A0A087XJ05_POEFO Loading...

Protocadherin-19

AlphaFold DB , UniProt , Accession A0A087XJ05, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,083 aa.

						>A0A087XJ05_POEFO|A0A087XJ05
MELIQLASVFLLFWVGTEAVINLKYGINEEMKPGSVIGNVTRDALKQGFQIAPQPPYLRVISNSEPRWVELSPAGILTTQMKIDRDVVCRQNPKCIISLEVMSNSMEICVIKVEIEDLNDNAPRFPTSHIDIEISENASPGTRFPLEGASDPDSGIFGVQSYSITPNELFGLEIKTRGDGSKIAELVVQKSLDRETQSHYTYEISAEDGGDPPKIGAVQLNIKVIDSNDNNPVFDEPVYTVNVMENSPVNTLVIDLNATDPDEGTNGEVVYSFNSYVTEKTREAFKIDPRTGIITVNSVLDYETTKIYEIDVQAKDLGPNSIPAHCKVTVNVMDTNDNPPVISLLSLNTEMVEVSENAQRGYVIALVRVSDKDSGANGKVKCTLQGNVPFRLQEYESFSTILVDGKLDREQKDTFNLTIQAEDSGIPQLRATKSLVVKVTDENDNPPHFLKPHYQEMVMENNLPGSCLLAVSAEDPDLGMNGTVSYSIVPGEIKHMDVNTYVSINPSGRIYSMRSFDHEYTRTFDFKVLARDNGNPSLSSNATVRIVVLDVNDNTPVMTNPPLVNGTAEVSIPRNAVVGYRVTQVKADDYDEGENGRLTYTISEGDRAFFEIDQVNGEVRSTRMFGENAKSTYEITVVARDHGKPSLSASAYIVVYLSPDLNAQETIGPVNLSLIFIIALGSIAAILFITMIFVAVKCKRDNKEIRTYNCRVAEYSYGNQKKSSKKKKLSKNDIRLVPRDVEETDKMNVVSCSSLTSSLNYFDYHQQSLPLGCRRSESTFLNVENQNSRNAAPNHGYQHSFTGQGHQQPDLIINGMPLPETENYSIDSSYVNSRAHLIKSTSTFKDLEGNSLKDSGHEESDQTDSEHDVQRGHYVDTAVNDMLNMTVPPNVCQLPDQDPGEGFHCQDECRILGHSDRCWMPRVSVPARAKSPEHARNVIALSIEATTVDVPHYEDGTIKRTFATFGKDGPEDVERGELKGKRTQESQVCSPKANGGAVREAGNGREAASPITSPVHLKSPMSKASSSYNTLKCRDAERIANHSLLRQPEGKDSEPAVREINTLLHDGRDKESPSSKRLKDIVL
					

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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	50.3	Low	49	Very low	227 Å²	227	140.5 Å²	140.5	100%	1.118	74%	0.735	S	S	*	*				0	119.7	0	-63.2	147.8	69.9	0	0	104.9
2	E	42	Very low	48.6	Very low	149 Å²	149	140.1 Å²	140.1	70%	0.696	73%	0.733	S	S	*	*			cis	-124.8	31.6	41.7	-63.5	171	148.6	0	0	115.1	I4 Q5	E2-I4 PolarHBondContact O-N 3.03Å; E2-Q5 PolarHBondContact O-N 3.33Å
3	L	45.4	Very low	48	Very low	169 Å²	169	144.4 Å²	144.4	89%	0.885	74%	0.742	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.8	5.1	176.7	-139.9	92.7	0	0	0	116.2
4	I	52.5	Low	47.5	Very low	133 Å²	133	152.2 Å²	152.2	68%	0.682	76%	0.758	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112	-16	-175.5	-65.6	172.8	0	0	0	111.4	E2 S8	E2-I4 PolarHBondContact O-N 3.03Å; I4-S8 PolarHBondContact O-OG 3.17Å
5	Q	50.7	Low	46.8	Very low	128 Å²	128	152.3 Å²	152.3	60%	0.598	77%	0.77	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.7	-20.2	-177.3	-84.1	-178.6	-38.6	0	0	115.5	E2 S8	E2-Q5 PolarHBondContact O-N 3.33Å; Q5-S8 PolarHBondContact O-OG 2.94Å
6	L	49.3	Very low	46.3	Very low	156 Å²	156	147.6 Å²	147.6	82%	0.817	77%	0.771	S	S	*	*	S	Bend	trans	-77.7	-26.1	169.4	-103.4	75.9	0	0	0	112.9	S8	L6-S8 PolarHBondContact O-N 3.46Å
7	A	52.5	Low	46	Very low	61 Å²	61	147 Å²	147	50%	0.504	78%	0.775	S	S	.	*	H	α-helix	trans	-65.8	-22.6	177	0	0	0	0	0	112.9	V9	A7-V9 VanDerWaalsContact C-N 3.32Å; A7-V9 PolarHBondContact O-N 2.81Å
8	S	49.2	Very low	45.8	Very low	71 Å²	71	149.3 Å²	149.3	50%	0.497	78%	0.781	S	S	.	*	H	α-helix	trans	-73.7	-15.4	-172.7	-42.9	0	0	0	0	114.9	I4 Q5 L6	I4-S8 PolarHBondContact O-OG 3.17Å; Q5-S8 PolarHBondContact O-OG 2.94Å; L6-S8 PolarHBondContact O-N 3.46Å
9	V	52.5	Low	46.1	Very low	106 Å²	106	145.1 Å²	145.1	64%	0.642	77%	0.77	S	S	*	*	H	α-helix	trans	-100.9	-30.9	-169.2	-177.4	0	0	0	0	112.9	A7	A7-V9 VanDerWaalsContact C-N 3.32Å; A7-V9 PolarHBondContact O-N 2.81Å
10	F	48.3	Very low	47	Very low	195 Å²	195	142.1 Å²	142.1	86%	0.855	76%	0.757	S	S	*	*	H	α-helix	trans	-86.7	-10.6	178	-106.1	-87.9	0	0	0	114.3	L12	F10-L12 PolarHBondContact O-N 2.82Å
11	L	46.2	Very low	48.1	Very low	150 Å²	150	136.6 Å²	136.6	79%	0.785	73%	0.728	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.9	12.4	-178.5	-114.5	165.5	0	0	0	114.4
12	L	44.9	Very low	49.5	Very low	136 Å²	136	129.8 Å²	129.8	71%	0.712	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.6	4.6	-169.7	-96.6	163.6	0	0	0	115.6	F10	F10-L12 PolarHBondContact O-N 2.82Å
13	F	41	Very low	51.5	Low	196 Å²	196	123 Å²	123	86%	0.86	67%	0.665	S	S	*	*	S	Bend	trans	-128.1	28.5	-178.3	-86.7	-77.2	0	0	0	114.4
14	W	40.2	Very low	53.4	Low	254 Å²	254	121.6 Å²	121.6	96%	0.962	65%	0.651	S	S	*	*			trans	-140	53.8	-178.9	-129.4	37.8	0	0	0	114.7
15	V	36.8	Very low	55.1	Low	154 Å²	154	116.6 Å²	116.6	93%	0.933	62%	0.624	S	S	*	*			trans	-135.7	112.6	158.7	-175.1	0	0	0	0	107.7
16	G	39.3	Very low	56.8	Low	76 Å²	76	112.2 Å²	112.2	78%	0.784	61%	0.613	S	S	*	*			trans	170.7	37.2	-171.6	0	0	0	0	0	114.1
17	T	40.6	Very low	58.8	Low	138 Å²	138	105.4 Å²	105.4	85%	0.847	58%	0.577	S	S	*	*			trans	-92.8	114.3	177.3	48.9	0	0	0	0	110.3
18	E	43.9	Very low	60.4	Low	188 Å²	188	105.8 Å²	105.8	88%	0.879	57%	0.571	S	S	*	*			trans	-64.4	132.4	167.6	-64.8	-177.1	155.5	0	0	110.1	V20	E18-V20 PolarHBondContact O-N 3.05Å
19	A	51.5	Low	62.3	Low	70 Å²	70	102.5 Å²	102.5	58%	0.579	55%	0.548	S	S	*	.			trans	-95.1	93.7	-173.9	0	0	0	0	0	111.5	I21	A19-I21 PolarHBondContact O-N 3.08Å; A19-I21 VanDerWaalsContact O-N 3.16Å
20	V	62.8	Low	63.9	Low	85 Å²	85	100.3 Å²	100.3	52%	0.515	53%	0.53	S	S	.	.			trans	-75	102.1	172.4	-178	0	0	0	0	109.9	E18 N22 V110	E18-V20 PolarHBondContact O-N 3.05Å; V20-N22 PolarHBondContact O-ND2 3.17Å; V20-V110 HydrophobicContact CG1-CG2 4.05Å
21	I	70.6	Confident	65.7	Low	26 Å²	26	94.7 Å²	94.7	13%	0.133	51%	0.508	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	128.4	-177.2	-64.1	-165.9	0	0	0	110.5	A19 Q47 F49 I108 C109 V110	A19-I21 PolarHBondContact O-N 3.08Å; A19-I21 VanDerWaalsContact O-N 3.16Å; I21-Q47 HydrophobicContact CD1-CB 4.48Å; I21-Q47 HydrophobicContact CG2-CB 4.3Å; I21-Q47 VanDerWaalsContact CG2-OE1 3.26Å; I21-F49 HydrophobicContact CB-CD2 4.47Å; I21-F49 HydrophobicContact CD1-CB 4.05Å; I21-F49 HydrophobicContact CD1-CD2 3.96Å; I21-F49 HydrophobicContact CG1-CD2 4.4Å; I21-I108 PolarHBondContact N-O 2.74Å; I21-C109 CarbonylContact O-C 3.57Å; I21-C109 VanDerWaalsContact O-CA 3.26Å; I21-C109 WeakPolarHBondContact O-CA 3.44Å; I21-C109 PolarHBondContact O-SG 3.23Å; I21-V110 PolarHBondContact O-N 2.87Å
22	N	79.4	Confident	67.5	Low	85 Å²	85	95.3 Å²	95.3	46%	0.455	50%	0.504	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	110.2	-179	-80.3	-108.8	0	0	0	110	V20 V110	V20-N22 PolarHBondContact O-ND2 3.17Å; N22-V110 CarbonylContact C-O 3.58Å; N22-V110 WeakPolarHBondContact CA-O 3.44Å
23	L	83.4	Confident	69.5	Low	7 Å²	7	92.9 Å²	92.9	4%	0.037	50%	0.497	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	144.2	173.1	-69.8	175.6	0	0	0	110.6	Y25 V40 A44 Q47 V110 I111 K112	L23-Y25 HydrophobicContact CB-CE2 4.09Å; L23-V40 HydrophobicContact CD1-CG1 3.71Å; L23-A44 HydrophobicContact CD1-CB 4.03Å; L23-Q47 HydrophobicContact CD2-CG 4.46Å; L23-V110 PolarHBondContact N-O 2.73Å; L23-I111 HydrophobicContact CB-CG1 4.43Å; L23-I111 WeakPolarHBondContact O-CA 3.49Å; L23-K112 PolarHBondContact O-N 3.02Å
24	K	86.8	Confident	71.5	Confident	138 Å²	138	86 Å²	86	60%	0.6	48%	0.481	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.7	139.6	174.9	-82.3	-174.4	156.2	-124.5	0	110.3	K112 E114	K24-K112 WeakPolarHBondContact CA-O 2.91Å; K24-K112 HydrophobicContact CG-CB 4.48Å; K24-E114 IonicContact NZ-OE2 3.7Å; K24-E114 PolarHBondContact NZ-OE2 2.77Å
25	Y	87.9	Confident	73.7	Confident	29 Å²	29	75 Å²	75	11%	0.114	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	143.2	168.8	-61	-80.5	0	0	0	109.2	L23 I37 V40 L77 I111 K112 V113 E114	L23-Y25 HydrophobicContact CB-CE2 4.09Å; Y25-I37 VanDerWaalsContact CB-CG2 3.47Å; Y25-I37 HydrophobicContact CD1-CG2 4.32Å; Y25-I37 HydrophobicContact CG-CG2 3.87Å; Y25-V40 HydrophobicContact CE2-CG2 4.13Å; Y25-V40 WeakPolarHBondContact OH-CA 3.49Å; Y25-L77 HydrophobicContact CD2-CD2 4.19Å; Y25-I111 HydrophobicContact CD2-CG2 3.67Å; Y25-I111 HydrophobicContact CE2-CG2 3.8Å; Y25-K112 PolarHBondContact N-O 3.36Å; Y25-V113 CarbonylContact O-C 3.52Å; Y25-V113 WeakPolarHBondContact O-CA 3.18Å; Y25-E114 PolarHBondContact O-N 3.49Å
26	G	86.3	Confident	76.1	Confident	36 Å²	36	72.4 Å²	72.4	37%	0.371	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	147.2	162.5	0	0	0	0	0	109.9	E114 E116	G26-E114 WeakPolarHBondContact CA-O 3.45Å; G26-E116 WeakPolarHBondContact CA-OE1 3.5Å
27	I	89.8	Confident	78.4	Confident	12 Å²	12	69.8 Å²	69.8	6%	0.062	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	134.1	160.6	-164.9	-163.3	0	0	0	108.9	M31 I37 T79 V113 E114 I115 E116	I27-M31 HydrophobicContact CD1-CB 3.78Å; I27-M31 HydrophobicContact CD1-CG 3.85Å; I27-M31 HydrophobicContact CG1-CG 4.1Å; I27-I37 HydrophobicContact CB-CG1 4.16Å; I27-I37 HydrophobicContact CD1-CD1 4.44Å; I27-I37 HydrophobicContact CD1-CG1 3.75Å; I27-I37 HydrophobicContact CG1-CG1 4.24Å; I27-I37 HydrophobicContact CG2-CG1 4.34Å; I27-T79 HydrophobicContact CD1-CG2 3.52Å; I27-V113 HydrophobicContact CG2-CG1 3.74Å; I27-E114 PolarHBondContact N-O 2.63Å; I27-E114 VanDerWaalsContact N-O 3.09Å; I27-I115 CarbonylContact O-C 3.52Å; I27-I115 WeakPolarHBondContact O-CA 3.28Å; I27-E116 PolarHBondContact O-N 2.84Å
28	N	87.3	Confident	80.5	Confident	70 Å²	70	63.8 Å²	63.8	37%	0.374	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.3	148.4	166.4	-52.6	69.9	0	0	0	110.7	M31 E116 L118	N28-M31 HydrophobicContact CB-CG 4.34Å; N28-M31 WeakPolarHBondContact O-CG 3.45Å; N28-E116 WeakPolarHBondContact CA-O 3.25Å; N28-L118 HydrophobicContact CB-CD1 4.23Å; N28-L118 HydrophobicContact CB-CD2 4.24Å; N28-L118 HydrophobicContact CB-CG 4.23Å
29	E	87.9	Confident	82.5	Confident	2 Å²	2	57 Å²	57	1%	0.009	33%	0.33	C	S	.	.	S	Bend	trans	-68.9	-175.9	165.5	67.8	-174.8	105.2	0	0	113.1	M31 I83 R85 I115 E116 L118	E29-M31 PolarHBondContact O-N 3.06Å; E29-I83 WeakPolarHBondContact CB-O 3.33Å; E29-R85 HydrophobicContact CB-CB 4.08Å; E29-R85 HydrophobicContact CG-CB 4.35Å; E29-R85 WeakPolarHBondContact OE1-CB 3.38Å; E29-R85 WeakPolarHBondContact OE1-CD 3.27Å; E29-R85 IonicContact OE1-CZ 3.56Å; E29-R85 IonicContact OE1-NE 3.54Å; E29-R85 PolarHBondContact OE1-NE 3.2Å; E29-R85 WeakPolarHBondContact OE2-CA 3.26Å; E29-R85 WeakPolarHBondContact OE2-CB 3.43Å; E29-R85 PolarHBondContact OE2-N 3.12Å; E29-I115 HydrophobicContact CB-CG2 3.86Å; E29-E116 PolarHBondContact N-O 3.19Å; E29-E116 VanDerWaalsContact N-O 3.12Å; E29-L118 HydrophobicContact CG-CB 3.89Å; E29-L118 HydrophobicContact CG-CD1 3.98Å; E29-L118 HydrophobicContact CG-CG 3.91Å; E29-L118 WeakPolarHBondContact O-CD1 3.27Å; E29-L118 PolarHBondContact OE1-N 2.82Å
30	E	86.6	Confident	84	Confident	59 Å²	59	53.7 Å²	53.7	28%	0.276	30%	0.303	S	S	.	.	S	Bend	trans	59.5	-4.4	-175.2	-66.4	-60.6	87.9	0	0	116.5	K32 K82 I83 L118	E30-K32 PolarHBondContact O-N 2.85Å; E30-K82 VanDerWaalsContact CD-CE 3.49Å; E30-K82 VanDerWaalsContact OE1-CE 3.25Å; E30-K82 WeakPolarHBondContact OE1-CE 3.36Å; E30-K82 IonicContact OE1-NZ 2.66Å; E30-K82 PolarHBondContact OE1-NZ 3.33Å; E30-K82 WeakPolarHBondContact OE2-CE 3.19Å; E30-K82 IonicContact OE2-NZ 2.93Å; E30-K82 PolarHBondContact OE2-NZ 2.95Å; E30-I83 PolarHBondContact N-O 3.41Å; E30-L118 HydrophobicContact CB-CD1 4.11Å; E30-L118 HydrophobicContact CG-CD1 4.4Å
31	M	85.8	Confident	84.7	Confident	77 Å²	77	50.3 Å²	50.3	38%	0.379	28%	0.283	S	S	.	.	P	Polyproline II helix	trans	-61.4	131.6	-177.2	-73.4	-65.4	-70.6	0	0	112.3	I27 N28 E29	I27-M31 HydrophobicContact CD1-CB 3.78Å; I27-M31 HydrophobicContact CD1-CG 3.85Å; I27-M31 HydrophobicContact CG1-CG 4.1Å; N28-M31 HydrophobicContact CB-CG 4.34Å; N28-M31 WeakPolarHBondContact O-CG 3.45Å; E29-M31 PolarHBondContact O-N 3.06Å
32	K	85.6	Confident	85.2	Confident	163 Å²	163	55.4 Å²	55.4	71%	0.709	30%	0.3	S	S	*	.	P	Polyproline II helix	trans	-60.1	147.2	-176	-65.2	174.4	-177.1	172.2	0	111.2	E30 S35 T79	E30-K32 PolarHBondContact O-N 2.85Å; K32-S35 VanDerWaalsContact O-CB 3.27Å; K32-S35 WeakPolarHBondContact O-CB 3.47Å; K32-S35 PolarHBondContact O-N 2.87Å; K32-S35 PolarHBondContact O-OG 3.46Å; K32-T79 PolarHBondContact O-OG1 2.86Å
33	P	85.8	Confident	85.3	Confident	85 Å²	85	52.6 Å²	52.6	55%	0.552	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.2	140.2	172.1	-24.6	33.3	0	0	0	112.1
34	G	82.6	Confident	84.9	Confident	51 Å²	51	52.2 Å²	52.2	53%	0.526	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.5	4.6	-175	0	0	0	0	0	115	T79	G34-T79 WeakPolarHBondContact CA-O 3.49Å; G34-T79 PolarHBondContact N-O 3.33Å; G34-T79 PolarHBondContact N-OG1 3.46Å
35	S	87.7	Confident	84.2	Confident	25 Å²	25	50 Å²	50	18%	0.175	28%	0.277	C	S	.	.			trans	-70.6	132.7	177.3	-64.2	0	0	0	0	111.1	K32 T78 T79	K32-S35 VanDerWaalsContact O-CB 3.27Å; K32-S35 WeakPolarHBondContact O-CB 3.47Å; K32-S35 PolarHBondContact O-N 2.87Å; K32-S35 PolarHBondContact O-OG 3.46Å; S35-T78 CarbonylContact O-C 3.53Å; S35-T78 WeakPolarHBondContact O-CA 3.27Å; S35-T79 PolarHBondContact N-OG1 3.18Å; S35-T79 PolarHBondContact O-N 3.43Å
36	V	87.1	Confident	83.6	Confident	98 Å²	98	55.6 Å²	55.6	59%	0.594	30%	0.302	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81	118.6	-176.4	174.8	0	0	0	0	110.9	I76 T78	V36-I76 HydrophobicContact CB-CG2 4.37Å; V36-I76 HydrophobicContact CG1-CG2 3.54Å; V36-I76 HydrophobicContact CG2-CG2 4Å; V36-T78 HydrophobicContact CG2-CG2 3.86Å
37	I	86.8	Confident	82.8	Confident	22 Å²	22	59.1 Å²	59.1	11%	0.113	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	-43.5	174.4	-66.1	157	0	0	0	110.5	Y25 I27 V69 L77 T79	Y25-I37 VanDerWaalsContact CB-CG2 3.47Å; Y25-I37 HydrophobicContact CD1-CG2 4.32Å; Y25-I37 HydrophobicContact CG-CG2 3.87Å; I27-I37 HydrophobicContact CB-CG1 4.16Å; I27-I37 HydrophobicContact CD1-CD1 4.44Å; I27-I37 HydrophobicContact CD1-CG1 3.75Å; I27-I37 HydrophobicContact CG1-CG1 4.24Å; I27-I37 HydrophobicContact CG2-CG1 4.34Å; I37-V69 HydrophobicContact CD1-CB 4.25Å; I37-V69 HydrophobicContact CD1-CG1 3.54Å; I37-L77 HydrophobicContact CB-CB 4.33Å; I37-L77 HydrophobicContact CB-CD2 4.15Å; I37-L77 HydrophobicContact CB-CG 4.12Å; I37-L77 HydrophobicContact CD1-CD2 4.21Å; I37-L77 HydrophobicContact CD1-CG 3.94Å; I37-L77 HydrophobicContact CG2-CD2 3.89Å; I37-L77 HydrophobicContact CG2-CG 4.42Å; I37-L77 PolarHBondContact N-O 3.32Å; I37-T79 HydrophobicContact CD1-CG2 4.2Å; I37-T79 HydrophobicContact CG1-CG2 4.49Å
38	G	85.3	Confident	81.6	Confident	12 Å²	12	61.2 Å²	61.2	12%	0.124	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	178.8	170.2	-176.3	0	0	0	0	0	114.4	I76 L77	G38-I76 WeakPolarHBondContact O-CA 3.25Å; G38-L77 PolarHBondContact O-N 2.82Å
39	N	85.9	Confident	80.8	Confident	45 Å²	45	58.1 Å²	58.1	24%	0.241	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	92.3	174.7	-170.9	-47	0	0	0	109.6	T41 R42 D43	N39-T41 PolarHBondContact O-N 2.83Å; N39-T41 PolarHBondContact OD1-N 2.89Å; N39-R42 HydrophobicContact CB-CB 4.07Å; N39-R42 PolarHBondContact O-N 2.84Å; N39-R42 VanDerWaalsContact OD1-CB 3.27Å; N39-R42 WeakPolarHBondContact OD1-CB 3.43Å; N39-R42 PolarHBondContact OD1-N 3.41Å; N39-D43 PolarHBondContact O-N 3.48Å
40	V	83.6	Confident	79.6	Confident	1 Å²	1	64.5 Å²	64.5	1%	0.006	35%	0.347	C	S	.	.	H	α-helix	trans	-61.8	-42.2	-176.2	-171.3	0	0	0	0	111	L23 Y25 R42 D43 A44 L58 L71 G75 L77 I111	L23-V40 HydrophobicContact CD1-CG1 3.71Å; Y25-V40 HydrophobicContact CE2-CG2 4.13Å; Y25-V40 WeakPolarHBondContact OH-CA 3.49Å; V40-R42 PolarHBondContact O-N 2.85Å; V40-D43 PolarHBondContact O-N 3Å; V40-A44 WeakPolarHBondContact O-CB 3.45Å; V40-A44 PolarHBondContact O-N 3.02Å; V40-L58 HydrophobicContact CB-CD1 3.91Å; V40-L58 HydrophobicContact CG1-CD1 3.54Å; V40-L71 HydrophobicContact CB-CD1 4.1Å; V40-L71 HydrophobicContact CG2-CD1 3.68Å; V40-G75 WeakPolarHBondContact CB-O 3.44Å; V40-G75 PolarHBondContact N-O 3.39Å; V40-L77 HydrophobicContact CG2-CB 3.8Å; V40-L77 HydrophobicContact CG2-CD2 4.44Å; V40-I111 HydrophobicContact CG1-CD1 3.67Å; V40-I111 HydrophobicContact CG1-CG1 4.21Å; V40-I111 HydrophobicContact CG2-CD1 4.15Å
41	T	77.3	Confident	78.5	Confident	14 Å²	14	63.3 Å²	63.3	9%	0.086	34%	0.342	C	S	.	.	H	α-helix	trans	-59.2	-47.5	177.4	-73.5	0	0	0	0	112.1	N39 L45 I51 Y57 G75	N39-T41 PolarHBondContact O-N 2.83Å; N39-T41 PolarHBondContact OD1-N 2.89Å; T41-L45 HydrophobicContact CG2-CD1 4.31Å; T41-L45 WeakPolarHBondContact O-CB 3.42Å; T41-L45 WeakPolarHBondContact O-CD1 3.43Å; T41-L45 WeakPolarHBondContact O-CG 3.46Å; T41-L45 PolarHBondContact O-N 3.41Å; T41-I51 HydrophobicContact CG2-CD1 3.78Å; T41-I51 HydrophobicContact CG2-CG2 4.36Å; T41-I51 WeakPolarHBondContact O-CD1 3.39Å; T41-Y57 HydrophobicContact CG2-CD2 4.04Å; T41-Y57 HydrophobicContact CG2-CG 4.12Å; T41-Y57 WeakPolarHBondContact OG1-CB 3.36Å; T41-G75 PolarHBondContact N-O 3.31Å; T41-G75 WeakPolarHBondContact OG1-CA 3.34Å
42	R	79.4	Confident	77.3	Confident	132 Å²	132	61.4 Å²	61.4	50%	0.498	34%	0.339	S	S	.	.	H	α-helix	trans	-63.7	-43.8	178.3	-177.4	-166.5	69.6	-168.3	-5.7	112.2	N39 V40 K46	N39-R42 HydrophobicContact CB-CB 4.07Å; N39-R42 PolarHBondContact O-N 2.84Å; N39-R42 VanDerWaalsContact OD1-CB 3.27Å; N39-R42 WeakPolarHBondContact OD1-CB 3.43Å; N39-R42 PolarHBondContact OD1-N 3.41Å; V40-R42 PolarHBondContact O-N 2.85Å; R42-K46 WeakPolarHBondContact O-CG 3.43Å; R42-K46 PolarHBondContact O-N 2.87Å
43	D	82.1	Confident	76	Confident	26 Å²	26	59.7 Å²	59.7	14%	0.139	34%	0.344	C	S	.	.	H	α-helix	trans	-88	-23.6	-169.9	-60.2	-36.4	0	0	0	112.6	N39 V40 K46 Q47	N39-D43 PolarHBondContact O-N 3.48Å; V40-D43 PolarHBondContact O-N 3Å; D43-K46 WeakPolarHBondContact OD1-CE 3.49Å; D43-K46 IonicContact OD1-NZ 2.75Å; D43-K46 PolarHBondContact OD1-NZ 3.38Å; D43-Q47 PolarHBondContact O-N 3.23Å
44	A	75	Confident	74.8	Confident	0 Å²	0	62.8 Å²	62.8	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-64.6	-46.3	162.5	0	0	0	0	0	111.8	L23 V40 K46 Q47 G48 F49 I51	L23-A44 HydrophobicContact CD1-CB 4.03Å; V40-A44 WeakPolarHBondContact O-CB 3.45Å; V40-A44 PolarHBondContact O-N 3.02Å; A44-K46 VanDerWaalsContact C-N 3.25Å; A44-K46 PolarHBondContact O-N 2.8Å; A44-Q47 CarbonylContact O-C 3.59Å; A44-Q47 WeakPolarHBondContact O-CA 3.44Å; A44-Q47 PolarHBondContact O-N 2.79Å; A44-G48 PolarHBondContact O-N 2.64Å; A44-F49 HydrophobicContact CB-CB 3.82Å; A44-F49 HydrophobicContact CB-CD1 3.93Å; A44-F49 HydrophobicContact CB-CG 4.1Å; A44-F49 VanDerWaalsContact O-CB 3.26Å; A44-F49 WeakPolarHBondContact O-CB 3.44Å; A44-F49 PolarHBondContact O-N 3.24Å; A44-F49 VanDerWaalsContact O-N 3.16Å; A44-I51 HydrophobicContact CB-CD1 4.43Å
45	L	73.3	Confident	73.7	Confident	90 Å²	90	64.1 Å²	64.1	47%	0.471	35%	0.351	S	S	.	.	H	α-helix	trans	-55.7	-39.4	175.9	-87.4	164	0	0	0	112.3	T41 Q47 G48 I51	T41-L45 HydrophobicContact CG2-CD1 4.31Å; T41-L45 WeakPolarHBondContact O-CB 3.42Å; T41-L45 WeakPolarHBondContact O-CD1 3.43Å; T41-L45 WeakPolarHBondContact O-CG 3.46Å; T41-L45 PolarHBondContact O-N 3.41Å; L45-Q47 VanDerWaalsContact C-N 3.26Å; L45-Q47 PolarHBondContact O-N 2.92Å; L45-G48 PolarHBondContact O-N 3.28Å; L45-G48 VanDerWaalsContact O-N 3.09Å; L45-I51 HydrophobicContact CD1-CB 4.44Å; L45-I51 HydrophobicContact CD1-CD1 4.3Å; L45-I51 HydrophobicContact CD2-CB 4.14Å; L45-I51 HydrophobicContact CD2-CG1 4.33Å; L45-I51 HydrophobicContact CG-CB 4.23Å; L45-I51 HydrophobicContact CG-CD1 3.95Å; L45-I51 HydrophobicContact CG-CG1 4.1Å
46	K	73.6	Confident	72.1	Confident	148 Å²	148	66.5 Å²	66.5	64%	0.643	37%	0.365	S	S	*	.	H	α-helix	trans	-65.1	-26.4	175	-71.8	173.5	-174	162.9	0	113.9	R42 D43 A44 G48	R42-K46 WeakPolarHBondContact O-CG 3.43Å; R42-K46 PolarHBondContact O-N 2.87Å; D43-K46 WeakPolarHBondContact OD1-CE 3.49Å; D43-K46 IonicContact OD1-NZ 2.75Å; D43-K46 PolarHBondContact OD1-NZ 3.38Å; A44-K46 VanDerWaalsContact C-N 3.25Å; A44-K46 PolarHBondContact O-N 2.8Å; K46-G48 VanDerWaalsContact C-N 3.3Å
47	Q	70.1	Confident	71.2	Confident	109 Å²	109	64.9 Å²	64.9	51%	0.509	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	7.8	174.4	-65.1	-167.5	-4	0	0	112.9	I21 L23 D43 A44 L45	I21-Q47 HydrophobicContact CD1-CB 4.48Å; I21-Q47 HydrophobicContact CG2-CB 4.3Å; I21-Q47 VanDerWaalsContact CG2-OE1 3.26Å; L23-Q47 HydrophobicContact CD2-CG 4.46Å; D43-Q47 PolarHBondContact O-N 3.23Å; A44-Q47 CarbonylContact O-C 3.59Å; A44-Q47 WeakPolarHBondContact O-CA 3.44Å; A44-Q47 PolarHBondContact O-N 2.79Å; L45-Q47 VanDerWaalsContact C-N 3.26Å; L45-Q47 PolarHBondContact O-N 2.92Å
48	G	64.8	Low	70.6	Confident	57 Å²	57	64.5 Å²	64.5	59%	0.588	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.1	5	175.1	0	0	0	0	0	115.4	A44 L45 K46	A44-G48 PolarHBondContact O-N 2.64Å; L45-G48 PolarHBondContact O-N 3.28Å; L45-G48 VanDerWaalsContact O-N 3.09Å; K46-G48 VanDerWaalsContact C-N 3.3Å
49	F	69.9	Low	70.1	Confident	4 Å²	4	72.9 Å²	72.9	2%	0.018	38%	0.375	C	S	.	.			trans	-66.2	133.7	179.8	-163.4	-109.3	0	0	0	111.8	I21 A44 I51 L58 E107 C109	I21-F49 HydrophobicContact CB-CD2 4.47Å; I21-F49 HydrophobicContact CD1-CB 4.05Å; I21-F49 HydrophobicContact CD1-CD2 3.96Å; I21-F49 HydrophobicContact CG1-CD2 4.4Å; A44-F49 HydrophobicContact CB-CB 3.82Å; A44-F49 HydrophobicContact CB-CD1 3.93Å; A44-F49 HydrophobicContact CB-CG 4.1Å; A44-F49 VanDerWaalsContact O-CB 3.26Å; A44-F49 WeakPolarHBondContact O-CB 3.44Å; A44-F49 PolarHBondContact O-N 3.24Å; A44-F49 VanDerWaalsContact O-N 3.16Å; F49-I51 HydrophobicContact CD1-CD1 4.15Å; F49-I51 HydrophobicContact CD1-CG1 3.82Å; F49-I51 HydrophobicContact CE1-CG1 4.42Å; F49-I51 PolarHBondContact O-N 3.34Å; F49-L58 HydrophobicContact CD1-CD2 4.34Å; F49-L58 HydrophobicContact CE1-CD2 3.52Å; F49-L58 HydrophobicContact CZ-CD2 4.28Å; F49-E107 HydrophobicContact CD2-CB 4.28Å; F49-E107 HydrophobicContact CE2-CB 3.55Å; F49-E107 HydrophobicContact CZ-CB 4.03Å; F49-C109 HydrophobicContact CE2-CB 3.98Å; F49-C109 HydrophobicContact CZ-CB 4.02Å
50	Q	63.3	Low	69.9	Low	136 Å²	136	73.5 Å²	73.5	64%	0.636	38%	0.38	S	S	*	.			trans	-86.9	112	-173.7	-63.2	-169.6	39.6	0	0	111.9	E107	Q50-E107 PolarHBondContact N-OE2 3.28Å
51	I	63	Low	69.8	Low	34 Å²	34	77.4 Å²	77.4	17%	0.174	40%	0.4	C	S	.	.			trans	-111.2	127.7	-179.9	-59	-168.3	0	0	0	111	T41 A44 L45 F49 Y57	T41-I51 HydrophobicContact CG2-CD1 3.78Å; T41-I51 HydrophobicContact CG2-CG2 4.36Å; T41-I51 WeakPolarHBondContact O-CD1 3.39Å; A44-I51 HydrophobicContact CB-CD1 4.43Å; L45-I51 HydrophobicContact CD1-CB 4.44Å; L45-I51 HydrophobicContact CD1-CD1 4.3Å; L45-I51 HydrophobicContact CD2-CB 4.14Å; L45-I51 HydrophobicContact CD2-CG1 4.33Å; L45-I51 HydrophobicContact CG-CB 4.23Å; L45-I51 HydrophobicContact CG-CD1 3.95Å; L45-I51 HydrophobicContact CG-CG1 4.1Å; F49-I51 HydrophobicContact CD1-CD1 4.15Å; F49-I51 HydrophobicContact CD1-CG1 3.82Å; F49-I51 HydrophobicContact CE1-CG1 4.42Å; F49-I51 PolarHBondContact O-N 3.34Å; I51-Y57 HydrophobicContact CG2-CD1 3.46Å; I51-Y57 VanDerWaalsContact CG2-CD1 3.46Å; I51-Y57 HydrophobicContact CG2-CE1 4.4Å; I51-Y57 HydrophobicContact CG2-CG 3.85Å
52	A	60.6	Low	70	Confident	38 Å²	38	79.4 Å²	79.4	31%	0.314	42%	0.415	S	S	.	.			trans	-68.6	152	179	0	0	0	0	0	112.3	Q54 Y57 N104	A52-Q54 PolarHBondContact O-N 2.75Å; A52-Y57 VanDerWaalsContact O-CD1 3.27Å; A52-Y57 WeakPolarHBondContact O-CD1 3.3Å; A52-Y57 VanDerWaalsContact O-CE1 3.28Å; A52-Y57 WeakPolarHBondContact O-CE1 3.44Å; A52-N104 HydrophobicContact CB-CB 4.46Å
53	P	58.6	Low	70.1	Confident	126 Å²	126	74.5 Å²	74.5	82%	0.818	40%	0.398	S	S	*	.	S	Bend	trans	-73.6	5.3	-172.3	29.4	-36.8	0	0	0	115.9
54	Q	60.6	Low	69.9	Low	151 Å²	151	74.5 Å²	74.5	71%	0.706	40%	0.401	S	S	*	.	S	Bend	trans	-133.8	141.9	178.6	-65.9	-172.8	-2.1	0	0	111.5	A52 Y57	A52-Q54 PolarHBondContact O-N 2.75Å; Q54-Y57 VanDerWaalsContact C-CE1 3.49Å
55	P	59.8	Low	69.8	Low	79 Å²	79	82 Å²	82	51%	0.513	44%	0.435	S	S	.	.	S	Bend	trans	-78.5	158.1	178.8	32.5	-35.2	0	0	0	112.5	Y57	P55-Y57 HydrophobicContact CB-CD2 4.12Å; P55-Y57 HydrophobicContact CB-CE1 4.41Å; P55-Y57 HydrophobicContact CB-CE2 3.85Å
56	P	54.7	Low	69.9	Low	74 Å²	74	81.1 Å²	81.1	48%	0.481	44%	0.435	S	S	.	.			cis	-70.8	135.2	-1	29.4	-34.8	0	0	0	112.1	N104	P56-N104 PolarHBondContact O-ND2 2.66Å
57	Y	66.7	Low	70.2	Confident	64 Å²	64	80.8 Å²	80.8	25%	0.251	43%	0.43	S	S	.	.			trans	-78.6	-24.7	-175.5	-63.9	-58.3	0	0	0	113.5	T41 I51 A52 Q54 P55	T41-Y57 HydrophobicContact CG2-CD2 4.04Å; T41-Y57 HydrophobicContact CG2-CG 4.12Å; T41-Y57 WeakPolarHBondContact OG1-CB 3.36Å; I51-Y57 HydrophobicContact CG2-CD1 3.46Å; I51-Y57 VanDerWaalsContact CG2-CD1 3.46Å; I51-Y57 HydrophobicContact CG2-CE1 4.4Å; I51-Y57 HydrophobicContact CG2-CG 3.85Å; A52-Y57 VanDerWaalsContact O-CD1 3.27Å; A52-Y57 WeakPolarHBondContact O-CD1 3.3Å; A52-Y57 VanDerWaalsContact O-CE1 3.28Å; A52-Y57 WeakPolarHBondContact O-CE1 3.44Å; Q54-Y57 VanDerWaalsContact C-CE1 3.49Å; P55-Y57 HydrophobicContact CB-CD2 4.12Å; P55-Y57 HydrophobicContact CB-CE1 4.41Å; P55-Y57 HydrophobicContact CB-CE2 3.85Å
58	L	74.3	Confident	70.8	Confident	14 Å²	14	77.1 Å²	77.1	7%	0.073	41%	0.411	C	S	.	.			trans	-142.7	141.5	-176.1	-65	170.6	0	0	0	108.3	V40 F49 L71 V101 M102	V40-L58 HydrophobicContact CB-CD1 3.91Å; V40-L58 HydrophobicContact CG1-CD1 3.54Å; F49-L58 HydrophobicContact CD1-CD2 4.34Å; F49-L58 HydrophobicContact CE1-CD2 3.52Å; F49-L58 HydrophobicContact CZ-CD2 4.28Å; L58-L71 HydrophobicContact CB-CD2 3.83Å; L58-L71 HydrophobicContact CD1-CD2 3.99Å; L58-V101 HydrophobicContact CB-CB 4.48Å; L58-V101 HydrophobicContact CD1-CG2 4.4Å; L58-V101 HydrophobicContact CD2-CG2 4.12Å; L58-M102 WeakPolarHBondContact CA-O 3.16Å
59	R	76.4	Confident	71.8	Confident	189 Å²	189	74.4 Å²	74.4	71%	0.713	38%	0.384	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.3	125	175.2	178.5	-179.9	176.9	179.8	-0	109.8	I61 V101 M102	R59-I61 PolarHBondContact O-N 2.88Å; R59-V101 CarbonylContact O-C 3.33Å; R59-V101 VanDerWaalsContact O-CA 3.3Å; R59-V101 WeakPolarHBondContact O-CA 3.49Å; R59-M102 PolarHBondContact N-O 2.74Å; R59-M102 PolarHBondContact O-N 3.46Å
60	V	80.6	Confident	72.6	Confident	58 Å²	58	79 Å²	79	35%	0.352	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	128.6	173.8	-178.6	0	0	0	0	110.2	N63 L71 L99 V101	V60-N63 HydrophobicContact CG1-CB 4.27Å; V60-L71 HydrophobicContact CG2-CB 4.14Å; V60-L99 HydrophobicContact CG1-CD1 3.62Å; V60-L99 HydrophobicContact CG2-CD1 4.09Å; V60-V101 HydrophobicContact CG2-CG1 4.23Å
61	I	81.6	Confident	73.6	Confident	82 Å²	82	73.4 Å²	73.4	42%	0.421	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	-53.7	173.8	-48.6	167.2	0	0	0	108.9	R59 E100 M102 I108	R59-I61 PolarHBondContact O-N 2.88Å; I61-E100 HydrophobicContact CB-CB 4.26Å; I61-E100 HydrophobicContact CD1-CB 4.33Å; I61-E100 PolarHBondContact N-O 2.8Å; I61-M102 HydrophobicContact CD1-CB 3.84Å; I61-M102 HydrophobicContact CD1-CE 3.98Å; I61-M102 HydrophobicContact CG1-CB 3.82Å; I61-M102 HydrophobicContact CG1-CE 4.45Å; I61-I108 HydrophobicContact CD1-CB 4.43Å; I61-I108 HydrophobicContact CD1-CD1 4.14Å; I61-I108 HydrophobicContact CD1-CG1 3.92Å; I61-I108 HydrophobicContact CD1-CG2 3.87Å
62	S	82.2	Confident	74.5	Confident	56 Å²	56	73.5 Å²	73.5	39%	0.392	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	142.9	-174	-173.2	0	0	0	0	109.1	E100	S62-E100 WeakPolarHBondContact CB-OE2 3.24Å; S62-E100 PolarHBondContact N-O 3.38Å; S62-E100 PolarHBondContact O-N 2.83Å
63	N	81.5	Confident	75.2	Confident	29 Å²	29	76.3 Å²	76.3	16%	0.155	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	144.8	174	-167.3	3.2	0	0	0	107.2	V60 V69 L99	V60-N63 HydrophobicContact CG1-CB 4.27Å; N63-V69 PolarHBondContact ND2-O 3.29Å; N63-L99 HydrophobicContact CB-CD1 3.65Å; N63-L99 VanDerWaalsContact CG-CD1 3.46Å
64	S	77.9	Confident	75.8	Confident	27 Å²	27	72.8 Å²	72.8	19%	0.189	38%	0.38	C	S	.	.			trans	-63	145.2	176.6	-52.2	0	0	0	0	109.9	P66 S98	S64-P66 CarbonylContact O-C 3.52Å; S64-P66 VanDerWaalsContact O-O 3.06Å; S64-S98 PolarHBondContact N-O 2.83Å; S64-S98 PolarHBondContact OG-N 2.87Å; S64-S98 PolarHBondContact OG-O 2.92Å
65	E	73.3	Confident	76.7	Confident	156 Å²	156	65.7 Å²	65.7	73%	0.729	35%	0.347	S	S	*	.	S	Bend	trans	-104.4	137.3	175.6	-65.2	-159.9	144.6	0	0	110.8
66	P	74.6	Confident	77.8	Confident	72 Å²	72	64.5 Å²	64.5	47%	0.468	34%	0.336	S	S	.	.	S	Bend	cis	-65.5	156.6	-8.5	29.4	-36.7	0	0	0	112.9	S64 W68 M81	S64-P66 CarbonylContact O-C 3.52Å; S64-P66 VanDerWaalsContact O-O 3.06Å; P66-W68 VanDerWaalsContact C-N 3.35Å; P66-W68 HydrophobicContact CG-CD2 4.41Å; P66-W68 HydrophobicContact CG-CH2 4.38Å; P66-W68 HydrophobicContact CG-CZ2 3.72Å; P66-W68 PolarHBondContact O-N 3.05Å; P66-M81 HydrophobicContact CB-CE 4.48Å
67	R	80.6	Confident	79.4	Confident	142 Å²	142	61 Å²	61	54%	0.536	31%	0.313	S	S	.	.			trans	-75.8	80.7	-171.8	-63.3	-179.9	-171.6	175.3	4	112	V69 Q80	R67-V69 VanDerWaalsContact C-N 3.3Å; R67-V69 PolarHBondContact O-N 3.37Å; R67-Q80 PolarHBondContact O-OE1 2.83Å
68	W	82.4	Confident	80.4	Confident	31 Å²	31	59.3 Å²	59.3	12%	0.117	31%	0.309	C	S	.	.			trans	-65.8	-29.6	-179.8	-63	-73.9	0	0	0	114.2	P66 Q80 I83 V88 I97	P66-W68 VanDerWaalsContact C-N 3.35Å; P66-W68 HydrophobicContact CG-CD2 4.41Å; P66-W68 HydrophobicContact CG-CH2 4.38Å; P66-W68 HydrophobicContact CG-CZ2 3.72Å; P66-W68 PolarHBondContact O-N 3.05Å; W68-Q80 PolarHBondContact O-N 2.82Å; W68-I83 HydrophobicContact CB-CD1 3.9Å; W68-I83 HydrophobicContact CB-CG1 4.06Å; W68-I83 HydrophobicContact CG-CG1 4.35Å; W68-V88 HydrophobicContact CH2-CG1 3.78Å; W68-V88 HydrophobicContact CZ2-CB 4.28Å; W68-V88 HydrophobicContact CZ2-CG1 3.47Å; W68-V88 VanDerWaalsContact CZ2-CG1 3.47Å; W68-V88 HydrophobicContact CZ2-CG2 3.7Å; W68-I97 HydrophobicContact CB-CD1 3.76Å; W68-I97 HydrophobicContact CD2-CD1 3.66Å; W68-I97 HydrophobicContact CD2-CG1 4.38Å; W68-I97 HydrophobicContact CE3-CD1 3.38Å; W68-I97 HydrophobicContact CE3-CG1 3.64Å; W68-I97 HydrophobicContact CE3-CG2 4.3Å; W68-I97 HydrophobicContact CG-CD1 3.87Å; W68-I97 HydrophobicContact CZ3-CD1 4.17Å; W68-I97 HydrophobicContact CZ3-CG1 3.97Å
69	V	85.4	Confident	81	Confident	0 Å²	0	58.8 Å²	58.8	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	143.4	-176.4	-59.6	0	0	0	0	111.8	I37 N63 R67 L77 T78 I83 I97 L99	I37-V69 HydrophobicContact CD1-CB 4.25Å; I37-V69 HydrophobicContact CD1-CG1 3.54Å; N63-V69 PolarHBondContact ND2-O 3.29Å; R67-V69 VanDerWaalsContact C-N 3.3Å; R67-V69 PolarHBondContact O-N 3.37Å; V69-L77 HydrophobicContact CB-CD1 4.08Å; V69-L77 HydrophobicContact CG2-CD1 4.21Å; V69-T78 WeakPolarHBondContact CA-O 3.26Å; V69-I83 HydrophobicContact CG1-CD1 4.5Å; V69-I97 HydrophobicContact CG2-CG2 4.27Å; V69-L99 HydrophobicContact CG2-CD2 4.41Å
70	E	86.5	Confident	81.5	Confident	100 Å²	100	53.6 Å²	53.6	47%	0.467	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	135.9	179.8	179.7	168.6	-162.9	0	0	110.4	T78 Q80	E70-T78 PolarHBondContact N-O 2.83Å; E70-T78 PolarHBondContact O-N 2.9Å; E70-T78 PolarHBondContact O-OG1 2.9Å; E70-Q80 HydrophobicContact CB-CB 4.17Å; E70-Q80 VanDerWaalsContact CD-NE2 3.34Å; E70-Q80 PolarHBondContact OE2-NE2 3.25Å
71	L	85.3	Confident	81.7	Confident	20 Å²	20	54.1 Å²	54.1	11%	0.105	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	112.1	175.5	-173.8	66.9	0	0	0	109.8	V40 L58 V60 L77 L99 V101	V40-L71 HydrophobicContact CB-CD1 4.1Å; V40-L71 HydrophobicContact CG2-CD1 3.68Å; L58-L71 HydrophobicContact CB-CD2 3.83Å; L58-L71 HydrophobicContact CD1-CD2 3.99Å; V60-L71 HydrophobicContact CG2-CB 4.14Å; L71-L77 HydrophobicContact CB-CD1 4.35Å; L71-L77 HydrophobicContact CD1-CB 4.08Å; L71-L77 HydrophobicContact CD1-CD1 4.35Å; L71-L99 HydrophobicContact CB-CD2 4.38Å; L71-V101 HydrophobicContact CD2-CG1 3.89Å
72	S	81	Confident	81.9	Confident	35 Å²	35	55.2 Å²	55.2	25%	0.245	29%	0.292	C	S	.	.			trans	-63.2	157.8	176.9	63.1	0	0	0	0	112.5	A74 G75 I76	S72-A74 PolarHBondContact O-N 3.09Å; S72-G75 WeakPolarHBondContact O-CA 3.2Å; S72-G75 PolarHBondContact O-N 3.16Å; S72-I76 WeakPolarHBondContact CB-O 2.9Å; S72-I76 PolarHBondContact N-O 3.46Å; S72-I76 WeakPolarHBondContact OG-CA 3.46Å; S72-I76 WeakPolarHBondContact OG-CB 3.09Å; S72-I76 PolarHBondContact OG-N 3.28Å; S72-I76 VanDerWaalsContact OG-N 3.08Å; S72-I76 PolarHBondContact OG-O 3.38Å
73	P	75.7	Confident	82.2	Confident	97 Å²	97	52.7 Å²	52.7	63%	0.63	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-20	176.8	-26.1	35.6	0	0	0	115	G75	P73-G75 VanDerWaalsContact C-N 3.28Å
74	A	71.6	Confident	82.4	Confident	53 Å²	53	54.1 Å²	54.1	44%	0.438	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	1.7	173.3	0	0	0	0	0	113.7	S72 I76	S72-A74 PolarHBondContact O-N 3.09Å; A74-I76 VanDerWaalsContact C-N 3.32Å; A74-I76 PolarHBondContact O-N 2.56Å
75	G	77.6	Confident	82.9	Confident	1 Å²	1	53.1 Å²	53.1	1%	0.01	27%	0.274	C	S	.	.	S	Bend	trans	73.3	19	-179.8	0	0	0	0	0	114.9	V40 T41 S72 P73	V40-G75 WeakPolarHBondContact CB-O 3.44Å; V40-G75 PolarHBondContact N-O 3.39Å; T41-G75 PolarHBondContact N-O 3.31Å; T41-G75 WeakPolarHBondContact OG1-CA 3.34Å; S72-G75 WeakPolarHBondContact O-CA 3.2Å; S72-G75 PolarHBondContact O-N 3.16Å; P73-G75 VanDerWaalsContact C-N 3.28Å
76	I	84.4	Confident	83.5	Confident	55 Å²	55	46.4 Å²	46.4	28%	0.282	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	125.8	169.6	-54	176.2	0	0	0	107.8	V36 G38 S72 A74 T78	V36-I76 HydrophobicContact CB-CG2 4.37Å; V36-I76 HydrophobicContact CG1-CG2 3.54Å; V36-I76 HydrophobicContact CG2-CG2 4Å; G38-I76 WeakPolarHBondContact O-CA 3.25Å; S72-I76 WeakPolarHBondContact CB-O 2.9Å; S72-I76 PolarHBondContact N-O 3.46Å; S72-I76 WeakPolarHBondContact OG-CA 3.46Å; S72-I76 WeakPolarHBondContact OG-CB 3.09Å; S72-I76 PolarHBondContact OG-N 3.28Å; S72-I76 VanDerWaalsContact OG-N 3.08Å; S72-I76 PolarHBondContact OG-O 3.38Å; A74-I76 VanDerWaalsContact C-N 3.32Å; A74-I76 PolarHBondContact O-N 2.56Å; I76-T78 HydrophobicContact CG2-CG2 4.47Å
77	L	87.5	Confident	84	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	129.4	177.7	-175.6	65.3	0	0	0	109.4	Y25 I37 G38 V40 V69 L71 L99 I111 V113	Y25-L77 HydrophobicContact CD2-CD2 4.19Å; I37-L77 HydrophobicContact CB-CB 4.33Å; I37-L77 HydrophobicContact CB-CD2 4.15Å; I37-L77 HydrophobicContact CB-CG 4.12Å; I37-L77 HydrophobicContact CD1-CD2 4.21Å; I37-L77 HydrophobicContact CD1-CG 3.94Å; I37-L77 HydrophobicContact CG2-CD2 3.89Å; I37-L77 HydrophobicContact CG2-CG 4.42Å; I37-L77 PolarHBondContact N-O 3.32Å; G38-L77 PolarHBondContact O-N 2.82Å; V40-L77 HydrophobicContact CG2-CB 3.8Å; V40-L77 HydrophobicContact CG2-CD2 4.44Å; V69-L77 HydrophobicContact CB-CD1 4.08Å; V69-L77 HydrophobicContact CG2-CD1 4.21Å; L71-L77 HydrophobicContact CB-CD1 4.35Å; L71-L77 HydrophobicContact CD1-CB 4.08Å; L71-L77 HydrophobicContact CD1-CD1 4.35Å; L77-L99 HydrophobicContact CD1-CD2 3.53Å; L77-I111 HydrophobicContact CD2-CG2 4.11Å; L77-V113 HydrophobicContact CD2-CG2 3.86Å
78	T	87.8	Confident	84	Confident	28 Å²	28	44.3 Å²	44.3	17%	0.172	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	151.2	-175.6	41	0	0	0	0	111.9	S35 V36 V69 E70 I76	S35-T78 CarbonylContact O-C 3.53Å; S35-T78 WeakPolarHBondContact O-CA 3.27Å; V36-T78 HydrophobicContact CG2-CG2 3.86Å; V69-T78 WeakPolarHBondContact CA-O 3.26Å; E70-T78 PolarHBondContact N-O 2.83Å; E70-T78 PolarHBondContact O-N 2.9Å; E70-T78 PolarHBondContact O-OG1 2.9Å; I76-T78 HydrophobicContact CG2-CG2 4.47Å
79	T	88	Confident	84	Confident	3 Å²	3	44.3 Å²	44.3	2%	0.018	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	135.4	168.1	55.1	0	0	0	0	110.5	I27 K32 G34 S35 I37 I83	I27-T79 HydrophobicContact CD1-CG2 3.52Å; K32-T79 PolarHBondContact O-OG1 2.86Å; G34-T79 WeakPolarHBondContact CA-O 3.49Å; G34-T79 PolarHBondContact N-O 3.33Å; G34-T79 PolarHBondContact N-OG1 3.46Å; S35-T79 PolarHBondContact N-OG1 3.18Å; S35-T79 PolarHBondContact O-N 3.43Å; I37-T79 HydrophobicContact CD1-CG2 4.2Å; I37-T79 HydrophobicContact CG1-CG2 4.49Å; T79-I83 HydrophobicContact CG2-CD1 4.3Å
80	Q	85.8	Confident	83.8	Confident	80 Å²	80	53.4 Å²	53.4	37%	0.374	28%	0.282	S	S	.	.	S	Bend	trans	-94.7	-26.5	175.3	-175.2	165.6	74.9	0	0	111.8	R67 W68 E70	R67-Q80 PolarHBondContact O-OE1 2.83Å; W68-Q80 PolarHBondContact O-N 2.82Å; E70-Q80 HydrophobicContact CB-CB 4.17Å; E70-Q80 VanDerWaalsContact CD-NE2 3.34Å; E70-Q80 PolarHBondContact OE2-NE2 3.25Å
81	M	85.1	Confident	83.2	Confident	69 Å²	69	53.8 Å²	53.8	34%	0.34	28%	0.284	S	S	.	.	S	Bend	trans	-141.3	169.2	175.4	60.4	-172.7	70.6	0	0	110.6	P66 I83	P66-M81 HydrophobicContact CB-CE 4.48Å; M81-I83 PolarHBondContact O-N 2.85Å
82	K	86.3	Confident	82.9	Confident	105 Å²	105	57.1 Å²	57.1	46%	0.457	30%	0.302	S	S	.	.			trans	-60.9	130.1	166.3	-177.9	-179	-173.2	-79.8	0	107.7	E30	E30-K82 VanDerWaalsContact CD-CE 3.49Å; E30-K82 VanDerWaalsContact OE1-CE 3.25Å; E30-K82 WeakPolarHBondContact OE1-CE 3.36Å; E30-K82 IonicContact OE1-NZ 2.66Å; E30-K82 PolarHBondContact OE1-NZ 3.33Å; E30-K82 WeakPolarHBondContact OE2-CE 3.19Å; E30-K82 IonicContact OE2-NZ 2.93Å; E30-K82 PolarHBondContact OE2-NZ 2.95Å
83	I	87.1	Confident	82.7	Confident	3 Å²	3	60.3 Å²	60.3	2%	0.015	32%	0.322	C	S	.	.			trans	-101.4	114.9	174.9	-56	179.5	0	0	0	106.2	E29 E30 W68 V69 T79 M81 I97 I115	E29-I83 WeakPolarHBondContact CB-O 3.33Å; E30-I83 PolarHBondContact N-O 3.41Å; W68-I83 HydrophobicContact CB-CD1 3.9Å; W68-I83 HydrophobicContact CB-CG1 4.06Å; W68-I83 HydrophobicContact CG-CG1 4.35Å; V69-I83 HydrophobicContact CG1-CD1 4.5Å; T79-I83 HydrophobicContact CG2-CD1 4.3Å; M81-I83 PolarHBondContact O-N 2.85Å; I83-I97 HydrophobicContact CD1-CD1 4.41Å; I83-I115 HydrophobicContact CG2-CD1 3.61Å; I83-I115 HydrophobicContact CG2-CG1 4.24Å; I83-I115 HydrophobicContact CG2-CG2 4.31Å
84	D	87.4	Confident	83	Confident	60 Å²	60	62.2 Å²	62.2	32%	0.321	32%	0.321	S	S	.	.			trans	-100.4	115.7	166.9	164.8	-30.6	0	0	0	104.5	D86 V87 V88	D84-D86 PolarHBondContact OD1-N 2.82Å; D84-V87 WeakPolarHBondContact OD1-CB 3.37Å; D84-V87 VanDerWaalsContact OD1-CG2 3.24Å; D84-V87 WeakPolarHBondContact OD1-CG2 3.46Å; D84-V87 PolarHBondContact OD1-N 2.95Å; D84-V87 WeakPolarHBondContact OD2-CG2 3.46Å; D84-V88 WeakPolarHBondContact O-CG2 2.97Å
85	R	87.6	Confident	83.7	Confident	6 Å²	6	59.9 Å²	59.9	2%	0.023	30%	0.301	C	S	.	.	H	α-helix	trans	-84.7	-31.8	-170.5	-171.5	-157	63.3	135.5	2.6	111.1	E29 V88 C89 R90 C95 I115 D117 S154	E29-R85 HydrophobicContact CB-CB 4.08Å; E29-R85 HydrophobicContact CG-CB 4.35Å; E29-R85 WeakPolarHBondContact OE1-CB 3.38Å; E29-R85 WeakPolarHBondContact OE1-CD 3.27Å; E29-R85 IonicContact OE1-CZ 3.56Å; E29-R85 IonicContact OE1-NE 3.54Å; E29-R85 PolarHBondContact OE1-NE 3.2Å; E29-R85 WeakPolarHBondContact OE2-CA 3.26Å; E29-R85 WeakPolarHBondContact OE2-CB 3.43Å; E29-R85 PolarHBondContact OE2-N 3.12Å; R85-V88 PolarHBondContact O-N 2.86Å; R85-V88 VanDerWaalsContact O-N 3.17Å; R85-C89 HydrophobicContact CG-CB 4.44Å; R85-C89 WeakPolarHBondContact O-CB 3.37Å; R85-C89 PolarHBondContact O-N 2.82Å; R85-R90 PolarHBondContact O-N 3.09Å; R85-C95 HydrophobicContact CG-CB 3.71Å; R85-C95 VanDerWaalsContact CG-SG 3.53Å; R85-I115 HydrophobicContact CB-CG2 3.97Å; R85-I115 HydrophobicContact CG-CB 4.21Å; R85-I115 HydrophobicContact CG-CG2 3.75Å; R85-D117 IonicContact CZ-OD1 3.51Å; R85-D117 IonicContact CZ-OD2 2.56Å; R85-D117 VanDerWaalsContact CZ-OD2 3.23Å; R85-D117 IonicContact NE-OD1 2.74Å; R85-D117 IonicContact NH1-OD1 3.52Å; R85-D117 PolarHBondContact NH1-OD1 3.13Å; R85-D117 IonicContact NH1-OD2 2.95Å; R85-D117 PolarHBondContact NH1-OD2 3.44Å; R85-D117 IonicContact NH2-OD1 2.72Å; R85-D117 PolarHBondContact NH2-OD1 2.69Å; R85-D117 IonicContact NH2-OD2 3.83Å; R85-D117 PolarHBondContact NH2-OD2 2.94Å; R85-D117 VanDerWaalsContact NH2-OD2 3.13Å; R85-S154 VanDerWaalsContact NH2-N 3.19Å
86	D	86.4	Confident	84.2	Confident	15 Å²	15	63.4 Å²	63.4	8%	0.08	32%	0.319	C	S	.	.	H	α-helix	trans	-75.7	-30.4	-174.2	-51	-52.4	0	0	0	112.1	D84 R90 N121 P152	D84-D86 PolarHBondContact OD1-N 2.82Å; D86-R90 WeakPolarHBondContact O-CA 3.49Å; D86-R90 WeakPolarHBondContact O-CG 3.43Å; D86-R90 PolarHBondContact O-N 2.86Å; D86-N121 PolarHBondContact OD2-ND2 2.03Å; D86-P152 HydrophobicContact CB-CB 3.77Å
87	V	84.4	Confident	84.3	Confident	112 Å²	112	61 Å²	61	68%	0.679	31%	0.306	S	S	*	.	H	α-helix	trans	-69.6	-36.4	167.3	173.7	0	0	0	0	111.6	D84	D84-V87 WeakPolarHBondContact OD1-CB 3.37Å; D84-V87 VanDerWaalsContact OD1-CG2 3.24Å; D84-V87 WeakPolarHBondContact OD1-CG2 3.46Å; D84-V87 PolarHBondContact OD1-N 2.95Å; D84-V87 WeakPolarHBondContact OD2-CG2 3.46Å
88	V	81.7	Confident	84.1	Confident	58 Å²	58	63.4 Å²	63.4	35%	0.352	32%	0.323	S	S	.	.	H	α-helix	trans	-82.7	-47.5	-173.1	171.2	0	0	0	0	113.1	W68 D84 R85	W68-V88 HydrophobicContact CH2-CG1 3.78Å; W68-V88 HydrophobicContact CZ2-CB 4.28Å; W68-V88 HydrophobicContact CZ2-CG1 3.47Å; W68-V88 VanDerWaalsContact CZ2-CG1 3.47Å; W68-V88 HydrophobicContact CZ2-CG2 3.7Å; D84-V88 WeakPolarHBondContact O-CG2 2.97Å; R85-V88 PolarHBondContact O-N 2.86Å; R85-V88 VanDerWaalsContact O-N 3.17Å
89	C	82.1	Confident	84.1	Confident	30 Å²	30	62.1 Å²	62.1	20%	0.203	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.1	-21.9	-174.1	-75.2	0	0	0	0	113.3	R85 N92 C95	R85-C89 HydrophobicContact CG-CB 4.44Å; R85-C89 WeakPolarHBondContact O-CB 3.37Å; R85-C89 PolarHBondContact O-N 2.82Å; C89-N92 VanDerWaalsContact O-CB 3.25Å; C89-N92 WeakPolarHBondContact O-CB 3.17Å; C89-C95 HydrophobicContact CB-CB 3.58Å; C89-C95 WeakPolarHBondContact CB-SG 3.35Å; C89-C95 WeakPolarHBondContact SG-CA 3.4Å; C89-C95 WeakPolarHBondContact SG-CB 3.37Å; C89-C95 CovalentContact SG-SG 2.03Å; C89-C95 PolarHBondContact SG-SG 2.99Å
90	R	80.7	Confident	84	Confident	191 Å²	191	65.4 Å²	65.4	72%	0.721	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.8	-160.3	-169.4	-48.3	176.7	-176.3	-179.8	-0.7	110.7	R85 D86 N92	R85-R90 PolarHBondContact O-N 3.09Å; D86-R90 WeakPolarHBondContact O-CA 3.49Å; D86-R90 WeakPolarHBondContact O-CG 3.43Å; D86-R90 PolarHBondContact O-N 2.86Å; R90-N92 PolarHBondContact O-N 2.85Å
91	Q	73.7	Confident	83.8	Confident	108 Å²	108	61.6 Å²	61.6	51%	0.505	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	4.4	175.4	-63.2	167.5	-23.8	0	0	116	P93 D151 P152 S154	Q91-P93 WeakPolarHBondContact O-CD 3.2Å; Q91-D151 PolarHBondContact NE2-O 3.29Å; Q91-P152 WeakPolarHBondContact CG-O 3.37Å; Q91-S154 PolarHBondContact O-OG 2.79Å
92	N	80.2	Confident	83.5	Confident	90 Å²	90	60.9 Å²	60.9	48%	0.481	31%	0.309	S	S	.	.			trans	-66.7	116.4	178.2	-180	7.7	0	0	0	110.9	C89 R90 K94	C89-N92 VanDerWaalsContact O-CB 3.25Å; C89-N92 WeakPolarHBondContact O-CB 3.17Å; R90-N92 PolarHBondContact O-N 2.85Å; N92-K94 PolarHBondContact O-N 2.85Å
93	P	75.1	Confident	82.8	Confident	102 Å²	102	56.1 Å²	56.1	66%	0.662	29%	0.289	S	S	*	.	S	Bend	trans	-69.4	6.7	-166.7	28.3	-37.8	0	0	0	115.9	Q91 S154	Q91-P93 WeakPolarHBondContact O-CD 3.2Å; P93-S154 WeakPolarHBondContact CA-OG 3.11Å
94	K	82.4	Confident	81.8	Confident	138 Å²	138	60.7 Å²	60.7	60%	0.6	31%	0.314	S	S	*	.			trans	-142.1	96.9	171.2	-67.7	-166.9	177.6	-177	0	111.4	N92 I96	N92-K94 PolarHBondContact O-N 2.85Å; K94-I96 HydrophobicContact CB-CD1 4.43Å
95	C	87.3	Confident	80.8	Confident	4 Å²	4	60.7 Å²	60.7	3%	0.027	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	108.4	171.6	-163.2	0	0	0	0	109.9	R85 C89 E114 I115	R85-C95 HydrophobicContact CG-CB 3.71Å; R85-C95 VanDerWaalsContact CG-SG 3.53Å; C89-C95 HydrophobicContact CB-CB 3.58Å; C89-C95 WeakPolarHBondContact CB-SG 3.35Å; C89-C95 WeakPolarHBondContact SG-CA 3.4Å; C89-C95 WeakPolarHBondContact SG-CB 3.37Å; C89-C95 CovalentContact SG-SG 2.03Å; C89-C95 PolarHBondContact SG-SG 2.99Å; C95-E114 WeakPolarHBondContact O-CA 3.2Å; C95-I115 HydrophobicContact CB-CB 4.15Å; C95-I115 HydrophobicContact CB-CD1 4.49Å; C95-I115 PolarHBondContact O-N 3.16Å; C95-I115 WeakPolarHBondContact SG-CD1 3.34Å
96	I	86.7	Confident	79.9	Confident	74 Å²	74	67.7 Å²	67.7	38%	0.379	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	119.1	-175.5	-57.5	176.9	0	0	0	110.5	K94 K112 V113 E114	K94-I96 HydrophobicContact CB-CD1 4.43Å; I96-K112 HydrophobicContact CG2-CB 3.93Å; I96-K112 HydrophobicContact CG2-CG 4.32Å; I96-V113 WeakPolarHBondContact CA-O 3.29Å; I96-E114 HydrophobicContact CD1-CG 4.44Å; I96-E114 HydrophobicContact CG1-CB 4.4Å; I96-E114 HydrophobicContact CG1-CG 4Å
97	I	86.3	Confident	79.3	Confident	5 Å²	5	69.8 Å²	69.8	3%	0.026	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	139.2	169.6	-68	168.7	0	0	0	109	W68 V69 I83 K112 V113 I115	W68-I97 HydrophobicContact CB-CD1 3.76Å; W68-I97 HydrophobicContact CD2-CD1 3.66Å; W68-I97 HydrophobicContact CD2-CG1 4.38Å; W68-I97 HydrophobicContact CE3-CD1 3.38Å; W68-I97 HydrophobicContact CE3-CG1 3.64Å; W68-I97 HydrophobicContact CE3-CG2 4.3Å; W68-I97 HydrophobicContact CG-CD1 3.87Å; W68-I97 HydrophobicContact CZ3-CD1 4.17Å; W68-I97 HydrophobicContact CZ3-CG1 3.97Å; V69-I97 HydrophobicContact CG2-CG2 4.27Å; I83-I97 HydrophobicContact CD1-CD1 4.41Å; I97-K112 WeakPolarHBondContact O-CA 3.48Å; I97-V113 HydrophobicContact CB-CB 4.4Å; I97-V113 PolarHBondContact N-O 3.38Å; I97-V113 PolarHBondContact O-N 2.72Å; I97-I115 HydrophobicContact CD1-CD1 3.52Å; I97-I115 HydrophobicContact CD1-CG1 4.2Å; I97-I115 HydrophobicContact CG1-CD1 4Å
98	S	84.8	Confident	78.9	Confident	51 Å²	51	67.6 Å²	67.6	36%	0.357	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	135.1	174.2	55.1	0	0	0	0	112.5	S64 I111	S64-S98 PolarHBondContact N-O 2.83Å; S64-S98 PolarHBondContact OG-N 2.87Å; S64-S98 PolarHBondContact OG-O 2.92Å; S98-I111 WeakPolarHBondContact CA-O 3.38Å
99	L	86.8	Confident	78.8	Confident	0 Å²	0	64.9 Å²	64.9	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	119.5	175.3	174.9	76	0	0	0	108.2	V60 N63 V69 L71 L77 V101 I111	V60-L99 HydrophobicContact CG1-CD1 3.62Å; V60-L99 HydrophobicContact CG2-CD1 4.09Å; N63-L99 HydrophobicContact CB-CD1 3.65Å; N63-L99 VanDerWaalsContact CG-CD1 3.46Å; V69-L99 HydrophobicContact CG2-CD2 4.41Å; L71-L99 HydrophobicContact CB-CD2 4.38Å; L77-L99 HydrophobicContact CD1-CD2 3.53Å; L99-V101 HydrophobicContact CD2-CG1 4.32Å; L99-V101 HydrophobicContact CG-CG1 4.08Å; L99-I111 HydrophobicContact CB-CB 4.29Å; L99-I111 HydrophobicContact CD2-CD1 3.88Å; L99-I111 HydrophobicContact CG-CD1 4.32Å; L99-I111 PolarHBondContact N-O 3.17Å; L99-I111 WeakPolarHBondContact O-CA 3.48Å; L99-I111 WeakPolarHBondContact O-CB 3.37Å; L99-I111 PolarHBondContact O-N 2.88Å
100	E	85.5	Confident	78.9	Confident	72 Å²	72	64.3 Å²	64.3	34%	0.336	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	131.4	179.8	-57.8	-176.8	146.8	0	0	110	I61 S62 V110	I61-E100 HydrophobicContact CB-CB 4.26Å; I61-E100 HydrophobicContact CD1-CB 4.33Å; I61-E100 PolarHBondContact N-O 2.8Å; S62-E100 WeakPolarHBondContact CB-OE2 3.24Å; S62-E100 PolarHBondContact N-O 3.38Å; S62-E100 PolarHBondContact O-N 2.83Å; E100-V110 HydrophobicContact CG-CG2 4.45Å
101	V	82.3	Confident	79.2	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	142.3	-175.9	-53.2	0	0	0	0	111.4	L58 R59 V60 L71 L99 C109 I111	L58-V101 HydrophobicContact CB-CB 4.48Å; L58-V101 HydrophobicContact CD1-CG2 4.4Å; L58-V101 HydrophobicContact CD2-CG2 4.12Å; R59-V101 CarbonylContact O-C 3.33Å; R59-V101 VanDerWaalsContact O-CA 3.3Å; R59-V101 WeakPolarHBondContact O-CA 3.49Å; V60-V101 HydrophobicContact CG2-CG1 4.23Å; L71-V101 HydrophobicContact CD2-CG1 3.89Å; L99-V101 HydrophobicContact CD2-CG1 4.32Å; L99-V101 HydrophobicContact CG-CG1 4.08Å; V101-C109 HydrophobicContact CG2-CB 3.89Å; V101-C109 PolarHBondContact N-O 3.32Å; V101-C109 PolarHBondContact O-N 3.43Å; V101-I111 HydrophobicContact CB-CD1 4.5Å; V101-I111 HydrophobicContact CG1-CD1 3.75Å; V101-I111 HydrophobicContact CG2-CD1 3.85Å; V101-I111 HydrophobicContact CG2-CG1 4.41Å
102	M	77.9	Confident	79.8	Confident	54 Å²	54	53.9 Å²	53.9	27%	0.266	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	142.2	177.9	-158.4	173.9	-86.1	0	0	110.5	L58 R59 I61 M106 E107 I108	L58-M102 WeakPolarHBondContact CA-O 3.16Å; R59-M102 PolarHBondContact N-O 2.74Å; R59-M102 PolarHBondContact O-N 3.46Å; I61-M102 HydrophobicContact CD1-CB 3.84Å; I61-M102 HydrophobicContact CD1-CE 3.98Å; I61-M102 HydrophobicContact CG1-CB 3.82Å; I61-M102 HydrophobicContact CG1-CE 4.45Å; M102-M106 HydrophobicContact SD-CB 4.39Å; M102-M106 HydrophobicContact SD-CG 4.48Å; M102-E107 CarbonylContact C-O 3.43Å; M102-E107 WeakPolarHBondContact CA-O 3.22Å; M102-I108 HydrophobicContact CE-CD1 4.12Å; M102-I108 HydrophobicContact CE-CG1 3.94Å
103	S	71.8	Confident	80.2	Confident	6 Å²	6	49.6 Å²	49.6	4%	0.042	26%	0.26	C	S	.	.			trans	-75.2	170.1	164.3	67.7	0	0	0	0	111.7	S105 M106 E107	S103-S105 WeakPolarHBondContact CB-OG 3.47Å; S103-S105 PolarHBondContact O-N 2.91Å; S103-S105 WeakPolarHBondContact OG-CA 3.5Å; S103-S105 PolarHBondContact OG-N 3.27Å; S103-S105 PolarHBondContact OG-OG 3.16Å; S103-M106 PolarHBondContact O-N 2.68Å; S103-M106 PolarHBondContact OG-N 3.47Å; S103-E107 PolarHBondContact N-O 3.2Å; S103-E107 PolarHBondContact OG-N 3.45Å; S103-E107 PolarHBondContact OG-O 2.68Å
104	N	67.9	Low	80.8	Confident	99 Å²	99	47.3 Å²	47.3	53%	0.529	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-5.2	165.6	-62.9	-39.8	0	0	0	113	A52 P56	A52-N104 HydrophobicContact CB-CB 4.46Å; P56-N104 PolarHBondContact O-ND2 2.66Å
105	S	66.4	Low	81.1	Confident	59 Å²	59	41.1 Å²	41.1	41%	0.413	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96	7.9	171	52.6	0	0	0	0	113.7	S103 E107	S103-S105 WeakPolarHBondContact CB-OG 3.47Å; S103-S105 PolarHBondContact O-N 2.91Å; S103-S105 WeakPolarHBondContact OG-CA 3.5Å; S103-S105 PolarHBondContact OG-N 3.27Å; S103-S105 PolarHBondContact OG-OG 3.16Å; S105-E107 PolarHBondContact O-N 2.84Å; S105-E107 PolarHBondContact OG-OE2 2.87Å
106	M	68.3	Low	81	Confident	153 Å²	153	45.8 Å²	45.8	75%	0.754	24%	0.236	S	C	*	.	S	Bend	trans	67.2	10.2	-176.4	-56.9	178	60.8	0	0	115.7	M102 S103	M102-M106 HydrophobicContact SD-CB 4.39Å; M102-M106 HydrophobicContact SD-CG 4.48Å; S103-M106 PolarHBondContact O-N 2.68Å; S103-M106 PolarHBondContact OG-N 3.47Å
107	E	72.4	Confident	81.1	Confident	59 Å²	59	43.8 Å²	43.8	28%	0.276	23%	0.226	S	C	.	.			trans	-73.4	135.5	171.6	-60.7	176.1	142.1	0	0	110	F49 Q50 M102 S103 S105	F49-E107 HydrophobicContact CD2-CB 4.28Å; F49-E107 HydrophobicContact CE2-CB 3.55Å; F49-E107 HydrophobicContact CZ-CB 4.03Å; Q50-E107 PolarHBondContact N-OE2 3.28Å; M102-E107 CarbonylContact C-O 3.43Å; M102-E107 WeakPolarHBondContact CA-O 3.22Å; S103-E107 PolarHBondContact N-O 3.2Å; S103-E107 PolarHBondContact OG-N 3.45Å; S103-E107 PolarHBondContact OG-O 2.68Å; S105-E107 PolarHBondContact O-N 2.84Å; S105-E107 PolarHBondContact OG-OE2 2.87Å
108	I	77	Confident	81.2	Confident	67 Å²	67	46.2 Å²	46.2	34%	0.344	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	127.4	179.4	-59.1	179.1	0	0	0	110.1	I21 I61 M102 V110	I21-I108 PolarHBondContact N-O 2.74Å; I61-I108 HydrophobicContact CD1-CB 4.43Å; I61-I108 HydrophobicContact CD1-CD1 4.14Å; I61-I108 HydrophobicContact CD1-CG1 3.92Å; I61-I108 HydrophobicContact CD1-CG2 3.87Å; M102-I108 HydrophobicContact CE-CD1 4.12Å; M102-I108 HydrophobicContact CE-CG1 3.94Å; I108-V110 HydrophobicContact CG2-CG2 4.48Å
109	C	79.9	Confident	81.4	Confident	1 Å²	1	45.4 Å²	45.4	1%	0.007	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	128.3	167.9	-178.3	0	0	0	0	110.1	I21 F49 V101	I21-C109 CarbonylContact O-C 3.57Å; I21-C109 VanDerWaalsContact O-CA 3.26Å; I21-C109 WeakPolarHBondContact O-CA 3.44Å; I21-C109 PolarHBondContact O-SG 3.23Å; F49-C109 HydrophobicContact CE2-CB 3.98Å; F49-C109 HydrophobicContact CZ-CB 4.02Å; V101-C109 HydrophobicContact CG2-CB 3.89Å; V101-C109 PolarHBondContact N-O 3.32Å; V101-C109 PolarHBondContact O-N 3.43Å
110	V	84.8	Confident	81.5	Confident	18 Å²	18	49 Å²	49	11%	0.109	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	116.5	174.8	-177.3	0	0	0	0	108.3	V20 I21 N22 L23 E100 I108 K112	V20-V110 HydrophobicContact CG1-CG2 4.05Å; I21-V110 PolarHBondContact O-N 2.87Å; N22-V110 CarbonylContact C-O 3.58Å; N22-V110 WeakPolarHBondContact CA-O 3.44Å; L23-V110 PolarHBondContact N-O 2.73Å; E100-V110 HydrophobicContact CG-CG2 4.45Å; I108-V110 HydrophobicContact CG2-CG2 4.48Å; V110-K112 HydrophobicContact CG1-CG 4.35Å
111	I	85.7	Confident	81.6	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	125.8	177.3	-54.5	160.6	0	0	0	108	L23 Y25 V40 L77 S98 L99 V101 V113	L23-I111 HydrophobicContact CB-CG1 4.43Å; L23-I111 WeakPolarHBondContact O-CA 3.49Å; Y25-I111 HydrophobicContact CD2-CG2 3.67Å; Y25-I111 HydrophobicContact CE2-CG2 3.8Å; V40-I111 HydrophobicContact CG1-CD1 3.67Å; V40-I111 HydrophobicContact CG1-CG1 4.21Å; V40-I111 HydrophobicContact CG2-CD1 4.15Å; L77-I111 HydrophobicContact CD2-CG2 4.11Å; S98-I111 WeakPolarHBondContact CA-O 3.38Å; L99-I111 HydrophobicContact CB-CB 4.29Å; L99-I111 HydrophobicContact CD2-CD1 3.88Å; L99-I111 HydrophobicContact CG-CD1 4.32Å; L99-I111 PolarHBondContact N-O 3.17Å; L99-I111 WeakPolarHBondContact O-CA 3.48Å; L99-I111 WeakPolarHBondContact O-CB 3.37Å; L99-I111 PolarHBondContact O-N 2.88Å; V101-I111 HydrophobicContact CB-CD1 4.5Å; V101-I111 HydrophobicContact CG1-CD1 3.75Å; V101-I111 HydrophobicContact CG2-CD1 3.85Å; V101-I111 HydrophobicContact CG2-CG1 4.41Å; I111-V113 HydrophobicContact CG2-CG2 4.35Å
112	K	87.5	Confident	82	Confident	79 Å²	79	49.9 Å²	49.9	34%	0.343	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	117.4	174.3	-67.5	179.1	-178.7	174	0	108.9	L23 K24 Y25 I96 I97 V110	L23-K112 PolarHBondContact O-N 3.02Å; K24-K112 WeakPolarHBondContact CA-O 2.91Å; K24-K112 HydrophobicContact CG-CB 4.48Å; Y25-K112 PolarHBondContact N-O 3.36Å; I96-K112 HydrophobicContact CG2-CB 3.93Å; I96-K112 HydrophobicContact CG2-CG 4.32Å; I97-K112 WeakPolarHBondContact O-CA 3.48Å; V110-K112 HydrophobicContact CG1-CG 4.35Å
113	V	87.5	Confident	82.8	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	109.4	174	-174.1	0	0	0	0	106.9	Y25 I27 L77 I96 I97 I111	Y25-V113 CarbonylContact O-C 3.52Å; Y25-V113 WeakPolarHBondContact O-CA 3.18Å; I27-V113 HydrophobicContact CG2-CG1 3.74Å; L77-V113 HydrophobicContact CD2-CG2 3.86Å; I96-V113 WeakPolarHBondContact CA-O 3.29Å; I97-V113 HydrophobicContact CB-CB 4.4Å; I97-V113 PolarHBondContact N-O 3.38Å; I97-V113 PolarHBondContact O-N 2.72Å; I111-V113 HydrophobicContact CG2-CG2 4.35Å
114	E	87.9	Confident	83.7	Confident	54 Å²	54	56 Å²	56	25%	0.252	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	118.7	173.9	-158.7	144.6	-167.1	0	0	105.9	K24 Y25 G26 I27 C95 I96 E116	K24-E114 IonicContact NZ-OE2 3.7Å; K24-E114 PolarHBondContact NZ-OE2 2.77Å; Y25-E114 PolarHBondContact O-N 3.49Å; G26-E114 WeakPolarHBondContact CA-O 3.45Å; I27-E114 PolarHBondContact N-O 2.63Å; I27-E114 VanDerWaalsContact N-O 3.09Å; C95-E114 WeakPolarHBondContact O-CA 3.2Å; I96-E114 HydrophobicContact CD1-CG 4.44Å; I96-E114 HydrophobicContact CG1-CB 4.4Å; I96-E114 HydrophobicContact CG1-CG 4Å; E114-E116 PolarHBondContact O-N 3.5Å
