A0A3Q0KQY9_SCHMA Loading...

Kelch-like protein

AlphaFold DB , UniProt , Accession A0A3Q0KQY9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,339 aa.

						>A0A3Q0KQY9_SCHMA|A0A3Q0KQY9
MGTLPKQQGMRSDGRSLMDEGTDYYSVTAFKKMNAFRKEGQLCDVVIKAESREFLAHRVVLAASSDYFDAMFSSGMAESAQLEVELKSITPEIMDTLLDYVYTGQVRVSMANVQDLLPAASLVQMEGVKVACSNFLLTEVDSTNVLGIRRFAELHNCVELEKFTRNFAACNFESVVESEEFVCLTPEELLDLITREDLHIDNEESVYNAVMRWVYHQPIERVANLPSLLRNIRLSVMSVRFLTDVVDKDRLIRQSLECRDLVDDAKRFHLRPDLRHEMRDRRFRQRDGGNEYLVVIGGFGSDQDPSDSVEMFNPRTLEWNELPDLPISYRYVAACSLGTCVYVIGGFDGNERLNTVYSLDIAQREEGWRLLTPMHYKRGLSAACTNKGLIYVCGGFDGQSRLRSFEVYHPKIDEWRILEEMTTAREGAGLVVVDDTLYCLGGYDGFHLLNSMEAFDLHCGTWSVCKPMYMRRSGAGCALLGDTIYVCGGYGGAEGRGPSHLDTVEAYNTWLAQWTLVTSMNVPRCYVGACPLAGKIYVAAGYNGNSLLDTVESYDPIENTWWLHEESRMNHERCDTGMCVVRFPTCSVSQDTLTPVITSRNVINSSNIHSSPSAVSSASVNFHSAISQSSTWHLNDFNTNRANNVRINTQISVGHSNPSSFQGSPSSTRNVLSSSVSEPFRAGSQFGCPSASMNICNVNSQSPGNSHLSSTNRRSNRQVRSHPSRQNSLSNTAPVNGRELRNSRPPRHLLSLTASSLYPGNINIWNHESMRLPYVAQGMHNPRNHRSLVPSLLCNPHNILRCNTTPISQLTQQVENPLFNHSDTLSHTLDNIPSSSEESYIIQNNESTVNSAFSMMQQTDQPLENCGNVDINELASNLNASHFDAPTVTGSHLPASQRSSCSSPTLVSDIHHSAPEYGSSASCKHELFRSVDAINRLDSDNVFWSVSNISTFSVIENPTAGTFSQAITFNEDLSNSNVVIGAQVDNISGNVSLENLPSRNYVSLVGDSPDEQDHSNTFGDVRREHGDSVKCTDRSSYKLRTFMNTLISKPRELQSNSCVLSSNDSSDLPCEQPCDITLASSHLCNSSTPIPIAKVKPCSSTVVGNSCTTTLNALPPSIRNTSSIQQGNDPSICRNKQTFDQLCQRYRPVMPHPFKTDPIWPFRYNTESCQTHGAQEDRIITSANDQKVSSSLCEVNDQRVITIGETSFAFGVAESSHAYSDSDDLSIRNQSEDPNQTGVSVKPDVTCTTSVIESVHSTGAPGCCSSNSDDALLNQPHSLIDNPSNCEPDITLCTVVCNPGNMDDSPESQPDTRSDGEGEEGDDLDVVLRNPAVGQVDDE
					

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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	33.4	Very low	34.7	Very low	253 Å²	253	165.4 Å²	165.4	100%	1.246	88%	0.881	S	S	*	*				0	152	0	-74.5	-168.7	-91.5	0	0	108.5
2	G	35.5	Very low	35.2	Very low	83 Å²	83	161.2 Å²	161.2	86%	0.856	88%	0.875	S	S	*	*			trans	118.2	51.8	177.6	0	0	0	0	0	115.2
3	T	35.8	Very low	35	Very low	136 Å²	136	161 Å²	161	83%	0.834	87%	0.873	S	S	*	*			trans	-86.7	146.2	167.9	39.5	0	0	0	0	111.2
4	L	33.8	Very low	35.1	Very low	169 Å²	169	154.9 Å²	154.9	89%	0.885	87%	0.867	S	S	*	*			trans	-175.6	146.5	136.4	-97.4	164.7	0	0	0	109.2
5	P	40	Very low	35.1	Very low	116 Å²	116	160.3 Å²	160.3	75%	0.753	87%	0.868	S	S	*	*			trans	-95.3	167.9	-168.8	37.9	-35.8	0	0	0	113.7
6	K	36.9	Very low	35.7	Very low	184 Å²	184	156.9 Å²	156.9	80%	0.8	86%	0.86	S	S	*	*			trans	-128	121.6	165.5	-85.1	-168.4	174.7	-175.9	0	113.5
7	Q	35.7	Very low	36.1	Very low	174 Å²	174	157.5 Å²	157.5	81%	0.813	86%	0.861	S	S	*	*			trans	59.4	120.5	140.9	-64.5	173.5	-67.2	0	0	119.4	G9	Q7-G9 PolarHBondContact O-N 3.03Å
8	Q	29.5	Very low	36.5	Very low	201 Å²	201	156.2 Å²	156.2	94%	0.939	85%	0.85	S	S	*	*	P	Polyproline II helix	trans	-68	120.4	166.1	-64.7	156	-50	0	0	110
9	G	36.6	Very low	37.2	Very low	67 Å²	67	155.9 Å²	155.9	69%	0.691	85%	0.848	S	S	*	*	P	Polyproline II helix	trans	-94.9	141	154.8	0	0	0	0	0	109.1	Q7 R11	Q7-G9 PolarHBondContact O-N 3.03Å; G9-R11 PolarHBondContact O-N 2.9Å
10	M	32.4	Very low	37.5	Very low	200 Å²	200	158.3 Å²	158.3	99%	0.985	85%	0.853	S	S	*	*	P	Polyproline II helix	trans	-63.6	123.4	176.1	-74.7	179.3	165	0	0	110.4
11	R	32.6	Very low	38.2	Very low	236 Å²	236	152.7 Å²	152.7	89%	0.891	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-85.2	120.2	157.4	-74.4	-176	171.6	-171.6	-4.3	107.6	G9	G9-R11 PolarHBondContact O-N 2.9Å
12	S	40.9	Very low	39.2	Very low	115 Å²	115	143.8 Å²	143.8	80%	0.804	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-79.1	134.3	160.9	39.3	0	0	0	0	109	G14	S12-G14 VanDerWaalsContact C-N 3.35Å; S12-G14 PolarHBondContact O-N 3.45Å
13	D	32.5	Very low	40.5	Very low	159 Å²	159	145.1 Å²	145.1	85%	0.85	78%	0.78	S	S	*	*			trans	-73.5	83.1	-176.8	-74.6	-61.3	0	0	0	112.4	R15	D13-R15 VanDerWaalsContact C-N 3.29Å; D13-R15 PolarHBondContact O-N 2.72Å
14	G	35.5	Very low	42.5	Very low	76 Å²	76	147 Å²	147	78%	0.784	77%	0.773	S	S	*	*			trans	-76.7	71.5	169.2	0	0	0	0	0	112.3	S12 S16	S12-G14 VanDerWaalsContact C-N 3.35Å; S12-G14 PolarHBondContact O-N 3.45Å; G14-S16 PolarHBondContact O-N 3.16Å; G14-S16 VanDerWaalsContact O-N 3.1Å
15	R	35.7	Very low	44.7	Very low	235 Å²	235	147.3 Å²	147.3	89%	0.887	76%	0.763	S	S	*	*			trans	-70.4	100.2	166.2	-84.6	-171.5	171.9	-168.2	-3.6	109.5	D13	D13-R15 VanDerWaalsContact C-N 3.29Å; D13-R15 PolarHBondContact O-N 2.72Å
16	S	44	Very low	46.8	Very low	106 Å²	106	144.2 Å²	144.2	74%	0.741	74%	0.744	S	S	*	*			trans	-57.7	137.7	162	-169.1	0	0	0	0	109.1	G14	G14-S16 PolarHBondContact O-N 3.16Å; G14-S16 VanDerWaalsContact O-N 3.1Å
17	L	42.9	Very low	49.1	Very low	167 Å²	167	138.8 Å²	138.8	87%	0.874	73%	0.727	S	S	*	*			trans	-120.5	41.9	-168.8	-144.6	170.6	0	0	0	110.2
18	M	42.8	Very low	51.6	Low	134 Å²	134	133.1 Å²	133.1	66%	0.66	70%	0.704	S	S	*	*			trans	-144.8	119.9	-174.1	-66.1	-179.8	176.6	0	0	110.4
19	D	49.7	Very low	54.5	Low	152 Å²	152	125.1 Å²	125.1	81%	0.813	67%	0.672	S	S	*	*	S	Bend	trans	-155.8	-55	151.9	-141.7	-1.6	0	0	0	107.9	G21 T22	D19-G21 PolarHBondContact O-N 3.38Å; D19-T22 PolarHBondContact O-OG1 3.24Å; D19-T22 VanDerWaalsContact O-OG1 3.1Å
20	E	44.8	Very low	57.1	Low	203 Å²	203	125.3 Å²	125.3	95%	0.949	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.9	-9	177.9	-61.7	-174.9	144.8	0	0	115.2
21	G	50.9	Low	60	Low	41 Å²	41	122.7 Å²	122.7	42%	0.423	64%	0.637	S	S	.	*	T	Hydrogen-bonded Turn	trans	-100.9	-6.5	-174.2	0	0	0	0	0	115.7	D19 Y24 Y25	D19-G21 PolarHBondContact O-N 3.38Å; G21-Y24 PolarHBondContact O-N 3.21Å; G21-Y25 PolarHBondContact O-N 3.23Å
22	T	55.3	Low	62.8	Low	66 Å²	66	118 Å²	118	41%	0.405	62%	0.624	S	S	.	*	H	α-helix	trans	-70.4	-47.8	-161.3	-31.3	0	0	0	0	112.2	D19 Y24 Y25 S26	D19-T22 PolarHBondContact O-OG1 3.24Å; D19-T22 VanDerWaalsContact O-OG1 3.1Å; T22-Y24 VanDerWaalsContact C-N 3.33Å; T22-Y24 PolarHBondContact O-N 2.65Å; T22-Y25 PolarHBondContact O-N 3.33Å; T22-S26 PolarHBondContact O-N 2.72Å
23	D	63	Low	65.4	Low	111 Å²	111	115.1 Å²	115.1	59%	0.594	60%	0.598	S	S	*	*	H	α-helix	trans	-67.4	-32.8	177.9	-63.5	-15	0	0	0	112.4	Y25 S26 V27	D23-Y25 VanDerWaalsContact C-N 3.31Å; D23-Y25 PolarHBondContact O-N 3.16Å; D23-S26 PolarHBondContact O-OG 3.29Å; D23-S26 VanDerWaalsContact O-OG 3.05Å; D23-V27 VanDerWaalsContact O-CB 3.31Å; D23-V27 WeakPolarHBondContact O-CB 3.41Å; D23-V27 VanDerWaalsContact O-CG2 3.25Å; D23-V27 WeakPolarHBondContact O-CG2 3.31Å; D23-V27 PolarHBondContact O-N 3.21Å
24	Y	76.4	Confident	68.3	Low	176 Å²	176	108.4 Å²	108.4	69%	0.69	56%	0.562	S	S	*	*	H	α-helix	trans	-65.8	-37	176.6	-176.1	-93.4	0	0	0	111.5	G21 T22 T28	G21-Y24 PolarHBondContact O-N 3.21Å; T22-Y24 VanDerWaalsContact C-N 3.33Å; T22-Y24 PolarHBondContact O-N 2.65Å; Y24-T28 VanDerWaalsContact O-CB 3.22Å; Y24-T28 WeakPolarHBondContact O-CB 3.24Å; Y24-T28 PolarHBondContact O-N 3.18Å; Y24-T28 PolarHBondContact O-OG1 3.2Å
25	Y	80.7	Confident	71.1	Confident	175 Å²	175	106.7 Å²	106.7	69%	0.686	54%	0.541	S	S	*	.	H	α-helix	trans	-66.4	-49.9	177	-179.5	-97.1	0	0	0	111.9	G21 T22 D23 T28 A29	G21-Y25 PolarHBondContact O-N 3.23Å; T22-Y25 PolarHBondContact O-N 3.33Å; D23-Y25 VanDerWaalsContact C-N 3.31Å; D23-Y25 PolarHBondContact O-N 3.16Å; Y25-T28 PolarHBondContact O-N 3Å; Y25-A29 PolarHBondContact O-N 2.83Å
26	S	84.2	Confident	73.9	Confident	50 Å²	50	98.8 Å²	98.8	35%	0.35	51%	0.513	S	S	.	.	H	α-helix	trans	-62.5	-48.8	179.6	58.2	0	0	0	0	111.7	T22 D23 T28 A29 F30	T22-S26 PolarHBondContact O-N 2.72Å; D23-S26 PolarHBondContact O-OG 3.29Å; D23-S26 VanDerWaalsContact O-OG 3.05Å; S26-T28 VanDerWaalsContact C-N 3.28Å; S26-T28 PolarHBondContact O-N 3.27Å; S26-A29 WeakPolarHBondContact O-CB 3.06Å; S26-A29 PolarHBondContact O-N 2.85Å; S26-A29 VanDerWaalsContact O-N 3.11Å; S26-F30 WeakPolarHBondContact O-CD2 2.92Å; S26-F30 PolarHBondContact O-N 2.62Å
27	V	85.2	Confident	76.4	Confident	71 Å²	71	94.5 Å²	94.5	43%	0.43	48%	0.48	S	S	.	.	H	α-helix	trans	-60	-36.7	177.1	171.3	0	0	0	0	111.9	D23 K31	D23-V27 VanDerWaalsContact O-CB 3.31Å; D23-V27 WeakPolarHBondContact O-CB 3.41Å; D23-V27 VanDerWaalsContact O-CG2 3.25Å; D23-V27 WeakPolarHBondContact O-CG2 3.31Å; D23-V27 PolarHBondContact O-N 3.21Å; V27-K31 HydrophobicContact CG1-CD 4.08Å; V27-K31 WeakPolarHBondContact O-CB 2.97Å; V27-K31 VanDerWaalsContact O-CG 3.25Å; V27-K31 WeakPolarHBondContact O-CG 3.48Å; V27-K31 PolarHBondContact O-N 3.27Å
28	T	88.1	Confident	78.7	Confident	54 Å²	54	92.6 Å²	92.6	33%	0.331	47%	0.465	S	S	.	.	H	α-helix	trans	-71	-36.4	176.4	-59.4	0	0	0	0	112.2	Y24 Y25 S26 K32	Y24-T28 VanDerWaalsContact O-CB 3.22Å; Y24-T28 WeakPolarHBondContact O-CB 3.24Å; Y24-T28 PolarHBondContact O-N 3.18Å; Y24-T28 PolarHBondContact O-OG1 3.2Å; Y25-T28 PolarHBondContact O-N 3Å; S26-T28 VanDerWaalsContact C-N 3.28Å; S26-T28 PolarHBondContact O-N 3.27Å; T28-K32 PolarHBondContact O-N 3.5Å
29	A	90.5	Very high	81.2	Confident	34 Å²	34	92.3 Å²	92.3	28%	0.281	46%	0.462	S	S	.	.	H	α-helix	trans	-66.1	-49.5	174.9	0	0	0	0	0	111.6	Y25 S26 K31 K32 M33	Y25-A29 PolarHBondContact O-N 2.83Å; S26-A29 WeakPolarHBondContact O-CB 3.06Å; S26-A29 PolarHBondContact O-N 2.85Å; S26-A29 VanDerWaalsContact O-N 3.11Å; A29-K31 PolarHBondContact O-N 3.07Å; A29-K32 WeakPolarHBondContact O-CB 3.25Å; A29-K32 PolarHBondContact O-N 3.23Å; A29-K32 VanDerWaalsContact O-N 3.09Å; A29-M33 HydrophobicContact CB-CE 4.41Å; A29-M33 PolarHBondContact O-N 3.21Å
30	F	91.9	Very high	83.2	Confident	71 Å²	71	86.9 Å²	86.9	31%	0.311	44%	0.442	S	S	.	.	H	α-helix	trans	-61.3	-40.4	177.3	-88.5	-94	0	0	0	112.6	S26 K32 M33 N34 V60	S26-F30 WeakPolarHBondContact O-CD2 2.92Å; S26-F30 PolarHBondContact O-N 2.62Å; F30-K32 VanDerWaalsContact C-N 3.28Å; F30-K32 PolarHBondContact O-N 3.17Å; F30-M33 HydrophobicContact CB-CE 4.46Å; F30-M33 HydrophobicContact CD1-CE 4.11Å; F30-M33 HydrophobicContact CD2-CE 3.81Å; F30-M33 HydrophobicContact CE1-CE 4.31Å; F30-M33 HydrophobicContact CE2-CE 4.01Å; F30-M33 HydrophobicContact CG-CE 3.87Å; F30-M33 HydrophobicContact CZ-CE 4.26Å; F30-M33 PolarHBondContact O-N 3.33Å; F30-M33 VanDerWaalsContact O-N 3.11Å; F30-N34 PolarHBondContact O-N 2.77Å; F30-V60 HydrophobicContact CE1-CG1 3.86Å
31	K	91.5	Very high	85.5	Confident	144 Å²	144	81.1 Å²	81.1	63%	0.626	42%	0.415	S	S	*	.	H	α-helix	trans	-57.5	-37.5	172.4	-79.2	173	179.6	174.4	0	113.1	V27 A29 A35	V27-K31 HydrophobicContact CG1-CD 4.08Å; V27-K31 WeakPolarHBondContact O-CB 2.97Å; V27-K31 VanDerWaalsContact O-CG 3.25Å; V27-K31 WeakPolarHBondContact O-CG 3.48Å; V27-K31 PolarHBondContact O-N 3.27Å; A29-K31 PolarHBondContact O-N 3.07Å; K31-A35 PolarHBondContact O-N 2.82Å
32	K	93	Very high	87.4	Confident	139 Å²	139	85.5 Å²	85.5	60%	0.604	43%	0.428	S	S	*	.	H	α-helix	trans	-71.5	-40.5	172.8	-82.3	-166.1	170.3	-169.7	0	112.9	T28 A29 F30 N34 A35 F36	T28-K32 PolarHBondContact O-N 3.5Å; A29-K32 WeakPolarHBondContact O-CB 3.25Å; A29-K32 PolarHBondContact O-N 3.23Å; A29-K32 VanDerWaalsContact O-N 3.09Å; F30-K32 VanDerWaalsContact C-N 3.28Å; F30-K32 PolarHBondContact O-N 3.17Å; K32-N34 VanDerWaalsContact C-N 3.28Å; K32-N34 PolarHBondContact O-N 2.95Å; K32-A35 WeakPolarHBondContact O-CB 3.41Å; K32-A35 PolarHBondContact O-N 2.97Å; K32-A35 VanDerWaalsContact O-N 3.15Å; K32-F36 WeakPolarHBondContact O-CG 3.3Å; K32-F36 PolarHBondContact O-N 2.95Å
33	M	94.2	Very high	89.2	Confident	53 Å²	53	83.9 Å²	83.9	26%	0.261	42%	0.419	S	S	.	.	H	α-helix	trans	-63.4	-34.2	176.5	-67.4	-173.2	-75.8	0	0	112	A29 F30 F36 R37 V60 Y102	A29-M33 HydrophobicContact CB-CE 4.41Å; A29-M33 PolarHBondContact O-N 3.21Å; F30-M33 HydrophobicContact CB-CE 4.46Å; F30-M33 HydrophobicContact CD1-CE 4.11Å; F30-M33 HydrophobicContact CD2-CE 3.81Å; F30-M33 HydrophobicContact CE1-CE 4.31Å; F30-M33 HydrophobicContact CE2-CE 4.01Å; F30-M33 HydrophobicContact CG-CE 3.87Å; F30-M33 HydrophobicContact CZ-CE 4.26Å; F30-M33 PolarHBondContact O-N 3.33Å; F30-M33 VanDerWaalsContact O-N 3.11Å; M33-F36 PolarHBondContact O-N 3.06Å; M33-R37 PolarHBondContact O-N 3.18Å; M33-V60 HydrophobicContact SD-CG2 3.98Å; M33-Y102 HydrophobicContact CB-CD1 4.13Å; M33-Y102 HydrophobicContact CB-CE1 4.03Å
34	N	93.9	Very high	90.7	Very high	18 Å²	18	82.2 Å²	82.2	10%	0.096	41%	0.41	C	S	.	.	H	α-helix	trans	-67.2	-38.9	172.5	-154.3	-1	0	0	0	112.2	F30 K32 R37 K38 Y102 T103	F30-N34 PolarHBondContact O-N 2.77Å; K32-N34 VanDerWaalsContact C-N 3.28Å; K32-N34 PolarHBondContact O-N 2.95Å; N34-R37 PolarHBondContact O-N 3.47Å; N34-R37 PolarHBondContact OD1-NE 3.19Å; N34-R37 PolarHBondContact OD1-NH2 3.1Å; N34-K38 WeakPolarHBondContact O-CG 3.36Å; N34-K38 PolarHBondContact O-N 3.21Å; N34-K38 WeakPolarHBondContact OD1-CE 3.2Å; N34-Y102 HydrophobicContact CB-CD1 4.15Å; N34-Y102 HydrophobicContact CB-CG 4.32Å; N34-Y102 VanDerWaalsContact CG-CB 3.43Å; N34-T103 VanDerWaalsContact ND2-CG2 3.32Å; N34-T103 WeakPolarHBondContact ND2-CG2 3.3Å
35	A	94.4	Very high	91.5	Very high	41 Å²	41	73.9 Å²	73.9	34%	0.339	38%	0.378	S	S	.	.	H	α-helix	trans	-62.5	-46.5	173.8	0	0	0	0	0	111.4	K31 K32 R37 K38 E39	K31-A35 PolarHBondContact O-N 2.82Å; K32-A35 WeakPolarHBondContact O-CB 3.41Å; K32-A35 PolarHBondContact O-N 2.97Å; K32-A35 VanDerWaalsContact O-N 3.15Å; A35-R37 VanDerWaalsContact C-N 3.33Å; A35-R37 PolarHBondContact O-N 3.29Å; A35-K38 PolarHBondContact O-N 2.97Å; A35-K38 VanDerWaalsContact O-N 3.17Å; A35-E39 WeakPolarHBondContact O-CB 3.4Å; A35-E39 WeakPolarHBondContact O-CG 3.38Å; A35-E39 PolarHBondContact O-N 3.22Å
36	F	95.3	Very high	92.2	Very high	69 Å²	69	66.4 Å²	66.4	30%	0.303	35%	0.35	S	S	.	.	H	α-helix	trans	-57.7	-43.3	174.5	-62.3	-33.2	0	0	0	112.1	K32 M33 E39 G40 Q41 L42	K32-F36 WeakPolarHBondContact O-CG 3.3Å; K32-F36 PolarHBondContact O-N 2.95Å; M33-F36 PolarHBondContact O-N 3.06Å; F36-E39 CarbonylContact O-C 3.55Å; F36-E39 PolarHBondContact O-N 3.49Å; F36-G40 PolarHBondContact O-N 2.84Å; F36-Q41 HydrophobicContact CB-CB 4.18Å; F36-Q41 HydrophobicContact CD1-CB 4.44Å; F36-Q41 PolarHBondContact O-N 2.9Å; F36-L42 HydrophobicContact CD2-CD1 4.23Å; F36-L42 HydrophobicContact CE2-CD1 4.38Å
37	R	95	Very high	92.7	Very high	16 Å²	16	64 Å²	64	6%	0.06	33%	0.333	C	S	.	.	H	α-helix	trans	-57.6	-51.4	173.2	-174.3	-175.4	58.1	115.6	-4	112	M33 N34 A35 E39 G40 L55 D95 D99 Y102	M33-R37 PolarHBondContact O-N 3.18Å; N34-R37 PolarHBondContact O-N 3.47Å; N34-R37 PolarHBondContact OD1-NE 3.19Å; N34-R37 PolarHBondContact OD1-NH2 3.1Å; A35-R37 VanDerWaalsContact C-N 3.33Å; A35-R37 PolarHBondContact O-N 3.29Å; R37-E39 PolarHBondContact O-N 2.89Å; R37-G40 PolarHBondContact O-N 3.32Å; R37-L55 WeakPolarHBondContact CD-O 3.31Å; R37-L55 WeakPolarHBondContact CG-O 3.4Å; R37-D95 IonicContact NH1-OD1 3.25Å; R37-D99 IonicContact CZ-OD1 3.16Å; R37-D99 IonicContact NH2-OD1 2.79Å; R37-D99 PolarHBondContact NH2-OD1 2.73Å; R37-Y102 HydrophobicContact CB-CE1 4.3Å
38	K	92.7	Very high	93	Very high	126 Å²	126	63 Å²	63	55%	0.548	32%	0.323	S	S	.	.	H	α-helix	trans	-70	-16.7	-177.7	-64.2	-170.5	-175.4	-164.4	0	113.1	N34 A35 D99	N34-K38 WeakPolarHBondContact O-CG 3.36Å; N34-K38 PolarHBondContact O-N 3.21Å; N34-K38 WeakPolarHBondContact OD1-CE 3.2Å; A35-K38 PolarHBondContact O-N 2.97Å; A35-K38 VanDerWaalsContact O-N 3.17Å; K38-D99 WeakPolarHBondContact CE-OD1 3.43Å; K38-D99 VanDerWaalsContact NZ-CG 3.28Å; K38-D99 IonicContact NZ-OD1 3.23Å; K38-D99 PolarHBondContact NZ-OD1 2.89Å; K38-D99 IonicContact NZ-OD2 2.78Å; K38-D99 PolarHBondContact NZ-OD2 2.61Å
39	E	94.2	Very high	93.3	Very high	128 Å²	128	60.5 Å²	60.5	60%	0.598	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.1	0.5	169.8	-68.3	176.3	-151.8	0	0	113.8	A35 F36 R37 Q41	A35-E39 WeakPolarHBondContact O-CB 3.4Å; A35-E39 WeakPolarHBondContact O-CG 3.38Å; A35-E39 PolarHBondContact O-N 3.22Å; F36-E39 CarbonylContact O-C 3.55Å; F36-E39 PolarHBondContact O-N 3.49Å; R37-E39 PolarHBondContact O-N 2.89Å; E39-Q41 HydrophobicContact CB-CG 4.19Å; E39-Q41 PolarHBondContact O-N 2.81Å; E39-Q41 PolarHBondContact OE2-NE2 2.9Å
40	G	92.1	Very high	93.1	Very high	38 Å²	38	64.8 Å²	64.8	39%	0.392	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.2	17.4	-177.8	0	0	0	0	0	115	F36 R37	F36-G40 PolarHBondContact O-N 2.84Å; R37-G40 PolarHBondContact O-N 3.32Å
41	Q	92.2	Very high	92.8	Very high	83 Å²	83	66.8 Å²	66.8	39%	0.388	35%	0.345	S	S	.	.			trans	-88.5	143.5	-179	-67.7	170.7	28.9	0	0	111	F36 E39 C43 H57	F36-Q41 HydrophobicContact CB-CB 4.18Å; F36-Q41 HydrophobicContact CD1-CB 4.44Å; F36-Q41 PolarHBondContact O-N 2.9Å; E39-Q41 HydrophobicContact CB-CG 4.19Å; E39-Q41 PolarHBondContact O-N 2.81Å; E39-Q41 PolarHBondContact OE2-NE2 2.9Å; Q41-C43 PolarHBondContact O-N 2.81Å; Q41-C43 PolarHBondContact O-SG 3.39Å; Q41-C43 VanDerWaalsContact O-SG 3.34Å; Q41-H57 PolarHBondContact O-CE1 3.39Å; Q41-H57 PolarHBondContact O-NE2 3.2Å
42	L	92.4	Very high	92.9	Very high	133 Å²	133	65.1 Å²	65.1	70%	0.696	33%	0.334	S	S	*	.	S	Bend	trans	57.1	8	173.9	-54.2	177.1	0	0	0	116.1	F36 H57	F36-L42 HydrophobicContact CD2-CD1 4.23Å; F36-L42 HydrophobicContact CE2-CD1 4.38Å; L42-H57 PolarHBondContact O-CD2 3.27Å; L42-H57 VanDerWaalsContact O-CD2 3.31Å
43	C	93.1	Very high	93	Very high	31 Å²	31	64 Å²	64	21%	0.209	33%	0.331	C	S	.	.			trans	-72.2	130.6	176.2	-61.8	0	0	0	0	110.4	Q41 L55 A56 H57	Q41-C43 PolarHBondContact O-N 2.81Å; Q41-C43 PolarHBondContact O-SG 3.39Å; Q41-C43 VanDerWaalsContact O-SG 3.34Å; C43-L55 HydrophobicContact CB-CB 4.04Å; C43-L55 HydrophobicContact CB-CD2 4.13Å; C43-A56 VanDerWaalsContact CA-O 3.25Å; C43-A56 WeakPolarHBondContact CA-O 3.36Å; C43-A56 VanDerWaalsContact CB-O 3.25Å; C43-A56 WeakPolarHBondContact CB-O 3.05Å; C43-H57 PolarHBondContact SG-CE1 3.29Å
44	D	93.5	Very high	93.1	Very high	76 Å²	76	62.1 Å²	62.1	41%	0.406	32%	0.322	S	S	.	.			trans	-121.1	6.6	-174.4	62.9	-13.2	0	0	0	112.9	A56 H57 R58	D44-A56 PolarHBondContact N-O 3.07Å; D44-H57 VanDerWaalsContact OD1-CA 3.25Å; D44-H57 WeakPolarHBondContact OD1-CA 3.41Å; D44-R58 PolarHBondContact O-NE 2.8Å; D44-R58 WeakPolarHBondContact OD1-CG 3.27Å; D44-R58 PolarHBondContact OD1-N 2.87Å
45	V	94	Very high	93.2	Very high	2 Å²	2	65.2 Å²	65.2	1%	0.012	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	147.3	168.3	65.6	0	0	0	0	111.3	I47 A56 R58 L61 F72 V84	V45-I47 HydrophobicContact CG1-CD1 4.42Å; V45-I47 HydrophobicContact CG2-CD1 4.06Å; V45-A56 HydrophobicContact CG1-CB 4.11Å; V45-A56 PolarHBondContact N-O 2.56Å; V45-A56 PolarHBondContact O-N 3.35Å; V45-R58 HydrophobicContact CB-CG 3.7Å; V45-R58 HydrophobicContact CG1-CG 3.65Å; V45-L61 HydrophobicContact CG1-CD1 4Å; V45-F72 HydrophobicContact CG1-CZ 4.37Å; V45-F72 HydrophobicContact CG2-CE1 4.37Å; V45-F72 HydrophobicContact CG2-CZ 4.3Å; V45-V84 HydrophobicContact CG2-CG2 4.08Å
46	V	94.8	Very high	93.2	Very high	17 Å²	17	63.2 Å²	63.2	10%	0.103	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	117.8	165.7	179.3	0	0	0	0	107.7	E53 F54 L55 L82 E83 V84	V46-E53 HydrophobicContact CG1-CB 3.85Å; V46-E53 HydrophobicContact CG1-CG 4.07Å; V46-F54 WeakPolarHBondContact CA-O 3.47Å; V46-L55 HydrophobicContact CG2-CD2 3.89Å; V46-L82 HydrophobicContact CG2-CD2 4.18Å; V46-L82 PolarHBondContact N-O 2.63Å; V46-E83 HydrophobicContact CB-CG 3.99Å; V46-E83 HydrophobicContact CG1-CG 4.29Å; V46-E83 CarbonylContact O-C 3.43Å; V46-E83 WeakPolarHBondContact O-CA 3.41Å; V46-V84 PolarHBondContact O-N 2.77Å
47	I	93.9	Very high	93.2	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	129.7	167.5	-55	-58.2	0	0	0	108.1	V45 F54 A56 L61 F68 F72 V84 L86 M94	V45-I47 HydrophobicContact CG1-CD1 4.42Å; V45-I47 HydrophobicContact CG2-CD1 4.06Å; I47-F54 HydrophobicContact CB-CB 4.46Å; I47-F54 PolarHBondContact N-O 3.2Å; I47-F54 PolarHBondContact O-N 2.79Å; I47-A56 HydrophobicContact CG1-CB 4.44Å; I47-L61 HydrophobicContact CD1-CD1 4.07Å; I47-L61 HydrophobicContact CG1-CD1 4.11Å; I47-F68 HydrophobicContact CD1-CE1 4.37Å; I47-F72 HydrophobicContact CD1-CZ 4.47Å; I47-V84 HydrophobicContact CD1-CB 4.2Å; I47-L86 HydrophobicContact CG2-CD1 3.52Å; I47-L86 HydrophobicContact CG2-CG 3.96Å; I47-M94 HydrophobicContact CG2-CE 3.89Å; I47-M94 HydrophobicContact CG2-CG 4.32Å; I47-M94 HydrophobicContact CG2-SD 3.92Å
48	K	93.4	Very high	93.1	Very high	51 Å²	51	61.7 Å²	61.7	22%	0.222	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	115	-179.5	-164	-178.8	-159	110.4	0	108.7	E53 E83 V84 E85 L86	K48-E53 HydrophobicContact CG-CG 4.01Å; K48-E53 IonicContact NZ-OE1 2.69Å; K48-E53 PolarHBondContact NZ-OE1 3.38Å; K48-E83 IonicContact NZ-OE2 2.65Å; K48-E83 PolarHBondContact NZ-OE2 3.24Å; K48-V84 PolarHBondContact N-O 3.1Å; K48-E85 WeakPolarHBondContact O-CA 3.36Å; K48-L86 PolarHBondContact O-N 3.27Å
49	A	92.6	Very high	93.2	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	113	173.7	0	0	0	0	0	107.5	S51 R52 F54 M94	A49-S51 PolarHBondContact O-N 3.2Å; A49-R52 PolarHBondContact N-O 3.16Å; A49-R52 PolarHBondContact O-N 2.84Å; A49-F54 HydrophobicContact CB-CE2 4.12Å; A49-M94 HydrophobicContact CB-CB 3.82Å; A49-M94 HydrophobicContact CB-CG 3.95Å
50	E	87.5	Confident	93.2	Very high	125 Å²	125	55 Å²	55	58%	0.584	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.9	-109.3	-171.7	-56.6	-179.5	170.5	0	0	113	P91	E50-P91 HydrophobicContact CB-CG 4.37Å
51	S	85.7	Confident	93.3	Very high	113 Å²	113	53.1 Å²	53.1	79%	0.79	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96	0.5	-177.8	61.5	0	0	0	0	114.2	A49	A49-S51 PolarHBondContact O-N 3.2Å
52	R	94	Very high	93.4	Very high	108 Å²	108	50 Å²	50	41%	0.408	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	134.6	-170.4	-163.7	168	175	-169.1	-11.5	111.9	A49 F54 P91 E92 D95	A49-R52 PolarHBondContact N-O 3.16Å; A49-R52 PolarHBondContact O-N 2.84Å; R52-F54 HydrophobicContact CB-CE2 3.88Å; R52-F54 HydrophobicContact CB-CZ 4.25Å; R52-F54 HydrophobicContact CG-CE2 3.79Å; R52-F54 HydrophobicContact CG-CZ 3.77Å; R52-P91 HydrophobicContact CB-CB 3.95Å; R52-P91 HydrophobicContact CB-CG 4.24Å; R52-P91 HydrophobicContact CG-CB 4.49Å; R52-E92 IonicContact NH1-OE1 3.15Å; R52-D95 IonicContact NH2-OD2 3.66Å
53	E	94.5	Very high	93.5	Very high	116 Å²	116	47.5 Å²	47.5	54%	0.542	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	135	-175.7	-72.2	164.5	-169.8	0	0	110.7	V46 K48	V46-E53 HydrophobicContact CG1-CB 3.85Å; V46-E53 HydrophobicContact CG1-CG 4.07Å; K48-E53 HydrophobicContact CG-CG 4.01Å; K48-E53 IonicContact NZ-OE1 2.69Å; K48-E53 PolarHBondContact NZ-OE1 3.38Å
54	F	95.7	Very high	93.5	Very high	14 Å²	14	47.9 Å²	47.9	6%	0.061	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	113	-174.5	-62.8	-91.7	0	0	0	110.1	V46 I47 A49 R52 P91 M94 D95 L98	V46-F54 WeakPolarHBondContact CA-O 3.47Å; I47-F54 HydrophobicContact CB-CB 4.46Å; I47-F54 PolarHBondContact N-O 3.2Å; I47-F54 PolarHBondContact O-N 2.79Å; A49-F54 HydrophobicContact CB-CE2 4.12Å; R52-F54 HydrophobicContact CB-CE2 3.88Å; R52-F54 HydrophobicContact CB-CZ 4.25Å; R52-F54 HydrophobicContact CG-CE2 3.79Å; R52-F54 HydrophobicContact CG-CZ 3.77Å; F54-P91 HydrophobicContact CE2-CB 4.5Å; F54-P91 HydrophobicContact CZ-CB 4.31Å; F54-P91 VanDerWaalsContact CZ-O 3.3Å; F54-P91 WeakPolarHBondContact CZ-O 3.25Å; F54-M94 HydrophobicContact CD2-CG 4.04Å; F54-M94 HydrophobicContact CE2-CB 4.09Å; F54-M94 HydrophobicContact CE2-CG 4.1Å; F54-M94 HydrophobicContact CZ-CB 4.31Å; F54-D95 HydrophobicContact CE1-CB 3.69Å; F54-D95 HydrophobicContact CZ-CB 4.25Å; F54-L98 HydrophobicContact CB-CD1 3.52Å; F54-L98 HydrophobicContact CD1-CD1 3.76Å; F54-L98 HydrophobicContact CG-CD1 3.77Å
55	L	95.5	Very high	93.5	Very high	82 Å²	82	44.5 Å²	44.5	43%	0.429	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	135.3	171.4	-70.9	163.2	0	0	0	109.9	R37 C43 V46	R37-L55 WeakPolarHBondContact CD-O 3.31Å; R37-L55 WeakPolarHBondContact CG-O 3.4Å; C43-L55 HydrophobicContact CB-CB 4.04Å; C43-L55 HydrophobicContact CB-CD2 4.13Å; V46-L55 HydrophobicContact CG2-CD2 3.89Å
56	A	95.9	Very high	93.5	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	174.1	178.7	0	0	0	0	0	111.8	C43 D44 V45 I47 L61 L98	C43-A56 VanDerWaalsContact CA-O 3.25Å; C43-A56 WeakPolarHBondContact CA-O 3.36Å; C43-A56 VanDerWaalsContact CB-O 3.25Å; C43-A56 WeakPolarHBondContact CB-O 3.05Å; D44-A56 PolarHBondContact N-O 3.07Å; V45-A56 HydrophobicContact CG1-CB 4.11Å; V45-A56 PolarHBondContact N-O 2.56Å; V45-A56 PolarHBondContact O-N 3.35Å; I47-A56 HydrophobicContact CG1-CB 4.44Å; A56-L61 HydrophobicContact CB-CD1 3.8Å; A56-L61 HydrophobicContact CB-CG 4.34Å; A56-L98 HydrophobicContact CB-CD2 4.31Å
57	H	95.3	Very high	93.4	Very high	17 Å²	17	52.1 Å²	52.1	8%	0.079	28%	0.281	C	S	.	.			trans	-113.7	120.1	175.8	-56.9	58.8	0	0	0	109.3	Q41 L42 C43 D44 V59 V60 L61 Y102	Q41-H57 PolarHBondContact O-CE1 3.39Å; Q41-H57 PolarHBondContact O-NE2 3.2Å; L42-H57 PolarHBondContact O-CD2 3.27Å; L42-H57 VanDerWaalsContact O-CD2 3.31Å; C43-H57 PolarHBondContact SG-CE1 3.29Å; D44-H57 VanDerWaalsContact OD1-CA 3.25Å; D44-H57 WeakPolarHBondContact OD1-CA 3.41Å; H57-V59 VanDerWaalsContact C-N 3.31Å; H57-V59 PolarHBondContact O-N 2.97Å; H57-V60 HydrophobicContact CB-CB 4.23Å; H57-V60 HydrophobicContact CB-CG2 3.82Å; H57-V60 PolarHBondContact O-N 3.25Å; H57-L61 PolarHBondContact O-N 2.82Å; H57-L61 VanDerWaalsContact O-N 3.07Å; H57-Y102 VanDerWaalsContact CB-OH 3.3Å; H57-Y102 WeakPolarHBondContact CB-OH 3.48Å; H57-Y102 PolarHBondContact N-OH 3.42Å; H57-Y102 AromaticContact ND1-CZ 3.95Å; H57-Y102 PolarHBondContact ND1-OH 3.05Å
58	R	93.2	Very high	93.4	Very high	36 Å²	36	52.1 Å²	52.1	14%	0.136	28%	0.281	C	S	.	.	H	α-helix	trans	-51.7	-46.8	-178	-71.3	167.9	154.3	-100.1	-5.8	112.3	D44 V45 V60 L61 A62 F72 E78 S79 Q81	D44-R58 PolarHBondContact O-NE 2.8Å; D44-R58 WeakPolarHBondContact OD1-CG 3.27Å; D44-R58 PolarHBondContact OD1-N 2.87Å; V45-R58 HydrophobicContact CB-CG 3.7Å; V45-R58 HydrophobicContact CG1-CG 3.65Å; R58-V60 VanDerWaalsContact C-N 3.28Å; R58-V60 PolarHBondContact O-N 3.28Å; R58-L61 PolarHBondContact O-N 3.41Å; R58-A62 WeakPolarHBondContact O-CB 3.36Å; R58-A62 PolarHBondContact O-N 3.3Å; R58-F72 HydrophobicContact CB-CD2 3.97Å; R58-F72 HydrophobicContact CB-CE2 4.25Å; R58-F72 HydrophobicContact CB-CG 4.31Å; R58-F72 HydrophobicContact CG-CD1 4.34Å; R58-F72 HydrophobicContact CG-CD2 4.17Å; R58-F72 HydrophobicContact CG-CE1 4.33Å; R58-F72 HydrophobicContact CG-CE2 4.17Å; R58-F72 HydrophobicContact CG-CG 4.27Å; R58-F72 HydrophobicContact CG-CZ 4.25Å; R58-F72 VanDerWaalsContact NH1-CD1 3.32Å; R58-E78 PolarHBondContact NH2-O 3.45Å; R58-S79 PolarHBondContact NH1-O 2.73Å; R58-S79 PolarHBondContact NH2-O 2.75Å; R58-Q81 PolarHBondContact NH2-O 2.8Å
59	V	93.2	Very high	93.4	Very high	105 Å²	105	53 Å²	53	64%	0.636	29%	0.289	S	S	*	.	H	α-helix	trans	-63	-30.8	179.6	67.4	0	0	0	0	113.3	H57 A63	H57-V59 VanDerWaalsContact C-N 3.31Å; H57-V59 PolarHBondContact O-N 2.97Å; V59-A63 WeakPolarHBondContact O-CB 3.38Å; V59-A63 PolarHBondContact O-N 2.91Å; V59-A63 VanDerWaalsContact O-N 3.13Å
60	V	95.2	Very high	93.3	Very high	7 Å²	7	55.8 Å²	55.8	4%	0.042	31%	0.311	C	S	.	.	H	α-helix	trans	-81.7	-37	179.4	-173	0	0	0	0	110.7	F30 M33 H57 R58 S64 V101 Y102	F30-V60 HydrophobicContact CE1-CG1 3.86Å; M33-V60 HydrophobicContact SD-CG2 3.98Å; H57-V60 HydrophobicContact CB-CB 4.23Å; H57-V60 HydrophobicContact CB-CG2 3.82Å; H57-V60 PolarHBondContact O-N 3.25Å; R58-V60 VanDerWaalsContact C-N 3.28Å; R58-V60 PolarHBondContact O-N 3.28Å; V60-S64 WeakPolarHBondContact O-CB 3.46Å; V60-S64 PolarHBondContact O-N 2.8Å; V60-S64 PolarHBondContact O-OG 3.01Å; V60-V101 HydrophobicContact CG1-CG1 3.86Å; V60-Y102 HydrophobicContact CB-CE1 4.2Å; V60-Y102 HydrophobicContact CG1-CD1 4.2Å; V60-Y102 HydrophobicContact CG1-CE1 3.82Å; V60-Y102 HydrophobicContact CG1-CE2 4.29Å; V60-Y102 HydrophobicContact CG2-CE1 4.22Å
61	L	94.8	Very high	93.4	Very high	0 Å²	0	51 Å²	51	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-62.6	-52.9	172	-71.8	171	0	0	0	111.3	V45 I47 A56 H57 R58 A63 S64 S65 F68 F72 L98 V101	V45-L61 HydrophobicContact CG1-CD1 4Å; I47-L61 HydrophobicContact CD1-CD1 4.07Å; I47-L61 HydrophobicContact CG1-CD1 4.11Å; A56-L61 HydrophobicContact CB-CD1 3.8Å; A56-L61 HydrophobicContact CB-CG 4.34Å; H57-L61 PolarHBondContact O-N 2.82Å; H57-L61 VanDerWaalsContact O-N 3.07Å; R58-L61 PolarHBondContact O-N 3.41Å; L61-A63 PolarHBondContact O-N 2.87Å; L61-S64 CarbonylContact O-C 3.52Å; L61-S64 PolarHBondContact O-N 3.39Å; L61-S65 PolarHBondContact O-N 3.31Å; L61-S65 VanDerWaalsContact O-N 3.15Å; L61-F68 HydrophobicContact CB-CB 3.89Å; L61-F68 HydrophobicContact CB-CD2 4.02Å; L61-F68 HydrophobicContact CB-CG 3.94Å; L61-F68 HydrophobicContact CD2-CD2 3.99Å; L61-F68 HydrophobicContact CD2-CE2 3.98Å; L61-F72 HydrophobicContact CB-CE2 3.95Å; L61-F72 HydrophobicContact CD1-CE2 3.89Å; L61-F72 HydrophobicContact CD1-CZ 4.2Å; L61-L98 HydrophobicContact CD2-CD2 3.84Å; L61-V101 HydrophobicContact CD2-CG1 4.38Å
62	A	93.6	Very high	93.6	Very high	16 Å²	16	46.7 Å²	46.7	13%	0.132	26%	0.256	C	S	.	.	H	α-helix	trans	-59.3	-45.1	178.9	0	0	0	0	0	112.4	R58 S64 S65 D69 F72	R58-A62 WeakPolarHBondContact O-CB 3.36Å; R58-A62 PolarHBondContact O-N 3.3Å; A62-S64 PolarHBondContact O-N 3.38Å; A62-S65 PolarHBondContact O-N 2.97Å; A62-D69 HydrophobicContact CB-CB 3.94Å; A62-F72 HydrophobicContact CB-CD2 4.49Å
63	A	93.5	Very high	93.3	Very high	82 Å²	82	45.6 Å²	45.6	68%	0.678	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-2.6	176.9	0	0	0	0	0	114.7	V59 L61	V59-A63 WeakPolarHBondContact O-CB 3.38Å; V59-A63 PolarHBondContact O-N 2.91Å; V59-A63 VanDerWaalsContact O-N 3.13Å; L61-A63 PolarHBondContact O-N 2.87Å
64	S	93	Very high	92.4	Very high	38 Å²	38	42.2 Å²	42.2	27%	0.266	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.8	1.6	-178	-48.4	0	0	0	0	113.7	V60 L61 A62	V60-S64 WeakPolarHBondContact O-CB 3.46Å; V60-S64 PolarHBondContact O-N 2.8Å; V60-S64 PolarHBondContact O-OG 3.01Å; L61-S64 CarbonylContact O-C 3.52Å; L61-S64 PolarHBondContact O-N 3.39Å; A62-S64 PolarHBondContact O-N 3.38Å
65	S	95.3	Very high	91.4	Very high	5 Å²	5	45.5 Å²	45.5	4%	0.035	29%	0.292	C	S	.	.			trans	-166.6	117.5	-171.4	162.3	0	0	0	0	110.7	L61 A62 Y67 F68 D69 V123	L61-S65 PolarHBondContact O-N 3.31Å; L61-S65 VanDerWaalsContact O-N 3.15Å; A62-S65 PolarHBondContact O-N 2.97Å; S65-Y67 PolarHBondContact O-N 3.21Å; S65-Y67 PolarHBondContact OG-N 3.17Å; S65-F68 PolarHBondContact O-N 2.79Å; S65-F68 WeakPolarHBondContact OG-CD2 3.31Å; S65-F68 PolarHBondContact OG-N 2.75Å; S65-D69 PolarHBondContact O-N 2.94Å; S65-V123 WeakPolarHBondContact CB-O 3.16Å; S65-V123 PolarHBondContact OG-O 3.13Å
66	D	92.8	Very high	90.3	Very high	114 Å²	114	47.3 Å²	47.3	61%	0.61	30%	0.3	S	S	*	.	H	α-helix	trans	-63.2	-26.7	178	-61.7	-23.2	0	0	0	112	A70	D66-A70 VanDerWaalsContact O-CB 3.25Å; D66-A70 WeakPolarHBondContact O-CB 3.45Å; D66-A70 PolarHBondContact O-N 3.47Å
67	Y	93.4	Very high	89.1	Confident	65 Å²	65	50.1 Å²	50.1	26%	0.255	32%	0.323	S	S	.	.	H	α-helix	trans	-64.5	-45.8	171.7	175.5	-95.4	0	0	0	112	S65 M71 L86 V123	S65-Y67 PolarHBondContact O-N 3.21Å; S65-Y67 PolarHBondContact OG-N 3.17Å; Y67-M71 HydrophobicContact CD1-CE 4.45Å; Y67-M71 HydrophobicContact CE1-CE 3.51Å; Y67-M71 WeakPolarHBondContact O-CB 3.33Å; Y67-M71 PolarHBondContact O-N 3.04Å; Y67-M71 WeakPolarHBondContact OH-CE 3.36Å; Y67-L86 HydrophobicContact CE1-CD2 4.1Å; Y67-V123 HydrophobicContact CD1-CB 4.15Å; Y67-V123 HydrophobicContact CD1-CG1 4.07Å; Y67-V123 HydrophobicContact CE1-CG1 4.23Å
68	F	93.2	Very high	88	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-74.7	-31	177.2	-72.1	-56.6	0	0	0	112.7	I47 L61 S65 M71 F72 L86 V123 M125	I47-F68 HydrophobicContact CD1-CE1 4.37Å; L61-F68 HydrophobicContact CB-CB 3.89Å; L61-F68 HydrophobicContact CB-CD2 4.02Å; L61-F68 HydrophobicContact CB-CG 3.94Å; L61-F68 HydrophobicContact CD2-CD2 3.99Å; L61-F68 HydrophobicContact CD2-CE2 3.98Å; S65-F68 PolarHBondContact O-N 2.79Å; S65-F68 WeakPolarHBondContact OG-CD2 3.31Å; S65-F68 PolarHBondContact OG-N 2.75Å; F68-M71 HydrophobicContact CD1-SD 4.16Å; F68-M71 HydrophobicContact CE1-SD 4.44Å; F68-M71 PolarHBondContact O-N 3.04Å; F68-F72 HydrophobicContact CB-CD2 4.21Å; F68-F72 HydrophobicContact CB-CE2 3.97Å; F68-F72 AromaticContact CD1-CE2 3.96Å; F68-F72 HydrophobicContact CD1-CE2 3.96Å; F68-F72 HydrophobicContact CD1-CZ 4.09Å; F68-F72 HydrophobicContact CG-CE2 4.27Å; F68-F72 WeakPolarHBondContact O-CB 3.36Å; F68-F72 WeakPolarHBondContact O-CD2 3.49Å; F68-F72 WeakPolarHBondContact O-CG 3.13Å; F68-F72 PolarHBondContact O-N 3.18Å; F68-L86 HydrophobicContact CE1-CD1 4Å; F68-L86 HydrophobicContact CE1-CD2 4.5Å; F68-L86 HydrophobicContact CZ-CD1 3.74Å; F68-V123 HydrophobicContact CE2-CB 4.07Å; F68-V123 HydrophobicContact CE2-CG1 4.16Å; F68-V123 HydrophobicContact CZ-CB 4.45Å; F68-V123 HydrophobicContact CZ-CG1 4.06Å; F68-M125 HydrophobicContact CD2-CE 4.16Å; F68-M125 HydrophobicContact CE2-CE 3.87Å
69	D	92.9	Very high	87.3	Confident	71 Å²	71	52.9 Å²	52.9	38%	0.38	34%	0.342	S	S	.	.	H	α-helix	trans	-64.5	-49.7	170.1	-173.9	44.8	0	0	0	110.8	A62 S65 M71 F72 S73	A62-D69 HydrophobicContact CB-CB 3.94Å; S65-D69 PolarHBondContact O-N 2.94Å; D69-M71 VanDerWaalsContact C-N 3.26Å; D69-M71 PolarHBondContact O-N 2.97Å; D69-F72 PolarHBondContact O-N 3.34Å; D69-S73 WeakPolarHBondContact O-CA 3.36Å; D69-S73 WeakPolarHBondContact O-CB 3.17Å; D69-S73 PolarHBondContact O-N 2.62Å; D69-S73 PolarHBondContact O-OG 2.9Å; D69-S73 WeakPolarHBondContact OD1-CB 3.25Å; D69-S73 PolarHBondContact OD1-OG 3.46Å
70	A	91.2	Very high	86.5	Confident	57 Å²	57	52.1 Å²	52.1	47%	0.471	35%	0.346	S	S	.	.	H	α-helix	trans	-55.8	-40.5	174.9	0	0	0	0	0	112.3	D66 S74	D66-A70 VanDerWaalsContact O-CB 3.25Å; D66-A70 WeakPolarHBondContact O-CB 3.45Å; D66-A70 PolarHBondContact O-N 3.47Å; A70-S74 WeakPolarHBondContact O-CB 3.43Å; A70-S74 PolarHBondContact O-N 3.03Å; A70-S74 PolarHBondContact O-OG 2.76Å
71	M	90	Very high	85.9	Confident	26 Å²	26	55.7 Å²	55.7	13%	0.128	36%	0.362	C	S	.	.	H	α-helix	trans	-67.3	-40.4	178	-178.2	-177.8	-74.4	0	0	113.9	Y67 F68 D69 E78 V84 L86	Y67-M71 HydrophobicContact CD1-CE 4.45Å; Y67-M71 HydrophobicContact CE1-CE 3.51Å; Y67-M71 WeakPolarHBondContact O-CB 3.33Å; Y67-M71 PolarHBondContact O-N 3.04Å; Y67-M71 WeakPolarHBondContact OH-CE 3.36Å; F68-M71 HydrophobicContact CD1-SD 4.16Å; F68-M71 HydrophobicContact CE1-SD 4.44Å; F68-M71 PolarHBondContact O-N 3.04Å; D69-M71 VanDerWaalsContact C-N 3.26Å; D69-M71 PolarHBondContact O-N 2.97Å; M71-E78 HydrophobicContact CG-CB 3.85Å; M71-V84 HydrophobicContact CE-CG1 4.14Å; M71-V84 HydrophobicContact SD-CG1 3.7Å; M71-V84 HydrophobicContact SD-CG2 4.47Å; M71-L86 HydrophobicContact CE-CD2 4.29Å
72	F	90.5	Very high	85.5	Confident	22 Å²	22	61.2 Å²	61.2	10%	0.096	39%	0.392	C	S	.	.	H	α-helix	trans	-95.6	-24.3	-174.1	-59.7	-39.6	0	0	0	114.2	V45 I47 R58 L61 A62 F68 D69 V84	V45-F72 HydrophobicContact CG1-CZ 4.37Å; V45-F72 HydrophobicContact CG2-CE1 4.37Å; V45-F72 HydrophobicContact CG2-CZ 4.3Å; I47-F72 HydrophobicContact CD1-CZ 4.47Å; R58-F72 HydrophobicContact CB-CD2 3.97Å; R58-F72 HydrophobicContact CB-CE2 4.25Å; R58-F72 HydrophobicContact CB-CG 4.31Å; R58-F72 HydrophobicContact CG-CD1 4.34Å; R58-F72 HydrophobicContact CG-CD2 4.17Å; R58-F72 HydrophobicContact CG-CE1 4.33Å; R58-F72 HydrophobicContact CG-CE2 4.17Å; R58-F72 HydrophobicContact CG-CG 4.27Å; R58-F72 HydrophobicContact CG-CZ 4.25Å; R58-F72 VanDerWaalsContact NH1-CD1 3.32Å; L61-F72 HydrophobicContact CB-CE2 3.95Å; L61-F72 HydrophobicContact CD1-CE2 3.89Å; L61-F72 HydrophobicContact CD1-CZ 4.2Å; A62-F72 HydrophobicContact CB-CD2 4.49Å; F68-F72 HydrophobicContact CB-CD2 4.21Å; F68-F72 HydrophobicContact CB-CE2 3.97Å; F68-F72 AromaticContact CD1-CE2 3.96Å; F68-F72 HydrophobicContact CD1-CE2 3.96Å; F68-F72 HydrophobicContact CD1-CZ 4.09Å; F68-F72 HydrophobicContact CG-CE2 4.27Å; F68-F72 WeakPolarHBondContact O-CB 3.36Å; F68-F72 WeakPolarHBondContact O-CD2 3.49Å; F68-F72 WeakPolarHBondContact O-CG 3.13Å; F68-F72 PolarHBondContact O-N 3.18Å; D69-F72 PolarHBondContact O-N 3.34Å; F72-V84 HydrophobicContact CE1-CG2 4.34Å
73	S	87.6	Confident	85.3	Confident	84 Å²	84	65.4 Å²	65.4	59%	0.587	41%	0.408	S	S	*	.	H	α-helix	trans	-98.6	-19.5	-178.7	-61.6	0	0	0	0	113.5	D69	D69-S73 WeakPolarHBondContact O-CA 3.36Å; D69-S73 WeakPolarHBondContact O-CB 3.17Å; D69-S73 PolarHBondContact O-N 2.62Å; D69-S73 PolarHBondContact O-OG 2.9Å; D69-S73 WeakPolarHBondContact OD1-CB 3.25Å; D69-S73 PolarHBondContact OD1-OG 3.46Å
74	S	75.2	Confident	85.2	Confident	46 Å²	46	61.9 Å²	61.9	32%	0.322	38%	0.378	S	S	.	.	S	Bend	trans	-78.5	144.4	165.2	74.1	0	0	0	0	110.7	A70 M76 S79	A70-S74 WeakPolarHBondContact O-CB 3.43Å; A70-S74 PolarHBondContact O-N 3.03Å; A70-S74 PolarHBondContact O-OG 2.76Å; S74-M76 PolarHBondContact O-N 3.11Å; S74-M76 VanDerWaalsContact OG-CG 3.3Å; S74-M76 WeakPolarHBondContact OG-CG 3.43Å; S74-S79 WeakPolarHBondContact O-CB 3.3Å
75	G	74.6	Confident	85	Confident	83 Å²	83	65.2 Å²	65.2	86%	0.856	39%	0.39	S	S	*	.	S	Bend	trans	-73.7	31.1	-177.1	0	0	0	0	0	115.6
76	M	71.3	Confident	84.8	Confident	120 Å²	120	65.4 Å²	65.4	59%	0.591	39%	0.39	S	S	*	.	S	Bend	trans	-74.5	173.1	177.7	-61.7	-66.6	-166.3	0	0	111.4	S74 E78 S79	S74-M76 PolarHBondContact O-N 3.11Å; S74-M76 VanDerWaalsContact OG-CG 3.3Å; S74-M76 WeakPolarHBondContact OG-CG 3.43Å; M76-E78 VanDerWaalsContact C-N 3.27Å; M76-E78 VanDerWaalsContact CB-OE2 3.3Å; M76-E78 WeakPolarHBondContact CB-OE2 3.24Å; M76-E78 PolarHBondContact O-N 3.07Å; M76-S79 WeakPolarHBondContact O-CB 3.37Å; M76-S79 PolarHBondContact O-N 3.22Å; M76-S79 PolarHBondContact O-OG 2.96Å
77	A	71	Confident	84.1	Confident	59 Å²	59	66.4 Å²	66.4	49%	0.488	39%	0.389	S	S	.	.	G	3₁₀ helix	trans	-62.7	-37.1	-176.8	0	0	0	0	0	112.4	S79 A80 Q81	A77-S79 PolarHBondContact O-N 3.27Å; A77-A80 PolarHBondContact O-N 3.36Å; A77-Q81 WeakPolarHBondContact O-CG 3.45Å; A77-Q81 PolarHBondContact O-N 2.94Å
78	E	73.7	Confident	83.7	Confident	73 Å²	73	69.2 Å²	69.2	34%	0.341	42%	0.418	S	S	.	.	G	3₁₀ helix	trans	-59.2	-30.9	178.9	-63.4	69.1	-156.3	0	0	111.6	R58 M71 M76 A80 Q81	R58-E78 PolarHBondContact NH2-O 3.45Å; M71-E78 HydrophobicContact CG-CB 3.85Å; M76-E78 VanDerWaalsContact C-N 3.27Å; M76-E78 VanDerWaalsContact CB-OE2 3.3Å; M76-E78 WeakPolarHBondContact CB-OE2 3.24Å; M76-E78 PolarHBondContact O-N 3.07Å; E78-A80 PolarHBondContact O-N 3.27Å; E78-Q81 PolarHBondContact O-N 3.46Å
79	S	76.8	Confident	83.7	Confident	38 Å²	38	69.4 Å²	69.4	27%	0.266	42%	0.419	S	S	.	.	G	3₁₀ helix	trans	-61.6	-24.4	174.7	75.6	0	0	0	0	113.2	R58 S74 M76 A77	R58-S79 PolarHBondContact NH1-O 2.73Å; R58-S79 PolarHBondContact NH2-O 2.75Å; S74-S79 WeakPolarHBondContact O-CB 3.3Å; M76-S79 WeakPolarHBondContact O-CB 3.37Å; M76-S79 PolarHBondContact O-N 3.22Å; M76-S79 PolarHBondContact O-OG 2.96Å; A77-S79 PolarHBondContact O-N 3.27Å
80	A	76.6	Confident	83.7	Confident	88 Å²	88	68 Å²	68	73%	0.727	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.8	-6.8	178.9	0	0	0	0	0	114.4	A77 E78	A77-A80 PolarHBondContact O-N 3.36Å; E78-A80 PolarHBondContact O-N 3.27Å
81	Q	83.7	Confident	83.9	Confident	82 Å²	82	65.7 Å²	65.7	38%	0.383	39%	0.394	S	S	.	.			trans	-80.7	136.7	-179.7	-74.9	168.4	1.8	0	0	112.1	R58 A77 E78	R58-Q81 PolarHBondContact NH2-O 2.8Å; A77-Q81 WeakPolarHBondContact O-CG 3.45Å; A77-Q81 PolarHBondContact O-N 2.94Å; E78-Q81 PolarHBondContact O-N 3.46Å
82	L	85.3	Confident	84.2	Confident	117 Å²	117	69.9 Å²	69.9	61%	0.613	41%	0.413	S	S	*	.	S	Bend	trans	-83.5	-26	178	-166.8	137.4	0	0	0	112.7	V46	V46-L82 HydrophobicContact CG2-CD2 4.18Å; V46-L82 PolarHBondContact N-O 2.63Å
83	E	90.6	Very high	84.5	Confident	103 Å²	103	69.1 Å²	69.1	48%	0.481	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	132.8	171.5	-75.6	173.5	-122.8	0	0	109.5	V46 K48	V46-E83 HydrophobicContact CB-CG 3.99Å; V46-E83 HydrophobicContact CG1-CG 4.29Å; V46-E83 CarbonylContact O-C 3.43Å; V46-E83 WeakPolarHBondContact O-CA 3.41Å; K48-E83 IonicContact NZ-OE2 2.65Å; K48-E83 PolarHBondContact NZ-OE2 3.24Å
84	V	90.5	Very high	84.9	Confident	8 Å²	8	65.2 Å²	65.2	5%	0.048	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	123.9	175	175	0	0	0	0	109.4	V45 V46 I47 K48 M71 F72 L86	V45-V84 HydrophobicContact CG2-CG2 4.08Å; V46-V84 PolarHBondContact O-N 2.77Å; I47-V84 HydrophobicContact CD1-CB 4.2Å; K48-V84 PolarHBondContact N-O 3.1Å; M71-V84 HydrophobicContact CE-CG1 4.14Å; M71-V84 HydrophobicContact SD-CG1 3.7Å; M71-V84 HydrophobicContact SD-CG2 4.47Å; F72-V84 HydrophobicContact CE1-CG2 4.34Å; V84-L86 HydrophobicContact CG1-CD2 4.42Å
85	E	89.5	Confident	85.8	Confident	109 Å²	109	65.7 Å²	65.7	51%	0.509	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	108.6	-177.5	-166.4	-170.6	177.8	0	0	111.3	K48 K87	K48-E85 WeakPolarHBondContact O-CA 3.36Å; E85-K87 VanDerWaalsContact CD-NZ 3.32Å; E85-K87 HydrophobicContact CG-CG 4.42Å; E85-K87 PolarHBondContact O-N 2.87Å; E85-K87 WeakPolarHBondContact OE1-CE 3.1Å; E85-K87 IonicContact OE1-NZ 3.45Å; E85-K87 PolarHBondContact OE1-NZ 3.04Å; E85-K87 WeakPolarHBondContact OE2-CE 3.3Å; E85-K87 IonicContact OE2-NZ 2.72Å; E85-K87 PolarHBondContact OE2-NZ 2.95Å
86	L	89.7	Confident	86.8	Confident	8 Å²	8	63.7 Å²	63.7	4%	0.042	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	103.9	174.8	-65.6	179.8	0	0	0	109.8	I47 K48 Y67 F68 M71 V84 I89 M94	I47-L86 HydrophobicContact CG2-CD1 3.52Å; I47-L86 HydrophobicContact CG2-CG 3.96Å; K48-L86 PolarHBondContact O-N 3.27Å; Y67-L86 HydrophobicContact CE1-CD2 4.1Å; F68-L86 HydrophobicContact CE1-CD1 4Å; F68-L86 HydrophobicContact CE1-CD2 4.5Å; F68-L86 HydrophobicContact CZ-CD1 3.74Å; M71-L86 HydrophobicContact CE-CD2 4.29Å; V84-L86 HydrophobicContact CG1-CD2 4.42Å; L86-I89 HydrophobicContact CB-CD1 4.39Å; L86-I89 HydrophobicContact CD1-CD1 4.32Å; L86-M94 HydrophobicContact CD1-CE 4.15Å; L86-M94 HydrophobicContact CD1-SD 3.77Å
87	K	79.1	Confident	88	Confident	135 Å²	135	58 Å²	58	59%	0.587	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	149.6	175	-67.7	171	-176.8	164.3	0	109.5	E85	E85-K87 VanDerWaalsContact CD-NZ 3.32Å; E85-K87 HydrophobicContact CG-CG 4.42Å; E85-K87 PolarHBondContact O-N 2.87Å; E85-K87 WeakPolarHBondContact OE1-CE 3.1Å; E85-K87 IonicContact OE1-NZ 3.45Å; E85-K87 PolarHBondContact OE1-NZ 3.04Å; E85-K87 WeakPolarHBondContact OE2-CE 3.3Å; E85-K87 IonicContact OE2-NZ 2.72Å; E85-K87 PolarHBondContact OE2-NZ 2.95Å
88	S	84.2	Confident	89.2	Confident	124 Å²	124	55.1 Å²	55.1	87%	0.867	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.2	20.4	-178.5	-42.3	0	0	0	0	116.2
89	I	93.7	Very high	90.2	Very high	4 Å²	4	54.1 Å²	54.1	2%	0.021	30%	0.298	C	S	.	.			trans	-126.4	125.7	169.7	-54.4	-179.5	0	0	0	108.8	L86 I93 M94 A119 L122 V123	L86-I89 HydrophobicContact CB-CD1 4.39Å; L86-I89 HydrophobicContact CD1-CD1 4.32Å; I89-I93 HydrophobicContact CG2-CB 4.21Å; I89-I93 HydrophobicContact CG2-CG2 4.02Å; I89-M94 HydrophobicContact CG2-CB 4.11Å; I89-M94 HydrophobicContact CG2-SD 4.28Å; I89-A119 HydrophobicContact CD1-CB 4.29Å; I89-A119 HydrophobicContact CG1-CB 4.11Å; I89-A119 HydrophobicContact CG2-CB 4.15Å; I89-L122 HydrophobicContact CD1-CD2 4.33Å; I89-L122 HydrophobicContact CG1-CD2 4.28Å; I89-V123 HydrophobicContact CD1-CG1 3.89Å
90	T	94.1	Very high	91.1	Very high	43 Å²	43	54.8 Å²	54.8	26%	0.264	30%	0.295	S	S	.	.			trans	-73	152	177.6	55.5	0	0	0	0	111.4	E92 I93 M94	T90-E92 VanDerWaalsContact C-N 3.26Å; T90-E92 PolarHBondContact O-N 3.15Å; T90-I93 PolarHBondContact O-N 3.27Å; T90-I93 VanDerWaalsContact OG1-CG1 3.24Å; T90-I93 WeakPolarHBondContact OG1-CG1 3.48Å; T90-M94 PolarHBondContact O-N 3.29Å
91	P	95.2	Very high	92	Very high	8 Å²	8	50.9 Å²	50.9	5%	0.052	26%	0.262	C	S	.	.	H	α-helix	trans	-58.2	-34.6	-176.7	-24.7	34.1	0	0	0	114.4	E50 R52 F54 M94 D95	E50-P91 HydrophobicContact CB-CG 4.37Å; R52-P91 HydrophobicContact CB-CB 3.95Å; R52-P91 HydrophobicContact CB-CG 4.24Å; R52-P91 HydrophobicContact CG-CB 4.49Å; F54-P91 HydrophobicContact CE2-CB 4.5Å; F54-P91 HydrophobicContact CZ-CB 4.31Å; F54-P91 VanDerWaalsContact CZ-O 3.3Å; F54-P91 WeakPolarHBondContact CZ-O 3.25Å; P91-M94 PolarHBondContact O-N 3.4Å; P91-D95 PolarHBondContact O-N 2.96Å
92	E	95.1	Very high	92.5	Very high	114 Å²	114	47 Å²	47	53%	0.533	24%	0.244	S	C	.	.	H	α-helix	trans	-69.4	-38.5	180	-70.4	58	-130.5	0	0	111.8	R52 T90 T96	R52-E92 IonicContact NH1-OE1 3.15Å; T90-E92 VanDerWaalsContact C-N 3.26Å; T90-E92 PolarHBondContact O-N 3.15Å; E92-T96 WeakPolarHBondContact O-CB 3.47Å; E92-T96 PolarHBondContact O-N 2.86Å; E92-T96 VanDerWaalsContact O-N 3.13Å; E92-T96 PolarHBondContact O-OG1 3.41Å
93	I	96.6	Very high	92.9	Very high	6 Å²	6	44.3 Å²	44.3	3%	0.031	23%	0.232	C	C	.	.	H	α-helix	trans	-73.7	-38.1	175.3	-63	-62.4	0	0	0	110.6	I89 T90 D95 T96 L97 N112 D115 L116 A119	I89-I93 HydrophobicContact CG2-CB 4.21Å; I89-I93 HydrophobicContact CG2-CG2 4.02Å; T90-I93 PolarHBondContact O-N 3.27Å; T90-I93 VanDerWaalsContact OG1-CG1 3.24Å; T90-I93 WeakPolarHBondContact OG1-CG1 3.48Å; I93-D95 PolarHBondContact O-N 3.19Å; I93-T96 WeakPolarHBondContact O-CB 3.26Å; I93-T96 PolarHBondContact O-N 3.45Å; I93-L97 HydrophobicContact CG2-CD1 3.99Å; I93-L97 HydrophobicContact CG2-CG 4.28Å; I93-L97 WeakPolarHBondContact O-CG 3.21Å; I93-L97 PolarHBondContact O-N 3.22Å; I93-N112 HydrophobicContact CD1-CB 4.06Å; I93-D115 HydrophobicContact CD1-CB 3.98Å; I93-D115 HydrophobicContact CG1-CB 3.67Å; I93-L116 HydrophobicContact CD1-CB 4.01Å; I93-L116 HydrophobicContact CD1-CD1 4.39Å; I93-L116 HydrophobicContact CG2-CD1 4.05Å; I93-A119 HydrophobicContact CG2-CB 3.58Å
94	M	95.7	Very high	92.9	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.005	23%	0.233	C	C	.	.	H	α-helix	trans	-61.3	-43.6	174.7	-166	68.9	-130.9	0	0	111.9	I47 A49 F54 L86 I89 T90 P91 T96 L97 L98	I47-M94 HydrophobicContact CG2-CE 3.89Å; I47-M94 HydrophobicContact CG2-CG 4.32Å; I47-M94 HydrophobicContact CG2-SD 3.92Å; A49-M94 HydrophobicContact CB-CB 3.82Å; A49-M94 HydrophobicContact CB-CG 3.95Å; F54-M94 HydrophobicContact CD2-CG 4.04Å; F54-M94 HydrophobicContact CE2-CB 4.09Å; F54-M94 HydrophobicContact CE2-CG 4.1Å; F54-M94 HydrophobicContact CZ-CB 4.31Å; L86-M94 HydrophobicContact CD1-CE 4.15Å; L86-M94 HydrophobicContact CD1-SD 3.77Å; I89-M94 HydrophobicContact CG2-CB 4.11Å; I89-M94 HydrophobicContact CG2-SD 4.28Å; T90-M94 PolarHBondContact O-N 3.29Å; P91-M94 PolarHBondContact O-N 3.4Å; M94-T96 VanDerWaalsContact C-N 3.31Å; M94-T96 PolarHBondContact O-N 3.49Å; M94-L97 PolarHBondContact O-N 3.07Å; M94-L98 HydrophobicContact CE-CD1 4.11Å; M94-L98 HydrophobicContact CE-CD2 4Å; M94-L98 HydrophobicContact CE-CG 3.75Å; M94-L98 HydrophobicContact CG-CD1 4.3Å; M94-L98 WeakPolarHBondContact O-CB 3.09Å; M94-L98 VanDerWaalsContact O-CG 3.28Å; M94-L98 WeakPolarHBondContact O-CG 3.42Å; M94-L98 PolarHBondContact O-N 3.24Å
95	D	94.9	Very high	93.1	Very high	56 Å²	56	48.5 Å²	48.5	30%	0.299	27%	0.265	S	S	.	.	H	α-helix	trans	-64.5	-37	175.3	-154.4	23.8	0	0	0	111.5	R37 R52 F54 P91 I93 L98 D99	R37-D95 IonicContact NH1-OD1 3.25Å; R52-D95 IonicContact NH2-OD2 3.66Å; F54-D95 HydrophobicContact CE1-CB 3.69Å; F54-D95 HydrophobicContact CZ-CB 4.25Å; P91-D95 PolarHBondContact O-N 2.96Å; I93-D95 PolarHBondContact O-N 3.19Å; D95-L98 PolarHBondContact O-N 2.91Å; D95-D99 PolarHBondContact O-N 3.31Å
96	T	96.1	Very high	93.4	Very high	41 Å²	41	45.1 Å²	45.1	25%	0.252	25%	0.251	S	S	.	.	H	α-helix	trans	-64.9	-44.6	175.9	-59.2	0	0	0	0	112.3	E92 I93 M94 D99 Y100 V106 L116	E92-T96 WeakPolarHBondContact O-CB 3.47Å; E92-T96 PolarHBondContact O-N 2.86Å; E92-T96 VanDerWaalsContact O-N 3.13Å; E92-T96 PolarHBondContact O-OG1 3.41Å; I93-T96 WeakPolarHBondContact O-CB 3.26Å; I93-T96 PolarHBondContact O-N 3.45Å; M94-T96 VanDerWaalsContact C-N 3.31Å; M94-T96 PolarHBondContact O-N 3.49Å; T96-D99 PolarHBondContact O-N 3.32Å; T96-Y100 PolarHBondContact O-N 3.41Å; T96-V106 HydrophobicContact CG2-CG2 3.98Å; T96-L116 HydrophobicContact CG2-CD1 4.15Å
97	L	96.7	Very high	93.6	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-67.1	-36.8	176	-69.1	171.7	0	0	0	111.5	I93 M94 Y100 V101 L116 A119 A120 V123 M125 V128	I93-L97 HydrophobicContact CG2-CD1 3.99Å; I93-L97 HydrophobicContact CG2-CG 4.28Å; I93-L97 WeakPolarHBondContact O-CG 3.21Å; I93-L97 PolarHBondContact O-N 3.22Å; M94-L97 PolarHBondContact O-N 3.07Å; L97-Y100 WeakPolarHBondContact O-CB 3.48Å; L97-Y100 PolarHBondContact O-N 3Å; L97-V101 WeakPolarHBondContact O-CG2 3.25Å; L97-V101 PolarHBondContact O-N 3.46Å; L97-L116 HydrophobicContact CD2-CD1 3.83Å; L97-L116 HydrophobicContact CG-CD1 4.18Å; L97-A119 HydrophobicContact CD1-CB 3.91Å; L97-A120 HydrophobicContact CD2-CB 4.3Å; L97-V123 HydrophobicContact CD1-CG2 4.12Å; L97-M125 HydrophobicContact CB-SD 4.37Å; L97-M125 HydrophobicContact CD2-SD 3.96Å; L97-V128 HydrophobicContact CD2-CG1 4.21Å; L97-V128 HydrophobicContact CD2-CG2 4.35Å
98	L	95.3	Very high	94.4	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-68.9	-43.6	174.3	-71.5	170.9	0	0	0	112.3	F54 A56 L61 M94 D95 Y100 V101 Y102	F54-L98 HydrophobicContact CB-CD1 3.52Å; F54-L98 HydrophobicContact CD1-CD1 3.76Å; F54-L98 HydrophobicContact CG-CD1 3.77Å; A56-L98 HydrophobicContact CB-CD2 4.31Å; L61-L98 HydrophobicContact CD2-CD2 3.84Å; M94-L98 HydrophobicContact CE-CD1 4.11Å; M94-L98 HydrophobicContact CE-CD2 4Å; M94-L98 HydrophobicContact CE-CG 3.75Å; M94-L98 HydrophobicContact CG-CD1 4.3Å; M94-L98 WeakPolarHBondContact O-CB 3.09Å; M94-L98 VanDerWaalsContact O-CG 3.28Å; M94-L98 WeakPolarHBondContact O-CG 3.42Å; M94-L98 PolarHBondContact O-N 3.24Å; D95-L98 PolarHBondContact O-N 2.91Å; L98-Y100 VanDerWaalsContact C-N 3.25Å; L98-Y100 PolarHBondContact O-N 3.49Å; L98-V101 PolarHBondContact O-N 2.98Å; L98-Y102 WeakPolarHBondContact O-CD2 3.47Å; L98-Y102 PolarHBondContact O-N 3.45Å; L98-Y102 VanDerWaalsContact O-N 3.12Å
99	D	94.6	Very high	94.9	Very high	52 Å²	52	46.8 Å²	46.8	28%	0.278	25%	0.245	S	C	.	.	H	α-helix	trans	-64.1	-31.8	173.6	-103	15.4	0	0	0	111.3	R37 K38 D95 T96 T103	R37-D99 IonicContact CZ-OD1 3.16Å; R37-D99 IonicContact NH2-OD1 2.79Å; R37-D99 PolarHBondContact NH2-OD1 2.73Å; K38-D99 WeakPolarHBondContact CE-OD1 3.43Å; K38-D99 VanDerWaalsContact NZ-CG 3.28Å; K38-D99 IonicContact NZ-OD1 3.23Å; K38-D99 PolarHBondContact NZ-OD1 2.89Å; K38-D99 IonicContact NZ-OD2 2.78Å; K38-D99 PolarHBondContact NZ-OD2 2.61Å; D95-D99 PolarHBondContact O-N 3.31Å; T96-D99 PolarHBondContact O-N 3.32Å; D99-T103 VanDerWaalsContact O-CB 3.29Å; D99-T103 WeakPolarHBondContact O-CB 3.37Å; D99-T103 VanDerWaalsContact O-CG2 3.27Å; D99-T103 WeakPolarHBondContact O-CG2 3.41Å; D99-T103 PolarHBondContact O-N 3.33Å; D99-T103 VanDerWaalsContact O-N 3.07Å; D99-T103 PolarHBondContact O-OG1 2.89Å
100	Y	96	Very high	94.7	Very high	51 Å²	51	51.1 Å²	51.1	20%	0.2	27%	0.267	C	S	.	.	H	α-helix	trans	-61.8	-55.3	168.6	175.2	-99.6	0	0	0	112.5	T96 L97 L98 Y102 T103 G104 Q105 V106 M125 V128	T96-Y100 PolarHBondContact O-N 3.41Å; L97-Y100 WeakPolarHBondContact O-CB 3.48Å; L97-Y100 PolarHBondContact O-N 3Å; L98-Y100 VanDerWaalsContact C-N 3.25Å; L98-Y100 PolarHBondContact O-N 3.49Å; Y100-Y102 PolarHBondContact O-N 2.87Å; Y100-T103 PolarHBondContact O-N 3.46Å; Y100-G104 PolarHBondContact O-N 2.63Å; Y100-Q105 WeakPolarHBondContact CA-O 3.15Å; Y100-V106 HydrophobicContact CD2-CB 3.87Å; Y100-V106 HydrophobicContact CD2-CG1 4.19Å; Y100-V106 HydrophobicContact CG-CB 4.44Å; Y100-M125 HydrophobicContact CD1-SD 4.36Å; Y100-V128 HydrophobicContact CD1-CG2 3.38Å; Y100-V128 HydrophobicContact CD2-CG2 3.85Å; Y100-V128 HydrophobicContact CE1-CG2 3.49Å; Y100-V128 VanDerWaalsContact CE1-CG2 3.49Å; Y100-V128 HydrophobicContact CE2-CG2 3.94Å; Y100-V128 HydrophobicContact CG-CG2 3.57Å
101	V	95.7	Very high	94.7	Very high	6 Å²	6	53.8 Å²	53.8	4%	0.036	29%	0.293	C	S	.	.	H	α-helix	trans	-51.4	-35.7	179	163.7	0	0	0	0	112.4	V60 L61 L97 L98 M125	V60-V101 HydrophobicContact CG1-CG1 3.86Å; L61-V101 HydrophobicContact CD2-CG1 4.38Å; L97-V101 WeakPolarHBondContact O-CG2 3.25Å; L97-V101 PolarHBondContact O-N 3.46Å; L98-V101 PolarHBondContact O-N 2.98Å; V101-M125 HydrophobicContact CG2-CE 3.37Å; V101-M125 HydrophobicContact CG2-SD 3.99Å
102	Y	94.9	Very high	94.7	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.8	-0.2	-178	-77.4	-89.2	0	0	0	115.4	M33 N34 R37 H57 V60 L98 Y100	M33-Y102 HydrophobicContact CB-CD1 4.13Å; M33-Y102 HydrophobicContact CB-CE1 4.03Å; N34-Y102 HydrophobicContact CB-CD1 4.15Å; N34-Y102 HydrophobicContact CB-CG 4.32Å; N34-Y102 VanDerWaalsContact CG-CB 3.43Å; R37-Y102 HydrophobicContact CB-CE1 4.3Å; H57-Y102 VanDerWaalsContact CB-OH 3.3Å; H57-Y102 WeakPolarHBondContact CB-OH 3.48Å; H57-Y102 PolarHBondContact N-OH 3.42Å; H57-Y102 AromaticContact ND1-CZ 3.95Å; H57-Y102 PolarHBondContact ND1-OH 3.05Å; V60-Y102 HydrophobicContact CB-CE1 4.2Å; V60-Y102 HydrophobicContact CG1-CD1 4.2Å; V60-Y102 HydrophobicContact CG1-CE1 3.82Å; V60-Y102 HydrophobicContact CG1-CE2 4.29Å; V60-Y102 HydrophobicContact CG2-CE1 4.22Å; L98-Y102 WeakPolarHBondContact O-CD2 3.47Å; L98-Y102 PolarHBondContact O-N 3.45Å; L98-Y102 VanDerWaalsContact O-N 3.12Å; Y100-Y102 PolarHBondContact O-N 2.87Å
103	T	93.1	Very high	94.6	Very high	61 Å²	61	49.4 Å²	49.4	37%	0.374	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-136.3	-17.9	-179.3	68.3	0	0	0	0	115.9	N34 D99 Y100 Q105	N34-T103 VanDerWaalsContact ND2-CG2 3.32Å; N34-T103 WeakPolarHBondContact ND2-CG2 3.3Å; D99-T103 VanDerWaalsContact O-CB 3.29Å; D99-T103 WeakPolarHBondContact O-CB 3.37Å; D99-T103 VanDerWaalsContact O-CG2 3.27Å; D99-T103 WeakPolarHBondContact O-CG2 3.41Å; D99-T103 PolarHBondContact O-N 3.33Å; D99-T103 VanDerWaalsContact O-N 3.07Å; D99-T103 PolarHBondContact O-OG1 2.89Å; Y100-T103 PolarHBondContact O-N 3.46Å; T103-Q105 PolarHBondContact O-N 3.43Å; T103-Q105 PolarHBondContact OG1-N 3.35Å; T103-Q105 VanDerWaalsContact OG1-N 3.11Å; T103-Q105 PolarHBondContact OG1-O 2.9Å
104	G	91.5	Very high	94.4	Very high	49 Å²	49	55.9 Å²	55.9	51%	0.505	30%	0.303	S	S	.	.	S	Bend	trans	69.6	10.5	-168.1	0	0	0	0	0	114.3	Y100	Y100-G104 PolarHBondContact O-N 2.63Å
105	Q	92.9	Very high	94.4	Very high	151 Å²	151	60 Å²	60	71%	0.706	33%	0.325	S	S	*	.			trans	-121	133.7	-176.2	-61.4	-172.6	-11.9	0	0	111.3	Y100 T103	Y100-Q105 WeakPolarHBondContact CA-O 3.15Å; T103-Q105 PolarHBondContact O-N 3.43Å; T103-Q105 PolarHBondContact OG1-N 3.35Å; T103-Q105 VanDerWaalsContact OG1-N 3.11Å; T103-Q105 PolarHBondContact OG1-O 2.9Å
106	V	95.6	Very high	94.4	Very high	38 Å²	38	57.4 Å²	57.4	23%	0.23	31%	0.311	C	S	.	.			trans	-131.5	149.7	175.4	64.2	0	0	0	0	109.4	T96 Y100 V108 L116 V128 A131	T96-V106 HydrophobicContact CG2-CG2 3.98Å; Y100-V106 HydrophobicContact CD2-CB 3.87Å; Y100-V106 HydrophobicContact CD2-CG1 4.19Å; Y100-V106 HydrophobicContact CG-CB 4.44Å; V106-V108 HydrophobicContact CG1-CG2 4.48Å; V106-L116 HydrophobicContact CG2-CD2 3.86Å; V106-V128 HydrophobicContact CG2-CG1 4.24Å; V106-A131 HydrophobicContact CG1-CB 4.01Å
107	R	94.4	Very high	94.4	Very high	220 Å²	220	55.4 Å²	55.4	83%	0.83	30%	0.299	S	S	*	.			trans	-112.9	112.2	173.3	-70.5	-177.7	175.7	-178.6	-2.1	109.1	N112	R107-N112 PolarHBondContact O-ND2 3.33Å
108	V	95.8	Very high	94.2	Very high	33 Å²	33	57.3 Å²	57.3	20%	0.2	31%	0.311	C	S	.	.			trans	-96.3	145.2	173.8	-166.6	0	0	0	0	109	V106 V113 L116 A131 C132 F135	V106-V108 HydrophobicContact CG1-CG2 4.48Å; V108-V113 HydrophobicContact CG1-CB 3.8Å; V108-V113 HydrophobicContact CG1-CG2 3.75Å; V108-L116 HydrophobicContact CG2-CD2 4.22Å; V108-A131 HydrophobicContact CG2-CB 4.36Å; V108-C132 HydrophobicContact CG1-CB 4.48Å; V108-F135 HydrophobicContact CB-CB 4.11Å; V108-F135 HydrophobicContact CB-CG 4.13Å; V108-F135 HydrophobicContact CG1-CB 3.72Å; V108-F135 HydrophobicContact CG1-CD1 3.6Å; V108-F135 HydrophobicContact CG1-CD2 4.41Å; V108-F135 HydrophobicContact CG1-CE1 4.38Å; V108-F135 HydrophobicContact CG1-CG 3.62Å
109	S	94.7	Very high	94.2	Very high	48 Å²	48	57.5 Å²	57.5	34%	0.336	31%	0.313	S	S	.	.			trans	-160	161.7	178.9	65.2	0	0	0	0	109.5	A111 N112 V113	S109-A111 PolarHBondContact O-N 3.08Å; S109-A111 VanDerWaalsContact O-N 3.14Å; S109-N112 PolarHBondContact N-OD1 3.11Å; S109-N112 PolarHBondContact O-N 3.37Å; S109-N112 VanDerWaalsContact O-N 3.08Å; S109-N112 PolarHBondContact O-OD1 3.19Å; S109-N112 PolarHBondContact OG-OD1 2.76Å; S109-V113 WeakPolarHBondContact O-CB 3.38Å; S109-V113 PolarHBondContact O-N 3.24Å
110	M	90.5	Very high	94.2	Very high	96 Å²	96	55 Å²	55	47%	0.473	30%	0.3	S	S	.	.	H	α-helix	trans	-53.7	-35.4	175.6	-75.1	-58.6	-170.1	0	0	113.5	N112 F135 E139	M110-N112 VanDerWaalsContact C-N 3.3Å; M110-N112 PolarHBondContact O-N 2.88Å; M110-F135 HydrophobicContact CE-CE1 4.47Å; M110-F135 HydrophobicContact CG-CE1 4.25Å; M110-F135 HydrophobicContact CG-CZ 4.07Å; M110-F135 HydrophobicContact SD-CE1 3.93Å; M110-F135 HydrophobicContact SD-CZ 4.27Å; M110-E139 HydrophobicContact CE-CB 3.42Å; M110-E139 VanDerWaalsContact CE-CB 3.42Å; M110-E139 HydrophobicContact CE-CG 3.75Å; M110-E139 WeakPolarHBondContact CE-OE2 3.49Å
111	A	93	Very high	94.1	Very high	98 Å²	98	54.5 Å²	54.5	81%	0.81	30%	0.303	S	S	*	.	H	α-helix	trans	-77.5	-6.6	-177.5	0	0	0	0	0	114.9	S109	S109-A111 PolarHBondContact O-N 3.08Å; S109-A111 VanDerWaalsContact O-N 3.14Å
112	N	94.9	Very high	93.9	Very high	27 Å²	27	58 Å²	58	14%	0.144	32%	0.322	C	S	.	.	H	α-helix	trans	-133.4	-14.2	176.7	75	-22.8	0	0	0	115.1	I93 R107 S109 M110 Q114 D115 L116	I93-N112 HydrophobicContact CD1-CB 4.06Å; R107-N112 PolarHBondContact O-ND2 3.33Å; S109-N112 PolarHBondContact N-OD1 3.11Å; S109-N112 PolarHBondContact O-N 3.37Å; S109-N112 VanDerWaalsContact O-N 3.08Å; S109-N112 PolarHBondContact O-OD1 3.19Å; S109-N112 PolarHBondContact OG-OD1 2.76Å; M110-N112 VanDerWaalsContact C-N 3.3Å; M110-N112 PolarHBondContact O-N 2.88Å; N112-Q114 VanDerWaalsContact C-N 3.26Å; N112-Q114 PolarHBondContact O-N 3.05Å; N112-D115 PolarHBondContact O-N 3.34Å; N112-L116 WeakPolarHBondContact O-CB 3.37Å; N112-L116 PolarHBondContact O-N 3.21Å
113	V	94.8	Very high	93.9	Very high	3 Å²	3	58.1 Å²	58.1	2%	0.018	32%	0.322	C	S	.	.	H	α-helix	trans	-61	-33.5	-177.3	69.1	0	0	0	0	113.2	V108 S109 D115 L117 C132 F135 L136	V108-V113 HydrophobicContact CG1-CB 3.8Å; V108-V113 HydrophobicContact CG1-CG2 3.75Å; S109-V113 WeakPolarHBondContact O-CB 3.38Å; S109-V113 PolarHBondContact O-N 3.24Å; V113-D115 PolarHBondContact O-N 2.87Å; V113-L117 WeakPolarHBondContact O-CB 3.25Å; V113-L117 PolarHBondContact O-N 2.85Å; V113-C132 HydrophobicContact CG2-CB 4Å; V113-F135 HydrophobicContact CB-CD1 4.22Å; V113-F135 HydrophobicContact CB-CE1 4.39Å; V113-F135 HydrophobicContact CG1-CD1 4.38Å; V113-F135 HydrophobicContact CG1-CE1 4.2Å; V113-F135 HydrophobicContact CG2-CD1 4.14Å; V113-L136 HydrophobicContact CG1-CD2 4.13Å; V113-L136 HydrophobicContact CG2-CD1 4.15Å; V113-L136 HydrophobicContact CG2-CD2 4.11Å; V113-L136 HydrophobicContact CG2-CG 3.98Å
114	Q	92.2	Very high	93.9	Very high	143 Å²	143	60 Å²	60	67%	0.668	33%	0.327	S	S	*	.	H	α-helix	trans	-66.2	-33.2	179.4	-72.5	-172.5	-18.5	0	0	113.4	N112 P118	N112-Q114 VanDerWaalsContact C-N 3.26Å; N112-Q114 PolarHBondContact O-N 3.05Å; Q114-P118 WeakPolarHBondContact O-CD 3.35Å; Q114-P118 WeakPolarHBondContact O-CG 3.25Å
115	D	94.6	Very high	94.1	Very high	88 Å²	88	58 Å²	58	47%	0.471	30%	0.304	S	S	.	.	H	α-helix	trans	-94.5	-27.9	175.6	-58.7	-46.8	0	0	0	112.5	I93 N112 V113 P118 A119	I93-D115 HydrophobicContact CD1-CB 3.98Å; I93-D115 HydrophobicContact CG1-CB 3.67Å; N112-D115 PolarHBondContact O-N 3.34Å; V113-D115 PolarHBondContact O-N 2.87Å; D115-P118 WeakPolarHBondContact O-CD 3.12Å; D115-A119 VanDerWaalsContact O-CB 3.25Å; D115-A119 WeakPolarHBondContact O-CB 3.36Å; D115-A119 PolarHBondContact O-N 3.38Å
116	L	96.3	Very high	94	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-74.5	-40.8	-177.4	-173.6	61.3	0	0	0	112.8	I93 T96 L97 V106 V108 N112 A120 V128	I93-L116 HydrophobicContact CD1-CB 4.01Å; I93-L116 HydrophobicContact CD1-CD1 4.39Å; I93-L116 HydrophobicContact CG2-CD1 4.05Å; T96-L116 HydrophobicContact CG2-CD1 4.15Å; L97-L116 HydrophobicContact CD2-CD1 3.83Å; L97-L116 HydrophobicContact CG-CD1 4.18Å; V106-L116 HydrophobicContact CG2-CD2 3.86Å; V108-L116 HydrophobicContact CG2-CD2 4.22Å; N112-L116 WeakPolarHBondContact O-CB 3.37Å; N112-L116 PolarHBondContact O-N 3.21Å; L116-A120 WeakPolarHBondContact O-CB 3.44Å; L116-A120 PolarHBondContact O-N 3.48Å; L116-V128 HydrophobicContact CD1-CG1 3.99Å; L116-V128 HydrophobicContact CD2-CG1 4.22Å; L116-V128 HydrophobicContact CG-CG1 3.91Å
