G4LYI6_SCHMA Loading...

Kelch-like protein

AlphaFold DB , UniProt , Accession G4LYI6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 813 aa.

						>G4LYI6_SCHMA|G4LYI6
MSGTSAGVKSKSYLPNSLNFQDREIYKIGFTALDCMRRDGKLCDVTLIADNNRFTAHKIVLAATIPFFNGMFLSNMAESTKSEVTIHGLDACALEAFIGYAYTGLVQINPRNVQSILIGANFLQLNNVRNICCRYISERLTVDIVLPMRNLAQSFLCAELVSACETYIYKNFEDIARTVSFFNLEGCELMELLESDELNVSSEERLFDIIMSWVEFETKPNPDTETNSVISESVNVIELPENYDGNVHSIKPSVSSEIGYQNSCCNGSLHSTHHPHSSHCSTQIFSSKPRTDFLPCLLRRIRLPLIPVNYIFSVISRHDLIRKDIRCRDILDEVRDVLLMSWKTSEFFNCRPRRCQDIFGVIYAVGGWNADLECHGIVEIYHPSLGRWELSESMISKRSRIGVVALNGLLYAIGGFDGNSRLRTTEVYNPKTGKWATVASMICRRSAAGAAAYDGCLYVCGGFDGQTSLRTCEMYIPEQDTWKLISSLNEPRSAGGLVALNGRLYAIGGHNGLAVFSTVECYEKGGDLPRTLPSSRFETGHQNNGIRQNPTNVWYSVASMLHRRCRHGSTAFRDRIIVAGGYDGASFLQSVEMFDPTTGPDRNGLHGQWTEISSLSVPRSRVGLAVTAGCLYAIGGYDGSAHLRTVECFKSPIKQNPYALSSNVLQSKCNTLSNLLNKPNISDNYNNHVDGDDDDNNDDGISCNHQPCSMNSDFESISSCNSSEAVTFVGTTQNRKTMTLENSKPKLISHKPSIPSASVKVNCNGGTSTLSSVIPSSSNPFADWKWSSGPSLIAHEGWVGICVLPFGQSSSVH
					

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(Predicted Aligned Error values between residue pairs)

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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	38.6	Very low	41.6	Very low	235 Å²	235	141.7 Å²	141.7	100%	1.158	88%	0.88	S	S	*	*				0	154.9	0	-79.9	-176.3	170.5	0	0	108.2
2	S	37.4	Very low	42.5	Very low	133 Å²	133	138.3 Å²	138.3	93%	0.93	87%	0.865	S	S	*	*			trans	55.9	133.8	-162.6	66.3	0	0	0	0	115.1
3	G	38.5	Very low	43.5	Very low	76 Å²	76	145.5 Å²	145.5	78%	0.784	87%	0.868	S	S	*	*			cis	145.6	88.3	-3.3	0	0	0	0	0	110.7
4	T	36.6	Very low	44.8	Very low	148 Å²	148	146.1 Å²	146.1	91%	0.908	86%	0.864	S	S	*	*			trans	-67.5	135.2	-178.3	46.5	0	0	0	0	112.9
5	S	43.2	Very low	45.8	Very low	119 Å²	119	143.3 Å²	143.3	83%	0.832	85%	0.852	S	S	*	*			trans	-128.2	125.3	151.2	66.4	0	0	0	0	109.8
6	A	39.6	Very low	47.3	Very low	111 Å²	111	145.6 Å²	145.6	92%	0.917	86%	0.859	S	S	*	*			trans	-85.7	133.8	179.7	0	0	0	0	0	110.4
7	G	44.3	Very low	49	Very low	71 Å²	71	142 Å²	142	73%	0.732	84%	0.843	S	S	*	*			trans	-136	99.7	-177.9	0	0	0	0	0	113
8	V	47	Very low	50.8	Low	141 Å²	141	143.2 Å²	143.2	86%	0.855	84%	0.843	S	S	*	*			trans	54.5	105.8	151.2	-167.3	0	0	0	0	119.2
9	K	40.4	Very low	52.4	Low	210 Å²	210	143.7 Å²	143.7	91%	0.913	84%	0.842	S	S	*	*			trans	-12.5	118.1	152.3	-61.5	169.1	179.3	173.3	0	116.9
10	S	46.2	Very low	54.2	Low	105 Å²	105	145.2 Å²	145.2	73%	0.734	84%	0.838	S	S	*	*			trans	-120.1	131.2	141.9	64.2	0	0	0	0	108.9	S12	S10-S12 VanDerWaalsContact C-N 3.34Å; S10-S12 PolarHBondContact O-N 3.49Å; S10-S12 VanDerWaalsContact O-N 3.07Å