115	I	88.2	Confident	84.9	Confident	8 Å²	8	51.8 Å²	51.8	4%	0.041	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	115.9	177.7	-60	159	0	0	0	106.9	I27 E29 I83 R85 C95 I97	I27-I115 CarbonylContact O-C 3.52Å; I27-I115 WeakPolarHBondContact O-CA 3.28Å; E29-I115 HydrophobicContact CB-CG2 3.86Å; I83-I115 HydrophobicContact CG2-CD1 3.61Å; I83-I115 HydrophobicContact CG2-CG1 4.24Å; I83-I115 HydrophobicContact CG2-CG2 4.31Å; R85-I115 HydrophobicContact CB-CG2 3.97Å; R85-I115 HydrophobicContact CG-CB 4.21Å; R85-I115 HydrophobicContact CG-CG2 3.75Å; C95-I115 HydrophobicContact CB-CB 4.15Å; C95-I115 HydrophobicContact CB-CD1 4.49Å; C95-I115 PolarHBondContact O-N 3.16Å; C95-I115 WeakPolarHBondContact SG-CD1 3.34Å; I97-I115 HydrophobicContact CD1-CD1 3.52Å; I97-I115 HydrophobicContact CD1-CG1 4.2Å; I97-I115 HydrophobicContact CG1-CD1 4Å
116	E	86.6	Confident	86	Confident	102 Å²	102	52.5 Å²	52.5	48%	0.477	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	131.1	178.1	-67.6	179.4	-152.7	0	0	109.7	G26 I27 N28 E29 E114	G26-E116 WeakPolarHBondContact CA-OE1 3.5Å; I27-E116 PolarHBondContact O-N 2.84Å; N28-E116 WeakPolarHBondContact CA-O 3.25Å; E29-E116 PolarHBondContact N-O 3.19Å; E29-E116 VanDerWaalsContact N-O 3.12Å; E114-E116 PolarHBondContact O-N 3.5Å
117	D	87.7	Confident	87	Confident	33 Å²	33	48.2 Å²	48.2	18%	0.176	24%	0.244	C	C	.	.			trans	-54.9	144.8	178.4	-145.4	-29.2	0	0	0	111.5	R85 S154 F157	R85-D117 IonicContact CZ-OD1 3.51Å; R85-D117 IonicContact CZ-OD2 2.56Å; R85-D117 VanDerWaalsContact CZ-OD2 3.23Å; R85-D117 IonicContact NE-OD1 2.74Å; R85-D117 IonicContact NH1-OD1 3.52Å; R85-D117 PolarHBondContact NH1-OD1 3.13Å; R85-D117 IonicContact NH1-OD2 2.95Å; R85-D117 PolarHBondContact NH1-OD2 3.44Å; R85-D117 IonicContact NH2-OD1 2.72Å; R85-D117 PolarHBondContact NH2-OD1 2.69Å; R85-D117 IonicContact NH2-OD2 3.83Å; R85-D117 PolarHBondContact NH2-OD2 2.94Å; R85-D117 VanDerWaalsContact NH2-OD2 3.13Å; D117-S154 WeakPolarHBondContact OD2-CA 3.23Å; D117-S154 WeakPolarHBondContact OD2-CB 3.09Å; D117-S154 PolarHBondContact OD2-N 2.93Å; D117-S154 VanDerWaalsContact OD2-O 3.14Å; D117-F157 HydrophobicContact CB-CD2 3.77Å; D117-F157 HydrophobicContact CB-CE2 3.97Å
118	L	88.8	Confident	87.7	Confident	55 Å²	55	49.9 Å²	49.9	29%	0.288	26%	0.263	S	S	.	.			trans	-126.6	135	164.9	-73.5	-179.9	0	0	0	109.1	N28 E29 E30 D120	N28-L118 HydrophobicContact CB-CD1 4.23Å; N28-L118 HydrophobicContact CB-CD2 4.24Å; N28-L118 HydrophobicContact CB-CG 4.23Å; E29-L118 HydrophobicContact CG-CB 3.89Å; E29-L118 HydrophobicContact CG-CD1 3.98Å; E29-L118 HydrophobicContact CG-CG 3.91Å; E29-L118 WeakPolarHBondContact O-CD1 3.27Å; E29-L118 PolarHBondContact OE1-N 2.82Å; E30-L118 HydrophobicContact CB-CD1 4.11Å; E30-L118 HydrophobicContact CG-CD1 4.4Å; L118-D120 VanDerWaalsContact C-N 3.28Å; L118-D120 HydrophobicContact CB-CB 4.3Å; L118-D120 PolarHBondContact O-N 3.05Å
119	N	89.4	Confident	88.5	Confident	34 Å²	34	50.7 Å²	50.7	18%	0.182	27%	0.265	C	S	.	.			trans	-69.3	90.8	166.9	-174.1	-43.2	0	0	0	108.9	N121 D153 F157 D208 K214	N119-N121 PolarHBondContact OD1-O 2.76Å; N119-D153 WeakPolarHBondContact CA-OD2 3.35Å; N119-F157 HydrophobicContact CB-CB 4.06Å; N119-F157 HydrophobicContact CB-CD1 3.84Å; N119-F157 HydrophobicContact CB-CD2 4.12Å; N119-F157 HydrophobicContact CB-CE1 4.32Å; N119-F157 HydrophobicContact CB-CG 3.75Å; N119-D208 PolarHBondContact ND2-OD1 2.81Å; N119-D208 PolarHBondContact ND2-OD2 2.98Å; N119-K214 PolarHBondContact O-NZ 3.38Å; N119-K214 VanDerWaalsContact OD1-CD 3.29Å; N119-K214 WeakPolarHBondContact OD1-CD 3.32Å; N119-K214 WeakPolarHBondContact OD1-CE 3.26Å; N119-K214 PolarHBondContact OD1-NZ 2.95Å
120	D	87.8	Confident	89.1	Confident	75 Å²	75	51.7 Å²	51.7	40%	0.401	27%	0.27	S	S	.	.			trans	-120.7	-43.8	-169.5	151	-70.9	0	0	0	109.5	L118 D153 K214	L118-D120 VanDerWaalsContact C-N 3.28Å; L118-D120 HydrophobicContact CB-CB 4.3Å; L118-D120 PolarHBondContact O-N 3.05Å; D120-D153 PolarHBondContact N-OD2 2.86Å; D120-K214 VanDerWaalsContact CA-NZ 3.31Å; D120-K214 PolarHBondContact O-NZ 3.44Å
121	N	89	Confident	89.5	Confident	54 Å²	54	55.8 Å²	55.8	29%	0.289	29%	0.291	S	S	.	.	S	Bend	trans	-79.5	-170.3	166.6	-56.6	-82.6	0	0	0	111.7	D86 N119 P152 D153 K214	D86-N121 PolarHBondContact OD2-ND2 2.03Å; N119-N121 PolarHBondContact OD1-O 2.76Å; N121-P152 HydrophobicContact CB-CB 4.34Å; N121-P152 HydrophobicContact CB-CG 3.88Å; N121-D153 VanDerWaalsContact CB-OD1 3.25Å; N121-D153 WeakPolarHBondContact CB-OD1 3.48Å; N121-D153 PolarHBondContact ND2-OD1 2.81Å; N121-K214 WeakPolarHBondContact O-CD 3.37Å; N121-K214 PolarHBondContact O-NZ 2.73Å
122	A	90.3	Very high	89.9	Confident	38 Å²	38	57 Å²	57	31%	0.314	30%	0.298	S	S	.	.			trans	-153.3	157.6	177.4	0	0	0	0	0	109.9	R124 K214	A122-R124 PolarHBondContact O-N 3.2Å; A122-K214 HydrophobicContact CB-CB 3.81Å; A122-K214 HydrophobicContact CB-CD 3.82Å
123	P	93.2	Very high	90.2	Very high	6 Å²	6	58.6 Å²	58.6	4%	0.039	31%	0.306	C	S	.	.			trans	-58.3	131.9	-179.3	-26.8	34.9	0	0	0	111.3	A149 D151 V159 A206 D208 G216	P123-A149 HydrophobicContact CB-CB 4.14Å; P123-D151 WeakPolarHBondContact CA-OD2 3.47Å; P123-D151 WeakPolarHBondContact CD-OD2 3.33Å; P123-D151 WeakPolarHBondContact CG-OD2 3.32Å; P123-V159 HydrophobicContact CB-CG2 4.1Å; P123-V159 HydrophobicContact CG-CG2 4.32Å; P123-A206 HydrophobicContact CB-CB 3.83Å; P123-D208 HydrophobicContact CG-CB 4.2Å; P123-G216 WeakPolarHBondContact O-CA 2.91Å
124	R	91.8	Very high	90.6	Very high	181 Å²	181	58.6 Å²	58.6	68%	0.683	31%	0.306	S	S	*	.	B	Isolated β-bridge	trans	-136	127.8	-179.8	174.1	175.4	163	-162.6	-8.5	112.2	A122 A149 S150	A122-R124 PolarHBondContact O-N 3.2Å; R124-A149 CarbonylContact O-C 3.59Å; R124-A149 WeakPolarHBondContact O-CA 3.49Å; R124-S150 PolarHBondContact N-O 3.19Å; R124-S150 PolarHBondContact O-N 2.85Å; R124-S150 PolarHBondContact O-OG 3.17Å
125	F	92.3	Very high	90.9	Very high	12 Å²	12	57.8 Å²	57.8	5%	0.053	31%	0.306	C	S	.	.			trans	-75.6	150.8	171.5	-67.7	-83.5	0	0	0	112.1	T127 A149 Y162 I204 A206 V218	F125-T127 VanDerWaalsContact C-N 3.35Å; F125-A149 HydrophobicContact CD1-CB 4.07Å; F125-A149 HydrophobicContact CD2-CB 4.26Å; F125-A149 HydrophobicContact CE1-CB 3.93Å; F125-A149 HydrophobicContact CE2-CB 4.12Å; F125-A149 HydrophobicContact CG-CB 4.24Å; F125-A149 HydrophobicContact CZ-CB 3.95Å; F125-Y162 HydrophobicContact CE1-CE1 4.08Å; F125-Y162 HydrophobicContact CZ-CD1 4.29Å; F125-Y162 HydrophobicContact CZ-CE1 4.12Å; F125-I204 HydrophobicContact CE1-CG2 4.4Å; F125-I204 HydrophobicContact CZ-CG2 3.9Å; F125-A206 HydrophobicContact CE2-CB 3.91Å; F125-A206 HydrophobicContact CZ-CB 3.73Å; F125-V218 HydrophobicContact CB-CB 3.98Å; F125-V218 HydrophobicContact CB-CG1 4.32Å; F125-V218 HydrophobicContact CB-CG2 4.25Å; F125-V218 HydrophobicContact CD1-CB 4.24Å; F125-V218 HydrophobicContact CD1-CG1 3.63Å; F125-V218 HydrophobicContact CD2-CB 3.59Å; F125-V218 HydrophobicContact CD2-CG1 3.62Å; F125-V218 HydrophobicContact CE1-CG1 3.73Å; F125-V218 HydrophobicContact CE2-CB 4.11Å; F125-V218 HydrophobicContact CE2-CG1 3.71Å; F125-V218 HydrophobicContact CG-CB 3.66Å; F125-V218 HydrophobicContact CG-CG1 3.57Å; F125-V218 HydrophobicContact CG-CG2 4.38Å; F125-V218 HydrophobicContact CZ-CG1 3.77Å
126	P	89.4	Confident	91.1	Very high	73 Å²	73	57.8 Å²	57.8	47%	0.474	31%	0.306	S	S	.	.	S	Bend	trans	-70.7	-30.6	179.5	27.5	-33.8	0	0	0	112.8	E147	P126-E147 HydrophobicContact CG-CB 4.04Å; P126-E147 VanDerWaalsContact CG-OE2 3.24Å; P126-E147 WeakPolarHBondContact CG-OE2 3.42Å
127	T	90.4	Very high	91.4	Very high	63 Å²	63	57.7 Å²	57.7	39%	0.387	31%	0.309	S	S	.	.	S	Bend	trans	-111.2	168	-178.7	60	0	0	0	0	111.8	F125 H129	F125-T127 VanDerWaalsContact C-N 3.35Å; T127-H129 WeakPolarHBondContact CB-O 3.49Å; T127-H129 PolarHBondContact OG1-O 2.77Å
128	S	87.5	Confident	91.6	Very high	95 Å²	95	56.6 Å²	56.6	66%	0.664	31%	0.305	S	S	*	.	S	Bend	trans	-87.1	-16.8	171.3	56	0	0	0	0	113.7
129	H	92.2	Very high	91.9	Very high	84 Å²	84	57.7 Å²	57.7	39%	0.389	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	158.2	176.4	50.8	-69.1	0	0	0	109.2	T127 D131 Q219	T127-H129 WeakPolarHBondContact CB-O 3.49Å; T127-H129 PolarHBondContact OG1-O 2.77Å; H129-D131 IonicContact CD2-OD1 2.69Å; H129-D131 IonicContact CD2-OD2 2.72Å; H129-D131 PolarHBondContact CD2-OD2 2.88Å; H129-D131 IonicContact NE2-OD2 3.09Å; H129-Q219 CarbonylContact C-O 3.55Å; H129-Q219 WeakPolarHBondContact CA-O 3.3Å; H129-Q219 HydrophobicContact CB-CB 4.33Å
130	I	92.8	Very high	92.1	Very high	21 Å²	21	60 Å²	60	11%	0.108	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	117.5	173.5	-59.1	176	0	0	0	106.3	I132 L146 I204 V218 Q219 L220 N221	I130-I132 HydrophobicContact CG2-CD1 4.16Å; I130-I132 HydrophobicContact CG2-CG1 3.97Å; I130-L146 HydrophobicContact CG2-CD2 4.35Å; I130-I204 HydrophobicContact CD1-CD1 4.36Å; I130-V218 HydrophobicContact CD1-CG1 3.84Å; I130-V218 HydrophobicContact CD1-CG2 4.46Å; I130-V218 HydrophobicContact CG1-CG1 4.32Å; I130-V218 HydrophobicContact CG1-CG2 4.06Å; I130-Q219 PolarHBondContact N-O 3.17Å; I130-L220 HydrophobicContact CB-CD1 4.06Å; I130-L220 HydrophobicContact CG2-CD1 3.92Å; I130-L220 CarbonylContact O-C 3.52Å; I130-L220 WeakPolarHBondContact O-CA 3.32Å; I130-N221 PolarHBondContact O-N 3.16Å
131	D	93.4	Very high	92.3	Very high	104 Å²	104	58.5 Å²	58.5	56%	0.556	34%	0.336	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.9	132.4	174.6	-60	-34.8	0	0	0	109.5	H129 N221	H129-D131 IonicContact CD2-OD1 2.69Å; H129-D131 IonicContact CD2-OD2 2.72Å; H129-D131 PolarHBondContact CD2-OD2 2.88Å; H129-D131 IonicContact NE2-OD2 3.09Å; D131-N221 WeakPolarHBondContact CA-O 3.28Å; D131-N221 WeakPolarHBondContact OD1-CB 3.11Å; D131-N221 PolarHBondContact OD1-ND2 2.78Å
132	I	93.5	Very high	92.5	Very high	26 Å²	26	58.1 Å²	58.1	13%	0.133	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	132.1	177.4	-48.7	-174.8	0	0	0	109.9	I130 I134 F144 L146 L186 L220 N221 I222 K223	I130-I132 HydrophobicContact CG2-CD1 4.16Å; I130-I132 HydrophobicContact CG2-CG1 3.97Å; I132-I134 HydrophobicContact CG2-CD1 4.1Å; I132-I134 HydrophobicContact CG2-CG1 3.71Å; I132-F144 HydrophobicContact CG2-CD1 4.22Å; I132-F144 HydrophobicContact CG2-CG 4.38Å; I132-L146 HydrophobicContact CD1-CD2 3.58Å; I132-L186 HydrophobicContact CD1-CD2 4.05Å; I132-L220 HydrophobicContact CD1-CD1 3.73Å; I132-L220 HydrophobicContact CG1-CD1 4Å; I132-N221 PolarHBondContact N-O 3.29Å; I132-I222 WeakPolarHBondContact O-CA 3.39Å; I132-K223 PolarHBondContact O-N 3.07Å
133	E	95	Very high	92.6	Very high	112 Å²	112	61.4 Å²	61.4	52%	0.523	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	125.8	168.7	-67.6	-167.1	133.3	0	0	109.7	K223 I225	E133-K223 WeakPolarHBondContact CA-O 3.33Å; E133-K223 HydrophobicContact CG-CB 4.35Å; E133-K223 HydrophobicContact CG-CD 4.33Å; E133-K223 WeakPolarHBondContact OE1-CD 3.18Å; E133-K223 WeakPolarHBondContact OE1-CE 3.13Å; E133-K223 IonicContact OE1-NZ 3.38Å; E133-K223 PolarHBondContact OE1-NZ 3.18Å; E133-I225 HydrophobicContact CB-CG2 3.76Å; E133-I225 HydrophobicContact CG-CG2 4.01Å
134	I	95.2	Very high	92.6	Very high	1 Å²	1	63.3 Å²	63.3	1%	0.005	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	123.7	-176.4	-58.1	-177	0	0	0	108.5	I132 A138 F144 F170 L186 L192 I222 K223 V224 I225	I132-I134 HydrophobicContact CG2-CD1 4.1Å; I132-I134 HydrophobicContact CG2-CG1 3.71Å; I134-A138 HydrophobicContact CG2-CB 3.75Å; I134-F144 HydrophobicContact CB-CE2 4.4Å; I134-F144 HydrophobicContact CB-CZ 4.19Å; I134-F144 HydrophobicContact CD1-CD2 3.79Å; I134-F144 HydrophobicContact CD1-CE2 3.73Å; I134-F144 HydrophobicContact CD1-CG 4.37Å; I134-F144 HydrophobicContact CD1-CZ 4.25Å; I134-F144 HydrophobicContact CG1-CD1 4.47Å; I134-F144 HydrophobicContact CG1-CD2 4.19Å; I134-F144 HydrophobicContact CG1-CE1 4.14Å; I134-F144 HydrophobicContact CG1-CE2 3.84Å; I134-F144 HydrophobicContact CG1-CZ 3.83Å; I134-F144 HydrophobicContact CG2-CE2 3.77Å; I134-F144 HydrophobicContact CG2-CZ 3.72Å; I134-F170 HydrophobicContact CD1-CE1 3.82Å; I134-L186 HydrophobicContact CD1-CD2 4.05Å; I134-L192 HydrophobicContact CB-CD1 4.34Å; I134-L192 HydrophobicContact CG2-CD1 3.63Å; I134-I222 HydrophobicContact CB-CG2 4.34Å; I134-I222 HydrophobicContact CD1-CG2 3.74Å; I134-I222 HydrophobicContact CG1-CG2 4.05Å; I134-K223 PolarHBondContact N-O 2.75Å; I134-V224 CarbonylContact O-C 3.39Å; I134-V224 WeakPolarHBondContact O-CA 3.49Å; I134-I225 PolarHBondContact O-N 2.96Å
135	S	93.9	Very high	92.6	Very high	36 Å²	36	60 Å²	60	25%	0.252	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	144.8	175.2	162.8	0	0	0	0	111.1	N137 A138 I225 S227	S135-N137 PolarHBondContact O-N 2.89Å; S135-N137 PolarHBondContact OG-N 3.24Å; S135-A138 WeakPolarHBondContact O-CB 3.25Å; S135-A138 PolarHBondContact O-N 3.01Å; S135-I225 WeakPolarHBondContact CA-O 3.33Å; S135-S227 PolarHBondContact OG-OG 2.63Å
136	E	94.1	Very high	92.5	Very high	9 Å²	9	60.2 Å²	60.2	4%	0.042	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-29.5	177.5	60.2	-101.1	106	0	0	113.7	A138 L192 R194 V224 D226 S227	E136-A138 PolarHBondContact O-N 2.82Å; E136-L192 HydrophobicContact CB-CB 4.17Å; E136-R194 WeakPolarHBondContact OE2-CB 3.36Å; E136-R194 PolarHBondContact OE2-N 2.95Å; E136-V224 HydrophobicContact CB-CG1 3.91Å; E136-D226 VanDerWaalsContact OE1-C 3.26Å; E136-D226 WeakPolarHBondContact OE1-CA 3.18Å; E136-S227 WeakPolarHBondContact OE1-CB 3.31Å; E136-S227 PolarHBondContact OE1-N 2.93Å; E136-S227 PolarHBondContact OE1-OG 3.1Å
137	N	91.8	Very high	92.3	Very high	99 Å²	99	62.7 Å²	62.7	53%	0.529	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	4	172	-83.6	-78.3	0	0	0	113.7	S135 S139 S227	S135-N137 PolarHBondContact O-N 2.89Å; S135-N137 PolarHBondContact OG-N 3.24Å; N137-S139 PolarHBondContact O-N 2.86Å; N137-S227 WeakPolarHBondContact ND2-CB 3.18Å; N137-S227 PolarHBondContact ND2-OG 3.35Å
138	A	93.1	Very high	92.1	Very high	11 Å²	11	60.7 Å²	60.7	9%	0.091	35%	0.349	C	S	.	.			trans	-65.8	94.1	169.5	0	0	0	0	0	111.4	I134 S135 E136 T142 V188	I134-A138 HydrophobicContact CG2-CB 3.75Å; S135-A138 WeakPolarHBondContact O-CB 3.25Å; S135-A138 PolarHBondContact O-N 3.01Å; E136-A138 PolarHBondContact O-N 2.82Å; A138-T142 HydrophobicContact CB-CG2 4.23Å; A138-V188 HydrophobicContact CB-CG2 4.5Å
139	S	93.1	Very high	92.2	Very high	77 Å²	77	56.7 Å²	56.7	54%	0.538	32%	0.321	S	S	.	.			trans	-45.9	139.6	175.9	-62	0	0	0	0	113.1	N137 G141 T142	N137-S139 PolarHBondContact O-N 2.86Å; S139-G141 PolarHBondContact O-N 2.91Å; S139-T142 WeakPolarHBondContact O-CB 3.41Å; S139-T142 PolarHBondContact O-N 3.16Å; S139-T142 PolarHBondContact O-OG1 3.33Å
140	P	94.1	Very high	92	Very high	82 Å²	82	56 Å²	56	53%	0.532	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.9	133.6	171	-28.6	35.8	0	0	0	112.3
141	G	91.6	Very high	91.9	Very high	44 Å²	44	55.2 Å²	55.2	45%	0.454	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	93.6	-8.3	-169.3	0	0	0	0	0	114.6	S139 R143 V188	S139-G141 PolarHBondContact O-N 2.91Å; G141-R143 WeakPolarHBondContact O-CG 3.03Å; G141-V188 PolarHBondContact N-O 2.94Å
142	T	93.7	Very high	91.6	Very high	47 Å²	47	52.7 Å²	52.7	29%	0.288	31%	0.311	S	S	.	.			trans	-61.6	143	171.4	-61.3	0	0	0	0	110.6	A138 S139 F144 V187 V188	A138-T142 HydrophobicContact CB-CG2 4.23Å; S139-T142 WeakPolarHBondContact O-CB 3.41Å; S139-T142 PolarHBondContact O-N 3.16Å; S139-T142 PolarHBondContact O-OG1 3.33Å; T142-F144 HydrophobicContact CG2-CE2 3.7Å; T142-F144 HydrophobicContact CG2-CZ 3.84Å; T142-V187 WeakPolarHBondContact O-CA 3.38Å; T142-V188 PolarHBondContact O-N 2.81Å
143	R	93.3	Very high	91.4	Very high	106 Å²	106	51.6 Å²	51.6	40%	0.4	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	134.7	-168.1	-46.9	-169.2	176.6	-151.2	-9.5	112.6	G141 E173 K175 E185 L186 V187	G141-R143 WeakPolarHBondContact O-CG 3.03Å; R143-E173 IonicContact CZ-OE1 3.43Å; R143-E173 IonicContact CZ-OE2 3.53Å; R143-E173 IonicContact NH1-OE1 3.97Å; R143-E173 PolarHBondContact NH1-OE1 3.5Å; R143-E173 IonicContact NH1-OE2 3.97Å; R143-E173 PolarHBondContact NH1-OE2 3.28Å; R143-E173 VanDerWaalsContact NH1-OE2 3.16Å; R143-E173 IonicContact NH2-OE1 2.61Å; R143-E173 PolarHBondContact NH2-OE1 3.36Å; R143-E173 IonicContact NH2-OE2 3.97Å; R143-E173 PolarHBondContact NH2-OE2 2.86Å; R143-K175 VanDerWaalsContact NH1-CE 3.33Å; R143-E185 WeakPolarHBondContact CD-OE2 3.35Å; R143-E185 IonicContact CZ-OE2 3.79Å; R143-E185 IonicContact NH1-OE2 2.7Å; R143-E185 PolarHBondContact NH1-OE2 2.81Å; R143-L186 CarbonylContact C-O 3.57Å; R143-L186 VanDerWaalsContact CA-O 3.3Å; R143-L186 WeakPolarHBondContact CA-O 3.29Å; R143-V187 HydrophobicContact CG-CG2 4.19Å
144	F	92.8	Very high	90.9	Very high	47 Å²	47	46.6 Å²	46.6	21%	0.206	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	123.3	175.8	-60.5	-89.4	0	0	0	109.1	I132 I134 T142 L146 E185 L186 V188	I132-F144 HydrophobicContact CG2-CD1 4.22Å; I132-F144 HydrophobicContact CG2-CG 4.38Å; I134-F144 HydrophobicContact CB-CE2 4.4Å; I134-F144 HydrophobicContact CB-CZ 4.19Å; I134-F144 HydrophobicContact CD1-CD2 3.79Å; I134-F144 HydrophobicContact CD1-CE2 3.73Å; I134-F144 HydrophobicContact CD1-CG 4.37Å; I134-F144 HydrophobicContact CD1-CZ 4.25Å; I134-F144 HydrophobicContact CG1-CD1 4.47Å; I134-F144 HydrophobicContact CG1-CD2 4.19Å; I134-F144 HydrophobicContact CG1-CE1 4.14Å; I134-F144 HydrophobicContact CG1-CE2 3.84Å; I134-F144 HydrophobicContact CG1-CZ 3.83Å; I134-F144 HydrophobicContact CG2-CE2 3.77Å; I134-F144 HydrophobicContact CG2-CZ 3.72Å; T142-F144 HydrophobicContact CG2-CE2 3.7Å; T142-F144 HydrophobicContact CG2-CZ 3.84Å; F144-L146 PolarHBondContact O-N 2.94Å; F144-E185 CarbonylContact O-C 3.58Å; F144-E185 WeakPolarHBondContact O-CA 3.39Å; F144-L186 HydrophobicContact CB-CB 4.34Å; F144-L186 PolarHBondContact N-O 2.97Å; F144-L186 PolarHBondContact O-N 2.86Å; F144-V188 HydrophobicContact CD2-CG2 4.45Å; F144-V188 HydrophobicContact CE2-CG2 3.94Å
145	P	90.8	Very high	90.3	Very high	110 Å²	110	49.2 Å²	49.2	71%	0.714	31%	0.311	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.2	131.5	178.3	29.1	-33.6	0	0	0	110.1
146	L	90.9	Very high	89.9	Confident	17 Å²	17	52.6 Å²	52.6	9%	0.089	33%	0.325	C	S	.	.			trans	-98.5	147.8	176.2	-61.6	168.4	0	0	0	110.6	I130 I132 F144 G148 L172 A184 L186 I204 L220	I130-L146 HydrophobicContact CG2-CD2 4.35Å; I132-L146 HydrophobicContact CD1-CD2 3.58Å; F144-L146 PolarHBondContact O-N 2.94Å; L146-G148 PolarHBondContact O-N 2.77Å; L146-L172 HydrophobicContact CD1-CD2 3.59Å; L146-A184 WeakPolarHBondContact CB-O 3.02Å; L146-A184 HydrophobicContact CD1-CB 3.88Å; L146-A184 PolarHBondContact N-O 2.84Å; L146-L186 HydrophobicContact CD1-CB 4.07Å; L146-L186 HydrophobicContact CD2-CB 4.16Å; L146-L186 HydrophobicContact CG-CB 4.14Å; L146-I204 HydrophobicContact CD1-CD1 3.87Å; L146-I204 HydrophobicContact CD2-CD1 4.29Å; L146-L220 HydrophobicContact CD2-CD1 4.36Å
147	E	85.8	Confident	89.5	Confident	126 Å²	126	54.2 Å²	54.2	59%	0.589	33%	0.332	S	S	*	.			trans	-71.2	108.2	163.5	-64.7	-157.4	157.4	0	0	108.8	P126	P126-E147 HydrophobicContact CG-CB 4.04Å; P126-E147 VanDerWaalsContact CG-OE2 3.24Å; P126-E147 WeakPolarHBondContact CG-OE2 3.42Å
148	G	85.2	Confident	89.3	Confident	21 Å²	21	50 Å²	50	22%	0.216	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-66.3	161.2	179.3	0	0	0	0	0	113	L146 Y162	L146-G148 PolarHBondContact O-N 2.77Å; G148-Y162 VanDerWaalsContact CA-OH 3.29Å; G148-Y162 WeakPolarHBondContact CA-OH 3.4Å
149	A	89.9	Confident	89.2	Confident	11 Å²	11	50.2 Å²	50.2	9%	0.091	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-69.4	138.8	169.7	0	0	0	0	0	110	P123 R124 F125 V159 Y162 A206	P123-A149 HydrophobicContact CB-CB 4.14Å; R124-A149 CarbonylContact O-C 3.59Å; R124-A149 WeakPolarHBondContact O-CA 3.49Å; F125-A149 HydrophobicContact CD1-CB 4.07Å; F125-A149 HydrophobicContact CD2-CB 4.26Å; F125-A149 HydrophobicContact CE1-CB 3.93Å; F125-A149 HydrophobicContact CE2-CB 4.12Å; F125-A149 HydrophobicContact CG-CB 4.24Å; F125-A149 HydrophobicContact CZ-CB 3.95Å; A149-V159 HydrophobicContact CB-CG2 4.25Å; A149-Y162 HydrophobicContact CB-CE1 4.22Å; A149-Y162 PolarHBondContact N-OH 2.75Å; A149-Y162 PolarHBondContact O-OH 3Å; A149-A206 HydrophobicContact CB-CB 3.47Å; A149-A206 VanDerWaalsContact CB-CB 3.47Å
150	S	88.9	Confident	89	Confident	70 Å²	70	49 Å²	49	49%	0.49	30%	0.298	S	S	.	.	B	Isolated β-bridge	trans	-91.8	130.7	165.3	59.2	0	0	0	0	109.5	R124	R124-S150 PolarHBondContact N-O 3.19Å; R124-S150 PolarHBondContact O-N 2.85Å; R124-S150 PolarHBondContact O-OG 3.17Å
151	D	90.2	Very high	88.8	Confident	3 Å²	3	46.9 Å²	46.9	2%	0.016	29%	0.285	C	S	.	.			trans	-118.5	130.8	164.4	-155.1	-43.4	0	0	0	108	Q91 P123 D153 V159	Q91-D151 PolarHBondContact NE2-O 3.29Å; P123-D151 WeakPolarHBondContact CA-OD2 3.47Å; P123-D151 WeakPolarHBondContact CD-OD2 3.33Å; P123-D151 WeakPolarHBondContact CG-OD2 3.32Å; D151-D153 PolarHBondContact O-N 2.82Å; D151-D153 WeakPolarHBondContact OD1-CB 3.13Å; D151-D153 PolarHBondContact OD1-N 3.25Å; D151-D153 VanDerWaalsContact OD1-N 3.16Å; D151-V159 HydrophobicContact CB-CG2 3.7Å
152	P	87.9	Confident	88.9	Confident	52 Å²	52	45.5 Å²	45.5	34%	0.338	27%	0.266	S	S	.	.	S	Bend	trans	-61.1	-33.4	172.9	-23.4	35.2	0	0	0	113.4	D86 Q91 N121	D86-P152 HydrophobicContact CB-CB 3.77Å; Q91-P152 WeakPolarHBondContact CG-O 3.37Å; N121-P152 HydrophobicContact CB-CB 4.34Å; N121-P152 HydrophobicContact CB-CG 3.88Å
153	D	88.5	Confident	88.8	Confident	2 Å²	2	46.3 Å²	46.3	1%	0.011	27%	0.274	C	S	.	.			trans	-66.5	160	-171.9	-60.5	7.4	0	0	0	111.7	N119 D120 N121 D151 F157 G158	N119-D153 WeakPolarHBondContact CA-OD2 3.35Å; D120-D153 PolarHBondContact N-OD2 2.86Å; N121-D153 VanDerWaalsContact CB-OD1 3.25Å; N121-D153 WeakPolarHBondContact CB-OD1 3.48Å; N121-D153 PolarHBondContact ND2-OD1 2.81Å; D151-D153 PolarHBondContact O-N 2.82Å; D151-D153 WeakPolarHBondContact OD1-CB 3.13Å; D151-D153 PolarHBondContact OD1-N 3.25Å; D151-D153 VanDerWaalsContact OD1-N 3.16Å; D153-F157 HydrophobicContact CB-CB 3.78Å; D153-G158 WeakPolarHBondContact O-CA 3.46Å
154	S	84.1	Confident	88.9	Confident	7 Å²	7	42.5 Å²	42.5	5%	0.049	26%	0.261	C	S	.	.			trans	-116.5	175.3	-171.4	-165.1	0	0	0	0	113.2	R85 Q91 P93 D117 I156 F157 G158	R85-S154 VanDerWaalsContact NH2-N 3.19Å; Q91-S154 PolarHBondContact O-OG 2.79Å; P93-S154 WeakPolarHBondContact CA-OG 3.11Å; D117-S154 WeakPolarHBondContact OD2-CA 3.23Å; D117-S154 WeakPolarHBondContact OD2-CB 3.09Å; D117-S154 PolarHBondContact OD2-N 2.93Å; D117-S154 VanDerWaalsContact OD2-O 3.14Å; S154-I156 PolarHBondContact O-N 2.8Å; S154-F157 PolarHBondContact O-N 2.89Å; S154-G158 PolarHBondContact O-N 2.88Å
155	G	82.5	Confident	89	Confident	57 Å²	57	43 Å²	43	59%	0.588	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.3	-101.9	173.5	0	0	0	0	0	113.8	Q160	G155-Q160 PolarHBondContact O-NE2 2.76Å
156	I	85.1	Confident	89	Confident	106 Å²	106	44 Å²	44	54%	0.544	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.4	-21	178.4	57.7	168.1	0	0	0	113.5	S154 Q160 G209	S154-I156 PolarHBondContact O-N 2.8Å; I156-Q160 WeakPolarHBondContact O-CG 3.35Å; I156-Q160 PolarHBondContact O-NE2 2.88Å; I156-G209 CarbonylContact O-C 3.48Å; I156-G209 WeakPolarHBondContact O-CA 3.45Å; I156-G209 PolarHBondContact O-N 2.98Å
157	F	87.1	Confident	89.1	Confident	44 Å²	44	45.3 Å²	45.3	19%	0.193	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-18.8	-178.2	-57.8	-32.6	0	0	0	112.8	D117 N119 D153 S154 D208	D117-F157 HydrophobicContact CB-CD2 3.77Å; D117-F157 HydrophobicContact CB-CE2 3.97Å; N119-F157 HydrophobicContact CB-CB 4.06Å; N119-F157 HydrophobicContact CB-CD1 3.84Å; N119-F157 HydrophobicContact CB-CD2 4.12Å; N119-F157 HydrophobicContact CB-CE1 4.32Å; N119-F157 HydrophobicContact CB-CG 3.75Å; D153-F157 HydrophobicContact CB-CB 3.78Å; S154-F157 PolarHBondContact O-N 2.89Å; F157-D208 WeakPolarHBondContact O-CB 3.42Å
158	G	86.9	Confident	89.4	Confident	11 Å²	11	45.9 Å²	45.9	11%	0.113	28%	0.284	C	S	.	.	S	Bend	trans	-67.5	163.3	160.4	0	0	0	0	0	112.5	D153 S154 Q160	D153-G158 WeakPolarHBondContact O-CA 3.46Å; S154-G158 PolarHBondContact O-N 2.88Å; G158-Q160 WeakPolarHBondContact O-CG 3.2Å; G158-Q160 PolarHBondContact O-N 2.95Å; G158-Q160 PolarHBondContact O-NE2 2.86Å
159	V	90.4	Very high	89.8	Confident	15 Å²	15	46.4 Å²	46.4	9%	0.091	28%	0.282	C	S	.	.			trans	-46.3	121.7	-173.7	-168.9	0	0	0	0	113.9	P123 A149 D151 Y162 A206	P123-V159 HydrophobicContact CB-CG2 4.1Å; P123-V159 HydrophobicContact CG-CG2 4.32Å; A149-V159 HydrophobicContact CB-CG2 4.25Å; D151-V159 HydrophobicContact CB-CG2 3.7Å; V159-Y162 HydrophobicContact CG1-CD2 4.43Å; V159-Y162 HydrophobicContact CG1-CE1 4.49Å; V159-Y162 HydrophobicContact CG1-CE2 3.83Å; V159-A206 HydrophobicContact CG1-CB 4.03Å
160	Q	88.8	Confident	90	Very high	51 Å²	51	46.1 Å²	46.1	24%	0.238	28%	0.278	C	S	.	.			trans	-107.6	-35.9	179.8	-62.5	-52.9	-43.1	0	0	114.7	G155 I156 G158 K182 E207 G209	G155-Q160 PolarHBondContact O-NE2 2.76Å; I156-Q160 WeakPolarHBondContact O-CG 3.35Å; I156-Q160 PolarHBondContact O-NE2 2.88Å; G158-Q160 WeakPolarHBondContact O-CG 3.2Å; G158-Q160 PolarHBondContact O-N 2.95Å; G158-Q160 PolarHBondContact O-NE2 2.86Å; Q160-K182 WeakPolarHBondContact O-CD 3.33Å; Q160-K182 WeakPolarHBondContact O-CE 3.41Å; Q160-K182 PolarHBondContact O-NZ 2.78Å; Q160-E207 PolarHBondContact N-O 2.9Å; Q160-G209 VanDerWaalsContact CG-N 3.34Å
161	S	90.4	Very high	90.2	Very high	38 Å²	38	43.6 Å²	43.6	27%	0.266	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	152.8	-177.9	-35.2	0	0	0	0	111.2	A206 E207	S161-A206 WeakPolarHBondContact O-CA 3.4Å; S161-E207 WeakPolarHBondContact CB-OE2 3.43Å; S161-E207 PolarHBondContact N-O 3.34Å; S161-E207 PolarHBondContact O-N 3.3Å; S161-E207 PolarHBondContact OG-OE2 2.81Å
162	Y	93.5	Very high	90.4	Very high	14 Å²	14	45.2 Å²	45.2	6%	0.055	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	140.3	154.9	-67.3	-95.2	0	0	0	108.3	F125 G148 A149 V159 I174 K182 A184 I204 S205 A206	F125-Y162 HydrophobicContact CE1-CE1 4.08Å; F125-Y162 HydrophobicContact CZ-CD1 4.29Å; F125-Y162 HydrophobicContact CZ-CE1 4.12Å; G148-Y162 VanDerWaalsContact CA-OH 3.29Å; G148-Y162 WeakPolarHBondContact CA-OH 3.4Å; A149-Y162 HydrophobicContact CB-CE1 4.22Å; A149-Y162 PolarHBondContact N-OH 2.75Å; A149-Y162 PolarHBondContact O-OH 3Å; V159-Y162 HydrophobicContact CG1-CD2 4.43Å; V159-Y162 HydrophobicContact CG1-CE1 4.49Å; V159-Y162 HydrophobicContact CG1-CE2 3.83Å; Y162-I174 HydrophobicContact CD2-CG1 4.48Å; Y162-I174 HydrophobicContact CD2-CG2 4.39Å; Y162-K182 HydrophobicContact CE2-CB 4.15Å; Y162-K182 VanDerWaalsContact CE2-O 3.32Å; Y162-K182 WeakPolarHBondContact CE2-O 3.5Å; Y162-K182 PolarHBondContact OH-O 3.27Å; Y162-A184 HydrophobicContact CD1-CB 4.22Å; Y162-A184 HydrophobicContact CD2-CB 4.18Å; Y162-A184 HydrophobicContact CG-CB 3.91Å; Y162-I204 HydrophobicContact CD1-CG2 4.34Å; Y162-S205 CarbonylContact C-O 3.59Å; Y162-S205 VanDerWaalsContact CA-O 3.3Å; Y162-S205 WeakPolarHBondContact CA-O 3.45Å; Y162-A206 HydrophobicContact CD1-CB 3.86Å; Y162-A206 HydrophobicContact CE1-CB 3.76Å
163	S	92.6	Very high	90.6	Very high	64 Å²	64	46.1 Å²	46.1	45%	0.448	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	155	170.8	79.7	0	0	0	0	110.6	I204 S205	S163-I204 CarbonylContact O-C 3.53Å; S163-I204 WeakPolarHBondContact O-CA 3.37Å; S163-S205 PolarHBondContact N-O 3.12Å; S163-S205 PolarHBondContact O-N 3.44Å; S163-S205 PolarHBondContact OG-OG 2.78Å
164	I	94.9	Very high	90.8	Very high	26 Å²	26	49.4 Å²	49.4	13%	0.133	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	153.1	175.1	-171.5	167.7	0	0	0	108.6	F170 L172 L186 Y202 E203 I204 L220	I164-F170 HydrophobicContact CD1-CB 4.48Å; I164-L172 HydrophobicContact CB-CD1 3.98Å; I164-L172 HydrophobicContact CB-CD2 4.46Å; I164-L172 HydrophobicContact CB-CG 3.92Å; I164-L172 HydrophobicContact CG2-CD1 4.46Å; I164-L172 HydrophobicContact CG2-CG 3.98Å; I164-L186 HydrophobicContact CD1-CD1 3.91Å; I164-Y202 HydrophobicContact CD1-CD2 4.4Å; I164-Y202 HydrophobicContact CD1-CG 4.3Å; I164-Y202 HydrophobicContact CG1-CG 4.48Å; I164-E203 CarbonylContact C-O 3.51Å; I164-E203 WeakPolarHBondContact CA-O 3.21Å; I164-I204 HydrophobicContact CG1-CG1 4.41Å; I164-L220 HydrophobicContact CD1-CD2 3.9Å
165	T	94.2	Very high	90.9	Very high	59 Å²	59	52.6 Å²	52.6	36%	0.362	30%	0.302	S	S	.	.			trans	-46.1	126.8	169.9	-43.9	0	0	0	0	110.6	N167 E203	T165-N167 PolarHBondContact O-N 2.78Å; T165-N167 VanDerWaalsContact O-N 3.14Å; T165-N167 PolarHBondContact O-ND2 3.43Å; T165-E203 PolarHBondContact N-O 3.22Å; T165-E203 WeakPolarHBondContact OG1-CB 3.32Å; T165-E203 PolarHBondContact OG1-N 2.79Å; T165-E203 PolarHBondContact OG1-O 3.01Å
166	P	92.3	Very high	91.1	Very high	129 Å²	129	54.3 Å²	54.3	84%	0.838	30%	0.301	S	S	*	.	S	Bend	trans	-55.7	119.9	-178	-28.7	36	0	0	0	112.3
167	N	92.5	Very high	90.8	Very high	45 Å²	45	55.7 Å²	55.7	24%	0.241	30%	0.299	C	S	.	.			trans	-152.4	170.9	-177.2	78.9	91.1	0	0	0	109.6	T165 L169 F170 Y202	T165-N167 PolarHBondContact O-N 2.78Å; T165-N167 VanDerWaalsContact O-N 3.14Å; T165-N167 PolarHBondContact O-ND2 3.43Å; N167-L169 PolarHBondContact OD1-N 3Å; N167-F170 PolarHBondContact ND2-O 2.8Å; N167-F170 PolarHBondContact OD1-N 3.48Å; N167-F170 PolarHBondContact OD1-O 2.95Å; N167-Y202 HydrophobicContact CB-CD1 4.26Å; N167-Y202 HydrophobicContact CB-CE1 3.52Å
168	E	91.6	Very high	90.1	Very high	138 Å²	138	58.2 Å²	58.2	65%	0.645	34%	0.337	S	S	*	.	S	Bend	trans	-104.2	-6.9	-176.3	-58.8	-166.6	174.1	0	0	115.1	K190	E168-K190 HydrophobicContact CB-CD 4.32Å; E168-K190 VanDerWaalsContact O-CD 3.32Å; E168-K190 WeakPolarHBondContact O-CD 3.41Å; E168-K190 WeakPolarHBondContact O-CG 3.37Å; E168-K190 IonicContact OE2-NZ 3.9Å; E168-K190 PolarHBondContact OE2-NZ 2.72Å
169	L	93.4	Very high	89.3	Confident	33 Å²	33	63.4 Å²	63.4	17%	0.173	36%	0.363	C	S	.	.	S	Bend	trans	-101.1	-32.2	-171.2	-61.2	179	0	0	0	112.7	N167 Q189 K190 L192 Y200	N167-L169 PolarHBondContact OD1-N 3Å; L169-Q189 PolarHBondContact O-N 3.17Å; L169-K190 HydrophobicContact CD2-CB 3.98Å; L169-K190 HydrophobicContact CD2-CD 4.28Å; L169-L192 HydrophobicContact CB-CD2 4.19Å; L169-L192 HydrophobicContact CD1-CD2 4.21Å; L169-L192 HydrophobicContact CD2-CD2 4.43Å; L169-Y200 HydrophobicContact CD1-CD1 4.05Å; L169-Y200 HydrophobicContact CD1-CE1 3.34Å; L169-Y200 HydrophobicContact CD1-CE2 4.23Å; L169-Y200 VanDerWaalsContact CD1-CZ 3.43Å; L169-Y200 WeakPolarHBondContact CD1-OH 3.49Å
170	F	94.8	Very high	88.5	Confident	4 Å²	4	65 Å²	65	2%	0.018	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	128.2	-172.8	-55.1	-83.5	0	0	0	111.8	I134 I164 N167 L186 V188 L192 Y200 Y202 I222	I134-F170 HydrophobicContact CD1-CE1 3.82Å; I164-F170 HydrophobicContact CD1-CB 4.48Å; N167-F170 PolarHBondContact ND2-O 2.8Å; N167-F170 PolarHBondContact OD1-N 3.48Å; N167-F170 PolarHBondContact OD1-O 2.95Å; F170-L186 HydrophobicContact CB-CD1 3.87Å; F170-L186 HydrophobicContact CB-CG 4.46Å; F170-L186 HydrophobicContact CD1-CD1 4.44Å; F170-L186 HydrophobicContact CD1-CD2 4.09Å; F170-L186 HydrophobicContact CD1-CG 4.2Å; F170-L186 HydrophobicContact CG-CD1 4.45Å; F170-V188 HydrophobicContact CD1-CG2 4.35Å; F170-V188 HydrophobicContact CE1-CG2 4.17Å; F170-L192 HydrophobicContact CE1-CD1 3.94Å; F170-L192 HydrophobicContact CE1-CD2 4.12Å; F170-L192 HydrophobicContact CE2-CD2 3.97Å; F170-L192 HydrophobicContact CZ-CD1 3.7Å; F170-L192 HydrophobicContact CZ-CD2 3.46Å; F170-L192 VanDerWaalsContact CZ-CD2 3.46Å; F170-L192 HydrophobicContact CZ-CG 4.22Å; F170-Y200 HydrophobicContact CE2-CD2 4.25Å; F170-Y200 HydrophobicContact CE2-CG 4.39Å; F170-Y202 HydrophobicContact CD2-CD2 4.35Å; F170-Y202 AromaticContact CD2-CE2 3.49Å; F170-Y202 HydrophobicContact CD2-CE2 3.49Å; F170-Y202 VanDerWaalsContact CD2-CE2 3.49Å; F170-Y202 AromaticContact CE2-CE2 3.87Å; F170-Y202 HydrophobicContact CE2-CE2 3.87Å; F170-Y202 HydrophobicContact CG-CE2 4.49Å; F170-I222 HydrophobicContact CD1-CD1 3.83Å; F170-I222 HydrophobicContact CD2-CD1 3.69Å; F170-I222 HydrophobicContact CE1-CD1 3.66Å; F170-I222 HydrophobicContact CE1-CG2 4.48Å; F170-I222 HydrophobicContact CE2-CD1 3.52Å; F170-I222 HydrophobicContact CG-CD1 3.84Å; F170-I222 HydrophobicContact CZ-CD1 3.5Å; F170-I222 VanDerWaalsContact CZ-CD1 3.5Å; F170-I222 HydrophobicContact CZ-CG2 4.04Å
171	G	93.3	Very high	88	Confident	17 Å²	17	64.3 Å²	64.3	18%	0.175	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	171.4	169.7	0	0	0	0	0	111.4	V187	G171-V187 PolarHBondContact N-O 3.13Å; G171-V187 PolarHBondContact O-N 2.59Å
172	L	94.1	Very high	87.8	Confident	37 Å²	37	64.9 Å²	64.9	19%	0.194	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	133.4	168.4	-60.2	-176.3	0	0	0	110	L146 I164 A184 E185 L186 I204	L146-L172 HydrophobicContact CD1-CD2 3.59Å; I164-L172 HydrophobicContact CB-CD1 3.98Å; I164-L172 HydrophobicContact CB-CD2 4.46Å; I164-L172 HydrophobicContact CB-CG 3.92Å; I164-L172 HydrophobicContact CG2-CD1 4.46Å; I164-L172 HydrophobicContact CG2-CG 3.98Å; L172-A184 HydrophobicContact CD1-CB 4.39Å; L172-A184 HydrophobicContact CD2-CB 4.44Å; L172-E185 WeakPolarHBondContact CA-O 3.33Å; L172-L186 HydrophobicContact CD2-CD1 3.87Å; L172-I204 HydrophobicContact CD1-CG2 4.1Å
173	E	92.3	Very high	87.5	Confident	72 Å²	72	65.8 Å²	65.8	34%	0.336	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	119.5	165.2	-169.7	178.7	120.5	0	0	109.6	R143 K175 A184 E185 V187	R143-E173 IonicContact CZ-OE1 3.43Å; R143-E173 IonicContact CZ-OE2 3.53Å; R143-E173 IonicContact NH1-OE1 3.97Å; R143-E173 PolarHBondContact NH1-OE1 3.5Å; R143-E173 IonicContact NH1-OE2 3.97Å; R143-E173 PolarHBondContact NH1-OE2 3.28Å; R143-E173 VanDerWaalsContact NH1-OE2 3.16Å; R143-E173 IonicContact NH2-OE1 2.61Å; R143-E173 PolarHBondContact NH2-OE1 3.36Å; R143-E173 IonicContact NH2-OE2 3.97Å; R143-E173 PolarHBondContact NH2-OE2 2.86Å; E173-K175 WeakPolarHBondContact OE1-CE 3.49Å; E173-A184 WeakPolarHBondContact O-CA 3.37Å; E173-E185 PolarHBondContact N-O 3.25Å; E173-E185 PolarHBondContact O-N 2.97Å; E173-V187 HydrophobicContact CB-CG2 3.79Å
174	I	91.3	Very high	87.4	Confident	71 Å²	71	62.8 Å²	62.8	36%	0.364	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	123.8	-178.9	-53.7	172.8	0	0	0	109.3	Y162 K182 I183	Y162-I174 HydrophobicContact CD2-CG1 4.48Å; Y162-I174 HydrophobicContact CD2-CG2 4.39Å; I174-K182 HydrophobicContact CG2-CB 4.07Å; I174-K182 HydrophobicContact CG2-CD 4.28Å; I174-K182 HydrophobicContact CG2-CG 4.32Å; I174-I183 CarbonylContact C-O 3.52Å; I174-I183 WeakPolarHBondContact CA-O 3.07Å
175	K	87.7	Confident	87.4	Confident	74 Å²	74	63 Å²	63	32%	0.322	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	127.8	175	-68.4	-177.5	177.9	174.2	0	110.9	R143 E173 I183 E185	R143-K175 VanDerWaalsContact NH1-CE 3.33Å; E173-K175 WeakPolarHBondContact OE1-CE 3.49Å; K175-I183 HydrophobicContact CB-CG1 4.21Å; K175-I183 PolarHBondContact N-O 2.84Å; K175-I183 WeakPolarHBondContact O-CG1 3.38Å; K175-I183 PolarHBondContact O-N 2.94Å; K175-E185 WeakPolarHBondContact CD-OE1 3.3Å; K175-E185 VanDerWaalsContact CE-CD 3.49Å; K175-E185 WeakPolarHBondContact CE-OE1 3.41Å; K175-E185 WeakPolarHBondContact CE-OE2 3.18Å; K175-E185 IonicContact NZ-OE1 3.74Å; K175-E185 PolarHBondContact NZ-OE1 3.48Å; K175-E185 IonicContact NZ-OE2 3.13Å; K175-E185 PolarHBondContact NZ-OE2 2.8Å
176	T	85.9	Confident	87.4	Confident	93 Å²	93	60.2 Å²	60.2	57%	0.571	35%	0.349	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.8	125.9	170.4	-44.3	0	0	0	0	109.6	S181 K182	T176-S181 CarbonylContact C-O 3.59Å; T176-S181 WeakPolarHBondContact CA-O 3.45Å; T176-K182 HydrophobicContact CG2-CG 4.45Å
177	R	78.9	Confident	87.5	Confident	134 Å²	134	54.5 Å²	54.5	51%	0.506	31%	0.312	S	S	.	.			trans	-78	165.8	173.6	-72.3	175.6	170.7	177.4	1.1	111	D179 G180 S181 I183	R177-D179 WeakPolarHBondContact CB-OD1 3.17Å; R177-D179 PolarHBondContact O-N 3.25Å; R177-D179 VanDerWaalsContact O-N 3.13Å; R177-G180 PolarHBondContact O-N 2.96Å; R177-S181 WeakPolarHBondContact CD-OG 3.41Å; R177-S181 PolarHBondContact N-O 2.85Å; R177-I183 HydrophobicContact CG-CG1 4.45Å
178	G	72.3	Confident	87.6	Confident	97 Å²	97	52.4 Å²	52.4	100%	1	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-9.7	-178.9	0	0	0	0	0	115.5
179	D	70.9	Confident	87.7	Confident	120 Å²	120	50.9 Å²	50.9	64%	0.642	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.1	-6.1	171.9	50.2	32	0	0	0	113.1	R177 S181	R177-D179 WeakPolarHBondContact CB-OD1 3.17Å; R177-D179 PolarHBondContact O-N 3.25Å; R177-D179 VanDerWaalsContact O-N 3.13Å; D179-S181 VanDerWaalsContact OD1-CB 3.26Å; D179-S181 WeakPolarHBondContact OD1-CB 3.24Å; D179-S181 PolarHBondContact OD1-N 3.47Å; D179-S181 PolarHBondContact OD1-OG 2.88Å
180	G	73.3	Confident	87.7	Confident	49 Å²	49	53.8 Å²	53.8	51%	0.505	31%	0.305	S	S	.	.	S	Bend	trans	92.9	-11.7	-175.5	0	0	0	0	0	114.6	R177	R177-G180 PolarHBondContact O-N 2.96Å
181	S	77.9	Confident	87.6	Confident	37 Å²	37	57.7 Å²	57.7	26%	0.259	33%	0.333	S	S	.	.			trans	-68.6	149.7	177.3	68.8	0	0	0	0	111.8	T176 R177 D179	T176-S181 CarbonylContact C-O 3.59Å; T176-S181 WeakPolarHBondContact CA-O 3.45Å; R177-S181 WeakPolarHBondContact CD-OG 3.41Å; R177-S181 PolarHBondContact N-O 2.85Å; D179-S181 VanDerWaalsContact OD1-CB 3.26Å; D179-S181 WeakPolarHBondContact OD1-CB 3.24Å; D179-S181 PolarHBondContact OD1-N 3.47Å; D179-S181 PolarHBondContact OD1-OG 2.88Å
182	K	85.4	Confident	87.6	Confident	49 Å²	49	57.5 Å²	57.5	21%	0.213	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	137.3	-179.9	-68.2	174.8	-177.5	169.2	0	111.1	Q160 Y162 I174 T176	Q160-K182 WeakPolarHBondContact O-CD 3.33Å; Q160-K182 WeakPolarHBondContact O-CE 3.41Å; Q160-K182 PolarHBondContact O-NZ 2.78Å; Y162-K182 HydrophobicContact CE2-CB 4.15Å; Y162-K182 VanDerWaalsContact CE2-O 3.32Å; Y162-K182 WeakPolarHBondContact CE2-O 3.5Å; Y162-K182 PolarHBondContact OH-O 3.27Å; I174-K182 HydrophobicContact CG2-CB 4.07Å; I174-K182 HydrophobicContact CG2-CD 4.28Å; I174-K182 HydrophobicContact CG2-CG 4.32Å; T176-K182 HydrophobicContact CG2-CG 4.45Å
183	I	87.8	Confident	87.6	Confident	33 Å²	33	58.9 Å²	58.9	17%	0.169	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	158.3	171.4	56.2	164.4	0	0	0	110.3	I174 K175 R177	I174-I183 CarbonylContact C-O 3.52Å; I174-I183 WeakPolarHBondContact CA-O 3.07Å; K175-I183 HydrophobicContact CB-CG1 4.21Å; K175-I183 PolarHBondContact N-O 2.84Å; K175-I183 WeakPolarHBondContact O-CG1 3.38Å; K175-I183 PolarHBondContact O-N 2.94Å; R177-I183 HydrophobicContact CG-CG1 4.45Å
184	A	91.1	Very high	87.8	Confident	2 Å²	2	57 Å²	57	2%	0.017	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	144.6	172.2	0	0	0	0	0	111.2	L146 Y162 L172 E173	L146-A184 WeakPolarHBondContact CB-O 3.02Å; L146-A184 HydrophobicContact CD1-CB 3.88Å; L146-A184 PolarHBondContact N-O 2.84Å; Y162-A184 HydrophobicContact CD1-CB 4.22Å; Y162-A184 HydrophobicContact CD2-CB 4.18Å; Y162-A184 HydrophobicContact CG-CB 3.91Å; L172-A184 HydrophobicContact CD1-CB 4.39Å; L172-A184 HydrophobicContact CD2-CB 4.44Å; E173-A184 WeakPolarHBondContact O-CA 3.37Å
185	E	93.4	Very high	87.9	Confident	30 Å²	30	56.7 Å²	56.7	14%	0.14	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	132	158.9	-69.5	173.8	179.7	0	0	107.9	R143 F144 L172 E173 K175	R143-E185 WeakPolarHBondContact CD-OE2 3.35Å; R143-E185 IonicContact CZ-OE2 3.79Å; R143-E185 IonicContact NH1-OE2 2.7Å; R143-E185 PolarHBondContact NH1-OE2 2.81Å; F144-E185 CarbonylContact O-C 3.58Å; F144-E185 WeakPolarHBondContact O-CA 3.39Å; L172-E185 WeakPolarHBondContact CA-O 3.33Å; E173-E185 PolarHBondContact N-O 3.25Å; E173-E185 PolarHBondContact O-N 2.97Å; K175-E185 WeakPolarHBondContact CD-OE1 3.3Å; K175-E185 VanDerWaalsContact CE-CD 3.49Å; K175-E185 WeakPolarHBondContact CE-OE1 3.41Å; K175-E185 WeakPolarHBondContact CE-OE2 3.18Å; K175-E185 IonicContact NZ-OE1 3.74Å; K175-E185 PolarHBondContact NZ-OE1 3.48Å; K175-E185 IonicContact NZ-OE2 3.13Å; K175-E185 PolarHBondContact NZ-OE2 2.8Å
186	L	94.6	Very high	88.2	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	125.3	168.3	-172.6	73.4	0	0	0	108	I132 I134 R143 F144 L146 I164 F170 L172 L220 I222	I132-L186 HydrophobicContact CD1-CD2 4.05Å; I134-L186 HydrophobicContact CD1-CD2 4.05Å; R143-L186 CarbonylContact C-O 3.57Å; R143-L186 VanDerWaalsContact CA-O 3.3Å; R143-L186 WeakPolarHBondContact CA-O 3.29Å; F144-L186 HydrophobicContact CB-CB 4.34Å; F144-L186 PolarHBondContact N-O 2.97Å; F144-L186 PolarHBondContact O-N 2.86Å; L146-L186 HydrophobicContact CD1-CB 4.07Å; L146-L186 HydrophobicContact CD2-CB 4.16Å; L146-L186 HydrophobicContact CG-CB 4.14Å; I164-L186 HydrophobicContact CD1-CD1 3.91Å; F170-L186 HydrophobicContact CB-CD1 3.87Å; F170-L186 HydrophobicContact CB-CG 4.46Å; F170-L186 HydrophobicContact CD1-CD1 4.44Å; F170-L186 HydrophobicContact CD1-CD2 4.09Å; F170-L186 HydrophobicContact CD1-CG 4.2Å; F170-L186 HydrophobicContact CG-CD1 4.45Å; L172-L186 HydrophobicContact CD2-CD1 3.87Å; L186-L220 HydrophobicContact CD1-CD2 3.86Å; L186-L220 HydrophobicContact CD2-CD2 4.13Å; L186-I222 HydrophobicContact CD2-CD1 3.92Å
187	V	94.7	Very high	88.5	Confident	10 Å²	10	58.4 Å²	58.4	6%	0.061	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	119.9	-177.9	-175	0	0	0	0	109.9	T142 R143 G171 E173 Q189	T142-V187 WeakPolarHBondContact O-CA 3.38Å; R143-V187 HydrophobicContact CG-CG2 4.19Å; G171-V187 PolarHBondContact N-O 3.13Å; G171-V187 PolarHBondContact O-N 2.59Å; E173-V187 HydrophobicContact CB-CG2 3.79Å; V187-Q189 PolarHBondContact O-N 3.06Å; V187-Q189 PolarHBondContact O-NE2 2.82Å
188	V	95.3	Very high	89.2	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	119.8	173.9	-179.7	0	0	0	0	109	A138 G141 T142 F144 F170 K190	A138-V188 HydrophobicContact CB-CG2 4.5Å; G141-V188 PolarHBondContact N-O 2.94Å; T142-V188 PolarHBondContact O-N 2.81Å; F144-V188 HydrophobicContact CD2-CG2 4.45Å; F144-V188 HydrophobicContact CE2-CG2 3.94Å; F170-V188 HydrophobicContact CD1-CG2 4.35Å; F170-V188 HydrophobicContact CE1-CG2 4.17Å; V188-K190 WeakPolarHBondContact CG1-O 3.26Å
189	Q	93	Very high	90.3	Very high	107 Å²	107	54.6 Å²	54.6	50%	0.5	30%	0.299	S	S	.	.			trans	-97.7	-27.5	-176.1	-61.8	-61.9	-46.5	0	0	113	L169 V187	L169-Q189 PolarHBondContact O-N 3.17Å; V187-Q189 PolarHBondContact O-N 3.06Å; V187-Q189 PolarHBondContact O-NE2 2.82Å
190	K	93.1	Very high	91.4	Very high	94 Å²	94	49.9 Å²	49.9	41%	0.409	27%	0.272	S	S	.	.	S	Bend	trans	-134.9	159.7	177.9	-68.1	-176.6	179.1	-171.7	0	109.2	E168 L169 V188	E168-K190 HydrophobicContact CB-CD 4.32Å; E168-K190 VanDerWaalsContact O-CD 3.32Å; E168-K190 WeakPolarHBondContact O-CD 3.41Å; E168-K190 WeakPolarHBondContact O-CG 3.37Å; E168-K190 IonicContact OE2-NZ 3.9Å; E168-K190 PolarHBondContact OE2-NZ 2.72Å; L169-K190 HydrophobicContact CD2-CB 3.98Å; L169-K190 HydrophobicContact CD2-CD 4.28Å; V188-K190 WeakPolarHBondContact CG1-O 3.26Å
191	S	92.6	Very high	92.4	Very high	86 Å²	86	51.7 Å²	51.7	60%	0.601	27%	0.273	S	S	*	.			trans	-55.8	145.7	168.3	47.4	0	0	0	0	110.2
192	L	93.9	Very high	93.2	Very high	12 Å²	12	51.6 Å²	51.6	6%	0.063	27%	0.267	C	S	.	.			trans	-98.4	170.8	170.8	-54.7	175	0	0	0	108.8	I134 E136 L169 F170	I134-L192 HydrophobicContact CB-CD1 4.34Å; I134-L192 HydrophobicContact CG2-CD1 3.63Å; E136-L192 HydrophobicContact CB-CB 4.17Å; L169-L192 HydrophobicContact CB-CD2 4.19Å; L169-L192 HydrophobicContact CD1-CD2 4.21Å; L169-L192 HydrophobicContact CD2-CD2 4.43Å; F170-L192 HydrophobicContact CE1-CD1 3.94Å; F170-L192 HydrophobicContact CE1-CD2 4.12Å; F170-L192 HydrophobicContact CE2-CD2 3.97Å; F170-L192 HydrophobicContact CZ-CD1 3.7Å; F170-L192 HydrophobicContact CZ-CD2 3.46Å; F170-L192 VanDerWaalsContact CZ-CD2 3.46Å; F170-L192 HydrophobicContact CZ-CG 4.22Å
193	D	94.4	Very high	93.6	Very high	67 Å²	67	54.5 Å²	54.5	36%	0.358	28%	0.282	S	S	.	.			trans	-164	109.6	-170.5	165.6	-16.9	0	0	0	105.6	E195 T196 Q197	D193-E195 PolarHBondContact OD1-N 3.31Å; D193-T196 WeakPolarHBondContact OD1-CB 3.38Å; D193-T196 PolarHBondContact OD1-N 2.84Å; D193-T196 PolarHBondContact OD1-OG1 2.93Å; D193-T196 WeakPolarHBondContact OD2-CB 3.5Å; D193-T196 PolarHBondContact OD2-OG1 2.84Å; D193-Q197 PolarHBondContact O-N 2.89Å; D193-Q197 VanDerWaalsContact O-N 3.12Å
194	R	95.3	Very high	94	Very high	33 Å²	33	53 Å²	53	13%	0.125	27%	0.274	C	S	.	.	H	α-helix	trans	-77.2	-33.2	-174.3	-177.8	-152	69	104.8	5.2	111.5	E136 T196 Q197 S198 V224 D226 P261 E263	E136-R194 WeakPolarHBondContact OE2-CB 3.36Å; E136-R194 PolarHBondContact OE2-N 2.95Å; R194-T196 VanDerWaalsContact C-N 3.3Å; R194-T196 PolarHBondContact O-N 2.89Å; R194-Q197 CarbonylContact O-C 3.6Å; R194-Q197 PolarHBondContact O-N 3.14Å; R194-S198 VanDerWaalsContact CG-CB 3.47Å; R194-S198 PolarHBondContact O-N 3.33Å; R194-V224 HydrophobicContact CB-CB 4.14Å; R194-V224 HydrophobicContact CB-CG1 3.81Å; R194-V224 HydrophobicContact CG-CB 4.29Å; R194-V224 HydrophobicContact CG-CG1 4.41Å; R194-D226 IonicContact CZ-OD1 3.75Å; R194-D226 VanDerWaalsContact CZ-OD1 3.31Å; R194-D226 IonicContact NE-OD1 2.82Å; R194-D226 PolarHBondContact NE-OD1 2.91Å; R194-D226 IonicContact NH2-OD1 3.13Å; R194-P261 PolarHBondContact NH2-O 2.88Å; R194-E263 IonicContact CZ-OE2 3.23Å; R194-E263 IonicContact NH1-OE2 2.69Å; R194-E263 PolarHBondContact NH1-OE2 2.83Å
195	E	94.8	Very high	94.1	Very high	64 Å²	64	54.1 Å²	54.1	30%	0.299	28%	0.282	S	S	.	.	H	α-helix	trans	-64.5	-38.2	-179	-66.6	57	-114.9	0	0	110.3	D193 P261	D193-E195 PolarHBondContact OD1-N 3.31Å; E195-P261 HydrophobicContact CG-CB 3.9Å; E195-P261 HydrophobicContact CG-CG 4.06Å
196	T	92.9	Very high	94.1	Very high	108 Å²	108	52.7 Å²	52.7	66%	0.663	28%	0.275	S	S	*	.	H	α-helix	trans	-71.5	-51.8	168.5	-69.7	0	0	0	0	111.3	D193 R194	D193-T196 WeakPolarHBondContact OD1-CB 3.38Å; D193-T196 PolarHBondContact OD1-N 2.84Å; D193-T196 PolarHBondContact OD1-OG1 2.93Å; D193-T196 WeakPolarHBondContact OD2-CB 3.5Å; D193-T196 PolarHBondContact OD2-OG1 2.84Å; R194-T196 VanDerWaalsContact C-N 3.3Å; R194-T196 PolarHBondContact O-N 2.89Å
197	Q	92.9	Very high	94	Very high	94 Å²	94	56.1 Å²	56.1	44%	0.439	29%	0.291	S	S	.	.	H	α-helix	trans	-158.9	103.5	177.8	-178.4	170.9	-8.4	0	0	114.3	D193 R194 H199 Y200	D193-Q197 PolarHBondContact O-N 2.89Å; D193-Q197 VanDerWaalsContact O-N 3.12Å; R194-Q197 CarbonylContact O-C 3.6Å; R194-Q197 PolarHBondContact O-N 3.14Å; Q197-H199 VanDerWaalsContact C-N 3.35Å; Q197-H199 WeakPolarHBondContact CG-O 3.41Å; Q197-H199 PolarHBondContact NE2-O 2.7Å; Q197-H199 PolarHBondContact O-N 2.72Å; Q197-Y200 HydrophobicContact CB-CE1 4.16Å; Q197-Y200 HydrophobicContact CG-CD1 4.26Å; Q197-Y200 HydrophobicContact CG-CE1 3.74Å; Q197-Y200 HydrophobicContact CG-CE2 4.31Å; Q197-Y200 VanDerWaalsContact O-CE2 3.26Å; Q197-Y200 WeakPolarHBondContact O-CE2 3.11Å; Q197-Y200 PolarHBondContact O-OH 3.17Å
198	S	92.9	Very high	93.8	Very high	44 Å²	44	55.9 Å²	55.9	31%	0.308	29%	0.29	S	S	.	.	S	Bend	trans	-71.8	-15	-179.2	64.6	0	0	0	0	116.7	R194 V224	R194-S198 VanDerWaalsContact CG-CB 3.47Å; R194-S198 PolarHBondContact O-N 3.33Å; S198-V224 PolarHBondContact O-N 2.98Å
199	H	95	Very high	93.5	Very high	108 Å²	108	57.4 Å²	57.4	50%	0.5	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	134.5	-174.5	-81.7	-73.8	0	0	0	113.1	Q197 I222	Q197-H199 VanDerWaalsContact C-N 3.35Å; Q197-H199 WeakPolarHBondContact CG-O 3.41Å; Q197-H199 PolarHBondContact NE2-O 2.7Å; Q197-H199 PolarHBondContact O-N 2.72Å; H199-I222 WeakPolarHBondContact CA-O 3.43Å
200	Y	94.1	Very high	93.2	Very high	20 Å²	20	52.9 Å²	52.9	8%	0.078	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	148	174.3	-56.1	-89.2	0	0	0	111.3	L169 F170 Q197 Y202 I222 V224	L169-Y200 HydrophobicContact CD1-CD1 4.05Å; L169-Y200 HydrophobicContact CD1-CE1 3.34Å; L169-Y200 HydrophobicContact CD1-CE2 4.23Å; L169-Y200 VanDerWaalsContact CD1-CZ 3.43Å; L169-Y200 WeakPolarHBondContact CD1-OH 3.49Å; F170-Y200 HydrophobicContact CE2-CD2 4.25Å; F170-Y200 HydrophobicContact CE2-CG 4.39Å; Q197-Y200 HydrophobicContact CB-CE1 4.16Å; Q197-Y200 HydrophobicContact CG-CD1 4.26Å; Q197-Y200 HydrophobicContact CG-CE1 3.74Å; Q197-Y200 HydrophobicContact CG-CE2 4.31Å; Q197-Y200 VanDerWaalsContact O-CE2 3.26Å; Q197-Y200 WeakPolarHBondContact O-CE2 3.11Å; Q197-Y200 PolarHBondContact O-OH 3.17Å; Y200-Y202 WeakPolarHBondContact CD1-OH 3.39Å; Y200-Y202 HydrophobicContact CG-CE2 4.28Å; Y200-I222 PolarHBondContact N-O 2.71Å; Y200-I222 PolarHBondContact O-N 3.46Å; Y200-V224 HydrophobicContact CD2-CG2 4.17Å; Y200-V224 HydrophobicContact CE2-CG2 3.74Å
201	T	95	Very high	92.8	Very high	88 Å²	88	56.2 Å²	56.2	54%	0.54	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	126.8	173.1	-59.5	0	0	0	0	109.1	Q219 L220 N221	T201-Q219 HydrophobicContact CG2-CG 3.75Å; T201-L220 WeakPolarHBondContact CA-O 3.39Å; T201-N221 PolarHBondContact OG1-OD1 3Å
202	Y	95	Very high	92.6	Very high	34 Å²	34	57.2 Å²	57.2	13%	0.133	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	171.2	176.9	-58.7	-67.2	0	0	0	110	I164 N167 F170 Y200 L220 I222	I164-Y202 HydrophobicContact CD1-CD2 4.4Å; I164-Y202 HydrophobicContact CD1-CG 4.3Å; I164-Y202 HydrophobicContact CG1-CG 4.48Å; N167-Y202 HydrophobicContact CB-CD1 4.26Å; N167-Y202 HydrophobicContact CB-CE1 3.52Å; F170-Y202 HydrophobicContact CD2-CD2 4.35Å; F170-Y202 AromaticContact CD2-CE2 3.49Å; F170-Y202 HydrophobicContact CD2-CE2 3.49Å; F170-Y202 VanDerWaalsContact CD2-CE2 3.49Å; F170-Y202 AromaticContact CE2-CE2 3.87Å; F170-Y202 HydrophobicContact CE2-CE2 3.87Å; F170-Y202 HydrophobicContact CG-CE2 4.49Å; Y200-Y202 WeakPolarHBondContact CD1-OH 3.39Å; Y200-Y202 HydrophobicContact CG-CE2 4.28Å; Y202-L220 HydrophobicContact CD2-CD2 4.46Å; Y202-L220 PolarHBondContact N-O 2.7Å; Y202-L220 PolarHBondContact O-N 2.75Å; Y202-I222 HydrophobicContact CD2-CD1 4.08Å; Y202-I222 HydrophobicContact CE2-CD1 4.1Å
203	E	94.1	Very high	92.4	Very high	110 Å²	110	59.2 Å²	59.2	51%	0.514	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	129.2	172.5	-169.4	178.9	155.8	0	0	108.4	I164 T165 A217	I164-E203 CarbonylContact C-O 3.51Å; I164-E203 WeakPolarHBondContact CA-O 3.21Å; T165-E203 PolarHBondContact N-O 3.22Å; T165-E203 WeakPolarHBondContact OG1-CB 3.32Å; T165-E203 PolarHBondContact OG1-N 2.79Å; T165-E203 PolarHBondContact OG1-O 3.01Å; E203-A217 HydrophobicContact CG-CB 4.26Å; E203-A217 WeakPolarHBondContact OE1-CB 3.46Å
204	I	94.7	Very high	92.3	Very high	2 Å²	2	59.1 Å²	59.1	1%	0.01	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	126.8	169.1	-61.2	162.7	0	0	0	107.2	F125 I130 L146 Y162 S163 I164 L172 A217 V218 L220	F125-I204 HydrophobicContact CE1-CG2 4.4Å; F125-I204 HydrophobicContact CZ-CG2 3.9Å; I130-I204 HydrophobicContact CD1-CD1 4.36Å; L146-I204 HydrophobicContact CD1-CD1 3.87Å; L146-I204 HydrophobicContact CD2-CD1 4.29Å; Y162-I204 HydrophobicContact CD1-CG2 4.34Å; S163-I204 CarbonylContact O-C 3.53Å; S163-I204 WeakPolarHBondContact O-CA 3.37Å; I164-I204 HydrophobicContact CG1-CG1 4.41Å; L172-I204 HydrophobicContact CD1-CG2 4.1Å; I204-A217 CarbonylContact O-C 3.55Å; I204-A217 WeakPolarHBondContact O-CA 3.44Å; I204-V218 HydrophobicContact CB-CG1 4Å; I204-V218 PolarHBondContact N-O 3.26Å; I204-V218 PolarHBondContact O-N 3.14Å; I204-L220 HydrophobicContact CD1-CB 3.94Å; I204-L220 HydrophobicContact CD1-CD1 4.17Å; I204-L220 HydrophobicContact CD1-CD2 4.07Å; I204-L220 HydrophobicContact CD1-CG 4.28Å; I204-L220 HydrophobicContact CG1-CB 4.18Å; I204-L220 HydrophobicContact CG1-CD2 4.41Å
205	S	93.4	Very high	92.2	Very high	26 Å²	26	62.7 Å²	62.7	18%	0.182	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	142.3	169.7	52.4	0	0	0	0	111.2	Y162 S163 G216	Y162-S205 CarbonylContact C-O 3.59Å; Y162-S205 VanDerWaalsContact CA-O 3.3Å; Y162-S205 WeakPolarHBondContact CA-O 3.45Å; S163-S205 PolarHBondContact N-O 3.12Å; S163-S205 PolarHBondContact O-N 3.44Å; S163-S205 PolarHBondContact OG-OG 2.78Å; S205-G216 CarbonylContact C-O 3.57Å; S205-G216 VanDerWaalsContact CA-O 3.23Å; S205-G216 WeakPolarHBondContact CA-O 3.21Å
206	A	93.7	Very high	92.1	Very high	0 Å²	0	60 Å²	60	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	132.6	171	0	0	0	0	0	108.5	P123 F125 A149 V159 S161 Y162 I215 G216	P123-A206 HydrophobicContact CB-CB 3.83Å; F125-A206 HydrophobicContact CE2-CB 3.91Å; F125-A206 HydrophobicContact CZ-CB 3.73Å; A149-A206 HydrophobicContact CB-CB 3.47Å; A149-A206 VanDerWaalsContact CB-CB 3.47Å; V159-A206 HydrophobicContact CG1-CB 4.03Å; S161-A206 WeakPolarHBondContact O-CA 3.4Å; Y162-A206 HydrophobicContact CD1-CB 3.86Å; Y162-A206 HydrophobicContact CE1-CB 3.76Å; A206-I215 CarbonylContact O-C 3.53Å; A206-I215 WeakPolarHBondContact O-CA 3.48Å; A206-G216 PolarHBondContact N-O 2.72Å; A206-G216 PolarHBondContact O-N 2.87Å
207	E	92.8	Very high	92.1	Very high	72 Å²	72	57.6 Å²	57.6	34%	0.336	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	139	-172.4	-172.7	-171.2	-146.7	0	0	109.2	Q160 S161 P213 I215	Q160-E207 PolarHBondContact N-O 2.9Å; S161-E207 WeakPolarHBondContact CB-OE2 3.43Å; S161-E207 PolarHBondContact N-O 3.34Å; S161-E207 PolarHBondContact O-N 3.3Å; S161-E207 PolarHBondContact OG-OE2 2.81Å; E207-P213 HydrophobicContact CG-CB 4Å; E207-P213 HydrophobicContact CG-CG 4.47Å; E207-I215 HydrophobicContact CG-CG1 4.25Å
208	D	91.4	Very high	92.2	Very high	4 Å²	4	53.4 Å²	53.4	2%	0.021	31%	0.306	C	S	.	.			trans	-84.5	-172	172.6	66.5	48.8	0	0	0	112.7	N119 P123 F157 G210 P213 K214	N119-D208 PolarHBondContact ND2-OD1 2.81Å; N119-D208 PolarHBondContact ND2-OD2 2.98Å; P123-D208 HydrophobicContact CG-CB 4.2Å; F157-D208 WeakPolarHBondContact O-CB 3.42Å; D208-G210 WeakPolarHBondContact OD1-CA 3.44Å; D208-G210 PolarHBondContact OD1-N 2.87Å; D208-P213 WeakPolarHBondContact OD1-CA 3.5Å; D208-P213 WeakPolarHBondContact OD1-CB 3.41Å; D208-K214 VanDerWaalsContact CG-N 3.29Å; D208-K214 PolarHBondContact N-O 2.69Å; D208-K214 PolarHBondContact OD1-N 3.16Å; D208-K214 WeakPolarHBondContact OD2-CA 3.4Å; D208-K214 WeakPolarHBondContact OD2-CB 3.38Å; D208-K214 PolarHBondContact OD2-N 2.68Å
209	G	88	Confident	92.3	Very high	32 Å²	32	55.8 Å²	55.8	33%	0.33	31%	0.313	S	S	.	.	S	Bend	trans	-110.8	29.1	175.8	0	0	0	0	0	114.3	I156 Q160	I156-G209 CarbonylContact O-C 3.48Å; I156-G209 WeakPolarHBondContact O-CA 3.45Å; I156-G209 PolarHBondContact O-N 2.98Å; Q160-G209 VanDerWaalsContact CG-N 3.34Å
210	G	87.3	Confident	92.2	Very high	13 Å²	13	50.7 Å²	50.7	13%	0.134	29%	0.289	C	S	.	.			trans	-72.9	170.7	173.9	0	0	0	0	0	114	D208 P212 P213	D208-G210 WeakPolarHBondContact OD1-CA 3.44Å; D208-G210 PolarHBondContact OD1-N 2.87Å; G210-P212 VanDerWaalsContact C-C 3.43Å; G210-P212 CarbonylContact C-O 3.53Å; G210-P212 CarbonylContact O-C 3.55Å; G210-P213 WeakPolarHBondContact O-CD 3.38Å
211	D	84.9	Confident	92.3	Very high	164 Å²	164	51.4 Å²	51.4	88%	0.877	29%	0.294	S	S	*	.	S	Bend	trans	-133.4	99.2	167.4	-176.3	14.6	0	0	0	109
212	P	87.9	Confident	92.3	Very high	106 Å²	106	47.2 Å²	47.2	69%	0.688	27%	0.269	S	S	*	.	S	Bend	cis	-71.1	152.8	-2.9	32.6	-36.4	0	0	0	112.4	G210	G210-P212 VanDerWaalsContact C-C 3.43Å; G210-P212 CarbonylContact C-O 3.53Å; G210-P212 CarbonylContact O-C 3.55Å