117	L	94.8	Very high	93.9	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-64.9	-47.7	178.5	-173	83.5	0	0	0	112.2	V113 A120 S121 K129 C132 L136 F151 H155	V113-L117 WeakPolarHBondContact O-CB 3.25Å; V113-L117 PolarHBondContact O-N 2.85Å; L117-A120 PolarHBondContact O-N 3.04Å; L117-S121 WeakPolarHBondContact O-CB 3.35Å; L117-S121 PolarHBondContact O-N 3.36Å; L117-K129 HydrophobicContact CD1-CB 4.4Å; L117-K129 HydrophobicContact CD1-CG 3.77Å; L117-C132 HydrophobicContact CB-CB 4.21Å; L117-C132 HydrophobicContact CD1-CB 3.52Å; L117-C132 HydrophobicContact CG-CB 4.48Å; L117-L136 HydrophobicContact CD2-CD1 4.47Å; L117-F151 HydrophobicContact CB-CE1 3.94Å; L117-F151 HydrophobicContact CB-CZ 4Å; L117-F151 HydrophobicContact CD2-CD1 3.7Å; L117-F151 HydrophobicContact CD2-CE1 3.33Å; L117-F151 HydrophobicContact CD2-CZ 3.88Å; L117-F151 HydrophobicContact CG-CE1 4.25Å; L117-H155 HydrophobicContact CD2-CB 3.97Å; L117-H155 HydrophobicContact CG-CB 4.38Å
118	P	93.5	Very high	94	Very high	40 Å²	40	45.2 Å²	45.2	26%	0.26	26%	0.262	S	S	.	.	H	α-helix	trans	-63.7	-43.1	177	-19.9	32.3	0	0	0	111.9	Q114 D115 S121 L122 F151	Q114-P118 WeakPolarHBondContact O-CD 3.35Å; Q114-P118 WeakPolarHBondContact O-CG 3.25Å; D115-P118 WeakPolarHBondContact O-CD 3.12Å; P118-S121 PolarHBondContact O-N 2.78Å; P118-L122 WeakPolarHBondContact O-CB 3.25Å; P118-L122 PolarHBondContact O-N 3.27Å; P118-F151 HydrophobicContact CG-CE2 4Å; P118-F151 HydrophobicContact CG-CZ 4.03Å
119	A	95.2	Very high	93.9	Very high	4 Å²	4	44.7 Å²	44.7	3%	0.033	26%	0.257	C	S	.	.	H	α-helix	trans	-63.5	-46.3	178.2	0	0	0	0	0	111.5	I89 I93 L97 D115 S121 L122 V123	I89-A119 HydrophobicContact CD1-CB 4.29Å; I89-A119 HydrophobicContact CG1-CB 4.11Å; I89-A119 HydrophobicContact CG2-CB 4.15Å; I93-A119 HydrophobicContact CG2-CB 3.58Å; L97-A119 HydrophobicContact CD1-CB 3.91Å; D115-A119 VanDerWaalsContact O-CB 3.25Å; D115-A119 WeakPolarHBondContact O-CB 3.36Å; D115-A119 PolarHBondContact O-N 3.38Å; A119-S121 VanDerWaalsContact C-N 3.31Å; A119-S121 PolarHBondContact O-N 3.48Å; A119-L122 WeakPolarHBondContact O-CB 3.37Å; A119-L122 PolarHBondContact O-N 3.06Å; A119-L122 VanDerWaalsContact O-N 3.15Å; A119-V123 WeakPolarHBondContact O-CG2 3.43Å; A119-V123 PolarHBondContact O-N 2.77Å
120	A	94.8	Very high	93.8	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-61.8	-36.9	175.3	0	0	0	0	0	112.6	L97 L116 L117 Q124 M125 V128	L97-A120 HydrophobicContact CD2-CB 4.3Å; L116-A120 WeakPolarHBondContact O-CB 3.44Å; L116-A120 PolarHBondContact O-N 3.48Å; L117-A120 PolarHBondContact O-N 3.04Å; A120-Q124 PolarHBondContact O-N 3.26Å; A120-M125 PolarHBondContact O-N 3.48Å; A120-V128 HydrophobicContact CB-CB 3.82Å; A120-V128 HydrophobicContact CB-CG1 3.68Å
121	S	92.6	Very high	94.1	Very high	39 Å²	39	42.4 Å²	42.4	27%	0.273	25%	0.249	S	C	.	.	H	α-helix	trans	-68.5	-36.1	173.8	-170.4	0	0	0	0	112.4	L117 P118 A119 Q124	L117-S121 WeakPolarHBondContact O-CB 3.35Å; L117-S121 PolarHBondContact O-N 3.36Å; P118-S121 PolarHBondContact O-N 2.78Å; A119-S121 VanDerWaalsContact C-N 3.31Å; A119-S121 PolarHBondContact O-N 3.48Å; S121-Q124 PolarHBondContact O-N 3.24Å
122	L	92.5	Very high	94.2	Very high	81 Å²	81	37.7 Å²	37.7	42%	0.424	21%	0.211	S	C	.	.	H	α-helix	trans	-68.4	-45.8	177.6	178.1	62.1	0	0	0	111.6	I89 P118 A119 Q124	I89-L122 HydrophobicContact CD1-CD2 4.33Å; I89-L122 HydrophobicContact CG1-CD2 4.28Å; P118-L122 WeakPolarHBondContact O-CB 3.25Å; P118-L122 PolarHBondContact O-N 3.27Å; A119-L122 WeakPolarHBondContact O-CB 3.37Å; A119-L122 PolarHBondContact O-N 3.06Å; A119-L122 VanDerWaalsContact O-N 3.15Å; L122-Q124 VanDerWaalsContact C-N 3.28Å; L122-Q124 PolarHBondContact O-N 2.85Å
123	V	93.5	Very high	94.2	Very high	2 Å²	2	37.1 Å²	37.1	1%	0.012	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	14.7	176.4	-55	0	0	0	0	113.7	S65 Y67 F68 I89 L97 A119 M125	S65-V123 WeakPolarHBondContact CB-O 3.16Å; S65-V123 PolarHBondContact OG-O 3.13Å; Y67-V123 HydrophobicContact CD1-CB 4.15Å; Y67-V123 HydrophobicContact CD1-CG1 4.07Å; Y67-V123 HydrophobicContact CE1-CG1 4.23Å; F68-V123 HydrophobicContact CE2-CB 4.07Å; F68-V123 HydrophobicContact CE2-CG1 4.16Å; F68-V123 HydrophobicContact CZ-CB 4.45Å; F68-V123 HydrophobicContact CZ-CG1 4.06Å; I89-V123 HydrophobicContact CD1-CG1 3.89Å; L97-V123 HydrophobicContact CD1-CG2 4.12Å; A119-V123 WeakPolarHBondContact O-CG2 3.43Å; A119-V123 PolarHBondContact O-N 2.77Å; V123-M125 VanDerWaalsContact C-N 3.28Å; V123-M125 HydrophobicContact CB-CE 4.48Å; V123-M125 HydrophobicContact CG2-CB 4.39Å; V123-M125 HydrophobicContact CG2-CE 3.8Å; V123-M125 HydrophobicContact CG2-CG 3.84Å; V123-M125 HydrophobicContact CG2-SD 3.75Å; V123-M125 PolarHBondContact O-N 3.18Å
124	Q	94.3	Very high	94.1	Very high	101 Å²	101	40 Å²	40	47%	0.472	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.4	39.6	173.3	-58.1	178.2	25.3	0	0	114.3	A120 S121 L122 E126	A120-Q124 PolarHBondContact O-N 3.26Å; S121-Q124 PolarHBondContact O-N 3.24Å; L122-Q124 VanDerWaalsContact C-N 3.28Å; L122-Q124 PolarHBondContact O-N 2.85Å; Q124-E126 PolarHBondContact O-N 3.46Å
125	M	94.5	Very high	94.3	Very high	5 Å²	5	35.1 Å²	35.1	3%	0.025	20%	0.201	C	C	.	.			trans	-93.5	74.2	176.2	-72.8	179.7	-170.3	0	0	110.7	F68 L97 Y100 V101 A120 V123 G127 V128 K129	F68-M125 HydrophobicContact CD2-CE 4.16Å; F68-M125 HydrophobicContact CE2-CE 3.87Å; L97-M125 HydrophobicContact CB-SD 4.37Å; L97-M125 HydrophobicContact CD2-SD 3.96Å; Y100-M125 HydrophobicContact CD1-SD 4.36Å; V101-M125 HydrophobicContact CG2-CE 3.37Å; V101-M125 HydrophobicContact CG2-SD 3.99Å; A120-M125 PolarHBondContact O-N 3.48Å; V123-M125 VanDerWaalsContact C-N 3.28Å; V123-M125 HydrophobicContact CB-CE 4.48Å; V123-M125 HydrophobicContact CG2-CB 4.39Å; V123-M125 HydrophobicContact CG2-CE 3.8Å; V123-M125 HydrophobicContact CG2-CG 3.84Å; V123-M125 HydrophobicContact CG2-SD 3.75Å; V123-M125 PolarHBondContact O-N 3.18Å; M125-G127 PolarHBondContact O-N 2.85Å; M125-G127 VanDerWaalsContact O-N 3.13Å; M125-V128 HydrophobicContact CB-CB 4.34Å; M125-V128 HydrophobicContact CB-CG2 4.21Å; M125-V128 PolarHBondContact O-N 3.41Å; M125-K129 PolarHBondContact O-N 2.89Å; M125-K129 VanDerWaalsContact O-N 3.1Å
126	E	92.2	Very high	94.3	Very high	103 Å²	103	31.3 Å²	31.3	48%	0.481	18%	0.18	S	C	.	.	H	α-helix	trans	-56.1	-34	-173.2	-166.4	61	-142.3	0	0	113	Q124 V128 K129 V130	Q124-E126 PolarHBondContact O-N 3.46Å; E126-V128 VanDerWaalsContact C-N 3.3Å; E126-V128 PolarHBondContact O-N 3.47Å; E126-K129 PolarHBondContact O-N 3.29Å; E126-K129 VanDerWaalsContact O-N 3.16Å; E126-K129 IonicContact OE1-NZ 3.11Å; E126-K129 WeakPolarHBondContact OE2-CD 3.31Å; E126-K129 IonicContact OE2-NZ 3.92Å; E126-V130 HydrophobicContact CG-CG2 4.34Å; E126-V130 WeakPolarHBondContact O-CB 3.28Å; E126-V130 WeakPolarHBondContact O-CG2 3.46Å; E126-V130 PolarHBondContact O-N 3.29Å
127	G	93.4	Very high	94.1	Very high	39 Å²	39	32.9 Å²	32.9	40%	0.402	19%	0.188	S	C	.	.	H	α-helix	trans	-61.6	-33.3	174.9	0	0	0	0	0	114.2	M125 A131	M125-G127 PolarHBondContact O-N 2.85Å; M125-G127 VanDerWaalsContact O-N 3.13Å; G127-A131 WeakPolarHBondContact O-CB 3.42Å; G127-A131 PolarHBondContact O-N 2.98Å
128	V	95.6	Very high	94.1	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-77.5	-39.2	172.9	-179.6	0	0	0	0	110.5	L97 Y100 V106 L116 A120 M125 E126 V130 A131 C132	L97-V128 HydrophobicContact CD2-CG1 4.21Å; L97-V128 HydrophobicContact CD2-CG2 4.35Å; Y100-V128 HydrophobicContact CD1-CG2 3.38Å; Y100-V128 HydrophobicContact CD2-CG2 3.85Å; Y100-V128 HydrophobicContact CE1-CG2 3.49Å; Y100-V128 VanDerWaalsContact CE1-CG2 3.49Å; Y100-V128 HydrophobicContact CE2-CG2 3.94Å; Y100-V128 HydrophobicContact CG-CG2 3.57Å; V106-V128 HydrophobicContact CG2-CG1 4.24Å; L116-V128 HydrophobicContact CD1-CG1 3.99Å; L116-V128 HydrophobicContact CD2-CG1 4.22Å; L116-V128 HydrophobicContact CG-CG1 3.91Å; A120-V128 HydrophobicContact CB-CB 3.82Å; A120-V128 HydrophobicContact CB-CG1 3.68Å; M125-V128 HydrophobicContact CB-CB 4.34Å; M125-V128 HydrophobicContact CB-CG2 4.21Å; M125-V128 PolarHBondContact O-N 3.41Å; E126-V128 VanDerWaalsContact C-N 3.3Å; E126-V128 PolarHBondContact O-N 3.47Å; V128-V130 PolarHBondContact O-N 3.46Å; V128-A131 PolarHBondContact O-N 3.32Å; V128-C132 WeakPolarHBondContact O-CB 3.27Å; V128-C132 PolarHBondContact O-N 2.93Å; V128-C132 PolarHBondContact O-SG 3.03Å
129	K	94	Very high	94	Very high	22 Å²	22	39.4 Å²	39.4	10%	0.096	22%	0.222	C	C	.	.	H	α-helix	trans	-61.2	-42.8	176.8	-174.5	-175.6	157.7	-159.9	0	112.1	L117 M125 E126 C132 S133 H155 N156 C157	L117-K129 HydrophobicContact CD1-CB 4.4Å; L117-K129 HydrophobicContact CD1-CG 3.77Å; M125-K129 PolarHBondContact O-N 2.89Å; M125-K129 VanDerWaalsContact O-N 3.1Å; E126-K129 PolarHBondContact O-N 3.29Å; E126-K129 VanDerWaalsContact O-N 3.16Å; E126-K129 IonicContact OE1-NZ 3.11Å; E126-K129 WeakPolarHBondContact OE2-CD 3.31Å; E126-K129 IonicContact OE2-NZ 3.92Å; K129-C132 PolarHBondContact O-N 3.39Å; K129-S133 WeakPolarHBondContact O-CB 3.39Å; K129-S133 PolarHBondContact O-N 3.38Å; K129-S133 PolarHBondContact O-OG 2.88Å; K129-H155 WeakPolarHBondContact CE-O 3.36Å; K129-H155 PolarHBondContact NZ-O 2.97Å; K129-N156 PolarHBondContact NZ-O 3.38Å; K129-C157 WeakPolarHBondContact CE-SG 3.28Å
130	V	93.8	Very high	93.9	Very high	64 Å²	64	40.1 Å²	40.1	39%	0.388	23%	0.226	S	C	.	.	H	α-helix	trans	-64.8	-43.9	173.1	170.8	0	0	0	0	111.2	E126 V128 C132 S133 N134	E126-V130 HydrophobicContact CG-CG2 4.34Å; E126-V130 WeakPolarHBondContact O-CB 3.28Å; E126-V130 WeakPolarHBondContact O-CG2 3.46Å; E126-V130 PolarHBondContact O-N 3.29Å; V128-V130 PolarHBondContact O-N 3.46Å; V130-C132 VanDerWaalsContact C-N 3.32Å; V130-C132 PolarHBondContact O-N 3.35Å; V130-S133 PolarHBondContact O-N 3.23Å; V130-N134 WeakPolarHBondContact O-CB 3.35Å; V130-N134 VanDerWaalsContact O-CG 3.23Å; V130-N134 PolarHBondContact O-N 2.84Å; V130-N134 PolarHBondContact O-ND2 3.39Å
131	A	94.9	Very high	93.9	Very high	31 Å²	31	43.3 Å²	43.3	26%	0.256	24%	0.243	S	C	.	.	H	α-helix	trans	-60.7	-40.5	176.1	0	0	0	0	0	112.5	V106 V108 G127 V128 F135	V106-A131 HydrophobicContact CG1-CB 4.01Å; V108-A131 HydrophobicContact CG2-CB 4.36Å; G127-A131 WeakPolarHBondContact O-CB 3.42Å; G127-A131 PolarHBondContact O-N 2.98Å; V128-A131 PolarHBondContact O-N 3.32Å; A131-F135 PolarHBondContact O-N 3.41Å; A131-F135 VanDerWaalsContact O-N 3.14Å
132	C	95.8	Very high	93.8	Very high	0 Å²	0	43 Å²	43	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-68.8	-40.3	175.3	-64.9	0	0	0	0	112.3	V108 V113 L117 V128 K129 V130 F135 L136	V108-C132 HydrophobicContact CG1-CB 4.48Å; V113-C132 HydrophobicContact CG2-CB 4Å; L117-C132 HydrophobicContact CB-CB 4.21Å; L117-C132 HydrophobicContact CD1-CB 3.52Å; L117-C132 HydrophobicContact CG-CB 4.48Å; V128-C132 WeakPolarHBondContact O-CB 3.27Å; V128-C132 PolarHBondContact O-N 2.93Å; V128-C132 PolarHBondContact O-SG 3.03Å; K129-C132 PolarHBondContact O-N 3.39Å; V130-C132 VanDerWaalsContact C-N 3.32Å; V130-C132 PolarHBondContact O-N 3.35Å; C132-F135 PolarHBondContact O-N 2.95Å; C132-L136 WeakPolarHBondContact O-CG 3.45Å; C132-L136 PolarHBondContact O-N 3.42Å
133	S	94.6	Very high	93.9	Very high	14 Å²	14	43.3 Å²	43.3	10%	0.098	25%	0.246	C	C	.	.	H	α-helix	trans	-64.4	-40.6	176.9	-57.2	0	0	0	0	111.8	K129 V130 F135 L136 L137	K129-S133 WeakPolarHBondContact O-CB 3.39Å; K129-S133 PolarHBondContact O-N 3.38Å; K129-S133 PolarHBondContact O-OG 2.88Å; V130-S133 PolarHBondContact O-N 3.23Å; S133-F135 VanDerWaalsContact C-N 3.35Å; S133-L136 PolarHBondContact O-N 3.39Å; S133-L137 WeakPolarHBondContact O-CG 3.2Å; S133-L137 PolarHBondContact O-N 2.96Å
134	N	93.6	Very high	93.9	Very high	64 Å²	64	44.6 Å²	44.6	34%	0.342	25%	0.253	S	S	.	.	H	α-helix	trans	-66.4	-34.8	175.7	-69.7	-15.3	0	0	0	112.7	V130 T138	V130-N134 WeakPolarHBondContact O-CB 3.35Å; V130-N134 VanDerWaalsContact O-CG 3.23Å; V130-N134 PolarHBondContact O-N 2.84Å; V130-N134 PolarHBondContact O-ND2 3.39Å; N134-T138 PolarHBondContact O-N 3.17Å; N134-T138 PolarHBondContact O-OG1 3Å
135	F	95.4	Very high	94	Very high	41 Å²	41	39.8 Å²	39.8	18%	0.18	23%	0.231	C	C	.	.	H	α-helix	trans	-67.1	-41.5	172.5	175.7	-97.6	0	0	0	111.8	V108 M110 V113 A131 C132 S133 T138 E139	V108-F135 HydrophobicContact CB-CB 4.11Å; V108-F135 HydrophobicContact CB-CG 4.13Å; V108-F135 HydrophobicContact CG1-CB 3.72Å; V108-F135 HydrophobicContact CG1-CD1 3.6Å; V108-F135 HydrophobicContact CG1-CD2 4.41Å; V108-F135 HydrophobicContact CG1-CE1 4.38Å; V108-F135 HydrophobicContact CG1-CG 3.62Å; M110-F135 HydrophobicContact CE-CE1 4.47Å; M110-F135 HydrophobicContact CG-CE1 4.25Å; M110-F135 HydrophobicContact CG-CZ 4.07Å; M110-F135 HydrophobicContact SD-CE1 3.93Å; M110-F135 HydrophobicContact SD-CZ 4.27Å; V113-F135 HydrophobicContact CB-CD1 4.22Å; V113-F135 HydrophobicContact CB-CE1 4.39Å; V113-F135 HydrophobicContact CG1-CD1 4.38Å; V113-F135 HydrophobicContact CG1-CE1 4.2Å; V113-F135 HydrophobicContact CG2-CD1 4.14Å; A131-F135 PolarHBondContact O-N 3.41Å; A131-F135 VanDerWaalsContact O-N 3.14Å; C132-F135 PolarHBondContact O-N 2.95Å; S133-F135 VanDerWaalsContact C-N 3.35Å; F135-T138 PolarHBondContact O-N 3.38Å; F135-T138 PolarHBondContact O-OG1 2.95Å; F135-E139 HydrophobicContact CE1-CG 4.3Å; F135-E139 HydrophobicContact CE2-CG 4.18Å; F135-E139 HydrophobicContact CZ-CG 3.99Å; F135-E139 VanDerWaalsContact O-CG 3.29Å; F135-E139 WeakPolarHBondContact O-CG 3.39Å
136	L	95.1	Very high	94.1	Very high	8 Å²	8	40.3 Å²	40.3	4%	0.042	23%	0.233	C	C	.	.	H	α-helix	trans	-65.7	-37.6	175.3	-68.6	169.8	0	0	0	111.9	V113 L117 C132 S133 T138 E139 V140 I148 F151 L160	V113-L136 HydrophobicContact CG1-CD2 4.13Å; V113-L136 HydrophobicContact CG2-CD1 4.15Å; V113-L136 HydrophobicContact CG2-CD2 4.11Å; V113-L136 HydrophobicContact CG2-CG 3.98Å; L117-L136 HydrophobicContact CD2-CD1 4.47Å; C132-L136 WeakPolarHBondContact O-CG 3.45Å; C132-L136 PolarHBondContact O-N 3.42Å; S133-L136 PolarHBondContact O-N 3.39Å; L136-T138 VanDerWaalsContact C-N 3.26Å; L136-T138 PolarHBondContact O-N 3.34Å; L136-E139 PolarHBondContact O-N 3.36Å; L136-E139 VanDerWaalsContact O-N 3.14Å; L136-V140 WeakPolarHBondContact O-CG2 3.42Å; L136-V140 PolarHBondContact O-N 3Å; L136-I148 HydrophobicContact CB-CG2 4.15Å; L136-I148 HydrophobicContact CD2-CD1 4.26Å; L136-F151 HydrophobicContact CD1-CD1 3.98Å; L136-F151 HydrophobicContact CD1-CE1 4.12Å; L136-L160 HydrophobicContact CB-CD1 3.99Å; L136-L160 HydrophobicContact CB-CD2 3.81Å; L136-L160 HydrophobicContact CD1-CD2 3.7Å; L136-L160 HydrophobicContact CG-CD2 4.41Å
137	L	93.1	Very high	94.1	Very high	33 Å²	33	36.7 Å²	36.7	17%	0.173	22%	0.223	C	C	.	.	H	α-helix	trans	-58.2	-34	175	-78.4	174.6	0	0	0	113.4	S133 E139 L160 F163 L593	S133-L137 WeakPolarHBondContact O-CG 3.2Å; S133-L137 PolarHBondContact O-N 2.96Å; L137-E139 VanDerWaalsContact C-N 3.31Å; L137-L160 HydrophobicContact CD2-CD1 3.7Å; L137-L160 HydrophobicContact CG-CD1 3.87Å; L137-F163 HydrophobicContact CD2-CB 3.61Å; L137-F163 HydrophobicContact CD2-CD1 3.42Å; L137-F163 VanDerWaalsContact CD2-CD1 3.42Å; L137-F163 HydrophobicContact CD2-CD2 4.28Å; L137-F163 HydrophobicContact CD2-CE1 4.16Å; L137-F163 HydrophobicContact CD2-CG 3.49Å; L137-F163 VanDerWaalsContact CD2-CG 3.49Å; L137-L593 HydrophobicContact CD1-CD2 4.35Å
138	T	93.1	Very high	94.2	Very high	93 Å²	93	35.6 Å²	35.6	57%	0.571	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-11	179.1	44.8	0	0	0	0	114.3	N134 F135 L136	N134-T138 PolarHBondContact O-N 3.17Å; N134-T138 PolarHBondContact O-OG1 3Å; F135-T138 PolarHBondContact O-N 3.38Å; F135-T138 PolarHBondContact O-OG1 2.95Å; L136-T138 VanDerWaalsContact C-N 3.26Å; L136-T138 PolarHBondContact O-N 3.34Å
139	E	92.7	Very high	94.2	Very high	83 Å²	83	36.9 Å²	36.9	39%	0.388	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-122.3	13.9	-170.8	-51.9	-84.6	141.6	0	0	112.5	M110 F135 L136 L137 N144	M110-E139 HydrophobicContact CE-CB 3.42Å; M110-E139 VanDerWaalsContact CE-CB 3.42Å; M110-E139 HydrophobicContact CE-CG 3.75Å; M110-E139 WeakPolarHBondContact CE-OE2 3.49Å; F135-E139 HydrophobicContact CE1-CG 4.3Å; F135-E139 HydrophobicContact CE2-CG 4.18Å; F135-E139 HydrophobicContact CZ-CG 3.99Å; F135-E139 VanDerWaalsContact O-CG 3.29Å; F135-E139 WeakPolarHBondContact O-CG 3.39Å; L136-E139 PolarHBondContact O-N 3.36Å; L136-E139 VanDerWaalsContact O-N 3.14Å; L137-E139 VanDerWaalsContact C-N 3.31Å; E139-N144 PolarHBondContact O-ND2 3.09Å
140	V	93.3	Very high	94.1	Very high	20 Å²	20	42.4 Å²	42.4	12%	0.121	23%	0.233	C	C	.	.			trans	-72.2	128.5	176.9	-174.9	0	0	0	0	110.9	L136 N144 V145 I148 F163 T164 F167	L136-V140 WeakPolarHBondContact O-CG2 3.42Å; L136-V140 PolarHBondContact O-N 3Å; V140-N144 WeakPolarHBondContact CA-OD1 3.02Å; V140-V145 HydrophobicContact CG1-CB 3.85Å; V140-V145 HydrophobicContact CG1-CG2 3.83Å; V140-I148 HydrophobicContact CG2-CD1 4.32Å; V140-F163 HydrophobicContact CB-CE1 4.02Å; V140-F163 HydrophobicContact CG1-CE1 4.34Å; V140-F163 HydrophobicContact CG2-CD1 4.09Å; V140-F163 HydrophobicContact CG2-CE1 3.82Å; V140-T164 HydrophobicContact CG1-CG2 4.19Å; V140-T164 HydrophobicContact CG2-CG2 4.03Å; V140-F167 HydrophobicContact CG1-CB 4.47Å; V140-F167 HydrophobicContact CG1-CD1 4.05Å; V140-F167 HydrophobicContact CG1-CD2 4.06Å; V140-F167 HydrophobicContact CG1-CE1 4.29Å; V140-F167 HydrophobicContact CG1-CE2 4.29Å; V140-F167 HydrophobicContact CG1-CG 3.95Å; V140-F167 HydrophobicContact CG1-CZ 4.41Å
141	D	93.4	Very high	94.1	Very high	66 Å²	66	41.4 Å²	41.4	35%	0.353	22%	0.224	S	C	.	.			trans	-134.4	171.8	172.6	70.7	51.2	0	0	0	111.8	T143 N144 V145	D141-T143 PolarHBondContact O-N 2.91Å; D141-T143 VanDerWaalsContact OD1-CA 3.27Å; D141-T143 WeakPolarHBondContact OD1-CA 3.46Å; D141-T143 WeakPolarHBondContact OD1-CB 3.46Å; D141-T143 PolarHBondContact OD1-N 3.25Å; D141-T143 PolarHBondContact OD1-OG1 3.15Å; D141-N144 PolarHBondContact N-ND2 3.21Å; D141-N144 PolarHBondContact N-OD1 3.01Å; D141-N144 PolarHBondContact O-N 2.89Å; D141-N144 PolarHBondContact O-OD1 3.37Å; D141-N144 PolarHBondContact OD1-N 2.84Å; D141-N144 PolarHBondContact OD1-ND2 3.02Å; D141-N144 PolarHBondContact OD2-ND2 2.71Å; D141-V145 VanDerWaalsContact O-CB 3.28Å; D141-V145 WeakPolarHBondContact O-CB 3.11Å; D141-V145 PolarHBondContact O-N 3.2Å
142	S	92.3	Very high	94.1	Very high	34 Å²	34	39.9 Å²	39.9	24%	0.238	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-10.3	-177.3	58.8	0	0	0	0	114.8
143	T	93.9	Very high	93.9	Very high	87 Å²	87	43 Å²	43	53%	0.534	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.4	-22.5	177.2	73.6	0	0	0	0	113.1	D141	D141-T143 PolarHBondContact O-N 2.91Å; D141-T143 VanDerWaalsContact OD1-CA 3.27Å; D141-T143 WeakPolarHBondContact OD1-CA 3.46Å; D141-T143 WeakPolarHBondContact OD1-CB 3.46Å; D141-T143 PolarHBondContact OD1-N 3.25Å; D141-T143 PolarHBondContact OD1-OG1 3.15Å
144	N	93.7	Very high	93.8	Very high	29 Å²	29	48.2 Å²	48.2	16%	0.155	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.4	-12.4	-175.5	77.4	31.3	0	0	0	114.7	E139 V140 D141 L146 G147 I148	E139-N144 PolarHBondContact O-ND2 3.09Å; V140-N144 WeakPolarHBondContact CA-OD1 3.02Å; D141-N144 PolarHBondContact N-ND2 3.21Å; D141-N144 PolarHBondContact N-OD1 3.01Å; D141-N144 PolarHBondContact O-N 2.89Å; D141-N144 PolarHBondContact O-OD1 3.37Å; D141-N144 PolarHBondContact OD1-N 2.84Å; D141-N144 PolarHBondContact OD1-ND2 3.02Å; D141-N144 PolarHBondContact OD2-ND2 2.71Å; N144-L146 PolarHBondContact O-N 3.31Å; N144-L146 VanDerWaalsContact O-N 3.16Å; N144-G147 PolarHBondContact O-N 2.63Å; N144-I148 HydrophobicContact CB-CD1 4.4Å; N144-I148 WeakPolarHBondContact O-CG1 3.35Å; N144-I148 PolarHBondContact O-N 2.99Å; N144-I148 WeakPolarHBondContact OD1-CD1 3.5Å
145	V	95.9	Very high	93.6	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-58.6	-31.3	-172	61.5	0	0	0	0	113.8	V140 D141 R149 T164 F167 A168 V175	V140-V145 HydrophobicContact CG1-CB 3.85Å; V140-V145 HydrophobicContact CG1-CG2 3.83Å; D141-V145 VanDerWaalsContact O-CB 3.28Å; D141-V145 WeakPolarHBondContact O-CB 3.11Å; D141-V145 PolarHBondContact O-N 3.2Å; V145-R149 WeakPolarHBondContact O-CB 3.46Å; V145-R149 PolarHBondContact O-N 3.45Å; V145-T164 HydrophobicContact CG2-CG2 4.09Å; V145-T164 VanDerWaalsContact CG2-O 3.23Å; V145-T164 WeakPolarHBondContact CG2-O 3.46Å; V145-F167 HydrophobicContact CB-CD1 4Å; V145-F167 HydrophobicContact CG1-CD1 4.25Å; V145-F167 HydrophobicContact CG2-CB 3.99Å; V145-F167 HydrophobicContact CG2-CD1 3.8Å; V145-F167 HydrophobicContact CG2-CG 4.22Å; V145-A168 HydrophobicContact CG1-CB 4.31Å; V145-A168 HydrophobicContact CG2-CB 4.2Å; V145-V175 HydrophobicContact CG1-CG1 4.27Å; V145-V175 HydrophobicContact CG1-CG2 3.7Å
146	L	95.9	Very high	93.4	Very high	15 Å²	15	50 Å²	50	8%	0.079	26%	0.263	C	S	.	.	H	α-helix	trans	-76.9	-42.8	-177.9	-57.8	176.4	0	0	0	110.7	N144 R149 R150 A168 V175 E180 F181 L184	N144-L146 PolarHBondContact O-N 3.31Å; N144-L146 VanDerWaalsContact O-N 3.16Å; L146-R149 PolarHBondContact O-N 3.17Å; L146-R150 WeakPolarHBondContact O-CB 3.09Å; L146-R150 PolarHBondContact O-N 3.12Å; L146-A168 HydrophobicContact CD2-CB 4.13Å; L146-V175 HydrophobicContact CD1-CG1 3.76Å; L146-V175 HydrophobicContact CD2-CG1 4.02Å; L146-V175 HydrophobicContact CG-CG1 3.93Å; L146-E180 HydrophobicContact CB-CB 4.06Å; L146-E180 WeakPolarHBondContact CB-OE2 3.34Å; L146-E180 HydrophobicContact CD1-CB 4.04Å; L146-E180 PolarHBondContact N-OE2 2.89Å; L146-F181 HydrophobicContact CD1-CB 4.03Å; L146-F181 HydrophobicContact CD1-CD2 4.42Å; L146-L184 HydrophobicContact CB-CD2 4.45Å; L146-L184 HydrophobicContact CD1-CD1 4.14Å; L146-L184 HydrophobicContact CD1-CD2 4.12Å; L146-L184 HydrophobicContact CD1-CG 4.21Å; L146-L184 HydrophobicContact CD2-CD2 4.37Å
147	G	93.5	Very high	93.3	Very high	27 Å²	27	50 Å²	50	28%	0.278	26%	0.264	S	S	.	.	H	α-helix	trans	-60.4	-47.2	170.6	0	0	0	0	0	112.2	N144 R150 F151 E180	N144-G147 PolarHBondContact O-N 2.63Å; G147-R150 PolarHBondContact O-N 2.86Å; G147-F151 VanDerWaalsContact O-CB 3.29Å; G147-F151 WeakPolarHBondContact O-CB 3.46Å; G147-F151 PolarHBondContact O-N 2.74Å; G147-E180 WeakPolarHBondContact CA-OE1 3.37Å; G147-E180 PolarHBondContact N-OE1 3.48Å; G147-E180 PolarHBondContact N-OE2 3.16Å
148	I	94.8	Very high	93.2	Very high	16 Å²	16	52.5 Å²	52.5	8%	0.082	28%	0.28	C	S	.	.	H	α-helix	trans	-65.3	-39.5	176.8	-60.3	-178.8	0	0	0	111.2	L136 V140 N144 F151 A152 L160 T164	L136-I148 HydrophobicContact CB-CG2 4.15Å; L136-I148 HydrophobicContact CD2-CD1 4.26Å; V140-I148 HydrophobicContact CG2-CD1 4.32Å; N144-I148 HydrophobicContact CB-CD1 4.4Å; N144-I148 WeakPolarHBondContact O-CG1 3.35Å; N144-I148 PolarHBondContact O-N 2.99Å; N144-I148 WeakPolarHBondContact OD1-CD1 3.5Å; I148-F151 PolarHBondContact O-N 3.15Å; I148-A152 WeakPolarHBondContact O-CB 3.43Å; I148-A152 PolarHBondContact O-N 2.75Å; I148-L160 HydrophobicContact CG2-CD1 3.89Å; I148-L160 HydrophobicContact CG2-CD2 4.03Å; I148-L160 HydrophobicContact CG2-CG 4.13Å; I148-T164 HydrophobicContact CB-CG2 4.16Å; I148-T164 HydrophobicContact CG2-CG2 3.8Å
149	R	95	Very high	93.2	Very high	28 Å²	28	53.7 Å²	53.7	11%	0.106	28%	0.279	C	S	.	.	H	α-helix	trans	-56.4	-54.5	173.1	179.4	-171.5	161.3	164.4	1.1	110.8	V145 L146 F151 A152 E153 T164 D191	V145-R149 WeakPolarHBondContact O-CB 3.46Å; V145-R149 PolarHBondContact O-N 3.45Å; L146-R149 PolarHBondContact O-N 3.17Å; R149-F151 VanDerWaalsContact C-N 3.28Å; R149-F151 PolarHBondContact O-N 3.19Å; R149-A152 WeakPolarHBondContact O-CA 3.29Å; R149-A152 WeakPolarHBondContact O-CB 3.48Å; R149-A152 PolarHBondContact O-N 2.89Å; R149-E153 IonicContact CZ-OE1 2.73Å; R149-E153 VanDerWaalsContact CZ-OE1 3.26Å; R149-E153 IonicContact NE-OE1 3.52Å; R149-E153 PolarHBondContact NE-OE1 2.92Å; R149-E153 IonicContact NH2-OE1 2.93Å; R149-E153 PolarHBondContact NH2-OE1 3.46Å; R149-E153 PolarHBondContact O-N 3.22Å; R149-T164 WeakPolarHBondContact CA-OG1 3.47Å; R149-T164 WeakPolarHBondContact CB-OG1 3.35Å; R149-D191 IonicContact CZ-OD2 2.86Å; R149-D191 VanDerWaalsContact CZ-OD2 3.25Å; R149-D191 IonicContact NH1-OD2 2.87Å; R149-D191 PolarHBondContact NH1-OD2 3.39Å; R149-D191 IonicContact NH2-OD2 3.81Å; R149-D191 PolarHBondContact NH2-OD2 2.97Å
150	R	93.2	Very high	93.2	Very high	138 Å²	138	49.9 Å²	49.9	52%	0.521	26%	0.261	S	S	.	.	H	α-helix	trans	-63.5	-34.4	-177.8	-173.6	170.6	176.7	165.6	0.4	112.6	L146 G147 L154	L146-R150 WeakPolarHBondContact O-CB 3.09Å; L146-R150 PolarHBondContact O-N 3.12Å; G147-R150 PolarHBondContact O-N 2.86Å; R150-L154 WeakPolarHBondContact O-CB 3.15Å; R150-L154 PolarHBondContact O-N 2.91Å
151	F	92.4	Very high	93.3	Very high	42 Å²	42	50.6 Å²	50.6	18%	0.184	26%	0.263	C	S	.	.	H	α-helix	trans	-68.1	-38.1	172.8	-167.1	-123.7	0	0	0	111.9	L117 P118 L136 G147 I148 R149 H155	L117-F151 HydrophobicContact CB-CE1 3.94Å; L117-F151 HydrophobicContact CB-CZ 4Å; L117-F151 HydrophobicContact CD2-CD1 3.7Å; L117-F151 HydrophobicContact CD2-CE1 3.33Å; L117-F151 HydrophobicContact CD2-CZ 3.88Å; L117-F151 HydrophobicContact CG-CE1 4.25Å; P118-F151 HydrophobicContact CG-CE2 4Å; P118-F151 HydrophobicContact CG-CZ 4.03Å; L136-F151 HydrophobicContact CD1-CD1 3.98Å; L136-F151 HydrophobicContact CD1-CE1 4.12Å; G147-F151 VanDerWaalsContact O-CB 3.29Å; G147-F151 WeakPolarHBondContact O-CB 3.46Å; G147-F151 PolarHBondContact O-N 2.74Å; I148-F151 PolarHBondContact O-N 3.15Å; R149-F151 VanDerWaalsContact C-N 3.28Å; R149-F151 PolarHBondContact O-N 3.19Å; F151-H155 AromaticContact CD2-CD2 3.72Å; F151-H155 AromaticContact CD2-NE2 3.85Å; F151-H155 AromaticContact CE2-CD2 3.64Å; F151-H155 AromaticContact CE2-NE2 3.53Å; F151-H155 PolarHBondContact O-CD2 2.95Å; F151-H155 VanDerWaalsContact O-CD2 3.23Å; F151-H155 PolarHBondContact O-N 2.87Å
152	A	94.7	Very high	93.3	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-67.8	-40.9	174.5	0	0	0	0	0	112.6	I148 R149 H155 N156 C157 L160 E161	I148-A152 WeakPolarHBondContact O-CB 3.43Å; I148-A152 PolarHBondContact O-N 2.75Å; R149-A152 WeakPolarHBondContact O-CA 3.29Å; R149-A152 WeakPolarHBondContact O-CB 3.48Å; R149-A152 PolarHBondContact O-N 2.89Å; A152-H155 PolarHBondContact O-N 3.04Å; A152-N156 PolarHBondContact O-N 3.06Å; A152-C157 HydrophobicContact CB-CB 4.02Å; A152-C157 PolarHBondContact O-N 3.47Å; A152-L160 HydrophobicContact CB-CB 4.06Å; A152-L160 HydrophobicContact CB-CD2 3.81Å; A152-L160 HydrophobicContact CB-CG 3.76Å; A152-E161 HydrophobicContact CB-CB 3.95Å
153	E	93.1	Very high	93.3	Very high	66 Å²	66	52.2 Å²	52.2	31%	0.308	26%	0.263	S	S	.	.	H	α-helix	trans	-59.6	-50.9	172.7	-71.1	178.5	-177.1	0	0	110.7	R149 H155 N156 E161	R149-E153 IonicContact CZ-OE1 2.73Å; R149-E153 VanDerWaalsContact CZ-OE1 3.26Å; R149-E153 IonicContact NE-OE1 3.52Å; R149-E153 PolarHBondContact NE-OE1 2.92Å; R149-E153 IonicContact NH2-OE1 2.93Å; R149-E153 PolarHBondContact NH2-OE1 3.46Å; R149-E153 PolarHBondContact O-N 3.22Å; E153-H155 PolarHBondContact O-N 2.85Å; E153-N156 PolarHBondContact O-N 3.06Å; E153-N156 VanDerWaalsContact O-N 3.15Å; E153-E161 HydrophobicContact CG-CG 3.6Å
154	L	91.8	Very high	93.4	Very high	123 Å²	123	48.1 Å²	48.1	64%	0.644	24%	0.238	S	C	*	.	H	α-helix	trans	-57.6	-33.3	-179.2	-176.8	62.4	0	0	0	113.7	R150	R150-L154 WeakPolarHBondContact O-CB 3.15Å; R150-L154 PolarHBondContact O-N 2.91Å
155	H	90.5	Very high	93.3	Very high	24 Å²	24	50 Å²	50	11%	0.111	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.5	11.2	-178.4	-63.3	-57	0	0	0	114.3	L117 K129 F151 A152 E153 C157	L117-H155 HydrophobicContact CD2-CB 3.97Å; L117-H155 HydrophobicContact CG-CB 4.38Å; K129-H155 WeakPolarHBondContact CE-O 3.36Å; K129-H155 PolarHBondContact NZ-O 2.97Å; F151-H155 AromaticContact CD2-CD2 3.72Å; F151-H155 AromaticContact CD2-NE2 3.85Å; F151-H155 AromaticContact CE2-CD2 3.64Å; F151-H155 AromaticContact CE2-NE2 3.53Å; F151-H155 PolarHBondContact O-CD2 2.95Å; F151-H155 VanDerWaalsContact O-CD2 3.23Å; F151-H155 PolarHBondContact O-N 2.87Å; A152-H155 PolarHBondContact O-N 3.04Å; E153-H155 PolarHBondContact O-N 2.85Å; H155-C157 VanDerWaalsContact C-N 3.35Å; H155-C157 PolarHBondContact O-N 2.69Å
156	N	90.5	Very high	93	Very high	119 Å²	119	52.9 Å²	52.9	64%	0.636	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.5	50.5	-178.9	-62.9	-90.1	0	0	0	112.4	K129 A152 E153 V158	K129-N156 PolarHBondContact NZ-O 3.38Å; A152-N156 PolarHBondContact O-N 3.06Å; E153-N156 PolarHBondContact O-N 3.06Å; E153-N156 VanDerWaalsContact O-N 3.15Å; N156-V158 PolarHBondContact O-N 3.39Å
157	C	92.1	Very high	92.8	Very high	8 Å²	8	53.4 Å²	53.4	5%	0.054	26%	0.259	C	S	.	.			trans	-96.9	65.5	175.3	-64.4	0	0	0	0	110.4	K129 A152 H155 E159 L160 E161	K129-C157 WeakPolarHBondContact CE-SG 3.28Å; A152-C157 HydrophobicContact CB-CB 4.02Å; A152-C157 PolarHBondContact O-N 3.47Å; H155-C157 VanDerWaalsContact C-N 3.35Å; H155-C157 PolarHBondContact O-N 2.69Å; C157-E159 VanDerWaalsContact C-N 3.32Å; C157-E159 PolarHBondContact O-N 3.4Å; C157-E159 VanDerWaalsContact O-N 3.11Å; C157-L160 HydrophobicContact CB-CB 4.13Å; C157-L160 HydrophobicContact CB-CD2 4.42Å; C157-L160 WeakPolarHBondContact O-CB 3.39Å; C157-L160 PolarHBondContact O-N 2.69Å; C157-E161 PolarHBondContact O-N 2.97Å
158	V	92.5	Very high	92.7	Very high	85 Å²	85	52.1 Å²	52.1	52%	0.515	25%	0.247	S	C	.	.	H	α-helix	trans	-50.5	-40.8	-165.5	-177.2	0	0	0	0	114.8	N156 K162	N156-V158 PolarHBondContact O-N 3.39Å; V158-K162 WeakPolarHBondContact O-CB 3.44Å; V158-K162 PolarHBondContact O-N 2.61Å
159	E	91.3	Very high	92.5	Very high	117 Å²	117	51.4 Å²	51.4	55%	0.547	24%	0.243	S	C	.	.	H	α-helix	trans	-75.6	-31.7	179.8	-67.2	-62	143.5	0	0	113	C157 K162 F163	C157-E159 VanDerWaalsContact C-N 3.32Å; C157-E159 PolarHBondContact O-N 3.4Å; C157-E159 VanDerWaalsContact O-N 3.11Å; E159-K162 IonicContact OE1-NZ 2.63Å; E159-K162 PolarHBondContact OE1-NZ 3.15Å; E159-K162 IonicContact OE2-NZ 2.74Å; E159-K162 PolarHBondContact OE2-NZ 3.35Å; E159-F163 VanDerWaalsContact O-CB 3.31Å; E159-F163 WeakPolarHBondContact O-CB 3.47Å; E159-F163 PolarHBondContact O-N 3.06Å
160	L	94.7	Very high	91.9	Very high	3 Å²	3	50.5 Å²	50.5	2%	0.016	24%	0.241	C	C	.	.	H	α-helix	trans	-70.7	-41	172.5	175.2	64.8	0	0	0	111	L136 L137 I148 A152 C157 F163 T164	L136-L160 HydrophobicContact CB-CD1 3.99Å; L136-L160 HydrophobicContact CB-CD2 3.81Å; L136-L160 HydrophobicContact CD1-CD2 3.7Å; L136-L160 HydrophobicContact CG-CD2 4.41Å; L137-L160 HydrophobicContact CD2-CD1 3.7Å; L137-L160 HydrophobicContact CG-CD1 3.87Å; I148-L160 HydrophobicContact CG2-CD1 3.89Å; I148-L160 HydrophobicContact CG2-CD2 4.03Å; I148-L160 HydrophobicContact CG2-CG 4.13Å; A152-L160 HydrophobicContact CB-CB 4.06Å; A152-L160 HydrophobicContact CB-CD2 3.81Å; A152-L160 HydrophobicContact CB-CG 3.76Å; C157-L160 HydrophobicContact CB-CB 4.13Å; C157-L160 HydrophobicContact CB-CD2 4.42Å; C157-L160 WeakPolarHBondContact O-CB 3.39Å; C157-L160 PolarHBondContact O-N 2.69Å; L160-F163 PolarHBondContact O-N 3.42Å; L160-T164 HydrophobicContact CD1-CG2 4.14Å; L160-T164 WeakPolarHBondContact O-CB 3.37Å; L160-T164 WeakPolarHBondContact O-CG2 3.47Å; L160-T164 PolarHBondContact O-N 3.47Å; L160-T164 PolarHBondContact O-OG1 3.46Å
161	E	94.6	Very high	91.5	Very high	35 Å²	35	46 Å²	46	16%	0.164	23%	0.227	C	C	.	.	H	α-helix	trans	-58.8	-52.9	172.6	-179.9	-127.2	119.7	0	0	111.1	A152 E153 C157 F163 T164 R165	A152-E161 HydrophobicContact CB-CB 3.95Å; E153-E161 HydrophobicContact CG-CG 3.6Å; C157-E161 PolarHBondContact O-N 2.97Å; E161-F163 VanDerWaalsContact C-N 3.32Å; E161-F163 PolarHBondContact O-N 3.31Å; E161-T164 PolarHBondContact O-N 3.19Å; E161-T164 PolarHBondContact O-OG1 3.33Å; E161-R165 WeakPolarHBondContact O-CB 3.49Å; E161-R165 PolarHBondContact O-N 3.07Å; E161-R165 IonicContact OE1-CZ 2.74Å; E161-R165 IonicContact OE1-NE 2.69Å; E161-R165 PolarHBondContact OE1-NE 3Å; E161-R165 IonicContact OE1-NH2 3.44Å; E161-R165 PolarHBondContact OE1-NH2 3.13Å
162	K	92.5	Very high	91.5	Very high	89 Å²	89	44.1 Å²	44.1	39%	0.387	22%	0.219	S	C	.	.	H	α-helix	trans	-60	-38	177.1	174.9	179.5	157.3	-146.8	0	112.8	V158 E159 N166	V158-K162 WeakPolarHBondContact O-CB 3.44Å; V158-K162 PolarHBondContact O-N 2.61Å; E159-K162 IonicContact OE1-NZ 2.63Å; E159-K162 PolarHBondContact OE1-NZ 3.15Å; E159-K162 IonicContact OE2-NZ 2.74Å; E159-K162 PolarHBondContact OE2-NZ 3.35Å; K162-N166 WeakPolarHBondContact O-CB 3.25Å; K162-N166 VanDerWaalsContact O-CG 3.3Å; K162-N166 PolarHBondContact O-N 3.28Å; K162-N166 PolarHBondContact O-ND2 2.94Å
163	F	92.8	Very high	91.2	Very high	46 Å²	46	47.3 Å²	47.3	20%	0.202	23%	0.234	C	C	.	.	H	α-helix	trans	-66	-54.7	174.2	179.7	-99.3	0	0	0	111.8	L137 V140 E159 L160 E161 R165 N166 F167 V588	L137-F163 HydrophobicContact CD2-CB 3.61Å; L137-F163 HydrophobicContact CD2-CD1 3.42Å; L137-F163 VanDerWaalsContact CD2-CD1 3.42Å; L137-F163 HydrophobicContact CD2-CD2 4.28Å; L137-F163 HydrophobicContact CD2-CE1 4.16Å; L137-F163 HydrophobicContact CD2-CG 3.49Å; L137-F163 VanDerWaalsContact CD2-CG 3.49Å; V140-F163 HydrophobicContact CB-CE1 4.02Å; V140-F163 HydrophobicContact CG1-CE1 4.34Å; V140-F163 HydrophobicContact CG2-CD1 4.09Å; V140-F163 HydrophobicContact CG2-CE1 3.82Å; E159-F163 VanDerWaalsContact O-CB 3.31Å; E159-F163 WeakPolarHBondContact O-CB 3.47Å; E159-F163 PolarHBondContact O-N 3.06Å; L160-F163 PolarHBondContact O-N 3.42Å; E161-F163 VanDerWaalsContact C-N 3.32Å; E161-F163 PolarHBondContact O-N 3.31Å; F163-R165 PolarHBondContact O-N 2.71Å; F163-N166 PolarHBondContact O-N 3.25Å; F163-N166 VanDerWaalsContact O-N 3.12Å; F163-F167 HydrophobicContact CE1-CD2 4.21Å; F163-F167 HydrophobicContact CZ-CD2 4.19Å; F163-F167 PolarHBondContact O-N 3.05Å; F163-V588 HydrophobicContact CE2-CG2 3.67Å; F163-V588 HydrophobicContact CZ-CG2 3.97Å
164	T	95.1	Very high	91.1	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-63	-41	-179.4	48.7	0	0	0	0	112.7	V140 V145 I148 R149 L160 E161 N166 F167 A168	V140-T164 HydrophobicContact CG1-CG2 4.19Å; V140-T164 HydrophobicContact CG2-CG2 4.03Å; V145-T164 HydrophobicContact CG2-CG2 4.09Å; V145-T164 VanDerWaalsContact CG2-O 3.23Å; V145-T164 WeakPolarHBondContact CG2-O 3.46Å; I148-T164 HydrophobicContact CB-CG2 4.16Å; I148-T164 HydrophobicContact CG2-CG2 3.8Å; R149-T164 WeakPolarHBondContact CA-OG1 3.47Å; R149-T164 WeakPolarHBondContact CB-OG1 3.35Å; L160-T164 HydrophobicContact CD1-CG2 4.14Å; L160-T164 WeakPolarHBondContact O-CB 3.37Å; L160-T164 WeakPolarHBondContact O-CG2 3.47Å; L160-T164 PolarHBondContact O-N 3.47Å; L160-T164 PolarHBondContact O-OG1 3.46Å; E161-T164 PolarHBondContact O-N 3.19Å; E161-T164 PolarHBondContact O-OG1 3.33Å; T164-N166 VanDerWaalsContact C-N 3.26Å; T164-N166 PolarHBondContact O-N 3.02Å; T164-F167 PolarHBondContact O-N 3.42Å; T164-F167 VanDerWaalsContact O-N 3.16Å; T164-A168 WeakPolarHBondContact O-CB 3.3Å; T164-A168 PolarHBondContact O-N 3.33Å
165	R	92.6	Very high	91.2	Very high	70 Å²	70	41 Å²	41	26%	0.264	21%	0.208	S	C	.	.	H	α-helix	trans	-61.2	-31.3	173.6	179.4	157.9	54.3	85.6	-4.4	112.9	E161 F163 R195	E161-R165 WeakPolarHBondContact O-CB 3.49Å; E161-R165 PolarHBondContact O-N 3.07Å; E161-R165 IonicContact OE1-CZ 2.74Å; E161-R165 IonicContact OE1-NE 2.69Å; E161-R165 PolarHBondContact OE1-NE 3Å; E161-R165 IonicContact OE1-NH2 3.44Å; E161-R165 PolarHBondContact OE1-NH2 3.13Å; F163-R165 PolarHBondContact O-N 2.71Å; R165-R195 PolarHBondContact O-NH1 3.45Å
166	N	89.7	Confident	91.4	Very high	59 Å²	59	40.8 Å²	40.8	32%	0.316	21%	0.207	S	C	.	.	H	α-helix	trans	-78.6	-44.2	169.9	-73.2	-11.1	0	0	0	111.6	K162 F163 T164 A168 A169 C170 R195	K162-N166 WeakPolarHBondContact O-CB 3.25Å; K162-N166 VanDerWaalsContact O-CG 3.3Å; K162-N166 PolarHBondContact O-N 3.28Å; K162-N166 PolarHBondContact O-ND2 2.94Å; F163-N166 PolarHBondContact O-N 3.25Å; F163-N166 VanDerWaalsContact O-N 3.12Å; T164-N166 VanDerWaalsContact C-N 3.26Å; T164-N166 PolarHBondContact O-N 3.02Å; N166-A168 VanDerWaalsContact C-N 3.29Å; N166-A168 PolarHBondContact O-N 3.39Å; N166-A169 CarbonylContact O-C 3.58Å; N166-A169 WeakPolarHBondContact O-CA 3.25Å; N166-A169 WeakPolarHBondContact O-CB 3.19Å; N166-A169 PolarHBondContact O-N 2.66Å; N166-C170 PolarHBondContact O-N 3.09Å; N166-C170 PolarHBondContact O-SG 2.95Å; N166-R195 PolarHBondContact OD1-NH1 2.87Å; N166-R195 VanDerWaalsContact OD1-NH1 3.1Å; N166-R195 PolarHBondContact OD1-NH2 3.39Å
167	F	91	Very high	91.6	Very high	26 Å²	26	42.2 Å²	42.2	11%	0.114	21%	0.21	C	C	.	.	H	α-helix	trans	-56.2	-41.4	178	-171	-72.5	0	0	0	112.6	V140 V145 F163 T164 A169 C170 N171 C586	V140-F167 HydrophobicContact CG1-CB 4.47Å; V140-F167 HydrophobicContact CG1-CD1 4.05Å; V140-F167 HydrophobicContact CG1-CD2 4.06Å; V140-F167 HydrophobicContact CG1-CE1 4.29Å; V140-F167 HydrophobicContact CG1-CE2 4.29Å; V140-F167 HydrophobicContact CG1-CG 3.95Å; V140-F167 HydrophobicContact CG1-CZ 4.41Å; V145-F167 HydrophobicContact CB-CD1 4Å; V145-F167 HydrophobicContact CG1-CD1 4.25Å; V145-F167 HydrophobicContact CG2-CB 3.99Å; V145-F167 HydrophobicContact CG2-CD1 3.8Å; V145-F167 HydrophobicContact CG2-CG 4.22Å; F163-F167 HydrophobicContact CE1-CD2 4.21Å; F163-F167 HydrophobicContact CZ-CD2 4.19Å; F163-F167 PolarHBondContact O-N 3.05Å; T164-F167 PolarHBondContact O-N 3.42Å; T164-F167 VanDerWaalsContact O-N 3.16Å; F167-A169 VanDerWaalsContact C-N 3.27Å; F167-A169 PolarHBondContact O-N 3.12Å; F167-C170 PolarHBondContact O-N 2.62Å; F167-N171 HydrophobicContact CD1-CB 4.48Å; F167-N171 WeakPolarHBondContact CD1-ND2 3.49Å; F167-N171 HydrophobicContact CE1-CB 4.24Å; F167-N171 WeakPolarHBondContact CE1-ND2 3.37Å; F167-N171 PolarHBondContact O-N 3.14Å; F167-N171 PolarHBondContact O-ND2 3.41Å; F167-C586 WeakPolarHBondContact CA-SG 3.38Å; F167-C586 HydrophobicContact CD2-CB 3.88Å; F167-C586 VanDerWaalsContact CD2-SG 3.52Å; F167-C586 HydrophobicContact CE2-CB 4.33Å
168	A	92.7	Very high	91.7	Very high	1 Å²	1	42.3 Å²	42.3	1%	0.008	21%	0.211	C	C	.	.	H	α-helix	trans	-63.1	-30.8	174.6	0	0	0	0	0	113.2	V145 L146 T164 N166 F172 L192	V145-A168 HydrophobicContact CG1-CB 4.31Å; V145-A168 HydrophobicContact CG2-CB 4.2Å; L146-A168 HydrophobicContact CD2-CB 4.13Å; T164-A168 WeakPolarHBondContact O-CB 3.3Å; T164-A168 PolarHBondContact O-N 3.33Å; N166-A168 VanDerWaalsContact C-N 3.29Å; N166-A168 PolarHBondContact O-N 3.39Å; A168-F172 WeakPolarHBondContact O-CA 3.5Å; A168-F172 PolarHBondContact O-N 3.36Å; A168-L192 HydrophobicContact CB-CD1 4.36Å
169	A	88.8	Confident	91.6	Very high	1 Å²	1	45.9 Å²	45.9	1%	0.008	22%	0.222	C	C	.	.	H	α-helix	trans	-81.3	-29.4	174.5	0	0	0	0	0	113.1	N166 F167 L192 L198 H199	N166-A169 CarbonylContact O-C 3.58Å; N166-A169 WeakPolarHBondContact O-CA 3.25Å; N166-A169 WeakPolarHBondContact O-CB 3.19Å; N166-A169 PolarHBondContact O-N 2.66Å; F167-A169 VanDerWaalsContact C-N 3.27Å; F167-A169 PolarHBondContact O-N 3.12Å; A169-L192 HydrophobicContact CB-CD1 4.47Å; A169-L198 HydrophobicContact CB-CD1 4.08Å; A169-H199 WeakPolarHBondContact O-CB 3.46Å; A169-H199 PolarHBondContact O-N 3.23Å
170	C	83.1	Confident	91.7	Very high	9 Å²	9	43.6 Å²	43.6	6%	0.061	21%	0.212	C	C	.	.	H	α-helix	trans	-76.6	-28	178.4	-59.2	0	0	0	0	113.2	N166 F167 T585 C586	N166-C170 PolarHBondContact O-N 3.09Å; N166-C170 PolarHBondContact O-SG 2.95Å; F167-C170 PolarHBondContact O-N 2.62Å; C170-T585 VanDerWaalsContact SG-C 3.55Å; C170-T585 WeakPolarHBondContact SG-CB 3.04Å; C170-T585 PolarHBondContact SG-OG1 2.97Å; C170-C586 HydrophobicContact CB-CB 4.2Å
171	N	85.9	Confident	91.8	Very high	44 Å²	44	43.4 Å²	43.4	24%	0.235	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.6	31.8	-175.4	-56.7	-89.2	0	0	0	111	F167 E173 S174 V175	F167-N171 HydrophobicContact CD1-CB 4.48Å; F167-N171 WeakPolarHBondContact CD1-ND2 3.49Å; F167-N171 HydrophobicContact CE1-CB 4.24Å; F167-N171 WeakPolarHBondContact CE1-ND2 3.37Å; F167-N171 PolarHBondContact O-N 3.14Å; F167-N171 PolarHBondContact O-ND2 3.41Å; N171-E173 VanDerWaalsContact C-N 3.33Å; N171-E173 PolarHBondContact O-N 2.79Å; N171-S174 PolarHBondContact O-N 3.4Å; N171-V175 HydrophobicContact CB-CG2 4.3Å; N171-V175 WeakPolarHBondContact O-CG2 3.39Å; N171-V175 PolarHBondContact O-N 3.06Å
172	F	91.1	Very high	91.8	Very high	1 Å²	1	42.6 Å²	42.6	0%	0.004	21%	0.208	C	C	.	.	H	α-helix	trans	-52.3	-48.1	-166.2	176.1	-101.3	0	0	0	112.9	A168 S174 V175 V176 F181 L192 I193 L198 I200 V206 A209	A168-F172 WeakPolarHBondContact O-CA 3.5Å; A168-F172 PolarHBondContact O-N 3.36Å; F172-S174 PolarHBondContact O-N 3.17Å; F172-V175 PolarHBondContact O-N 3.08Å; F172-V175 VanDerWaalsContact O-N 3.12Å; F172-V176 HydrophobicContact CD1-CG2 4.1Å; F172-V176 HydrophobicContact CD2-CG2 4.23Å; F172-V176 HydrophobicContact CE1-CG2 3.74Å; F172-V176 HydrophobicContact CE2-CG2 3.89Å; F172-V176 HydrophobicContact CG-CG2 4.35Å; F172-V176 HydrophobicContact CZ-CG2 3.64Å; F172-V176 VanDerWaalsContact O-CG2 3.25Å; F172-V176 WeakPolarHBondContact O-CG2 3.16Å; F172-V176 PolarHBondContact O-N 3.36Å; F172-F181 HydrophobicContact CE2-CE2 4.4Å; F172-L192 HydrophobicContact CD2-CD1 4.36Å; F172-L192 HydrophobicContact CD2-CD2 3.93Å; F172-L192 HydrophobicContact CD2-CG 4.04Å; F172-L192 HydrophobicContact CE2-CD2 3.82Å; F172-L192 HydrophobicContact CE2-CG 3.97Å; F172-I193 HydrophobicContact CZ-CG2 4.5Å; F172-L198 HydrophobicContact CB-CD1 4.09Å; F172-L198 HydrophobicContact CB-CG 4.21Å; F172-L198 HydrophobicContact CD1-CD2 4.16Å; F172-L198 HydrophobicContact CD2-CD1 3.71Å; F172-L198 HydrophobicContact CD2-CD2 4.08Å; F172-L198 HydrophobicContact CD2-CG 4.21Å; F172-L198 HydrophobicContact CE1-CD2 4.25Å; F172-L198 HydrophobicContact CE2-CD1 4.34Å; F172-L198 HydrophobicContact CE2-CD2 4.16Å; F172-L198 HydrophobicContact CG-CD1 3.98Å; F172-L198 HydrophobicContact CG-CD2 4.06Å; F172-L198 HydrophobicContact CG-CG 4.07Å; F172-L198 HydrophobicContact CZ-CD2 4.24Å; F172-I200 HydrophobicContact CB-CG2 4.33Å; F172-I200 HydrophobicContact CD1-CG2 3.58Å; F172-I200 HydrophobicContact CE1-CG2 4.26Å; F172-I200 HydrophobicContact CG-CG2 4.25Å; F172-V206 HydrophobicContact CE1-CB 4.48Å; F172-V206 HydrophobicContact CE1-CG2 4.02Å; F172-V206 HydrophobicContact CZ-CG2 4.48Å; F172-A209 HydrophobicContact CE1-CB 3.92Å; F172-A209 HydrophobicContact CZ-CB 3.6Å
173	E	88.8	Confident	91.9	Very high	68 Å²	68	42.3 Å²	42.3	32%	0.318	22%	0.216	S	C	.	.	H	α-helix	trans	-62.4	-45.8	-177.5	-59.4	-176.1	163.1	0	0	111.6	N171 V175 V176 E177 I200 D201 S205	N171-E173 VanDerWaalsContact C-N 3.33Å; N171-E173 PolarHBondContact O-N 2.79Å; E173-V175 VanDerWaalsContact C-N 3.29Å; E173-V175 PolarHBondContact O-N 3.39Å; E173-V176 PolarHBondContact O-N 2.73Å; E173-E177 PolarHBondContact O-N 2.96Å; E173-I200 HydrophobicContact CG-CG2 4.47Å; E173-D201 PolarHBondContact OE1-N 2.76Å; E173-S205 WeakPolarHBondContact OE1-CB 3.33Å; E173-S205 PolarHBondContact OE1-OG 3.41Å
174	S	91	Very high	92	Very high	57 Å²	57	40.8 Å²	40.8	40%	0.399	21%	0.21	S	C	.	.	H	α-helix	trans	-64.6	-28.7	174	-45	0	0	0	0	113.8	N171 F172	N171-S174 PolarHBondContact O-N 3.4Å; F172-S174 PolarHBondContact O-N 3.17Å
175	V	94.9	Very high	92	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-77.9	-34.7	177.3	170.5	0	0	0	0	111.1	V145 L146 N171 F172 E173 E177 S178 F181	V145-V175 HydrophobicContact CG1-CG1 4.27Å; V145-V175 HydrophobicContact CG1-CG2 3.7Å; L146-V175 HydrophobicContact CD1-CG1 3.76Å; L146-V175 HydrophobicContact CD2-CG1 4.02Å; L146-V175 HydrophobicContact CG-CG1 3.93Å; N171-V175 HydrophobicContact CB-CG2 4.3Å; N171-V175 WeakPolarHBondContact O-CG2 3.39Å; N171-V175 PolarHBondContact O-N 3.06Å; F172-V175 PolarHBondContact O-N 3.08Å; F172-V175 VanDerWaalsContact O-N 3.12Å; E173-V175 VanDerWaalsContact C-N 3.29Å; E173-V175 PolarHBondContact O-N 3.39Å; V175-E177 PolarHBondContact O-N 3.19Å; V175-S178 VanDerWaalsContact O-CB 3.28Å; V175-S178 WeakPolarHBondContact O-CB 3.43Å; V175-S178 PolarHBondContact O-N 2.89Å; V175-S178 VanDerWaalsContact O-N 3.09Å; V175-S178 PolarHBondContact O-OG 3.46Å; V175-F181 WeakPolarHBondContact O-CB 3.49Å
176	V	94.9	Very high	92.2	Very high	18 Å²	18	42 Å²	42	11%	0.109	23%	0.227	C	C	.	.	H	α-helix	trans	-63	-28.5	175.2	167.9	0	0	0	0	112.1	F172 E173 S178 F181 A209 R212	F172-V176 HydrophobicContact CD1-CG2 4.1Å; F172-V176 HydrophobicContact CD2-CG2 4.23Å; F172-V176 HydrophobicContact CE1-CG2 3.74Å; F172-V176 HydrophobicContact CE2-CG2 3.89Å; F172-V176 HydrophobicContact CG-CG2 4.35Å; F172-V176 HydrophobicContact CZ-CG2 3.64Å; F172-V176 VanDerWaalsContact O-CG2 3.25Å; F172-V176 WeakPolarHBondContact O-CG2 3.16Å; F172-V176 PolarHBondContact O-N 3.36Å; E173-V176 PolarHBondContact O-N 2.73Å; V176-S178 VanDerWaalsContact C-N 3.25Å; V176-S178 PolarHBondContact O-N 3.08Å; V176-F181 HydrophobicContact CG1-CD1 4.42Å; V176-F181 HydrophobicContact CG1-CE1 4.27Å; V176-F181 HydrophobicContact CG2-CD2 4.07Å; V176-F181 HydrophobicContact CG2-CE1 4.22Å; V176-F181 HydrophobicContact CG2-CE2 3.73Å; V176-F181 HydrophobicContact CG2-CG 4.47Å; V176-F181 HydrophobicContact CG2-CZ 3.83Å; V176-A209 HydrophobicContact CB-CB 4.27Å; V176-A209 HydrophobicContact CG1-CB 3.68Å; V176-A209 HydrophobicContact CG2-CB 3.5Å; V176-A209 VanDerWaalsContact CG2-CB 3.5Å; V176-R212 PolarHBondContact O-NE 3.1Å; V176-R212 VanDerWaalsContact O-NE 3.08Å; V176-R212 PolarHBondContact O-NH2 3.16Å
177	E	94	Very high	92.4	Very high	149 Å²	149	46.8 Å²	46.8	70%	0.696	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-20.7	174.5	-64.9	-166.3	149	0	0	113.9	E173 V175 R212	E173-E177 PolarHBondContact O-N 2.96Å; V175-E177 PolarHBondContact O-N 3.19Å; E177-R212 PolarHBondContact O-NH2 3.23Å
178	S	94	Very high	92.6	Very high	11 Å²	11	46.9 Å²	46.9	8%	0.077	25%	0.248	C	C	.	.	S	Bend	trans	-68.1	161	-177.2	74.6	0	0	0	0	114.5	V175 V176 F181 R212	V175-S178 VanDerWaalsContact O-CB 3.28Å; V175-S178 WeakPolarHBondContact O-CB 3.43Å; V175-S178 PolarHBondContact O-N 2.89Å; V175-S178 VanDerWaalsContact O-N 3.09Å; V175-S178 PolarHBondContact O-OG 3.46Å; V176-S178 VanDerWaalsContact C-N 3.25Å; V176-S178 PolarHBondContact O-N 3.08Å; S178-F181 WeakPolarHBondContact OG-CB 3.12Å; S178-F181 PolarHBondContact OG-N 3.23Å; S178-F181 VanDerWaalsContact OG-N 3.12Å; S178-R212 PolarHBondContact O-NH2 2.92Å
179	E	91.3	Very high	92.8	Very high	159 Å²	159	46.9 Å²	46.9	74%	0.743	25%	0.247	S	C	*	.	H	α-helix	trans	-77.2	-30.1	169.3	-64	-170.3	168.8	0	0	112.1	F181 V182 C183	E179-F181 VanDerWaalsContact C-N 3.26Å; E179-F181 PolarHBondContact O-N 3.36Å; E179-V182 WeakPolarHBondContact O-CG2 3.41Å; E179-V182 PolarHBondContact O-N 2.97Å; E179-C183 PolarHBondContact O-SG 2.9Å
180	E	93.2	Very high	93.1	Very high	69 Å²	69	49.6 Å²	49.6	32%	0.322	26%	0.262	S	S	.	.	H	α-helix	trans	-61.3	-35	175.2	-62.6	-161.9	140.3	0	0	111.9	L146 G147 V182 C183 L184	L146-E180 HydrophobicContact CB-CB 4.06Å; L146-E180 WeakPolarHBondContact CB-OE2 3.34Å; L146-E180 HydrophobicContact CD1-CB 4.04Å; L146-E180 PolarHBondContact N-OE2 2.89Å; G147-E180 WeakPolarHBondContact CA-OE1 3.37Å; G147-E180 PolarHBondContact N-OE1 3.48Å; G147-E180 PolarHBondContact N-OE2 3.16Å; E180-V182 PolarHBondContact O-N 3.01Å; E180-C183 WeakPolarHBondContact O-CA 3.28Å; E180-C183 WeakPolarHBondContact O-CB 3.34Å; E180-C183 PolarHBondContact O-N 3.33Å; E180-L184 PolarHBondContact O-N 2.97Å
181	F	96.6	Very high	93.7	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-60.3	-39.1	-179.9	-178.2	-92.6	0	0	0	113.5	L146 F172 V175 V176 S178 E179 C183 L184 L189 L192 A209 W213	L146-F181 HydrophobicContact CD1-CB 4.03Å; L146-F181 HydrophobicContact CD1-CD2 4.42Å; F172-F181 HydrophobicContact CE2-CE2 4.4Å; V175-F181 WeakPolarHBondContact O-CB 3.49Å; V176-F181 HydrophobicContact CG1-CD1 4.42Å; V176-F181 HydrophobicContact CG1-CE1 4.27Å; V176-F181 HydrophobicContact CG2-CD2 4.07Å; V176-F181 HydrophobicContact CG2-CE1 4.22Å; V176-F181 HydrophobicContact CG2-CE2 3.73Å; V176-F181 HydrophobicContact CG2-CG 4.47Å; V176-F181 HydrophobicContact CG2-CZ 3.83Å; S178-F181 WeakPolarHBondContact OG-CB 3.12Å; S178-F181 PolarHBondContact OG-N 3.23Å; S178-F181 VanDerWaalsContact OG-N 3.12Å; E179-F181 VanDerWaalsContact C-N 3.26Å; E179-F181 PolarHBondContact O-N 3.36Å; F181-C183 PolarHBondContact O-N 2.93Å; F181-L184 HydrophobicContact CD2-CD1 3.68Å; F181-L184 HydrophobicContact CE2-CD1 3.94Å; F181-L184 HydrophobicContact CG-CD1 4.34Å; F181-L184 WeakPolarHBondContact O-CB 3.32Å; F181-L184 WeakPolarHBondContact O-CG 3.33Å; F181-L184 PolarHBondContact O-N 2.81Å; F181-L189 HydrophobicContact CE2-CD1 3.85Å; F181-L189 HydrophobicContact CZ-CD1 3.58Å; F181-L192 HydrophobicContact CE2-CD2 4.2Å; F181-A209 HydrophobicContact CE1-CB 4.25Å; F181-A209 WeakPolarHBondContact CE1-O 3.3Å; F181-A209 HydrophobicContact CZ-CB 3.89Å; F181-W213 HydrophobicContact CE1-CB 4.18Å
182	V	94.5	Very high	94.1	Very high	17 Å²	17	50.4 Å²	50.4	10%	0.103	27%	0.265	C	S	.	.	H	α-helix	trans	-73.7	-12.3	176.4	-63.7	0	0	0	0	112.9	E179 E180 R212 H216 R221	E179-V182 WeakPolarHBondContact O-CG2 3.41Å; E179-V182 PolarHBondContact O-N 2.97Å; E180-V182 PolarHBondContact O-N 3.01Å; V182-R212 HydrophobicContact CG1-CG 4.09Å; V182-H216 HydrophobicContact CB-CB 4.36Å; V182-R221 VanDerWaalsContact O-CZ 3.31Å; V182-R221 PolarHBondContact O-NH1 3.1Å; V182-R221 PolarHBondContact O-NH2 3.08Å
183	C	93.8	Very high	94.2	Very high	83 Å²	83	50.4 Å²	50.4	56%	0.561	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.1	-5.9	178	-58	0	0	0	0	113.8	E179 E180 F181	E179-C183 PolarHBondContact O-SG 2.9Å; E180-C183 WeakPolarHBondContact O-CA 3.28Å; E180-C183 WeakPolarHBondContact O-CB 3.34Å; E180-C183 PolarHBondContact O-N 3.33Å; F181-C183 PolarHBondContact O-N 2.93Å
184	L	95.7	Very high	94.4	Very high	14 Å²	14	49.9 Å²	49.9	7%	0.073	27%	0.267	C	S	.	.			trans	-58.2	145.6	173.7	-66.8	176.2	0	0	0	112.1	L146 E180 F181 E188 W213	L146-L184 HydrophobicContact CB-CD2 4.45Å; L146-L184 HydrophobicContact CD1-CD1 4.14Å; L146-L184 HydrophobicContact CD1-CD2 4.12Å; L146-L184 HydrophobicContact CD1-CG 4.21Å; L146-L184 HydrophobicContact CD2-CD2 4.37Å; E180-L184 PolarHBondContact O-N 2.97Å; F181-L184 HydrophobicContact CD2-CD1 3.68Å; F181-L184 HydrophobicContact CE2-CD1 3.94Å; F181-L184 HydrophobicContact CG-CD1 4.34Å; F181-L184 WeakPolarHBondContact O-CB 3.32Å; F181-L184 WeakPolarHBondContact O-CG 3.33Å; F181-L184 PolarHBondContact O-N 2.81Å; L184-E188 HydrophobicContact CB-CB 4.42Å; L184-E188 HydrophobicContact CD2-CB 3.96Å; L184-W213 PolarHBondContact O-NE1 2.78Å
185	T	94.8	Very high	94.3	Very high	52 Å²	52	48.8 Å²	48.8	32%	0.319	25%	0.254	S	S	.	.			trans	-69.7	160.1	165.4	61.1	0	0	0	0	111.1	E187 E188 L189	T185-E187 PolarHBondContact O-N 2.93Å; T185-E188 VanDerWaalsContact CB-OE2 3.25Å; T185-E188 WeakPolarHBondContact CB-OE2 3.38Å; T185-E188 VanDerWaalsContact CG2-OE2 3.27Å; T185-E188 WeakPolarHBondContact CG2-OE2 3.41Å; T185-E188 PolarHBondContact N-OE2 2.99Å; T185-E188 PolarHBondContact O-N 2.93Å; T185-E188 WeakPolarHBondContact OG1-CB 3.45Å; T185-E188 VanDerWaalsContact OG1-CD 3.26Å; T185-E188 VanDerWaalsContact OG1-CG 3.26Å; T185-E188 WeakPolarHBondContact OG1-CG 3.16Å; T185-E188 PolarHBondContact OG1-N 2.63Å; T185-E188 VanDerWaalsContact OG1-N 3.11Å; T185-E188 PolarHBondContact OG1-OE2 2.88Å; T185-L189 WeakPolarHBondContact O-CB 3.27Å; T185-L189 PolarHBondContact O-N 2.74Å; T185-L189 VanDerWaalsContact O-N 3.07Å
186	P	95.8	Very high	93.6	Very high	45 Å²	45	50.9 Å²	50.9	29%	0.292	26%	0.264	S	S	.	.	H	α-helix	trans	-59	-26.8	171.8	23.3	-34.2	0	0	0	113	L190 W213 N224	P186-L190 WeakPolarHBondContact O-CB 3.14Å; P186-L190 PolarHBondContact O-N 3.23Å; P186-W213 HydrophobicContact CB-CH2 3.86Å; P186-W213 HydrophobicContact CB-CZ2 4.26Å; P186-W213 HydrophobicContact CG-CH2 4.49Å; P186-N224 HydrophobicContact CB-CB 4.41Å
187	E	95.4	Very high	92.8	Very high	158 Å²	158	53.3 Å²	53.3	74%	0.738	28%	0.276	S	S	*	.	H	α-helix	trans	-76.9	-47.3	-179.6	-65.9	173.8	-165.8	0	0	111.6	T185 L189 L190 D191	T185-E187 PolarHBondContact O-N 2.93Å; E187-L189 VanDerWaalsContact C-N 3.34Å; E187-L189 PolarHBondContact O-N 2.87Å; E187-L190 PolarHBondContact O-N 3.16Å; E187-D191 PolarHBondContact O-N 3.16Å
188	E	94.8	Very high	92.4	Very high	29 Å²	29	46.3 Å²	46.3	14%	0.136	24%	0.243	C	C	.	.	H	α-helix	trans	-62.2	-39.4	174.1	-68.2	157.2	132.5	0	0	111.8	L184 T185 L192	L184-E188 HydrophobicContact CB-CB 4.42Å; L184-E188 HydrophobicContact CD2-CB 3.96Å; T185-E188 VanDerWaalsContact CB-OE2 3.25Å; T185-E188 WeakPolarHBondContact CB-OE2 3.38Å; T185-E188 VanDerWaalsContact CG2-OE2 3.27Å; T185-E188 WeakPolarHBondContact CG2-OE2 3.41Å; T185-E188 PolarHBondContact N-OE2 2.99Å; T185-E188 PolarHBondContact O-N 2.93Å; T185-E188 WeakPolarHBondContact OG1-CB 3.45Å; T185-E188 VanDerWaalsContact OG1-CD 3.26Å; T185-E188 VanDerWaalsContact OG1-CG 3.26Å; T185-E188 WeakPolarHBondContact OG1-CG 3.16Å; T185-E188 PolarHBondContact OG1-N 2.63Å; T185-E188 VanDerWaalsContact OG1-N 3.11Å; T185-E188 PolarHBondContact OG1-OE2 2.88Å; E188-L192 PolarHBondContact O-N 2.62Å
189	L	96.5	Very high	91.5	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-66.9	-41	175.6	178.8	62.7	0	0	0	111.8	F181 T185 E187 L192 I193 W213 L228	F181-L189 HydrophobicContact CE2-CD1 3.85Å; F181-L189 HydrophobicContact CZ-CD1 3.58Å; T185-L189 WeakPolarHBondContact O-CB 3.27Å; T185-L189 PolarHBondContact O-N 2.74Å; T185-L189 VanDerWaalsContact O-N 3.07Å; E187-L189 VanDerWaalsContact C-N 3.34Å; E187-L189 PolarHBondContact O-N 2.87Å; L189-L192 PolarHBondContact O-N 3.07Å; L189-I193 HydrophobicContact CD1-CG2 3.96Å; L189-I193 WeakPolarHBondContact O-CG1 3.3Å; L189-I193 PolarHBondContact O-N 3.25Å; L189-W213 HydrophobicContact CD2-CB 3.87Å; L189-W213 HydrophobicContact CD2-CD2 3.46Å; L189-W213 VanDerWaalsContact CD2-CD2 3.46Å; L189-W213 HydrophobicContact CD2-CE3 3.74Å; L189-W213 HydrophobicContact CD2-CG 3.51Å; L189-W213 HydrophobicContact CD2-CZ3 4.48Å; L189-L228 HydrophobicContact CD2-CD1 3.96Å; L189-L228 HydrophobicContact CD2-CD2 3.96Å; L189-L228 HydrophobicContact CG-CD2 4.03Å
190	L	96	Very high	91	Very high	59 Å²	59	41.3 Å²	41.3	31%	0.309	22%	0.219	S	C	.	.	H	α-helix	trans	-65.4	-42.5	178.5	-178.5	62.9	0	0	0	111.7	P186 E187 L192 T194 L228 N231	P186-L190 WeakPolarHBondContact O-CB 3.14Å; P186-L190 PolarHBondContact O-N 3.23Å; E187-L190 PolarHBondContact O-N 3.16Å; L190-L192 VanDerWaalsContact C-N 3.32Å; L190-L192 PolarHBondContact O-N 3.49Å; L190-T194 VanDerWaalsContact O-CB 3.25Å; L190-T194 WeakPolarHBondContact O-CB 3.18Å; L190-T194 PolarHBondContact O-N 2.88Å; L190-T194 VanDerWaalsContact O-N 3.12Å; L190-T194 PolarHBondContact O-OG1 3.18Å; L190-L228 HydrophobicContact CB-CD2 4.25Å; L190-L228 HydrophobicContact CD1-CD2 4.43Å; L190-N231 HydrophobicContact CD1-CB 4.49Å; L190-N231 WeakPolarHBondContact CD1-ND2 3.47Å
191	D	94.1	Very high	90	Very high	66 Å²	66	43.5 Å²	43.5	35%	0.353	23%	0.233	S	C	.	.	H	α-helix	trans	-53.8	-48.3	171.5	173.1	58.4	0	0	0	111.1	R149 E187	R149-D191 IonicContact CZ-OD2 2.86Å; R149-D191 VanDerWaalsContact CZ-OD2 3.25Å; R149-D191 IonicContact NH1-OD2 2.87Å; R149-D191 PolarHBondContact NH1-OD2 3.39Å; R149-D191 IonicContact NH2-OD2 3.81Å; R149-D191 PolarHBondContact NH2-OD2 2.97Å; E187-D191 PolarHBondContact O-N 3.16Å
192	L	94.3	Very high	89.1	Confident	4 Å²	4	47 Å²	47	2%	0.021	25%	0.252	C	S	.	.	H	α-helix	trans	-64.6	-52.1	-179.4	-174.4	59	0	0	0	113.1	A168 A169 F172 F181 E188 L189 L190 T194 R195 L198	A168-L192 HydrophobicContact CB-CD1 4.36Å; A169-L192 HydrophobicContact CB-CD1 4.47Å; F172-L192 HydrophobicContact CD2-CD1 4.36Å; F172-L192 HydrophobicContact CD2-CD2 3.93Å; F172-L192 HydrophobicContact CD2-CG 4.04Å; F172-L192 HydrophobicContact CE2-CD2 3.82Å; F172-L192 HydrophobicContact CE2-CG 3.97Å; F181-L192 HydrophobicContact CE2-CD2 4.2Å; E188-L192 PolarHBondContact O-N 2.62Å; L189-L192 PolarHBondContact O-N 3.07Å; L190-L192 VanDerWaalsContact C-N 3.32Å; L190-L192 PolarHBondContact O-N 3.49Å; L192-T194 VanDerWaalsContact C-N 3.29Å; L192-T194 PolarHBondContact O-N 2.82Å; L192-R195 WeakPolarHBondContact O-CG 3.25Å; L192-R195 PolarHBondContact O-N 3.31Å; L192-L198 HydrophobicContact CD1-CD1 3.96Å; L192-L198 HydrophobicContact CG-CD1 4.39Å
193	I	94.3	Very high	88.8	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-73.9	-16.5	-175.6	70.4	179.1	0	0	0	114	F172 L189 R195 V206 V210 L228 N231 R286	F172-I193 HydrophobicContact CZ-CG2 4.5Å; L189-I193 HydrophobicContact CD1-CG2 3.96Å; L189-I193 WeakPolarHBondContact O-CG1 3.3Å; L189-I193 PolarHBondContact O-N 3.25Å; I193-R195 VanDerWaalsContact C-N 3.29Å; I193-R195 PolarHBondContact O-N 3.12Å; I193-V206 HydrophobicContact CB-CG1 4.13Å; I193-V206 HydrophobicContact CG2-CG1 3.99Å; I193-V210 HydrophobicContact CD1-CG2 3.8Å; I193-V210 HydrophobicContact CG2-CG2 4.08Å; I193-L228 HydrophobicContact CD1-CB 4.16Å; I193-L228 HydrophobicContact CD1-CD2 3.77Å; I193-N231 HydrophobicContact CD1-CB 4.35Å; I193-N231 HydrophobicContact CG1-CB 4.3Å; I193-R286 PolarHBondContact O-NH1 3.37Å; I193-R286 PolarHBondContact O-NH2 3.46Å
194	T	92.5	Very high	88.7	Confident	57 Å²	57	44.7 Å²	44.7	35%	0.35	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-13.6	178.9	-56.7	0	0	0	0	112.6	L190 L192 E196	L190-T194 VanDerWaalsContact O-CB 3.25Å; L190-T194 WeakPolarHBondContact O-CB 3.18Å; L190-T194 PolarHBondContact O-N 2.88Å; L190-T194 VanDerWaalsContact O-N 3.12Å; L190-T194 PolarHBondContact O-OG1 3.18Å; L192-T194 VanDerWaalsContact C-N 3.29Å; L192-T194 PolarHBondContact O-N 2.82Å; T194-E196 PolarHBondContact O-N 3.25Å
195	R	88.3	Confident	88.4	Confident	35 Å²	35	45.2 Å²	45.2	13%	0.132	24%	0.237	C	C	.	.			trans	-63.2	128.8	-176.7	-69.2	-170.3	69.3	138.4	3.1	114	R165 N166 L192 I193 D197 L198 R286	R165-R195 PolarHBondContact O-NH1 3.45Å; N166-R195 PolarHBondContact OD1-NH1 2.87Å; N166-R195 VanDerWaalsContact OD1-NH1 3.1Å; N166-R195 PolarHBondContact OD1-NH2 3.39Å; L192-R195 WeakPolarHBondContact O-CG 3.25Å; L192-R195 PolarHBondContact O-N 3.31Å; I193-R195 VanDerWaalsContact C-N 3.29Å; I193-R195 PolarHBondContact O-N 3.12Å; R195-D197 VanDerWaalsContact C-N 3.27Å; R195-D197 WeakPolarHBondContact CB-OD1 3.37Å; R195-D197 IonicContact CZ-OD1 3.69Å; R195-D197 IonicContact CZ-OD2 3.58Å; R195-D197 IonicContact NE-OD1 3.57Å; R195-D197 PolarHBondContact NE-OD1 2.95Å; R195-D197 IonicContact NE-OD2 2.69Å; R195-D197 VanDerWaalsContact NH2-CG 3.31Å; R195-D197 IonicContact NH2-OD1 3.93Å; R195-D197 PolarHBondContact NH2-OD1 3.02Å; R195-D197 VanDerWaalsContact NH2-OD1 3.15Å; R195-D197 IonicContact NH2-OD2 2.78Å; R195-D197 PolarHBondContact NH2-OD2 3.12Å; R195-D197 PolarHBondContact O-N 3.15Å; R195-L198 HydrophobicContact CB-CB 4.38Å; R195-R286 PolarHBondContact O-NH1 3.18Å
196	E	81.4	Confident	88.4	Confident	44 Å²	44	42.7 Å²	42.7	21%	0.206	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-25.5	172.4	-61.8	-61	152.7	0	0	112.7	T194 R233 R281 D287	T194-E196 PolarHBondContact O-N 3.25Å; E196-R233 IonicContact OE1-NH2 3.26Å; E196-R233 PolarHBondContact OE1-NH2 3.28Å; E196-R233 VanDerWaalsContact OE1-NH2 3.14Å; E196-R233 IonicContact OE2-CZ 3.64Å; E196-R233 IonicContact OE2-NH1 3.61Å; E196-R233 PolarHBondContact OE2-NH1 2.95Å; E196-R233 VanDerWaalsContact OE2-NH1 3.14Å; E196-R233 IonicContact OE2-NH2 2.93Å; E196-R233 PolarHBondContact OE2-NH2 3.49Å; E196-R281 WeakPolarHBondContact OE1-CD 3.28Å; E196-R281 IonicContact OE1-CZ 2.74Å; E196-R281 IonicContact OE1-NE 2.77Å; E196-R281 IonicContact OE1-NH1 3.27Å; E196-R281 PolarHBondContact OE1-NH1 3.43Å; E196-D287 PolarHBondContact O-N 3.22Å
197	D	78.8	Confident	88.5	Confident	69 Å²	69	40.8 Å²	40.8	37%	0.369	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.7	23.9	-177.5	67.1	-26.6	0	0	0	113.4	R195 H199	R195-D197 VanDerWaalsContact C-N 3.27Å; R195-D197 WeakPolarHBondContact CB-OD1 3.37Å; R195-D197 IonicContact CZ-OD1 3.69Å; R195-D197 IonicContact CZ-OD2 3.58Å; R195-D197 IonicContact NE-OD1 3.57Å; R195-D197 PolarHBondContact NE-OD1 2.95Å; R195-D197 IonicContact NE-OD2 2.69Å; R195-D197 VanDerWaalsContact NH2-CG 3.31Å; R195-D197 IonicContact NH2-OD1 3.93Å; R195-D197 PolarHBondContact NH2-OD1 3.02Å; R195-D197 VanDerWaalsContact NH2-OD1 3.15Å; R195-D197 IonicContact NH2-OD2 2.78Å; R195-D197 PolarHBondContact NH2-OD2 3.12Å; R195-D197 PolarHBondContact O-N 3.15Å; D197-H199 PolarHBondContact O-N 3.25Å