11	K	45.3	Very low	55.7	Low	210 Å²	210	144.4 Å²	144.4	91%	0.913	83%	0.827	S	S	*	*			trans	-76.5	88.7	170.5	-80	-177.4	173.4	-178.3	0	107.8
12	S	52.4	Low	58.2	Low	101 Å²	101	136.2 Å²	136.2	71%	0.706	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-68	136.2	163.7	45.3	0	0	0	0	109.3	S10 L14	S10-S12 VanDerWaalsContact C-N 3.34Å; S10-S12 PolarHBondContact O-N 3.49Å; S10-S12 VanDerWaalsContact O-N 3.07Å; S12-L14 PolarHBondContact O-N 3.03Å
13	Y	55.3	Low	60.6	Low	231 Å²	231	139.1 Å²	139.1	91%	0.906	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-64.1	118.3	177.2	-73.2	-105.4	0	0	0	108.8
14	L	62.2	Low	63	Low	155 Å²	155	139.9 Å²	139.9	81%	0.812	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-62.9	129	164.5	-80	163.4	0	0	0	107.7	S12 N16	S12-L14 PolarHBondContact O-N 3.03Å; L14-N16 PolarHBondContact O-N 3.33Å
15	P	60.1	Low	65.6	Low	104 Å²	104	137.3 Å²	137.3	68%	0.675	74%	0.741	S	S	*	*	P	Polyproline II helix	trans	-62.6	136.6	175.4	25.5	-32.7	0	0	0	109.9	S17	P15-S17 PolarHBondContact O-N 3.11Å
16	N	69.3	Low	67.7	Low	180 Å²	180	138.8 Å²	138.8	96%	0.963	73%	0.729	S	S	*	*	S	Bend	trans	-66.6	-2.5	-178.1	-79.3	-8	0	0	0	114.2	L14	L14-N16 PolarHBondContact O-N 3.33Å
17	S	75.9	Confident	70	Confident	84 Å²	84	139.7 Å²	139.7	59%	0.587	71%	0.713	S	S	*	*			trans	-139.4	140.9	174.1	54.4	0	0	0	0	111.4	P15	P15-S17 PolarHBondContact O-N 3.11Å
18	L	81.1	Confident	72.2	Confident	163 Å²	163	141.7 Å²	141.7	85%	0.853	71%	0.705	S	S	*	*			trans	-108.3	114.2	169.2	176.3	69.6	0	0	0	108	F20	L18-F20 PolarHBondContact O-N 2.75Å
19	N	82	Confident	74.3	Confident	154 Å²	154	136.5 Å²	136.5	82%	0.824	68%	0.68	S	S	*	*			trans	-82.6	98.3	171.8	-69.8	-16.4	0	0	0	109.1
20	F	87.9	Confident	76.9	Confident	173 Å²	173	130 Å²	130	76%	0.759	65%	0.652	S	S	*	*			trans	-85.4	130.7	168.2	176	-105	0	0	0	110	L18 D22	L18-F20 PolarHBondContact O-N 2.75Å; F20-D22 HydrophobicContact CE1-CB 3.84Å; F20-D22 HydrophobicContact CZ-CB 4.06Å
21	Q	87.4	Confident	79	Confident	128 Å²	128	128.9 Å²	128.9	60%	0.598	64%	0.641	S	S	*	*			trans	-126.5	104.6	174.4	-174.7	-176.3	20.1	0	0	108.8	R23	Q21-R23 PolarHBondContact O-N 2.69Å
22	D	89.4	Confident	81.3	Confident	63 Å²	63	120.9 Å²	120.9	34%	0.337	61%	0.614	S	S	.	*			trans	-68.7	124.4	165.1	-171.1	-16.5	0	0	0	108.7	F20 E24 I25	F20-D22 HydrophobicContact CE1-CB 3.84Å; F20-D22 HydrophobicContact CZ-CB 4.06Å; D22-E24 PolarHBondContact OD1-N 3.12Å; D22-I25 HydrophobicContact CB-CB 4.04Å; D22-I25 HydrophobicContact CB-CG2 4.09Å; D22-I25 WeakPolarHBondContact O-CG2 3.36Å; D22-I25 PolarHBondContact OD1-N 3.17Å; D22-I25 VanDerWaalsContact OD1-N 3.16Å