213	P	90.6	Very high	92.3	Very high	54 Å²	54	49.2 Å²	49.2	35%	0.351	28%	0.278	S	S	.	.			trans	-75.2	152.9	173.1	31.9	-35.2	0	0	0	111.5	E207 D208 G210	E207-P213 HydrophobicContact CG-CB 4Å; E207-P213 HydrophobicContact CG-CG 4.47Å; D208-P213 WeakPolarHBondContact OD1-CA 3.5Å; D208-P213 WeakPolarHBondContact OD1-CB 3.41Å; G210-P213 WeakPolarHBondContact O-CD 3.38Å
214	K	91.9	Very high	92.4	Very high	65 Å²	65	44 Å²	44	28%	0.283	25%	0.254	S	S	.	.			trans	-105.5	158.5	169	-52.2	175.6	-166.3	147.2	0	110.7	N119 D120 N121 A122 D208	N119-K214 PolarHBondContact O-NZ 3.38Å; N119-K214 VanDerWaalsContact OD1-CD 3.29Å; N119-K214 WeakPolarHBondContact OD1-CD 3.32Å; N119-K214 WeakPolarHBondContact OD1-CE 3.26Å; N119-K214 PolarHBondContact OD1-NZ 2.95Å; D120-K214 VanDerWaalsContact CA-NZ 3.31Å; D120-K214 PolarHBondContact O-NZ 3.44Å; N121-K214 WeakPolarHBondContact O-CD 3.37Å; N121-K214 PolarHBondContact O-NZ 2.73Å; A122-K214 HydrophobicContact CB-CB 3.81Å; A122-K214 HydrophobicContact CB-CD 3.82Å; D208-K214 VanDerWaalsContact CG-N 3.29Å; D208-K214 PolarHBondContact N-O 2.69Å; D208-K214 PolarHBondContact OD1-N 3.16Å; D208-K214 WeakPolarHBondContact OD2-CA 3.4Å; D208-K214 WeakPolarHBondContact OD2-CB 3.38Å; D208-K214 PolarHBondContact OD2-N 2.68Å
215	I	92.1	Very high	92.4	Very high	108 Å²	108	46.8 Å²	46.8	55%	0.554	27%	0.268	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133.2	128.5	-169.1	-59.1	173.7	0	0	0	109.6	A206 E207	A206-I215 CarbonylContact O-C 3.53Å; A206-I215 WeakPolarHBondContact O-CA 3.48Å; E207-I215 HydrophobicContact CG-CG1 4.25Å
216	G	93	Very high	92.5	Very high	9 Å²	9	47.2 Å²	47.2	9%	0.093	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	147.3	160.7	0	0	0	0	0	110.7	P123 S205 A206	P123-G216 WeakPolarHBondContact O-CA 2.91Å; S205-G216 CarbonylContact C-O 3.57Å; S205-G216 VanDerWaalsContact CA-O 3.23Å; S205-G216 WeakPolarHBondContact CA-O 3.21Å; A206-G216 PolarHBondContact N-O 2.72Å; A206-G216 PolarHBondContact O-N 2.87Å
217	A	93.1	Very high	92.5	Very high	56 Å²	56	48.1 Å²	48.1	46%	0.463	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	150.5	176.9	0	0	0	0	0	111.9	E203 I204	E203-A217 HydrophobicContact CG-CB 4.26Å; E203-A217 WeakPolarHBondContact OE1-CB 3.46Å; I204-A217 CarbonylContact O-C 3.55Å; I204-A217 WeakPolarHBondContact O-CA 3.44Å
218	V	94.6	Very high	92.5	Very high	6 Å²	6	45.8 Å²	45.8	4%	0.036	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	142.8	175.1	68.3	0	0	0	0	110.6	F125 I130 I204	F125-V218 HydrophobicContact CB-CB 3.98Å; F125-V218 HydrophobicContact CB-CG1 4.32Å; F125-V218 HydrophobicContact CB-CG2 4.25Å; F125-V218 HydrophobicContact CD1-CB 4.24Å; F125-V218 HydrophobicContact CD1-CG1 3.63Å; F125-V218 HydrophobicContact CD2-CB 3.59Å; F125-V218 HydrophobicContact CD2-CG1 3.62Å; F125-V218 HydrophobicContact CE1-CG1 3.73Å; F125-V218 HydrophobicContact CE2-CB 4.11Å; F125-V218 HydrophobicContact CE2-CG1 3.71Å; F125-V218 HydrophobicContact CG-CB 3.66Å; F125-V218 HydrophobicContact CG-CG1 3.57Å; F125-V218 HydrophobicContact CG-CG2 4.38Å; F125-V218 HydrophobicContact CZ-CG1 3.77Å; I130-V218 HydrophobicContact CD1-CG1 3.84Å; I130-V218 HydrophobicContact CD1-CG2 4.46Å; I130-V218 HydrophobicContact CG1-CG1 4.32Å; I130-V218 HydrophobicContact CG1-CG2 4.06Å; I204-V218 HydrophobicContact CB-CG1 4Å; I204-V218 PolarHBondContact N-O 3.26Å; I204-V218 PolarHBondContact O-N 3.14Å
219	Q	94.7	Very high	92.6	Very high	95 Å²	95	49.6 Å²	49.6	44%	0.444	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	128.6	175	-177.9	176	-26.1	0	0	110.2	H129 I130 T201 N221	H129-Q219 CarbonylContact C-O 3.55Å; H129-Q219 WeakPolarHBondContact CA-O 3.3Å; H129-Q219 HydrophobicContact CB-CB 4.33Å; I130-Q219 PolarHBondContact N-O 3.17Å; T201-Q219 HydrophobicContact CG2-CG 3.75Å; Q219-N221 PolarHBondContact NE2-OD1 2.6Å
220	L	94.8	Very high	92.9	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	118	170.8	177.2	71.4	0	0	0	108.8	I130 I132 L146 I164 L186 T201 Y202 I204 I222	I130-L220 HydrophobicContact CB-CD1 4.06Å; I130-L220 HydrophobicContact CG2-CD1 3.92Å; I130-L220 CarbonylContact O-C 3.52Å; I130-L220 WeakPolarHBondContact O-CA 3.32Å; I132-L220 HydrophobicContact CD1-CD1 3.73Å; I132-L220 HydrophobicContact CG1-CD1 4Å; L146-L220 HydrophobicContact CD2-CD1 4.36Å; I164-L220 HydrophobicContact CD1-CD2 3.9Å; L186-L220 HydrophobicContact CD1-CD2 3.86Å; L186-L220 HydrophobicContact CD2-CD2 4.13Å; T201-L220 WeakPolarHBondContact CA-O 3.39Å; Y202-L220 HydrophobicContact CD2-CD2 4.46Å; Y202-L220 PolarHBondContact N-O 2.7Å; Y202-L220 PolarHBondContact O-N 2.75Å; I204-L220 HydrophobicContact CD1-CB 3.94Å; I204-L220 HydrophobicContact CD1-CD1 4.17Å; I204-L220 HydrophobicContact CD1-CD2 4.07Å; I204-L220 HydrophobicContact CD1-CG 4.28Å; I204-L220 HydrophobicContact CG1-CB 4.18Å; I204-L220 HydrophobicContact CG1-CD2 4.41Å; L220-I222 HydrophobicContact CD1-CG1 4.5Å; L220-I222 HydrophobicContact CD2-CD1 3.92Å; L220-I222 HydrophobicContact CD2-CG1 4.05Å; L220-I222 HydrophobicContact CG-CD1 4.42Å; L220-I222 HydrophobicContact CG-CG1 3.99Å
221	N	95.1	Very high	93.2	Very high	36 Å²	36	52.4 Å²	52.4	19%	0.193	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	127.3	168.1	-52.8	-53.3	0	0	0	108.9	I130 D131 I132 T201 Q219	I130-N221 PolarHBondContact O-N 3.16Å; D131-N221 WeakPolarHBondContact CA-O 3.28Å; D131-N221 WeakPolarHBondContact OD1-CB 3.11Å; D131-N221 PolarHBondContact OD1-ND2 2.78Å; I132-N221 PolarHBondContact N-O 3.29Å; T201-N221 PolarHBondContact OG1-OD1 3Å; Q219-N221 PolarHBondContact NE2-OD1 2.6Å
222	I	95.3	Very high	93.7	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	124	173.5	-52.9	176.8	0	0	0	107.1	I132 I134 F170 L186 H199 Y200 Y202 L220	I132-I222 WeakPolarHBondContact O-CA 3.39Å; I134-I222 HydrophobicContact CB-CG2 4.34Å; I134-I222 HydrophobicContact CD1-CG2 3.74Å; I134-I222 HydrophobicContact CG1-CG2 4.05Å; F170-I222 HydrophobicContact CD1-CD1 3.83Å; F170-I222 HydrophobicContact CD2-CD1 3.69Å; F170-I222 HydrophobicContact CE1-CD1 3.66Å; F170-I222 HydrophobicContact CE1-CG2 4.48Å; F170-I222 HydrophobicContact CE2-CD1 3.52Å; F170-I222 HydrophobicContact CG-CD1 3.84Å; F170-I222 HydrophobicContact CZ-CD1 3.5Å; F170-I222 VanDerWaalsContact CZ-CD1 3.5Å; F170-I222 HydrophobicContact CZ-CG2 4.04Å; L186-I222 HydrophobicContact CD2-CD1 3.92Å; H199-I222 WeakPolarHBondContact CA-O 3.43Å; Y200-I222 PolarHBondContact N-O 2.71Å; Y200-I222 PolarHBondContact O-N 3.46Å; Y202-I222 HydrophobicContact CD2-CD1 4.08Å; Y202-I222 HydrophobicContact CE2-CD1 4.1Å; L220-I222 HydrophobicContact CD1-CG1 4.5Å; L220-I222 HydrophobicContact CD2-CD1 3.92Å; L220-I222 HydrophobicContact CD2-CG1 4.05Å; L220-I222 HydrophobicContact CG-CD1 4.42Å; L220-I222 HydrophobicContact CG-CG1 3.99Å
223	K	95.3	Very high	94	Very high	75 Å²	75	44 Å²	44	33%	0.326	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	123.6	165.6	174	179.4	164.1	-147.9	0	107.4	I132 E133 I134 I225	I132-K223 PolarHBondContact O-N 3.07Å; E133-K223 WeakPolarHBondContact CA-O 3.33Å; E133-K223 HydrophobicContact CG-CB 4.35Å; E133-K223 HydrophobicContact CG-CD 4.33Å; E133-K223 WeakPolarHBondContact OE1-CD 3.18Å; E133-K223 WeakPolarHBondContact OE1-CE 3.13Å; E133-K223 IonicContact OE1-NZ 3.38Å; E133-K223 PolarHBondContact OE1-NZ 3.18Å; I134-K223 PolarHBondContact N-O 2.75Å; K223-I225 HydrophobicContact CD-CG2 4.48Å; K223-I225 HydrophobicContact CG-CG2 4.39Å
224	V	95.8	Very high	94.3	Very high	2 Å²	2	42.3 Å²	42.3	1%	0.012	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	130.3	166.6	-168.5	0	0	0	0	107.1	I134 E136 R194 S198 Y200	I134-V224 CarbonylContact O-C 3.39Å; I134-V224 WeakPolarHBondContact O-CA 3.49Å; E136-V224 HydrophobicContact CB-CG1 3.91Å; R194-V224 HydrophobicContact CB-CB 4.14Å; R194-V224 HydrophobicContact CB-CG1 3.81Å; R194-V224 HydrophobicContact CG-CB 4.29Å; R194-V224 HydrophobicContact CG-CG1 4.41Å; S198-V224 PolarHBondContact O-N 2.98Å; Y200-V224 HydrophobicContact CD2-CG2 4.17Å; Y200-V224 HydrophobicContact CE2-CG2 3.74Å
225	I	95.1	Very high	94.4	Very high	59 Å²	59	44.4 Å²	44.4	30%	0.303	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	131.5	173.8	60.8	173.1	0	0	0	110.2	E133 I134 S135 K223	E133-I225 HydrophobicContact CB-CG2 3.76Å; E133-I225 HydrophobicContact CG-CG2 4.01Å; I134-I225 PolarHBondContact O-N 2.96Å; S135-I225 WeakPolarHBondContact CA-O 3.33Å; K223-I225 HydrophobicContact CD-CG2 4.48Å; K223-I225 HydrophobicContact CG-CG2 4.39Å
226	D	94.8	Very high	94.4	Very high	36 Å²	36	44.8 Å²	44.8	19%	0.193	24%	0.243	C	C	.	.	P	Polyproline II helix	trans	-58	146.7	-173.8	-172.3	89.9	0	0	0	114.4	E136 R194 E263 N266	E136-D226 VanDerWaalsContact OE1-C 3.26Å; E136-D226 WeakPolarHBondContact OE1-CA 3.18Å; R194-D226 IonicContact CZ-OD1 3.75Å; R194-D226 VanDerWaalsContact CZ-OD1 3.31Å; R194-D226 IonicContact NE-OD1 2.82Å; R194-D226 PolarHBondContact NE-OD1 2.91Å; R194-D226 IonicContact NH2-OD1 3.13Å; D226-E263 HydrophobicContact CB-CB 3.7Å; D226-E263 VanDerWaalsContact CG-CB 3.44Å; D226-E263 VanDerWaalsContact CG-N 3.27Å; D226-E263 VanDerWaalsContact OD1-CB 3.28Å; D226-E263 WeakPolarHBondContact OD1-CB 3.35Å; D226-E263 PolarHBondContact OD1-N 3.03Å; D226-E263 PolarHBondContact OD2-N 3.07Å; D226-N266 WeakPolarHBondContact OD2-CB 3.02Å; D226-N266 PolarHBondContact OD2-ND2 2.94Å
227	S	93.6	Very high	94.5	Very high	18 Å²	18	48.7 Å²	48.7	13%	0.126	27%	0.266	C	S	.	.			trans	-146.5	131.5	-179.8	-39.5	0	0	0	0	108.7	S135 E136 N137 D229	S135-S227 PolarHBondContact OG-OG 2.63Å; E136-S227 WeakPolarHBondContact OE1-CB 3.31Å; E136-S227 PolarHBondContact OE1-N 2.93Å; E136-S227 PolarHBondContact OE1-OG 3.1Å; N137-S227 WeakPolarHBondContact ND2-CB 3.18Å; N137-S227 PolarHBondContact ND2-OG 3.35Å; S227-D229 VanDerWaalsContact C-N 3.3Å; S227-D229 PolarHBondContact O-N 3.36Å
228	N	94.3	Very high	94.6	Very high	24 Å²	24	49.7 Å²	49.7	13%	0.128	27%	0.266	C	S	.	.	S	Bend	trans	-67.7	78.4	-177.4	-155.3	102.9	0	0	0	112.9	D262 N266 D316 G318 P319	N228-D262 WeakPolarHBondContact CA-OD2 3.23Å; N228-N266 HydrophobicContact CB-CB 4.12Å; N228-N266 PolarHBondContact N-ND2 2.68Å; N228-N266 WeakPolarHBondContact OD1-CA 3.46Å; N228-N266 WeakPolarHBondContact OD1-CB 3.28Å; N228-D316 PolarHBondContact OD1-OD1 2.88Å; N228-D316 VanDerWaalsContact OD1-OD1 3.07Å; N228-G318 WeakPolarHBondContact OD1-CA 3.36Å; N228-P319 HydrophobicContact CB-CG 4.38Å
229	D	92.5	Very high	94.7	Very high	84 Å²	84	51.1 Å²	51.1	45%	0.449	27%	0.271	S	S	.	.			trans	-114.5	-21	-178.8	96.4	-28	0	0	0	113.3	S227 D262	S227-D229 VanDerWaalsContact C-N 3.3Å; S227-D229 PolarHBondContact O-N 3.36Å; D229-D262 PolarHBondContact N-OD2 2.82Å
230	N	93.4	Very high	94.8	Very high	56 Å²	56	51.1 Å²	51.1	30%	0.299	28%	0.278	S	S	.	.	S	Bend	trans	-79.6	172.4	157.6	-59.7	-78.9	0	0	0	110.3	P261 D262	N230-P261 HydrophobicContact CB-CG 3.65Å; N230-P261 VanDerWaalsContact CG-CG 3.49Å; N230-D262 VanDerWaalsContact CB-OD1 3.31Å; N230-D262 WeakPolarHBondContact CB-OD1 3.19Å; N230-D262 PolarHBondContact N-OD2 2.52Å; N230-D262 PolarHBondContact ND2-OD1 2.77Å
231	N	93.8	Very high	94.9	Very high	47 Å²	47	52.4 Å²	52.4	25%	0.251	29%	0.286	S	S	.	.			trans	-148.7	156	176.7	-61.2	-100.7	0	0	0	107.7	D260 I322	N231-D260 VanDerWaalsContact CA-OD2 3.23Å; N231-D260 WeakPolarHBondContact CA-OD2 3.36Å; N231-I322 WeakPolarHBondContact OD1-CA 3.21Å; N231-I322 WeakPolarHBondContact OD1-CB 3.44Å; N231-I322 PolarHBondContact OD1-N 3.4Å; N231-I322 PolarHBondContact OD1-O 2.96Å
232	P	96.1	Very high	95	Very high	2 Å²	2	55.4 Å²	55.4	1%	0.013	30%	0.302	C	S	.	.			trans	-63.5	139.8	-170.5	-24.9	34.2	0	0	0	112.8	A258 D260 V269 A314 D316 A324	P232-A258 HydrophobicContact CB-CB 4.34Å; P232-D260 HydrophobicContact CB-CB 4.42Å; P232-D260 WeakPolarHBondContact CD-OD2 3.11Å; P232-D260 HydrophobicContact CG-CB 4.27Å; P232-V269 HydrophobicContact CB-CG1 3.96Å; P232-V269 HydrophobicContact CB-CG2 3.94Å; P232-V269 HydrophobicContact CG-CG1 4.1Å; P232-V269 HydrophobicContact CG-CG2 3.93Å; P232-A314 HydrophobicContact CB-CB 4.12Å; P232-D316 HydrophobicContact CG-CB 4.14Å; P232-A324 WeakPolarHBondContact O-CB 3.28Å
233	V	95.1	Very high	95	Very high	91 Å²	91	55.9 Å²	55.9	55%	0.552	30%	0.304	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.9	125.6	179.3	-176.7	0	0	0	0	110.9	A258 T259	V233-A258 CarbonylContact O-C 3.6Å; V233-A258 VanDerWaalsContact O-CA 3.22Å; V233-A258 WeakPolarHBondContact O-CA 3.41Å; V233-T259 PolarHBondContact N-O 3.13Å; V233-T259 PolarHBondContact O-N 2.86Å
234	F	96.1	Very high	95	Very high	19 Å²	19	57.1 Å²	57.1	8%	0.083	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	144.9	171	-69.8	-79.7	0	0	0	111.5	E236 L256 A258 Y271 V312 A314 A324 C326	F234-E236 VanDerWaalsContact C-N 3.33Å; F234-E236 PolarHBondContact O-N 3.47Å; F234-L256 HydrophobicContact CE1-CB 4.47Å; F234-A258 HydrophobicContact CD1-CB 3.76Å; F234-A258 HydrophobicContact CE1-CB 3.88Å; F234-A258 HydrophobicContact CG-CB 4.12Å; F234-A258 HydrophobicContact CZ-CB 4.33Å; F234-Y271 HydrophobicContact CE1-CD1 4.25Å; F234-Y271 HydrophobicContact CE1-CE1 4.03Å; F234-Y271 HydrophobicContact CZ-CD1 4.5Å; F234-V312 HydrophobicContact CZ-CG1 4.14Å; F234-A314 HydrophobicContact CE1-CB 4.11Å; F234-A314 HydrophobicContact CE2-CB 3.61Å; F234-A314 HydrophobicContact CZ-CB 3.38Å; F234-A324 HydrophobicContact CD2-CB 4.38Å; F234-A324 HydrophobicContact CE2-CB 4.44Å; F234-C326 HydrophobicContact CB-CB 4.13Å; F234-C326 HydrophobicContact CD1-CB 4.18Å; F234-C326 HydrophobicContact CD2-CB 3.68Å; F234-C326 VanDerWaalsContact CE1-SG 3.5Å; F234-C326 HydrophobicContact CE2-CB 4.03Å; F234-C326 HydrophobicContact CG-CB 3.75Å; F234-C326 HydrophobicContact CZ-CB 4.42Å; F234-C326 VanDerWaalsContact CZ-SG 3.6Å
235	D	93.2	Very high	94.9	Very high	110 Å²	110	57.1 Å²	57.1	59%	0.588	31%	0.313	S	S	*	.	S	Bend	trans	-57.6	-40.1	179	-67.7	-53.7	0	0	0	113.4	Y239 N257	D235-Y239 PolarHBondContact N-OH 3.34Å; D235-N257 PolarHBondContact OD2-ND2 2.65Å
236	E	93.7	Very high	94.7	Very high	116 Å²	116	58.5 Å²	58.5	54%	0.542	32%	0.32	S	S	.	.			trans	-132.5	147.9	175.5	-70.8	-77.3	-178.5	0	0	111	F234 Y239	F234-E236 VanDerWaalsContact C-N 3.33Å; F234-E236 PolarHBondContact O-N 3.47Å; E236-Y239 HydrophobicContact CB-CD1 4.4Å; E236-Y239 HydrophobicContact CB-CE1 3.86Å; E236-Y239 HydrophobicContact CB-CE2 4.43Å; E236-Y239 HydrophobicContact CG-CE1 4.48Å; E236-Y239 PolarHBondContact N-OH 2.86Å; E236-Y239 WeakPolarHBondContact O-CE2 3.05Å; E236-Y239 PolarHBondContact O-OH 3.27Å
237	P	93.6	Very high	94.7	Very high	90 Å²	90	57.7 Å²	57.7	58%	0.584	32%	0.318	S	S	*	.	S	Bend	trans	-77	-23.1	178.4	31.4	-35.1	0	0	0	113.2	C326 K327	P237-C326 WeakPolarHBondContact O-CA 3.28Å; P237-K327 PolarHBondContact O-N 2.77Å
238	V	95.9	Very high	94.8	Very high	78 Å²	78	61.4 Å²	61.4	47%	0.473	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	123.8	-179.1	-173.9	0	0	0	0	110.5	K327	V238-K327 CarbonylContact C-O 3.48Å; V238-K327 VanDerWaalsContact CA-O 3.29Å; V238-K327 WeakPolarHBondContact CA-O 3.46Å; V238-K327 HydrophobicContact CG1-CB 4.46Å; V238-K327 HydrophobicContact CG2-CB 4.37Å
239	Y	96.5	Very high	94.8	Very high	36 Å²	36	63.3 Å²	63.3	14%	0.141	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	141.2	174	-57.1	-89.8	0	0	0	109.8	D235 E236 I254 L256 C326 K327 V328 T329	D235-Y239 PolarHBondContact N-OH 3.34Å; E236-Y239 HydrophobicContact CB-CD1 4.4Å; E236-Y239 HydrophobicContact CB-CE1 3.86Å; E236-Y239 HydrophobicContact CB-CE2 4.43Å; E236-Y239 HydrophobicContact CG-CE1 4.48Å; E236-Y239 PolarHBondContact N-OH 2.86Å; E236-Y239 WeakPolarHBondContact O-CE2 3.05Å; E236-Y239 PolarHBondContact O-OH 3.27Å; Y239-I254 HydrophobicContact CD1-CD1 3.61Å; Y239-I254 HydrophobicContact CE1-CD1 4.41Å; Y239-I254 HydrophobicContact CG-CD1 3.68Å; Y239-L256 HydrophobicContact CD2-CD2 3.76Å; Y239-L256 HydrophobicContact CE1-CD2 4.44Å; Y239-L256 HydrophobicContact CE2-CD2 3.69Å; Y239-L256 HydrophobicContact CG-CD2 4.19Å; Y239-C326 HydrophobicContact CD2-CB 4.34Å; Y239-C326 HydrophobicContact CE2-CB 3.91Å; Y239-K327 PolarHBondContact N-O 2.85Å; Y239-V328 HydrophobicContact CD2-CG2 4.18Å; Y239-T329 PolarHBondContact O-N 3.14Å
240	T	96.9	Very high	94.9	Very high	94 Å²	94	64.3 Å²	64.3	58%	0.577	36%	0.359	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.2	125.9	173.6	-60.1	0	0	0	0	110.1	T329 N331	T240-T329 WeakPolarHBondContact CA-O 3.28Å; T240-N331 VanDerWaalsContact CG2-ND2 3.25Å; T240-N331 WeakPolarHBondContact CG2-ND2 3.45Å
241	V	96.9	Very high	95	Very high	27 Å²	27	63.5 Å²	63.5	16%	0.164	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	143.3	-172.9	-174.5	0	0	0	0	109.6	V243 V253 I254 V328 T329 V330 N331	V241-V243 HydrophobicContact CG1-CG2 4.05Å; V241-V253 HydrophobicContact CB-CG1 4.3Å; V241-V253 HydrophobicContact CG1-CG1 3.93Å; V241-V253 WeakPolarHBondContact CG1-O 3.22Å; V241-I254 HydrophobicContact CG2-CB 4.18Å; V241-I254 HydrophobicContact CG2-CD1 4.06Å; V241-V328 HydrophobicContact CG2-CG1 4.33Å; V241-T329 PolarHBondContact N-O 2.97Å; V241-V330 CarbonylContact O-C 3.44Å; V241-V330 WeakPolarHBondContact O-CA 3.5Å; V241-N331 PolarHBondContact O-N 2.81Å
242	N	97.1	Very high	95.2	Very high	100 Å²	100	66.3 Å²	66.3	54%	0.535	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	123.9	176.5	-67	5.4	0	0	0	109.8	N331 M333	N242-N331 WeakPolarHBondContact CA-O 3.18Å; N242-N331 PolarHBondContact OD1-ND2 2.69Å; N242-M333 HydrophobicContact CB-CG 3.78Å; N242-M333 HydrophobicContact CB-SD 3.98Å
243	V	96.4	Very high	95.2	Very high	9 Å²	9	66.9 Å²	66.9	6%	0.055	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	134.6	-177.5	-179	0	0	0	0	109.1	V241 V253 V296 L300 V330 N331 V332 M333	V241-V243 HydrophobicContact CG1-CG2 4.05Å; V243-V253 HydrophobicContact CG2-CB 4.49Å; V243-V253 HydrophobicContact CG2-CG1 4.02Å; V243-V253 HydrophobicContact CG2-CG2 4.23Å; V243-V296 HydrophobicContact CG1-CG2 4.06Å; V243-L300 HydrophobicContact CG1-CD1 3.95Å; V243-V330 HydrophobicContact CB-CG1 4.05Å; V243-V330 HydrophobicContact CG2-CG1 3.67Å; V243-N331 PolarHBondContact N-O 3.39Å; V243-V332 CarbonylContact O-C 3.58Å; V243-V332 WeakPolarHBondContact O-CA 3.12Å; V243-M333 PolarHBondContact O-N 2.85Å
244	M	94.6	Very high	95.3	Very high	101 Å²	101	63.8 Å²	63.8	50%	0.498	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	142.7	176	-60.2	-64.7	179.5	0	0	110	N246 S247 M333 T335	M244-N246 PolarHBondContact O-N 3.35Å; M244-S247 WeakPolarHBondContact O-CB 3.46Å; M244-S247 PolarHBondContact O-N 3.43Å; M244-S247 VanDerWaalsContact O-N 3.11Å; M244-S247 PolarHBondContact O-OG 2.87Å; M244-M333 HydrophobicContact SD-CB 3.58Å; M244-M333 VanDerWaalsContact SD-CB 3.58Å; M244-T335 HydrophobicContact CB-CG2 4.03Å; M244-T335 HydrophobicContact CG-CG2 4.35Å; M244-T335 HydrophobicContact SD-CG2 3.84Å
245	E	94.1	Very high	95.3	Very high	3 Å²	3	68 Å²	68	1%	0.014	38%	0.378	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-44.5	-177.6	73.7	-157.6	116.1	0	0	112.8	S247 L300 Y302 V332 M333 T335	E245-S247 PolarHBondContact O-N 2.91Å; E245-L300 CarbonylContact C-O 3.56Å; E245-L300 HydrophobicContact CB-CB 4.42Å; E245-L300 WeakPolarHBondContact O-CB 3.08Å; E245-L300 PolarHBondContact O-N 3.21Å; E245-Y302 WeakPolarHBondContact OE2-CB 3.03Å; E245-Y302 PolarHBondContact OE2-N 2.95Å; E245-V332 HydrophobicContact CB-CG1 3.5Å; E245-M333 PolarHBondContact N-O 3.11Å; E245-T335 VanDerWaalsContact CG-OG1 3.31Å; E245-T335 WeakPolarHBondContact CG-OG1 3.43Å; E245-T335 PolarHBondContact OE1-N 3.32Å; E245-T335 PolarHBondContact OE1-OG1 3.02Å
246	N	91	Very high	95.4	Very high	87 Å²	87	63 Å²	63	47%	0.465	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.7	21.2	176.4	-81.7	-70	0	0	0	113	M244 T335 D337	M244-N246 PolarHBondContact O-N 3.35Å; N246-T335 PolarHBondContact ND2-OG1 3.39Å; N246-D337 PolarHBondContact ND2-OD2 2.73Å
247	S	93.9	Very high	95.4	Very high	20 Å²	20	60.9 Å²	60.9	14%	0.14	34%	0.343	C	S	.	.	P	Polyproline II helix	trans	-65	129.1	171.6	-89.6	0	0	0	0	111	M244 E245	M244-S247 WeakPolarHBondContact O-CB 3.46Å; M244-S247 PolarHBondContact O-N 3.43Å; M244-S247 VanDerWaalsContact O-N 3.11Å; M244-S247 PolarHBondContact O-OG 2.87Å; E245-S247 PolarHBondContact O-N 2.91Å
248	P	95.1	Very high	95.5	Very high	95 Å²	95	56.9 Å²	56.9	62%	0.617	32%	0.318	S	S	*	.	P	Polyproline II helix	trans	-67.1	151.8	-179.3	27	-34.4	0	0	0	112.1	N250 T251	P248-N250 PolarHBondContact O-N 2.87Å; P248-T251 WeakPolarHBondContact CD-OG1 3.5Å; P248-T251 VanDerWaalsContact O-CB 3.26Å; P248-T251 WeakPolarHBondContact O-CB 3.13Å; P248-T251 PolarHBondContact O-N 2.91Å; P248-T251 PolarHBondContact O-OG1 3.33Å
249	V	94.6	Very high	95.4	Very high	65 Å²	65	56.8 Å²	56.8	39%	0.394	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	138.4	175.6	-179.9	0	0	0	0	110.7	N297	V249-N297 WeakPolarHBondContact CG1-O 3.43Å
250	N	95	Very high	95.4	Very high	105 Å²	105	56.1 Å²	56.1	56%	0.561	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	73	14	-167.5	-38	-78.8	0	0	0	115.7	P248 L252 K286 V296	P248-N250 PolarHBondContact O-N 2.87Å; N250-L252 PolarHBondContact O-N 3.3Å; N250-K286 PolarHBondContact OD1-NZ 3.27Å; N250-V296 WeakPolarHBondContact CA-O 3.35Å; N250-V296 PolarHBondContact N-O 3.48Å
251	T	96.1	Very high	95.3	Very high	39 Å²	39	54.9 Å²	54.9	24%	0.239	31%	0.31	C	S	.	.			trans	-60.6	131.2	164.8	-65.5	0	0	0	0	109.9	P248 V253 T295 V296	P248-T251 WeakPolarHBondContact CD-OG1 3.5Å; P248-T251 VanDerWaalsContact O-CB 3.26Å; P248-T251 WeakPolarHBondContact O-CB 3.13Å; P248-T251 PolarHBondContact O-N 2.91Å; P248-T251 PolarHBondContact O-OG1 3.33Å; T251-V253 PolarHBondContact O-N 2.95Å; T251-T295 CarbonylContact O-C 3.5Å; T251-T295 VanDerWaalsContact O-CA 3.24Å; T251-T295 WeakPolarHBondContact O-CA 3.21Å; T251-T295 WeakPolarHBondContact O-CB 3.43Å; T251-V296 HydrophobicContact CG2-CG2 4.46Å; T251-V296 PolarHBondContact O-N 2.84Å
252	L	96.4	Very high	95.2	Very high	105 Å²	105	54.1 Å²	54.1	55%	0.55	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	127	173.3	176.4	63.3	0	0	0	110.2	N250 I293	N250-L252 PolarHBondContact O-N 3.3Å; L252-I293 HydrophobicContact CD1-CG2 3.64Å
253	V	97	Very high	95.1	Very high	14 Å²	14	54.2 Å²	54.2	9%	0.085	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	-61.1	172.4	-179.2	0	0	0	0	109	V241 V243 T251 F285 I294 V296 V330	V241-V253 HydrophobicContact CB-CG1 4.3Å; V241-V253 HydrophobicContact CG1-CG1 3.93Å; V241-V253 WeakPolarHBondContact CG1-O 3.22Å; V243-V253 HydrophobicContact CG2-CB 4.49Å; V243-V253 HydrophobicContact CG2-CG1 4.02Å; V243-V253 HydrophobicContact CG2-CG2 4.23Å; T251-V253 PolarHBondContact O-N 2.95Å; V253-F285 HydrophobicContact CG2-CD1 3.84Å; V253-F285 HydrophobicContact CG2-CE1 3.78Å; V253-I294 HydrophobicContact CB-CB 4.32Å; V253-I294 HydrophobicContact CB-CG2 4.04Å; V253-I294 WeakPolarHBondContact CB-O 3.35Å; V253-I294 HydrophobicContact CG1-CG2 4.46Å; V253-I294 HydrophobicContact CG2-CG2 4.26Å; V253-I294 PolarHBondContact N-O 3.09Å; V253-V296 HydrophobicContact CG2-CG2 3.82Å; V253-V330 HydrophobicContact CG1-CG1 4.32Å; V253-V330 HydrophobicContact CG1-CG2 3.77Å
254	I	96.8	Very high	94.9	Very high	26 Å²	26	56.6 Å²	56.6	13%	0.133	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	149.3	179.3	-174.1	159.3	0	0	0	110.2	Y239 V241 L256 I294 V328	Y239-I254 HydrophobicContact CD1-CD1 3.61Å; Y239-I254 HydrophobicContact CE1-CD1 4.41Å; Y239-I254 HydrophobicContact CG-CD1 3.68Å; V241-I254 HydrophobicContact CG2-CB 4.18Å; V241-I254 HydrophobicContact CG2-CD1 4.06Å; I254-L256 HydrophobicContact CD1-CD2 3.76Å; I254-L256 HydrophobicContact CG1-CD2 3.93Å; I254-L256 HydrophobicContact CG1-CG 4.36Å; I254-L256 HydrophobicContact CG2-CD2 4.14Å; I254-L256 HydrophobicContact CG2-CG 4.03Å; I254-I294 HydrophobicContact CG2-CB 3.92Å; I254-I294 HydrophobicContact CG2-CD1 3.94Å; I254-I294 HydrophobicContact CG2-CG1 4.1Å; I254-I294 PolarHBondContact N-O 2.98Å; I254-I294 PolarHBondContact O-N 3.19Å; I254-V328 HydrophobicContact CG2-CG1 4.04Å; I254-V328 HydrophobicContact CG2-CG2 4.42Å
255	D	95.9	Very high	94.8	Very high	109 Å²	109	55.6 Å²	55.6	58%	0.583	33%	0.328	S	S	*	.			trans	-101.5	107.6	169.9	-162.3	2.3	0	0	0	105.9	I293	D255-I293 HydrophobicContact CB-CG1 4.34Å; D255-I293 WeakPolarHBondContact OD1-CG1 3.31Å
256	L	95.7	Very high	94.8	Very high	4 Å²	4	56.2 Å²	56.2	2%	0.021	33%	0.332	C	S	.	.			trans	-95.4	132.1	-176.7	-67.7	174.6	0	0	0	110.6	F234 Y239 I254 I287 G292 I294 V312 V328	F234-L256 HydrophobicContact CE1-CB 4.47Å; Y239-L256 HydrophobicContact CD2-CD2 3.76Å; Y239-L256 HydrophobicContact CE1-CD2 4.44Å; Y239-L256 HydrophobicContact CE2-CD2 3.69Å; Y239-L256 HydrophobicContact CG-CD2 4.19Å; I254-L256 HydrophobicContact CD1-CD2 3.76Å; I254-L256 HydrophobicContact CG1-CD2 3.93Å; I254-L256 HydrophobicContact CG1-CG 4.36Å; I254-L256 HydrophobicContact CG2-CD2 4.14Å; I254-L256 HydrophobicContact CG2-CG 4.03Å; L256-I287 HydrophobicContact CD1-CD1 4.32Å; L256-G292 WeakPolarHBondContact CB-O 3.48Å; L256-G292 PolarHBondContact N-O 3.32Å; L256-I294 HydrophobicContact CD1-CD1 3.71Å; L256-I294 HydrophobicContact CD1-CG1 4.16Å; L256-V312 HydrophobicContact CD1-CB 4.26Å; L256-V312 HydrophobicContact CD1-CG1 3.9Å; L256-V312 HydrophobicContact CD1-CG2 3.91Å; L256-V328 HydrophobicContact CD1-CG2 4.06Å; L256-V328 HydrophobicContact CD2-CG2 4.09Å
257	N	93.8	Very high	94.9	Very high	72 Å²	72	53 Å²	53	39%	0.385	32%	0.319	S	S	.	.			trans	-115.4	125.1	175.5	178.3	59.6	0	0	0	109.2	D235	D235-N257 PolarHBondContact OD2-ND2 2.65Å
258	A	95.3	Very high	94.9	Very high	5 Å²	5	56.8 Å²	56.8	4%	0.041	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	126.6	164.3	0	0	0	0	0	108	P232 V233 F234 V269 Y271 A314	P232-A258 HydrophobicContact CB-CB 4.34Å; V233-A258 CarbonylContact O-C 3.6Å; V233-A258 VanDerWaalsContact O-CA 3.22Å; V233-A258 WeakPolarHBondContact O-CA 3.41Å; F234-A258 HydrophobicContact CD1-CB 3.76Å; F234-A258 HydrophobicContact CE1-CB 3.88Å; F234-A258 HydrophobicContact CG-CB 4.12Å; F234-A258 HydrophobicContact CZ-CB 4.33Å; A258-V269 HydrophobicContact CB-CG1 4.21Å; A258-Y271 HydrophobicContact CB-CE1 3.83Å; A258-Y271 PolarHBondContact N-OH 3.43Å; A258-Y271 PolarHBondContact O-OH 3.48Å; A258-A314 HydrophobicContact CB-CB 3.65Å
259	T	94.6	Very high	95	Very high	77 Å²	77	53.2 Å²	53.2	47%	0.472	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	135.4	-177.9	57.3	0	0	0	0	110.6	V233	V233-T259 PolarHBondContact N-O 3.13Å; V233-T259 PolarHBondContact O-N 2.86Å
260	D	96.2	Very high	95	Very high	22 Å²	22	52.5 Å²	52.5	12%	0.118	31%	0.307	C	S	.	.			trans	-125.9	132.8	168.3	-163.6	-60.7	0	0	0	107.8	N231 P232 D262 V269	N231-D260 VanDerWaalsContact CA-OD2 3.23Å; N231-D260 WeakPolarHBondContact CA-OD2 3.36Å; P232-D260 HydrophobicContact CB-CB 4.42Å; P232-D260 WeakPolarHBondContact CD-OD2 3.11Å; P232-D260 HydrophobicContact CG-CB 4.27Å; D260-D262 WeakPolarHBondContact OD1-CB 3.46Å; D260-D262 PolarHBondContact OD1-N 2.88Å; D260-D262 VanDerWaalsContact OD1-N 3.07Å; D260-V269 HydrophobicContact CB-CG2 3.7Å
261	P	95	Very high	95.1	Very high	68 Å²	68	48.3 Å²	48.3	44%	0.442	28%	0.283	S	S	.	.			trans	-85.5	-12.8	-176	36.2	-37.6	0	0	0	114.5	R194 E195 N230	R194-P261 PolarHBondContact NH2-O 2.88Å; E195-P261 HydrophobicContact CG-CB 3.9Å; E195-P261 HydrophobicContact CG-CG 4.06Å; N230-P261 HydrophobicContact CB-CG 3.65Å; N230-P261 VanDerWaalsContact CG-CG 3.49Å
262	D	95.4	Very high	95.2	Very high	10 Å²	10	48.4 Å²	48.4	5%	0.053	29%	0.286	C	S	.	.	S	Bend	trans	-71.1	166.5	-170.1	-65.7	0.9	0	0	0	112.5	N228 D229 N230 D260 N266 G267	N228-D262 WeakPolarHBondContact CA-OD2 3.23Å; D229-D262 PolarHBondContact N-OD2 2.82Å; N230-D262 VanDerWaalsContact CB-OD1 3.31Å; N230-D262 WeakPolarHBondContact CB-OD1 3.19Å; N230-D262 PolarHBondContact N-OD2 2.52Å; N230-D262 PolarHBondContact ND2-OD1 2.77Å; D260-D262 WeakPolarHBondContact OD1-CB 3.46Å; D260-D262 PolarHBondContact OD1-N 2.88Å; D260-D262 VanDerWaalsContact OD1-N 3.07Å; D262-N266 HydrophobicContact CB-CB 3.58Å; D262-G267 VanDerWaalsContact O-CA 3.28Å; D262-G267 WeakPolarHBondContact O-CA 3.36Å; D262-G267 PolarHBondContact O-N 3.33Å
263	E	93.3	Very high	95.2	Very high	102 Å²	102	44.8 Å²	44.8	48%	0.477	27%	0.265	S	S	.	.	S	Bend	trans	-87.6	137.6	-171.3	-149	169.2	127.5	0	0	114.1	R194 D226 T265 N266	R194-E263 IonicContact CZ-OE2 3.23Å; R194-E263 IonicContact NH1-OE2 2.69Å; R194-E263 PolarHBondContact NH1-OE2 2.83Å; D226-E263 HydrophobicContact CB-CB 3.7Å; D226-E263 VanDerWaalsContact CG-CB 3.44Å; D226-E263 VanDerWaalsContact CG-N 3.27Å; D226-E263 VanDerWaalsContact OD1-CB 3.28Å; D226-E263 WeakPolarHBondContact OD1-CB 3.35Å; D226-E263 PolarHBondContact OD1-N 3.03Å; D226-E263 PolarHBondContact OD2-N 3.07Å; E263-T265 PolarHBondContact O-N 3.06Å; E263-T265 VanDerWaalsContact O-N 3.14Å; E263-N266 PolarHBondContact O-N 3.01Å; E263-N266 VanDerWaalsContact O-N 3.17Å
264	G	92.6	Very high	95.1	Very high	60 Å²	60	44.9 Å²	44.9	62%	0.619	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.5	-115.4	169.6	0	0	0	0	0	112.4	N266 E268	G264-N266 VanDerWaalsContact C-N 3.33Å; G264-E268 WeakPolarHBondContact O-CB 3.34Å; G264-E268 PolarHBondContact O-N 2.79Å
265	T	93.6	Very high	94.7	Very high	79 Å²	79	47.4 Å²	47.4	49%	0.485	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-22.5	-179.5	48.2	0	0	0	0	113.6	E263 E268 L317 G318	E263-T265 PolarHBondContact O-N 3.06Å; E263-T265 VanDerWaalsContact O-N 3.14Å; T265-E268 PolarHBondContact O-N 2.9Å; T265-L317 CarbonylContact O-C 3.51Å; T265-L317 WeakPolarHBondContact O-CA 3.5Å; T265-L317 WeakPolarHBondContact O-CB 3.32Å; T265-L317 PolarHBondContact O-N 3.34Å; T265-G318 PolarHBondContact O-N 3.44Å
266	N	93.2	Very high	94.3	Very high	16 Å²	16	51 Å²	51	9%	0.086	29%	0.293	C	S	.	.	S	Bend	trans	-74.9	-36.5	179.7	-62.9	-3.4	0	0	0	109.7	D226 N228 D262 E263 G264 D316 G318	D226-N266 WeakPolarHBondContact OD2-CB 3.02Å; D226-N266 PolarHBondContact OD2-ND2 2.94Å; N228-N266 HydrophobicContact CB-CB 4.12Å; N228-N266 PolarHBondContact N-ND2 2.68Å; N228-N266 WeakPolarHBondContact OD1-CA 3.46Å; N228-N266 WeakPolarHBondContact OD1-CB 3.28Å; D262-N266 HydrophobicContact CB-CB 3.58Å; E263-N266 PolarHBondContact O-N 3.01Å; E263-N266 VanDerWaalsContact O-N 3.17Å; G264-N266 VanDerWaalsContact C-N 3.33Å; N266-D316 WeakPolarHBondContact O-CB 3.04Å; N266-G318 WeakPolarHBondContact OD1-CA 3.38Å
267	G	92.9	Very high	94.2	Very high	20 Å²	20	51.2 Å²	51.2	21%	0.206	29%	0.294	C	S	.	.	S	Bend	trans	-83.1	-2	167.7	0	0	0	0	0	116.3	D262 V269	D262-G267 VanDerWaalsContact O-CA 3.28Å; D262-G267 WeakPolarHBondContact O-CA 3.36Å; D262-G267 PolarHBondContact O-N 3.33Å; G267-V269 PolarHBondContact O-N 3.49Å; G267-V269 VanDerWaalsContact O-N 3.1Å
268	E	95	Very high	94.1	Very high	99 Å²	99	51.9 Å²	51.9	46%	0.463	30%	0.3	S	S	.	.			trans	-84.2	87.9	-175.7	-169	173.5	179.5	0	0	111.7	G264 T265 D316 L317	G264-E268 WeakPolarHBondContact O-CB 3.34Å; G264-E268 PolarHBondContact O-N 2.79Å; T265-E268 PolarHBondContact O-N 2.9Å; E268-D316 WeakPolarHBondContact O-CA 3.36Å; E268-L317 HydrophobicContact CB-CD1 4.19Å; E268-L317 HydrophobicContact CG-CD1 3.99Å; E268-L317 PolarHBondContact O-N 3.42Å
269	V	95.8	Very high	93.9	Very high	21 Å²	21	59.1 Å²	59.1	13%	0.127	33%	0.333	C	S	.	.			trans	-71.5	128	-177.8	-170.4	0	0	0	0	113.1	P232 A258 D260 G267 Y271 A314	P232-V269 HydrophobicContact CB-CG1 3.96Å; P232-V269 HydrophobicContact CB-CG2 3.94Å; P232-V269 HydrophobicContact CG-CG1 4.1Å; P232-V269 HydrophobicContact CG-CG2 3.93Å; A258-V269 HydrophobicContact CB-CG1 4.21Å; D260-V269 HydrophobicContact CB-CG2 3.7Å; G267-V269 PolarHBondContact O-N 3.49Å; G267-V269 VanDerWaalsContact O-N 3.1Å; V269-Y271 HydrophobicContact CB-CE2 4.47Å; V269-Y271 HydrophobicContact CG1-CE1 4.42Å; V269-Y271 HydrophobicContact CG1-CE2 4.1Å; V269-A314 HydrophobicContact CG1-CB 3.75Å
270	V	96.1	Very high	93.7	Very high	49 Å²	49	59.4 Å²	59.4	30%	0.297	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	135.1	171.9	177.5	0	0	0	0	110.9	P289 K315 L317	V270-P289 CarbonylContact C-O 3.58Å; V270-P289 WeakPolarHBondContact CA-O 3.4Å; V270-P289 HydrophobicContact CG1-CB 4.16Å; V270-P289 WeakPolarHBondContact CG1-O 3.32Å; V270-K315 WeakPolarHBondContact CA-O 3.46Å; V270-K315 PolarHBondContact N-O 2.84Å; V270-K315 PolarHBondContact O-N 2.9Å; V270-L317 HydrophobicContact CG2-CD1 4.2Å; V270-L317 HydrophobicContact CG2-CD2 3.83Å; V270-L317 HydrophobicContact CG2-CG 3.96Å
271	Y	97.1	Very high	93.6	Very high	17 Å²	17	58.8 Å²	58.8	7%	0.067	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	142.3	-176.3	-57.5	-98.5	0	0	0	111.9	F234 A258 V269 P289 Q313 A314	F234-Y271 HydrophobicContact CE1-CD1 4.25Å; F234-Y271 HydrophobicContact CE1-CE1 4.03Å; F234-Y271 HydrophobicContact CZ-CD1 4.5Å; A258-Y271 HydrophobicContact CB-CE1 3.83Å; A258-Y271 PolarHBondContact N-OH 3.43Å; A258-Y271 PolarHBondContact O-OH 3.48Å; V269-Y271 HydrophobicContact CB-CE2 4.47Å; V269-Y271 HydrophobicContact CG1-CE1 4.42Å; V269-Y271 HydrophobicContact CG1-CE2 4.1Å; Y271-P289 PolarHBondContact N-O 2.84Å; Y271-P289 VanDerWaalsContact O-CA 3.29Å; Y271-P289 WeakPolarHBondContact O-CA 3.47Å; Y271-P289 WeakPolarHBondContact O-CB 3.41Å; Y271-Q313 WeakPolarHBondContact CA-O 3.39Å; Y271-A314 HydrophobicContact CD1-CB 4.22Å; Y271-A314 HydrophobicContact CE1-CB 4.26Å
272	S	96.4	Very high	93.5	Very high	42 Å²	42	60.8 Å²	60.8	29%	0.294	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	168.4	165.6	81.1	0	0	0	0	112.1	V312 Q313	S272-V312 WeakPolarHBondContact O-CG1 3.42Å; S272-Q313 PolarHBondContact N-O 2.88Å; S272-Q313 WeakPolarHBondContact O-CG 3.49Å; S272-Q313 PolarHBondContact O-N 2.76Å; S272-Q313 WeakPolarHBondContact OG-CG 3.25Å; S272-Q313 PolarHBondContact OG-NE2 2.86Å
273	F	96.9	Very high	93.4	Very high	28 Å²	28	65.9 Å²	65.9	12%	0.123	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	148.6	162.2	-57.5	-36.9	0	0	0	110.3	V277 R282 F285 I287 I294 I310 V312	F273-V277 HydrophobicContact CB-CB 4.28Å; F273-V277 HydrophobicContact CB-CG2 4.15Å; F273-R282 HydrophobicContact CD2-CG 4.21Å; F273-F285 WeakPolarHBondContact CE2-O 3.27Å; F273-F285 HydrophobicContact CZ-CB 4.15Å; F273-I287 HydrophobicContact CD1-CB 4.37Å; F273-I287 HydrophobicContact CD1-CG2 3.97Å; F273-I287 HydrophobicContact CE1-CB 3.76Å; F273-I287 HydrophobicContact CE1-CG2 3.81Å; F273-I287 HydrophobicContact CE2-CG2 4.41Å; F273-I287 HydrophobicContact CG-CG2 4.34Å; F273-I287 HydrophobicContact CZ-CB 4.01Å; F273-I287 HydrophobicContact CZ-CG2 4.06Å; F273-I294 HydrophobicContact CE1-CD1 4.2Å; F273-I294 HydrophobicContact CE1-CG1 4.45Å; F273-I310 HydrophobicContact CD1-CG2 3.47Å; F273-I310 VanDerWaalsContact CD1-CG2 3.47Å; F273-I310 HydrophobicContact CE1-CG2 3.47Å; F273-I310 VanDerWaalsContact CE1-CG2 3.47Å; F273-I310 HydrophobicContact CG-CG2 4.3Å; F273-I310 HydrophobicContact CZ-CG2 4.29Å; F273-V312 HydrophobicContact CD1-CG2 4.47Å
274	N	94.4	Very high	93.5	Very high	17 Å²	17	61.1 Å²	61.1	9%	0.091	33%	0.325	C	S	.	.			trans	-70.7	155.2	174.4	-162.9	-31.8	0	0	0	110.5	Y276 V277 R282 D311	N274-Y276 PolarHBondContact O-N 3.26Å; N274-Y276 VanDerWaalsContact O-N 3.14Å; N274-Y276 VanDerWaalsContact OD1-CD2 3.28Å; N274-Y276 WeakPolarHBondContact OD1-CD2 2.89Å; N274-Y276 WeakPolarHBondContact OD1-CE2 3.21Å; N274-V277 HydrophobicContact CB-CG2 4.42Å; N274-V277 PolarHBondContact O-N 3.49Å; N274-V277 VanDerWaalsContact O-N 3.16Å; N274-R282 PolarHBondContact O-NH2 2.95Å; N274-D311 HydrophobicContact CB-CB 4Å; N274-D311 WeakPolarHBondContact CB-O 3.43Å; N274-D311 PolarHBondContact N-O 2.73Å
275	S	89.1	Confident	93.8	Very high	79 Å²	79	58.2 Å²	58.2	55%	0.552	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.9	-34	174.5	63.7	0	0	0	0	114.2	R282	S275-R282 PolarHBondContact O-NH2 2.87Å
276	Y	88.1	Confident	93.9	Very high	185 Å²	185	57.8 Å²	57.8	73%	0.725	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-13.9	-176.3	-46.6	-62.8	0	0	0	114.9	N274 T278	N274-Y276 PolarHBondContact O-N 3.26Å; N274-Y276 VanDerWaalsContact O-N 3.14Å; N274-Y276 VanDerWaalsContact OD1-CD2 3.28Å; N274-Y276 WeakPolarHBondContact OD1-CD2 2.89Å; N274-Y276 WeakPolarHBondContact OD1-CE2 3.21Å; Y276-T278 PolarHBondContact O-N 2.92Å
277	V	92.7	Very high	94.1	Very high	7 Å²	7	58.2 Å²	58.2	4%	0.042	29%	0.289	C	S	.	.	S	Bend	trans	-65.2	122.6	179	179.4	0	0	0	0	109.7	F273 N274 T281 R282 D311	F273-V277 HydrophobicContact CB-CB 4.28Å; F273-V277 HydrophobicContact CB-CG2 4.15Å; N274-V277 HydrophobicContact CB-CG2 4.42Å; N274-V277 PolarHBondContact O-N 3.49Å; N274-V277 VanDerWaalsContact O-N 3.16Å; V277-T281 HydrophobicContact CG1-CG2 3.54Å; V277-R282 HydrophobicContact CG1-CG 4.12Å; V277-R282 PolarHBondContact O-NE 2.79Å; V277-D311 HydrophobicContact CG2-CB 4.03Å; V277-D311 WeakPolarHBondContact CG2-O 3.42Å
278	T	92.3	Very high	94.3	Very high	86 Å²	86	60.2 Å²	60.2	53%	0.528	30%	0.295	S	S	.	.			trans	-62.1	152.4	-172.6	65.7	0	0	0	0	112.9	Y276 K280 T281 R282	Y276-T278 PolarHBondContact O-N 2.92Å; T278-K280 VanDerWaalsContact C-N 3.34Å; T278-K280 PolarHBondContact O-N 3.37Å; T278-T281 WeakPolarHBondContact O-CB 3.43Å; T278-T281 PolarHBondContact O-N 2.85Å; T278-T281 PolarHBondContact OG1-OG1 2.97Å; T278-T281 VanDerWaalsContact OG1-OG1 3.05Å; T278-R282 WeakPolarHBondContact O-CG 3.46Å; T278-R282 PolarHBondContact O-N 3.47Å; T278-R282 VanDerWaalsContact O-N 3.08Å
279	E	91.1	Very high	94.3	Very high	157 Å²	157	58.5 Å²	58.5	73%	0.734	29%	0.292	S	S	*	.	H	α-helix	trans	-56.4	-45.2	-178.3	-168.1	159.2	-138.6	0	0	112.1	T281 R282 E283	E279-T281 VanDerWaalsContact C-N 3.27Å; E279-T281 PolarHBondContact O-N 2.64Å; E279-R282 CarbonylContact O-C 3.52Å; E279-R282 WeakPolarHBondContact O-CA 3.33Å; E279-R282 WeakPolarHBondContact O-CB 3.26Å; E279-R282 PolarHBondContact O-N 2.92Å; E279-E283 WeakPolarHBondContact O-CG 3.24Å; E279-E283 PolarHBondContact O-N 2.93Å
280	K	90.7	Very high	94.2	Very high	83 Å²	83	66.6 Å²	66.6	36%	0.361	32%	0.321	S	S	.	.	H	α-helix	trans	-56.1	-37.2	174.1	-170	-177	-178.7	-172.4	0	113.4	T278 E283 A284 T304 T305	T278-K280 VanDerWaalsContact C-N 3.34Å; T278-K280 PolarHBondContact O-N 3.37Å; K280-E283 PolarHBondContact O-N 2.89Å; K280-A284 VanDerWaalsContact O-CB 3.24Å; K280-A284 WeakPolarHBondContact O-CB 3.15Å; K280-A284 PolarHBondContact O-N 3.47Å; K280-T304 VanDerWaalsContact NZ-CG2 3.3Å; K280-T305 PolarHBondContact NZ-OG1 2.83Å
281	T	93.9	Very high	94.2	Very high	9 Å²	9	67.3 Å²	67.3	6%	0.055	33%	0.325	C	S	.	.	H	α-helix	trans	-71.5	-33.6	176.4	-59.6	0	0	0	0	111.7	V277 T278 E279 A284 F285 Y308 I310	V277-T281 HydrophobicContact CG1-CG2 3.54Å; T278-T281 WeakPolarHBondContact O-CB 3.43Å; T278-T281 PolarHBondContact O-N 2.85Å; T278-T281 PolarHBondContact OG1-OG1 2.97Å; T278-T281 VanDerWaalsContact OG1-OG1 3.05Å; E279-T281 VanDerWaalsContact C-N 3.27Å; E279-T281 PolarHBondContact O-N 2.64Å; T281-A284 PolarHBondContact O-N 3.34Å; T281-F285 HydrophobicContact CG2-CD2 4.27Å; T281-F285 PolarHBondContact O-N 2.97Å; T281-Y308 HydrophobicContact CG2-CD1 4.17Å; T281-I310 HydrophobicContact CG2-CD1 4.41Å; T281-I310 HydrophobicContact CG2-CG1 3.77Å
282	R	93.7	Very high	94	Very high	111 Å²	111	66.5 Å²	66.5	42%	0.419	32%	0.322	S	S	.	.	H	α-helix	trans	-74.4	-24.4	174.6	-61.3	172.1	174.3	-144.8	-9.1	113.4	F273 N274 S275 V277 T278 E279 F285	F273-R282 HydrophobicContact CD2-CG 4.21Å; N274-R282 PolarHBondContact O-NH2 2.95Å; S275-R282 PolarHBondContact O-NH2 2.87Å; V277-R282 HydrophobicContact CG1-CG 4.12Å; V277-R282 PolarHBondContact O-NE 2.79Å; T278-R282 WeakPolarHBondContact O-CG 3.46Å; T278-R282 PolarHBondContact O-N 3.47Å; T278-R282 VanDerWaalsContact O-N 3.08Å; E279-R282 CarbonylContact O-C 3.52Å; E279-R282 WeakPolarHBondContact O-CA 3.33Å; E279-R282 WeakPolarHBondContact O-CB 3.26Å; E279-R282 PolarHBondContact O-N 2.92Å; R282-F285 CarbonylContact C-O 3.56Å
283	E	93.6	Very high	94.1	Very high	117 Å²	117	67 Å²	67	55%	0.547	32%	0.321	S	S	.	.	H	α-helix	trans	-74.4	-44.7	167.9	-67.9	176.6	142.7	0	0	110.8	E279 K280 N297 S298	E279-E283 WeakPolarHBondContact O-CG 3.24Å; E279-E283 PolarHBondContact O-N 2.93Å; K280-E283 PolarHBondContact O-N 2.89Å; E283-N297 WeakPolarHBondContact O-CB 3.33Å; E283-N297 PolarHBondContact O-ND2 3.37Å; E283-S298 PolarHBondContact O-N 2.91Å
284	A	95.4	Very high	94.1	Very high	1 Å²	1	65.7 Å²	65.7	1%	0.008	32%	0.315	C	S	.	.	H	α-helix	trans	-69	-34.3	-176.5	0	0	0	0	0	114.3	K280 T281 N297 S298 L300 Y308	K280-A284 VanDerWaalsContact O-CB 3.24Å; K280-A284 WeakPolarHBondContact O-CB 3.15Å; K280-A284 PolarHBondContact O-N 3.47Å; T281-A284 PolarHBondContact O-N 3.34Å; A284-N297 PolarHBondContact O-N 2.86Å; A284-S298 WeakPolarHBondContact CA-OG 3.47Å; A284-S298 PolarHBondContact O-N 2.78Å; A284-L300 HydrophobicContact CB-CD2 3.81Å; A284-Y308 HydrophobicContact CB-CD1 4.34Å; A284-Y308 HydrophobicContact CB-CE1 3.65Å
285	F	97.4	Very high	94.3	Very high	0 Å²	0	65.9 Å²	65.9	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	156.3	-177	-58.8	-81.3	0	0	0	112.1	V253 F273 T281 R282 I294 T295 V296 L300 Y308 I310 V330	V253-F285 HydrophobicContact CG2-CD1 3.84Å; V253-F285 HydrophobicContact CG2-CE1 3.78Å; F273-F285 WeakPolarHBondContact CE2-O 3.27Å; F273-F285 HydrophobicContact CZ-CB 4.15Å; T281-F285 HydrophobicContact CG2-CD2 4.27Å; T281-F285 PolarHBondContact O-N 2.97Å; R282-F285 CarbonylContact C-O 3.56Å; F285-I294 HydrophobicContact CB-CG2 4.21Å; F285-I294 HydrophobicContact CD1-CG2 4.34Å; F285-T295 WeakPolarHBondContact CA-O 3.4Å; F285-V296 HydrophobicContact CD1-CG2 4.49Å; F285-V296 HydrophobicContact CE1-CG2 4.13Å; F285-L300 HydrophobicContact CE1-CD1 4.04Å; F285-L300 HydrophobicContact CE1-CD2 4.32Å; F285-L300 HydrophobicContact CE2-CD2 4.09Å; F285-L300 HydrophobicContact CZ-CD1 3.81Å; F285-L300 HydrophobicContact CZ-CD2 3.76Å; F285-L300 HydrophobicContact CZ-CG 4.47Å; F285-Y308 HydrophobicContact CD2-CD1 4.32Å; F285-Y308 AromaticContact CE2-CD1 3.72Å; F285-Y308 HydrophobicContact CE2-CD1 3.72Å; F285-Y308 HydrophobicContact CE2-CD2 4.01Å; F285-Y308 HydrophobicContact CE2-CE1 4.18Å; F285-Y308 HydrophobicContact CE2-CE2 4.47Å; F285-Y308 AromaticContact CE2-CG 3.6Å; F285-Y308 HydrophobicContact CE2-CG 3.6Å; F285-Y308 HydrophobicContact CZ-CD2 4.42Å; F285-Y308 HydrophobicContact CZ-CG 4.38Å; F285-I310 HydrophobicContact CB-CD1 4.12Å; F285-I310 HydrophobicContact CD1-CD1 4.44Å; F285-I310 HydrophobicContact CD2-CD1 3.81Å; F285-I310 HydrophobicContact CE2-CD1 4.37Å; F285-I310 HydrophobicContact CG-CD1 3.85Å; F285-V330 HydrophobicContact CE1-CG1 4.23Å; F285-V330 HydrophobicContact CZ-CB 4.26Å; F285-V330 HydrophobicContact CZ-CG1 3.92Å; F285-V330 HydrophobicContact CZ-CG2 4.39Å
286	K	96.4	Very high	94.7	Very high	69 Å²	69	62.1 Å²	62.1	30%	0.3	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	154.8	169.6	66.3	-174.8	165	-153.6	0	110.5	N250 I294 T295 N297	N250-K286 PolarHBondContact OD1-NZ 3.27Å; K286-I294 CarbonylContact O-C 3.56Å; K286-I294 VanDerWaalsContact O-CA 3.32Å; K286-I294 WeakPolarHBondContact O-CA 3.39Å; K286-T295 WeakPolarHBondContact CE-OG1 3.37Å; K286-T295 VanDerWaalsContact CG-OG1 3.27Å; K286-T295 WeakPolarHBondContact CG-OG1 3.16Å; K286-T295 PolarHBondContact N-O 3.33Å; K286-T295 PolarHBondContact O-N 2.96Å; K286-N297 HydrophobicContact CB-CB 4.27Å; K286-N297 HydrophobicContact CD-CB 4.3Å; K286-N297 WeakPolarHBondContact CD-OD1 3.24Å; K286-N297 HydrophobicContact CG-CB 4.18Å; K286-N297 PolarHBondContact NZ-OD1 3.48Å
287	I	97.5	Very high	95.1	Very high	26 Å²	26	56.3 Å²	56.3	13%	0.133	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	137.5	174.7	-170.6	164.4	0	0	0	109.6	L256 F273 I293 I294 V312	L256-I287 HydrophobicContact CD1-CD1 4.32Å; F273-I287 HydrophobicContact CD1-CB 4.37Å; F273-I287 HydrophobicContact CD1-CG2 3.97Å; F273-I287 HydrophobicContact CE1-CB 3.76Å; F273-I287 HydrophobicContact CE1-CG2 3.81Å; F273-I287 HydrophobicContact CE2-CG2 4.41Å; F273-I287 HydrophobicContact CG-CG2 4.34Å; F273-I287 HydrophobicContact CZ-CB 4.01Å; F273-I287 HydrophobicContact CZ-CG2 4.06Å; I287-I293 CarbonylContact C-O 3.57Å; I287-I293 WeakPolarHBondContact CA-O 3.29Å; I287-I294 HydrophobicContact CB-CG1 4.15Å; I287-I294 HydrophobicContact CD1-CD1 4.36Å; I287-I294 HydrophobicContact CD1-CG1 3.94Å; I287-I294 HydrophobicContact CG1-CG1 3.98Å; I287-V312 HydrophobicContact CD1-CG1 3.71Å
288	D	96.9	Very high	95.1	Very high	61 Å²	61	58 Å²	58	33%	0.326	28%	0.284	S	S	.	.			trans	-76.2	121.5	166.6	-171.7	-62	0	0	0	108.8	R290 T291 G292 I293	D288-R290 PolarHBondContact O-N 2.95Å; D288-R290 VanDerWaalsContact O-N 3.13Å; D288-R290 PolarHBondContact OD1-N 2.98Å; D288-T291 PolarHBondContact O-N 2.94Å; D288-T291 PolarHBondContact OD1-N 3.16Å; D288-G292 PolarHBondContact O-N 3.11Å; D288-G292 VanDerWaalsContact O-N 3.09Å; D288-I293 PolarHBondContact N-O 2.9Å
289	P	96.1	Very high	95.1	Very high	63 Å²	63	58.8 Å²	58.8	41%	0.409	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-9.8	-172.6	29	-36.2	0	0	0	114.3	V270 Y271	V270-P289 CarbonylContact C-O 3.58Å; V270-P289 WeakPolarHBondContact CA-O 3.4Å; V270-P289 HydrophobicContact CG1-CB 4.16Å; V270-P289 WeakPolarHBondContact CG1-O 3.32Å; Y271-P289 PolarHBondContact N-O 2.84Å; Y271-P289 VanDerWaalsContact O-CA 3.29Å; Y271-P289 WeakPolarHBondContact O-CA 3.47Å; Y271-P289 WeakPolarHBondContact O-CB 3.41Å
290	R	93.4	Very high	95.3	Very high	191 Å²	191	51.5 Å²	51.5	72%	0.721	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.6	-16.8	178.7	-66.7	177.9	-61.8	-177.2	1.9	114.2	D288	D288-R290 PolarHBondContact O-N 2.95Å; D288-R290 VanDerWaalsContact O-N 3.13Å; D288-R290 PolarHBondContact OD1-N 2.98Å
291	T	94.8	Very high	95.5	Very high	65 Å²	65	50.7 Å²	50.7	40%	0.399	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.6	-0.6	-178.5	83.6	0	0	0	0	113.9	D288 I293	D288-T291 PolarHBondContact O-N 2.94Å; D288-T291 PolarHBondContact OD1-N 3.16Å; T291-I293 PolarHBondContact O-N 3.43Å; T291-I293 WeakPolarHBondContact OG1-CB 3.39Å; T291-I293 WeakPolarHBondContact OG1-CD1 2.79Å; T291-I293 WeakPolarHBondContact OG1-CG1 3.15Å
292	G	94.4	Very high	95.6	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	26%	0.26	C	S	.	.			trans	66.7	-5	-179.1	0	0	0	0	0	115.4	L256 D288 I294	L256-G292 WeakPolarHBondContact CB-O 3.48Å; L256-G292 PolarHBondContact N-O 3.32Å; D288-G292 PolarHBondContact O-N 3.11Å; D288-G292 VanDerWaalsContact O-N 3.09Å; G292-I294 PolarHBondContact O-N 3.34Å
293	I	97.6	Very high	95.7	Very high	52 Å²	52	49.3 Å²	49.3	27%	0.267	25%	0.251	S	S	.	.			trans	-66.8	119.8	-175.3	-72.2	172.5	0	0	0	110.4	L252 D255 I287 D288 T291 T295	L252-I293 HydrophobicContact CD1-CG2 3.64Å; D255-I293 HydrophobicContact CB-CG1 4.34Å; D255-I293 WeakPolarHBondContact OD1-CG1 3.31Å; I287-I293 CarbonylContact C-O 3.57Å; I287-I293 WeakPolarHBondContact CA-O 3.29Å; D288-I293 PolarHBondContact N-O 2.9Å; T291-I293 PolarHBondContact O-N 3.43Å; T291-I293 WeakPolarHBondContact OG1-CB 3.39Å; T291-I293 WeakPolarHBondContact OG1-CD1 2.79Å; T291-I293 WeakPolarHBondContact OG1-CG1 3.15Å; I293-T295 HydrophobicContact CG2-CG2 3.95Å
294	I	97.8	Very high	95.6	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	130.3	170.3	-59.1	-177.7	0	0	0	109.4	V253 I254 L256 F273 F285 K286 I287 G292 I310 V312 V328	V253-I294 HydrophobicContact CB-CB 4.32Å; V253-I294 HydrophobicContact CB-CG2 4.04Å; V253-I294 WeakPolarHBondContact CB-O 3.35Å; V253-I294 HydrophobicContact CG1-CG2 4.46Å; V253-I294 HydrophobicContact CG2-CG2 4.26Å; V253-I294 PolarHBondContact N-O 3.09Å; I254-I294 HydrophobicContact CG2-CB 3.92Å; I254-I294 HydrophobicContact CG2-CD1 3.94Å; I254-I294 HydrophobicContact CG2-CG1 4.1Å; I254-I294 PolarHBondContact N-O 2.98Å; I254-I294 PolarHBondContact O-N 3.19Å; L256-I294 HydrophobicContact CD1-CD1 3.71Å; L256-I294 HydrophobicContact CD1-CG1 4.16Å; F273-I294 HydrophobicContact CE1-CD1 4.2Å; F273-I294 HydrophobicContact CE1-CG1 4.45Å; F285-I294 HydrophobicContact CB-CG2 4.21Å; F285-I294 HydrophobicContact CD1-CG2 4.34Å; K286-I294 CarbonylContact O-C 3.56Å; K286-I294 VanDerWaalsContact O-CA 3.32Å; K286-I294 WeakPolarHBondContact O-CA 3.39Å; I287-I294 HydrophobicContact CB-CG1 4.15Å; I287-I294 HydrophobicContact CD1-CD1 4.36Å; I287-I294 HydrophobicContact CD1-CG1 3.94Å; I287-I294 HydrophobicContact CG1-CG1 3.98Å; G292-I294 PolarHBondContact O-N 3.34Å; I294-I310 HydrophobicContact CG2-CD1 4.41Å; I294-V312 HydrophobicContact CD1-CG2 3.91Å; I294-V328 HydrophobicContact CD1-CG2 4.12Å
295	T	97.4	Very high	95.5	Very high	22 Å²	22	49.5 Å²	49.5	14%	0.135	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	151.1	175.4	47.3	0	0	0	0	112.3	T251 F285 K286 I293	T251-T295 CarbonylContact O-C 3.5Å; T251-T295 VanDerWaalsContact O-CA 3.24Å; T251-T295 WeakPolarHBondContact O-CA 3.21Å; T251-T295 WeakPolarHBondContact O-CB 3.43Å; F285-T295 WeakPolarHBondContact CA-O 3.4Å; K286-T295 WeakPolarHBondContact CE-OG1 3.37Å; K286-T295 VanDerWaalsContact CG-OG1 3.27Å; K286-T295 WeakPolarHBondContact CG-OG1 3.16Å; K286-T295 PolarHBondContact N-O 3.33Å; K286-T295 PolarHBondContact O-N 2.96Å; I293-T295 HydrophobicContact CG2-CG2 3.95Å
296	V	97.3	Very high	95.4	Very high	0 Å²	0	53 Å²	53	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.6	132.6	169.1	178.4	0	0	0	0	109.5	V243 N250 T251 V253 F285 S298 L300	V243-V296 HydrophobicContact CG1-CG2 4.06Å; N250-V296 WeakPolarHBondContact CA-O 3.35Å; N250-V296 PolarHBondContact N-O 3.48Å; T251-V296 HydrophobicContact CG2-CG2 4.46Å; T251-V296 PolarHBondContact O-N 2.84Å; V253-V296 HydrophobicContact CG2-CG2 3.82Å; F285-V296 HydrophobicContact CD1-CG2 4.49Å; F285-V296 HydrophobicContact CE1-CG2 4.13Å; V296-S298 WeakPolarHBondContact CG1-O 3.15Å; V296-L300 HydrophobicContact CG1-CD1 4.36Å; V296-L300 HydrophobicContact CG1-CG 4.18Å; V296-L300 HydrophobicContact CG2-CD1 4.17Å
297	N	96.2	Very high	95.3	Very high	62 Å²	62	54.2 Å²	54.2	33%	0.332	28%	0.284	S	S	.	.			trans	-119.5	-30.7	-175.2	-173.1	69	0	0	0	113.9	V249 E283 A284 K286	V249-N297 WeakPolarHBondContact CG1-O 3.43Å; E283-N297 WeakPolarHBondContact O-CB 3.33Å; E283-N297 PolarHBondContact O-ND2 3.37Å; A284-N297 PolarHBondContact O-N 2.86Å; K286-N297 HydrophobicContact CB-CB 4.27Å; K286-N297 HydrophobicContact CD-CB 4.3Å; K286-N297 WeakPolarHBondContact CD-OD1 3.24Å; K286-N297 HydrophobicContact CG-CB 4.18Å; K286-N297 PolarHBondContact NZ-OD1 3.48Å
298	S	93.9	Very high	95.2	Very high	42 Å²	42	53.4 Å²	53.4	29%	0.294	28%	0.279	S	S	.	.	S	Bend	trans	-115	176.4	166.4	77.4	0	0	0	0	111.1	E283 A284 V296	E283-S298 PolarHBondContact O-N 2.91Å; A284-S298 WeakPolarHBondContact CA-OG 3.47Å; A284-S298 PolarHBondContact O-N 2.78Å; V296-S298 WeakPolarHBondContact CG1-O 3.15Å
299	V	92.4	Very high	95.1	Very high	103 Å²	103	55.3 Å²	55.3	62%	0.624	29%	0.286	S	S	*	.			trans	-63.6	140.2	161	-177.2	0	0	0	0	108.1
300	L	94.9	Very high	95.2	Very high	4 Å²	4	52.3 Å²	52.3	2%	0.021	27%	0.267	C	S	.	.			trans	-100.1	159.1	173	-52.9	175.3	0	0	0	109.2	V243 E245 A284 F285 V296 Y308	V243-L300 HydrophobicContact CG1-CD1 3.95Å; E245-L300 CarbonylContact C-O 3.56Å; E245-L300 HydrophobicContact CB-CB 4.42Å; E245-L300 WeakPolarHBondContact O-CB 3.08Å; E245-L300 PolarHBondContact O-N 3.21Å; A284-L300 HydrophobicContact CB-CD2 3.81Å; F285-L300 HydrophobicContact CE1-CD1 4.04Å; F285-L300 HydrophobicContact CE1-CD2 4.32Å; F285-L300 HydrophobicContact CE2-CD2 4.09Å; F285-L300 HydrophobicContact CZ-CD1 3.81Å; F285-L300 HydrophobicContact CZ-CD2 3.76Å; F285-L300 HydrophobicContact CZ-CG 4.47Å; V296-L300 HydrophobicContact CG1-CD1 4.36Å; V296-L300 HydrophobicContact CG1-CG 4.18Å; V296-L300 HydrophobicContact CG2-CD1 4.17Å; L300-Y308 HydrophobicContact CD2-CE2 4.41Å
301	D	94.9	Very high	95.3	Very high	67 Å²	67	46 Å²	46	36%	0.358	25%	0.247	S	C	.	.			trans	-148.3	112.8	-170.2	168.1	-17.6	0	0	0	107.5	E303 T304 T305	D301-E303 PolarHBondContact OD1-N 2.85Å; D301-E303 VanDerWaalsContact OD1-N 3.14Å; D301-T304 VanDerWaalsContact CG-CB 3.41Å; D301-T304 VanDerWaalsContact OD1-CB 3.32Å; D301-T304 WeakPolarHBondContact OD1-CB 3.39Å; D301-T304 PolarHBondContact OD1-N 3.42Å; D301-T304 PolarHBondContact OD1-OG1 3Å; D301-T304 VanDerWaalsContact OD2-CB 3.28Å; D301-T304 WeakPolarHBondContact OD2-CB 3.41Å; D301-T304 PolarHBondContact OD2-OG1 3.05Å; D301-T305 PolarHBondContact O-N 2.98Å
302	Y	95.8	Very high	95.4	Very high	44 Å²	44	42.9 Å²	42.9	17%	0.173	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73	-39.3	-176	-179.4	-112.9	0	0	0	111.2	E245 T304 T305 K306 V332 D334	E245-Y302 WeakPolarHBondContact OE2-CB 3.03Å; E245-Y302 PolarHBondContact OE2-N 2.95Å; Y302-T304 PolarHBondContact O-N 3.47Å; Y302-T305 PolarHBondContact O-N 2.92Å; Y302-K306 HydrophobicContact CD1-CG 4.45Å; Y302-K306 HydrophobicContact CD2-CB 3.89Å; Y302-K306 HydrophobicContact CD2-CD 4.27Å; Y302-K306 HydrophobicContact CD2-CG 3.59Å; Y302-K306 HydrophobicContact CE1-CD 4.05Å; Y302-K306 HydrophobicContact CE1-CG 4.38Å; Y302-K306 HydrophobicContact CE2-CB 3.68Å; Y302-K306 HydrophobicContact CE2-CD 3.77Å; Y302-K306 HydrophobicContact CE2-CG 3.49Å; Y302-K306 VanDerWaalsContact CE2-CG 3.49Å; Y302-K306 HydrophobicContact CG-CG 4.06Å; Y302-K306 WeakPolarHBondContact O-CE 3.33Å; Y302-K306 WeakPolarHBondContact O-CG 3.2Å; Y302-K306 PolarHBondContact O-NZ 2.81Å; Y302-V332 HydrophobicContact CD2-CB 4.09Å; Y302-V332 HydrophobicContact CD2-CG1 4.12Å; Y302-V332 WeakPolarHBondContact CD2-O 3.08Å; Y302-V332 VanDerWaalsContact CE2-O 3.23Å; Y302-V332 WeakPolarHBondContact CE2-O 3.12Å; Y302-D334 HydrophobicContact CD1-CB 3.65Å; Y302-D334 HydrophobicContact CE1-CB 3.47Å; Y302-D334 VanDerWaalsContact CE1-CB 3.47Å; Y302-D334 WeakPolarHBondContact CE1-OD2 3.19Å; Y302-D334 HydrophobicContact CE2-CB 4.41Å; Y302-D334 HydrophobicContact CG-CB 4.22Å
303	E	95	Very high	95.5	Very high	47 Å²	47	45.3 Å²	45.3	22%	0.22	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-35.7	177.8	-84.1	40.4	-97.3	0	0	111.9	D301 K306 K372	D301-E303 PolarHBondContact OD1-N 2.85Å; D301-E303 VanDerWaalsContact OD1-N 3.14Å; E303-K306 IonicContact OE1-NZ 3.61Å; E303-K306 PolarHBondContact OE1-NZ 2.79Å; E303-K372 HydrophobicContact CG-CB 3.67Å; E303-K372 HydrophobicContact CG-CD 4.17Å
304	T	92.6	Very high	95.4	Very high	87 Å²	87	42.8 Å²	42.8	53%	0.534	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-38.7	177.9	-57.2	0	0	0	0	112.5	K280 D301 Y302	K280-T304 VanDerWaalsContact NZ-CG2 3.3Å; D301-T304 VanDerWaalsContact CG-CB 3.41Å; D301-T304 VanDerWaalsContact OD1-CB 3.32Å; D301-T304 WeakPolarHBondContact OD1-CB 3.39Å; D301-T304 PolarHBondContact OD1-N 3.42Å; D301-T304 PolarHBondContact OD1-OG1 3Å; D301-T304 VanDerWaalsContact OD2-CB 3.28Å; D301-T304 WeakPolarHBondContact OD2-CB 3.41Å; D301-T304 PolarHBondContact OD2-OG1 3.05Å; Y302-T304 PolarHBondContact O-N 3.47Å