198	L	84.7	Confident	88.5	Confident	1 Å²	1	37.2 Å²	37.2	1%	0.005	19%	0.194	C	C	.	.			trans	-68.6	123.6	173.4	-160.8	75	0	0	0	110	A169 F172 L192 R195 I200 V206	A169-L198 HydrophobicContact CB-CD1 4.08Å; F172-L198 HydrophobicContact CB-CD1 4.09Å; F172-L198 HydrophobicContact CB-CG 4.21Å; F172-L198 HydrophobicContact CD1-CD2 4.16Å; F172-L198 HydrophobicContact CD2-CD1 3.71Å; F172-L198 HydrophobicContact CD2-CD2 4.08Å; F172-L198 HydrophobicContact CD2-CG 4.21Å; F172-L198 HydrophobicContact CE1-CD2 4.25Å; F172-L198 HydrophobicContact CE2-CD1 4.34Å; F172-L198 HydrophobicContact CE2-CD2 4.16Å; F172-L198 HydrophobicContact CG-CD1 3.98Å; F172-L198 HydrophobicContact CG-CD2 4.06Å; F172-L198 HydrophobicContact CG-CG 4.07Å; F172-L198 HydrophobicContact CZ-CD2 4.24Å; L192-L198 HydrophobicContact CD1-CD1 3.96Å; L192-L198 HydrophobicContact CG-CD1 4.39Å; R195-L198 HydrophobicContact CB-CB 4.38Å; L198-I200 HydrophobicContact CD2-CG2 4.03Å; L198-I200 HydrophobicContact CG-CG2 4.15Å; L198-V206 HydrophobicContact CD2-CG2 3.79Å
199	H	75.8	Confident	88.6	Confident	38 Å²	38	35.9 Å²	35.9	18%	0.176	19%	0.188	C	C	.	.			trans	-90.6	111.4	-178.4	-161.3	58.2	0	0	0	110.4	A169 D197 G288	A169-H199 WeakPolarHBondContact O-CB 3.46Å; A169-H199 PolarHBondContact O-N 3.23Å; D197-H199 PolarHBondContact O-N 3.25Å; H199-G288 PolarHBondContact ND1-O 3.1Å
200	I	79.7	Confident	88.7	Confident	28 Å²	28	35.9 Å²	35.9	14%	0.144	19%	0.188	C	C	.	.			trans	-147.9	149.1	-173.8	58.2	-174.7	0	0	0	108.4	F172 E173 L198 N202 E203 V206	F172-I200 HydrophobicContact CB-CG2 4.33Å; F172-I200 HydrophobicContact CD1-CG2 3.58Å; F172-I200 HydrophobicContact CE1-CG2 4.26Å; F172-I200 HydrophobicContact CG-CG2 4.25Å; E173-I200 HydrophobicContact CG-CG2 4.47Å; L198-I200 HydrophobicContact CD2-CG2 4.03Å; L198-I200 HydrophobicContact CG-CG2 4.15Å; I200-N202 WeakPolarHBondContact CD1-O 3.42Å; I200-E203 WeakPolarHBondContact CD1-OE2 3.2Å; I200-V206 HydrophobicContact CD1-CG2 3.53Å; I200-V206 HydrophobicContact CG2-CG2 4.07Å
201	D	72	Confident	88.7	Confident	115 Å²	115	33.6 Å²	33.6	62%	0.615	18%	0.176	S	C	*	.	S	Bend	trans	-75.8	-30.7	173.2	-96	-19.3	0	0	0	111.7	E173 R582	E173-D201 PolarHBondContact OE1-N 2.76Å; D201-R582 IonicContact OD1-NH1 2.69Å; D201-R582 PolarHBondContact OD1-NH1 3.06Å
202	N	79	Confident	88.8	Confident	72 Å²	72	35.3 Å²	35.3	39%	0.385	18%	0.177	S	C	.	.			trans	-155.4	165.5	177.2	62.1	70.3	0	0	0	111.3	I200 E204 S205	I200-N202 WeakPolarHBondContact CD1-O 3.42Å; N202-E204 VanDerWaalsContact C-N 3.28Å; N202-E204 PolarHBondContact O-N 3.18Å; N202-E204 VanDerWaalsContact OD1-CA 3.3Å; N202-E204 WeakPolarHBondContact OD1-CA 3.43Å; N202-E204 WeakPolarHBondContact OD1-CB 3.14Å; N202-E204 PolarHBondContact OD1-N 2.92Å; N202-S205 PolarHBondContact OD1-N 3.49Å
203	E	88.2	Confident	89	Confident	13 Å²	13	35.3 Å²	35.3	6%	0.061	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-17	179.3	-165.9	74.8	-176.7	0	0	112.9	I200 S205 V206 Y207 I232 R233 M237 R286	I200-E203 WeakPolarHBondContact CD1-OE2 3.2Å; E203-S205 VanDerWaalsContact C-N 3.27Å; E203-S205 PolarHBondContact O-N 3.34Å; E203-V206 WeakPolarHBondContact O-CB 3.42Å; E203-V206 PolarHBondContact O-N 2.92Å; E203-Y207 PolarHBondContact O-N 2.81Å; E203-Y207 VanDerWaalsContact O-N 3.16Å; E203-I232 HydrophobicContact CG-CG2 3.74Å; E203-I232 WeakPolarHBondContact OE1-CA 3.27Å; E203-I232 WeakPolarHBondContact OE1-CG2 3.32Å; E203-R233 HydrophobicContact CG-CB 3.94Å; E203-R233 PolarHBondContact OE1-N 2.74Å; E203-M237 HydrophobicContact CB-CE 4.19Å; E203-M237 HydrophobicContact CB-CG 4.13Å; E203-M237 HydrophobicContact CG-CE 3.78Å; E203-M237 WeakPolarHBondContact O-CE 3.45Å; E203-R286 IonicContact OE1-CZ 2.78Å; E203-R286 IonicContact OE1-NE 2.69Å; E203-R286 IonicContact OE1-NH2 2.93Å; E203-R286 PolarHBondContact OE1-NH2 2.78Å; E203-R286 IonicContact OE2-CZ 3.92Å; E203-R286 IonicContact OE2-NE 2.9Å; E203-R286 PolarHBondContact OE2-NE 2.7Å; E203-R286 IonicContact OE2-NH2 2.75Å
204	E	90.4	Very high	89.1	Confident	39 Å²	39	35.3 Å²	35.3	18%	0.182	18%	0.177	C	C	.	.	H	α-helix	trans	-64.3	-33.9	178	-45.6	-178.2	174.6	0	0	110.4	N202 V206 Y207 N208 M237 S238 F241	N202-E204 VanDerWaalsContact C-N 3.28Å; N202-E204 PolarHBondContact O-N 3.18Å; N202-E204 VanDerWaalsContact OD1-CA 3.3Å; N202-E204 WeakPolarHBondContact OD1-CA 3.43Å; N202-E204 WeakPolarHBondContact OD1-CB 3.14Å; N202-E204 PolarHBondContact OD1-N 2.92Å; E204-V206 VanDerWaalsContact C-N 3.3Å; E204-V206 PolarHBondContact O-N 3.19Å; E204-Y207 PolarHBondContact O-N 2.78Å; E204-N208 WeakPolarHBondContact O-CB 3.45Å; E204-N208 VanDerWaalsContact O-CG 3.25Å; E204-N208 PolarHBondContact O-N 3Å; E204-N208 PolarHBondContact O-ND2 2.92Å; E204-M237 HydrophobicContact CG-CB 4.01Å; E204-M237 HydrophobicContact CG-CG 3.85Å; E204-M237 HydrophobicContact CG-SD 4.41Å; E204-S238 WeakPolarHBondContact OE1-CB 3.4Å; E204-S238 PolarHBondContact OE1-N 2.73Å; E204-S238 PolarHBondContact OE1-OG 3.39Å; E204-F241 HydrophobicContact CB-CD1 4.02Å; E204-F241 HydrophobicContact CB-CD2 4.12Å; E204-F241 HydrophobicContact CB-CE1 3.89Å; E204-F241 HydrophobicContact CB-CE2 4Å; E204-F241 HydrophobicContact CB-CG 4.14Å; E204-F241 HydrophobicContact CB-CZ 3.88Å; E204-F241 HydrophobicContact CG-CB 4.17Å; E204-F241 HydrophobicContact CG-CD1 3.78Å; E204-F241 HydrophobicContact CG-CD2 4.16Å; E204-F241 HydrophobicContact CG-CE1 4.18Å; E204-F241 HydrophobicContact CG-CG 3.78Å; E204-F241 WeakPolarHBondContact OE1-CB 3.07Å; E204-F241 WeakPolarHBondContact OE2-CD2 3.39Å; E204-F241 WeakPolarHBondContact OE2-CG 3.32Å
205	S	90.6	Very high	89.3	Confident	25 Å²	25	37.7 Å²	37.7	18%	0.175	18%	0.181	C	C	.	.	H	α-helix	trans	-53.9	-41.1	167.1	-63.8	0	0	0	0	113.2	E173 N202 E203 N208 A209	E173-S205 WeakPolarHBondContact OE1-CB 3.33Å; E173-S205 PolarHBondContact OE1-OG 3.41Å; N202-S205 PolarHBondContact OD1-N 3.49Å; E203-S205 VanDerWaalsContact C-N 3.27Å; E203-S205 PolarHBondContact O-N 3.34Å; S205-N208 PolarHBondContact O-N 2.75Å; S205-A209 WeakPolarHBondContact O-CB 3.43Å; S205-A209 PolarHBondContact O-N 2.95Å
206	V	94.8	Very high	89.7	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-71.4	-38.2	179	-174	0	0	0	0	111.2	F172 I193 L198 I200 E203 E204 A209 V210 I232	F172-V206 HydrophobicContact CE1-CB 4.48Å; F172-V206 HydrophobicContact CE1-CG2 4.02Å; F172-V206 HydrophobicContact CZ-CG2 4.48Å; I193-V206 HydrophobicContact CB-CG1 4.13Å; I193-V206 HydrophobicContact CG2-CG1 3.99Å; L198-V206 HydrophobicContact CD2-CG2 3.79Å; I200-V206 HydrophobicContact CD1-CG2 3.53Å; I200-V206 HydrophobicContact CG2-CG2 4.07Å; E203-V206 WeakPolarHBondContact O-CB 3.42Å; E203-V206 PolarHBondContact O-N 2.92Å; E204-V206 VanDerWaalsContact C-N 3.3Å; E204-V206 PolarHBondContact O-N 3.19Å; V206-A209 PolarHBondContact O-N 3.41Å; V206-V210 WeakPolarHBondContact O-CG2 3.49Å; V206-V210 PolarHBondContact O-N 2.91Å; V206-I232 HydrophobicContact CB-CG2 4.37Å; V206-I232 HydrophobicContact CG1-CG1 4.26Å; V206-I232 HydrophobicContact CG1-CG2 4.34Å
207	Y	96.6	Very high	90.3	Very high	5 Å²	5	42.6 Å²	42.6	2%	0.02	21%	0.205	C	C	.	.	H	α-helix	trans	-61.8	-49.3	171.6	177.4	-92.9	0	0	0	111.6	E203 E204 A209 V210 M211 L229 L234 F241 V245 V246 I252	E203-Y207 PolarHBondContact O-N 2.81Å; E203-Y207 VanDerWaalsContact O-N 3.16Å; E204-Y207 PolarHBondContact O-N 2.78Å; Y207-A209 VanDerWaalsContact C-N 3.28Å; Y207-A209 PolarHBondContact O-N 3.47Å; Y207-V210 PolarHBondContact O-N 3.36Å; Y207-M211 HydrophobicContact CD1-CG 3.97Å; Y207-M211 HydrophobicContact CD2-CG 4.18Å; Y207-M211 HydrophobicContact CE1-CG 3.55Å; Y207-M211 HydrophobicContact CE2-CG 3.76Å; Y207-M211 HydrophobicContact CE2-SD 4Å; Y207-M211 HydrophobicContact CG-CG 4.28Å; Y207-M211 VanDerWaalsContact CZ-CG 3.43Å; Y207-M211 WeakPolarHBondContact O-CG 3.39Å; Y207-M211 PolarHBondContact O-N 3.37Å; Y207-L229 HydrophobicContact CD2-CD1 4.11Å; Y207-L229 HydrophobicContact CE2-CD1 4.14Å; Y207-L234 HydrophobicContact CD2-CD2 4.48Å; Y207-F241 AromaticContact CD1-CE1 3.52Å; Y207-F241 HydrophobicContact CD1-CE1 3.52Å; Y207-F241 AromaticContact CD1-CZ 3.6Å; Y207-F241 HydrophobicContact CD1-CZ 3.6Å; Y207-F241 HydrophobicContact CE1-CE1 4.1Å; Y207-F241 HydrophobicContact CE1-CZ 4.15Å; Y207-F241 AromaticContact CG-CE1 3.97Å; Y207-F241 HydrophobicContact CG-CE1 3.97Å; Y207-F241 HydrophobicContact CG-CZ 4.41Å; Y207-V245 HydrophobicContact CE1-CG1 4.19Å; Y207-V246 HydrophobicContact CD1-CG2 4.35Å; Y207-V246 HydrophobicContact CD2-CG1 4.48Å; Y207-V246 HydrophobicContact CD2-CG2 4.17Å; Y207-V246 HydrophobicContact CE1-CG2 4.07Å; Y207-V246 HydrophobicContact CE2-CB 4.32Å; Y207-V246 HydrophobicContact CE2-CG1 3.75Å; Y207-V246 HydrophobicContact CE2-CG2 3.91Å; Y207-V246 HydrophobicContact CG-CG2 4.38Å; Y207-I252 HydrophobicContact CE2-CD1 4.36Å
208	N	95.9	Very high	91	Very high	83 Å²	83	41.9 Å²	41.9	44%	0.444	20%	0.204	S	C	.	.	H	α-helix	trans	-59.9	-39.3	179.2	-69.7	-36.4	0	0	0	111.7	E204 S205 R212	E204-N208 WeakPolarHBondContact O-CB 3.45Å; E204-N208 VanDerWaalsContact O-CG 3.25Å; E204-N208 PolarHBondContact O-N 3Å; E204-N208 PolarHBondContact O-ND2 2.92Å; S205-N208 PolarHBondContact O-N 2.75Å; N208-R212 VanDerWaalsContact O-CB 3.27Å; N208-R212 WeakPolarHBondContact O-CB 3.45Å; N208-R212 PolarHBondContact O-N 2.82Å
209	A	96.9	Very high	91.4	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-60.5	-51.5	173	0	0	0	0	0	112.9	F172 V176 F181 S205 V206 Y207 M211 R212 W213	F172-A209 HydrophobicContact CE1-CB 3.92Å; F172-A209 HydrophobicContact CZ-CB 3.6Å; V176-A209 HydrophobicContact CB-CB 4.27Å; V176-A209 HydrophobicContact CG1-CB 3.68Å; V176-A209 HydrophobicContact CG2-CB 3.5Å; V176-A209 VanDerWaalsContact CG2-CB 3.5Å; F181-A209 HydrophobicContact CE1-CB 4.25Å; F181-A209 WeakPolarHBondContact CE1-O 3.3Å; F181-A209 HydrophobicContact CZ-CB 3.89Å; S205-A209 WeakPolarHBondContact O-CB 3.43Å; S205-A209 PolarHBondContact O-N 2.95Å; V206-A209 PolarHBondContact O-N 3.41Å; Y207-A209 VanDerWaalsContact C-N 3.28Å; Y207-A209 PolarHBondContact O-N 3.47Å; A209-M211 PolarHBondContact O-N 2.96Å; A209-R212 PolarHBondContact O-N 3.49Å; A209-W213 PolarHBondContact O-N 3.34Å
210	V	97.6	Very high	92.3	Very high	1 Å²	1	54.2 Å²	54.2	1%	0.006	27%	0.265	C	S	.	.	H	α-helix	trans	-63.5	-41.9	179.2	168.5	0	0	0	0	111.3	I193 V206 Y207 W213 V214 L228 I232	I193-V210 HydrophobicContact CD1-CG2 3.8Å; I193-V210 HydrophobicContact CG2-CG2 4.08Å; V206-V210 WeakPolarHBondContact O-CG2 3.49Å; V206-V210 PolarHBondContact O-N 2.91Å; Y207-V210 PolarHBondContact O-N 3.36Å; V210-W213 PolarHBondContact O-N 3.13Å; V210-V214 HydrophobicContact CG1-CG2 4.47Å; V210-V214 WeakPolarHBondContact O-CG2 3.49Å; V210-V214 PolarHBondContact O-N 3.02Å; V210-L228 HydrophobicContact CG1-CB 3.84Å; V210-L228 HydrophobicContact CG1-CD1 4.2Å; V210-I232 HydrophobicContact CB-CD1 3.9Å; V210-I232 HydrophobicContact CG1-CD1 4.21Å; V210-I232 HydrophobicContact CG2-CD1 3.81Å
211	M	97.3	Very high	93.1	Very high	10 Å²	10	53.7 Å²	53.7	5%	0.049	26%	0.261	C	S	.	.	H	α-helix	trans	-67.6	-39.3	177.5	-64.2	-52.8	-66.5	0	0	112.1	Y207 A209 W213 V214 Y215 L225 D249 L251	Y207-M211 HydrophobicContact CD1-CG 3.97Å; Y207-M211 HydrophobicContact CD2-CG 4.18Å; Y207-M211 HydrophobicContact CE1-CG 3.55Å; Y207-M211 HydrophobicContact CE2-CG 3.76Å; Y207-M211 HydrophobicContact CE2-SD 4Å; Y207-M211 HydrophobicContact CG-CG 4.28Å; Y207-M211 VanDerWaalsContact CZ-CG 3.43Å; Y207-M211 WeakPolarHBondContact O-CG 3.39Å; Y207-M211 PolarHBondContact O-N 3.37Å; A209-M211 PolarHBondContact O-N 2.96Å; M211-W213 VanDerWaalsContact C-N 3.3Å; M211-W213 PolarHBondContact O-N 3.11Å; M211-V214 PolarHBondContact O-N 2.76Å; M211-Y215 HydrophobicContact CB-CD2 4.28Å; M211-Y215 HydrophobicContact CB-CE2 4.5Å; M211-Y215 HydrophobicContact CE-CD2 4.13Å; M211-Y215 HydrophobicContact CE-CE2 3.5Å; M211-Y215 WeakPolarHBondContact O-CB 3.41Å; M211-Y215 VanDerWaalsContact O-CD2 3.31Å; M211-Y215 WeakPolarHBondContact O-CD2 3.46Å; M211-Y215 PolarHBondContact O-N 3.07Å; M211-L225 HydrophobicContact SD-CD1 3.79Å; M211-D249 WeakPolarHBondContact CE-OD1 3.45Å; M211-L251 HydrophobicContact CE-CB 4.48Å; M211-L251 HydrophobicContact CE-CD1 4.26Å
212	R	96.6	Very high	94.2	Very high	103 Å²	103	50.7 Å²	50.7	39%	0.389	25%	0.247	S	C	.	.	H	α-helix	trans	-56.3	-43.8	170.5	171.7	174.7	165.5	143.1	-7.4	111.2	V176 E177 S178 V182 N208 A209 H216	V176-R212 PolarHBondContact O-NE 3.1Å; V176-R212 VanDerWaalsContact O-NE 3.08Å; V176-R212 PolarHBondContact O-NH2 3.16Å; E177-R212 PolarHBondContact O-NH2 3.23Å; S178-R212 PolarHBondContact O-NH2 2.92Å; V182-R212 HydrophobicContact CG1-CG 4.09Å; N208-R212 VanDerWaalsContact O-CB 3.27Å; N208-R212 WeakPolarHBondContact O-CB 3.45Å; N208-R212 PolarHBondContact O-N 2.82Å; A209-R212 PolarHBondContact O-N 3.49Å; R212-H216 PolarHBondContact O-N 2.87Å
213	W	97.9	Very high	94.9	Very high	3 Å²	3	51.3 Å²	51.3	1%	0.011	26%	0.262	C	S	.	.	H	α-helix	trans	-66.6	-43.6	176.8	-176.2	95	0	0	0	112.7	F181 L184 P186 L189 A209 V210 M211 R221 N224 L228	F181-W213 HydrophobicContact CE1-CB 4.18Å; L184-W213 PolarHBondContact O-NE1 2.78Å; P186-W213 HydrophobicContact CB-CH2 3.86Å; P186-W213 HydrophobicContact CB-CZ2 4.26Å; P186-W213 HydrophobicContact CG-CH2 4.49Å; L189-W213 HydrophobicContact CD2-CB 3.87Å; L189-W213 HydrophobicContact CD2-CD2 3.46Å; L189-W213 VanDerWaalsContact CD2-CD2 3.46Å; L189-W213 HydrophobicContact CD2-CE3 3.74Å; L189-W213 HydrophobicContact CD2-CG 3.51Å; L189-W213 HydrophobicContact CD2-CZ3 4.48Å; A209-W213 PolarHBondContact O-N 3.34Å; V210-W213 PolarHBondContact O-N 3.13Å; M211-W213 VanDerWaalsContact C-N 3.3Å; M211-W213 PolarHBondContact O-N 3.11Å; W213-R221 HydrophobicContact CE3-CB 4.19Å; W213-R221 HydrophobicContact CE3-CG 4.24Å; W213-R221 HydrophobicContact CH2-CB 4.03Å; W213-R221 HydrophobicContact CH2-CG 3.6Å; W213-R221 HydrophobicContact CZ2-CG 4.12Å; W213-R221 HydrophobicContact CZ3-CB 3.62Å; W213-R221 HydrophobicContact CZ3-CG 3.68Å; W213-R221 VanDerWaalsContact NE1-NH1 3.16Å; W213-R221 WeakPolarHBondContact O-CD 3.33Å; W213-R221 PolarHBondContact O-NH1 3.11Å; W213-N224 HydrophobicContact CZ3-CB 4.48Å; W213-L228 HydrophobicContact CE3-CD1 3.86Å; W213-L228 HydrophobicContact CZ3-CD1 3.67Å
214	V	97.2	Very high	95.3	Very high	0 Å²	0	53 Å²	53	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-68.1	-44.5	179.4	174.1	0	0	0	0	111.8	V210 M211 H216 Q217 P218 R221 V222 L225 L228 L251	V210-V214 HydrophobicContact CG1-CG2 4.47Å; V210-V214 WeakPolarHBondContact O-CG2 3.49Å; V210-V214 PolarHBondContact O-N 3.02Å; M211-V214 PolarHBondContact O-N 2.76Å; V214-H216 PolarHBondContact O-N 3.4Å; V214-Q217 CarbonylContact O-C 3.3Å; V214-Q217 PolarHBondContact O-N 3.11Å; V214-P218 WeakPolarHBondContact O-CA 3.41Å; V214-R221 HydrophobicContact CB-CB 4.47Å; V214-R221 HydrophobicContact CG1-CB 4.28Å; V214-R221 HydrophobicContact CG2-CB 4.48Å; V214-V222 HydrophobicContact CG1-CG2 3.95Å; V214-L225 HydrophobicContact CG2-CD1 4.25Å; V214-L228 HydrophobicContact CG2-CD1 4.41Å; V214-L251 HydrophobicContact CG1-CD1 3.76Å
215	Y	96.6	Very high	95.6	Very high	108 Å²	108	51.2 Å²	51.2	42%	0.424	26%	0.263	S	S	.	.	H	α-helix	trans	-67	-15.5	-179.2	-84.1	-62.2	0	0	0	114.1	M211 D249 L251	M211-Y215 HydrophobicContact CB-CD2 4.28Å; M211-Y215 HydrophobicContact CB-CE2 4.5Å; M211-Y215 HydrophobicContact CE-CD2 4.13Å; M211-Y215 HydrophobicContact CE-CE2 3.5Å; M211-Y215 WeakPolarHBondContact O-CB 3.41Å; M211-Y215 VanDerWaalsContact O-CD2 3.31Å; M211-Y215 WeakPolarHBondContact O-CD2 3.46Å; M211-Y215 PolarHBondContact O-N 3.07Å; Y215-D249 WeakPolarHBondContact CE2-OD2 3.15Å; Y215-D249 PolarHBondContact OH-OD2 3.22Å; Y215-L251 HydrophobicContact CD1-CD1 3.97Å; Y215-L251 HydrophobicContact CE1-CD1 3.52Å; Y215-L251 HydrophobicContact CE1-CG 3.94Å; Y215-L251 HydrophobicContact CE2-CD1 4.17Å; Y215-L251 HydrophobicContact CG-CD1 4.45Å
216	H	95.6	Very high	95.8	Very high	102 Å²	102	50.9 Å²	50.9	47%	0.472	26%	0.261	S	S	.	.	H	α-helix	trans	-67	-36.4	173.6	-172.3	-113.7	0	0	0	113.2	V182 R212 V214	V182-H216 HydrophobicContact CB-CB 4.36Å; R212-H216 PolarHBondContact O-N 2.87Å; V214-H216 PolarHBondContact O-N 3.4Å
217	Q	95.2	Very high	95.9	Very high	79 Å²	79	53.5 Å²	53.5	37%	0.369	28%	0.279	S	S	.	.	S	Bend	trans	-143.6	68.8	176.6	-62	177.1	-64.7	0	0	110.9	V214 I219 E220 R221	V214-Q217 CarbonylContact O-C 3.3Å; V214-Q217 PolarHBondContact O-N 3.11Å; Q217-I219 VanDerWaalsContact C-N 3.28Å; Q217-I219 PolarHBondContact O-N 2.83Å; Q217-I219 VanDerWaalsContact O-N 3.16Å; Q217-E220 PolarHBondContact O-N 3.2Å; Q217-R221 HydrophobicContact CB-CG 4.05Å; Q217-R221 VanDerWaalsContact O-CB 3.31Å; Q217-R221 WeakPolarHBondContact O-CB 3.44Å; Q217-R221 WeakPolarHBondContact O-CG 3.22Å; Q217-R221 PolarHBondContact O-N 3.03Å
218	P	93.1	Very high	95.9	Very high	54 Å²	54	53.3 Å²	53.3	35%	0.351	28%	0.278	S	S	.	.	H	α-helix	trans	-65	-28	-165.8	24.5	-34.4	0	0	0	113.8	V214 E220 V222	V214-P218 WeakPolarHBondContact O-CA 3.41Å; P218-E220 VanDerWaalsContact C-N 3.3Å; P218-E220 PolarHBondContact O-N 2.88Å; P218-V222 HydrophobicContact CB-CG2 4.29Å; P218-V222 VanDerWaalsContact O-CB 3.25Å; P218-V222 WeakPolarHBondContact O-CB 3.23Å; P218-V222 WeakPolarHBondContact O-CG2 3.4Å; P218-V222 PolarHBondContact O-N 2.96Å
219	I	93	Very high	95.9	Very high	166 Å²	166	49.4 Å²	49.4	85%	0.851	26%	0.257	S	S	*	.	H	α-helix	trans	-61.2	-39.8	-179.7	-59.4	175.5	0	0	0	111.5	Q217	Q217-I219 VanDerWaalsContact C-N 3.28Å; Q217-I219 PolarHBondContact O-N 2.83Å; Q217-I219 VanDerWaalsContact O-N 3.16Å
220	E	94.2	Very high	95.8	Very high	133 Å²	133	56.1 Å²	56.1	62%	0.621	28%	0.283	S	S	*	.	H	α-helix	trans	-96.7	-36.8	-177.2	-64.9	171.5	-176.6	0	0	111.4	Q217 P218	Q217-E220 PolarHBondContact O-N 3.2Å; P218-E220 VanDerWaalsContact C-N 3.3Å; P218-E220 PolarHBondContact O-N 2.88Å
221	R	95.5	Very high	95.6	Very high	17 Å²	17	58.7 Å²	58.7	6%	0.064	30%	0.296	C	S	.	.	H	α-helix	trans	-83	-23.1	-170.3	-64.3	-178.1	-177.2	-160.1	-5.5	114.3	V182 W213 V214 Q217 A223 N224	V182-R221 VanDerWaalsContact O-CZ 3.31Å; V182-R221 PolarHBondContact O-NH1 3.1Å; V182-R221 PolarHBondContact O-NH2 3.08Å; W213-R221 HydrophobicContact CE3-CB 4.19Å; W213-R221 HydrophobicContact CE3-CG 4.24Å; W213-R221 HydrophobicContact CH2-CB 4.03Å; W213-R221 HydrophobicContact CH2-CG 3.6Å; W213-R221 HydrophobicContact CZ2-CG 4.12Å; W213-R221 HydrophobicContact CZ3-CB 3.62Å; W213-R221 HydrophobicContact CZ3-CG 3.68Å; W213-R221 VanDerWaalsContact NE1-NH1 3.16Å; W213-R221 WeakPolarHBondContact O-CD 3.33Å; W213-R221 PolarHBondContact O-NH1 3.11Å; V214-R221 HydrophobicContact CB-CB 4.47Å; V214-R221 HydrophobicContact CG1-CB 4.28Å; V214-R221 HydrophobicContact CG2-CB 4.48Å; Q217-R221 HydrophobicContact CB-CG 4.05Å; Q217-R221 VanDerWaalsContact O-CB 3.31Å; Q217-R221 WeakPolarHBondContact O-CB 3.44Å; Q217-R221 WeakPolarHBondContact O-CG 3.22Å; Q217-R221 PolarHBondContact O-N 3.03Å; R221-A223 PolarHBondContact O-N 3.48Å; R221-N224 PolarHBondContact O-N 2.65Å
222	V	95.3	Very high	95.5	Very high	52 Å²	52	58.3 Å²	58.3	32%	0.315	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-59.9	-29.9	178.5	163.4	0	0	0	0	112.9	V214 P218 N224 L225 L251	V214-V222 HydrophobicContact CG1-CG2 3.95Å; P218-V222 HydrophobicContact CB-CG2 4.29Å; P218-V222 VanDerWaalsContact O-CB 3.25Å; P218-V222 WeakPolarHBondContact O-CB 3.23Å; P218-V222 WeakPolarHBondContact O-CG2 3.4Å; P218-V222 PolarHBondContact O-N 2.96Å; V222-N224 PolarHBondContact O-N 3.14Å; V222-L225 WeakPolarHBondContact O-CB 3.34Å; V222-L225 PolarHBondContact O-N 2.67Å; V222-L225 VanDerWaalsContact O-N 3.1Å; V222-L251 HydrophobicContact CG2-CD1 3.9Å; V222-L251 HydrophobicContact CG2-CD2 3.82Å; V222-L251 HydrophobicContact CG2-CG 4.33Å
223	A	94.3	Very high	95.3	Very high	85 Å²	85	54 Å²	54	70%	0.702	28%	0.278	S	S	*	.	G	3₁₀ helix	trans	-61.2	-25.1	174.5	0	0	0	0	0	113.4	R221	R221-A223 PolarHBondContact O-N 3.48Å
224	N	95.9	Very high	95.1	Very high	49 Å²	49	54.2 Å²	54.2	26%	0.262	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-94.2	-6.4	178.1	-58.4	-69.3	0	0	0	113.1	P186 W213 R221 V222 S227 L228	P186-N224 HydrophobicContact CB-CB 4.41Å; W213-N224 HydrophobicContact CZ3-CB 4.48Å; R221-N224 PolarHBondContact O-N 2.65Å; V222-N224 PolarHBondContact O-N 3.14Å; N224-S227 PolarHBondContact O-N 2.82Å; N224-S227 PolarHBondContact O-OG 2.67Å; N224-L228 HydrophobicContact CB-CD1 4.13Å; N224-L228 WeakPolarHBondContact O-CB 3.48Å; N224-L228 VanDerWaalsContact O-CG 3.3Å; N224-L228 WeakPolarHBondContact O-CG 3.42Å; N224-L228 PolarHBondContact O-N 3.21Å
225	L	96.5	Very high	94.7	Very high	1 Å²	1	54.4 Å²	54.4	1%	0.005	28%	0.281	C	S	.	.	H	α-helix	trans	-59.5	-41.2	-178.1	-179.4	60.8	0	0	0	113.1	M211 V214 V222 S227 L229 L251 I252	M211-L225 HydrophobicContact SD-CD1 3.79Å; V214-L225 HydrophobicContact CG2-CD1 4.25Å; V222-L225 WeakPolarHBondContact O-CB 3.34Å; V222-L225 PolarHBondContact O-N 2.67Å; V222-L225 VanDerWaalsContact O-N 3.1Å; L225-S227 PolarHBondContact O-N 2.97Å; L225-L229 WeakPolarHBondContact O-CB 3.29Å; L225-L229 PolarHBondContact O-N 2.97Å; L225-L251 HydrophobicContact CD2-CB 3.69Å; L225-I252 HydrophobicContact CD1-CD1 4.45Å; L225-I252 HydrophobicContact CD2-CD1 4.22Å
226	P	96.3	Very high	94	Very high	18 Å²	18	51.2 Å²	51.2	12%	0.117	27%	0.273	C	S	.	.	H	α-helix	trans	-65.3	-36.3	178.6	-21.5	33.4	0	0	0	114.3	R230 E257	P226-R230 WeakPolarHBondContact O-CB 3.44Å; P226-R230 PolarHBondContact O-N 3.45Å; P226-E257 HydrophobicContact CB-CB 3.95Å; P226-E257 HydrophobicContact CG-CB 4.34Å
227	S	95.6	Very high	93.6	Very high	55 Å²	55	46.6 Å²	46.6	39%	0.385	25%	0.251	S	S	.	.	H	α-helix	trans	-77.1	-37.5	179.7	51.7	0	0	0	0	112.2	N224 L225 N231	N224-S227 PolarHBondContact O-N 2.82Å; N224-S227 PolarHBondContact O-OG 2.67Å; L225-S227 PolarHBondContact O-N 2.97Å; S227-N231 PolarHBondContact O-ND2 2.9Å
228	L	96.7	Very high	93	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.005	24%	0.239	C	C	.	.	H	α-helix	trans	-66.2	-51.9	172.7	-66.6	168.7	0	0	0	110.9	L189 L190 I193 V210 W213 V214 N224 R230 N231	L189-L228 HydrophobicContact CD2-CD1 3.96Å; L189-L228 HydrophobicContact CD2-CD2 3.96Å; L189-L228 HydrophobicContact CG-CD2 4.03Å; L190-L228 HydrophobicContact CB-CD2 4.25Å; L190-L228 HydrophobicContact CD1-CD2 4.43Å; I193-L228 HydrophobicContact CD1-CB 4.16Å; I193-L228 HydrophobicContact CD1-CD2 3.77Å; V210-L228 HydrophobicContact CG1-CB 3.84Å; V210-L228 HydrophobicContact CG1-CD1 4.2Å; W213-L228 HydrophobicContact CE3-CD1 3.86Å; W213-L228 HydrophobicContact CZ3-CD1 3.67Å; V214-L228 HydrophobicContact CG2-CD1 4.41Å; N224-L228 HydrophobicContact CB-CD1 4.13Å; N224-L228 WeakPolarHBondContact O-CB 3.48Å; N224-L228 VanDerWaalsContact O-CG 3.3Å; N224-L228 WeakPolarHBondContact O-CG 3.42Å; N224-L228 PolarHBondContact O-N 3.21Å; L228-R230 PolarHBondContact O-N 3.18Å; L228-N231 PolarHBondContact O-N 3.17Å
229	L	95.9	Very high	92.6	Very high	1 Å²	1	42.3 Å²	42.3	1%	0.005	23%	0.23	C	C	.	.	H	α-helix	trans	-58.6	-33.5	-177.7	-172.5	70.7	0	0	0	112.9	Y207 L225 N231 I232 L234 I252 C258 L261	Y207-L229 HydrophobicContact CD2-CD1 4.11Å; Y207-L229 HydrophobicContact CE2-CD1 4.14Å; L225-L229 WeakPolarHBondContact O-CB 3.29Å; L225-L229 PolarHBondContact O-N 2.97Å; L229-N231 PolarHBondContact O-N 3.27Å; L229-I232 HydrophobicContact CD1-CD1 4.23Å; L229-I232 WeakPolarHBondContact O-CB 3.33Å; L229-I232 PolarHBondContact O-N 3.35Å; L229-I232 VanDerWaalsContact O-N 3.09Å; L229-L234 HydrophobicContact CD1-CD1 4.13Å; L229-L234 HydrophobicContact CD1-CD2 3.88Å; L229-L234 HydrophobicContact CD1-CG 4.42Å; L229-L234 HydrophobicContact CD2-CD1 4.43Å; L229-L234 HydrophobicContact CG-CD1 4.1Å; L229-I252 HydrophobicContact CD1-CD1 4.13Å; L229-I252 HydrophobicContact CD2-CD1 3.61Å; L229-C258 HydrophobicContact CD2-CB 3.68Å; L229-L261 HydrophobicContact CB-CD1 4.26Å; L229-L261 HydrophobicContact CD2-CB 4.39Å; L229-L261 HydrophobicContact CD2-CD1 4.1Å; L229-L261 HydrophobicContact CG-CD1 4.21Å
230	R	95	Very high	92.1	Very high	140 Å²	140	40.7 Å²	40.7	53%	0.528	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-24.7	176.6	-175.6	176.7	-64.6	-141.3	1.4	113.9	P226 L228 L261	P226-R230 WeakPolarHBondContact O-CB 3.44Å; P226-R230 PolarHBondContact O-N 3.45Å; L228-R230 PolarHBondContact O-N 3.18Å; R230-L261 HydrophobicContact CB-CD1 4.04Å; R230-L261 HydrophobicContact CB-CD2 4.37Å; R230-L261 HydrophobicContact CG-CD2 4.3Å
231	N	94.5	Very high	91.9	Very high	55 Å²	55	35.5 Å²	35.5	29%	0.294	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96	3.8	180	-66.7	-76.9	0	0	0	113	L190 I193 S227 L228 L229 R286	L190-N231 HydrophobicContact CD1-CB 4.49Å; L190-N231 WeakPolarHBondContact CD1-ND2 3.47Å; I193-N231 HydrophobicContact CD1-CB 4.35Å; I193-N231 HydrophobicContact CG1-CB 4.3Å; S227-N231 PolarHBondContact O-ND2 2.9Å; L228-N231 PolarHBondContact O-N 3.17Å; L229-N231 PolarHBondContact O-N 3.27Å; N231-R286 PolarHBondContact O-NH2 3.39Å
232	I	94.7	Very high	91.7	Very high	3 Å²	3	34.8 Å²	34.8	2%	0.015	19%	0.186	C	C	.	.	S	Bend	trans	-97.2	131.6	171.5	-44.7	-174.5	0	0	0	108.4	E203 V206 V210 L229 L234 M237	E203-I232 HydrophobicContact CG-CG2 3.74Å; E203-I232 WeakPolarHBondContact OE1-CA 3.27Å; E203-I232 WeakPolarHBondContact OE1-CG2 3.32Å; V206-I232 HydrophobicContact CB-CG2 4.37Å; V206-I232 HydrophobicContact CG1-CG1 4.26Å; V206-I232 HydrophobicContact CG1-CG2 4.34Å; V210-I232 HydrophobicContact CB-CD1 3.9Å; V210-I232 HydrophobicContact CG1-CD1 4.21Å; V210-I232 HydrophobicContact CG2-CD1 3.81Å; L229-I232 HydrophobicContact CD1-CD1 4.23Å; L229-I232 WeakPolarHBondContact O-CB 3.33Å; L229-I232 PolarHBondContact O-N 3.35Å; L229-I232 VanDerWaalsContact O-N 3.09Å; I232-L234 HydrophobicContact CG2-CD2 4.39Å; I232-L234 PolarHBondContact O-N 2.83Å; I232-M237 HydrophobicContact CG2-CE 3.43Å; I232-M237 VanDerWaalsContact CG2-CE 3.43Å
233	R	91.8	Very high	91.5	Very high	11 Å²	11	34.3 Å²	34.3	4%	0.042	18%	0.184	C	C	.	.			trans	-82.7	64	-175.5	-62.5	141	-164.9	-105	4.1	111.1	E196 E203 S235 V236 R282 R284 Q285 R286	E196-R233 IonicContact OE1-NH2 3.26Å; E196-R233 PolarHBondContact OE1-NH2 3.28Å; E196-R233 VanDerWaalsContact OE1-NH2 3.14Å; E196-R233 IonicContact OE2-CZ 3.64Å; E196-R233 IonicContact OE2-NH1 3.61Å; E196-R233 PolarHBondContact OE2-NH1 2.95Å; E196-R233 VanDerWaalsContact OE2-NH1 3.14Å; E196-R233 IonicContact OE2-NH2 2.93Å; E196-R233 PolarHBondContact OE2-NH2 3.49Å; E203-R233 HydrophobicContact CG-CB 3.94Å; E203-R233 PolarHBondContact OE1-N 2.74Å; R233-S235 PolarHBondContact O-N 3.07Å; R233-V236 HydrophobicContact CB-CB 4.26Å; R233-V236 HydrophobicContact CB-CG2 3.92Å; R233-V236 WeakPolarHBondContact O-CB 3.24Å; R233-V236 PolarHBondContact O-N 3.2Å; R233-R282 WeakPolarHBondContact CA-O 3.44Å; R233-R284 WeakPolarHBondContact CD-O 3.38Å; R233-R284 WeakPolarHBondContact CG-O 3.34Å; R233-R284 PolarHBondContact NH1-O 2.71Å; R233-Q285 PolarHBondContact NH1-O 3Å; R233-Q285 VanDerWaalsContact NH1-O 3.13Å; R233-R286 VanDerWaalsContact CZ-CG 3.41Å; R233-R286 VanDerWaalsContact NE-CG 3.34Å
234	L	93.5	Very high	91.4	Very high	8 Å²	8	33.7 Å²	33.7	4%	0.042	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-48.6	-39.1	-174.6	-65.1	174.8	0	0	0	112.9	Y207 L229 I232 V236 M237 L242 V246 L261 V262 A265	Y207-L234 HydrophobicContact CD2-CD2 4.48Å; L229-L234 HydrophobicContact CD1-CD1 4.13Å; L229-L234 HydrophobicContact CD1-CD2 3.88Å; L229-L234 HydrophobicContact CD1-CG 4.42Å; L229-L234 HydrophobicContact CD2-CD1 4.43Å; L229-L234 HydrophobicContact CG-CD1 4.1Å; I232-L234 HydrophobicContact CG2-CD2 4.39Å; I232-L234 PolarHBondContact O-N 2.83Å; L234-V236 PolarHBondContact O-N 3.13Å; L234-V236 VanDerWaalsContact O-N 3.16Å; L234-M237 HydrophobicContact CD2-CE 3.76Å; L234-M237 HydrophobicContact CD2-SD 3.92Å; L234-M237 WeakPolarHBondContact O-CB 3.41Å; L234-M237 PolarHBondContact O-N 2.73Å; L234-L242 HydrophobicContact CB-CD2 4.06Å; L234-L242 HydrophobicContact CD2-CD2 4.4Å; L234-L242 WeakPolarHBondContact O-CD1 3.43Å; L234-V246 HydrophobicContact CD2-CG1 4.44Å; L234-L261 HydrophobicContact CD1-CB 4.16Å; L234-V262 HydrophobicContact CD1-CG2 4.03Å; L234-A265 HydrophobicContact CB-CB 3.63Å
235	S	88.7	Confident	91.4	Very high	4 Å²	4	34.2 Å²	34.2	3%	0.028	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-77.7	6.2	-178.4	81.9	0	0	0	0	115.7	R233 F268 H269 F283	R233-S235 PolarHBondContact O-N 3.07Å; S235-F268 WeakPolarHBondContact O-CD1 3.45Å; S235-F268 VanDerWaalsContact O-CE1 3.31Å; S235-F268 WeakPolarHBondContact O-CE1 3.38Å; S235-H269 WeakPolarHBondContact CA-NE2 3.48Å; S235-H269 PolarHBondContact O-CE1 3.43Å; S235-H269 PolarHBondContact O-NE2 3.05Å; S235-F283 WeakPolarHBondContact OG-CA 3.41Å
236	V	83.6	Confident	91.3	Very high	41 Å²	41	34.2 Å²	34.2	25%	0.248	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-108.1	-10.2	174.9	-171.6	0	0	0	0	110.7	R233 L234 Q285	R233-V236 HydrophobicContact CB-CB 4.26Å; R233-V236 HydrophobicContact CB-CG2 3.92Å; R233-V236 WeakPolarHBondContact O-CB 3.24Å; R233-V236 PolarHBondContact O-N 3.2Å; L234-V236 PolarHBondContact O-N 3.13Å; L234-V236 VanDerWaalsContact O-N 3.16Å; V236-Q285 HydrophobicContact CG1-CB 3.9Å; V236-Q285 HydrophobicContact CG1-CG 3.97Å
237	M	87.3	Confident	91.2	Very high	5 Å²	5	35.4 Å²	35.4	3%	0.025	18%	0.178	C	C	.	.	S	Bend	trans	-70.3	166.9	169	-59.2	174.4	-179.1	0	0	110.9	E203 E204 I232 L234 F241 L242 V246 H269	E203-M237 HydrophobicContact CB-CE 4.19Å; E203-M237 HydrophobicContact CB-CG 4.13Å; E203-M237 HydrophobicContact CG-CE 3.78Å; E203-M237 WeakPolarHBondContact O-CE 3.45Å; E204-M237 HydrophobicContact CG-CB 4.01Å; E204-M237 HydrophobicContact CG-CG 3.85Å; E204-M237 HydrophobicContact CG-SD 4.41Å; I232-M237 HydrophobicContact CG2-CE 3.43Å; I232-M237 VanDerWaalsContact CG2-CE 3.43Å; L234-M237 HydrophobicContact CD2-CE 3.76Å; L234-M237 HydrophobicContact CD2-SD 3.92Å; L234-M237 WeakPolarHBondContact O-CB 3.41Å; L234-M237 PolarHBondContact O-N 2.73Å; M237-F241 HydrophobicContact SD-CD1 3.83Å; M237-F241 HydrophobicContact SD-CE1 4.13Å; M237-L242 HydrophobicContact CB-CG 4.24Å; M237-L242 HydrophobicContact SD-CD2 4.09Å; M237-V246 HydrophobicContact SD-CG2 4.45Å; M237-H269 PolarHBondContact O-CE1 3.01Å
238	S	82.5	Confident	91.1	Very high	15 Å²	15	38 Å²	38	11%	0.105	18%	0.183	C	C	.	.			trans	-63.7	143.1	169.7	63.7	0	0	0	0	111.1	E204 R240 F241 L242 D482	E204-S238 WeakPolarHBondContact OE1-CB 3.4Å; E204-S238 PolarHBondContact OE1-N 2.73Å; E204-S238 PolarHBondContact OE1-OG 3.39Å; S238-R240 PolarHBondContact O-N 2.93Å; S238-R240 VanDerWaalsContact O-N 3.13Å; S238-F241 PolarHBondContact O-N 2.64Å; S238-F241 WeakPolarHBondContact OG-CB 3.48Å; S238-F241 PolarHBondContact OG-N 3.2Å; S238-L242 PolarHBondContact O-N 3.48Å; S238-L242 VanDerWaalsContact O-N 3.08Å; S238-D482 WeakPolarHBondContact CA-OD1 3.33Å
239	V	83.6	Confident	91.1	Very high	28 Å²	28	39 Å²	39	17%	0.17	19%	0.188	C	C	.	.	H	α-helix	trans	-56.3	-29.6	170.6	170.5	0	0	0	0	110.5	T243 H269 D482 W510	V239-T243 HydrophobicContact CG1-CG2 4.44Å; V239-T243 WeakPolarHBondContact O-CB 3.42Å; V239-T243 WeakPolarHBondContact O-CG2 3.34Å; V239-T243 PolarHBondContact O-N 3.23Å; V239-T243 PolarHBondContact O-OG1 3.37Å; V239-H269 HydrophobicContact CG2-CB 3.65Å; V239-H269 VanDerWaalsContact CG2-CG 3.42Å; V239-H269 VanDerWaalsContact CG2-ND1 3.33Å; V239-H269 WeakPolarHBondContact CG2-ND1 3.48Å; V239-D482 WeakPolarHBondContact CB-OD2 3.38Å; V239-D482 VanDerWaalsContact CG2-OD2 3.28Å; V239-D482 WeakPolarHBondContact CG2-OD2 3.5Å; V239-D482 PolarHBondContact N-OD2 3.46Å; V239-W510 HydrophobicContact CB-CD2 4.31Å; V239-W510 HydrophobicContact CB-CG 4.38Å; V239-W510 HydrophobicContact CB-CZ2 4.48Å; V239-W510 HydrophobicContact CG1-CD2 3.92Å; V239-W510 HydrophobicContact CG1-CE3 4.26Å; V239-W510 HydrophobicContact CG1-CG 4.39Å; V239-W510 HydrophobicContact CG1-CH2 4.34Å; V239-W510 HydrophobicContact CG1-CZ2 4.03Å; V239-W510 HydrophobicContact CG1-CZ3 4.46Å
240	R	83.7	Confident	91.1	Very high	133 Å²	133	47.2 Å²	47.2	50%	0.502	22%	0.219	S	C	.	.	H	α-helix	trans	-66.5	-53.4	175.9	-162.9	171.5	-166.7	165.6	0.4	112	S238 L242 T243 D244 W510	S238-R240 PolarHBondContact O-N 2.93Å; S238-R240 VanDerWaalsContact O-N 3.13Å; R240-L242 VanDerWaalsContact C-N 3.3Å; R240-L242 PolarHBondContact O-N 3.17Å; R240-T243 PolarHBondContact O-N 3.12Å; R240-T243 VanDerWaalsContact O-N 3.17Å; R240-T243 PolarHBondContact O-OG1 2.96Å; R240-D244 WeakPolarHBondContact CG-OD2 3.38Å; R240-D244 IonicContact NE-OD2 2.7Å; R240-D244 WeakPolarHBondContact O-CB 3.34Å; R240-D244 PolarHBondContact O-N 3.46Å; R240-W510 HydrophobicContact CB-CZ2 3.89Å; R240-W510 HydrophobicContact CG-CZ2 4.22Å
241	F	89.2	Confident	91.1	Very high	24 Å²	24	41.2 Å²	41.2	11%	0.105	20%	0.198	C	C	.	.	H	α-helix	trans	-60.8	-40.5	178	-170.2	-93.7	0	0	0	112.1	E204 Y207 M237 S238 T243 V245 V246	E204-F241 HydrophobicContact CB-CD1 4.02Å; E204-F241 HydrophobicContact CB-CD2 4.12Å; E204-F241 HydrophobicContact CB-CE1 3.89Å; E204-F241 HydrophobicContact CB-CE2 4Å; E204-F241 HydrophobicContact CB-CG 4.14Å; E204-F241 HydrophobicContact CB-CZ 3.88Å; E204-F241 HydrophobicContact CG-CB 4.17Å; E204-F241 HydrophobicContact CG-CD1 3.78Å; E204-F241 HydrophobicContact CG-CD2 4.16Å; E204-F241 HydrophobicContact CG-CE1 4.18Å; E204-F241 HydrophobicContact CG-CG 3.78Å; E204-F241 WeakPolarHBondContact OE1-CB 3.07Å; E204-F241 WeakPolarHBondContact OE2-CD2 3.39Å; E204-F241 WeakPolarHBondContact OE2-CG 3.32Å; Y207-F241 AromaticContact CD1-CE1 3.52Å; Y207-F241 HydrophobicContact CD1-CE1 3.52Å; Y207-F241 AromaticContact CD1-CZ 3.6Å; Y207-F241 HydrophobicContact CD1-CZ 3.6Å; Y207-F241 HydrophobicContact CE1-CE1 4.1Å; Y207-F241 HydrophobicContact CE1-CZ 4.15Å; Y207-F241 AromaticContact CG-CE1 3.97Å; Y207-F241 HydrophobicContact CG-CE1 3.97Å; Y207-F241 HydrophobicContact CG-CZ 4.41Å; M237-F241 HydrophobicContact SD-CD1 3.83Å; M237-F241 HydrophobicContact SD-CE1 4.13Å; S238-F241 PolarHBondContact O-N 2.64Å; S238-F241 WeakPolarHBondContact OG-CB 3.48Å; S238-F241 PolarHBondContact OG-N 3.2Å; F241-T243 PolarHBondContact O-N 2.97Å; F241-V245 HydrophobicContact CD1-CB 4.49Å; F241-V245 HydrophobicContact CD2-CB 4.12Å; F241-V245 HydrophobicContact CD2-CG2 3.73Å; F241-V245 HydrophobicContact CE1-CB 4.41Å; F241-V245 HydrophobicContact CE1-CG1 4.47Å; F241-V245 HydrophobicContact CE2-CB 4.03Å; F241-V245 HydrophobicContact CE2-CG1 4.09Å; F241-V245 HydrophobicContact CE2-CG2 3.82Å; F241-V245 HydrophobicContact CG-CB 4.34Å; F241-V245 HydrophobicContact CG-CG2 4.3Å; F241-V245 HydrophobicContact CZ-CB 4.17Å; F241-V245 HydrophobicContact CZ-CG1 3.97Å; F241-V245 HydrophobicContact CZ-CG2 4.46Å; F241-V245 WeakPolarHBondContact O-CA 3.14Å; F241-V245 WeakPolarHBondContact O-CB 3.37Å; F241-V245 PolarHBondContact O-N 2.86Å; F241-V246 HydrophobicContact CD1-CG2 3.65Å; F241-V246 HydrophobicContact CE1-CG2 3.6Å; F241-V246 PolarHBondContact O-N 2.84Å
242	L	92	Very high	91.2	Very high	1 Å²	1	38.7 Å²	38.7	1%	0.005	18%	0.184	C	C	.	.	H	α-helix	trans	-57.8	-43.6	174.3	-74.5	177.5	0	0	0	113.2	L234 M237 S238 R240 V246 D247 A265 H269	L234-L242 HydrophobicContact CB-CD2 4.06Å; L234-L242 HydrophobicContact CD2-CD2 4.4Å; L234-L242 WeakPolarHBondContact O-CD1 3.43Å; M237-L242 HydrophobicContact CB-CG 4.24Å; M237-L242 HydrophobicContact SD-CD2 4.09Å; S238-L242 PolarHBondContact O-N 3.48Å; S238-L242 VanDerWaalsContact O-N 3.08Å; R240-L242 VanDerWaalsContact C-N 3.3Å; R240-L242 PolarHBondContact O-N 3.17Å; L242-V246 HydrophobicContact CD2-CB 4.45Å; L242-V246 HydrophobicContact CD2-CG2 4.29Å; L242-D247 WeakPolarHBondContact O-CB 3.35Å; L242-D247 PolarHBondContact O-N 3.33Å; L242-A265 HydrophobicContact CD1-CB 4.19Å; L242-A265 HydrophobicContact CD2-CB 4.45Å; L242-H269 VanDerWaalsContact CD1-NE2 3.3Å; L242-H269 WeakPolarHBondContact CD1-NE2 3.48Å
243	T	91	Very high	91.2	Very high	43 Å²	43	45.2 Å²	45.2	26%	0.264	21%	0.208	S	C	.	.	H	α-helix	trans	-91.3	-31	-174.1	54.2	0	0	0	0	114	V239 R240 F241 K248	V239-T243 HydrophobicContact CG1-CG2 4.44Å; V239-T243 WeakPolarHBondContact O-CB 3.42Å; V239-T243 WeakPolarHBondContact O-CG2 3.34Å; V239-T243 PolarHBondContact O-N 3.23Å; V239-T243 PolarHBondContact O-OG1 3.37Å; R240-T243 PolarHBondContact O-N 3.12Å; R240-T243 VanDerWaalsContact O-N 3.17Å; R240-T243 PolarHBondContact O-OG1 2.96Å; F241-T243 PolarHBondContact O-N 2.97Å; T243-K248 VanDerWaalsContact O-CE 3.31Å; T243-K248 WeakPolarHBondContact O-CE 3.43Å
244	D	91.7	Very high	91.3	Very high	72 Å²	72	51 Å²	51	39%	0.385	24%	0.236	S	C	.	.	H	α-helix	trans	-89.8	-28.3	-179.6	-81.9	-33.6	0	0	0	113.8	R240 K248	R240-D244 WeakPolarHBondContact CG-OD2 3.38Å; R240-D244 IonicContact NE-OD2 2.7Å; R240-D244 WeakPolarHBondContact O-CB 3.34Å; R240-D244 PolarHBondContact O-N 3.46Å; D244-K248 VanDerWaalsContact O-CD 3.28Å; D244-K248 WeakPolarHBondContact O-CD 3.45Å; D244-K248 PolarHBondContact O-NZ 2.89Å; D244-K248 IonicContact OD1-NZ 3.23Å; D244-K248 PolarHBondContact OD1-NZ 3.43Å
245	V	95	Very high	91.4	Very high	60 Å²	60	51.9 Å²	51.9	36%	0.364	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.4	-67.8	-179.6	-172	0	0	0	0	111.1	Y207 F241 D247 K248 D249	Y207-V245 HydrophobicContact CE1-CG1 4.19Å; F241-V245 HydrophobicContact CD1-CB 4.49Å; F241-V245 HydrophobicContact CD2-CB 4.12Å; F241-V245 HydrophobicContact CD2-CG2 3.73Å; F241-V245 HydrophobicContact CE1-CB 4.41Å; F241-V245 HydrophobicContact CE1-CG1 4.47Å; F241-V245 HydrophobicContact CE2-CB 4.03Å; F241-V245 HydrophobicContact CE2-CG1 4.09Å; F241-V245 HydrophobicContact CE2-CG2 3.82Å; F241-V245 HydrophobicContact CG-CB 4.34Å; F241-V245 HydrophobicContact CG-CG2 4.3Å; F241-V245 HydrophobicContact CZ-CB 4.17Å; F241-V245 HydrophobicContact CZ-CG1 3.97Å; F241-V245 HydrophobicContact CZ-CG2 4.46Å; F241-V245 WeakPolarHBondContact O-CA 3.14Å; F241-V245 WeakPolarHBondContact O-CB 3.37Å; F241-V245 PolarHBondContact O-N 2.86Å; V245-D247 PolarHBondContact O-N 3.36Å; V245-K248 PolarHBondContact O-N 3.14Å; V245-D249 PolarHBondContact O-N 3.45Å; V245-D249 VanDerWaalsContact O-N 3.07Å
246	V	96.1	Very high	91.7	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-63	-47.6	-167.7	-173.5	0	0	0	0	112.2	Y207 L234 M237 F241 L242 K248 D249 I252 V262	Y207-V246 HydrophobicContact CD1-CG2 4.35Å; Y207-V246 HydrophobicContact CD2-CG1 4.48Å; Y207-V246 HydrophobicContact CD2-CG2 4.17Å; Y207-V246 HydrophobicContact CE1-CG2 4.07Å; Y207-V246 HydrophobicContact CE2-CB 4.32Å; Y207-V246 HydrophobicContact CE2-CG1 3.75Å; Y207-V246 HydrophobicContact CE2-CG2 3.91Å; Y207-V246 HydrophobicContact CG-CG2 4.38Å; L234-V246 HydrophobicContact CD2-CG1 4.44Å; M237-V246 HydrophobicContact SD-CG2 4.45Å; F241-V246 HydrophobicContact CD1-CG2 3.65Å; F241-V246 HydrophobicContact CE1-CG2 3.6Å; F241-V246 PolarHBondContact O-N 2.84Å; L242-V246 HydrophobicContact CD2-CB 4.45Å; L242-V246 HydrophobicContact CD2-CG2 4.29Å; V246-K248 PolarHBondContact O-N 3.43Å; V246-D249 PolarHBondContact O-N 3.02Å; V246-I252 HydrophobicContact CG1-CG1 4.47Å; V246-V262 HydrophobicContact CG1-CG2 3.65Å
247	D	92.8	Very high	92.3	Very high	43 Å²	43	60.7 Å²	60.7	23%	0.23	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-74.1	-4.4	178.9	-163.9	48.3	0	0	0	113.5	L242 V245 R253 V262 K266	L242-D247 WeakPolarHBondContact O-CB 3.35Å; L242-D247 PolarHBondContact O-N 3.33Å; V245-D247 PolarHBondContact O-N 3.36Å; D247-R253 PolarHBondContact O-NE 2.92Å; D247-R253 PolarHBondContact O-NH2 3.16Å; D247-V262 HydrophobicContact CB-CG1 4.35Å; D247-K266 IonicContact OD1-NZ 2.71Å; D247-K266 PolarHBondContact OD1-NZ 2.84Å; D247-K266 IonicContact OD2-NZ 2.97Å; D247-K266 PolarHBondContact OD2-NZ 3.36Å; D247-K266 VanDerWaalsContact OD2-NZ 3.11Å
248	K	94.8	Very high	92.8	Very high	110 Å²	110	60.5 Å²	60.5	48%	0.478	28%	0.283	S	S	.	.	G	3₁₀ helix	trans	-103.9	-17.5	173.8	-62.1	-169.4	-159.9	149.4	0	113.5	T243 D244 V245 V246	T243-K248 VanDerWaalsContact O-CE 3.31Å; T243-K248 WeakPolarHBondContact O-CE 3.43Å; D244-K248 VanDerWaalsContact O-CD 3.28Å; D244-K248 WeakPolarHBondContact O-CD 3.45Å; D244-K248 PolarHBondContact O-NZ 2.89Å; D244-K248 IonicContact OD1-NZ 3.23Å; D244-K248 PolarHBondContact OD1-NZ 3.43Å; V245-K248 PolarHBondContact O-N 3.14Å; V246-K248 PolarHBondContact O-N 3.43Å
249	D	96.5	Very high	93.5	Very high	23 Å²	23	64.9 Å²	64.9	12%	0.123	30%	0.297	C	S	.	.			trans	-58.6	139.1	179.4	-179.8	-89.4	0	0	0	112.7	M211 Y215 V245 V246 L251 I252 R253	M211-D249 WeakPolarHBondContact CE-OD1 3.45Å; Y215-D249 WeakPolarHBondContact CE2-OD2 3.15Å; Y215-D249 PolarHBondContact OH-OD2 3.22Å; V245-D249 PolarHBondContact O-N 3.45Å; V245-D249 VanDerWaalsContact O-N 3.07Å; V246-D249 PolarHBondContact O-N 3.02Å; D249-L251 WeakPolarHBondContact OD1-CA 3.19Å; D249-L251 WeakPolarHBondContact OD1-CB 3.33Å; D249-L251 PolarHBondContact OD1-N 2.9Å; D249-I252 HydrophobicContact CB-CB 4.11Å; D249-I252 HydrophobicContact CB-CG1 3.81Å; D249-I252 PolarHBondContact OD1-N 2.93Å; D249-R253 WeakPolarHBondContact O-CB 3.35Å; D249-R253 VanDerWaalsContact O-CG 3.25Å; D249-R253 WeakPolarHBondContact O-CG 3.46Å; D249-R253 PolarHBondContact O-N 3.29Å; D249-R253 VanDerWaalsContact O-N 3.07Å
250	R	95.4	Very high	94.1	Very high	173 Å²	173	68.5 Å²	68.5	65%	0.653	32%	0.316	S	S	*	.	H	α-helix	trans	-68.6	-40.7	-175.5	173	178.4	160	178.5	-6.5	112.8	Q254	R250-Q254 WeakPolarHBondContact O-CB 3.29Å; R250-Q254 VanDerWaalsContact O-CG 3.24Å; R250-Q254 WeakPolarHBondContact O-CG 3.33Å; R250-Q254 PolarHBondContact O-N 3.33Å; R250-Q254 VanDerWaalsContact O-N 3.17Å
251	L	94.8	Very high	94.6	Very high	14 Å²	14	62.9 Å²	62.9	7%	0.073	30%	0.295	C	S	.	.	H	α-helix	trans	-74.3	-40.9	-176.1	-56.7	179.7	0	0	0	110.2	M211 V214 Y215 V222 L225 D249 R253 Q254 S255	M211-L251 HydrophobicContact CE-CB 4.48Å; M211-L251 HydrophobicContact CE-CD1 4.26Å; V214-L251 HydrophobicContact CG1-CD1 3.76Å; Y215-L251 HydrophobicContact CD1-CD1 3.97Å; Y215-L251 HydrophobicContact CE1-CD1 3.52Å; Y215-L251 HydrophobicContact CE1-CG 3.94Å; Y215-L251 HydrophobicContact CE2-CD1 4.17Å; Y215-L251 HydrophobicContact CG-CD1 4.45Å; V222-L251 HydrophobicContact CG2-CD1 3.9Å; V222-L251 HydrophobicContact CG2-CD2 3.82Å; V222-L251 HydrophobicContact CG2-CG 4.33Å; L225-L251 HydrophobicContact CD2-CB 3.69Å; D249-L251 WeakPolarHBondContact OD1-CA 3.19Å; D249-L251 WeakPolarHBondContact OD1-CB 3.33Å; D249-L251 PolarHBondContact OD1-N 2.9Å; L251-R253 PolarHBondContact O-N 2.87Å; L251-Q254 PolarHBondContact O-N 2.93Å; L251-S255 PolarHBondContact O-N 3.38Å
252	I	95.7	Very high	95	Very high	1 Å²	1	61.7 Å²	61.7	1%	0.005	29%	0.29	C	S	.	.	H	α-helix	trans	-55.7	-51.5	170.6	-59.9	-65.8	0	0	0	110.2	Y207 L225 L229 V246 D249 Q254 S255 C258 V262	Y207-I252 HydrophobicContact CE2-CD1 4.36Å; L225-I252 HydrophobicContact CD1-CD1 4.45Å; L225-I252 HydrophobicContact CD2-CD1 4.22Å; L229-I252 HydrophobicContact CD1-CD1 4.13Å; L229-I252 HydrophobicContact CD2-CD1 3.61Å; V246-I252 HydrophobicContact CG1-CG1 4.47Å; D249-I252 HydrophobicContact CB-CB 4.11Å; D249-I252 HydrophobicContact CB-CG1 3.81Å; D249-I252 PolarHBondContact OD1-N 2.93Å; I252-Q254 PolarHBondContact O-N 3.3Å; I252-S255 PolarHBondContact O-N 3.29Å; I252-S255 VanDerWaalsContact O-O 3.09Å; I252-C258 HydrophobicContact CD1-CB 4.1Å; I252-C258 HydrophobicContact CG2-CB 4.26Å; I252-V262 HydrophobicContact CG2-CG2 4.03Å
253	R	95.1	Very high	95	Very high	140 Å²	140	64.9 Å²	64.9	53%	0.528	31%	0.307	S	S	.	.	H	α-helix	trans	-61.7	-26.1	179.7	-77.2	176.7	171.8	-158.1	-4	114.8	D247 D249 L251	D247-R253 PolarHBondContact O-NE 2.92Å; D247-R253 PolarHBondContact O-NH2 3.16Å; D249-R253 WeakPolarHBondContact O-CB 3.35Å; D249-R253 VanDerWaalsContact O-CG 3.25Å; D249-R253 WeakPolarHBondContact O-CG 3.46Å; D249-R253 PolarHBondContact O-N 3.29Å; D249-R253 VanDerWaalsContact O-N 3.07Å; L251-R253 PolarHBondContact O-N 2.87Å
254	Q	93.9	Very high	95.1	Very high	133 Å²	133	65 Å²	65	62%	0.621	31%	0.307	S	S	*	.	H	α-helix	trans	-84.5	-15.1	-179.4	-75.7	179.5	-23.7	0	0	113.5	R250 L251 I252	R250-Q254 WeakPolarHBondContact O-CB 3.29Å; R250-Q254 VanDerWaalsContact O-CG 3.24Å; R250-Q254 WeakPolarHBondContact O-CG 3.33Å; R250-Q254 PolarHBondContact O-N 3.33Å; R250-Q254 VanDerWaalsContact O-N 3.17Å; L251-Q254 PolarHBondContact O-N 2.93Å; I252-Q254 PolarHBondContact O-N 3.3Å
255	S	95.6	Very high	95.2	Very high	26 Å²	26	61.7 Å²	61.7	18%	0.182	29%	0.289	C	S	.	.			trans	-107.5	125.7	177.8	174.2	0	0	0	0	111.6	L251 I252 C258 R259	L251-S255 PolarHBondContact O-N 3.38Å; I252-S255 PolarHBondContact O-N 3.29Å; I252-S255 VanDerWaalsContact O-O 3.09Å; S255-C258 VanDerWaalsContact CB-SG 3.54Å; S255-C258 PolarHBondContact O-N 2.99Å; S255-C258 PolarHBondContact OG-N 3.14Å; S255-C258 PolarHBondContact OG-SG 3.41Å; S255-R259 WeakPolarHBondContact O-CG 3.28Å; S255-R259 PolarHBondContact O-N 3.3Å
256	L	95.4	Very high	95	Very high	124 Å²	124	60.7 Å²	60.7	65%	0.649	28%	0.28	S	S	*	.	H	α-helix	trans	-64.1	-46.9	175.6	-66.1	175.6	0	0	0	111.1	C258 R259 D260	L256-C258 VanDerWaalsContact C-N 3.27Å; L256-C258 PolarHBondContact O-N 3.42Å; L256-R259 WeakPolarHBondContact O-CB 3.41Å; L256-R259 PolarHBondContact O-N 3.11Å; L256-D260 PolarHBondContact O-N 2.88Å
257	E	96.7	Very high	94.7	Very high	107 Å²	107	66.2 Å²	66.2	50%	0.5	30%	0.301	S	S	.	.	H	α-helix	trans	-61.2	-34	179.2	-65.5	-178.8	-129.7	0	0	113	P226 L261	P226-E257 HydrophobicContact CB-CB 3.95Å; P226-E257 HydrophobicContact CG-CB 4.34Å; E257-L261 WeakPolarHBondContact O-CG 3.46Å; E257-L261 PolarHBondContact O-N 3.35Å
258	C	97	Very high	94.5	Very high	0 Å²	0	65 Å²	65	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-71.1	-36.6	175.5	-63.3	0	0	0	0	111.9	L229 I252 S255 L256 V262	L229-C258 HydrophobicContact CD2-CB 3.68Å; I252-C258 HydrophobicContact CD1-CB 4.1Å; I252-C258 HydrophobicContact CG2-CB 4.26Å; S255-C258 VanDerWaalsContact CB-SG 3.54Å; S255-C258 PolarHBondContact O-N 2.99Å; S255-C258 PolarHBondContact OG-N 3.14Å; S255-C258 PolarHBondContact OG-SG 3.41Å; L256-C258 VanDerWaalsContact C-N 3.27Å; L256-C258 PolarHBondContact O-N 3.42Å; C258-V262 WeakPolarHBondContact O-CG2 3.42Å; C258-V262 PolarHBondContact O-N 3.43Å
259	R	96.5	Very high	94	Very high	108 Å²	108	61.6 Å²	61.6	41%	0.408	28%	0.279	S	S	.	.	H	α-helix	trans	-68.1	-41.1	174.6	-72.2	176.3	54.8	-153.2	-15.5	112.1	S255 L256 L261 V262 D263	S255-R259 WeakPolarHBondContact O-CG 3.28Å; S255-R259 PolarHBondContact O-N 3.3Å; L256-R259 WeakPolarHBondContact O-CB 3.41Å; L256-R259 PolarHBondContact O-N 3.11Å; R259-L261 VanDerWaalsContact C-N 3.28Å; R259-L261 PolarHBondContact O-N 2.8Å; R259-V262 CarbonylContact O-C 3.59Å; R259-V262 PolarHBondContact O-N 3.42Å; R259-V262 VanDerWaalsContact O-N 3.1Å; R259-D263 WeakPolarHBondContact O-CB 3.48Å; R259-D263 PolarHBondContact O-N 3.14Å
260	D	96.2	Very high	93.5	Very high	103 Å²	103	67 Å²	67	55%	0.551	31%	0.307	S	S	*	.	H	α-helix	trans	-58.6	-41.3	176.4	-65.1	-24.7	0	0	0	111.1	L256 D263 D264	L256-D260 PolarHBondContact O-N 2.88Å; D260-D263 PolarHBondContact O-N 2.89Å; D260-D264 WeakPolarHBondContact O-CB 3.45Å; D260-D264 PolarHBondContact O-N 3.38Å
261	L	95.8	Very high	93	Very high	15 Å²	15	63.9 Å²	63.9	8%	0.079	30%	0.295	C	S	.	.	H	α-helix	trans	-64.6	-37.8	174.5	-71	168	0	0	0	113.3	L229 R230 L234 E257 R259 A265	L229-L261 HydrophobicContact CB-CD1 4.26Å; L229-L261 HydrophobicContact CD2-CB 4.39Å; L229-L261 HydrophobicContact CD2-CD1 4.1Å; L229-L261 HydrophobicContact CG-CD1 4.21Å; R230-L261 HydrophobicContact CB-CD1 4.04Å; R230-L261 HydrophobicContact CB-CD2 4.37Å; R230-L261 HydrophobicContact CG-CD2 4.3Å; L234-L261 HydrophobicContact CD1-CB 4.16Å; E257-L261 WeakPolarHBondContact O-CG 3.46Å; E257-L261 PolarHBondContact O-N 3.35Å; R259-L261 VanDerWaalsContact C-N 3.28Å; R259-L261 PolarHBondContact O-N 2.8Å; L261-A265 PolarHBondContact O-N 2.82Å; L261-A265 VanDerWaalsContact O-N 3.15Å
262	V	96.1	Very high	92.1	Very high	0 Å²	0	66.9 Å²	66.9	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-73.1	-38	177.2	169.3	0	0	0	0	111.5	L234 V246 D247 I252 C258 R259 A265 K266	L234-V262 HydrophobicContact CD1-CG2 4.03Å; V246-V262 HydrophobicContact CG1-CG2 3.65Å; D247-V262 HydrophobicContact CB-CG1 4.35Å; I252-V262 HydrophobicContact CG2-CG2 4.03Å; C258-V262 WeakPolarHBondContact O-CG2 3.42Å; C258-V262 PolarHBondContact O-N 3.43Å; R259-V262 CarbonylContact O-C 3.59Å; R259-V262 PolarHBondContact O-N 3.42Å; R259-V262 VanDerWaalsContact O-N 3.1Å; V262-A265 WeakPolarHBondContact O-CB 3.36Å; V262-A265 PolarHBondContact O-N 3.12Å; V262-K266 HydrophobicContact CG1-CD 4.4Å; V262-K266 WeakPolarHBondContact O-CG 3.41Å; V262-K266 PolarHBondContact O-N 3.48Å
263	D	93.8	Very high	91.2	Very high	67 Å²	67	71 Å²	71	36%	0.358	34%	0.337	S	S	.	.	H	α-helix	trans	-73.1	-31	177.6	-71.2	-21.3	0	0	0	111.7	R259 D260 K266 R267	R259-D263 WeakPolarHBondContact O-CB 3.48Å; R259-D263 PolarHBondContact O-N 3.14Å; D260-D263 PolarHBondContact O-N 2.89Å; D263-K266 WeakPolarHBondContact OD1-CD 3.36Å; D263-K266 IonicContact OD1-NZ 2.67Å; D263-K266 PolarHBondContact OD1-NZ 3.1Å; D263-R267 WeakPolarHBondContact O-CB 3.43Å; D263-R267 PolarHBondContact O-N 2.85Å
264	D	92.9	Very high	90.7	Very high	47 Å²	47	65.5 Å²	65.5	25%	0.251	32%	0.319	S	S	.	.	H	α-helix	trans	-60.6	-44.5	165.1	-110.5	4.7	0	0	0	111.9	D260 R267 F268 R282 F283	D260-D264 WeakPolarHBondContact O-CB 3.45Å; D260-D264 PolarHBondContact O-N 3.38Å; D264-R267 WeakPolarHBondContact O-CB 3.41Å; D264-R267 PolarHBondContact O-N 3.21Å; D264-F268 PolarHBondContact O-N 2.95Å; D264-F268 VanDerWaalsContact O-N 3.12Å; D264-R282 IonicContact OD2-CZ 2.61Å; D264-R282 IonicContact OD2-NE 3.34Å; D264-R282 PolarHBondContact OD2-NE 2.79Å; D264-R282 IonicContact OD2-NH2 2.71Å; D264-R282 PolarHBondContact OD2-NH2 3.05Å; D264-F283 HydrophobicContact CB-CE1 4.45Å; D264-F283 HydrophobicContact CB-CZ 4.38Å
265	A	92.8	Very high	90.2	Very high	2 Å²	2	60.6 Å²	60.6	2%	0.017	30%	0.295	C	S	.	.	H	α-helix	trans	-63.4	-49.7	176.5	0	0	0	0	0	111.1	L234 L242 L261 V262 R267 F268 H269	L234-A265 HydrophobicContact CB-CB 3.63Å; L242-A265 HydrophobicContact CD1-CB 4.19Å; L242-A265 HydrophobicContact CD2-CB 4.45Å; L261-A265 PolarHBondContact O-N 2.82Å; L261-A265 VanDerWaalsContact O-N 3.15Å; V262-A265 WeakPolarHBondContact O-CB 3.36Å; V262-A265 PolarHBondContact O-N 3.12Å; A265-R267 PolarHBondContact O-N 3.46Å; A265-F268 WeakPolarHBondContact O-CB 3.19Å; A265-F268 PolarHBondContact O-N 2.89Å; A265-H269 PolarHBondContact O-CD2 3.27Å; A265-H269 PolarHBondContact O-N 3.3Å
266	K	91.1	Very high	89.3	Confident	39 Å²	39	63.5 Å²	63.5	17%	0.17	31%	0.305	C	S	.	.	H	α-helix	trans	-52.9	-41.4	172.7	-69.6	169.1	-169.1	158	0	111.4	D247 V262 D263 F268 H269 L270	D247-K266 IonicContact OD1-NZ 2.71Å; D247-K266 PolarHBondContact OD1-NZ 2.84Å; D247-K266 IonicContact OD2-NZ 2.97Å; D247-K266 PolarHBondContact OD2-NZ 3.36Å; D247-K266 VanDerWaalsContact OD2-NZ 3.11Å; V262-K266 HydrophobicContact CG1-CD 4.4Å; V262-K266 WeakPolarHBondContact O-CG 3.41Å; V262-K266 PolarHBondContact O-N 3.48Å; D263-K266 WeakPolarHBondContact OD1-CD 3.36Å; D263-K266 IonicContact OD1-NZ 2.67Å; D263-K266 PolarHBondContact OD1-NZ 3.1Å; K266-F268 VanDerWaalsContact C-N 3.35Å; K266-F268 PolarHBondContact O-N 3.45Å; K266-H269 PolarHBondContact O-N 3.09Å; K266-L270 HydrophobicContact CB-CD1 4.39Å; K266-L270 WeakPolarHBondContact O-CB 3.31Å; K266-L270 VanDerWaalsContact O-CG 3.24Å; K266-L270 WeakPolarHBondContact O-CG 3.39Å; K266-L270 PolarHBondContact O-N 2.93Å
267	R	89.9	Confident	88.8	Confident	116 Å²	116	63.1 Å²	63.1	44%	0.438	30%	0.3	S	S	.	.	H	α-helix	trans	-61.5	-38.1	177.1	-171.6	-172.4	165.1	-177.8	-6.6	112.6	D263 D264 A265 L270 R271 M278	D263-R267 WeakPolarHBondContact O-CB 3.43Å; D263-R267 PolarHBondContact O-N 2.85Å; D264-R267 WeakPolarHBondContact O-CB 3.41Å; D264-R267 PolarHBondContact O-N 3.21Å; A265-R267 PolarHBondContact O-N 3.46Å; R267-L270 PolarHBondContact O-N 3.17Å; R267-R271 WeakPolarHBondContact O-CB 3.2Å; R267-R271 PolarHBondContact O-N 3.37Å; R267-M278 HydrophobicContact CB-CE 4.5Å; R267-M278 HydrophobicContact CG-CE 3.83Å
268	F	88.7	Confident	88.2	Confident	17 Å²	17	58.8 Å²	58.8	8%	0.075	28%	0.28	C	S	.	.	H	α-helix	trans	-64.7	-35.4	175.1	177.7	-85.7	0	0	0	113	S235 D264 A265 K266 R275 M278 F283	S235-F268 WeakPolarHBondContact O-CD1 3.45Å; S235-F268 VanDerWaalsContact O-CE1 3.31Å; S235-F268 WeakPolarHBondContact O-CE1 3.38Å; D264-F268 PolarHBondContact O-N 2.95Å; D264-F268 VanDerWaalsContact O-N 3.12Å; A265-F268 WeakPolarHBondContact O-CB 3.19Å; A265-F268 PolarHBondContact O-N 2.89Å; K266-F268 VanDerWaalsContact C-N 3.35Å; K266-F268 PolarHBondContact O-N 3.45Å; F268-R275 HydrophobicContact CD2-CB 4.5Å; F268-R275 HydrophobicContact CD2-CG 3.85Å; F268-R275 HydrophobicContact CE2-CB 4.14Å; F268-R275 HydrophobicContact CE2-CG 3.73Å; F268-R275 HydrophobicContact CG-CG 4.36Å; F268-R275 HydrophobicContact CZ-CG 4.16Å; F268-R275 PolarHBondContact O-NE 3.22Å; F268-R275 PolarHBondContact O-NH2 2.67Å; F268-R275 VanDerWaalsContact O-NH2 3.14Å; F268-M278 HydrophobicContact CB-SD 3.76Å; F268-M278 HydrophobicContact CD2-CB 4.33Å; F268-M278 HydrophobicContact CD2-SD 3.74Å; F268-M278 HydrophobicContact CG-SD 4.22Å; F268-F283 HydrophobicContact CB-CD1 4.14Å; F268-F283 HydrophobicContact CB-CE1 4.38Å; F268-F283 HydrophobicContact CD2-CB 4.06Å; F268-F283 AromaticContact CD2-CD1 3.82Å; F268-F283 HydrophobicContact CD2-CD1 3.82Å; F268-F283 HydrophobicContact CD2-CG 4.26Å; F268-F283 HydrophobicContact CE2-CB 4Å; F268-F283 HydrophobicContact CG-CD1 4.22Å
269	H	83.5	Confident	87.2	Confident	38 Å²	38	65.6 Å²	65.6	18%	0.176	31%	0.306	C	S	.	.	H	α-helix	trans	-75	-41.4	172.8	-60.5	-84.5	0	0	0	112.1	S235 M237 V239 L242 A265 K266	S235-H269 WeakPolarHBondContact CA-NE2 3.48Å; S235-H269 PolarHBondContact O-CE1 3.43Å; S235-H269 PolarHBondContact O-NE2 3.05Å; M237-H269 PolarHBondContact O-CE1 3.01Å; V239-H269 HydrophobicContact CG2-CB 3.65Å; V239-H269 VanDerWaalsContact CG2-CG 3.42Å; V239-H269 VanDerWaalsContact CG2-ND1 3.33Å; V239-H269 WeakPolarHBondContact CG2-ND1 3.48Å; L242-H269 VanDerWaalsContact CD1-NE2 3.3Å; L242-H269 WeakPolarHBondContact CD1-NE2 3.48Å; A265-H269 PolarHBondContact O-CD2 3.27Å; A265-H269 PolarHBondContact O-N 3.3Å; K266-H269 PolarHBondContact O-N 3.09Å
270	L	86.1	Confident	86.7	Confident	136 Å²	136	64.9 Å²	64.9	71%	0.712	31%	0.31	S	S	*	.	H	α-helix	trans	-77.1	-18.6	-177.1	-69	169.9	0	0	0	114.9	K266 R267	K266-L270 HydrophobicContact CB-CD1 4.39Å; K266-L270 WeakPolarHBondContact O-CB 3.31Å; K266-L270 VanDerWaalsContact O-CG 3.24Å; K266-L270 WeakPolarHBondContact O-CG 3.39Å; K266-L270 PolarHBondContact O-N 2.93Å; R267-L270 PolarHBondContact O-N 3.17Å
271	R	85.5	Confident	86	Confident	108 Å²	108	68 Å²	68	41%	0.408	31%	0.314	S	S	.	.			trans	-128.2	71.1	178.9	-65.5	-63.6	-62	-87.2	0.4	112.4	R267 D273 L274	R267-R271 WeakPolarHBondContact O-CB 3.2Å; R267-R271 PolarHBondContact O-N 3.37Å; R271-D273 WeakPolarHBondContact CA-OD1 3.47Å; R271-D273 WeakPolarHBondContact CB-OD1 3.43Å; R271-D273 IonicContact CZ-OD1 3.25Å; R271-D273 IonicContact CZ-OD2 2.86Å; R271-D273 IonicContact NE-OD1 3.26Å; R271-D273 PolarHBondContact NE-OD1 3.06Å; R271-D273 IonicContact NE-OD2 2.91Å; R271-D273 PolarHBondContact NE-OD2 3.13Å; R271-D273 IonicContact NH2-OD1 3.99Å; R271-D273 IonicContact NH2-OD2 3.4Å; R271-D273 PolarHBondContact NH2-OD2 2.97Å; R271-D273 PolarHBondContact O-N 3.19Å; R271-D273 VanDerWaalsContact O-N 3.17Å; R271-L274 HydrophobicContact CB-CB 4.22Å; R271-L274 HydrophobicContact CB-CD1 4.34Å; R271-L274 HydrophobicContact CB-CG 4.23Å; R271-L274 PolarHBondContact O-N 3.35Å
272	P	75.3	Confident	85.6	Confident	77 Å²	77	70.4 Å²	70.4	50%	0.5	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-53.9	-32.4	173.7	-25.3	35.2	0	0	0	113.3	L274 R275	P272-L274 VanDerWaalsContact C-N 3.28Å; P272-L274 PolarHBondContact O-N 3.14Å; P272-R275 PolarHBondContact O-N 2.69Å
273	D	77.2	Confident	85.1	Confident	87 Å²	87	70.9 Å²	70.9	47%	0.465	32%	0.324	S	S	.	.	G	3₁₀ helix	trans	-63.8	-27	178.4	62.3	-53.3	0	0	0	114	R271 H276	R271-D273 WeakPolarHBondContact CA-OD1 3.47Å; R271-D273 WeakPolarHBondContact CB-OD1 3.43Å; R271-D273 IonicContact CZ-OD1 3.25Å; R271-D273 IonicContact CZ-OD2 2.86Å; R271-D273 IonicContact NE-OD1 3.26Å; R271-D273 PolarHBondContact NE-OD1 3.06Å; R271-D273 IonicContact NE-OD2 2.91Å; R271-D273 PolarHBondContact NE-OD2 3.13Å; R271-D273 IonicContact NH2-OD1 3.99Å; R271-D273 IonicContact NH2-OD2 3.4Å; R271-D273 PolarHBondContact NH2-OD2 2.97Å; R271-D273 PolarHBondContact O-N 3.19Å; R271-D273 VanDerWaalsContact O-N 3.17Å; D273-H276 PolarHBondContact O-CE1 3.15Å; D273-H276 VanDerWaalsContact O-CE1 3.23Å; D273-H276 PolarHBondContact O-ND1 3.11Å
274	L	84.3	Confident	84.4	Confident	26 Å²	26	72.4 Å²	72.4	14%	0.136	33%	0.325	C	S	.	.	G	3₁₀ helix	trans	-100.8	3.2	-179.3	-57.9	-173	0	0	0	114.1	R271 P272 H276 E277 M278	R271-L274 HydrophobicContact CB-CB 4.22Å; R271-L274 HydrophobicContact CB-CD1 4.34Å; R271-L274 HydrophobicContact CB-CG 4.23Å; R271-L274 PolarHBondContact O-N 3.35Å; P272-L274 VanDerWaalsContact C-N 3.28Å; P272-L274 PolarHBondContact O-N 3.14Å; L274-H276 PolarHBondContact O-N 2.71Å; L274-E277 WeakPolarHBondContact O-CB 3.43Å; L274-E277 PolarHBondContact O-N 2.87Å; L274-M278 HydrophobicContact CB-CE 4.22Å
275	R	83.6	Confident	83.5	Confident	30 Å²	30	73.8 Å²	73.8	11%	0.113	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	-57.9	-36.1	-176.7	-71.8	-178.8	178.3	172.9	0.8	113.1	F268 P272 E277 M278 I557	F268-R275 HydrophobicContact CD2-CB 4.5Å; F268-R275 HydrophobicContact CD2-CG 3.85Å; F268-R275 HydrophobicContact CE2-CB 4.14Å; F268-R275 HydrophobicContact CE2-CG 3.73Å; F268-R275 HydrophobicContact CG-CG 4.36Å; F268-R275 HydrophobicContact CZ-CG 4.16Å; F268-R275 PolarHBondContact O-NE 3.22Å; F268-R275 PolarHBondContact O-NH2 2.67Å; F268-R275 VanDerWaalsContact O-NH2 3.14Å; P272-R275 PolarHBondContact O-N 2.69Å; R275-E277 PolarHBondContact O-N 2.95Å; R275-E277 VanDerWaalsContact O-N 3.15Å; R275-M278 WeakPolarHBondContact O-CB 3.49Å; R275-M278 PolarHBondContact O-N 3.05Å; R275-I557 HydrophobicContact CB-CG2 4.47Å; R275-I557 VanDerWaalsContact O-CG2 3.3Å; R275-I557 WeakPolarHBondContact O-CG2 3.2Å
276	H	76.6	Confident	82.8	Confident	86 Å²	86	74.1 Å²	74.1	40%	0.398	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	-60	-22	176.1	72.8	-82.5	0	0	0	114.1	D273 L274 R279 I557	D273-H276 PolarHBondContact O-CE1 3.15Å; D273-H276 VanDerWaalsContact O-CE1 3.23Å; D273-H276 PolarHBondContact O-ND1 3.11Å; L274-H276 PolarHBondContact O-N 2.71Å; H276-R279 WeakPolarHBondContact O-CG 3.5Å; H276-R279 PolarHBondContact O-NE 2.87Å; H276-I557 VanDerWaalsContact CA-O 3.28Å; H276-I557 WeakPolarHBondContact CA-O 3.31Å; H276-I557 WeakPolarHBondContact CB-O 3.41Å; H276-I557 PolarHBondContact N-O 2.97Å; H276-I557 VanDerWaalsContact N-O 3.15Å
277	E	84.5	Confident	81.6	Confident	117 Å²	117	76.4 Å²	76.4	55%	0.547	35%	0.345	S	S	.	.	G	3₁₀ helix	trans	-80.4	-27.9	172.6	-52.9	-175.4	151.8	0	0	112	L274 R275 R279	L274-E277 WeakPolarHBondContact O-CB 3.43Å; L274-E277 PolarHBondContact O-N 2.87Å; R275-E277 PolarHBondContact O-N 2.95Å; R275-E277 VanDerWaalsContact O-N 3.15Å; E277-R279 VanDerWaalsContact C-N 3.28Å; E277-R279 PolarHBondContact O-N 3.23Å
278	M	84.7	Confident	80.1	Confident	16 Å²	16	71.6 Å²	71.6	8%	0.079	33%	0.331	C	S	.	.			trans	-84.6	61.8	-171.4	-59.7	-177.2	-173.9	0	0	111.7	R267 F268 L274 R275 D280 F283	R267-M278 HydrophobicContact CB-CE 4.5Å; R267-M278 HydrophobicContact CG-CE 3.83Å; F268-M278 HydrophobicContact CB-SD 3.76Å; F268-M278 HydrophobicContact CD2-CB 4.33Å; F268-M278 HydrophobicContact CD2-SD 3.74Å; F268-M278 HydrophobicContact CG-SD 4.22Å; L274-M278 HydrophobicContact CB-CE 4.22Å; R275-M278 WeakPolarHBondContact O-CB 3.49Å; R275-M278 PolarHBondContact O-N 3.05Å; M278-D280 PolarHBondContact O-N 3.15Å; M278-F283 HydrophobicContact CB-CB 4.35Å; M278-F283 HydrophobicContact CB-CD1 4.25Å; M278-F283 HydrophobicContact CB-CD2 3.77Å; M278-F283 HydrophobicContact CB-CE2 4.04Å; M278-F283 HydrophobicContact CB-CG 3.88Å; M278-F283 HydrophobicContact CB-CZ 4.4Å; M278-F283 WeakPolarHBondContact O-CB 3.34Å; M278-F283 WeakPolarHBondContact O-CD2 3.47Å; M278-F283 HydrophobicContact SD-CD1 4.44Å; M278-F283 HydrophobicContact SD-CE1 4.28Å
279	R	76.9	Confident	78.7	Confident	143 Å²	143	71.1 Å²	71.1	54%	0.54	33%	0.331	S	S	.	.			trans	-81.9	-9.5	-166.9	-70.9	-177.7	161.7	170.2	0.1	116.3	H276 E277 R284 E558	H276-R279 WeakPolarHBondContact O-CG 3.5Å; H276-R279 PolarHBondContact O-NE 2.87Å; E277-R279 VanDerWaalsContact C-N 3.28Å; E277-R279 PolarHBondContact O-N 3.23Å; R279-R284 PolarHBondContact O-NE 3.15Å; R279-E558 IonicContact CZ-OE1 3.25Å; R279-E558 VanDerWaalsContact CZ-OE1 3.25Å; R279-E558 IonicContact CZ-OE2 3.82Å; R279-E558 IonicContact NE-OE1 2.96Å; R279-E558 PolarHBondContact NE-OE1 2.81Å; R279-E558 IonicContact NH2-OE1 2.7Å; R279-E558 PolarHBondContact NH2-OE1 3.17Å; R279-E558 IonicContact NH2-OE2 3.53Å; R279-E558 PolarHBondContact NH2-OE2 2.86Å