23	R	88.2	Confident	83.4	Confident	195 Å²	195	118.5 Å²	118.5	74%	0.736	59%	0.594	S	S	*	*	S	Bend	trans	-91.5	-23	178.1	-65.8	-175	176.7	-170.6	-1.5	112.6	Q21	Q21-R23 PolarHBondContact O-N 2.69Å
24	E	89.1	Confident	85.2	Confident	92 Å²	92	107.9 Å²	107.9	43%	0.43	55%	0.552	S	S	.	*	S	Bend	trans	-87.9	-18.2	-179.2	-61.3	-61.9	116.5	0	0	112.1	D22 Y26 K27 I28	D22-E24 PolarHBondContact OD1-N 3.12Å; E24-Y26 PolarHBondContact O-N 2.94Å; E24-Y26 VanDerWaalsContact O-N 3.15Å; E24-K27 WeakPolarHBondContact O-CB 3.3Å; E24-K27 PolarHBondContact O-N 2.91Å; E24-K27 VanDerWaalsContact OE2-CD 3.24Å; E24-K27 WeakPolarHBondContact OE2-CD 3.35Å; E24-K27 IonicContact OE2-NZ 3.05Å; E24-K27 PolarHBondContact OE2-NZ 3.26Å; E24-I28 HydrophobicContact CB-CD1 4.21Å; E24-I28 WeakPolarHBondContact O-CG1 3.45Å; E24-I28 PolarHBondContact O-N 3.14Å
25	I	91.7	Very high	86.8	Confident	94 Å²	94	103.8 Å²	103.8	48%	0.482	54%	0.536	S	S	.	.	H	α-helix	trans	-51	-41.2	-179.8	-166.5	171.2	0	0	0	113.3	D22 G29	D22-I25 HydrophobicContact CB-CB 4.04Å; D22-I25 HydrophobicContact CB-CG2 4.09Å; D22-I25 WeakPolarHBondContact O-CG2 3.36Å; D22-I25 PolarHBondContact OD1-N 3.17Å; D22-I25 VanDerWaalsContact OD1-N 3.16Å; I25-G29 PolarHBondContact O-N 3.12Å
26	Y	87.5	Confident	88.4	Confident	149 Å²	149	101.9 Å²	101.9	58%	0.584	52%	0.519	S	S	*	.	H	α-helix	trans	-66.5	-46.6	178.1	-55.2	-69.4	0	0	0	111.2	E24 I28 G29 F30	E24-Y26 PolarHBondContact O-N 2.94Å; E24-Y26 VanDerWaalsContact O-N 3.15Å; Y26-I28 PolarHBondContact O-N 3.08Å; Y26-G29 PolarHBondContact O-N 3.49Å; Y26-F30 WeakPolarHBondContact O-CB 3.43Å; Y26-F30 WeakPolarHBondContact O-CD2 3.36Å; Y26-F30 PolarHBondContact O-N 2.88Å
27	K	86.8	Confident	89.7	Confident	130 Å²	130	94.9 Å²	94.9	57%	0.565	48%	0.479	S	S	*	.	H	α-helix	trans	-62.3	-43.1	179.1	-178.1	-173.3	173.9	-170.9	0	111.9	E24 T31	E24-K27 WeakPolarHBondContact O-CB 3.3Å; E24-K27 PolarHBondContact O-N 2.91Å; E24-K27 VanDerWaalsContact OE2-CD 3.24Å; E24-K27 WeakPolarHBondContact OE2-CD 3.35Å; E24-K27 IonicContact OE2-NZ 3.05Å; E24-K27 PolarHBondContact OE2-NZ 3.26Å; K27-T31 WeakPolarHBondContact O-CB 3.48Å; K27-T31 PolarHBondContact O-N 2.81Å; K27-T31 PolarHBondContact O-OG1 2.96Å
28	I	90.2	Very high	90.5	Very high	113 Å²	113	99.3 Å²	99.3	58%	0.579	48%	0.483	S	S	*	.	H	α-helix	trans	-65.4	-47.2	175.4	-63.1	169.6	0	0	0	110.4	E24 Y26 T31 A32	E24-I28 HydrophobicContact CB-CD1 4.21Å; E24-I28 WeakPolarHBondContact O-CG1 3.45Å; E24-I28 PolarHBondContact O-N 3.14Å; Y26-I28 PolarHBondContact O-N 3.08Å; I28-T31 PolarHBondContact O-N 2.82Å; I28-A32 PolarHBondContact O-N 2.81Å