305	T	93.2	Very high	95.3	Very high	34 Å²	34	47 Å²	47	21%	0.209	25%	0.245	C	C	.	.			trans	-153	98.4	-179.2	-57.5	0	0	0	0	113.8	K280 D301 Y302 I307 Y308 V332	K280-T305 PolarHBondContact NZ-OG1 2.83Å; D301-T305 PolarHBondContact O-N 2.98Å; Y302-T305 PolarHBondContact O-N 2.92Å; T305-I307 WeakPolarHBondContact CG2-O 3.4Å; T305-Y308 HydrophobicContact CG2-CD1 4.35Å; T305-Y308 HydrophobicContact CG2-CD2 3.77Å; T305-Y308 HydrophobicContact CG2-CE1 4.12Å; T305-Y308 HydrophobicContact CG2-CE2 3.46Å; T305-Y308 VanDerWaalsContact CG2-CE2 3.46Å; T305-Y308 HydrophobicContact CG2-CG 4.21Å; T305-Y308 WeakPolarHBondContact O-CE2 3.2Å; T305-V332 WeakPolarHBondContact O-CG2 3.15Å
306	K	94.3	Very high	95.3	Very high	74 Å²	74	46.1 Å²	46.1	32%	0.322	24%	0.239	S	C	.	.	S	Bend	trans	-73.9	-24.4	-175.8	-58.2	-175.5	-174.9	-83.3	0	115	Y302 E303 V332 S374	Y302-K306 HydrophobicContact CD1-CG 4.45Å; Y302-K306 HydrophobicContact CD2-CB 3.89Å; Y302-K306 HydrophobicContact CD2-CD 4.27Å; Y302-K306 HydrophobicContact CD2-CG 3.59Å; Y302-K306 HydrophobicContact CE1-CD 4.05Å; Y302-K306 HydrophobicContact CE1-CG 4.38Å; Y302-K306 HydrophobicContact CE2-CB 3.68Å; Y302-K306 HydrophobicContact CE2-CD 3.77Å; Y302-K306 HydrophobicContact CE2-CG 3.49Å; Y302-K306 VanDerWaalsContact CE2-CG 3.49Å; Y302-K306 HydrophobicContact CG-CG 4.06Å; Y302-K306 WeakPolarHBondContact O-CE 3.33Å; Y302-K306 WeakPolarHBondContact O-CG 3.2Å; Y302-K306 PolarHBondContact O-NZ 2.81Å; E303-K306 IonicContact OE1-NZ 3.61Å; E303-K306 PolarHBondContact OE1-NZ 2.79Å; K306-V332 PolarHBondContact O-N 2.82Å; K306-S374 PolarHBondContact NZ-OG 3.27Å
307	I	95.6	Very high	95.1	Very high	94 Å²	94	50.7 Å²	50.7	48%	0.482	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	130.8	-179.5	-55.7	178.2	0	0	0	108.8	T305 E309 T329 V330	T305-I307 WeakPolarHBondContact CG2-O 3.4Å; I307-E309 HydrophobicContact CG2-CG 4.38Å; I307-T329 HydrophobicContact CG2-CG2 3.68Å; I307-V330 WeakPolarHBondContact CA-O 3.16Å
308	Y	95.5	Very high	94.9	Very high	10 Å²	10	48.4 Å²	48.4	4%	0.039	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	134	168.8	-71.8	-105.2	0	0	0	109.6	T281 A284 F285 L300 T305 V330 V332	T281-Y308 HydrophobicContact CG2-CD1 4.17Å; A284-Y308 HydrophobicContact CB-CD1 4.34Å; A284-Y308 HydrophobicContact CB-CE1 3.65Å; F285-Y308 HydrophobicContact CD2-CD1 4.32Å; F285-Y308 AromaticContact CE2-CD1 3.72Å; F285-Y308 HydrophobicContact CE2-CD1 3.72Å; F285-Y308 HydrophobicContact CE2-CD2 4.01Å; F285-Y308 HydrophobicContact CE2-CE1 4.18Å; F285-Y308 HydrophobicContact CE2-CE2 4.47Å; F285-Y308 AromaticContact CE2-CG 3.6Å; F285-Y308 HydrophobicContact CE2-CG 3.6Å; F285-Y308 HydrophobicContact CZ-CD2 4.42Å; F285-Y308 HydrophobicContact CZ-CG 4.38Å; L300-Y308 HydrophobicContact CD2-CE2 4.41Å; T305-Y308 HydrophobicContact CG2-CD1 4.35Å; T305-Y308 HydrophobicContact CG2-CD2 3.77Å; T305-Y308 HydrophobicContact CG2-CE1 4.12Å; T305-Y308 HydrophobicContact CG2-CE2 3.46Å; T305-Y308 VanDerWaalsContact CG2-CE2 3.46Å; T305-Y308 HydrophobicContact CG2-CG 4.21Å; T305-Y308 WeakPolarHBondContact O-CE2 3.2Å; Y308-V330 PolarHBondContact N-O 2.74Å; Y308-V330 PolarHBondContact O-N 3.07Å; Y308-V332 HydrophobicContact CD2-CG2 3.8Å; Y308-V332 HydrophobicContact CE2-CG2 3.85Å
309	E	95	Very high	94.6	Very high	101 Å²	101	50.3 Å²	50.3	47%	0.472	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	121.7	174.2	-58.9	-158.7	124.2	0	0	108.9	I307 K327	I307-E309 HydrophobicContact CG2-CG 4.38Å; E309-K327 VanDerWaalsContact OE1-CE 3.29Å; E309-K327 WeakPolarHBondContact OE1-CE 3.48Å; E309-K327 IonicContact OE1-NZ 2.81Å; E309-K327 PolarHBondContact OE1-NZ 3.28Å; E309-K327 WeakPolarHBondContact OE2-CE 3.21Å; E309-K327 IonicContact OE2-NZ 3.64Å; E309-K327 PolarHBondContact OE2-NZ 3.35Å
310	I	96.5	Very high	94.5	Very high	0 Å²	0	53 Å²	53	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	101.2	-175.3	-43.7	-179.9	0	0	0	108.1	F273 T281 F285 I294 V312 V328 V330	F273-I310 HydrophobicContact CD1-CG2 3.47Å; F273-I310 VanDerWaalsContact CD1-CG2 3.47Å; F273-I310 HydrophobicContact CE1-CG2 3.47Å; F273-I310 VanDerWaalsContact CE1-CG2 3.47Å; F273-I310 HydrophobicContact CG-CG2 4.3Å; F273-I310 HydrophobicContact CZ-CG2 4.29Å; T281-I310 HydrophobicContact CG2-CD1 4.41Å; T281-I310 HydrophobicContact CG2-CG1 3.77Å; F285-I310 HydrophobicContact CB-CD1 4.12Å; F285-I310 HydrophobicContact CD1-CD1 4.44Å; F285-I310 HydrophobicContact CD2-CD1 3.81Å; F285-I310 HydrophobicContact CE2-CD1 4.37Å; F285-I310 HydrophobicContact CG-CD1 3.85Å; I294-I310 HydrophobicContact CG2-CD1 4.41Å; I310-V312 HydrophobicContact CG2-CG2 4.02Å; I310-V312 PolarHBondContact O-N 3.25Å; I310-V328 HydrophobicContact CB-CB 4.28Å; I310-V328 PolarHBondContact N-O 3.16Å; I310-V328 PolarHBondContact O-N 2.82Å; I310-V330 HydrophobicContact CD1-CG2 3.86Å; I310-V330 HydrophobicContact CG1-CG2 4.48Å
311	D	96.3	Very high	94.3	Very high	57 Å²	57	53.2 Å²	53.2	31%	0.305	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	111.3	169.6	-61.3	-46	0	0	0	108.9	N274 V277	N274-D311 HydrophobicContact CB-CB 4Å; N274-D311 WeakPolarHBondContact CB-O 3.43Å; N274-D311 PolarHBondContact N-O 2.73Å; V277-D311 HydrophobicContact CG2-CB 4.03Å; V277-D311 WeakPolarHBondContact CG2-O 3.42Å
312	V	97.1	Very high	94.1	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	146.6	-179.8	-174.3	0	0	0	0	108.9	F234 L256 S272 F273 I287 I294 I310 H325 C326 V328	F234-V312 HydrophobicContact CZ-CG1 4.14Å; L256-V312 HydrophobicContact CD1-CB 4.26Å; L256-V312 HydrophobicContact CD1-CG1 3.9Å; L256-V312 HydrophobicContact CD1-CG2 3.91Å; S272-V312 WeakPolarHBondContact O-CG1 3.42Å; F273-V312 HydrophobicContact CD1-CG2 4.47Å; I287-V312 HydrophobicContact CD1-CG1 3.71Å; I294-V312 HydrophobicContact CD1-CG2 3.91Å; I310-V312 HydrophobicContact CG2-CG2 4.02Å; I310-V312 PolarHBondContact O-N 3.25Å; V312-H325 WeakPolarHBondContact O-CA 3.36Å; V312-C326 PolarHBondContact N-O 2.84Å; V312-C326 PolarHBondContact O-N 3.35Å; V312-V328 HydrophobicContact CG2-CG2 4.01Å
313	Q	95.8	Very high	94	Very high	51 Å²	51	55.5 Å²	55.5	24%	0.238	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	137.5	169.2	62.9	-177.9	42.7	0	0	110.6	Y271 S272 A324 H325	Y271-Q313 WeakPolarHBondContact CA-O 3.39Å; S272-Q313 PolarHBondContact N-O 2.88Å; S272-Q313 WeakPolarHBondContact O-CG 3.49Å; S272-Q313 PolarHBondContact O-N 2.76Å; S272-Q313 WeakPolarHBondContact OG-CG 3.25Å; S272-Q313 PolarHBondContact OG-NE2 2.86Å; Q313-A324 VanDerWaalsContact CA-O 3.24Å; Q313-A324 WeakPolarHBondContact CA-O 3.24Å; Q313-H325 WeakPolarHBondContact CB-ND1 3.44Å
314	A	96.7	Very high	94	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	136.3	166.3	0	0	0	0	0	107.8	P232 F234 A258 V269 Y271 P323 A324	P232-A314 HydrophobicContact CB-CB 4.12Å; F234-A314 HydrophobicContact CE1-CB 4.11Å; F234-A314 HydrophobicContact CE2-CB 3.61Å; F234-A314 HydrophobicContact CZ-CB 3.38Å; A258-A314 HydrophobicContact CB-CB 3.65Å; V269-A314 HydrophobicContact CG1-CB 3.75Å; Y271-A314 HydrophobicContact CD1-CB 4.22Å; Y271-A314 HydrophobicContact CE1-CB 4.26Å; A314-P323 CarbonylContact O-C 3.6Å; A314-P323 VanDerWaalsContact O-CA 3.31Å; A314-P323 WeakPolarHBondContact O-CA 3.11Å; A314-A324 PolarHBondContact N-O 3Å; A314-A324 PolarHBondContact O-N 3.08Å
315	K	95.3	Very high	94.2	Very high	87 Å²	87	55.2 Å²	55.2	38%	0.378	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	130.6	-179.2	-166.1	-169.9	172.9	-178.9	0	109.6	V270 S321 P323	V270-K315 WeakPolarHBondContact CA-O 3.46Å; V270-K315 PolarHBondContact N-O 2.84Å; V270-K315 PolarHBondContact O-N 2.9Å; K315-S321 WeakPolarHBondContact CE-O 3.38Å; K315-S321 WeakPolarHBondContact CE-OG 3.48Å; K315-S321 WeakPolarHBondContact CG-OG 3.45Å; K315-P323 HydrophobicContact CB-CB 4.13Å; K315-P323 HydrophobicContact CG-CB 4.16Å
316	D	95.9	Very high	94.3	Very high	5 Å²	5	53.8 Å²	53.8	3%	0.027	28%	0.283	C	S	.	.			trans	-68.7	176.6	171.3	62	84.9	0	0	0	113.2	N228 P232 N266 E268 G318 S321	N228-D316 PolarHBondContact OD1-OD1 2.88Å; N228-D316 VanDerWaalsContact OD1-OD1 3.07Å; P232-D316 HydrophobicContact CG-CB 4.14Å; N266-D316 WeakPolarHBondContact O-CB 3.04Å; E268-D316 WeakPolarHBondContact O-CA 3.36Å; D316-G318 WeakPolarHBondContact OD1-CA 3.39Å; D316-G318 PolarHBondContact OD1-N 3.05Å; D316-S321 WeakPolarHBondContact OD1-CB 3.29Å; D316-S321 PolarHBondContact OD1-OG 2.85Å; D316-S321 VanDerWaalsContact OD2-CB 3.28Å; D316-S321 WeakPolarHBondContact OD2-CB 3.31Å; D316-S321 PolarHBondContact OD2-OG 2.79Å
317	L	94.4	Very high	94.4	Very high	95 Å²	95	53 Å²	53	50%	0.497	28%	0.28	S	S	.	.	S	Bend	trans	-100.8	7.9	177.9	-65.5	178.6	0	0	0	113.4	T265 E268 V270	T265-L317 CarbonylContact O-C 3.51Å; T265-L317 WeakPolarHBondContact O-CA 3.5Å; T265-L317 WeakPolarHBondContact O-CB 3.32Å; T265-L317 PolarHBondContact O-N 3.34Å; E268-L317 HydrophobicContact CB-CD1 4.19Å; E268-L317 HydrophobicContact CG-CD1 3.99Å; E268-L317 PolarHBondContact O-N 3.42Å; V270-L317 HydrophobicContact CG2-CD1 4.2Å; V270-L317 HydrophobicContact CG2-CD2 3.83Å; V270-L317 HydrophobicContact CG2-CG 3.96Å
318	G	91.1	Very high	94.5	Very high	14 Å²	14	48.6 Å²	48.6	14%	0.144	26%	0.257	C	S	.	.	S	Bend	trans	-82.5	171.4	-178	0	0	0	0	0	115	N228 T265 N266 D316	N228-G318 WeakPolarHBondContact OD1-CA 3.36Å; T265-G318 PolarHBondContact O-N 3.44Å; N266-G318 WeakPolarHBondContact OD1-CA 3.38Å; D316-G318 WeakPolarHBondContact OD1-CA 3.39Å; D316-G318 PolarHBondContact OD1-N 3.05Å
319	P	88.9	Confident	94.6	Very high	82 Å²	82	49 Å²	49	53%	0.532	26%	0.261	S	S	.	.	S	Bend	trans	-72.2	142.6	175.4	31	-34.2	0	0	0	111.1	N228 S321	N228-P319 HydrophobicContact CB-CG 4.38Å; P319-S321 PolarHBondContact O-N 3.48Å
320	N	88.7	Confident	94.7	Very high	159 Å²	159	44.2 Å²	44.2	85%	0.85	24%	0.238	S	C	*	.	S	Bend	trans	65.7	-10.8	178.3	-48.9	-48.1	0	0	0	117.4	I322	N320-I322 PolarHBondContact O-N 2.87Å
321	S	90.7	Very high	94.7	Very high	9 Å²	9	46.1 Å²	46.1	6%	0.063	25%	0.248	C	C	.	.			trans	-15.4	119.4	164.7	178.1	0	0	0	0	117.1	K315 D316 P319	K315-S321 WeakPolarHBondContact CE-O 3.38Å; K315-S321 WeakPolarHBondContact CE-OG 3.48Å; K315-S321 WeakPolarHBondContact CG-OG 3.45Å; D316-S321 WeakPolarHBondContact OD1-CB 3.29Å; D316-S321 PolarHBondContact OD1-OG 2.85Å; D316-S321 VanDerWaalsContact OD2-CB 3.28Å; D316-S321 WeakPolarHBondContact OD2-CB 3.31Å; D316-S321 PolarHBondContact OD2-OG 2.79Å; P319-S321 PolarHBondContact O-N 3.48Å
322	I	92.5	Very high	94.7	Very high	111 Å²	111	43.6 Å²	43.6	57%	0.569	24%	0.235	S	C	*	.	P	Polyproline II helix	trans	-102.9	118.6	175.9	-49.5	176.1	0	0	0	108.6	N231 N320 A324	N231-I322 WeakPolarHBondContact OD1-CA 3.21Å; N231-I322 WeakPolarHBondContact OD1-CB 3.44Å; N231-I322 PolarHBondContact OD1-N 3.4Å; N231-I322 PolarHBondContact OD1-O 2.96Å; N320-I322 PolarHBondContact O-N 2.87Å; I322-A324 PolarHBondContact O-N 3.23Å
323	P	93.5	Very high	94.6	Very high	49 Å²	49	47 Å²	47	32%	0.318	25%	0.252	S	S	.	.	P	Polyproline II helix	trans	-69.1	135.6	-179	29.3	-34.8	0	0	0	111.5	A314 K315	A314-P323 CarbonylContact O-C 3.6Å; A314-P323 VanDerWaalsContact O-CA 3.31Å; A314-P323 WeakPolarHBondContact O-CA 3.11Å; K315-P323 HydrophobicContact CB-CB 4.13Å; K315-P323 HydrophobicContact CG-CB 4.16Å
324	A	95.1	Very high	94.6	Very high	25 Å²	25	46 Å²	46	21%	0.207	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	160.8	167.6	0	0	0	0	0	111.6	P232 F234 Q313 A314 I322	P232-A324 WeakPolarHBondContact O-CB 3.28Å; F234-A324 HydrophobicContact CD2-CB 4.38Å; F234-A324 HydrophobicContact CE2-CB 4.44Å; Q313-A324 VanDerWaalsContact CA-O 3.24Å; Q313-A324 WeakPolarHBondContact CA-O 3.24Å; A314-A324 PolarHBondContact N-O 3Å; A314-A324 PolarHBondContact O-N 3.08Å; I322-A324 PolarHBondContact O-N 3.23Å
325	H	95.2	Very high	94.5	Very high	103 Å²	103	47.5 Å²	47.5	48%	0.477	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	139.4	-173.8	-62.5	-50.6	0	0	0	112	V312 Q313	V312-H325 WeakPolarHBondContact O-CA 3.36Å; Q313-H325 WeakPolarHBondContact CB-ND1 3.44Å
326	C	96.1	Very high	94.5	Very high	4 Å²	4	44.4 Å²	44.4	3%	0.027	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	154.6	165.6	72	0	0	0	0	110.1	F234 P237 Y239 V312	F234-C326 HydrophobicContact CB-CB 4.13Å; F234-C326 HydrophobicContact CD1-CB 4.18Å; F234-C326 HydrophobicContact CD2-CB 3.68Å; F234-C326 VanDerWaalsContact CE1-SG 3.5Å; F234-C326 HydrophobicContact CE2-CB 4.03Å; F234-C326 HydrophobicContact CG-CB 3.75Å; F234-C326 HydrophobicContact CZ-CB 4.42Å; F234-C326 VanDerWaalsContact CZ-SG 3.6Å; P237-C326 WeakPolarHBondContact O-CA 3.28Å; Y239-C326 HydrophobicContact CD2-CB 4.34Å; Y239-C326 HydrophobicContact CE2-CB 3.91Å; V312-C326 PolarHBondContact N-O 2.84Å; V312-C326 PolarHBondContact O-N 3.35Å
327	K	96.6	Very high	94.4	Very high	58 Å²	58	47.6 Å²	47.6	25%	0.252	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	124.7	178.7	-170.4	175.7	-164.4	-173.9	0	110.9	P237 V238 Y239 E309	P237-K327 PolarHBondContact O-N 2.77Å; V238-K327 CarbonylContact C-O 3.48Å; V238-K327 VanDerWaalsContact CA-O 3.29Å; V238-K327 WeakPolarHBondContact CA-O 3.46Å; V238-K327 HydrophobicContact CG1-CB 4.46Å; V238-K327 HydrophobicContact CG2-CB 4.37Å; Y239-K327 PolarHBondContact N-O 2.85Å; E309-K327 VanDerWaalsContact OE1-CE 3.29Å; E309-K327 WeakPolarHBondContact OE1-CE 3.48Å; E309-K327 IonicContact OE1-NZ 2.81Å; E309-K327 PolarHBondContact OE1-NZ 3.28Å; E309-K327 WeakPolarHBondContact OE2-CE 3.21Å; E309-K327 IonicContact OE2-NZ 3.64Å; E309-K327 PolarHBondContact OE2-NZ 3.35Å
328	V	97.4	Very high	94.4	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	111.7	171.3	-174.1	0	0	0	0	109	Y239 V241 I254 L256 I294 I310 V312 V330	Y239-V328 HydrophobicContact CD2-CG2 4.18Å; V241-V328 HydrophobicContact CG2-CG1 4.33Å; I254-V328 HydrophobicContact CG2-CG1 4.04Å; I254-V328 HydrophobicContact CG2-CG2 4.42Å; L256-V328 HydrophobicContact CD1-CG2 4.06Å; L256-V328 HydrophobicContact CD2-CG2 4.09Å; I294-V328 HydrophobicContact CD1-CG2 4.12Å; I310-V328 HydrophobicContact CB-CB 4.28Å; I310-V328 PolarHBondContact N-O 3.16Å; I310-V328 PolarHBondContact O-N 2.82Å; V312-V328 HydrophobicContact CG2-CG2 4.01Å; V328-V330 HydrophobicContact CG1-CG2 4.02Å
329	T	97.1	Very high	94.5	Very high	20 Å²	20	46.8 Å²	46.8	12%	0.123	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	108.6	172.7	-62.1	0	0	0	0	108.9	Y239 T240 V241 I307	Y239-T329 PolarHBondContact O-N 3.14Å; T240-T329 WeakPolarHBondContact CA-O 3.28Å; V241-T329 PolarHBondContact N-O 2.97Å; I307-T329 HydrophobicContact CG2-CG2 3.68Å
330	V	97.3	Very high	94.9	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	107.2	176.2	-173	0	0	0	0	108.6	V241 V243 V253 F285 I307 Y308 I310 V328	V241-V330 CarbonylContact O-C 3.44Å; V241-V330 WeakPolarHBondContact O-CA 3.5Å; V243-V330 HydrophobicContact CB-CG1 4.05Å; V243-V330 HydrophobicContact CG2-CG1 3.67Å; V253-V330 HydrophobicContact CG1-CG1 4.32Å; V253-V330 HydrophobicContact CG1-CG2 3.77Å; F285-V330 HydrophobicContact CE1-CG1 4.23Å; F285-V330 HydrophobicContact CZ-CB 4.26Å; F285-V330 HydrophobicContact CZ-CG1 3.92Å; F285-V330 HydrophobicContact CZ-CG2 4.39Å; I307-V330 WeakPolarHBondContact CA-O 3.16Å; Y308-V330 PolarHBondContact N-O 2.74Å; Y308-V330 PolarHBondContact O-N 3.07Å; I310-V330 HydrophobicContact CD1-CG2 3.86Å; I310-V330 HydrophobicContact CG1-CG2 4.48Å; V328-V330 HydrophobicContact CG1-CG2 4.02Å
331	N	96.9	Very high	95.1	Very high	39 Å²	39	39.5 Å²	39.5	21%	0.209	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	121.6	168.1	-55.3	-49.8	0	0	0	108.2	T240 V241 N242 V243	T240-N331 VanDerWaalsContact CG2-ND2 3.25Å; T240-N331 WeakPolarHBondContact CG2-ND2 3.45Å; V241-N331 PolarHBondContact O-N 2.81Å; N242-N331 WeakPolarHBondContact CA-O 3.18Å; N242-N331 PolarHBondContact OD1-ND2 2.69Å; V243-N331 PolarHBondContact N-O 3.39Å
332	V	96.5	Very high	95.2	Very high	4 Å²	4	40.2 Å²	40.2	2%	0.024	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	133.5	168.9	-175.9	0	0	0	0	107.9	V243 E245 Y302 T305 K306 Y308	V243-V332 CarbonylContact O-C 3.58Å; V243-V332 WeakPolarHBondContact O-CA 3.12Å; E245-V332 HydrophobicContact CB-CG1 3.5Å; Y302-V332 HydrophobicContact CD2-CB 4.09Å; Y302-V332 HydrophobicContact CD2-CG1 4.12Å; Y302-V332 WeakPolarHBondContact CD2-O 3.08Å; Y302-V332 VanDerWaalsContact CE2-O 3.23Å; Y302-V332 WeakPolarHBondContact CE2-O 3.12Å; T305-V332 WeakPolarHBondContact O-CG2 3.15Å; K306-V332 PolarHBondContact O-N 2.82Å; Y308-V332 HydrophobicContact CD2-CG2 3.8Å; Y308-V332 HydrophobicContact CE2-CG2 3.85Å
333	M	95.1	Very high	95.1	Very high	72 Å²	72	37.1 Å²	37.1	36%	0.355	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	120.6	179.9	-64	-59.9	-50.4	0	0	109.9	N242 V243 M244 E245	N242-M333 HydrophobicContact CB-CG 3.78Å; N242-M333 HydrophobicContact CB-SD 3.98Å; V243-M333 PolarHBondContact O-N 2.85Å; M244-M333 HydrophobicContact SD-CB 3.58Å; M244-M333 VanDerWaalsContact SD-CB 3.58Å; E245-M333 PolarHBondContact N-O 3.11Å
334	D	95.4	Very high	94.8	Very high	30 Å²	30	35.7 Å²	35.7	16%	0.16	20%	0.199	C	C	.	.	P	Polyproline II helix	trans	-47.6	125.6	172.3	-168.6	-37.3	0	0	0	113.2	Y302 S374 N377	Y302-D334 HydrophobicContact CD1-CB 3.65Å; Y302-D334 HydrophobicContact CE1-CB 3.47Å; Y302-D334 VanDerWaalsContact CE1-CB 3.47Å; Y302-D334 WeakPolarHBondContact CE1-OD2 3.19Å; Y302-D334 HydrophobicContact CE2-CB 4.41Å; Y302-D334 HydrophobicContact CG-CB 4.22Å; D334-S374 WeakPolarHBondContact OD2-CA 3.23Å; D334-S374 WeakPolarHBondContact OD2-CB 3.21Å; D334-S374 PolarHBondContact OD2-N 3.48Å; D334-N377 PolarHBondContact OD1-ND2 2.87Å
335	T	94.3	Very high	93.8	Very high	32 Å²	32	39.5 Å²	39.5	20%	0.196	22%	0.215	C	C	.	.			trans	-126.1	137.8	174.3	59.7	0	0	0	0	109.9	M244 E245 N246 D337	M244-T335 HydrophobicContact CB-CG2 4.03Å; M244-T335 HydrophobicContact CG-CG2 4.35Å; M244-T335 HydrophobicContact SD-CG2 3.84Å; E245-T335 VanDerWaalsContact CG-OG1 3.31Å; E245-T335 WeakPolarHBondContact CG-OG1 3.43Å; E245-T335 PolarHBondContact OE1-N 3.32Å; E245-T335 PolarHBondContact OE1-OG1 3.02Å; N246-T335 PolarHBondContact ND2-OG1 3.39Å; T335-D337 PolarHBondContact O-N 2.69Å
336	N	94.9	Very high	92.4	Very high	21 Å²	21	36 Å²	36	11%	0.112	20%	0.203	C	C	.	.	S	Bend	trans	-73.8	83.4	-169.8	-163.9	105.5	0	0	0	112.6	D373 N377 D423 G425 L429	N336-D373 WeakPolarHBondContact CA-OD2 2.97Å; N336-N377 HydrophobicContact CB-CB 3.92Å; N336-N377 PolarHBondContact N-ND2 2.86Å; N336-N377 WeakPolarHBondContact OD1-CA 3.49Å; N336-N377 WeakPolarHBondContact OD1-CB 3.2Å; N336-N377 PolarHBondContact OD1-O 2.78Å; N336-D423 PolarHBondContact ND2-OD2 2.92Å; N336-G425 VanDerWaalsContact OD1-CA 3.28Å; N336-G425 WeakPolarHBondContact OD1-CA 3.22Å; N336-L429 WeakPolarHBondContact ND2-CD1 3.16Å; N336-L429 WeakPolarHBondContact ND2-CG 3.31Å
337	D	93.9	Very high	90.7	Very high	72 Å²	72	44.3 Å²	44.3	39%	0.385	25%	0.246	S	C	.	.			trans	-119.7	-20.3	-172.8	94.8	2.3	0	0	0	115.3	N246 T335 D373	N246-D337 PolarHBondContact ND2-OD2 2.73Å; T335-D337 PolarHBondContact O-N 2.69Å; D337-D373 PolarHBondContact N-OD2 3.36Å; D337-D373 VanDerWaalsContact N-OD2 3.12Å
338	N	94.4	Very high	89.2	Confident	24 Å²	24	46.8 Å²	46.8	13%	0.128	26%	0.262	C	S	.	.	S	Bend	trans	-88	129.3	170.6	-62.1	-96.2	0	0	0	110.1	K372 D373	N338-K372 HydrophobicContact CB-CB 4.05Å; N338-K372 HydrophobicContact CB-CG 4.39Å; N338-K372 WeakPolarHBondContact OD1-CD 3.24Å; N338-K372 WeakPolarHBondContact OD1-CE 3.49Å; N338-K372 PolarHBondContact OD1-NZ 2.86Å; N338-D373 WeakPolarHBondContact CB-OD1 3.22Å; N338-D373 PolarHBondContact N-OD1 3.34Å; N338-D373 PolarHBondContact N-OD2 3.14Å; N338-D373 PolarHBondContact ND2-OD1 3.01Å
339	P	94.5	Very high	87.7	Confident	69 Å²	69	51.1 Å²	51.1	45%	0.448	29%	0.288	S	S	.	.	P	Polyproline II helix	trans	-82.6	145.5	172.6	31.7	-33.5	0	0	0	111.5	V341 L429	P339-V341 PolarHBondContact O-N 3.12Å; P339-L429 HydrophobicContact CB-CB 4.16Å; P339-L429 HydrophobicContact CB-CD1 4.29Å
340	P	95.8	Very high	86.6	Confident	2 Å²	2	55.9 Å²	55.9	1%	0.013	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-62.5	127	-174.3	19.9	-32.7	0	0	0	113.7	V369 D371 V380 A421 A431	P340-V369 HydrophobicContact CB-CG1 4.03Å; P340-D371 WeakPolarHBondContact CA-OD2 3.4Å; P340-D371 VanDerWaalsContact CB-OD2 3.27Å; P340-D371 WeakPolarHBondContact CB-OD2 3.44Å; P340-D371 WeakPolarHBondContact CD-OD2 3.27Å; P340-V380 HydrophobicContact CB-CB 4.37Å; P340-V380 HydrophobicContact CB-CG1 3.62Å; P340-V380 HydrophobicContact CB-CG2 3.75Å; P340-V380 HydrophobicContact CG-CG1 4.08Å; P340-A421 HydrophobicContact CB-CB 3.97Å; P340-A421 HydrophobicContact CG-CB 3.96Å; P340-A431 HydrophobicContact CG-CB 4.45Å; P340-A431 WeakPolarHBondContact O-CB 3.33Å
341	V	93.9	Very high	86.1	Confident	86 Å²	86	59.4 Å²	59.4	52%	0.521	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	118.3	-176.6	-177	0	0	0	0	111.2	P339 V369 S370	P339-V341 PolarHBondContact O-N 3.12Å; V341-V369 WeakPolarHBondContact O-CA 3.25Å; V341-S370 WeakPolarHBondContact CB-O 3.43Å; V341-S370 PolarHBondContact N-O 3.39Å; V341-S370 PolarHBondContact O-N 2.94Å
342	I	92.6	Very high	85.8	Confident	23 Å²	23	58.1 Å²	58.1	12%	0.118	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	119	177.5	-53.3	172	0	0	0	110.5	V367 V369 I419 A421 A431 K433	I342-V367 HydrophobicContact CG2-CG1 3.92Å; I342-V369 HydrophobicContact CB-CG2 4.38Å; I342-V369 HydrophobicContact CG1-CG1 4.31Å; I342-V369 HydrophobicContact CG1-CG2 4.04Å; I342-V369 HydrophobicContact CG2-CG2 4.23Å; I342-I419 HydrophobicContact CD1-CG2 4.24Å; I342-I419 HydrophobicContact CG2-CG2 4.5Å; I342-A421 HydrophobicContact CD1-CB 3.72Å; I342-A421 HydrophobicContact CG1-CB 3.67Å; I342-A431 HydrophobicContact CD1-CB 4.37Å; I342-A431 HydrophobicContact CG1-CB 4.49Å; I342-K433 HydrophobicContact CB-CB 4.03Å; I342-K433 HydrophobicContact CD1-CB 4.13Å; I342-K433 HydrophobicContact CG2-CB 3.9Å
343	S	89.8	Confident	85.5	Confident	46 Å²	46	63 Å²	63	32%	0.322	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	142.3	172.5	68.2	0	0	0	0	112	R368	S343-R368 WeakPolarHBondContact CA-O 3.42Å; S343-R368 PolarHBondContact N-O 3.2Å; S343-R368 PolarHBondContact O-N 3.27Å; S343-R368 PolarHBondContact OG-O 2.9Å
344	L	87.2	Confident	85.5	Confident	20 Å²	20	59.7 Å²	59.7	11%	0.105	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	115.5	-179.1	-73.5	172.3	0	0	0	110	S346 T349 V367 I419 K433 L435	L344-S346 PolarHBondContact O-N 2.76Å; L344-T349 WeakPolarHBondContact CD1-O 3.17Å; L344-V367 HydrophobicContact CD2-CG2 3.93Å; L344-I419 HydrophobicContact CD2-CD1 3.76Å; L344-K433 HydrophobicContact CD1-CG 3.82Å; L344-K433 HydrophobicContact CG-CG 4.42Å; L344-L435 HydrophobicContact CD1-CB 4.28Å; L344-L435 HydrophobicContact CD1-CD1 4.47Å
345	L	75.1	Confident	85.4	Confident	105 Å²	105	59.6 Å²	59.6	55%	0.55	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	67.8	179	-66	171.5	0	0	0	109.3	L366 R368	L345-L366 HydrophobicContact CB-CB 4.06Å; L345-L366 HydrophobicContact CB-CD2 3.95Å; L345-L366 HydrophobicContact CB-CG 4.12Å; L345-L366 HydrophobicContact CD1-CD2 3.75Å; L345-L366 HydrophobicContact CD1-CG 4.2Å; L345-L366 PolarHBondContact N-O 2.83Å; L345-R368 HydrophobicContact CD1-CB 4.39Å
346	S	65.9	Low	85.4	Confident	30 Å²	30	58.9 Å²	58.9	21%	0.21	32%	0.323	C	S	.	.	S	Bend	trans	-117.5	153.9	177	172.3	0	0	0	0	110.2	L344 N348 V352	L344-S346 PolarHBondContact O-N 2.76Å; S346-N348 WeakPolarHBondContact CB-O 3.25Å; S346-N348 PolarHBondContact O-N 3.26Å; S346-N348 PolarHBondContact OG-N 3.46Å; S346-N348 PolarHBondContact OG-O 3.3Å; S346-V352 VanDerWaalsContact OG-CG2 3.23Å; S346-V352 WeakPolarHBondContact OG-CG2 3.47Å
347	L	60.8	Low	85.3	Confident	178 Å²	178	62.3 Å²	62.3	93%	0.932	34%	0.341	S	S	*	.	S	Bend	trans	-54.5	-40.1	175.9	-72.6	165.3	0	0	0	112.2
348	N	64.8	Low	85.3	Confident	110 Å²	110	59.6 Å²	59.6	59%	0.588	33%	0.328	S	S	*	.	S	Bend	trans	-117.4	127.1	167.5	-67	-26.5	0	0	0	107.7	S346 E350 M351	S346-N348 WeakPolarHBondContact CB-O 3.25Å; S346-N348 PolarHBondContact O-N 3.26Å; S346-N348 PolarHBondContact OG-N 3.46Å; S346-N348 PolarHBondContact OG-O 3.3Å; N348-E350 VanDerWaalsContact C-N 3.29Å; N348-E350 PolarHBondContact O-N 3.43Å; N348-M351 WeakPolarHBondContact CB-O 3.21Å
349	T	64.8	Low	85.2	Confident	91 Å²	91	66.2 Å²	66.2	56%	0.558	36%	0.359	S	S	*	.	S	Bend	trans	-73.8	-13.2	-167.5	43.4	0	0	0	0	115.3	L344	L344-T349 WeakPolarHBondContact CD1-O 3.17Å
350	E	75.8	Confident	85.1	Confident	120 Å²	120	71.5 Å²	71.5	56%	0.561	37%	0.369	S	S	*	.	S	Bend	trans	-124.1	-11.6	-176.7	-50.3	-151.2	124.6	0	0	114	N348 K433 V436	N348-E350 VanDerWaalsContact C-N 3.29Å; N348-E350 PolarHBondContact O-N 3.43Å; E350-K433 IonicContact OE1-NZ 2.98Å; E350-K433 PolarHBondContact OE1-NZ 2.79Å; E350-V436 PolarHBondContact O-N 3.01Å
351	M	85	Confident	84.9	Confident	73 Å²	73	73.2 Å²	73.2	36%	0.36	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	135.2	-173.9	-174.5	178.6	175.9	0	0	111.2	N348 E353 V436 K438	N348-M351 WeakPolarHBondContact CB-O 3.21Å; M351-E353 HydrophobicContact CE-CG 4.4Å; M351-V436 CarbonylContact C-O 3.32Å; M351-V436 VanDerWaalsContact CA-O 3.26Å; M351-V436 WeakPolarHBondContact CA-O 3.42Å; M351-K438 HydrophobicContact CE-CB 3.68Å; M351-K438 HydrophobicContact CE-CD 3.42Å; M351-K438 VanDerWaalsContact CE-CD 3.42Å; M351-K438 HydrophobicContact CE-CG 4.19Å
352	V	90.6	Very high	84.9	Confident	13 Å²	13	75.1 Å²	75.1	8%	0.079	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	143.2	173.6	166.4	0	0	0	0	109.7	S346 I364 L435 V436 V437 K438	S346-V352 VanDerWaalsContact OG-CG2 3.23Å; S346-V352 WeakPolarHBondContact OG-CG2 3.47Å; V352-I364 HydrophobicContact CG1-CB 3.97Å; V352-I364 WeakPolarHBondContact CG1-O 3.17Å; V352-L435 HydrophobicContact CB-CD1 4.44Å; V352-L435 HydrophobicContact CG2-CD1 3.98Å; V352-V436 PolarHBondContact N-O 3.17Å; V352-V437 CarbonylContact O-C 3.53Å; V352-V437 WeakPolarHBondContact O-CA 3.17Å; V352-K438 PolarHBondContact O-N 3.38Å
353	E	91.4	Very high	84.9	Confident	107 Å²	107	77.4 Å²	77.4	50%	0.5	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	138.9	173.8	-66.4	-165.3	136	0	0	110.4	M351 K438 T440	M351-E353 HydrophobicContact CE-CG 4.4Å; E353-K438 CarbonylContact C-O 3.56Å; E353-K438 WeakPolarHBondContact CA-O 3.11Å; E353-K438 HydrophobicContact CG-CB 4.45Å; E353-K438 HydrophobicContact CG-CD 4.44Å; E353-K438 WeakPolarHBondContact OE1-CD 2.99Å; E353-K438 WeakPolarHBondContact OE1-CE 3.35Å; E353-K438 IonicContact OE1-NZ 2.84Å; E353-K438 PolarHBondContact OE1-NZ 2.7Å; E353-T440 HydrophobicContact CB-CG2 3.75Å; E353-T440 HydrophobicContact CG-CG2 4.28Å
354	V	93.7	Very high	84.9	Confident	2 Å²	2	76 Å²	76	1%	0.012	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	130.4	-178.8	61.1	0	0	0	0	111	A358 Y362 I364 V403 L407 V437 K438 V439 T440	V354-A358 HydrophobicContact CG2-CB 3.67Å; V354-Y362 HydrophobicContact CG2-CD1 3.97Å; V354-Y362 HydrophobicContact CG2-CE1 4.01Å; V354-I364 HydrophobicContact CB-CG2 3.97Å; V354-I364 HydrophobicContact CG2-CG2 3.69Å; V354-V403 HydrophobicContact CG2-CG2 4.18Å; V354-L407 HydrophobicContact CG1-CD1 3.74Å; V354-L407 HydrophobicContact CG2-CD1 3.96Å; V354-V437 HydrophobicContact CG1-CG1 3.46Å; V354-V437 VanDerWaalsContact CG1-CG1 3.46Å; V354-K438 PolarHBondContact N-O 2.57Å; V354-V439 CarbonylContact O-C 3.51Å; V354-V439 VanDerWaalsContact O-CA 3.25Å; V354-V439 WeakPolarHBondContact O-CA 3.28Å; V354-T440 PolarHBondContact O-N 2.8Å; V354-T440 PolarHBondContact O-OG1 2.74Å
355	S	93.9	Very high	85	Confident	27 Å²	27	75.3 Å²	75.3	19%	0.189	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	141.9	174	163.9	0	0	0	0	111.6	N357 A358 T440 E442	S355-N357 VanDerWaalsContact C-N 3.25Å; S355-N357 PolarHBondContact O-N 3.14Å; S355-N357 PolarHBondContact OG-N 2.88Å; S355-N357 VanDerWaalsContact OG-N 3.17Å; S355-A358 WeakPolarHBondContact O-CB 3.49Å; S355-A358 PolarHBondContact O-N 2.77Å; S355-T440 VanDerWaalsContact CA-OG1 3.25Å; S355-T440 WeakPolarHBondContact CA-OG1 3.28Å; S355-T440 PolarHBondContact N-OG1 2.71Å; S355-E442 WeakPolarHBondContact CB-OE1 2.92Å; S355-E442 WeakPolarHBondContact OG-CG 3.03Å; S355-E442 PolarHBondContact OG-OE1 2.87Å
356	E	94.8	Very high	85.8	Confident	18 Å²	18	73 Å²	73	8%	0.084	38%	0.375	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-27.6	173.2	59.1	-152.7	123.6	0	0	113.9	A358 L407 R409 V439 T440 D441 E442	E356-A358 PolarHBondContact O-N 3.14Å; E356-A358 VanDerWaalsContact O-N 3.14Å; E356-L407 HydrophobicContact CB-CB 4.13Å; E356-R409 WeakPolarHBondContact OE2-CB 3.45Å; E356-R409 PolarHBondContact OE2-N 2.76Å; E356-V439 HydrophobicContact CB-CG1 3.64Å; E356-T440 PolarHBondContact N-O 2.78Å; E356-D441 VanDerWaalsContact OE1-CA 3.28Å; E356-D441 WeakPolarHBondContact OE1-CA 3.25Å; E356-E442 HydrophobicContact CG-CB 3.98Å; E356-E442 HydrophobicContact CG-CG 3.85Å; E356-E442 PolarHBondContact OE1-N 2.95Å
357	N	91.9	Very high	87	Confident	93 Å²	93	71.6 Å²	71.6	50%	0.497	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	0.6	168.4	-84.9	-43.3	0	0	0	113.4	S355 Q359 E442	S355-N357 VanDerWaalsContact C-N 3.25Å; S355-N357 PolarHBondContact O-N 3.14Å; S355-N357 PolarHBondContact OG-N 2.88Å; S355-N357 VanDerWaalsContact OG-N 3.17Å; N357-Q359 PolarHBondContact O-N 2.66Å; N357-E442 HydrophobicContact CB-CG 4.05Å; N357-E442 WeakPolarHBondContact ND2-CB 3.37Å; N357-E442 WeakPolarHBondContact ND2-CG 3.29Å; N357-E442 PolarHBondContact ND2-OE2 3.31Å
358	A	94.2	Very high	88.5	Confident	15 Å²	15	69.9 Å²	69.9	12%	0.124	35%	0.346	C	S	.	.	P	Polyproline II helix	trans	-58.9	118.8	176	0	0	0	0	0	112.1	V354 S355 E356 Y362 V403	V354-A358 HydrophobicContact CG2-CB 3.67Å; S355-A358 WeakPolarHBondContact O-CB 3.49Å; S355-A358 PolarHBondContact O-N 2.77Å; E356-A358 PolarHBondContact O-N 3.14Å; E356-A358 VanDerWaalsContact O-N 3.14Å; A358-Y362 HydrophobicContact CB-CD1 4.09Å; A358-Y362 HydrophobicContact CB-CG 4.04Å; A358-V403 HydrophobicContact CB-CG2 4.2Å
359	Q	92.9	Very high	89.8	Confident	163 Å²	163	66.1 Å²	66.1	76%	0.762	33%	0.327	S	S	*	.	P	Polyproline II helix	trans	-71.4	153.1	-179.6	-61	-174	11.2	0	0	111.9	N357 G361 Y362	N357-Q359 PolarHBondContact O-N 2.66Å; Q359-G361 PolarHBondContact O-N 3.06Å; Q359-Y362 WeakPolarHBondContact O-CB 3.28Å; Q359-Y362 PolarHBondContact O-N 3.2Å
360	R	92.6	Very high	91.1	Very high	179 Å²	179	64.7 Å²	64.7	68%	0.675	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	127.7	172.6	-69	179.6	174	-173.6	-12.9	110.8	V403 D404 G405	R360-V403 CarbonylContact C-O 3.39Å; R360-V403 VanDerWaalsContact CA-O 3.31Å; R360-V403 WeakPolarHBondContact CA-O 3.5Å; R360-D404 WeakPolarHBondContact CD-O 3.49Å; R360-D404 PolarHBondContact NE-O 2.82Å; R360-G405 VanDerWaalsContact CG-O 3.29Å; R360-G405 WeakPolarHBondContact CG-O 3.32Å; R360-G405 PolarHBondContact NE-O 2.72Å
361	G	91.9	Very high	92.1	Very high	38 Å²	38	60.4 Å²	60.4	39%	0.392	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	100.9	-11.2	-170.2	0	0	0	0	0	114.5	Q359 V363 V403	Q359-G361 PolarHBondContact O-N 3.06Å; G361-V363 PolarHBondContact O-N 3.28Å; G361-V403 PolarHBondContact N-O 2.81Å
362	Y	92.9	Very high	92.5	Very high	126 Å²	126	63.2 Å²	63.2	49%	0.494	31%	0.312	S	S	.	.			trans	-64.1	120.8	175.6	-173.4	-91.5	0	0	0	110.7	V354 A358 Q359 I364 L402 V403	V354-Y362 HydrophobicContact CG2-CD1 3.97Å; V354-Y362 HydrophobicContact CG2-CE1 4.01Å; A358-Y362 HydrophobicContact CB-CD1 4.09Å; A358-Y362 HydrophobicContact CB-CG 4.04Å; Q359-Y362 WeakPolarHBondContact O-CB 3.28Å; Q359-Y362 PolarHBondContact O-N 3.2Å; Y362-I364 HydrophobicContact CD1-CG2 3.77Å; Y362-I364 HydrophobicContact CE1-CG2 4.01Å; Y362-L402 CarbonylContact O-C 3.58Å; Y362-L402 WeakPolarHBondContact O-CA 3.45Å; Y362-L402 VanDerWaalsContact O-CB 3.31Å; Y362-L402 WeakPolarHBondContact O-CB 3.32Å; Y362-V403 HydrophobicContact CD1-CG2 4.48Å; Y362-V403 PolarHBondContact O-N 2.98Å
363	V	92	Very high	92.8	Very high	71 Å²	71	63.1 Å²	63.1	43%	0.43	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	126.9	-178.7	173.5	0	0	0	0	109.7	G361 T400 L402	G361-V363 PolarHBondContact O-N 3.28Å; V363-T400 HydrophobicContact CG1-CG2 4.03Å; V363-L402 HydrophobicContact CG2-CB 4.2Å
364	I	91	Very high	92.8	Very high	18 Å²	18	59.8 Å²	59.8	9%	0.092	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	-29.3	-178.2	61.8	161.1	0	0	0	113	V352 V354 Y362 F390 I401 V403 L417 V437	V352-I364 HydrophobicContact CG1-CB 3.97Å; V352-I364 WeakPolarHBondContact CG1-O 3.17Å; V354-I364 HydrophobicContact CB-CG2 3.97Å; V354-I364 HydrophobicContact CG2-CG2 3.69Å; Y362-I364 HydrophobicContact CD1-CG2 3.77Å; Y362-I364 HydrophobicContact CE1-CG2 4.01Å; I364-F390 HydrophobicContact CD1-CD1 3.68Å; I364-F390 HydrophobicContact CD1-CE1 3.72Å; I364-I401 HydrophobicContact CD1-CG2 3.78Å; I364-I401 HydrophobicContact CG1-CB 4.05Å; I364-I401 HydrophobicContact CG1-CG2 3.76Å; I364-I401 WeakPolarHBondContact CG1-O 3.42Å; I364-I401 PolarHBondContact N-O 2.85Å; I364-V403 HydrophobicContact CG2-CG2 4.13Å; I364-L417 HydrophobicContact CD1-CD1 4.18Å; I364-V437 HydrophobicContact CD1-CB 4.48Å; I364-V437 HydrophobicContact CD1-CG1 4.02Å; I364-V437 HydrophobicContact CD1-CG2 3.62Å
365	A	90	Very high	92.7	Very high	5 Å²	5	63.3 Å²	63.3	4%	0.041	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	148.6	-180	0	0	0	0	0	112.3	T400 I401 L435	A365-T400 WeakPolarHBondContact O-CA 3.38Å; A365-I401 HydrophobicContact CB-CB 4.39Å; A365-I401 HydrophobicContact CB-CD1 4.41Å; A365-I401 PolarHBondContact N-O 2.87Å; A365-I401 PolarHBondContact O-N 2.68Å; A365-L435 HydrophobicContact CB-CD2 3.78Å
366	L	90.8	Very high	92.6	Very high	56 Å²	56	64.8 Å²	64.8	29%	0.293	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	121.7	170.5	179.4	64.4	0	0	0	109	L345 F398 T400	L345-L366 HydrophobicContact CB-CB 4.06Å; L345-L366 HydrophobicContact CB-CD2 3.95Å; L345-L366 HydrophobicContact CB-CG 4.12Å; L345-L366 HydrophobicContact CD1-CD2 3.75Å; L345-L366 HydrophobicContact CD1-CG 4.2Å; L345-L366 PolarHBondContact N-O 2.83Å; L366-F398 HydrophobicContact CD1-CB 3.87Å; L366-F398 HydrophobicContact CD1-CD2 3.35Å; L366-F398 HydrophobicContact CD1-CE2 4.01Å; L366-F398 HydrophobicContact CD1-CG 3.72Å; L366-T400 HydrophobicContact CD1-CG2 4.06Å
367	V	91.8	Very high	92.4	Very high	0 Å²	0	65.4 Å²	65.4	0%	0	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	123.2	179.6	-173.5	0	0	0	0	108	I342 L344 V369 L392 S399 I401 I419	I342-V367 HydrophobicContact CG2-CG1 3.92Å; L344-V367 HydrophobicContact CD2-CG2 3.93Å; V367-V369 HydrophobicContact CG1-CG2 4Å; V367-L392 HydrophobicContact CG2-CD1 4.21Å; V367-S399 PolarHBondContact N-O 2.92Å; V367-S399 PolarHBondContact O-N 2.83Å; V367-S399 VanDerWaalsContact O-O 3.05Å; V367-I401 HydrophobicContact CG2-CD1 3.67Å; V367-I401 HydrophobicContact CG2-CG1 3.73Å; V367-I419 HydrophobicContact CG1-CD1 4.34Å; V367-I419 HydrophobicContact CG1-CG2 4.38Å; V367-I419 HydrophobicContact CG2-CD1 3.92Å
368	R	92.1	Very high	92.4	Very high	142 Å²	142	62 Å²	62	54%	0.536	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	121.5	171.1	-174.6	-178.6	-168.8	-169.6	1.4	108.4	S343 L345	S343-R368 WeakPolarHBondContact CA-O 3.42Å; S343-R368 PolarHBondContact N-O 3.2Å; S343-R368 PolarHBondContact O-N 3.27Å; S343-R368 PolarHBondContact OG-O 2.9Å; L345-R368 HydrophobicContact CD1-CB 4.39Å
369	V	92.5	Very high	92.3	Very high	31 Å²	31	67.9 Å²	67.9	19%	0.188	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	135.4	176.6	-171.5	0	0	0	0	108.2	P340 V341 I342 V367 V380 C382 A421	P340-V369 HydrophobicContact CB-CG1 4.03Å; V341-V369 WeakPolarHBondContact O-CA 3.25Å; I342-V369 HydrophobicContact CB-CG2 4.38Å; I342-V369 HydrophobicContact CG1-CG1 4.31Å; I342-V369 HydrophobicContact CG1-CG2 4.04Å; I342-V369 HydrophobicContact CG2-CG2 4.23Å; V367-V369 HydrophobicContact CG1-CG2 4Å; V369-V380 HydrophobicContact CG1-CB 4.3Å; V369-V380 HydrophobicContact CG1-CG1 3.84Å; V369-V380 HydrophobicContact CG1-CG2 4.32Å; V369-C382 WeakPolarHBondContact CG2-SG 3.48Å; V369-A421 HydrophobicContact CG1-CB 3.84Å
370	S	92.1	Very high	92.3	Very high	61 Å²	61	62 Å²	62	43%	0.427	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	124.8	178.5	52.9	0	0	0	0	108.6	V341	V341-S370 WeakPolarHBondContact CB-O 3.43Å; V341-S370 PolarHBondContact N-O 3.39Å; V341-S370 PolarHBondContact O-N 2.94Å
371	D	95.1	Very high	92.2	Very high	31 Å²	31	59.7 Å²	59.7	17%	0.166	33%	0.333	C	S	.	.			trans	-90.8	168	159.9	-131.8	-55.3	0	0	0	110.9	P340 V380	P340-D371 WeakPolarHBondContact CA-OD2 3.4Å; P340-D371 VanDerWaalsContact CB-OD2 3.27Å; P340-D371 WeakPolarHBondContact CB-OD2 3.44Å; P340-D371 WeakPolarHBondContact CD-OD2 3.27Å; D371-V380 HydrophobicContact CB-CG2 3.8Å
372	K	94.6	Very high	92.3	Very high	132 Å²	132	58.6 Å²	58.6	57%	0.574	32%	0.32	S	S	*	.	S	Bend	trans	-99.7	-37.3	168.8	-62.6	-160.1	-153	136.8	0	112.7	E303 N338	E303-K372 HydrophobicContact CG-CB 3.67Å; E303-K372 HydrophobicContact CG-CD 4.17Å; N338-K372 HydrophobicContact CB-CB 4.05Å; N338-K372 HydrophobicContact CB-CG 4.39Å; N338-K372 WeakPolarHBondContact OD1-CD 3.24Å; N338-K372 WeakPolarHBondContact OD1-CE 3.49Å; N338-K372 PolarHBondContact OD1-NZ 2.86Å
373	D	96	Very high	92.3	Very high	10 Å²	10	55 Å²	55	5%	0.053	31%	0.311	C	S	.	.	S	Bend	trans	-55.5	163.7	178.4	-59.1	2.7	0	0	0	110.2	N336 D337 N338 N377 G378	N336-D373 WeakPolarHBondContact CA-OD2 2.97Å; D337-D373 PolarHBondContact N-OD2 3.36Å; D337-D373 VanDerWaalsContact N-OD2 3.12Å; N338-D373 WeakPolarHBondContact CB-OD1 3.22Å; N338-D373 PolarHBondContact N-OD1 3.34Å; N338-D373 PolarHBondContact N-OD2 3.14Å; N338-D373 PolarHBondContact ND2-OD1 3.01Å; D373-N377 HydrophobicContact CB-CB 3.68Å; D373-G378 VanDerWaalsContact O-CA 3.25Å; D373-G378 WeakPolarHBondContact O-CA 3.34Å
374	S	92.9	Very high	92.4	Very high	38 Å²	38	53.2 Å²	53.2	27%	0.266	30%	0.299	S	S	.	.			trans	-115.7	176.7	-175.7	-52.1	0	0	0	0	112.9	K306 D334 A376 N377 G378	K306-S374 PolarHBondContact NZ-OG 3.27Å; D334-S374 WeakPolarHBondContact OD2-CA 3.23Å; D334-S374 WeakPolarHBondContact OD2-CB 3.21Å; D334-S374 PolarHBondContact OD2-N 3.48Å; S374-A376 PolarHBondContact O-N 2.83Å; S374-N377 PolarHBondContact O-N 3.06Å; S374-G378 PolarHBondContact O-N 2.99Å
375	G	90.9	Very high	92.4	Very high	76 Å²	76	56.1 Å²	56.1	78%	0.784	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.8	-109.6	171.7	0	0	0	0	0	114.6
376	A	90.6	Very high	92.3	Very high	58 Å²	58	59.2 Å²	59.2	48%	0.479	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.5	-30.7	176.5	0	0	0	0	0	112.5	S374 K379 S424	S374-A376 PolarHBondContact O-N 2.83Å; A376-K379 WeakPolarHBondContact O-CB 3.32Å; A376-K379 PolarHBondContact O-N 2.91Å; A376-S424 CarbonylContact O-C 3.53Å; A376-S424 WeakPolarHBondContact O-CB 3.39Å
377	N	92.5	Very high	92.1	Very high	30 Å²	30	64.8 Å²	64.8	16%	0.16	38%	0.375	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-58.7	-178.4	-65.3	-7.8	0	0	0	108.6	D334 N336 D373 S374 K379 D423	D334-N377 PolarHBondContact OD1-ND2 2.87Å; N336-N377 HydrophobicContact CB-CB 3.92Å; N336-N377 PolarHBondContact N-ND2 2.86Å; N336-N377 WeakPolarHBondContact OD1-CA 3.49Å; N336-N377 WeakPolarHBondContact OD1-CB 3.2Å; N336-N377 PolarHBondContact OD1-O 2.78Å; D373-N377 HydrophobicContact CB-CB 3.68Å; S374-N377 PolarHBondContact O-N 3.06Å; N377-K379 PolarHBondContact O-N 3Å; N377-D423 WeakPolarHBondContact O-CB 3.47Å
378	G	91.4	Very high	92	Very high	21 Å²	21	66.6 Å²	66.6	22%	0.216	39%	0.385	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	10.3	175.3	0	0	0	0	0	117	D373 S374 V380	D373-G378 VanDerWaalsContact O-CA 3.25Å; D373-G378 WeakPolarHBondContact O-CA 3.34Å; S374-G378 PolarHBondContact O-N 2.99Å; G378-V380 PolarHBondContact O-N 2.88Å
379	K	91.9	Very high	92.1	Very high	140 Å²	140	61.1 Å²	61.1	61%	0.609	37%	0.368	S	S	*	.			trans	-90.5	89.7	-179.7	-169.3	179.3	179	176.5	0	111.5	A376 N377 D423 S424	A376-K379 WeakPolarHBondContact O-CB 3.32Å; A376-K379 PolarHBondContact O-N 2.91Å; N377-K379 PolarHBondContact O-N 3Å; K379-D423 CarbonylContact O-C 3.55Å; K379-S424 WeakPolarHBondContact O-CB 3.23Å; K379-S424 PolarHBondContact O-N 3.27Å; K379-S424 VanDerWaalsContact O-N 3.11Å; K379-S424 PolarHBondContact O-OG 2.8Å
380	V	92.6	Very high	92.2	Very high	38 Å²	38	60.1 Å²	60.1	23%	0.23	36%	0.361	C	S	.	.			trans	-81.1	141.2	-177.6	-157.8	0	0	0	0	113.3	P340 V369 D371 G378 A421	P340-V380 HydrophobicContact CB-CB 4.37Å; P340-V380 HydrophobicContact CB-CG1 3.62Å; P340-V380 HydrophobicContact CB-CG2 3.75Å; P340-V380 HydrophobicContact CG-CG1 4.08Å; V369-V380 HydrophobicContact CG1-CB 4.3Å; V369-V380 HydrophobicContact CG1-CG1 3.84Å; V369-V380 HydrophobicContact CG1-CG2 4.32Å; D371-V380 HydrophobicContact CB-CG2 3.8Å; G378-V380 PolarHBondContact O-N 2.88Å; V380-A421 HydrophobicContact CG1-CB 3.76Å
381	K	91.6	Very high	92.3	Very high	131 Å²	131	62 Å²	62	57%	0.57	36%	0.359	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.9	137.4	166.3	-178.9	-177.3	176.9	-173.6	0	109.9	E422	K381-E422 PolarHBondContact N-O 2.96Å; K381-E422 PolarHBondContact O-N 2.91Å
382	C	92.6	Very high	92.3	Very high	15 Å²	15	62 Å²	62	10%	0.101	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	141.5	-178	-62.1	0	0	0	0	111.7	V369 L392 E394	V369-C382 WeakPolarHBondContact CG2-SG 3.48Å; C382-L392 HydrophobicContact CB-CD2 3.33Å; C382-E394 PolarHBondContact N-OE1 2.83Å; C382-E394 VanDerWaalsContact N-OE1 3.14Å
383	T	92.8	Very high	92.1	Very high	50 Å²	50	58.9 Å²	58.9	31%	0.307	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	152.6	178.3	57.9	0	0	0	0	111.3	Q420	T383-Q420 PolarHBondContact N-O 3.07Å; T383-Q420 PolarHBondContact O-N 2.8Å; T383-Q420 PolarHBondContact OG1-O 2.94Å
384	L	93.8	Very high	91.9	Very high	34 Å²	34	63.5 Å²	63.5	18%	0.178	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	123.8	171.5	-167.3	66.1	0	0	0	108.2	V388 F390 L417 I419	L384-V388 HydrophobicContact CD2-CG2 3.66Å; L384-V388 HydrophobicContact CG-CG2 4.16Å; L384-F390 HydrophobicContact CD2-CB 4.07Å; L384-F390 WeakPolarHBondContact CD2-O 3.46Å; L384-L417 HydrophobicContact CD1-CB 4.18Å; L384-I419 HydrophobicContact CD1-CG1 4.22Å
385	Q	92.7	Very high	91.7	Very high	79 Å²	79	67.4 Å²	67.4	37%	0.369	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	147.7	-179.3	-66.1	-172.4	-14.2	0	0	112.1	T418 Q420	Q385-T418 PolarHBondContact N-O 3.3Å; Q385-Q420 HydrophobicContact CG-CB 4.07Å
386	G	86.1	Confident	91.3	Very high	70 Å²	70	73.7 Å²	73.7	72%	0.722	39%	0.386	S	S	*	.	S	Bend	trans	87.3	173.4	175.1	0	0	0	0	0	114.4
387	N	87.1	Confident	90.8	Very high	174 Å²	174	74.8 Å²	74.8	93%	0.93	39%	0.391	S	S	*	.	S	Bend	trans	-96.6	97.7	175.4	-176.6	29.9	0	0	0	109
388	V	91.1	Very high	90.7	Very high	37 Å²	37	77.1 Å²	77.1	22%	0.224	40%	0.399	C	S	.	.			trans	-133.3	151.5	-171.9	-67	0	0	0	0	110.4	L384 F390 L417	L384-V388 HydrophobicContact CD2-CG2 3.66Å; L384-V388 HydrophobicContact CG-CG2 4.16Å; V388-F390 HydrophobicContact CB-CD2 4.26Å; V388-F390 PolarHBondContact O-N 2.82Å; V388-L417 HydrophobicContact CB-CD2 3.98Å; V388-L417 HydrophobicContact CG1-CD2 3.99Å; V388-L417 HydrophobicContact CG2-CD2 4Å
389	P	93.9	Very high	90.7	Very high	27 Å²	27	76.6 Å²	76.6	18%	0.175	39%	0.392	C	S	.	.	S	Bend	trans	-76.5	26.9	-176.2	32.2	-36	0	0	0	114.1	D404 G405 L407 F415	P389-D404 PolarHBondContact O-N 3.44Å; P389-G405 PolarHBondContact O-N 2.82Å; P389-L407 HydrophobicContact CB-CD2 4.16Å; P389-L407 HydrophobicContact CG-CD2 3.67Å; P389-F415 VanDerWaalsContact CD-CE1 3.41Å; P389-F415 HydrophobicContact CG-CD1 4.12Å; P389-F415 HydrophobicContact CG-CE1 3.57Å; P389-F415 HydrophobicContact CG-CZ 3.82Å
390	F	94.8	Very high	90.7	Very high	10 Å²	10	70.4 Å²	70.4	4%	0.044	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	152.1	-177.3	-52.5	-89.2	0	0	0	109.4	I364 L384 V388 I401 L402 V403 L407 F415 L417 V437	I364-F390 HydrophobicContact CD1-CD1 3.68Å; I364-F390 HydrophobicContact CD1-CE1 3.72Å; L384-F390 HydrophobicContact CD2-CB 4.07Å; L384-F390 WeakPolarHBondContact CD2-O 3.46Å; V388-F390 HydrophobicContact CB-CD2 4.26Å; V388-F390 PolarHBondContact O-N 2.82Å; F390-I401 HydrophobicContact CB-CG2 4.16Å; F390-L402 CarbonylContact C-O 3.59Å; F390-L402 VanDerWaalsContact CA-O 3.23Å; F390-L402 WeakPolarHBondContact CA-O 3.23Å; F390-V403 HydrophobicContact CD1-CG2 4.17Å; F390-V403 HydrophobicContact CE1-CG2 4.02Å; F390-L407 HydrophobicContact CE1-CD1 4.26Å; F390-L407 HydrophobicContact CE1-CD2 4.2Å; F390-L407 HydrophobicContact CE2-CD2 4.3Å; F390-L407 HydrophobicContact CZ-CD1 4.31Å; F390-L407 HydrophobicContact CZ-CD2 3.72Å; F390-F415 HydrophobicContact CE2-CB 3.92Å; F390-F415 HydrophobicContact CE2-CD1 4.1Å; F390-F415 HydrophobicContact CE2-CD2 4.16Å; F390-F415 AromaticContact CE2-CG 3.81Å; F390-F415 HydrophobicContact CE2-CG 3.81Å; F390-F415 HydrophobicContact CZ-CD2 4.41Å; F390-F415 HydrophobicContact CZ-CG 4.47Å; F390-L417 HydrophobicContact CB-CD1 4.3Å; F390-L417 HydrophobicContact CD2-CD1 3.96Å; F390-L417 HydrophobicContact CD2-CD2 3.66Å; F390-L417 HydrophobicContact CD2-CG 4.4Å; F390-L417 HydrophobicContact CE2-CD1 4.42Å; F390-L417 HydrophobicContact CE2-CD2 4.07Å; F390-L417 HydrophobicContact CG-CD1 4.03Å; F390-L417 HydrophobicContact CG-CD2 4.46Å; F390-V437 HydrophobicContact CE1-CG1 4.1Å; F390-V437 HydrophobicContact CZ-CB 4.37Å; F390-V437 HydrophobicContact CZ-CG1 3.76Å
391	R	93.6	Very high	90.7	Very high	100 Å²	100	68.6 Å²	68.6	38%	0.377	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	155	170.1	74.6	178.1	-166.3	-120.9	1.8	111.1	I401 L402 D404	R391-I401 WeakPolarHBondContact O-CA 3.43Å; R391-L402 HydrophobicContact CG-CD1 3.62Å; R391-L402 HydrophobicContact CG-CG 3.89Å; R391-L402 PolarHBondContact N-O 2.92Å; R391-L402 PolarHBondContact O-N 2.9Å; R391-D404 HydrophobicContact CB-CB 4.23Å; R391-D404 HydrophobicContact CG-CB 4.16Å; R391-D404 IonicContact CZ-OD1 3.17Å; R391-D404 IonicContact NE-OD1 3.85Å; R391-D404 IonicContact NH1-OD1 3.72Å; R391-D404 PolarHBondContact NH1-OD1 2.88Å
392	L	93.7	Very high	90.8	Very high	32 Å²	32	62.6 Å²	62.6	17%	0.168	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	140.9	162.5	-163.6	74.4	0	0	0	109	V367 C382 E394 T400 I401	V367-L392 HydrophobicContact CG2-CD1 4.21Å; C382-L392 HydrophobicContact CB-CD2 3.33Å; L392-E394 HydrophobicContact CD2-CG 4.36Å; L392-T400 CarbonylContact C-O 3.51Å; L392-T400 WeakPolarHBondContact CA-O 2.83Å; L392-I401 HydrophobicContact CD1-CG1 3.71Å
393	Q	92.4	Very high	91	Very high	66 Å²	66	61.9 Å²	61.9	31%	0.308	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	113.3	170.5	179.3	135.5	4.3	0	0	109.4	Y395 S399 T400 L402	Q393-Y395 HydrophobicContact CB-CE2 4.43Å; Q393-Y395 HydrophobicContact CG-CE2 3.89Å; Q393-Y395 WeakPolarHBondContact O-CD2 3.35Å; Q393-S399 CarbonylContact O-C 3.49Å; Q393-S399 VanDerWaalsContact O-CA 3.27Å; Q393-S399 WeakPolarHBondContact O-CA 3.39Å; Q393-T400 PolarHBondContact N-O 2.89Å; Q393-T400 PolarHBondContact O-N 3.05Å; Q393-L402 HydrophobicContact CB-CD2 3.95Å
394	E	91	Very high	91	Very high	108 Å²	108	62.7 Å²	62.7	51%	0.505	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	142.6	-177.6	-57.1	-178.1	131.7	0	0	111.5	C382 L392	C382-E394 PolarHBondContact N-OE1 2.83Å; C382-E394 VanDerWaalsContact N-OE1 3.14Å; L392-E394 HydrophobicContact CD2-CG 4.36Å
395	Y	88.2	Confident	90.8	Very high	120 Å²	120	61.9 Å²	61.9	47%	0.471	33%	0.327	S	S	.	.			trans	-131.2	173.6	170.9	-61.3	-97.8	0	0	0	108.8	Q393 S397 F398 T400	Q393-Y395 HydrophobicContact CB-CE2 4.43Å; Q393-Y395 HydrophobicContact CG-CE2 3.89Å; Q393-Y395 WeakPolarHBondContact O-CD2 3.35Å; Y395-S397 PolarHBondContact O-N 2.72Å; Y395-F398 CarbonylContact C-O 3.36Å; Y395-F398 WeakPolarHBondContact CA-O 3.45Å; Y395-F398 WeakPolarHBondContact CB-O 3.49Å; Y395-F398 HydrophobicContact CD1-CE2 4.48Å; Y395-F398 AromaticContact CD2-CD2 3.87Å; Y395-F398 HydrophobicContact CD2-CD2 3.87Å; Y395-F398 AromaticContact CD2-CE2 3.49Å; Y395-F398 HydrophobicContact CD2-CE2 3.49Å; Y395-F398 VanDerWaalsContact CD2-CE2 3.49Å; Y395-F398 HydrophobicContact CD2-CZ 4.33Å; Y395-F398 HydrophobicContact CE2-CE2 4.05Å; Y395-F398 HydrophobicContact CG-CD2 4.27Å; Y395-F398 AromaticContact CG-CE2 3.74Å; Y395-F398 HydrophobicContact CG-CE2 3.74Å; Y395-F398 HydrophobicContact CG-CZ 4.15Å; Y395-F398 PolarHBondContact N-O 2.84Å; Y395-F398 VanDerWaalsContact O-O 3.1Å; Y395-T400 HydrophobicContact CE2-CG2 4.12Å
396	E	83.1	Confident	90.8	Very high	208 Å²	208	67 Å²	67	97%	0.972	35%	0.348	S	S	*	.	S	Bend	trans	-59.9	-22.9	-171.6	-61.9	-178.2	154.6	0	0	115.7
397	S	80	Confident	91.2	Very high	81 Å²	81	64.3 Å²	64.3	57%	0.566	32%	0.317	S	S	*	.	S	Bend	trans	-138.6	0.9	-175	55.1	0	0	0	0	115.1	Y395	Y395-S397 PolarHBondContact O-N 2.72Å
398	F	89.6	Confident	91.5	Very high	79 Å²	79	59.2 Å²	59.2	35%	0.346	29%	0.29	S	S	.	.			trans	-163.4	171	179.7	59.6	-97.9	0	0	0	110.3	L366 Y395 T400	L366-F398 HydrophobicContact CD1-CB 3.87Å; L366-F398 HydrophobicContact CD1-CD2 3.35Å; L366-F398 HydrophobicContact CD1-CE2 4.01Å; L366-F398 HydrophobicContact CD1-CG 3.72Å; Y395-F398 CarbonylContact C-O 3.36Å; Y395-F398 WeakPolarHBondContact CA-O 3.45Å; Y395-F398 WeakPolarHBondContact CB-O 3.49Å; Y395-F398 HydrophobicContact CD1-CE2 4.48Å; Y395-F398 AromaticContact CD2-CD2 3.87Å; Y395-F398 HydrophobicContact CD2-CD2 3.87Å; Y395-F398 AromaticContact CD2-CE2 3.49Å; Y395-F398 HydrophobicContact CD2-CE2 3.49Å; Y395-F398 VanDerWaalsContact CD2-CE2 3.49Å; Y395-F398 HydrophobicContact CD2-CZ 4.33Å; Y395-F398 HydrophobicContact CE2-CE2 4.05Å; Y395-F398 HydrophobicContact CG-CD2 4.27Å; Y395-F398 AromaticContact CG-CE2 3.74Å; Y395-F398 HydrophobicContact CG-CE2 3.74Å; Y395-F398 HydrophobicContact CG-CZ 4.15Å; Y395-F398 PolarHBondContact N-O 2.84Å; Y395-F398 VanDerWaalsContact O-O 3.1Å; F398-T400 HydrophobicContact CD2-CG2 4.28Å; F398-T400 HydrophobicContact CE2-CG2 4.15Å
399	S	91.9	Very high	91.7	Very high	9 Å²	9	59.2 Å²	59.2	6%	0.063	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	151.2	168.7	-63.4	0	0	0	0	110.6	V367 Q393	V367-S399 PolarHBondContact N-O 2.92Å; V367-S399 PolarHBondContact O-N 2.83Å; V367-S399 VanDerWaalsContact O-O 3.05Å; Q393-S399 CarbonylContact O-C 3.49Å; Q393-S399 VanDerWaalsContact O-CA 3.27Å; Q393-S399 WeakPolarHBondContact O-CA 3.39Å
400	T	92.4	Very high	91.8	Very high	11 Å²	11	60.9 Å²	60.9	7%	0.067	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	143.6	170.4	59.3	0	0	0	0	110.9	V363 A365 L366 L392 Q393 Y395 F398	V363-T400 HydrophobicContact CG1-CG2 4.03Å; A365-T400 WeakPolarHBondContact O-CA 3.38Å; L366-T400 HydrophobicContact CD1-CG2 4.06Å; L392-T400 CarbonylContact C-O 3.51Å; L392-T400 WeakPolarHBondContact CA-O 2.83Å; Q393-T400 PolarHBondContact N-O 2.89Å; Q393-T400 PolarHBondContact O-N 3.05Å; Y395-T400 HydrophobicContact CE2-CG2 4.12Å; F398-T400 HydrophobicContact CD2-CG2 4.28Å; F398-T400 HydrophobicContact CE2-CG2 4.15Å
401	I	93.4	Very high	91.7	Very high	0 Å²	0	68.1 Å²	68.1	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	129.8	165.5	-58.8	172.3	0	0	0	107.2	I364 A365 V367 F390 R391 L392 L417 I419 L435	I364-I401 HydrophobicContact CD1-CG2 3.78Å; I364-I401 HydrophobicContact CG1-CB 4.05Å; I364-I401 HydrophobicContact CG1-CG2 3.76Å; I364-I401 WeakPolarHBondContact CG1-O 3.42Å; I364-I401 PolarHBondContact N-O 2.85Å; A365-I401 HydrophobicContact CB-CB 4.39Å; A365-I401 HydrophobicContact CB-CD1 4.41Å; A365-I401 PolarHBondContact N-O 2.87Å; A365-I401 PolarHBondContact O-N 2.68Å; V367-I401 HydrophobicContact CG2-CD1 3.67Å; V367-I401 HydrophobicContact CG2-CG1 3.73Å; F390-I401 HydrophobicContact CB-CG2 4.16Å; R391-I401 WeakPolarHBondContact O-CA 3.43Å; L392-I401 HydrophobicContact CD1-CG1 3.71Å; I401-L417 HydrophobicContact CG2-CD1 4Å; I401-I419 HydrophobicContact CD1-CD1 3.74Å; I401-I419 HydrophobicContact CD1-CG1 3.95Å; I401-L435 HydrophobicContact CD1-CD2 4.06Å
402	L	93.4	Very high	91.6	Very high	5 Å²	5	67.9 Å²	67.9	3%	0.026	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	156.9	-177	69.8	81.7	0	0	0	112.7	Y362 V363 F390 R391 Q393	Y362-L402 CarbonylContact O-C 3.58Å; Y362-L402 WeakPolarHBondContact O-CA 3.45Å; Y362-L402 VanDerWaalsContact O-CB 3.31Å; Y362-L402 WeakPolarHBondContact O-CB 3.32Å; V363-L402 HydrophobicContact CG2-CB 4.2Å; F390-L402 CarbonylContact C-O 3.59Å; F390-L402 VanDerWaalsContact CA-O 3.23Å; F390-L402 WeakPolarHBondContact CA-O 3.23Å; R391-L402 HydrophobicContact CG-CD1 3.62Å; R391-L402 HydrophobicContact CG-CG 3.89Å; R391-L402 PolarHBondContact N-O 2.92Å; R391-L402 PolarHBondContact O-N 2.9Å; Q393-L402 HydrophobicContact CB-CD2 3.95Å
403	V	95.2	Very high	91.6	Very high	0 Å²	0	70.6 Å²	70.6	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	126.4	177.6	-176.2	0	0	0	0	110.4	V354 A358 R360 G361 Y362 I364 F390 L407	V354-V403 HydrophobicContact CG2-CG2 4.18Å; A358-V403 HydrophobicContact CB-CG2 4.2Å; R360-V403 CarbonylContact C-O 3.39Å; R360-V403 VanDerWaalsContact CA-O 3.31Å; R360-V403 WeakPolarHBondContact CA-O 3.5Å; G361-V403 PolarHBondContact N-O 2.81Å; Y362-V403 HydrophobicContact CD1-CG2 4.48Å; Y362-V403 PolarHBondContact O-N 2.98Å; I364-V403 HydrophobicContact CG2-CG2 4.13Å; F390-V403 HydrophobicContact CD1-CG2 4.17Å; F390-V403 HydrophobicContact CE1-CG2 4.02Å; V403-L407 HydrophobicContact CG1-CD1 4.31Å; V403-L407 HydrophobicContact CG1-CG 4.16Å; V403-L407 HydrophobicContact CG2-CD1 4.12Å
404	D	94	Very high	91.7	Very high	66 Å²	66	69.8 Å²	69.8	35%	0.353	34%	0.341	S	S	.	.			trans	-121.7	-24.5	178.8	-160.2	65.5	0	0	0	112.8	R360 P389 R391	R360-D404 WeakPolarHBondContact CD-O 3.49Å; R360-D404 PolarHBondContact NE-O 2.82Å; P389-D404 PolarHBondContact O-N 3.44Å; R391-D404 HydrophobicContact CB-CB 4.23Å; R391-D404 HydrophobicContact CG-CB 4.16Å; R391-D404 IonicContact CZ-OD1 3.17Å; R391-D404 IonicContact NE-OD1 3.85Å; R391-D404 IonicContact NH1-OD1 3.72Å; R391-D404 PolarHBondContact NH1-OD1 2.88Å
405	G	90.2	Very high	91.8	Very high	18 Å²	18	65.7 Å²	65.7	19%	0.186	32%	0.322	C	S	.	.	S	Bend	trans	-81.5	-149.9	175.8	0	0	0	0	0	114.1	R360 P389	R360-G405 VanDerWaalsContact CG-O 3.29Å; R360-G405 WeakPolarHBondContact CG-O 3.32Å; R360-G405 PolarHBondContact NE-O 2.72Å; P389-G405 PolarHBondContact O-N 2.82Å
406	K	91.3	Very high	92	Very high	186 Å²	186	65.4 Å²	65.4	81%	0.809	33%	0.329	S	S	*	.			trans	-107.1	157.5	146.3	-86.7	-173.9	153.4	-133.6	0	106.5
407	L	94.6	Very high	92.5	Very high	14 Å²	14	55.5 Å²	55.5	7%	0.073	28%	0.282	C	S	.	.			trans	-107.8	158	164.5	-59.4	-179.9	0	0	0	108.3	V354 E356 P389 F390 V403 F415 V439	V354-L407 HydrophobicContact CG1-CD1 3.74Å; V354-L407 HydrophobicContact CG2-CD1 3.96Å; E356-L407 HydrophobicContact CB-CB 4.13Å; P389-L407 HydrophobicContact CB-CD2 4.16Å; P389-L407 HydrophobicContact CG-CD2 3.67Å; F390-L407 HydrophobicContact CE1-CD1 4.26Å; F390-L407 HydrophobicContact CE1-CD2 4.2Å; F390-L407 HydrophobicContact CE2-CD2 4.3Å; F390-L407 HydrophobicContact CZ-CD1 4.31Å; F390-L407 HydrophobicContact CZ-CD2 3.72Å; V403-L407 HydrophobicContact CG1-CD1 4.31Å; V403-L407 HydrophobicContact CG1-CG 4.16Å; V403-L407 HydrophobicContact CG2-CD1 4.12Å; L407-F415 HydrophobicContact CD2-CE2 4.34Å; L407-V439 HydrophobicContact CB-CG1 4.45Å