280	D	84.2	Confident	78.3	Confident	92 Å²	92	71.2 Å²	71.2	49%	0.492	33%	0.333	S	S	.	.	S	Bend	trans	-60	151.9	179.1	-74.5	-25.8	0	0	0	113.1	M278 R282 F283	M278-D280 PolarHBondContact O-N 3.15Å; D280-R282 HydrophobicContact CB-CG 4.41Å; D280-R282 PolarHBondContact O-N 3.18Å; D280-R282 VanDerWaalsContact O-N 3.11Å; D280-R282 IonicContact OD2-CZ 2.75Å; D280-R282 IonicContact OD2-NH1 2.63Å; D280-R282 PolarHBondContact OD2-NH1 3.17Å; D280-R282 IonicContact OD2-NH2 2.75Å; D280-F283 HydrophobicContact CB-CD2 3.86Å; D280-F283 HydrophobicContact CB-CE2 4.04Å; D280-F283 PolarHBondContact O-N 2.93Å
281	R	81.9	Confident	78.3	Confident	169 Å²	169	65.1 Å²	65.1	64%	0.638	30%	0.301	S	S	*	.	G	3₁₀ helix	trans	-54.7	-32	-179.8	-67.2	-174.3	180	-153.6	8.6	114.1	E196 F283 R284	E196-R281 WeakPolarHBondContact OE1-CD 3.28Å; E196-R281 IonicContact OE1-CZ 2.74Å; E196-R281 IonicContact OE1-NE 2.77Å; E196-R281 IonicContact OE1-NH1 3.27Å; E196-R281 PolarHBondContact OE1-NH1 3.43Å; R281-F283 PolarHBondContact O-N 2.61Å; R281-F283 VanDerWaalsContact O-N 3.1Å; R281-R284 PolarHBondContact O-N 2.73Å; R281-R284 VanDerWaalsContact O-N 3.08Å
282	R	87.2	Confident	78.6	Confident	65 Å²	65	61.7 Å²	61.7	25%	0.245	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-62.1	-16.4	178.8	75.1	176.5	174.5	-70.6	-0.9	114.1	R233 D264 D280	R233-R282 WeakPolarHBondContact CA-O 3.44Å; D264-R282 IonicContact OD2-CZ 2.61Å; D264-R282 IonicContact OD2-NE 3.34Å; D264-R282 PolarHBondContact OD2-NE 2.79Å; D264-R282 IonicContact OD2-NH2 2.71Å; D264-R282 PolarHBondContact OD2-NH2 3.05Å; D280-R282 HydrophobicContact CB-CG 4.41Å; D280-R282 PolarHBondContact O-N 3.18Å; D280-R282 VanDerWaalsContact O-N 3.11Å; D280-R282 IonicContact OD2-CZ 2.75Å; D280-R282 IonicContact OD2-NH1 2.63Å; D280-R282 PolarHBondContact OD2-NH1 3.17Å; D280-R282 IonicContact OD2-NH2 2.75Å
283	F	85.7	Confident	79.6	Confident	10 Å²	10	58 Å²	58	4%	0.044	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-100.2	8.8	178.5	-55.5	-70.7	0	0	0	113.8	S235 D264 F268 M278 D280 R281	S235-F283 WeakPolarHBondContact OG-CA 3.41Å; D264-F283 HydrophobicContact CB-CE1 4.45Å; D264-F283 HydrophobicContact CB-CZ 4.38Å; F268-F283 HydrophobicContact CB-CD1 4.14Å; F268-F283 HydrophobicContact CB-CE1 4.38Å; F268-F283 HydrophobicContact CD2-CB 4.06Å; F268-F283 AromaticContact CD2-CD1 3.82Å; F268-F283 HydrophobicContact CD2-CD1 3.82Å; F268-F283 HydrophobicContact CD2-CG 4.26Å; F268-F283 HydrophobicContact CE2-CB 4Å; F268-F283 HydrophobicContact CG-CD1 4.22Å; M278-F283 HydrophobicContact CB-CB 4.35Å; M278-F283 HydrophobicContact CB-CD1 4.25Å; M278-F283 HydrophobicContact CB-CD2 3.77Å; M278-F283 HydrophobicContact CB-CE2 4.04Å; M278-F283 HydrophobicContact CB-CG 3.88Å; M278-F283 HydrophobicContact CB-CZ 4.4Å; M278-F283 WeakPolarHBondContact O-CB 3.34Å; M278-F283 WeakPolarHBondContact O-CD2 3.47Å; M278-F283 HydrophobicContact SD-CD1 4.44Å; M278-F283 HydrophobicContact SD-CE1 4.28Å; D280-F283 HydrophobicContact CB-CD2 3.86Å; D280-F283 HydrophobicContact CB-CE2 4.04Å; D280-F283 PolarHBondContact O-N 2.93Å; R281-F283 PolarHBondContact O-N 2.61Å; R281-F283 VanDerWaalsContact O-N 3.1Å
284	R	79	Confident	80.6	Confident	100 Å²	100	53.9 Å²	53.9	38%	0.377	24%	0.242	S	C	.	.	S	Bend	trans	-124.1	138.8	-175.5	-58.4	-178.2	180	-129	-11.9	110.7	R233 R279 R281 I557	R233-R284 WeakPolarHBondContact CD-O 3.38Å; R233-R284 WeakPolarHBondContact CG-O 3.34Å; R233-R284 PolarHBondContact NH1-O 2.71Å; R279-R284 PolarHBondContact O-NE 3.15Å; R281-R284 PolarHBondContact O-N 2.73Å; R281-R284 VanDerWaalsContact O-N 3.08Å; R284-I557 HydrophobicContact CG-CD1 3.86Å
285	Q	75.3	Confident	81.2	Confident	76 Å²	76	52.6 Å²	52.6	36%	0.355	24%	0.235	S	C	.	.			trans	-60.1	157.1	171.5	-165.9	163.9	2.5	0	0	110.7	R233 V236	R233-Q285 PolarHBondContact NH1-O 3Å; R233-Q285 VanDerWaalsContact NH1-O 3.13Å; V236-Q285 HydrophobicContact CG1-CB 3.9Å; V236-Q285 HydrophobicContact CG1-CG 3.97Å
286	R	78.1	Confident	81.8	Confident	8 Å²	8	51.2 Å²	51.2	3%	0.03	23%	0.23	C	C	.	.			trans	-67.3	157.7	172.1	-69.4	-178.2	-163.5	-95	-5.1	110	I193 R195 E203 N231 R233 G288	I193-R286 PolarHBondContact O-NH1 3.37Å; I193-R286 PolarHBondContact O-NH2 3.46Å; R195-R286 PolarHBondContact O-NH1 3.18Å; E203-R286 IonicContact OE1-CZ 2.78Å; E203-R286 IonicContact OE1-NE 2.69Å; E203-R286 IonicContact OE1-NH2 2.93Å; E203-R286 PolarHBondContact OE1-NH2 2.78Å; E203-R286 IonicContact OE2-CZ 3.92Å; E203-R286 IonicContact OE2-NE 2.9Å; E203-R286 PolarHBondContact OE2-NE 2.7Å; E203-R286 IonicContact OE2-NH2 2.75Å; N231-R286 PolarHBondContact O-NH2 3.39Å; R233-R286 VanDerWaalsContact CZ-CG 3.41Å; R233-R286 VanDerWaalsContact NE-CG 3.34Å; R286-G288 PolarHBondContact O-N 3.33Å
287	D	65.3	Low	82.8	Confident	88 Å²	88	47.1 Å²	47.1	47%	0.471	21%	0.211	S	C	.	.			trans	-72.1	14.3	179	-73.9	-10.4	0	0	0	112.9	E196 G289	E196-D287 PolarHBondContact O-N 3.22Å; D287-G289 PolarHBondContact O-N 3.34Å
288	G	57.6	Low	83.3	Confident	14 Å²	14	41.5 Å²	41.5	14%	0.144	19%	0.185	C	C	.	.			trans	68.3	-17.1	171	0	0	0	0	0	116.9	H199 R286	H199-G288 PolarHBondContact ND1-O 3.1Å; R286-G288 PolarHBondContact O-N 3.33Å
289	G	61.3	Low	83.9	Confident	7 Å²	7	42.2 Å²	42.2	7%	0.072	19%	0.187	C	C	.	.	S	Bend	trans	78.4	-137.1	-166.6	0	0	0	0	0	110.4	D287 E291 R315	D287-G289 PolarHBondContact O-N 3.34Å; G289-E291 PolarHBondContact O-N 3.44Å; G289-R315 PolarHBondContact O-NH2 3.26Å
290	N	75.1	Confident	84.7	Confident	41 Å²	41	35.7 Å²	35.7	22%	0.219	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	64.4	179.5	-83.9	3.9	0	0	0	112.3	Y292 R315 F583 T585	N290-Y292 HydrophobicContact CB-CE2 3.87Å; N290-R315 PolarHBondContact OD1-NH2 2.85Å; N290-F583 HydrophobicContact CB-CB 3.88Å; N290-F583 PolarHBondContact O-N 2.68Å; N290-T585 HydrophobicContact CB-CG2 3.89Å; N290-T585 VanDerWaalsContact CG-CG2 3.41Å; N290-T585 VanDerWaalsContact ND2-CG2 3.32Å; N290-T585 WeakPolarHBondContact ND2-CG2 3.09Å
291	E	85.4	Confident	85	Confident	8 Å²	8	35.3 Å²	35.3	4%	0.037	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	137.4	162.9	-51.1	-162.5	120.3	0	0	111	G289 P314 L532 A533 V580 V581 R582	G289-E291 PolarHBondContact O-N 3.44Å; E291-P314 WeakPolarHBondContact O-CD 3.36Å; E291-L532 HydrophobicContact CB-CD1 3.4Å; E291-L532 HydrophobicContact CG-CD1 4.45Å; E291-A533 PolarHBondContact OE2-N 3.21Å; E291-V580 HydrophobicContact CB-CG1 4.19Å; E291-V581 WeakPolarHBondContact CA-O 3.5Å; E291-R582 HydrophobicContact CG-CG 4.25Å; E291-R582 IonicContact OE1-CZ 3.75Å; E291-R582 VanDerWaalsContact OE1-CZ 3.23Å; E291-R582 IonicContact OE1-NE 3.35Å; E291-R582 PolarHBondContact OE1-NE 2.92Å; E291-R582 IonicContact OE1-NH2 3.53Å; E291-R582 PolarHBondContact OE1-NH2 2.89Å
292	Y	92	Very high	85.4	Confident	35 Å²	35	32.2 Å²	32.2	14%	0.137	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	146.1	174	-62.6	-97	0	0	0	110.5	N290 M311 N313 V580 V581 F583	N290-Y292 HydrophobicContact CB-CE2 3.87Å; Y292-M311 HydrophobicContact CD1-CE 4.19Å; Y292-M311 HydrophobicContact CD1-CG 4.11Å; Y292-M311 HydrophobicContact CD1-SD 4.13Å; Y292-M311 HydrophobicContact CD2-SD 4.49Å; Y292-M311 HydrophobicContact CE1-CE 4.46Å; Y292-M311 HydrophobicContact CG-CG 4.12Å; Y292-M311 HydrophobicContact CG-SD 3.93Å; Y292-N313 HydrophobicContact CD1-CB 3.91Å; Y292-N313 HydrophobicContact CE1-CB 3.74Å; Y292-V580 CarbonylContact O-C 3.5Å; Y292-V580 VanDerWaalsContact O-CA 3.29Å; Y292-V580 WeakPolarHBondContact O-CA 3.25Å; Y292-V581 PolarHBondContact N-O 3.34Å; Y292-V581 PolarHBondContact O-N 3.11Å; Y292-F583 AromaticContact CD2-CD2 3.53Å; Y292-F583 HydrophobicContact CD2-CD2 3.53Å; Y292-F583 AromaticContact CD2-CE2 3.5Å; Y292-F583 HydrophobicContact CD2-CE2 3.5Å; Y292-F583 VanDerWaalsContact CD2-CE2 3.5Å; Y292-F583 AromaticContact CE2-CD2 3.6Å; Y292-F583 HydrophobicContact CE2-CD2 3.6Å; Y292-F583 AromaticContact CE2-CE2 3.79Å; Y292-F583 HydrophobicContact CE2-CE2 3.79Å; Y292-F583 HydrophobicContact CG-CE2 4.36Å
293	L	95.9	Very high	85.5	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	139.4	169.3	-170.4	69.2	0	0	0	109.3	M311 F312 W319 C530 L532 A539 M578 V580	L293-M311 CarbonylContact O-C 3.51Å; L293-M311 VanDerWaalsContact O-CA 3.28Å; L293-M311 WeakPolarHBondContact O-CA 3.3Å; L293-F312 HydrophobicContact CB-CB 4.19Å; L293-F312 HydrophobicContact CB-CD1 4Å; L293-F312 HydrophobicContact CD2-CD1 4.43Å; L293-F312 PolarHBondContact N-O 3.01Å; L293-F312 VanDerWaalsContact N-O 3.09Å; L293-F312 PolarHBondContact O-N 3.42Å; L293-W319 HydrophobicContact CD2-CH2 4.43Å; L293-C530 HydrophobicContact CD1-CB 3.84Å; L293-L532 HydrophobicContact CB-CD2 4.06Å; L293-A539 HydrophobicContact CD2-CB 4.24Å; L293-M578 HydrophobicContact CD1-CE 3.9Å; L293-M578 HydrophobicContact CD1-CG 3.79Å; L293-M578 HydrophobicContact CD1-SD 3.95Å; L293-M578 HydrophobicContact CD2-CE 4.46Å; L293-M578 HydrophobicContact CD2-SD 3.93Å; L293-M578 HydrophobicContact CG-CG 4.16Å; L293-M578 HydrophobicContact CG-SD 4.18Å; L293-V580 HydrophobicContact CD1-CG2 3.73Å
294	V	97.4	Very high	85.7	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	129.2	174.3	-176.1	0	0	0	0	109.6	I296 V309 E310 M311 L322 V341 I361 M578 C579 V581	V294-I296 HydrophobicContact CG1-CD1 4.26Å; V294-I296 HydrophobicContact CG1-CG1 3.87Å; V294-V309 HydrophobicContact CG1-CG1 3.8Å; V294-E310 CarbonylContact C-O 3.43Å; V294-E310 WeakPolarHBondContact CA-O 3.28Å; V294-M311 HydrophobicContact CG2-CB 4.33Å; V294-M311 HydrophobicContact CG2-CG 4.04Å; V294-L322 HydrophobicContact CG1-CD1 4.09Å; V294-L322 HydrophobicContact CG2-CD1 4.47Å; V294-V341 HydrophobicContact CG2-CG2 4.49Å; V294-I361 HydrophobicContact CG2-CD1 3.86Å; V294-M578 WeakPolarHBondContact O-CA 3.38Å; V294-C579 PolarHBondContact N-O 3.34Å; V294-C579 PolarHBondContact O-N 3.07Å; V294-C579 VanDerWaalsContact O-N 3.09Å; V294-V581 HydrophobicContact CB-CG2 4.48Å; V294-V581 HydrophobicContact CG2-CB 4.32Å; V294-V581 HydrophobicContact CG2-CG2 3.61Å
295	V	97.5	Very high	86.5	Confident	0 Å²	0	35 Å²	35	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	129	178.7	-174.9	0	0	0	0	109.2	V309 E310 W319 A539 A540 M569 R573 T576 M578	V295-V309 WeakPolarHBondContact O-CA 3.21Å; V295-E310 PolarHBondContact N-O 3.14Å; V295-E310 PolarHBondContact O-N 2.9Å; V295-W319 HydrophobicContact CB-CZ3 4.3Å; V295-W319 HydrophobicContact CG2-CH2 3.78Å; V295-W319 HydrophobicContact CG2-CZ3 3.75Å; V295-A539 HydrophobicContact CG2-CB 4.01Å; V295-A540 HydrophobicContact CG1-CB 4.5Å; V295-M569 HydrophobicContact CB-SD 4.22Å; V295-M569 HydrophobicContact CG1-SD 3.93Å; V295-M569 HydrophobicContact CG2-SD 4.14Å; V295-R573 PolarHBondContact O-NH2 3.25Å; V295-T576 HydrophobicContact CG1-CG2 3.72Å; V295-M578 HydrophobicContact CG2-CG 4.07Å; V295-M578 HydrophobicContact CG2-SD 4.13Å
296	I	97.2	Very high	87.5	Confident	0 Å²	0	32 Å²	32	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	126.2	-159.7	-51.7	179.1	0	0	0	110.7	V294 G298 V309 L325 A334 V341 V343 T576 G577	V294-I296 HydrophobicContact CG1-CD1 4.26Å; V294-I296 HydrophobicContact CG1-CG1 3.87Å; I296-G298 PolarHBondContact O-N 2.92Å; I296-V309 HydrophobicContact CG1-CG1 4.16Å; I296-V309 HydrophobicContact CG2-CG2 4.14Å; I296-L325 HydrophobicContact CG2-CD1 3.87Å; I296-L325 HydrophobicContact CG2-CD2 4.31Å; I296-L325 HydrophobicContact CG2-CG 4.45Å; I296-A334 HydrophobicContact CD1-CB 3.72Å; I296-V341 HydrophobicContact CD1-CG1 3.37Å; I296-V343 HydrophobicContact CD1-CG2 3.82Å; I296-V343 HydrophobicContact CG2-CG1 4.18Å; I296-V343 HydrophobicContact CG2-CG2 3.76Å; I296-T576 WeakPolarHBondContact O-CA 3.44Å; I296-G577 WeakPolarHBondContact CB-O 3.47Å; I296-G577 PolarHBondContact N-O 2.78Å; I296-G577 PolarHBondContact O-N 3.27Å
297	G	96.3	Very high	88.3	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.194	C	C	.	.			trans	54.5	-127.5	174.6	0	0	0	0	0	112.7	S306 S308 Y329 R573	G297-S306 WeakPolarHBondContact CA-O 3.31Å; G297-S308 PolarHBondContact N-O 2.7Å; G297-Y329 CarbonylContact C-O 3.53Å; G297-R573 WeakPolarHBondContact O-CD 3.41Å; G297-R573 PolarHBondContact O-NH1 3.32Å
298	G	96.3	Very high	89.8	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.173	C	C	.	.			trans	98.8	-162.5	-178.8	0	0	0	0	0	113.1	I296 P305 S306 Y329 R330 C574	I296-G298 PolarHBondContact O-N 2.92Å; G298-P305 CarbonylContact O-C 3.53Å; G298-P305 WeakPolarHBondContact O-CA 3.07Å; G298-S306 PolarHBondContact O-N 2.89Å; G298-Y329 PolarHBondContact N-O 3.41Å; G298-Y329 VanDerWaalsContact O-O 3.12Å; G298-R330 WeakPolarHBondContact O-CB 3.21Å; G298-C574 CarbonylContact C-O 3.59Å; G298-C574 WeakPolarHBondContact CA-O 3.25Å
299	F	96.4	Very high	91.7	Very high	30 Å²	30	30.3 Å²	30.3	13%	0.132	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	125.7	176	-170.6	-118.1	0	0	0	109.9	Q303 D304 R330 R573 C574	F299-Q303 HydrophobicContact CE1-CB 4.48Å; F299-Q303 WeakPolarHBondContact CE2-O 3.25Å; F299-Q303 HydrophobicContact CZ-CB 3.94Å; F299-Q303 WeakPolarHBondContact CZ-O 3.31Å; F299-D304 VanDerWaalsContact CD2-C 3.46Å; F299-D304 WeakPolarHBondContact CD2-O 3.33Å; F299-R330 HydrophobicContact CB-CB 4.11Å; F299-R330 VanDerWaalsContact CD2-CZ 3.4Å; F299-R330 VanDerWaalsContact CZ-NH1 3.31Å; F299-R573 VanDerWaalsContact O-CA 3.23Å; F299-R573 WeakPolarHBondContact O-CA 3.49Å; F299-R573 WeakPolarHBondContact O-CB 3.49Å; F299-C574 PolarHBondContact N-O 3.5Å; F299-C574 PolarHBondContact O-N 3.5Å; F299-C574 VanDerWaalsContact O-N 3.16Å
300	G	93.7	Very high	93.4	Very high	7 Å²	7	30 Å²	30	7%	0.072	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	172.5	-169.1	0	0	0	0	0	115.5	D302 Q303 D304 L547	G300-D302 VanDerWaalsContact CA-OD1 3.25Å; G300-D302 WeakPolarHBondContact CA-OD1 3.33Å; G300-D302 PolarHBondContact O-N 3.39Å; G300-Q303 PolarHBondContact O-N 2.93Å; G300-Q303 PolarHBondContact O-NE2 2.84Å; G300-D304 PolarHBondContact N-O 2.8Å; G300-L547 WeakPolarHBondContact O-CD1 3.25Å
301	S	89.5	Confident	94.4	Very high	83 Å²	83	29.1 Å²	29.1	58%	0.58	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-17.7	174.7	56.3	0	0	0	0	114.2	E572	S301-E572 PolarHBondContact N-O 2.79Å
302	D	90.2	Very high	94.9	Very high	104 Å²	104	28.8 Å²	28.8	56%	0.556	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-19.9	167.6	43.2	21	0	0	0	113.5	G300 D304	G300-D302 VanDerWaalsContact CA-OD1 3.25Å; G300-D302 WeakPolarHBondContact CA-OD1 3.33Å; G300-D302 PolarHBondContact O-N 3.39Å; D302-D304 PolarHBondContact OD1-N 3.03Å; D302-D304 VanDerWaalsContact OD1-N 3.08Å
303	Q	89.8	Confident	94.7	Very high	114 Å²	114	28 Å²	28	53%	0.533	16%	0.155	S	C	.	.	S	Bend	trans	75.5	26.4	-170.2	-51.8	-66.6	-95.4	0	0	114.5	F299 G300	F299-Q303 HydrophobicContact CE1-CB 4.48Å; F299-Q303 WeakPolarHBondContact CE2-O 3.25Å; F299-Q303 HydrophobicContact CZ-CB 3.94Å; F299-Q303 WeakPolarHBondContact CZ-O 3.31Å; G300-Q303 PolarHBondContact O-N 2.93Å; G300-Q303 PolarHBondContact O-NE2 2.84Å
304	D	91	Very high	94.3	Very high	100 Å²	100	29 Å²	29	54%	0.535	16%	0.161	S	C	.	.	S	Bend	trans	-117.4	160.6	172	-78.3	-54.9	0	0	0	111.9	F299 G300 D302	F299-D304 VanDerWaalsContact CD2-C 3.46Å; F299-D304 WeakPolarHBondContact CD2-O 3.33Å; G300-D304 PolarHBondContact N-O 2.8Å; D302-D304 PolarHBondContact OD1-N 3.03Å; D302-D304 VanDerWaalsContact OD1-N 3.08Å
305	P	95.2	Very high	93.5	Very high	20 Å²	20	35 Å²	35	13%	0.13	18%	0.184	C	C	.	.	B	Isolated β-bridge	trans	-61.1	145.6	164.8	-19.2	33.1	0	0	0	111	G298 S328 R330	G298-P305 CarbonylContact O-C 3.53Å; G298-P305 WeakPolarHBondContact O-CA 3.07Å; P305-S328 VanDerWaalsContact O-CB 3.23Å; P305-S328 WeakPolarHBondContact O-CB 3.3Å; P305-R330 HydrophobicContact CB-CB 4.38Å; P305-R330 HydrophobicContact CB-CG 4.49Å; P305-R330 HydrophobicContact CG-CG 4.45Å
306	S	96	Very high	92.9	Very high	14 Å²	14	38.3 Å²	38.3	10%	0.098	20%	0.204	C	C	.	.			trans	-108.4	144.9	-178.7	-168.8	0	0	0	0	112.7	G297 G298 S308 S328 Y329	G297-S306 WeakPolarHBondContact CA-O 3.31Å; G298-S306 PolarHBondContact O-N 2.89Å; S306-S308 WeakPolarHBondContact OG-CB 3.22Å; S306-S308 PolarHBondContact OG-N 3.47Å; S306-S308 PolarHBondContact OG-OG 3.06Å; S306-S328 WeakPolarHBondContact O-CA 3.41Å; S306-Y329 PolarHBondContact O-N 2.83Å
307	D	95.8	Very high	92.5	Very high	66 Å²	66	41.8 Å²	41.8	35%	0.353	22%	0.222	S	C	.	.			trans	-93.4	-16.6	169.6	50.3	-3.6	0	0	0	112.9	D324 L325	D307-D324 HydrophobicContact CB-CB 4.41Å; D307-L325 HydrophobicContact CB-CB 4.13Å; D307-L325 WeakPolarHBondContact O-CB 3.4Å; D307-L325 WeakPolarHBondContact O-CG 3.43Å; D307-L325 PolarHBondContact O-N 2.8Å
308	S	96.1	Very high	92.3	Very high	5 Å²	5	47.1 Å²	47.1	4%	0.035	25%	0.247	C	C	.	.			trans	-59.4	138.4	-173.2	65.5	0	0	0	0	114.4	G297 S306 R573	G297-S308 PolarHBondContact N-O 2.7Å; S306-S308 WeakPolarHBondContact OG-CB 3.22Å; S306-S308 PolarHBondContact OG-N 3.47Å; S306-S308 PolarHBondContact OG-OG 3.06Å; S308-R573 PolarHBondContact O-NH1 3.3Å; S308-R573 PolarHBondContact OG-NH1 3.26Å
309	V	97.4	Very high	92.3	Very high	2 Å²	2	48.7 Å²	48.7	1%	0.012	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	124.5	177.8	-172.1	0	0	0	0	110.5	V294 V295 I296 L322 L325 W368	V294-V309 HydrophobicContact CG1-CG1 3.8Å; V295-V309 WeakPolarHBondContact O-CA 3.21Å; I296-V309 HydrophobicContact CG1-CG1 4.16Å; I296-V309 HydrophobicContact CG2-CG2 4.14Å; V309-L322 HydrophobicContact CB-CB 4.14Å; V309-L322 HydrophobicContact CG1-CB 3.98Å; V309-L322 HydrophobicContact CG1-CD1 4.03Å; V309-L322 HydrophobicContact CG1-CG 4.5Å; V309-L322 PolarHBondContact O-N 2.85Å; V309-L325 HydrophobicContact CG2-CD1 4.33Å; V309-L325 HydrophobicContact CG2-CD2 4.4Å; V309-L325 HydrophobicContact CG2-CG 3.86Å; V309-W368 HydrophobicContact CG2-CZ2 4.05Å
310	E	97.3	Very high	92.2	Very high	1 Å²	1	51 Å²	51	1%	0.005	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	145.3	-176.1	-61.9	176.7	-103.8	0	0	111.5	V294 V295 W319 N320 M569 N570 H571 R573	V294-E310 CarbonylContact C-O 3.43Å; V294-E310 WeakPolarHBondContact CA-O 3.28Å; V295-E310 PolarHBondContact N-O 3.14Å; V295-E310 PolarHBondContact O-N 2.9Å; E310-W319 HydrophobicContact CB-CE3 3.8Å; E310-W319 HydrophobicContact CB-CZ3 4.2Å; E310-N320 CarbonylContact C-O 3.38Å; E310-N320 WeakPolarHBondContact CA-O 3.34Å; E310-M569 VanDerWaalsContact OE2-CA 3.31Å; E310-M569 WeakPolarHBondContact OE2-CA 3.45Å; E310-N570 PolarHBondContact OE2-N 3.29Å; E310-H571 IonicContact OE1-CD2 3.82Å; E310-R573 VanDerWaalsContact CG-NH2 3.31Å; E310-R573 IonicContact OE1-CZ 3.86Å; E310-R573 IonicContact OE1-NE 3.38Å; E310-R573 IonicContact OE1-NH2 2.79Å; E310-R573 PolarHBondContact OE1-NH2 2.9Å
311	M	96.4	Very high	92.3	Very high	23 Å²	23	56.9 Å²	56.9	11%	0.113	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	121.8	-178.8	-176	177.6	70.4	0	0	111.3	Y292 L293 V294 W319 N320 L322 I361 F583	Y292-M311 HydrophobicContact CD1-CE 4.19Å; Y292-M311 HydrophobicContact CD1-CG 4.11Å; Y292-M311 HydrophobicContact CD1-SD 4.13Å; Y292-M311 HydrophobicContact CD2-SD 4.49Å; Y292-M311 HydrophobicContact CE1-CE 4.46Å; Y292-M311 HydrophobicContact CG-CG 4.12Å; Y292-M311 HydrophobicContact CG-SD 3.93Å; L293-M311 CarbonylContact O-C 3.51Å; L293-M311 VanDerWaalsContact O-CA 3.28Å; L293-M311 WeakPolarHBondContact O-CA 3.3Å; V294-M311 HydrophobicContact CG2-CB 4.33Å; V294-M311 HydrophobicContact CG2-CG 4.04Å; M311-W319 CarbonylContact O-C 3.5Å; M311-W319 WeakPolarHBondContact O-CA 3.37Å; M311-N320 PolarHBondContact N-O 3.21Å; M311-N320 PolarHBondContact O-N 3.15Å; M311-L322 HydrophobicContact CB-CD1 3.93Å; M311-L322 HydrophobicContact CB-CD2 4.34Å; M311-L322 HydrophobicContact CB-CG 4.01Å; M311-L322 HydrophobicContact CE-CD2 4.39Å; M311-L322 HydrophobicContact SD-CD2 4.46Å; M311-I361 HydrophobicContact SD-CD1 4.44Å; M311-I361 HydrophobicContact SD-CG2 4.29Å; M311-F583 HydrophobicContact SD-CE2 4.25Å; M311-F583 HydrophobicContact SD-CZ 4.39Å
312	F	95.1	Very high	92.6	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	132.3	-179.9	164.6	-98.4	0	0	0	112.2	L293 P314 L317 W319 L532 Y537 V551 S567	L293-F312 HydrophobicContact CB-CB 4.19Å; L293-F312 HydrophobicContact CB-CD1 4Å; L293-F312 HydrophobicContact CD2-CD1 4.43Å; L293-F312 PolarHBondContact N-O 3.01Å; L293-F312 VanDerWaalsContact N-O 3.09Å; L293-F312 PolarHBondContact O-N 3.42Å; F312-P314 HydrophobicContact CE1-CB 3.9Å; F312-L317 HydrophobicContact CE2-CB 4.34Å; F312-L317 HydrophobicContact CE2-CD2 4.07Å; F312-L317 HydrophobicContact CZ-CD2 3.77Å; F312-W319 HydrophobicContact CB-CD2 3.7Å; F312-W319 HydrophobicContact CB-CE3 3.63Å; F312-W319 HydrophobicContact CB-CG 4.47Å; F312-W319 HydrophobicContact CB-CH2 3.61Å; F312-W319 HydrophobicContact CB-CZ2 3.65Å; F312-W319 HydrophobicContact CB-CZ3 3.6Å; F312-W319 HydrophobicContact CD2-CD2 4.21Å; F312-W319 AromaticContact CD2-CE2 3.63Å; F312-W319 HydrophobicContact CD2-CG 4.45Å; F312-W319 AromaticContact CD2-CZ2 3.92Å; F312-W319 HydrophobicContact CD2-CZ2 3.92Å; F312-W319 AromaticContact CD2-NE1 3.55Å; F312-W319 HydrophobicContact CG-CD2 4.42Å; F312-W319 AromaticContact CG-CE2 3.99Å; F312-W319 HydrophobicContact CG-CH2 4.3Å; F312-W319 AromaticContact CG-CZ2 3.92Å; F312-W319 HydrophobicContact CG-CZ2 3.92Å; F312-L532 HydrophobicContact CD1-CD2 4.45Å; F312-L532 HydrophobicContact CE1-CD2 4.41Å; F312-Y537 AromaticContact CE1-CD1 3.88Å; F312-Y537 HydrophobicContact CE1-CD1 3.88Å; F312-Y537 AromaticContact CE1-CE1 3.48Å; F312-Y537 HydrophobicContact CE1-CE1 3.48Å; F312-Y537 VanDerWaalsContact CE1-CE1 3.48Å; F312-Y537 HydrophobicContact CZ-CD1 4.5Å; F312-Y537 AromaticContact CZ-CE1 3.85Å; F312-Y537 HydrophobicContact CZ-CE1 3.85Å; F312-V551 HydrophobicContact CE2-CG1 4.22Å; F312-V551 HydrophobicContact CZ-CG1 4.48Å; F312-S567 WeakPolarHBondContact CE2-OG 3.38Å
313	N	89.3	Confident	92.8	Very high	18 Å²	18	50.6 Å²	50.6	10%	0.096	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	108.5	175.3	-178.3	-10.4	0	0	0	110.7	Y292 R315 T316 L317 E318	Y292-N313 HydrophobicContact CD1-CB 3.91Å; Y292-N313 HydrophobicContact CE1-CB 3.74Å; N313-R315 PolarHBondContact O-N 3.27Å; N313-R315 PolarHBondContact OD1-N 3.24Å; N313-T316 WeakPolarHBondContact CB-OG1 3.36Å; N313-T316 PolarHBondContact ND2-OG1 3.38Å; N313-T316 PolarHBondContact O-N 3.46Å; N313-T316 PolarHBondContact OD1-N 3.04Å; N313-L317 WeakPolarHBondContact O-CA 3.31Å; N313-L317 PolarHBondContact O-N 2.97Å; N313-E318 PolarHBondContact N-O 3.05Å
314	P	86.7	Confident	93.1	Very high	21 Å²	21	49.6 Å²	49.6	14%	0.136	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-15.2	-178.2	28.4	-36.7	0	0	0	114.1	E291 F312 L532	E291-P314 WeakPolarHBondContact O-CD 3.36Å; F312-P314 HydrophobicContact CE1-CB 3.9Å; P314-L532 HydrophobicContact CB-CD2 3.93Å; P314-L532 HydrophobicContact CB-CG 4.34Å; P314-L532 HydrophobicContact CG-CD1 4.18Å; P314-L532 HydrophobicContact CG-CD2 3.9Å; P314-L532 HydrophobicContact CG-CG 4.08Å
315	R	81.2	Confident	93.3	Very high	128 Å²	128	45.1 Å²	45.1	48%	0.483	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-22.1	-179.7	-76.2	-176.8	-85	115.2	-5.4	114.7	G289 N290 N313	G289-R315 PolarHBondContact O-NH2 3.26Å; N290-R315 PolarHBondContact OD1-NH2 2.85Å; N313-R315 PolarHBondContact O-N 3.27Å; N313-R315 PolarHBondContact OD1-N 3.24Å
316	T	84.4	Confident	93.3	Very high	68 Å²	68	47.7 Å²	47.7	42%	0.417	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.8	-12.9	173.2	62.4	0	0	0	0	113.6	N313 E318	N313-T316 WeakPolarHBondContact CB-OG1 3.36Å; N313-T316 PolarHBondContact ND2-OG1 3.38Å; N313-T316 PolarHBondContact O-N 3.46Å; N313-T316 PolarHBondContact OD1-N 3.04Å; T316-E318 WeakPolarHBondContact CB-OE2 3.15Å; T316-E318 PolarHBondContact O-N 2.7Å; T316-E318 PolarHBondContact OG1-OE2 3.18Å
317	L	89.2	Confident	93	Very high	73 Å²	73	50.2 Å²	50.2	38%	0.382	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.8	20	-172.7	-50.6	178.4	0	0	0	113.7	F312 N313 S567	F312-L317 HydrophobicContact CE2-CB 4.34Å; F312-L317 HydrophobicContact CE2-CD2 4.07Å; F312-L317 HydrophobicContact CZ-CD2 3.77Å; N313-L317 WeakPolarHBondContact O-CA 3.31Å; N313-L317 PolarHBondContact O-N 2.97Å; L317-S567 WeakPolarHBondContact O-CB 3.43Å; L317-S567 PolarHBondContact O-OG 3.11Å
318	E	91.9	Very high	92.9	Very high	113 Å²	113	48.9 Å²	48.9	53%	0.528	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	141.4	178.9	-63.7	162.9	142.3	0	0	111.4	N313 T316	N313-E318 PolarHBondContact N-O 3.05Å; T316-E318 WeakPolarHBondContact CB-OE2 3.15Å; T316-E318 PolarHBondContact O-N 2.7Å; T316-E318 PolarHBondContact OG1-OE2 3.18Å
319	W	96.2	Very high	92.6	Very high	32 Å²	32	48.8 Å²	48.8	12%	0.121	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	143	168.3	-68.2	84.7	0	0	0	110.1	L293 V295 E310 M311 F312 A539 V551 S567 R568 M569	L293-W319 HydrophobicContact CD2-CH2 4.43Å; V295-W319 HydrophobicContact CB-CZ3 4.3Å; V295-W319 HydrophobicContact CG2-CH2 3.78Å; V295-W319 HydrophobicContact CG2-CZ3 3.75Å; E310-W319 HydrophobicContact CB-CE3 3.8Å; E310-W319 HydrophobicContact CB-CZ3 4.2Å; M311-W319 CarbonylContact O-C 3.5Å; M311-W319 WeakPolarHBondContact O-CA 3.37Å; F312-W319 HydrophobicContact CB-CD2 3.7Å; F312-W319 HydrophobicContact CB-CE3 3.63Å; F312-W319 HydrophobicContact CB-CG 4.47Å; F312-W319 HydrophobicContact CB-CH2 3.61Å; F312-W319 HydrophobicContact CB-CZ2 3.65Å; F312-W319 HydrophobicContact CB-CZ3 3.6Å; F312-W319 HydrophobicContact CD2-CD2 4.21Å; F312-W319 AromaticContact CD2-CE2 3.63Å; F312-W319 HydrophobicContact CD2-CG 4.45Å; F312-W319 AromaticContact CD2-CZ2 3.92Å; F312-W319 HydrophobicContact CD2-CZ2 3.92Å; F312-W319 AromaticContact CD2-NE1 3.55Å; F312-W319 HydrophobicContact CG-CD2 4.42Å; F312-W319 AromaticContact CG-CE2 3.99Å; F312-W319 HydrophobicContact CG-CH2 4.3Å; F312-W319 AromaticContact CG-CZ2 3.92Å; F312-W319 HydrophobicContact CG-CZ2 3.92Å; W319-A539 HydrophobicContact CH2-CB 4.08Å; W319-V551 HydrophobicContact CZ2-CB 3.98Å; W319-V551 HydrophobicContact CZ2-CG1 4.07Å; W319-V551 HydrophobicContact CZ2-CG2 4.43Å; W319-S567 PolarHBondContact NE1-OG 3.32Å; W319-S567 VanDerWaalsContact NE1-OG 3.13Å; W319-R568 VanDerWaalsContact CD1-C 3.47Å; W319-M569 HydrophobicContact CD2-CG 3.92Å; W319-M569 HydrophobicContact CE3-CG 3.87Å; W319-M569 HydrophobicContact CH2-CG 3.53Å; W319-M569 HydrophobicContact CH2-SD 3.92Å; W319-M569 HydrophobicContact CZ2-CG 3.59Å; W319-M569 HydrophobicContact CZ2-SD 4.45Å; W319-M569 HydrophobicContact CZ3-CG 3.68Å; W319-M569 HydrophobicContact CZ3-SD 4.12Å
320	N	93.8	Very high	92.5	Very high	78 Å²	78	50.3 Å²	50.3	42%	0.417	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	134.4	178.7	-65.9	-100.4	0	0	0	109.4	E310 M311	E310-N320 CarbonylContact C-O 3.38Å; E310-N320 WeakPolarHBondContact CA-O 3.34Å; M311-N320 PolarHBondContact N-O 3.21Å; M311-N320 PolarHBondContact O-N 3.15Å
321	E	95.3	Very high	92.5	Very high	131 Å²	131	52.9 Å²	52.9	61%	0.612	27%	0.268	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.7	142.2	174.3	-70.3	163.4	177.9	0	0	111	N570	E321-N570 PolarHBondContact OE1-ND2 3.39Å
322	L	95.8	Very high	92.4	Very high	13 Å²	13	52.2 Å²	52.2	7%	0.068	27%	0.265	C	S	.	.			trans	-111.6	168.9	170.3	-65.1	-175.4	0	0	0	109.1	V294 V309 M311 D324 I361	V294-L322 HydrophobicContact CG1-CD1 4.09Å; V294-L322 HydrophobicContact CG2-CD1 4.47Å; V309-L322 HydrophobicContact CB-CB 4.14Å; V309-L322 HydrophobicContact CG1-CB 3.98Å; V309-L322 HydrophobicContact CG1-CD1 4.03Å; V309-L322 HydrophobicContact CG1-CG 4.5Å; V309-L322 PolarHBondContact O-N 2.85Å; M311-L322 HydrophobicContact CB-CD1 3.93Å; M311-L322 HydrophobicContact CB-CD2 4.34Å; M311-L322 HydrophobicContact CB-CG 4.01Å; M311-L322 HydrophobicContact CE-CD2 4.39Å; M311-L322 HydrophobicContact SD-CD2 4.46Å; L322-D324 PolarHBondContact O-N 3.28Å; L322-I361 HydrophobicContact CD1-CD1 3.61Å; L322-I361 HydrophobicContact CD1-CG1 4.2Å; L322-I361 HydrophobicContact CD1-CG2 4.21Å; L322-I361 HydrophobicContact CD2-CG2 3.76Å
323	P	95.8	Very high	92.5	Very high	42 Å²	42	52.6 Å²	52.6	27%	0.273	27%	0.268	S	S	.	.	P	Polyproline II helix	trans	-55.2	128.6	175.4	-24.9	34.6	0	0	0	111.7	R364 W368	P323-R364 HydrophobicContact CG-CB 4.14Å; P323-W368 PolarHBondContact O-NE1 3.43Å
324	D	96	Very high	92.9	Very high	93 Å²	93	52.4 Å²	52.4	50%	0.497	27%	0.269	S	S	.	.	P	Polyproline II helix	trans	-62	153.5	178.9	-52	-65.6	0	0	0	111.9	D307 L322 W368	D307-D324 HydrophobicContact CB-CB 4.41Å; L322-D324 PolarHBondContact O-N 3.28Å; D324-W368 PolarHBondContact O-NE1 3.19Å; D324-W368 VanDerWaalsContact O-NE1 3.17Å
325	L	95.4	Very high	93.4	Very high	7 Å²	7	51.7 Å²	51.7	4%	0.037	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-64.8	147.5	178	-66.7	162.8	0	0	0	111.3	I296 D307 V309 I327 Y329 V343 W368	I296-L325 HydrophobicContact CG2-CD1 3.87Å; I296-L325 HydrophobicContact CG2-CD2 4.31Å; I296-L325 HydrophobicContact CG2-CG 4.45Å; D307-L325 HydrophobicContact CB-CB 4.13Å; D307-L325 WeakPolarHBondContact O-CB 3.4Å; D307-L325 WeakPolarHBondContact O-CG 3.43Å; D307-L325 PolarHBondContact O-N 2.8Å; V309-L325 HydrophobicContact CG2-CD1 4.33Å; V309-L325 HydrophobicContact CG2-CD2 4.4Å; V309-L325 HydrophobicContact CG2-CG 3.86Å; L325-I327 VanDerWaalsContact CB-O 3.25Å; L325-I327 WeakPolarHBondContact CB-O 3.27Å; L325-I327 PolarHBondContact O-N 2.9Å; L325-I327 VanDerWaalsContact O-N 3.11Å; L325-Y329 HydrophobicContact CB-CE2 4.49Å; L325-Y329 HydrophobicContact CD1-CD2 3.67Å; L325-Y329 HydrophobicContact CD1-CE2 4.2Å; L325-Y329 HydrophobicContact CD2-CD2 4.39Å; L325-Y329 HydrophobicContact CD2-CE2 4.18Å; L325-Y329 HydrophobicContact CG-CD2 4.48Å; L325-V343 HydrophobicContact CD2-CB 4.45Å; L325-V343 HydrophobicContact CD2-CG1 4.16Å; L325-V343 HydrophobicContact CD2-CG2 4.15Å; L325-W368 HydrophobicContact CD2-CD2 4.08Å; L325-W368 HydrophobicContact CD2-CE3 4.29Å; L325-W368 HydrophobicContact CD2-CH2 3.94Å; L325-W368 HydrophobicContact CD2-CZ2 3.7Å; L325-W368 HydrophobicContact CD2-CZ3 4.22Å
326	P	93.3	Very high	94.1	Very high	73 Å²	73	46.7 Å²	46.7	47%	0.474	25%	0.249	S	C	.	.	S	Bend	trans	-66.2	-12.5	176.5	-24.3	37	0	0	0	115	Y357 W368	P326-Y357 HydrophobicContact CB-CE1 4.21Å; P326-Y357 HydrophobicContact CG-CD1 4.1Å; P326-Y357 HydrophobicContact CG-CE1 3.72Å; P326-W368 HydrophobicContact CG-CB 3.66Å; P326-W368 HydrophobicContact CG-CG 4.2Å
327	I	90.7	Very high	94.4	Very high	68 Å²	68	45.4 Å²	45.4	35%	0.349	24%	0.24	S	C	.	.	S	Bend	trans	-149.7	138.8	178.8	-51.1	174.9	0	0	0	106.4	L325 Y329 D348	L325-I327 VanDerWaalsContact CB-O 3.25Å; L325-I327 WeakPolarHBondContact CB-O 3.27Å; L325-I327 PolarHBondContact O-N 2.9Å; L325-I327 VanDerWaalsContact O-N 3.11Å; I327-Y329 HydrophobicContact CB-CD1 4.41Å; I327-Y329 HydrophobicContact CB-CE1 3.59Å; I327-Y329 HydrophobicContact CD1-CE1 4.46Å; I327-Y329 HydrophobicContact CG2-CD1 4.26Å; I327-Y329 HydrophobicContact CG2-CE1 3.72Å; I327-D348 HydrophobicContact CG2-CB 4.13Å
328	S	93.6	Very high	94.2	Very high	38 Å²	38	44.2 Å²	44.2	27%	0.266	25%	0.245	S	C	.	.			trans	-69.5	135.5	174.4	-48.7	0	0	0	0	112	P305 S306 D348	P305-S328 VanDerWaalsContact O-CB 3.23Å; P305-S328 WeakPolarHBondContact O-CB 3.3Å; S306-S328 WeakPolarHBondContact O-CA 3.41Å; S328-D348 WeakPolarHBondContact O-CA 3.44Å
329	Y	89.7	Confident	94.2	Very high	2 Å²	2	39.9 Å²	39.9	1%	0.008	23%	0.226	C	C	.	.			trans	-132.9	133.5	-179	-53.6	-46.7	0	0	0	112	G297 G298 S306 L325 I327 V332 V343 L353 Y357	G297-Y329 CarbonylContact C-O 3.53Å; G298-Y329 PolarHBondContact N-O 3.41Å; G298-Y329 VanDerWaalsContact O-O 3.12Å; S306-Y329 PolarHBondContact O-N 2.83Å; L325-Y329 HydrophobicContact CB-CE2 4.49Å; L325-Y329 HydrophobicContact CD1-CD2 3.67Å; L325-Y329 HydrophobicContact CD1-CE2 4.2Å; L325-Y329 HydrophobicContact CD2-CD2 4.39Å; L325-Y329 HydrophobicContact CD2-CE2 4.18Å; L325-Y329 HydrophobicContact CG-CD2 4.48Å; I327-Y329 HydrophobicContact CB-CD1 4.41Å; I327-Y329 HydrophobicContact CB-CE1 3.59Å; I327-Y329 HydrophobicContact CD1-CE1 4.46Å; I327-Y329 HydrophobicContact CG2-CD1 4.26Å; I327-Y329 HydrophobicContact CG2-CE1 3.72Å; Y329-V332 HydrophobicContact CD2-CG2 4.16Å; Y329-V332 HydrophobicContact CG-CG2 4.36Å; Y329-V343 HydrophobicContact CD2-CG1 3.8Å; Y329-V343 HydrophobicContact CE2-CG1 3.99Å; Y329-L353 HydrophobicContact CD1-CD1 3.52Å; Y329-L353 HydrophobicContact CE1-CD1 3.28Å; Y329-Y357 HydrophobicContact CE2-CD2 4.42Å; Y329-Y357 WeakPolarHBondContact OH-CD2 3.33Å; Y329-Y357 WeakPolarHBondContact OH-CE2 3.44Å
330	R	95.5	Very high	94.1	Very high	35 Å²	35	40 Å²	40	13%	0.132	23%	0.231	C	C	.	.	B	Isolated β-bridge	trans	-108.6	170.5	156	71.8	-178.5	-64.5	177.9	7.1	110.6	G298 F299 P305 V332 G346 F347 D575	G298-R330 WeakPolarHBondContact O-CB 3.21Å; F299-R330 HydrophobicContact CB-CB 4.11Å; F299-R330 VanDerWaalsContact CD2-CZ 3.4Å; F299-R330 VanDerWaalsContact CZ-NH1 3.31Å; P305-R330 HydrophobicContact CB-CB 4.38Å; P305-R330 HydrophobicContact CB-CG 4.49Å; P305-R330 HydrophobicContact CG-CG 4.45Å; R330-V332 PolarHBondContact O-N 3Å; R330-G346 CarbonylContact O-C 3.56Å; R330-G346 WeakPolarHBondContact O-CA 3.32Å; R330-F347 HydrophobicContact CG-CB 4.22Å; R330-F347 HydrophobicContact CG-CD1 3.85Å; R330-F347 PolarHBondContact N-O 2.88Å; R330-F347 PolarHBondContact O-N 3.27Å; R330-D575 HydrophobicContact CB-CB 4.18Å; R330-D575 IonicContact CZ-OD2 3.26Å; R330-D575 IonicContact NE-OD2 2.64Å; R330-D575 PolarHBondContact NE-OD2 3.16Å; R330-D575 IonicContact NH2-OD2 2.79Å; R330-D575 PolarHBondContact NH2-OD2 2.83Å
331	Y	96.5	Very high	94.3	Very high	55 Å²	55	36.3 Å²	36.3	22%	0.216	21%	0.211	C	C	.	.	S	Bend	trans	59	27	178.8	-56.1	-46.2	0	0	0	113.4	F347 L380 D575	Y331-F347 HydrophobicContact CD2-CB 3.81Å; Y331-F347 HydrophobicContact CD2-CD1 4.12Å; Y331-F347 HydrophobicContact CD2-CG 4.25Å; Y331-F347 HydrophobicContact CE2-CD1 4.13Å; Y331-L380 HydrophobicContact CD1-CD1 4Å; Y331-L380 HydrophobicContact CD1-CD2 3.63Å; Y331-L380 HydrophobicContact CD1-CG 3.58Å; Y331-L380 HydrophobicContact CE1-CD1 4.23Å; Y331-L380 HydrophobicContact CE1-CD2 4.46Å; Y331-L380 HydrophobicContact CE1-CG 4.3Å; Y331-L380 HydrophobicContact CG-CD2 4.24Å; Y331-L380 HydrophobicContact CG-CG 3.88Å; Y331-L380 PolarHBondContact O-N 2.81Å; Y331-D575 HydrophobicContact CD1-CB 3.77Å; Y331-D575 WeakPolarHBondContact CD1-OD1 3Å; Y331-D575 HydrophobicContact CE1-CB 4.24Å; Y331-D575 WeakPolarHBondContact CE1-OD1 3.23Å; Y331-D575 VanDerWaalsContact CE1-OD2 3.23Å; Y331-D575 WeakPolarHBondContact CE1-OD2 3.37Å; Y331-D575 PolarHBondContact N-O 2.86Å; Y331-D575 VanDerWaalsContact N-O 3.13Å
332	V	94.9	Very high	94.4	Very high	9 Å²	9	31 Å²	31	6%	0.055	19%	0.186	C	C	.	.			trans	-89.6	137.3	-168	83.6	0	0	0	0	111.1	Y329 R330 V343 I344 G577	Y329-V332 HydrophobicContact CD2-CG2 4.16Å; Y329-V332 HydrophobicContact CG-CG2 4.36Å; R330-V332 PolarHBondContact O-N 3Å; V332-V343 HydrophobicContact CG1-CG1 4.3Å; V332-V343 HydrophobicContact CG2-CG1 3.48Å; V332-V343 VanDerWaalsContact CG2-CG1 3.48Å; V332-I344 WeakPolarHBondContact CG2-O 3.38Å; V332-G577 WeakPolarHBondContact O-CA 3.47Å; V332-G577 PolarHBondContact O-N 2.94Å
333	A	97	Very high	94.5	Very high	8 Å²	8	30.5 Å²	30.5	7%	0.066	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	146.5	171.5	0	0	0	0	0	109.7	I344 A383	A333-I344 HydrophobicContact CB-CB 4.12Å; A333-I344 HydrophobicContact CB-CG2 4.45Å; A333-I344 PolarHBondContact N-O 2.81Å; A333-I344 VanDerWaalsContact N-O 3.12Å; A333-I344 PolarHBondContact O-N 2.78Å; A333-A383 HydrophobicContact CB-CB 3.82Å
334	A	96.8	Very high	94.6	Very high	14 Å²	14	28.5 Å²	28.5	12%	0.116	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	147.7	178.4	0	0	0	0	0	112.2	I296 Y342	I296-A334 HydrophobicContact CD1-CB 3.72Å; A334-Y342 VanDerWaalsContact CA-O 3.28Å; A334-Y342 WeakPolarHBondContact CA-O 3.31Å
335	C	97.2	Very high	94.7	Very high	6 Å²	6	24.1 Å²	24.1	4%	0.041	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	168.9	174.6	60.8	0	0	0	0	110.5	Y342 T385	C335-Y342 PolarHBondContact N-O 2.79Å; C335-Y342 PolarHBondContact O-N 3.22Å; C335-T385 HydrophobicContact CB-CG2 4.07Å
336	S	96.1	Very high	94.8	Very high	22 Å²	22	23.8 Å²	23.8	15%	0.154	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	148.5	-173.5	47.9	0	0	0	0	112.3	C340 V580	S336-C340 CarbonylContact C-O 3.58Å; S336-C340 VanDerWaalsContact CA-O 3.29Å; S336-C340 WeakPolarHBondContact CA-O 3.35Å; S336-V580 WeakPolarHBondContact CB-O 3.36Å; S336-V580 PolarHBondContact OG-O 3.01Å
337	L	92.2	Very high	94.9	Very high	42 Å²	42	21.3 Å²	21.3	22%	0.22	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	105.8	169.2	-68.8	174.9	0	0	0	108.3	T339 C340 Y342 T385 I390 P410	L337-T339 PolarHBondContact O-N 2.94Å; L337-C340 PolarHBondContact N-O 2.97Å; L337-C340 WeakPolarHBondContact O-CB 3.36Å; L337-C340 PolarHBondContact O-N 3.46Å; L337-C340 VanDerWaalsContact O-N 3.12Å; L337-Y342 HydrophobicContact CB-CE2 4.11Å; L337-Y342 HydrophobicContact CD1-CE2 4.24Å; L337-Y342 HydrophobicContact CG-CE2 4.34Å; L337-T385 HydrophobicContact CD1-CG2 4.43Å; L337-T385 HydrophobicContact CD2-CG2 3.57Å; L337-T385 HydrophobicContact CG-CG2 3.83Å; L337-I390 HydrophobicContact CD1-CD1 4.18Å; L337-I390 HydrophobicContact CD1-CG1 4.04Å; L337-P410 HydrophobicContact CD1-CG 3.68Å
338	G	85.3	Confident	95.2	Very high	48 Å²	48	20.6 Å²	20.6	50%	0.495	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	63	-122.8	-171.7	0	0	0	0	0	111.6	V581 R582	G338-V581 WeakPolarHBondContact O-CG1 3.48Å; G338-R582 CarbonylContact C-O 3.5Å; G338-R582 VanDerWaalsContact C-O 3.3Å; G338-R582 PolarHBondContact O-N 2.76Å
339	T	90.4	Very high	95.1	Very high	22 Å²	22	20.4 Å²	20.4	14%	0.135	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-7.7	175.6	56	0	0	0	0	114	L337 D360 I361 A362 R582 F583	L337-T339 PolarHBondContact O-N 2.94Å; T339-D360 WeakPolarHBondContact CB-OD1 3.22Å; T339-D360 PolarHBondContact OG1-OD1 2.7Å; T339-I361 PolarHBondContact O-N 3.11Å; T339-A362 HydrophobicContact CG2-CB 4.07Å; T339-R582 WeakPolarHBondContact CG2-O 3.37Å; T339-F583 HydrophobicContact CG2-CB 4.4Å; T339-F583 HydrophobicContact CG2-CD1 3.75Å; T339-F583 HydrophobicContact CG2-CE1 4.27Å; T339-F583 HydrophobicContact CG2-CG 4.1Å
340	C	94.9	Very high	95.3	Very high	33 Å²	33	26.5 Å²	26.5	22%	0.223	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	122.8	-179.8	-64.8	0	0	0	0	111.7	S336 L337 Y342 L359	S336-C340 CarbonylContact C-O 3.58Å; S336-C340 VanDerWaalsContact CA-O 3.29Å; S336-C340 WeakPolarHBondContact CA-O 3.35Å; L337-C340 PolarHBondContact N-O 2.97Å; L337-C340 WeakPolarHBondContact O-CB 3.36Å; L337-C340 PolarHBondContact O-N 3.46Å; L337-C340 VanDerWaalsContact O-N 3.12Å; C340-Y342 HydrophobicContact CB-CE2 3.69Å; C340-L359 WeakPolarHBondContact CA-O 3.35Å
341	V	97.2	Very high	95.2	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.006	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	141.2	167.8	171.3	0	0	0	0	109.7	V294 I296 V343 S358 L359 I361 W368 V581	V294-V341 HydrophobicContact CG2-CG2 4.49Å; I296-V341 HydrophobicContact CD1-CG1 3.37Å; V341-V343 HydrophobicContact CG1-CG2 4.23Å; V341-S358 CarbonylContact O-C 3.55Å; V341-S358 WeakPolarHBondContact O-CA 3.48Å; V341-L359 PolarHBondContact N-O 3.36Å; V341-L359 PolarHBondContact O-N 3.43Å; V341-I361 HydrophobicContact CG2-CD1 3.74Å; V341-I361 HydrophobicContact CG2-CG1 4.25Å; V341-W368 HydrophobicContact CG1-CH2 4.14Å; V341-V581 HydrophobicContact CG2-CG2 3.3Å
342	Y	98.1	Very high	95.3	Very high	21 Å²	21	29.5 Å²	29.5	8%	0.082	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	137.6	175.8	-63.4	-100	0	0	0	110.1	A334 C335 L337 C340 Y357 L371 I390 Y408	A334-Y342 VanDerWaalsContact CA-O 3.28Å; A334-Y342 WeakPolarHBondContact CA-O 3.31Å; C335-Y342 PolarHBondContact N-O 2.79Å; C335-Y342 PolarHBondContact O-N 3.22Å; L337-Y342 HydrophobicContact CB-CE2 4.11Å; L337-Y342 HydrophobicContact CD1-CE2 4.24Å; L337-Y342 HydrophobicContact CG-CE2 4.34Å; C340-Y342 HydrophobicContact CB-CE2 3.69Å; Y342-Y357 CarbonylContact C-O 3.53Å; Y342-Y357 WeakPolarHBondContact CA-O 3.28Å; Y342-L371 HydrophobicContact CD1-CD1 3.78Å; Y342-L371 HydrophobicContact CE1-CD1 3.65Å; Y342-I390 HydrophobicContact CD1-CD1 3.58Å; Y342-I390 HydrophobicContact CD2-CD1 3.57Å; Y342-I390 HydrophobicContact CE1-CD1 3.93Å; Y342-I390 HydrophobicContact CE2-CD1 3.93Å; Y342-I390 HydrophobicContact CG-CD1 3.38Å; Y342-Y408 HydrophobicContact CE1-CE1 4.1Å
343	V	97.5	Very high	95.4	Very high	2 Å²	2	29.6 Å²	29.6	1%	0.012	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	121.6	-176.5	-178.1	0	0	0	0	107.7	I296 L325 Y329 V332 V341 V356 Y357 W368	I296-V343 HydrophobicContact CD1-CG2 3.82Å; I296-V343 HydrophobicContact CG2-CG1 4.18Å; I296-V343 HydrophobicContact CG2-CG2 3.76Å; L325-V343 HydrophobicContact CD2-CB 4.45Å; L325-V343 HydrophobicContact CD2-CG1 4.16Å; L325-V343 HydrophobicContact CD2-CG2 4.15Å; Y329-V343 HydrophobicContact CD2-CG1 3.8Å; Y329-V343 HydrophobicContact CE2-CG1 3.99Å; V332-V343 HydrophobicContact CG1-CG1 4.3Å; V332-V343 HydrophobicContact CG2-CG1 3.48Å; V332-V343 VanDerWaalsContact CG2-CG1 3.48Å; V341-V343 HydrophobicContact CG1-CG2 4.23Å; V343-V356 WeakPolarHBondContact O-CA 3.43Å; V343-Y357 PolarHBondContact N-O 2.93Å; V343-Y357 PolarHBondContact O-N 2.99Å; V343-W368 HydrophobicContact CB-CZ3 4.38Å; V343-W368 HydrophobicContact CG2-CH2 3.56Å; V343-W368 HydrophobicContact CG2-CZ3 3.57Å
344	I	98.1	Very high	95.4	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	116.6	-155.4	-60.4	172	0	0	0	109.9	V332 A333 G346 V356 M374 A383 I390 V392	V332-I344 WeakPolarHBondContact CG2-O 3.38Å; A333-I344 HydrophobicContact CB-CB 4.12Å; A333-I344 HydrophobicContact CB-CG2 4.45Å; A333-I344 PolarHBondContact N-O 2.81Å; A333-I344 VanDerWaalsContact N-O 3.12Å; A333-I344 PolarHBondContact O-N 2.78Å; I344-G346 PolarHBondContact O-N 2.79Å; I344-V356 HydrophobicContact CG1-CG1 4.36Å; I344-M374 HydrophobicContact CG2-CE 3.68Å; I344-M374 HydrophobicContact CG2-SD 3.45Å; I344-M374 WeakPolarHBondContact CG2-SD 3.37Å; I344-A383 HydrophobicContact CD1-CB 4.2Å; I344-I390 HydrophobicContact CD1-CG2 3.7Å; I344-V392 HydrophobicContact CD1-CG2 4.11Å; I344-V392 HydrophobicContact CG2-CG1 4.3Å; I344-V392 HydrophobicContact CG2-CG2 3.96Å
345	G	97.3	Very high	95.4	Very high	1 Å²	1	32.2 Å²	32.2	1%	0.01	19%	0.188	C	C	.	.			trans	64.6	-125.9	176	0	0	0	0	0	112.9	L353 T355	G345-L353 VanDerWaalsContact CA-O 3.26Å; G345-L353 WeakPolarHBondContact CA-O 3.2Å; G345-T355 PolarHBondContact N-O 3.33Å
346	G	97.3	Very high	95.5	Very high	0 Å²	0	32 Å²	32	0%	0	19%	0.186	C	C	.	.			trans	90.8	-159.1	-177.2	0	0	0	0	0	113.9	R330 I344 R352 L353 R378	R330-G346 CarbonylContact O-C 3.56Å; R330-G346 WeakPolarHBondContact O-CA 3.32Å; I344-G346 PolarHBondContact O-N 2.79Å; G346-R352 WeakPolarHBondContact O-CA 3.07Å; G346-L353 PolarHBondContact O-N 3.02Å; G346-R378 PolarHBondContact N-O 3.1Å
347	F	97.3	Very high	95.6	Very high	21 Å²	21	32.3 Å²	32.3	9%	0.092	18%	0.184	C	C	.	.	B	Isolated β-bridge	trans	-145.5	127.4	-177.2	178.4	-115.5	0	0	0	109.3	R330 Y331 G349 E351 R352	R330-F347 HydrophobicContact CG-CB 4.22Å; R330-F347 HydrophobicContact CG-CD1 3.85Å; R330-F347 PolarHBondContact N-O 2.88Å; R330-F347 PolarHBondContact O-N 3.27Å; Y331-F347 HydrophobicContact CD2-CB 3.81Å; Y331-F347 HydrophobicContact CD2-CD1 4.12Å; Y331-F347 HydrophobicContact CD2-CG 4.25Å; Y331-F347 HydrophobicContact CE2-CD1 4.13Å; F347-G349 VanDerWaalsContact CE1-CA 3.45Å; F347-G349 VanDerWaalsContact CZ-O 3.23Å; F347-G349 WeakPolarHBondContact CZ-O 3.21Å; F347-E351 VanDerWaalsContact CD2-C 3.47Å; F347-E351 VanDerWaalsContact CD2-O 3.24Å; F347-E351 WeakPolarHBondContact CD2-O 3.37Å; F347-R352 HydrophobicContact CD2-CG 4.21Å; F347-R352 VanDerWaalsContact CE2-NH1 3.31Å
348	D	95.2	Very high	95.8	Very high	53 Å²	53	31.1 Å²	31.1	28%	0.283	18%	0.179	S	C	.	.			trans	-90.4	3.1	-176.8	64.9	-1.6	0	0	0	114.2	I327 S328 N350 E351 L353	I327-D348 HydrophobicContact CG2-CB 4.13Å; S328-D348 WeakPolarHBondContact O-CA 3.44Å; D348-N350 WeakPolarHBondContact OD1-CA 3.42Å; D348-N350 WeakPolarHBondContact OD1-CB 3.39Å; D348-N350 PolarHBondContact OD1-N 2.87Å; D348-E351 PolarHBondContact N-O 3.18Å; D348-E351 PolarHBondContact OD1-N 3Å; D348-L353 HydrophobicContact CB-CD1 4.27Å
349	G	92.1	Very high	96.3	Very high	33 Å²	33	28.9 Å²	28.9	34%	0.34	16%	0.156	S	C	.	.	S	Bend	trans	101.7	-20.8	-171.2	0	0	0	0	0	113.4	F347	F347-G349 VanDerWaalsContact CE1-CA 3.45Å; F347-G349 VanDerWaalsContact CZ-O 3.23Å; F347-G349 WeakPolarHBondContact CZ-O 3.21Å
350	N	93.4	Very high	96.5	Very high	130 Å²	130	29.4 Å²	29.4	70%	0.695	16%	0.158	S	C	*	.	S	Bend	trans	-115.9	-55.2	-178.8	172	53.6	0	0	0	111.7	D348	D348-N350 WeakPolarHBondContact OD1-CA 3.42Å; D348-N350 WeakPolarHBondContact OD1-CB 3.39Å; D348-N350 PolarHBondContact OD1-N 2.87Å
351	E	94.9	Very high	96.4	Very high	84 Å²	84	28 Å²	28	39%	0.393	15%	0.148	S	C	.	.	S	Bend	trans	-132.2	158.7	179.7	69.7	161.4	-154.4	0	0	115.3	F347 D348 L353 K377	F347-E351 VanDerWaalsContact CD2-C 3.47Å; F347-E351 VanDerWaalsContact CD2-O 3.24Å; F347-E351 WeakPolarHBondContact CD2-O 3.37Å; D348-E351 PolarHBondContact N-O 3.18Å; D348-E351 PolarHBondContact OD1-N 3Å; E351-L353 HydrophobicContact CG-CD2 4.18Å; E351-K377 IonicContact OE1-NZ 3.35Å; E351-K377 PolarHBondContact OE1-NZ 3.47Å; E351-K377 IonicContact OE2-NZ 3.14Å; E351-K377 PolarHBondContact OE2-NZ 3.06Å
352	R	97.4	Very high	95.7	Very high	69 Å²	69	30.2 Å²	30.2	26%	0.26	17%	0.166	S	C	.	.	B	Isolated β-bridge	trans	-81.4	139.4	176.5	-73.7	69.2	178.5	167.4	5.8	107.5	G346 F347 K377 F396	G346-R352 WeakPolarHBondContact O-CA 3.07Å; F347-R352 HydrophobicContact CD2-CG 4.21Å; F347-R352 VanDerWaalsContact CE2-NH1 3.31Å; R352-K377 HydrophobicContact CB-CB 4.26Å; R352-K377 WeakPolarHBondContact O-CD 3.33Å; R352-K377 WeakPolarHBondContact O-CE 3.37Å; R352-K377 VanDerWaalsContact O-CG 3.24Å; R352-K377 WeakPolarHBondContact O-CG 3.24Å; R352-F396 HydrophobicContact CG-CD1 4.48Å
353	L	97.4	Very high	95.2	Very high	11 Å²	11	34.6 Å²	34.6	6%	0.058	19%	0.188	C	C	.	.			trans	-107.8	150	-166.8	-58	178.3	0	0	0	112.4	Y329 G345 G346 D348 E351 K377 R378	Y329-L353 HydrophobicContact CD1-CD1 3.52Å; Y329-L353 HydrophobicContact CE1-CD1 3.28Å; G345-L353 VanDerWaalsContact CA-O 3.26Å; G345-L353 WeakPolarHBondContact CA-O 3.2Å; G346-L353 PolarHBondContact O-N 3.02Å; D348-L353 HydrophobicContact CB-CD1 4.27Å; E351-L353 HydrophobicContact CG-CD2 4.18Å; L353-K377 CarbonylContact O-C 3.54Å; L353-K377 WeakPolarHBondContact O-CA 3.44Å; L353-R378 PolarHBondContact O-N 2.99Å
354	N	97.5	Very high	94.6	Very high	47 Å²	47	40.6 Å²	40.6	25%	0.251	21%	0.21	S	C	.	.			trans	-111.3	3.9	165	69.5	-31.1	0	0	0	112.2	P373 M374 Y376 K377	N354-P373 CarbonylContact O-C 3.57Å; N354-P373 VanDerWaalsContact O-CA 3.24Å; N354-P373 WeakPolarHBondContact O-CA 3.29Å; N354-P373 WeakPolarHBondContact O-CB 3.4Å; N354-M374 HydrophobicContact CB-CB 4.15Å; N354-M374 WeakPolarHBondContact CB-O 3.2Å; N354-M374 PolarHBondContact ND2-O 2.73Å; N354-M374 PolarHBondContact O-N 3.09Å; N354-Y376 WeakPolarHBondContact CB-O 3.36Å; N354-K377 HydrophobicContact CB-CG 4.02Å
355	T	97.6	Very high	94.1	Very high	31 Å²	31	49.8 Å²	49.8	19%	0.19	25%	0.253	C	S	.	.			trans	-64.3	148.5	177.7	45.7	0	0	0	0	111.9	G345 L370	G345-T355 PolarHBondContact N-O 3.33Å; T355-L370 HydrophobicContact CG2-CD1 4.43Å
356	V	98	Very high	93.7	Very high	1 Å²	1	57.7 Å²	57.7	1%	0.006	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	123.6	179.7	-176.1	0	0	0	0	108.1	V343 I344 L371 M374 W415	V343-V356 WeakPolarHBondContact O-CA 3.43Å; I344-V356 HydrophobicContact CG1-CG1 4.36Å; V356-L371 HydrophobicContact CB-CB 4.29Å; V356-L371 HydrophobicContact CG1-CB 4.28Å; V356-L371 HydrophobicContact CG1-CD1 4.11Å; V356-L371 PolarHBondContact O-N 2.84Å; V356-M374 HydrophobicContact CG2-CG 4.06Å; V356-W415 HydrophobicContact CG1-CZ2 4.27Å; V356-W415 HydrophobicContact CG2-CZ2 3.63Å
357	Y	97.6	Very high	93.5	Very high	28 Å²	28	58.9 Å²	58.9	11%	0.11	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	147.2	178.9	-81.3	-90.6	0	0	0	110.8	P326 Y329 Y342 V343 W368 R369 L370	P326-Y357 HydrophobicContact CB-CE1 4.21Å; P326-Y357 HydrophobicContact CG-CD1 4.1Å; P326-Y357 HydrophobicContact CG-CE1 3.72Å; Y329-Y357 HydrophobicContact CE2-CD2 4.42Å; Y329-Y357 WeakPolarHBondContact OH-CD2 3.33Å; Y329-Y357 WeakPolarHBondContact OH-CE2 3.44Å; Y342-Y357 CarbonylContact C-O 3.53Å; Y342-Y357 WeakPolarHBondContact CA-O 3.28Å; V343-Y357 PolarHBondContact N-O 2.93Å; V343-Y357 PolarHBondContact O-N 2.99Å; Y357-W368 HydrophobicContact CD1-CB 4.15Å; Y357-R369 CarbonylContact C-O 3.59Å; Y357-R369 WeakPolarHBondContact CA-O 3.37Å; Y357-L370 HydrophobicContact CD1-CB 4.25Å; Y357-L370 HydrophobicContact CD2-CD1 4.15Å; Y357-L370 HydrophobicContact CE1-CB 3.8Å; Y357-L370 HydrophobicContact CE1-CD1 4.18Å; Y357-L370 HydrophobicContact CE2-CD1 3.68Å
358	S	97.4	Very high	93.5	Very high	17 Å²	17	59.5 Å²	59.5	12%	0.119	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	142.5	174.9	62.4	0	0	0	0	112.9	V341 W368 R369	V341-S358 CarbonylContact O-C 3.55Å; V341-S358 WeakPolarHBondContact O-CA 3.48Å; S358-W368 VanDerWaalsContact C-CE3 3.46Å; S358-R369 PolarHBondContact N-O 3.38Å; S358-R369 PolarHBondContact O-N 3.07Å
359	L	96.8	Very high	93.6	Very high	2 Å²	2	63.9 Å²	63.9	1%	0.01	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	124.7	172.5	176	70.3	0	0	0	108.8	C340 V341 I361 R364 G367 W368	C340-L359 WeakPolarHBondContact CA-O 3.35Å; V341-L359 PolarHBondContact N-O 3.36Å; V341-L359 PolarHBondContact O-N 3.43Å; L359-I361 HydrophobicContact CD2-CG1 4.27Å; L359-I361 HydrophobicContact CG-CG1 4.44Å; L359-R364 HydrophobicContact CD1-CB 4.34Å; L359-G367 WeakPolarHBondContact CD1-O 3.45Å; L359-W368 HydrophobicContact CB-CD2 3.78Å; L359-W368 HydrophobicContact CB-CE3 3.57Å; L359-W368 HydrophobicContact CB-CH2 3.62Å; L359-W368 HydrophobicContact CB-CZ2 3.81Å; L359-W368 HydrophobicContact CB-CZ3 3.5Å; L359-W368 HydrophobicContact CD2-CH2 4.23Å; L359-W368 HydrophobicContact CD2-CZ2 3.71Å; L359-W368 HydrophobicContact CG-CZ2 4.37Å
360	D	94.4	Very high	93.9	Very high	33 Å²	33	66.9 Å²	66.9	18%	0.176	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	111.9	162.5	177.7	8.7	0	0	0	108.5	T339 A362 Q363 R364	T339-D360 WeakPolarHBondContact CB-OD1 3.22Å; T339-D360 PolarHBondContact OG1-OD1 2.7Å; D360-A362 PolarHBondContact O-N 2.83Å; D360-A362 WeakPolarHBondContact OD1-CB 3.25Å; D360-A362 PolarHBondContact OD1-N 3.06Å; D360-Q363 HydrophobicContact CB-CB 4.3Å; D360-Q363 CarbonylContact O-C 3.53Å; D360-Q363 PolarHBondContact O-N 2.73Å; D360-Q363 WeakPolarHBondContact OD2-CG 3.32Å; D360-Q363 PolarHBondContact OD2-NE2 3.42Å; D360-R364 WeakPolarHBondContact O-CA 3.25Å; D360-R364 PolarHBondContact O-N 2.78Å
361	I	91.8	Very high	94.1	Very high	2 Å²	2	61.3 Å²	61.3	1%	0.01	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-70	-25.1	-176	-50.3	-179.4	0	0	0	111.4	V294 M311 L322 T339 V341 L359 Q363 V581 F583	V294-I361 HydrophobicContact CG2-CD1 3.86Å; M311-I361 HydrophobicContact SD-CD1 4.44Å; M311-I361 HydrophobicContact SD-CG2 4.29Å; L322-I361 HydrophobicContact CD1-CD1 3.61Å; L322-I361 HydrophobicContact CD1-CG1 4.2Å; L322-I361 HydrophobicContact CD1-CG2 4.21Å; L322-I361 HydrophobicContact CD2-CG2 3.76Å; T339-I361 PolarHBondContact O-N 3.11Å; V341-I361 HydrophobicContact CG2-CD1 3.74Å; V341-I361 HydrophobicContact CG2-CG1 4.25Å; L359-I361 HydrophobicContact CD2-CG1 4.27Å; L359-I361 HydrophobicContact CG-CG1 4.44Å; I361-Q363 PolarHBondContact O-N 3.27Å; I361-V581 HydrophobicContact CD1-CB 4.32Å; I361-V581 HydrophobicContact CD1-CG1 4.11Å; I361-V581 HydrophobicContact CD1-CG2 3.87Å; I361-F583 HydrophobicContact CB-CE1 4.21Å; I361-F583 HydrophobicContact CB-CZ 3.79Å; I361-F583 HydrophobicContact CG2-CE1 4.28Å; I361-F583 HydrophobicContact CG2-CZ 3.66Å
362	A	83.6	Confident	94.3	Very high	48 Å²	48	60 Å²	60	40%	0.397	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-66.7	-28.9	172.5	0	0	0	0	0	112	T339 D360 F583	T339-A362 HydrophobicContact CG2-CB 4.07Å; D360-A362 PolarHBondContact O-N 2.83Å; D360-A362 WeakPolarHBondContact OD1-CB 3.25Å; D360-A362 PolarHBondContact OD1-N 3.06Å; A362-F583 HydrophobicContact CB-CD1 4.39Å; A362-F583 HydrophobicContact CB-CE1 4.27Å
363	Q	86.2	Confident	94.3	Very high	113 Å²	113	59.7 Å²	59.7	53%	0.528	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-117.1	32.3	179.7	-63.5	-179.6	97.2	0	0	112.1	D360 I361 E365 E366	D360-Q363 HydrophobicContact CB-CB 4.3Å; D360-Q363 CarbonylContact O-C 3.53Å; D360-Q363 PolarHBondContact O-N 2.73Å; D360-Q363 WeakPolarHBondContact OD2-CG 3.32Å; D360-Q363 PolarHBondContact OD2-NE2 3.42Å; I361-Q363 PolarHBondContact O-N 3.27Å; Q363-E365 PolarHBondContact O-N 2.98Å; Q363-E366 PolarHBondContact O-N 2.72Å
364	R	85.9	Confident	94.4	Very high	128 Å²	128	59.3 Å²	59.3	48%	0.483	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-55.8	-15.1	-172.5	68.4	-175.8	177.3	-74.3	-6.5	116.1	P323 L359 D360 E366 G367	P323-R364 HydrophobicContact CG-CB 4.14Å; L359-R364 HydrophobicContact CD1-CB 4.34Å; D360-R364 WeakPolarHBondContact O-CA 3.25Å; D360-R364 PolarHBondContact O-N 2.78Å; R364-E366 VanDerWaalsContact C-N 3.25Å; R364-E366 PolarHBondContact O-N 2.77Å; R364-G367 PolarHBondContact O-N 3.45Å
365	E	86.5	Confident	94.4	Very high	194 Å²	194	62.1 Å²	62.1	91%	0.907	31%	0.308	S	S	*	.	G	3₁₀ helix	trans	-67.9	-20.9	171.8	-62.6	-172.2	-175.2	0	0	113.4	Q363 G367	Q363-E365 PolarHBondContact O-N 2.98Å; E365-G367 VanDerWaalsContact C-N 3.3Å
366	E	90.3	Very high	94.4	Very high	166 Å²	166	64.3 Å²	64.3	78%	0.776	31%	0.314	S	S	*	.	G	3₁₀ helix	trans	-76.1	-19.2	171.4	-59.6	-150.9	141.4	0	0	112.8	Q363 R364	Q363-E366 PolarHBondContact O-N 2.72Å; R364-E366 VanDerWaalsContact C-N 3.25Å; R364-E366 PolarHBondContact O-N 2.77Å
367	G	93.3	Very high	94.4	Very high	25 Å²	25	67.3 Å²	67.3	26%	0.258	33%	0.327	S	S	.	.			trans	72.2	-162.8	179.4	0	0	0	0	0	114.6	L359 R364 E365	L359-G367 WeakPolarHBondContact CD1-O 3.45Å; R364-G367 PolarHBondContact O-N 3.45Å; E365-G367 VanDerWaalsContact C-N 3.3Å
368	W	97.3	Very high	94.4	Very high	34 Å²	34	66 Å²	66	13%	0.129	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-79.3	126.5	-176.7	-71.7	98.2	0	0	0	112.8	V309 P323 D324 L325 P326 V341 V343 Y357 S358 L359	V309-W368 HydrophobicContact CG2-CZ2 4.05Å; P323-W368 PolarHBondContact O-NE1 3.43Å; D324-W368 PolarHBondContact O-NE1 3.19Å; D324-W368 VanDerWaalsContact O-NE1 3.17Å; L325-W368 HydrophobicContact CD2-CD2 4.08Å; L325-W368 HydrophobicContact CD2-CE3 4.29Å; L325-W368 HydrophobicContact CD2-CH2 3.94Å; L325-W368 HydrophobicContact CD2-CZ2 3.7Å; L325-W368 HydrophobicContact CD2-CZ3 4.22Å; P326-W368 HydrophobicContact CG-CB 3.66Å; P326-W368 HydrophobicContact CG-CG 4.2Å; V341-W368 HydrophobicContact CG1-CH2 4.14Å; V343-W368 HydrophobicContact CB-CZ3 4.38Å; V343-W368 HydrophobicContact CG2-CH2 3.56Å; V343-W368 HydrophobicContact CG2-CZ3 3.57Å; Y357-W368 HydrophobicContact CD1-CB 4.15Å; S358-W368 VanDerWaalsContact C-CE3 3.46Å; L359-W368 HydrophobicContact CB-CD2 3.78Å; L359-W368 HydrophobicContact CB-CE3 3.57Å; L359-W368 HydrophobicContact CB-CH2 3.62Å; L359-W368 HydrophobicContact CB-CZ2 3.81Å; L359-W368 HydrophobicContact CB-CZ3 3.5Å; L359-W368 HydrophobicContact CD2-CH2 4.23Å; L359-W368 HydrophobicContact CD2-CZ2 3.71Å; L359-W368 HydrophobicContact CG-CZ2 4.37Å
369	R	96.7	Very high	94.4	Very high	146 Å²	146	65.3 Å²	65.3	55%	0.551	32%	0.317	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97	131.2	170.7	169.2	174.7	168.8	-169.2	-10.7	110.6	Y357 S358 L371 D413	Y357-R369 CarbonylContact C-O 3.59Å; Y357-R369 WeakPolarHBondContact CA-O 3.37Å; S358-R369 PolarHBondContact N-O 3.38Å; S358-R369 PolarHBondContact O-N 3.07Å; R369-L371 HydrophobicContact CG-CD2 4.06Å; R369-D413 IonicContact CZ-OD2 3.74Å; R369-D413 IonicContact NH2-OD2 3.92Å; R369-D413 PolarHBondContact NH2-OD2 2.91Å
370	L	97.5	Very high	94.4	Very high	95 Å²	95	66.5 Å²	66.5	50%	0.497	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	138.5	164.3	179.5	67	0	0	0	110	T355 Y357	T355-L370 HydrophobicContact CG2-CD1 4.43Å; Y357-L370 HydrophobicContact CD1-CB 4.25Å; Y357-L370 HydrophobicContact CD2-CD1 4.15Å; Y357-L370 HydrophobicContact CE1-CB 3.8Å; Y357-L370 HydrophobicContact CE1-CD1 4.18Å; Y357-L370 HydrophobicContact CE2-CD1 3.68Å
371	L	98	Very high	94.6	Very high	14 Å²	14	65.5 Å²	65.5	7%	0.073	32%	0.319	C	S	.	.			trans	-115.4	177.3	178.4	-61.5	175.4	0	0	0	111.2	Y342 V356 R369 Y408	Y342-L371 HydrophobicContact CD1-CD1 3.78Å; Y342-L371 HydrophobicContact CE1-CD1 3.65Å; V356-L371 HydrophobicContact CB-CB 4.29Å; V356-L371 HydrophobicContact CG1-CB 4.28Å; V356-L371 HydrophobicContact CG1-CD1 4.11Å; V356-L371 PolarHBondContact O-N 2.84Å; R369-L371 HydrophobicContact CG-CD2 4.06Å; L371-Y408 HydrophobicContact CD1-CE1 4.3Å
372	T	98.3	Very high	94.8	Very high	57 Å²	57	65.7 Å²	65.7	35%	0.35	32%	0.321	S	S	.	.	P	Polyproline II helix	trans	-56.5	129.6	171.1	-64.4	0	0	0	0	109.7	D413 W415	T372-D413 WeakPolarHBondContact CB-O 3.29Å; T372-D413 VanDerWaalsContact CB-OD1 3.3Å; T372-D413 WeakPolarHBondContact CB-OD1 3.43Å; T372-D413 PolarHBondContact N-OD1 2.93Å; T372-D413 PolarHBondContact OG1-O 2.85Å; T372-D413 PolarHBondContact OG1-OD1 2.88Å; T372-D413 VanDerWaalsContact OG1-OD1 3.06Å; T372-W415 PolarHBondContact O-NE1 3.3Å
373	P	98.3	Very high	95.5	Very high	61 Å²	61	64.4 Å²	64.4	40%	0.396	31%	0.31	S	S	.	.	P	Polyproline II helix	trans	-74.6	157.9	-179.1	31.7	-36.6	0	0	0	112.1	N354	N354-P373 CarbonylContact O-C 3.57Å; N354-P373 VanDerWaalsContact O-CA 3.24Å; N354-P373 WeakPolarHBondContact O-CA 3.29Å; N354-P373 WeakPolarHBondContact O-CB 3.4Å
374	M	98.6	Very high	96	Very high	3 Å²	3	59.7 Å²	59.7	2%	0.015	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-62	157.5	171.3	-70.1	-178.1	-62.8	0	0	112.1	I344 N354 V356 Y376 R378 V392 W415	I344-M374 HydrophobicContact CG2-CE 3.68Å; I344-M374 HydrophobicContact CG2-SD 3.45Å; I344-M374 WeakPolarHBondContact CG2-SD 3.37Å; N354-M374 HydrophobicContact CB-CB 4.15Å; N354-M374 WeakPolarHBondContact CB-O 3.2Å; N354-M374 PolarHBondContact ND2-O 2.73Å; N354-M374 PolarHBondContact O-N 3.09Å; V356-M374 HydrophobicContact CG2-CG 4.06Å; M374-Y376 VanDerWaalsContact C-N 3.26Å; M374-Y376 WeakPolarHBondContact CB-O 3.37Å; M374-Y376 PolarHBondContact O-N 3.26Å; M374-R378 HydrophobicContact CE-CB 4.01Å; M374-R378 HydrophobicContact CE-CG 4.09Å; M374-R378 HydrophobicContact SD-CG 4.4Å; M374-V392 HydrophobicContact SD-CB 4.43Å; M374-V392 HydrophobicContact SD-CG1 4.02Å; M374-V392 HydrophobicContact SD-CG2 4.44Å; M374-W415 HydrophobicContact CG-CD2 3.86Å; M374-W415 HydrophobicContact CG-CE3 3.98Å; M374-W415 HydrophobicContact CG-CH2 3.75Å; M374-W415 HydrophobicContact CG-CZ2 3.6Å; M374-W415 HydrophobicContact CG-CZ3 3.93Å; M374-W415 HydrophobicContact SD-CH2 4.14Å; M374-W415 HydrophobicContact SD-CZ2 4.45Å; M374-W415 HydrophobicContact SD-CZ3 4.37Å
375	H	98.1	Very high	96.5	Very high	107 Å²	107	55.9 Å²	55.9	50%	0.495	28%	0.281	S	S	.	.	S	Bend	trans	-67.1	-29.4	174.2	-68	-84.4	0	0	0	112.3	E406 W415 I417	H375-E406 IonicContact CD2-OE2 2.82Å; H375-E406 PolarHBondContact CD2-OE2 2.87Å; H375-E406 IonicContact CG-OE2 2.65Å; H375-E406 PolarHBondContact N-OE2 2.87Å; H375-W415 PolarHBondContact NE2-O 2.83Å; H375-I417 HydrophobicContact CB-CD1 4.06Å; H375-I417 HydrophobicContact CB-CG1 4.22Å
376	Y	97.7	Very high	97	Very high	76 Å²	76	48 Å²	48	30%	0.298	25%	0.245	S	C	.	.	S	Bend	trans	-117.8	148.7	-179.2	-59.4	-97	0	0	0	111.7	N354 M374 L402 I417	N354-Y376 WeakPolarHBondContact CB-O 3.36Å; M374-Y376 VanDerWaalsContact C-N 3.26Å; M374-Y376 WeakPolarHBondContact CB-O 3.37Å; M374-Y376 PolarHBondContact O-N 3.26Å; Y376-L402 HydrophobicContact CD1-CD2 4.16Å; Y376-L402 HydrophobicContact CG-CD1 4.48Å; Y376-I417 HydrophobicContact CE2-CD1 3.87Å; Y376-I417 HydrophobicContact CE2-CG1 4.22Å
377	K	98.3	Very high	97	Very high	65 Å²	65	47.5 Å²	47.5	28%	0.283	24%	0.24	S	C	.	.			trans	-74.4	135	165.7	-74.8	176.2	150.3	-177.4	0	109	E351 R352 L353 N354 D397	E351-K377 IonicContact OE1-NZ 3.35Å; E351-K377 PolarHBondContact OE1-NZ 3.47Å; E351-K377 IonicContact OE2-NZ 3.14Å; E351-K377 PolarHBondContact OE2-NZ 3.06Å; R352-K377 HydrophobicContact CB-CB 4.26Å; R352-K377 WeakPolarHBondContact O-CD 3.33Å; R352-K377 WeakPolarHBondContact O-CE 3.37Å; R352-K377 VanDerWaalsContact O-CG 3.24Å; R352-K377 WeakPolarHBondContact O-CG 3.24Å; L353-K377 CarbonylContact O-C 3.54Å; L353-K377 WeakPolarHBondContact O-CA 3.44Å; N354-K377 HydrophobicContact CB-CG 4.02Å; K377-D397 HydrophobicContact CB-CB 4.29Å; K377-D397 VanDerWaalsContact O-CA 3.25Å; K377-D397 WeakPolarHBondContact O-CA 3.36Å; K377-D397 VanDerWaalsContact O-CB 3.29Å; K377-D397 WeakPolarHBondContact O-CB 3.49Å
378	R	98.1	Very high	97	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.248	C	C	.	.			trans	-147.9	99.1	-171.1	-56.5	-172.3	-175	-94.2	0	113.6	G346 L353 M374 G394 L402 S404 E406	G346-R378 PolarHBondContact N-O 3.1Å; L353-R378 PolarHBondContact O-N 2.99Å; M374-R378 HydrophobicContact CE-CB 4.01Å; M374-R378 HydrophobicContact CE-CG 4.09Å; M374-R378 HydrophobicContact SD-CG 4.4Å; R378-G394 WeakPolarHBondContact CD-O 3.45Å; R378-G394 PolarHBondContact NH1-O 3.06Å; R378-L402 HydrophobicContact CG-CD1 3.83Å; R378-S404 PolarHBondContact NH1-O 2.66Å; R378-S404 PolarHBondContact NH1-OG 3.2Å; R378-S404 PolarHBondContact NH2-O 3.28Å; R378-S404 PolarHBondContact NH2-OG 2.75Å; R378-E406 IonicContact CZ-OE1 3.13Å; R378-E406 IonicContact NE-OE1 2.69Å; R378-E406 PolarHBondContact NE-OE1 2.96Å; R378-E406 IonicContact NH2-OE1 3.62Å; R378-E406 PolarHBondContact NH2-OE1 2.79Å
379	G	97.2	Very high	97	Very high	3 Å²	3	48.5 Å²	48.5	3%	0.031	25%	0.252	C	S	.	.	B	Isolated β-bridge	trans	-87.2	149.2	156.9	0	0	0	0	0	111.1	S381 G395 F396	G379-S381 PolarHBondContact O-N 3.02Å; G379-G395 CarbonylContact O-C 3.6Å; G379-G395 WeakPolarHBondContact O-CA 3.5Å; G379-F396 PolarHBondContact N-O 2.87Å; G379-F396 PolarHBondContact O-N 2.85Å
380	L	97	Very high	97.1	Very high	27 Å²	27	41.6 Å²	41.6	14%	0.141	23%	0.226	C	C	.	.	S	Bend	trans	51.5	37	-179.6	-72.6	-179.2	0	0	0	113.5	Y331 G395 E426 G427 Y526	Y331-L380 HydrophobicContact CD1-CD1 4Å; Y331-L380 HydrophobicContact CD1-CD2 3.63Å; Y331-L380 HydrophobicContact CD1-CG 3.58Å; Y331-L380 HydrophobicContact CE1-CD1 4.23Å; Y331-L380 HydrophobicContact CE1-CD2 4.46Å; Y331-L380 HydrophobicContact CE1-CG 4.3Å; Y331-L380 HydrophobicContact CG-CD2 4.24Å; Y331-L380 HydrophobicContact CG-CG 3.88Å; Y331-L380 PolarHBondContact O-N 2.81Å; L380-G395 WeakPolarHBondContact O-CA 3.33Å; L380-E426 HydrophobicContact CB-CB 4.18Å; L380-G427 PolarHBondContact O-N 3.37Å; L380-Y526 HydrophobicContact CD1-CE1 4.11Å; L380-Y526 HydrophobicContact CD2-CD1 4.23Å; L380-Y526 HydrophobicContact CD2-CE1 4.48Å
381	S	97.7	Very high	97.2	Very high	11 Å²	11	37.9 Å²	37.9	8%	0.077	21%	0.205	C	C	.	.			trans	-78.4	157	170.1	51.7	0	0	0	0	111.4	G379	G379-S381 PolarHBondContact O-N 3.02Å
382	A	97.3	Very high	97.2	Very high	7 Å²	7	37.2 Å²	37.2	6%	0.058	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	126.9	175.5	0	0	0	0	0	108.9	V392 C393 A428 L430	A382-V392 WeakPolarHBondContact O-CA 3.33Å; A382-C393 PolarHBondContact N-O 2.9Å; A382-C393 PolarHBondContact O-N 3.05Å; A382-A428 VanDerWaalsContact CB-O 3.3Å; A382-A428 WeakPolarHBondContact CB-O 3.44Å; A382-L430 HydrophobicContact CB-CB 3.57Å
383	A	97.6	Very high	97.2	Very high	21 Å²	21	34.6 Å²	34.6	17%	0.174	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	148.2	-176.9	0	0	0	0	0	112	A333 I344 Y391 V392	A333-A383 HydrophobicContact CB-CB 3.82Å; I344-A383 HydrophobicContact CD1-CB 4.2Å; A383-Y391 CarbonylContact C-O 3.57Å; A383-Y391 VanDerWaalsContact CA-O 3.22Å; A383-Y391 WeakPolarHBondContact CA-O 3.35Å; A383-V392 HydrophobicContact CB-CG2 4.01Å
384	C	96.9	Very high	97.2	Very high	14 Å²	14	31.7 Å²	31.7	10%	0.095	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	176.9	175.2	69.4	0	0	0	0	111.1	Y391 L430 V432	C384-Y391 PolarHBondContact N-O 2.87Å; C384-Y391 PolarHBondContact O-N 2.81Å; C384-L430 HydrophobicContact CB-CD2 4.29Å; C384-L430 HydrophobicContact CB-CG 4.26Å; C384-L430 WeakPolarHBondContact SG-CD2 3.46Å; C384-V432 HydrophobicContact CB-CG2 4.25Å; C384-V432 WeakPolarHBondContact SG-CG2 3.13Å
385	T	96.7	Very high	97.1	Very high	47 Å²	47	31.6 Å²	31.6	29%	0.288	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	146	177.3	41	0	0	0	0	112.1	C335 L337 L389 I390	C335-T385 HydrophobicContact CB-CG2 4.07Å; L337-T385 HydrophobicContact CD1-CG2 4.43Å; L337-T385 HydrophobicContact CD2-CG2 3.57Å; L337-T385 HydrophobicContact CG-CG2 3.83Å; T385-L389 VanDerWaalsContact CA-O 3.29Å; T385-L389 WeakPolarHBondContact CA-O 3.15Å; T385-I390 HydrophobicContact CG2-CB 4.46Å; T385-I390 HydrophobicContact CG2-CG1 3.6Å
386	N	95.7	Very high	97.2	Very high	30 Å²	30	27.5 Å²	27.5	16%	0.16	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	137.9	166	-175.9	23.8	0	0	0	109.9	G388 L389 Y391 V432 D435 L457	N386-G388 PolarHBondContact O-N 2.94Å; N386-L389 PolarHBondContact N-O 2.81Å; N386-L389 PolarHBondContact O-N 2.82Å; N386-Y391 HydrophobicContact CB-CD2 4.38Å; N386-Y391 HydrophobicContact CB-CE2 3.94Å; N386-V432 HydrophobicContact CB-CG1 4.14Å; N386-V432 HydrophobicContact CB-CG2 4.29Å; N386-D435 PolarHBondContact ND2-OD1 3.02Å; N386-L457 WeakPolarHBondContact ND2-CD1 3.3Å
387	K	91.3	Very high	97.2	Very high	155 Å²	155	25.9 Å²	25.9	67%	0.674	14%	0.144	S	C	*	.	T	Hydrogen-bonded Turn	trans	46.5	38.3	175.7	-72.4	167.6	-179.5	168.1	0	115	L389 D435	K387-L389 VanDerWaalsContact C-N 3.33Å; K387-D435 WeakPolarHBondContact CE-OD1 3.46Å; K387-D435 IonicContact NZ-OD1 3.59Å; K387-D435 PolarHBondContact NZ-OD1 2.87Å; K387-D435 IonicContact NZ-OD2 3.62Å; K387-D435 PolarHBondContact NZ-OD2 2.6Å
388	G	93	Very high	97	Very high	42 Å²	42	24.3 Å²	24.3	43%	0.433	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.9	9.5	179.3	0	0	0	0	0	115.6	N386 P410	N386-G388 PolarHBondContact O-N 2.94Å; G388-P410 WeakPolarHBondContact O-CD 3.45Å
389	L	97.8	Very high	96.9	Very high	37 Å²	37	33 Å²	33	19%	0.194	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	153.7	173.1	-54.8	179.5	0	0	0	110.4	T385 N386 K387 Y391 V407 H409	T385-L389 VanDerWaalsContact CA-O 3.29Å; T385-L389 WeakPolarHBondContact CA-O 3.15Å; N386-L389 PolarHBondContact N-O 2.81Å; N386-L389 PolarHBondContact O-N 2.82Å; K387-L389 VanDerWaalsContact C-N 3.33Å; L389-Y391 HydrophobicContact CB-CD2 4.44Å; L389-Y391 HydrophobicContact CB-CE2 3.76Å; L389-V407 HydrophobicContact CB-CG2 3.92Å; L389-V407 HydrophobicContact CD1-CG2 4.16Å; L389-H409 HydrophobicContact CD2-CB 3.88Å; L389-H409 WeakPolarHBondContact CD2-CD2 3.45Å
390	I	98.5	Very high	96.9	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.005	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	131.6	176.4	-69.7	168.7	0	0	0	108.3	L337 Y342 I344 T385 V392 V407 Y408 W415	L337-I390 HydrophobicContact CD1-CD1 4.18Å; L337-I390 HydrophobicContact CD1-CG1 4.04Å; Y342-I390 HydrophobicContact CD1-CD1 3.58Å; Y342-I390 HydrophobicContact CD2-CD1 3.57Å; Y342-I390 HydrophobicContact CE1-CD1 3.93Å; Y342-I390 HydrophobicContact CE2-CD1 3.93Å; Y342-I390 HydrophobicContact CG-CD1 3.38Å; I344-I390 HydrophobicContact CD1-CG2 3.7Å; T385-I390 HydrophobicContact CG2-CB 4.46Å; T385-I390 HydrophobicContact CG2-CG1 3.6Å; I390-V392 HydrophobicContact CG2-CG2 4.14Å; I390-V407 CarbonylContact O-C 3.59Å; I390-V407 VanDerWaalsContact O-CA 3.29Å; I390-V407 WeakPolarHBondContact O-CA 3.35Å; I390-V407 WeakPolarHBondContact O-CG2 3.06Å; I390-Y408 HydrophobicContact CB-CD1 4.44Å; I390-Y408 HydrophobicContact CD1-CD1 4.12Å; I390-Y408 PolarHBondContact N-O 2.94Å; I390-Y408 VanDerWaalsContact N-O 3.15Å; I390-Y408 PolarHBondContact O-N 2.99Å; I390-W415 HydrophobicContact CG2-CH2 4.27Å
391	Y	98.5	Very high	97	Very high	17 Å²	17	37.6 Å²	37.6	7%	0.067	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	133.8	-177.7	-69.6	-91.4	0	0	0	109.9	A383 C384 N386 L389 F405 V407 L418 L437 L457	A383-Y391 CarbonylContact C-O 3.57Å; A383-Y391 VanDerWaalsContact CA-O 3.22Å; A383-Y391 WeakPolarHBondContact CA-O 3.35Å; C384-Y391 PolarHBondContact N-O 2.87Å; C384-Y391 PolarHBondContact O-N 2.81Å; N386-Y391 HydrophobicContact CB-CD2 4.38Å; N386-Y391 HydrophobicContact CB-CE2 3.94Å; L389-Y391 HydrophobicContact CB-CD2 4.44Å; L389-Y391 HydrophobicContact CB-CE2 3.76Å; Y391-F405 HydrophobicContact CD1-CE2 4.01Å; Y391-F405 AromaticContact CD1-CZ 3.68Å; Y391-F405 HydrophobicContact CD1-CZ 3.68Å; Y391-F405 HydrophobicContact CE1-CZ 4.48Å; Y391-F405 HydrophobicContact CG-CE2 4.5Å; Y391-F405 HydrophobicContact CG-CZ 4.44Å; Y391-V407 HydrophobicContact CD1-CB 3.77Å; Y391-V407 HydrophobicContact CD1-CG2 3.68Å; Y391-V407 HydrophobicContact CD2-CG2 4.34Å; Y391-V407 HydrophobicContact CE1-CB 3.78Å; Y391-V407 HydrophobicContact CE1-CG2 3.43Å; Y391-V407 VanDerWaalsContact CE1-CG2 3.43Å; Y391-V407 HydrophobicContact CE2-CG2 4.12Å; Y391-V407 HydrophobicContact CG-CG2 4.13Å; Y391-L418 HydrophobicContact CD1-CD1 4.18Å; Y391-L418 HydrophobicContact CE1-CD1 4.09Å; Y391-L437 HydrophobicContact CD1-CD2 4.14Å; Y391-L437 HydrophobicContact CD2-CD2 4.34Å; Y391-L437 HydrophobicContact CG-CD2 3.82Å; Y391-L457 HydrophobicContact CE1-CD2 3.68Å; Y391-L457 WeakPolarHBondContact OH-CD2 3.46Å
392	V	98.5	Very high	97	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	123.2	-176	-172.6	0	0	0	0	110.5	I344 M374 A382 A383 I390 F405 E406 W415	I344-V392 HydrophobicContact CD1-CG2 4.11Å; I344-V392 HydrophobicContact CG2-CG1 4.3Å; I344-V392 HydrophobicContact CG2-CG2 3.96Å; M374-V392 HydrophobicContact SD-CB 4.43Å; M374-V392 HydrophobicContact SD-CG1 4.02Å; M374-V392 HydrophobicContact SD-CG2 4.44Å; A382-V392 WeakPolarHBondContact O-CA 3.33Å; A383-V392 HydrophobicContact CB-CG2 4.01Å; I390-V392 HydrophobicContact CG2-CG2 4.14Å; V392-F405 WeakPolarHBondContact O-CD2 3.47Å; V392-E406 PolarHBondContact N-O 2.82Å; V392-E406 PolarHBondContact O-N 2.85Å; V392-W415 HydrophobicContact CB-CZ3 4.23Å; V392-W415 HydrophobicContact CG2-CH2 3.62Å; V392-W415 HydrophobicContact CG2-CZ3 3.68Å
393	C	97.8	Very high	97	Very high	2 Å²	2	42.8 Å²	42.8	1%	0.014	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	151.7	176.8	67.7	0	0	0	0	112.7	A382 F405 M421	A382-C393 PolarHBondContact N-O 2.9Å; A382-C393 PolarHBondContact O-N 3.05Å; C393-F405 HydrophobicContact CB-CB 4.41Å; C393-F405 HydrophobicContact CB-CD2 3.67Å; C393-F405 HydrophobicContact CB-CE2 4.32Å; C393-F405 HydrophobicContact CB-CG 4.34Å; C393-M421 HydrophobicContact CB-CE 4.05Å; C393-M421 HydrophobicContact CB-SD 4.07Å
394	G	98.3	Very high	97.1	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.01	22%	0.218	C	C	.	.			trans	64.6	-147.3	172.1	0	0	0	0	0	114	R378 S404 R425	R378-G394 WeakPolarHBondContact CD-O 3.45Å; R378-G394 PolarHBondContact NH1-O 3.06Å; G394-S404 PolarHBondContact N-O 2.6Å; G394-R425 CarbonylContact C-O 3.39Å; G394-R425 WeakPolarHBondContact CA-O 3.36Å
395	G	98.3	Very high	97.1	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.214	C	C	.	.			trans	87.7	-171.8	-167.5	0	0	0	0	0	113	G379 L380 L402 R425	G379-G395 CarbonylContact O-C 3.6Å; G379-G395 WeakPolarHBondContact O-CA 3.5Å; L380-G395 WeakPolarHBondContact O-CA 3.33Å; G395-L402 PolarHBondContact O-N 3.12Å; G395-R425 PolarHBondContact N-O 2.69Å
396	F	98.3	Very high	97.2	Very high	21 Å²	21	38.9 Å²	38.9	9%	0.092	20%	0.2	C	C	.	.	B	Isolated β-bridge	trans	-125.7	130.2	-178.7	179.6	-113.4	0	0	0	110.1	R352 G379 G398 S400 R401 E426	R352-F396 HydrophobicContact CG-CD1 4.48Å; G379-F396 PolarHBondContact N-O 2.87Å; G379-F396 PolarHBondContact O-N 2.85Å; F396-G398 VanDerWaalsContact CE1-CA 3.4Å; F396-G398 WeakPolarHBondContact CZ-O 3.29Å; F396-S400 WeakPolarHBondContact CA-O 3.3Å; F396-S400 VanDerWaalsContact CD2-C 3.44Å; F396-S400 WeakPolarHBondContact CD2-O 3.48Å; F396-R401 HydrophobicContact CD2-CG 4.17Å; F396-E426 HydrophobicContact CB-CB 4.22Å; F396-E426 VanDerWaalsContact CB-OE2 3.24Å; F396-E426 WeakPolarHBondContact CB-OE2 3.47Å
397	D	97.5	Very high	97.4	Very high	42 Å²	42	38.3 Å²	38.3	23%	0.225	20%	0.197	C	C	.	.			trans	-88.7	-7.8	-176.3	62.9	26.7	0	0	0	114	K377 Q399 S400 L402	K377-D397 HydrophobicContact CB-CB 4.29Å; K377-D397 VanDerWaalsContact O-CA 3.25Å; K377-D397 WeakPolarHBondContact O-CA 3.36Å; K377-D397 VanDerWaalsContact O-CB 3.29Å; K377-D397 WeakPolarHBondContact O-CB 3.49Å; D397-Q399 WeakPolarHBondContact OD1-CA 3.5Å; D397-Q399 WeakPolarHBondContact OD1-CB 3.37Å; D397-Q399 PolarHBondContact OD1-N 3.11Å; D397-S400 PolarHBondContact N-O 2.91Å; D397-S400 VanDerWaalsContact N-O 3.13Å; D397-S400 PolarHBondContact OD1-N 2.8Å; D397-S400 PolarHBondContact OD2-OG 3.35Å; D397-L402 HydrophobicContact CB-CD1 4.38Å; D397-L402 HydrophobicContact CB-CD2 4.39Å
398	G	95.7	Very high	97.7	Very high	33 Å²	33	31.1 Å²	31.1	34%	0.34	17%	0.166	S	C	.	.	S	Bend	trans	111.1	-18.1	-171.5	0	0	0	0	0	114.1	F396	F396-G398 VanDerWaalsContact CE1-CA 3.4Å; F396-G398 WeakPolarHBondContact CZ-O 3.29Å
399	Q	95.8	Very high	97.9	Very high	183 Å²	183	32.3 Å²	32.3	86%	0.855	16%	0.16	S	C	*	.	S	Bend	trans	-126	-45.1	179.7	-54.1	-178.3	15.8	0	0	111.5	D397	D397-Q399 WeakPolarHBondContact OD1-CA 3.5Å; D397-Q399 WeakPolarHBondContact OD1-CB 3.37Å; D397-Q399 PolarHBondContact OD1-N 3.11Å
400	S	96.9	Very high	97.9	Very high	51 Å²	51	32 Å²	32	36%	0.357	16%	0.161	S	C	.	.			trans	-127.9	147.9	-171.5	89	0	0	0	0	112.6	F396 D397	F396-S400 WeakPolarHBondContact CA-O 3.3Å; F396-S400 VanDerWaalsContact CD2-C 3.44Å; F396-S400 WeakPolarHBondContact CD2-O 3.48Å; D397-S400 PolarHBondContact N-O 2.91Å; D397-S400 VanDerWaalsContact N-O 3.13Å; D397-S400 PolarHBondContact OD1-N 2.8Å; D397-S400 PolarHBondContact OD2-OG 3.35Å
401	R	98.1	Very high	97.7	Very high	75 Å²	75	41.3 Å²	41.3	28%	0.283	20%	0.201	S	C	.	.	B	Isolated β-bridge	trans	-82.4	132.1	165.3	-78.2	79.7	-171.8	159.9	10.7	107.4	F396 A424 E426	F396-R401 HydrophobicContact CD2-CG 4.17Å; R401-A424 HydrophobicContact CB-CB 4.02Å; R401-A424 WeakPolarHBondContact O-CB 3.39Å; R401-E426 HydrophobicContact CG-CB 4.17Å; R401-E426 HydrophobicContact CG-CG 4.11Å; R401-E426 IonicContact CZ-OE1 2.72Å; R401-E426 IonicContact NE-OE1 2.67Å; R401-E426 PolarHBondContact NE-OE1 3.32Å; R401-E426 IonicContact NH2-OE1 3.37Å; R401-E426 PolarHBondContact NH2-OE1 2.97Å
402	L	98.5	Very high	97.6	Very high	10 Å²	10	44.8 Å²	44.8	5%	0.052	22%	0.22	C	C	.	.			trans	-89.2	147.7	-168.9	-63	173.8	0	0	0	112.3	Y376 R378 G395 D397 A424 R425	Y376-L402 HydrophobicContact CD1-CD2 4.16Å; Y376-L402 HydrophobicContact CG-CD1 4.48Å; R378-L402 HydrophobicContact CG-CD1 3.83Å; G395-L402 PolarHBondContact O-N 3.12Å; D397-L402 HydrophobicContact CB-CD1 4.38Å; D397-L402 HydrophobicContact CB-CD2 4.39Å; L402-A424 WeakPolarHBondContact O-CA 3.3Å; L402-R425 PolarHBondContact O-N 3.44Å
403	R	98.2	Very high	97.6	Very high	116 Å²	116	46.7 Å²	46.7	44%	0.438	23%	0.23	S	C	.	.			trans	-102.2	-24	163.4	-61.8	174.7	179	-135.9	-6.9	112	E420 M421 T422 A424	R403-E420 HydrophobicContact CB-CB 3.95Å; R403-E420 HydrophobicContact CB-CG 4.47Å; R403-M421 WeakPolarHBondContact CB-O 3.29Å; R403-M421 WeakPolarHBondContact CD-O 3.39Å; R403-M421 PolarHBondContact O-N 3.1Å; R403-T422 PolarHBondContact NH1-O 2.89Å; R403-T422 PolarHBondContact NH2-O 3.29Å; R403-A424 HydrophobicContact CG-CB 3.93Å
404	S	98.2	Very high	97.6	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	25%	0.247	C	C	.	.			trans	-59.3	143.3	-173.6	65.8	0	0	0	0	112.3	R378 G394 E420	R378-S404 PolarHBondContact NH1-O 2.66Å; R378-S404 PolarHBondContact NH1-OG 3.2Å; R378-S404 PolarHBondContact NH2-O 3.28Å; R378-S404 PolarHBondContact NH2-OG 2.75Å; G394-S404 PolarHBondContact N-O 2.6Å; S404-E420 WeakPolarHBondContact CA-OE1 3.46Å; S404-E420 VanDerWaalsContact CB-OE1 3.28Å; S404-E420 WeakPolarHBondContact CB-OE1 3.47Å; S404-E420 PolarHBondContact N-OE1 3.08Å
405	F	98.4	Very high	97.6	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	134.6	-176	-179.7	-147.8	0	0	0	107.9	Y391 V392 C393 L418 E419 L437 F455 W462	Y391-F405 HydrophobicContact CD1-CE2 4.01Å; Y391-F405 AromaticContact CD1-CZ 3.68Å; Y391-F405 HydrophobicContact CD1-CZ 3.68Å; Y391-F405 HydrophobicContact CE1-CZ 4.48Å; Y391-F405 HydrophobicContact CG-CE2 4.5Å; Y391-F405 HydrophobicContact CG-CZ 4.44Å; V392-F405 WeakPolarHBondContact O-CD2 3.47Å; C393-F405 HydrophobicContact CB-CB 4.41Å; C393-F405 HydrophobicContact CB-CD2 3.67Å; C393-F405 HydrophobicContact CB-CE2 4.32Å; C393-F405 HydrophobicContact CB-CG 4.34Å; F405-L418 HydrophobicContact CB-CB 4.32Å; F405-L418 HydrophobicContact CD1-CB 3.53Å; F405-L418 HydrophobicContact CD1-CD1 3.79Å; F405-L418 HydrophobicContact CD1-CG 4.29Å; F405-L418 HydrophobicContact CE1-CB 4.1Å; F405-L418 HydrophobicContact CE1-CD1 3.51Å; F405-L418 HydrophobicContact CE1-CG 4.47Å; F405-L418 HydrophobicContact CG-CB 4.07Å; F405-L418 HydrophobicContact CG-CD1 4.39Å; F405-L418 HydrophobicContact CZ-CD1 3.93Å; F405-L418 PolarHBondContact O-N 3.15Å; F405-E419 WeakPolarHBondContact CB-O 3.35Å; F405-L437 HydrophobicContact CE2-CD2 4.33Å; F405-L437 HydrophobicContact CZ-CD1 4.27Å; F405-L437 HydrophobicContact CZ-CD2 3.94Å; F405-F455 HydrophobicContact CD1-CD2 4.48Å; F405-F455 HydrophobicContact CD1-CE2 4.44Å; F405-F455 AromaticContact CE1-CD1 3.74Å; F405-F455 HydrophobicContact CE1-CD1 3.74Å; F405-F455 HydrophobicContact CE1-CD2 4.17Å; F405-F455 AromaticContact CE1-CE1 3.84Å; F405-F455 HydrophobicContact CE1-CE1 3.84Å; F405-F455 HydrophobicContact CE1-CE2 4.27Å; F405-F455 AromaticContact CE1-CG 3.88Å; F405-F455 HydrophobicContact CE1-CG 3.88Å; F405-F455 HydrophobicContact CE1-CZ 4.09Å; F405-F455 HydrophobicContact CZ-CD1 4.41Å; F405-W462 HydrophobicContact CB-CZ2 4.39Å; F405-W462 AromaticContact CD1-CZ2 3.67Å; F405-W462 HydrophobicContact CD1-CZ2 3.67Å; F405-W462 HydrophobicContact CD2-CZ2 4.37Å; F405-W462 AromaticContact CE1-CZ2 3.93Å; F405-W462 HydrophobicContact CE1-CZ2 3.93Å; F405-W462 AromaticContact CG-CZ2 3.92Å; F405-W462 HydrophobicContact CG-CZ2 3.92Å; F405-W462 HydrophobicContact CZ-CZ2 4.39Å
406	E	98.3	Very high	97.6	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	151	178.6	59	-171	123.2	0	0	112.4	H375 R378 V392 W415 R416	H375-E406 IonicContact CD2-OE2 2.82Å; H375-E406 PolarHBondContact CD2-OE2 2.87Å; H375-E406 IonicContact CG-OE2 2.65Å; H375-E406 PolarHBondContact N-OE2 2.87Å; R378-E406 IonicContact CZ-OE1 3.13Å; R378-E406 IonicContact NE-OE1 2.69Å; R378-E406 PolarHBondContact NE-OE1 2.96Å; R378-E406 IonicContact NH2-OE1 3.62Å; R378-E406 PolarHBondContact NH2-OE1 2.79Å; V392-E406 PolarHBondContact N-O 2.82Å; V392-E406 PolarHBondContact O-N 2.85Å; E406-W415 HydrophobicContact CB-CE3 4.11Å; E406-W415 HydrophobicContact CG-CE3 3.64Å; E406-W415 HydrophobicContact CG-CZ3 3.89Å; E406-R416 CarbonylContact C-O 3.5Å; E406-R416 VanDerWaalsContact CA-O 3.23Å; E406-R416 WeakPolarHBondContact CA-O 3.22Å; E406-R416 WeakPolarHBondContact CB-O 3.33Å
407	V	98.5	Very high	97.6	Very high	18 Å²	18	60.2 Å²	60.2	11%	0.109	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	135.6	-179.5	62.4	0	0	0	0	110.6	L389 I390 Y391 W415 R416 L418	L389-V407 HydrophobicContact CB-CG2 3.92Å; L389-V407 HydrophobicContact CD1-CG2 4.16Å; I390-V407 CarbonylContact O-C 3.59Å; I390-V407 VanDerWaalsContact O-CA 3.29Å; I390-V407 WeakPolarHBondContact O-CA 3.35Å; I390-V407 WeakPolarHBondContact O-CG2 3.06Å; Y391-V407 HydrophobicContact CD1-CB 3.77Å; Y391-V407 HydrophobicContact CD1-CG2 3.68Å; Y391-V407 HydrophobicContact CD2-CG2 4.34Å; Y391-V407 HydrophobicContact CE1-CB 3.78Å; Y391-V407 HydrophobicContact CE1-CG2 3.43Å; Y391-V407 VanDerWaalsContact CE1-CG2 3.43Å; Y391-V407 HydrophobicContact CE2-CG2 4.12Å; Y391-V407 HydrophobicContact CG-CG2 4.13Å; V407-W415 CarbonylContact O-C 3.53Å; V407-W415 WeakPolarHBondContact O-CA 3.45Å; V407-R416 HydrophobicContact CG1-CB 4.13Å; V407-R416 PolarHBondContact N-O 3.05Å; V407-R416 PolarHBondContact O-N 2.62Å; V407-L418 HydrophobicContact CB-CD1 3.94Å; V407-L418 HydrophobicContact CG1-CD1 3.83Å; V407-L418 HydrophobicContact CG1-CD2 4.1Å; V407-L418 HydrophobicContact CG1-CG 4Å
408	Y	98.8	Very high	97.6	Very high	4 Å²	4	60.6 Å²	60.6	2%	0.016	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	140.4	176.4	175.9	-108	0	0	0	111.4	Y342 L371 I390 P410 D413 E414 W415	Y342-Y408 HydrophobicContact CE1-CE1 4.1Å; L371-Y408 HydrophobicContact CD1-CE1 4.3Å; I390-Y408 HydrophobicContact CB-CD1 4.44Å; I390-Y408 HydrophobicContact CD1-CD1 4.12Å; I390-Y408 PolarHBondContact N-O 2.94Å; I390-Y408 VanDerWaalsContact N-O 3.15Å; I390-Y408 PolarHBondContact O-N 2.99Å; Y408-P410 HydrophobicContact CD1-CB 4.5Å; Y408-P410 HydrophobicContact CD1-CG 3.84Å; Y408-P410 HydrophobicContact CE1-CB 3.89Å; Y408-P410 HydrophobicContact CE1-CG 3.71Å; Y408-P410 WeakPolarHBondContact O-CD 3.4Å; Y408-D413 PolarHBondContact OH-OD1 2.85Å; Y408-D413 VanDerWaalsContact OH-OD1 3.08Å; Y408-E414 WeakPolarHBondContact CA-O 3.48Å; Y408-E414 WeakPolarHBondContact CD2-O 3.41Å; Y408-W415 AromaticContact CD2-CD1 3.69Å; Y408-W415 AromaticContact CD2-CD2 4Å; Y408-W415 HydrophobicContact CD2-CD2 4Å; Y408-W415 AromaticContact CD2-CE2 3.61Å; Y408-W415 HydrophobicContact CD2-CG 4.01Å; Y408-W415 HydrophobicContact CD2-CZ2 4.13Å; Y408-W415 AromaticContact CD2-NE1 3.43Å; Y408-W415 HydrophobicContact CG-CD2 4.22Å; Y408-W415 AromaticContact CG-CE2 3.82Å; Y408-W415 HydrophobicContact CG-CH2 4.38Å; Y408-W415 AromaticContact CG-CZ2 3.9Å; Y408-W415 HydrophobicContact CG-CZ2 3.9Å
409	H	97.8	Very high	97.7	Very high	67 Å²	67	65 Å²	65	31%	0.31	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	92.5	-179.4	-170.4	-58.6	0	0	0	111.2	L389 K411 I412 D413 E414	L389-H409 HydrophobicContact CD2-CB 3.88Å; L389-H409 WeakPolarHBondContact CD2-CD2 3.45Å; H409-K411 PolarHBondContact O-N 2.79Å; H409-I412 HydrophobicContact CB-CD1 4.06Å; H409-I412 HydrophobicContact CB-CG1 3.82Å; H409-I412 WeakPolarHBondContact O-CG1 3.42Å; H409-I412 PolarHBondContact O-N 3.09Å; H409-D413 PolarHBondContact O-N 2.99Å; H409-E414 PolarHBondContact N-O 3.15Å
410	P	96.4	Very high	97.8	Very high	32 Å²	32	60.6 Å²	60.6	21%	0.208	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-31	-169.2	-27	31.1	0	0	0	116.4	L337 G388 Y408 I412	L337-P410 HydrophobicContact CD1-CG 3.68Å; G388-P410 WeakPolarHBondContact O-CD 3.45Å; Y408-P410 HydrophobicContact CD1-CB 4.5Å; Y408-P410 HydrophobicContact CD1-CG 3.84Å; Y408-P410 HydrophobicContact CE1-CB 3.89Å; Y408-P410 HydrophobicContact CE1-CG 3.71Å; Y408-P410 WeakPolarHBondContact O-CD 3.4Å; P410-I412 PolarHBondContact O-N 3.43Å
411	K	94.8	Very high	97.9	Very high	196 Å²	196	58.3 Å²	58.3	85%	0.852	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-13.4	-179.8	-51.2	-177.7	-178.6	177.1	0	114.3	H409	H409-K411 PolarHBondContact O-N 2.79Å
412	I	97.2	Very high	97.8	Very high	90 Å²	90	58.3 Å²	58.3	46%	0.462	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-128.2	-2.4	-179	67.2	177	0	0	0	113.8	H409 P410 E414	H409-I412 HydrophobicContact CB-CD1 4.06Å; H409-I412 HydrophobicContact CB-CG1 3.82Å; H409-I412 WeakPolarHBondContact O-CG1 3.42Å; H409-I412 PolarHBondContact O-N 3.09Å; P410-I412 PolarHBondContact O-N 3.43Å; I412-E414 HydrophobicContact CD1-CB 3.99Å; I412-E414 WeakPolarHBondContact CD1-OE2 3.42Å; I412-E414 HydrophobicContact CG1-CB 3.88Å; I412-E414 PolarHBondContact O-N 3.46Å
413	D	97.7	Very high	97.8	Very high	39 Å²	39	59.5 Å²	59.5	21%	0.209	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	57.6	43.6	177.3	-143.7	-25	0	0	0	113.1	R369 T372 Y408 H409	R369-D413 IonicContact CZ-OD2 3.74Å; R369-D413 IonicContact NH2-OD2 3.92Å; R369-D413 PolarHBondContact NH2-OD2 2.91Å; T372-D413 WeakPolarHBondContact CB-O 3.29Å; T372-D413 VanDerWaalsContact CB-OD1 3.3Å; T372-D413 WeakPolarHBondContact CB-OD1 3.43Å; T372-D413 PolarHBondContact N-OD1 2.93Å; T372-D413 PolarHBondContact OG1-O 2.85Å; T372-D413 PolarHBondContact OG1-OD1 2.88Å; T372-D413 VanDerWaalsContact OG1-OD1 3.06Å; Y408-D413 PolarHBondContact OH-OD1 2.85Å; Y408-D413 VanDerWaalsContact OH-OD1 3.08Å; H409-D413 PolarHBondContact O-N 2.99Å
414	E	98.4	Very high	97.8	Very high	78 Å²	78	54.8 Å²	54.8	36%	0.364	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	137.3	-176.2	-172	-173.4	-143.6	0	0	112.2	Y408 H409 I412 R416	Y408-E414 WeakPolarHBondContact CA-O 3.48Å; Y408-E414 WeakPolarHBondContact CD2-O 3.41Å; H409-E414 PolarHBondContact N-O 3.15Å; I412-E414 HydrophobicContact CD1-CB 3.99Å; I412-E414 WeakPolarHBondContact CD1-OE2 3.42Å; I412-E414 HydrophobicContact CG1-CB 3.88Å; I412-E414 PolarHBondContact O-N 3.46Å; E414-R416 HydrophobicContact CG-CG 4.41Å; E414-R416 IonicContact OE1-NE 3.13Å; E414-R416 IonicContact OE2-CZ 2.83Å; E414-R416 IonicContact OE2-NE 3.14Å; E414-R416 PolarHBondContact OE2-NE 3.49Å; E414-R416 IonicContact OE2-NH2 3.2Å; E414-R416 PolarHBondContact OE2-NH2 3.49Å
415	W	98.7	Very high	97.8	Very high	10 Å²	10	54.8 Å²	54.8	4%	0.038	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	138.7	168.3	-72.6	91.2	0	0	0	111.4	V356 T372 M374 H375 I390 V392 E406 V407 Y408	V356-W415 HydrophobicContact CG1-CZ2 4.27Å; V356-W415 HydrophobicContact CG2-CZ2 3.63Å; T372-W415 PolarHBondContact O-NE1 3.3Å; M374-W415 HydrophobicContact CG-CD2 3.86Å; M374-W415 HydrophobicContact CG-CE3 3.98Å; M374-W415 HydrophobicContact CG-CH2 3.75Å; M374-W415 HydrophobicContact CG-CZ2 3.6Å; M374-W415 HydrophobicContact CG-CZ3 3.93Å; M374-W415 HydrophobicContact SD-CH2 4.14Å; M374-W415 HydrophobicContact SD-CZ2 4.45Å; M374-W415 HydrophobicContact SD-CZ3 4.37Å; H375-W415 PolarHBondContact NE2-O 2.83Å; I390-W415 HydrophobicContact CG2-CH2 4.27Å; V392-W415 HydrophobicContact CB-CZ3 4.23Å; V392-W415 HydrophobicContact CG2-CH2 3.62Å; V392-W415 HydrophobicContact CG2-CZ3 3.68Å; E406-W415 HydrophobicContact CB-CE3 4.11Å; E406-W415 HydrophobicContact CG-CE3 3.64Å; E406-W415 HydrophobicContact CG-CZ3 3.89Å; V407-W415 CarbonylContact O-C 3.53Å; V407-W415 WeakPolarHBondContact O-CA 3.45Å; Y408-W415 AromaticContact CD2-CD1 3.69Å; Y408-W415 AromaticContact CD2-CD2 4Å; Y408-W415 HydrophobicContact CD2-CD2 4Å; Y408-W415 AromaticContact CD2-CE2 3.61Å; Y408-W415 HydrophobicContact CD2-CG 4.01Å; Y408-W415 HydrophobicContact CD2-CZ2 4.13Å; Y408-W415 AromaticContact CD2-NE1 3.43Å; Y408-W415 HydrophobicContact CG-CD2 4.22Å; Y408-W415 AromaticContact CG-CE2 3.82Å; Y408-W415 HydrophobicContact CG-CH2 4.38Å; Y408-W415 AromaticContact CG-CZ2 3.9Å; Y408-W415 HydrophobicContact CG-CZ2 3.9Å
416	R	98.3	Very high	97.7	Very high	137 Å²	137	55.9 Å²	55.9	52%	0.517	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	133.4	176.2	-60.6	-177.1	-176.3	177.9	1.3	110.9	E406 V407 E414	E406-R416 CarbonylContact C-O 3.5Å; E406-R416 VanDerWaalsContact CA-O 3.23Å; E406-R416 WeakPolarHBondContact CA-O 3.22Å; E406-R416 WeakPolarHBondContact CB-O 3.33Å; V407-R416 HydrophobicContact CG1-CB 4.13Å; V407-R416 PolarHBondContact N-O 3.05Å; V407-R416 PolarHBondContact O-N 2.62Å; E414-R416 HydrophobicContact CG-CG 4.41Å; E414-R416 IonicContact OE1-NE 3.13Å; E414-R416 IonicContact OE2-CZ 2.83Å; E414-R416 IonicContact OE2-NE 3.14Å; E414-R416 PolarHBondContact OE2-NE 3.49Å; E414-R416 IonicContact OE2-NH2 3.2Å; E414-R416 PolarHBondContact OE2-NH2 3.49Å
417	I	98.1	Very high	97.7	Very high	83 Å²	83	56.1 Å²	56.1	43%	0.426	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	142.4	176	-57.9	171.5	0	0	0	109.4	H375 Y376	H375-I417 HydrophobicContact CB-CD1 4.06Å; H375-I417 HydrophobicContact CB-CG1 4.22Å; Y376-I417 HydrophobicContact CE2-CD1 3.87Å; Y376-I417 HydrophobicContact CE2-CG1 4.22Å
418	L	97.8	Very high	97.7	Very high	51 Å²	51	56 Å²	56	27%	0.267	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	176.7	177.6	-61.1	179.4	0	0	0	110.1	Y391 F405 V407	Y391-L418 HydrophobicContact CD1-CD1 4.18Å; Y391-L418 HydrophobicContact CE1-CD1 4.09Å; F405-L418 HydrophobicContact CB-CB 4.32Å; F405-L418 HydrophobicContact CD1-CB 3.53Å; F405-L418 HydrophobicContact CD1-CD1 3.79Å; F405-L418 HydrophobicContact CD1-CG 4.29Å; F405-L418 HydrophobicContact CE1-CB 4.1Å; F405-L418 HydrophobicContact CE1-CD1 3.51Å; F405-L418 HydrophobicContact CE1-CG 4.47Å; F405-L418 HydrophobicContact CG-CB 4.07Å; F405-L418 HydrophobicContact CG-CD1 4.39Å; F405-L418 HydrophobicContact CZ-CD1 3.93Å; F405-L418 PolarHBondContact O-N 3.15Å; V407-L418 HydrophobicContact CB-CD1 3.94Å; V407-L418 HydrophobicContact CG1-CD1 3.83Å; V407-L418 HydrophobicContact CG1-CD2 4.1Å; V407-L418 HydrophobicContact CG1-CG 4Å
419	E	97.3	Very high	97.6	Very high	124 Å²	124	56.2 Å²	56.2	58%	0.579	28%	0.279	S	S	*	.	P	Polyproline II helix	trans	-56.6	138.4	178.5	-171.3	71.3	170.4	0	0	112	F405 F455 W462	F405-E419 WeakPolarHBondContact CB-O 3.35Å; E419-F455 HydrophobicContact CB-CE2 4.03Å; E419-W462 PolarHBondContact O-NE1 2.93Å
420	E	97.8	Very high	97.6	Very high	92 Å²	92	53.6 Å²	53.6	43%	0.43	27%	0.267	S	S	.	.	P	Polyproline II helix	trans	-77.7	149.9	-176.6	-60.4	-148.9	130.2	0	0	113.7	R403 S404 W462	R403-E420 HydrophobicContact CB-CB 3.95Å; R403-E420 HydrophobicContact CB-CG 4.47Å; S404-E420 WeakPolarHBondContact CA-OE1 3.46Å; S404-E420 VanDerWaalsContact CB-OE1 3.28Å; S404-E420 WeakPolarHBondContact CB-OE1 3.47Å; S404-E420 PolarHBondContact N-OE1 3.08Å; E420-W462 VanDerWaalsContact C-CD1 3.47Å
421	M	98.1	Very high	97.7	Very high	2 Å²	2	52.6 Å²	52.6	1%	0.01	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-64.3	152.4	168.9	-64.1	-179.9	-63.2	0	0	111.8	C393 R403 T423 R425 C439 W462	C393-M421 HydrophobicContact CB-CE 4.05Å; C393-M421 HydrophobicContact CB-SD 4.07Å; R403-M421 WeakPolarHBondContact CB-O 3.29Å; R403-M421 WeakPolarHBondContact CD-O 3.39Å; R403-M421 PolarHBondContact O-N 3.1Å; M421-T423 WeakPolarHBondContact CB-O 3.27Å; M421-R425 HydrophobicContact CE-CB 4.3Å; M421-R425 HydrophobicContact CE-CG 4.44Å; M421-C439 HydrophobicContact SD-CB 4.02Å; M421-W462 HydrophobicContact CG-CD2 3.98Å; M421-W462 HydrophobicContact CG-CE3 4.25Å; M421-W462 HydrophobicContact CG-CH2 3.81Å; M421-W462 HydrophobicContact CG-CZ2 3.5Å; M421-W462 HydrophobicContact CG-CZ3 4.17Å; M421-W462 HydrophobicContact SD-CH2 4.15Å; M421-W462 HydrophobicContact SD-CZ2 4.33Å
422	T	96.8	Very high	97.7	Very high	75 Å²	75	44.4 Å²	44.4	46%	0.46	23%	0.227	S	C	.	.	S	Bend	trans	-72.5	-30.7	176.7	69.8	0	0	0	0	112.3	R403 E453	R403-T422 PolarHBondContact NH1-O 2.89Å; R403-T422 PolarHBondContact NH2-O 3.29Å; T422-E453 WeakPolarHBondContact CA-OE2 3.43Å; T422-E453 VanDerWaalsContact CB-OE2 3.31Å; T422-E453 WeakPolarHBondContact CB-OE2 3.48Å; T422-E453 PolarHBondContact N-OE2 3.04Å; T422-E453 VanDerWaalsContact OG1-CD 3.24Å; T422-E453 PolarHBondContact OG1-OE2 3.47Å
423	T	97.4	Very high	97.5	Very high	35 Å²	35	40.6 Å²	40.6	22%	0.215	21%	0.208	C	C	.	.	S	Bend	trans	-108.8	140.4	175.3	-52.7	0	0	0	0	111.1	M421 R425 D444 L449 E453	M421-T423 WeakPolarHBondContact CB-O 3.27Å; T423-R425 HydrophobicContact CG2-CG 4.34Å; T423-D444 HydrophobicContact CG2-CB 4.4Å; T423-L449 HydrophobicContact CG2-CD1 3.75Å; T423-L449 HydrophobicContact CG2-CD2 4.41Å; T423-E453 WeakPolarHBondContact CB-OE1 3.5Å; T423-E453 PolarHBondContact N-OE1 2.74Å
424	A	98.3	Very high	97	Very high	17 Å²	17	42.4 Å²	42.4	14%	0.14	22%	0.218	C	C	.	.			trans	-76.8	136	170.3	0	0	0	0	0	110	R401 L402 R403 D444	R401-A424 HydrophobicContact CB-CB 4.02Å; R401-A424 WeakPolarHBondContact O-CB 3.39Å; L402-A424 WeakPolarHBondContact O-CA 3.3Å; R403-A424 HydrophobicContact CG-CB 3.93Å; A424-D444 VanDerWaalsContact O-CA 3.3Å; A424-D444 WeakPolarHBondContact O-CA 3.42Å; A424-D444 WeakPolarHBondContact O-CB 3.46Å
425	R	98.3	Very high	96.7	Very high	1 Å²	1	40.1 Å²	40.1	0%	0.004	21%	0.208	C	C	.	.			trans	-146	122.3	-170.5	-58	176.9	-178.3	-96.6	-1.7	112.4	G394 G395 L402 M421 T423 A428 G441 Y443 L449 S451 E453	G394-R425 CarbonylContact C-O 3.39Å; G394-R425 WeakPolarHBondContact CA-O 3.36Å; G395-R425 PolarHBondContact N-O 2.69Å; L402-R425 PolarHBondContact O-N 3.44Å; M421-R425 HydrophobicContact CE-CB 4.3Å; M421-R425 HydrophobicContact CE-CG 4.44Å; T423-R425 HydrophobicContact CG2-CG 4.34Å; R425-A428 HydrophobicContact CB-CB 4.13Å; R425-G441 PolarHBondContact NH1-O 2.78Å; R425-Y443 WeakPolarHBondContact CA-O 3.27Å; R425-L449 HydrophobicContact CG-CD1 3.82Å; R425-S451 PolarHBondContact NH1-O 3.05Å; R425-S451 PolarHBondContact NH1-OG 3.34Å; R425-S451 PolarHBondContact NH2-OG 3Å; R425-E453 IonicContact CZ-OE1 3.57Å; R425-E453 VanDerWaalsContact CZ-OE1 3.25Å; R425-E453 IonicContact NE-OE1 2.7Å; R425-E453 PolarHBondContact NE-OE1 2.8Å; R425-E453 IonicContact NH2-OE1 3.48Å; R425-E453 PolarHBondContact NH2-OE1 3.05Å
426	E	98	Very high	96.6	Very high	22 Å²	22	40.9 Å²	40.9	10%	0.103	21%	0.214	C	C	.	.	B	Isolated β-bridge	trans	-108.2	152.2	155.9	78.2	-178.3	138.9	0	0	110.8	L380 F396 R401 A428 G442 Y443 S473	L380-E426 HydrophobicContact CB-CB 4.18Å; F396-E426 HydrophobicContact CB-CB 4.22Å; F396-E426 VanDerWaalsContact CB-OE2 3.24Å; F396-E426 WeakPolarHBondContact CB-OE2 3.47Å; R401-E426 HydrophobicContact CG-CB 4.17Å; R401-E426 HydrophobicContact CG-CG 4.11Å; R401-E426 IonicContact CZ-OE1 2.72Å; R401-E426 IonicContact NE-OE1 2.67Å; R401-E426 PolarHBondContact NE-OE1 3.32Å; R401-E426 IonicContact NH2-OE1 3.37Å; R401-E426 PolarHBondContact NH2-OE1 2.97Å; E426-A428 PolarHBondContact O-N 3.15Å; E426-G442 CarbonylContact O-C 3.54Å; E426-G442 WeakPolarHBondContact O-CA 3.23Å; E426-Y443 HydrophobicContact CG-CD1 4.26Å; E426-Y443 PolarHBondContact N-O 2.84Å; E426-Y443 PolarHBondContact O-N 3.19Å; E426-Y443 WeakPolarHBondContact OE1-CD1 3.29Å; E426-S473 PolarHBondContact O-OG 2.85Å
427	G	97.6	Very high	96.5	Very high	6 Å²	6	34.4 Å²	34.4	6%	0.062	19%	0.189	C	C	.	.	S	Bend	trans	68.9	19.3	176.9	0	0	0	0	0	114.3	L380 G474	L380-G427 PolarHBondContact O-N 3.37Å; G427-G474 PolarHBondContact O-N 2.84Å
428	A	98.1	Very high	96.5	Very high	14 Å²	14	31.9 Å²	31.9	12%	0.116	18%	0.175	C	C	.	.			trans	-77.7	161.5	170.3	0	0	0	0	0	111.1	A382 R425 E426 L440	A382-A428 VanDerWaalsContact CB-O 3.3Å; A382-A428 WeakPolarHBondContact CB-O 3.44Å; R425-A428 HydrophobicContact CB-CB 4.13Å; E426-A428 PolarHBondContact O-N 3.15Å; A428-L440 VanDerWaalsContact CA-O 3.29Å; A428-L440 WeakPolarHBondContact CA-O 3.47Å; A428-L440 WeakPolarHBondContact CB-O 3.34Å
429	G	97.1	Very high	96.6	Very high	9 Å²	9	29.5 Å²	29.5	9%	0.093	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	156.5	165.8	0	0	0	0	0	112	C439 L440	G429-C439 CarbonylContact O-C 3.52Å; G429-C439 WeakPolarHBondContact O-CA 3.28Å; G429-L440 PolarHBondContact N-O 2.88Å; G429-L440 PolarHBondContact O-N 3.07Å
430	L	98	Very high	96.6	Very high	12 Å²	12	23.8 Å²	23.8	6%	0.063	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	129.2	177.3	-174.1	68.9	0	0	0	109.8	A382 C384 L437 Y438 C439	A382-L430 HydrophobicContact CB-CB 3.57Å; C384-L430 HydrophobicContact CB-CD2 4.29Å; C384-L430 HydrophobicContact CB-CG 4.26Å; C384-L430 WeakPolarHBondContact SG-CD2 3.46Å; L430-L437 HydrophobicContact CD1-CB 4.05Å; L430-L437 HydrophobicContact CD1-CD2 4.33Å; L430-L437 HydrophobicContact CD2-CD2 4.25Å; L430-L437 HydrophobicContact CG-CD2 4.45Å; L430-Y438 WeakPolarHBondContact CA-O 3.49Å; L430-C439 HydrophobicContact CD1-CB 4.05Å
431	V	97.3	Very high	96.6	Very high	11 Å²	11	19.4 Å²	19.4	7%	0.067	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	158.7	177.2	-61.9	0	0	0	0	110.3	L437 Y438 L440 C477 I484	V431-L437 CarbonylContact O-C 3.56Å; V431-L437 WeakPolarHBondContact O-CA 3.49Å; V431-Y438 PolarHBondContact N-O 2.89Å; V431-Y438 VanDerWaalsContact N-O 3.11Å; V431-Y438 PolarHBondContact O-N 2.95Å; V431-L440 HydrophobicContact CG2-CD1 4.11Å; V431-C477 HydrophobicContact CG1-CB 4.16Å; V431-I484 HydrophobicContact CG2-CB 4.4Å; V431-I484 HydrophobicContact CG2-CD1 3.64Å; V431-I484 HydrophobicContact CG2-CG1 3.79Å; V431-I484 HydrophobicContact CG2-CG2 3.77Å
432	V	95.5	Very high	96.6	Very high	25 Å²	25	19.3 Å²	19.3	15%	0.152	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	124.7	-178.3	-164.9	0	0	0	0	111	C384 N386 T436 L437 L479	C384-V432 HydrophobicContact CB-CG2 4.25Å; C384-V432 WeakPolarHBondContact SG-CG2 3.13Å; N386-V432 HydrophobicContact CB-CG1 4.14Å; N386-V432 HydrophobicContact CB-CG2 4.29Å; V432-T436 WeakPolarHBondContact CA-O 3.33Å; V432-L437 HydrophobicContact CG1-CG 4.27Å; V432-L437 HydrophobicContact CG2-CD2 3.99Å; V432-L437 HydrophobicContact CG2-CG 3.87Å; V432-L479 WeakPolarHBondContact O-CD2 3.39Å
433	V	92.6	Very high	96.7	Very high	9 Å²	9	19 Å²	19	6%	0.055	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	128.2	175.8	-160.4	0	0	0	0	108.2	D435 T436 Y438 L479 I484 T509	V433-D435 VanDerWaalsContact C-N 3.35Å; V433-D435 PolarHBondContact O-N 2.99Å; V433-T436 PolarHBondContact N-O 2.87Å; V433-T436 WeakPolarHBondContact O-CA 3.45Å; V433-T436 VanDerWaalsContact O-CB 3.27Å; V433-T436 WeakPolarHBondContact O-CB 3.36Å; V433-T436 PolarHBondContact O-N 2.98Å; V433-Y438 HydrophobicContact CB-CD2 4.46Å; V433-Y438 HydrophobicContact CB-CE2 4.05Å; V433-Y438 HydrophobicContact CG2-CD2 4.02Å; V433-Y438 HydrophobicContact CG2-CE2 4.03Å; V433-L479 HydrophobicContact CB-CD2 4.5Å; V433-L479 HydrophobicContact CG1-CD1 4.36Å; V433-L479 HydrophobicContact CG1-CD2 4.47Å; V433-L479 HydrophobicContact CG2-CD1 3.53Å; V433-L479 HydrophobicContact CG2-CD2 3.95Å; V433-L479 HydrophobicContact CG2-CG 4.36Å; V433-I484 HydrophobicContact CG2-CD1 4.03Å; V433-I484 HydrophobicContact CG2-CG1 4.02Å; V433-T509 HydrophobicContact CB-CG2 4.35Å; V433-T509 HydrophobicContact CG1-CG2 4.2Å; V433-T509 HydrophobicContact CG2-CG2 4.12Å
434	D	87.6	Confident	96.7	Very high	77 Å²	77	19.2 Å²	19.2	41%	0.412	11%	0.106	S	C	.	.	T	Hydrogen-bonded Turn	trans	43.9	54.4	-179.4	-69	11.6	0	0	0	113.3	T436	D434-T436 PolarHBondContact O-N 2.8Å; D434-T436 PolarHBondContact O-OG1 3.18Å
435	D	92.1	Very high	96.5	Very high	31 Å²	31	19.3 Å²	19.3	17%	0.166	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.5	11.7	-175.7	-71.8	-65.1	0	0	0	116.2	N386 K387 V433 L457	N386-D435 PolarHBondContact ND2-OD1 3.02Å; K387-D435 WeakPolarHBondContact CE-OD1 3.46Å; K387-D435 IonicContact NZ-OD1 3.59Å; K387-D435 PolarHBondContact NZ-OD1 2.87Å; K387-D435 IonicContact NZ-OD2 3.62Å; K387-D435 PolarHBondContact NZ-OD2 2.6Å; V433-D435 VanDerWaalsContact C-N 3.35Å; V433-D435 PolarHBondContact O-N 2.99Å; D435-L457 HydrophobicContact CB-CB 4.44Å; D435-L457 HydrophobicContact CB-CD1 4.26Å; D435-L457 WeakPolarHBondContact O-CB 3.32Å; D435-L457 WeakPolarHBondContact O-CD1 3.38Å; D435-L457 VanDerWaalsContact O-CG 3.25Å; D435-L457 WeakPolarHBondContact O-CG 3.34Å; D435-L457 PolarHBondContact O-N 3.09Å
436	T	95.6	Very high	96.3	Very high	26 Å²	26	27.5 Å²	27.5	16%	0.16	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	120.4	176.4	-52.9	0	0	0	0	109.8	V432 V433 D434 Y438 A454 F455	V432-T436 WeakPolarHBondContact CA-O 3.33Å; V433-T436 PolarHBondContact N-O 2.87Å; V433-T436 WeakPolarHBondContact O-CA 3.45Å; V433-T436 VanDerWaalsContact O-CB 3.27Å; V433-T436 WeakPolarHBondContact O-CB 3.36Å; V433-T436 PolarHBondContact O-N 2.98Å; D434-T436 PolarHBondContact O-N 2.8Å; D434-T436 PolarHBondContact O-OG1 3.18Å; T436-Y438 HydrophobicContact CG2-CD2 4.34Å; T436-Y438 HydrophobicContact CG2-CE2 3.72Å; T436-Y438 WeakPolarHBondContact O-CD2 3.37Å; T436-A454 HydrophobicContact CG2-CB 3.94Å; T436-F455 CarbonylContact C-O 3.58Å; T436-F455 VanDerWaalsContact CA-O 3.3Å; T436-F455 WeakPolarHBondContact CA-O 3.3Å
437	L	97.9	Very high	96.2	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	124.3	176.3	-59.2	95.9	0	0	0	110.5	Y391 F405 L430 V431 V432 A454 F455 L457	Y391-L437 HydrophobicContact CD1-CD2 4.14Å; Y391-L437 HydrophobicContact CD2-CD2 4.34Å; Y391-L437 HydrophobicContact CG-CD2 3.82Å; F405-L437 HydrophobicContact CE2-CD2 4.33Å; F405-L437 HydrophobicContact CZ-CD1 4.27Å; F405-L437 HydrophobicContact CZ-CD2 3.94Å; L430-L437 HydrophobicContact CD1-CB 4.05Å; L430-L437 HydrophobicContact CD1-CD2 4.33Å; L430-L437 HydrophobicContact CD2-CD2 4.25Å; L430-L437 HydrophobicContact CG-CD2 4.45Å; V431-L437 CarbonylContact O-C 3.56Å; V431-L437 WeakPolarHBondContact O-CA 3.49Å; V432-L437 HydrophobicContact CG1-CG 4.27Å; V432-L437 HydrophobicContact CG2-CD2 3.99Å; V432-L437 HydrophobicContact CG2-CG 3.87Å; L437-A454 CarbonylContact O-C 3.53Å; L437-A454 VanDerWaalsContact O-CA 3.25Å; L437-A454 WeakPolarHBondContact O-CA 3.47Å; L437-F455 HydrophobicContact CB-CB 4.34Å; L437-F455 HydrophobicContact CD1-CB 4.4Å; L437-F455 HydrophobicContact CD1-CD1 3.92Å; L437-F455 PolarHBondContact N-O 3.07Å; L437-F455 PolarHBondContact O-N 3.25Å; L437-L457 HydrophobicContact CD1-CD1 3.95Å; L437-L457 HydrophobicContact CD1-CD2 3.79Å; L437-L457 HydrophobicContact CD1-CG 3.64Å
438	Y	98.1	Very high	96.2	Very high	31 Å²	31	33.5 Å²	33.5	12%	0.122	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	118.2	175.6	-66.8	-94	0	0	0	110	L430 V431 V433 T436 L440 M452 E453 A454 I484 Y507 T509	L430-Y438 WeakPolarHBondContact CA-O 3.49Å; V431-Y438 PolarHBondContact N-O 2.89Å; V431-Y438 VanDerWaalsContact N-O 3.11Å; V431-Y438 PolarHBondContact O-N 2.95Å; V433-Y438 HydrophobicContact CB-CD2 4.46Å; V433-Y438 HydrophobicContact CB-CE2 4.05Å; V433-Y438 HydrophobicContact CG2-CD2 4.02Å; V433-Y438 HydrophobicContact CG2-CE2 4.03Å; T436-Y438 HydrophobicContact CG2-CD2 4.34Å; T436-Y438 HydrophobicContact CG2-CE2 3.72Å; T436-Y438 WeakPolarHBondContact O-CD2 3.37Å; Y438-L440 WeakPolarHBondContact O-CD1 3.44Å; Y438-M452 HydrophobicContact CD1-CE 4.16Å; Y438-M452 HydrophobicContact CD1-CG 4.24Å; Y438-M452 HydrophobicContact CD1-SD 3.8Å; Y438-M452 HydrophobicContact CG-SD 4.44Å; Y438-E453 CarbonylContact C-O 3.19Å; Y438-E453 WeakPolarHBondContact CA-O 3.45Å; Y438-A454 HydrophobicContact CD1-CB 3.69Å; Y438-A454 HydrophobicContact CE1-CB 3.6Å; Y438-A454 HydrophobicContact CG-CB 4.41Å; Y438-I484 HydrophobicContact CD1-CD1 4.33Å; Y438-I484 HydrophobicContact CD2-CD1 3.86Å; Y438-I484 HydrophobicContact CE2-CD1 4.5Å; Y438-I484 HydrophobicContact CG-CD1 3.76Å; Y438-Y507 HydrophobicContact CE1-CE1 4.49Å; Y438-T509 HydrophobicContact CE2-CG2 4.47Å
439	C	98.3	Very high	96.2	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	124.5	171.9	-176.3	0	0	0	0	109.6	M421 G429 L430 M452 E453 W462	M421-C439 HydrophobicContact SD-CB 4.02Å; G429-C439 CarbonylContact O-C 3.52Å; G429-C439 WeakPolarHBondContact O-CA 3.28Å; L430-C439 HydrophobicContact CD1-CB 4.05Å; C439-M452 WeakPolarHBondContact O-CA 3.19Å; C439-E453 PolarHBondContact N-O 2.93Å; C439-E453 PolarHBondContact O-N 3.21Å; C439-W462 HydrophobicContact CB-CH2 4.12Å; C439-W462 HydrophobicContact CB-CZ3 3.93Å
440	L	97.8	Very high	96.2	Very high	4 Å²	4	35.7 Å²	35.7	2%	0.021	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	127.2	-166.5	-52.5	100.4	0	0	0	112.5	A428 G429 V431 Y438 M452 I484 V486 W514	A428-L440 VanDerWaalsContact CA-O 3.29Å; A428-L440 WeakPolarHBondContact CA-O 3.47Å; A428-L440 WeakPolarHBondContact CB-O 3.34Å; G429-L440 PolarHBondContact N-O 2.88Å; G429-L440 PolarHBondContact O-N 3.07Å; V431-L440 HydrophobicContact CG2-CD1 4.11Å; Y438-L440 WeakPolarHBondContact O-CD1 3.44Å; L440-M452 HydrophobicContact CD2-CG 4.25Å; L440-M452 HydrophobicContact CD2-SD 3.4Å; L440-M452 WeakPolarHBondContact CD2-SD 3.31Å; L440-M452 HydrophobicContact CG-CG 4.05Å; L440-M452 HydrophobicContact CG-SD 3.81Å; L440-I484 HydrophobicContact CD1-CG2 4.37Å; L440-I484 HydrophobicContact CD2-CG2 3.98Å; L440-V486 HydrophobicContact CD2-CG2 3.87Å; L440-W514 HydrophobicContact CD2-CH2 3.61Å; L440-W514 HydrophobicContact CD2-CZ2 3.94Å
441	G	98	Very high	96.2	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.185	C	C	.	.			trans	64.8	-139.4	170.6	0	0	0	0	0	113.7	R425 L449 S451	R425-G441 PolarHBondContact NH1-O 2.78Å; G441-L449 WeakPolarHBondContact CA-O 3.42Å; G441-S451 PolarHBondContact N-O 3.02Å; G441-S451 VanDerWaalsContact N-O 3.07Å
442	G	98.1	Very high	96.2	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.182	C	C	.	.			trans	91.8	-157.7	-173.9	0	0	0	0	0	113.7	E426 L449 R472	E426-G442 CarbonylContact O-C 3.54Å; E426-G442 WeakPolarHBondContact O-CA 3.23Å; G442-L449 WeakPolarHBondContact O-CB 3.35Å; G442-L449 PolarHBondContact O-N 3.06Å; G442-R472 PolarHBondContact N-O 3.35Å
443	Y	98.1	Very high	96.4	Very high	70 Å²	70	34.9 Å²	34.9	28%	0.275	18%	0.175	S	C	.	.	B	Isolated β-bridge	trans	-140.1	133.1	-176.9	178.5	-114.3	0	0	0	109.9	R425 E426 G445 H447 L448	R425-Y443 WeakPolarHBondContact CA-O 3.27Å; E426-Y443 HydrophobicContact CG-CD1 4.26Å; E426-Y443 PolarHBondContact N-O 2.84Å; E426-Y443 PolarHBondContact O-N 3.19Å; E426-Y443 WeakPolarHBondContact OE1-CD1 3.29Å; Y443-G445 VanDerWaalsContact CE1-CA 3.41Å; Y443-G445 VanDerWaalsContact OH-C 3.25Å; Y443-G445 PolarHBondContact OH-O 2.86Å; Y443-H447 WeakPolarHBondContact CA-O 3.37Å; Y443-H447 VanDerWaalsContact CD2-C 3.48Å; Y443-H447 VanDerWaalsContact CD2-O 3.24Å; Y443-H447 WeakPolarHBondContact CD2-O 3.37Å; Y443-L448 HydrophobicContact CD2-CD2 3.95Å; Y443-L448 HydrophobicContact CD2-CG 4.34Å; Y443-L448 HydrophobicContact CG-CD2 4.49Å
444	D	97.6	Very high	96.6	Very high	39 Å²	39	34.5 Å²	34.5	21%	0.209	17%	0.173	C	C	.	.			trans	-91.4	-7.8	-177.4	67.2	4.8	0	0	0	114.1	T423 A424 F446 H447 L449	T423-D444 HydrophobicContact CG2-CB 4.4Å; A424-D444 VanDerWaalsContact O-CA 3.3Å; A424-D444 WeakPolarHBondContact O-CA 3.42Å; A424-D444 WeakPolarHBondContact O-CB 3.46Å; D444-F446 WeakPolarHBondContact OD1-CA 3.25Å; D444-F446 PolarHBondContact OD1-N 2.75Å; D444-H447 PolarHBondContact N-O 2.86Å; D444-H447 PolarHBondContact OD1-N 2.9Å; D444-H447 IonicContact OD1-ND1 2.8Å; D444-H447 IonicContact OD2-CG 3.68Å; D444-H447 IonicContact OD2-ND1 2.67Å; D444-H447 PolarHBondContact OD2-ND1 3.03Å; D444-H447 VanDerWaalsContact OD2-ND1 3.13Å; D444-L449 HydrophobicContact CB-CD1 4.36Å; D444-L449 HydrophobicContact CB-CD2 4.4Å
445	G	95.1	Very high	97.1	Very high	18 Å²	18	31.2 Å²	31.2	19%	0.186	16%	0.155	C	C	.	.	S	Bend	trans	110.9	-12.9	-169.4	0	0	0	0	0	114.4	Y443	Y443-G445 VanDerWaalsContact CE1-CA 3.41Å; Y443-G445 VanDerWaalsContact OH-C 3.25Å; Y443-G445 PolarHBondContact OH-O 2.86Å
446	F	94.5	Very high	97.3	Very high	173 Å²	173	32 Å²	32	76%	0.759	16%	0.159	S	C	*	.	S	Bend	trans	-136	-38.7	-177.8	-55.9	-85.5	0	0	0	112.8	D444	D444-F446 WeakPolarHBondContact OD1-CA 3.25Å; D444-F446 PolarHBondContact OD1-N 2.75Å
447	H	95.5	Very high	97.3	Very high	119 Å²	119	33 Å²	33	55%	0.551	16%	0.164	S	C	*	.			trans	-127.7	137.1	-173.2	-46.8	100.4	0	0	0	111.6	Y443 D444 L449	Y443-H447 WeakPolarHBondContact CA-O 3.37Å; Y443-H447 VanDerWaalsContact CD2-C 3.48Å; Y443-H447 VanDerWaalsContact CD2-O 3.24Å; Y443-H447 WeakPolarHBondContact CD2-O 3.37Å; D444-H447 PolarHBondContact N-O 2.86Å; D444-H447 PolarHBondContact OD1-N 2.9Å; D444-H447 IonicContact OD1-ND1 2.8Å; D444-H447 IonicContact OD2-CG 3.68Å; D444-H447 IonicContact OD2-ND1 2.67Å; D444-H447 PolarHBondContact OD2-ND1 3.03Å; D444-H447 VanDerWaalsContact OD2-ND1 3.13Å; H447-L449 HydrophobicContact CB-CD2 4.43Å
448	L	97.4	Very high	97.1	Very high	35 Å²	35	39.8 Å²	39.8	18%	0.183	20%	0.195	C	C	.	.	B	Isolated β-bridge	trans	-71.7	132.3	161.7	-65	169.4	0	0	0	108.6	Y443 R471 Y490 P498	Y443-L448 HydrophobicContact CD2-CD2 3.95Å; Y443-L448 HydrophobicContact CD2-CG 4.34Å; Y443-L448 HydrophobicContact CG-CD2 4.49Å; L448-R471 HydrophobicContact CB-CB 3.96Å; L448-R471 WeakPolarHBondContact O-CB 3.39Å; L448-R471 WeakPolarHBondContact O-CD 3.49Å; L448-R471 VanDerWaalsContact O-CG 3.3Å; L448-R471 WeakPolarHBondContact O-CG 3.38Å; L448-Y490 HydrophobicContact CD1-CD1 3.9Å; L448-Y490 HydrophobicContact CD1-CE1 4.11Å; L448-Y490 HydrophobicContact CD2-CD1 4.43Å; L448-P498 HydrophobicContact CD1-CB 3.78Å
449	L	98	Very high	96.9	Very high	14 Å²	14	42.4 Å²	42.4	7%	0.073	22%	0.217	C	C	.	.			trans	-99.5	143.8	-169.6	-56.3	175.3	0	0	0	111.7	T423 R425 G441 G442 D444 H447 R471 R472	T423-L449 HydrophobicContact CG2-CD1 3.75Å; T423-L449 HydrophobicContact CG2-CD2 4.41Å; R425-L449 HydrophobicContact CG-CD1 3.82Å; G441-L449 WeakPolarHBondContact CA-O 3.42Å; G442-L449 WeakPolarHBondContact O-CB 3.35Å; G442-L449 PolarHBondContact O-N 3.06Å; D444-L449 HydrophobicContact CB-CD1 4.36Å; D444-L449 HydrophobicContact CB-CD2 4.4Å; H447-L449 HydrophobicContact CB-CD2 4.43Å; L449-R471 WeakPolarHBondContact O-CA 3.23Å; L449-R472 PolarHBondContact O-N 3.42Å
450	N	97.4	Very high	96.8	Very high	55 Å²	55	43.9 Å²	43.9	29%	0.294	23%	0.233	S	C	.	.			trans	-113.2	-5	163.1	67.9	-28	0	0	0	112.6	P467 M468 M470 R471	N450-P467 HydrophobicContact CB-CB 4.49Å; N450-P467 CarbonylContact O-C 3.59Å; N450-P467 VanDerWaalsContact O-CA 3.24Å; N450-P467 WeakPolarHBondContact O-CA 3.37Å; N450-P467 VanDerWaalsContact O-CB 3.27Å; N450-P467 WeakPolarHBondContact O-CB 3.28Å; N450-M468 HydrophobicContact CB-CB 4.16Å; N450-M468 WeakPolarHBondContact CB-O 3.44Å; N450-M468 PolarHBondContact ND2-O 2.9Å; N450-M468 PolarHBondContact O-N 2.77Å; N450-M470 VanDerWaalsContact CB-O 3.3Å; N450-M470 WeakPolarHBondContact CB-O 3.41Å; N450-R471 HydrophobicContact CB-CG 3.91Å
451	S	98	Very high	96.7	Very high	30 Å²	30	47.3 Å²	47.3	21%	0.21	25%	0.253	C	S	.	.			trans	-68.9	148.4	178.8	57.8	0	0	0	0	111.8	R425 G441	R425-S451 PolarHBondContact NH1-O 3.05Å; R425-S451 PolarHBondContact NH1-OG 3.34Å; R425-S451 PolarHBondContact NH2-OG 3Å; G441-S451 PolarHBondContact N-O 3.02Å; G441-S451 VanDerWaalsContact N-O 3.07Å
452	M	98.1	Very high	96.7	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	138.1	177	176.6	167.2	68.8	0	0	108.9	Y438 C439 L440 C465 Y507 W514	Y438-M452 HydrophobicContact CD1-CE 4.16Å; Y438-M452 HydrophobicContact CD1-CG 4.24Å; Y438-M452 HydrophobicContact CD1-SD 3.8Å; Y438-M452 HydrophobicContact CG-SD 4.44Å; C439-M452 WeakPolarHBondContact O-CA 3.19Å; L440-M452 HydrophobicContact CD2-CG 4.25Å; L440-M452 HydrophobicContact CD2-SD 3.4Å; L440-M452 WeakPolarHBondContact CD2-SD 3.31Å; L440-M452 HydrophobicContact CG-CG 4.05Å; L440-M452 HydrophobicContact CG-SD 3.81Å; M452-C465 HydrophobicContact CB-CB 4.14Å; M452-C465 HydrophobicContact CE-CB 3.6Å; M452-C465 HydrophobicContact CG-CB 3.98Å; M452-C465 PolarHBondContact O-N 2.91Å; M452-Y507 HydrophobicContact CE-CD1 3.91Å; M452-Y507 HydrophobicContact CE-CD2 4.11Å; M452-Y507 HydrophobicContact CE-CE1 3.61Å; M452-Y507 HydrophobicContact CE-CE2 3.84Å; M452-Y507 HydrophobicContact CE-CG 4.14Å; M452-W514 HydrophobicContact CE-CZ2 4.03Å; M452-W514 HydrophobicContact SD-CZ2 3.93Å
453	E	98.1	Very high	96.6	Very high	1 Å²	1	51.7 Å²	51.7	1%	0.005	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	143.3	175.7	-68.8	174.8	-103.4	0	0	109.4	T422 T423 R425 Y438 C439 W462 S463	T422-E453 WeakPolarHBondContact CA-OE2 3.43Å; T422-E453 VanDerWaalsContact CB-OE2 3.31Å; T422-E453 WeakPolarHBondContact CB-OE2 3.48Å; T422-E453 PolarHBondContact N-OE2 3.04Å; T422-E453 VanDerWaalsContact OG1-CD 3.24Å; T422-E453 PolarHBondContact OG1-OE2 3.47Å; T423-E453 WeakPolarHBondContact CB-OE1 3.5Å; T423-E453 PolarHBondContact N-OE1 2.74Å; R425-E453 IonicContact CZ-OE1 3.57Å; R425-E453 VanDerWaalsContact CZ-OE1 3.25Å; R425-E453 IonicContact NE-OE1 2.7Å; R425-E453 PolarHBondContact NE-OE1 2.8Å; R425-E453 IonicContact NH2-OE1 3.48Å; R425-E453 PolarHBondContact NH2-OE1 3.05Å; Y438-E453 CarbonylContact C-O 3.19Å; Y438-E453 WeakPolarHBondContact CA-O 3.45Å; C439-E453 PolarHBondContact N-O 2.93Å; C439-E453 PolarHBondContact O-N 3.21Å; E453-W462 HydrophobicContact CB-CE3 3.79Å; E453-W462 HydrophobicContact CB-CZ3 4.18Å; E453-S463 CarbonylContact C-O 3.32Å; E453-S463 WeakPolarHBondContact CA-O 3.3Å
454	A	97.6	Very high	96.5	Very high	2 Å²	2	53.6 Å²	53.6	2%	0.017	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	124.8	-176	0	0	0	0	0	111.4	T436 L437 Y438 W462 S463 C465	T436-A454 HydrophobicContact CG2-CB 3.94Å; L437-A454 CarbonylContact O-C 3.53Å; L437-A454 VanDerWaalsContact O-CA 3.25Å; L437-A454 WeakPolarHBondContact O-CA 3.47Å; Y438-A454 HydrophobicContact CD1-CB 3.69Å; Y438-A454 HydrophobicContact CE1-CB 3.6Å; Y438-A454 HydrophobicContact CG-CB 4.41Å; A454-W462 CarbonylContact O-C 3.53Å; A454-W462 WeakPolarHBondContact O-CA 3.35Å; A454-S463 PolarHBondContact N-O 2.86Å; A454-S463 PolarHBondContact O-N 2.81Å; A454-S463 PolarHBondContact O-OG 3.01Å; A454-C465 VanDerWaalsContact CB-SG 3.52Å
455	F	98.2	Very high	96.4	Very high	7 Å²	7	52.9 Å²	52.9	3%	0.031	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	117	177.6	-171.2	-96.8	0	0	0	110.8	F405 E419 T436 L437 L457 G460 W462	F405-F455 HydrophobicContact CD1-CD2 4.48Å; F405-F455 HydrophobicContact CD1-CE2 4.44Å; F405-F455 AromaticContact CE1-CD1 3.74Å; F405-F455 HydrophobicContact CE1-CD1 3.74Å; F405-F455 HydrophobicContact CE1-CD2 4.17Å; F405-F455 AromaticContact CE1-CE1 3.84Å; F405-F455 HydrophobicContact CE1-CE1 3.84Å; F405-F455 HydrophobicContact CE1-CE2 4.27Å; F405-F455 AromaticContact CE1-CG 3.88Å; F405-F455 HydrophobicContact CE1-CG 3.88Å; F405-F455 HydrophobicContact CE1-CZ 4.09Å; F405-F455 HydrophobicContact CZ-CD1 4.41Å; E419-F455 HydrophobicContact CB-CE2 4.03Å; T436-F455 CarbonylContact C-O 3.58Å; T436-F455 VanDerWaalsContact CA-O 3.3Å; T436-F455 WeakPolarHBondContact CA-O 3.3Å; L437-F455 HydrophobicContact CB-CB 4.34Å; L437-F455 HydrophobicContact CD1-CB 4.4Å; L437-F455 HydrophobicContact CD1-CD1 3.92Å; L437-F455 PolarHBondContact N-O 3.07Å; L437-F455 PolarHBondContact O-N 3.25Å; F455-L457 HydrophobicContact CD1-CD2 4.21Å; F455-L457 HydrophobicContact CE1-CD2 4.03Å; F455-G460 VanDerWaalsContact CE2-O 3.28Å; F455-G460 WeakPolarHBondContact CE2-O 3.45Å; F455-W462 HydrophobicContact CB-CD2 3.81Å; F455-W462 HydrophobicContact CB-CE3 3.71Å; F455-W462 HydrophobicContact CB-CH2 3.92Å; F455-W462 HydrophobicContact CB-CZ2 3.99Å; F455-W462 HydrophobicContact CB-CZ3 3.77Å; F455-W462 AromaticContact CD2-CD1 3.64Å; F455-W462 AromaticContact CD2-CD2 3.81Å; F455-W462 HydrophobicContact CD2-CD2 3.81Å; F455-W462 AromaticContact CD2-CE2 3.64Å; F455-W462 AromaticContact CD2-CG 3.82Å; F455-W462 HydrophobicContact CD2-CG 3.82Å; F455-W462 HydrophobicContact CD2-CZ2 4.27Å; F455-W462 AromaticContact CD2-NE1 3.52Å; F455-W462 HydrophobicContact CG-CD2 4.29Å; F455-W462 HydrophobicContact CG-CZ2 4.36Å
456	D	95.8	Very high	96.5	Very high	47 Å²	47	56.6 Å²	56.6	25%	0.251	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	117.9	172.2	178.2	-1	0	0	0	109.8	H458 C459 G460 T461	D456-H458 PolarHBondContact O-N 2.86Å; D456-H458 WeakPolarHBondContact OD1-CB 3.42Å; D456-H458 IonicContact OD1-CG 2.7Å; D456-H458 PolarHBondContact OD1-N 2.92Å; D456-H458 IonicContact OD1-ND1 3.52Å; D456-H458 PolarHBondContact OD1-ND1 3.46Å; D456-C459 HydrophobicContact CB-CB 4.22Å; D456-C459 PolarHBondContact O-N 3.11Å; D456-C459 PolarHBondContact OD2-SG 2.83Å; D456-G460 PolarHBondContact O-N 2.77Å; D456-T461 PolarHBondContact N-O 3.47Å
457	L	95.4	Very high	96.6	Very high	48 Å²	48	51.4 Å²	51.4	25%	0.251	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-18.9	178.4	-74.4	169.4	0	0	0	114.1	N386 Y391 D435 L437 F455	N386-L457 WeakPolarHBondContact ND2-CD1 3.3Å; Y391-L457 HydrophobicContact CE1-CD2 3.68Å; Y391-L457 WeakPolarHBondContact OH-CD2 3.46Å; D435-L457 HydrophobicContact CB-CB 4.44Å; D435-L457 HydrophobicContact CB-CD1 4.26Å; D435-L457 WeakPolarHBondContact O-CB 3.32Å; D435-L457 WeakPolarHBondContact O-CD1 3.38Å; D435-L457 VanDerWaalsContact O-CG 3.25Å; D435-L457 WeakPolarHBondContact O-CG 3.34Å; D435-L457 PolarHBondContact O-N 3.09Å; L437-L457 HydrophobicContact CD1-CD1 3.95Å; L437-L457 HydrophobicContact CD1-CD2 3.79Å; L437-L457 HydrophobicContact CD1-CG 3.64Å; F455-L457 HydrophobicContact CD1-CD2 4.21Å; F455-L457 HydrophobicContact CE1-CD2 4.03Å
458	H	94	Very high	96.7	Very high	142 Å²	142	45.9 Å²	45.9	66%	0.657	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-39.4	177.1	-53	89.9	0	0	0	112.3	D456	D456-H458 PolarHBondContact O-N 2.86Å; D456-H458 WeakPolarHBondContact OD1-CB 3.42Å; D456-H458 IonicContact OD1-CG 2.7Å; D456-H458 PolarHBondContact OD1-N 2.92Å; D456-H458 IonicContact OD1-ND1 3.52Å; D456-H458 PolarHBondContact OD1-ND1 3.46Å
459	C	93.7	Very high	96.6	Very high	86 Å²	86	50.3 Å²	50.3	58%	0.581	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	-25.6	180	-64.1	0	0	0	0	112.8	D456	D456-C459 HydrophobicContact CB-CB 4.22Å; D456-C459 PolarHBondContact O-N 3.11Å; D456-C459 PolarHBondContact OD2-SG 2.83Å
460	G	95.5	Very high	96.5	Very high	32 Å²	32	51.3 Å²	51.3	33%	0.33	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.1	23.8	-177.7	0	0	0	0	0	114	F455 D456	F455-G460 VanDerWaalsContact CE2-O 3.28Å; F455-G460 WeakPolarHBondContact CE2-O 3.45Å; D456-G460 PolarHBondContact O-N 2.77Å
461	T	96.2	Very high	96.5	Very high	75 Å²	75	52.1 Å²	52.1	46%	0.46	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	141.2	-169.6	55	0	0	0	0	113.2	D456	D456-T461 PolarHBondContact N-O 3.47Å
462	W	97.9	Very high	96.5	Very high	30 Å²	30	50.8 Å²	50.8	11%	0.114	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	148.4	169.7	-68.4	97.1	0	0	0	112.7	F405 E419 E420 M421 C439 E453 A454 F455	F405-W462 HydrophobicContact CB-CZ2 4.39Å; F405-W462 AromaticContact CD1-CZ2 3.67Å; F405-W462 HydrophobicContact CD1-CZ2 3.67Å; F405-W462 HydrophobicContact CD2-CZ2 4.37Å; F405-W462 AromaticContact CE1-CZ2 3.93Å; F405-W462 HydrophobicContact CE1-CZ2 3.93Å; F405-W462 AromaticContact CG-CZ2 3.92Å; F405-W462 HydrophobicContact CG-CZ2 3.92Å; F405-W462 HydrophobicContact CZ-CZ2 4.39Å; E419-W462 PolarHBondContact O-NE1 2.93Å; E420-W462 VanDerWaalsContact C-CD1 3.47Å; M421-W462 HydrophobicContact CG-CD2 3.98Å; M421-W462 HydrophobicContact CG-CE3 4.25Å; M421-W462 HydrophobicContact CG-CH2 3.81Å; M421-W462 HydrophobicContact CG-CZ2 3.5Å; M421-W462 HydrophobicContact CG-CZ3 4.17Å; M421-W462 HydrophobicContact SD-CH2 4.15Å; M421-W462 HydrophobicContact SD-CZ2 4.33Å; C439-W462 HydrophobicContact CB-CH2 4.12Å; C439-W462 HydrophobicContact CB-CZ3 3.93Å; E453-W462 HydrophobicContact CB-CE3 3.79Å; E453-W462 HydrophobicContact CB-CZ3 4.18Å; A454-W462 CarbonylContact O-C 3.53Å; A454-W462 WeakPolarHBondContact O-CA 3.35Å; F455-W462 HydrophobicContact CB-CD2 3.81Å; F455-W462 HydrophobicContact CB-CE3 3.71Å; F455-W462 HydrophobicContact CB-CH2 3.92Å; F455-W462 HydrophobicContact CB-CZ2 3.99Å; F455-W462 HydrophobicContact CB-CZ3 3.77Å; F455-W462 AromaticContact CD2-CD1 3.64Å; F455-W462 AromaticContact CD2-CD2 3.81Å; F455-W462 HydrophobicContact CD2-CD2 3.81Å; F455-W462 AromaticContact CD2-CE2 3.64Å; F455-W462 AromaticContact CD2-CG 3.82Å; F455-W462 HydrophobicContact CD2-CG 3.82Å; F455-W462 HydrophobicContact CD2-CZ2 4.27Å; F455-W462 AromaticContact CD2-NE1 3.52Å; F455-W462 HydrophobicContact CG-CD2 4.29Å; F455-W462 HydrophobicContact CG-CZ2 4.36Å
463	S	96.8	Very high	96.5	Very high	63 Å²	63	51.1 Å²	51.1	44%	0.441	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	143.6	177	63.1	0	0	0	0	111.1	E453 A454	E453-S463 CarbonylContact C-O 3.32Å; E453-S463 WeakPolarHBondContact CA-O 3.3Å; A454-S463 PolarHBondContact N-O 2.86Å; A454-S463 PolarHBondContact O-N 2.81Å; A454-S463 PolarHBondContact O-OG 3.01Å
464	V	96.3	Very high	96.5	Very high	109 Å²	109	51.5 Å²	51.5	66%	0.661	28%	0.281	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.2	127.9	179.9	-178.6	0	0	0	0	110.2
465	C	95.8	Very high	96.5	Very high	25 Å²	25	52 Å²	52	17%	0.169	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	169.9	-179.1	-79.1	0	0	0	0	112.3	M452 A454	M452-C465 HydrophobicContact CB-CB 4.14Å; M452-C465 HydrophobicContact CE-CB 3.6Å; M452-C465 HydrophobicContact CG-CB 3.98Å; M452-C465 PolarHBondContact O-N 2.91Å; A454-C465 VanDerWaalsContact CB-SG 3.52Å
466	K	96.1	Very high	96.5	Very high	96 Å²	96	51.8 Å²	51.8	42%	0.417	29%	0.285	S	S	.	.	P	Polyproline II helix	trans	-61.4	125.7	179.4	-172.8	179.7	-176.6	168.4	0	110.8	Y507 A512 W514	K466-Y507 HydrophobicContact CB-CE2 4.45Å; K466-A512 WeakPolarHBondContact CD-O 3.48Å; K466-A512 PolarHBondContact NZ-O 3.4Å; K466-W514 PolarHBondContact O-NE1 2.8Å
467	P	97	Very high	96.6	Very high	63 Å²	63	50.4 Å²	50.4	41%	0.409	28%	0.279	S	S	.	.	P	Polyproline II helix	trans	-73.1	157.7	-176.1	31	-36.9	0	0	0	112.8	N450 W514	N450-P467 HydrophobicContact CB-CB 4.49Å; N450-P467 CarbonylContact O-C 3.59Å; N450-P467 VanDerWaalsContact O-CA 3.24Å; N450-P467 WeakPolarHBondContact O-CA 3.37Å; N450-P467 VanDerWaalsContact O-CB 3.27Å; N450-P467 WeakPolarHBondContact O-CB 3.28Å; P467-W514 PolarHBondContact O-NE1 2.82Å