408	D	94.3	Very high	93.1	Very high	67 Å²	67	53.5 Å²	53.5	36%	0.358	27%	0.267	S	S	.	.			trans	-169.3	103.3	-167.3	175.3	-33.3	0	0	0	105.2	Q411 K412	D408-Q411 HydrophobicContact CB-CB 4.14Å; D408-Q411 VanDerWaalsContact CG-CB 3.44Å; D408-Q411 WeakPolarHBondContact OD1-CA 3.27Å; D408-Q411 WeakPolarHBondContact OD1-CB 3.45Å; D408-Q411 PolarHBondContact OD1-N 2.88Å; D408-K412 PolarHBondContact O-N 3.45Å
409	R	95.4	Very high	93.3	Very high	36 Å²	36	49.8 Å²	49.8	14%	0.136	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-34	-170.1	-176.2	-140.6	60.6	101.5	-8.6	111	E356 Q411 K412 D413 V439 D441 P476	E356-R409 WeakPolarHBondContact OE2-CB 3.45Å; E356-R409 PolarHBondContact OE2-N 2.76Å; R409-Q411 VanDerWaalsContact C-N 3.27Å; R409-Q411 PolarHBondContact O-N 3.18Å; R409-K412 CarbonylContact O-C 3.49Å; R409-K412 PolarHBondContact O-N 3.46Å; R409-D413 HydrophobicContact CG-CB 4.08Å; R409-D413 PolarHBondContact O-N 2.76Å; R409-V439 HydrophobicContact CB-CB 4.24Å; R409-V439 HydrophobicContact CB-CG1 3.82Å; R409-V439 HydrophobicContact CG-CB 4.3Å; R409-V439 HydrophobicContact CG-CG1 4.33Å; R409-D441 WeakPolarHBondContact CD-OD1 3.43Å; R409-D441 IonicContact CZ-OD1 3.89Å; R409-D441 IonicContact NE-OD1 3.45Å; R409-D441 PolarHBondContact NE-OD1 2.89Å; R409-D441 IonicContact NH2-OD1 3.15Å; R409-P476 PolarHBondContact NH2-O 2.8Å
410	E	94.3	Very high	93.4	Very high	63 Å²	63	50.5 Å²	50.5	29%	0.294	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-37	175.4	-64	60.4	-122.3	0	0	110.5	P476	E410-P476 HydrophobicContact CG-CB 3.84Å; E410-P476 HydrophobicContact CG-CG 4.13Å
411	Q	93.1	Very high	93.6	Very high	162 Å²	162	50 Å²	50	76%	0.757	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75	-44.6	169.2	179.6	167.6	106.8	0	0	112.4	D408 R409	D408-Q411 HydrophobicContact CB-CB 4.14Å; D408-Q411 VanDerWaalsContact CG-CB 3.44Å; D408-Q411 WeakPolarHBondContact OD1-CA 3.27Å; D408-Q411 WeakPolarHBondContact OD1-CB 3.45Å; D408-Q411 PolarHBondContact OD1-N 2.88Å; R409-Q411 VanDerWaalsContact C-N 3.27Å; R409-Q411 PolarHBondContact O-N 3.18Å
412	K	92.9	Very high	93.6	Very high	95 Å²	95	52.1 Å²	52.1	41%	0.413	26%	0.26	S	S	.	.			trans	-161.6	105.7	-177	-173.5	163.5	172.1	174.5	0	114.6	D408 R409 T414 F415	D408-K412 PolarHBondContact O-N 3.45Å; R409-K412 CarbonylContact O-C 3.49Å; R409-K412 PolarHBondContact O-N 3.46Å; K412-T414 WeakPolarHBondContact CE-O 3.5Å; K412-T414 PolarHBondContact O-N 2.86Å; K412-F415 HydrophobicContact CB-CE2 4.19Å; K412-F415 HydrophobicContact CB-CZ 3.99Å; K412-F415 HydrophobicContact CD-CD1 4.19Å; K412-F415 HydrophobicContact CD-CE1 3.68Å; K412-F415 HydrophobicContact CD-CE2 4.18Å; K412-F415 HydrophobicContact CD-CZ 3.67Å; K412-F415 HydrophobicContact CG-CD2 4.41Å; K412-F415 HydrophobicContact CG-CE1 4.28Å; K412-F415 HydrophobicContact CG-CE2 3.87Å; K412-F415 HydrophobicContact CG-CZ 3.8Å; K412-F415 WeakPolarHBondContact O-CE2 3.4Å
413	D	92.6	Very high	93.7	Very high	88 Å²	88	52 Å²	52	47%	0.471	26%	0.259	S	S	.	.	S	Bend	trans	-69.6	-25.6	177.5	69.5	0.7	0	0	0	115.7	R409 K438 V439	R409-D413 HydrophobicContact CG-CB 4.08Å; R409-D413 PolarHBondContact O-N 2.76Å; D413-K438 CarbonylContact O-C 3.57Å; D413-K438 WeakPolarHBondContact O-CA 3.03Å; D413-V439 PolarHBondContact O-N 3.24Å
414	T	94.4	Very high	93.6	Very high	49 Å²	49	54.8 Å²	54.8	30%	0.301	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	129.2	-165.8	-48.5	0	0	0	0	113.4	K412 V436	K412-T414 WeakPolarHBondContact CE-O 3.5Å; K412-T414 PolarHBondContact O-N 2.86Å; T414-V436 HydrophobicContact CG2-CG1 3.76Å
415	F	93.4	Very high	93.5	Very high	22 Å²	22	51.8 Å²	51.8	10%	0.096	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	117	177	-65.9	-98.1	0	0	0	111.4	P389 F390 L407 K412 L417 V437 V439	P389-F415 VanDerWaalsContact CD-CE1 3.41Å; P389-F415 HydrophobicContact CG-CD1 4.12Å; P389-F415 HydrophobicContact CG-CE1 3.57Å; P389-F415 HydrophobicContact CG-CZ 3.82Å; F390-F415 HydrophobicContact CE2-CB 3.92Å; F390-F415 HydrophobicContact CE2-CD1 4.1Å; F390-F415 HydrophobicContact CE2-CD2 4.16Å; F390-F415 AromaticContact CE2-CG 3.81Å; F390-F415 HydrophobicContact CE2-CG 3.81Å; F390-F415 HydrophobicContact CZ-CD2 4.41Å; F390-F415 HydrophobicContact CZ-CG 4.47Å; L407-F415 HydrophobicContact CD2-CE2 4.34Å; K412-F415 HydrophobicContact CB-CE2 4.19Å; K412-F415 HydrophobicContact CB-CZ 3.99Å; K412-F415 HydrophobicContact CD-CD1 4.19Å; K412-F415 HydrophobicContact CD-CE1 3.68Å; K412-F415 HydrophobicContact CD-CE2 4.18Å; K412-F415 HydrophobicContact CD-CZ 3.67Å; K412-F415 HydrophobicContact CG-CD2 4.41Å; K412-F415 HydrophobicContact CG-CE1 4.28Å; K412-F415 HydrophobicContact CG-CE2 3.87Å; K412-F415 HydrophobicContact CG-CZ 3.8Å; K412-F415 WeakPolarHBondContact O-CE2 3.4Å; F415-L417 HydrophobicContact CB-CD2 4.17Å; F415-L417 PolarHBondContact O-N 2.8Å; F415-V437 HydrophobicContact CB-CB 4.38Å; F415-V437 PolarHBondContact N-O 3.44Å; F415-V437 PolarHBondContact O-N 2.9Å; F415-V439 HydrophobicContact CD2-CG2 4.09Å; F415-V439 HydrophobicContact CE2-CG2 3.89Å
416	N	93	Very high	93.5	Very high	115 Å²	115	58.6 Å²	58.6	62%	0.615	29%	0.294	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.7	110.2	169.3	-65.3	-9.5	0	0	0	108.6
417	L	92.9	Very high	93.6	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	122.2	179.3	-59.9	-166.8	0	0	0	109.9	I364 L384 V388 F390 I401 F415 S434 L435 V437	I364-L417 HydrophobicContact CD1-CD1 4.18Å; L384-L417 HydrophobicContact CD1-CB 4.18Å; V388-L417 HydrophobicContact CB-CD2 3.98Å; V388-L417 HydrophobicContact CG1-CD2 3.99Å; V388-L417 HydrophobicContact CG2-CD2 4Å; F390-L417 HydrophobicContact CB-CD1 4.3Å; F390-L417 HydrophobicContact CD2-CD1 3.96Å; F390-L417 HydrophobicContact CD2-CD2 3.66Å; F390-L417 HydrophobicContact CD2-CG 4.4Å; F390-L417 HydrophobicContact CE2-CD1 4.42Å; F390-L417 HydrophobicContact CE2-CD2 4.07Å; F390-L417 HydrophobicContact CG-CD1 4.03Å; F390-L417 HydrophobicContact CG-CD2 4.46Å; I401-L417 HydrophobicContact CG2-CD1 4Å; F415-L417 HydrophobicContact CB-CD2 4.17Å; F415-L417 PolarHBondContact O-N 2.8Å; L417-S434 CarbonylContact O-C 3.58Å; L417-S434 VanDerWaalsContact O-CA 3.32Å; L417-S434 WeakPolarHBondContact O-CA 3.45Å; L417-L435 HydrophobicContact CB-CB 4.47Å; L417-L435 PolarHBondContact N-O 3.14Å; L417-L435 PolarHBondContact O-N 2.75Å; L417-V437 HydrophobicContact CD1-CG2 3.54Å; L417-V437 HydrophobicContact CG-CG2 3.85Å
418	T	93.4	Very high	93.5	Very high	39 Å²	39	58.6 Å²	58.6	24%	0.239	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	113.1	174.5	-55.7	0	0	0	0	109.7	Q385 T432	Q385-T418 PolarHBondContact N-O 3.3Å; T418-T432 HydrophobicContact CG2-CG2 4.33Å
419	I	93.6	Very high	93.5	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	129.9	173.5	-52	158.6	0	0	0	107.2	I342 L344 V367 L384 I401 T432 K433	I342-I419 HydrophobicContact CD1-CG2 4.24Å; I342-I419 HydrophobicContact CG2-CG2 4.5Å; L344-I419 HydrophobicContact CD2-CD1 3.76Å; V367-I419 HydrophobicContact CG1-CD1 4.34Å; V367-I419 HydrophobicContact CG1-CG2 4.38Å; V367-I419 HydrophobicContact CG2-CD1 3.92Å; L384-I419 HydrophobicContact CD1-CG1 4.22Å; I401-I419 HydrophobicContact CD1-CD1 3.74Å; I401-I419 HydrophobicContact CD1-CG1 3.95Å; I419-T432 CarbonylContact O-C 3.58Å; I419-T432 WeakPolarHBondContact O-CA 3.37Å; I419-K433 PolarHBondContact N-O 2.85Å; I419-K433 PolarHBondContact O-N 3.27Å
420	Q	94.4	Very high	93.5	Very high	25 Å²	25	62.1 Å²	62.1	12%	0.117	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	126.5	169.4	178.4	-170.8	-25.3	0	0	109.8	T383 Q385 E422 R430 A431 T432	T383-Q420 PolarHBondContact N-O 3.07Å; T383-Q420 PolarHBondContact O-N 2.8Å; T383-Q420 PolarHBondContact OG1-O 2.94Å; Q385-Q420 HydrophobicContact CG-CB 4.07Å; Q420-E422 PolarHBondContact NE2-OE2 3.28Å; Q420-R430 VanDerWaalsContact NE2-NH1 3.12Å; Q420-A431 WeakPolarHBondContact CA-O 3.43Å; Q420-T432 HydrophobicContact CB-CG2 4.13Å; Q420-T432 HydrophobicContact CG-CG2 4.24Å
421	A	95	Very high	93.6	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	139.6	162.6	0	0	0	0	0	109.1	P340 I342 V369 V380 R430 A431	P340-A421 HydrophobicContact CB-CB 3.97Å; P340-A421 HydrophobicContact CG-CB 3.96Å; I342-A421 HydrophobicContact CD1-CB 3.72Å; I342-A421 HydrophobicContact CG1-CB 3.67Å; V369-A421 HydrophobicContact CG1-CB 3.84Å; V380-A421 HydrophobicContact CG1-CB 3.76Å; A421-R430 CarbonylContact O-C 3.47Å; A421-R430 VanDerWaalsContact O-CA 3.24Å; A421-R430 WeakPolarHBondContact O-CA 3.33Å; A421-R430 WeakPolarHBondContact O-CB 3.25Å; A421-A431 PolarHBondContact N-O 3.18Å; A421-A431 PolarHBondContact O-N 3.3Å
422	E	94.4	Very high	93.6	Very high	45 Å²	45	56.8 Å²	56.8	21%	0.21	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	131.4	177.3	-179.9	163.9	-158.4	0	0	108.2	K381 Q420 Q428 R430	K381-E422 PolarHBondContact N-O 2.96Å; K381-E422 PolarHBondContact O-N 2.91Å; Q420-E422 PolarHBondContact NE2-OE2 3.28Å; E422-Q428 HydrophobicContact CG-CB 4.41Å; E422-R430 HydrophobicContact CB-CB 4.41Å; E422-R430 IonicContact OE1-CZ 3.54Å; E422-R430 IonicContact OE1-NH1 3.31Å; E422-R430 PolarHBondContact OE1-NH1 3.47Å; E422-R430 IonicContact OE1-NH2 3.8Å; E422-R430 PolarHBondContact OE1-NH2 3.49Å; E422-R430 IonicContact OE2-NH1 2.72Å; E422-R430 PolarHBondContact OE2-NH1 2.67Å
423	D	95.3	Very high	93.6	Very high	2 Å²	2	55.4 Å²	55.4	1%	0.011	30%	0.296	C	S	.	.			trans	-77.2	-175.5	-176.5	70.2	40	0	0	0	112.8	N336 N377 K379 G425 Q428 L429	N336-D423 PolarHBondContact ND2-OD2 2.92Å; N377-D423 WeakPolarHBondContact O-CB 3.47Å; K379-D423 CarbonylContact O-C 3.55Å; D423-G425 PolarHBondContact OD1-N 2.95Å; D423-Q428 PolarHBondContact O-NE2 2.81Å; D423-Q428 WeakPolarHBondContact OD1-CA 3.33Å; D423-L429 PolarHBondContact N-O 2.88Å; D423-L429 PolarHBondContact OD1-N 2.92Å; D423-L429 VanDerWaalsContact OD2-CA 3.25Å; D423-L429 WeakPolarHBondContact OD2-CA 3.29Å; D423-L429 WeakPolarHBondContact OD2-CB 3.31Å; D423-L429 PolarHBondContact OD2-N 2.97Å
424	S	93.8	Very high	93.5	Very high	59 Å²	59	54.6 Å²	54.6	41%	0.413	30%	0.297	S	S	.	.	S	Bend	trans	-114.3	18	172.8	-50.6	0	0	0	0	113.2	A376 K379	A376-S424 CarbonylContact O-C 3.53Å; A376-S424 WeakPolarHBondContact O-CB 3.39Å; K379-S424 WeakPolarHBondContact O-CB 3.23Å; K379-S424 PolarHBondContact O-N 3.27Å; K379-S424 VanDerWaalsContact O-N 3.11Å; K379-S424 PolarHBondContact O-OG 2.8Å
425	G	91.9	Very high	93.3	Very high	3 Å²	3	52.2 Å²	52.2	3%	0.031	28%	0.283	C	S	.	.	S	Bend	trans	-81.9	-175.4	178.1	0	0	0	0	0	114.1	N336 D423 Q428	N336-G425 VanDerWaalsContact OD1-CA 3.28Å; N336-G425 WeakPolarHBondContact OD1-CA 3.22Å; D423-G425 PolarHBondContact OD1-N 2.95Å; G425-Q428 WeakPolarHBondContact O-CG 3.26Å
426	I	89	Confident	93.3	Very high	160 Å²	160	53.6 Å²	53.6	82%	0.821	29%	0.293	S	S	*	.	S	Bend	trans	-142	108.2	-179.7	-53.9	-179.9	0	0	0	109.1
427	P	93	Very high	93.3	Very high	100 Å²	100	48.1 Å²	48.1	65%	0.649	26%	0.263	S	S	*	.	S	Bend	cis	-70.8	151.1	-0.8	32.4	-36.5	0	0	0	112.8	L429	P427-L429 PolarHBondContact O-N 3.44Å
428	Q	93.8	Very high	93.3	Very high	100 Å²	100	51.8 Å²	51.8	47%	0.467	28%	0.279	S	S	.	.	P	Polyproline II helix	trans	-75	123.1	177	-64.6	180	-86.5	0	0	112.3	E422 D423 G425	E422-Q428 HydrophobicContact CG-CB 4.41Å; D423-Q428 PolarHBondContact O-NE2 2.81Å; D423-Q428 WeakPolarHBondContact OD1-CA 3.33Å; G425-Q428 WeakPolarHBondContact O-CG 3.26Å
429	L	94.6	Very high	93.4	Very high	50 Å²	50	50.1 Å²	50.1	26%	0.262	27%	0.269	S	S	.	.	P	Polyproline II helix	trans	-85.9	159.5	167.7	-52.4	175.4	0	0	0	110.4	N336 P339 D423 P427	N336-L429 WeakPolarHBondContact ND2-CD1 3.16Å; N336-L429 WeakPolarHBondContact ND2-CG 3.31Å; P339-L429 HydrophobicContact CB-CB 4.16Å; P339-L429 HydrophobicContact CB-CD1 4.29Å; D423-L429 PolarHBondContact N-O 2.88Å; D423-L429 PolarHBondContact OD1-N 2.92Å; D423-L429 VanDerWaalsContact OD2-CA 3.25Å; D423-L429 WeakPolarHBondContact OD2-CA 3.29Å; D423-L429 WeakPolarHBondContact OD2-CB 3.31Å; D423-L429 PolarHBondContact OD2-N 2.97Å; P427-L429 PolarHBondContact O-N 3.44Å
430	R	95	Very high	93.4	Very high	128 Å²	128	52.1 Å²	52.1	48%	0.483	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	147.5	-177.4	72.1	-168.6	68.5	-106.1	-16.5	111.2	Q420 A421 E422	Q420-R430 VanDerWaalsContact NE2-NH1 3.12Å; A421-R430 CarbonylContact O-C 3.47Å; A421-R430 VanDerWaalsContact O-CA 3.24Å; A421-R430 WeakPolarHBondContact O-CA 3.33Å; A421-R430 WeakPolarHBondContact O-CB 3.25Å; E422-R430 HydrophobicContact CB-CB 4.41Å; E422-R430 IonicContact OE1-CZ 3.54Å; E422-R430 IonicContact OE1-NH1 3.31Å; E422-R430 PolarHBondContact OE1-NH1 3.47Å; E422-R430 IonicContact OE1-NH2 3.8Å; E422-R430 PolarHBondContact OE1-NH2 3.49Å; E422-R430 IonicContact OE2-NH1 2.72Å; E422-R430 PolarHBondContact OE2-NH1 2.67Å
431	A	95.3	Very high	93.4	Very high	25 Å²	25	52.5 Å²	52.5	21%	0.207	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	154.6	171.8	0	0	0	0	0	110.6	P340 I342 Q420 A421	P340-A431 HydrophobicContact CG-CB 4.45Å; P340-A431 WeakPolarHBondContact O-CB 3.33Å; I342-A431 HydrophobicContact CD1-CB 4.37Å; I342-A431 HydrophobicContact CG1-CB 4.49Å; Q420-A431 WeakPolarHBondContact CA-O 3.43Å; A421-A431 PolarHBondContact N-O 3.18Å; A421-A431 PolarHBondContact O-N 3.3Å
432	T	94.4	Very high	93.4	Very high	88 Å²	88	55.6 Å²	55.6	54%	0.54	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	132.2	176.8	53.5	0	0	0	0	111.2	T418 I419 Q420	T418-T432 HydrophobicContact CG2-CG2 4.33Å; I419-T432 CarbonylContact O-C 3.58Å; I419-T432 WeakPolarHBondContact O-CA 3.37Å; Q420-T432 HydrophobicContact CB-CG2 4.13Å; Q420-T432 HydrophobicContact CG-CG2 4.24Å
433	K	91.8	Very high	93.4	Very high	66 Å²	66	54.7 Å²	54.7	29%	0.287	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	130.3	172.6	-178.1	66.6	-177.4	173	0	109.3	I342 L344 E350 I419	I342-K433 HydrophobicContact CB-CB 4.03Å; I342-K433 HydrophobicContact CD1-CB 4.13Å; I342-K433 HydrophobicContact CG2-CB 3.9Å; L344-K433 HydrophobicContact CD1-CG 3.82Å; L344-K433 HydrophobicContact CG-CG 4.42Å; E350-K433 IonicContact OE1-NZ 2.98Å; E350-K433 PolarHBondContact OE1-NZ 2.79Å; I419-K433 PolarHBondContact N-O 2.85Å; I419-K433 PolarHBondContact O-N 3.27Å
434	S	91.4	Very high	93.2	Very high	70 Å²	70	58.9 Å²	58.9	49%	0.49	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	144.7	175.2	-55.2	0	0	0	0	111.1	L417	L417-S434 CarbonylContact O-C 3.58Å; L417-S434 VanDerWaalsContact O-CA 3.32Å; L417-S434 WeakPolarHBondContact O-CA 3.45Å
435	L	90.9	Very high	93.1	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	126	172.9	170.5	62.8	0	0	0	108.3	L344 V352 A365 I401 L417 V437	L344-L435 HydrophobicContact CD1-CB 4.28Å; L344-L435 HydrophobicContact CD1-CD1 4.47Å; V352-L435 HydrophobicContact CB-CD1 4.44Å; V352-L435 HydrophobicContact CG2-CD1 3.98Å; A365-L435 HydrophobicContact CB-CD2 3.78Å; I401-L435 HydrophobicContact CD1-CD2 4.06Å; L417-L435 HydrophobicContact CB-CB 4.47Å; L417-L435 PolarHBondContact N-O 3.14Å; L417-L435 PolarHBondContact O-N 2.75Å; L435-V437 HydrophobicContact CD2-CG2 4.28Å; L435-V437 HydrophobicContact CG-CG2 4.16Å
436	V	92.4	Very high	93.2	Very high	50 Å²	50	61.1 Å²	61.1	30%	0.303	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	126.2	172.7	-176.1	0	0	0	0	108.7	E350 M351 V352 T414	E350-V436 PolarHBondContact O-N 3.01Å; M351-V436 CarbonylContact C-O 3.32Å; M351-V436 VanDerWaalsContact CA-O 3.26Å; M351-V436 WeakPolarHBondContact CA-O 3.42Å; V352-V436 PolarHBondContact N-O 3.17Å; T414-V436 HydrophobicContact CG2-CG1 3.76Å
437	V	93.2	Very high	93.5	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	114.8	173.6	-179	0	0	0	0	108.3	V352 V354 I364 F390 F415 L417 L435	V352-V437 CarbonylContact O-C 3.53Å; V352-V437 WeakPolarHBondContact O-CA 3.17Å; V354-V437 HydrophobicContact CG1-CG1 3.46Å; V354-V437 VanDerWaalsContact CG1-CG1 3.46Å; I364-V437 HydrophobicContact CD1-CB 4.48Å; I364-V437 HydrophobicContact CD1-CG1 4.02Å; I364-V437 HydrophobicContact CD1-CG2 3.62Å; F390-V437 HydrophobicContact CE1-CG1 4.1Å; F390-V437 HydrophobicContact CZ-CB 4.37Å; F390-V437 HydrophobicContact CZ-CG1 3.76Å; F415-V437 HydrophobicContact CB-CB 4.38Å; F415-V437 PolarHBondContact N-O 3.44Å; F415-V437 PolarHBondContact O-N 2.9Å; L417-V437 HydrophobicContact CD1-CG2 3.54Å; L417-V437 HydrophobicContact CG-CG2 3.85Å; L435-V437 HydrophobicContact CD2-CG2 4.28Å; L435-V437 HydrophobicContact CG-CG2 4.16Å
438	K	93.4	Very high	93.6	Very high	78 Å²	78	53.4 Å²	53.4	34%	0.339	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	129.8	175.2	173.7	-175.2	162.9	-150.4	0	109.1	M351 V352 E353 V354 D413	M351-K438 HydrophobicContact CE-CB 3.68Å; M351-K438 HydrophobicContact CE-CD 3.42Å; M351-K438 VanDerWaalsContact CE-CD 3.42Å; M351-K438 HydrophobicContact CE-CG 4.19Å; V352-K438 PolarHBondContact O-N 3.38Å; E353-K438 CarbonylContact C-O 3.56Å; E353-K438 WeakPolarHBondContact CA-O 3.11Å; E353-K438 HydrophobicContact CG-CB 4.45Å; E353-K438 HydrophobicContact CG-CD 4.44Å; E353-K438 WeakPolarHBondContact OE1-CD 2.99Å; E353-K438 WeakPolarHBondContact OE1-CE 3.35Å; E353-K438 IonicContact OE1-NZ 2.84Å; E353-K438 PolarHBondContact OE1-NZ 2.7Å; V354-K438 PolarHBondContact N-O 2.57Å; D413-K438 CarbonylContact O-C 3.57Å; D413-K438 WeakPolarHBondContact O-CA 3.03Å
439	V	95.1	Very high	93.7	Very high	3 Å²	3	49.7 Å²	49.7	2%	0.018	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	131.7	172.8	-170.5	0	0	0	0	108.5	V354 E356 L407 R409 D413 F415	V354-V439 CarbonylContact O-C 3.51Å; V354-V439 VanDerWaalsContact O-CA 3.25Å; V354-V439 WeakPolarHBondContact O-CA 3.28Å; E356-V439 HydrophobicContact CB-CG1 3.64Å; L407-V439 HydrophobicContact CB-CG1 4.45Å; R409-V439 HydrophobicContact CB-CB 4.24Å; R409-V439 HydrophobicContact CB-CG1 3.82Å; R409-V439 HydrophobicContact CG-CB 4.3Å; R409-V439 HydrophobicContact CG-CG1 4.33Å; D413-V439 PolarHBondContact O-N 3.24Å; F415-V439 HydrophobicContact CD2-CG2 4.09Å; F415-V439 HydrophobicContact CE2-CG2 3.89Å
440	T	94.3	Very high	93.6	Very high	42 Å²	42	51.8 Å²	51.8	26%	0.258	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	136.1	175	61.7	0	0	0	0	110.7	E353 V354 S355 E356	E353-T440 HydrophobicContact CB-CG2 3.75Å; E353-T440 HydrophobicContact CG-CG2 4.28Å; V354-T440 PolarHBondContact O-N 2.8Å; V354-T440 PolarHBondContact O-OG1 2.74Å; S355-T440 VanDerWaalsContact CA-OG1 3.25Å; S355-T440 WeakPolarHBondContact CA-OG1 3.28Å; S355-T440 PolarHBondContact N-OG1 2.71Å; E356-T440 PolarHBondContact N-O 2.78Å
441	D	94.3	Very high	93.5	Very high	33 Å²	33	51.6 Å²	51.6	18%	0.176	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-60.8	134.2	-175.9	-164.6	87.8	0	0	0	114.1	E356 R409 L478 N481	E356-D441 VanDerWaalsContact OE1-CA 3.28Å; E356-D441 WeakPolarHBondContact OE1-CA 3.25Å; R409-D441 WeakPolarHBondContact CD-OD1 3.43Å; R409-D441 IonicContact CZ-OD1 3.89Å; R409-D441 IonicContact NE-OD1 3.45Å; R409-D441 PolarHBondContact NE-OD1 2.89Å; R409-D441 IonicContact NH2-OD1 3.15Å; D441-L478 HydrophobicContact CB-CB 3.87Å; D441-L478 WeakPolarHBondContact OD1-CA 3.27Å; D441-L478 WeakPolarHBondContact OD1-CB 3.24Å; D441-L478 PolarHBondContact OD1-N 2.96Å; D441-L478 PolarHBondContact OD2-N 3.41Å; D441-L478 VanDerWaalsContact OD2-N 3.12Å; D441-N481 PolarHBondContact OD2-ND2 2.93Å
442	E	93.6	Very high	93.3	Very high	66 Å²	66	54.7 Å²	54.7	31%	0.308	29%	0.293	S	S	.	.			trans	-123.8	144.1	171.4	-62.9	-92.1	153.8	0	0	109.4	S355 E356 N357 D444	S355-E442 WeakPolarHBondContact CB-OE1 2.92Å; S355-E442 WeakPolarHBondContact OG-CG 3.03Å; S355-E442 PolarHBondContact OG-OE1 2.87Å; E356-E442 HydrophobicContact CG-CB 3.98Å; E356-E442 HydrophobicContact CG-CG 3.85Å; E356-E442 PolarHBondContact OE1-N 2.95Å; N357-E442 HydrophobicContact CB-CG 4.05Å; N357-E442 WeakPolarHBondContact ND2-CB 3.37Å; N357-E442 WeakPolarHBondContact ND2-CG 3.29Å; N357-E442 PolarHBondContact ND2-OE2 3.31Å; E442-D444 PolarHBondContact O-N 3.12Å
443	N	94	Very high	93.3	Very high	25 Å²	25	56.8 Å²	56.8	13%	0.134	30%	0.297	C	S	.	.	S	Bend	trans	-77.3	73	-177.7	-160.6	110	0	0	0	111.7	D477 N481 D532 G534 L538	N443-D477 WeakPolarHBondContact CA-OD2 3.32Å; N443-N481 HydrophobicContact CB-CB 4.09Å; N443-N481 WeakPolarHBondContact OD1-CA 3.07Å; N443-N481 WeakPolarHBondContact OD1-CB 3.49Å; N443-N481 VanDerWaalsContact OD1-CG 3.29Å; N443-N481 PolarHBondContact OD1-OD1 2.76Å; N443-D532 PolarHBondContact ND2-OD2 3.17Å; N443-G534 VanDerWaalsContact OD1-CA 3.26Å; N443-G534 WeakPolarHBondContact OD1-CA 3.16Å; N443-L538 WeakPolarHBondContact ND2-CG 3.25Å; N443-L538 WeakPolarHBondContact O-CD1 3.33Å
444	D	92.1	Very high	93.5	Very high	91 Å²	91	54.8 Å²	54.8	49%	0.487	29%	0.287	S	S	.	.			trans	-99.2	-28.7	-170.6	159	-77.5	0	0	0	112	E442 D477	E442-D444 PolarHBondContact O-N 3.12Å; D444-D477 PolarHBondContact N-OD2 2.95Å; D444-D477 VanDerWaalsContact N-OD2 3.07Å
445	N	92.7	Very high	93.7	Very high	46 Å²	46	56.4 Å²	56.4	25%	0.246	29%	0.287	C	S	.	.	S	Bend	trans	-99.8	139.8	178.7	-62.4	-83.3	0	0	0	112.4	P476 D477 L538	N445-P476 HydrophobicContact CB-CG 3.56Å; N445-D477 VanDerWaalsContact CB-OD1 3.28Å; N445-D477 WeakPolarHBondContact CB-OD1 3.12Å; N445-D477 PolarHBondContact N-OD2 3.34Å; N445-D477 VanDerWaalsContact N-OD2 3.1Å; N445-D477 PolarHBondContact ND2-OD1 2.71Å; N445-L538 WeakPolarHBondContact O-CD1 3.49Å
446	P	93.7	Very high	93.9	Very high	63 Å²	63	59.8 Å²	59.8	41%	0.409	30%	0.303	S	S	.	.	P	Polyproline II helix	trans	-87.5	147.9	171.7	33	-32.7	0	0	0	111.7	H448 L538	P446-H448 PolarHBondContact O-N 2.82Å; P446-L538 HydrophobicContact CB-CB 3.99Å
447	P	95.7	Very high	94.1	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-56.7	125.5	174.7	-23.4	27.5	0	0	0	111.4	A473 D475 V484 A530 D532 S540	P447-A473 HydrophobicContact CB-CB 4.43Å; P447-D475 VanDerWaalsContact CA-OD2 3.25Å; P447-D475 WeakPolarHBondContact CA-OD2 3.39Å; P447-D475 HydrophobicContact CB-CB 4.48Å; P447-D475 WeakPolarHBondContact CD-OD2 3.4Å; P447-D475 WeakPolarHBondContact CG-OD2 3.46Å; P447-V484 HydrophobicContact CB-CG1 3.99Å; P447-V484 HydrophobicContact CB-CG2 3.9Å; P447-V484 HydrophobicContact CG-CG1 4.47Å; P447-V484 HydrophobicContact CG-CG2 4.27Å; P447-A530 HydrophobicContact CB-CB 3.95Å; P447-D532 HydrophobicContact CG-CB 4.16Å; P447-S540 WeakPolarHBondContact O-CB 3.44Å; P447-S540 PolarHBondContact O-OG 3.1Å
448	H	94.3	Very high	94.2	Very high	97 Å²	97	63.3 Å²	63.3	45%	0.449	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	121	-174	77.2	-77.8	0	0	0	112.2	P446 A473 E474	P446-H448 PolarHBondContact O-N 2.82Å; H448-A473 CarbonylContact O-C 3.5Å; H448-A473 WeakPolarHBondContact O-CA 3.41Å; H448-A473 WeakPolarHBondContact O-CB 3.49Å; H448-E474 PolarHBondContact N-O 2.88Å; H448-E474 PolarHBondContact ND1-O 3.07Å; H448-E474 PolarHBondContact O-N 3.36Å
449	F	95.7	Very high	94.1	Very high	23 Å²	23	65.7 Å²	65.7	10%	0.101	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	135	178.8	-76.6	-86.8	0	0	0	112.5	K451 Y454 V471 A473 Y486 V528 A530 S540 A542	F449-K451 WeakPolarHBondContact CB-O 3.42Å; F449-K451 PolarHBondContact O-N 2.95Å; F449-Y454 HydrophobicContact CD1-CE2 4.06Å; F449-V471 HydrophobicContact CD1-CB 4.38Å; F449-V471 HydrophobicContact CE1-CB 4.03Å; F449-V471 HydrophobicContact CE1-CG2 3.96Å; F449-A473 HydrophobicContact CB-CB 4.43Å; F449-A473 HydrophobicContact CD1-CB 3.97Å; F449-A473 HydrophobicContact CD2-CB 4.35Å; F449-A473 HydrophobicContact CE1-CB 4.34Å; F449-A473 HydrophobicContact CG-CB 3.99Å; F449-Y486 HydrophobicContact CE1-CD1 4.04Å; F449-Y486 AromaticContact CE1-CE1 3.92Å; F449-Y486 HydrophobicContact CE1-CE1 3.92Å; F449-Y486 HydrophobicContact CZ-CD1 4.25Å; F449-Y486 HydrophobicContact CZ-CE1 4.4Å; F449-V528 HydrophobicContact CE1-CG1 4.42Å; F449-V528 HydrophobicContact CZ-CB 4.35Å; F449-V528 HydrophobicContact CZ-CG1 4.09Å; F449-A530 HydrophobicContact CD2-CB 4.21Å; F449-A530 HydrophobicContact CE1-CB 4.18Å; F449-A530 HydrophobicContact CE2-CB 3.43Å; F449-A530 VanDerWaalsContact CE2-CB 3.43Å; F449-A530 HydrophobicContact CZ-CB 3.43Å; F449-A530 VanDerWaalsContact CZ-CB 3.43Å; F449-S540 WeakPolarHBondContact CD2-OG 3.12Å; F449-A542 HydrophobicContact CB-CB 4Å; F449-A542 HydrophobicContact CD1-CB 3.76Å; F449-A542 HydrophobicContact CD2-CB 3.63Å; F449-A542 HydrophobicContact CE1-CB 4.06Å; F449-A542 HydrophobicContact CE2-CB 3.94Å; F449-A542 HydrophobicContact CG-CB 3.52Å; F449-A542 HydrophobicContact CZ-CB 4.13Å
450	L	93.3	Very high	94	Very high	94 Å²	94	66 Å²	66	49%	0.492	33%	0.333	S	S	.	.	S	Bend	trans	-59.1	-21.6	175	-64.9	-179.6	0	0	0	113.3	S472 E474	L450-S472 PolarHBondContact N-O 3Å; L450-E474 HydrophobicContact CD2-CG 4.18Å
451	K	92.2	Very high	93.8	Very high	123 Å²	123	68.1 Å²	68.1	54%	0.535	34%	0.344	S	S	.	.			trans	-140.5	133.9	171.3	-57.4	177.6	-175.8	172.3	0	109.6	F449 H453 Y454	F449-K451 WeakPolarHBondContact CB-O 3.42Å; F449-K451 PolarHBondContact O-N 2.95Å; K451-H453 WeakPolarHBondContact CB-O 3.1Å; K451-H453 PolarHBondContact O-N 2.81Å; K451-Y454 HydrophobicContact CB-CD2 4.37Å; K451-Y454 HydrophobicContact CB-CE1 4.19Å; K451-Y454 HydrophobicContact CB-CE2 3.97Å; K451-Y454 HydrophobicContact CD-CD1 4.25Å; K451-Y454 HydrophobicContact CD-CE1 4.07Å; K451-Y454 HydrophobicContact CG-CE1 4.36Å; K451-Y454 WeakPolarHBondContact O-CE2 3.33Å
452	P	91.2	Very high	93.7	Very high	90 Å²	90	67.5 Å²	67.5	58%	0.584	34%	0.34	S	S	*	.	S	Bend	trans	-70.8	-21	174.4	28.5	-34.5	0	0	0	112.9	T543	P452-T543 PolarHBondContact O-N 3.22Å
453	H	94.9	Very high	93.7	Very high	132 Å²	132	71 Å²	71	61%	0.611	36%	0.36	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-135.1	131.5	178.9	-56.7	89	0	0	0	109.7	K451 T543	K451-H453 WeakPolarHBondContact CB-O 3.1Å; K451-H453 PolarHBondContact O-N 2.81Å; H453-T543 CarbonylContact C-O 3.51Å; H453-T543 WeakPolarHBondContact CA-O 3.23Å
454	Y	95.4	Very high	93.7	Very high	24 Å²	24	73.8 Å²	73.8	9%	0.094	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	144.4	169.4	-64.2	-101.1	0	0	0	108.5	F449 K451 L469 V471 S472 A542 T543 V544 R545	F449-Y454 HydrophobicContact CD1-CE2 4.06Å; K451-Y454 HydrophobicContact CB-CD2 4.37Å; K451-Y454 HydrophobicContact CB-CE1 4.19Å; K451-Y454 HydrophobicContact CB-CE2 3.97Å; K451-Y454 HydrophobicContact CD-CD1 4.25Å; K451-Y454 HydrophobicContact CD-CE1 4.07Å; K451-Y454 HydrophobicContact CG-CE1 4.36Å; K451-Y454 WeakPolarHBondContact O-CE2 3.33Å; Y454-L469 HydrophobicContact CD1-CD1 4.46Å; Y454-V471 HydrophobicContact CD1-CG1 4.09Å; Y454-V471 HydrophobicContact CD2-CG1 3.75Å; Y454-V471 HydrophobicContact CE1-CB 4.29Å; Y454-V471 HydrophobicContact CE1-CG1 4.14Å; Y454-V471 HydrophobicContact CE2-CB 4.07Å; Y454-V471 HydrophobicContact CE2-CG1 3.8Å; Y454-V471 HydrophobicContact CG-CG1 3.91Å; Y454-S472 PolarHBondContact OH-N 3.19Å; Y454-S472 PolarHBondContact OH-O 3.07Å; Y454-A542 HydrophobicContact CD2-CB 4.2Å; Y454-A542 HydrophobicContact CE2-CB 4.01Å; Y454-T543 PolarHBondContact N-O 2.89Å; Y454-V544 WeakPolarHBondContact O-CA 3.15Å; Y454-R545 PolarHBondContact O-N 2.57Å
455	Q	95.8	Very high	93.6	Very high	104 Å²	104	71.9 Å²	71.9	49%	0.486	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	135.4	173.6	-177.4	178.6	-57.7	0	0	108.9	R545 V547	Q455-R545 VanDerWaalsContact CA-O 3.31Å; Q455-R545 WeakPolarHBondContact CA-O 3.25Å; Q455-R545 HydrophobicContact CB-CB 4.29Å; Q455-R545 HydrophobicContact CG-CB 4.14Å; Q455-R545 HydrophobicContact CG-CG 4.07Å; Q455-V547 HydrophobicContact CG-CG2 4.14Å
456	E	95.4	Very high	93.7	Very high	71 Å²	71	71.3 Å²	71.3	33%	0.332	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	149.9	174.9	-165.9	55.1	-100.3	0	0	110.5	V458 L469 R545 I546 V547	E456-V458 HydrophobicContact CG-CG2 4.11Å; E456-L469 HydrophobicContact CB-CB 4.4Å; E456-L469 HydrophobicContact CB-CD2 3.65Å; E456-L469 HydrophobicContact CG-CB 4.31Å; E456-L469 HydrophobicContact CG-CD2 4.42Å; E456-R545 PolarHBondContact N-O 2.81Å; E456-I546 HydrophobicContact CB-CD1 4.09Å; E456-V547 PolarHBondContact O-N 2.74Å
457	M	95.4	Very high	93.7	Very high	109 Å²	109	71.4 Å²	71.4	54%	0.537	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	113.3	178.9	-67.4	-176.2	177.2	0	0	109.4	V547 L549	M457-V547 WeakPolarHBondContact CA-O 3.06Å; M457-V547 HydrophobicContact CG-CB 4.28Å; M457-L549 HydrophobicContact CB-CD1 3.99Å; M457-L549 HydrophobicContact CB-CG 4.22Å
458	V	94.9	Very high	93.6	Very high	15 Å²	15	72.4 Å²	72.4	9%	0.091	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	119.9	-170.2	-173	0	0	0	0	107.6	E456 N462 L468 F516 I546 V547 V548 L549	E456-V458 HydrophobicContact CG-CG2 4.11Å; V458-N462 HydrophobicContact CG1-CB 4.11Å; V458-L468 HydrophobicContact CG1-CD2 3.99Å; V458-L468 HydrophobicContact CG2-CD2 3.95Å; V458-F516 HydrophobicContact CB-CD2 4.46Å; V458-F516 HydrophobicContact CG1-CD2 4Å; V458-F516 HydrophobicContact CG1-CE2 4.19Å; V458-I546 HydrophobicContact CB-CG2 4.31Å; V458-I546 HydrophobicContact CG2-CG2 3.9Å; V458-V547 PolarHBondContact N-O 2.88Å; V458-V548 CarbonylContact O-C 3.57Å; V458-V548 VanDerWaalsContact O-CA 3.29Å; V458-V548 WeakPolarHBondContact O-CA 3.47Å; V458-L549 PolarHBondContact O-N 3.03Å
459	M	92.1	Very high	93.6	Very high	128 Å²	128	68.6 Å²	68.6	63%	0.631	37%	0.371	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60	142.3	170.1	-62.3	-177	-55.9	0	0	109.5	N462 L549 V551	M459-N462 WeakPolarHBondContact O-CB 3.36Å; M459-L549 WeakPolarHBondContact CA-O 3.14Å; M459-L549 HydrophobicContact CG-CB 4.46Å; M459-V551 HydrophobicContact CB-CG2 4.21Å
460	E	92.5	Very high	93.6	Very high	9 Å²	9	70.4 Å²	70.4	4%	0.042	39%	0.39	C	S	.	.	S	Bend	trans	-66.3	177.6	173.4	77	-171.8	124.2	0	0	112.8	N462 H518 V548 L549 D550 V551	E460-N462 PolarHBondContact O-N 3.33Å; E460-H518 VanDerWaalsContact OE2-CB 3.27Å; E460-H518 WeakPolarHBondContact OE2-CB 3.48Å; E460-H518 PolarHBondContact OE2-N 2.98Å; E460-V548 HydrophobicContact CB-CG1 3.64Å; E460-L549 PolarHBondContact N-O 3.45Å; E460-D550 VanDerWaalsContact OE1-CA 3.27Å; E460-D550 WeakPolarHBondContact OE1-CA 3.49Å; E460-V551 HydrophobicContact CG-CB 3.9Å; E460-V551 HydrophobicContact CG-CG2 3.95Å; E460-V551 PolarHBondContact OE1-N 3.21Å
461	N	91	Very high	93.7	Very high	88 Å²	88	66.1 Å²	66.1	47%	0.471	37%	0.368	S	S	.	.	S	Bend	trans	54.3	21.8	-171	-78.6	-64.6	0	0	0	113	F516 D553	N461-F516 PolarHBondContact N-O 2.86Å; N461-D553 PolarHBondContact ND2-OD2 2.89Å
462	N	92.2	Very high	93.8	Very high	20 Å²	20	62.5 Å²	62.5	11%	0.107	36%	0.358	C	S	.	.	P	Polyproline II helix	trans	-64	147.8	178.7	66.7	-60.4	0	0	0	111.7	V458 M459 E460 P464 S466 S512 S515 F516	V458-N462 HydrophobicContact CG1-CB 4.11Å; M459-N462 WeakPolarHBondContact O-CB 3.36Å; E460-N462 PolarHBondContact O-N 3.33Å; N462-P464 WeakPolarHBondContact O-CD 3.05Å; N462-S466 PolarHBondContact ND2-OG 3.18Å; N462-S512 VanDerWaalsContact ND2-CB 3.34Å; N462-S512 WeakPolarHBondContact ND2-CB 3.42Å; N462-S512 PolarHBondContact ND2-OG 2.84Å; N462-S515 VanDerWaalsContact O-CA 3.25Å; N462-S515 WeakPolarHBondContact O-CA 3.46Å; N462-S515 VanDerWaalsContact O-CB 3.31Å; N462-S515 WeakPolarHBondContact O-CB 3.46Å; N462-F516 VanDerWaalsContact OD1-CD2 3.32Å; N462-F516 WeakPolarHBondContact OD1-CD2 3.45Å; N462-F516 WeakPolarHBondContact OD1-CG 3.47Å; N462-F516 PolarHBondContact OD1-N 2.77Å
463	L	93.1	Very high	93.9	Very high	139 Å²	139	58.5 Å²	58.5	73%	0.728	33%	0.333	S	S	*	.	P	Polyproline II helix	trans	-64.8	128.5	179.5	-64	174.5	0	0	0	111	G465 S466 S512	L463-G465 PolarHBondContact O-N 3.06Å; L463-S466 WeakPolarHBondContact O-CB 3.33Å; L463-S466 PolarHBondContact O-N 2.98Å; L463-S466 PolarHBondContact O-OG 3.23Å; L463-S466 VanDerWaalsContact O-OG 3.09Å; L463-S512 PolarHBondContact O-OG 3.39Å
464	P	93.4	Very high	93.9	Very high	83 Å²	83	57.3 Å²	57.3	54%	0.539	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	136.9	165.5	-22.3	31.9	0	0	0	110.5	N462	N462-P464 WeakPolarHBondContact O-CD 3.05Å
465	G	91.6	Very high	93.9	Very high	51 Å²	51	57.3 Å²	57.3	53%	0.526	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.1	-1.1	-172.2	0	0	0	0	0	114.8	L463 S512	L463-G465 PolarHBondContact O-N 3.06Å; G465-S512 WeakPolarHBondContact CA-O 3.44Å; G465-S512 PolarHBondContact N-O 3.45Å
466	S	92.8	Very high	93.8	Very high	34 Å²	34	55.2 Å²	55.2	24%	0.238	32%	0.324	C	S	.	.			trans	-62.6	137.4	172.8	68.9	0	0	0	0	111.2	N462 L463 Y511 S512	N462-S466 PolarHBondContact ND2-OG 3.18Å; L463-S466 WeakPolarHBondContact O-CB 3.33Å; L463-S466 PolarHBondContact O-N 2.98Å; L463-S466 PolarHBondContact O-OG 3.23Å; L463-S466 VanDerWaalsContact O-OG 3.09Å; S466-Y511 CarbonylContact O-C 3.51Å; S466-Y511 WeakPolarHBondContact O-CA 3.41Å; S466-S512 PolarHBondContact N-OG 3.09Å; S466-S512 PolarHBondContact O-N 3.18Å; S466-S512 PolarHBondContact OG-OG 3.45Å
467	C	93.9	Very high	93.8	Very high	66 Å²	66	52.3 Å²	52.3	45%	0.446	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	126.2	172.1	-170.7	0	0	0	0	109	I510 Y511	C467-I510 WeakPolarHBondContact CA-O 3.47Å; C467-I510 PolarHBondContact SG-O 3.2Å; C467-I510 VanDerWaalsContact SG-O 3.4Å; C467-Y511 HydrophobicContact CB-CD1 3.78Å; C467-Y511 HydrophobicContact CB-CE1 3.65Å
468	L	94.4	Very high	93.7	Very high	21 Å²	21	52.2 Å²	52.2	11%	0.11	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	-62.3	-177.3	-55.3	-175.9	0	0	0	110.4	V458 V502 I510 F516 I546	V458-L468 HydrophobicContact CG1-CD2 3.99Å; V458-L468 HydrophobicContact CG2-CD2 3.95Å; L468-V502 HydrophobicContact CD1-CG1 3.84Å; L468-I510 HydrophobicContact CD1-CG2 4.44Å; L468-I510 PolarHBondContact N-O 2.62Å; L468-F516 HydrophobicContact CD1-CE2 3.92Å; L468-F516 HydrophobicContact CD1-CZ 4.03Å; L468-F516 HydrophobicContact CD2-CE2 4.3Å; L468-I546 HydrophobicContact CD1-CD1 4Å; L468-I546 HydrophobicContact CD1-CG1 4.45Å
469	L	94.8	Very high	93.6	Very high	17 Å²	17	53.9 Å²	53.9	9%	0.089	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	170.5	-179.4	71.7	86	0	0	0	111.4	Y454 E456 V471 I510 V544	Y454-L469 HydrophobicContact CD1-CD1 4.46Å; E456-L469 HydrophobicContact CB-CB 4.4Å; E456-L469 HydrophobicContact CB-CD2 3.65Å; E456-L469 HydrophobicContact CG-CB 4.31Å; E456-L469 HydrophobicContact CG-CD2 4.42Å; L469-V471 HydrophobicContact CD1-CG1 3.58Å; L469-I510 HydrophobicContact CD1-CD1 3.77Å; L469-I510 HydrophobicContact CD1-CG1 4.36Å; L469-I510 HydrophobicContact CG-CD1 4.16Å; L469-I510 PolarHBondContact O-N 3.06Å; L469-V544 HydrophobicContact CD2-CG1 3.77Å
470	A	94.6	Very high	93.5	Very high	61 Å²	61	53.9 Å²	53.9	50%	0.504	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	128.3	167	0	0	0	0	0	110.6	G508 R509	A470-G508 WeakPolarHBondContact CA-O 3.21Å; A470-R509 HydrophobicContact CB-CG 4.15Å
471	V	95.3	Very high	93.5	Very high	4 Å²	4	54.9 Å²	54.9	2%	0.024	34%	0.338	C	S	.	.			trans	-91.2	158.9	164.4	-60.6	0	0	0	0	109.8	F449 Y454 L469 Y486 I504 G508 I510 V528 V544	F449-V471 HydrophobicContact CD1-CB 4.38Å; F449-V471 HydrophobicContact CE1-CB 4.03Å; F449-V471 HydrophobicContact CE1-CG2 3.96Å; Y454-V471 HydrophobicContact CD1-CG1 4.09Å; Y454-V471 HydrophobicContact CD2-CG1 3.75Å; Y454-V471 HydrophobicContact CE1-CB 4.29Å; Y454-V471 HydrophobicContact CE1-CG1 4.14Å; Y454-V471 HydrophobicContact CE2-CB 4.07Å; Y454-V471 HydrophobicContact CE2-CG1 3.8Å; Y454-V471 HydrophobicContact CG-CG1 3.91Å; L469-V471 HydrophobicContact CD1-CG1 3.58Å; V471-Y486 HydrophobicContact CG2-CD1 3.83Å; V471-Y486 HydrophobicContact CG2-CE1 4.14Å; V471-I504 HydrophobicContact CG2-CD1 4.07Å; V471-G508 WeakPolarHBondContact CG2-O 3.33Å; V471-G508 PolarHBondContact N-O 2.97Å; V471-I510 HydrophobicContact CG1-CD1 4.08Å; V471-V528 HydrophobicContact CG2-CG1 4.07Å; V471-V544 HydrophobicContact CG1-CG2 4.02Å
472	S	94.2	Very high	93.6	Very high	46 Å²	46	51.6 Å²	51.6	32%	0.322	33%	0.325	S	S	.	.			trans	-151.3	135.8	175	165.6	0	0	0	0	109.6	L450 Y454	L450-S472 PolarHBondContact N-O 3Å; Y454-S472 PolarHBondContact OH-N 3.19Å; Y454-S472 PolarHBondContact OH-O 3.07Å
473	A	95	Very high	93.6	Very high	7 Å²	7	54.1 Å²	54.1	6%	0.058	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	148.5	168.7	0	0	0	0	0	108.3	P447 H448 F449 V484 Y486 A530	P447-A473 HydrophobicContact CB-CB 4.43Å; H448-A473 CarbonylContact O-C 3.5Å; H448-A473 WeakPolarHBondContact O-CA 3.41Å; H448-A473 WeakPolarHBondContact O-CB 3.49Å; F449-A473 HydrophobicContact CB-CB 4.43Å; F449-A473 HydrophobicContact CD1-CB 3.97Å; F449-A473 HydrophobicContact CD2-CB 4.35Å; F449-A473 HydrophobicContact CE1-CB 4.34Å; F449-A473 HydrophobicContact CG-CB 3.99Å; A473-V484 HydrophobicContact CB-CG1 4.29Å; A473-Y486 HydrophobicContact CB-CE1 4.05Å; A473-Y486 PolarHBondContact N-OH 2.88Å; A473-Y486 PolarHBondContact O-OH 3.15Å; A473-Y486 VanDerWaalsContact O-OH 3.06Å; A473-A530 HydrophobicContact CB-CB 3.77Å
474	E	94.1	Very high	93.7	Very high	107 Å²	107	48.9 Å²	48.9	50%	0.5	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	153.9	176.4	-68.7	176.9	-176.4	0	0	108.6	H448 L450	H448-E474 PolarHBondContact N-O 2.88Å; H448-E474 PolarHBondContact ND1-O 3.07Å; H448-E474 PolarHBondContact O-N 3.36Å; L450-E474 HydrophobicContact CD2-CG 4.18Å
475	D	95.9	Very high	93.7	Very high	24 Å²	24	46.5 Å²	46.5	13%	0.128	30%	0.3	C	S	.	.			trans	-141.2	127.4	-179.3	-163.1	-55.1	0	0	0	107.4	P447 D477 V484	P447-D475 VanDerWaalsContact CA-OD2 3.25Å; P447-D475 WeakPolarHBondContact CA-OD2 3.39Å; P447-D475 HydrophobicContact CB-CB 4.48Å; P447-D475 WeakPolarHBondContact CD-OD2 3.4Å; P447-D475 WeakPolarHBondContact CG-OD2 3.46Å; D475-D477 PolarHBondContact OD1-N 2.86Å; D475-V484 HydrophobicContact CB-CG2 3.63Å
476	P	94.1	Very high	93.9	Very high	60 Å²	60	45.3 Å²	45.3	39%	0.39	28%	0.28	S	S	.	.			trans	-81.2	-19	-173	34.9	-36.9	0	0	0	113.3	R409 E410 N445	R409-P476 PolarHBondContact NH2-O 2.8Å; E410-P476 HydrophobicContact CG-CB 3.84Å; E410-P476 HydrophobicContact CG-CG 4.13Å; N445-P476 HydrophobicContact CB-CG 3.56Å
477	D	95.4	Very high	94	Very high	9 Å²	9	46 Å²	46	5%	0.048	29%	0.285	C	S	.	.	S	Bend	trans	-68.2	167.9	-174.4	-61.5	4	0	0	0	111.5	N443 D444 N445 D475 N481 G482	N443-D477 WeakPolarHBondContact CA-OD2 3.32Å; D444-D477 PolarHBondContact N-OD2 2.95Å; D444-D477 VanDerWaalsContact N-OD2 3.07Å; N445-D477 VanDerWaalsContact CB-OD1 3.28Å; N445-D477 WeakPolarHBondContact CB-OD1 3.12Å; N445-D477 PolarHBondContact N-OD2 3.34Å; N445-D477 VanDerWaalsContact N-OD2 3.1Å; N445-D477 PolarHBondContact ND2-OD1 2.71Å; D475-D477 PolarHBondContact OD1-N 2.86Å; D477-N481 HydrophobicContact CB-CB 3.61Å; D477-G482 WeakPolarHBondContact O-CA 3.1Å; D477-G482 PolarHBondContact O-N 3.03Å
478	L	92.8	Very high	94.1	Very high	107 Å²	107	43.6 Å²	43.6	56%	0.56	27%	0.268	S	S	*	.			trans	-99.2	141.1	-168.1	-166.2	64.1	0	0	0	113.4	D441 M480 N481	D441-L478 HydrophobicContact CB-CB 3.87Å; D441-L478 WeakPolarHBondContact OD1-CA 3.27Å; D441-L478 WeakPolarHBondContact OD1-CB 3.24Å; D441-L478 PolarHBondContact OD1-N 2.96Å; D441-L478 PolarHBondContact OD2-N 3.41Å; D441-L478 VanDerWaalsContact OD2-N 3.12Å; L478-M480 PolarHBondContact O-N 2.69Å; L478-N481 PolarHBondContact O-N 3.33Å
479	G	91.7	Very high	94.1	Very high	51 Å²	51	45 Å²	45	53%	0.526	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	64	-120.3	170.2	0	0	0	0	0	112.2	N481 T483	G479-N481 VanDerWaalsContact C-N 3.28Å; G479-N481 PolarHBondContact O-N 2.97Å; G479-T483 WeakPolarHBondContact O-CB 3.18Å; G479-T483 PolarHBondContact O-N 3.01Å; G479-T483 PolarHBondContact O-OG1 2.77Å
480	M	91.5	Very high	94	Very high	127 Å²	127	49.4 Å²	49.4	63%	0.626	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-26.6	-178.7	-70.8	-170.5	65	0	0	113.4	L478 T483 N533	L478-M480 PolarHBondContact O-N 2.69Å; M480-T483 PolarHBondContact O-N 2.9Å; M480-N533 HydrophobicContact CB-CB 4.45Å; M480-N533 HydrophobicContact CE-CB 4.01Å; M480-N533 CarbonylContact O-C 3.58Å; M480-N533 WeakPolarHBondContact O-CA 3.47Å; M480-N533 WeakPolarHBondContact O-CB 3.26Å; M480-N533 PolarHBondContact O-N 3.38Å; M480-N533 VanDerWaalsContact O-N 3.15Å
481	N	92.2	Very high	93.8	Very high	30 Å²	30	48 Å²	48	16%	0.16	30%	0.298	C	S	.	.	S	Bend	trans	-68.9	-55.4	176.9	-61.5	-12.6	0	0	0	108.9	D441 N443 D477 L478 G479 T483 D532	D441-N481 PolarHBondContact OD2-ND2 2.93Å; N443-N481 HydrophobicContact CB-CB 4.09Å; N443-N481 WeakPolarHBondContact OD1-CA 3.07Å; N443-N481 WeakPolarHBondContact OD1-CB 3.49Å; N443-N481 VanDerWaalsContact OD1-CG 3.29Å; N443-N481 PolarHBondContact OD1-OD1 2.76Å; D477-N481 HydrophobicContact CB-CB 3.61Å; L478-N481 PolarHBondContact O-N 3.33Å; G479-N481 VanDerWaalsContact C-N 3.28Å; G479-N481 PolarHBondContact O-N 2.97Å; N481-T483 PolarHBondContact O-N 2.87Å; N481-D532 WeakPolarHBondContact O-CB 3.13Å
482	G	91.7	Very high	93.5	Very high	20 Å²	20	54.5 Å²	54.5	21%	0.206	33%	0.328	C	S	.	.	S	Bend	trans	-66.8	-1	172.2	0	0	0	0	0	117.1	D477 V484	D477-G482 WeakPolarHBondContact O-CA 3.1Å; D477-G482 PolarHBondContact O-N 3.03Å; G482-V484 PolarHBondContact O-N 3.26Å
483	T	93.8	Very high	93.3	Very high	73 Å²	73	52.9 Å²	52.9	45%	0.448	32%	0.315	S	S	.	.			trans	-85.5	93.9	-176.9	-65.4	0	0	0	0	111.3	G479 M480 N481 D532 N533	G479-T483 WeakPolarHBondContact O-CB 3.18Å; G479-T483 PolarHBondContact O-N 3.01Å; G479-T483 PolarHBondContact O-OG1 2.77Å; M480-T483 PolarHBondContact O-N 2.9Å; N481-T483 PolarHBondContact O-N 2.87Å; T483-D532 CarbonylContact O-C 3.51Å; T483-D532 WeakPolarHBondContact O-CA 3.32Å; T483-N533 PolarHBondContact O-N 2.86Å; T483-N533 PolarHBondContact O-ND2 2.96Å
484	V	94.3	Very high	92.8	Very high	29 Å²	29	57.6 Å²	57.6	18%	0.176	34%	0.335	C	S	.	.			trans	-72.7	133.1	179.5	-170.5	0	0	0	0	113.1	P447 A473 D475 G482 Y486 A530	P447-V484 HydrophobicContact CB-CG1 3.99Å; P447-V484 HydrophobicContact CB-CG2 3.9Å; P447-V484 HydrophobicContact CG-CG1 4.47Å; P447-V484 HydrophobicContact CG-CG2 4.27Å; A473-V484 HydrophobicContact CB-CG1 4.29Å; D475-V484 HydrophobicContact CB-CG2 3.63Å; G482-V484 PolarHBondContact O-N 3.26Å; V484-Y486 HydrophobicContact CG1-CE1 4.06Å; V484-Y486 HydrophobicContact CG1-CE2 3.95Å; V484-A530 HydrophobicContact CG1-CB 3.85Å
485	S	94.1	Very high	92.3	Very high	32 Å²	32	60.8 Å²	60.8	22%	0.224	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	151.1	168.7	69.3	0	0	0	0	111.1	A530 R531	S485-A530 WeakPolarHBondContact O-CA 3.19Å; S485-R531 PolarHBondContact N-O 3.26Å; S485-R531 PolarHBondContact O-N 3.49Å; S485-R531 PolarHBondContact OG-O 2.71Å
486	Y	95.6	Very high	91.9	Very high	27 Å²	27	63.2 Å²	63.2	11%	0.106	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	141.2	-176.4	-54.5	-95.2	0	0	0	112.3	F449 V471 A473 V484 P506 G508 V528 L529 A530	F449-Y486 HydrophobicContact CE1-CD1 4.04Å; F449-Y486 AromaticContact CE1-CE1 3.92Å; F449-Y486 HydrophobicContact CE1-CE1 3.92Å; F449-Y486 HydrophobicContact CZ-CD1 4.25Å; F449-Y486 HydrophobicContact CZ-CE1 4.4Å; V471-Y486 HydrophobicContact CG2-CD1 3.83Å; V471-Y486 HydrophobicContact CG2-CE1 4.14Å; A473-Y486 HydrophobicContact CB-CE1 4.05Å; A473-Y486 PolarHBondContact N-OH 2.88Å; A473-Y486 PolarHBondContact O-OH 3.15Å; A473-Y486 VanDerWaalsContact O-OH 3.06Å; V484-Y486 HydrophobicContact CG1-CE1 4.06Å; V484-Y486 HydrophobicContact CG1-CE2 3.95Å; Y486-P506 WeakPolarHBondContact CD2-O 3.22Å; Y486-G508 VanDerWaalsContact CD2-N 3.33Å; Y486-V528 HydrophobicContact CD1-CG1 4.41Å; Y486-L529 WeakPolarHBondContact CA-O 3.19Å; Y486-A530 HydrophobicContact CD1-CB 4.13Å; Y486-A530 HydrophobicContact CE1-CB 4.07Å
487	S	95.1	Very high	91.8	Very high	49 Å²	49	63.6 Å²	63.6	34%	0.343	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	156.8	176.1	54.6	0	0	0	0	111.8	V528 L529	S487-V528 WeakPolarHBondContact O-CA 3.41Å; S487-V528 WeakPolarHBondContact O-CG1 3.45Å; S487-L529 PolarHBondContact N-O 3.39Å; S487-L529 PolarHBondContact O-N 2.93Å
488	I	95.3	Very high	91.7	Very high	15 Å²	15	63.4 Å²	63.4	8%	0.077	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	133.2	173.2	-74.6	158.7	0	0	0	108.9	V498 V502 I504 F526	I488-V498 HydrophobicContact CG2-CB 4.11Å; I488-V498 HydrophobicContact CG2-CG1 3.59Å; I488-V502 HydrophobicContact CD1-CG2 4.06Å; I488-V502 WeakPolarHBondContact CD1-O 3.4Å; I488-I504 HydrophobicContact CD1-CB 4.23Å; I488-I504 HydrophobicContact CD1-CG2 4.09Å; I488-I504 HydrophobicContact CG1-CB 4.21Å; I488-I504 HydrophobicContact CG1-CG2 3.8Å; I488-F526 HydrophobicContact CG1-CD2 4.45Å; I488-F526 HydrophobicContact CG1-CE2 4.38Å
489	V	94.4	Very high	91.7	Very high	50 Å²	50	61.9 Å²	61.9	30%	0.303	35%	0.351	S	S	.	.	P	Polyproline II helix	trans	-72.2	127.9	171.5	-179.2	0	0	0	0	108.5	G491 K527 L529	V489-G491 PolarHBondContact O-N 3.42Å; V489-K527 HydrophobicContact CB-CB 3.97Å; V489-K527 HydrophobicContact CG2-CB 3.85Å; V489-K527 PolarHBondContact N-O 3.11Å; V489-L529 HydrophobicContact CG2-CB 3.95Å
490	P	92.6	Very high	91.7	Very high	110 Å²	110	62.4 Å²	62.4	71%	0.714	34%	0.344	S	S	*	.	P	Polyproline II helix	trans	-54.3	136	177.3	-27.6	35.6	0	0	0	112.8
491	G	90.3	Very high	91.8	Very high	30 Å²	30	56.6 Å²	56.6	31%	0.309	32%	0.315	S	S	.	.			trans	178.5	174.7	-175.5	0	0	0	0	0	112.1	V489 D497 V498	V489-G491 PolarHBondContact O-N 3.42Å; G491-D497 WeakPolarHBondContact O-CA 3.47Å; G491-V498 WeakPolarHBondContact O-CG2 3.46Å; G491-V498 PolarHBondContact O-N 2.91Å
492	E	90.3	Very high	91.9	Very high	142 Å²	142	55.1 Å²	55.1	66%	0.664	31%	0.307	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.4	138	-175.2	-68.2	177.7	-155.4	0	0	112.8	H495 M496	E492-H495 IonicContact OE2-ND1 2.68Å; E492-M496 CarbonylContact C-O 3.57Å; E492-M496 VanDerWaalsContact CA-O 3.27Å; E492-M496 WeakPolarHBondContact CA-O 3.31Å
493	I	89.5	Confident	92.1	Very high	11 Å²	11	55.8 Å²	55.8	6%	0.056	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	113.8	165	-62.7	160.6	0	0	0	106.8	H495 M496 V498 Y501 T521 F524	I493-H495 VanDerWaalsContact C-N 3.34Å; I493-H495 PolarHBondContact O-N 2.91Å; I493-M496 PolarHBondContact N-O 2.87Å; I493-M496 PolarHBondContact O-N 2.8Å; I493-V498 HydrophobicContact CD1-CB 4.32Å; I493-V498 HydrophobicContact CD1-CG1 4.29Å; I493-V498 HydrophobicContact CD1-CG2 3.84Å; I493-V498 HydrophobicContact CG1-CG2 3.91Å; I493-Y501 HydrophobicContact CB-CD2 3.91Å; I493-Y501 HydrophobicContact CB-CE2 3.63Å; I493-Y501 HydrophobicContact CD1-CD2 3.91Å; I493-Y501 HydrophobicContact CD1-CE2 4.48Å; I493-Y501 HydrophobicContact CD1-CG 4.1Å; I493-Y501 HydrophobicContact CG2-CD2 4.18Å; I493-Y501 HydrophobicContact CG2-CE1 4.26Å; I493-Y501 HydrophobicContact CG2-CE2 3.69Å; I493-T521 HydrophobicContact CG2-CG2 4.36Å; I493-F524 HydrophobicContact CD1-CB 4.1Å; I493-F524 HydrophobicContact CD1-CD2 3.43Å; I493-F524 VanDerWaalsContact CD1-CD2 3.43Å; I493-F524 HydrophobicContact CD1-CE2 4.04Å; I493-F524 HydrophobicContact CD1-CG 3.97Å; I493-F524 HydrophobicContact CG1-CB 4.2Å; I493-F524 HydrophobicContact CG1-CD2 4.41Å; I493-F524 HydrophobicContact CG2-CB 3.77Å; I493-F524 HydrophobicContact CG2-CG 4.28Å
494	K	84.5	Confident	92.2	Very high	107 Å²	107	53.6 Å²	53.6	47%	0.465	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	48	49	-177.5	-60	-159.2	176.4	-156.7	0	114.1	M496 Y520 T521	K494-M496 PolarHBondContact O-N 3.4Å; K494-Y520 HydrophobicContact CD-CE1 3.99Å; K494-Y520 WeakPolarHBondContact CE-O 3.41Å; K494-Y520 PolarHBondContact NZ-O 3.34Å; K494-T521 WeakPolarHBondContact CD-OG1 3.41Å; K494-T521 WeakPolarHBondContact CE-OG1 3.49Å
495	H	84.3	Confident	92.1	Very high	174 Å²	174	55.5 Å²	55.5	81%	0.806	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.2	19.1	-179.7	-46.2	-59.4	0	0	0	115.5	E492 I493	E492-H495 IonicContact OE2-ND1 2.68Å; I493-H495 VanDerWaalsContact C-N 3.34Å; I493-H495 PolarHBondContact O-N 2.91Å
496	M	87.2	Confident	91.9	Very high	74 Å²	74	58.5 Å²	58.5	37%	0.365	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	148.5	165.5	-51.1	-171.6	79.7	0	0	109.8	E492 I493 K494 T500 Y501 R514	E492-M496 CarbonylContact C-O 3.57Å; E492-M496 VanDerWaalsContact CA-O 3.27Å; E492-M496 WeakPolarHBondContact CA-O 3.31Å; I493-M496 PolarHBondContact N-O 2.87Å; I493-M496 PolarHBondContact O-N 2.8Å; K494-M496 PolarHBondContact O-N 3.4Å; M496-T500 HydrophobicContact CE-CG2 4.33Å; M496-Y501 HydrophobicContact CB-CE2 4.07Å; M496-R514 PolarHBondContact SD-NH2 2.72Å
497	D	91.8	Very high	91.7	Very high	68 Å²	68	61.1 Å²	61.1	36%	0.364	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	140.8	177.5	-175	-78	0	0	0	111.9	G491 N499 T500	G491-D497 WeakPolarHBondContact O-CA 3.47Å; D497-N499 PolarHBondContact O-N 2.79Å; D497-N499 WeakPolarHBondContact OD1-CB 3.45Å; D497-N499 PolarHBondContact OD1-N 2.94Å; D497-N499 PolarHBondContact OD1-ND2 2.91Å; D497-T500 VanDerWaalsContact O-CB 3.28Å; D497-T500 WeakPolarHBondContact O-CB 3.46Å; D497-T500 PolarHBondContact O-N 3.39Å; D497-T500 PolarHBondContact O-OG1 2.74Å
498	V	93.5	Very high	91.6	Very high	5 Å²	5	58.8 Å²	58.8	3%	0.03	33%	0.328	C	S	.	.	G	3₁₀ helix	trans	-53.6	-36.7	-179.8	172	0	0	0	0	112.7	I488 G491 I493 T500 Y501 V502 F526	I488-V498 HydrophobicContact CG2-CB 4.11Å; I488-V498 HydrophobicContact CG2-CG1 3.59Å; G491-V498 WeakPolarHBondContact O-CG2 3.46Å; G491-V498 PolarHBondContact O-N 2.91Å; I493-V498 HydrophobicContact CD1-CB 4.32Å; I493-V498 HydrophobicContact CD1-CG1 4.29Å; I493-V498 HydrophobicContact CD1-CG2 3.84Å; I493-V498 HydrophobicContact CG1-CG2 3.91Å; V498-T500 PolarHBondContact O-N 2.82Å; V498-T500 VanDerWaalsContact O-N 3.09Å; V498-Y501 PolarHBondContact O-N 2.97Å; V498-V502 HydrophobicContact CG1-CG2 3.65Å; V498-V502 PolarHBondContact O-N 2.8Å; V498-F526 HydrophobicContact CG1-CB 3.68Å; V498-F526 HydrophobicContact CG1-CD2 4.11Å; V498-F526 HydrophobicContact CG1-CG 3.9Å; V498-F526 HydrophobicContact CG2-CB 4.05Å
499	N	92.1	Very high	91.6	Very high	76 Å²	76	64.5 Å²	64.5	41%	0.406	35%	0.348	S	S	.	.	G	3₁₀ helix	trans	-64.2	-16	179.7	-60.2	-79.5	0	0	0	112.6	D497 Y501 V502	D497-N499 PolarHBondContact O-N 2.79Å; D497-N499 WeakPolarHBondContact OD1-CB 3.45Å; D497-N499 PolarHBondContact OD1-N 2.94Å; D497-N499 PolarHBondContact OD1-ND2 2.91Å; N499-Y501 VanDerWaalsContact C-N 3.35Å; N499-V502 CarbonylContact C-O 3.58Å; N499-V502 VanDerWaalsContact CA-O 3.28Å; N499-V502 WeakPolarHBondContact CA-O 3.46Å
500	T	91.6	Very high	91.7	Very high	61 Å²	61	62.1 Å²	62.1	37%	0.374	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	-81.1	-12.1	172.9	-16.4	0	0	0	0	113.4	M496 D497 V498 R514	M496-T500 HydrophobicContact CE-CG2 4.33Å; D497-T500 VanDerWaalsContact O-CB 3.28Å; D497-T500 WeakPolarHBondContact O-CB 3.46Å; D497-T500 PolarHBondContact O-N 3.39Å; D497-T500 PolarHBondContact O-OG1 2.74Å; V498-T500 PolarHBondContact O-N 2.82Å; V498-T500 VanDerWaalsContact O-N 3.09Å; T500-R514 VanDerWaalsContact CG2-NH2 3.34Å; T500-R514 PolarHBondContact O-NE 3.38Å; T500-R514 PolarHBondContact O-NH2 3.2Å
501	Y	93.1	Very high	91.9	Very high	5 Å²	5	59.5 Å²	59.5	2%	0.02	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104	-42.6	174.4	-75.9	-94.4	0	0	0	112.1	I493 M496 V498 N499 M513 R514 F516 F524	I493-Y501 HydrophobicContact CB-CD2 3.91Å; I493-Y501 HydrophobicContact CB-CE2 3.63Å; I493-Y501 HydrophobicContact CD1-CD2 3.91Å; I493-Y501 HydrophobicContact CD1-CE2 4.48Å; I493-Y501 HydrophobicContact CD1-CG 4.1Å; I493-Y501 HydrophobicContact CG2-CD2 4.18Å; I493-Y501 HydrophobicContact CG2-CE1 4.26Å; I493-Y501 HydrophobicContact CG2-CE2 3.69Å; M496-Y501 HydrophobicContact CB-CE2 4.07Å; V498-Y501 PolarHBondContact O-N 2.97Å; N499-Y501 VanDerWaalsContact C-N 3.35Å; Y501-M513 PolarHBondContact O-N 2.69Å; Y501-R514 HydrophobicContact CD1-CG 4.41Å; Y501-F516 HydrophobicContact CD1-CD1 4.26Å; Y501-F516 HydrophobicContact CD1-CE1 4.11Å; Y501-F524 HydrophobicContact CD1-CE1 4.42Å; Y501-F524 HydrophobicContact CD1-CZ 4.47Å
502	V	95.1	Very high	92.1	Very high	0 Å²	0	58 Å²	58	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	151.9	-173.2	-71	0	0	0	0	111.5	L468 I488 V498 N499 I510 Y511 F516 F524 F526	L468-V502 HydrophobicContact CD1-CG1 3.84Å; I488-V502 HydrophobicContact CD1-CG2 4.06Å; I488-V502 WeakPolarHBondContact CD1-O 3.4Å; V498-V502 HydrophobicContact CG1-CG2 3.65Å; V498-V502 PolarHBondContact O-N 2.8Å; N499-V502 CarbonylContact C-O 3.58Å; N499-V502 VanDerWaalsContact CA-O 3.28Å; N499-V502 WeakPolarHBondContact CA-O 3.46Å; V502-I510 HydrophobicContact CB-CG2 4.22Å; V502-I510 HydrophobicContact CG1-CG2 4.37Å; V502-Y511 CarbonylContact C-O 3.59Å; V502-Y511 WeakPolarHBondContact CA-O 2.98Å; V502-F516 HydrophobicContact CG1-CZ 4.19Å; V502-F524 HydrophobicContact CG1-CE2 4.17Å; V502-F524 HydrophobicContact CG1-CZ 4.36Å; V502-F526 HydrophobicContact CB-CZ 4.37Å; V502-F526 HydrophobicContact CG1-CE1 4.27Å; V502-F526 HydrophobicContact CG1-CZ 4.41Å; V502-F526 HydrophobicContact CG2-CD1 4.16Å; V502-F526 HydrophobicContact CG2-CD2 4.29Å; V502-F526 HydrophobicContact CG2-CE1 3.86Å; V502-F526 HydrophobicContact CG2-CE2 4Å; V502-F526 HydrophobicContact CG2-CG 4.37Å; V502-F526 HydrophobicContact CG2-CZ 3.78Å
503	S	95.1	Very high	92.3	Very high	34 Å²	34	56 Å²	56	24%	0.238	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	162.4	168.5	60.8	0	0	0	0	110.3	I510 Y511 M513	S503-I510 CarbonylContact O-C 3.58Å; S503-I510 WeakPolarHBondContact O-CA 3.2Å; S503-Y511 PolarHBondContact N-O 2.9Å; S503-Y511 PolarHBondContact O-N 2.97Å; S503-M513 VanDerWaalsContact CB-SD 3.56Å; S503-M513 PolarHBondContact OG-SD 3.37Å
504	I	95.9	Very high	92.4	Very high	26 Å²	26	58.3 Å²	58.3	13%	0.133	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	135.5	176.5	-164.4	169.8	0	0	0	110.4	V471 I488 R509 I510 V528	V471-I504 HydrophobicContact CG2-CD1 4.07Å; I488-I504 HydrophobicContact CD1-CB 4.23Å; I488-I504 HydrophobicContact CD1-CG2 4.09Å; I488-I504 HydrophobicContact CG1-CB 4.21Å; I488-I504 HydrophobicContact CG1-CG2 3.8Å; I504-R509 WeakPolarHBondContact CA-O 3.49Å; I504-R509 WeakPolarHBondContact CG1-O 3.37Å; I504-I510 HydrophobicContact CB-CG1 4.39Å; I504-I510 HydrophobicContact CD1-CD1 4.31Å; I504-I510 HydrophobicContact CD1-CG1 3.82Å; I504-I510 HydrophobicContact CG1-CG1 3.88Å; I504-V528 HydrophobicContact CD1-CB 4.41Å; I504-V528 HydrophobicContact CD1-CG1 3.42Å; I504-V528 VanDerWaalsContact CD1-CG1 3.42Å; I504-V528 HydrophobicContact CD1-CG2 4.03Å
505	N	93.4	Very high	92.9	Very high	69 Å²	69	56 Å²	56	37%	0.369	29%	0.292	S	S	.	.			trans	-81.3	152.2	169.8	-81	-19.5	0	0	0	110.3	S507 G508 R509 Y511	N505-S507 PolarHBondContact O-N 2.83Å; N505-G508 PolarHBondContact O-N 2.9Å; N505-R509 PolarHBondContact N-O 2.8Å; N505-Y511 HydrophobicContact CB-CE2 4.27Å; N505-Y511 WeakPolarHBondContact ND2-CE2 3.43Å; N505-Y511 PolarHBondContact ND2-OH 2.83Å