468	M	97.9	Very high	96.6	Very high	4 Å²	4	48.3 Å²	48.3	2%	0.02	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-63.3	157.6	169	-67.9	178.4	-67.8	0	0	111.6	N450 M470 R472 V486 W514	N450-M468 HydrophobicContact CB-CB 4.16Å; N450-M468 WeakPolarHBondContact CB-O 3.44Å; N450-M468 PolarHBondContact ND2-O 2.9Å; N450-M468 PolarHBondContact O-N 2.77Å; M468-M470 VanDerWaalsContact C-N 3.32Å; M468-M470 WeakPolarHBondContact CB-O 3.19Å; M468-R472 HydrophobicContact CE-CB 4.32Å; M468-V486 HydrophobicContact SD-CB 4.16Å; M468-V486 HydrophobicContact SD-CG1 3.88Å; M468-V486 HydrophobicContact SD-CG2 3.97Å; M468-W514 HydrophobicContact CG-CD2 4.06Å; M468-W514 HydrophobicContact CG-CE3 4.14Å; M468-W514 HydrophobicContact CG-CH2 3.43Å; M468-W514 VanDerWaalsContact CG-CH2 3.43Å; M468-W514 HydrophobicContact CG-CZ2 3.32Å; M468-W514 HydrophobicContact CG-CZ3 3.84Å; M468-W514 HydrophobicContact SD-CH2 3.93Å; M468-W514 HydrophobicContact SD-CZ2 4.3Å; M468-W514 HydrophobicContact SD-CZ3 4.36Å
469	Y	95.6	Very high	96.7	Very high	127 Å²	127	43.7 Å²	43.7	50%	0.498	25%	0.248	S	C	.	.	S	Bend	trans	-71	-28.5	172.6	-57.9	-64.6	0	0	0	112.3	E505 W514	Y469-E505 WeakPolarHBondContact CB-OE2 3.21Å; Y469-E505 WeakPolarHBondContact CD2-OE2 3.3Å; Y469-E505 PolarHBondContact N-OE2 2.89Å; Y469-W514 HydrophobicContact CD2-CB 4Å; Y469-W514 HydrophobicContact CE2-CB 3.41Å; Y469-W514 VanDerWaalsContact CE2-CB 3.41Å; Y469-W514 WeakPolarHBondContact CE2-O 3.16Å; Y469-W514 PolarHBondContact OH-O 2.79Å
470	M	95.6	Very high	96.5	Very high	35 Å²	35	40.6 Å²	40.6	17%	0.172	23%	0.225	C	C	.	.	S	Bend	trans	-114.5	146.3	175.3	-53.5	-158.7	-166.5	0	0	112.2	N450 M468 R472 L501 T503 E505	N450-M470 VanDerWaalsContact CB-O 3.3Å; N450-M470 WeakPolarHBondContact CB-O 3.41Å; M468-M470 VanDerWaalsContact C-N 3.32Å; M468-M470 WeakPolarHBondContact CB-O 3.19Å; M470-R472 HydrophobicContact CB-CG 4.32Å; M470-L501 HydrophobicContact SD-CD1 4.37Å; M470-L501 HydrophobicContact SD-CD2 4.37Å; M470-T503 HydrophobicContact CE-CG2 4Å; M470-E505 WeakPolarHBondContact CB-OE1 3.48Å; M470-E505 WeakPolarHBondContact CG-OE1 3.28Å; M470-E505 PolarHBondContact N-OE1 2.89Å
471	R	97.8	Very high	95.9	Very high	72 Å²	72	41.1 Å²	41.1	27%	0.272	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	133.5	166.8	-65.6	168.1	-67.9	-161.6	9.3	108.5	L448 L449 N450 G491 G492 A493	L448-R471 HydrophobicContact CB-CB 3.96Å; L448-R471 WeakPolarHBondContact O-CB 3.39Å; L448-R471 WeakPolarHBondContact O-CD 3.49Å; L448-R471 VanDerWaalsContact O-CG 3.3Å; L448-R471 WeakPolarHBondContact O-CG 3.38Å; L449-R471 WeakPolarHBondContact O-CA 3.23Å; N450-R471 HydrophobicContact CB-CG 3.91Å; R471-G491 CarbonylContact O-C 3.49Å; R471-G491 VanDerWaalsContact O-CA 3.32Å; R471-G491 WeakPolarHBondContact O-CA 3.49Å; R471-G492 PolarHBondContact N-O 3.08Å; R471-G492 PolarHBondContact O-N 3.11Å; R471-A493 PolarHBondContact NH2-O 3.13Å; R471-A493 VanDerWaalsContact NH2-O 3.13Å
472	R	98.1	Very high	95.3	Very high	3 Å²	3	38.3 Å²	38.3	1%	0.011	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	124.4	-171.7	-62	-179.5	-176.4	-96	-3.1	110.6	G442 L449 M468 M470 A475 G488 L501 T503 E505	G442-R472 PolarHBondContact N-O 3.35Å; L449-R472 PolarHBondContact O-N 3.42Å; M468-R472 HydrophobicContact CE-CB 4.32Å; M470-R472 HydrophobicContact CB-CG 4.32Å; R472-A475 HydrophobicContact CB-CB 4.07Å; R472-G488 PolarHBondContact NH1-O 3.44Å; R472-L501 HydrophobicContact CG-CD1 4.01Å; R472-T503 PolarHBondContact NH1-O 2.94Å; R472-T503 PolarHBondContact NH1-OG1 3.37Å; R472-T503 PolarHBondContact NH2-OG1 2.78Å; R472-E505 IonicContact CZ-OE1 3.93Å; R472-E505 VanDerWaalsContact CZ-OE1 3.26Å; R472-E505 IonicContact NE-OE1 3.8Å; R472-E505 PolarHBondContact NE-OE1 2.84Å; R472-E505 IonicContact NH2-OE1 3.38Å; R472-E505 PolarHBondContact NH2-OE1 3Å
473	S	97.9	Very high	95.1	Very high	7 Å²	7	37.5 Å²	37.5	5%	0.049	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	146.9	163	-171.3	0	0	0	0	110.3	E426 A475 G489 Y490	E426-S473 PolarHBondContact O-OG 2.85Å; S473-A475 VanDerWaalsContact C-N 3.3Å; S473-A475 PolarHBondContact O-N 2.83Å; S473-G489 CarbonylContact O-C 3.53Å; S473-G489 WeakPolarHBondContact O-CA 3.37Å; S473-Y490 PolarHBondContact N-O 3.05Å; S473-Y490 PolarHBondContact O-N 2.88Å
474	G	97.4	Very high	95.1	Very high	8 Å²	8	34.5 Å²	34.5	8%	0.082	19%	0.191	C	C	.	.	S	Bend	trans	64.4	32.8	-174.2	0	0	0	0	0	113.2	G427 G489 Y526	G427-G474 PolarHBondContact O-N 2.84Å; G474-G489 WeakPolarHBondContact O-CA 3.42Å; G474-Y526 WeakPolarHBondContact O-CA 3.1Å; G474-Y526 PolarHBondContact O-N 2.65Å
475	A	98	Very high	95.2	Very high	12 Å²	12	29.9 Å²	29.9	10%	0.099	16%	0.161	C	C	.	.			trans	-93.4	137.1	176.1	0	0	0	0	0	110.9	R472 S473 C477 V486 G488	R472-A475 HydrophobicContact CB-CB 4.07Å; S473-A475 VanDerWaalsContact C-N 3.3Å; S473-A475 PolarHBondContact O-N 2.83Å; A475-C477 PolarHBondContact O-N 2.87Å; A475-V486 HydrophobicContact CB-CG1 3.77Å; A475-G488 WeakPolarHBondContact CB-O 3.41Å
476	G	97.5	Very high	95.3	Very high	3 Å²	3	28.8 Å²	28.8	3%	0.031	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	127.3	175.3	0	0	0	0	0	110.1	C487 V527 A529	G476-C487 PolarHBondContact N-O 2.85Å; G476-C487 PolarHBondContact O-N 2.9Å; G476-V527 WeakPolarHBondContact CA-O 3.32Å; G476-V527 PolarHBondContact N-O 2.83Å; G476-A529 VanDerWaalsContact C-CB 3.43Å
477	C	97.4	Very high	95.4	Very high	19 Å²	19	24.2 Å²	24.2	13%	0.128	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	133.4	179.1	-63.9	0	0	0	0	110.9	V431 A475 Y485	V431-C477 HydrophobicContact CG1-CB 4.16Å; A475-C477 PolarHBondContact O-N 2.87Å; C477-Y485 WeakPolarHBondContact CA-O 3.48Å
478	A	97	Very high	95.5	Very high	3 Å²	3	21.2 Å²	21.2	3%	0.025	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	145.8	-178.3	0	0	0	0	0	112	Y485 A529 I536	A478-Y485 PolarHBondContact N-O 2.77Å; A478-Y485 PolarHBondContact O-N 2.96Å; A478-A529 HydrophobicContact CB-CB 3.93Å; A478-I536 HydrophobicContact CB-CD1 3.62Å; A478-I536 HydrophobicContact CB-CG1 4.49Å; A478-I536 HydrophobicContact CB-CG2 4.13Å
479	L	94.8	Very high	95.5	Very high	45 Å²	45	21 Å²	21	24%	0.236	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	135.5	174.3	-178.1	68.9	0	0	0	110.5	V432 V433 G481 I484 P531	V432-L479 WeakPolarHBondContact O-CD2 3.39Å; V433-L479 HydrophobicContact CB-CD2 4.5Å; V433-L479 HydrophobicContact CG1-CD1 4.36Å; V433-L479 HydrophobicContact CG1-CD2 4.47Å; V433-L479 HydrophobicContact CG2-CD1 3.53Å; V433-L479 HydrophobicContact CG2-CD2 3.95Å; V433-L479 HydrophobicContact CG2-CG 4.36Å; L479-G481 WeakPolarHBondContact CD1-O 3.45Å; L479-G481 WeakPolarHBondContact CG-O 3.46Å; L479-I484 HydrophobicContact CD1-CG1 3.96Å; L479-P531 VanDerWaalsContact O-CB 3.22Å; L479-P531 WeakPolarHBondContact O-CB 3.37Å; L479-P531 WeakPolarHBondContact O-CG 3.48Å
480	L	89.8	Confident	95.6	Very high	21 Å²	21	18.2 Å²	18.2	11%	0.11	10%	0.102	C	C	.	.			trans	-143.4	108.8	170.4	-176.3	60.4	0	0	0	110.3	T483 Y485 P531 I536 P556	L480-T483 PolarHBondContact N-O 3.39Å; L480-Y485 HydrophobicContact CB-CD2 4.3Å; L480-Y485 HydrophobicContact CB-CE2 4.03Å; L480-P531 HydrophobicContact CD1-CB 4.4Å; L480-I536 HydrophobicContact CB-CD1 3.69Å; L480-I536 HydrophobicContact CB-CG1 4.42Å; L480-I536 HydrophobicContact CD2-CD1 3.97Å; L480-I536 HydrophobicContact CD2-CG1 4.11Å; L480-I536 HydrophobicContact CG-CD1 4.42Å; L480-P556 HydrophobicContact CD2-CB 4.45Å; L480-P556 HydrophobicContact CD2-CG 3.79Å
481	G	82.6	Confident	95.6	Very high	43 Å²	43	16.6 Å²	16.6	44%	0.443	10%	0.095	S	C	.	.	S	Bend	trans	57.3	-149.2	-160.3	0	0	0	0	0	111	L479 T483	L479-G481 WeakPolarHBondContact CD1-O 3.45Å; L479-G481 WeakPolarHBondContact CG-O 3.46Å; G481-T483 PolarHBondContact O-N 2.72Å
482	D	84.4	Confident	95.5	Very high	16 Å²	16	13.4 Å²	13.4	9%	0.086	9%	0.085	C	C	.	.	S	Bend	trans	-75.4	25.9	179.6	-51.4	-24	0	0	0	114	S238 V239 T509	S238-D482 WeakPolarHBondContact CA-OD1 3.33Å; V239-D482 WeakPolarHBondContact CB-OD2 3.38Å; V239-D482 VanDerWaalsContact CG2-OD2 3.28Å; V239-D482 WeakPolarHBondContact CG2-OD2 3.5Å; V239-D482 PolarHBondContact N-OD2 3.46Å; D482-T509 PolarHBondContact O-N 2.83Å; D482-T509 PolarHBondContact O-OG1 2.89Å
483	T	93	Very high	95.2	Very high	14 Å²	14	14.9 Å²	14.9	9%	0.086	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	119.2	-172.9	-54.6	0	0	0	0	112.1	L480 G481 Y485 A506 Y507	L480-T483 PolarHBondContact N-O 3.39Å; G481-T483 PolarHBondContact O-N 2.72Å; T483-Y485 HydrophobicContact CG2-CD2 4.18Å; T483-Y485 HydrophobicContact CG2-CE1 4.32Å; T483-Y485 HydrophobicContact CG2-CE2 3.59Å; T483-Y485 WeakPolarHBondContact O-CD2 3.49Å; T483-A506 HydrophobicContact CG2-CB 3.89Å; T483-Y507 WeakPolarHBondContact CA-O 3.45Å
484	I	97.4	Very high	94.7	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	123.7	175.2	-56.1	171.4	0	0	0	108.4	V431 V433 Y438 L440 L479 V486 A506 Y507 T509	V431-I484 HydrophobicContact CG2-CB 4.4Å; V431-I484 HydrophobicContact CG2-CD1 3.64Å; V431-I484 HydrophobicContact CG2-CG1 3.79Å; V431-I484 HydrophobicContact CG2-CG2 3.77Å; V433-I484 HydrophobicContact CG2-CD1 4.03Å; V433-I484 HydrophobicContact CG2-CG1 4.02Å; Y438-I484 HydrophobicContact CD1-CD1 4.33Å; Y438-I484 HydrophobicContact CD2-CD1 3.86Å; Y438-I484 HydrophobicContact CE2-CD1 4.5Å; Y438-I484 HydrophobicContact CG-CD1 3.76Å; L440-I484 HydrophobicContact CD1-CG2 4.37Å; L440-I484 HydrophobicContact CD2-CG2 3.98Å; L479-I484 HydrophobicContact CD1-CG1 3.96Å; I484-V486 HydrophobicContact CG2-CG2 4.47Å; I484-A506 CarbonylContact O-C 3.51Å; I484-A506 VanDerWaalsContact O-CA 3.31Å; I484-A506 WeakPolarHBondContact O-CA 3.49Å; I484-Y507 HydrophobicContact CD1-CD1 4.24Å; I484-Y507 PolarHBondContact N-O 2.81Å; I484-Y507 PolarHBondContact O-N 2.85Å; I484-T509 HydrophobicContact CD1-CG2 4.2Å; I484-T509 HydrophobicContact CG1-CG2 4.42Å
485	Y	98.1	Very high	94.2	Very high	12 Å²	12	25.9 Å²	25.9	5%	0.047	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	134.5	175.1	-67	-92.5	0	0	0	110.2	C477 A478 L480 T483 V504 E505 A506 V517 I536 Y554	C477-Y485 WeakPolarHBondContact CA-O 3.48Å; A478-Y485 PolarHBondContact N-O 2.77Å; A478-Y485 PolarHBondContact O-N 2.96Å; L480-Y485 HydrophobicContact CB-CD2 4.3Å; L480-Y485 HydrophobicContact CB-CE2 4.03Å; T483-Y485 HydrophobicContact CG2-CD2 4.18Å; T483-Y485 HydrophobicContact CG2-CE1 4.32Å; T483-Y485 HydrophobicContact CG2-CE2 3.59Å; T483-Y485 WeakPolarHBondContact O-CD2 3.49Å; Y485-V504 HydrophobicContact CD1-CG1 4.49Å; Y485-E505 WeakPolarHBondContact CA-O 3.25Å; Y485-A506 HydrophobicContact CD1-CB 3.86Å; Y485-A506 HydrophobicContact CE1-CB 3.76Å; Y485-V517 HydrophobicContact CD1-CG2 4.5Å; Y485-I536 HydrophobicContact CD2-CD1 4.33Å; Y485-I536 HydrophobicContact CD2-CG1 4.02Å; Y485-I536 HydrophobicContact CG-CG1 4.14Å; Y485-Y554 HydrophobicContact CD1-CD1 4.5Å; Y485-Y554 HydrophobicContact CD1-CE1 4.15Å; Y485-Y554 HydrophobicContact CE1-CD1 4.2Å; Y485-Y554 AromaticContact CE1-CE1 3.49Å; Y485-Y554 HydrophobicContact CE1-CE1 3.49Å; Y485-Y554 VanDerWaalsContact CE1-CE1 3.49Å; Y485-Y554 AromaticContact CZ-CE1 3.99Å
486	V	98.4	Very high	93.7	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.006	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	109.9	176.1	-175.1	0	0	0	0	109.1	L440 M468 A475 I484 V504 E505 W514	L440-V486 HydrophobicContact CD2-CG2 3.87Å; M468-V486 HydrophobicContact SD-CB 4.16Å; M468-V486 HydrophobicContact SD-CG1 3.88Å; M468-V486 HydrophobicContact SD-CG2 3.97Å; A475-V486 HydrophobicContact CB-CG1 3.77Å; I484-V486 HydrophobicContact CG2-CG2 4.47Å; V486-V504 WeakPolarHBondContact O-CA 3.41Å; V486-E505 PolarHBondContact N-O 2.87Å; V486-E505 PolarHBondContact O-N 2.99Å; V486-W514 HydrophobicContact CG2-CH2 3.76Å; V486-W514 HydrophobicContact CG2-CZ3 3.94Å
487	C	98.3	Very high	93.3	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	118.7	-170.1	-59.2	0	0	0	0	111.2	G476 G489 M520 V538	G476-C487 PolarHBondContact N-O 2.85Å; G476-C487 PolarHBondContact O-N 2.9Å; C487-G489 PolarHBondContact O-N 3.19Å; C487-M520 HydrophobicContact CB-SD 4.06Å; C487-V538 HydrophobicContact CB-CG1 4.05Å
488	G	98	Very high	93	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	24%	0.241	C	C	.	.			trans	62.7	-130.8	171.8	0	0	0	0	0	114.6	R472 A475 L501 T503 R524	R472-G488 PolarHBondContact NH1-O 3.44Å; A475-G488 WeakPolarHBondContact CB-O 3.41Å; G488-L501 VanDerWaalsContact CA-O 3.22Å; G488-L501 WeakPolarHBondContact CA-O 3.48Å; G488-T503 PolarHBondContact N-O 2.92Å; G488-T503 VanDerWaalsContact N-O 3.11Å; G488-R524 WeakPolarHBondContact CA-O 3.22Å
489	G	97.8	Very high	93	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	26%	0.259	C	S	.	.			trans	90.5	-175.1	-170	0	0	0	0	0	113.7	S473 G474 C487 L501 R524 C525	S473-G489 CarbonylContact O-C 3.53Å; S473-G489 WeakPolarHBondContact O-CA 3.37Å; G474-G489 WeakPolarHBondContact O-CA 3.42Å; C487-G489 PolarHBondContact O-N 3.19Å; G489-L501 WeakPolarHBondContact O-CB 3.45Å; G489-L501 PolarHBondContact O-N 2.96Å; G489-R524 PolarHBondContact N-O 3.39Å; G489-C525 VanDerWaalsContact C-CB 3.48Å
490	Y	97.8	Very high	93.1	Very high	68 Å²	68	42.7 Å²	42.7	27%	0.267	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	132.5	172.4	-175.6	-109	0	0	0	110.3	L448 S473 P498 S499 H500	L448-Y490 HydrophobicContact CD1-CD1 3.9Å; L448-Y490 HydrophobicContact CD1-CE1 4.11Å; L448-Y490 HydrophobicContact CD2-CD1 4.43Å; S473-Y490 PolarHBondContact N-O 3.05Å; S473-Y490 PolarHBondContact O-N 2.88Å; Y490-P498 HydrophobicContact CD1-CB 4.37Å; Y490-P498 HydrophobicContact CE1-CB 3.71Å; Y490-P498 HydrophobicContact CE1-CG 4.03Å; Y490-P498 HydrophobicContact CE2-CB 4.33Å; Y490-P498 WeakPolarHBondContact OH-CG 3.4Å; Y490-P498 PolarHBondContact OH-O 2.86Å; Y490-S499 WeakPolarHBondContact CA-O 3.43Å; Y490-S499 VanDerWaalsContact CD2-C 3.5Å; Y490-S499 WeakPolarHBondContact CD2-O 3.49Å; Y490-H500 AromaticContact CD2-CD2 3.91Å; Y490-H500 AromaticContact CD2-NE2 3.79Å; Y490-H500 AromaticContact CE2-CE1 3.97Å
491	G	97	Very high	93.5	Very high	1 Å²	1	42.1 Å²	42.1	1%	0.01	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	143.8	-132.6	179.8	0	0	0	0	0	112.8	R471 P498 S499	R471-G491 CarbonylContact O-C 3.49Å; R471-G491 VanDerWaalsContact O-CA 3.32Å; R471-G491 WeakPolarHBondContact O-CA 3.49Å; G491-P498 WeakPolarHBondContact O-CA 3.5Å; G491-S499 PolarHBondContact N-O 3.34Å; G491-S499 PolarHBondContact O-N 2.92Å; G491-S499 PolarHBondContact O-OG 2.84Å
492	G	94.6	Very high	94.2	Very high	6 Å²	6	42.8 Å²	42.8	6%	0.062	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	144.6	-174.8	-178.8	0	0	0	0	0	114	R471	R471-G492 PolarHBondContact N-O 3.08Å; R471-G492 PolarHBondContact O-N 3.11Å
493	A	92.2	Very high	94.9	Very high	33 Å²	33	43 Å²	43	27%	0.273	25%	0.251	S	S	.	.	S	Bend	trans	-62.3	161.7	178.1	0	0	0	0	0	113.2	R471 R496	R471-A493 PolarHBondContact NH2-O 3.13Å; R471-A493 VanDerWaalsContact NH2-O 3.13Å; A493-R496 PolarHBondContact O-N 2.78Å
494	E	86.9	Confident	95.1	Very high	166 Å²	166	42.3 Å²	42.3	78%	0.776	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.8	152	174.2	-168	157	-130.4	0	0	112.4	R496	E494-R496 PolarHBondContact O-N 3.06Å; E494-R496 VanDerWaalsContact O-N 3.09Å
495	G	87.5	Confident	95.1	Very high	80 Å²	80	42.3 Å²	42.3	83%	0.825	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	69.6	-4.1	-174.8	0	0	0	0	0	115.8
496	R	86.9	Confident	95.1	Very high	196 Å²	196	41.9 Å²	41.9	74%	0.74	25%	0.246	S	C	*	.	S	Bend	trans	-108	148.3	171.8	-65.7	-171.6	177.9	-131.5	-1.3	111.3	A493 E494	A493-R496 PolarHBondContact O-N 2.78Å; E494-R496 PolarHBondContact O-N 3.06Å; E494-R496 VanDerWaalsContact O-N 3.09Å
497	G	88.8	Confident	95	Very high	61 Å²	61	42.3 Å²	42.3	63%	0.629	25%	0.248	S	C	*	.			trans	-68	152	169.4	0	0	0	0	0	111.4
498	P	92.6	Very high	94.7	Very high	68 Å²	68	44 Å²	44	44%	0.442	26%	0.257	S	S	.	.			trans	-73.2	142.7	-174.4	30.2	-35.8	0	0	0	113	L448 Y490 G491	L448-P498 HydrophobicContact CD1-CB 3.78Å; Y490-P498 HydrophobicContact CD1-CB 4.37Å; Y490-P498 HydrophobicContact CE1-CB 3.71Å; Y490-P498 HydrophobicContact CE1-CG 4.03Å; Y490-P498 HydrophobicContact CE2-CB 4.33Å; Y490-P498 WeakPolarHBondContact OH-CG 3.4Å; Y490-P498 PolarHBondContact OH-O 2.86Å; G491-P498 WeakPolarHBondContact O-CA 3.5Å
499	S	96.3	Very high	94.3	Very high	58 Å²	58	45.3 Å²	45.3	41%	0.406	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	162.3	-178	53	0	0	0	0	111.4	Y490 G491	Y490-S499 WeakPolarHBondContact CA-O 3.43Å; Y490-S499 VanDerWaalsContact CD2-C 3.5Å; Y490-S499 WeakPolarHBondContact CD2-O 3.49Å; G491-S499 PolarHBondContact N-O 3.34Å; G491-S499 PolarHBondContact O-N 2.92Å; G491-S499 PolarHBondContact O-OG 2.84Å
500	H	97.5	Very high	93.5	Very high	53 Å²	53	51.6 Å²	51.6	25%	0.245	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	130	166.6	-56.1	88.8	0	0	0	109	Y490 P523 C525 Y542 G544	Y490-H500 AromaticContact CD2-CD2 3.91Å; Y490-H500 AromaticContact CD2-NE2 3.79Å; Y490-H500 AromaticContact CE2-CE1 3.97Å; H500-P523 HydrophobicContact CB-CB 4.07Å; H500-C525 PolarHBondContact CD2-SG 2.7Å; H500-Y542 AromaticContact CD2-CD1 3.8Å; H500-Y542 AromaticContact CE1-CE1 3.89Å; H500-Y542 AromaticContact NE2-CD1 3.47Å; H500-Y542 WeakPolarHBondContact NE2-CD1 3.48Å; H500-Y542 AromaticContact NE2-CE1 3.47Å; H500-Y542 WeakPolarHBondContact NE2-CE1 3.31Å; H500-G544 VanDerWaalsContact CE1-CA 3.43Å; H500-G544 WeakPolarHBondContact CE1-CA 3.29Å; H500-G544 WeakPolarHBondContact ND1-CA 3.21Å
501	L	97.8	Very high	93	Very high	8 Å²	8	54.1 Å²	54.1	4%	0.042	31%	0.306	C	S	.	.			trans	-105.7	136.5	-170.4	-58.7	176.8	0	0	0	112.3	M470 R472 G488 G489 P523 R524	M470-L501 HydrophobicContact SD-CD1 4.37Å; M470-L501 HydrophobicContact SD-CD2 4.37Å; R472-L501 HydrophobicContact CG-CD1 4.01Å; G488-L501 VanDerWaalsContact CA-O 3.22Å; G488-L501 WeakPolarHBondContact CA-O 3.48Å; G489-L501 WeakPolarHBondContact O-CB 3.45Å; G489-L501 PolarHBondContact O-N 2.96Å; L501-P523 WeakPolarHBondContact O-CA 3.31Å; L501-R524 PolarHBondContact O-N 3.04Å
502	D	97.4	Very high	92.7	Very high	58 Å²	58	56.1 Å²	56.1	31%	0.31	32%	0.323	S	S	.	.			trans	-92.6	-28.8	164.1	63.7	-33.2	0	0	0	111.7	S519 M520 P523	D502-S519 WeakPolarHBondContact O-CA 3.33Å; D502-S519 VanDerWaalsContact OD2-CB 3.23Å; D502-S519 WeakPolarHBondContact OD2-CB 3.4Å; D502-S519 PolarHBondContact OD2-OG 3.49Å; D502-M520 PolarHBondContact O-N 2.84Å; D502-P523 HydrophobicContact CB-CG 4.25Å
503	T	97.8	Very high	92.6	Very high	19 Å²	19	60 Å²	60	12%	0.117	34%	0.34	C	S	.	.			trans	-60.5	147.9	-175.6	64.8	0	0	0	0	113.6	M470 R472 G488	M470-T503 HydrophobicContact CE-CG2 4Å; R472-T503 PolarHBondContact NH1-O 2.94Å; R472-T503 PolarHBondContact NH1-OG1 3.37Å; R472-T503 PolarHBondContact NH2-OG1 2.78Å; G488-T503 PolarHBondContact N-O 2.92Å; G488-T503 VanDerWaalsContact N-O 3.11Å
504	V	98.3	Very high	92.8	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	129.9	-177.4	-175.6	0	0	0	0	109.3	Y485 V486 L516 V517 M520 W561	Y485-V504 HydrophobicContact CD1-CG1 4.49Å; V486-V504 WeakPolarHBondContact O-CA 3.41Å; V504-L516 WeakPolarHBondContact O-CD1 3.37Å; V504-V517 HydrophobicContact CB-CG2 3.69Å; V504-V517 HydrophobicContact CG1-CG2 3.55Å; V504-V517 PolarHBondContact O-N 2.95Å; V504-M520 HydrophobicContact CG2-CG 3.89Å; V504-W561 HydrophobicContact CG1-CZ2 4.28Å; V504-W561 HydrophobicContact CG2-CZ2 3.69Å
505	E	97.9	Very high	93.2	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	140.6	176.7	-75.1	175.9	-107	0	0	110.3	Y469 M470 R472 Y485 V486 W514 T515 L516	Y469-E505 WeakPolarHBondContact CB-OE2 3.21Å; Y469-E505 WeakPolarHBondContact CD2-OE2 3.3Å; Y469-E505 PolarHBondContact N-OE2 2.89Å; M470-E505 WeakPolarHBondContact CB-OE1 3.48Å; M470-E505 WeakPolarHBondContact CG-OE1 3.28Å; M470-E505 PolarHBondContact N-OE1 2.89Å; R472-E505 IonicContact CZ-OE1 3.93Å; R472-E505 VanDerWaalsContact CZ-OE1 3.26Å; R472-E505 IonicContact NE-OE1 3.8Å; R472-E505 PolarHBondContact NE-OE1 2.84Å; R472-E505 IonicContact NH2-OE1 3.38Å; R472-E505 PolarHBondContact NH2-OE1 3Å; Y485-E505 WeakPolarHBondContact CA-O 3.25Å; V486-E505 PolarHBondContact N-O 2.87Å; V486-E505 PolarHBondContact O-N 2.99Å; E505-W514 HydrophobicContact CB-CE3 3.8Å; E505-W514 HydrophobicContact CB-CZ3 3.92Å; E505-T515 WeakPolarHBondContact CA-O 3.16Å; E505-L516 HydrophobicContact CG-CD1 4Å
506	A	97.3	Very high	93.6	Very high	3 Å²	3	55 Å²	55	3%	0.025	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	123.6	-179.7	0	0	0	0	0	110.2	T483 I484 Y485 W514 T515 V517	T483-A506 HydrophobicContact CG2-CB 3.89Å; I484-A506 CarbonylContact O-C 3.51Å; I484-A506 VanDerWaalsContact O-CA 3.31Å; I484-A506 WeakPolarHBondContact O-CA 3.49Å; Y485-A506 HydrophobicContact CD1-CB 3.86Å; Y485-A506 HydrophobicContact CE1-CB 3.76Å; A506-W514 CarbonylContact O-C 3.19Å; A506-W514 WeakPolarHBondContact O-CA 3.34Å; A506-T515 PolarHBondContact N-O 2.95Å; A506-T515 PolarHBondContact O-N 2.83Å; A506-T515 PolarHBondContact O-OG1 3.34Å; A506-V517 HydrophobicContact CB-CG1 3.81Å
507	Y	97	Very high	94	Very high	11 Å²	11	46.8 Å²	46.8	4%	0.043	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	115.5	174.4	-176.2	-108.3	0	0	0	110	Y438 M452 K466 T483 I484 T509 A512 W514	Y438-Y507 HydrophobicContact CE1-CE1 4.49Å; M452-Y507 HydrophobicContact CE-CD1 3.91Å; M452-Y507 HydrophobicContact CE-CD2 4.11Å; M452-Y507 HydrophobicContact CE-CE1 3.61Å; M452-Y507 HydrophobicContact CE-CE2 3.84Å; M452-Y507 HydrophobicContact CE-CG 4.14Å; K466-Y507 HydrophobicContact CB-CE2 4.45Å; T483-Y507 WeakPolarHBondContact CA-O 3.45Å; I484-Y507 HydrophobicContact CD1-CD1 4.24Å; I484-Y507 PolarHBondContact N-O 2.81Å; I484-Y507 PolarHBondContact O-N 2.85Å; Y507-T509 HydrophobicContact CD1-CG2 4.01Å; Y507-T509 HydrophobicContact CE1-CG2 4.07Å; Y507-A512 WeakPolarHBondContact OH-CA 3.45Å; Y507-W514 AromaticContact CD2-CD1 3.72Å; Y507-W514 AromaticContact CD2-CD2 3.79Å; Y507-W514 HydrophobicContact CD2-CD2 3.79Å; Y507-W514 AromaticContact CD2-CE2 3.56Å; Y507-W514 AromaticContact CD2-CG 3.87Å; Y507-W514 HydrophobicContact CD2-CG 3.87Å; Y507-W514 HydrophobicContact CD2-CZ2 4.11Å; Y507-W514 AromaticContact CD2-NE1 3.49Å; Y507-W514 AromaticContact CE2-NE1 3.93Å; Y507-W514 HydrophobicContact CG-CD2 4.23Å; Y507-W514 AromaticContact CG-CE2 3.98Å; Y507-W514 HydrophobicContact CG-CH2 4.47Å; Y507-W514 HydrophobicContact CG-CZ2 4.1Å
508	N	91.2	Very high	94.4	Very high	36 Å²	36	46.7 Å²	46.7	19%	0.193	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	118.8	166	-176.1	-91.4	0	0	0	109	W510 L511 A512 Q513	N508-W510 PolarHBondContact OD1-N 2.86Å; N508-L511 HydrophobicContact CB-CB 4.35Å; N508-L511 WeakPolarHBondContact OD1-CB 3.24Å; N508-L511 VanDerWaalsContact OD1-CG 3.31Å; N508-L511 WeakPolarHBondContact OD1-CG 3.36Å; N508-L511 PolarHBondContact OD1-N 2.93Å; N508-A512 PolarHBondContact O-N 2.99Å; N508-A512 VanDerWaalsContact O-N 3.14Å; N508-Q513 PolarHBondContact N-O 3.46Å; N508-Q513 PolarHBondContact O-N 3.29Å
509	T	89.1	Confident	94.6	Very high	27 Å²	27	45.3 Å²	45.3	17%	0.166	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-43.9	-175.2	54.1	0	0	0	0	112	V433 Y438 D482 I484 Y507 L511 A512	V433-T509 HydrophobicContact CB-CG2 4.35Å; V433-T509 HydrophobicContact CG1-CG2 4.2Å; V433-T509 HydrophobicContact CG2-CG2 4.12Å; Y438-T509 HydrophobicContact CE2-CG2 4.47Å; D482-T509 PolarHBondContact O-N 2.83Å; D482-T509 PolarHBondContact O-OG1 2.89Å; I484-T509 HydrophobicContact CD1-CG2 4.2Å; I484-T509 HydrophobicContact CG1-CG2 4.42Å; Y507-T509 HydrophobicContact CD1-CG2 4.01Å; Y507-T509 HydrophobicContact CE1-CG2 4.07Å; T509-L511 PolarHBondContact O-N 3.21Å; T509-A512 PolarHBondContact O-N 3.47Å
510	W	82	Confident	94.7	Very high	131 Å²	131	42.8 Å²	42.8	50%	0.496	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-40.2	179.1	-98.2	84.9	0	0	0	114.4	V239 R240 N508	V239-W510 HydrophobicContact CB-CD2 4.31Å; V239-W510 HydrophobicContact CB-CG 4.38Å; V239-W510 HydrophobicContact CB-CZ2 4.48Å; V239-W510 HydrophobicContact CG1-CD2 3.92Å; V239-W510 HydrophobicContact CG1-CE3 4.26Å; V239-W510 HydrophobicContact CG1-CG 4.39Å; V239-W510 HydrophobicContact CG1-CH2 4.34Å; V239-W510 HydrophobicContact CG1-CZ2 4.03Å; V239-W510 HydrophobicContact CG1-CZ3 4.46Å; R240-W510 HydrophobicContact CB-CZ2 3.89Å; R240-W510 HydrophobicContact CG-CZ2 4.22Å; N508-W510 PolarHBondContact OD1-N 2.86Å
511	L	87.2	Confident	94.7	Very high	121 Å²	121	44.6 Å²	44.6	63%	0.634	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.1	-4.3	178.4	-63.9	175.5	0	0	0	113.2	N508 T509 Q513	N508-L511 HydrophobicContact CB-CB 4.35Å; N508-L511 WeakPolarHBondContact OD1-CB 3.24Å; N508-L511 VanDerWaalsContact OD1-CG 3.31Å; N508-L511 WeakPolarHBondContact OD1-CG 3.36Å; N508-L511 PolarHBondContact OD1-N 2.93Å; T509-L511 PolarHBondContact O-N 3.21Å; L511-Q513 HydrophobicContact CB-CB 4.07Å; L511-Q513 PolarHBondContact O-N 2.85Å
512	A	90.7	Very high	94.6	Very high	44 Å²	44	46.1 Å²	46.1	36%	0.364	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	43.5	47.6	-169.2	0	0	0	0	0	112.1	K466 Y507 N508 T509	K466-A512 WeakPolarHBondContact CD-O 3.48Å; K466-A512 PolarHBondContact NZ-O 3.4Å; Y507-A512 WeakPolarHBondContact OH-CA 3.45Å; N508-A512 PolarHBondContact O-N 2.99Å; N508-A512 VanDerWaalsContact O-N 3.14Å; T509-A512 PolarHBondContact O-N 3.47Å
513	Q	92.7	Very high	94.6	Very high	88 Å²	88	45.5 Å²	45.5	41%	0.411	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	125.1	-169.4	-179.8	167	-15	0	0	113	N508 L511	N508-Q513 PolarHBondContact N-O 3.46Å; N508-Q513 PolarHBondContact O-N 3.29Å; L511-Q513 HydrophobicContact CB-CB 4.07Å; L511-Q513 PolarHBondContact O-N 2.85Å
514	W	96.3	Very high	94.7	Very high	1 Å²	1	44.6 Å²	44.6	0%	0.004	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	137.5	164.7	-69.5	103.7	0	0	0	111.4	L440 M452 K466 P467 M468 Y469 V486 E505 A506 Y507	L440-W514 HydrophobicContact CD2-CH2 3.61Å; L440-W514 HydrophobicContact CD2-CZ2 3.94Å; M452-W514 HydrophobicContact CE-CZ2 4.03Å; M452-W514 HydrophobicContact SD-CZ2 3.93Å; K466-W514 PolarHBondContact O-NE1 2.8Å; P467-W514 PolarHBondContact O-NE1 2.82Å; M468-W514 HydrophobicContact CG-CD2 4.06Å; M468-W514 HydrophobicContact CG-CE3 4.14Å; M468-W514 HydrophobicContact CG-CH2 3.43Å; M468-W514 VanDerWaalsContact CG-CH2 3.43Å; M468-W514 HydrophobicContact CG-CZ2 3.32Å; M468-W514 HydrophobicContact CG-CZ3 3.84Å; M468-W514 HydrophobicContact SD-CH2 3.93Å; M468-W514 HydrophobicContact SD-CZ2 4.3Å; M468-W514 HydrophobicContact SD-CZ3 4.36Å; Y469-W514 HydrophobicContact CD2-CB 4Å; Y469-W514 HydrophobicContact CE2-CB 3.41Å; Y469-W514 VanDerWaalsContact CE2-CB 3.41Å; Y469-W514 WeakPolarHBondContact CE2-O 3.16Å; Y469-W514 PolarHBondContact OH-O 2.79Å; V486-W514 HydrophobicContact CG2-CH2 3.76Å; V486-W514 HydrophobicContact CG2-CZ3 3.94Å; E505-W514 HydrophobicContact CB-CE3 3.8Å; E505-W514 HydrophobicContact CB-CZ3 3.92Å; A506-W514 CarbonylContact O-C 3.19Å; A506-W514 WeakPolarHBondContact O-CA 3.34Å; Y507-W514 AromaticContact CD2-CD1 3.72Å; Y507-W514 AromaticContact CD2-CD2 3.79Å; Y507-W514 HydrophobicContact CD2-CD2 3.79Å; Y507-W514 AromaticContact CD2-CE2 3.56Å; Y507-W514 AromaticContact CD2-CG 3.87Å; Y507-W514 HydrophobicContact CD2-CG 3.87Å; Y507-W514 HydrophobicContact CD2-CZ2 4.11Å; Y507-W514 AromaticContact CD2-NE1 3.49Å; Y507-W514 AromaticContact CE2-NE1 3.93Å; Y507-W514 HydrophobicContact CG-CD2 4.23Å; Y507-W514 AromaticContact CG-CE2 3.98Å; Y507-W514 HydrophobicContact CG-CH2 4.47Å; Y507-W514 HydrophobicContact CG-CZ2 4.1Å
515	T	95.1	Very high	94.6	Very high	65 Å²	65	44.6 Å²	44.6	40%	0.399	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	152	166.3	56.5	0	0	0	0	109.5	E505 A506	E505-T515 WeakPolarHBondContact CA-O 3.16Å; A506-T515 PolarHBondContact N-O 2.95Å; A506-T515 PolarHBondContact O-N 2.83Å; A506-T515 PolarHBondContact O-OG1 3.34Å
516	L	95.1	Very high	94.5	Very high	107 Å²	107	48 Å²	48	56%	0.56	26%	0.257	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.6	130.1	168.5	-168.4	75.1	0	0	0	107.9	V504 E505	V504-L516 WeakPolarHBondContact O-CD1 3.37Å; E505-L516 HydrophobicContact CG-CD1 4Å
517	V	95.5	Very high	94.4	Very high	24 Å²	24	48.4 Å²	48.4	15%	0.145	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	-178.2	173.5	-58.3	0	0	0	0	110	Y485 V504 A506 S519 Y554	Y485-V517 HydrophobicContact CD1-CG2 4.5Å; V504-V517 HydrophobicContact CB-CG2 3.69Å; V504-V517 HydrophobicContact CG1-CG2 3.55Å; V504-V517 PolarHBondContact O-N 2.95Å; A506-V517 HydrophobicContact CB-CG1 3.81Å; V517-S519 PolarHBondContact O-N 2.87Å; V517-Y554 HydrophobicContact CG2-CE2 4.45Å
518	T	96.8	Very high	94.2	Very high	58 Å²	58	48.4 Å²	48.4	36%	0.356	26%	0.262	S	S	.	.	P	Polyproline II helix	trans	-58.5	134.3	179.3	-56.2	0	0	0	0	111.1	N559 W561	T518-N559 WeakPolarHBondContact CB-O 3.44Å; T518-N559 PolarHBondContact N-OD1 3.12Å; T518-N559 VanDerWaalsContact OG1-CG 3.27Å; T518-N559 PolarHBondContact OG1-ND2 3.43Å; T518-N559 VanDerWaalsContact OG1-ND2 3.09Å; T518-N559 PolarHBondContact OG1-O 2.87Å; T518-N559 PolarHBondContact OG1-OD1 2.93Å; T518-W561 PolarHBondContact O-NE1 3.09Å
519	S	97.8	Very high	94.4	Very high	39 Å²	39	47.2 Å²	47.2	27%	0.273	26%	0.257	S	S	.	.	P	Polyproline II helix	trans	-62.8	153.6	172.8	-68.3	0	0	0	0	112.4	D502 V517	D502-S519 WeakPolarHBondContact O-CA 3.33Å; D502-S519 VanDerWaalsContact OD2-CB 3.23Å; D502-S519 WeakPolarHBondContact OD2-CB 3.4Å; D502-S519 PolarHBondContact OD2-OG 3.49Å; V517-S519 PolarHBondContact O-N 2.87Å
520	M	98.3	Very high	94.7	Very high	6 Å²	6	46.4 Å²	46.4	3%	0.03	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-59.9	160.8	164.4	-59.7	177.7	-60.5	0	0	111	C487 D502 V504 V522 R524 V538 W561	C487-M520 HydrophobicContact CB-SD 4.06Å; D502-M520 PolarHBondContact O-N 2.84Å; V504-M520 HydrophobicContact CG2-CG 3.89Å; M520-V522 VanDerWaalsContact C-N 3.28Å; M520-V522 WeakPolarHBondContact CB-O 3.35Å; M520-V522 PolarHBondContact O-N 3.39Å; M520-R524 HydrophobicContact CE-CB 3.95Å; M520-R524 HydrophobicContact CE-CG 4.07Å; M520-R524 HydrophobicContact SD-CG 4.35Å; M520-V538 HydrophobicContact SD-CG1 4.39Å; M520-V538 HydrophobicContact SD-CG2 3.93Å; M520-W561 HydrophobicContact CB-CD2 4.44Å; M520-W561 HydrophobicContact CG-CD2 3.9Å; M520-W561 HydrophobicContact CG-CE3 4.18Å; M520-W561 HydrophobicContact CG-CH2 4.04Å; M520-W561 HydrophobicContact CG-CZ2 3.74Å; M520-W561 HydrophobicContact CG-CZ3 4.25Å; M520-W561 HydrophobicContact SD-CH2 4.41Å
521	N	97.7	Very high	95.3	Very high	91 Å²	91	42.6 Å²	42.6	49%	0.487	25%	0.245	S	C	.	.	S	Bend	trans	-72.4	-23.5	-179.9	-63.3	-87.2	0	0	0	112.5	E552 W561 L563	N521-E552 VanDerWaalsContact CB-OE2 3.27Å; N521-E552 WeakPolarHBondContact CB-OE2 3.24Å; N521-E552 PolarHBondContact N-OE2 2.79Å; N521-E552 PolarHBondContact ND2-OE2 2.97Å; N521-W561 WeakPolarHBondContact ND2-CB 3.24Å; N521-W561 PolarHBondContact ND2-O 3.17Å; N521-W561 VanDerWaalsContact ND2-O 3.15Å; N521-L563 HydrophobicContact CB-CB 4.37Å
522	V	95.9	Very high	95.4	Very high	40 Å²	40	36.9 Å²	36.9	24%	0.242	22%	0.215	C	C	.	.	S	Bend	trans	-133.6	152	171.4	-65.8	0	0	0	0	111.5	M520 R524 L548 E552	M520-V522 VanDerWaalsContact C-N 3.28Å; M520-V522 WeakPolarHBondContact CB-O 3.35Å; M520-V522 PolarHBondContact O-N 3.39Å; V522-R524 HydrophobicContact CG2-CG 4.19Å; V522-L548 HydrophobicContact CG2-CD1 4.1Å; V522-E552 WeakPolarHBondContact CG2-OE1 3.48Å
523	P	97.8	Very high	94.8	Very high	44 Å²	44	36.3 Å²	36.3	29%	0.286	21%	0.21	S	C	.	.			trans	-61.4	141	167.9	-20.9	32.7	0	0	0	111.7	H500 L501 D502 N543	H500-P523 HydrophobicContact CB-CB 4.07Å; L501-P523 WeakPolarHBondContact O-CA 3.31Å; D502-P523 HydrophobicContact CB-CG 4.25Å; P523-N543 VanDerWaalsContact O-CA 3.29Å; P523-N543 WeakPolarHBondContact O-CA 3.3Å; P523-N543 WeakPolarHBondContact O-CB 3.49Å
524	R	98.1	Very high	94.3	Very high	0 Å²	0	33 Å²	33	0%	0	20%	0.199	C	C	.	.			trans	-142.4	118.9	176	-52.8	-173.6	177.6	-109.8	-4.2	110.5	G488 G489 L501 M520 V522 V527 A540 L548 T550 E552	G488-R524 WeakPolarHBondContact CA-O 3.22Å; G489-R524 PolarHBondContact N-O 3.39Å; L501-R524 PolarHBondContact O-N 3.04Å; M520-R524 HydrophobicContact CE-CB 3.95Å; M520-R524 HydrophobicContact CE-CG 4.07Å; M520-R524 HydrophobicContact SD-CG 4.35Å; V522-R524 HydrophobicContact CG2-CG 4.19Å; R524-V527 HydrophobicContact CB-CB 3.85Å; R524-V527 HydrophobicContact CB-CG1 3.98Å; R524-V527 HydrophobicContact CB-CG2 3.78Å; R524-V527 HydrophobicContact CG-CG2 4.37Å; R524-A540 PolarHBondContact NH1-O 2.76Å; R524-L548 HydrophobicContact CG-CD1 3.75Å; R524-T550 PolarHBondContact NH1-O 2.89Å; R524-T550 PolarHBondContact NH2-O 3.43Å; R524-T550 PolarHBondContact NH2-OG1 2.98Å; R524-E552 IonicContact CZ-OE1 2.7Å; R524-E552 VanDerWaalsContact CZ-OE1 3.27Å; R524-E552 IonicContact NE-OE1 2.89Å; R524-E552 PolarHBondContact NE-OE1 3.05Å; R524-E552 IonicContact NH2-OE1 3.21Å; R524-E552 PolarHBondContact NH2-OE1 2.84Å
525	C	96.7	Very high	94	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.007	21%	0.21	C	C	.	.	B	Isolated β-bridge	trans	-109.8	165	159.3	80.1	0	0	0	0	111.1	G489 H500 V527 G541 Y542	G489-C525 VanDerWaalsContact C-CB 3.48Å; H500-C525 PolarHBondContact CD2-SG 2.7Å; C525-V527 VanDerWaalsContact C-N 3.26Å; C525-V527 PolarHBondContact O-N 2.81Å; C525-G541 CarbonylContact O-C 3.53Å; C525-G541 VanDerWaalsContact O-CA 3.24Å; C525-G541 WeakPolarHBondContact O-CA 3.43Å; C525-Y542 PolarHBondContact N-O 2.89Å; C525-Y542 PolarHBondContact O-N 2.69Å
526	Y	96.5	Very high	94.1	Very high	72 Å²	72	32.3 Å²	32.3	28%	0.282	19%	0.191	S	C	.	.	S	Bend	trans	50.4	50.9	-174.2	-53.7	-58.6	0	0	0	111.4	L380 G474 D575	L380-Y526 HydrophobicContact CD1-CE1 4.11Å; L380-Y526 HydrophobicContact CD2-CD1 4.23Å; L380-Y526 HydrophobicContact CD2-CE1 4.48Å; G474-Y526 WeakPolarHBondContact O-CA 3.1Å; G474-Y526 PolarHBondContact O-N 2.65Å; Y526-D575 WeakPolarHBondContact CB-OD1 3.42Å; Y526-D575 VanDerWaalsContact CD1-OD1 3.26Å; Y526-D575 WeakPolarHBondContact CD1-OD1 3.42Å; Y526-D575 PolarHBondContact O-N 2.88Å
527	V	94.7	Very high	94.2	Very high	10 Å²	10	28 Å²	28	6%	0.061	17%	0.167	C	C	.	.			trans	-120.1	136.3	-167.1	65.8	0	0	0	0	109.6	G476 R524 C525 V538 A539	G476-V527 WeakPolarHBondContact CA-O 3.32Å; G476-V527 PolarHBondContact N-O 2.83Å; R524-V527 HydrophobicContact CB-CB 3.85Å; R524-V527 HydrophobicContact CB-CG1 3.98Å; R524-V527 HydrophobicContact CB-CG2 3.78Å; R524-V527 HydrophobicContact CG-CG2 4.37Å; C525-V527 VanDerWaalsContact C-N 3.26Å; C525-V527 PolarHBondContact O-N 2.81Å; V527-V538 HydrophobicContact CG2-CB 4.1Å; V527-A539 WeakPolarHBondContact CG2-O 3.05Å
528	G	92	Very high	94.3	Very high	11 Å²	11	26.8 Å²	26.8	11%	0.113	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	148.9	169.6	0	0	0	0	0	111.3	V538 M578	G528-V538 WeakPolarHBondContact O-CA 3.24Å; G528-V538 WeakPolarHBondContact O-CB 3.35Å; G528-V538 WeakPolarHBondContact O-CG1 3.17Å; G528-M578 VanDerWaalsContact O-CE 3.3Å; G528-M578 WeakPolarHBondContact O-CE 3.43Å
529	A	96.8	Very high	94.3	Very high	11 Å²	11	24 Å²	24	9%	0.091	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	138.7	160	0	0	0	0	0	109.3	G476 A478 I536 Y537 V538 M578	G476-A529 VanDerWaalsContact C-CB 3.43Å; A478-A529 HydrophobicContact CB-CB 3.93Å; A529-I536 HydrophobicContact CB-CG2 4.15Å; A529-Y537 WeakPolarHBondContact CA-O 3.1Å; A529-V538 HydrophobicContact CB-CG1 3.95Å; A529-M578 VanDerWaalsContact C-CE 3.47Å; A529-M578 VanDerWaalsContact CA-CE 3.48Å
530	C	96	Very high	94.3	Very high	10 Å²	10	22.2 Å²	22.2	7%	0.068	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	146	176.1	-65.5	0	0	0	0	111.6	L293 I536 Y537 M578 V580	L293-C530 HydrophobicContact CD1-CB 3.84Å; C530-I536 WeakPolarHBondContact O-CA 3.49Å; C530-Y537 PolarHBondContact N-O 2.9Å; C530-Y537 PolarHBondContact O-N 2.82Å; C530-M578 HydrophobicContact CB-CE 3.94Å; C530-M578 VanDerWaalsContact SG-CE 3.55Å; C530-V580 HydrophobicContact CB-CG2 3.63Å
531	P	92.8	Very high	94.2	Very high	52 Å²	52	21.9 Å²	21.9	34%	0.338	13%	0.129	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	130.2	166.8	32.6	-31.1	0	0	0	110.5	L479 L480 K535 I536	L479-P531 VanDerWaalsContact O-CB 3.22Å; L479-P531 WeakPolarHBondContact O-CB 3.37Å; L479-P531 WeakPolarHBondContact O-CG 3.48Å; L480-P531 HydrophobicContact CD1-CB 4.4Å; P531-K535 CarbonylContact C-O 3.58Å; P531-K535 WeakPolarHBondContact CA-O 3.19Å; P531-I536 HydrophobicContact CB-CD1 4.11Å
532	L	89.4	Confident	94.2	Very high	1 Å²	1	21.2 Å²	21.2	1%	0.005	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	127.5	-177.9	178.4	67.7	0	0	0	109.1	E291 L293 F312 P314 G534 K535 Y537 V580	E291-L532 HydrophobicContact CB-CD1 3.4Å; E291-L532 HydrophobicContact CG-CD1 4.45Å; L293-L532 HydrophobicContact CB-CD2 4.06Å; F312-L532 HydrophobicContact CD1-CD2 4.45Å; F312-L532 HydrophobicContact CE1-CD2 4.41Å; P314-L532 HydrophobicContact CB-CD2 3.93Å; P314-L532 HydrophobicContact CB-CG 4.34Å; P314-L532 HydrophobicContact CG-CD1 4.18Å; P314-L532 HydrophobicContact CG-CD2 3.9Å; P314-L532 HydrophobicContact CG-CG 4.08Å; L532-G534 VanDerWaalsContact C-N 3.27Å; L532-G534 PolarHBondContact O-N 3.5Å; L532-G534 VanDerWaalsContact O-N 3.15Å; L532-K535 PolarHBondContact N-O 2.87Å; L532-K535 PolarHBondContact O-N 2.83Å; L532-Y537 HydrophobicContact CB-CD2 3.74Å; L532-Y537 HydrophobicContact CB-CE2 4.17Å; L532-Y537 HydrophobicContact CB-CG 4.43Å; L532-Y537 HydrophobicContact CD2-CD1 4.37Å; L532-Y537 HydrophobicContact CD2-CD2 3.9Å; L532-Y537 HydrophobicContact CD2-CE2 4.05Å; L532-Y537 HydrophobicContact CD2-CG 4.06Å; L532-Y537 HydrophobicContact CG-CD2 4.2Å; L532-Y537 HydrophobicContact CG-CE2 4.26Å; L532-V580 HydrophobicContact CB-CG2 4.14Å; L532-V580 HydrophobicContact CD1-CG1 3.78Å; L532-V580 HydrophobicContact CD1-CG2 4.09Å
533	A	79.5	Confident	94.2	Very high	31 Å²	31	20.8 Å²	20.8	26%	0.256	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	45.6	45.6	177.7	0	0	0	0	0	114.5	E291 K535	E291-A533 PolarHBondContact OE2-N 3.21Å; A533-K535 VanDerWaalsContact C-N 3.34Å; A533-K535 PolarHBondContact O-N 2.79Å
534	G	81	Confident	94.1	Very high	18 Å²	18	19.7 Å²	19.7	19%	0.186	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.8	13.5	178.8	0	0	0	0	0	116.2	L532	L532-G534 VanDerWaalsContact C-N 3.27Å; L532-G534 PolarHBondContact O-N 3.5Å; L532-G534 VanDerWaalsContact O-N 3.15Å
535	K	91.5	Very high	93.9	Very high	53 Å²	53	26.8 Å²	26.8	23%	0.23	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	161.3	-179.6	-62	-161.7	-170.1	-147.4	0	111.5	P531 L532 A533 Y537 Y554 D555	P531-K535 CarbonylContact C-O 3.58Å; P531-K535 WeakPolarHBondContact CA-O 3.19Å; L532-K535 PolarHBondContact N-O 2.87Å; L532-K535 PolarHBondContact O-N 2.83Å; A533-K535 VanDerWaalsContact C-N 3.34Å; A533-K535 PolarHBondContact O-N 2.79Å; K535-Y537 HydrophobicContact CB-CD2 4.16Å; K535-Y537 HydrophobicContact CB-CE2 3.91Å; K535-Y554 WeakPolarHBondContact CA-O 3.08Å; K535-Y554 WeakPolarHBondContact CB-O 3.43Å; K535-D555 HydrophobicContact CD-CB 4.42Å; K535-D555 VanDerWaalsContact CE-OD2 3.31Å; K535-D555 WeakPolarHBondContact CE-OD2 3.37Å; K535-D555 IonicContact NZ-OD2 2.94Å; K535-D555 PolarHBondContact NZ-OD2 3.28Å
536	I	96.3	Very high	93.9	Very high	0 Å²	0	29 Å²	29	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	123.1	165.7	-58.5	-53	0	0	0	108.5	A478 L480 Y485 A529 C530 P531 S553 Y554 W561	A478-I536 HydrophobicContact CB-CD1 3.62Å; A478-I536 HydrophobicContact CB-CG1 4.49Å; A478-I536 HydrophobicContact CB-CG2 4.13Å; L480-I536 HydrophobicContact CB-CD1 3.69Å; L480-I536 HydrophobicContact CB-CG1 4.42Å; L480-I536 HydrophobicContact CD2-CD1 3.97Å; L480-I536 HydrophobicContact CD2-CG1 4.11Å; L480-I536 HydrophobicContact CG-CD1 4.42Å; Y485-I536 HydrophobicContact CD2-CD1 4.33Å; Y485-I536 HydrophobicContact CD2-CG1 4.02Å; Y485-I536 HydrophobicContact CG-CG1 4.14Å; A529-I536 HydrophobicContact CB-CG2 4.15Å; C530-I536 WeakPolarHBondContact O-CA 3.49Å; P531-I536 HydrophobicContact CB-CD1 4.11Å; I536-S553 CarbonylContact O-C 3.57Å; I536-S553 VanDerWaalsContact O-CA 3.3Å; I536-S553 WeakPolarHBondContact O-CA 3.48Å; I536-Y554 PolarHBondContact N-O 2.75Å; I536-Y554 PolarHBondContact O-N 2.91Å; I536-W561 HydrophobicContact CG2-CH2 4.29Å
537	Y	97.1	Very high	93.9	Very high	15 Å²	15	26.4 Å²	26.4	6%	0.059	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	140.9	172.1	-82	-107.4	0	0	0	110.5	F312 A529 C530 L532 K535 V551 E552 M578	F312-Y537 AromaticContact CE1-CD1 3.88Å; F312-Y537 HydrophobicContact CE1-CD1 3.88Å; F312-Y537 AromaticContact CE1-CE1 3.48Å; F312-Y537 HydrophobicContact CE1-CE1 3.48Å; F312-Y537 VanDerWaalsContact CE1-CE1 3.48Å; F312-Y537 HydrophobicContact CZ-CD1 4.5Å; F312-Y537 AromaticContact CZ-CE1 3.85Å; F312-Y537 HydrophobicContact CZ-CE1 3.85Å; A529-Y537 WeakPolarHBondContact CA-O 3.1Å; C530-Y537 PolarHBondContact N-O 2.9Å; C530-Y537 PolarHBondContact O-N 2.82Å; L532-Y537 HydrophobicContact CB-CD2 3.74Å; L532-Y537 HydrophobicContact CB-CE2 4.17Å; L532-Y537 HydrophobicContact CB-CG 4.43Å; L532-Y537 HydrophobicContact CD2-CD1 4.37Å; L532-Y537 HydrophobicContact CD2-CD2 3.9Å; L532-Y537 HydrophobicContact CD2-CE2 4.05Å; L532-Y537 HydrophobicContact CD2-CG 4.06Å; L532-Y537 HydrophobicContact CG-CD2 4.2Å; L532-Y537 HydrophobicContact CG-CE2 4.26Å; K535-Y537 HydrophobicContact CB-CD2 4.16Å; K535-Y537 HydrophobicContact CB-CE2 3.91Å; Y537-V551 HydrophobicContact CD1-CG2 3.83Å; Y537-E552 WeakPolarHBondContact CA-O 3.46Å; Y537-M578 WeakPolarHBondContact O-CE 3.41Å
538	V	97.8	Very high	94	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	135.5	168.5	-58.7	0	0	0	0	109.1	C487 M520 V527 G528 A529 V551 E552 W561	C487-V538 HydrophobicContact CB-CG1 4.05Å; M520-V538 HydrophobicContact SD-CG1 4.39Å; M520-V538 HydrophobicContact SD-CG2 3.93Å; V527-V538 HydrophobicContact CG2-CB 4.1Å; G528-V538 WeakPolarHBondContact O-CA 3.24Å; G528-V538 WeakPolarHBondContact O-CB 3.35Å; G528-V538 WeakPolarHBondContact O-CG1 3.17Å; A529-V538 HydrophobicContact CB-CG1 3.95Å; V538-V551 WeakPolarHBondContact O-CA 3.26Å; V538-V551 WeakPolarHBondContact O-CG2 3.13Å; V538-E552 HydrophobicContact CG2-CB 3.86Å; V538-E552 PolarHBondContact N-O 2.89Å; V538-E552 PolarHBondContact O-N 2.87Å; V538-W561 HydrophobicContact CG1-CH2 3.87Å; V538-W561 HydrophobicContact CG1-CZ3 4.08Å; V538-W561 HydrophobicContact CG2-CH2 4.25Å; V538-W561 HydrophobicContact CG2-CZ3 3.73Å
539	A	97.1	Very high	94.2	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	164	175.9	0	0	0	0	0	109.3	L293 V295 W319 V527 V551 M569 M578	L293-A539 HydrophobicContact CD2-CB 4.24Å; V295-A539 HydrophobicContact CG2-CB 4.01Å; W319-A539 HydrophobicContact CH2-CB 4.08Å; V527-A539 WeakPolarHBondContact CG2-O 3.05Å; A539-V551 HydrophobicContact CB-CB 4.24Å; A539-V551 HydrophobicContact CB-CG2 4.13Å; A539-M569 HydrophobicContact CB-SD 4.33Å; A539-M578 HydrophobicContact CB-SD 3.97Å
540	A	96.5	Very high	94.2	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	16%	0.157	C	C	.	.			trans	58.5	-164.8	-178.7	0	0	0	0	0	113.4	V295 R524 M569 R573 T576	V295-A540 HydrophobicContact CG1-CB 4.5Å; R524-A540 PolarHBondContact NH1-O 2.76Å; A540-M569 HydrophobicContact CB-CE 3.66Å; A540-M569 HydrophobicContact CB-SD 4.35Å; A540-R573 HydrophobicContact CB-CG 4.36Å; A540-R573 WeakPolarHBondContact CB-O 3.41Å; A540-T576 HydrophobicContact CB-CG2 3.85Å
541	G	97.1	Very high	94.3	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.154	C	C	.	.			trans	108.1	177	173.3	0	0	0	0	0	113.7	C525 L547 L548 R573	C525-G541 CarbonylContact O-C 3.53Å; C525-G541 VanDerWaalsContact O-CA 3.24Å; C525-G541 WeakPolarHBondContact O-CA 3.43Å; G541-L547 CarbonylContact O-C 3.59Å; G541-L548 WeakPolarHBondContact O-CB 3.5Å; G541-L548 WeakPolarHBondContact O-CG 3.24Å; G541-L548 PolarHBondContact O-N 2.9Å; G541-R573 PolarHBondContact N-O 2.87Å
542	Y	97.6	Very high	94.5	Very high	76 Å²	76	24.1 Å²	24.1	30%	0.298	14%	0.138	S	C	.	.	B	Isolated β-bridge	trans	-119.9	130.7	-179.5	179.4	-115.2	0	0	0	111	H500 C525 G544 S546 L547	H500-Y542 AromaticContact CD2-CD1 3.8Å; H500-Y542 AromaticContact CE1-CE1 3.89Å; H500-Y542 AromaticContact NE2-CD1 3.47Å; H500-Y542 WeakPolarHBondContact NE2-CD1 3.48Å; H500-Y542 AromaticContact NE2-CE1 3.47Å; H500-Y542 WeakPolarHBondContact NE2-CE1 3.31Å; C525-Y542 PolarHBondContact N-O 2.89Å; C525-Y542 PolarHBondContact O-N 2.69Å; Y542-G544 VanDerWaalsContact CE1-CA 3.41Å; Y542-G544 PolarHBondContact OH-O 2.93Å; Y542-S546 VanDerWaalsContact CD2-C 3.43Å; Y542-S546 WeakPolarHBondContact CD2-O 3.48Å; Y542-L547 HydrophobicContact CD2-CD2 4.05Å
543	N	96.5	Very high	94.8	Very high	31 Å²	31	24.2 Å²	24.2	17%	0.166	14%	0.139	C	C	.	.			trans	-95.2	2.5	-176.1	67.6	33.2	0	0	0	114.3	P523 N545 S546 L548	P523-N543 VanDerWaalsContact O-CA 3.29Å; P523-N543 WeakPolarHBondContact O-CA 3.3Å; P523-N543 WeakPolarHBondContact O-CB 3.49Å; N543-N545 WeakPolarHBondContact OD1-CA 3.19Å; N543-N545 WeakPolarHBondContact OD1-CB 3.13Å; N543-N545 PolarHBondContact OD1-N 3.38Å; N543-S546 PolarHBondContact N-O 3.31Å; N543-S546 PolarHBondContact ND2-OG 2.9Å; N543-S546 PolarHBondContact OD1-N 2.94Å; N543-S546 PolarHBondContact OD1-O 3.32Å; N543-L548 HydrophobicContact CB-CD1 4.42Å
544	G	94.7	Very high	95.7	Very high	22 Å²	22	23 Å²	23	23%	0.227	13%	0.127	C	C	.	.	S	Bend	trans	92.1	-4.1	-173.2	0	0	0	0	0	115.5	H500 Y542	H500-G544 VanDerWaalsContact CE1-CA 3.43Å; H500-G544 WeakPolarHBondContact CE1-CA 3.29Å; H500-G544 WeakPolarHBondContact ND1-CA 3.21Å; Y542-G544 VanDerWaalsContact CE1-CA 3.41Å; Y542-G544 PolarHBondContact OH-O 2.93Å
545	N	94.8	Very high	96.2	Very high	148 Å²	148	23 Å²	23	79%	0.791	12%	0.123	S	C	*	.	S	Bend	trans	-131.6	-46	174.9	-55.9	-85	0	0	0	111.4	N543	N543-N545 WeakPolarHBondContact OD1-CA 3.19Å; N543-N545 WeakPolarHBondContact OD1-CB 3.13Å; N543-N545 PolarHBondContact OD1-N 3.38Å
546	S	95.7	Very high	96.1	Very high	48 Å²	48	21.7 Å²	21.7	34%	0.336	12%	0.12	S	C	.	.	S	Bend	trans	-132.2	160	179.4	73.3	0	0	0	0	111.7	Y542 N543	Y542-S546 VanDerWaalsContact CD2-C 3.43Å; Y542-S546 WeakPolarHBondContact CD2-O 3.48Å; N543-S546 PolarHBondContact N-O 3.31Å; N543-S546 PolarHBondContact ND2-OG 2.9Å; N543-S546 PolarHBondContact OD1-N 2.94Å; N543-S546 PolarHBondContact OD1-O 3.32Å
547	L	97.1	Very high	95.6	Very high	17 Å²	17	22.8 Å²	22.8	9%	0.089	13%	0.126	C	C	.	.	B	Isolated β-bridge	trans	-68.1	174.6	159.2	-61.3	174.2	0	0	0	109.7	G300 G541 Y542 E572 C574	G300-L547 WeakPolarHBondContact O-CD1 3.25Å; G541-L547 CarbonylContact O-C 3.59Å; Y542-L547 HydrophobicContact CD2-CD2 4.05Å; L547-E572 HydrophobicContact CB-CB 3.94Å; L547-C574 HydrophobicContact CD2-CB 3.74Å; L547-C574 WeakPolarHBondContact CD2-SG 3.46Å
548	L	97.1	Very high	95.2	Very high	12 Å²	12	25 Å²	25	6%	0.063	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	138.4	-175.1	-64.1	172.7	0	0	0	111.8	V522 R524 G541 N543 M569 R573	V522-L548 HydrophobicContact CG2-CD1 4.1Å; R524-L548 HydrophobicContact CG-CD1 3.75Å; G541-L548 WeakPolarHBondContact O-CB 3.5Å; G541-L548 WeakPolarHBondContact O-CG 3.24Å; G541-L548 PolarHBondContact O-N 2.9Å; N543-L548 HydrophobicContact CB-CD1 4.42Å; L548-M569 VanDerWaalsContact O-CE 3.31Å; L548-M569 WeakPolarHBondContact O-CE 2.99Å; L548-R573 PolarHBondContact O-N 2.89Å; L548-R573 VanDerWaalsContact O-N 3.11Å
549	D	96.4	Very high	94.9	Very high	26 Å²	26	28.2 Å²	28.2	14%	0.139	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	-15.4	170.8	63.2	-27.8	0	0	0	112.6	R568 M569 E572	D549-R568 HydrophobicContact CB-CB 4.41Å; D549-R568 IonicContact OD1-NH1 3.76Å; D549-R568 PolarHBondContact OD1-NH1 2.8Å; D549-R568 WeakPolarHBondContact OD2-CB 3.26Å; D549-R568 WeakPolarHBondContact OD2-CD 3.24Å; D549-R568 VanDerWaalsContact OD2-CG 3.25Å; D549-R568 WeakPolarHBondContact OD2-CG 3.39Å; D549-R568 IonicContact OD2-CZ 3.52Å; D549-R568 IonicContact OD2-NE 3.14Å; D549-R568 IonicContact OD2-NH1 2.67Å; D549-R568 PolarHBondContact OD2-NH1 2.96Å; D549-M569 WeakPolarHBondContact O-CB 3.43Å; D549-M569 WeakPolarHBondContact O-CG 3.35Å; D549-M569 PolarHBondContact O-N 2.7Å; D549-E572 HydrophobicContact CB-CG 3.98Å
550	T	97.1	Very high	94.9	Very high	9 Å²	9	30.6 Å²	30.6	6%	0.055	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	151.3	-171.9	51.1	0	0	0	0	114.3	R524 L563 R568	R524-T550 PolarHBondContact NH1-O 2.89Å; R524-T550 PolarHBondContact NH2-O 3.43Å; R524-T550 PolarHBondContact NH2-OG1 2.98Å; T550-L563 HydrophobicContact CG2-CD1 4.13Å; T550-R568 HydrophobicContact CG2-CG 4.32Å
551	V	97	Very high	94.9	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	142.3	169.9	62.6	0	0	0	0	111.8	F312 W319 Y537 V538 A539 H564	F312-V551 HydrophobicContact CE2-CG1 4.22Å; F312-V551 HydrophobicContact CZ-CG1 4.48Å; W319-V551 HydrophobicContact CZ2-CB 3.98Å; W319-V551 HydrophobicContact CZ2-CG1 4.07Å; W319-V551 HydrophobicContact CZ2-CG2 4.43Å; Y537-V551 HydrophobicContact CD1-CG2 3.83Å; V538-V551 WeakPolarHBondContact O-CA 3.26Å; V538-V551 WeakPolarHBondContact O-CG2 3.13Å; A539-V551 HydrophobicContact CB-CB 4.24Å; A539-V551 HydrophobicContact CB-CG2 4.13Å; V551-H564 HydrophobicContact CG1-CB 4.03Å; V551-H564 PolarHBondContact O-N 2.9Å; V551-H564 VanDerWaalsContact O-N 3.11Å
552	E	97	Very high	94.9	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	150.2	174.5	-64.6	178.1	-110.9	0	0	110.8	N521 V522 R524 Y537 V538 W561 W562 L563	N521-E552 VanDerWaalsContact CB-OE2 3.27Å; N521-E552 WeakPolarHBondContact CB-OE2 3.24Å; N521-E552 PolarHBondContact N-OE2 2.79Å; N521-E552 PolarHBondContact ND2-OE2 2.97Å; V522-E552 WeakPolarHBondContact CG2-OE1 3.48Å; R524-E552 IonicContact CZ-OE1 2.7Å; R524-E552 VanDerWaalsContact CZ-OE1 3.27Å; R524-E552 IonicContact NE-OE1 2.89Å; R524-E552 PolarHBondContact NE-OE1 3.05Å; R524-E552 IonicContact NH2-OE1 3.21Å; R524-E552 PolarHBondContact NH2-OE1 2.84Å; Y537-E552 WeakPolarHBondContact CA-O 3.46Å; V538-E552 HydrophobicContact CG2-CB 3.86Å; V538-E552 PolarHBondContact N-O 2.89Å; V538-E552 PolarHBondContact O-N 2.87Å; E552-W561 HydrophobicContact CB-CE3 3.9Å; E552-W561 HydrophobicContact CB-CZ3 4.28Å; E552-W562 CarbonylContact C-O 3.6Å; E552-W562 VanDerWaalsContact CA-O 3.25Å; E552-W562 WeakPolarHBondContact CA-O 3.23Å; E552-L563 HydrophobicContact CG-CB 4.07Å; E552-L563 HydrophobicContact CG-CD1 3.5Å; E552-L563 VanDerWaalsContact CG-CD1 3.5Å; E552-L563 HydrophobicContact CG-CG 4.39Å
553	S	96.6	Very high	94.8	Very high	2 Å²	2	37.3 Å²	37.3	1%	0.014	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	129.4	172.9	66.5	0	0	0	0	113	I536 W562 H564	I536-S553 CarbonylContact O-C 3.57Å; I536-S553 VanDerWaalsContact O-CA 3.3Å; I536-S553 WeakPolarHBondContact O-CA 3.48Å; S553-W562 PolarHBondContact N-O 2.88Å; S553-W562 PolarHBondContact O-N 2.84Å; S553-H564 PolarHBondContact OG-NE2 3.13Å
554	Y	97.3	Very high	94.8	Very high	6 Å²	6	37.5 Å²	37.5	2%	0.024	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	126	173.6	179	-112.5	0	0	0	111.9	Y485 V517 K535 I536 P556 N559 T560 W561	Y485-Y554 HydrophobicContact CD1-CD1 4.5Å; Y485-Y554 HydrophobicContact CD1-CE1 4.15Å; Y485-Y554 HydrophobicContact CE1-CD1 4.2Å; Y485-Y554 AromaticContact CE1-CE1 3.49Å; Y485-Y554 HydrophobicContact CE1-CE1 3.49Å; Y485-Y554 VanDerWaalsContact CE1-CE1 3.49Å; Y485-Y554 AromaticContact CZ-CE1 3.99Å; V517-Y554 HydrophobicContact CG2-CE2 4.45Å; K535-Y554 WeakPolarHBondContact CA-O 3.08Å; K535-Y554 WeakPolarHBondContact CB-O 3.43Å; I536-Y554 PolarHBondContact N-O 2.75Å; I536-Y554 PolarHBondContact O-N 2.91Å; Y554-P556 HydrophobicContact CD1-CB 4.3Å; Y554-P556 HydrophobicContact CE1-CB 3.77Å; Y554-N559 WeakPolarHBondContact CE2-OD1 3.29Å; Y554-N559 PolarHBondContact OH-OD1 2.73Å; Y554-T560 WeakPolarHBondContact CA-O 3.25Å; Y554-W561 AromaticContact CD2-CD1 3.72Å; Y554-W561 HydrophobicContact CD2-CD2 4.12Å; Y554-W561 AromaticContact CD2-CE2 3.76Å; Y554-W561 HydrophobicContact CD2-CG 4.12Å; Y554-W561 HydrophobicContact CD2-CZ2 4.33Å; Y554-W561 AromaticContact CD2-NE1 3.49Å; Y554-W561 HydrophobicContact CG-CD2 4.35Å; Y554-W561 AromaticContact CG-CE2 3.96Å; Y554-W561 HydrophobicContact CG-CZ2 4.11Å
555	D	92	Very high	94.5	Very high	19 Å²	19	42.6 Å²	42.6	10%	0.102	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	113	168.8	-165.6	-59.4	0	0	0	109.9	K535 I557 E558 N559 T560	K535-D555 HydrophobicContact CD-CB 4.42Å; K535-D555 VanDerWaalsContact CE-OD2 3.31Å; K535-D555 WeakPolarHBondContact CE-OD2 3.37Å; K535-D555 IonicContact NZ-OD2 2.94Å; K535-D555 PolarHBondContact NZ-OD2 3.28Å; D555-I557 VanDerWaalsContact C-N 3.26Å; D555-I557 PolarHBondContact O-N 2.93Å; D555-I557 WeakPolarHBondContact OD1-CB 3.42Å; D555-I557 PolarHBondContact OD1-N 2.78Å; D555-E558 HydrophobicContact CB-CB 4.45Å; D555-E558 PolarHBondContact OD1-N 2.88Å; D555-N559 WeakPolarHBondContact O-CA 3.09Å; D555-N559 PolarHBondContact O-N 2.88Å; D555-T560 PolarHBondContact N-O 3.49Å; D555-T560 PolarHBondContact O-N 3.47Å
556	P	89	Confident	94.3	Very high	25 Å²	25	45.2 Å²	45.2	16%	0.162	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-8.4	-177.6	34.5	-39.6	0	0	0	113.8	L480 Y554	L480-P556 HydrophobicContact CD2-CB 4.45Å; L480-P556 HydrophobicContact CD2-CG 3.79Å; Y554-P556 HydrophobicContact CD1-CB 4.3Å; Y554-P556 HydrophobicContact CE1-CB 3.77Å
557	I	86.7	Confident	94.2	Very high	22 Å²	22	43.1 Å²	43.1	11%	0.113	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-46.7	178.9	-59.9	178.1	0	0	0	109.1	R275 H276 R284 D555	R275-I557 HydrophobicContact CB-CG2 4.47Å; R275-I557 VanDerWaalsContact O-CG2 3.3Å; R275-I557 WeakPolarHBondContact O-CG2 3.2Å; H276-I557 VanDerWaalsContact CA-O 3.28Å; H276-I557 WeakPolarHBondContact CA-O 3.31Å; H276-I557 WeakPolarHBondContact CB-O 3.41Å; H276-I557 PolarHBondContact N-O 2.97Å; H276-I557 VanDerWaalsContact N-O 3.15Å; R284-I557 HydrophobicContact CG-CD1 3.86Å; D555-I557 VanDerWaalsContact C-N 3.26Å; D555-I557 PolarHBondContact O-N 2.93Å; D555-I557 WeakPolarHBondContact OD1-CB 3.42Å; D555-I557 PolarHBondContact OD1-N 2.78Å
558	E	88.4	Confident	94.2	Very high	63 Å²	63	47.6 Å²	47.6	29%	0.294	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-9	176.3	-57.4	-70.7	153.4	0	0	112.9	R279 D555 T560	R279-E558 IonicContact CZ-OE1 3.25Å; R279-E558 VanDerWaalsContact CZ-OE1 3.25Å; R279-E558 IonicContact CZ-OE2 3.82Å; R279-E558 IonicContact NE-OE1 2.96Å; R279-E558 PolarHBondContact NE-OE1 2.81Å; R279-E558 IonicContact NH2-OE1 2.7Å; R279-E558 PolarHBondContact NH2-OE1 3.17Å; R279-E558 IonicContact NH2-OE2 3.53Å; R279-E558 PolarHBondContact NH2-OE2 2.86Å; D555-E558 HydrophobicContact CB-CB 4.45Å; D555-E558 PolarHBondContact OD1-N 2.88Å; E558-T560 PolarHBondContact O-N 2.8Å
559	N	92	Very high	94.2	Very high	66 Å²	66	47.4 Å²	47.4	35%	0.353	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.4	47.5	-175.7	-176.5	37.8	0	0	0	113.2	T518 Y554 D555	T518-N559 WeakPolarHBondContact CB-O 3.44Å; T518-N559 PolarHBondContact N-OD1 3.12Å; T518-N559 VanDerWaalsContact OG1-CG 3.27Å; T518-N559 PolarHBondContact OG1-ND2 3.43Å; T518-N559 VanDerWaalsContact OG1-ND2 3.09Å; T518-N559 PolarHBondContact OG1-O 2.87Å; T518-N559 PolarHBondContact OG1-OD1 2.93Å; Y554-N559 WeakPolarHBondContact CE2-OD1 3.29Å; Y554-N559 PolarHBondContact OH-OD1 2.73Å; D555-N559 WeakPolarHBondContact O-CA 3.09Å; D555-N559 PolarHBondContact O-N 2.88Å
560	T	95.8	Very high	94.1	Very high	50 Å²	50	50.7 Å²	50.7	31%	0.307	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	141.5	-175.6	46.3	0	0	0	0	112.8	Y554 D555 E558 W562	Y554-T560 WeakPolarHBondContact CA-O 3.25Å; D555-T560 PolarHBondContact N-O 3.49Å; D555-T560 PolarHBondContact O-N 3.47Å; E558-T560 PolarHBondContact O-N 2.8Å; T560-W562 PolarHBondContact OG1-NE1 3.21Å
561	W	97.8	Very high	93.9	Very high	16 Å²	16	54 Å²	54	6%	0.061	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	127.9	170.1	-75.8	93.3	0	0	0	110.9	V504 T518 M520 N521 I536 V538 E552 Y554	V504-W561 HydrophobicContact CG1-CZ2 4.28Å; V504-W561 HydrophobicContact CG2-CZ2 3.69Å; T518-W561 PolarHBondContact O-NE1 3.09Å; M520-W561 HydrophobicContact CB-CD2 4.44Å; M520-W561 HydrophobicContact CG-CD2 3.9Å; M520-W561 HydrophobicContact CG-CE3 4.18Å; M520-W561 HydrophobicContact CG-CH2 4.04Å; M520-W561 HydrophobicContact CG-CZ2 3.74Å; M520-W561 HydrophobicContact CG-CZ3 4.25Å; M520-W561 HydrophobicContact SD-CH2 4.41Å; N521-W561 WeakPolarHBondContact ND2-CB 3.24Å; N521-W561 PolarHBondContact ND2-O 3.17Å; N521-W561 VanDerWaalsContact ND2-O 3.15Å; I536-W561 HydrophobicContact CG2-CH2 4.29Å; V538-W561 HydrophobicContact CG1-CH2 3.87Å; V538-W561 HydrophobicContact CG1-CZ3 4.08Å; V538-W561 HydrophobicContact CG2-CH2 4.25Å; V538-W561 HydrophobicContact CG2-CZ3 3.73Å; E552-W561 HydrophobicContact CB-CE3 3.9Å; E552-W561 HydrophobicContact CB-CZ3 4.28Å; Y554-W561 AromaticContact CD2-CD1 3.72Å; Y554-W561 HydrophobicContact CD2-CD2 4.12Å; Y554-W561 AromaticContact CD2-CE2 3.76Å; Y554-W561 HydrophobicContact CD2-CG 4.12Å; Y554-W561 HydrophobicContact CD2-CZ2 4.33Å; Y554-W561 AromaticContact CD2-NE1 3.49Å; Y554-W561 HydrophobicContact CG-CD2 4.35Å; Y554-W561 AromaticContact CG-CE2 3.96Å; Y554-W561 HydrophobicContact CG-CZ2 4.11Å
562	W	96.3	Very high	93.8	Very high	152 Å²	152	58 Å²	58	58%	0.576	27%	0.273	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.7	115.3	177.7	-66.6	80.9	0	0	0	109.7	E552 S553 T560 H564	E552-W562 CarbonylContact C-O 3.6Å; E552-W562 VanDerWaalsContact CA-O 3.25Å; E552-W562 WeakPolarHBondContact CA-O 3.23Å; S553-W562 PolarHBondContact N-O 2.88Å; S553-W562 PolarHBondContact O-N 2.84Å; T560-W562 PolarHBondContact OG1-NE1 3.21Å; W562-H564 PolarHBondContact O-CD2 2.81Å
563	L	96.5	Very high	93.8	Very high	50 Å²	50	58 Å²	58	26%	0.262	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	120	172.2	177.1	65.5	0	0	0	109.7	N521 T550 E552 E565	N521-L563 HydrophobicContact CB-CB 4.37Å; T550-L563 HydrophobicContact CG2-CD1 4.13Å; E552-L563 HydrophobicContact CG-CB 4.07Å; E552-L563 HydrophobicContact CG-CD1 3.5Å; E552-L563 VanDerWaalsContact CG-CD1 3.5Å; E552-L563 HydrophobicContact CG-CG 4.39Å; L563-E565 VanDerWaalsContact C-N 3.3Å; L563-E565 HydrophobicContact CD2-CG 3.71Å; L563-E565 HydrophobicContact CG-CG 3.78Å; L563-E565 PolarHBondContact O-N 2.8Å; L563-E565 VanDerWaalsContact O-N 3.08Å
564	H	95	Very high	93.8	Very high	34 Å²	34	58.2 Å²	58.2	16%	0.157	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	70.5	-179.8	-58.1	-82.9	0	0	0	109.1	V551 S553 W562 E566 S567	V551-H564 HydrophobicContact CG1-CB 4.03Å; V551-H564 PolarHBondContact O-N 2.9Å; V551-H564 VanDerWaalsContact O-N 3.11Å; S553-H564 PolarHBondContact OG-NE2 3.13Å; W562-H564 PolarHBondContact O-CD2 2.81Å; H564-E566 PolarHBondContact O-N 2.91Å; H564-S567 CarbonylContact O-C 3.59Å; H564-S567 PolarHBondContact O-N 3.13Å
565	E	89.5	Confident	93.7	Very high	129 Å²	129	58.3 Å²	58.3	60%	0.603	28%	0.275	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-56	-28.7	-171.5	-67.8	-169.1	163.8	0	0	114.6	L563 R568	L563-E565 VanDerWaalsContact C-N 3.3Å; L563-E565 HydrophobicContact CD2-CG 3.71Å; L563-E565 HydrophobicContact CG-CG 3.78Å; L563-E565 PolarHBondContact O-N 2.8Å; L563-E565 VanDerWaalsContact O-N 3.08Å; E565-R568 PolarHBondContact O-NE 3.05Å
566	E	89.9	Confident	93.9	Very high	203 Å²	203	58 Å²	58	95%	0.949	27%	0.274	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.7	-12.2	177.3	-59.3	-175.2	163.4	0	0	113.4	H564	H564-E566 PolarHBondContact O-N 2.91Å
567	S	94.6	Very high	94.2	Very high	4 Å²	4	56.9 Å²	56.9	3%	0.028	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	108.5	179.2	-172.4	0	0	0	0	110.7	F312 L317 W319 H564	F312-S567 WeakPolarHBondContact CE2-OG 3.38Å; L317-S567 WeakPolarHBondContact O-CB 3.43Å; L317-S567 PolarHBondContact O-OG 3.11Å; W319-S567 PolarHBondContact NE1-OG 3.32Å; W319-S567 VanDerWaalsContact NE1-OG 3.13Å; H564-S567 CarbonylContact O-C 3.59Å; H564-S567 PolarHBondContact O-N 3.13Å
568	R	95.7	Very high	94.7	Very high	112 Å²	112	56.7 Å²	56.7	42%	0.423	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	142.8	-175.9	-71.9	162.3	178.9	-86.5	-8.4	109.7	W319 D549 T550 E565	W319-R568 VanDerWaalsContact CD1-C 3.47Å; D549-R568 HydrophobicContact CB-CB 4.41Å; D549-R568 IonicContact OD1-NH1 3.76Å; D549-R568 PolarHBondContact OD1-NH1 2.8Å; D549-R568 WeakPolarHBondContact OD2-CB 3.26Å; D549-R568 WeakPolarHBondContact OD2-CD 3.24Å; D549-R568 VanDerWaalsContact OD2-CG 3.25Å; D549-R568 WeakPolarHBondContact OD2-CG 3.39Å; D549-R568 IonicContact OD2-CZ 3.52Å; D549-R568 IonicContact OD2-NE 3.14Å; D549-R568 IonicContact OD2-NH1 2.67Å; D549-R568 PolarHBondContact OD2-NH1 2.96Å; T550-R568 HydrophobicContact CG2-CG 4.32Å; E565-R568 PolarHBondContact O-NE 3.05Å
569	M	96.9	Very high	95.1	Very high	8 Å²	8	54 Å²	54	4%	0.039	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	155	165.9	-62.7	-174.4	-53.3	0	0	110	V295 E310 W319 A539 A540 L548 D549 H571 R573	V295-M569 HydrophobicContact CB-SD 4.22Å; V295-M569 HydrophobicContact CG1-SD 3.93Å; V295-M569 HydrophobicContact CG2-SD 4.14Å; E310-M569 VanDerWaalsContact OE2-CA 3.31Å; E310-M569 WeakPolarHBondContact OE2-CA 3.45Å; W319-M569 HydrophobicContact CD2-CG 3.92Å; W319-M569 HydrophobicContact CE3-CG 3.87Å; W319-M569 HydrophobicContact CH2-CG 3.53Å; W319-M569 HydrophobicContact CH2-SD 3.92Å; W319-M569 HydrophobicContact CZ2-CG 3.59Å; W319-M569 HydrophobicContact CZ2-SD 4.45Å; W319-M569 HydrophobicContact CZ3-CG 3.68Å; W319-M569 HydrophobicContact CZ3-SD 4.12Å; A539-M569 HydrophobicContact CB-SD 4.33Å; A540-M569 HydrophobicContact CB-CE 3.66Å; A540-M569 HydrophobicContact CB-SD 4.35Å; L548-M569 VanDerWaalsContact O-CE 3.31Å; L548-M569 WeakPolarHBondContact O-CE 2.99Å; D549-M569 WeakPolarHBondContact O-CB 3.43Å; D549-M569 WeakPolarHBondContact O-CG 3.35Å; D549-M569 PolarHBondContact O-N 2.7Å; M569-H571 WeakPolarHBondContact CE-O 3.16Å; M569-H571 PolarHBondContact O-N 2.75Å; M569-R573 HydrophobicContact CE-CG 3.97Å
570	N	94.5	Very high	95.3	Very high	95 Å²	95	51.7 Å²	51.7	51%	0.508	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	-21.1	174.3	-70.5	-9.5	0	0	0	112.3	E310 E321	E310-N570 PolarHBondContact OE2-N 3.29Å; E321-N570 PolarHBondContact OE1-ND2 3.39Å
571	H	93.5	Very high	95.1	Very high	78 Å²	78	49.3 Å²	49.3	36%	0.361	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	134.2	-176.6	-56.3	-80.1	0	0	0	112.5	E310 M569	E310-H571 IonicContact OE1-CD2 3.82Å; M569-H571 WeakPolarHBondContact CE-O 3.16Å; M569-H571 PolarHBondContact O-N 2.75Å
572	E	95.8	Very high	94.4	Very high	85 Å²	85	52.2 Å²	52.2	40%	0.397	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	122.5	163.2	-72.1	-177.3	-167.4	0	0	109.4	S301 L547 D549	S301-E572 PolarHBondContact N-O 2.79Å; L547-E572 HydrophobicContact CB-CB 3.94Å; D549-E572 HydrophobicContact CB-CG 3.98Å
573	R	96.4	Very high	93.4	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	163.1	-176.1	45.9	-178.8	170.9	167.2	-8.2	114.7	V295 G297 F299 S308 E310 A540 G541 L548 M569 T576	V295-R573 PolarHBondContact O-NH2 3.25Å; G297-R573 WeakPolarHBondContact O-CD 3.41Å; G297-R573 PolarHBondContact O-NH1 3.32Å; F299-R573 VanDerWaalsContact O-CA 3.23Å; F299-R573 WeakPolarHBondContact O-CA 3.49Å; F299-R573 WeakPolarHBondContact O-CB 3.49Å; S308-R573 PolarHBondContact O-NH1 3.3Å; S308-R573 PolarHBondContact OG-NH1 3.26Å; E310-R573 VanDerWaalsContact CG-NH2 3.31Å; E310-R573 IonicContact OE1-CZ 3.86Å; E310-R573 IonicContact OE1-NE 3.38Å; E310-R573 IonicContact OE1-NH2 2.79Å; E310-R573 PolarHBondContact OE1-NH2 2.9Å; A540-R573 HydrophobicContact CB-CG 4.36Å; A540-R573 WeakPolarHBondContact CB-O 3.41Å; G541-R573 PolarHBondContact N-O 2.87Å; L548-R573 PolarHBondContact O-N 2.89Å; L548-R573 VanDerWaalsContact O-N 3.11Å; M569-R573 HydrophobicContact CE-CG 3.97Å; R573-T576 HydrophobicContact CB-CG2 4.2Å; R573-T576 HydrophobicContact CG-CG2 3.81Å
574	C	96.5	Very high	91.6	Very high	6 Å²	6	46.4 Å²	46.4	4%	0.041	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	-176.1	166.3	70.8	0	0	0	0	110.4	G298 F299 L547 T576	G298-C574 CarbonylContact C-O 3.59Å; G298-C574 WeakPolarHBondContact CA-O 3.25Å; F299-C574 PolarHBondContact N-O 3.5Å; F299-C574 PolarHBondContact O-N 3.5Å; F299-C574 VanDerWaalsContact O-N 3.16Å; L547-C574 HydrophobicContact CD2-CB 3.74Å; L547-C574 WeakPolarHBondContact CD2-SG 3.46Å; C574-T576 PolarHBondContact O-N 2.7Å; C574-T576 VanDerWaalsContact O-N 3.11Å
575	D	95	Very high	89.4	Confident	7 Å²	7	47.4 Å²	47.4	4%	0.037	23%	0.23	C	C	.	.	S	Bend	trans	59.4	22.9	178.2	-60.8	-50.2	0	0	0	114.7	R330 Y331 Y526	R330-D575 HydrophobicContact CB-CB 4.18Å; R330-D575 IonicContact CZ-OD2 3.26Å; R330-D575 IonicContact NE-OD2 2.64Å; R330-D575 PolarHBondContact NE-OD2 3.16Å; R330-D575 IonicContact NH2-OD2 2.79Å; R330-D575 PolarHBondContact NH2-OD2 2.83Å; Y331-D575 HydrophobicContact CD1-CB 3.77Å; Y331-D575 WeakPolarHBondContact CD1-OD1 3Å; Y331-D575 HydrophobicContact CE1-CB 4.24Å; Y331-D575 WeakPolarHBondContact CE1-OD1 3.23Å; Y331-D575 VanDerWaalsContact CE1-OD2 3.23Å; Y331-D575 WeakPolarHBondContact CE1-OD2 3.37Å; Y331-D575 PolarHBondContact N-O 2.86Å; Y331-D575 VanDerWaalsContact N-O 3.13Å; Y526-D575 WeakPolarHBondContact CB-OD1 3.42Å; Y526-D575 VanDerWaalsContact CD1-OD1 3.26Å; Y526-D575 WeakPolarHBondContact CD1-OD1 3.42Å; Y526-D575 PolarHBondContact O-N 2.88Å
576	T	96.1	Very high	87.1	Confident	12 Å²	12	42.7 Å²	42.7	7%	0.074	21%	0.21	C	C	.	.			trans	-79	140.9	-174.3	55.7	0	0	0	0	112.1	V295 I296 A540 R573 C574	V295-T576 HydrophobicContact CG1-CG2 3.72Å; I296-T576 WeakPolarHBondContact O-CA 3.44Å; A540-T576 HydrophobicContact CB-CG2 3.85Å; R573-T576 HydrophobicContact CB-CG2 4.2Å; R573-T576 HydrophobicContact CG-CG2 3.81Å; C574-T576 PolarHBondContact O-N 2.7Å; C574-T576 VanDerWaalsContact O-N 3.11Å
577	G	96.4	Very high	84.5	Confident	2 Å²	2	37.1 Å²	37.1	2%	0.021	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	136.5	159.1	0	0	0	0	0	109.5	I296 V332	I296-G577 WeakPolarHBondContact CB-O 3.47Å; I296-G577 PolarHBondContact N-O 2.78Å; I296-G577 PolarHBondContact O-N 3.27Å; V332-G577 WeakPolarHBondContact O-CA 3.47Å; V332-G577 PolarHBondContact O-N 2.94Å
578	M	97	Very high	81.6	Confident	18 Å²	18	39.8 Å²	39.8	9%	0.089	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	134.8	176.6	-162.4	172.9	86.9	0	0	111	L293 V294 V295 G528 A529 C530 Y537 A539	L293-M578 HydrophobicContact CD1-CE 3.9Å; L293-M578 HydrophobicContact CD1-CG 3.79Å; L293-M578 HydrophobicContact CD1-SD 3.95Å; L293-M578 HydrophobicContact CD2-CE 4.46Å; L293-M578 HydrophobicContact CD2-SD 3.93Å; L293-M578 HydrophobicContact CG-CG 4.16Å; L293-M578 HydrophobicContact CG-SD 4.18Å; V294-M578 WeakPolarHBondContact O-CA 3.38Å; V295-M578 HydrophobicContact CG2-CG 4.07Å; V295-M578 HydrophobicContact CG2-SD 4.13Å; G528-M578 VanDerWaalsContact O-CE 3.3Å; G528-M578 WeakPolarHBondContact O-CE 3.43Å; A529-M578 VanDerWaalsContact C-CE 3.47Å; A529-M578 VanDerWaalsContact CA-CE 3.48Å; C530-M578 HydrophobicContact CB-CE 3.94Å; C530-M578 VanDerWaalsContact SG-CE 3.55Å; Y537-M578 WeakPolarHBondContact O-CE 3.41Å; A539-M578 HydrophobicContact CB-SD 3.97Å
579	C	97.1	Very high	78.4	Confident	6 Å²	6	37.7 Å²	37.7	4%	0.041	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	169.3	177.8	65.1	0	0	0	0	111.5	V294	V294-C579 PolarHBondContact N-O 3.34Å; V294-C579 PolarHBondContact O-N 3.07Å; V294-C579 VanDerWaalsContact O-N 3.09Å
580	V	94.6	Very high	75.3	Confident	18 Å²	18	45.2 Å²	45.2	11%	0.109	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	125.6	175.8	166.3	0	0	0	0	110.3	E291 Y292 L293 S336 C530 L532	E291-V580 HydrophobicContact CB-CG1 4.19Å; Y292-V580 CarbonylContact O-C 3.5Å; Y292-V580 VanDerWaalsContact O-CA 3.29Å; Y292-V580 WeakPolarHBondContact O-CA 3.25Å; L293-V580 HydrophobicContact CD1-CG2 3.73Å; S336-V580 WeakPolarHBondContact CB-O 3.36Å; S336-V580 PolarHBondContact OG-O 3.01Å; C530-V580 HydrophobicContact CB-CG2 3.63Å; L532-V580 HydrophobicContact CB-CG2 4.14Å; L532-V580 HydrophobicContact CD1-CG1 3.78Å; L532-V580 HydrophobicContact CD1-CG2 4.09Å
581	V	92	Very high	72.2	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	138.2	-177.1	-178.8	0	0	0	0	109.7	E291 Y292 V294 G338 V341 I361 F583	E291-V581 WeakPolarHBondContact CA-O 3.5Å; Y292-V581 PolarHBondContact N-O 3.34Å; Y292-V581 PolarHBondContact O-N 3.11Å; V294-V581 HydrophobicContact CB-CG2 4.48Å; V294-V581 HydrophobicContact CG2-CB 4.32Å; V294-V581 HydrophobicContact CG2-CG2 3.61Å; G338-V581 WeakPolarHBondContact O-CG1 3.48Å; V341-V581 HydrophobicContact CG2-CG2 3.3Å; I361-V581 HydrophobicContact CD1-CB 4.32Å; I361-V581 HydrophobicContact CD1-CG1 4.11Å; I361-V581 HydrophobicContact CD1-CG2 3.87Å; V581-F583 HydrophobicContact CG1-CD2 4.4Å; V581-F583 HydrophobicContact CG1-CE2 4.02Å; V581-F583 HydrophobicContact CG1-CZ 4.46Å
582	R	82.7	Confident	69.1	Low	77 Å²	77	48.9 Å²	48.9	29%	0.291	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	118.2	-178.6	-69.7	-173.7	171.7	153.4	3.3	110	D201 E291 G338 T339	D201-R582 IonicContact OD1-NH1 2.69Å; D201-R582 PolarHBondContact OD1-NH1 3.06Å; E291-R582 HydrophobicContact CG-CG 4.25Å; E291-R582 IonicContact OE1-CZ 3.75Å; E291-R582 VanDerWaalsContact OE1-CZ 3.23Å; E291-R582 IonicContact OE1-NE 3.35Å; E291-R582 PolarHBondContact OE1-NE 2.92Å; E291-R582 IonicContact OE1-NH2 3.53Å; E291-R582 PolarHBondContact OE1-NH2 2.89Å; G338-R582 CarbonylContact C-O 3.5Å; G338-R582 VanDerWaalsContact C-O 3.3Å; G338-R582 PolarHBondContact O-N 2.76Å; T339-R582 WeakPolarHBondContact CG2-O 3.37Å
583	F	76.4	Confident	65.7	Low	24 Å²	24	48.8 Å²	48.8	11%	0.105	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	125.8	172.2	-63.8	-102.9	0	0	0	110.6	N290 Y292 M311 T339 I361 A362 V581 T585	N290-F583 HydrophobicContact CB-CB 3.88Å; N290-F583 PolarHBondContact O-N 2.68Å; Y292-F583 AromaticContact CD2-CD2 3.53Å; Y292-F583 HydrophobicContact CD2-CD2 3.53Å; Y292-F583 AromaticContact CD2-CE2 3.5Å; Y292-F583 HydrophobicContact CD2-CE2 3.5Å; Y292-F583 VanDerWaalsContact CD2-CE2 3.5Å; Y292-F583 AromaticContact CE2-CD2 3.6Å; Y292-F583 HydrophobicContact CE2-CD2 3.6Å; Y292-F583 AromaticContact CE2-CE2 3.79Å; Y292-F583 HydrophobicContact CE2-CE2 3.79Å; Y292-F583 HydrophobicContact CG-CE2 4.36Å; M311-F583 HydrophobicContact SD-CE2 4.25Å; M311-F583 HydrophobicContact SD-CZ 4.39Å; T339-F583 HydrophobicContact CG2-CB 4.4Å; T339-F583 HydrophobicContact CG2-CD1 3.75Å; T339-F583 HydrophobicContact CG2-CE1 4.27Å; T339-F583 HydrophobicContact CG2-CG 4.1Å; I361-F583 HydrophobicContact CB-CE1 4.21Å; I361-F583 HydrophobicContact CB-CZ 3.79Å; I361-F583 HydrophobicContact CG2-CE1 4.28Å; I361-F583 HydrophobicContact CG2-CZ 3.66Å; A362-F583 HydrophobicContact CB-CD1 4.39Å; A362-F583 HydrophobicContact CB-CE1 4.27Å; V581-F583 HydrophobicContact CG1-CD2 4.4Å; V581-F583 HydrophobicContact CG1-CE2 4.02Å; V581-F583 HydrophobicContact CG1-CZ 4.46Å; F583-T585 PolarHBondContact O-N 3.13Å
584	P	58.7	Low	62.3	Low	57 Å²	57	54.2 Å²	54.2	37%	0.37	31%	0.309	S	S	.	.			trans	-65.4	119	166.2	27.9	-32.2	0	0	0	108.5	C586 S587	P584-C586 PolarHBondContact O-N 2.69Å; P584-S587 PolarHBondContact O-N 2.86Å
585	T	49	Very low	58.9	Low	55 Å²	55	57.8 Å²	57.8	34%	0.337	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	19.1	-167.7	13.2	0	0	0	0	115.9	C170 N290 F583	C170-T585 VanDerWaalsContact SG-C 3.55Å; C170-T585 WeakPolarHBondContact SG-CB 3.04Å; C170-T585 PolarHBondContact SG-OG1 2.97Å; N290-T585 HydrophobicContact CB-CG2 3.89Å; N290-T585 VanDerWaalsContact CG-CG2 3.41Å; N290-T585 VanDerWaalsContact ND2-CG2 3.32Å; N290-T585 WeakPolarHBondContact ND2-CG2 3.09Å; F583-T585 PolarHBondContact O-N 3.13Å
586	C	41.1	Very low	55.6	Low	29 Å²	29	63.4 Å²	63.4	20%	0.196	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.5	14.3	178.7	-94.8	0	0	0	0	115.5	F167 C170 P584 V588	F167-C586 WeakPolarHBondContact CA-SG 3.38Å; F167-C586 HydrophobicContact CD2-CB 3.88Å; F167-C586 VanDerWaalsContact CD2-SG 3.52Å; F167-C586 HydrophobicContact CE2-CB 4.33Å; C170-C586 HydrophobicContact CB-CB 4.2Å; P584-C586 PolarHBondContact O-N 2.69Å; C586-V588 VanDerWaalsContact C-N 3.35Å; C586-V588 PolarHBondContact O-N 2.92Å
587	S	35.1	Very low	52.3	Low	86 Å²	86	68.7 Å²	68.7	60%	0.601	39%	0.392	S	S	*	.			trans	-64.8	95.3	158.7	57.4	0	0	0	0	109.8	P584 S589	P584-S587 PolarHBondContact O-N 2.86Å; S587-S589 PolarHBondContact O-N 2.72Å
588	V	32.6	Very low	49	Very low	61 Å²	61	74.8 Å²	74.8	37%	0.37	43%	0.43	S	S	.	.			trans	-60.5	117.1	174.8	174.9	0	0	0	0	109.2	F163 C586 Q590 L593	F163-V588 HydrophobicContact CE2-CG2 3.67Å; F163-V588 HydrophobicContact CZ-CG2 3.97Å; C586-V588 VanDerWaalsContact C-N 3.35Å; C586-V588 PolarHBondContact O-N 2.92Å; V588-Q590 PolarHBondContact O-N 2.92Å; V588-Q590 VanDerWaalsContact O-N 3.11Å; V588-L593 HydrophobicContact CG1-CD1 3.89Å; V588-L593 HydrophobicContact CG1-CG 4.12Å
589	S	30	Very low	45.7	Very low	67 Å²	67	78.2 Å²	78.2	47%	0.469	46%	0.455	S	S	.	.			trans	-64.1	110.8	164.6	42.7	0	0	0	0	108.2	S587 D591 T592	S587-S589 PolarHBondContact O-N 2.72Å; S589-D591 PolarHBondContact O-N 3.13Å; S589-T592 PolarHBondContact O-N 2.86Å; S589-T592 PolarHBondContact O-OG1 2.89Å; S589-T592 PolarHBondContact OG-OG1 3.11Å
590	Q	31.7	Very low	42.4	Very low	167 Å²	167	88.6 Å²	88.6	78%	0.78	49%	0.493	S	S	*	.	G	3₁₀ helix	trans	-56.4	-25.4	-173.9	-68	-175.1	-10.2	0	0	112.5	V588 T592 L593	V588-Q590 PolarHBondContact O-N 2.92Å; V588-Q590 VanDerWaalsContact O-N 3.11Å; Q590-T592 PolarHBondContact O-N 2.93Å; Q590-T592 VanDerWaalsContact O-N 3.15Å; Q590-L593 PolarHBondContact O-N 2.67Å
591	D	29	Very low	39.3	Very low	144 Å²	144	95 Å²	95	77%	0.77	53%	0.527	S	S	*	.	G	3₁₀ helix	trans	-56.1	-24.5	173.2	-55.1	-58.5	0	0	0	114.8	S589	S589-D591 PolarHBondContact O-N 3.13Å
592	T	27.7	Very low	36.1	Very low	105 Å²	105	100.9 Å²	100.9	64%	0.644	56%	0.563	S	S	*	*	G	3₁₀ helix	trans	-89.7	-14.1	176.9	39.7	0	0	0	0	114.6	S589 Q590 T594	S589-T592 PolarHBondContact O-N 2.86Å; S589-T592 PolarHBondContact O-OG1 2.89Å; S589-T592 PolarHBondContact OG-OG1 3.11Å; Q590-T592 PolarHBondContact O-N 2.93Å; Q590-T592 VanDerWaalsContact O-N 3.15Å; T592-T594 PolarHBondContact O-N 3.26Å
593	L	25.3	Very low	33.5	Very low	83 Å²	83	104.2 Å²	104.2	44%	0.435	59%	0.585	S	S	.	*			trans	-98.6	61.2	170	-72	180	0	0	0	110.8	L137 V588 Q590 P595	L137-L593 HydrophobicContact CD1-CD2 4.35Å; V588-L593 HydrophobicContact CG1-CD1 3.89Å; V588-L593 HydrophobicContact CG1-CG 4.12Å; Q590-L593 PolarHBondContact O-N 2.67Å; L593-P595 WeakPolarHBondContact O-CD 3.24Å
594	T	23.6	Very low	31.1	Very low	115 Å²	115	109.9 Å²	109.9	71%	0.706	62%	0.616	S	S	*	*			trans	-79.4	105.7	155.3	39.7	0	0	0	0	108.2	T592 V596	T592-T594 PolarHBondContact O-N 3.26Å; T594-V596 PolarHBondContact O-N 2.82Å
595	P	26.1	Very low	29.7	Very low	80 Å²	80	113.2 Å²	113.2	52%	0.519	64%	0.641	S	S	.	*			trans	-59.7	142.7	167.6	24.8	-32.1	0	0	0	108.5	L593 I597	L593-P595 WeakPolarHBondContact O-CD 3.24Å; P595-I597 HydrophobicContact CB-CG1 4.35Å; P595-I597 HydrophobicContact CG-CD1 4.21Å; P595-I597 HydrophobicContact CG-CG1 3.94Å; P595-I597 PolarHBondContact O-N 2.94Å
596	V	26.7	Very low	28.6	Very low	126 Å²	126	115.2 Å²	115.2	76%	0.764	66%	0.657	S	S	*	*			trans	-71	83.5	171.4	-177.4	0	0	0	0	107.8	T594 T598	T594-V596 PolarHBondContact O-N 2.82Å; V596-T598 VanDerWaalsContact C-N 3.33Å; V596-T598 HydrophobicContact CG1-CG2 4.26Å; V596-T598 PolarHBondContact O-N 3.24Å
597	I	26.6	Very low	27.9	Very low	122 Å²	122	120.4 Å²	120.4	63%	0.626	68%	0.683	S	S	*	*			trans	-69.9	91.9	179.2	-62	175.6	0	0	0	108.2	P595 S599	P595-I597 HydrophobicContact CB-CG1 4.35Å; P595-I597 HydrophobicContact CG-CD1 4.21Å; P595-I597 HydrophobicContact CG-CG1 3.94Å; P595-I597 PolarHBondContact O-N 2.94Å; I597-S599 WeakPolarHBondContact CG2-OG 3.5Å; I597-S599 PolarHBondContact O-N 3.32Å
598	T	25.4	Very low	27.7	Very low	131 Å²	131	124.1 Å²	124.1	80%	0.804	70%	0.695	S	S	*	*			trans	-72.2	50.2	170	47.9	0	0	0	0	111.8	V596	V596-T598 VanDerWaalsContact C-N 3.33Å; V596-T598 HydrophobicContact CG1-CG2 4.26Å; V596-T598 PolarHBondContact O-N 3.24Å
599	S	28.3	Very low	27.3	Very low	89 Å²	89	129.9 Å²	129.9	62%	0.622	72%	0.717	S	S	*	*			trans	-157.5	82.6	169.9	64	0	0	0	0	111.4	I597 N601	I597-S599 WeakPolarHBondContact CG2-OG 3.5Å; I597-S599 PolarHBondContact O-N 3.32Å; S599-N601 PolarHBondContact O-N 2.82Å
600	R	27	Very low	27.3	Very low	224 Å²	224	132.3 Å²	132.3	85%	0.845	73%	0.734	S	S	*	*			trans	-70.9	118.9	154.1	-78.8	-178.9	174.1	165.5	-1.1	108.1
601	N	30	Very low	27.2	Very low	153 Å²	153	129.5 Å²	129.5	82%	0.818	73%	0.733	S	S	*	*			trans	-168.3	108.9	141	-103.4	-49.6	0	0	0	111.2	S599	S599-N601 PolarHBondContact O-N 2.82Å
602	V	25.4	Very low	27.2	Very low	124 Å²	124	128.9 Å²	128.9	75%	0.752	74%	0.737	S	S	*	*			trans	-79.2	133.6	156.7	-176.5	0	0	0	0	105.3
603	I	28.7	Very low	27.3	Very low	147 Å²	147	129.2 Å²	129.2	75%	0.754	74%	0.744	S	S	*	*				-169.5	130.8	99.4	-86.7	161	0	0	0	109.6
604	N	24.6	Very low	27.2	Very low	142 Å²	142	130.3 Å²	130.3	76%	0.759	77%	0.765	S	S	*	*			trans	23.5	115.1	151.6	-53.8	-21.6	0	0	0	120
605	S	29	Very low	27.5	Very low	128 Å²	128	131.6 Å²	131.6	90%	0.895	77%	0.772	S	S	*	*				-128.1	142.9	115.1	60.9	0	0	0	0	108.9
606	S	25.8	Very low	27.3	Very low	97 Å²	97	132.3 Å²	132.3	68%	0.678	78%	0.779	S	S	*	*			trans	-112.9	157	-167.6	50.8	0	0	0	0	113.1
607	N	26.4	Very low	27.1	Very low	138 Å²	138	131.6 Å²	131.6	74%	0.738	78%	0.78	S	S	*	*			trans	69.9	110.2	171.5	-51.8	-25.6	0	0	0	116.8
608	I	30.9	Very low	27.1	Very low	164 Å²	164	130.2 Å²	130.2	84%	0.841	79%	0.786	S	S	*	*				-152.1	140.1	102.5	-95.8	152.7	0	0	0	108.4
609	H	24.8	Very low	26.9	Very low	181 Å²	181	129.5 Å²	129.5	84%	0.838	79%	0.786	S	S	*	*			trans	-90.5	136.6	173.6	-71.5	-89	0	0	0	111.2
610	S	31.3	Very low	26.8	Very low	119 Å²	119	130.3 Å²	130.3	83%	0.832	79%	0.787	S	S	*	*			trans	-159.1	138.3	145	45.8	0	0	0	0	110.1
611	S	29.6	Very low	26.6	Very low	107 Å²	107	127 Å²	127	75%	0.748	79%	0.787	S	S	*	*			trans	-87.8	159.9	-172.5	30.2	0	0	0	0	113.5
612	P	28.7	Very low	26.3	Very low	131 Å²	131	129 Å²	129	85%	0.851	79%	0.788	S	S	*	*			trans	-71.5	150.8	178.6	30.8	-35.9	0	0	0	112.2
613	S	29.2	Very low	26.2	Very low	113 Å²	113	131.5 Å²	131.5	79%	0.79	79%	0.791	S	S	*	*			trans	-121.6	135.6	170.2	-63.3	0	0	0	0	109.1
614	A	23	Very low	25.9	Very low	106 Å²	106	129.6 Å²	129.6	88%	0.876	79%	0.791	S	S	*	*			trans	-69.4	143.8	178.4	0	0	0	0	0	111.7
615	V	29.2	Very low	25.9	Very low	141 Å²	141	127.5 Å²	127.5	86%	0.855	79%	0.793	S	S	*	*			trans	-132.9	122.5	163.5	-176.6	0	0	0	0	107.6
616	S	22	Very low	25.6	Very low	96 Å²	96	128.6 Å²	128.6	67%	0.671	79%	0.788	S	S	*	*			trans	-82.6	166	176.2	58.8	0	0	0	0	111.9
617	S	22.8	Very low	25.5	Very low	111 Å²	111	128.3 Å²	128.3	78%	0.776	79%	0.786	S	S	*	*			trans	53.8	89.5	151.6	58.2	0	0	0	0	117.2
618	A	26.1	Very low	25.5	Very low	92 Å²	92	130.6 Å²	130.6	76%	0.76	79%	0.792	S	S	*	*			trans	-133.1	81.7	151.5	0	0	0	0	0	109.2	V620	A618-V620 PolarHBondContact O-N 3.46Å
619	S	22.1	Very low	25.2	Very low	116 Å²	116	127.8 Å²	127.8	81%	0.811	79%	0.787	S	S	*	*			trans	-70.8	105.9	175.5	49.8	0	0	0	0	109.8
620	V	26.3	Very low	25	Very low	106 Å²	106	124.7 Å²	124.7	64%	0.642	79%	0.786	S	S	*	*			trans	-96.6	103.8	177.2	-173.2	0	0	0	0	109.3	A618 F622	A618-V620 PolarHBondContact O-N 3.46Å; V620-F622 HydrophobicContact CG1-CD2 3.65Å; V620-F622 HydrophobicContact CG1-CE2 3.54Å; V620-F622 HydrophobicContact CG1-CZ 4.43Å; V620-F622 PolarHBondContact O-N 2.75Å; V620-F622 VanDerWaalsContact O-N 3.17Å
621	N	22.5	Very low	24.8	Very low	156 Å²	156	125.1 Å²	125.1	83%	0.834	78%	0.784	S	S	*	*			trans	-65.9	110.6	165.9	-69.9	-13	0	0	0	108.7
622	F	24.6	Very low	24.5	Very low	194 Å²	194	130.7 Å²	130.7	85%	0.851	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-96.5	120.1	162	-95.2	-73.4	0	0	0	110.1	V620	V620-F622 HydrophobicContact CG1-CD2 3.65Å; V620-F622 HydrophobicContact CG1-CE2 3.54Å; V620-F622 HydrophobicContact CG1-CZ 4.43Å; V620-F622 PolarHBondContact O-N 2.75Å; V620-F622 VanDerWaalsContact O-N 3.17Å
623	H	23.6	Very low	24.4	Very low	176 Å²	176	131.6 Å²	131.6	82%	0.815	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-70.3	140.2	174	-120.5	-77.4	0	0	0	110	A625	H623-A625 PolarHBondContact O-N 2.71Å
624	S	22.6	Very low	24.1	Very low	107 Å²	107	132.8 Å²	132.8	75%	0.748	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-58.5	133	166.6	46	0	0	0	0	110.8
625	A	23.8	Very low	24.4	Very low	98 Å²	98	134.8 Å²	134.8	81%	0.81	77%	0.774	S	S	*	*			trans	-130.1	44.5	177.7	0	0	0	0	0	111.2	H623 S627	H623-A625 PolarHBondContact O-N 2.71Å; A625-S627 PolarHBondContact O-N 2.79Å
626	I	22.6	Very low	24.1	Very low	152 Å²	152	134.5 Å²	134.5	78%	0.779	77%	0.767	S	S	*	*			trans	-79.3	108.7	168.6	-61	175.1	0	0	0	108.2
627	S	23.9	Very low	24.4	Very low	91 Å²	91	139.6 Å²	139.6	64%	0.636	78%	0.778	S	S	*	*			trans	172	149.6	134.7	51.2	0	0	0	0	111.7	A625	A625-S627 PolarHBondContact O-N 2.79Å
628	Q	25.2	Very low	24.5	Very low	185 Å²	185	140.5 Å²	140.5	86%	0.864	77%	0.774	S	S	*	*			trans	70.6	128.9	173.2	-54.8	173.6	58.4	0	0	114.5
629	S	25.9	Very low	24.7	Very low	105 Å²	105	143 Å²	143	73%	0.734	78%	0.78	S	S	*	*			cis	-155.4	134.4	0.7	54	0	0	0	0	112.6
630	S	20.9	Very low	24.8	Very low	117 Å²	117	144.4 Å²	144.4	82%	0.818	78%	0.779	S	S	*	*			trans	-111.9	111.2	162.5	47.1	0	0	0	0	109.8
631	T	27.1	Very low	24.9	Very low	128 Å²	128	150.3 Å²	150.3	79%	0.785	79%	0.789	S	S	*	*			trans	-138.2	121.4	173	48.9	0	0	0	0	110.1
632	W	23	Very low	25.1	Very low	223 Å²	223	146.8 Å²	146.8	85%	0.845	78%	0.782	S	S	*	*			trans	-80.3	167	177.2	-80.5	72.5	0	0	0	112.6
633	H	26.4	Very low	25.3	Very low	151 Å²	151	144.3 Å²	144.3	70%	0.699	78%	0.778	S	S	*	*			trans	85.1	113.4	160.1	-61.4	-64.1	0	0	0	120.8
634	L	23.5	Very low	25.3	Very low	137 Å²	137	143 Å²	143	72%	0.717	78%	0.776	S	S	*	*				54.6	101.5	122.4	-63.5	166.7	0	0	0	118.8
635	N	27.7	Very low	25.6	Very low	149 Å²	149	144.4 Å²	144.4	80%	0.797	78%	0.78	S	S	*	*				177.8	153.9	83.3	-94.7	-33.8	0	0	0	112.9
636	D	23.1	Very low	25.5	Very low	135 Å²	135	151.2 Å²	151.2	72%	0.722	79%	0.785	S	S	*	*			trans	-64.5	146.3	162.2	-69.5	-76.3	0	0	0	111.8
637	F	29	Very low	25.8	Very low	202 Å²	202	151.6 Å²	151.6	89%	0.886	79%	0.787	S	S	*	*				-171	148.1	105.5	-111.3	-77.9	0	0	0	113.3
638	N	24.3	Very low	25.7	Very low	130 Å²	130	154.5 Å²	154.5	70%	0.695	80%	0.795	S	S	*	*			trans	-68	145.4	176.9	-79.9	-87.6	0	0	0	113
639	T	30.4	Very low	25.9	Very low	146 Å²	146	152 Å²	152	90%	0.896	79%	0.793	S	S	*	*				-176.5	172.7	104.8	28.1	0	0	0	0	112.9
640	N	25.5	Very low	25.8	Very low	145 Å²	145	155.6 Å²	155.6	78%	0.775	80%	0.798	S	S	*	*			trans	-119.6	159.8	-159.8	-123	-70.5	0	0	0	113.3
641	R	26.5	Very low	26.1	Very low	230 Å²	230	158.2 Å²	158.2	87%	0.868	80%	0.801	S	S	*	*			trans	75	108.6	154.3	-74.2	177.4	173.8	177.2	-1.4	121.9
642	A	28.3	Very low	26.1	Very low	82 Å²	82	157.2 Å²	157.2	68%	0.678	80%	0.799	S	S	*	*				123.9	117.3	95	0	0	0	0	0	120.6
643	N	27.6	Very low	26.4	Very low	142 Å²	142	152.2 Å²	152.2	76%	0.759	79%	0.793	S	S	*	*			trans	73.7	107.3	135.4	-64.9	-8.3	0	0	0	123.4
644	N	25	Very low	26.6	Very low	147 Å²	147	148.2 Å²	148.2	79%	0.786	79%	0.793	S	S	*	*				58.9	112.3	124.3	-64	-23.8	0	0	0	122.1
645	V	27.2	Very low	27	Very low	138 Å²	138	149.5 Å²	149.5	84%	0.836	80%	0.795	S	S	*	*				-140.1	141.9	125.1	177.3	0	0	0	0	109.5	I647	V645-I647 HydrophobicContact CG1-CG1 4.44Å
646	R	22	Very low	27.2	Very low	240 Å²	240	147.5 Å²	147.5	91%	0.906	79%	0.793	S	S	*	*			trans	-106.6	135.1	163.9	-93.6	-178.2	169.9	173.4	-3.3	109.4
647	I	28.9	Very low	27.3	Very low	161 Å²	161	148.5 Å²	148.5	83%	0.826	80%	0.798	S	S	*	*			trans	-134.3	142.4	149.7	-62	-175.9	0	0	0	107.5	V645	V645-I647 HydrophobicContact CG1-CG1 4.44Å
648	N	22.9	Very low	27.6	Very low	151 Å²	151	143.9 Å²	143.9	81%	0.807	79%	0.788	S	S	*	*			trans	-134	141.5	-174.5	-147	31.4	0	0	0	108.8
649	T	27.9	Very low	27.9	Very low	132 Å²	132	143.2 Å²	143.2	81%	0.81	79%	0.794	S	S	*	*			trans	-161.8	131	156.8	-1.1	0	0	0	0	111
650	Q	25.3	Very low	27.9	Very low	181 Å²	181	141.4 Å²	141.4	85%	0.846	79%	0.787	S	S	*	*			trans	-128.1	158.9	165.6	-83.7	-171.5	-20.6	0	0	108.3
651	I	27.1	Very low	28.1	Very low	173 Å²	173	142 Å²	142	89%	0.887	78%	0.783	S	S	*	*			trans	-127.3	142.7	163.3	-62.2	-179.5	0	0	0	107.6
652	S	26.5	Very low	28.3	Very low	106 Å²	106	139.3 Å²	139.3	74%	0.741	78%	0.78	S	S	*	*			trans	-153.3	-157.7	-176.7	-174.2	0	0	0	0	108.4
653	V	30.4	Very low	28.3	Very low	119 Å²	119	138.6 Å²	138.6	72%	0.721	78%	0.781	S	S	*	*			trans	99.1	133.1	-176.2	179.6	0	0	0	0	112.7	H655	V653-H655 WeakPolarHBondContact CG1-CE1 3.41Å; V653-H655 WeakPolarHBondContact CG1-NE2 3.23Å
654	G	30.3	Very low	28.3	Very low	67 Å²	67	137.8 Å²	137.8	69%	0.691	79%	0.786	S	S	*	*			cis	177.5	-175.4	-0.7	0	0	0	0	0	109.4
655	H	31.7	Very low	28.6	Very low	163 Å²	163	136.6 Å²	136.6	76%	0.755	79%	0.786	S	S	*	*			cis	-145	-170.8	1.3	-59.8	83.7	0	0	0	106.5	V653	V653-H655 WeakPolarHBondContact CG1-CE1 3.41Å; V653-H655 WeakPolarHBondContact CG1-NE2 3.23Å
656	S	30.7	Very low	28.6	Very low	108 Å²	108	135.6 Å²	135.6	76%	0.755	79%	0.786	S	S	*	*			cis	-155.3	-174	13.9	-40.7	0	0	0	0	107.5
657	N	26.8	Very low	28.8	Very low	155 Å²	155	129.1 Å²	129.1	83%	0.829	78%	0.777	S	S	*	*			cis	-150.5	158.8	-5.1	-145.7	23.2	0	0	0	108.5
658	P	35	Very low	28.8	Very low	106 Å²	106	127.6 Å²	127.6	69%	0.688	78%	0.775	S	S	*	*			trans	-125.5	-167.5	-160.1	45.2	-34.8	0	0	0	117.1
659	S	30.5	Very low	29.1	Very low	116 Å²	116	131.1 Å²	131.1	81%	0.811	78%	0.778	S	S	*	*			trans	93.4	133.8	174.2	77.1	0	0	0	0	115.5
660	S	30.9	Very low	29.1	Very low	107 Å²	107	131.8 Å²	131.8	75%	0.748	78%	0.776	S	S	*	*			cis	-162.2	-166.9	-9.6	49.3	0	0	0	0	108.9
661	F	28.1	Very low	29.4	Very low	158 Å²	158	130 Å²	130	69%	0.693	78%	0.777	S	S	*	*			cis	-165.9	126.7	17	-169.4	-103	0	0	0	111.9
662	Q	31.1	Very low	29.5	Very low	174 Å²	174	129.2 Å²	129.2	81%	0.813	77%	0.774	S	S	*	*			trans	59.8	149.1	168.9	-64.1	178.7	-10.9	0	0	119.3
663	G	28.4	Very low	29.6	Very low	67 Å²	67	129 Å²	129	69%	0.691	77%	0.772	S	S	*	*			cis	171.5	116.6	-12.5	0	0	0	0	0	116.6
664	S	27.6	Very low	29.5	Very low	125 Å²	125	128.6 Å²	128.6	87%	0.874	78%	0.775	S	S	*	*			trans	59.1	139	143.9	-51.2	0	0	0	0	123.7
665	P	32.5	Very low	29.5	Very low	121 Å²	121	130.9 Å²	130.9	79%	0.786	78%	0.78	S	S	*	*			trans	-131.3	132.7	149.3	36.4	-23.1	0	0	0	115.2
666	S	26.3	Very low	29.3	Very low	117 Å²	117	129.4 Å²	129.4	82%	0.818	78%	0.783	S	S	*	*			trans	149.2	121	136.6	59.9	0	0	0	0	115
667	S	27.1	Very low	29.2	Very low	105 Å²	105	129 Å²	129	73%	0.734	78%	0.78	S	S	*	*				153.5	119.1	115.4	71.7	0	0	0	0	115.1
668	T	27.6	Very low	29.1	Very low	128 Å²	128	130.3 Å²	130.3	79%	0.785	78%	0.781	S	S	*	*			trans	46.5	112.3	145.8	59.7	0	0	0	0	122.1
669	R	28.5	Very low	29.2	Very low	226 Å²	226	130 Å²	130	85%	0.853	78%	0.778	S	S	*	*				179.7	140.3	94.6	-111.5	-179.3	171.5	155.6	-1.1	114.1
670	N	29.6	Very low	29	Very low	146 Å²	146	134.9 Å²	134.9	78%	0.781	79%	0.785	S	S	*	*			trans	65.3	157.5	167.5	-46.4	-14.4	0	0	0	114.4
671	V	30.8	Very low	28.8	Very low	143 Å²	143	141.7 Å²	141.7	87%	0.867	80%	0.795	S	S	*	*			cis	-130.3	168	9.3	178.5	0	0	0	0	110
672	L	28.3	Very low	28.9	Very low	157 Å²	157	139.2 Å²	139.2	82%	0.822	80%	0.803	S	S	*	*			trans	-81.5	160.9	178.5	-73.6	157.5	0	0	0	115.1
673	S	28.8	Very low	28.8	Very low	101 Å²	101	134.5 Å²	134.5	71%	0.706	80%	0.801	S	S	*	*			trans	57.7	96	146.8	61	0	0	0	0	121.6
674	S	28.3	Very low	29	Very low	111 Å²	111	136 Å²	136	78%	0.776	80%	0.801	S	S	*	*				37	126.2	121.1	61.5	0	0	0	0	122.6
675	S	30.3	Very low	29.2	Very low	114 Å²	114	136.5 Å²	136.5	80%	0.797	79%	0.79	S	S	*	*				-179.6	132.6	116.7	36	0	0	0	0	116.4
676	V	28.9	Very low	29	Very low	133 Å²	133	139.9 Å²	139.9	81%	0.806	79%	0.793	S	S	*	*			trans	61	87.7	138.8	-172.4	0	0	0	0	121.1
677	S	27.2	Very low	29	Very low	99 Å²	99	138 Å²	138	69%	0.692	79%	0.791	S	S	*	*				40.3	131.1	126.3	68.6	0	0	0	0	125.9
678	E	24.7	Very low	28.8	Very low	183 Å²	183	138.9 Å²	138.9	86%	0.855	80%	0.797	S	S	*	*			trans	67.9	169.5	133	-87.4	-165.2	-155.6	0	0	122.5
679	P	37.1	Very low	29	Very low	98 Å²	98	138.7 Å²	138.7	64%	0.636	80%	0.798	S	S	*	*			cis	-133.3	-176.4	-24.9	32.1	-13	0	0	0	113.8
680	F	26.9	Very low	28.8	Very low	219 Å²	219	133.8 Å²	133.8	96%	0.961	80%	0.798	S	S	*	*			trans	-157.9	122	154.1	-105.6	-71.2	0	0	0	113.5
681	R	27	Very low	28.8	Very low	251 Å²	251	131.6 Å²	131.6	95%	0.947	80%	0.8	S	S	*	*			trans	-166	123.2	164.9	-151.6	-178.6	-165.9	-167	5.4	114.1
682	A	29.7	Very low	28.7	Very low	105 Å²	105	130.4 Å²	130.4	87%	0.868	80%	0.798	S	S	*	*			trans	172.9	151.1	154.8	0	0	0	0	0	108.4
683	G	29.6	Very low	28.7	Very low	75 Å²	75	131.3 Å²	131.3	77%	0.773	80%	0.8	S	S	*	*			cis	-155.2	-167	-8.6	0	0	0	0	0	107.9
684	S	31.5	Very low	28.6	Very low	99 Å²	99	133 Å²	133	69%	0.692	80%	0.802	S	S	*	*			cis	-156.8	-164.2	-5.1	57.5	0	0	0	0	106.3
685	Q	32.8	Very low	28.6	Very low	136 Å²	136	136 Å²	136	64%	0.636	81%	0.807	S	S	*	*			cis	-161	173.2	3.3	-134.5	149.7	-91.6	0	0	105.3
686	F	28.9	Very low	28.4	Very low	191 Å²	191	135.6 Å²	135.6	84%	0.838	80%	0.803	S	S	*	*			cis	-130.7	-151.3	7.3	-93.1	-84.8	0	0	0	107.7
687	G	24.9	Very low	28.3	Very low	77 Å²	77	136.6 Å²	136.6	79%	0.794	80%	0.804	S	S	*	*			trans	128.5	-8.7	143.3	0	0	0	0	0	118.7
688	C	23	Very low	28.4	Very low	125 Å²	125	137 Å²	137	85%	0.845	80%	0.802	S	S	*	*			trans	-70.2	168.7	172.3	-67.2	0	0	0	0	111.8
689	P	32.5	Very low	28.4	Very low	124 Å²	124	135.5 Å²	135.5	81%	0.805	80%	0.8	S	S	*	*			cis	-146.7	172.2	24.4	43.4	-24.1	0	0	0	119.4
690	S	23.6	Very low	28	Very low	123 Å²	123	135.2 Å²	135.2	86%	0.86	80%	0.8	S	S	*	*			trans	-148	128.8	154.5	56.6	0	0	0	0	110.9
691	A	30.3	Very low	28.2	Very low	100 Å²	100	132.8 Å²	132.8	83%	0.826	79%	0.792	S	S	*	*			trans	-167.4	153.4	177.9	0	0	0	0	0	108
692	S	28.8	Very low	28.4	Very low	118 Å²	118	126 Å²	126	83%	0.825	78%	0.783	S	S	*	*			cis	-159.8	174.7	-9.6	43	0	0	0	0	108.6
693	M	27.8	Very low	28.7	Very low	175 Å²	175	126.9 Å²	126.9	86%	0.862	78%	0.78	S	S	*	*			trans	-69	146.8	-169.4	-59.2	-174	-166.3	0	0	116.3
694	N	25.9	Very low	28.6	Very low	138 Å²	138	126.5 Å²	126.5	74%	0.738	78%	0.775	S	S	*	*			trans	35.5	124.1	143.2	-60.3	-13.1	0	0	0	121.4
695	I	28.3	Very low	28.3	Very low	172 Å²	172	129.1 Å²	129.1	88%	0.882	78%	0.782	S	S	*	*				-163.6	163.3	102.9	-98.6	163	0	0	0	109.9
696	C	26.4	Very low	28.1	Very low	107 Å²	107	128.6 Å²	128.6	72%	0.723	79%	0.793	S	S	*	*			trans	-103.7	-176.7	-151.1	-51.6	0	0	0	0	116.5
697	N	26.5	Very low	28	Very low	153 Å²	153	127.4 Å²	127.4	82%	0.818	79%	0.79	S	S	*	*			trans	84.7	148.1	172	-68.2	-18.3	0	0	0	118.6
698	V	29.6	Very low	27.9	Very low	109 Å²	109	130.7 Å²	130.7	66%	0.661	79%	0.789	S	S	*	*			cis	-177.1	143.4	-45.2	131.9	0	0	0	0	108.2
699	N	26.2	Very low	28	Very low	150 Å²	150	130 Å²	130	80%	0.802	79%	0.785	S	S	*	*			trans	66.4	148.5	170.3	-75.4	-20.7	0	0	0	117.8
700	S	28.3	Very low	27.7	Very low	93 Å²	93	128.6 Å²	128.6	65%	0.65	78%	0.778	S	S	*	*			cis	-167	176.6	-9.9	50.8	0	0	0	0	112.8
701	Q	31	Very low	27.8	Very low	168 Å²	168	128.3 Å²	128.3	79%	0.785	77%	0.771	S	S	*	*			trans	87.3	90.7	159.6	-57.7	-167.7	14	0	0	121.3
702	S	30.7	Very low	27.6	Very low	109 Å²	109	129.2 Å²	129.2	76%	0.762	76%	0.762	S	S	*	*				76.7	163.7	119.6	79.8	0	0	0	0	121.6
703	P	36.8	Very low	27.4	Very low	123 Å²	123	133.3 Å²	133.3	80%	0.799	76%	0.76	S	S	*	*			cis	-118.8	158.9	-8.4	38.7	-26.6	0	0	0	114.9
704	G	26.8	Very low	27.5	Very low	66 Å²	66	136.4 Å²	136.4	68%	0.68	76%	0.762	S	S	*	*			trans	-82.7	-165.1	177.5	0	0	0	0	0	117.3
705	N	24.6	Very low	27.4	Very low	155 Å²	155	134.1 Å²	134.1	83%	0.829	76%	0.756	S	S	*	*			trans	55.3	115.3	159.4	-62	0.6	0	0	0	119.9
706	S	28.7	Very low	27.4	Very low	125 Å²	125	133.3 Å²	133.3	87%	0.874	75%	0.754	S	S	*	*				-152.2	139.2	119.8	23.2	0	0	0	0	111
707	H	26.8	Very low	27.5	Very low	165 Å²	165	139.1 Å²	139.1	76%	0.764	76%	0.761	S	S	*	*			trans	-89.9	142.9	-179.9	-93.4	-92.9	0	0	0	111.7
708	L	24.2	Very low	27.8	Very low	147 Å²	147	138.6 Å²	138.6	77%	0.77	75%	0.753	S	S	*	*			trans	55.5	144.2	136	-62.8	167.4	0	0	0	121.5
709	S	23.4	Very low	27.9	Very low	110 Å²	110	139.3 Å²	139.3	77%	0.769	76%	0.758	S	S	*	*			trans	91	161.2	147.1	87	0	0	0	0	119.4
710	S	26.4	Very low	28	Very low	94 Å²	94	143 Å²	143	66%	0.657	76%	0.76	S	S	*	*			trans	81	94.2	165.1	77.3	0	0	0	0	119.6
711	T	26.8	Very low	28.2	Very low	118 Å²	118	144.5 Å²	144.5	72%	0.724	77%	0.771	S	S	*	*				71.5	124	120.8	58	0	0	0	0	123.3
712	N	24.8	Very low	28.2	Very low	119 Å²	119	145.1 Å²	145.1	64%	0.636	77%	0.773	S	S	*	*				82.9	123.2	125.7	-81.7	-49.5	0	0	0	122.6
713	R	25.9	Very low	28.8	Very low	204 Å²	204	144.8 Å²	144.8	77%	0.77	77%	0.769	S	S	*	*			trans	70.1	100.5	132	-62.5	167.6	-173.8	-166.3	-3.6	119.5
714	R	28.9	Very low	28.6	Very low	240 Å²	240	144 Å²	144	91%	0.906	77%	0.766	S	S	*	*				-163.9	128.9	99.3	-91.4	154.3	-173.5	-166.3	3	107.3
715	S	24.8	Very low	28.8	Very low	89 Å²	89	151 Å²	151	62%	0.622	77%	0.772	S	S	*	*			cis	76.9	136.3	15.3	93.1	0	0	0	0	117.9
716	N	26.9	Very low	29.2	Very low	156 Å²	156	150.5 Å²	150.5	83%	0.834	76%	0.764	S	S	*	*			trans	71.9	95.4	169.2	-64.8	-10.4	0	0	0	120.1
717	R	30.4	Very low	29.3	Very low	229 Å²	229	151.2 Å²	151.2	86%	0.864	76%	0.758	S	S	*	*				-162.9	146.5	115.1	-95.4	-162	166.1	149.3	2	109.3
718	Q	32.3	Very low	29.6	Very low	142 Å²	142	147.6 Å²	147.6	66%	0.664	75%	0.752	S	S	*	*			cis	-167.3	144.1	-24.2	-130.3	-178	-54.3	0	0	109.4
719	V	31.1	Very low	30	Very low	123 Å²	123	148.4 Å²	148.4	75%	0.745	76%	0.756	S	S	*	*			trans	66.6	148.6	151	162.4	0	0	0	0	119.3
720	R	28.2	Very low	30.4	Very low	229 Å²	229	147 Å²	147	86%	0.864	75%	0.746	S	S	*	*			cis	171	121.7	-40.8	-112.1	-178.3	174.3	-175.2	-2	109.1
721	S	32.6	Very low	30.7	Very low	124 Å²	124	149.3 Å²	149.3	87%	0.867	75%	0.751	S	S	*	*			trans	-175.4	101.5	149.1	50.1	0	0	0	0	115.9
722	H	31.4	Very low	31	Very low	181 Å²	181	150 Å²	150	84%	0.838	76%	0.755	S	S	*	*			trans	-28.5	175.5	145.7	-77.1	-38.7	0	0	0	119.9
723	P	42.1	Very low	31.4	Very low	102 Å²	102	148.5 Å²	148.5	66%	0.662	76%	0.759	S	S	*	*			cis	-150.3	-176.9	-30.1	40.9	-22.7	0	0	0	117.2
724	S	33.1	Very low	32.2	Very low	106 Å²	106	144.2 Å²	144.2	74%	0.741	76%	0.758	S	S	*	*			trans	82	150.2	141.4	78.5	0	0	0	0	119.5
725	R	30.7	Very low	32.5	Very low	214 Å²	214	138 Å²	138	81%	0.808	75%	0.746	S	S	*	*			cis	-157.9	160.9	7	-141.9	178.4	-170.9	-177.8	3.4	114.3
726	Q	32.8	Very low	32.8	Very low	143 Å²	143	141 Å²	141	67%	0.668	76%	0.756	S	S	*	*			trans	81.8	116.6	150.1	-90.3	162.4	-43.6	0	0	122.9
727	N	31.7	Very low	33	Very low	141 Å²	141	137.1 Å²	137.1	75%	0.754	75%	0.752	S	S	*	*			trans	72.1	141.2	136.7	-63.7	8.7	0	0	0	121.1
728	S	33	Very low	33.1	Very low	89 Å²	89	136.6 Å²	136.6	62%	0.622	75%	0.75	S	S	*	*			cis	-170.7	137.3	-14.5	46.5	0	0	0	0	113.7
729	L	32.4	Very low	32.9	Very low	163 Å²	163	136.3 Å²	136.3	85%	0.853	75%	0.749	S	S	*	*			trans	67.2	151	155.5	-59.8	164.4	0	0	0	118.2
730	S	32.4	Very low	32.9	Very low	81 Å²	81	136.3 Å²	136.3	57%	0.566	74%	0.744	S	S	*	*			cis	-172	155.4	-24.3	52.5	0	0	0	0	112.3
731	N	32.6	Very low	32.9	Very low	143 Å²	143	135.7 Å²	135.7	77%	0.765	74%	0.741	S	S	*	*			trans	72.1	141.3	153.4	-64.7	-3.6	0	0	0	119.4
732	T	33.4	Very low	32.7	Very low	132 Å²	132	136.9 Å²	136.9	81%	0.81	74%	0.738	S	S	*	*			cis	-154.9	148.8	-27.2	0.9	0	0	0	0	110.5
733	A	32.1	Very low	32.6	Very low	87 Å²	87	133 Å²	133	72%	0.719	73%	0.731	S	S	*	*			trans	-95	-163.7	179.4	0	0	0	0	0	112
734	P	43.8	Very low	31.9	Very low	114 Å²	114	139.4 Å²	139.4	74%	0.74	74%	0.742	S	S	*	*			cis	-128.4	-157.2	-34.7	33.4	-13.1	0	0	0	111.3
735	V	33.8	Very low	32	Very low	109 Å²	109	140 Å²	140	66%	0.661	74%	0.744	S	S	*	*				-169.8	130.5	79.5	163.2	0	0	0	0	111.1
736	N	31.5	Very low	32.5	Very low	154 Å²	154	135 Å²	135	82%	0.824	74%	0.739	S	S	*	*			trans	57	135	164.6	-57.6	-15.5	0	0	0	118.7
737	G	31.5	Very low	32.2	Very low	73 Å²	73	138.3 Å²	138.3	75%	0.753	75%	0.745	S	S	*	*			cis	98	129.7	9.5	0	0	0	0	0	111.9
738	R	32.1	Very low	32.1	Very low	219 Å²	219	138.6 Å²	138.6	83%	0.826	74%	0.742	S	S	*	*			cis	-158.4	147.5	19.7	-111.7	-172	156.8	137.7	1	110.7
739	E	29.5	Very low	31.8	Very low	136 Å²	136	141.2 Å²	141.2	64%	0.636	75%	0.748	S	S	*	*				52.2	135.5	98.2	-76	-173.1	136.1	0	0	115.7
740	L	30.4	Very low	31.6	Very low	122 Å²	122	140.6 Å²	140.6	64%	0.639	75%	0.745	S	S	*	*			cis	-164.6	158.1	22.9	-105.4	145.9	0	0	0	112
741	R	27.4	Very low	31.3	Very low	217 Å²	217	141.2 Å²	141.2	82%	0.819	75%	0.749	S	S	*	*			trans	62.2	126.4	153.7	-71	172.2	-171.3	-155.4	1	118.1
742	N	29.3	Very low	31	Very low	148 Å²	148	141.3 Å²	141.3	79%	0.791	75%	0.749	S	S	*	*				-159.3	177.9	50.7	-99.6	-20.1	0	0	0	114.2
743	S	28.3	Very low	30.8	Very low	100 Å²	100	142 Å²	142	70%	0.699	75%	0.753	S	S	*	*			trans	-46.7	133.4	170.2	43.2	0	0	0	0	116
744	R	27.2	Very low	30.6	Very low	236 Å²	236	142 Å²	142	89%	0.891	75%	0.753	S	S	*	*				66.2	148.3	82.9	-70.5	-174.1	174.5	-166.6	-1	115.6
745	P	36.9	Very low	29.8	Very low	119 Å²	119	142.3 Å²	142.3	77%	0.773	76%	0.758	S	S	*	*			cis	-129.8	-131.2	-32.7	33.9	-9.4	0	0	0	113.4
746	P	39.3	Very low	29.5	Very low	110 Å²	110	141.9 Å²	141.9	71%	0.714	76%	0.76	S	S	*	*				-138.7	178.9	-112.1	45.7	-26.3	0	0	0	120.7
747	R	28.1	Very low	29.4	Very low	211 Å²	211	141.8 Å²	141.8	80%	0.796	76%	0.758	S	S	*	*			trans	78.3	153.4	146.4	-90.5	-171.8	177	-163.5	-0	123.5
748	H	28.4	Very low	29.1	Very low	147 Å²	147	148.8 Å²	148.8	68%	0.681	76%	0.764	S	S	*	*			trans	69.3	149.1	164.9	-61.3	-62.7	0	0	0	119.1
749	L	27.2	Very low	29.6	Very low	145 Å²	145	144.3 Å²	144.3	76%	0.759	76%	0.763	S	S	*	*			cis	-165.4	-176.2	-31.9	-127.1	179.3	0	0	0	109.4
750	L	28.3	Very low	29.6	Very low	150 Å²	150	141.1 Å²	141.1	79%	0.785	77%	0.766	S	S	*	*			trans	75.5	135	176.8	-52.8	172	0	0	0	115.7
751	S	26.3	Very low	29.6	Very low	93 Å²	93	142.1 Å²	142.1	65%	0.65	77%	0.773	S	S	*	*			cis	82.1	135.9	27.7	-165.5	0	0	0	0	114.1
752	L	26.3	Very low	29.9	Very low	146 Å²	146	138.4 Å²	138.4	76%	0.764	77%	0.768	S	S	*	*			cis	-158.7	161.5	-17.5	-112.7	173.3	0	0	0	108.4
753	T	28.5	Very low	30	Very low	147 Å²	147	137.5 Å²	137.5	90%	0.902	76%	0.763	S	S	*	*			trans	179.5	152.8	149.8	17	0	0	0	0	110.7
754	A	27.3	Very low	30.2	Very low	87 Å²	87	138.8 Å²	138.8	72%	0.719	76%	0.761	S	S	*	*			trans	-140.7	177.9	-170.3	0	0	0	0	0	114.2
755	S	28.6	Very low	30.4	Very low	119 Å²	119	137.7 Å²	137.7	83%	0.832	76%	0.757	S	S	*	*			trans	82.6	153.8	173.5	-37.9	0	0	0	0	117.2
756	S	27.1	Very low	30.1	Very low	101 Å²	101	137.5 Å²	137.5	71%	0.706	75%	0.749	S	S	*	*				-170.6	165.1	-54.8	50.1	0	0	0	0	111.3
757	L	29	Very low	29.7	Very low	151 Å²	151	139.3 Å²	139.3	79%	0.791	75%	0.747	S	S	*	*			trans	88.2	100.3	161.9	-55.1	169.2	0	0	0	121
758	Y	25.5	Very low	29.8	Very low	221 Å²	221	137.5 Å²	137.5	87%	0.867	75%	0.748	S	S	*	*				21.5	164.5	121.9	-70.2	-74.4	0	0	0	122.9
759	P	41.4	Very low	29.9	Very low	124 Å²	124	135.8 Å²	135.8	81%	0.805	75%	0.753	S	S	*	*			cis	-144.5	166.3	19.1	41	-20.8	0	0	0	120.7
760	G	29.8	Very low	29.9	Very low	69 Å²	69	136.3 Å²	136.3	71%	0.711	75%	0.753	S	S	*	*			trans	90.9	158.2	147.7	0	0	0	0	0	119.3
761	N	31.5	Very low	29.9	Very low	144 Å²	144	138.8 Å²	138.8	77%	0.77	75%	0.752	S	S	*	*			cis	-168.4	156.2	-6.8	-146.3	-4.9	0	0	0	112.3
762	I	32.6	Very low	29.8	Very low	139 Å²	139	141.7 Å²	141.7	71%	0.713	76%	0.76	S	S	*	*			trans	67.1	134.1	152.4	-75.6	162.5	0	0	0	118.3
763	N	32.2	Very low	30.5	Very low	129 Å²	129	139.9 Å²	139.9	69%	0.69	76%	0.757	S	S	*	*			cis	-169	167.4	-6.8	-137.8	-13.4	0	0	0	112.4
764	I	31.8	Very low	30.4	Very low	127 Å²	127	143.2 Å²	143.2	65%	0.651	75%	0.754	S	S	*	*			trans	66.5	138.9	158.2	-73.1	167.2	0	0	0	114.9
765	W	31.6	Very low	30.4	Very low	213 Å²	213	144.8 Å²	144.8	81%	0.807	76%	0.755	S	S	*	*			cis	-162.5	165.1	-7.8	-107.3	-5.6	0	0	0	105.2
766	N	31	Very low	30.3	Very low	115 Å²	115	143.1 Å²	143.1	62%	0.615	75%	0.748	S	S	*	*			cis	-157.8	-173.4	-2.5	-116.6	-14.4	0	0	0	105.8
767	H	31	Very low	30.3	Very low	147 Å²	147	147.6 Å²	147.6	68%	0.681	76%	0.758	S	S	*	*			cis	-151.6	177.9	12.7	-162.5	-117.5	0	0	0	109.8
768	E	29.2	Very low	30.2	Very low	173 Å²	173	143.6 Å²	143.6	81%	0.808	75%	0.753	S	S	*	*			trans	62.3	153.6	176.6	-52.7	-157.4	158.8	0	0	116.3
769	S	31.1	Very low	30.3	Very low	112 Å²	112	140.7 Å²	140.7	78%	0.783	75%	0.75	S	S	*	*			trans	-152.7	121.2	-137.3	58	0	0	0	0	117.8
770	M	27.3	Very low	29.9	Very low	156 Å²	156	142 Å²	142	77%	0.768	75%	0.745	S	S	*	*			trans	36.2	133.7	132.4	-92.3	-156.7	-68.1	0	0	123.3
771	R	28	Very low	29.8	Very low	201 Å²	201	145.5 Å²	145.5	76%	0.758	75%	0.747	S	S	*	*			trans	92	111.9	132	-78.4	178.6	-177.1	-155.6	-0.4	122.2
772	L	25.2	Very low	30.4	Very low	155 Å²	155	143.6 Å²	143.6	81%	0.812	74%	0.743	S	S	*	*				68.5	160.6	121.1	-68.1	174.4	0	0	0	119.1
773	P	39.9	Very low	30.3	Very low	108 Å²	108	147.7 Å²	147.7	70%	0.701	75%	0.749	S	S	*	*			trans	-118.6	-177	-135.1	45.1	-39.3	0	0	0	117.3
774	Y	27	Very low	30.3	Very low	217 Å²	217	147.7 Å²	147.7	85%	0.851	75%	0.749	S	S	*	*			trans	89.6	120.2	160.1	-103.6	-121.9	0	0	0	120.2
775	V	27.8	Very low	30.3	Very low	120 Å²	120	149 Å²	149	73%	0.727	75%	0.752	S	S	*	*			trans	79.1	105.3	146.3	176.7	0	0	0	0	120.8
776	A	26.6	Very low	30.2	Very low	84 Å²	84	149.1 Å²	149.1	69%	0.694	75%	0.752	S	S	*	*			trans	60.7	156.9	130.3	0	0	0	0	0	121.1
777	Q	27.2	Very low	30	Very low	194 Å²	194	148.2 Å²	148.2	91%	0.907	76%	0.755	S	S	*	*			cis	-165.5	165.7	-13.7	-118.6	-178.3	7.8	0	0	110.3
778	G	26.8	Very low	29.9	Very low	68 Å²	68	148.5 Å²	148.5	70%	0.701	76%	0.761	S	S	*	*			trans	104.7	168.8	149.3	0	0	0	0	0	118.2
779	M	27.8	Very low	30	Very low	160 Å²	160	146.8 Å²	146.8	79%	0.788	76%	0.762	S	S	*	*			cis	-166	-179.1	-7.1	-124.8	-170.5	79.4	0	0	112.8
780	H	32.1	Very low	30	Very low	152 Å²	152	146.3 Å²	146.3	70%	0.704	76%	0.756	S	S	*	*			trans	94.5	139.6	171.9	-60.5	-69	0	0	0	117.4
781	N	29.3	Very low	30.1	Very low	141 Å²	141	143.6 Å²	143.6	75%	0.754	75%	0.753	S	S	*	*			cis	-148.7	169.4	2.9	-113.8	-15.8	0	0	0	113.1
782	P	42.1	Very low	30	Very low	105 Å²	105	141 Å²	141	68%	0.682	75%	0.753	S	S	*	*			trans	-130.2	-176.3	-154.8	45.9	-34.5	0	0	0	116.7
783	R	32	Very low	30	Very low	225 Å²	225	140.5 Å²	140.5	85%	0.849	75%	0.75	S	S	*	*				176.2	131	128.8	-99.3	165.1	-179	-174.5	1.4	116.1
784	N	31.4	Very low	29.5	Very low	129 Å²	129	141.8 Å²	141.8	69%	0.69	76%	0.76	S	S	*	*			trans	57.5	149.1	148.1	-50	-8.4	0	0	0	119.7
785	H	32.5	Very low	29.6	Very low	153 Å²	153	138 Å²	138	71%	0.708	76%	0.755	S	S	*	*			cis	-144.3	138.1	23.5	-98.4	-82.3	0	0	0	115.1
786	R	29.9	Very low	30.3	Very low	216 Å²	216	137 Å²	137	82%	0.815	75%	0.751	S	S	*	*			trans	50.7	101.2	138.3	-69.6	-173.6	176.7	-169.3	-2.3	122.9
787	S	27	Very low	30.5	Very low	97 Å²	97	140.5 Å²	140.5	68%	0.678	75%	0.752	S	S	*	*				39.3	130.3	110.8	66.4	0	0	0	0	122
788	L	27.5	Very low	30.8	Very low	153 Å²	153	137.4 Å²	137.4	80%	0.801	74%	0.742	S	S	*	*				179.9	153.2	105	-98.4	164.4	0	0	0	113.7
789	V	32.5	Very low	31.1	Very low	137 Å²	137	140.6 Å²	140.6	83%	0.83	74%	0.742	S	S	*	*			trans	-129.8	124.2	153.3	171.5	0	0	0	0	105.6
790	P	31.1	Very low	31.2	Very low	102 Å²	102	139.7 Å²	139.7	66%	0.662	74%	0.739	S	S	*	*				-147.8	158.1	120.8	37.3	-21.1	0	0	0	115.9
791	S	27.7	Very low	31	Very low	99 Å²	99	142.6 Å²	142.6	69%	0.692	74%	0.744	S	S	*	*			trans	-42.7	160.5	153.1	17.6	0	0	0	0	114.5
792	L	26.7	Very low	30.8	Very low	146 Å²	146	140.4 Å²	140.4	76%	0.764	74%	0.739	S	S	*	*			cis	-159.3	152.4	17.1	-118	153.8	0	0	0	111.7
793	L	25.8	Very low	30	Very low	145 Å²	145	142 Å²	142	76%	0.759	74%	0.742	S	S	*	*			trans	13.6	139.9	156.2	-73.8	170	0	0	0	123.1
794	C	28.1	Very low	29.8	Very low	134 Å²	134	136.7 Å²	136.7	91%	0.905	73%	0.734	S	S	*	*			trans	-139.1	135.3	130.2	-99.6	0	0	0	0	112
795	N	30.1	Very low	29.5	Very low	139 Å²	139	136.7 Å²	136.7	74%	0.743	74%	0.739	S	S	*	*			trans	-109.1	176.5	172.3	-146.2	-10.4	0	0	0	107.2
796	P	42.3	Very low	29.7	Very low	99 Å²	99	134.3 Å²	134.3	64%	0.643	74%	0.737	S	S	*	*				-162	-177.7	79.2	42.8	-21.2	0	0	0	118.6
797	H	30.6	Very low	29.4	Very low	156 Å²	156	130.9 Å²	130.9	72%	0.722	73%	0.733	S	S	*	*			trans	75.6	122.3	176.8	-60.2	-59	0	0	0	114.8
798	N	33	Very low	29.3	Very low	129 Å²	129	131 Å²	131	69%	0.69	74%	0.735	S	S	*	*			cis	-166.1	164.9	5.5	-109.9	-3.6	0	0	0	107
799	I	32.7	Very low	29.3	Very low	135 Å²	135	131.5 Å²	131.5	69%	0.692	73%	0.733	S	S	*	*			cis	-166.8	150.2	-12.7	-137.9	178.9	0	0	0	103.7
800	L	31.4	Very low	29	Very low	141 Å²	141	131.4 Å²	131.4	74%	0.738	73%	0.727	S	S	*	*			cis	-138.4	-162.8	5	-86.9	174.6	0	0	0	106.8
801	R	27.1	Very low	28.8	Very low	213 Å²	213	132.1 Å²	132.1	80%	0.804	73%	0.73	S	S	*	*				-169.2	133	-73	-112.8	-165.1	175.6	-165.6	-0.1	109.4
802	C	25.7	Very low	28.9	Very low	95 Å²	95	135 Å²	135	64%	0.642	73%	0.732	S	S	*	*			trans	73	107.4	139.4	-59.6	0	0	0	0	124
803	N	25	Very low	29.1	Very low	140 Å²	140	135.2 Å²	135.2	75%	0.749	73%	0.729	S	S	*	*				65	116.8	109.6	-65	19.7	0	0	0	124.7
804	T	27.4	Very low	29.2	Very low	112 Å²	112	134 Å²	134	69%	0.687	73%	0.728	S	S	*	*				61.4	108.7	126.5	65.8	0	0	0	0	123.4
805	T	26	Very low	29.1	Very low	130 Å²	130	135.5 Å²	135.5	80%	0.798	72%	0.721	S	S	*	*				52.9	156.4	128.1	59	0	0	0	0	122.9
806	P	36.2	Very low	28.9	Very low	103 Å²	103	136.3 Å²	136.3	67%	0.669	73%	0.726	S	S	*	*			cis	-140.6	172.8	-27.4	39	-21.4	0	0	0	115.6
807	I	24.1	Very low	28.8	Very low	143 Å²	143	135.8 Å²	135.8	73%	0.733	72%	0.722	S	S	*	*			trans	55.1	121.8	148.9	-67	162.8	0	0	0	120.4
808	S	24.8	Very low	28.7	Very low	101 Å²	101	135.8 Å²	135.8	71%	0.706	73%	0.727	S	S	*	*			trans	70.6	153.4	153.3	79.8	0	0	0	0	117.8
809	Q	27.6	Very low	28.6	Very low	162 Å²	162	136.4 Å²	136.4	76%	0.757	72%	0.723	S	S	*	*			cis	-164	150.8	-13.5	-122.4	-176.1	-9.4	0	0	110.6
810	L	26.4	Very low	28.4	Very low	136 Å²	136	137.4 Å²	137.4	71%	0.712	73%	0.73	S	S	*	*			trans	63.9	164	150.7	-57.9	164.3	0	0	0	117
811	T	26	Very low	28.3	Very low	117 Å²	117	137.8 Å²	137.8	72%	0.718	73%	0.728	S	S	*	*			cis	-152.8	172.7	9.6	-23.1	0	0	0	0	112
812	Q	30.7	Very low	28.4	Very low	160 Å²	160	131.4 Å²	131.4	75%	0.748	72%	0.716	S	S	*	*			trans	78.3	135.6	164.9	-62	178	-6.6	0	0	116.1
813	Q	29.2	Very low	28.6	Very low	149 Å²	149	133.2 Å²	133.2	70%	0.696	72%	0.719	S	S	*	*			cis	-158.5	150.9	-12.2	-118.6	159.5	-29	0	0	105.6
814	V	28.3	Very low	28.7	Very low	120 Å²	120	131.9 Å²	131.9	73%	0.727	72%	0.717	S	S	*	*				-159.1	133.1	58	166.5	0	0	0	0	111.3
815	E	27.1	Very low	28.7	Very low	166 Å²	166	134.2 Å²	134.2	78%	0.776	72%	0.724	S	S	*	*			trans	32.3	111.2	143.5	-52.7	172.6	159.1	0	0	123.5
816	N	26	Very low	28.8	Very low	155 Å²	155	131.8 Å²	131.8	83%	0.829	71%	0.712	S	S	*	*				28.8	165.4	99.2	-93.5	-7.5	0	0	0	121.6
817	P	38.6	Very low	28.5	Very low	89 Å²	89	134.8 Å²	134.8	58%	0.578	72%	0.717	S	S	*	*			cis	-141.1	-178.7	-15.9	32.6	-10.6	0	0	0	116.2
818	L	29.2	Very low	28.7	Very low	155 Å²	155	134.3 Å²	134.3	81%	0.812	72%	0.721	S	S	*	*			trans	129.7	136.3	141.6	-68.8	171	0	0	0	113.7
819	F	30.3	Very low	28.7	Very low	142 Å²	142	136.4 Å²	136.4	62%	0.623	72%	0.723	S	S	*	*			cis	168.5	129.4	-28.3	-128.8	-91.5	0	0	0	105.2	H821	F819-H821 AromaticContact CE1-CD2 3.75Å; F819-H821 AromaticContact CE1-NE2 3.84Å
820	N	28.4	Very low	28.6	Very low	156 Å²	156	134.7 Å²	134.7	83%	0.834	72%	0.719	S	S	*	*				-176.4	155.5	119.4	-99.1	-19.5	0	0	0	116.1
821	H	30.7	Very low	28.7	Very low	150 Å²	150	135.9 Å²	135.9	69%	0.694	73%	0.726	S	S	*	*			trans	-94.5	-171.8	175.5	-75.5	-102.3	0	0	0	111	F819	F819-H821 AromaticContact CE1-CD2 3.75Å; F819-H821 AromaticContact CE1-NE2 3.84Å
822	S	29	Very low	28.8	Very low	78 Å²	78	137.4 Å²	137.4	55%	0.545	73%	0.729	S	S	.	*				-171.7	171.6	-54	64.4	0	0	0	0	107.8
823	D	29.2	Very low	28.8	Very low	133 Å²	133	135.2 Å²	135.2	71%	0.711	73%	0.728	S	S	*	*			trans	70.5	157.1	158.3	-69.3	-64.1	0	0	0	121.3
824	T	27.7	Very low	28.6	Very low	113 Å²	113	133.4 Å²	133.4	69%	0.693	73%	0.732	S	S	*	*			cis	-163.8	179.6	-49.7	18.9	0	0	0	0	109.8
825	L	27.6	Very low	28.6	Very low	161 Å²	161	132.7 Å²	132.7	84%	0.843	73%	0.732	S	S	*	*			trans	82.9	150.2	164	-53.3	172.3	0	0	0	119.7
826	S	28	Very low	28.6	Very low	78 Å²	78	130 Å²	130	55%	0.545	73%	0.732	S	S	.	*			cis	174.6	149.1	-42.2	54.5	0	0	0	0	111.9
827	H	29.3	Very low	28.6	Very low	167 Å²	167	131.6 Å²	131.6	77%	0.773	73%	0.734	S	S	*	*			trans	68.3	159.4	163.8	-59.8	-61.9	0	0	0	118.3
828	T	28.4	Very low	27.9	Very low	133 Å²	133	135.9 Å²	135.9	82%	0.816	75%	0.747	S	S	*	*			cis	-144.1	177.6	16.7	-27.8	0	0	0	0	112.9
829	L	24.7	Very low	27.7	Very low	145 Å²	145	133.5 Å²	133.5	76%	0.759	74%	0.743	S	S	*	*			trans	-105.5	-176.1	-174.3	-79.2	117.2	0	0	0	115.2
830	D	26.2	Very low	27.4	Very low	126 Å²	126	131.4 Å²	131.4	67%	0.674	73%	0.732	S	S	*	*			trans	97.1	106.9	148.6	-57.1	-41.3	0	0	0	119.7
831	N	28.8	Very low	27.3	Very low	161 Å²	161	129.7 Å²	129.7	86%	0.861	72%	0.721	S	S	*	*				-167.4	171.1	90.9	-98.4	-77.9	0	0	0	114.1
832	I	26.7	Very low	27	Very low	149 Å²	149	126.9 Å²	126.9	76%	0.764	71%	0.711	S	S	*	*			trans	-134.6	161.5	-161.7	-88.5	167.1	0	0	0	107.3
833	P	32	Very low	26.9	Very low	113 Å²	113	129.4 Å²	129.4	73%	0.734	71%	0.714	S	S	*	*			cis	-142.9	-175.5	35.2	24.1	4.6	0	0	0	119.8
834	S	25.3	Very low	26.7	Very low	112 Å²	112	128.2 Å²	128.2	78%	0.783	71%	0.707	S	S	*	*			trans	-36.8	171.2	160.5	59.2	0	0	0	0	118.4
835	S	26.5	Very low	26.8	Very low	105 Å²	105	128.9 Å²	128.9	73%	0.734	71%	0.707	S	S	*	*			cis	-145.2	-158.6	19.6	58	0	0	0	0	111.3
836	S	28	Very low	26.6	Very low	110 Å²	110	129 Å²	129	77%	0.769	70%	0.703	S	S	*	*			cis	-163	-179.9	7.6	10	0	0	0	0	110.9
837	E	25.2	Very low	26.5	Very low	187 Å²	187	129.6 Å²	129.6	87%	0.874	71%	0.707	S	S	*	*			trans	-97.1	160	-177	-67.4	166.6	127.7	0	0	116
838	E	24.9	Very low	26.3	Very low	180 Å²	180	127.6 Å²	127.6	84%	0.841	71%	0.706	S	S	*	*			trans	60.8	140.2	149.2	-75.6	-168	162.7	0	0	126.9
839	S	24.6	Very low	26.3	Very low	105 Å²	105	126.5 Å²	126.5	73%	0.734	70%	0.699	S	S	*	*			trans	103.1	144.6	136.7	73.7	0	0	0	0	123.3
840	Y	24.1	Very low	26.4	Very low	97 Å²	97	126.4 Å²	126.4	38%	0.38	70%	0.7	S	S	.	*			trans	-60.1	163.3	168.7	-93	-94.9	0	0	0	111.9	T1088 P1089 I1090	Y840-T1088 WeakPolarHBondContact CA-O 3.32Å; Y840-T1088 VanDerWaalsContact CD1-CA 3.41Å; Y840-T1088 WeakPolarHBondContact CD2-O 3.04Å; Y840-T1088 VanDerWaalsContact CE1-CA 3.49Å; Y840-T1088 HydrophobicContact CE1-CG2 4.13Å; Y840-T1088 PolarHBondContact N-O 3.08Å; Y840-P1089 WeakPolarHBondContact CD2-O 3.21Å; Y840-P1089 WeakPolarHBondContact CE2-O 3.23Å; Y840-I1090 HydrophobicContact CD2-CB 4.41Å; Y840-I1090 HydrophobicContact CD2-CD1 3.87Å; Y840-I1090 HydrophobicContact CD2-CG1 3.7Å; Y840-I1090 HydrophobicContact CE2-CB 3.83Å; Y840-I1090 HydrophobicContact CE2-CD1 3.67Å; Y840-I1090 HydrophobicContact CE2-CG1 3.56Å; Y840-I1090 VanDerWaalsContact CE2-N 3.26Å
841	I	26.6	Very low	26.4	Very low	120 Å²	120	125.4 Å²	125.4	62%	0.615	70%	0.703	S	S	*	*				-171.7	137.6	77.3	-82.9	-179.3	0	0	0	112.3	S1086	I841-S1086 CarbonylContact C-O 3.6Å; I841-S1086 VanDerWaalsContact C-O 3.32Å; I841-S1086 PolarHBondContact N-O 3.26Å; I841-S1086 CarbonylContact O-C 3.52Å
842	I	25.2	Very low	26.4	Very low	92 Å²	92	121 Å²	121	47%	0.472	69%	0.689	S	S	.	*			trans	4	134.6	152.1	-57.2	169	0	0	0	115.5	S1087	I842-S1087 VanDerWaalsContact N-CB 3.31Å
843	Q	26.8	Very low	26.6	Very low	130 Å²	130	123.1 Å²	123.1	61%	0.607	69%	0.693	S	S	*	*				-172.9	167.8	78.9	-149.9	137.9	37.6	0	0	116.2	N1085	Q843-N1085 WeakPolarHBondContact O-CB 3.16Å; Q843-N1085 PolarHBondContact O-ND2 2.81Å
844	N	25.3	Very low	26.3	Very low	108 Å²	108	122.9 Å²	122.9	58%	0.578	69%	0.694	S	S	*	*			trans	-29.4	154.9	164	-40.5	-4.7	0	0	0	115.6	N1085	N844-N1085 PolarHBondContact O-ND2 2.64Å
845	N	28.3	Very low	26.5	Very low	128 Å²	128	125 Å²	125	68%	0.684	69%	0.693	S	S	*	*				-152.2	148.4	61.9	-101.8	15	0	0	0	110.3
846	E	24.9	Very low	26.5	Very low	164 Å²	164	127 Å²	127	77%	0.766	69%	0.693	S	S	*	*				52.9	134.7	83.1	-73.2	-168.2	-165.6	0	0	115.3
847	S	26	Very low	26.4	Very low	89 Å²	89	129.1 Å²	129.1	62%	0.622	69%	0.691	S	S	*	*			cis	-170	163.3	-3.3	45.8	0	0	0	0	113.2
848	T	25.1	Very low	26.5	Very low	125 Å²	125	127.7 Å²	127.7	77%	0.767	68%	0.684	S	S	*	*			trans	73.5	157.7	148.7	14	0	0	0	0	123.6
849	V	27.2	Very low	26.5	Very low	110 Å²	110	124.7 Å²	124.7	67%	0.667	68%	0.678	S	S	*	*			trans	88.2	96.8	143.9	159.6	0	0	0	0	119.6
850	N	27.3	Very low	26.5	Very low	143 Å²	143	127 Å²	127	77%	0.765	68%	0.683	S	S	*	*				70.9	156.5	126.1	-62.7	-5.1	0	0	0	120.8
851	S	26.3	Very low	26.5	Very low	105 Å²	105	131.2 Å²	131.2	73%	0.734	71%	0.706	S	S	*	*			cis	-177.1	169.8	-23.2	59.6	0	0	0	0	109.2
852	A	29.2	Very low	27	Very low	70 Å²	70	130.7 Å²	130.7	58%	0.579	71%	0.71	S	S	*	*				162.5	160.2	119.3	0	0	0	0	0	114
853	F	30.1	Very low	27	Very low	192 Å²	192	133.2 Å²	133.2	84%	0.842	72%	0.724	S	S	*	*			trans	58.5	99.5	169.8	-57.3	-72.5	0	0	0	116.7
854	S	24.8	Very low	27	Very low	109 Å²	109	134.6 Å²	134.6	76%	0.762	73%	0.73	S	S	*	*			cis	70.3	118.7	14.6	-170.4	0	0	0	0	117.7
855	M	29.3	Very low	27.1	Very low	155 Å²	155	135.3 Å²	135.3	76%	0.764	73%	0.734	S	S	*	*				-168.7	134.2	127.7	-108.6	-179.2	175.2	0	0	114.2
856	M	27.6	Very low	27.2	Very low	149 Å²	149	135 Å²	135	73%	0.734	74%	0.741	S	S	*	*			trans	46.1	152.1	150.5	-67.1	-174.5	-80	0	0	122
857	Q	26.1	Very low	27.3	Very low	154 Å²	154	130.5 Å²	130.5	72%	0.72	74%	0.738	S	S	*	*			cis	163.9	154.9	-28.1	-115.3	-174.1	-10.7	0	0	107.5
858	Q	27.7	Very low	27.4	Very low	156 Å²	156	134.1 Å²	134.1	73%	0.729	75%	0.75	S	S	*	*			trans	81.3	97.2	147.6	-79.1	175.8	-4.2	0	0	123.7
859	T	23.8	Very low	27.5	Very low	117 Å²	117	134.8 Å²	134.8	72%	0.718	75%	0.754	S	S	*	*				72	148.5	113.7	51.2	0	0	0	0	125.3
860	D	25.8	Very low	27.4	Very low	155 Å²	155	135.9 Å²	135.9	83%	0.829	76%	0.756	S	S	*	*			trans	93.6	157.4	156.7	-61.1	-21.9	0	0	0	121.3
861	Q	22.8	Very low	27.3	Very low	185 Å²	185	135.6 Å²	135.6	86%	0.864	75%	0.753	S	S	*	*			trans	-108	-144.2	-155.9	-63.2	-172.8	-17.9	0	0	114.4
862	P	36.6	Very low	27.3	Very low	108 Å²	108	136.6 Å²	136.6	70%	0.701	75%	0.75	S	S	*	*				-122.5	178	-112.6	39.8	-21.1	0	0	0	114.9
863	L	26.4	Very low	27.1	Very low	146 Å²	146	140.2 Å²	140.2	76%	0.764	76%	0.755	S	S	*	*			trans	176.2	128	153.4	-91.5	151.3	0	0	0	106.3
864	E	26.3	Very low	26.8	Very low	158 Å²	158	138.3 Å²	138.3	74%	0.738	75%	0.753	S	S	*	*				61.9	144.3	87.3	-70.3	-168	-170.2	0	0	115.4
865	N	28.3	Very low	26.8	Very low	124 Å²	124	136.9 Å²	136.9	66%	0.663	75%	0.747	S	S	*	*			cis	-155.6	173.4	17.1	-146	-53.4	0	0	0	113.7
866	C	29	Very low	26.6	Very low	122 Å²	122	134.2 Å²	134.2	82%	0.824	74%	0.744	S	S	*	*			trans	73.8	119.9	163.7	-61.4	0	0	0	0	119
867	G	28.1	Very low	26.5	Very low	68 Å²	68	134.5 Å²	134.5	70%	0.701	75%	0.748	S	S	*	*			cis	154.4	151.9	-14.6	0	0	0	0	0	115.6
868	N	26.6	Very low	26.4	Very low	165 Å²	165	134.9 Å²	134.9	88%	0.882	76%	0.755	S	S	*	*			trans	62	149.9	158.4	-52.5	-5.5	0	0	0	118.1
869	V	28.1	Very low	26.2	Very low	140 Å²	140	134.9 Å²	134.9	85%	0.848	76%	0.76	S	S	*	*			cis	-135.7	160.2	14.3	179.2	0	0	0	0	111.1
870	D	25.1	Very low	26.4	Very low	133 Å²	133	134.4 Å²	134.4	71%	0.711	77%	0.767	S	S	*	*			trans	-65.9	158.8	178.9	-81.3	-58.6	0	0	0	119.6
871	I	25	Very low	26.3	Very low	137 Å²	137	131.6 Å²	131.6	70%	0.703	76%	0.76	S	S	*	*			trans	54.3	121	133.9	-60	167.2	0	0	0	117.6
872	N	26	Very low	26.4	Very low	126 Å²	126	129.8 Å²	129.8	67%	0.674	75%	0.752	S	S	*	*				-171.6	170.2	62.6	-144.2	6.6	0	0	0	116.4
873	E	26.6	Very low	25.8	Very low	146 Å²	146	132.4 Å²	132.4	68%	0.682	75%	0.752	S	S	*	*			trans	55.5	112.3	143.6	-83.9	174.4	142.1	0	0	125.3
874	L	23.2	Very low	25.9	Very low	152 Å²	152	133 Å²	133	80%	0.796	76%	0.756	S	S	*	*				61.3	134.6	114.6	-79.8	176.5	0	0	0	124.5
875	A	24.2	Very low	25.9	Very low	78 Å²	78	129.1 Å²	129.1	65%	0.645	75%	0.751	S	S	*	*			trans	88.8	118.2	132.4	0	0	0	0	0	122.8
876	S	25.6	Very low	26.1	Very low	100 Å²	100	128.4 Å²	128.4	70%	0.699	75%	0.753	S	S	*	*			trans	81	118.8	130.4	68.3	0	0	0	0	121.8
877	N	25.4	Very low	26	Very low	154 Å²	154	128.8 Å²	128.8	82%	0.824	75%	0.752	S	S	*	*				64.5	109.9	128.1	-59.5	-3.5	0	0	0	121	N879	N877-N879 PolarHBondContact O-N 3.39Å
878	L	22.9	Very low	26	Very low	163 Å²	163	131 Å²	131	85%	0.853	75%	0.751	S	S	*	*	S	Bend	trans	-33.9	101.9	134.8	-68.4	158	0	0	0	112.7
879	N	24.9	Very low	26.2	Very low	155 Å²	155	129.9 Å²	129.9	83%	0.829	75%	0.751	S	S	*	*				160.8	119.5	113	-81.4	-24.3	0	0	0	111.5	N877	N877-N879 PolarHBondContact O-N 3.39Å
880	A	26.6	Very low	26.2	Very low	107 Å²	107	126.7 Å²	126.7	88%	0.884	75%	0.746	S	S	*	*			trans	-139.2	146.8	161.4	0	0	0	0	0	108.4
881	S	24.8	Very low	26.4	Very low	97 Å²	97	125.1 Å²	125.1	68%	0.678	75%	0.745	S	S	*	*			trans	-136.1	176.8	-160.5	53.7	0	0	0	0	113.4
882	H	25.4	Very low	26.6	Very low	147 Å²	147	127.7 Å²	127.7	68%	0.681	75%	0.754	S	S	*	*			trans	89.6	135.1	147.5	-80.9	-54.2	0	0	0	122.8
883	F	24.2	Very low	26.5	Very low	163 Å²	163	129.6 Å²	129.6	72%	0.715	76%	0.763	S	S	*	*			trans	67.9	153.9	145.6	-69.4	-50.7	0	0	0	118
884	D	27.1	Very low	27	Very low	159 Å²	159	128.2 Å²	128.2	85%	0.85	77%	0.767	S	S	*	*			cis	-126.6	169.1	25.8	-106.2	-51.1	0	0	0	117.2
885	A	26.7	Very low	27.1	Very low	75 Å²	75	124.7 Å²	124.7	62%	0.62	76%	0.76	S	S	*	*			trans	-96	-171.7	172.4	0	0	0	0	0	112
886	P	32.5	Very low	27.3	Very low	109 Å²	109	125 Å²	125	71%	0.708	76%	0.758	S	S	*	*				-154.8	150.8	96.8	38	-19.6	0	0	0	118.3
887	T	26.1	Very low	27.4	Very low	131 Å²	131	125 Å²	125	80%	0.804	75%	0.747	S	S	*	*			trans	65.9	153.9	152	54.8	0	0	0	0	118.4
888	V	29.6	Very low	27.4	Very low	114 Å²	114	124.1 Å²	124.1	69%	0.691	73%	0.731	S	S	*	*			cis	-143.4	127.3	32.7	173.8	0	0	0	0	112.6
889	T	30	Very low	27.6	Very low	142 Å²	142	121.3 Å²	121.3	87%	0.871	73%	0.725	S	S	*	*			trans	53	143.6	165.1	58.8	0	0	0	0	119.5
890	G	28.9	Very low	27.6	Very low	72 Å²	72	119 Å²	119	74%	0.742	72%	0.722	S	S	*	*			cis	140.3	151.2	4.2	0	0	0	0	0	109.5
891	S	29.1	Very low	27.6	Very low	101 Å²	101	120.1 Å²	120.1	71%	0.706	72%	0.722	S	S	*	*			cis	-176.4	144.1	-9	50	0	0	0	0	110.2
892	H	29.1	Very low	27.7	Very low	190 Å²	190	121.2 Å²	121.2	88%	0.88	73%	0.729	S	S	*	*			trans	87	150	165	-59.5	-69.4	0	0	0	122.5
893	L	23.3	Very low	28	Very low	166 Å²	166	119.4 Å²	119.4	87%	0.869	73%	0.733	S	S	*	*			trans	-118.4	-167.9	-174.9	-74.9	155	0	0	0	109
894	P	36.7	Very low	28.6	Very low	117 Å²	117	117.4 Å²	117.4	76%	0.76	74%	0.736	S	S	*	*			cis	-136.5	176	-18.2	21.1	5	0	0	0	117
895	A	26	Very low	28.5	Very low	79 Å²	79	115.2 Å²	115.2	65%	0.653	73%	0.729	S	S	*	*			trans	67.3	114.1	139.6	0	0	0	0	0	126.7
896	S	28.3	Very low	28.7	Very low	85 Å²	85	119.3 Å²	119.3	59%	0.594	74%	0.739	S	S	*	*			trans	74.5	164.2	134.5	84.2	0	0	0	0	120.5	Q1230	S896-Q1230 PolarHBondContact O-NE2 3.34Å
897	Q	27.8	Very low	28.4	Very low	100 Å²	100	119.6 Å²	119.6	47%	0.467	74%	0.739	S	S	.	*			cis	-161.5	162.7	8.4	-148.4	-173.1	98.5	0	0	112.5	Q1230	Q897-Q1230 HydrophobicContact CB-CG 4.23Å; Q897-Q1230 PolarHBondContact O-N 3.03Å; Q897-Q1230 VanDerWaalsContact O-N 3.16Å
898	R	24.7	Very low	28.6	Very low	134 Å²	134	118.1 Å²	118.1	51%	0.506	73%	0.734	S	S	.	*			trans	77.8	106.5	156.8	-78.6	-177.1	-165.4	-161.2	-1	123
899	S	27.3	Very low	28.6	Very low	104 Å²	104	119.2 Å²	119.2	73%	0.727	74%	0.736	S	S	*	*				65.1	153.1	117.2	68.5	0	0	0	0	126.6
900	S	26.1	Very low	28.6	Very low	107 Å²	107	118.4 Å²	118.4	75%	0.748	73%	0.725	S	S	*	*			trans	82.3	95.2	149.1	61.4	0	0	0	0	123
901	C	25.8	Very low	28.7	Very low	131 Å²	131	121.8 Å²	121.8	89%	0.885	72%	0.721	S	S	*	*				12.4	136.9	129.3	-43.5	0	0	0	0	121.6
902	S	26.4	Very low	28.7	Very low	120 Å²	120	124 Å²	124	84%	0.839	72%	0.72	S	S	*	*			trans	-163.8	147.2	132.3	50.4	0	0	0	0	112.7
903	S	32.7	Very low	28.8	Very low	108 Å²	108	120 Å²	120	76%	0.755	71%	0.714	S	S	*	*			trans	-114.2	152.7	173.7	-44.8	0	0	0	0	111.1
904	P	35.6	Very low	28.9	Very low	121 Å²	121	116.6 Å²	116.6	79%	0.786	71%	0.709	S	S	*	*			trans	-129.9	135.6	140	34.8	-23.6	0	0	0	110.5
905	T	26	Very low	28.9	Very low	114 Å²	114	116.2 Å²	116.2	70%	0.699	71%	0.707	S	S	*	*			cis	76.5	138.8	21.2	-35.3	0	0	0	0	114.8
906	L	29.9	Very low	29	Very low	160 Å²	160	120.1 Å²	120.1	84%	0.838	71%	0.711	S	S	*	*			trans	91.6	137.2	173.5	-56.7	174.3	0	0	0	117.1
907	V	27	Very low	29	Very low	115 Å²	115	126.6 Å²	126.6	70%	0.697	72%	0.724	S	S	*	*			cis	-164.5	-179.6	-20.7	87.6	0	0	0	0	111.4
908	S	30.7	Very low	28.9	Very low	100 Å²	100	125.5 Å²	125.5	70%	0.699	74%	0.74	S	S	*	*			trans	103	107.8	171.3	70.2	0	0	0	0	115.1
909	D	29.4	Very low	29.1	Very low	137 Å²	137	124.4 Å²	124.4	73%	0.733	75%	0.753	S	S	*	*				87.6	140.7	56.4	-67.6	-41.3	0	0	0	111
910	I	30.4	Very low	29	Very low	126 Å²	126	124.9 Å²	124.9	65%	0.646	76%	0.756	S	S	*	*			cis	-161.5	155.6	17.9	-143.5	163.9	0	0	0	112.9
911	H	30.1	Very low	29.1	Very low	143 Å²	143	124.3 Å²	124.3	66%	0.662	76%	0.758	S	S	*	*			trans	61.7	158.1	160	-66.5	-43.5	0	0	0	119.9