506	P	90.3	Very high	93.3	Very high	96 Å²	96	48 Å²	48	62%	0.623	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-5.3	174.6	-26.5	35.6	0	0	0	115.8	Y486	Y486-P506 WeakPolarHBondContact CD2-O 3.22Å
507	S	90.7	Very high	93.6	Very high	81 Å²	81	48.2 Å²	48.2	57%	0.566	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99	14	173.1	54.5	0	0	0	0	114.4	N505 R509	N505-S507 PolarHBondContact O-N 2.83Å; S507-R509 VanDerWaalsContact C-N 3.32Å; S507-R509 PolarHBondContact O-N 2.98Å
508	G	92.4	Very high	93.6	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.244	C	C	.	.	S	Bend	trans	81.8	-1.9	173.4	0	0	0	0	0	115.8	A470 V471 Y486 N505	A470-G508 WeakPolarHBondContact CA-O 3.21Å; V471-G508 WeakPolarHBondContact CG2-O 3.33Å; V471-G508 PolarHBondContact N-O 2.97Å; Y486-G508 VanDerWaalsContact CD2-N 3.33Å; N505-G508 PolarHBondContact O-N 2.9Å
509	R	95.6	Very high	93.5	Very high	135 Å²	135	48.2 Å²	48.2	51%	0.509	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	129.4	174	-74.9	-171	170	115.1	0.9	111.8	A470 I504 N505 S507 Y511	A470-R509 HydrophobicContact CB-CG 4.15Å; I504-R509 WeakPolarHBondContact CA-O 3.49Å; I504-R509 WeakPolarHBondContact CG1-O 3.37Å; N505-R509 PolarHBondContact N-O 2.8Å; S507-R509 VanDerWaalsContact C-N 3.32Å; S507-R509 PolarHBondContact O-N 2.98Å; R509-Y511 HydrophobicContact CB-CE2 3.58Å; R509-Y511 WeakPolarHBondContact CD-OH 3.44Å; R509-Y511 WeakPolarHBondContact O-CE2 3.42Å
510	I	96.3	Very high	93.4	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	139.5	180	-58	-179.6	0	0	0	109.7	C467 L468 L469 V471 V502 S503 I504 F526 V528 V544	C467-I510 WeakPolarHBondContact CA-O 3.47Å; C467-I510 PolarHBondContact SG-O 3.2Å; C467-I510 VanDerWaalsContact SG-O 3.4Å; L468-I510 HydrophobicContact CD1-CG2 4.44Å; L468-I510 PolarHBondContact N-O 2.62Å; L469-I510 HydrophobicContact CD1-CD1 3.77Å; L469-I510 HydrophobicContact CD1-CG1 4.36Å; L469-I510 HydrophobicContact CG-CD1 4.16Å; L469-I510 PolarHBondContact O-N 3.06Å; V471-I510 HydrophobicContact CG1-CD1 4.08Å; V502-I510 HydrophobicContact CB-CG2 4.22Å; V502-I510 HydrophobicContact CG1-CG2 4.37Å; S503-I510 CarbonylContact O-C 3.58Å; S503-I510 WeakPolarHBondContact O-CA 3.2Å; I504-I510 HydrophobicContact CB-CG1 4.39Å; I504-I510 HydrophobicContact CD1-CD1 4.31Å; I504-I510 HydrophobicContact CD1-CG1 3.82Å; I504-I510 HydrophobicContact CG1-CG1 3.88Å; I510-F526 HydrophobicContact CD1-CE2 4.11Å; I510-F526 HydrophobicContact CD1-CZ 3.96Å; I510-F526 HydrophobicContact CG2-CZ 4.05Å; I510-V528 HydrophobicContact CD1-CG2 4Å; I510-V544 HydrophobicContact CD1-CG1 4.3Å; I510-V544 HydrophobicContact CD1-CG2 3.92Å
511	Y	95.9	Very high	93.3	Very high	55 Å²	55	47.6 Å²	47.6	22%	0.216	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	149.2	-178.2	-57.8	-99.3	0	0	0	111.2	S466 C467 V502 S503 N505 R509	S466-Y511 CarbonylContact O-C 3.51Å; S466-Y511 WeakPolarHBondContact O-CA 3.41Å; C467-Y511 HydrophobicContact CB-CD1 3.78Å; C467-Y511 HydrophobicContact CB-CE1 3.65Å; V502-Y511 CarbonylContact C-O 3.59Å; V502-Y511 WeakPolarHBondContact CA-O 2.98Å; S503-Y511 PolarHBondContact N-O 2.9Å; S503-Y511 PolarHBondContact O-N 2.97Å; N505-Y511 HydrophobicContact CB-CE2 4.27Å; N505-Y511 WeakPolarHBondContact ND2-CE2 3.43Å; N505-Y511 PolarHBondContact ND2-OH 2.83Å; R509-Y511 HydrophobicContact CB-CE2 3.58Å; R509-Y511 WeakPolarHBondContact CD-OH 3.44Å; R509-Y511 WeakPolarHBondContact O-CE2 3.42Å
512	S	95.6	Very high	93.3	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	138.1	169.9	61.2	0	0	0	0	111.1	N462 L463 G465 S466 R514	N462-S512 VanDerWaalsContact ND2-CB 3.34Å; N462-S512 WeakPolarHBondContact ND2-CB 3.42Å; N462-S512 PolarHBondContact ND2-OG 2.84Å; L463-S512 PolarHBondContact O-OG 3.39Å; G465-S512 WeakPolarHBondContact CA-O 3.44Å; G465-S512 PolarHBondContact N-O 3.45Å; S466-S512 PolarHBondContact N-OG 3.09Å; S466-S512 PolarHBondContact O-N 3.18Å; S466-S512 PolarHBondContact OG-OG 3.45Å; S512-R514 WeakPolarHBondContact CB-O 3Å
513	M	94.2	Very high	93.2	Very high	100 Å²	100	56.4 Å²	56.4	49%	0.493	29%	0.285	S	S	.	.	S	Bend	trans	-99.9	-6.3	174.2	-65.7	-59.6	-66.4	0	0	113.1	Y501 S503	Y501-M513 PolarHBondContact O-N 2.69Å; S503-M513 VanDerWaalsContact CB-SD 3.56Å; S503-M513 PolarHBondContact OG-SD 3.37Å
514	R	92.4	Very high	93.2	Very high	59 Å²	59	55.3 Å²	55.3	22%	0.223	28%	0.276	C	S	.	.	S	Bend	trans	-147.9	170.6	176.9	60.7	173.3	70.5	-175.9	-0.1	110	M496 T500 Y501 S512 F516	M496-R514 PolarHBondContact SD-NH2 2.72Å; T500-R514 VanDerWaalsContact CG2-NH2 3.34Å; T500-R514 PolarHBondContact O-NE 3.38Å; T500-R514 PolarHBondContact O-NH2 3.2Å; Y501-R514 HydrophobicContact CD1-CG 4.41Å; S512-R514 WeakPolarHBondContact CB-O 3Å; R514-F516 HydrophobicContact CG-CD1 4.01Å; R514-F516 HydrophobicContact CG-CE1 3.93Å
515	S	94	Very high	93.1	Very high	58 Å²	58	57.6 Å²	57.6	41%	0.406	29%	0.288	S	S	.	.			trans	-69.4	142.8	154.8	47.2	0	0	0	0	109.6	N462	N462-S515 VanDerWaalsContact O-CA 3.25Å; N462-S515 WeakPolarHBondContact O-CA 3.46Å; N462-S515 VanDerWaalsContact O-CB 3.31Å; N462-S515 WeakPolarHBondContact O-CB 3.46Å
516	F	94.1	Very high	93.2	Very high	7 Å²	7	54.8 Å²	54.8	3%	0.031	27%	0.272	C	S	.	.			trans	-91.1	162.4	167	-51.1	-42.4	0	0	0	109.9	V458 N461 N462 L468 Y501 V502 R514 F524 I546 V548	V458-F516 HydrophobicContact CB-CD2 4.46Å; V458-F516 HydrophobicContact CG1-CD2 4Å; V458-F516 HydrophobicContact CG1-CE2 4.19Å; N461-F516 PolarHBondContact N-O 2.86Å; N462-F516 VanDerWaalsContact OD1-CD2 3.32Å; N462-F516 WeakPolarHBondContact OD1-CD2 3.45Å; N462-F516 WeakPolarHBondContact OD1-CG 3.47Å; N462-F516 PolarHBondContact OD1-N 2.77Å; L468-F516 HydrophobicContact CD1-CE2 3.92Å; L468-F516 HydrophobicContact CD1-CZ 4.03Å; L468-F516 HydrophobicContact CD2-CE2 4.3Å; Y501-F516 HydrophobicContact CD1-CD1 4.26Å; Y501-F516 HydrophobicContact CD1-CE1 4.11Å; V502-F516 HydrophobicContact CG1-CZ 4.19Å; R514-F516 HydrophobicContact CG-CD1 4.01Å; R514-F516 HydrophobicContact CG-CE1 3.93Å; F516-F524 HydrophobicContact CD1-CE1 4.14Å; F516-F524 HydrophobicContact CD1-CZ 4.3Å; F516-F524 HydrophobicContact CE1-CE1 4.09Å; F516-F524 AromaticContact CE1-CZ 3.78Å; F516-F524 HydrophobicContact CE1-CZ 3.78Å; F516-F524 HydrophobicContact CE2-CZ 4.17Å; F516-F524 HydrophobicContact CG-CE1 4.4Å; F516-F524 HydrophobicContact CZ-CE1 4.28Å; F516-F524 AromaticContact CZ-CZ 3.71Å; F516-F524 HydrophobicContact CZ-CZ 3.71Å; F516-I546 HydrophobicContact CD2-CG2 4.49Å; F516-I546 HydrophobicContact CE2-CG2 4.26Å; F516-V548 HydrophobicContact CB-CG1 3.99Å; F516-V548 HydrophobicContact CB-CG2 3.79Å; F516-V548 HydrophobicContact CD2-CG2 4.32Å; F516-V548 HydrophobicContact CG-CG2 4.19Å
517	D	92.4	Very high	93.5	Very high	78 Å²	78	54.8 Å²	54.8	42%	0.417	26%	0.263	S	S	.	.			trans	-150.3	119.8	-164.4	156.2	-17.7	0	0	0	103.5	E519 Y520 T521	D517-E519 PolarHBondContact OD1-N 2.61Å; D517-Y520 WeakPolarHBondContact OD1-CA 3.37Å; D517-Y520 WeakPolarHBondContact OD1-CB 3.35Å; D517-Y520 PolarHBondContact OD1-N 3.09Å; D517-Y520 WeakPolarHBondContact OD2-CB 3.2Å; D517-T521 CarbonylContact O-C 3.51Å; D517-T521 PolarHBondContact O-N 3.06Å
518	H	92.8	Very high	93.7	Very high	14 Å²	14	51 Å²	51	7%	0.065	24%	0.236	C	C	.	.	H	α-helix	trans	-75.7	-45.7	-169.7	-174.7	82	0	0	0	110.5	E460 Y520 T521 R522 V548 D550 E592	E460-H518 VanDerWaalsContact OE2-CB 3.27Å; E460-H518 WeakPolarHBondContact OE2-CB 3.48Å; E460-H518 PolarHBondContact OE2-N 2.98Å; H518-Y520 PolarHBondContact O-N 2.91Å; H518-T521 CarbonylContact O-C 3.59Å; H518-T521 PolarHBondContact O-N 2.93Å; H518-T521 VanDerWaalsContact O-N 3.14Å; H518-R522 VanDerWaalsContact NE2-CD 3.32Å; H518-R522 WeakPolarHBondContact NE2-CD 3.33Å; H518-R522 WeakPolarHBondContact NE2-CG 3.49Å; H518-R522 PolarHBondContact NE2-NE 3.17Å; H518-R522 WeakPolarHBondContact O-CG 3.18Å; H518-R522 PolarHBondContact O-N 3.45Å; H518-V548 HydrophobicContact CB-CG1 4.17Å; H518-V548 PolarHBondContact CE1-O 3.35Å; H518-V548 PolarHBondContact ND1-O 2.88Å; H518-D550 IonicContact CD2-OD1 2.6Å; H518-D550 PolarHBondContact CD2-OD1 2.99Å; H518-D550 IonicContact CG-OD1 3.62Å; H518-D550 IonicContact NE2-OD1 2.65Å; H518-E592 IonicContact NE2-OE2 2.74Å
519	E	91.4	Very high	93.9	Very high	59 Å²	59	53 Å²	53	28%	0.276	25%	0.247	S	C	.	.	H	α-helix	trans	-57.8	-40.5	-179.2	-73.2	48.9	-96.3	0	0	109.6	D517	D517-E519 PolarHBondContact OD1-N 2.61Å
520	Y	89.4	Confident	93.9	Very high	115 Å²	115	46.6 Å²	46.6	45%	0.451	22%	0.222	S	C	.	.	H	α-helix	trans	-75.8	-55.6	170.8	-162.9	-108.7	0	0	0	112.2	K494 D517 H518	K494-Y520 HydrophobicContact CD-CE1 3.99Å; K494-Y520 WeakPolarHBondContact CE-O 3.41Å; K494-Y520 PolarHBondContact NZ-O 3.34Å; D517-Y520 WeakPolarHBondContact OD1-CA 3.37Å; D517-Y520 WeakPolarHBondContact OD1-CB 3.35Å; D517-Y520 PolarHBondContact OD1-N 3.09Å; D517-Y520 WeakPolarHBondContact OD2-CB 3.2Å; H518-Y520 PolarHBondContact O-N 2.91Å
521	T	90.2	Very high	93.8	Very high	8 Å²	8	52.2 Å²	52.2	5%	0.049	24%	0.244	C	C	.	.	H	α-helix	trans	-144.2	72.2	-172.1	-50.9	0	0	0	0	115.7	I493 K494 D517 H518 T523 F524 V548	I493-T521 HydrophobicContact CG2-CG2 4.36Å; K494-T521 WeakPolarHBondContact CD-OG1 3.41Å; K494-T521 WeakPolarHBondContact CE-OG1 3.49Å; D517-T521 CarbonylContact O-C 3.51Å; D517-T521 PolarHBondContact O-N 3.06Å; H518-T521 CarbonylContact O-C 3.59Å; H518-T521 PolarHBondContact O-N 2.93Å; H518-T521 VanDerWaalsContact O-N 3.14Å; T521-T523 VanDerWaalsContact C-N 3.26Å; T521-T523 PolarHBondContact O-N 2.97Å; T521-T523 VanDerWaalsContact O-N 3.09Å; T521-F524 HydrophobicContact CG2-CB 4.2Å; T521-F524 HydrophobicContact CG2-CD1 3.97Å; T521-V548 VanDerWaalsContact O-CG2 3.25Å; T521-V548 WeakPolarHBondContact O-CG2 3.32Å
522	R	91.7	Very high	93.8	Very high	109 Å²	109	49.7 Å²	49.7	41%	0.411	23%	0.234	S	C	.	.	S	Bend	trans	-39.1	-41.6	168.5	-50.2	-167.5	175.4	175.5	-3.9	116.5	H518 V548 E592	H518-R522 VanDerWaalsContact NE2-CD 3.32Å; H518-R522 WeakPolarHBondContact NE2-CD 3.33Å; H518-R522 WeakPolarHBondContact NE2-CG 3.49Å; H518-R522 PolarHBondContact NE2-NE 3.17Å; H518-R522 WeakPolarHBondContact O-CG 3.18Å; H518-R522 PolarHBondContact O-N 3.45Å; R522-V548 PolarHBondContact O-N 3.02Å; R522-E592 IonicContact CZ-OE2 3.55Å; R522-E592 IonicContact NE-OE2 3.84Å; R522-E592 IonicContact NH1-OE2 3.35Å; R522-E592 PolarHBondContact NH1-OE2 2.86Å; R522-E592 IonicContact NH2-OE2 3.75Å
523	T	94	Very high	93.6	Very high	82 Å²	82	53 Å²	53	50%	0.503	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	143.9	179.3	59.2	0	0	0	0	112	T521 I546 V547	T521-T523 VanDerWaalsContact C-N 3.26Å; T521-T523 PolarHBondContact O-N 2.97Å; T521-T523 VanDerWaalsContact O-N 3.09Å; T523-I546 WeakPolarHBondContact CA-O 3.34Å; T523-V547 HydrophobicContact CG2-CG1 4.29Å; T523-V547 HydrophobicContact CG2-CG2 4.3Å
524	F	94.3	Very high	93.4	Very high	11 Å²	11	48.4 Å²	48.4	5%	0.048	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	143.4	167.9	59.8	-90.7	0	0	0	112.5	I493 Y501 V502 F516 T521 F526 I546 V548	I493-F524 HydrophobicContact CD1-CB 4.1Å; I493-F524 HydrophobicContact CD1-CD2 3.43Å; I493-F524 VanDerWaalsContact CD1-CD2 3.43Å; I493-F524 HydrophobicContact CD1-CE2 4.04Å; I493-F524 HydrophobicContact CD1-CG 3.97Å; I493-F524 HydrophobicContact CG1-CB 4.2Å; I493-F524 HydrophobicContact CG1-CD2 4.41Å; I493-F524 HydrophobicContact CG2-CB 3.77Å; I493-F524 HydrophobicContact CG2-CG 4.28Å; Y501-F524 HydrophobicContact CD1-CE1 4.42Å; Y501-F524 HydrophobicContact CD1-CZ 4.47Å; V502-F524 HydrophobicContact CG1-CE2 4.17Å; V502-F524 HydrophobicContact CG1-CZ 4.36Å; F516-F524 HydrophobicContact CD1-CE1 4.14Å; F516-F524 HydrophobicContact CD1-CZ 4.3Å; F516-F524 HydrophobicContact CE1-CE1 4.09Å; F516-F524 AromaticContact CE1-CZ 3.78Å; F516-F524 HydrophobicContact CE1-CZ 3.78Å; F516-F524 HydrophobicContact CE2-CZ 4.17Å; F516-F524 HydrophobicContact CG-CE1 4.4Å; F516-F524 HydrophobicContact CZ-CE1 4.28Å; F516-F524 AromaticContact CZ-CZ 3.71Å; F516-F524 HydrophobicContact CZ-CZ 3.71Å; T521-F524 HydrophobicContact CG2-CB 4.2Å; T521-F524 HydrophobicContact CG2-CD1 3.97Å; F524-F526 HydrophobicContact CD2-CD1 4.09Å; F524-F526 HydrophobicContact CE2-CD1 4.1Å; F524-F526 HydrophobicContact CE2-CE1 4.12Å; F524-I546 HydrophobicContact CD1-CB 4.22Å; F524-I546 HydrophobicContact CD2-CB 4.17Å; F524-I546 HydrophobicContact CD2-CG1 4.25Å; F524-I546 HydrophobicContact CE1-CB 3.79Å; F524-I546 HydrophobicContact CE1-CG1 4.41Å; F524-I546 HydrophobicContact CE1-CG2 3.78Å; F524-I546 HydrophobicContact CE2-CB 3.75Å; F524-I546 HydrophobicContact CE2-CG1 3.55Å; F524-I546 HydrophobicContact CE2-CG2 4.45Å; F524-I546 HydrophobicContact CG-CB 4.41Å; F524-I546 HydrophobicContact CZ-CB 3.55Å; F524-I546 HydrophobicContact CZ-CG1 3.65Å; F524-I546 HydrophobicContact CZ-CG2 3.75Å; F524-I546 PolarHBondContact N-O 2.78Å; F524-I546 PolarHBondContact O-N 3.38Å; F524-V548 HydrophobicContact CE1-CG2 4.21Å
525	D	94.9	Very high	93	Very high	74 Å²	74	52.8 Å²	52.8	40%	0.396	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	136.1	176.9	-68.6	-10.3	0	0	0	109.5	T543 V544 R545	D525-T543 HydrophobicContact CB-CG2 4.3Å; D525-V544 WeakPolarHBondContact CA-O 3.38Å; D525-R545 WeakPolarHBondContact OD1-CA 3.47Å; D525-R545 WeakPolarHBondContact OD1-CB 3.4Å; D525-R545 WeakPolarHBondContact OD1-CG 3.27Å; D525-R545 IonicContact OD1-CZ 3.16Å; D525-R545 IonicContact OD1-NE 2.95Å; D525-R545 PolarHBondContact OD1-NE 2.56Å; D525-R545 IonicContact OD1-NH2 2.69Å; D525-R545 IonicContact OD2-CZ 2.68Å; D525-R545 IonicContact OD2-NE 3.12Å; D525-R545 IonicContact OD2-NH2 3.38Å; D525-R545 PolarHBondContact OD2-NH2 3Å
526	F	95	Very high	92.8	Very high	9 Å²	9	55.2 Å²	55.2	4%	0.039	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	170.3	170	64.9	-84.4	0	0	0	111	I488 V498 V502 I510 F524 V528 V544 I546	I488-F526 HydrophobicContact CG1-CD2 4.45Å; I488-F526 HydrophobicContact CG1-CE2 4.38Å; V498-F526 HydrophobicContact CG1-CB 3.68Å; V498-F526 HydrophobicContact CG1-CD2 4.11Å; V498-F526 HydrophobicContact CG1-CG 3.9Å; V498-F526 HydrophobicContact CG2-CB 4.05Å; V502-F526 HydrophobicContact CB-CZ 4.37Å; V502-F526 HydrophobicContact CG1-CE1 4.27Å; V502-F526 HydrophobicContact CG1-CZ 4.41Å; V502-F526 HydrophobicContact CG2-CD1 4.16Å; V502-F526 HydrophobicContact CG2-CD2 4.29Å; V502-F526 HydrophobicContact CG2-CE1 3.86Å; V502-F526 HydrophobicContact CG2-CE2 4Å; V502-F526 HydrophobicContact CG2-CG 4.37Å; V502-F526 HydrophobicContact CG2-CZ 3.78Å; I510-F526 HydrophobicContact CD1-CE2 4.11Å; I510-F526 HydrophobicContact CD1-CZ 3.96Å; I510-F526 HydrophobicContact CG2-CZ 4.05Å; F524-F526 HydrophobicContact CD2-CD1 4.09Å; F524-F526 HydrophobicContact CE2-CD1 4.1Å; F524-F526 HydrophobicContact CE2-CE1 4.12Å; F526-V528 HydrophobicContact CD2-CG2 4.24Å; F526-V528 HydrophobicContact CE2-CG2 3.78Å; F526-V544 HydrophobicContact CD1-CB 4.28Å; F526-V544 HydrophobicContact CD1-CG1 4.39Å; F526-V544 HydrophobicContact CD2-CB 4.32Å; F526-V544 HydrophobicContact CE1-CB 3.85Å; F526-V544 HydrophobicContact CE1-CG1 3.57Å; F526-V544 HydrophobicContact CE2-CB 3.88Å; F526-V544 HydrophobicContact CE2-CG1 4.21Å; F526-V544 HydrophobicContact CE2-CG2 4.19Å; F526-V544 HydrophobicContact CZ-CB 3.63Å; F526-V544 HydrophobicContact CZ-CG1 3.45Å; F526-V544 VanDerWaalsContact CZ-CG1 3.45Å; F526-V544 HydrophobicContact CZ-CG2 4.24Å; F526-V544 PolarHBondContact N-O 2.88Å; F526-V544 PolarHBondContact O-N 2.84Å; F526-I546 HydrophobicContact CE1-CG1 3.98Å
527	K	95.4	Very high	92.8	Very high	97 Å²	97	56.6 Å²	56.6	42%	0.422	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	136.3	179.9	-69.2	-172.2	173.5	-159.6	0	111.5	V489 N541 A542	V489-K527 HydrophobicContact CB-CB 3.97Å; V489-K527 HydrophobicContact CG2-CB 3.85Å; V489-K527 PolarHBondContact N-O 3.11Å; K527-N541 PolarHBondContact NZ-OD1 3.26Å; K527-A542 WeakPolarHBondContact CA-O 3.06Å
528	V	96.2	Very high	92.9	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	132.6	169.6	-178.4	0	0	0	0	108.3	F449 V471 Y486 S487 I504 I510 F526 N541 A542 V544	F449-V528 HydrophobicContact CE1-CG1 4.42Å; F449-V528 HydrophobicContact CZ-CB 4.35Å; F449-V528 HydrophobicContact CZ-CG1 4.09Å; V471-V528 HydrophobicContact CG2-CG1 4.07Å; Y486-V528 HydrophobicContact CD1-CG1 4.41Å; S487-V528 WeakPolarHBondContact O-CA 3.41Å; S487-V528 WeakPolarHBondContact O-CG1 3.45Å; I504-V528 HydrophobicContact CD1-CB 4.41Å; I504-V528 HydrophobicContact CD1-CG1 3.42Å; I504-V528 VanDerWaalsContact CD1-CG1 3.42Å; I504-V528 HydrophobicContact CD1-CG2 4.03Å; I510-V528 HydrophobicContact CD1-CG2 4Å; F526-V528 HydrophobicContact CD2-CG2 4.24Å; F526-V528 HydrophobicContact CE2-CG2 3.78Å; V528-N541 WeakPolarHBondContact O-CA 3.29Å; V528-N541 WeakPolarHBondContact O-CB 3.34Å; V528-A542 PolarHBondContact N-O 2.94Å; V528-A542 PolarHBondContact O-N 2.76Å; V528-V544 HydrophobicContact CG2-CG2 3.74Å
529	L	95.4	Very high	93	Very high	43 Å²	43	57.7 Å²	57.7	23%	0.225	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	130.2	170.9	-168.2	79.6	0	0	0	108.7	Y486 S487 V489 R531 S540	Y486-L529 WeakPolarHBondContact CA-O 3.19Å; S487-L529 PolarHBondContact N-O 3.39Å; S487-L529 PolarHBondContact O-N 2.93Å; V489-L529 HydrophobicContact CG2-CB 3.95Å; L529-R531 HydrophobicContact CD2-CB 4.46Å; L529-S540 WeakPolarHBondContact CA-O 3.27Å; L529-S540 WeakPolarHBondContact CD1-O 3.25Å
530	A	96.2	Very high	93.2	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	134	160.3	0	0	0	0	0	107.8	P447 F449 A473 V484 S485 Y486 S539 S540	P447-A530 HydrophobicContact CB-CB 3.95Å; F449-A530 HydrophobicContact CD2-CB 4.21Å; F449-A530 HydrophobicContact CE1-CB 4.18Å; F449-A530 HydrophobicContact CE2-CB 3.43Å; F449-A530 VanDerWaalsContact CE2-CB 3.43Å; F449-A530 HydrophobicContact CZ-CB 3.43Å; F449-A530 VanDerWaalsContact CZ-CB 3.43Å; A473-A530 HydrophobicContact CB-CB 3.77Å; V484-A530 HydrophobicContact CG1-CB 3.85Å; S485-A530 WeakPolarHBondContact O-CA 3.19Å; Y486-A530 HydrophobicContact CD1-CB 4.13Å; Y486-A530 HydrophobicContact CE1-CB 4.07Å; A530-S539 CarbonylContact O-C 3.58Å; A530-S539 WeakPolarHBondContact O-CA 3.49Å; A530-S539 WeakPolarHBondContact O-CB 3.22Å; A530-S540 PolarHBondContact N-O 2.79Å; A530-S540 PolarHBondContact O-N 2.67Å
531	R	94.7	Very high	93.4	Very high	119 Å²	119	55 Å²	55	45%	0.449	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	135.3	-176.7	-172.9	-165.5	-179.4	-165.5	-4.9	109.3	S485 L529 S537 L538	S485-R531 PolarHBondContact N-O 3.26Å; S485-R531 PolarHBondContact O-N 3.49Å; S485-R531 PolarHBondContact OG-O 2.71Å; L529-R531 HydrophobicContact CD2-CB 4.46Å; R531-S537 VanDerWaalsContact CZ-OG 3.28Å; R531-S537 PolarHBondContact NE-OG 3.1Å; R531-S537 PolarHBondContact NH2-OG 3.33Å; R531-L538 VanDerWaalsContact CG-O 3.32Å; R531-L538 WeakPolarHBondContact CG-O 3.38Å
532	D	95.1	Very high	93.7	Very high	1 Å²	1	54.6 Å²	54.6	1%	0.005	29%	0.289	C	S	.	.			trans	-66.7	-174.3	171.3	58.1	48.3	0	0	0	112.4	N443 P447 N481 T483 G534 S537 L538	N443-D532 PolarHBondContact ND2-OD2 3.17Å; P447-D532 HydrophobicContact CG-CB 4.16Å; N481-D532 WeakPolarHBondContact O-CB 3.13Å; T483-D532 CarbonylContact O-C 3.51Å; T483-D532 WeakPolarHBondContact O-CA 3.32Å; D532-G534 PolarHBondContact OD1-N 2.93Å; D532-S537 WeakPolarHBondContact OD1-CA 3.03Å; D532-S537 WeakPolarHBondContact OD1-CB 3.43Å; D532-L538 PolarHBondContact N-O 3.26Å; D532-L538 PolarHBondContact OD1-N 3.46Å; D532-L538 VanDerWaalsContact OD2-CA 3.24Å; D532-L538 WeakPolarHBondContact OD2-CA 3.19Å; D532-L538 VanDerWaalsContact OD2-CB 3.27Å; D532-L538 WeakPolarHBondContact OD2-CB 3.38Å; D532-L538 PolarHBondContact OD2-N 3.34Å
533	N	91.9	Very high	93.9	Very high	69 Å²	69	50.8 Å²	50.8	37%	0.369	28%	0.278	S	S	.	.	S	Bend	trans	-113.9	25.2	166.3	-68.7	-90.8	0	0	0	112.2	M480 T483	M480-N533 HydrophobicContact CB-CB 4.45Å; M480-N533 HydrophobicContact CE-CB 4.01Å; M480-N533 CarbonylContact O-C 3.58Å; M480-N533 WeakPolarHBondContact O-CA 3.47Å; M480-N533 WeakPolarHBondContact O-CB 3.26Å; M480-N533 PolarHBondContact O-N 3.38Å; M480-N533 VanDerWaalsContact O-N 3.15Å; T483-N533 PolarHBondContact O-N 2.86Å; T483-N533 PolarHBondContact O-ND2 2.96Å
534	G	89.5	Confident	94	Very high	4 Å²	4	46.9 Å²	46.9	4%	0.041	25%	0.254	C	S	.	.			trans	-77.1	175.1	178.8	0	0	0	0	0	114.5	N443 D532 S537	N443-G534 VanDerWaalsContact OD1-CA 3.26Å; N443-G534 WeakPolarHBondContact OD1-CA 3.16Å; D532-G534 PolarHBondContact OD1-N 2.93Å; G534-S537 WeakPolarHBondContact O-CA 3.37Å; G534-S537 WeakPolarHBondContact O-CB 3.28Å; G534-S537 PolarHBondContact O-N 3.26Å
535	N	85.1	Confident	94.1	Very high	152 Å²	152	51.4 Å²	51.4	81%	0.813	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-140.9	102.4	179.2	-75	-78.6	0	0	0	111
536	P	90.3	Very high	94.2	Very high	108 Å²	108	47.9 Å²	47.9	70%	0.701	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	cis	-72.8	138.9	1.7	31.7	-35.3	0	0	0	112.1
537	S	92.6	Very high	94.2	Very high	36 Å²	36	48.8 Å²	48.8	25%	0.252	26%	0.258	S	S	.	.	P	Polyproline II helix	trans	-72.8	131.9	178.2	62.7	0	0	0	0	112.6	R531 D532 G534	R531-S537 VanDerWaalsContact CZ-OG 3.28Å; R531-S537 PolarHBondContact NE-OG 3.1Å; R531-S537 PolarHBondContact NH2-OG 3.33Å; D532-S537 WeakPolarHBondContact OD1-CA 3.03Å; D532-S537 WeakPolarHBondContact OD1-CB 3.43Å; G534-S537 WeakPolarHBondContact O-CA 3.37Å; G534-S537 WeakPolarHBondContact O-CB 3.28Å; G534-S537 PolarHBondContact O-N 3.26Å
538	L	94.3	Very high	94.2	Very high	57 Å²	57	44.2 Å²	44.2	30%	0.298	24%	0.238	S	C	.	.	P	Polyproline II helix	trans	-92.4	168.2	169.9	-56.9	177.9	0	0	0	111.1	N443 N445 P446 R531 D532	N443-L538 WeakPolarHBondContact ND2-CG 3.25Å; N443-L538 WeakPolarHBondContact O-CD1 3.33Å; N445-L538 WeakPolarHBondContact O-CD1 3.49Å; P446-L538 HydrophobicContact CB-CB 3.99Å; R531-L538 VanDerWaalsContact CG-O 3.32Å; R531-L538 WeakPolarHBondContact CG-O 3.38Å; D532-L538 PolarHBondContact N-O 3.26Å; D532-L538 PolarHBondContact OD1-N 3.46Å; D532-L538 VanDerWaalsContact OD2-CA 3.24Å; D532-L538 WeakPolarHBondContact OD2-CA 3.19Å; D532-L538 VanDerWaalsContact OD2-CB 3.27Å; D532-L538 WeakPolarHBondContact OD2-CB 3.38Å; D532-L538 PolarHBondContact OD2-N 3.34Å
539	S	94.9	Very high	94	Very high	59 Å²	59	47.4 Å²	47.4	41%	0.413	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.3	157.7	-179.1	52.8	0	0	0	0	112.9	A530	A530-S539 CarbonylContact O-C 3.58Å; A530-S539 WeakPolarHBondContact O-CA 3.49Å; A530-S539 WeakPolarHBondContact O-CB 3.22Å
540	S	95.4	Very high	93.9	Very high	32 Å²	32	47.1 Å²	47.1	22%	0.224	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	172.6	167.5	80.7	0	0	0	0	111.3	P447 F449 L529 A530	P447-S540 WeakPolarHBondContact O-CB 3.44Å; P447-S540 PolarHBondContact O-OG 3.1Å; F449-S540 WeakPolarHBondContact CD2-OG 3.12Å; L529-S540 WeakPolarHBondContact CA-O 3.27Å; L529-S540 WeakPolarHBondContact CD1-O 3.25Å; A530-S540 PolarHBondContact N-O 2.79Å; A530-S540 PolarHBondContact O-N 2.67Å
541	N	95.3	Very high	93.7	Very high	84 Å²	84	49.5 Å²	49.5	45%	0.449	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	144.7	174.3	57.8	98.3	0	0	0	112.7	K527 V528	K527-N541 PolarHBondContact NZ-OD1 3.26Å; V528-N541 WeakPolarHBondContact O-CA 3.29Å; V528-N541 WeakPolarHBondContact O-CB 3.34Å
542	A	95.6	Very high	93.6	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	153.7	166.9	0	0	0	0	0	110	F449 Y454 K527 V528	F449-A542 HydrophobicContact CB-CB 4Å; F449-A542 HydrophobicContact CD1-CB 3.76Å; F449-A542 HydrophobicContact CD2-CB 3.63Å; F449-A542 HydrophobicContact CE1-CB 4.06Å; F449-A542 HydrophobicContact CE2-CB 3.94Å; F449-A542 HydrophobicContact CG-CB 3.52Å; F449-A542 HydrophobicContact CZ-CB 4.13Å; Y454-A542 HydrophobicContact CD2-CB 4.2Å; Y454-A542 HydrophobicContact CE2-CB 4.01Å; K527-A542 WeakPolarHBondContact CA-O 3.06Å; V528-A542 PolarHBondContact N-O 2.94Å; V528-A542 PolarHBondContact O-N 2.76Å
543	T	95.9	Very high	93.3	Very high	30 Å²	30	47.9 Å²	47.9	18%	0.184	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	131.2	177	-52.4	0	0	0	0	109.8	P452 H453 Y454 D525	P452-T543 PolarHBondContact O-N 3.22Å; H453-T543 CarbonylContact C-O 3.51Å; H453-T543 WeakPolarHBondContact CA-O 3.23Å; Y454-T543 PolarHBondContact N-O 2.89Å; D525-T543 HydrophobicContact CB-CG2 4.3Å
544	V	96.4	Very high	93.3	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	124.2	175.2	177.3	0	0	0	0	108.7	Y454 L469 V471 I510 D525 F526 V528 I546	Y454-V544 WeakPolarHBondContact O-CA 3.15Å; L469-V544 HydrophobicContact CD2-CG1 3.77Å; V471-V544 HydrophobicContact CG1-CG2 4.02Å; I510-V544 HydrophobicContact CD1-CG1 4.3Å; I510-V544 HydrophobicContact CD1-CG2 3.92Å; D525-V544 WeakPolarHBondContact CA-O 3.38Å; F526-V544 HydrophobicContact CD1-CB 4.28Å; F526-V544 HydrophobicContact CD1-CG1 4.39Å; F526-V544 HydrophobicContact CD2-CB 4.32Å; F526-V544 HydrophobicContact CE1-CB 3.85Å; F526-V544 HydrophobicContact CE1-CG1 3.57Å; F526-V544 HydrophobicContact CE2-CB 3.88Å; F526-V544 HydrophobicContact CE2-CG1 4.21Å; F526-V544 HydrophobicContact CE2-CG2 4.19Å; F526-V544 HydrophobicContact CZ-CB 3.63Å; F526-V544 HydrophobicContact CZ-CG1 3.45Å; F526-V544 VanDerWaalsContact CZ-CG1 3.45Å; F526-V544 HydrophobicContact CZ-CG2 4.24Å; F526-V544 PolarHBondContact N-O 2.88Å; F526-V544 PolarHBondContact O-N 2.84Å; V528-V544 HydrophobicContact CG2-CG2 3.74Å; V544-I546 HydrophobicContact CG1-CD1 4.15Å
545	R	96.2	Very high	93.4	Very high	105 Å²	105	49.7 Å²	49.7	40%	0.396	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	126.6	171.5	175.5	165.5	-68.5	165.3	2.6	110.3	Y454 Q455 E456 D525 V547	Y454-R545 PolarHBondContact O-N 2.57Å; Q455-R545 VanDerWaalsContact CA-O 3.31Å; Q455-R545 WeakPolarHBondContact CA-O 3.25Å; Q455-R545 HydrophobicContact CB-CB 4.29Å; Q455-R545 HydrophobicContact CG-CB 4.14Å; Q455-R545 HydrophobicContact CG-CG 4.07Å; E456-R545 PolarHBondContact N-O 2.81Å; D525-R545 WeakPolarHBondContact OD1-CA 3.47Å; D525-R545 WeakPolarHBondContact OD1-CB 3.4Å; D525-R545 WeakPolarHBondContact OD1-CG 3.27Å; D525-R545 IonicContact OD1-CZ 3.16Å; D525-R545 IonicContact OD1-NE 2.95Å; D525-R545 PolarHBondContact OD1-NE 2.56Å; D525-R545 IonicContact OD1-NH2 2.69Å; D525-R545 IonicContact OD2-CZ 2.68Å; D525-R545 IonicContact OD2-NE 3.12Å; D525-R545 IonicContact OD2-NH2 3.38Å; D525-R545 PolarHBondContact OD2-NH2 3Å; R545-V547 HydrophobicContact CG-CG2 4.07Å
546	I	95.8	Very high	93.7	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	125.8	164.6	-55.6	-57.4	0	0	0	108	E456 V458 L468 F516 T523 F524 F526 V544 V548	E456-I546 HydrophobicContact CB-CD1 4.09Å; V458-I546 HydrophobicContact CB-CG2 4.31Å; V458-I546 HydrophobicContact CG2-CG2 3.9Å; L468-I546 HydrophobicContact CD1-CD1 4Å; L468-I546 HydrophobicContact CD1-CG1 4.45Å; F516-I546 HydrophobicContact CD2-CG2 4.49Å; F516-I546 HydrophobicContact CE2-CG2 4.26Å; T523-I546 WeakPolarHBondContact CA-O 3.34Å; F524-I546 HydrophobicContact CD1-CB 4.22Å; F524-I546 HydrophobicContact CD2-CB 4.17Å; F524-I546 HydrophobicContact CD2-CG1 4.25Å; F524-I546 HydrophobicContact CE1-CB 3.79Å; F524-I546 HydrophobicContact CE1-CG1 4.41Å; F524-I546 HydrophobicContact CE1-CG2 3.78Å; F524-I546 HydrophobicContact CE2-CB 3.75Å; F524-I546 HydrophobicContact CE2-CG1 3.55Å; F524-I546 HydrophobicContact CE2-CG2 4.45Å; F524-I546 HydrophobicContact CG-CB 4.41Å; F524-I546 HydrophobicContact CZ-CB 3.55Å; F524-I546 HydrophobicContact CZ-CG1 3.65Å; F524-I546 HydrophobicContact CZ-CG2 3.75Å; F524-I546 PolarHBondContact N-O 2.78Å; F524-I546 PolarHBondContact O-N 3.38Å; F526-I546 HydrophobicContact CE1-CG1 3.98Å; V544-I546 HydrophobicContact CG1-CD1 4.15Å; I546-V548 HydrophobicContact CG2-CG2 4.35Å
547	V	95.7	Very high	93.8	Very high	28 Å²	28	40.7 Å²	40.7	17%	0.17	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	116.9	167.4	-177.1	0	0	0	0	107	Q455 E456 M457 V458 T523 R545 L549	Q455-V547 HydrophobicContact CG-CG2 4.14Å; E456-V547 PolarHBondContact O-N 2.74Å; M457-V547 WeakPolarHBondContact CA-O 3.06Å; M457-V547 HydrophobicContact CG-CB 4.28Å; V458-V547 PolarHBondContact N-O 2.88Å; T523-V547 HydrophobicContact CG2-CG1 4.29Å; T523-V547 HydrophobicContact CG2-CG2 4.3Å; R545-V547 HydrophobicContact CG-CG2 4.07Å; V547-L549 HydrophobicContact CG1-CD2 4.17Å
548	V	94.7	Very high	93.7	Very high	1 Å²	1	40 Å²	40	1%	0.006	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	119.4	175.4	-178.6	0	0	0	0	107.5	V458 E460 F516 H518 T521 R522 F524 I546	V458-V548 CarbonylContact O-C 3.57Å; V458-V548 VanDerWaalsContact O-CA 3.29Å; V458-V548 WeakPolarHBondContact O-CA 3.47Å; E460-V548 HydrophobicContact CB-CG1 3.64Å; F516-V548 HydrophobicContact CB-CG1 3.99Å; F516-V548 HydrophobicContact CB-CG2 3.79Å; F516-V548 HydrophobicContact CD2-CG2 4.32Å; F516-V548 HydrophobicContact CG-CG2 4.19Å; H518-V548 HydrophobicContact CB-CG1 4.17Å; H518-V548 PolarHBondContact CE1-O 3.35Å; H518-V548 PolarHBondContact ND1-O 2.88Å; T521-V548 VanDerWaalsContact O-CG2 3.25Å; T521-V548 WeakPolarHBondContact O-CG2 3.32Å; R522-V548 PolarHBondContact O-N 3.02Å; F524-V548 HydrophobicContact CE1-CG2 4.21Å; I546-V548 HydrophobicContact CG2-CG2 4.35Å
549	L	93.1	Very high	93.4	Very high	68 Å²	68	40.3 Å²	40.3	36%	0.356	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	130.9	177.6	-61.2	-177	0	0	0	110.6	M457 V458 M459 E460 V547	M457-L549 HydrophobicContact CB-CD1 3.99Å; M457-L549 HydrophobicContact CB-CG 4.22Å; V458-L549 PolarHBondContact O-N 3.03Å; M459-L549 WeakPolarHBondContact CA-O 3.14Å; M459-L549 HydrophobicContact CG-CB 4.46Å; E460-L549 PolarHBondContact N-O 3.45Å; V547-L549 HydrophobicContact CG1-CD2 4.17Å
550	D	92.9	Very high	93.1	Very high	36 Å²	36	40.9 Å²	40.9	19%	0.193	22%	0.224	C	C	.	.	P	Polyproline II helix	trans	-60.8	138.8	179.4	-171	100.2	0	0	0	113.7	E460 H518 E592 N595	E460-D550 VanDerWaalsContact OE1-CA 3.27Å; E460-D550 WeakPolarHBondContact OE1-CA 3.49Å; H518-D550 IonicContact CD2-OD1 2.6Å; H518-D550 PolarHBondContact CD2-OD1 2.99Å; H518-D550 IonicContact CG-OD1 3.62Å; H518-D550 IonicContact NE2-OD1 2.65Å; D550-E592 WeakPolarHBondContact OD1-CB 3.35Å; D550-E592 PolarHBondContact OD1-N 2.82Å; D550-N595 WeakPolarHBondContact OD2-CB 3.16Å; D550-N595 PolarHBondContact OD2-ND2 3.5Å
551	V	92	Very high	92.7	Very high	51 Å²	51	39.9 Å²	39.9	31%	0.309	22%	0.217	S	C	.	.			trans	-135.9	137.7	179.7	175	0	0	0	0	108.7	M459 E460 D553	M459-V551 HydrophobicContact CB-CG2 4.21Å; E460-V551 HydrophobicContact CG-CB 3.9Å; E460-V551 HydrophobicContact CG-CG2 3.95Å; E460-V551 PolarHBondContact OE1-N 3.21Å; V551-D553 VanDerWaalsContact C-N 3.34Å; V551-D553 PolarHBondContact O-N 3.32Å
552	N	92.3	Very high	92.2	Very high	9 Å²	9	40.6 Å²	40.6	5%	0.048	23%	0.226	C	C	.	.	S	Bend	trans	-70.2	83.5	-175.7	-158	117.7	0	0	0	112.5	D591 N595 D641 G643 L647	N552-D591 VanDerWaalsContact CA-OD2 3.24Å; N552-D591 WeakPolarHBondContact CA-OD2 3.28Å; N552-N595 HydrophobicContact CB-CB 3.94Å; N552-N595 PolarHBondContact N-ND2 2.8Å; N552-N595 VanDerWaalsContact OD1-CA 3.23Å; N552-N595 WeakPolarHBondContact OD1-CA 3.48Å; N552-N595 WeakPolarHBondContact OD1-CB 3.28Å; N552-D641 PolarHBondContact ND2-OD2 2.79Å; N552-D641 PolarHBondContact OD1-OD2 3.17Å; N552-G643 WeakPolarHBondContact OD1-CA 3.38Å; N552-G643 PolarHBondContact OD1-N 2.83Å; N552-L647 WeakPolarHBondContact ND2-CD1 3.43Å; N552-L647 WeakPolarHBondContact ND2-CG 3.2Å
553	D	90.1	Very high	91.8	Very high	77 Å²	77	43.2 Å²	43.2	41%	0.412	24%	0.239	S	C	.	.			trans	-118.4	-31.1	-170.3	131.5	-44.6	0	0	0	112	N461 V551 D591	N461-D553 PolarHBondContact ND2-OD2 2.89Å; V551-D553 VanDerWaalsContact C-N 3.34Å; V551-D553 PolarHBondContact O-N 3.32Å; D553-D591 PolarHBondContact N-OD2 3.42Å
554	N	91.1	Very high	91.1	Very high	44 Å²	44	46.7 Å²	46.7	24%	0.235	26%	0.26	C	S	.	.	S	Bend	trans	-77.2	146.2	168.7	-65.7	-84	0	0	0	110.7	D591 L647	N554-D591 WeakPolarHBondContact CB-OD1 3.21Å; N554-D591 PolarHBondContact N-OD1 2.82Å; N554-D591 PolarHBondContact ND2-OD1 3.06Å; N554-L647 WeakPolarHBondContact O-CD1 3.29Å
555	T	91.1	Very high	90.3	Very high	66 Å²	66	54.6 Å²	54.6	41%	0.405	30%	0.302	S	S	.	.	P	Polyproline II helix	trans	-102.3	136.5	174.9	-61.3	0	0	0	0	109.1	V557 L647	T555-V557 WeakPolarHBondContact O-CG2 3.11Å; T555-V557 PolarHBondContact O-N 2.84Å; T555-L647 HydrophobicContact CG2-CB 4.33Å
556	P	93.1	Very high	89.6	Confident	2 Å²	2	51.3 Å²	51.3	1%	0.013	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-47.9	129.1	178.6	-27.8	27.6	0	0	0	113	A587 D589 L598 A639 A649	P556-A587 HydrophobicContact CB-CB 4.37Å; P556-D589 WeakPolarHBondContact CA-OD2 3.31Å; P556-D589 WeakPolarHBondContact CD-OD2 3.46Å; P556-D589 WeakPolarHBondContact CG-OD2 3.01Å; P556-L598 HydrophobicContact CB-CD2 3.57Å; P556-L598 HydrophobicContact CG-CD2 3.48Å; P556-L598 VanDerWaalsContact CG-CD2 3.48Å; P556-A639 HydrophobicContact CB-CB 4.46Å; P556-A649 WeakPolarHBondContact O-CB 3.11Å
557	V	91.4	Very high	89.1	Confident	69 Å²	69	53.7 Å²	53.7	42%	0.418	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	116.6	-179.8	-176.7	0	0	0	0	110.5	T555 T559 A587 D588	T555-V557 WeakPolarHBondContact O-CG2 3.11Å; T555-V557 PolarHBondContact O-N 2.84Å; V557-T559 PolarHBondContact O-N 3.12Å; V557-A587 CarbonylContact O-C 3.58Å; V557-A587 WeakPolarHBondContact O-CA 3.27Å; V557-A587 WeakPolarHBondContact O-CB 3.47Å; V557-D588 PolarHBondContact N-O 2.74Å; V557-D588 PolarHBondContact O-N 3.37Å
558	M	90.1	Very high	88.8	Confident	21 Å²	21	52.6 Å²	52.6	10%	0.103	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	111.1	175.4	-68.3	-74.7	-171.5	0	0	111.2	L563 V585 A587 A639 A649 A651	M558-L563 HydrophobicContact CB-CD1 3.64Å; M558-L563 HydrophobicContact CB-CG 4.43Å; M558-L563 HydrophobicContact CG-CD1 4.15Å; M558-V585 HydrophobicContact CE-CG1 4.14Å; M558-V585 HydrophobicContact SD-CG1 3.49Å; M558-V585 WeakPolarHBondContact SD-CG1 3.37Å; M558-A587 HydrophobicContact SD-CB 4.08Å; M558-A639 HydrophobicContact CE-CB 3.55Å; M558-A639 VanDerWaalsContact CE-N 3.33Å; M558-A639 HydrophobicContact SD-CB 4.17Å; M558-A649 WeakPolarHBondContact CE-O 3.48Å; M558-A649 HydrophobicContact CG-CB 4.23Å; M558-A651 HydrophobicContact CE-CB 3.95Å; M558-A651 HydrophobicContact CG-CB 4.12Å; M558-A651 HydrophobicContact SD-CB 4.06Å
559	T	89.1	Confident	88.5	Confident	64 Å²	64	59.1 Å²	59.1	39%	0.393	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	-21.6	-178.4	56.6	0	0	0	0	113.9	V557 K586 D588	V557-T559 PolarHBondContact O-N 3.12Å; T559-K586 PolarHBondContact N-O 3.36Å; T559-K586 PolarHBondContact OG1-O 3.12Å; T559-D588 WeakPolarHBondContact CB-OD2 3.4Å; T559-D588 HydrophobicContact CG2-CB 4.12Å; T559-D588 WeakPolarHBondContact CG2-OD2 3.34Å; T559-D588 PolarHBondContact OG1-OD2 2.92Å
560	N	88.2	Confident	88.2	Confident	71 Å²	71	56.8 Å²	56.8	38%	0.38	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	141.2	173.3	-169.3	69.9	0	0	0	111.3	Q584 V585 K586	N560-Q584 PolarHBondContact ND2-O 2.91Å; N560-V585 CarbonylContact O-C 3.53Å; N560-V585 VanDerWaalsContact O-CA 3.28Å; N560-V585 WeakPolarHBondContact O-CA 3.32Å; N560-K586 HydrophobicContact CB-CB 4.16Å; N560-K586 PolarHBondContact N-O 3.23Å; N560-K586 PolarHBondContact O-N 2.92Å
561	P	86.4	Confident	87.9	Confident	12 Å²	12	59.1 Å²	59.1	8%	0.078	35%	0.348	C	S	.	.	S	Bend	cis	-59.3	152.3	-14.8	28.9	-36.2	0	0	0	111.6	L563 A568 I653	P561-L563 PolarHBondContact O-N 3.01Å; P561-A568 HydrophobicContact CB-CB 3.92Å; P561-A568 HydrophobicContact CG-CB 3.54Å; P561-I653 HydrophobicContact CG-CD1 4.3Å
562	P	85.2	Confident	87.6	Confident	99 Å²	99	56.8 Å²	56.8	64%	0.643	33%	0.334	S	S	*	.	P	Polyproline II helix	trans	-63.9	123.3	-179.5	26.3	-34.3	0	0	0	110.6
563	L	86.6	Confident	87.1	Confident	55 Å²	55	57.9 Å²	57.9	29%	0.288	34%	0.341	S	S	.	.	P	Polyproline II helix	trans	-87.2	135.1	-177.5	-60.3	174.8	0	0	0	111.8	M558 P561 T567 A568 A651	M558-L563 HydrophobicContact CB-CD1 3.64Å; M558-L563 HydrophobicContact CB-CG 4.43Å; M558-L563 HydrophobicContact CG-CD1 4.15Å; P561-L563 PolarHBondContact O-N 3.01Å; L563-T567 CarbonylContact C-O 3.51Å; L563-T567 VanDerWaalsContact CA-O 3.31Å; L563-T567 WeakPolarHBondContact CA-O 3.48Å; L563-A568 HydrophobicContact CD2-CB 3.79Å; L563-A651 HydrophobicContact CD1-CB 4.05Å; L563-A651 HydrophobicContact CD2-CB 3.82Å
564	V	81.7	Confident	86.5	Confident	102 Å²	102	59.4 Å²	59.4	62%	0.618	34%	0.342	S	S	*	.	B	Isolated β-bridge	trans	-112	117.6	168.2	179.7	0	0	0	0	107.3	G566 T567	V564-G566 PolarHBondContact O-N 3.04Å; V564-G566 VanDerWaalsContact O-N 3.12Å; V564-T567 PolarHBondContact N-O 3.27Å; V564-T567 PolarHBondContact O-N 2.79Å; V564-T567 PolarHBondContact O-OG1 2.86Å; V564-T567 VanDerWaalsContact O-OG1 3.13Å
565	N	80.6	Confident	85.8	Confident	166 Å²	166	62.5 Å²	62.5	89%	0.888	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.8	31.7	-174.7	-59.2	-21.8	0	0	0	114.3	T567	N565-T567 VanDerWaalsContact C-N 3.33Å
566	G	79.6	Confident	85.4	Confident	37 Å²	37	59.4 Å²	59.4	38%	0.381	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	84	-2.4	-178	0	0	0	0	0	115.3	V564 Y652	V564-G566 PolarHBondContact O-N 3.04Å; V564-G566 VanDerWaalsContact O-N 3.12Å; G566-Y652 PolarHBondContact O-N 3.46Å
567	T	86.1	Confident	84.9	Confident	50 Å²	50	63.4 Å²	63.4	31%	0.307	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	151.3	175.7	73.5	0	0	0	0	112.3	L563 V564 N565 Y652	L563-T567 CarbonylContact C-O 3.51Å; L563-T567 VanDerWaalsContact CA-O 3.31Å; L563-T567 WeakPolarHBondContact CA-O 3.48Å; V564-T567 PolarHBondContact N-O 3.27Å; V564-T567 PolarHBondContact O-N 2.79Å; V564-T567 PolarHBondContact O-OG1 2.86Å; V564-T567 VanDerWaalsContact O-OG1 3.13Å; N565-T567 VanDerWaalsContact C-N 3.33Å; T567-Y652 CarbonylContact C-O 3.48Å; T567-Y652 WeakPolarHBondContact CA-O 3.3Å; T567-Y652 HydrophobicContact CG2-CD1 3.8Å; T567-Y652 HydrophobicContact CG2-CG 4.43Å
568	A	89.2	Confident	84.5	Confident	5 Å²	5	64.5 Å²	64.5	4%	0.041	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	138.6	165.5	0	0	0	0	0	110.1	P561 L563 Y652 I653 V654	P561-A568 HydrophobicContact CB-CB 3.92Å; P561-A568 HydrophobicContact CG-CB 3.54Å; L563-A568 HydrophobicContact CD2-CB 3.79Å; A568-Y652 PolarHBondContact N-O 2.92Å; A568-I653 CarbonylContact O-C 3.54Å; A568-I653 WeakPolarHBondContact O-CA 3.17Å; A568-V654 PolarHBondContact O-N 2.87Å
569	E	88.1	Confident	84.3	Confident	138 Å²	138	65.2 Å²	65.2	65%	0.645	38%	0.383	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.7	129.1	176.5	-61.1	-175.7	-177.1	0	0	109.8	Y656	E569-Y656 HydrophobicContact CB-CD2 4.45Å; E569-Y656 HydrophobicContact CB-CE2 3.96Å; E569-Y656 HydrophobicContact CG-CE2 3.91Å
570	V	88.1	Confident	84.2	Confident	18 Å²	18	66.3 Å²	66.3	11%	0.109	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	130.2	-179.3	179.5	0	0	0	0	108.6	I572 V582 T583 I653 V654 V655 Y656	V570-I572 HydrophobicContact CG1-CG2 4.4Å; V570-V582 HydrophobicContact CG1-CG1 3.89Å; V570-V582 VanDerWaalsContact CG1-O 3.29Å; V570-V582 WeakPolarHBondContact CG1-O 3.18Å; V570-T583 HydrophobicContact CG2-CG2 4.45Å; V570-I653 HydrophobicContact CB-CG2 4.33Å; V570-I653 HydrophobicContact CG2-CG2 3.73Å; V570-V654 PolarHBondContact N-O 3.34Å; V570-V655 CarbonylContact O-C 3.51Å; V570-V655 VanDerWaalsContact O-CA 3.3Å; V570-V655 WeakPolarHBondContact O-CA 3.34Å; V570-Y656 PolarHBondContact O-N 2.6Å
571	S	85.1	Confident	84.3	Confident	86 Å²	86	68.7 Å²	68.7	60%	0.601	38%	0.384	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.1	130.5	175.4	-69.3	0	0	0	0	111.1	Y656	S571-Y656 WeakPolarHBondContact CA-O 3.36Å
572	I	86.3	Confident	84.4	Confident	1 Å²	1	68.8 Å²	68.8	1%	0.005	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	147.2	171.9	68.5	177.8	0	0	0	109.9	V570 Y580 V582 F610 F625 V655 Y656 L657 S658	V570-I572 HydrophobicContact CG1-CG2 4.4Å; I572-Y580 HydrophobicContact CB-CD1 4.4Å; I572-Y580 HydrophobicContact CB-CE1 3.94Å; I572-Y580 HydrophobicContact CG2-CD1 4.33Å; I572-Y580 HydrophobicContact CG2-CE1 3.84Å; I572-V582 HydrophobicContact CD1-CG2 4.31Å; I572-V582 HydrophobicContact CG2-CB 4.23Å; I572-V582 HydrophobicContact CG2-CG1 3.89Å; I572-V582 HydrophobicContact CG2-CG2 4.27Å; I572-F610 HydrophobicContact CD1-CE1 4.27Å; I572-F625 HydrophobicContact CD1-CD2 4.49Å; I572-F625 HydrophobicContact CD1-CE2 3.67Å; I572-F625 HydrophobicContact CD1-CZ 3.93Å; I572-V655 HydrophobicContact CD1-CG1 3.64Å; I572-V655 HydrophobicContact CG1-CG1 3.83Å; I572-V655 HydrophobicContact CG2-CG1 4.22Å; I572-Y656 PolarHBondContact N-O 3.12Å; I572-L657 HydrophobicContact CD1-CD2 3.92Å; I572-L657 HydrophobicContact CG1-CD2 3.64Å; I572-L657 WeakPolarHBondContact O-CA 3.39Å; I572-S658 PolarHBondContact O-N 2.8Å; I572-S658 PolarHBondContact O-OG 2.99Å
573	P	81.8	Confident	84.6	Confident	32 Å²	32	65 Å²	65	21%	0.208	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	144.5	179.7	30.3	-35.3	0	0	0	110.8	N575 A576 Y580 S658	P573-N575 PolarHBondContact O-N 3.46Å; P573-N575 VanDerWaalsContact O-N 3.16Å; P573-A576 WeakPolarHBondContact O-CB 3.25Å; P573-A576 PolarHBondContact O-N 3.14Å; P573-Y580 WeakPolarHBondContact CD-OH 3.25Å; P573-Y580 HydrophobicContact CG-CE2 4.04Å; P573-S658 WeakPolarHBondContact CA-OG 3.31Å
574	R	77.9	Confident	84.8	Confident	110 Å²	110	65.5 Å²	65.5	42%	0.415	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-33.2	177.7	-174.7	174.5	-65.7	-157.8	-2.8	113.5	A576 S658	R574-A576 PolarHBondContact O-N 2.82Å; R574-S658 PolarHBondContact N-O 2.99Å
575	N	76.9	Confident	85.3	Confident	109 Å²	109	60.7 Å²	60.7	58%	0.583	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.7	10.4	177.2	67.6	27.3	0	0	0	115.1	P573 V577 D660	P573-N575 PolarHBondContact O-N 3.46Å; P573-N575 VanDerWaalsContact O-N 3.16Å; N575-V577 PolarHBondContact O-N 3.25Å; N575-V577 VanDerWaalsContact O-N 3.16Å; N575-D660 PolarHBondContact ND2-OD1 3.42Å
576	A	81.3	Confident	85.8	Confident	1 Å²	1	57.1 Å²	57.1	1%	0.008	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-54.8	117.8	176.5	0	0	0	0	0	112.2	P573 R574 Y580 F625	P573-A576 WeakPolarHBondContact O-CB 3.25Å; P573-A576 PolarHBondContact O-N 3.14Å; R574-A576 PolarHBondContact O-N 2.82Å; A576-Y580 HydrophobicContact CB-CD1 4.03Å; A576-Y580 HydrophobicContact CB-CD2 4.13Å; A576-Y580 HydrophobicContact CB-CG 3.76Å; A576-F625 HydrophobicContact CB-CD2 4.28Å; A576-F625 HydrophobicContact CB-CE2 4.31Å
577	V	82.6	Confident	86.4	Confident	85 Å²	85	55.5 Å²	55.5	52%	0.515	29%	0.291	S	S	.	.	P	Polyproline II helix	trans	-71.9	170.9	174.9	-64.4	0	0	0	0	111.7	N575 Y580 S621	N575-V577 PolarHBondContact O-N 3.25Å; N575-V577 VanDerWaalsContact O-N 3.16Å; V577-Y580 VanDerWaalsContact O-CB 3.3Å; V577-Y580 WeakPolarHBondContact O-CB 3.47Å; V577-Y580 PolarHBondContact O-N 2.74Å; V577-S621 PolarHBondContact O-OG 2.8Å
578	V	84.7	Confident	86.7	Confident	92 Å²	92	55.9 Å²	55.9	56%	0.558	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	135.8	167.6	-178	0	0	0	0	109.5	M624	V578-M624 HydrophobicContact CG2-CG 4.01Å
579	G	84.4	Confident	86.9	Confident	37 Å²	37	57 Å²	57	38%	0.381	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.8	6.3	-175.3	0	0	0	0	0	114.6	R581 S621	G579-R581 PolarHBondContact O-N 2.9Å; G579-S621 PolarHBondContact N-O 3.2Å; G579-S621 PolarHBondContact N-OG 3.09Å
580	Y	87.4	Confident	87	Confident	87 Å²	87	57.2 Å²	57.2	34%	0.341	29%	0.292	S	S	.	.			trans	-67.6	124.8	176.6	-176.8	-83.3	0	0	0	110.6	I572 P573 A576 V577 V582 R620 S621	I572-Y580 HydrophobicContact CB-CD1 4.4Å; I572-Y580 HydrophobicContact CB-CE1 3.94Å; I572-Y580 HydrophobicContact CG2-CD1 4.33Å; I572-Y580 HydrophobicContact CG2-CE1 3.84Å; P573-Y580 WeakPolarHBondContact CD-OH 3.25Å; P573-Y580 HydrophobicContact CG-CE2 4.04Å; A576-Y580 HydrophobicContact CB-CD1 4.03Å; A576-Y580 HydrophobicContact CB-CD2 4.13Å; A576-Y580 HydrophobicContact CB-CG 3.76Å; V577-Y580 VanDerWaalsContact O-CB 3.3Å; V577-Y580 WeakPolarHBondContact O-CB 3.47Å; V577-Y580 PolarHBondContact O-N 2.74Å; Y580-V582 PolarHBondContact O-N 2.74Å; Y580-R620 VanDerWaalsContact O-CA 3.3Å; Y580-R620 WeakPolarHBondContact O-CA 3.45Å; Y580-S621 WeakPolarHBondContact CB-OG 3.39Å; Y580-S621 PolarHBondContact N-OG 3.06Å; Y580-S621 PolarHBondContact O-N 2.69Å; Y580-S621 PolarHBondContact O-OG 2.95Å
581	R	89.6	Confident	87.3	Confident	121 Å²	121	56.9 Å²	56.9	46%	0.457	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	110.7	177.6	178.3	176.4	168.4	141.9	-5.2	110.7	G579 Q584 E618	G579-R581 PolarHBondContact O-N 2.9Å; R581-Q584 VanDerWaalsContact NH2-CB 3.31Å; R581-E618 WeakPolarHBondContact CB-OE1 3.44Å; R581-E618 WeakPolarHBondContact CD-OE1 3.28Å; R581-E618 HydrophobicContact CG-CG 3.8Å; R581-E618 WeakPolarHBondContact CG-OE1 3.49Å; R581-E618 IonicContact NH1-OE2 3.05Å
582	V	88.9	Confident	87.6	Confident	14 Å²	14	57.4 Å²	57.4	9%	0.085	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	-55.8	178.9	178.7	0	0	0	0	110	V570 I572 Y580 F610 V619 V655	V570-V582 HydrophobicContact CG1-CG1 3.89Å; V570-V582 VanDerWaalsContact CG1-O 3.29Å; V570-V582 WeakPolarHBondContact CG1-O 3.18Å; I572-V582 HydrophobicContact CD1-CG2 4.31Å; I572-V582 HydrophobicContact CG2-CB 4.23Å; I572-V582 HydrophobicContact CG2-CG1 3.89Å; I572-V582 HydrophobicContact CG2-CG2 4.27Å; Y580-V582 PolarHBondContact O-N 2.74Å; V582-F610 HydrophobicContact CG2-CD1 3.75Å; V582-F610 HydrophobicContact CG2-CE1 3.7Å; V582-V619 HydrophobicContact CB-CB 4.32Å; V582-V619 HydrophobicContact CB-CG1 4.04Å; V582-V619 HydrophobicContact CG1-CG1 4.49Å; V582-V619 HydrophobicContact CG2-CG1 4.33Å; V582-V619 PolarHBondContact N-O 3.47Å; V582-V655 HydrophobicContact CG1-CG1 3.97Å; V582-V655 HydrophobicContact CG1-CG2 3.87Å
583	T	90.1	Very high	87.7	Confident	20 Å²	20	60 Å²	60	12%	0.123	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	177.5	176.7	-170.2	0	0	0	0	109.1	V570 V585 V619 I653	V570-T583 HydrophobicContact CG2-CG2 4.45Å; T583-V585 HydrophobicContact CG2-CG2 4.27Å; T583-V619 HydrophobicContact CG2-CB 4.16Å; T583-V619 HydrophobicContact CG2-CG2 4.11Å; T583-V619 PolarHBondContact O-N 2.8Å; T583-I653 HydrophobicContact CG2-CD1 4.17Å
584	Q	91.1	Very high	88.1	Confident	64 Å²	64	63.4 Å²	63.4	30%	0.299	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	112.6	165.5	-179.1	175.2	9.4	0	0	108.3	N560 R581 N616	N560-Q584 PolarHBondContact ND2-O 2.91Å; R581-Q584 VanDerWaalsContact NH2-CB 3.31Å; Q584-N616 WeakPolarHBondContact CG-O 3.46Å; Q584-N616 PolarHBondContact NE2-O 2.88Å
585	V	91.8	Very high	88.7	Confident	1 Å²	1	59.5 Å²	59.5	1%	0.006	31%	0.31	C	S	.	.			trans	-75	133	173.9	-177.1	0	0	0	0	108.3	M558 N560 T583 Y600 I612 G617 V619 V637 I653	M558-V585 HydrophobicContact CE-CG1 4.14Å; M558-V585 HydrophobicContact SD-CG1 3.49Å; M558-V585 WeakPolarHBondContact SD-CG1 3.37Å; N560-V585 CarbonylContact O-C 3.53Å; N560-V585 VanDerWaalsContact O-CA 3.28Å; N560-V585 WeakPolarHBondContact O-CA 3.32Å; T583-V585 HydrophobicContact CG2-CG2 4.27Å; V585-Y600 HydrophobicContact CB-CD1 4.44Å; V585-Y600 HydrophobicContact CG1-CD1 4.06Å; V585-Y600 HydrophobicContact CG1-CE1 4.13Å; V585-I612 HydrophobicContact CB-CD1 4.47Å; V585-I612 HydrophobicContact CG2-CD1 4.47Å; V585-G617 PolarHBondContact N-O 3.46Å; V585-G617 WeakPolarHBondContact O-CA 3.34Å; V585-V619 HydrophobicContact CG2-CG2 4.06Å; V585-V637 HydrophobicContact CB-CG1 4.2Å; V585-V637 HydrophobicContact CG1-CG1 3.95Å; V585-V637 HydrophobicContact CG2-CB 4.28Å; V585-V637 HydrophobicContact CG2-CG1 4.01Å; V585-V637 HydrophobicContact CG2-CG2 4.16Å; V585-I653 HydrophobicContact CG2-CD1 3.58Å
586	K	92.1	Very high	89.3	Confident	91 Å²	91	55.3 Å²	55.3	40%	0.396	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	127.7	170.8	-177.5	167.9	179	-80.5	0	107.8	T559 N560 D588	T559-K586 PolarHBondContact N-O 3.36Å; T559-K586 PolarHBondContact OG1-O 3.12Å; N560-K586 HydrophobicContact CB-CB 4.16Å; N560-K586 PolarHBondContact N-O 3.23Å; N560-K586 PolarHBondContact O-N 2.92Å; K586-D588 IonicContact NZ-OD1 3.36Å; K586-D588 PolarHBondContact NZ-OD1 2.74Å; K586-D588 IonicContact NZ-OD2 2.81Å; K586-D588 PolarHBondContact NZ-OD2 2.79Å
587	A	91.8	Very high	89.8	Confident	4 Å²	4	60.4 Å²	60.4	3%	0.033	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	159.1	158.3	0	0	0	0	0	108.8	P556 V557 M558 L598 Y600 A639	P556-A587 HydrophobicContact CB-CB 4.37Å; V557-A587 CarbonylContact O-C 3.58Å; V557-A587 WeakPolarHBondContact O-CA 3.27Å; V557-A587 WeakPolarHBondContact O-CB 3.47Å; M558-A587 HydrophobicContact SD-CB 4.08Å; A587-L598 HydrophobicContact CB-CD1 3.77Å; A587-L598 VanDerWaalsContact O-CD1 3.31Å; A587-L598 WeakPolarHBondContact O-CD1 3.24Å; A587-Y600 HydrophobicContact CB-CE1 4.23Å; A587-Y600 PolarHBondContact N-OH 3.31Å; A587-Y600 PolarHBondContact O-OH 2.86Å; A587-A639 HydrophobicContact CB-CB 3.67Å
588	D	91.7	Very high	90.2	Very high	58 Å²	58	57.8 Å²	57.8	31%	0.31	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	143.5	168.3	-70.3	-83.9	0	0	0	107.8	V557 T559 K586	V557-D588 PolarHBondContact N-O 2.74Å; V557-D588 PolarHBondContact O-N 3.37Å; T559-D588 WeakPolarHBondContact CB-OD2 3.4Å; T559-D588 HydrophobicContact CG2-CB 4.12Å; T559-D588 WeakPolarHBondContact CG2-OD2 3.34Å; T559-D588 PolarHBondContact OG1-OD2 2.92Å; K586-D588 IonicContact NZ-OD1 3.36Å; K586-D588 PolarHBondContact NZ-OD1 2.74Å; K586-D588 IonicContact NZ-OD2 2.81Å; K586-D588 PolarHBondContact NZ-OD2 2.79Å
589	D	93.3	Very high	90.7	Very high	27 Å²	27	54.7 Å²	54.7	14%	0.144	28%	0.277	C	S	.	.			trans	-121.9	160.7	173.4	-140.4	-51.8	0	0	0	109.3	P556 L598	P556-D589 WeakPolarHBondContact CA-OD2 3.31Å; P556-D589 WeakPolarHBondContact CD-OD2 3.46Å; P556-D589 WeakPolarHBondContact CG-OD2 3.01Å; D589-L598 HydrophobicContact CB-CD1 4.37Å; D589-L598 HydrophobicContact CB-CD2 4.18Å; D589-L598 HydrophobicContact CB-CG 4.34Å
590	Y	91.4	Very high	91.1	Very high	144 Å²	144	53.7 Å²	53.7	57%	0.565	26%	0.262	S	S	*	.			trans	-104.6	-29.9	-176.2	-66.8	-69.6	0	0	0	113.2
591	D	93.2	Very high	91.4	Very high	11 Å²	11	52.4 Å²	52.4	6%	0.059	26%	0.263	C	S	.	.	S	Bend	trans	-62.1	159.6	177.9	-56.4	-6.3	0	0	0	112.1	N552 D553 N554 N595 G596	N552-D591 VanDerWaalsContact CA-OD2 3.24Å; N552-D591 WeakPolarHBondContact CA-OD2 3.28Å; D553-D591 PolarHBondContact N-OD2 3.42Å; N554-D591 WeakPolarHBondContact CB-OD1 3.21Å; N554-D591 PolarHBondContact N-OD1 2.82Å; N554-D591 PolarHBondContact ND2-OD1 3.06Å; D591-N595 HydrophobicContact CB-CB 3.64Å; D591-G596 VanDerWaalsContact O-CA 3.25Å; D591-G596 WeakPolarHBondContact O-CA 3.16Å
592	E	90.8	Very high	91.5	Very high	97 Å²	97	47.7 Å²	47.7	45%	0.453	25%	0.247	S	C	.	.			trans	-96.8	159.7	179.6	-165.6	168.7	151.3	0	0	113.2	H518 R522 D550 E594 N595 G596	H518-E592 IonicContact NE2-OE2 2.74Å; R522-E592 IonicContact CZ-OE2 3.55Å; R522-E592 IonicContact NE-OE2 3.84Å; R522-E592 IonicContact NH1-OE2 3.35Å; R522-E592 PolarHBondContact NH1-OE2 2.86Å; R522-E592 IonicContact NH2-OE2 3.75Å; D550-E592 WeakPolarHBondContact OD1-CB 3.35Å; D550-E592 PolarHBondContact OD1-N 2.82Å; E592-E594 PolarHBondContact O-N 2.71Å; E592-N595 PolarHBondContact O-N 2.77Å; E592-G596 PolarHBondContact O-N 2.69Å
593	G	89.5	Confident	91.6	Very high	56 Å²	56	48.9 Å²	48.9	58%	0.577	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.9	-124.7	168.4	0	0	0	0	0	113.7	R597	G593-R597 WeakPolarHBondContact O-CB 3.14Å
594	E	89.9	Confident	91.4	Very high	102 Å²	102	53.6 Å²	53.6	48%	0.477	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84	-18.4	177.7	-67.4	-67.3	137.5	0	0	112.7	E592 R597 H642 G643	E592-E594 PolarHBondContact O-N 2.71Å; E594-R597 PolarHBondContact O-N 3.3Å; E594-R597 WeakPolarHBondContact OE1-CD 3.22Å; E594-R597 IonicContact OE1-NE 2.69Å; E594-R597 IonicContact OE1-NH1 3.07Å; E594-R597 IonicContact OE2-CZ 2.72Å; E594-R597 IonicContact OE2-NE 2.74Å; E594-R597 IonicContact OE2-NH1 2.6Å; E594-R597 PolarHBondContact OE2-NH1 3.25Å; E594-H642 HydrophobicContact CB-CB 4.31Å; E594-H642 CarbonylContact O-C 3.54Å; E594-H642 WeakPolarHBondContact O-CA 3.2Å; E594-H642 WeakPolarHBondContact O-CB 3.3Å; E594-H642 PolarHBondContact O-N 2.95Å; E594-H642 VanDerWaalsContact O-N 3.1Å; E594-H642 WeakPolarHBondContact OE2-CB 3.45Å; E594-H642 IonicContact OE2-CG 3.73Å; E594-G643 PolarHBondContact O-N 2.89Å
595	N	90	Very high	91.2	Very high	28 Å²	28	52.7 Å²	52.7	15%	0.15	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-52.7	176.2	-64.1	-15.7	0	0	0	108.5	D550 N552 D591 E592 R597 D641 G643	D550-N595 WeakPolarHBondContact OD2-CB 3.16Å; D550-N595 PolarHBondContact OD2-ND2 3.5Å; N552-N595 HydrophobicContact CB-CB 3.94Å; N552-N595 PolarHBondContact N-ND2 2.8Å; N552-N595 VanDerWaalsContact OD1-CA 3.23Å; N552-N595 WeakPolarHBondContact OD1-CA 3.48Å; N552-N595 WeakPolarHBondContact OD1-CB 3.28Å; D591-N595 HydrophobicContact CB-CB 3.64Å; E592-N595 PolarHBondContact O-N 2.77Å; N595-R597 PolarHBondContact O-N 3.02Å; N595-D641 WeakPolarHBondContact O-CB 3.34Å; N595-G643 WeakPolarHBondContact OD1-CA 3.29Å
596	G	89	Confident	91	Very high	22 Å²	22	54 Å²	54	23%	0.227	29%	0.292	C	S	.	.	S	Bend	trans	-69.3	5.8	171.4	0	0	0	0	0	116.5	D591 E592 L598	D591-G596 VanDerWaalsContact O-CA 3.25Å; D591-G596 WeakPolarHBondContact O-CA 3.16Å; E592-G596 PolarHBondContact O-N 2.69Å; G596-L598 PolarHBondContact O-N 2.65Å
597	R	92	Very high	90.6	Very high	107 Å²	107	56.2 Å²	56.2	40%	0.404	30%	0.297	S	S	.	.			trans	-92.3	99.7	-171	-176.9	164.6	162.8	-84.4	-23.8	112.7	G593 E594 N595 D641 H642	G593-R597 WeakPolarHBondContact O-CB 3.14Å; E594-R597 PolarHBondContact O-N 3.3Å; E594-R597 WeakPolarHBondContact OE1-CD 3.22Å; E594-R597 IonicContact OE1-NE 2.69Å; E594-R597 IonicContact OE1-NH1 3.07Å; E594-R597 IonicContact OE2-CZ 2.72Å; E594-R597 IonicContact OE2-NE 2.74Å; E594-R597 IonicContact OE2-NH1 2.6Å; E594-R597 PolarHBondContact OE2-NH1 3.25Å; N595-R597 PolarHBondContact O-N 3.02Å; R597-D641 CarbonylContact O-C 3.59Å; R597-D641 WeakPolarHBondContact O-CA 3.17Å; R597-H642 PolarHBondContact NH1-ND1 2.84Å; R597-H642 PolarHBondContact O-CD2 2.74Å; R597-H642 PolarHBondContact O-N 3.38Å
598	L	92.8	Very high	90.3	Very high	30 Å²	30	58.5 Å²	58.5	16%	0.157	32%	0.316	C	S	.	.			trans	-81.2	145	-174.6	-58.4	176.1	0	0	0	114.9	P556 A587 D589 G596 Y600 R640	P556-L598 HydrophobicContact CB-CD2 3.57Å; P556-L598 HydrophobicContact CG-CD2 3.48Å; P556-L598 VanDerWaalsContact CG-CD2 3.48Å; A587-L598 HydrophobicContact CB-CD1 3.77Å; A587-L598 VanDerWaalsContact O-CD1 3.31Å; A587-L598 WeakPolarHBondContact O-CD1 3.24Å; D589-L598 HydrophobicContact CB-CD1 4.37Å; D589-L598 HydrophobicContact CB-CD2 4.18Å; D589-L598 HydrophobicContact CB-CG 4.34Å; G596-L598 PolarHBondContact O-N 2.65Å; L598-Y600 HydrophobicContact CB-CE2 4.43Å; L598-R640 CarbonylContact C-O 3.59Å; L598-R640 WeakPolarHBondContact CA-O 3.38Å