912	H	30.3	Very low	29.1	Very low	147 Å²	147	123.5 Å²	123.5	68%	0.681	75%	0.754	S	S	*	*			cis	-157.5	143.3	-8.2	-122.9	-55.5	0	0	0	111.8
913	S	29.2	Very low	29.2	Very low	107 Å²	107	124.2 Å²	124.2	75%	0.748	76%	0.757	S	S	*	*			trans	57.9	153.5	143.8	-56.8	0	0	0	0	123.9
914	A	26.2	Very low	28.7	Very low	93 Å²	93	128.4 Å²	128.4	77%	0.769	76%	0.762	S	S	*	*			trans	-83.5	-176.4	175.7	0	0	0	0	0	112.3
915	P	36.2	Very low	28.4	Very low	109 Å²	109	131 Å²	131	71%	0.708	76%	0.764	S	S	*	*			cis	-148.4	173.8	18.2	46.2	-26.1	0	0	0	120.4
916	E	28	Very low	28.3	Very low	161 Å²	161	132.8 Å²	132.8	75%	0.752	76%	0.764	S	S	*	*			trans	60.2	145	138.6	-81.5	177.1	-162.2	0	0	126.9
917	Y	28.4	Very low	28.2	Very low	221 Å²	221	133.4 Å²	133.4	87%	0.867	77%	0.767	S	S	*	*			trans	55.1	132.8	158.7	-71.8	-68.6	0	0	0	122.1
918	G	26.6	Very low	28	Very low	78 Å²	78	136.9 Å²	136.9	80%	0.804	77%	0.773	S	S	*	*			trans	161.9	81.3	169.1	0	0	0	0	0	116.6
919	S	28.6	Very low	27.8	Very low	110 Å²	110	143 Å²	143	77%	0.769	78%	0.781	S	S	*	*			trans	-38.7	139.4	179	53.7	0	0	0	0	120.2
920	S	25.5	Very low	27.7	Very low	114 Å²	114	141.8 Å²	141.8	80%	0.797	78%	0.783	S	S	*	*			trans	47.4	129.5	143.4	63.5	0	0	0	0	120.1
921	A	27	Very low	27.4	Very low	95 Å²	95	141.6 Å²	141.6	79%	0.785	79%	0.787	S	S	*	*				-172	168.9	60.9	0	0	0	0	0	113.8
922	S	26	Very low	27.1	Very low	115 Å²	115	142 Å²	142	80%	0.804	80%	0.795	S	S	*	*			trans	61.4	100.9	158.7	173.8	0	0	0	0	118.9
923	C	28.3	Very low	27.1	Very low	134 Å²	134	140.2 Å²	140.2	91%	0.905	81%	0.805	S	S	*	*			trans	-144.7	142.9	138.8	-105.4	0	0	0	0	111.2
924	K	22.8	Very low	26.9	Very low	197 Å²	197	142 Å²	142	86%	0.857	81%	0.805	S	S	*	*			trans	-92.9	140.7	167.6	-61	174.3	179.8	177.5	0	108.6
925	H	29.4	Very low	27	Very low	176 Å²	176	144.4 Å²	144.4	82%	0.815	81%	0.805	S	S	*	*				-163.8	162.5	129.9	-116.4	-71.2	0	0	0	111.1
926	E	23.9	Very low	26.7	Very low	151 Å²	151	150.6 Å²	150.6	71%	0.706	81%	0.814	S	S	*	*			trans	-74.2	169.3	172.7	-44.5	108.1	127.8	0	0	111.8
927	L	27.3	Very low	26.8	Very low	173 Å²	173	151.2 Å²	151.2	91%	0.906	82%	0.822	S	S	*	*				-160.7	157.7	123.8	-109.4	169.4	0	0	0	112.6
928	F	24.5	Very low	26.9	Very low	187 Å²	187	148.3 Å²	148.3	82%	0.82	82%	0.821	S	S	*	*			trans	-113.1	154.3	178.1	-110.9	-89	0	0	0	109.6
929	R	24.9	Very low	27.2	Very low	229 Å²	229	149.5 Å²	149.5	86%	0.864	82%	0.817	S	S	*	*			trans	69.9	119.1	161.8	-64.7	177.5	172.3	-141.3	-1.5	120.5
930	S	28.8	Very low	27.3	Very low	111 Å²	111	151.4 Å²	151.4	78%	0.776	82%	0.819	S	S	*	*			trans	-168.4	125.3	140.8	48.4	0	0	0	0	106
931	V	23	Very low	27.4	Very low	122 Å²	122	153.5 Å²	153.5	74%	0.739	82%	0.821	S	S	*	*			cis	59.1	125.4	15.6	-170.3	0	0	0	0	113.5
932	D	25	Very low	27.4	Very low	152 Å²	152	154.9 Å²	154.9	81%	0.813	82%	0.819	S	S	*	*			trans	64.9	91.9	-178.2	-60.5	-27.9	0	0	0	117.2
933	A	29.1	Very low	27.3	Very low	109 Å²	109	159 Å²	159	90%	0.901	82%	0.823	S	S	*	*			trans	-138.9	60.4	163.1	0	0	0	0	0	110.7
934	I	25	Very low	27	Very low	145 Å²	145	163.5 Å²	163.5	74%	0.744	82%	0.821	S	S	*	*			trans	-103.1	142.3	171.5	-70	177.3	0	0	0	109.2
935	N	27.8	Very low	27.1	Very low	144 Å²	144	159.6 Å²	159.6	77%	0.77	82%	0.819	S	S	*	*	S	Bend	trans	68.7	85.7	178.8	-58.5	-35.6	0	0	0	117
936	R	29.9	Very low	26.7	Very low	239 Å²	239	157.1 Å²	157.1	90%	0.902	82%	0.815	S	S	*	*				171.8	116.8	107.2	-92.1	164.4	-176.6	173.6	3.5	112.4
937	L	31.2	Very low	26.8	Very low	174 Å²	174	155.4 Å²	155.4	91%	0.911	82%	0.82	S	S	*	*			trans	-174.4	108.1	137.7	-105.2	165.8	0	0	0	108.7
938	D	29.9	Very low	26.5	Very low	160 Å²	160	154.4 Å²	154.4	86%	0.856	82%	0.816	S	S	*	*			trans	-90.5	118.7	170.9	-66.8	-64.8	0	0	0	109.7
939	S	33	Very low	26.6	Very low	102 Å²	102	152.4 Å²	152.4	71%	0.713	81%	0.812	S	S	*	*			trans	177.4	115.2	133.1	59.4	0	0	0	0	113.1
940	D	30.2	Very low	26.6	Very low	151 Å²	151	146.3 Å²	146.3	81%	0.807	80%	0.804	S	S	*	*			trans	69.2	139.8	147.9	-55.3	-19.5	0	0	0	123.1
941	N	29.4	Very low	26.5	Very low	157 Å²	157	147.3 Å²	147.3	84%	0.84	81%	0.806	S	S	*	*			trans	76.1	56.6	159.5	-58.7	-30.6	0	0	0	120.4
942	V	26	Very low	26.6	Very low	124 Å²	124	150.3 Å²	150.3	75%	0.752	81%	0.81	S	S	*	*			trans	-2.6	123.8	136	-179.4	0	0	0	0	117.6
943	F	24.3	Very low	26.5	Very low	202 Å²	202	148.7 Å²	148.7	89%	0.886	81%	0.81	S	S	*	*				-149.8	123.6	125.7	-113	-76.9	0	0	0	110
944	W	22.1	Very low	26.4	Very low	229 Å²	229	149.1 Å²	149.1	87%	0.867	80%	0.801	S	S	*	*			trans	-144.5	139.9	173.5	-80.2	99.3	0	0	0	109.6
945	S	23.9	Very low	26.3	Very low	115 Å²	115	150.2 Å²	150.2	80%	0.804	81%	0.807	S	S	*	*			trans	-143.3	93.5	166.4	61.2	0	0	0	0	110.6
946	V	21.1	Very low	26.3	Very low	123 Å²	123	151.3 Å²	151.3	75%	0.745	81%	0.807	S	S	*	*			trans	-118	101.1	164.4	179.2	0	0	0	0	106.8
947	S	25.3	Very low	26.5	Very low	115 Å²	115	147.3 Å²	147.3	80%	0.804	80%	0.804	S	S	*	*			trans	-95.7	92.1	-179.3	53.7	0	0	0	0	110.3
948	N	22.9	Very low	26.9	Very low	152 Å²	152	143.6 Å²	143.6	81%	0.813	79%	0.79	S	S	*	*			trans	-125.7	100.6	170.9	-150.7	-9.2	0	0	0	108.2
949	I	26.4	Very low	26.9	Very low	146 Å²	146	142.3 Å²	142.3	75%	0.749	79%	0.788	S	S	*	*			trans	-110.8	104.2	-173.8	-63.2	179.2	0	0	0	109.1	T951	I949-T951 HydrophobicContact CG2-CG2 4.22Å
950	S	24	Very low	26.8	Very low	100 Å²	100	142.5 Å²	142.5	70%	0.699	80%	0.796	S	S	*	*			trans	-96	111.9	163.9	56.1	0	0	0	0	109.7	F952	S950-F952 PolarHBondContact O-N 2.78Å; S950-F952 VanDerWaalsContact O-N 3.16Å
951	T	26.2	Very low	26.8	Very low	132 Å²	132	138.3 Å²	138.3	81%	0.81	79%	0.788	S	S	*	*			trans	-79.8	91.3	-179.5	29.5	0	0	0	0	112.1	I949	I949-T951 HydrophobicContact CG2-CG2 4.22Å
952	F	26.8	Very low	26.8	Very low	186 Å²	186	136.9 Å²	136.9	82%	0.816	79%	0.786	S	S	*	*			trans	-79.5	134.2	161.2	-98.2	-82.1	0	0	0	111.1	S950	S950-F952 PolarHBondContact O-N 2.78Å; S950-F952 VanDerWaalsContact O-N 3.16Å
953	S	21.4	Very low	27	Very low	117 Å²	117	139.9 Å²	139.9	82%	0.818	79%	0.789	S	S	*	*			trans	-79	125.5	175.2	42.6	0	0	0	0	111.1
954	V	27.5	Very low	27.2	Very low	119 Å²	119	134.8 Å²	134.8	72%	0.721	78%	0.778	S	S	*	*			trans	-123.7	122.1	170.8	177.7	0	0	0	0	109.2	E956	V954-E956 HydrophobicContact CG1-CG 4.06Å
955	I	23.2	Very low	27.5	Very low	168 Å²	168	132.4 Å²	132.4	86%	0.862	78%	0.777	S	S	*	*			trans	-91.5	109.1	169	-60.7	168.9	0	0	0	107
956	E	27.5	Very low	27.8	Very low	166 Å²	166	131 Å²	131	78%	0.776	77%	0.772	S	S	*	*			trans	-136.2	142.3	162.6	-78	-159.4	154	0	0	111.2	V954	V954-E956 HydrophobicContact CG1-CG 4.06Å
957	N	34.1	Very low	28	Very low	155 Å²	155	132.6 Å²	132.6	83%	0.829	78%	0.775	S	S	*	*			trans	-154	91.9	178.4	-178	13	0	0	0	111.6
958	P	40	Very low	28	Very low	97 Å²	97	132.4 Å²	132.4	63%	0.63	77%	0.769	S	S	*	*			trans	-132.2	156.7	174.3	37.7	-22.1	0	0	0	114.5
959	T	29.7	Very low	28.2	Very low	133 Å²	133	134.6 Å²	134.6	82%	0.816	77%	0.772	S	S	*	*			cis	-168.5	172.6	-22.3	29.6	0	0	0	0	109.5
960	A	31.5	Very low	28.4	Very low	106 Å²	106	133.1 Å²	133.1	88%	0.876	77%	0.765	S	S	*	*			trans	87	142.2	152.7	0	0	0	0	0	120
961	G	30	Very low	28.6	Very low	62 Å²	62	135.6 Å²	135.6	64%	0.639	77%	0.766	S	S	*	*			cis	170.1	166.5	-10.9	0	0	0	0	0	117.3
962	T	29.3	Very low	28.8	Very low	128 Å²	128	135.7 Å²	135.7	79%	0.785	76%	0.761	S	S	*	*			trans	62.9	138.6	163.5	50.9	0	0	0	0	118.6
963	F	30.5	Very low	28.9	Very low	186 Å²	186	133.4 Å²	133.4	82%	0.816	76%	0.757	S	S	*	*				-158.4	151.1	56.2	-103.7	-91.1	0	0	0	115.3
964	S	28.8	Very low	29.3	Very low	96 Å²	96	131.9 Å²	131.9	67%	0.671	75%	0.746	S	S	*	*			trans	23.9	158.9	142.4	-64.8	0	0	0	0	125.8
965	Q	28.2	Very low	29.5	Very low	179 Å²	179	133.4 Å²	133.4	84%	0.836	75%	0.75	S	S	*	*			cis	-177.1	148.5	-30.5	-142.9	178.3	8.7	0	0	112.7
966	A	28.4	Very low	29.9	Very low	85 Å²	85	129.9 Å²	129.9	70%	0.702	74%	0.741	S	S	*	*			trans	74.6	162.2	145.1	0	0	0	0	0	125.1
967	I	27	Very low	30	Very low	157 Å²	157	128.6 Å²	128.6	81%	0.805	74%	0.739	S	S	*	*			trans	87.3	140	164.4	-55.1	175.9	0	0	0	118.2
968	T	25.3	Very low	29.8	Very low	111 Å²	111	126.7 Å²	126.7	68%	0.681	73%	0.733	S	S	*	*				172.4	143.2	-63.9	40.2	0	0	0	0	111.3
969	F	26.5	Very low	29.2	Very low	197 Å²	197	128.6 Å²	128.6	86%	0.864	74%	0.743	S	S	*	*			trans	-169.6	119.9	154.1	-88.3	-65.3	0	0	0	108.2
970	N	29.6	Very low	29.2	Very low	116 Å²	116	129.3 Å²	129.3	62%	0.62	74%	0.74	S	S	*	*				74.1	139.6	89.2	-72.2	38.2	0	0	0	114.8
971	E	29.9	Very low	29.1	Very low	152 Å²	152	127.6 Å²	127.6	71%	0.71	73%	0.732	S	S	*	*			cis	-166	173.2	-0.1	-119.9	160.4	165.7	0	0	112
972	D	29	Very low	29.1	Very low	134 Å²	134	129 Å²	129	72%	0.717	74%	0.738	S	S	*	*			trans	69.7	153.8	152.4	-73.4	-3.7	0	0	0	122.3
973	L	29.9	Very low	29.1	Very low	137 Å²	137	131.6 Å²	131.6	72%	0.717	74%	0.741	S	S	*	*			cis	-161.5	127.4	-2.4	-116.9	166.8	0	0	0	115.5
974	S	30	Very low	29	Very low	85 Å²	85	128 Å²	128	59%	0.594	73%	0.734	S	S	*	*			trans	60.1	146.5	137.8	75.1	0	0	0	0	128.4
975	N	30.7	Very low	29	Very low	151 Å²	151	129.8 Å²	129.8	81%	0.807	74%	0.736	S	S	*	*			trans	73	151.2	144.5	-63.6	-24.7	0	0	0	121.3
976	S	30.9	Very low	29.2	Very low	94 Å²	94	127 Å²	127	66%	0.657	73%	0.727	S	S	*	*			cis	176.3	162.1	-18.6	66.2	0	0	0	0	107.5
977	N	30.6	Very low	29.3	Very low	139 Å²	139	129.5 Å²	129.5	74%	0.743	73%	0.727	S	S	*	*			cis	-152.3	164.1	3.6	-82.6	-51.2	0	0	0	107.1
978	V	29	Very low	29.6	Very low	115 Å²	115	127.5 Å²	127.5	70%	0.697	73%	0.727	S	S	*	*			cis	106	94.1	16.3	178.6	0	0	0	0	116	I980	V978-I980 HydrophobicContact CG1-CD1 4.49Å
979	V	27.9	Very low	29.7	Very low	138 Å²	138	125.4 Å²	125.4	84%	0.836	73%	0.728	S	S	*	*			trans	-150.5	120.2	158.3	-166.7	0	0	0	0	106.4
980	I	30.3	Very low	29.8	Very low	147 Å²	147	123.7 Å²	123.7	75%	0.754	73%	0.728	S	S	*	*			cis	82.8	135.9	46.2	-58.9	167.5	0	0	0	112.4	V978	V978-I980 HydrophobicContact CG1-CD1 4.49Å
981	G	29.2	Very low	29.8	Very low	70 Å²	70	124.9 Å²	124.9	72%	0.722	74%	0.739	S	S	*	*			cis	135.8	149.9	-1.5	0	0	0	0	0	112.1
982	A	30.9	Very low	29.7	Very low	93 Å²	93	122.2 Å²	122.2	77%	0.769	74%	0.737	S	S	*	*			cis	-169.8	167.9	-10.9	0	0	0	0	0	111.8
983	Q	27.8	Very low	29.6	Very low	181 Å²	181	123.1 Å²	123.1	85%	0.846	74%	0.741	S	S	*	*			trans	62	129.6	153.1	-81.7	-167	-53.6	0	0	124.8
984	V	28.6	Very low	29.5	Very low	110 Å²	110	124 Å²	124	67%	0.667	74%	0.741	S	S	*	*				87.7	139	121.7	171.1	0	0	0	0	124.6
985	D	29.5	Very low	29.5	Very low	134 Å²	134	126.6 Å²	126.6	72%	0.717	75%	0.749	S	S	*	*			trans	95.2	123.6	147.1	-89.5	-2.5	0	0	0	128.4
986	N	31.2	Very low	29.3	Very low	120 Å²	120	127.3 Å²	127.3	64%	0.642	75%	0.752	S	S	*	*				86.9	123.1	126	-79	-34	0	0	0	128.7
987	I	31.7	Very low	29.9	Very low	138 Å²	138	128.2 Å²	128.2	71%	0.708	76%	0.756	S	S	*	*				91.7	109.2	126	-69.3	168.6	0	0	0	124.5
988	S	32.8	Very low	29.9	Very low	115 Å²	115	126.1 Å²	126.1	80%	0.804	75%	0.751	S	S	*	*			trans	52.8	137.8	140	79.2	0	0	0	0	127.1
989	G	27.4	Very low	29.9	Very low	67 Å²	67	131.4 Å²	131.4	69%	0.691	76%	0.759	S	S	*	*				139.9	102.4	117.3	0	0	0	0	0	123.6
990	N	28	Very low	30	Very low	162 Å²	162	131 Å²	131	87%	0.866	75%	0.752	S	S	*	*			trans	76.6	153.3	144.3	-68.9	-12.3	0	0	0	125.6
991	V	29.4	Very low	29.8	Very low	140 Å²	140	134.6 Å²	134.6	85%	0.848	76%	0.758	S	S	*	*			trans	78.7	134.1	163.7	-167.6	0	0	0	0	117.8
992	S	28.1	Very low	29.7	Very low	97 Å²	97	137.7 Å²	137.7	68%	0.678	76%	0.762	S	S	*	*			cis	-169.9	157.8	-27.5	-93.2	0	0	0	0	111.8
993	L	28.6	Very low	29.7	Very low	153 Å²	153	137.8 Å²	137.8	80%	0.801	76%	0.757	S	S	*	*			trans	78.3	130.6	152.6	-78.2	159.6	0	0	0	123.7
994	E	27.7	Very low	30	Very low	154 Å²	154	136.8 Å²	136.8	72%	0.72	76%	0.757	S	S	*	*			trans	93.4	127	142	-91.8	-178.5	-123.8	0	0	125.3
995	N	28.9	Very low	30.2	Very low	141 Å²	141	138.2 Å²	138.2	75%	0.754	77%	0.765	S	S	*	*			trans	77.8	88.6	152.7	-55.2	-34.6	0	0	0	121.7
996	L	27.5	Very low	30.2	Very low	165 Å²	165	134.8 Å²	134.8	86%	0.864	76%	0.762	S	S	*	*			trans	-98.6	-173.2	158.5	-86.7	163.5	0	0	0	110.4
997	P	42.2	Very low	30.1	Very low	114 Å²	114	137.2 Å²	137.2	74%	0.74	78%	0.775	S	S	*	*			cis	-113.7	-142.4	-10.1	21.6	4.8	0	0	0	110.4
998	S	31.1	Very low	30.1	Very low	94 Å²	94	136 Å²	136	66%	0.657	78%	0.779	S	S	*	*			cis	-157.2	167.3	4.8	-31.3	0	0	0	0	108
999	R	29.8	Very low	30.5	Very low	227 Å²	227	135.6 Å²	135.6	86%	0.857	77%	0.773	S	S	*	*			cis	77.1	136.8	12.6	-60.4	-164.5	171.3	-168.8	-3.4	117.6
1000	N	28.7	Very low	30.7	Very low	128 Å²	128	139 Å²	139	68%	0.684	78%	0.775	S	S	*	*			cis	-162.9	146.1	-13	-113.7	10.9	0	0	0	112.3
1001	Y	26.2	Very low	30.9	Very low	223 Å²	223	138.6 Å²	138.6	88%	0.875	77%	0.769	S	S	*	*			trans	17.4	149.4	144.9	-100.8	-82	0	0	0	125.7
1002	V	28.3	Very low	31.1	Very low	136 Å²	136	138.3 Å²	138.3	82%	0.824	76%	0.758	S	S	*	*			trans	87	166	163.8	-176	0	0	0	0	116.6
1003	S	30.4	Very low	31.2	Very low	95 Å²	95	139.9 Å²	139.9	66%	0.664	76%	0.759	S	S	*	*			trans	-125.8	160.5	-132.8	54.7	0	0	0	0	118.3
1004	L	33.8	Very low	31.5	Very low	160 Å²	160	139.3 Å²	139.3	84%	0.838	75%	0.752	S	S	*	*			trans	11.1	141.3	141.9	-51.7	173.2	0	0	0	118.7
1005	V	33.7	Very low	31.7	Very low	139 Å²	139	136.9 Å²	136.9	84%	0.842	75%	0.752	S	S	*	*			cis	-162.7	158.3	0.1	116.4	0	0	0	0	109.1
1006	G	28.6	Very low	31.8	Very low	62 Å²	62	136.9 Å²	136.9	64%	0.639	75%	0.752	S	S	*	*			trans	154.7	99.5	162.8	0	0	0	0	0	117.4
1007	D	28.6	Very low	31.9	Very low	171 Å²	171	134.2 Å²	134.2	91%	0.914	74%	0.743	S	S	*	*			trans	57.5	154.9	152.4	-58.9	-12.4	0	0	0	123.5
1008	S	31.7	Very low	31.3	Very low	114 Å²	114	138.7 Å²	138.7	80%	0.797	75%	0.751	S	S	*	*			trans	-125.1	173.6	-178.4	-58.6	0	0	0	0	110.5
1009	P	42.4	Very low	31.2	Very low	106 Å²	106	137.5 Å²	137.5	69%	0.688	75%	0.753	S	S	*	*				-149.8	153.9	100.1	38.1	-21.4	0	0	0	117.2
1010	D	31.8	Very low	30.9	Very low	137 Å²	137	134.2 Å²	134.2	73%	0.733	75%	0.753	S	S	*	*			trans	52.9	117	132.8	-53.9	-9.4	0	0	0	121.4
1011	E	32.5	Very low	30.9	Very low	155 Å²	155	132.7 Å²	132.7	72%	0.724	75%	0.748	S	S	*	*				95	153.9	83.4	-71.4	-142.7	137.6	0	0	112.7
1012	Q	32	Very low	30.9	Very low	134 Å²	134	131.8 Å²	131.8	63%	0.626	74%	0.743	S	S	*	*			cis	-154.1	-179.3	-11.7	-124.1	-168.6	50.8	0	0	109.4
1013	D	31.1	Very low	30.8	Very low	129 Å²	129	134 Å²	134	69%	0.69	74%	0.736	S	S	*	*			trans	133	134.2	151.6	-78.8	6.7	0	0	0	115.7
1014	H	34.5	Very low	30.6	Very low	141 Å²	141	135.1 Å²	135.1	65%	0.653	73%	0.731	S	S	*	*			cis	-163.7	171.6	-7.9	-131.4	43.6	0	0	0	112.3
1015	S	31.7	Very low	30.5	Very low	103 Å²	103	136.1 Å²	136.1	72%	0.72	73%	0.731	S	S	*	*			trans	73.7	120.8	171.9	71.5	0	0	0	0	118
1016	N	30.6	Very low	30.2	Very low	142 Å²	142	132.7 Å²	132.7	76%	0.759	72%	0.724	S	S	*	*			cis	87.9	137.5	49.8	-69.6	-29.3	0	0	0	112.9
1017	T	30.8	Very low	30.3	Very low	109 Å²	109	136.7 Å²	136.7	67%	0.669	73%	0.731	S	S	*	*			cis	-164.3	167.1	22.1	-14.6	0	0	0	0	114.3
1018	F	29.1	Very low	30.3	Very low	208 Å²	208	133 Å²	133	91%	0.912	72%	0.718	S	S	*	*			trans	78.8	137.6	150.3	-80.1	-62.4	0	0	0	123.9
1019	G	28.3	Very low	30.2	Very low	68 Å²	68	134.3 Å²	134.3	70%	0.701	72%	0.721	S	S	*	*			trans	99.4	89.7	153.7	0	0	0	0	0	115.5
1020	D	24.5	Very low	29.3	Very low	159 Å²	159	138.3 Å²	138.3	85%	0.85	73%	0.728	S	S	*	*				74	151.6	53.9	-161.2	19.3	0	0	0	114.8
1021	V	28.8	Very low	29	Very low	96 Å²	96	137.3 Å²	137.3	58%	0.582	73%	0.73	S	S	*	*			trans	77.2	93.8	167.4	-170.8	0	0	0	0	118.9
1022	R	25.2	Very low	28.7	Very low	204 Å²	204	136 Å²	136	77%	0.77	73%	0.733	S	S	*	*				54.5	148.7	124	-58.5	-179.1	-177.1	151.2	-1.6	123.1
1023	R	26.3	Very low	28.3	Very low	182 Å²	182	135.7 Å²	135.7	69%	0.687	74%	0.736	S	S	*	*				92.8	132.1	126.6	-93.5	168.7	173.8	-139.3	4.5	122.8
1024	E	27	Very low	28.1	Very low	119 Å²	119	139.2 Å²	139.2	56%	0.556	74%	0.739	S	S	*	*				89.6	122.3	129.4	-81.1	152.1	-164.8	0	0	121.8
1025	H	30.7	Very low	27.7	Very low	180 Å²	180	137.4 Å²	137.4	83%	0.833	74%	0.742	S	S	*	*			trans	69.8	148.2	164.2	-48.3	-17.4	0	0	0	114.7
1026	G	28.9	Very low	27.3	Very low	68 Å²	68	136.3 Å²	136.3	70%	0.701	74%	0.735	S	S	*	*			cis	145.6	154.5	10.2	0	0	0	0	0	107.2
1027	D	28.9	Very low	27.3	Very low	146 Å²	146	138.7 Å²	138.7	78%	0.781	73%	0.734	S	S	*	*			cis	-165.1	164.7	3.6	-134.5	-39.9	0	0	0	110.4
1028	S	30	Very low	27	Very low	93 Å²	93	141 Å²	141	65%	0.65	74%	0.735	S	S	*	*			trans	58.2	120.9	149.8	83	0	0	0	0	120.8
1029	V	28.8	Very low	27.1	Very low	142 Å²	142	137.7 Å²	137.7	86%	0.861	73%	0.726	S	S	*	*				88.8	145.9	85.4	167.6	0	0	0	0	115.6
1030	K	23.9	Very low	27.1	Very low	190 Å²	190	144.5 Å²	144.5	83%	0.826	73%	0.731	S	S	*	*			trans	-98.6	140.9	177.2	-61.1	174.6	178	177.1	0	111.7
1031	C	25.2	Very low	27.2	Very low	115 Å²	115	142.5 Å²	142.5	78%	0.777	73%	0.725	S	S	*	*			trans	63	156.9	160.9	-53.5	0	0	0	0	115.5
1032	T	26.5	Very low	26.9	Very low	129 Å²	129	146.1 Å²	146.1	79%	0.791	73%	0.733	S	S	*	*			cis	-146.3	153.3	26.3	43.1	0	0	0	0	114
1033	D	24.5	Very low	27	Very low	127 Å²	127	143.3 Å²	143.3	68%	0.679	73%	0.73	S	S	*	*			trans	63	163	139.2	-154.5	18.7	0	0	0	122.1
1034	R	26.3	Very low	27.1	Very low	203 Å²	203	140.6 Å²	140.6	77%	0.766	73%	0.729	S	S	*	*			trans	68.4	88.6	155.6	-83.9	160.5	-153.5	-124.2	-3.6	121.5
1035	S	26.2	Very low	27.2	Very low	102 Å²	102	141 Å²	141	71%	0.713	74%	0.74	S	S	*	*				90.3	137.6	104.3	75.3	0	0	0	0	120.6
1036	S	23.3	Very low	27	Very low	80 Å²	80	140.4 Å²	140.4	56%	0.559	74%	0.742	S	S	*	*			trans	-7.6	129.7	156.3	56.4	0	0	0	0	118.7
1037	Y	29.5	Very low	27.1	Very low	192 Å²	192	144.1 Å²	144.1	75%	0.753	74%	0.744	S	S	*	*				-158.9	120.4	92.4	-100.6	-93	0	0	0	106.3
1038	K	24.6	Very low	27.1	Very low	157 Å²	157	141.6 Å²	141.6	68%	0.683	74%	0.738	S	S	*	*				71.1	151.7	71.7	-78.1	176	173.4	172.6	0	114.2
1039	L	31.2	Very low	27.2	Very low	139 Å²	139	146.3 Å²	146.3	73%	0.728	75%	0.747	S	S	*	*			trans	86.9	130.3	-179.2	-51.3	164.8	0	0	0	113.9
1040	R	29.2	Very low	27.8	Very low	211 Å²	211	144.1 Å²	144.1	80%	0.796	74%	0.736	S	S	*	*			cis	-157.9	120	-18.9	-130.9	172.1	-167.2	159.1	0.9	109.2
1041	T	25.8	Very low	28.1	Very low	118 Å²	118	145.1 Å²	145.1	72%	0.724	73%	0.734	S	S	*	*				42.4	145.8	118.9	-36.1	0	0	0	0	120.6
1042	F	23.7	Very low	28.4	Very low	171 Å²	171	147 Å²	147	75%	0.75	73%	0.731	S	S	*	*			trans	76.6	103.7	163.3	-92.9	-68	0	0	0	118.6
1043	M	27.2	Very low	28.6	Very low	146 Å²	146	147.2 Å²	147.2	72%	0.719	73%	0.727	S	S	*	*				174.5	139.8	97.4	-95.1	-61.6	178.1	0	0	114.4
1044	N	27.8	Very low	29	Very low	125 Å²	125	149.1 Å²	149.1	67%	0.668	73%	0.732	S	S	*	*			trans	8.9	133.3	147.2	-58.5	-2.3	0	0	0	119.8
1045	T	28.6	Very low	29.2	Very low	128 Å²	128	143.3 Å²	143.3	79%	0.785	72%	0.723	S	S	*	*				74.5	113.8	55.8	-52.5	0	0	0	0	114.9
1046	L	27	Very low	29.4	Very low	166 Å²	166	145.7 Å²	145.7	87%	0.869	73%	0.727	S	S	*	*	S	Bend	trans	-108.8	138.8	154.7	-77.8	165.2	0	0	0	106
1047	I	30.1	Very low	29.6	Very low	146 Å²	146	146.4 Å²	146.4	75%	0.749	73%	0.733	S	S	*	*			cis	-131.5	155.4	12	-63.9	-177.5	0	0	0	111.5
1048	S	29.5	Very low	29.5	Very low	94 Å²	94	143.1 Å²	143.1	66%	0.657	74%	0.736	S	S	*	*			trans	-57.4	170.5	173.2	64.1	0	0	0	0	116
1049	K	31.3	Very low	29.6	Very low	192 Å²	192	141.3 Å²	141.3	84%	0.835	74%	0.738	S	S	*	*			cis	174.1	-169.8	-0.2	-109.8	-174.5	176.1	-177.8	0	107.9
1050	P	42.3	Very low	29.4	Very low	95 Å²	95	142 Å²	142	62%	0.617	74%	0.742	S	S	*	*			cis	-143	-172.3	-44.2	41.6	-23.7	0	0	0	116.1
1051	R	31.1	Very low	29.3	Very low	211 Å²	211	136.4 Å²	136.4	80%	0.796	73%	0.734	S	S	*	*			trans	93.1	128.2	153.2	-70.7	-178.6	168.1	154.8	-0	119.2
1052	E	31	Very low	29.3	Very low	154 Å²	154	135.6 Å²	135.6	72%	0.72	73%	0.734	S	S	*	*			cis	103	145.2	29.7	-77	174.9	179.3	0	0	112.3
1053	L	30.7	Very low	29.3	Very low	134 Å²	134	133.8 Å²	133.8	70%	0.702	73%	0.732	S	S	*	*			cis	-166	176	13.6	-127.1	170.1	0	0	0	113.5
1054	Q	32.2	Very low	29.2	Very low	167 Å²	167	133 Å²	133	78%	0.78	73%	0.731	S	S	*	*			trans	82.4	146.4	158.1	-71.5	170.7	19.1	0	0	120.2
1055	S	29.9	Very low	29.1	Very low	82 Å²	82	132 Å²	132	57%	0.573	73%	0.734	S	S	*	*			cis	-172.1	158.5	-11.4	52.8	0	0	0	0	114.4
1056	N	30.8	Very low	28.8	Very low	151 Å²	151	130.4 Å²	130.4	81%	0.807	73%	0.727	S	S	*	*			trans	70.8	157.4	158.7	-57.2	-17.9	0	0	0	118.6
1057	S	27.6	Very low	28.7	Very low	96 Å²	96	129 Å²	129	67%	0.671	72%	0.721	S	S	*	*			cis	-175.6	152.4	-26.2	56.2	0	0	0	0	111.7
1058	C	27.5	Very low	28.8	Very low	122 Å²	122	129.5 Å²	129.5	82%	0.824	72%	0.724	S	S	*	*			trans	70.4	162.3	163	-62	0	0	0	0	117.8
1059	V	27.1	Very low	29.1	Very low	119 Å²	119	130.5 Å²	130.5	72%	0.721	73%	0.729	S	S	*	*			cis	-164.3	148.5	-18.6	131.4	0	0	0	0	110.8
1060	L	26.7	Very low	29	Very low	155 Å²	155	126.3 Å²	126.3	81%	0.812	72%	0.722	S	S	*	*			trans	45.3	130.9	157.2	-73.2	170.4	0	0	0	125.5
1061	S	27.2	Very low	28.4	Very low	92 Å²	92	130.7 Å²	130.7	64%	0.643	73%	0.734	S	S	*	*				62.1	116.2	128.1	76	0	0	0	0	124.9
1062	S	25.7	Very low	28.4	Very low	101 Å²	101	128.7 Å²	128.7	71%	0.706	73%	0.734	S	S	*	*				61	133.8	125	68.4	0	0	0	0	123.7
1063	N	25	Very low	28.7	Very low	133 Å²	133	125.9 Å²	125.9	71%	0.711	73%	0.729	S	S	*	*			trans	84	137.6	141.3	-90.8	56.1	0	0	0	121.6
1064	D	24.7	Very low	28.7	Very low	131 Å²	131	125.9 Å²	125.9	70%	0.701	74%	0.739	S	S	*	*			trans	64.2	126.4	149	-58	-42	0	0	0	122.3
1065	S	24.2	Very low	28.5	Very low	104 Å²	104	124.7 Å²	124.7	73%	0.727	74%	0.738	S	S	*	*			trans	75.6	131.7	140.1	64.2	0	0	0	0	121.7
1066	S	23.8	Very low	28.8	Very low	93 Å²	93	129 Å²	129	65%	0.65	75%	0.753	S	S	*	*			trans	67	130	137.4	54	0	0	0	0	122
1067	D	25.4	Very low	28.7	Very low	137 Å²	137	127.3 Å²	127.3	73%	0.733	75%	0.748	S	S	*	*			trans	72.7	105.2	137.3	-54.1	-14	0	0	0	121.1
1068	L	31	Very low	28.9	Very low	157 Å²	157	131 Å²	131	82%	0.822	76%	0.759	S	S	*	*				29.5	141.4	102.8	-69.7	160.5	0	0	0	117.8
1069	P	36.6	Very low	29	Very low	115 Å²	115	129.5 Å²	129.5	75%	0.747	76%	0.756	S	S	*	*				-144.5	145.2	107.4	35.8	-22	0	0	0	117.1
1070	C	27.9	Very low	29.1	Very low	104 Å²	104	128.6 Å²	128.6	70%	0.703	76%	0.755	S	S	*	*			trans	67	145.6	148.9	-65.4	0	0	0	0	120.1
1071	E	30.5	Very low	29.4	Very low	187 Å²	187	126 Å²	126	87%	0.874	75%	0.749	S	S	*	*			cis	-116.3	119.2	1.6	-68.2	-177.3	147.8	0	0	109.4
1072	Q	30.6	Very low	29.5	Very low	168 Å²	168	129.8 Å²	129.8	79%	0.785	76%	0.756	S	S	*	*				81.9	143	75.9	-79.9	-96.5	-47.2	0	0	113.9
1073	P	37.7	Very low	29.7	Very low	96 Å²	96	132.6 Å²	132.6	62%	0.623	76%	0.762	S	S	*	*				-139.6	-175.7	-121.5	43.5	-27.1	0	0	0	116
1074	C	31.6	Very low	29.9	Very low	133 Å²	133	131.3 Å²	131.3	90%	0.899	76%	0.763	S	S	*	*			trans	-162	129.8	143.1	-134.8	0	0	0	0	112.4
1075	D	26.4	Very low	29.9	Very low	142 Å²	142	129.6 Å²	129.6	76%	0.759	75%	0.754	S	S	*	*			trans	-91	156.6	179.9	-70.8	-73.3	0	0	0	114.3
1076	I	36	Very low	30.2	Very low	173 Å²	173	129.4 Å²	129.4	89%	0.887	75%	0.753	S	S	*	*				-157.7	147.3	129.8	-102.8	157.7	0	0	0	109.2
1077	T	29.8	Very low	30.3	Very low	115 Å²	115	127.9 Å²	127.9	71%	0.706	74%	0.742	S	S	*	*			trans	-98.9	143.2	-165.6	49.8	0	0	0	0	114.7
1078	L	31.2	Very low	30.4	Very low	175 Å²	175	125.1 Å²	125.1	92%	0.916	73%	0.73	S	S	*	*				179.1	165	116.5	-95.3	163.5	0	0	0	113.1
1079	A	30.3	Very low	30.5	Very low	90 Å²	90	122.4 Å²	122.4	74%	0.744	72%	0.722	S	S	*	*			trans	-92	174.2	-173.6	0	0	0	0	0	112.3
1080	S	29.9	Very low	30	Very low	100 Å²	100	122.8 Å²	122.8	70%	0.699	72%	0.716	S	S	*	*			cis	-170.1	159.8	3.7	36.8	0	0	0	0	110.9
1081	S	31.1	Very low	30.2	Very low	99 Å²	99	123.5 Å²	123.5	69%	0.692	72%	0.72	S	S	*	*			trans	61.6	129	157.1	52.4	0	0	0	0	118.1
1082	H	30.1	Very low	29.9	Very low	172 Å²	172	122.7 Å²	122.7	80%	0.796	72%	0.719	S	S	*	*			cis	61.1	136.3	38	-56.2	-65.9	0	0	0	113.6
1083	L	30.3	Very low	29.9	Very low	160 Å²	160	119 Å²	119	84%	0.838	72%	0.718	S	S	*	*			cis	-119.4	168.3	16.1	-83.9	79.6	0	0	0	111
1084	C	28.4	Very low	29.5	Very low	107 Å²	107	124.2 Å²	124.2	72%	0.723	73%	0.731	S	S	*	*			cis	95.5	150.3	32.2	-56	0	0	0	0	116
1085	N	25	Very low	29.3	Very low	95 Å²	95	124 Å²	124	51%	0.508	73%	0.725	S	S	.	*			trans	-113.5	171.6	-155.5	-37.4	-39.2	0	0	0	115	Q843 N844	Q843-N1085 WeakPolarHBondContact O-CB 3.16Å; Q843-N1085 PolarHBondContact O-ND2 2.81Å; N844-N1085 PolarHBondContact O-ND2 2.64Å
1086	S	29.8	Very low	29.3	Very low	100 Å²	100	126 Å²	126	70%	0.699	73%	0.727	S	S	*	*			trans	164.4	160.4	137	49	0	0	0	0	116.6	I841	I841-S1086 CarbonylContact C-O 3.6Å; I841-S1086 VanDerWaalsContact C-O 3.32Å; I841-S1086 PolarHBondContact N-O 3.26Å; I841-S1086 CarbonylContact O-C 3.52Å
1087	S	27.1	Very low	29.4	Very low	60 Å²	60	122.8 Å²	122.8	42%	0.42	72%	0.717	S	S	.	*			trans	-105.3	169.6	-162.5	41.4	0	0	0	0	118.4	I842	I842-S1087 VanDerWaalsContact N-CB 3.31Å
1088	T	27.4	Very low	29.2	Very low	79 Å²	79	122.8 Å²	122.8	49%	0.485	72%	0.721	S	S	.	*			trans	124.3	178.9	146.4	71.3	0	0	0	0	118.9	Y840	Y840-T1088 WeakPolarHBondContact CA-O 3.32Å; Y840-T1088 VanDerWaalsContact CD1-CA 3.41Å; Y840-T1088 WeakPolarHBondContact CD2-O 3.04Å; Y840-T1088 VanDerWaalsContact CE1-CA 3.49Å; Y840-T1088 HydrophobicContact CE1-CG2 4.13Å; Y840-T1088 PolarHBondContact N-O 3.08Å
1089	P	32.3	Very low	29.1	Very low	101 Å²	101	119.6 Å²	119.6	66%	0.656	71%	0.713	S	S	*	*			trans	45	114.6	-151.7	29.4	-2.7	0	0	0	126.2	Y840	Y840-P1089 WeakPolarHBondContact CD2-O 3.21Å; Y840-P1089 WeakPolarHBondContact CE2-O 3.23Å
1090	I	27.2	Very low	29	Very low	122 Å²	122	120.3 Å²	120.3	63%	0.626	71%	0.713	S	S	*	*			trans	-132.3	128.8	151.5	-82.6	158.6	0	0	0	107.6	Y840 I1092	Y840-I1090 HydrophobicContact CD2-CB 4.41Å; Y840-I1090 HydrophobicContact CD2-CD1 3.87Å; Y840-I1090 HydrophobicContact CD2-CG1 3.7Å; Y840-I1090 HydrophobicContact CE2-CB 3.83Å; Y840-I1090 HydrophobicContact CE2-CD1 3.67Å; Y840-I1090 HydrophobicContact CE2-CG1 3.56Å; Y840-I1090 VanDerWaalsContact CE2-N 3.26Å; I1090-I1092 HydrophobicContact CG2-CG1 4.46Å
1091	P	31.4	Very low	29	Very low	120 Å²	120	121.7 Å²	121.7	78%	0.779	72%	0.717	S	S	*	*			trans	-106.6	140.7	157	33.9	-24.4	0	0	0	111.3
1092	I	25.4	Very low	29	Very low	169 Å²	169	123 Å²	123	87%	0.867	72%	0.72	S	S	*	*			trans	-89.6	120	177.6	-63.8	172.7	0	0	0	110	I1090	I1090-I1092 HydrophobicContact CG2-CG1 4.46Å
1093	A	29.9	Very low	29	Very low	92 Å²	92	121 Å²	121	76%	0.76	72%	0.72	S	S	*	*			trans	-148.5	104.7	170.9	0	0	0	0	0	113.7
1094	K	28.3	Very low	29	Very low	204 Å²	204	116.2 Å²	116.2	89%	0.887	71%	0.709	S	S	*	*			trans	31.5	96.8	153.7	-63.4	-171.2	175.6	-173.3	0	120.5
1095	V	28.9	Very low	29.1	Very low	128 Å²	128	118.5 Å²	118.5	78%	0.776	72%	0.715	S	S	*	*				-42.7	142.1	128.9	160	0	0	0	0	110.1
1096	K	26.6	Very low	29.4	Very low	185 Å²	185	118.5 Å²	118.5	80%	0.804	72%	0.722	S	S	*	*			cis	-168	-169.9	5.5	-121.6	178.6	-163.8	171.5	0	107.6
1097	P	37.3	Very low	29.3	Very low	105 Å²	105	119.1 Å²	119.1	68%	0.682	73%	0.725	S	S	*	*			cis	-136	-171.6	-17.1	34.7	-13.4	0	0	0	115.7
1098	C	25.1	Very low	29.5	Very low	116 Å²	116	122.5 Å²	122.5	78%	0.784	74%	0.744	S	S	*	*			trans	98.2	129.9	145.3	-76.6	0	0	0	0	123.4
1099	S	28.7	Very low	29.7	Very low	108 Å²	108	124 Å²	124	76%	0.755	75%	0.752	S	S	*	*			trans	63.3	86.8	154.2	47.8	0	0	0	0	122.6
1100	S	28.7	Very low	29.7	Very low	104 Å²	104	125 Å²	125	73%	0.727	76%	0.757	S	S	*	*				102.9	141.5	109.1	77.2	0	0	0	0	122.5
1101	T	30.2	Very low	29.8	Very low	129 Å²	129	125.5 Å²	125.5	79%	0.791	76%	0.76	S	S	*	*			trans	76.3	113.9	155.1	43.3	0	0	0	0	123.2
1102	V	30.6	Very low	29.7	Very low	126 Å²	126	127.4 Å²	127.4	76%	0.764	76%	0.764	S	S	*	*				107.5	97.3	122	166.2	0	0	0	0	121.1
1103	V	31.2	Very low	30	Very low	130 Å²	130	124 Å²	124	79%	0.788	76%	0.76	S	S	*	*			trans	77.3	117.9	130.8	175.8	0	0	0	0	121.3
1104	G	29.3	Very low	29.8	Very low	60 Å²	60	127.6 Å²	127.6	62%	0.619	77%	0.766	S	S	*	*				145.7	128.5	99.2	0	0	0	0	0	121.4
1105	N	31.4	Very low	30.3	Very low	156 Å²	156	123.1 Å²	123.1	83%	0.834	76%	0.758	S	S	*	*			trans	73.3	151.6	135.1	-65.3	-16.6	0	0	0	120.3
1106	S	31.2	Very low	31.2	Very low	94 Å²	94	122.9 Å²	122.9	66%	0.657	76%	0.759	S	S	*	*			cis	-171.6	146.6	-10	46.8	0	0	0	0	114.8
1107	C	27.4	Very low	31.3	Very low	113 Å²	113	119 Å²	119	76%	0.764	76%	0.755	S	S	*	*			trans	59.9	152.6	144.2	-59.4	0	0	0	0	119.4
1108	T	32	Very low	30.8	Very low	132 Å²	132	121 Å²	121	81%	0.81	76%	0.759	S	S	*	*				-168.2	174	52.8	44.8	0	0	0	0	111.6
1109	T	29.9	Very low	31	Very low	109 Å²	109	126 Å²	126	67%	0.669	76%	0.761	S	S	*	*			cis	-176.6	176	-31.3	-68.5	0	0	0	0	107.6
1110	T	32.3	Very low	30.8	Very low	122 Å²	122	127.1 Å²	127.1	75%	0.748	76%	0.759	S	S	*	*			trans	111.1	144.1	154.1	72.6	0	0	0	0	117.2
1111	L	30.1	Very low	30.9	Very low	134 Å²	134	127.6 Å²	127.6	70%	0.702	76%	0.757	S	S	*	*			cis	-160.4	151.5	-12.1	-118.7	167.7	0	0	0	111.4
1112	N	28.7	Very low	30.8	Very low	160 Å²	160	126.7 Å²	126.7	86%	0.856	76%	0.756	S	S	*	*				165.1	100.7	128.5	-89.2	-34.4	0	0	0	114.3
1113	A	31.5	Very low	30.7	Very low	96 Å²	96	125.1 Å²	125.1	79%	0.793	75%	0.751	S	S	*	*			trans	-172.2	138.8	148.6	0	0	0	0	0	112.1
1114	L	27.6	Very low	30.6	Very low	169 Å²	169	125.3 Å²	125.3	89%	0.885	75%	0.746	S	S	*	*			trans	-158.6	172.7	177.1	-89.7	170.2	0	0	0	107
1115	P	38.4	Very low	30.5	Very low	110 Å²	110	130.1 Å²	130.1	71%	0.714	75%	0.752	S	S	*	*			cis	-127.6	-128.3	6.3	26.6	0.8	0	0	0	112.9
1116	P	46.7	Very low	30.5	Very low	122 Å²	122	130.8 Å²	130.8	79%	0.792	75%	0.751	S	S	*	*				-121.4	-173.9	-95.7	39.6	-24	0	0	0	115.9
1117	S	28.2	Very low	30.4	Very low	104 Å²	104	129.3 Å²	129.3	73%	0.727	75%	0.751	S	S	*	*			trans	-111.5	172.5	-174.2	55.3	0	0	0	0	114.6
1118	I	28.1	Very low	30.7	Very low	148 Å²	148	132 Å²	132	76%	0.759	76%	0.757	S	S	*	*			trans	148.7	145.3	139	-78.7	163.1	0	0	0	114.8
1119	R	28.5	Very low	30.4	Very low	219 Å²	219	132.1 Å²	132.1	83%	0.826	75%	0.753	S	S	*	*			trans	90.3	112	157.2	-92.8	169.6	-166.4	-168.8	4.8	123
1120	N	25.5	Very low	30.8	Very low	132 Å²	132	132.5 Å²	132.5	71%	0.706	76%	0.757	S	S	*	*				87.7	141.3	120.2	-82.9	18.3	0	0	0	124.4
1121	T	29.7	Very low	30.9	Very low	114 Å²	114	131.4 Å²	131.4	70%	0.699	76%	0.755	S	S	*	*			trans	68	127.3	144.6	46.8	0	0	0	0	121.5
1122	S	28.2	Very low	30.9	Very low	110 Å²	110	133.3 Å²	133.3	77%	0.769	76%	0.764	S	S	*	*			trans	62.7	145.6	144.4	50.1	0	0	0	0	119.6
1123	S	29.8	Very low	30.9	Very low	93 Å²	93	129.5 Å²	129.5	65%	0.65	75%	0.749	S	S	*	*			cis	-178	160.1	-7.9	49.2	0	0	0	0	111.3
1124	I	28.4	Very low	30.8	Very low	135 Å²	135	135.1 Å²	135.1	69%	0.692	75%	0.749	S	S	*	*			trans	59.9	113.2	138.9	-70.8	165.5	0	0	0	119.2
1125	Q	27.9	Very low	30.8	Very low	160 Å²	160	133 Å²	133	75%	0.748	74%	0.739	S	S	*	*			trans	61.4	165.4	143.2	-67.2	171.3	-7	0	0	117.5
1126	Q	29.7	Very low	30.3	Very low	170 Å²	170	136 Å²	136	79%	0.794	74%	0.741	S	S	*	*			cis	-156	156.2	-9.4	-114.9	155.7	22.1	0	0	104.8
1127	G	30.6	Very low	29.5	Very low	64 Å²	64	138.1 Å²	138.1	66%	0.66	74%	0.74	S	S	*	*			cis	174.5	-170.7	0.1	0	0	0	0	0	110.1
1128	N	32.6	Very low	29.4	Very low	168 Å²	168	139 Å²	139	90%	0.898	74%	0.741	S	S	*	*			trans	72.4	86.5	166.8	-59	-0.2	0	0	0	119.6
1129	D	25.1	Very low	29.4	Very low	135 Å²	135	141 Å²	141	72%	0.722	75%	0.745	S	S	*	*				-32	165.6	127	-102.5	-59.3	0	0	0	114.8
1130	P	39.2	Very low	29.1	Very low	117 Å²	117	137.2 Å²	137.2	76%	0.76	74%	0.741	S	S	*	*			cis	-143.7	147.6	39.3	38.6	-18.2	0	0	0	119.4
1131	S	34.5	Very low	29.2	Very low	100 Å²	100	139.1 Å²	139.1	70%	0.699	75%	0.746	S	S	*	*	S	Bend		179.3	123.7	104.1	38.2	0	0	0	0	115.2
1132	I	30.4	Very low	29	Very low	174 Å²	174	141 Å²	141	89%	0.892	75%	0.751	S	S	*	*			trans	65.2	67.5	158.7	-46.2	-175.2	0	0	0	117.1
1133	C	28.6	Very low	28.8	Very low	79 Å²	79	140.5 Å²	140.5	53%	0.534	75%	0.746	S	S	.	*			trans	-90.8	172.1	141.6	-74	0	0	0	0	109.4
1134	R	29.7	Very low	28.7	Very low	214 Å²	214	143.6 Å²	143.6	81%	0.808	75%	0.75	S	S	*	*			cis	-171.2	173.9	-11.7	-98.4	166.9	-160.4	139.4	6.4	104.4
1135	N	27.8	Very low	28.8	Very low	126 Å²	126	145 Å²	145	67%	0.674	75%	0.747	S	S	*	*			cis	-145.5	178.3	5.1	-116.6	5.9	0	0	0	106.2
1136	K	28	Very low	28.8	Very low	171 Å²	171	146.8 Å²	146.8	74%	0.743	75%	0.748	S	S	*	*			cis	82.5	121.7	35.4	-144.6	-173.5	-176.9	177.9	0	115.6
1137	Q	28.1	Very low	28.8	Very low	168 Å²	168	148.9 Å²	148.9	79%	0.785	75%	0.749	S	S	*	*			trans	74.8	140.8	177.3	-52.5	-180	-73	0	0	114.9
1138	T	26.6	Very low	29	Very low	121 Å²	121	150.9 Å²	150.9	74%	0.742	75%	0.75	S	S	*	*			cis	-155.3	148.6	2.2	-10.7	0	0	0	0	111.5
1139	F	27.6	Very low	28.8	Very low	190 Å²	190	148.8 Å²	148.8	83%	0.833	74%	0.743	S	S	*	*			trans	42.8	150.3	155.4	-118.7	-98.1	0	0	0	122.6
1140	D	23.3	Very low	28.9	Very low	141 Å²	141	150.2 Å²	150.2	75%	0.754	75%	0.747	S	S	*	*			trans	68.2	156.1	175.6	-73.6	-21.3	0	0	0	119.9
1141	Q	28.4	Very low	28.4	Very low	172 Å²	172	149.2 Å²	149.2	80%	0.804	74%	0.741	S	S	*	*			trans	72.1	113.1	-178.5	-56.7	-162.1	6.9	0	0	115.2
1142	L	23.9	Very low	28	Very low	154 Å²	154	153.1 Å²	153.1	81%	0.806	75%	0.747	S	S	*	*				59.5	137.4	81.2	-83.1	113.3	0	0	0	112.5
1143	C	24.6	Very low	28.5	Very low	99 Å²	99	149.4 Å²	149.4	67%	0.669	74%	0.735	S	S	*	*			cis	-179.8	168.9	-13.5	-126	0	0	0	0	106.9
1144	Q	28.7	Very low	28.3	Very low	157 Å²	157	154.5 Å²	154.5	73%	0.734	75%	0.748	S	S	*	*			trans	67.3	148.4	171.4	-59	168.1	38.8	0	0	114.2
1145	R	29.8	Very low	28.1	Very low	166 Å²	166	153 Å²	153	63%	0.626	75%	0.747	S	S	*	*	S	Bend	cis	-155.8	149.6	4.8	-124.7	163.1	172.8	152.5	-8.2	106.7
1146	Y	28	Very low	27.9	Very low	196 Å²	196	152.8 Å²	152.8	77%	0.769	75%	0.751	S	S	*	*	S	Bend	cis	-130.8	119.9	14.5	-82.6	-93.4	0	0	0	113.5
1147	R	29.5	Very low	27.7	Very low	215 Å²	215	151.2 Å²	151.2	81%	0.811	75%	0.751	S	S	*	*				-101.8	-172.5	119.7	-122.2	-167	-172.9	-162.7	4.1	106.1
1148	P	34.8	Very low	27.9	Very low	106 Å²	106	149.4 Å²	149.4	69%	0.688	75%	0.753	S	S	*	*			cis	-126.3	178.3	17.7	26.5	-0.3	0	0	0	112.8
1149	V	28.2	Very low	27.7	Very low	123 Å²	123	150.4 Å²	150.4	75%	0.745	75%	0.753	S	S	*	*				163.9	138	83.1	161.3	0	0	0	0	103
1150	M	27.6	Very low	27.6	Very low	166 Å²	166	152.6 Å²	152.6	82%	0.818	76%	0.756	S	S	*	*			cis	-151.4	168.9	-2.9	-99.2	-88.8	-129.2	0	0	108.7
1151	P	29.2	Very low	28.1	Very low	95 Å²	95	150.7 Å²	150.7	62%	0.617	75%	0.751	S	S	*	*			trans	-106.5	175.8	177	39.9	-31.3	0	0	0	115.1
1152	H	24.8	Very low	27.9	Very low	182 Å²	182	151.8 Å²	151.8	84%	0.843	75%	0.753	S	S	*	*			trans	-15.5	168.5	155.6	-65.3	-59.6	0	0	0	120.8
1153	P	40.6	Very low	28	Very low	96 Å²	96	156.1 Å²	156.1	62%	0.623	76%	0.759	S	S	*	*			cis	-140.1	-179.9	-29.3	37.6	-20.5	0	0	0	113.6
1154	F	25.7	Very low	28	Very low	187 Å²	187	161.5 Å²	161.5	82%	0.82	77%	0.767	S	S	*	*				176.1	170.1	121.9	-104.1	-72.3	0	0	0	112.9
1155	K	23.8	Very low	27.9	Very low	181 Å²	181	160.7 Å²	160.7	79%	0.787	77%	0.767	S	S	*	*			trans	-46.2	152.1	173.8	-55.5	169.3	179.5	-174.8	0	112.1
1156	T	25	Very low	27.9	Very low	122 Å²	122	157.6 Å²	157.6	75%	0.748	77%	0.767	S	S	*	*				-156.1	173	51.5	45.2	0	0	0	0	114.6
1157	D	24.1	Very low	27.8	Very low	139 Å²	139	156.7 Å²	156.7	74%	0.743	77%	0.77	S	S	*	*			trans	-32.8	147.7	170.2	-28.4	-52	0	0	0	118.2
1158	P	30.6	Very low	27.8	Very low	129 Å²	129	150.8 Å²	150.8	84%	0.838	76%	0.761	S	S	*	*			trans	-113.3	107.2	154.3	34.6	-22.4	0	0	0	111.8
1159	I	24.4	Very low	27.5	Very low	142 Å²	142	150.4 Å²	150.4	73%	0.728	76%	0.76	S	S	*	*			trans	-109	153.4	157	-48.4	175.6	0	0	0	107
1160	W	25.3	Very low	27.6	Very low	237 Å²	237	152.4 Å²	152.4	90%	0.898	76%	0.761	S	S	*	*			trans	109	147.6	167.1	-69.5	80.7	0	0	0	117.1
1161	P	33.7	Very low	27.8	Very low	100 Å²	100	149.4 Å²	149.4	65%	0.649	75%	0.753	S	S	*	*			trans	-130.4	-162.6	-141.1	45.4	-30.3	0	0	0	114.5
1162	F	23.9	Very low	27.9	Very low	196 Å²	196	153.6 Å²	153.6	86%	0.86	76%	0.764	S	S	*	*			trans	-26.4	129.5	165.8	-77	-95.3	0	0	0	116.6
1163	R	25.7	Very low	28.2	Very low	244 Å²	244	148.4 Å²	148.4	92%	0.921	76%	0.759	S	S	*	*				-163.2	140.1	120.6	-109.3	175.7	-170.2	-161.7	3	112.4
1164	Y	25.3	Very low	27.7	Very low	212 Å²	212	148.6 Å²	148.6	83%	0.831	77%	0.769	S	S	*	*			trans	-83.4	137.2	160.2	-93.5	-109.2	0	0	0	109.3
1165	N	26.7	Very low	28.1	Very low	140 Å²	140	149.2 Å²	149.2	75%	0.749	78%	0.775	S	S	*	*				177	146.7	114.6	-99.9	-3.3	0	0	0	115.2
1166	T	27.9	Very low	28.4	Very low	102 Å²	102	149.3 Å²	149.3	63%	0.626	78%	0.778	S	S	*	*			trans	55.5	118.1	145.6	58	0	0	0	0	122.4
1167	E	27.4	Very low	28.9	Very low	177 Å²	177	149.2 Å²	149.2	83%	0.827	77%	0.773	S	S	*	*				75.2	147.3	127.4	-70.4	177.1	-143.4	0	0	120.8
1168	S	29.9	Very low	29.2	Very low	90 Å²	90	151.9 Å²	151.9	63%	0.629	77%	0.773	S	S	*	*			cis	-165.6	175.1	-8.4	50.6	0	0	0	0	112.5
1169	C	27.3	Very low	29.1	Very low	99 Å²	99	153 Å²	153	67%	0.669	77%	0.77	S	S	*	*			trans	69.1	153.4	160.4	-64.6	0	0	0	0	118
1170	Q	31.5	Very low	29.5	Very low	164 Å²	164	154 Å²	154	77%	0.766	78%	0.775	S	S	*	*			cis	-160.6	162.5	-13.1	-113.1	175.6	85	0	0	106.1
1171	T	30.6	Very low	29.6	Very low	103 Å²	103	149 Å²	149	63%	0.632	77%	0.771	S	S	*	*			cis	-144.4	-151.4	11.8	-14.9	0	0	0	0	106.6
1172	H	31.8	Very low	29.5	Very low	183 Å²	183	150.1 Å²	150.1	85%	0.847	78%	0.781	S	S	*	*			cis	-159.8	141.9	1.8	-137.1	-55.5	0	0	0	109.2
1173	G	30.1	Very low	29.7	Very low	73 Å²	73	145.2 Å²	145.2	75%	0.753	78%	0.776	S	S	*	*			trans	147.8	127.7	168.3	0	0	0	0	0	113.1
1174	A	32	Very low	30	Very low	101 Å²	101	141.4 Å²	141.4	84%	0.835	77%	0.774	S	S	*	*			trans	-150.1	143.5	-174.7	0	0	0	0	0	112.5
1175	Q	33.5	Very low	30.3	Very low	199 Å²	199	136.3 Å²	136.3	93%	0.93	76%	0.762	S	S	*	*			trans	-156.4	163	153.9	-127.2	174.7	-41.4	0	0	110.8
1176	E	30.6	Very low	30.6	Very low	183 Å²	183	136.2 Å²	136.2	86%	0.855	76%	0.757	S	S	*	*			trans	-114.5	154.5	-163.3	-52.8	157.3	110.4	0	0	111.8
1177	D	33.8	Very low	30.7	Very low	121 Å²	121	139 Å²	139	65%	0.647	76%	0.76	S	S	*	*				-167.9	149.6	117.2	-129.2	-26.3	0	0	0	114.8
1178	R	31.3	Very low	30.9	Very low	195 Å²	195	136.8 Å²	136.8	74%	0.736	76%	0.758	S	S	*	*			trans	39.6	126.4	158.1	-70.6	147.1	-142.3	-136.9	8	121.9
1179	I	28.7	Very low	31	Very low	152 Å²	152	136.7 Å²	136.7	78%	0.779	76%	0.758	S	S	*	*				66.1	116.2	58.1	-55.6	163	0	0	0	111.1
1180	I	31.7	Very low	31.1	Very low	163 Å²	163	137.3 Å²	137.3	84%	0.836	76%	0.763	S	S	*	*				-147.5	149.8	81.2	-78.7	170	0	0	0	112.5
1181	T	28.1	Very low	31	Very low	131 Å²	131	134.1 Å²	134.1	80%	0.804	76%	0.759	S	S	*	*			trans	-96.6	149.9	173.7	52.7	0	0	0	0	114.1
1182	S	32	Very low	30.8	Very low	125 Å²	125	136.8 Å²	136.8	87%	0.874	77%	0.768	S	S	*	*			trans	-151.8	150.8	142.2	74.3	0	0	0	0	111.6
1183	A	28.7	Very low	30.7	Very low	92 Å²	92	132.8 Å²	132.8	76%	0.76	76%	0.76	S	S	*	*			trans	-154.6	142.6	177.1	0	0	0	0	0	110.1
1184	N	31.3	Very low	30.5	Very low	164 Å²	164	137.4 Å²	137.4	88%	0.877	76%	0.762	S	S	*	*			trans	171.1	150.9	164.6	-96.8	-11.6	0	0	0	109
1185	D	30.8	Very low	30.6	Very low	105 Å²	105	137.8 Å²	137.8	56%	0.561	75%	0.754	S	S	*	*			cis	-164.1	169	-12.5	-178.9	23.7	0	0	0	108.6
1186	Q	32.9	Very low	30.5	Very low	138 Å²	138	135.3 Å²	135.3	65%	0.645	75%	0.747	S	S	*	*			trans	82.1	103.4	162.1	-45	-155.1	9.2	0	0	116.8
1187	K	31.2	Very low	30.6	Very low	161 Å²	161	132.1 Å²	132.1	70%	0.7	74%	0.736	S	S	*	*				83.8	137.9	80.7	-73.8	158.3	-170.4	155.6	0	111.3
1188	V	32.1	Very low	30.6	Very low	130 Å²	130	133.4 Å²	133.4	79%	0.788	74%	0.738	S	S	*	*			cis	-138	149.7	39.5	170.1	0	0	0	0	113.3
1189	S	30.3	Very low	30.5	Very low	89 Å²	89	134.3 Å²	134.3	62%	0.622	74%	0.741	S	S	*	*			trans	-27.7	144.6	169.2	45.3	0	0	0	0	118.2
1190	S	29.6	Very low	30.5	Very low	112 Å²	112	133 Å²	133	78%	0.783	74%	0.74	S	S	*	*				66.8	150.3	56.4	93.1	0	0	0	0	113.9
1191	S	31	Very low	30.3	Very low	96 Å²	96	131.8 Å²	131.8	67%	0.671	73%	0.734	S	S	*	*			cis	-167.1	148.6	18	55.4	0	0	0	0	115.5
1192	L	26.2	Very low	30.3	Very low	159 Å²	159	130.6 Å²	130.6	83%	0.832	73%	0.727	S	S	*	*			trans	64	157.9	138.9	-93	84.5	0	0	0	125
1193	C	28.5	Very low	30	Very low	100 Å²	100	132.7 Å²	132.7	68%	0.676	73%	0.726	S	S	*	*			trans	81.4	145.4	154.8	-71.6	0	0	0	0	121
1194	E	27.3	Very low	30	Very low	169 Å²	169	131.5 Å²	131.5	79%	0.79	72%	0.723	S	S	*	*			cis	-173.4	-178.3	-22	-165.1	152.7	-147.1	0	0	110.3
1195	V	32.8	Very low	29.9	Very low	109 Å²	109	132.2 Å²	132.2	66%	0.661	72%	0.721	S	S	*	*			trans	92.5	101.3	156	-169.1	0	0	0	0	119.9
1196	N	31.8	Very low	29.7	Very low	148 Å²	148	132.4 Å²	132.4	79%	0.791	73%	0.727	S	S	*	*			trans	71.2	153.9	140.8	-64.3	5.3	0	0	0	123.3
1197	D	32.9	Very low	29.3	Very low	116 Å²	116	130.2 Å²	130.2	62%	0.62	73%	0.726	S	S	*	*			cis	-172.1	160.4	-30.5	-166	12.4	0	0	0	110.1
1198	Q	33	Very low	29	Very low	148 Å²	148	132.7 Å²	132.7	69%	0.692	74%	0.737	S	S	*	*			trans	64.3	153	160.6	-76.8	167.4	69.5	0	0	119.8
1199	R	30.3	Very low	28.6	Very low	214 Å²	214	131 Å²	131	81%	0.808	74%	0.738	S	S	*	*			cis	-176	154.1	-29.7	-119.9	-173.7	-170.2	177.5	0.2	109.6
1200	V	27.9	Very low	28.2	Very low	124 Å²	124	137.4 Å²	137.4	75%	0.752	76%	0.755	S	S	*	*			trans	68.1	147.1	150.3	166.4	0	0	0	0	118.2
1201	I	27.8	Very low	27.8	Very low	137 Å²	137	135.4 Å²	135.4	70%	0.703	75%	0.752	S	S	*	*			cis	-166.5	146.7	-35.5	-127.6	167.9	0	0	0	110.7
1202	T	27.7	Very low	27.4	Very low	107 Å²	107	138 Å²	138	66%	0.656	76%	0.763	S	S	*	*			trans	50.4	127.5	159.9	58.5	0	0	0	0	126.2
1203	I	27	Very low	27.2	Very low	168 Å²	168	134.5 Å²	134.5	86%	0.862	76%	0.757	S	S	*	*				70.1	133.9	128	-61.2	161.6	0	0	0	121.1
1204	G	27.3	Very low	26.9	Very low	68 Å²	68	139 Å²	139	70%	0.701	77%	0.768	S	S	*	*			trans	166.9	148.7	165.8	0	0	0	0	0	113
1205	E	28.7	Very low	26.9	Very low	178 Å²	178	136.9 Å²	136.9	83%	0.832	77%	0.772	S	S	*	*			trans	-145.9	-173.4	-173.5	-63.6	-168.8	-161.1	0	0	110.8
1206	T	27.7	Very low	26.6	Very low	110 Å²	110	136.9 Å²	136.9	68%	0.675	78%	0.777	S	S	*	*			cis	-156.4	151.5	13	-32.6	0	0	0	0	113.2
1207	S	25.1	Very low	26.4	Very low	91 Å²	91	139.5 Å²	139.5	64%	0.636	78%	0.784	S	S	*	*			trans	57.6	123.4	147.8	55.3	0	0	0	0	125.2
1208	F	24	Very low	26.2	Very low	213 Å²	213	137.9 Å²	137.9	93%	0.934	79%	0.787	S	S	*	*			trans	78.5	145.7	134.6	-73.3	-53.9	0	0	0	125.1
1209	A	23.1	Very low	26	Very low	96 Å²	96	141.8 Å²	141.8	79%	0.793	80%	0.796	S	S	*	*			trans	99.3	126	153.6	0	0	0	0	0	120.6
1210	F	21.6	Very low	26	Very low	223 Å²	223	135.2 Å²	135.2	98%	0.978	78%	0.783	S	S	*	*			trans	-42.7	147.5	179.3	-71.5	-102	0	0	0	118.6
1211	G	21.9	Very low	26.1	Very low	70 Å²	70	136.2 Å²	136.2	72%	0.722	79%	0.785	S	S	*	*			trans	163.2	92	151.4	0	0	0	0	0	118.3
1212	V	22	Very low	26	Very low	151 Å²	151	134 Å²	134	92%	0.915	78%	0.781	S	S	*	*			trans	35.6	144.2	139.3	-174.1	0	0	0	0	121.6
1213	A	22.9	Very low	26.2	Very low	84 Å²	84	136.1 Å²	136.1	69%	0.694	79%	0.788	S	S	*	*			trans	92.7	107.3	162.9	0	0	0	0	0	118.6
1214	E	22.5	Very low	26.3	Very low	194 Å²	194	135 Å²	135	91%	0.907	78%	0.784	S	S	*	*				23.6	129.8	128.6	-57.3	-178.8	161.2	0	0	120
1215	S	27.1	Very low	26.4	Very low	126 Å²	126	138.4 Å²	138.4	88%	0.881	79%	0.785	S	S	*	*			trans	-127.5	131.1	143.6	57	0	0	0	0	109.5
1216	S	26.4	Very low	26.4	Very low	108 Å²	108	134.3 Å²	134.3	76%	0.755	78%	0.777	S	S	*	*			trans	-103.8	149.1	177.7	52	0	0	0	0	110.4
1217	H	28.5	Very low	26.6	Very low	204 Å²	204	136.3 Å²	136.3	94%	0.944	78%	0.782	S	S	*	*			trans	-101.3	132.8	162.2	-89	-72.4	0	0	0	109.3
1218	A	26.8	Very low	26.9	Very low	82 Å²	82	142.4 Å²	142.4	68%	0.678	79%	0.791	S	S	*	*			trans	-129.3	-172.3	-177.8	0	0	0	0	0	110.7
1219	Y	30.7	Very low	27.3	Very low	229 Å²	229	137.4 Å²	137.4	90%	0.898	77%	0.774	S	S	*	*			trans	93.5	133.1	-174	-68.5	-83.7	0	0	0	116
1220	S	29	Very low	27.5	Very low	76 Å²	76	137.4 Å²	137.4	53%	0.531	76%	0.757	S	S	.	*			cis	-168.1	168.3	-31.3	49.9	0	0	0	0	109.8
1221	D	29.5	Very low	27.8	Very low	146 Å²	146	129.3 Å²	129.3	78%	0.781	73%	0.728	S	S	*	*			trans	67.7	157.7	157.5	-44.4	-48.2	0	0	0	119.7
1222	S	27.7	Very low	28.2	Very low	90 Å²	90	134.3 Å²	134.3	63%	0.629	73%	0.733	S	S	*	*				-161.6	178.1	-50	65.7	0	0	0	0	109.6
1223	D	30.4	Very low	28.5	Very low	151 Å²	151	133.8 Å²	133.8	81%	0.807	73%	0.725	S	S	*	*			trans	72.7	152.3	167.4	-50.1	3.1	0	0	0	118
1224	D	28.7	Very low	29.3	Very low	145 Å²	145	135.1 Å²	135.1	78%	0.775	73%	0.727	S	S	*	*			cis	-165.1	-179.3	-38.6	-166.2	10.5	0	0	0	109.5
1225	L	30.9	Very low	29.7	Very low	139 Å²	139	132.7 Å²	132.7	73%	0.728	72%	0.72	S	S	*	*			trans	86	78.7	159	-58.6	173.7	0	0	0	121.5
1226	S	27.1	Very low	30	Very low	93 Å²	93	135.1 Å²	135.1	65%	0.65	72%	0.718	S	S	*	*				29.7	143.6	120.3	69.3	0	0	0	0	124
1227	I	32.8	Very low	30.3	Very low	152 Å²	152	136.7 Å²	136.7	78%	0.779	72%	0.723	S	S	*	*				174.6	126.5	117.4	-89.8	157.2	0	0	0	114
1228	R	30.8	Very low	30.3	Very low	218 Å²	218	130 Å²	130	82%	0.823	71%	0.709	S	S	*	*			trans	26.3	153.9	142.4	-57.8	-173	172	159.7	-2.4	122.6
1229	N	32.2	Very low	30.5	Very low	109 Å²	109	132.7 Å²	132.7	58%	0.583	72%	0.717	S	S	*	*			cis	-167.3	144.5	-2.2	-112.8	17.8	0	0	0	113.4
1230	Q	28.9	Very low	30.4	Very low	95 Å²	95	126.7 Å²	126.7	44%	0.444	71%	0.709	S	S	.	*			trans	37.2	125.6	132.1	-67.8	179.2	-15.1	0	0	124.4	S896 Q897	S896-Q1230 PolarHBondContact O-NE2 3.34Å; Q897-Q1230 HydrophobicContact CB-CG 4.23Å; Q897-Q1230 PolarHBondContact O-N 3.03Å; Q897-Q1230 VanDerWaalsContact O-N 3.16Å
1231	S	26.6	Very low	30.4	Very low	53 Å²	53	129.9 Å²	129.9	37%	0.371	72%	0.724	S	S	.	*			trans	21.4	133.1	140.7	60.7	0	0	0	0	124.9
1232	E	31.4	Very low	30.1	Very low	176 Å²	176	131.7 Å²	131.7	82%	0.822	73%	0.725	S	S	*	*				-167.4	169.1	114.8	-106.9	175	-165.2	0	0	110.8
1233	D	27.7	Very low	30.8	Very low	139 Å²	139	131.7 Å²	131.7	74%	0.743	72%	0.723	S	S	*	*			trans	-131.6	145.1	176.3	-81.6	-49.3	0	0	0	108.5
1234	P	39.9	Very low	30.5	Very low	113 Å²	113	131.1 Å²	131.1	73%	0.734	72%	0.72	S	S	*	*				-160.1	155.9	93.3	40.8	-20.8	0	0	0	119.6
1235	N	31.3	Very low	30.5	Very low	143 Å²	143	130.2 Å²	130.2	77%	0.765	72%	0.72	S	S	*	*			trans	70	138.9	139.1	-85.5	-36.8	0	0	0	124.7
1236	Q	32.6	Very low	30.3	Very low	177 Å²	177	129 Å²	129	83%	0.827	72%	0.718	S	S	*	*			trans	65.7	123.5	155.9	-64.9	174.1	19.8	0	0	116.8
1237	T	32.7	Very low	30.1	Very low	140 Å²	140	129.9 Å²	129.9	86%	0.859	72%	0.723	S	S	*	*			cis	-147.1	154	22.5	50.7	0	0	0	0	111.6
1238	G	29.7	Very low	29.8	Very low	65 Å²	65	128.5 Å²	128.5	67%	0.67	72%	0.722	S	S	*	*			cis	169.5	173.8	-2.6	0	0	0	0	0	112
1239	V	30.5	Very low	29.6	Very low	138 Å²	138	124.1 Å²	124.1	84%	0.836	72%	0.72	S	S	*	*			trans	64.6	90.2	171.5	-169.3	0	0	0	0	114.7
1240	S	28.1	Very low	29.4	Very low	103 Å²	103	124 Å²	124	72%	0.72	73%	0.727	S	S	*	*				74.1	138.7	66.4	85.9	0	0	0	0	114.4
1241	V	29.8	Very low	29.3	Very low	143 Å²	143	126 Å²	126	87%	0.867	75%	0.746	S	S	*	*			cis	-156.6	161.2	2.5	97.1	0	0	0	0	112.3
1242	K	23.2	Very low	29.3	Very low	183 Å²	183	130.9 Å²	130.9	80%	0.796	77%	0.766	S	S	*	*			trans	-106.1	178.6	176.6	-109.2	-162.7	172.4	-161.9	0	109.4
1243	P	40.7	Very low	28.9	Very low	91 Å²	91	130.8 Å²	130.8	59%	0.591	77%	0.766	S	S	*	*			cis	-146.8	-164	-28.1	41.1	-20.5	0	0	0	114.4
1244	D	25.3	Very low	28.9	Very low	139 Å²	139	129.5 Å²	129.5	74%	0.743	77%	0.767	S	S	*	*			trans	60.9	138.7	138	-60.3	-26.7	0	0	0	125.6
1245	V	27.4	Very low	28.3	Very low	126 Å²	126	129.8 Å²	129.8	76%	0.764	77%	0.767	S	S	*	*				113.5	121.7	126.4	137.9	0	0	0	0	122.1
1246	T	26.9	Very low	28.3	Very low	112 Å²	112	131.7 Å²	131.7	69%	0.687	77%	0.77	S	S	*	*			trans	63.1	105.5	157.4	54.1	0	0	0	0	124.1
1247	C	24.2	Very low	28.1	Very low	112 Å²	112	128.2 Å²	128.2	76%	0.757	77%	0.766	S	S	*	*				69.7	151.5	111.8	-59.9	0	0	0	0	124.6
1248	T	26.1	Very low	28.1	Very low	124 Å²	124	128.1 Å²	128.1	76%	0.761	77%	0.765	S	S	*	*			trans	88.7	109.5	160.4	60.1	0	0	0	0	121.6
1249	T	26.9	Very low	27.9	Very low	126 Å²	126	128.9 Å²	128.9	77%	0.773	77%	0.773	S	S	*	*			trans	71.7	130.7	137.5	49.1	0	0	0	0	123.7
1250	S	26.7	Very low	27.8	Very low	106 Å²	106	127 Å²	127	74%	0.741	77%	0.772	S	S	*	*			trans	62.4	99.1	146.5	58.2	0	0	0	0	120.8
1251	V	26.8	Very low	28.1	Very low	137 Å²	137	128.4 Å²	128.4	83%	0.83	78%	0.779	S	S	*	*				10.6	116.6	129.7	-159.3	0	0	0	0	117.4
1252	I	26.9	Very low	28	Very low	156 Å²	156	125.2 Å²	125.2	80%	0.8	78%	0.775	S	S	*	*				-172.3	160.2	115.4	-95.5	168.8	0	0	0	109.7
1253	E	23.9	Very low	28.3	Very low	174 Å²	174	122.5 Å²	122.5	81%	0.813	78%	0.777	S	S	*	*			trans	-60.9	140.7	-172.7	-53.3	157.3	113.7	0	0	115.7
1254	S	27.5	Very low	27.6	Very low	111 Å²	111	123.9 Å²	123.9	78%	0.776	79%	0.788	S	S	*	*			trans	158.5	119.6	139.5	44.4	0	0	0	0	110.1
1255	V	27.6	Very low	27.8	Very low	119 Å²	119	123.2 Å²	123.2	72%	0.721	79%	0.794	S	S	*	*			cis	58.7	111.2	36.4	-167.1	0	0	0	0	110.9
1256	H	30.2	Very low	27.8	Very low	183 Å²	183	121.8 Å²	121.8	85%	0.847	79%	0.789	S	S	*	*			cis	-161.9	167.5	5.4	-105.8	-30.2	0	0	0	107.6
1257	S	29.8	Very low	27.8	Very low	105 Å²	105	123.2 Å²	123.2	73%	0.734	79%	0.793	S	S	*	*			trans	176.1	139.1	144.4	176	0	0	0	0	112.9
1258	T	31.2	Very low	28.1	Very low	138 Å²	138	122.5 Å²	122.5	85%	0.847	79%	0.789	S	S	*	*			cis	-159.1	157.8	-23.9	28.5	0	0	0	0	110
1259	G	27	Very low	28	Very low	80 Å²	80	124 Å²	124	83%	0.825	79%	0.793	S	S	*	*	S	Bend	trans	162.7	104.6	162.6	0	0	0	0	0	111
1260	A	28.5	Very low	28.1	Very low	99 Å²	99	125.8 Å²	125.8	82%	0.818	80%	0.798	S	S	*	*			cis	-140	168.9	2.5	0	0	0	0	0	110.9
1261	P	33.4	Very low	28.2	Very low	133 Å²	133	124.2 Å²	124.2	86%	0.864	79%	0.791	S	S	*	*			trans	-104.5	165.4	-156	39.1	-36.2	0	0	0	116.9
1262	G	28.1	Very low	28.3	Very low	76 Å²	76	125 Å²	125	78%	0.784	79%	0.79	S	S	*	*			trans	-154.6	85.8	173.9	0	0	0	0	0	115.5
1263	C	28.5	Very low	28.4	Very low	125 Å²	125	124.2 Å²	124.2	85%	0.845	79%	0.786	S	S	*	*			trans	35.3	93.6	154.8	-60.4	0	0	0	0	122.2
1264	C	27.2	Very low	28.6	Very low	120 Å²	120	122.6 Å²	122.6	81%	0.811	78%	0.783	S	S	*	*				39.7	131.8	120.6	-56.8	0	0	0	0	124
1265	S	29.5	Very low	28.5	Very low	126 Å²	126	125.8 Å²	125.8	88%	0.881	79%	0.786	S	S	*	*			trans	90.2	154.6	132.1	73.1	0	0	0	0	121.1
1266	S	25.9	Very low	29	Very low	95 Å²	95	125 Å²	125	66%	0.664	78%	0.783	S	S	*	*			trans	-125.2	149.3	-165.1	59	0	0	0	0	112.9
1267	N	27.3	Very low	28.9	Very low	143 Å²	143	125.9 Å²	125.9	77%	0.765	79%	0.787	S	S	*	*				166.1	157.5	124.7	-84.6	-4.6	0	0	0	113.5
1268	S	30	Very low	28.6	Very low	97 Å²	97	125.9 Å²	125.9	68%	0.678	79%	0.788	S	S	*	*			trans	55.1	112.6	153.4	57.9	0	0	0	0	120.2
1269	D	25.6	Very low	28.5	Very low	155 Å²	155	126.8 Å²	126.8	83%	0.829	79%	0.786	S	S	*	*				35.3	116.9	118.8	-42.2	-38	0	0	0	118.9
1270	D	28.2	Very low	28.6	Very low	164 Å²	164	129.4 Å²	129.4	88%	0.877	78%	0.78	S	S	*	*				-168.3	173.5	95.8	-141.5	-30	0	0	0	112.5
1271	A	29.7	Very low	28.5	Very low	72 Å²	72	132 Å²	132	60%	0.595	78%	0.78	S	S	*	*			trans	78.8	99.1	151.3	0	0	0	0	0	123.1
1272	L	29.1	Very low	28.3	Very low	154 Å²	154	132.8 Å²	132.8	81%	0.806	78%	0.777	S	S	*	*				83.8	121.8	127.9	-57.1	168.8	0	0	0	122.2
1273	L	29.1	Very low	28.8	Very low	140 Å²	140	134 Å²	134	73%	0.733	77%	0.771	S	S	*	*			trans	49.9	128.1	141.1	-78.9	73.3	0	0	0	119.1
1274	N	27.7	Very low	28.8	Very low	139 Å²	139	133.8 Å²	133.8	74%	0.743	77%	0.771	S	S	*	*			cis	-161.4	159.8	28.1	-97.3	-30	0	0	0	112.8
1275	Q	25	Very low	28.8	Very low	178 Å²	178	135.7 Å²	135.7	83%	0.832	77%	0.773	S	S	*	*			trans	-124.8	179	145.9	-66.2	-168.4	-17.3	0	0	108.1
1276	P	37	Very low	28.8	Very low	104 Å²	104	135.7 Å²	135.7	68%	0.675	77%	0.772	S	S	*	*				-126.6	173.5	-71	38.3	-24	0	0	0	111.1
1277	H	28.6	Very low	28.9	Very low	200 Å²	200	139.1 Å²	139.1	93%	0.926	78%	0.777	S	S	*	*			trans	-144.9	133.9	159.4	-95.6	-72	0	0	0	111.7
1278	S	24.8	Very low	29.3	Very low	106 Å²	106	138.5 Å²	138.5	74%	0.741	78%	0.781	S	S	*	*			trans	-94.9	130.7	177.8	52.8	0	0	0	0	111.6
1279	L	28.9	Very low	29.3	Very low	156 Å²	156	140 Å²	140	82%	0.817	78%	0.782	S	S	*	*			trans	-145.1	122.5	155.9	-78.1	-179.1	0	0	0	110
1280	I	28.1	Very low	29.5	Very low	136 Å²	136	140.5 Å²	140.5	70%	0.697	78%	0.782	S	S	*	*				38.5	102.4	127.2	-52.8	176.3	0	0	0	116.1
1281	D	27.1	Very low	29.4	Very low	154 Å²	154	137.8 Å²	137.8	82%	0.824	77%	0.772	S	S	*	*				-177.5	158.2	98.7	-106.7	-34.3	0	0	0	112.8
1282	N	28	Very low	29.3	Very low	148 Å²	148	141.9 Å²	141.9	79%	0.791	78%	0.783	S	S	*	*			trans	-169.6	154.4	175.1	-146.1	32.5	0	0	0	109.6
1283	P	39.3	Very low	29.1	Very low	101 Å²	101	140 Å²	140	66%	0.656	78%	0.782	S	S	*	*			cis	-127.2	169.4	-33.2	35.9	-21.3	0	0	0	113.1
1284	S	28.7	Very low	29	Very low	122 Å²	122	139.5 Å²	139.5	85%	0.853	78%	0.784	S	S	*	*			trans	-158.5	155.2	150.7	-39.3	0	0	0	0	113.1
1285	N	26.8	Very low	29	Very low	160 Å²	160	139.7 Å²	139.7	86%	0.856	79%	0.79	S	S	*	*			trans	-66	156.9	-177.8	-53.1	-21.5	0	0	0	114.9
1286	C	29.5	Very low	29.3	Very low	125 Å²	125	137.1 Å²	137.1	85%	0.845	79%	0.786	S	S	*	*			trans	-143.4	146.9	144.1	-87.6	0	0	0	0	108.6
1287	E	27.5	Very low	29	Very low	168 Å²	168	137 Å²	137	79%	0.785	79%	0.787	S	S	*	*			trans	-83.7	179.9	-172.5	-53	106.4	138.9	0	0	114.7
1288	P	37.4	Very low	29	Very low	129 Å²	129	135 Å²	135	84%	0.838	78%	0.783	S	S	*	*				-112.5	119.1	129.8	33.4	-30.2	0	0	0	111.6
1289	D	29.1	Very low	29.7	Very low	130 Å²	130	135.9 Å²	135.9	70%	0.695	79%	0.786	S	S	*	*			trans	-77.9	122.7	178.1	-160.2	-8	0	0	0	111.4	T1291	D1289-T1291 PolarHBondContact OD1-OG1 3.18Å
1290	I	29.7	Very low	29.8	Very low	165 Å²	165	131.6 Å²	131.6	85%	0.846	78%	0.78	S	S	*	*			trans	-136.7	99.4	155.1	-60.7	-174.5	0	0	0	108.4
1291	T	26.9	Very low	30.1	Very low	106 Å²	106	132.5 Å²	132.5	65%	0.65	79%	0.786	S	S	*	*			trans	-83.9	128	173.9	-16.2	0	0	0	0	111.4	D1289	D1289-T1291 PolarHBondContact OD1-OG1 3.18Å
1292	L	27.3	Very low	30.4	Very low	158 Å²	158	132.8 Å²	132.8	83%	0.827	78%	0.784	S	S	*	*			trans	-162.5	105.6	150.1	-120.6	162.7	0	0	0	112.5
1293	C	24.1	Very low	30.7	Very low	116 Å²	116	131.9 Å²	131.9	78%	0.784	78%	0.78	S	S	*	*			trans	-89	136.9	173.2	-59.7	0	0	0	0	111.2
1294	T	28.3	Very low	30.4	Very low	128 Å²	128	134 Å²	134	79%	0.785	79%	0.786	S	S	*	*			trans	-147.2	115.7	154.1	2.6	0	0	0	0	110.7
1295	V	27.6	Very low	30.5	Very low	144 Å²	144	132.9 Å²	132.9	87%	0.873	78%	0.778	S	S	*	*			trans	-129.5	137.6	168.9	176.1	0	0	0	0	107.2
1296	V	29.8	Very low	31.3	Very low	123 Å²	123	130.7 Å²	130.7	75%	0.745	77%	0.772	S	S	*	*			trans	-125.3	103.6	-176.2	178.8	0	0	0	0	111.1
1297	C	31.9	Very low	31.3	Very low	101 Å²	101	133.9 Å²	133.9	68%	0.682	77%	0.774	S	S	*	*			trans	45.1	122	142.9	-53.6	0	0	0	0	121
1298	N	28	Very low	31.5	Very low	158 Å²	158	131.2 Å²	131.2	85%	0.845	78%	0.775	S	S	*	*				-158	159.9	93	-99.1	-16.6	0	0	0	112.8
1299	P	40.8	Very low	31.1	Very low	126 Å²	126	133.8 Å²	133.8	82%	0.818	78%	0.775	S	S	*	*			trans	-139.4	178.5	-140.5	42.2	-23.8	0	0	0	118.2
1300	G	30.1	Very low	31.8	Very low	66 Å²	66	132.1 Å²	132.1	68%	0.68	77%	0.772	S	S	*	*			trans	124.2	129.2	168.5	0	0	0	0	0	111.7
1301	N	34.4	Very low	31.9	Very low	154 Å²	154	130.9 Å²	130.9	82%	0.824	77%	0.767	S	S	*	*			cis	-134.3	149.3	8.2	-77.5	-21.3	0	0	0	108.8
1302	M	33.7	Very low	32.3	Very low	160 Å²	160	131 Å²	131	79%	0.788	77%	0.767	S	S	*	*				52.6	122.2	76.8	-52.5	-60.8	-106	0	0	112.3
1303	D	33.7	Very low	32.4	Very low	130 Å²	130	133.9 Å²	133.9	70%	0.695	77%	0.767	S	S	*	*			cis	-145.5	162.1	16	-74	-54.2	0	0	0	114.2
1304	D	33.4	Very low	32.9	Very low	146 Å²	146	134 Å²	134	78%	0.781	77%	0.77	S	S	*	*			trans	31	153	145.2	-77.8	-35	0	0	0	124.2
1305	S	31.6	Very low	33.1	Very low	98 Å²	98	135.1 Å²	135.1	69%	0.685	77%	0.771	S	S	*	*			cis	-171.6	164.6	-22.5	-107.5	0	0	0	0	109.4
1306	P	42.1	Very low	33.4	Very low	114 Å²	114	131.9 Å²	131.9	74%	0.74	77%	0.766	S	S	*	*			trans	-119.6	-162	-151	42.1	-31.1	0	0	0	117.9
1307	E	29.9	Very low	33.6	Very low	191 Å²	191	135.9 Å²	135.9	89%	0.893	78%	0.776	S	S	*	*			trans	83.6	142.8	175.9	-53	-170	156.8	0	0	116.6
1308	S	32.8	Very low	33.6	Very low	113 Å²	113	134.6 Å²	134.6	79%	0.79	78%	0.781	S	S	*	*			cis	-150.6	156.6	6.2	59.3	0	0	0	0	113.8
1309	Q	28.1	Very low	33.8	Very low	182 Å²	182	136.7 Å²	136.7	85%	0.85	79%	0.786	S	S	*	*			trans	-101.5	178.8	168.9	-98.4	-168.5	-1.3	0	0	111.9
1310	P	43.9	Very low	33.2	Very low	96 Å²	96	140.3 Å²	140.3	62%	0.623	79%	0.791	S	S	*	*			cis	-131.5	-174.5	-32.7	36	-17.5	0	0	0	112.5
1311	D	31.8	Very low	33.2	Very low	139 Å²	139	140.4 Å²	140.4	74%	0.743	79%	0.792	S	S	*	*				159.2	144.2	102	-128.7	-19.4	0	0	0	118.8
1312	T	34.8	Very low	33	Very low	107 Å²	107	141 Å²	141	66%	0.656	80%	0.795	S	S	*	*			trans	65.5	118.6	157.6	58.3	0	0	0	0	126.2
1313	R	29.6	Very low	32.7	Very low	220 Å²	220	141.1 Å²	141.1	83%	0.83	80%	0.799	S	S	*	*				69.7	123.8	128.3	-73	-177.2	166.8	154.3	-1.3	124.5
1314	S	35.1	Very low	32.6	Very low	119 Å²	119	142.7 Å²	142.7	83%	0.832	81%	0.807	S	S	*	*				-156.6	142.8	117.7	61.8	0	0	0	0	111.3
1315	D	32.4	Very low	32.2	Very low	151 Å²	151	142.1 Å²	142.1	81%	0.807	80%	0.804	S	S	*	*			trans	-89.8	167.6	-166.6	-42.4	-93.3	0	0	0	115.1
1316	G	34.5	Very low	32.3	Very low	75 Å²	75	144.1 Å²	144.1	77%	0.773	81%	0.812	S	S	*	*			trans	-166.7	122.7	171.2	0	0	0	0	0	112.2
1317	E	32.2	Very low	31.7	Very low	207 Å²	207	143.7 Å²	143.7	97%	0.967	81%	0.807	S	S	*	*			trans	-88.3	156.6	-171.4	-59.3	170.4	137.1	0	0	112.9
1318	G	31.9	Very low	31.7	Very low	75 Å²	75	143.2 Å²	143.2	77%	0.773	81%	0.809	S	S	*	*			trans	-169.6	28.1	-172	0	0	0	0	0	120.7
1319	E	33.2	Very low	31.6	Very low	202 Å²	202	148.4 Å²	148.4	94%	0.944	81%	0.812	S	S	*	*			trans	60.9	174	163.4	-62.9	-173.5	152.4	0	0	119.7
1320	E	28.4	Very low	31.6	Very low	201 Å²	201	147.3 Å²	147.3	94%	0.939	81%	0.811	S	S	*	*			trans	-100.8	160.1	-161.3	-57.6	166.4	130.8	0	0	113.2
1321	G	29.7	Very low	31.1	Very low	68 Å²	68	148.4 Å²	148.4	70%	0.701	82%	0.819	S	S	*	*			trans	165.1	84.2	169.1	0	0	0	0	0	117.4
1322	D	30	Very low	31	Very low	166 Å²	166	146.1 Å²	146.1	89%	0.888	82%	0.819	S	S	*	*			trans	35.3	142.6	146.8	-51.9	-20	0	0	0	123.4
1323	D	27.5	Very low	30.6	Very low	163 Å²	163	147.7 Å²	147.7	87%	0.872	83%	0.828	S	S	*	*			trans	-62.6	151.4	169.4	-62.4	-75.7	0	0	0	113.6
1324	L	31.1	Very low	30.6	Very low	164 Å²	164	140.7 Å²	140.7	86%	0.859	83%	0.825	S	S	*	*			trans	-159.5	140.3	166.3	-116.7	171.2	0	0	0	113.4
1325	D	26.1	Very low	30.2	Very low	133 Å²	133	142.5 Å²	142.5	71%	0.711	82%	0.82	S	S	*	*			trans	-61.8	142.8	-179.2	-72.3	-87.8	0	0	0	115.4
1326	V	32.7	Very low	30.1	Very low	140 Å²	140	142 Å²	142	85%	0.848	82%	0.822	S	S	*	*			trans	-103.4	93.4	169	-178	0	0	0	0	110.3	L1328	V1326-L1328 PolarHBondContact O-N 3.4Å
1327	V	31.1	Very low	29.9	Very low	106 Å²	106	144.1 Å²	144.1	64%	0.642	82%	0.816	S	S	*	*			trans	-53.3	128.4	168.7	175.2	0	0	0	0	110.6	R1329	V1327-R1329 PolarHBondContact O-N 3.36Å
1328	L	29.4	Very low	29.9	Very low	180 Å²	180	142 Å²	142	94%	0.942	81%	0.811	S	S	*	*			trans	-64.9	94.4	175.3	-79	171.7	0	0	0	111.8	V1326	V1326-L1328 PolarHBondContact O-N 3.4Å
1329	R	30.2	Very low	29.9	Very low	223 Å²	223	151.6 Å²	151.6	84%	0.842	84%	0.836	S	S	*	*	P	Polyproline II helix	trans	-102.6	130.8	163	-76.2	-171.9	171.1	-171.3	-0.8	110.7	V1327 P1331	V1327-R1329 PolarHBondContact O-N 3.36Å; R1329-P1331 WeakPolarHBondContact O-CD 3.38Å
1330	N	28.6	Very low	29.8	Very low	158 Å²	158	149.1 Å²	149.1	85%	0.845	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-48.9	129.3	169.9	-89.3	-34	0	0	0	112.8
1331	P	33.1	Very low	29.8	Very low	120 Å²	120	146.4 Å²	146.4	78%	0.779	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-86.9	135.2	139.7	33.4	-27.2	0	0	0	109.5	R1329	R1329-P1331 WeakPolarHBondContact O-CD 3.38Å
1332	A	30	Very low	29.8	Very low	91 Å²	91	150.7 Å²	150.7	75%	0.752	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-83.9	153.4	-179.5	0	0	0	0	0	112.6	G1334	A1332-G1334 PolarHBondContact O-N 2.89Å
1333	V	26.3	Very low	29.8	Very low	139 Å²	139	149.8 Å²	149.8	84%	0.842	83%	0.828	S	S	*	*			trans	18.9	93.1	149.6	-171.9	0	0	0	0	115.5
1334	G	28.6	Very low	30	Very low	74 Å²	74	149 Å²	149	76%	0.763	83%	0.826	S	S	*	*			trans	-100.5	107.9	159.5	0	0	0	0	0	110.1	A1332	A1332-G1334 PolarHBondContact O-N 2.89Å
1335	Q	26.8	Very low	29.9	Very low	157 Å²	157	148 Å²	148	73%	0.734	82%	0.823	S	S	*	*			trans	-73.6	135.3	157.3	-74.6	179.3	-108.4	0	0	108.5
1336	V	30.7	Very low	30.2	Very low	140 Å²	140	149.1 Å²	149.1	85%	0.848	83%	0.831	S	S	*	*			trans	-135.1	115.5	156.7	-177.6	0	0	0	0	106.1
1337	D	30.7	Very low	30	Very low	120 Å²	120	149.8 Å²	149.8	64%	0.642	83%	0.83	S	S	*	*			trans	-90.3	152.6	171.9	-54	-67.3	0	0	0	109.3
1338	D	31.7	Very low	29.9	Very low	161 Å²	161	153.4 Å²	153.4	86%	0.861	85%	0.846	S	S	*	*			trans	44.7	92.3	160.2	-57.7	-20	0	0	0	120.4
1339	E	32.9	Very low	29.9	Very low	278 Å²	278	151 Å²	151	100%	1.299	84%	0.837	S	S	*	*				-163.4	0	111.9	-108.4	-173.7	173.3	0	0	112.6

Retrieved 1,339 of 1,339 residues in 1624 ms (Link to these results)

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