599	T	93.6	Very high	90	Very high	28 Å²	28	58.1 Å²	58.1	17%	0.172	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	145.9	163.9	44.2	0	0	0	0	112	Q614 A639 R640 H642	T599-Q614 VanDerWaalsContact CA-O 3.28Å; T599-Q614 WeakPolarHBondContact CA-O 3.49Å; T599-A639 WeakPolarHBondContact O-CA 3.49Å; T599-R640 PolarHBondContact N-O 2.62Å; T599-R640 PolarHBondContact O-N 2.6Å; T599-R640 PolarHBondContact OG1-O 3.29Å; T599-H642 WeakPolarHBondContact CG2-NE2 3.21Å; T599-H642 PolarHBondContact OG1-NE2 3.05Å
600	Y	93.9	Very high	89.9	Confident	15 Å²	15	57 Å²	57	6%	0.059	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	136.5	-170.4	-58.4	-88.2	0	0	0	112.4	V585 A587 L598 Q614 V638 A639	V585-Y600 HydrophobicContact CB-CD1 4.44Å; V585-Y600 HydrophobicContact CG1-CD1 4.06Å; V585-Y600 HydrophobicContact CG1-CE1 4.13Å; A587-Y600 HydrophobicContact CB-CE1 4.23Å; A587-Y600 PolarHBondContact N-OH 3.31Å; A587-Y600 PolarHBondContact O-OH 2.86Å; L598-Y600 HydrophobicContact CB-CE2 4.43Å; Y600-Q614 PolarHBondContact N-O 2.76Å; Y600-Q614 WeakPolarHBondContact O-CA 3.41Å; Y600-V638 WeakPolarHBondContact CA-O 3.4Å; Y600-A639 HydrophobicContact CD1-CB 3.79Å; Y600-A639 HydrophobicContact CE1-CB 3.69Å
601	T	93.8	Very high	89.9	Confident	61 Å²	61	55 Å²	55	37%	0.374	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	152.3	179.9	59.7	0	0	0	0	112.2	V637 V638	T601-V637 CarbonylContact O-C 3.58Å; T601-V637 WeakPolarHBondContact O-CA 3.4Å; T601-V638 PolarHBondContact N-O 2.91Å; T601-V638 PolarHBondContact O-N 2.92Å
602	I	91.9	Very high	89.9	Confident	22 Å²	22	55.9 Å²	55.9	11%	0.113	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	103.5	169.1	-62.5	163.8	0	0	0	108.5	E604 R607 F610 I612 I635 T636 V637	I602-E604 WeakPolarHBondContact CG2-O 3.3Å; I602-R607 HydrophobicContact CB-CB 4.45Å; I602-R607 HydrophobicContact CG2-CB 3.78Å; I602-R607 HydrophobicContact CG2-CG 4.05Å; I602-R607 PolarHBondContact O-NH1 3.34Å; I602-F610 HydrophobicContact CD1-CB 4.04Å; I602-I612 HydrophobicContact CD1-CB 4.11Å; I602-I612 HydrophobicContact CD1-CG2 4.21Å; I602-I612 HydrophobicContact CG1-CB 4.1Å; I602-I612 HydrophobicContact CG1-CG2 3.84Å; I602-I635 HydrophobicContact CD1-CD1 4.39Å; I602-I635 HydrophobicContact CG2-CB 4.06Å; I602-I635 HydrophobicContact CG2-CG2 4.25Å; I602-T636 CarbonylContact C-O 3.48Å; I602-T636 WeakPolarHBondContact CA-O 3.22Å; I602-V637 HydrophobicContact CG1-CG2 4.18Å
603	S	89.3	Confident	90	Very high	39 Å²	39	54 Å²	54	27%	0.273	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	-29.6	-172.8	65.7	0	0	0	0	113.7	R607 T636 V638	S603-R607 VanDerWaalsContact C-NH1 3.28Å; S603-R607 PolarHBondContact O-NH1 2.75Å; S603-R607 PolarHBondContact O-NH2 3.14Å; S603-T636 PolarHBondContact N-O 2.84Å; S603-T636 WeakPolarHBondContact OG-CB 3.16Å; S603-T636 WeakPolarHBondContact OG-CG2 3.37Å; S603-T636 PolarHBondContact OG-O 3.25Å; S603-V638 VanDerWaalsContact OG-CG2 3.3Å; S603-V638 WeakPolarHBondContact OG-CG2 3.21Å
604	E	87.2	Confident	90.1	Very high	118 Å²	118	57.4 Å²	57.4	55%	0.551	30%	0.3	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-152.1	172.2	-177.2	-62	-168.2	155	0	0	112.4	I602 T636	I602-E604 WeakPolarHBondContact CG2-O 3.3Å; E604-T636 PolarHBondContact O-N 3.26Å
605	G	86.3	Confident	90.1	Very high	46 Å²	46	58.2 Å²	58.2	47%	0.474	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	90.3	-157.6	177.1	0	0	0	0	0	116	R607 E634	G605-R607 WeakPolarHBondContact O-CG 3.34Å; G605-R607 PolarHBondContact O-N 2.82Å; G605-E634 CarbonylContact C-O 3.59Å; G605-E634 WeakPolarHBondContact CA-O 3.36Å
606	D	87.3	Confident	90.1	Very high	29 Å²	29	59.9 Å²	59.9	16%	0.155	32%	0.32	C	S	.	.	S	Bend	trans	-73.8	38.5	-175.1	-78.2	-53.1	0	0	0	114.3	A608 F609 K630 Y633 E634	D606-A608 PolarHBondContact O-N 3.25Å; D606-F609 HydrophobicContact CB-CD2 4.24Å; D606-F609 PolarHBondContact O-N 2.89Å; D606-K630 IonicContact OD1-NZ 2.74Å; D606-K630 PolarHBondContact OD1-NZ 2.81Å; D606-K630 IonicContact OD2-NZ 2.68Å; D606-K630 PolarHBondContact OD2-NZ 2.87Å; D606-Y633 HydrophobicContact CB-CD1 3.91Å; D606-Y633 WeakPolarHBondContact OD2-CA 3.39Å; D606-E634 PolarHBondContact N-O 2.96Å; D606-E634 PolarHBondContact OD2-N 3.18Å
607	R	85	Confident	90.1	Very high	136 Å²	136	58.8 Å²	58.8	51%	0.513	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-7.9	179.6	15.9	173.6	-176.6	-161.2	-5.3	115.7	I602 S603 G605 F609	I602-R607 HydrophobicContact CB-CB 4.45Å; I602-R607 HydrophobicContact CG2-CB 3.78Å; I602-R607 HydrophobicContact CG2-CG 4.05Å; I602-R607 PolarHBondContact O-NH1 3.34Å; S603-R607 VanDerWaalsContact C-NH1 3.28Å; S603-R607 PolarHBondContact O-NH1 2.75Å; S603-R607 PolarHBondContact O-NH2 3.14Å; G605-R607 WeakPolarHBondContact O-CG 3.34Å; G605-R607 PolarHBondContact O-N 2.82Å; R607-F609 PolarHBondContact O-N 3.49Å
608	A	83.9	Confident	90.2	Very high	53 Å²	53	54.9 Å²	54.9	44%	0.438	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-17.7	168.6	0	0	0	0	0	113.5	D606 T622 R623	D606-A608 PolarHBondContact O-N 3.25Å; A608-T622 PolarHBondContact O-OG1 2.85Å; A608-R623 PolarHBondContact O-NE 2.97Å
609	F	87	Confident	90.1	Very high	50 Å²	50	53.5 Å²	53.5	22%	0.219	29%	0.288	C	S	.	.	S	Bend	trans	-108.8	-12.1	-176.9	-66.2	-93.4	0	0	0	113.9	D606 R607 S621 T622 R623 F625 Y633	D606-F609 HydrophobicContact CB-CD2 4.24Å; D606-F609 PolarHBondContact O-N 2.89Å; R607-F609 PolarHBondContact O-N 3.49Å; F609-S621 CarbonylContact O-C 3.42Å; F609-S621 WeakPolarHBondContact O-CA 3.41Å; F609-T622 WeakPolarHBondContact CA-OG1 3.04Å; F609-T622 PolarHBondContact O-N 3.34Å; F609-T622 PolarHBondContact O-OG1 3.14Å; F609-R623 HydrophobicContact CD1-CB 4.2Å; F609-F625 HydrophobicContact CB-CE1 4.37Å; F609-F625 HydrophobicContact CD1-CD1 4.38Å; F609-F625 AromaticContact CD1-CE1 3.96Å; F609-F625 HydrophobicContact CD1-CE1 3.96Å; F609-F625 HydrophobicContact CG-CE1 4.48Å; F609-Y633 HydrophobicContact CB-CD1 4.47Å; F609-Y633 AromaticContact CD1-CE1 3.85Å; F609-Y633 HydrophobicContact CD1-CE1 3.85Å; F609-Y633 AromaticContact CD2-CD1 3.95Å; F609-Y633 HydrophobicContact CD2-CD1 3.95Å; F609-Y633 AromaticContact CD2-CE1 3.74Å; F609-Y633 HydrophobicContact CD2-CE1 3.74Å; F609-Y633 AromaticContact CE1-CE1 3.87Å; F609-Y633 HydrophobicContact CE1-CE1 3.87Å; F609-Y633 HydrophobicContact CE2-CD1 4.34Å; F609-Y633 AromaticContact CE2-CE1 3.76Å; F609-Y633 HydrophobicContact CE2-CE1 3.76Å; F609-Y633 HydrophobicContact CG-CD1 4.07Å; F609-Y633 AromaticContact CG-CE1 3.79Å; F609-Y633 HydrophobicContact CG-CE1 3.79Å; F609-Y633 AromaticContact CZ-CE1 3.83Å; F609-Y633 HydrophobicContact CZ-CE1 3.83Å
610	F	90.4	Very high	90	Very high	4 Å²	4	56.4 Å²	56.4	2%	0.018	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	140.3	-174.6	-54.2	-75.7	0	0	0	112.2	I572 V582 I602 V619 R620 F625 Y633 I635 V655	I572-F610 HydrophobicContact CD1-CE1 4.27Å; V582-F610 HydrophobicContact CG2-CD1 3.75Å; V582-F610 HydrophobicContact CG2-CE1 3.7Å; I602-F610 HydrophobicContact CD1-CB 4.04Å; F610-V619 HydrophobicContact CB-CG1 4.2Å; F610-V619 HydrophobicContact CD1-CG1 4.45Å; F610-R620 CarbonylContact C-O 3.57Å; F610-R620 VanDerWaalsContact CA-O 3.25Å; F610-R620 WeakPolarHBondContact CA-O 3.11Å; F610-F625 AromaticContact CE1-CZ 3.9Å; F610-F625 HydrophobicContact CE1-CZ 3.9Å; F610-F625 HydrophobicContact CZ-CE1 4.24Å; F610-F625 AromaticContact CZ-CZ 3.86Å; F610-F625 HydrophobicContact CZ-CZ 3.86Å; F610-Y633 HydrophobicContact CE2-CD1 4.4Å; F610-Y633 HydrophobicContact CE2-CG 4.14Å; F610-Y633 HydrophobicContact CZ-CG 4.34Å; F610-I635 HydrophobicContact CB-CD1 4.32Å; F610-I635 HydrophobicContact CD2-CD1 4.39Å; F610-I635 HydrophobicContact CD2-CG2 3.66Å; F610-I635 HydrophobicContact CE2-CG2 4.32Å; F610-I635 HydrophobicContact CG-CD1 4.31Å; F610-I635 HydrophobicContact CG-CG2 4.42Å; F610-V655 HydrophobicContact CE1-CG1 4.2Å; F610-V655 HydrophobicContact CZ-CB 4.11Å; F610-V655 HydrophobicContact CZ-CG1 3.92Å; F610-V655 HydrophobicContact CZ-CG2 4.24Å
611	E	90.9	Very high	89.8	Confident	102 Å²	102	55.7 Å²	55.7	48%	0.477	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	158.5	168	61.7	-175.5	-164.2	0	0	109.7	V619 R620 T622	E611-V619 CarbonylContact O-C 3.51Å; E611-V619 WeakPolarHBondContact O-CA 3.36Å; E611-R620 HydrophobicContact CG-CB 4.05Å; E611-R620 PolarHBondContact N-O 2.9Å; E611-R620 PolarHBondContact O-N 2.82Å; E611-T622 HydrophobicContact CB-CG2 3.63Å; E611-T622 HydrophobicContact CG-CG2 3.66Å
612	I	93.2	Very high	89.5	Confident	28 Å²	28	55 Å²	55	14%	0.144	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	136.2	172.9	-167.1	168.9	0	0	0	109.8	V585 I602 Q614 E618 V619 V637	V585-I612 HydrophobicContact CB-CD1 4.47Å; V585-I612 HydrophobicContact CG2-CD1 4.47Å; I602-I612 HydrophobicContact CD1-CB 4.11Å; I602-I612 HydrophobicContact CD1-CG2 4.21Å; I602-I612 HydrophobicContact CG1-CB 4.1Å; I602-I612 HydrophobicContact CG1-CG2 3.84Å; I612-Q614 PolarHBondContact O-N 3Å; I612-E618 WeakPolarHBondContact CA-O 3.4Å; I612-V619 HydrophobicContact CB-CG2 4.29Å; I612-V619 HydrophobicContact CD1-CG2 3.74Å; I612-V619 HydrophobicContact CG1-CG2 3.87Å; I612-V637 HydrophobicContact CD1-CG1 3.48Å; I612-V637 VanDerWaalsContact CD1-CG1 3.48Å; I612-V637 HydrophobicContact CD1-CG2 4.18Å
613	D	92.6	Very high	89.1	Confident	58 Å²	58	60.4 Å²	60.4	31%	0.31	31%	0.308	S	S	.	.			trans	-70.4	122.2	169.1	-175.9	-58.6	0	0	0	109.8	V615 N616 G617 E618	D613-V615 PolarHBondContact O-N 3.04Å; D613-V615 PolarHBondContact OD1-N 2.84Å; D613-N616 VanDerWaalsContact CB-OD1 3.25Å; D613-N616 WeakPolarHBondContact CB-OD1 3.4Å; D613-N616 VanDerWaalsContact CG-OD1 3.31Å; D613-N616 PolarHBondContact OD1-N 2.9Å; D613-N616 PolarHBondContact OD1-ND2 3.28Å; D613-N616 PolarHBondContact OD2-ND2 2.8Å; D613-G617 WeakPolarHBondContact O-CA 3.17Å; D613-G617 PolarHBondContact O-N 3.16Å; D613-E618 PolarHBondContact N-O 3.32Å
614	Q	91.7	Very high	88.7	Confident	128 Å²	128	64.8 Å²	64.8	60%	0.598	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-16.7	-173	-65.2	-178.3	-4.2	0	0	114.2	T599 Y600 I612	T599-Q614 VanDerWaalsContact CA-O 3.28Å; T599-Q614 WeakPolarHBondContact CA-O 3.49Å; Y600-Q614 PolarHBondContact N-O 2.76Å; Y600-Q614 WeakPolarHBondContact O-CA 3.41Å; I612-Q614 PolarHBondContact O-N 3Å
615	V	89.6	Confident	88.4	Confident	118 Å²	118	59.9 Å²	59.9	72%	0.715	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.9	-44	-173.2	-177.5	0	0	0	0	111.7	D613	D613-V615 PolarHBondContact O-N 3.04Å; D613-V615 PolarHBondContact OD1-N 2.84Å
616	N	89.9	Confident	87.7	Confident	63 Å²	63	60 Å²	60	34%	0.337	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103	-4.3	-178.2	67.4	52.6	0	0	0	114.6	Q584 D613 E618	Q584-N616 WeakPolarHBondContact CG-O 3.46Å; Q584-N616 PolarHBondContact NE2-O 2.88Å; D613-N616 VanDerWaalsContact CB-OD1 3.25Å; D613-N616 WeakPolarHBondContact CB-OD1 3.4Å; D613-N616 VanDerWaalsContact CG-OD1 3.31Å; D613-N616 PolarHBondContact OD1-N 2.9Å; D613-N616 PolarHBondContact OD1-ND2 3.28Å; D613-N616 PolarHBondContact OD2-ND2 2.8Å; N616-E618 PolarHBondContact O-N 2.99Å; N616-E618 WeakPolarHBondContact OD1-CB 3.25Å; N616-E618 PolarHBondContact OD1-N 2.81Å
617	G	90.1	Very high	86.7	Confident	0 Å²	0	67.8 Å²	67.8	0%	0	34%	0.34	C	S	.	.			trans	69.8	10.9	174.5	0	0	0	0	0	115.3	V585 D613 V619	V585-G617 PolarHBondContact N-O 3.46Å; V585-G617 WeakPolarHBondContact O-CA 3.34Å; D613-G617 WeakPolarHBondContact O-CA 3.17Å; D613-G617 PolarHBondContact O-N 3.16Å; G617-V619 PolarHBondContact O-N 3.24Å
618	E	92.9	Very high	85.9	Confident	25 Å²	25	69.4 Å²	69.4	12%	0.117	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	122.7	176.4	-163.9	-173.4	145.4	0	0	111	R581 I612 D613 N616 R620	R581-E618 WeakPolarHBondContact CB-OE1 3.44Å; R581-E618 WeakPolarHBondContact CD-OE1 3.28Å; R581-E618 HydrophobicContact CG-CG 3.8Å; R581-E618 WeakPolarHBondContact CG-OE1 3.49Å; R581-E618 IonicContact NH1-OE2 3.05Å; I612-E618 WeakPolarHBondContact CA-O 3.4Å; D613-E618 PolarHBondContact N-O 3.32Å; N616-E618 PolarHBondContact O-N 2.99Å; N616-E618 WeakPolarHBondContact OD1-CB 3.25Å; N616-E618 PolarHBondContact OD1-N 2.81Å; E618-R620 VanDerWaalsContact CD-NE 3.35Å; E618-R620 HydrophobicContact CG-CG 4.4Å; E618-R620 IonicContact OE1-CZ 3.01Å; E618-R620 IonicContact OE1-NE 3.97Å; E618-R620 PolarHBondContact OE1-NE 2.79Å; E618-R620 IonicContact OE1-NH2 2.7Å; E618-R620 PolarHBondContact OE1-NH2 3.48Å; E618-R620 VanDerWaalsContact OE1-NH2 3.12Å; E618-R620 IonicContact OE2-CZ 2.74Å; E618-R620 IonicContact OE2-NE 3.68Å; E618-R620 IonicContact OE2-NH2 3.12Å; E618-R620 PolarHBondContact OE2-NH2 3.03Å
619	V	91.9	Very high	85.4	Confident	0 Å²	0	68.4 Å²	68.4	0%	0	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	126.4	176.8	-179.9	0	0	0	0	109.1	V582 T583 V585 F610 E611 I612 G617 I635 V637	V582-V619 HydrophobicContact CB-CB 4.32Å; V582-V619 HydrophobicContact CB-CG1 4.04Å; V582-V619 HydrophobicContact CG1-CG1 4.49Å; V582-V619 HydrophobicContact CG2-CG1 4.33Å; V582-V619 PolarHBondContact N-O 3.47Å; T583-V619 HydrophobicContact CG2-CB 4.16Å; T583-V619 HydrophobicContact CG2-CG2 4.11Å; T583-V619 PolarHBondContact O-N 2.8Å; V585-V619 HydrophobicContact CG2-CG2 4.06Å; F610-V619 HydrophobicContact CB-CG1 4.2Å; F610-V619 HydrophobicContact CD1-CG1 4.45Å; E611-V619 CarbonylContact O-C 3.51Å; E611-V619 WeakPolarHBondContact O-CA 3.36Å; I612-V619 HydrophobicContact CB-CG2 4.29Å; I612-V619 HydrophobicContact CD1-CG2 3.74Å; I612-V619 HydrophobicContact CG1-CG2 3.87Å; G617-V619 PolarHBondContact O-N 3.24Å; V619-I635 HydrophobicContact CG1-CD1 3.85Å; V619-V637 HydrophobicContact CG2-CG2 4.48Å
620	R	91.4	Very high	85.1	Confident	89 Å²	89	70.9 Å²	70.9	34%	0.336	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	152.2	-179.6	-65.5	-176.3	-177.8	146.8	8.6	112.3	Y580 F610 E611 E618	Y580-R620 VanDerWaalsContact O-CA 3.3Å; Y580-R620 WeakPolarHBondContact O-CA 3.45Å; F610-R620 CarbonylContact C-O 3.57Å; F610-R620 VanDerWaalsContact CA-O 3.25Å; F610-R620 WeakPolarHBondContact CA-O 3.11Å; E611-R620 HydrophobicContact CG-CB 4.05Å; E611-R620 PolarHBondContact N-O 2.9Å; E611-R620 PolarHBondContact O-N 2.82Å; E618-R620 VanDerWaalsContact CD-NE 3.35Å; E618-R620 HydrophobicContact CG-CG 4.4Å; E618-R620 IonicContact OE1-CZ 3.01Å; E618-R620 IonicContact OE1-NE 3.97Å; E618-R620 PolarHBondContact OE1-NE 2.79Å; E618-R620 IonicContact OE1-NH2 2.7Å; E618-R620 PolarHBondContact OE1-NH2 3.48Å; E618-R620 VanDerWaalsContact OE1-NH2 3.12Å; E618-R620 IonicContact OE2-CZ 2.74Å; E618-R620 IonicContact OE2-NE 3.68Å; E618-R620 IonicContact OE2-NH2 3.12Å; E618-R620 PolarHBondContact OE2-NH2 3.03Å
621	S	89.7	Confident	84.5	Confident	0 Å²	0	74.8 Å²	74.8	0%	0	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	132.3	171.7	54.8	0	0	0	0	111.9	V577 G579 Y580 F609	V577-S621 PolarHBondContact O-OG 2.8Å; G579-S621 PolarHBondContact N-O 3.2Å; G579-S621 PolarHBondContact N-OG 3.09Å; Y580-S621 WeakPolarHBondContact CB-OG 3.39Å; Y580-S621 PolarHBondContact N-OG 3.06Å; Y580-S621 PolarHBondContact O-N 2.69Å; Y580-S621 PolarHBondContact O-OG 2.95Å; F609-S621 CarbonylContact O-C 3.42Å; F609-S621 WeakPolarHBondContact O-CA 3.41Å
622	T	87.3	Confident	84.3	Confident	47 Å²	47	72 Å²	72	29%	0.288	38%	0.379	S	S	.	.	S	Bend	trans	-95.7	-8	174	58.2	0	0	0	0	113	A608 F609 E611	A608-T622 PolarHBondContact O-OG1 2.85Å; F609-T622 WeakPolarHBondContact CA-OG1 3.04Å; F609-T622 PolarHBondContact O-N 3.34Å; F609-T622 PolarHBondContact O-OG1 3.14Å; E611-T622 HydrophobicContact CB-CG2 3.63Å; E611-T622 HydrophobicContact CG-CG2 3.66Å
623	R	82.9	Confident	84.1	Confident	135 Å²	135	71 Å²	71	51%	0.509	37%	0.373	S	S	.	.	S	Bend	trans	-141	158.4	-177.8	-56	-173.2	-169	-132.1	-3.9	110.6	A608 F609	A608-R623 PolarHBondContact O-NE 2.97Å; F609-R623 HydrophobicContact CD1-CB 4.2Å
624	M	80.5	Confident	84	Confident	132 Å²	132	72 Å²	72	65%	0.65	38%	0.377	S	S	*	.			trans	-85.4	148.3	165.1	-55.8	-163.3	-55.9	0	0	110.4	V578 G626	V578-M624 HydrophobicContact CG2-CG 4.01Å; M624-G626 PolarHBondContact O-N 2.68Å
625	F	82.3	Confident	84	Confident	14 Å²	14	66 Å²	66	6%	0.061	35%	0.348	C	S	.	.			trans	-93	100.3	-177.6	-58.3	-83.3	0	0	0	110.6	I572 A576 F609 F610 A629 Y633 L657	I572-F625 HydrophobicContact CD1-CD2 4.49Å; I572-F625 HydrophobicContact CD1-CE2 3.67Å; I572-F625 HydrophobicContact CD1-CZ 3.93Å; A576-F625 HydrophobicContact CB-CD2 4.28Å; A576-F625 HydrophobicContact CB-CE2 4.31Å; F609-F625 HydrophobicContact CB-CE1 4.37Å; F609-F625 HydrophobicContact CD1-CD1 4.38Å; F609-F625 AromaticContact CD1-CE1 3.96Å; F609-F625 HydrophobicContact CD1-CE1 3.96Å; F609-F625 HydrophobicContact CG-CE1 4.48Å; F610-F625 AromaticContact CE1-CZ 3.9Å; F610-F625 HydrophobicContact CE1-CZ 3.9Å; F610-F625 HydrophobicContact CZ-CE1 4.24Å; F610-F625 AromaticContact CZ-CZ 3.86Å; F610-F625 HydrophobicContact CZ-CZ 3.86Å; F625-A629 HydrophobicContact CB-CB 3.99Å; F625-Y633 HydrophobicContact CD1-CD2 4.39Å; F625-Y633 AromaticContact CD1-CE2 3.63Å; F625-Y633 HydrophobicContact CD1-CE2 3.63Å; F625-Y633 AromaticContact CD1-CZ 3.72Å; F625-Y633 HydrophobicContact CE1-CD2 4.04Å; F625-Y633 HydrophobicContact CE1-CE1 4.28Å; F625-Y633 AromaticContact CE1-CE2 3.7Å; F625-Y633 HydrophobicContact CE1-CE2 3.7Å; F625-Y633 HydrophobicContact CE1-CG 4.5Å; F625-Y633 AromaticContact CE1-CZ 3.84Å; F625-L657 HydrophobicContact CB-CD1 3.65Å; F625-L657 HydrophobicContact CB-CD2 4.33Å; F625-L657 HydrophobicContact CD1-CD1 3.89Å; F625-L657 HydrophobicContact CD1-CD2 4.09Å; F625-L657 HydrophobicContact CD1-CG 4.49Å; F625-L657 HydrophobicContact CD2-CD2 3.91Å; F625-L657 HydrophobicContact CE1-CD2 4.4Å; F625-L657 HydrophobicContact CE2-CD2 4.25Å; F625-L657 HydrophobicContact CG-CD1 3.83Å; F625-L657 HydrophobicContact CG-CD2 3.83Å; F625-L657 HydrophobicContact CG-CG 4.47Å; F625-L657 HydrophobicContact CZ-CD2 4.48Å
626	G	71.3	Confident	84.1	Confident	49 Å²	49	61.1 Å²	61.1	51%	0.505	32%	0.319	S	S	.	.			trans	-73.5	179.4	-178.4	0	0	0	0	0	114.5	M624 N628 A629	M624-G626 PolarHBondContact O-N 2.68Å; G626-N628 PolarHBondContact O-N 3.25Å; G626-N628 VanDerWaalsContact O-N 3.08Å; G626-A629 WeakPolarHBondContact O-CB 3.42Å; G626-A629 PolarHBondContact O-N 2.74Å
627	E	65.8	Low	84.2	Confident	193 Å²	193	58.1 Å²	58.1	90%	0.902	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-28.6	-173.9	-61.2	-177.7	142.1	0	0	114.4
628	N	68.4	Low	84.3	Confident	169 Å²	169	59 Å²	59	90%	0.904	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.6	22.7	176.8	-65.1	-27.1	0	0	0	113.5	G626	G626-N628 PolarHBondContact O-N 3.25Å; G626-N628 VanDerWaalsContact O-N 3.08Å
629	A	74.3	Confident	84.3	Confident	33 Å²	33	57.8 Å²	57.8	27%	0.273	30%	0.302	S	S	.	.			trans	-64.8	152.1	177	0	0	0	0	0	112.5	F625 G626 Y633 L657	F625-A629 HydrophobicContact CB-CB 3.99Å; G626-A629 WeakPolarHBondContact O-CB 3.42Å; G626-A629 PolarHBondContact O-N 2.74Å; A629-Y633 WeakPolarHBondContact CB-OH 3.45Å; A629-L657 HydrophobicContact CB-CD1 3.68Å
630	K	79.1	Confident	84.4	Confident	101 Å²	101	64 Å²	64	44%	0.439	33%	0.326	S	S	.	.			trans	-63.8	149.6	169.3	-56.8	-177.9	-174.2	177.2	0	109.3	D606 T632 Y633 L657	D606-K630 IonicContact OD1-NZ 2.74Å; D606-K630 PolarHBondContact OD1-NZ 2.81Å; D606-K630 IonicContact OD2-NZ 2.68Å; D606-K630 PolarHBondContact OD2-NZ 2.87Å; K630-T632 WeakPolarHBondContact CB-O 3.43Å; K630-T632 WeakPolarHBondContact CD-O 3.38Å; K630-T632 PolarHBondContact O-N 2.82Å; K630-Y633 HydrophobicContact CB-CD2 4.26Å; K630-Y633 HydrophobicContact CB-CE1 4.3Å; K630-Y633 HydrophobicContact CB-CE2 3.8Å; K630-Y633 HydrophobicContact CD-CD1 4.11Å; K630-Y633 HydrophobicContact CD-CE1 4.06Å; K630-Y633 HydrophobicContact CG-CE1 4.14Å; K630-Y633 PolarHBondContact N-OH 3.05Å; K630-Y633 VanDerWaalsContact N-OH 3.14Å; K630-Y633 WeakPolarHBondContact O-CE2 2.94Å; K630-L657 WeakPolarHBondContact O-CD1 3.31Å
631	S	78.2	Confident	84.5	Confident	87 Å²	87	59.9 Å²	59.9	61%	0.608	31%	0.31	S	S	*	.	S	Bend	trans	-65.6	-30.2	169.2	48.2	0	0	0	0	113	L657	S631-L657 PolarHBondContact O-N 3.48Å
632	T	86.4	Confident	84.6	Confident	42 Å²	42	63.5 Å²	63.5	26%	0.258	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	143.7	-178.6	40.9	0	0	0	0	110.2	K630 V654 V655 Y656	K630-T632 WeakPolarHBondContact CB-O 3.43Å; K630-T632 WeakPolarHBondContact CD-O 3.38Å; K630-T632 PolarHBondContact O-N 2.82Å; T632-V654 HydrophobicContact CG2-CG1 4.08Å; T632-V655 CarbonylContact C-O 3.59Å; T632-V655 WeakPolarHBondContact CA-O 3.41Å; T632-Y656 HydrophobicContact CG2-CD1 3.4Å; T632-Y656 HydrophobicContact CG2-CE1 3.38Å; T632-Y656 HydrophobicContact CG2-CG 4.02Å
633	Y	88.9	Confident	84.7	Confident	7 Å²	7	61.6 Å²	61.6	3%	0.027	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	148.6	168	-65.6	-100.7	0	0	0	108.8	D606 F609 F610 F625 A629 K630 V655 L657	D606-Y633 HydrophobicContact CB-CD1 3.91Å; D606-Y633 WeakPolarHBondContact OD2-CA 3.39Å; F609-Y633 HydrophobicContact CB-CD1 4.47Å; F609-Y633 AromaticContact CD1-CE1 3.85Å; F609-Y633 HydrophobicContact CD1-CE1 3.85Å; F609-Y633 AromaticContact CD2-CD1 3.95Å; F609-Y633 HydrophobicContact CD2-CD1 3.95Å; F609-Y633 AromaticContact CD2-CE1 3.74Å; F609-Y633 HydrophobicContact CD2-CE1 3.74Å; F609-Y633 AromaticContact CE1-CE1 3.87Å; F609-Y633 HydrophobicContact CE1-CE1 3.87Å; F609-Y633 HydrophobicContact CE2-CD1 4.34Å; F609-Y633 AromaticContact CE2-CE1 3.76Å; F609-Y633 HydrophobicContact CE2-CE1 3.76Å; F609-Y633 HydrophobicContact CG-CD1 4.07Å; F609-Y633 AromaticContact CG-CE1 3.79Å; F609-Y633 HydrophobicContact CG-CE1 3.79Å; F609-Y633 AromaticContact CZ-CE1 3.83Å; F609-Y633 HydrophobicContact CZ-CE1 3.83Å; F610-Y633 HydrophobicContact CE2-CD1 4.4Å; F610-Y633 HydrophobicContact CE2-CG 4.14Å; F610-Y633 HydrophobicContact CZ-CG 4.34Å; F625-Y633 HydrophobicContact CD1-CD2 4.39Å; F625-Y633 AromaticContact CD1-CE2 3.63Å; F625-Y633 HydrophobicContact CD1-CE2 3.63Å; F625-Y633 AromaticContact CD1-CZ 3.72Å; F625-Y633 HydrophobicContact CE1-CD2 4.04Å; F625-Y633 HydrophobicContact CE1-CE1 4.28Å; F625-Y633 AromaticContact CE1-CE2 3.7Å; F625-Y633 HydrophobicContact CE1-CE2 3.7Å; F625-Y633 HydrophobicContact CE1-CG 4.5Å; F625-Y633 AromaticContact CE1-CZ 3.84Å; A629-Y633 WeakPolarHBondContact CB-OH 3.45Å; K630-Y633 HydrophobicContact CB-CD2 4.26Å; K630-Y633 HydrophobicContact CB-CE1 4.3Å; K630-Y633 HydrophobicContact CB-CE2 3.8Å; K630-Y633 HydrophobicContact CD-CD1 4.11Å; K630-Y633 HydrophobicContact CD-CE1 4.06Å; K630-Y633 HydrophobicContact CG-CE1 4.14Å; K630-Y633 PolarHBondContact N-OH 3.05Å; K630-Y633 VanDerWaalsContact N-OH 3.14Å; K630-Y633 WeakPolarHBondContact O-CE2 2.94Å; Y633-V655 PolarHBondContact N-O 2.97Å; Y633-V655 PolarHBondContact O-N 2.83Å; Y633-L657 HydrophobicContact CD2-CG 4.48Å; Y633-L657 HydrophobicContact CE2-CD1 3.93Å; Y633-L657 HydrophobicContact CE2-CG 4.19Å
634	E	90.9	Very high	84.9	Confident	81 Å²	81	64.4 Å²	64.4	38%	0.379	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	128.7	-171.1	-63.5	168.2	143.7	0	0	108.8	G605 D606 Y652 V654	G605-E634 CarbonylContact C-O 3.59Å; G605-E634 WeakPolarHBondContact CA-O 3.36Å; D606-E634 PolarHBondContact N-O 2.96Å; D606-E634 PolarHBondContact OD2-N 3.18Å; E634-Y652 HydrophobicContact CB-CE2 4.45Å; E634-Y652 PolarHBondContact OE1-OH 3.03Å; E634-Y652 VanDerWaalsContact OE1-OH 3.13Å; E634-Y652 PolarHBondContact OE2-OH 2.87Å; E634-V654 HydrophobicContact CG-CG1 4.47Å
635	I	92.1	Very high	85.3	Confident	0 Å²	0	62.8 Å²	62.8	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	135.1	176.1	59.1	178.6	0	0	0	111	I602 F610 V619 V637 I653	I602-I635 HydrophobicContact CD1-CD1 4.39Å; I602-I635 HydrophobicContact CG2-CB 4.06Å; I602-I635 HydrophobicContact CG2-CG2 4.25Å; F610-I635 HydrophobicContact CB-CD1 4.32Å; F610-I635 HydrophobicContact CD2-CD1 4.39Å; F610-I635 HydrophobicContact CD2-CG2 3.66Å; F610-I635 HydrophobicContact CE2-CG2 4.32Å; F610-I635 HydrophobicContact CG-CD1 4.31Å; F610-I635 HydrophobicContact CG-CG2 4.42Å; V619-I635 HydrophobicContact CG1-CD1 3.85Å; I635-V637 HydrophobicContact CD1-CG2 4.34Å; I635-I653 HydrophobicContact CG1-CB 3.96Å; I635-I653 PolarHBondContact N-O 2.87Å; I635-I653 PolarHBondContact O-N 2.76Å
636	T	91.4	Very high	85.7	Confident	17 Å²	17	64.6 Å²	64.6	10%	0.104	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	114	169.6	-51.4	0	0	0	0	108	I602 S603 E604 A651	I602-T636 CarbonylContact C-O 3.48Å; I602-T636 WeakPolarHBondContact CA-O 3.22Å; S603-T636 PolarHBondContact N-O 2.84Å; S603-T636 WeakPolarHBondContact OG-CB 3.16Å; S603-T636 WeakPolarHBondContact OG-CG2 3.37Å; S603-T636 PolarHBondContact OG-O 3.25Å; E604-T636 PolarHBondContact O-N 3.26Å; T636-A651 WeakPolarHBondContact CA-O 3.15Å
637	V	92.1	Very high	86.8	Confident	0 Å²	0	64.5 Å²	64.5	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	135.5	172	179.8	0	0	0	0	108.9	V585 T601 I602 I612 V619 I635 S650 A651 I653	V585-V637 HydrophobicContact CB-CG1 4.2Å; V585-V637 HydrophobicContact CG1-CG1 3.95Å; V585-V637 HydrophobicContact CG2-CB 4.28Å; V585-V637 HydrophobicContact CG2-CG1 4.01Å; V585-V637 HydrophobicContact CG2-CG2 4.16Å; T601-V637 CarbonylContact O-C 3.58Å; T601-V637 WeakPolarHBondContact O-CA 3.4Å; I602-V637 HydrophobicContact CG1-CG2 4.18Å; I612-V637 HydrophobicContact CD1-CG1 3.48Å; I612-V637 VanDerWaalsContact CD1-CG1 3.48Å; I612-V637 HydrophobicContact CD1-CG2 4.18Å; V619-V637 HydrophobicContact CG2-CG2 4.48Å; I635-V637 HydrophobicContact CD1-CG2 4.34Å; V637-S650 CarbonylContact O-C 3.59Å; V637-S650 VanDerWaalsContact O-CA 3.28Å; V637-S650 WeakPolarHBondContact O-CA 3.47Å; V637-A651 PolarHBondContact N-O 2.98Å; V637-A651 PolarHBondContact O-N 3.21Å; V637-I653 HydrophobicContact CB-CD1 4.38Å; V637-I653 HydrophobicContact CG2-CD1 3.83Å
638	V	93	Very high	88.1	Confident	17 Å²	17	57.6 Å²	57.6	10%	0.103	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	127.3	174.9	173	0	0	0	0	109.1	Y600 T601 S603 A649	Y600-V638 WeakPolarHBondContact CA-O 3.4Å; T601-V638 PolarHBondContact N-O 2.91Å; T601-V638 PolarHBondContact O-N 2.92Å; S603-V638 VanDerWaalsContact OG-CG2 3.3Å; S603-V638 WeakPolarHBondContact OG-CG2 3.21Å; V638-A649 WeakPolarHBondContact CA-O 3.46Å
639	A	93.6	Very high	89.2	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	129.4	165.6	0	0	0	0	0	107.8	P556 M558 A587 T599 Y600 S648 A649	P556-A639 HydrophobicContact CB-CB 4.46Å; M558-A639 HydrophobicContact CE-CB 3.55Å; M558-A639 VanDerWaalsContact CE-N 3.33Å; M558-A639 HydrophobicContact SD-CB 4.17Å; A587-A639 HydrophobicContact CB-CB 3.67Å; T599-A639 WeakPolarHBondContact O-CA 3.49Å; Y600-A639 HydrophobicContact CD1-CB 3.79Å; Y600-A639 HydrophobicContact CE1-CB 3.69Å; A639-S648 CarbonylContact O-C 3.54Å; A639-S648 WeakPolarHBondContact O-CA 3.47Å; A639-S648 WeakPolarHBondContact O-CB 3.3Å; A639-A649 PolarHBondContact N-O 3.16Å; A639-A649 PolarHBondContact O-N 3.2Å; A639-A649 VanDerWaalsContact O-N 3.12Å
640	R	93.1	Very high	90	Very high	130 Å²	130	52.7 Å²	52.7	49%	0.491	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	135.8	-176.1	176.5	178.7	-75.3	-176.8	-2.9	110.4	L598 T599 S646	L598-R640 CarbonylContact C-O 3.59Å; L598-R640 WeakPolarHBondContact CA-O 3.38Å; T599-R640 PolarHBondContact N-O 2.62Å; T599-R640 PolarHBondContact O-N 2.6Å; T599-R640 PolarHBondContact OG1-O 3.29Å; R640-S646 VanDerWaalsContact CD-OG 3.29Å; R640-S646 WeakPolarHBondContact CD-OG 3.28Å; R640-S646 WeakPolarHBondContact CG-OG 3.43Å
641	D	94.2	Very high	90.6	Very high	3 Å²	3	47.9 Å²	47.9	2%	0.016	27%	0.265	C	S	.	.			trans	-67.4	-179.3	172.4	54.4	37.1	0	0	0	113.8	N552 N595 R597 S646 L647	N552-D641 PolarHBondContact ND2-OD2 2.79Å; N552-D641 PolarHBondContact OD1-OD2 3.17Å; N595-D641 WeakPolarHBondContact O-CB 3.34Å; R597-D641 CarbonylContact O-C 3.59Å; R597-D641 WeakPolarHBondContact O-CA 3.17Å; D641-S646 WeakPolarHBondContact OD1-CA 3.17Å; D641-S646 WeakPolarHBondContact OD1-CB 3.36Å; D641-S646 PolarHBondContact OD1-OG 3.08Å; D641-L647 VanDerWaalsContact CG-O 3.26Å; D641-L647 PolarHBondContact N-O 2.92Å; D641-L647 PolarHBondContact OD1-N 3.28Å; D641-L647 WeakPolarHBondContact OD2-CA 3.5Å; D641-L647 VanDerWaalsContact OD2-CB 3.22Å; D641-L647 WeakPolarHBondContact OD2-CB 3.34Å; D641-L647 PolarHBondContact OD2-N 2.92Å; D641-L647 VanDerWaalsContact OD2-O 3.08Å
642	H	91.3	Very high	91.2	Very high	76 Å²	76	47.6 Å²	47.6	35%	0.352	25%	0.251	S	S	.	.	S	Bend	trans	-114.5	7.8	172.6	-77.3	-125.9	0	0	0	112.6	E594 R597 T599	E594-H642 HydrophobicContact CB-CB 4.31Å; E594-H642 CarbonylContact O-C 3.54Å; E594-H642 WeakPolarHBondContact O-CA 3.2Å; E594-H642 WeakPolarHBondContact O-CB 3.3Å; E594-H642 PolarHBondContact O-N 2.95Å; E594-H642 VanDerWaalsContact O-N 3.1Å; E594-H642 WeakPolarHBondContact OE2-CB 3.45Å; E594-H642 IonicContact OE2-CG 3.73Å; R597-H642 PolarHBondContact NH1-ND1 2.84Å; R597-H642 PolarHBondContact O-CD2 2.74Å; R597-H642 PolarHBondContact O-N 3.38Å; T599-H642 WeakPolarHBondContact CG2-NE2 3.21Å; T599-H642 PolarHBondContact OG1-NE2 3.05Å
643	G	88.6	Confident	91.4	Very high	7 Å²	7	45.6 Å²	45.6	7%	0.072	24%	0.239	C	C	.	.	S	Bend	trans	-79	-172.3	178.6	0	0	0	0	0	115.6	N552 E594 N595 P645 S646	N552-G643 WeakPolarHBondContact OD1-CA 3.38Å; N552-G643 PolarHBondContact OD1-N 2.83Å; E594-G643 PolarHBondContact O-N 2.89Å; N595-G643 WeakPolarHBondContact OD1-CA 3.29Å; G643-P645 CarbonylContact C-O 3.48Å; G643-S646 WeakPolarHBondContact O-CB 3.44Å; G643-S646 PolarHBondContact O-N 3.27Å
644	K	86.6	Confident	91.4	Very high	194 Å²	194	45.9 Å²	45.9	84%	0.843	24%	0.241	S	C	*	.	S	Bend	trans	-145.6	107.7	-167.9	-67.5	175.5	-172.1	156.3	0	111.6
645	P	89.8	Confident	91.3	Very high	99 Å²	99	42 Å²	42	64%	0.643	22%	0.223	S	C	*	.	S	Bend	cis	-61.7	153.7	-2.5	30.3	-36.8	0	0	0	111.8	G643	G643-P645 CarbonylContact C-O 3.48Å
646	S	91.3	Very high	91	Very high	51 Å²	51	46 Å²	46	36%	0.357	24%	0.239	S	C	.	.	P	Polyproline II helix	trans	-89.7	125.3	176.6	171.4	0	0	0	0	110	R640 D641 G643	R640-S646 VanDerWaalsContact CD-OG 3.29Å; R640-S646 WeakPolarHBondContact CD-OG 3.28Å; R640-S646 WeakPolarHBondContact CG-OG 3.43Å; D641-S646 WeakPolarHBondContact OD1-CA 3.17Å; D641-S646 WeakPolarHBondContact OD1-CB 3.36Å; D641-S646 PolarHBondContact OD1-OG 3.08Å; G643-S646 WeakPolarHBondContact O-CB 3.44Å; G643-S646 PolarHBondContact O-N 3.27Å
647	L	93.3	Very high	90.6	Very high	48 Å²	48	45.9 Å²	45.9	25%	0.251	24%	0.237	S	C	.	.	P	Polyproline II helix	trans	-102.2	162.9	179.4	-51.8	177.1	0	0	0	109.9	N552 N554 T555 D641	N552-L647 WeakPolarHBondContact ND2-CD1 3.43Å; N552-L647 WeakPolarHBondContact ND2-CG 3.2Å; N554-L647 WeakPolarHBondContact O-CD1 3.29Å; T555-L647 HydrophobicContact CG2-CB 4.33Å; D641-L647 VanDerWaalsContact CG-O 3.26Å; D641-L647 PolarHBondContact N-O 2.92Å; D641-L647 PolarHBondContact OD1-N 3.28Å; D641-L647 WeakPolarHBondContact OD2-CA 3.5Å; D641-L647 VanDerWaalsContact OD2-CB 3.22Å; D641-L647 WeakPolarHBondContact OD2-CB 3.34Å; D641-L647 PolarHBondContact OD2-N 2.92Å; D641-L647 VanDerWaalsContact OD2-O 3.08Å
648	S	93.3	Very high	89.7	Confident	48 Å²	48	47.7 Å²	47.7	34%	0.336	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.6	138.2	-175.9	61	0	0	0	0	113	A639	A639-S648 CarbonylContact O-C 3.54Å; A639-S648 WeakPolarHBondContact O-CA 3.47Å; A639-S648 WeakPolarHBondContact O-CB 3.3Å
649	A	92	Very high	88.1	Confident	24 Å²	24	51 Å²	51	20%	0.198	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	154.7	166.3	0	0	0	0	0	112.3	P556 M558 V638 A639	P556-A649 WeakPolarHBondContact O-CB 3.11Å; M558-A649 WeakPolarHBondContact CE-O 3.48Å; M558-A649 HydrophobicContact CG-CB 4.23Å; V638-A649 WeakPolarHBondContact CA-O 3.46Å; A639-A649 PolarHBondContact N-O 3.16Å; A639-A649 PolarHBondContact O-N 3.2Å; A639-A649 VanDerWaalsContact O-N 3.12Å
650	S	91.5	Very high	86.1	Confident	74 Å²	74	55.5 Å²	55.5	52%	0.517	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	148.7	174.8	56.3	0	0	0	0	111.9	V637	V637-S650 CarbonylContact O-C 3.59Å; V637-S650 VanDerWaalsContact O-CA 3.28Å; V637-S650 WeakPolarHBondContact O-CA 3.47Å
651	A	90.6	Very high	83.9	Confident	1 Å²	1	56.4 Å²	56.4	1%	0.008	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	121.4	174.5	0	0	0	0	0	108.4	M558 L563 T636 V637 I653	M558-A651 HydrophobicContact CE-CB 3.95Å; M558-A651 HydrophobicContact CG-CB 4.12Å; M558-A651 HydrophobicContact SD-CB 4.06Å; L563-A651 HydrophobicContact CD1-CB 4.05Å; L563-A651 HydrophobicContact CD2-CB 3.82Å; T636-A651 WeakPolarHBondContact CA-O 3.15Å; V637-A651 PolarHBondContact N-O 2.98Å; V637-A651 PolarHBondContact O-N 3.21Å; A651-I653 HydrophobicContact CB-CG1 4.38Å
652	Y	90.9	Very high	81.4	Confident	80 Å²	80	64.3 Å²	64.3	31%	0.314	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	104.7	177.3	-173.4	-97.9	0	0	0	110.1	G566 T567 A568 E634 V654	G566-Y652 PolarHBondContact O-N 3.46Å; T567-Y652 CarbonylContact C-O 3.48Å; T567-Y652 WeakPolarHBondContact CA-O 3.3Å; T567-Y652 HydrophobicContact CG2-CD1 3.8Å; T567-Y652 HydrophobicContact CG2-CG 4.43Å; A568-Y652 PolarHBondContact N-O 2.92Å; E634-Y652 HydrophobicContact CB-CE2 4.45Å; E634-Y652 PolarHBondContact OE1-OH 3.03Å; E634-Y652 VanDerWaalsContact OE1-OH 3.13Å; E634-Y652 PolarHBondContact OE2-OH 2.87Å; Y652-V654 HydrophobicContact CD1-CG2 3.91Å; Y652-V654 HydrophobicContact CE1-CG2 3.62Å
653	I	90.6	Very high	79	Confident	0 Å²	0	64 Å²	64	0%	0	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	115.5	-172.5	-49.4	-177.4	0	0	0	109.6	P561 A568 V570 T583 V585 I635 V637 A651 V655	P561-I653 HydrophobicContact CG-CD1 4.3Å; A568-I653 CarbonylContact O-C 3.54Å; A568-I653 WeakPolarHBondContact O-CA 3.17Å; V570-I653 HydrophobicContact CB-CG2 4.33Å; V570-I653 HydrophobicContact CG2-CG2 3.73Å; T583-I653 HydrophobicContact CG2-CD1 4.17Å; V585-I653 HydrophobicContact CG2-CD1 3.58Å; I635-I653 HydrophobicContact CG1-CB 3.96Å; I635-I653 PolarHBondContact N-O 2.87Å; I635-I653 PolarHBondContact O-N 2.76Å; V637-I653 HydrophobicContact CB-CD1 4.38Å; V637-I653 HydrophobicContact CG2-CD1 3.83Å; A651-I653 HydrophobicContact CB-CG1 4.38Å; I653-V655 HydrophobicContact CG2-CG2 4.18Å
654	V	89.8	Confident	77.1	Confident	14 Å²	14	72.6 Å²	72.6	9%	0.085	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	116.4	173.4	-171.7	0	0	0	0	108.6	A568 V570 T632 E634 Y652 Y656	A568-V654 PolarHBondContact O-N 2.87Å; V570-V654 PolarHBondContact N-O 3.34Å; T632-V654 HydrophobicContact CG2-CG1 4.08Å; E634-V654 HydrophobicContact CG-CG1 4.47Å; Y652-V654 HydrophobicContact CD1-CG2 3.91Å; Y652-V654 HydrophobicContact CE1-CG2 3.62Å; V654-Y656 HydrophobicContact CB-CE2 3.88Å; V654-Y656 HydrophobicContact CG1-CD2 4.06Å; V654-Y656 HydrophobicContact CG1-CE2 3.42Å; V654-Y656 VanDerWaalsContact CG1-CE2 3.42Å
655	V	88.5	Confident	75.1	Confident	0 Å²	0	72.1 Å²	72.1	0%	0	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	108.5	-177.5	-175	0	0	0	0	109.4	V570 I572 V582 F610 T632 Y633 I653	V570-V655 CarbonylContact O-C 3.51Å; V570-V655 VanDerWaalsContact O-CA 3.3Å; V570-V655 WeakPolarHBondContact O-CA 3.34Å; I572-V655 HydrophobicContact CD1-CG1 3.64Å; I572-V655 HydrophobicContact CG1-CG1 3.83Å; I572-V655 HydrophobicContact CG2-CG1 4.22Å; V582-V655 HydrophobicContact CG1-CG1 3.97Å; V582-V655 HydrophobicContact CG1-CG2 3.87Å; F610-V655 HydrophobicContact CE1-CG1 4.2Å; F610-V655 HydrophobicContact CZ-CB 4.11Å; F610-V655 HydrophobicContact CZ-CG1 3.92Å; F610-V655 HydrophobicContact CZ-CG2 4.24Å; T632-V655 CarbonylContact C-O 3.59Å; T632-V655 WeakPolarHBondContact CA-O 3.41Å; Y633-V655 PolarHBondContact N-O 2.97Å; Y633-V655 PolarHBondContact O-N 2.83Å; I653-V655 HydrophobicContact CG2-CG2 4.18Å
656	Y	86.4	Confident	72.8	Confident	84 Å²	84	73.1 Å²	73.1	33%	0.329	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	134.8	178.5	-67	-98.8	0	0	0	110.8	E569 V570 S571 I572 T632 V654	E569-Y656 HydrophobicContact CB-CD2 4.45Å; E569-Y656 HydrophobicContact CB-CE2 3.96Å; E569-Y656 HydrophobicContact CG-CE2 3.91Å; V570-Y656 PolarHBondContact O-N 2.6Å; S571-Y656 WeakPolarHBondContact CA-O 3.36Å; I572-Y656 PolarHBondContact N-O 3.12Å; T632-Y656 HydrophobicContact CG2-CD1 3.4Å; T632-Y656 HydrophobicContact CG2-CE1 3.38Å; T632-Y656 HydrophobicContact CG2-CG 4.02Å; V654-Y656 HydrophobicContact CB-CE2 3.88Å; V654-Y656 HydrophobicContact CG1-CD2 4.06Å; V654-Y656 HydrophobicContact CG1-CE2 3.42Å; V654-Y656 VanDerWaalsContact CG1-CE2 3.42Å
657	L	83.1	Confident	70.6	Confident	13 Å²	13	78.3 Å²	78.3	7%	0.068	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	104.4	168.2	-67.9	-171.5	0	0	0	110.4	I572 F625 A629 K630 S631 Y633	I572-L657 HydrophobicContact CD1-CD2 3.92Å; I572-L657 HydrophobicContact CG1-CD2 3.64Å; I572-L657 WeakPolarHBondContact O-CA 3.39Å; F625-L657 HydrophobicContact CB-CD1 3.65Å; F625-L657 HydrophobicContact CB-CD2 4.33Å; F625-L657 HydrophobicContact CD1-CD1 3.89Å; F625-L657 HydrophobicContact CD1-CD2 4.09Å; F625-L657 HydrophobicContact CD1-CG 4.49Å; F625-L657 HydrophobicContact CD2-CD2 3.91Å; F625-L657 HydrophobicContact CE1-CD2 4.4Å; F625-L657 HydrophobicContact CE2-CD2 4.25Å; F625-L657 HydrophobicContact CG-CD1 3.83Å; F625-L657 HydrophobicContact CG-CD2 3.83Å; F625-L657 HydrophobicContact CG-CG 4.47Å; F625-L657 HydrophobicContact CZ-CD2 4.48Å; A629-L657 HydrophobicContact CB-CD1 3.68Å; K630-L657 WeakPolarHBondContact O-CD1 3.31Å; S631-L657 PolarHBondContact O-N 3.48Å; Y633-L657 HydrophobicContact CD2-CG 4.48Å; Y633-L657 HydrophobicContact CE2-CD1 3.93Å; Y633-L657 HydrophobicContact CE2-CG 4.19Å
658	S	72.3	Confident	68.4	Low	39 Å²	39	78.4 Å²	78.4	27%	0.273	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	142.6	175.4	59.4	0	0	0	0	111.5	I572 P573 R574	I572-S658 PolarHBondContact O-N 2.8Å; I572-S658 PolarHBondContact O-OG 2.99Å; P573-S658 WeakPolarHBondContact CA-OG 3.31Å; R574-S658 PolarHBondContact N-O 2.99Å
659	P	60	Low	66.3	Low	87 Å²	87	82.1 Å²	82.1	57%	0.565	46%	0.464	S	S	*	.			trans	-69.7	152.1	173	30.7	-34.8	0	0	0	111	L661	P659-L661 PolarHBondContact O-N 3.13Å
660	D	50	Low	64.7	Low	93 Å²	93	86.1 Å²	86.1	50%	0.497	49%	0.486	S	S	.	.			trans	-64.8	92.8	-172.5	-62.9	-79.3	0	0	0	113.4	N575 N662	N575-D660 PolarHBondContact ND2-OD1 3.42Å; D660-N662 PolarHBondContact O-N 3.13Å
661	L	48.5	Very low	63.3	Low	149 Å²	149	88.1 Å²	88.1	78%	0.78	49%	0.491	S	S	*	.			trans	-79.2	63.7	177.9	-88.9	163.6	0	0	0	112.8	P659 A663	P659-L661 PolarHBondContact O-N 3.13Å; L661-A663 PolarHBondContact O-N 3.14Å
662	N	42	Very low	61.8	Low	169 Å²	169	93.5 Å²	93.5	90%	0.904	52%	0.519	S	S	*	.			trans	-79.1	67.4	163.3	-102	-17.7	0	0	0	110.3	D660	D660-N662 PolarHBondContact O-N 3.13Å
663	A	40.2	Very low	60.5	Low	71 Å²	71	93.1 Å²	93.1	59%	0.587	53%	0.528	S	S	*	.			trans	-143.1	122.5	174.5	0	0	0	0	0	112	L661 E665	L661-A663 PolarHBondContact O-N 3.14Å; A663-E665 PolarHBondContact O-N 2.94Å; A663-E665 VanDerWaalsContact O-N 3.16Å
664	Q	49.1	Very low	59.4	Low	186 Å²	186	98.3 Å²	98.3	87%	0.869	56%	0.555	S	S	*	*			trans	-83.2	81	179.2	-178.5	-179	-33.2	0	0	110.3	T666	Q664-T666 PolarHBondContact O-N 3.07Å
665	E	43.9	Very low	58.4	Low	185 Å²	185	102.1 Å²	102.1	86%	0.864	57%	0.574	S	S	*	*			trans	-72.7	117.7	171	-73.8	-151.4	133.4	0	0	111.1	A663	A663-E665 PolarHBondContact O-N 2.94Å; A663-E665 VanDerWaalsContact O-N 3.16Å
666	T	41.3	Very low	57.4	Low	120 Å²	120	108.3 Å²	108.3	74%	0.736	60%	0.601	S	S	*	*			trans	-76.8	130	-177	48.8	0	0	0	0	111.9	Q664 G668	Q664-T666 PolarHBondContact O-N 3.07Å; T666-G668 PolarHBondContact O-N 2.88Å; T666-G668 VanDerWaalsContact O-N 3.13Å
667	I	45.3	Very low	56.8	Low	160 Å²	160	109.9 Å²	109.9	82%	0.821	61%	0.614	S	S	*	*			trans	-52	115.1	175.2	-61.2	166.3	0	0	0	110.8
668	G	46.4	Very low	56.3	Low	50 Å²	50	114.3 Å²	114.3	52%	0.515	64%	0.637	S	S	.	*			trans	-67.8	136.4	165.6	0	0	0	0	0	110.5	T666 V670	T666-G668 PolarHBondContact O-N 2.88Å; T666-G668 VanDerWaalsContact O-N 3.13Å; G668-V670 PolarHBondContact O-N 3.22Å
669	P	49.8	Very low	56.3	Low	126 Å²	126	114.3 Å²	114.3	82%	0.818	64%	0.639	S	S	*	*			trans	-73.4	94.8	-171.6	28.8	-35.2	0	0	0	112.1	N671	P669-N671 PolarHBondContact O-N 3.32Å
670	V	57.9	Low	57.3	Low	107 Å²	107	115.4 Å²	115.4	65%	0.648	64%	0.639	S	S	*	*			trans	-67	126.1	168.8	-172.4	0	0	0	0	108.8	G668 L672 I675	G668-V670 PolarHBondContact O-N 3.22Å; V670-L672 PolarHBondContact O-N 2.71Å; V670-I675 HydrophobicContact CG1-CD1 4Å
671	N	62.1	Low	58.7	Low	116 Å²	116	112.9 Å²	112.9	62%	0.62	64%	0.635	S	S	*	*			trans	-66.9	92.3	-177.3	-88.5	-63.8	0	0	0	111.9	P669 S673 L674	P669-N671 PolarHBondContact O-N 3.32Å; N671-S673 PolarHBondContact O-N 2.76Å; N671-S673 VanDerWaalsContact O-N 3.1Å; N671-L674 PolarHBondContact O-N 2.78Å
672	L	60.2	Low	60	Low	114 Å²	114	108.5 Å²	108.5	60%	0.597	62%	0.617	S	S	*	*	H	α-helix	trans	-51.7	-32.6	176.7	-115.4	69.7	0	0	0	112.9	V670 L674 I675 F676	V670-L672 PolarHBondContact O-N 2.71Å; L672-L674 VanDerWaalsContact C-N 3.32Å; L672-L674 PolarHBondContact O-N 2.8Å; L672-I675 PolarHBondContact O-N 3.28Å; L672-F676 HydrophobicContact CD2-CE2 4.47Å; L672-F676 WeakPolarHBondContact O-CD2 3.18Å; L672-F676 PolarHBondContact O-N 3.29Å
673	S	63.8	Low	61.9	Low	72 Å²	72	105 Å²	105	50%	0.503	60%	0.597	S	S	.	*	H	α-helix	trans	-57.6	-39.4	175.5	47.1	0	0	0	0	113.2	N671 I677	N671-S673 PolarHBondContact O-N 2.76Å; N671-S673 VanDerWaalsContact O-N 3.1Å; S673-I677 WeakPolarHBondContact O-CB 2.85Å; S673-I677 WeakPolarHBondContact O-CD1 3.2Å; S673-I677 VanDerWaalsContact O-CG1 3.23Å; S673-I677 WeakPolarHBondContact O-CG1 3.19Å; S673-I677 PolarHBondContact O-N 3.42Å
674	L	66.8	Low	63.8	Low	109 Å²	109	104.3 Å²	104.3	57%	0.571	59%	0.591	S	S	*	*	H	α-helix	trans	-69.1	-42	177.3	-164.3	80.9	0	0	0	111	N671 L672 I677 I678	N671-L674 PolarHBondContact O-N 2.78Å; L672-L674 VanDerWaalsContact C-N 3.32Å; L672-L674 PolarHBondContact O-N 2.8Å; L674-I677 PolarHBondContact O-N 2.91Å; L674-I678 HydrophobicContact CD2-CD1 4.35Å; L674-I678 HydrophobicContact CG-CD1 4.12Å; L674-I678 WeakPolarHBondContact O-CG1 3.42Å; L674-I678 PolarHBondContact O-N 3.3Å
675	I	68.3	Low	65.3	Low	94 Å²	94	97.8 Å²	97.8	48%	0.482	57%	0.569	S	S	.	*	H	α-helix	trans	-64.9	-42.1	177.4	-62.7	174.9	0	0	0	110.3	V670 L672 I678 A679	V670-I675 HydrophobicContact CG1-CD1 4Å; L672-I675 PolarHBondContact O-N 3.28Å; I675-I678 PolarHBondContact O-N 3.36Å; I675-A679 VanDerWaalsContact O-CB 3.25Å; I675-A679 WeakPolarHBondContact O-CB 3.08Å; I675-A679 PolarHBondContact O-N 3.44Å
676	F	67.6	Low	67.1	Low	131 Å²	131	93.9 Å²	93.9	58%	0.575	55%	0.553	S	S	*	*	H	α-helix	trans	-64	-37.8	174.1	-96.4	-79.7	0	0	0	112.9	L672 L680	L672-F676 HydrophobicContact CD2-CE2 4.47Å; L672-F676 WeakPolarHBondContact O-CD2 3.18Å; L672-F676 PolarHBondContact O-N 3.29Å; F676-L680 VanDerWaalsContact O-CB 3.28Å; F676-L680 WeakPolarHBondContact O-CB 3.29Å; F676-L680 WeakPolarHBondContact O-CG 3.24Å; F676-L680 PolarHBondContact O-N 2.76Å
677	I	74.3	Confident	69	Low	117 Å²	117	93.1 Å²	93.1	60%	0.6	54%	0.544	S	S	*	.	H	α-helix	trans	-66.8	-42.3	174.9	-71.7	164.2	0	0	0	111	S673 L674 G681	S673-I677 WeakPolarHBondContact O-CB 2.85Å; S673-I677 WeakPolarHBondContact O-CD1 3.2Å; S673-I677 VanDerWaalsContact O-CG1 3.23Å; S673-I677 WeakPolarHBondContact O-CG1 3.19Å; S673-I677 PolarHBondContact O-N 3.42Å; L674-I677 PolarHBondContact O-N 2.91Å; I677-G681 PolarHBondContact O-N 3.2Å
678	I	72.9	Confident	70.7	Confident	106 Å²	106	92.3 Å²	92.3	54%	0.544	54%	0.535	S	S	.	.	H	α-helix	trans	-67.4	-39.5	177	-67.8	166.5	0	0	0	111	L674 I675 G681 S682	L674-I678 HydrophobicContact CD2-CD1 4.35Å; L674-I678 HydrophobicContact CG-CD1 4.12Å; L674-I678 WeakPolarHBondContact O-CG1 3.42Å; L674-I678 PolarHBondContact O-N 3.3Å; I675-I678 PolarHBondContact O-N 3.36Å; I678-G681 PolarHBondContact O-N 3.03Å; I678-S682 WeakPolarHBondContact O-CB 3.28Å; I678-S682 PolarHBondContact O-N 3.33Å; I678-S682 PolarHBondContact O-OG 3.16Å
679	A	72.5	Confident	72.3	Confident	38 Å²	38	95.3 Å²	95.3	31%	0.314	54%	0.538	S	S	.	.	H	α-helix	trans	-68.3	-43	176	0	0	0	0	0	112.6	I675 G681 S682 I683	I675-A679 VanDerWaalsContact O-CB 3.25Å; I675-A679 WeakPolarHBondContact O-CB 3.08Å; I675-A679 PolarHBondContact O-N 3.44Å; A679-G681 VanDerWaalsContact C-N 3.33Å; A679-S682 PolarHBondContact O-N 3.45Å; A679-S682 PolarHBondContact O-OG 2.82Å; A679-S682 VanDerWaalsContact O-OG 3.11Å; A679-I683 VanDerWaalsContact O-CB 3.3Å; A679-I683 WeakPolarHBondContact O-CB 3.18Å; A679-I683 WeakPolarHBondContact O-CD1 3.27Å; A679-I683 WeakPolarHBondContact O-CG1 3.3Å; A679-I683 PolarHBondContact O-N 2.82Å
680	L	79.6	Confident	73.8	Confident	111 Å²	111	92.4 Å²	92.4	58%	0.581	52%	0.518	S	S	*	.	H	α-helix	trans	-65.4	-38.4	173.4	-78.4	164.5	0	0	0	111.4	F676 A684	F676-L680 VanDerWaalsContact O-CB 3.28Å; F676-L680 WeakPolarHBondContact O-CB 3.29Å; F676-L680 WeakPolarHBondContact O-CG 3.24Å; F676-L680 PolarHBondContact O-N 2.76Å; L680-A684 WeakPolarHBondContact O-CB 3.34Å; L680-A684 PolarHBondContact O-N 3.41Å
681	G	79.4	Confident	74.8	Confident	40 Å²	40	92.8 Å²	92.8	41%	0.412	51%	0.514	S	S	.	.	H	α-helix	trans	-63.8	-44.1	174.7	0	0	0	0	0	113	I677 I678 A679 A685	I677-G681 PolarHBondContact O-N 3.2Å; I678-G681 PolarHBondContact O-N 3.03Å; A679-G681 VanDerWaalsContact C-N 3.33Å; G681-A685 WeakPolarHBondContact O-CB 3.47Å; G681-A685 PolarHBondContact O-N 2.85Å
682	S	76.3	Confident	75.7	Confident	57 Å²	57	91.4 Å²	91.4	40%	0.399	51%	0.506	S	S	.	.	H	α-helix	trans	-71.9	-39.5	177.7	64.9	0	0	0	0	112.4	I678 A679 A685 I686	I678-S682 WeakPolarHBondContact O-CB 3.28Å; I678-S682 PolarHBondContact O-N 3.33Å; I678-S682 PolarHBondContact O-OG 3.16Å; A679-S682 PolarHBondContact O-N 3.45Å; A679-S682 PolarHBondContact O-OG 2.82Å; A679-S682 VanDerWaalsContact O-OG 3.11Å; S682-A685 PolarHBondContact O-N 3.35Å; S682-I686 WeakPolarHBondContact O-CB 3.36Å; S682-I686 WeakPolarHBondContact O-CD1 3.39Å; S682-I686 VanDerWaalsContact O-CG1 3.22Å; S682-I686 WeakPolarHBondContact O-CG1 3.38Å; S682-I686 PolarHBondContact O-N 2.9Å
683	I	81.9	Confident	76.4	Confident	95 Å²	95	93.1 Å²	93.1	49%	0.487	51%	0.509	S	S	.	.	H	α-helix	trans	-62.1	-44.2	172.3	-69.9	165.7	0	0	0	110.5	A679 I686 L687	A679-I683 VanDerWaalsContact O-CB 3.3Å; A679-I683 WeakPolarHBondContact O-CB 3.18Å; A679-I683 WeakPolarHBondContact O-CD1 3.27Å; A679-I683 WeakPolarHBondContact O-CG1 3.3Å; A679-I683 PolarHBondContact O-N 2.82Å; I683-I686 PolarHBondContact O-N 3.24Å; I683-L687 HydrophobicContact CG2-CD1 3.9Å; I683-L687 HydrophobicContact CG2-CG 4.43Å; I683-L687 WeakPolarHBondContact O-CB 3.47Å; I683-L687 VanDerWaalsContact O-CG 3.29Å; I683-L687 WeakPolarHBondContact O-CG 3.35Å; I683-L687 PolarHBondContact O-N 3.46Å
684	A	81.6	Confident	76.9	Confident	56 Å²	56	93.1 Å²	93.1	46%	0.463	51%	0.505	S	S	.	.	H	α-helix	trans	-63.6	-41	175.6	0	0	0	0	0	112.2	L680 L687 F688	L680-A684 WeakPolarHBondContact O-CB 3.34Å; L680-A684 PolarHBondContact O-N 3.41Å; A684-L687 PolarHBondContact O-N 2.89Å; A684-F688 WeakPolarHBondContact O-CB 3.31Å; A684-F688 PolarHBondContact O-N 2.87Å
685	A	78.9	Confident	77.1	Confident	49 Å²	49	90.7 Å²	90.7	41%	0.405	50%	0.502	S	S	.	.	H	α-helix	trans	-65.1	-41.9	175.5	0	0	0	0	0	112.2	G681 S682 F688 I689	G681-A685 WeakPolarHBondContact O-CB 3.47Å; G681-A685 PolarHBondContact O-N 2.85Å; S682-A685 PolarHBondContact O-N 3.35Å; A685-F688 PolarHBondContact O-N 2.86Å; A685-I689 WeakPolarHBondContact O-CB 3.22Å; A685-I689 VanDerWaalsContact O-CG1 3.27Å; A685-I689 WeakPolarHBondContact O-CG1 3.36Å; A685-I689 PolarHBondContact O-N 2.83Å
686	I	81.5	Confident	77.3	Confident	103 Å²	103	90.4 Å²	90.4	53%	0.528	50%	0.504	S	S	.	.	H	α-helix	trans	-65.5	-41.6	175.4	-69.8	164	0	0	0	110.5	S682 I683 F688 I689 T690	S682-I686 WeakPolarHBondContact O-CB 3.36Å; S682-I686 WeakPolarHBondContact O-CD1 3.39Å; S682-I686 VanDerWaalsContact O-CG1 3.22Å; S682-I686 WeakPolarHBondContact O-CG1 3.38Å; S682-I686 PolarHBondContact O-N 2.9Å; I683-I686 PolarHBondContact O-N 3.24Å; I686-F688 VanDerWaalsContact C-N 3.33Å; I686-F688 PolarHBondContact O-N 3.28Å; I686-I689 PolarHBondContact O-N 2.85Å; I686-T690 HydrophobicContact CG2-CG2 4.42Å; I686-T690 WeakPolarHBondContact O-CB 3.39Å; I686-T690 WeakPolarHBondContact O-CG2 3.23Å; I686-T690 PolarHBondContact O-N 3.11Å; I686-T690 PolarHBondContact O-OG1 3.38Å
687	L	81.3	Confident	77.2	Confident	104 Å²	104	89.7 Å²	89.7	55%	0.545	50%	0.5	S	S	.	.	H	α-helix	trans	-64.5	-35.7	173.7	-73.8	171.5	0	0	0	112.4	I683 A684 T690 M691	I683-L687 HydrophobicContact CG2-CD1 3.9Å; I683-L687 HydrophobicContact CG2-CG 4.43Å; I683-L687 WeakPolarHBondContact O-CB 3.47Å; I683-L687 VanDerWaalsContact O-CG 3.29Å; I683-L687 WeakPolarHBondContact O-CG 3.35Å; I683-L687 PolarHBondContact O-N 3.46Å; A684-L687 PolarHBondContact O-N 2.89Å; L687-T690 WeakPolarHBondContact CA-OG1 3.37Å; L687-T690 PolarHBondContact O-OG1 2.86Å; L687-M691 VanDerWaalsContact O-CB 3.23Å; L687-M691 WeakPolarHBondContact O-CB 3.35Å; L687-M691 WeakPolarHBondContact O-CG 3.23Å; L687-M691 PolarHBondContact O-N 3.38Å
688	F	81.8	Confident	76.5	Confident	143 Å²	143	88.1 Å²	88.1	63%	0.627	50%	0.499	S	S	*	.	H	α-helix	trans	-72.2	-42.2	175.9	-160.3	-107.4	0	0	0	112.1	A684 A685 I686 M691 I692	A684-F688 WeakPolarHBondContact O-CB 3.31Å; A684-F688 PolarHBondContact O-N 2.87Å; A685-F688 PolarHBondContact O-N 2.86Å; I686-F688 VanDerWaalsContact C-N 3.33Å; I686-F688 PolarHBondContact O-N 3.28Å; F688-M691 PolarHBondContact O-N 3.13Å; F688-I692 HydrophobicContact CD1-CD1 3.71Å; F688-I692 HydrophobicContact CE1-CD1 3.62Å; F688-I692 HydrophobicContact CZ-CD1 4.42Å; F688-I692 WeakPolarHBondContact O-CB 3.25Å; F688-I692 WeakPolarHBondContact O-CG1 3.28Å; F688-I692 PolarHBondContact O-N 3.49Å
689	I	80.8	Confident	76.1	Confident	114 Å²	114	91.8 Å²	91.8	59%	0.585	51%	0.511	S	S	*	.	H	α-helix	trans	-65.4	-43	175.3	-70.6	166.3	0	0	0	110.7	A685 I686 I692 F693	A685-I689 WeakPolarHBondContact O-CB 3.22Å; A685-I689 VanDerWaalsContact O-CG1 3.27Å; A685-I689 WeakPolarHBondContact O-CG1 3.36Å; A685-I689 PolarHBondContact O-N 2.83Å; I686-I689 PolarHBondContact O-N 2.85Å; I689-I692 PolarHBondContact O-N 3.41Å; I689-F693 WeakPolarHBondContact O-CB 3.44Å; I689-F693 PolarHBondContact O-N 2.85Å
690	T	79.4	Confident	75.2	Confident	64 Å²	64	99.4 Å²	99.4	39%	0.393	53%	0.532	S	S	.	.	H	α-helix	trans	-70	-34.4	175.6	51.2	0	0	0	0	112.2	I686 L687 F693 V694	I686-T690 HydrophobicContact CG2-CG2 4.42Å; I686-T690 WeakPolarHBondContact O-CB 3.39Å; I686-T690 WeakPolarHBondContact O-CG2 3.23Å; I686-T690 PolarHBondContact O-N 3.11Å; I686-T690 PolarHBondContact O-OG1 3.38Å; L687-T690 WeakPolarHBondContact CA-OG1 3.37Å; L687-T690 PolarHBondContact O-OG1 2.86Å; T690-F693 PolarHBondContact O-N 2.9Å; T690-V694 VanDerWaalsContact O-CB 3.3Å; T690-V694 WeakPolarHBondContact O-CB 3.3Å; T690-V694 VanDerWaalsContact O-CG2 3.24Å; T690-V694 WeakPolarHBondContact O-CG2 3.17Å; T690-V694 PolarHBondContact O-N 3.32Å
691	M	80.1	Confident	73.7	Confident	115 Å²	115	97.4 Å²	97.4	57%	0.567	52%	0.522	S	S	*	.	H	α-helix	trans	-65.6	-38.2	169.8	-80.1	-88.8	74	0	0	112.5	L687 F688 V694 A695	L687-M691 VanDerWaalsContact O-CB 3.23Å; L687-M691 WeakPolarHBondContact O-CB 3.35Å; L687-M691 WeakPolarHBondContact O-CG 3.23Å; L687-M691 PolarHBondContact O-N 3.38Å; F688-M691 PolarHBondContact O-N 3.13Å; M691-V694 HydrophobicContact CE-CB 4.09Å; M691-V694 HydrophobicContact CE-CG1 3.96Å; M691-A695 WeakPolarHBondContact O-CB 3.21Å; M691-A695 PolarHBondContact O-N 2.84Å
692	I	80.6	Confident	72.2	Confident	88 Å²	88	102.4 Å²	102.4	45%	0.451	54%	0.539	S	S	.	.	H	α-helix	trans	-64.9	-43.9	171.5	-72.7	168.1	0	0	0	110.4	F688 I689 A695 V696	F688-I692 HydrophobicContact CD1-CD1 3.71Å; F688-I692 HydrophobicContact CE1-CD1 3.62Å; F688-I692 HydrophobicContact CZ-CD1 4.42Å; F688-I692 WeakPolarHBondContact O-CB 3.25Å; F688-I692 WeakPolarHBondContact O-CG1 3.28Å; F688-I692 PolarHBondContact O-N 3.49Å; I689-I692 PolarHBondContact O-N 3.41Å; I692-A695 PolarHBondContact O-N 2.84Å; I692-V696 HydrophobicContact CG2-CG2 4.29Å; I692-V696 WeakPolarHBondContact O-CB 3.18Å; I692-V696 VanDerWaalsContact O-CG2 3.26Å; I692-V696 WeakPolarHBondContact O-CG2 3.14Å; I692-V696 PolarHBondContact O-N 2.93Å
693	F	74.4	Confident	70.7	Confident	150 Å²	150	109 Å²	109	66%	0.658	56%	0.56	S	S	*	*	H	α-helix	trans	-65.4	-39.9	179	-161.6	-91.2	0	0	0	111.9	I689 T690 K697	I689-F693 WeakPolarHBondContact O-CB 3.44Å; I689-F693 PolarHBondContact O-N 2.85Å; T690-F693 PolarHBondContact O-N 2.9Å; F693-K697 VanDerWaalsContact O-CB 3.23Å; F693-K697 WeakPolarHBondContact O-CB 3.27Å; F693-K697 PolarHBondContact O-N 3.17Å
694	V	74.1	Confident	69	Low	71 Å²	71	112.4 Å²	112.4	43%	0.43	57%	0.574	S	S	.	*	H	α-helix	trans	-67.6	-41.3	172.5	168.6	0	0	0	0	111	T690 M691 K697 C698	T690-V694 VanDerWaalsContact O-CB 3.3Å; T690-V694 WeakPolarHBondContact O-CB 3.3Å; T690-V694 VanDerWaalsContact O-CG2 3.24Å; T690-V694 WeakPolarHBondContact O-CG2 3.17Å; T690-V694 PolarHBondContact O-N 3.32Å; M691-V694 HydrophobicContact CE-CB 4.09Å; M691-V694 HydrophobicContact CE-CG1 3.96Å; V694-K697 PolarHBondContact O-N 2.87Å; V694-C698 VanDerWaalsContact O-CB 3.27Å; V694-C698 WeakPolarHBondContact O-CB 3.33Å; V694-C698 PolarHBondContact O-N 2.78Å; V694-C698 PolarHBondContact O-SG 2.85Å
695	A	71.7	Confident	66.9	Low	59 Å²	59	116.4 Å²	116.4	49%	0.488	59%	0.586	S	S	.	*	H	α-helix	trans	-66.9	-39.5	176.1	0	0	0	0	0	112.3	M691 I692 K699	M691-A695 WeakPolarHBondContact O-CB 3.21Å; M691-A695 PolarHBondContact O-N 2.84Å; I692-A695 PolarHBondContact O-N 2.84Å; A695-K699 WeakPolarHBondContact O-CB 3.41Å; A695-K699 PolarHBondContact O-N 3.1Å
696	V	73.2	Confident	64.7	Low	88 Å²	88	126.2 Å²	126.2	53%	0.533	61%	0.613	S	S	.	*	H	α-helix	trans	-65.6	-43.6	173.1	167.9	0	0	0	0	110.4	I692 K699 R700	I692-V696 HydrophobicContact CG2-CG2 4.29Å; I692-V696 WeakPolarHBondContact O-CB 3.18Å; I692-V696 VanDerWaalsContact O-CG2 3.26Å; I692-V696 WeakPolarHBondContact O-CG2 3.14Å; I692-V696 PolarHBondContact O-N 2.93Å; V696-K699 PolarHBondContact O-N 2.98Å; V696-R700 WeakPolarHBondContact O-CB 3.33Å; V696-R700 PolarHBondContact O-N 2.81Å
697	K	64.4	Low	62.7	Low	115 Å²	115	126.8 Å²	126.8	50%	0.5	62%	0.621	S	S	.	*	H	α-helix	trans	-65.6	-49.8	176.5	-172.2	168.5	-180	177.6	0	111.5	F693 V694 K699 R700 D701	F693-K697 VanDerWaalsContact O-CB 3.23Å; F693-K697 WeakPolarHBondContact O-CB 3.27Å; F693-K697 PolarHBondContact O-N 3.17Å; V694-K697 PolarHBondContact O-N 2.87Å; K697-K699 PolarHBondContact O-N 2.99Å; K697-R700 PolarHBondContact O-N 3.32Å; K697-D701 WeakPolarHBondContact CE-OD2 3.33Å; K697-D701 WeakPolarHBondContact CG-OD2 3.26Å; K697-D701 VanDerWaalsContact O-CB 3.28Å; K697-D701 WeakPolarHBondContact O-CB 3.49Å; K697-D701 VanDerWaalsContact O-CG 3.27Å; K697-D701 PolarHBondContact O-N 2.86Å
698	C	60.9	Low	60.7	Low	84 Å²	84	132.3 Å²	132.3	57%	0.568	64%	0.636	S	S	*	*	H	α-helix	trans	-61.3	-26	174.1	-68.6	0	0	0	0	113.4	V694 N702	V694-C698 VanDerWaalsContact O-CB 3.27Å; V694-C698 WeakPolarHBondContact O-CB 3.33Å; V694-C698 PolarHBondContact O-N 2.78Å; V694-C698 PolarHBondContact O-SG 2.85Å; C698-N702 VanDerWaalsContact O-CB 3.31Å; C698-N702 WeakPolarHBondContact O-CB 3.23Å; C698-N702 PolarHBondContact O-N 2.94Å
699	K	63.3	Low	58.3	Low	184 Å²	184	133.5 Å²	133.5	80%	0.8	65%	0.649	S	S	*	*	H	α-helix	trans	-81.9	-25.3	173.3	-170.4	173.5	-178.7	-179	0	113.3	A695 V696 K697	A695-K699 WeakPolarHBondContact O-CB 3.41Å; A695-K699 PolarHBondContact O-N 3.1Å; V696-K699 PolarHBondContact O-N 2.98Å; K697-K699 PolarHBondContact O-N 2.99Å
700	R	55	Low	55.9	Low	198 Å²	198	133.9 Å²	133.9	75%	0.747	66%	0.661	S	S	*	*	H	α-helix	trans	-86.3	-40.8	176.3	-160.4	172.2	83.7	156.1	8.1	112.1	V696 K697 N702	V696-R700 WeakPolarHBondContact O-CB 3.33Å; V696-R700 PolarHBondContact O-N 2.81Å; K697-R700 PolarHBondContact O-N 3.32Å; R700-N702 VanDerWaalsContact C-N 3.27Å; R700-N702 PolarHBondContact O-N 2.86Å
701	D	47.3	Very low	53.6	Low	69 Å²	69	142.4 Å²	142.4	37%	0.369	69%	0.686	S	S	.	*	S	Bend	trans	-79.4	-7.7	-178.8	-60.9	10.2	0	0	0	112	K697 K703	K697-D701 WeakPolarHBondContact CE-OD2 3.33Å; K697-D701 WeakPolarHBondContact CG-OD2 3.26Å; K697-D701 VanDerWaalsContact O-CB 3.28Å; K697-D701 WeakPolarHBondContact O-CB 3.49Å; K697-D701 VanDerWaalsContact O-CG 3.27Å; K697-D701 PolarHBondContact O-N 2.86Å; D701-K703 PolarHBondContact O-N 3.29Å; D701-K703 VanDerWaalsContact O-N 3.14Å
702	N	47.6	Very low	51.2	Low	145 Å²	145	143.5 Å²	143.5	78%	0.775	70%	0.699	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.7	27	168.9	-166	46.5	0	0	0	113.2	C698 R700	C698-N702 VanDerWaalsContact O-CB 3.31Å; C698-N702 WeakPolarHBondContact O-CB 3.23Å; C698-N702 PolarHBondContact O-N 2.94Å; R700-N702 VanDerWaalsContact C-N 3.27Å; R700-N702 PolarHBondContact O-N 2.86Å
703	K	44.7	Very low	48.9	Very low	194 Å²	194	144.2 Å²	144.2	84%	0.843	72%	0.717	S	S	*	*	T	Hydrogen-bonded Turn	trans	-135.3	3.1	171.7	-142.6	-166.7	176.8	-168.4	0	114.5	D701	D701-K703 PolarHBondContact O-N 3.29Å; D701-K703 VanDerWaalsContact O-N 3.14Å
704	E	47.3	Very low	46.8	Very low	167 Å²	167	145.3 Å²	145.3	78%	0.78	73%	0.725	S	S	*	*	S	Bend	trans	-150	162.8	173.7	-119.1	158.3	-142.4	0	0	109.5
705	I	36	Very low	44.7	Very low	140 Å²	140	152.6 Å²	152.6	72%	0.718	75%	0.746	S	S	*	*			trans	69.4	88	-175.4	-47	175.6	0	0	0	114.7
706	R	33.6	Very low	42.7	Very low	255 Å²	255	154 Å²	154	96%	0.962	75%	0.752	S	S	*	*			trans	-115.1	85.8	131.7	-92.4	-169.6	174.6	-179.7	-0.1	108.8
707	T	39.3	Very low	40.7	Very low	115 Å²	115	161.1 Å²	161.1	71%	0.706	77%	0.771	S	S	*	*			trans	-99.8	155.9	161.3	31.4	0	0	0	0	110.8
708	Y	38.5	Very low	39	Very low	220 Å²	220	159.1 Å²	159.1	86%	0.863	78%	0.783	S	S	*	*			trans	-59.8	157	-176.7	-55.8	-93.1	0	0	0	113.2
709	N	33.2	Very low	37.6	Very low	168 Å²	168	162.4 Å²	162.4	90%	0.898	80%	0.795	S	S	*	*			trans	-153	137.9	134.6	-114	-41.2	0	0	0	112.2
710	C	29.8	Very low	36	Very low	123 Å²	123	160.6 Å²	160.6	83%	0.831	79%	0.789	S	S	*	*			trans	-77.8	159.4	164.4	-71.2	0	0	0	0	109.7
711	R	31.3	Very low	34.9	Very low	243 Å²	243	159.5 Å²	159.5	92%	0.917	79%	0.79	S	S	*	*			trans	-118.5	133	163	-108.8	-174.8	176.4	177.5	-0.9	110
712	V	29.8	Very low	34.1	Very low	138 Å²	138	165.8 Å²	165.8	84%	0.836	81%	0.814	S	S	*	*			trans	-66.3	143	161	175.7	0	0	0	0	108.5
713	A	31.4	Very low	33.3	Very low	102 Å²	102	163.9 Å²	163.9	84%	0.843	81%	0.812	S	S	*	*			trans	-139.8	128.5	162.8	0	0	0	0	0	108.3
714	E	29.9	Very low	32.6	Very low	173 Å²	173	159 Å²	159	81%	0.808	80%	0.802	S	S	*	*			trans	-130.2	121	-178.9	178.7	-179.5	-126.3	0	0	108.3
715	Y	30.8	Very low	32.1	Very low	224 Å²	224	160.1 Å²	160.1	88%	0.878	80%	0.804	S	S	*	*			trans	-152.7	110.6	170.7	-102.2	-80.1	0	0	0	112.4
716	S	30.3	Very low	32.1	Very low	88 Å²	88	163.1 Å²	163.1	62%	0.615	81%	0.812	S	S	*	*			trans	67.1	121.1	135.6	-64.9	0	0	0	0	123.5
717	Y	29.9	Very low	32	Very low	239 Å²	239	161 Å²	161	94%	0.937	81%	0.81	S	S	*	*			trans	65.7	139.6	143.3	-80.7	-99.2	0	0	0	120
718	G	29.3	Very low	32.1	Very low	72 Å²	72	165 Å²	165	74%	0.742	82%	0.818	S	S	*	*			trans	-176.1	-45.3	171.7	0	0	0	0	0	121.1
719	N	30.4	Very low	31.7	Very low	153 Å²	153	162.9 Å²	162.9	82%	0.818	82%	0.82	S	S	*	*			trans	65	153.4	171.9	-148.8	-7.2	0	0	0	119.4
720	Q	30.5	Very low	31.7	Very low	147 Å²	147	159.9 Å²	159.9	69%	0.687	81%	0.812	S	S	*	*			trans	73.6	106.9	164.5	-55.2	-150.6	38.3	0	0	123.8
721	K	31.3	Very low	31.9	Very low	174 Å²	174	163 Å²	163	76%	0.757	81%	0.812	S	S	*	*				51.8	117.3	123	-66.8	175.8	179.6	169	0	122.5
722	K	31.8	Very low	32.1	Very low	202 Å²	202	157.5 Å²	157.5	88%	0.878	80%	0.801	S	S	*	*			trans	62	124.3	133.8	-65.5	-171	173.7	-172.3	0	120.4
723	S	30.6	Very low	32	Very low	104 Å²	104	157.8 Å²	157.8	73%	0.727	80%	0.797	S	S	*	*				134.5	125.7	113.7	-165	0	0	0	0	117.2
724	S	30.4	Very low	32.1	Very low	91 Å²	91	158.9 Å²	158.9	64%	0.636	79%	0.788	S	S	*	*			trans	69.1	126.6	138.6	61.3	0	0	0	0	123.9
725	K	35.3	Very low	32.1	Very low	191 Å²	191	160.5 Å²	160.5	83%	0.83	79%	0.787	S	S	*	*			trans	78.6	107.9	136.4	-71.6	170.8	-179	175.6	0	120.7
726	K	37.1	Very low	32.1	Very low	203 Å²	203	156.8 Å²	156.8	88%	0.883	78%	0.781	S	S	*	*				49.1	122.4	126.9	-64.2	-174.4	176.6	-174.9	0	119.5
727	K	31.1	Very low	32.1	Very low	211 Å²	211	159 Å²	159	92%	0.917	79%	0.791	S	S	*	*				-151.2	148.3	117.3	-112.2	170.2	-176.6	179.8	0	111.3
728	K	40.9	Very low	33.5	Very low	199 Å²	199	152.9 Å²	152.9	87%	0.865	78%	0.78	S	S	*	*			trans	-89.8	153	167.6	-72.2	-175.8	173.9	-173.1	0	109.2
729	L	30.6	Very low	33.5	Very low	175 Å²	175	160.1 Å²	160.1	92%	0.916	79%	0.785	S	S	*	*			trans	-160.3	157.8	138.4	-112.1	151.1	0	0	0	109.2
730	S	32.7	Very low	33.6	Very low	105 Å²	105	158.4 Å²	158.4	73%	0.734	78%	0.776	S	S	*	*			trans	-156.6	142.2	-168.6	59.2	0	0	0	0	114.1
731	K	34.3	Very low	33.7	Very low	189 Å²	189	157.1 Å²	157.1	82%	0.822	78%	0.778	S	S	*	*			trans	72.6	143	154.1	-116	-166.9	171.9	-177	0	120
732	N	35.1	Very low	33.7	Very low	128 Å²	128	157.3 Å²	157.3	68%	0.684	78%	0.782	S	S	*	*			trans	71.8	123.2	160.9	-62.8	8.1	0	0	0	119
733	D	28.6	Very low	33.7	Very low	143 Å²	143	156.1 Å²	156.1	77%	0.765	78%	0.779	S	S	*	*				161.2	148.2	127.4	-87.2	2.8	0	0	0	110.8
734	I	33.9	Very low	33.7	Very low	125 Å²	125	157 Å²	157	64%	0.641	78%	0.78	S	S	*	*			cis	-163	151.8	-17	-124.7	172.8	0	0	0	111.1
735	R	29.6	Very low	33.7	Very low	208 Å²	208	158.4 Å²	158.4	79%	0.785	78%	0.78	S	S	*	*			trans	44.9	125.7	152.8	-69.5	-179	166.3	161.3	-4.2	126.1
736	L	30.5	Very low	33.4	Very low	146 Å²	146	157 Å²	157	76%	0.764	77%	0.774	S	S	*	*				58.9	139.4	112.1	-58.7	172.7	0	0	0	125.6
737	V	30.4	Very low	33	Very low	134 Å²	134	155 Å²	155	81%	0.812	77%	0.77	S	S	*	*			trans	93.8	145.1	132.3	151.5	0	0	0	0	120.5
738	P	59.2	Low	33	Very low	111 Å²	111	151.3 Å²	151.3	72%	0.721	76%	0.76	S	S	*	*			trans	-124.6	-172.6	-156.5	44.3	-28.6	0	0	0	115.2
739	R	30.3	Very low	32.5	Very low	223 Å²	223	147.5 Å²	147.5	84%	0.842	75%	0.754	S	S	*	*			trans	165.8	157.9	156.5	-92	-165.8	144	152.6	2.4	108
740	D	32.1	Very low	32.4	Very low	117 Å²	117	145 Å²	145	63%	0.626	75%	0.745	S	S	*	*			cis	-165.2	-172.6	-15.9	-98.2	-11.6	0	0	0	107.3
741	V	31.1	Very low	32.2	Very low	121 Å²	121	145.4 Å²	145.4	73%	0.733	75%	0.748	S	S	*	*			trans	95.3	93	153.4	-168.2	0	0	0	0	120.9
742	E	32.4	Very low	32	Very low	178 Å²	178	142 Å²	142	83%	0.832	75%	0.747	S	S	*	*				64.1	166.2	121.8	-59.9	-178.5	131.4	0	0	125.8
743	E	32.1	Very low	31.8	Very low	177 Å²	177	141.4 Å²	141.4	83%	0.827	75%	0.753	S	S	*	*			trans	61	104.9	174.1	-55	-166.9	143.2	0	0	117.9
744	T	30.1	Very low	31.9	Very low	122 Å²	122	139.4 Å²	139.4	75%	0.748	75%	0.75	S	S	*	*				67.7	114.6	51.2	76.4	0	0	0	0	116.3
745	D	29.4	Very low	31.8	Very low	120 Å²	120	140.9 Å²	140.9	64%	0.642	76%	0.758	S	S	*	*				-159.9	160.8	104.2	-133.4	5.4	0	0	0	118.3
746	K	29.9	Very low	32	Very low	161 Å²	161	137.2 Å²	137.2	70%	0.7	76%	0.759	S	S	*	*			trans	-14.6	145.3	168.4	-64.7	157.5	-164.1	83.1	0	119.1
747	M	29.3	Very low	32.1	Very low	163 Å²	163	135.2 Å²	135.2	80%	0.803	76%	0.758	S	S	*	*			cis	117.1	155.5	19.2	178.9	176.3	-179.5	0	0	111.9
748	N	30.6	Very low	32.2	Very low	132 Å²	132	134.2 Å²	134.2	71%	0.706	76%	0.756	S	S	*	*			trans	82	145.3	171.9	-72.6	-16.8	0	0	0	118.7
749	V	29.6	Very low	30.9	Very low	119 Å²	119	136 Å²	136	72%	0.721	76%	0.759	S	S	*	*			cis	-168.6	150.2	-22.5	110.8	0	0	0	0	110.7
750	V	29.7	Very low	31	Very low	123 Å²	123	132 Å²	132	75%	0.745	75%	0.754	S	S	*	*			trans	32.6	126.4	153.1	-173.1	0	0	0	0	119.5
751	S	27.7	Very low	30.8	Very low	113 Å²	113	136.5 Å²	136.5	79%	0.79	76%	0.764	S	S	*	*				-168	160.5	88.4	-60.2	0	0	0	0	114
752	C	29.9	Very low	30.7	Very low	119 Å²	119	139 Å²	139	80%	0.804	77%	0.766	S	S	*	*			trans	-121.4	177.2	178.8	-65.7	0	0	0	0	112.6
753	S	32.6	Very low	30.8	Very low	114 Å²	114	136.1 Å²	136.1	80%	0.797	76%	0.756	S	S	*	*			trans	67.9	148.1	171.4	60.9	0	0	0	0	116.5
754	S	30.2	Very low	30.6	Very low	102 Å²	102	137 Å²	137	71%	0.713	75%	0.753	S	S	*	*			cis	-136.9	161.9	21.6	-62.6	0	0	0	0	110.9
755	L	32.1	Very low	30.7	Very low	155 Å²	155	137.4 Å²	137.4	81%	0.812	75%	0.746	S	S	*	*				58.9	138.8	52	-73.3	170.5	0	0	0	113.1
756	T	32.7	Very low	30.9	Very low	131 Å²	131	139.8 Å²	139.8	80%	0.804	75%	0.753	S	S	*	*			cis	-122.3	-139.6	10.2	55.4	0	0	0	0	115.3
757	S	32.6	Very low	31.1	Very low	105 Å²	105	139.4 Å²	139.4	73%	0.734	75%	0.754	S	S	*	*			trans	-170.9	144.5	-131.2	53.1	0	0	0	0	117.2
758	S	32	Very low	31.2	Very low	112 Å²	112	137.1 Å²	137.1	78%	0.783	75%	0.754	S	S	*	*			trans	-162.5	153	172.4	53.9	0	0	0	0	111.9
759	L	32.4	Very low	31.2	Very low	148 Å²	148	138.3 Å²	138.3	78%	0.775	76%	0.76	S	S	*	*			cis	-160.6	155.9	-14.8	-117.2	165.1	0	0	0	110.9
760	N	32.1	Very low	32.1	Very low	139 Å²	139	138 Å²	138	74%	0.743	76%	0.76	S	S	*	*			trans	84.3	132.8	157.4	-71.1	-29.5	0	0	0	123.8
761	Y	28.6	Very low	32.1	Very low	212 Å²	212	140.6 Å²	140.6	83%	0.831	77%	0.769	S	S	*	*			trans	88	89.5	148	-104.1	-96.3	0	0	0	122.9
762	F	29.8	Very low	32.2	Very low	175 Å²	175	138.6 Å²	138.6	77%	0.768	77%	0.766	S	S	*	*				-1.4	140.4	126.4	-73.5	-94.1	0	0	0	117.4
763	D	33.4	Very low	32.2	Very low	117 Å²	117	138.6 Å²	138.6	63%	0.626	77%	0.766	S	S	*	*			cis	-165.5	-158.6	-7.6	-139.9	-10.3	0	0	0	108.1
764	Y	28.8	Very low	32.1	Very low	194 Å²	194	145.1 Å²	145.1	76%	0.761	77%	0.773	S	S	*	*			cis	-150.1	167.3	10.4	-154.4	-98.3	0	0	0	109.8
765	H	32.1	Very low	32	Very low	132 Å²	132	150 Å²	150	61%	0.611	78%	0.776	S	S	*	*			trans	-94.7	-161.7	173.8	-84.4	-136.1	0	0	0	111.1	Q767	H765-Q767 PolarHBondContact ND1-OE1 3.44Å
766	Q	33.2	Very low	32	Very low	169 Å²	169	148 Å²	148	79%	0.79	78%	0.775	S	S	*	*			cis	-133.2	157.9	2.1	-75.1	-180	-0	0	0	108.8
767	Q	33	Very low	32.2	Very low	154 Å²	154	148.3 Å²	148.3	72%	0.72	77%	0.767	S	S	*	*			cis	83.1	149.2	34.9	-82.6	-176.7	-37.9	0	0	116.8	H765	H765-Q767 PolarHBondContact ND1-OE1 3.44Å
768	S	32	Very low	32.2	Very low	114 Å²	114	148.1 Å²	148.1	80%	0.797	77%	0.766	S	S	*	*			trans	-89.2	164.1	-174.3	55.8	0	0	0	0	114
769	L	31.7	Very low	32.3	Very low	158 Å²	158	148 Å²	148	83%	0.827	76%	0.76	S	S	*	*			trans	-50.5	167.9	159.4	-66.7	169.7	0	0	0	113.3
770	P	47	Very low	32	Very low	112 Å²	112	149.8 Å²	149.8	73%	0.727	76%	0.762	S	S	*	*			cis	-135.9	157.8	-23.8	31.7	-13.4	0	0	0	115.1
771	L	30.7	Very low	32.1	Very low	177 Å²	177	149.9 Å²	149.9	93%	0.927	76%	0.762	S	S	*	*			trans	-141	121.2	154.5	-74.9	175.2	0	0	0	107.3
772	G	30.3	Very low	32	Very low	71 Å²	71	147.7 Å²	147.7	73%	0.732	77%	0.765	S	S	*	*				130.1	178.4	81.5	0	0	0	0	0	108.2
773	C	29.4	Very low	32.1	Very low	119 Å²	119	145.1 Å²	145.1	80%	0.804	76%	0.763	S	S	*	*			cis	-169	138.4	-7.3	-102	0	0	0	0	108.7
774	R	30.4	Very low	32	Very low	252 Å²	252	148 Å²	148	95%	0.951	77%	0.773	S	S	*	*				-173.2	157.5	121.8	-113	179.5	167.2	159.3	-2.1	114.2
775	R	28.6	Very low	32	Very low	203 Å²	203	144.5 Å²	144.5	77%	0.766	77%	0.767	S	S	*	*			trans	-132.9	155.5	-177.8	-97	-170.4	174.9	172.4	0.8	111.4	E777	R775-E777 WeakPolarHBondContact CD-OE1 3.5Å; R775-E777 IonicContact CZ-OE1 2.67Å; R775-E777 IonicContact NE-OE1 3.76Å; R775-E777 IonicContact NH1-OE1 3.64Å; R775-E777 PolarHBondContact NH1-OE1 3.43Å
776	S	32.3	Very low	32	Very low	113 Å²	113	145.2 Å²	145.2	79%	0.79	77%	0.771	S	S	*	*			trans	-153.8	126.1	136.8	51.8	0	0	0	0	105.1
777	E	35.3	Very low	31.8	Very low	138 Å²	138	143.6 Å²	143.6	65%	0.645	77%	0.768	S	S	*	*			cis	59.8	140.7	40.2	-54	-170.6	-168.4	0	0	111.7	R775	R775-E777 WeakPolarHBondContact CD-OE1 3.5Å; R775-E777 IonicContact CZ-OE1 2.67Å; R775-E777 IonicContact NE-OE1 3.76Å; R775-E777 IonicContact NH1-OE1 3.64Å; R775-E777 PolarHBondContact NH1-OE1 3.43Å
778	S	34.1	Very low	31.6	Very low	101 Å²	101	141.8 Å²	141.8	71%	0.706	77%	0.772	S	S	*	*			cis	-159.6	164.5	9.3	80.1	0	0	0	0	110
779	T	32.5	Very low	31.6	Very low	109 Å²	109	147 Å²	147	67%	0.669	77%	0.774	S	S	*	*			cis	-174.1	169.4	-23.6	27.8	0	0	0	0	109.7
780	F	27.8	Very low	31.4	Very low	186 Å²	186	146.3 Å²	146.3	82%	0.816	77%	0.771	S	S	*	*			trans	93	143	146.4	-82.2	-63.8	0	0	0	124.7
781	L	33.8	Very low	30.5	Very low	141 Å²	141	145.8 Å²	145.8	74%	0.738	78%	0.777	S	S	*	*			trans	-47	160.2	164.9	-65.9	153.7	0	0	0	115.9
782	N	26.6	Very low	30.5	Very low	166 Å²	166	141.8 Å²	141.8	89%	0.888	77%	0.769	S	S	*	*				-156.2	167.9	116.6	-128.6	-13.2	0	0	0	114.3
783	V	32	Very low	32	Very low	122 Å²	122	143.2 Å²	143.2	74%	0.739	77%	0.765	S	S	*	*			trans	-133.3	132.8	-179.5	170	0	0	0	0	110.1
784	E	30.1	Very low	32.1	Very low	176 Å²	176	143.6 Å²	143.6	82%	0.822	76%	0.759	S	S	*	*			trans	-169.6	158.1	157.7	-87.1	-148.6	112.7	0	0	109.3
785	N	30	Very low	32.2	Very low	121 Å²	121	139.1 Å²	139.1	65%	0.647	75%	0.749	S	S	*	*			cis	-169.2	166	-28.8	-162.1	-12	0	0	0	109.3
786	Q	31	Very low	32.2	Very low	147 Å²	147	132.3 Å²	132.3	69%	0.687	74%	0.742	S	S	*	*			trans	75.1	127.7	158.7	-54.4	-158.8	25.7	0	0	123.6
787	N	29.3	Very low	32.1	Very low	135 Å²	135	136.4 Å²	136.4	72%	0.722	74%	0.741	S	S	*	*			trans	45.2	121.6	132	-56.6	-42.5	0	0	0	120
788	S	29.9	Very low	31.7	Very low	116 Å²	116	136.2 Å²	136.2	81%	0.811	74%	0.74	S	S	*	*				177	153.2	65.7	45.8	0	0	0	0	115.9
789	R	30.5	Very low	31.5	Very low	224 Å²	224	138.7 Å²	138.7	85%	0.845	74%	0.74	S	S	*	*			trans	10.4	136	152.7	-83.1	-179.5	176.2	159.8	-0.8	123.7
790	N	28.8	Very low	31.4	Very low	143 Å²	143	137.3 Å²	137.3	77%	0.765	74%	0.735	S	S	*	*				103.7	137.9	129.9	-72.6	-1.4	0	0	0	122.2
791	A	28.1	Very low	31.6	Very low	102 Å²	102	137.8 Å²	137.8	84%	0.843	74%	0.737	S	S	*	*			trans	77.3	127.9	146.6	0	0	0	0	0	121.9
792	A	30.3	Very low	31.5	Very low	92 Å²	92	137.3 Å²	137.3	76%	0.76	74%	0.74	S	S	*	*			trans	-110.3	-163.8	152.5	0	0	0	0	0	107.1
793	P	60.4	Low	31.6	Very low	101 Å²	101	132.3 Å²	132.3	66%	0.656	73%	0.728	S	S	*	*			cis	-138.2	-159.8	-5.7	42.1	-22	0	0	0	113.9
794	N	32.1	Very low	31.6	Very low	127 Å²	127	136.6 Å²	136.6	68%	0.679	74%	0.74	S	S	*	*			trans	68.7	161.1	157.7	-67.6	3.3	0	0	0	117.6
795	H	33.6	Very low	31.5	Very low	159 Å²	159	131.6 Å²	131.6	74%	0.736	74%	0.736	S	S	*	*			cis	-141.8	169.7	-10.6	-93.6	-54.4	0	0	0	106.3
796	G	27.3	Very low	31.6	Very low	59 Å²	59	135 Å²	135	61%	0.608	75%	0.748	S	S	*	*			cis	142	148.7	-0.4	0	0	0	0	0	112
797	Y	29.9	Very low	31.6	Very low	200 Å²	200	137.4 Å²	137.4	78%	0.784	76%	0.759	S	S	*	*			trans	67.9	155.5	161.1	-65.1	-57.4	0	0	0	119.4
798	Q	28.4	Very low	31.6	Very low	134 Å²	134	139.9 Å²	139.9	63%	0.626	77%	0.766	S	S	*	*			cis	-174.4	170.4	-24.9	-156.3	172.2	1.5	0	0	110.3
799	H	29.8	Very low	32.1	Very low	152 Å²	152	139.2 Å²	139.2	70%	0.704	76%	0.759	S	S	*	*			trans	68.9	155.5	157.3	-72.7	-67.1	0	0	0	120.2
800	S	30	Very low	32	Very low	80 Å²	80	135.8 Å²	135.8	56%	0.559	76%	0.758	S	S	*	*			cis	-178.3	141.6	-30.8	52.3	0	0	0	0	113.8
801	F	30.9	Very low	32.1	Very low	196 Å²	196	137.4 Å²	137.4	86%	0.86	77%	0.765	S	S	*	*			trans	65.5	152.8	157.7	-76.3	-134.2	0	0	0	116.3
802	T	31.9	Very low	32.2	Very low	131 Å²	131	139.8 Å²	139.8	80%	0.804	76%	0.762	S	S	*	*			cis	-165.2	170.9	-11.1	19.2	0	0	0	0	107.2
803	G	29.8	Very low	32.2	Very low	62 Å²	62	142.8 Å²	142.8	64%	0.639	76%	0.764	S	S	*	*			cis	155	154	0.3	0	0	0	0	0	111.6
804	Q	30.3	Very low	31	Very low	212 Å²	212	145 Å²	145	99%	0.991	77%	0.77	S	S	*	*			trans	68.2	138.6	-171.1	-57	-178	-23.3	0	0	115.6
805	G	28.7	Very low	30.9	Very low	71 Å²	71	143 Å²	143	73%	0.732	78%	0.78	S	S	*	*			cis	170.3	163.1	-12.3	0	0	0	0	0	114.7
806	H	31.6	Very low	30.9	Very low	193 Å²	193	142.5 Å²	142.5	89%	0.894	78%	0.779	S	S	*	*			trans	82.3	149.5	168.7	-81.3	31.7	0	0	0	121.4
807	Q	31.8	Very low	31.4	Very low	197 Å²	197	145.6 Å²	145.6	92%	0.921	79%	0.789	S	S	*	*			trans	76.1	141.8	171.7	-70.9	177.2	-26.5	0	0	120.2
808	Q	29.4	Very low	31.5	Very low	186 Å²	186	142.6 Å²	142.6	87%	0.869	79%	0.786	S	S	*	*			trans	-98.8	173.4	174.7	-86.2	179.3	-65.9	0	0	109.5
809	P	41.2	Very low	32.2	Very low	102 Å²	102	142 Å²	142	66%	0.662	79%	0.793	S	S	*	*			cis	-128.4	-151	9.9	38.2	-17.7	0	0	0	113.9
810	D	26.6	Very low	32.4	Very low	153 Å²	153	143.4 Å²	143.4	82%	0.818	80%	0.8	S	S	*	*			trans	80	117.1	163.6	-56.9	-16.5	0	0	0	119.8
811	L	32.2	Very low	32.7	Very low	176 Å²	176	144.9 Å²	144.9	92%	0.921	81%	0.806	S	S	*	*			trans	-118.9	119.5	179.2	-89	161.2	0	0	0	109.4
812	I	30.4	Very low	32.9	Very low	153 Å²	153	142.8 Å²	142.8	79%	0.785	80%	0.799	S	S	*	*			trans	-138.7	124.6	161.9	-55	-179.9	0	0	0	108.1
813	I	29.9	Very low	32.9	Very low	155 Å²	155	144.5 Å²	144.5	80%	0.795	80%	0.803	S	S	*	*			trans	172.2	109.9	136.1	-88.9	159.2	0	0	0	110.5
814	N	35.1	Very low	33	Very low	148 Å²	148	150.6 Å²	150.6	79%	0.791	81%	0.808	S	S	*	*			trans	27.8	144	140.4	-51.7	-5.5	0	0	0	123
815	G	29.9	Very low	32.9	Very low	85 Å²	85	145.6 Å²	145.6	88%	0.876	80%	0.796	S	S	*	*			trans	-150.8	86	160	0	0	0	0	0	112.4
816	M	32.7	Very low	33.1	Very low	147 Å²	147	148.9 Å²	148.9	72%	0.724	80%	0.796	S	S	*	*			trans	-102	155.7	174.8	-85.2	-79.8	-76	0	0	109.7	L818	M816-L818 HydrophobicContact CE-CD1 3.97Å; M816-L818 HydrophobicContact CE-CG 3.95Å
817	P	38.8	Very low	32.9	Very low	125 Å²	125	146.7 Å²	146.7	81%	0.812	79%	0.791	S	S	*	*				-147.9	160.8	85.4	38	-19.7	0	0	0	117.3
818	L	32.6	Very low	32.9	Very low	137 Å²	137	141.9 Å²	141.9	72%	0.717	78%	0.779	S	S	*	*			trans	-100.6	163.7	158.9	-72.4	166.8	0	0	0	109.7	M816	M816-L818 HydrophobicContact CE-CD1 3.97Å; M816-L818 HydrophobicContact CE-CG 3.95Å
819	P	42.1	Very low	33.1	Very low	120 Å²	120	137.3 Å²	137.3	78%	0.779	77%	0.768	S	S	*	*			trans	-83.4	157.4	162.9	34.4	-32.8	0	0	0	112.8
820	E	34.8	Very low	32.5	Very low	182 Å²	182	143.1 Å²	143.1	85%	0.85	78%	0.778	S	S	*	*			trans	-91.6	179.2	-174.7	-62.1	162.8	139.7	0	0	110.6
821	T	35.7	Very low	32.8	Very low	112 Å²	112	141.1 Å²	141.1	69%	0.687	77%	0.771	S	S	*	*			cis	-157	137.3	39.7	49.9	0	0	0	0	115.6
822	E	35.8	Very low	33	Very low	152 Å²	152	139.7 Å²	139.7	71%	0.71	76%	0.764	S	S	*	*				63.1	129.1	124.6	-59.2	-176.4	148.6	0	0	124.9
823	N	30.6	Very low	33.1	Very low	167 Å²	167	136.7 Å²	136.7	89%	0.893	76%	0.757	S	S	*	*				-160.6	167.2	116.9	-115.4	-66.8	0	0	0	113.8
824	Y	32.5	Very low	33.3	Very low	190 Å²	190	140.2 Å²	140.2	75%	0.745	76%	0.76	S	S	*	*			trans	-115	143.6	-162.7	-92.7	-98.9	0	0	0	116.6
825	S	27.9	Very low	33.3	Very low	106 Å²	106	137.2 Å²	137.2	74%	0.741	76%	0.756	S	S	*	*			trans	-176.4	119.2	132.6	56.1	0	0	0	0	109.3
826	I	33.3	Very low	33.4	Very low	141 Å²	141	140.5 Å²	140.5	72%	0.723	75%	0.748	S	S	*	*				58.3	121.1	77.5	-58.8	173.3	0	0	0	110.3
827	D	28.6	Very low	33.4	Very low	146 Å²	146	140.4 Å²	140.4	78%	0.781	75%	0.75	S	S	*	*			cis	-144.8	-179.4	39.5	-143.8	-31.9	0	0	0	115.7
828	S	31.4	Very low	33	Very low	97 Å²	97	141 Å²	141	68%	0.678	75%	0.745	S	S	*	*			trans	-92.4	173.3	170.9	70.7	0	0	0	0	111
829	S	32.3	Very low	32.8	Very low	90 Å²	90	143.1 Å²	143.1	63%	0.629	75%	0.748	S	S	*	*			cis	-169.6	157	21.3	49	0	0	0	0	110
830	Y	29.4	Very low	32.3	Very low	224 Å²	224	142 Å²	142	88%	0.878	74%	0.743	S	S	*	*				-171.6	160.6	119.1	-123.1	-99.8	0	0	0	111.8
831	V	32.8	Very low	32.1	Very low	111 Å²	111	140.4 Å²	140.4	67%	0.673	75%	0.746	S	S	*	*			trans	-147.7	153.6	-159.5	165.6	0	0	0	0	111.8
832	N	35.5	Very low	32	Very low	146 Å²	146	139.8 Å²	139.8	78%	0.781	75%	0.746	S	S	*	*			trans	74	151.2	166.2	-78.7	-22.8	0	0	0	118.4
833	S	34	Very low	31.9	Very low	89 Å²	89	138.2 Å²	138.2	62%	0.622	75%	0.747	S	S	*	*			cis	-170.3	161.2	-17.8	53.2	0	0	0	0	113
834	R	33.6	Very low	32	Very low	229 Å²	229	138.8 Å²	138.8	86%	0.864	74%	0.742	S	S	*	*			trans	32.4	142.9	138.5	-67.8	174.9	158.5	152.8	-5.3	119.6
835	A	34.3	Very low	32	Very low	85 Å²	85	138 Å²	138	70%	0.702	74%	0.743	S	S	*	*			cis	-161.5	168.5	35.9	0	0	0	0	0	115.8
836	H	33.5	Very low	32.3	Very low	154 Å²	154	139.5 Å²	139.5	71%	0.713	74%	0.742	S	S	*	*			trans	-37.3	171.4	158.4	-34.1	-97.6	0	0	0	116.8
837	L	31.7	Very low	32.5	Very low	145 Å²	145	139.5 Å²	139.5	76%	0.759	74%	0.743	S	S	*	*			cis	-152.8	154.5	21.1	-63.9	84.9	0	0	0	114.4
838	I	30.6	Very low	32.8	Very low	138 Å²	138	141.3 Å²	141.3	71%	0.708	75%	0.746	S	S	*	*			trans	78.2	132.6	131.8	-81.4	176.3	0	0	0	124.6
839	K	28.7	Very low	32.9	Very low	181 Å²	181	139.8 Å²	139.8	79%	0.787	75%	0.746	S	S	*	*			trans	73	98.5	152.6	-83.6	167.3	-172.9	-179.7	0	123.2
840	S	31.3	Very low	32.9	Very low	98 Å²	98	143.6 Å²	143.6	69%	0.685	76%	0.759	S	S	*	*				24.8	129.8	114.9	64.6	0	0	0	0	121.8
841	T	30.8	Very low	33	Very low	148 Å²	148	137 Å²	137	91%	0.908	75%	0.747	S	S	*	*				-166.7	179.2	113.3	16.6	0	0	0	0	110.1
842	S	32.5	Very low	33.1	Very low	98 Å²	98	138.4 Å²	138.4	69%	0.685	75%	0.749	S	S	*	*			trans	-129.4	171.9	-159.8	51.3	0	0	0	0	115.4
843	T	34.5	Very low	33	Very low	119 Å²	119	140 Å²	140	73%	0.73	75%	0.749	S	S	*	*			trans	85.9	157.6	160.3	71.6	0	0	0	0	120.3
844	F	32.6	Very low	32.9	Very low	179 Å²	179	141.4 Å²	141.4	79%	0.785	75%	0.75	S	S	*	*			trans	73	140.2	174.7	-78.5	-102.1	0	0	0	116.5
845	K	33.1	Very low	32.9	Very low	175 Å²	175	135.8 Å²	135.8	76%	0.761	75%	0.745	S	S	*	*			cis	-161.1	158.7	-2.6	-155.3	-175.1	-166.8	174.7	0	112.1
846	D	34.3	Very low	32.9	Very low	136 Å²	136	135.1 Å²	135.1	73%	0.727	75%	0.747	S	S	*	*			trans	-80	154.4	164.3	-36	-89.1	0	0	0	113.2
847	L	37.4	Very low	32.8	Very low	141 Å²	141	136.5 Å²	136.5	74%	0.738	75%	0.754	S	S	*	*				165.5	148.4	107.6	-134.7	74.6	0	0	0	112.4
848	E	35.3	Very low	33	Very low	184 Å²	184	138 Å²	138	86%	0.86	76%	0.757	S	S	*	*			trans	56.2	143.8	159	-70.2	166.7	179.4	0	0	119.8
849	G	33.1	Very low	33.2	Very low	65 Å²	65	139.4 Å²	139.4	67%	0.67	76%	0.76	S	S	*	*			cis	166.3	167.6	-4.1	0	0	0	0	0	111.4
850	N	32.2	Very low	33.5	Very low	170 Å²	170	134.9 Å²	134.9	91%	0.909	75%	0.751	S	S	*	*			trans	65.7	158.7	175.4	-71.1	-32.6	0	0	0	117.4
851	S	30.7	Very low	33.7	Very low	87 Å²	87	136 Å²	136	61%	0.608	75%	0.75	S	S	*	*			cis	-172	149.4	-24.3	-179.6	0	0	0	0	110.4
852	L	35.1	Very low	33.9	Very low	140 Å²	140	136.7 Å²	136.7	73%	0.733	74%	0.743	S	S	*	*			trans	55.1	127.5	157.8	-74	163.1	0	0	0	121.1
853	K	34.2	Very low	34.2	Very low	179 Å²	179	137 Å²	137	78%	0.778	74%	0.74	S	S	*	*			trans	70.8	162.9	136.4	-75.7	-162.5	172.1	-145.5	0	119.1
854	D	31.1	Very low	34.2	Very low	119 Å²	119	138.3 Å²	138.3	64%	0.636	74%	0.743	S	S	*	*			cis	-176.1	158.1	-20.8	-175.5	2.5	0	0	0	107.4
855	S	34.2	Very low	34.3	Very low	110 Å²	110	134 Å²	134	77%	0.769	74%	0.735	S	S	*	*			trans	62.9	157.6	163.2	71.3	0	0	0	0	121.3
856	G	33.1	Very low	34.6	Very low	72 Å²	72	133.5 Å²	133.5	74%	0.742	74%	0.735	S	S	*	*			trans	82.1	114.5	171.9	0	0	0	0	0	114.6
857	H	33.3	Very low	34.6	Very low	183 Å²	183	134.1 Å²	134.1	85%	0.847	73%	0.733	S	S	*	*			cis	71.1	85.6	8.4	-137.7	89.3	0	0	0	116.3
858	E	34.8	Very low	34.3	Very low	176 Å²	176	133.2 Å²	133.2	82%	0.822	73%	0.73	S	S	*	*			trans	-175.5	136.7	137.3	-95.2	164.6	-167.1	0	0	104.3
859	E	34.6	Very low	34.2	Very low	168 Å²	168	129.6 Å²	129.6	79%	0.785	72%	0.72	S	S	*	*				55.9	135.5	73.6	-71.9	-158.7	-145.5	0	0	113.1
860	S	35.9	Very low	34.2	Very low	85 Å²	85	133.7 Å²	133.7	59%	0.594	72%	0.721	S	S	*	*			cis	-155.4	-158.4	8.4	-126.5	0	0	0	0	111
861	D	35.3	Very low	34	Very low	122 Å²	122	135.8 Å²	135.8	65%	0.652	72%	0.716	S	S	*	*			trans	80.5	114	164.7	-62.2	-18.8	0	0	0	116.4
862	Q	35.1	Very low	34	Very low	163 Å²	163	135.3 Å²	135.3	76%	0.762	73%	0.726	S	S	*	*				75.3	137.5	72.4	-71.1	176.2	62.2	0	0	111.6
863	T	37.8	Very low	33.7	Very low	104 Å²	104	136.8 Å²	136.8	64%	0.638	73%	0.729	S	S	*	*			cis	-150.4	166.3	21.1	-11.6	0	0	0	0	112.2
864	D	34.2	Very low	33.7	Very low	146 Å²	146	139.5 Å²	139.5	78%	0.781	74%	0.736	S	S	*	*				21.9	145.2	126.3	-63.6	-8.8	0	0	0	120.2
865	S	35.8	Very low	33.7	Very low	88 Å²	88	139.9 Å²	139.9	62%	0.615	74%	0.742	S	S	*	*			cis	-173.5	165.1	3.3	44.5	0	0	0	0	111.5
866	E	38.5	Very low	33.4	Very low	166 Å²	166	141.5 Å²	141.5	78%	0.776	74%	0.742	S	S	*	*			trans	60.6	147.5	141.1	-75.5	173.8	-168	0	0	120.7
867	H	35.3	Very low	33.4	Very low	148 Å²	148	145 Å²	145	69%	0.685	75%	0.749	S	S	*	*			cis	-158	167.1	-13.7	-138.3	44.1	0	0	0	110.5
868	D	31.8	Very low	33.4	Very low	123 Å²	123	140.3 Å²	140.3	66%	0.658	74%	0.742	S	S	*	*			trans	64.3	125	145.9	-86.1	-9.3	0	0	0	124.7
869	V	31.9	Very low	33.3	Very low	107 Å²	107	137.6 Å²	137.6	65%	0.648	74%	0.737	S	S	*	*				72.2	122.3	126	174.3	0	0	0	0	117.2
870	Q	32.4	Very low	33.2	Very low	151 Å²	151	136 Å²	136	71%	0.706	73%	0.734	S	S	*	*			cis	-165.1	158.3	34.9	-147.8	162.4	78.8	0	0	113.8
871	R	28.8	Very low	33	Very low	214 Å²	214	137.7 Å²	137.7	81%	0.808	74%	0.736	S	S	*	*			trans	36.5	120.1	150.2	-82	173.4	170.4	160.3	-4.4	120.8
872	G	30.7	Very low	32.7	Very low	78 Å²	78	139.4 Å²	139.4	80%	0.804	74%	0.742	S	S	*	*			trans	-148.6	91.7	151	0	0	0	0	0	111.7
873	H	29.7	Very low	32.5	Very low	171 Å²	171	139.1 Å²	139.1	79%	0.792	75%	0.745	S	S	*	*			trans	-78.8	135.5	166.1	-76.9	-88.5	0	0	0	109.3
874	Y	32.7	Very low	32.1	Very low	236 Å²	236	142 Å²	142	93%	0.925	76%	0.757	S	S	*	*			trans	-113.6	157.6	156	-111.4	-94	0	0	0	109.4
875	V	31.3	Very low	32	Very low	127 Å²	127	142 Å²	142	77%	0.77	75%	0.754	S	S	*	*			trans	-115.2	147.6	-163.3	176.4	0	0	0	0	111
876	D	29.3	Very low	31.7	Very low	143 Å²	143	144.5 Å²	144.5	77%	0.765	77%	0.765	S	S	*	*			trans	-59.7	161.1	175.4	-50.1	-82	0	0	0	114
877	T	32.8	Very low	31.3	Very low	145 Å²	145	142.7 Å²	142.7	89%	0.89	77%	0.765	S	S	*	*				174.6	147.5	129.3	25.9	0	0	0	0	109.6
878	A	33.5	Very low	32.1	Very low	85 Å²	85	140.4 Å²	140.4	70%	0.702	76%	0.764	S	S	*	*			cis	-145	-150.8	-13.5	0	0	0	0	0	108
879	V	31.2	Very low	32.9	Very low	119 Å²	119	140.3 Å²	140.3	72%	0.721	77%	0.77	S	S	*	*			cis	-165.1	136.7	41.4	172.5	0	0	0	0	109.2
880	N	32.3	Very low	32.8	Very low	134 Å²	134	142 Å²	142	72%	0.717	78%	0.776	S	S	*	*			trans	66.7	159.9	157.3	-73.3	24.5	0	0	0	120.7
881	D	32	Very low	32.5	Very low	121 Å²	121	141.5 Å²	141.5	65%	0.647	78%	0.782	S	S	*	*			cis	-149.1	171	2.3	-132.9	-37.4	0	0	0	116
882	M	30.5	Very low	32.5	Very low	159 Å²	159	136.6 Å²	136.6	78%	0.783	78%	0.78	S	S	*	*			trans	58.6	109.8	152.6	-68	-93	78.8	0	0	120.4
883	L	30.5	Very low	32.4	Very low	157 Å²	157	142.2 Å²	142.2	82%	0.822	79%	0.785	S	S	*	*			trans	-116.8	137.6	151.9	-89.7	170.7	0	0	0	110.1
884	N	29.7	Very low	32.7	Very low	164 Å²	164	141.4 Å²	141.4	88%	0.877	79%	0.786	S	S	*	*			trans	-153.9	146.5	136	-145.6	-14.9	0	0	0	111.6
885	M	32.1	Very low	33.6	Very low	147 Å²	147	135.2 Å²	135.2	72%	0.724	77%	0.774	S	S	*	*			trans	-159.1	133.2	-164.7	174.8	-175.6	68.6	0	0	111.5
886	T	29	Very low	33.5	Very low	139 Å²	139	135.4 Å²	135.4	85%	0.853	77%	0.771	S	S	*	*			trans	-150	131.5	167.3	33.8	0	0	0	0	113
887	V	29.9	Very low	33.6	Very low	128 Å²	128	137.2 Å²	137.2	78%	0.776	78%	0.775	S	S	*	*			trans	-159.7	166.3	-178.4	-155.3	0	0	0	0	107.6
888	P	51.9	Low	33.6	Very low	101 Å²	101	137.4 Å²	137.4	66%	0.656	77%	0.77	S	S	*	*				-105.1	-151.8	-70.3	38.4	-22.6	0	0	0	111.5
889	P	48.3	Very low	34.2	Very low	120 Å²	120	139.2 Å²	139.2	78%	0.779	78%	0.775	S	S	*	*				-144	138	111.3	36.3	-21.9	0	0	0	117.5
890	N	29.6	Very low	34.1	Very low	144 Å²	144	136.4 Å²	136.4	77%	0.77	77%	0.77	S	S	*	*			trans	11.5	135.1	149.8	-49.5	-17.6	0	0	0	122.1
891	V	27.8	Very low	34	Very low	140 Å²	140	139.4 Å²	139.4	85%	0.848	78%	0.78	S	S	*	*				179.5	143.5	95.9	157.1	0	0	0	0	112.4
892	C	28.8	Very low	33.8	Very low	111 Å²	111	136.8 Å²	136.8	75%	0.75	78%	0.781	S	S	*	*			trans	-40.3	149.1	-176.2	-44.5	0	0	0	0	120.9
893	Q	28.6	Very low	33.7	Very low	195 Å²	195	139.3 Å²	139.3	91%	0.911	79%	0.788	S	S	*	*				-170	143.8	94.9	-96.5	-179.1	4.4	0	0	115.6
894	L	34.3	Very low	33.8	Very low	155 Å²	155	140.5 Å²	140.5	81%	0.812	79%	0.789	S	S	*	*			trans	-51.4	177.7	-178.5	-77.3	161.5	0	0	0	118.3
895	P	52.1	Low	33.8	Very low	105 Å²	105	138.9 Å²	138.9	68%	0.682	79%	0.789	S	S	*	*			cis	-139	169.2	17.9	42.5	-24.2	0	0	0	119.8
896	D	29.4	Very low	33.8	Very low	132 Å²	132	140 Å²	140	71%	0.706	79%	0.792	S	S	*	*			trans	46.8	142.2	149.1	-53.3	-3.8	0	0	0	120.6
897	Q	31.6	Very low	33.9	Very low	180 Å²	180	141 Å²	141	84%	0.841	79%	0.793	S	S	*	*			cis	-162.8	142	36.5	-154.2	158	77.2	0	0	112.9
898	D	32.4	Very low	33.8	Very low	150 Å²	150	143.3 Å²	143.3	80%	0.802	80%	0.795	S	S	*	*			trans	-83.5	179.3	166.9	-111.2	-37.5	0	0	0	110.9
899	P	45.6	Very low	32.6	Very low	122 Å²	122	143.9 Å²	143.9	79%	0.792	80%	0.8	S	S	*	*			cis	-144.7	-170.1	20.3	45	-25.6	0	0	0	117.2
900	G	28.6	Very low	31.6	Very low	60 Å²	60	149.5 Å²	149.5	62%	0.619	81%	0.806	S	S	*	*			trans	121.5	102.5	151.6	0	0	0	0	0	114.7
901	E	30.3	Very low	31.7	Very low	198 Å²	198	149.1 Å²	149.1	93%	0.925	80%	0.802	S	S	*	*				59.3	129	80.6	-63.9	-171.1	150.6	0	0	114.7
902	G	27.7	Very low	31.7	Very low	65 Å²	65	150.2 Å²	150.2	67%	0.67	80%	0.803	S	S	*	*			cis	163.2	175.1	-4.8	0	0	0	0	0	113.5
903	F	29.1	Very low	31.7	Very low	212 Å²	212	148.7 Å²	148.7	93%	0.93	81%	0.805	S	S	*	*			trans	75.3	139.5	165.3	-74.5	-86.9	0	0	0	122.3
904	H	33.8	Very low	31.6	Very low	182 Å²	182	148.8 Å²	148.8	84%	0.843	81%	0.805	S	S	*	*			trans	-73	167.3	165.3	-62.2	-58.9	0	0	0	112.4
905	C	28.6	Very low	31.3	Very low	130 Å²	130	146.9 Å²	146.9	88%	0.878	81%	0.805	S	S	*	*				-143.5	162.1	123	-139.3	0	0	0	0	111
906	Q	31.5	Very low	30.3	Very low	170 Å²	170	147.4 Å²	147.4	79%	0.794	80%	0.802	S	S	*	*			trans	-93.3	167.8	178.8	-61.7	161.6	-89.6	0	0	110.6
907	D	30.9	Very low	30.4	Very low	161 Å²	161	151.6 Å²	151.6	86%	0.861	81%	0.808	S	S	*	*				-177.8	151.6	113.3	-92.3	-15	0	0	0	112.5
908	E	29.3	Very low	30.2	Very low	177 Å²	177	148.8 Å²	148.8	83%	0.827	81%	0.807	S	S	*	*			trans	-114	171.2	176.1	-69.3	-168	138.1	0	0	112.3
909	C	26.4	Very low	30	Very low	112 Å²	112	153.6 Å²	153.6	76%	0.757	81%	0.814	S	S	*	*			trans	64.7	110.9	150.8	-75	0	0	0	0	120.2
910	R	28.1	Very low	29	Very low	238 Å²	238	155.8 Å²	155.8	90%	0.898	82%	0.815	S	S	*	*			trans	176.3	147.1	133.1	-100.1	179.9	171.6	174.1	-0.8	109.7
911	I	29.7	Very low	29.9	Very low	136 Å²	136	157.6 Å²	157.6	70%	0.697	82%	0.816	S	S	*	*			cis	-159.4	160	-19.9	-128	176.7	0	0	0	107.9
912	L	28.5	Very low	29.8	Very low	164 Å²	164	158.8 Å²	158.8	86%	0.859	81%	0.812	S	S	*	*			trans	-16.1	152	164.7	-54.4	162.1	0	0	0	120.1
913	G	28.1	Very low	29.9	Very low	78 Å²	78	162.1 Å²	162.1	80%	0.804	82%	0.82	S	S	*	*			trans	151.2	116.3	137.6	0	0	0	0	0	118.1
914	H	27.1	Very low	29.8	Very low	198 Å²	198	156.2 Å²	156.2	92%	0.917	80%	0.804	S	S	*	*			trans	-81.7	138.5	157	-80.5	-100.5	0	0	0	110.5
915	S	29.2	Very low	29.7	Very low	114 Å²	114	153.9 Å²	153.9	80%	0.797	80%	0.802	S	S	*	*			trans	-175.7	143.8	131.8	39.1	0	0	0	0	113.9
916	D	31.4	Very low	30.7	Very low	117 Å²	117	152.9 Å²	152.9	63%	0.626	79%	0.794	S	S	*	*			trans	47.1	118.6	145.3	-76.3	44	0	0	0	124.3
917	R	30.6	Very low	30.7	Very low	220 Å²	220	148.9 Å²	148.9	83%	0.83	79%	0.791	S	S	*	*			trans	78.7	106.2	131.7	-63.1	172.7	-164.5	-114.1	-4.2	120.6
918	C	26.8	Very low	30.8	Very low	121 Å²	121	153.1 Å²	153.1	82%	0.818	80%	0.795	S	S	*	*			trans	7.4	115.9	140.7	-51.4	0	0	0	0	119.6
919	W	27.9	Very low	30.8	Very low	250 Å²	250	149 Å²	149	95%	0.947	79%	0.791	S	S	*	*				-169.9	153.6	118.2	-111.1	37.1	0	0	0	112.8
920	M	25	Very low	30.9	Very low	168 Å²	168	153.5 Å²	153.5	83%	0.828	80%	0.797	S	S	*	*			trans	-120.7	170.6	161.7	-63	172.8	66.4	0	0	106.7
921	P	47.7	Very low	31.1	Very low	98 Å²	98	146 Å²	146	64%	0.636	78%	0.782	S	S	*	*			cis	-141.2	-169.9	9.3	27.5	-0.9	0	0	0	115.8
922	R	29.3	Very low	32.1	Very low	224 Å²	224	145.3 Å²	145.3	85%	0.845	79%	0.786	S	S	*	*			trans	95.3	120.1	151.5	-53.8	-168.3	-170.5	-147.4	0.8	120.9
923	V	28.6	Very low	32.6	Very low	135 Å²	135	144.9 Å²	144.9	82%	0.818	78%	0.78	S	S	*	*				11	149.1	128.4	-113.4	0	0	0	0	119.1
924	S	27.7	Very low	33.1	Very low	87 Å²	87	148 Å²	148	61%	0.608	77%	0.773	S	S	*	*			cis	-175.6	154.3	25.9	54.8	0	0	0	0	116.5
925	V	30.3	Very low	33.2	Very low	133 Å²	133	143 Å²	143	81%	0.806	77%	0.766	S	S	*	*			trans	59.1	174.2	150.1	-69.8	0	0	0	0	120.9
926	P	50.1	Low	33.6	Very low	109 Å²	109	147.3 Å²	147.3	71%	0.708	76%	0.764	S	S	*	*			cis	-142.1	163.2	-45.1	36.7	-18.8	0	0	0	118.8
927	A	32.7	Very low	33.6	Very low	87 Å²	87	148 Å²	148	72%	0.719	77%	0.768	S	S	*	*			trans	69.8	152	131.5	0	0	0	0	0	127.1
928	R	31.3	Very low	33.6	Very low	249 Å²	249	143.3 Å²	143.3	94%	0.94	76%	0.764	S	S	*	*			trans	76.3	150.2	156.8	-78.7	172.2	174	173	-1.8	117.3
929	A	30.3	Very low	33.7	Very low	90 Å²	90	145.5 Å²	145.5	74%	0.744	77%	0.766	S	S	*	*			cis	-149.4	-176	5.1	0	0	0	0	0	110.4
930	K	28.9	Very low	33.8	Very low	207 Å²	207	137.7 Å²	137.7	90%	0.9	75%	0.754	S	S	*	*			cis	-155.8	-146.2	0.2	-149.5	-172.3	176.6	-175	0	111.1
931	S	32.1	Very low	34	Very low	82 Å²	82	137.5 Å²	137.5	57%	0.573	76%	0.756	S	S	*	*			trans	-140.9	160.5	175.8	-178.1	0	0	0	0	109.4
932	P	50.9	Low	33	Very low	120 Å²	120	138.2 Å²	138.2	78%	0.779	76%	0.763	S	S	*	*				-124.5	160.3	92.4	5.8	17	0	0	0	112.7
933	E	37.9	Very low	32.9	Very low	156 Å²	156	134.5 Å²	134.5	73%	0.729	76%	0.758	S	S	*	*			cis	77.9	139.6	40.2	-64.6	-145.9	129.2	0	0	114.9
934	H	38.2	Very low	33.1	Very low	142 Å²	142	136.7 Å²	136.7	66%	0.657	76%	0.76	S	S	*	*			cis	-168.1	149.1	-8.9	-133.1	113.6	0	0	0	111.4
935	A	29.7	Very low	33.5	Very low	93 Å²	93	137.4 Å²	137.4	77%	0.769	77%	0.771	S	S	*	*			trans	-160.6	114	150.8	0	0	0	0	0	109.9
936	R	37.4	Very low	33.6	Very low	205 Å²	205	137.1 Å²	137.1	77%	0.774	77%	0.77	S	S	*	*				81.6	141.5	57.9	-72.6	-173.9	-177.2	-165.6	1.5	112.9
937	N	31.9	Very low	32.8	Very low	131 Å²	131	137 Å²	137	70%	0.701	77%	0.767	S	S	*	*			cis	-164.1	152.5	17.9	-115.5	5.2	0	0	0	107.7
938	V	30.1	Very low	32.7	Very low	123 Å²	123	139.2 Å²	139.2	75%	0.745	77%	0.771	S	S	*	*			cis	-155.8	-168.8	-8.4	-145.5	0	0	0	0	108.1
939	I	29.9	Very low	32.7	Very low	167 Å²	167	132.7 Å²	132.7	86%	0.856	76%	0.755	S	S	*	*			trans	91.7	131.4	164.5	-50.4	-176.8	0	0	0	116.3
940	A	29	Very low	32.9	Very low	85 Å²	85	134.1 Å²	134.1	70%	0.702	75%	0.754	S	S	*	*			trans	-156.4	169.5	-179.3	0	0	0	0	0	111.4
941	L	29.5	Very low	34.1	Very low	165 Å²	165	128.4 Å²	128.4	86%	0.864	74%	0.738	S	S	*	*			trans	70	105.4	163.2	-61.8	168.1	0	0	0	120.2
942	S	26.6	Very low	34.1	Very low	112 Å²	112	132.3 Å²	132.3	78%	0.783	75%	0.747	S	S	*	*			trans	-149.8	135.1	136.7	36.1	0	0	0	0	106.7
943	I	27.4	Very low	33.2	Very low	146 Å²	146	134.9 Å²	134.9	75%	0.749	74%	0.743	S	S	*	*			cis	76.8	143	46.8	-48	159.6	0	0	0	111.8
944	E	33.1	Very low	32.9	Very low	181 Å²	181	134.4 Å²	134.4	85%	0.846	74%	0.74	S	S	*	*			trans	89.7	108.5	170.1	-49.7	-162.4	156.1	0	0	119.2
945	A	35.1	Very low	32.7	Very low	102 Å²	102	134.6 Å²	134.6	84%	0.843	75%	0.746	S	S	*	*			trans	-155.7	62	161.1	0	0	0	0	0	110.1
946	T	32.9	Very low	32.8	Very low	128 Å²	128	132.8 Å²	132.8	79%	0.785	74%	0.736	S	S	*	*			trans	-154.1	157	-177.4	52.4	0	0	0	0	107.8
947	T	33.4	Very low	32.5	Very low	106 Å²	106	128.9 Å²	128.9	65%	0.65	74%	0.736	S	S	*	*			cis	-122.4	171.5	5.9	41.9	0	0	0	0	109.8	D949	T947-D949 WeakPolarHBondContact CB-OD2 3.43Å; T947-D949 WeakPolarHBondContact CG2-OD2 3.33Å
948	V	31.3	Very low	32.6	Very low	133 Å²	133	129.8 Å²	129.8	81%	0.806	74%	0.739	S	S	*	*				-173.6	150.7	65.5	159.5	0	0	0	0	109.7
949	D	30.3	Very low	32.9	Very low	112 Å²	112	132.9 Å²	132.9	60%	0.599	74%	0.742	S	S	*	*			cis	-172.9	175.6	-39.9	-131.6	-57.2	0	0	0	110.6	T947	T947-D949 WeakPolarHBondContact CB-OD2 3.43Å; T947-D949 WeakPolarHBondContact CG2-OD2 3.33Å
950	V	34.9	Very low	33	Very low	120 Å²	120	135.4 Å²	135.4	73%	0.727	74%	0.741	S	S	*	*			trans	51.9	129.8	151.1	170	0	0	0	0	120.4
951	P	53.7	Low	33.1	Very low	87 Å²	87	136.6 Å²	136.6	57%	0.565	74%	0.74	S	S	*	*			cis	-147.3	-172.3	-26	43.7	-24.7	0	0	0	116
952	H	32.2	Very low	33.2	Very low	164 Å²	164	137.9 Å²	137.9	76%	0.759	74%	0.739	S	S	*	*			trans	72.7	146.2	153.6	-61.3	-25.4	0	0	0	119.4
953	Y	32.2	Very low	33.6	Very low	175 Å²	175	136.7 Å²	136.7	69%	0.686	74%	0.735	S	S	*	*			cis	-157.3	156.6	-5.6	-141	-132.7	0	0	0	111.1
954	E	33.1	Very low	34	Very low	145 Å²	145	135.3 Å²	135.3	68%	0.678	73%	0.734	S	S	*	*			trans	38.1	153.5	147.5	-86.7	174.4	-166.4	0	0	123.2
955	D	33.9	Very low	34.2	Very low	147 Å²	147	135.9 Å²	135.9	79%	0.786	73%	0.734	S	S	*	*			cis	-154.3	-175.4	-6.7	-167.7	11.2	0	0	0	109.2
956	G	31.4	Very low	34	Very low	54 Å²	54	134.3 Å²	134.3	56%	0.557	73%	0.728	S	S	*	*			trans	-75.5	-154.7	168.4	0	0	0	0	0	113.9
957	T	31.3	Very low	34	Very low	124 Å²	124	136.6 Å²	136.6	76%	0.761	73%	0.727	S	S	*	*			cis	-170	169.8	-12.6	4.6	0	0	0	0	109.1
958	I	33.9	Very low	33.9	Very low	150 Å²	150	137.8 Å²	137.8	77%	0.769	73%	0.73	S	S	*	*			trans	69.6	102.8	154.2	-64.3	154.3	0	0	0	120.1
959	K	35.3	Very low	33.9	Very low	187 Å²	187	134.6 Å²	134.6	81%	0.813	72%	0.724	S	S	*	*				13.2	149.1	126.7	-54.9	172.8	-179.6	172.5	0	121.7
960	R	32.6	Very low	34.9	Very low	220 Å²	220	134.2 Å²	134.2	83%	0.83	73%	0.727	S	S	*	*				102.8	107.3	128.1	-103.1	179.1	-176.1	177	-1.1	122.5
961	T	32	Very low	35.1	Very low	110 Å²	110	136.7 Å²	136.7	68%	0.675	73%	0.73	S	S	*	*				79.2	139.8	125.1	42.1	0	0	0	0	126
962	F	30.1	Very low	34.2	Very low	192 Å²	192	138.7 Å²	138.7	84%	0.842	74%	0.737	S	S	*	*			trans	76.5	115.6	149.9	-74.3	-61.1	0	0	0	123
963	A	34.9	Very low	34.3	Very low	87 Å²	87	136.4 Å²	136.4	72%	0.719	73%	0.734	S	S	*	*				42.4	138.8	120.5	0	0	0	0	0	120.5
964	T	37.4	Very low	34.4	Very low	118 Å²	118	134.3 Å²	134.3	72%	0.724	73%	0.73	S	S	*	*			cis	-149.2	-161.5	15.7	53.3	0	0	0	0	109.5
965	F	35.6	Very low	34.3	Very low	192 Å²	192	137.7 Å²	137.7	84%	0.842	74%	0.737	S	S	*	*			cis	-162.6	149.3	0.4	-132	-46.8	0	0	0	110.6
966	G	31.4	Very low	34	Very low	69 Å²	69	134.1 Å²	134.1	71%	0.711	74%	0.735	S	S	*	*			trans	79.1	146.8	166.4	0	0	0	0	0	115.3
967	K	33.7	Very low	33.8	Very low	177 Å²	177	140.2 Å²	140.2	77%	0.77	75%	0.749	S	S	*	*			cis	-159.9	169.3	0.2	-104.2	179.9	155.9	-73.9	0	107.1
968	D	31.3	Very low	33.7	Very low	131 Å²	131	140.7 Å²	140.7	70%	0.701	75%	0.746	S	S	*	*			cis	-153.6	-172.6	5.7	-124.2	-20.6	0	0	0	110.8
969	G	30.9	Very low	33.5	Very low	66 Å²	66	142.4 Å²	142.4	68%	0.68	75%	0.748	S	S	*	*			trans	-88.9	-160.8	174.2	0	0	0	0	0	115.3
970	P	52.2	Low	33.1	Very low	103 Å²	103	137 Å²	137	67%	0.669	75%	0.745	S	S	*	*			cis	-126.1	149	11.2	44.2	-29.8	0	0	0	114.9
971	E	38.5	Very low	33	Very low	172 Å²	172	136.7 Å²	136.7	80%	0.804	75%	0.75	S	S	*	*				78.9	143.8	99.2	-61.3	166.7	-176.6	0	0	114.5
972	D	34.2	Very low	32.8	Very low	130 Å²	130	143.3 Å²	143.3	70%	0.695	76%	0.763	S	S	*	*			cis	-160.1	141.2	3.9	-120.3	17.1	0	0	0	111.2
973	V	35	Very low	32.9	Very low	115 Å²	115	140.4 Å²	140.4	70%	0.697	76%	0.761	S	S	*	*				76.9	134	89.6	166.4	0	0	0	0	114.6
974	E	33	Very low	32.7	Very low	131 Å²	131	145 Å²	145	61%	0.612	77%	0.767	S	S	*	*			cis	-159.7	172	-8.7	-121.4	-161.8	150.4	0	0	112.4
975	R	31.6	Very low	32.1	Very low	217 Å²	217	148.6 Å²	148.6	82%	0.819	78%	0.776	S	S	*	*			trans	40.5	147.6	150.6	-64.8	178.2	-157.5	-114.3	-16.6	122.9
976	G	27.5	Very low	31.8	Very low	72 Å²	72	144.2 Å²	144.2	74%	0.742	77%	0.769	S	S	*	*			trans	175.3	12.7	159.8	0	0	0	0	0	125.3
977	E	27.8	Very low	31.8	Very low	181 Å²	181	149.7 Å²	149.7	85%	0.846	78%	0.776	S	S	*	*			trans	58.7	163.1	161.6	-86	-169.1	179.1	0	0	123.2
978	L	28.4	Very low	31.6	Very low	134 Å²	134	147.6 Å²	147.6	70%	0.702	78%	0.778	S	S	*	*			trans	76.1	132	154.2	-72.7	156.9	0	0	0	123.9
979	K	29.5	Very low	31.3	Very low	187 Å²	187	147.1 Å²	147.1	81%	0.813	78%	0.783	S	S	*	*			trans	58.4	98.1	143.3	-70.2	170.7	178.3	170.2	0	121
980	G	26.6	Very low	31.6	Very low	74 Å²	74	149.4 Å²	149.4	76%	0.763	79%	0.789	S	S	*	*				66.3	124.8	89	0	0	0	0	0	121.1
981	K	30.6	Very low	31.4	Very low	213 Å²	213	150.7 Å²	150.7	93%	0.926	80%	0.797	S	S	*	*			trans	55.6	103.3	159.9	-66.5	-176	178.3	178.9	0	118.6
982	R	28.4	Very low	31.2	Very low	249 Å²	249	151.9 Å²	151.9	94%	0.94	80%	0.8	S	S	*	*				-160	157.4	104.4	-125.3	176.5	-178.4	149	1.9	113.2
983	T	32.6	Very low	31	Very low	131 Å²	131	150.5 Å²	150.5	80%	0.804	81%	0.806	S	S	*	*			trans	-97.6	167.4	175.3	31.4	0	0	0	0	112
984	Q	29.8	Very low	30.8	Very low	182 Å²	182	152.7 Å²	152.7	85%	0.85	81%	0.814	S	S	*	*			trans	81.9	104.1	151.4	-163.2	174.7	52.8	0	0	118.7
985	E	25.7	Very low	30.6	Very low	195 Å²	195	150.2 Å²	150.2	91%	0.911	82%	0.824	S	S	*	*				-145.4	-179.8	127.5	-144.1	170	-146.4	0	0	109.5
986	S	29	Very low	30.5	Very low	99 Å²	99	143.7 Å²	143.7	69%	0.692	82%	0.824	S	S	*	*			trans	-139.1	178	-162.6	-62.1	0	0	0	0	114.8
987	Q	31.8	Very low	30.7	Very low	185 Å²	185	144.9 Å²	144.9	86%	0.864	83%	0.827	S	S	*	*			trans	83.8	176.4	156.7	-73.1	-167.1	-4.2	0	0	120.2
988	V	28.7	Very low	30.8	Very low	133 Å²	133	142.9 Å²	142.9	81%	0.806	83%	0.827	S	S	*	*			trans	74.8	106.5	-171.6	-167.6	0	0	0	0	112.5
989	C	25.8	Very low	30.9	Very low	120 Å²	120	146.5 Å²	146.5	81%	0.811	83%	0.831	S	S	*	*			cis	108.3	139.8	33.5	-75.1	0	0	0	0	112.5
990	S	36.2	Very low	31.1	Very low	114 Å²	114	145.1 Å²	145.1	80%	0.797	83%	0.828	S	S	*	*			trans	-75	172.2	178.7	-36.3	0	0	0	0	112.7
991	P	49.5	Very low	31.5	Very low	131 Å²	131	146.4 Å²	146.4	85%	0.851	83%	0.831	S	S	*	*				-153.4	-178.5	90.4	40.5	-21.1	0	0	0	118.1
992	K	33.8	Very low	31.5	Very low	196 Å²	196	140 Å²	140	85%	0.852	83%	0.825	S	S	*	*			trans	-66.9	166.1	-173.9	-53.4	164.7	178.8	174.3	0	116.8
993	A	29.5	Very low	31.8	Very low	101 Å²	101	136.1 Å²	136.1	84%	0.835	82%	0.823	S	S	*	*			trans	-138.7	164	146.7	0	0	0	0	0	111
994	N	30.6	Very low	31.8	Very low	162 Å²	162	133.2 Å²	133.2	87%	0.866	82%	0.819	S	S	*	*			trans	-133.2	158.5	-169.9	-85.8	-15.7	0	0	0	112.8
995	G	29	Very low	32.1	Very low	78 Å²	78	134.3 Å²	134.3	80%	0.804	82%	0.815	S	S	*	*				132.9	102.8	123.9	0	0	0	0	0	121.5
996	G	29.3	Very low	32.6	Very low	81 Å²	81	131.7 Å²	131.7	84%	0.835	80%	0.803	S	S	*	*			trans	75.2	167.6	146.4	0	0	0	0	0	119.3
997	A	32	Very low	32.6	Very low	97 Å²	97	131.2 Å²	131.2	80%	0.802	81%	0.805	S	S	*	*			cis	-169.3	175.4	-17.5	0	0	0	0	0	110.9
998	V	29.9	Very low	32.5	Very low	139 Å²	139	126.7 Å²	126.7	84%	0.842	80%	0.8	S	S	*	*			trans	96.4	135.2	161.6	-170.2	0	0	0	0	119.5
999	R	31.1	Very low	32.6	Very low	210 Å²	210	125.4 Å²	125.4	79%	0.792	80%	0.797	S	S	*	*			trans	-38.4	177.8	171.4	-47.1	-175.8	-177.5	174.6	-2.6	118.1
1000	E	32.6	Very low	33.6	Very low	157 Å²	157	125.7 Å²	125.7	73%	0.734	80%	0.797	S	S	*	*			cis	-155.6	-172.9	23.3	-149.6	147.9	-121.1	0	0	114.6
1001	A	34.9	Very low	33.6	Very low	101 Å²	101	127.5 Å²	127.5	84%	0.835	80%	0.796	S	S	*	*			trans	-40.1	156.9	-171.4	0	0	0	0	0	118.6
1002	G	31.6	Very low	32.7	Very low	78 Å²	78	127.8 Å²	127.8	80%	0.804	80%	0.795	S	S	*	*			cis	-178.8	-146.5	6.9	0	0	0	0	0	109.3
1003	N	35.2	Very low	32.9	Very low	169 Å²	169	123.4 Å²	123.4	90%	0.904	79%	0.79	S	S	*	*			cis	-167.6	153.3	-5.4	-176.3	20.5	0	0	0	108.8
1004	G	32.4	Very low	34	Very low	69 Å²	69	124 Å²	124	71%	0.711	79%	0.785	S	S	*	*			trans	167.5	134.6	176	0	0	0	0	0	114.6
1005	R	36.3	Very low	34	Very low	205 Å²	205	121.8 Å²	121.8	77%	0.774	78%	0.777	S	S	*	*			trans	-111.1	166.6	-171.9	-79.5	173.8	159.2	-138.4	7.6	112.9
1006	E	34.7	Very low	34.2	Very low	141 Å²	141	125.8 Å²	125.8	66%	0.659	77%	0.774	S	S	*	*			cis	-114.7	-119.6	1.3	-154.6	84.5	-111.7	0	0	111.4
1007	A	30.4	Very low	34.2	Very low	89 Å²	89	128.5 Å²	128.5	74%	0.736	77%	0.769	S	S	*	*			cis	-154	-159.8	-0.2	0	0	0	0	0	110.7
1008	A	28	Very low	34	Very low	90 Å²	90	132.9 Å²	132.9	74%	0.744	77%	0.77	S	S	*	*			trans	-94.3	143.9	-179.3	0	0	0	0	0	112.5
1009	S	32.2	Very low	34.1	Very low	106 Å²	106	131.2 Å²	131.2	74%	0.741	77%	0.765	S	S	*	*			cis	78.3	149.6	45	-67.1	0	0	0	0	113.4
1010	P	46.8	Very low	35	Very low	126 Å²	126	127.4 Å²	127.4	82%	0.818	77%	0.767	S	S	*	*			cis	-137.3	173.5	30	43	-25.5	0	0	0	119.3
1011	I	36.5	Very low	34.9	Very low	152 Å²	152	127 Å²	127	78%	0.779	77%	0.767	S	S	*	*			trans	-87.6	147.8	168.4	-62.8	153.1	0	0	0	109.6
1012	T	29.7	Very low	34.6	Very low	136 Å²	136	127.7 Å²	127.7	83%	0.834	77%	0.765	S	S	*	*			trans	-175.7	133.7	136.1	26	0	0	0	0	115
1013	S	37.7	Very low	34.5	Very low	105 Å²	105	132.8 Å²	132.8	73%	0.734	77%	0.765	S	S	*	*			trans	-94.1	178.6	138.8	-42.9	0	0	0	0	107.9
1014	P	54	Low	34.2	Very low	114 Å²	114	129.1 Å²	129.1	74%	0.74	76%	0.759	S	S	*	*			cis	-152.4	-157.7	20.3	40	-14.4	0	0	0	116.9
1015	V	30.2	Very low	34	Very low	114 Å²	114	130.6 Å²	130.6	69%	0.691	76%	0.758	S	S	*	*			trans	97.6	117.3	138	144.7	0	0	0	0	123.4
1016	H	32.3	Very low	33.7	Very low	163 Å²	163	126.1 Å²	126.1	76%	0.755	76%	0.758	S	S	*	*			trans	64.2	160.1	146.8	-73.6	-32.2	0	0	0	122.7
1017	L	29.4	Very low	33.4	Very low	138 Å²	138	123.6 Å²	123.6	72%	0.723	76%	0.756	S	S	*	*			cis	-158.5	163	5	-131.7	156	0	0	0	113.4
1018	K	27.6	Very low	33.5	Very low	189 Å²	189	129.4 Å²	129.4	82%	0.822	76%	0.76	S	S	*	*			trans	80.5	149.8	167.4	-56.6	173.4	-175.8	173.6	0	117
1019	S	33.3	Very low	33.5	Very low	104 Å²	104	132 Å²	132	73%	0.727	76%	0.762	S	S	*	*			cis	177.1	168.6	-22.4	58.6	0	0	0	0	109
1020	P	50.1	Low	33.5	Very low	130 Å²	130	133 Å²	133	84%	0.844	76%	0.764	S	S	*	*			cis	-129.6	-147.3	-3.1	42.5	-22.9	0	0	0	113.8
1021	M	28.7	Very low	32.6	Very low	148 Å²	148	134.8 Å²	134.8	73%	0.729	77%	0.766	S	S	*	*			trans	-127.4	153.4	-164	-58.2	165.1	50.8	0	0	117.4	K1023	M1021-K1023 HydrophobicContact CE-CD 4.06Å; M1021-K1023 HydrophobicContact CE-CG 4.25Å
1022	S	29.1	Very low	32.3	Very low	115 Å²	115	136.2 Å²	136.2	80%	0.804	77%	0.766	S	S	*	*				-169.9	123.6	128.8	45.5	0	0	0	0	108.9
1023	K	30.5	Very low	32.1	Very low	185 Å²	185	135 Å²	135	80%	0.804	76%	0.762	S	S	*	*				61.2	127.4	63.1	-77.8	-166.6	172.8	-175.8	0	114.1	M1021	M1021-K1023 HydrophobicContact CE-CD 4.06Å; M1021-K1023 HydrophobicContact CE-CG 4.25Å
1024	A	29.1	Very low	31.7	Very low	92 Å²	92	140.1 Å²	140.1	76%	0.76	77%	0.765	S	S	*	*			cis	-134.6	-157.8	-1.4	0	0	0	0	0	109.6
1025	S	27.9	Very low	30.5	Very low	100 Å²	100	140.5 Å²	140.5	70%	0.699	76%	0.761	S	S	*	*			cis	-164.7	141.9	7.9	22.8	0	0	0	0	106.7
1026	S	30.2	Very low	30.5	Very low	111 Å²	111	139.1 Å²	139.1	78%	0.776	76%	0.761	S	S	*	*				63.4	128.1	63.5	83.5	0	0	0	0	114
1027	S	28.6	Very low	30.3	Very low	88 Å²	88	138.3 Å²	138.3	62%	0.615	76%	0.758	S	S	*	*			cis	-171.6	159.6	16.4	57.9	0	0	0	0	115.8
1028	Y	31.4	Very low	30.3	Very low	211 Å²	211	141 Å²	141	83%	0.827	76%	0.758	S	S	*	*			trans	66.4	152.7	157.4	-63.3	-59.1	0	0	0	117.9
1029	N	28	Very low	30.3	Very low	145 Å²	145	138.9 Å²	138.9	78%	0.775	76%	0.755	S	S	*	*			cis	-142.1	161.4	24.7	-117	-28.5	0	0	0	114.1
1030	T	31.8	Very low	30.2	Very low	127 Å²	127	137.8 Å²	137.8	78%	0.779	75%	0.752	S	S	*	*			trans	-146.1	123.7	168.9	40.4	0	0	0	0	112.8
1031	L	28.3	Very low	29.2	Very low	164 Å²	164	138.4 Å²	138.4	86%	0.859	75%	0.748	S	S	*	*			trans	-165.4	142.3	160.5	-92.5	126.3	0	0	0	107.4
1032	K	29.5	Very low	29.4	Very low	181 Å²	181	139.7 Å²	139.7	79%	0.787	75%	0.752	S	S	*	*			cis	114	118.4	11.1	-102.3	-162.8	171.8	-176.1	0	113.1
1033	C	25.9	Very low	29.3	Very low	111 Å²	111	140 Å²	140	75%	0.75	76%	0.755	S	S	*	*			trans	65	162.1	156	-56.5	0	0	0	0	115.2
1034	R	30.7	Very low	29.3	Very low	213 Å²	213	138.6 Å²	138.6	80%	0.804	76%	0.755	S	S	*	*			cis	-158.9	169.6	-8.8	-125.5	178.8	169.8	167.1	-1.3	105
1035	D	28	Very low	29.3	Very low	122 Å²	122	141.6 Å²	141.6	65%	0.652	76%	0.757	S	S	*	*			cis	-151.1	164.6	24.8	-95.7	-49.6	0	0	0	108.1
1036	A	29.5	Very low	29.3	Very low	84 Å²	84	148.5 Å²	148.5	69%	0.694	77%	0.768	S	S	*	*				48.1	140.6	87.6	0	0	0	0	0	115.3
1037	E	28.6	Very low	29.4	Very low	146 Å²	146	151.6 Å²	151.6	68%	0.682	77%	0.77	S	S	*	*			cis	-163.1	176	11.3	-153.7	-179.2	-121.3	0	0	111.3
1038	R	28.7	Very low	30.4	Very low	195 Å²	195	152 Å²	152	74%	0.736	77%	0.771	S	S	*	*			trans	88.1	126.2	151.4	-72	173.6	-161.8	-124.9	-18.3	123.6
1039	I	28.9	Very low	30.3	Very low	144 Å²	144	150.9 Å²	150.9	74%	0.738	77%	0.773	S	S	*	*			trans	64.6	106.1	134.7	-57.8	166	0	0	0	115.9
1040	A	30.2	Very low	30.4	Very low	82 Å²	82	147.2 Å²	147.2	68%	0.678	77%	0.769	S	S	*	*			cis	97.1	149.8	32.4	0	0	0	0	0	115.1
1041	N	30.5	Very low	30.4	Very low	142 Å²	142	149.8 Å²	149.8	76%	0.759	77%	0.77	S	S	*	*			trans	70.9	108.3	178	-61.1	-4.4	0	0	0	115.1
1042	H	32.2	Very low	30.6	Very low	176 Å²	176	147.5 Å²	147.5	82%	0.815	76%	0.758	S	S	*	*				75.8	113.1	76	-84.8	-71.6	0	0	0	114.2
1043	S	27.7	Very low	30.7	Very low	122 Å²	122	144.5 Å²	144.5	85%	0.853	76%	0.76	S	S	*	*				-169.7	162.1	117.2	45.1	0	0	0	0	111.4
1044	L	30.2	Very low	31	Very low	154 Å²	154	146.9 Å²	146.9	81%	0.806	76%	0.76	S	S	*	*			trans	-113.2	172.5	-175.4	-76.4	161.7	0	0	0	111.5
1045	L	29.3	Very low	31.8	Very low	155 Å²	155	142.3 Å²	142.3	81%	0.812	76%	0.758	S	S	*	*			trans	66.1	112.4	155.4	-67.8	147.5	0	0	0	118.9
1046	R	27.9	Very low	32	Very low	245 Å²	245	140.7 Å²	140.7	93%	0.925	76%	0.761	S	S	*	*				178.7	150.6	100.3	-106.1	179.2	174.6	166.5	-2.2	115.2
1047	Q	32	Very low	32	Very low	177 Å²	177	142.1 Å²	142.1	83%	0.827	76%	0.762	S	S	*	*			trans	-92.6	-178.6	154	-68.4	179	-29.5	0	0	108.5
1048	P	48.7	Very low	32.1	Very low	96 Å²	96	145.1 Å²	145.1	62%	0.623	77%	0.767	S	S	*	*			cis	-136.4	-165.2	6	44.9	-26.4	0	0	0	114.8
1049	E	30.1	Very low	32.2	Very low	188 Å²	188	142 Å²	142	88%	0.879	76%	0.76	S	S	*	*			trans	57.4	139.5	156.4	-69.8	158.8	-167.1	0	0	119.2
1050	G	29.2	Very low	32.2	Very low	68 Å²	68	141.4 Å²	141.4	70%	0.701	76%	0.757	S	S	*	*			cis	127.7	127.7	-1.5	0	0	0	0	0	111.9
1051	K	31.7	Very low	32.3	Very low	181 Å²	181	144 Å²	144	79%	0.787	76%	0.76	S	S	*	*			trans	-179.8	150.7	159.3	-109.6	176.3	156.2	-71.2	0	118.2
1052	D	32	Very low	32.2	Very low	115 Å²	115	143 Å²	143	62%	0.615	76%	0.759	S	S	*	*			trans	69.1	119.3	142.7	-59.2	-19.4	0	0	0	125.3
1053	S	31.8	Very low	32.1	Very low	118 Å²	118	141.4 Å²	141.4	83%	0.825	76%	0.756	S	S	*	*			trans	81.7	109.3	136.5	55.4	0	0	0	0	123.5
1054	E	32.1	Very low	32.2	Very low	162 Å²	162	141.7 Å²	141.7	76%	0.757	75%	0.747	S	S	*	*			trans	-41.3	170.4	143.1	-109	-167.1	168.1	0	0	116
1055	P	47.9	Very low	32.3	Very low	117 Å²	117	141.8 Å²	141.8	76%	0.76	74%	0.743	S	S	*	*			cis	-150.2	-178.1	47.5	43	-21.9	0	0	0	119.9
1056	A	32.6	Very low	32.2	Very low	87 Å²	87	141.4 Å²	141.4	72%	0.719	74%	0.742	S	S	*	*			trans	73.8	111	168.7	0	0	0	0	0	116.3
1057	V	29.9	Very low	32.3	Very low	115 Å²	115	132.5 Å²	132.5	70%	0.697	73%	0.727	S	S	*	*			cis	84.7	128.2	27.1	-167	0	0	0	0	114.9
1058	R	30.1	Very low	32.3	Very low	209 Å²	209	135.2 Å²	135.2	79%	0.789	73%	0.729	S	S	*	*			trans	91.3	139.5	175.1	-63	-158.5	144	126.6	5.1	118.7
1059	E	30.3	Very low	31.4	Very low	128 Å²	128	135.7 Å²	135.7	60%	0.598	73%	0.727	S	S	*	*			cis	-169	144.4	-24.2	-119.2	165.8	-143.2	0	0	108.9
1060	I	30.6	Very low	31.5	Very low	133 Å²	133	134.5 Å²	134.5	68%	0.682	72%	0.718	S	S	*	*			trans	54.2	128.1	141.1	-64.2	167.5	0	0	0	122
1061	N	30.7	Very low	31.5	Very low	136 Å²	136	140.6 Å²	140.6	73%	0.727	73%	0.729	S	S	*	*			trans	12.1	137.2	144.9	-45.7	-23.9	0	0	0	119.1
1062	T	29.7	Very low	31.5	Very low	121 Å²	121	137.1 Å²	137.1	74%	0.742	73%	0.727	S	S	*	*				179.9	151.3	80.1	28.9	0	0	0	0	115
1063	L	29.9	Very low	32.1	Very low	142 Å²	142	137 Å²	137	74%	0.743	73%	0.732	S	S	*	*			trans	57.5	127	135.7	-63.3	168.9	0	0	0	124.5
1064	L	30	Very low	31.9	Very low	128 Å²	128	136.2 Å²	136.2	67%	0.67	73%	0.727	S	S	*	*				79.5	137.2	129.4	-71	170.8	0	0	0	123.5
1065	H	31.1	Very low	31.8	Very low	157 Å²	157	133.4 Å²	133.4	73%	0.727	73%	0.725	S	S	*	*			trans	67.4	149.7	145.7	-80	-50.3	0	0	0	118.9
1066	D	28.7	Very low	31.1	Very low	146 Å²	146	137.2 Å²	137.2	78%	0.781	73%	0.73	S	S	*	*			cis	-151.6	-178.6	-6.3	-150	3.7	0	0	0	111.4
1067	G	29.2	Very low	31.1	Very low	59 Å²	59	145 Å²	145	61%	0.608	74%	0.741	S	S	*	*			trans	94.6	98.6	137.1	0	0	0	0	0	118.9
1068	R	31	Very low	31.3	Very low	234 Å²	234	146.7 Å²	146.7	88%	0.883	75%	0.745	S	S	*	*				0.5	151.6	126.3	-64.6	178.4	-174.1	155.6	3.1	117.5
1069	D	30.3	Very low	31.4	Very low	106 Å²	106	144.1 Å²	144.1	57%	0.567	74%	0.74	S	S	*	*			cis	-160.3	171.6	36.4	-137.8	-14.2	0	0	0	115
1070	K	32.2	Very low	31.5	Very low	163 Å²	163	143.8 Å²	143.8	71%	0.709	74%	0.742	S	S	*	*			trans	-5.5	139.8	166	-55	132.7	-168.6	156.4	0	119.4
1071	E	29.5	Very low	31.5	Very low	196 Å²	196	145.3 Å²	145.3	92%	0.916	75%	0.75	S	S	*	*				-166.9	161.5	90.8	-103.8	-175.8	-173.7	0	0	113.4
1072	S	31.5	Very low	31.7	Very low	107 Å²	107	145.1 Å²	145.1	75%	0.748	75%	0.753	S	S	*	*			trans	-148.1	150.2	167.6	75.4	0	0	0	0	108.3
1073	P	44.1	Very low	32	Very low	112 Å²	112	150.4 Å²	150.4	73%	0.727	78%	0.776	S	S	*	*				-153.6	168.5	98.4	38.7	-21.2	0	0	0	117.3
1074	S	29.1	Very low	32.1	Very low	102 Å²	102	150.9 Å²	150.9	71%	0.713	78%	0.777	S	S	*	*			trans	75	94.4	142	64.7	0	0	0	0	122.3
1075	S	30.3	Very low	32.2	Very low	103 Å²	103	152.1 Å²	152.1	72%	0.72	78%	0.783	S	S	*	*				101.3	144.9	109.9	82.4	0	0	0	0	121.9
1076	K	32.4	Very low	32.3	Very low	197 Å²	197	151.8 Å²	151.8	86%	0.857	79%	0.786	S	S	*	*			trans	65.2	101.8	161.4	-63.4	178.4	-178.3	174.4	0	119.1
1077	R	32.9	Very low	32.5	Very low	251 Å²	251	152.1 Å²	152.1	95%	0.947	79%	0.786	S	S	*	*				-150.6	168.6	110.8	-121.6	174.9	-179.1	170.6	-0.1	112.3
1078	L	33.1	Very low	32.7	Very low	151 Å²	151	157.9 Å²	157.9	79%	0.791	80%	0.797	S	S	*	*			trans	-126.5	151.4	-174.1	-137.2	77.1	0	0	0	109.2
1079	K	33.4	Very low	32.8	Very low	155 Å²	155	152.9 Å²	152.9	67%	0.674	79%	0.792	S	S	*	*			trans	82.4	119.9	151.4	-72.2	-166.5	145.4	-67.6	0	122.1
1080	D	32.8	Very low	33	Very low	121 Å²	121	156.2 Å²	156.2	65%	0.647	81%	0.808	S	S	*	*				71.2	97.5	124.8	-47.8	-6.1	0	0	0	120.6
1081	I	30.6	Very low	33.1	Very low	165 Å²	165	155.7 Å²	155.7	85%	0.846	82%	0.815	S	S	*	*			trans	-137	117.4	139.1	-59.6	-178.7	0	0	0	108.3
1082	V	34.5	Very low	33.4	Very low	131 Å²	131	152.3 Å²	152.3	79%	0.794	81%	0.807	S	S	*	*			trans	-158.4	135.8	165.5	-173.1	0	0	0	0	104.3
1083	L	36	Very low	33.6	Very low	233 Å²	233	156.5 Å²	156.5	100%	1.22	81%	0.812	S	S	*	*			cis	-98.5	0	0.8	-66.2	161.1	0	0	0	111.8

Retrieved 1,083 of 1,083 residues in 1101.4 ms (Link to these results)

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