29	G	92.8	Very high	91	Very high	32 Å²	32	96.4 Å²	96.4	33%	0.33	47%	0.468	S	S	.	.	H	α-helix	trans	-61.3	-47.5	179.8	0	0	0	0	0	113.2	I25 Y26 A32 L33	I25-G29 PolarHBondContact O-N 3.12Å; Y26-G29 PolarHBondContact O-N 3.49Å; G29-A32 PolarHBondContact O-N 3.34Å; G29-L33 WeakPolarHBondContact O-CG 3.33Å; G29-L33 PolarHBondContact O-N 2.85Å
30	F	93.7	Very high	91.5	Very high	73 Å²	73	91 Å²	91	32%	0.32	45%	0.449	S	S	.	.	H	α-helix	trans	-65.2	-37.8	176.6	-89.7	-92.7	0	0	0	112.5	Y26 A32 L33 D34 V60 T64 Y102	Y26-F30 WeakPolarHBondContact O-CB 3.43Å; Y26-F30 WeakPolarHBondContact O-CD2 3.36Å; Y26-F30 PolarHBondContact O-N 2.88Å; F30-A32 VanDerWaalsContact C-N 3.35Å; F30-A32 PolarHBondContact O-N 2.98Å; F30-L33 PolarHBondContact O-N 2.8Å; F30-D34 PolarHBondContact O-N 3.4Å; F30-V60 HydrophobicContact CE1-CG1 4.15Å; F30-T64 HydrophobicContact CE1-CG2 4.07Å; F30-T64 HydrophobicContact CZ-CG2 4.44Å; F30-Y102 WeakPolarHBondContact CB-O 3.24Å
31	T	91.7	Very high	91.8	Very high	83 Å²	83	88.2 Å²	88.2	51%	0.509	44%	0.436	S	S	.	.	H	α-helix	trans	-61.6	-42	172.2	-56.1	0	0	0	0	111.6	K27 I28 D34 C35	K27-T31 WeakPolarHBondContact O-CB 3.48Å; K27-T31 PolarHBondContact O-N 2.81Å; K27-T31 PolarHBondContact O-OG1 2.96Å; I28-T31 PolarHBondContact O-N 2.82Å; T31-D34 PolarHBondContact O-N 2.89Å; T31-C35 PolarHBondContact O-N 3.09Å; T31-C35 VanDerWaalsContact O-N 3.14Å; T31-C35 PolarHBondContact O-SG 3.44Å
32	A	93.4	Very high	92.1	Very high	42 Å²	42	88.9 Å²	88.9	35%	0.347	44%	0.443	S	S	.	.	H	α-helix	trans	-67	-37.1	176.7	0	0	0	0	0	112.6	I28 G29 F30 D34 C35 M36	I28-A32 PolarHBondContact O-N 2.81Å; G29-A32 PolarHBondContact O-N 3.34Å; F30-A32 VanDerWaalsContact C-N 3.35Å; F30-A32 PolarHBondContact O-N 2.98Å; A32-D34 VanDerWaalsContact C-N 3.32Å; A32-C35 PolarHBondContact O-N 2.74Å; A32-M36 HydrophobicContact CB-CE 4.2Å; A32-M36 WeakPolarHBondContact O-CE 3.36Å; A32-M36 WeakPolarHBondContact O-CG 3.44Å; A32-M36 PolarHBondContact O-N 3.18Å
33	L	95.3	Very high	92.4	Very high	51 Å²	51	87.6 Å²	87.6	27%	0.267	44%	0.438	S	S	.	.	H	α-helix	trans	-63.5	-35.8	172.8	-72	169	0	0	0	112	G29 F30 M36 R37 V60 Y102	G29-L33 WeakPolarHBondContact O-CG 3.33Å; G29-L33 PolarHBondContact O-N 2.85Å; F30-L33 PolarHBondContact O-N 2.8Å; L33-M36 HydrophobicContact CD2-CE 4.07Å; L33-M36 HydrophobicContact CG-CE 4.5Å; L33-M36 PolarHBondContact O-N 3.36Å; L33-R37 WeakPolarHBondContact O-CB 3.46Å; L33-R37 PolarHBondContact O-N 3.36Å; L33-V60 HydrophobicContact CD1-CG2 4.08Å; L33-Y102 HydrophobicContact CB-CD1 3.82Å; L33-Y102 HydrophobicContact CB-CE1 3.89Å; L33-Y102 WeakPolarHBondContact O-CE1 3.48Å
34	D	94.3	Very high	92.7	Very high	7 Å²	7	81.9 Å²	81.9	4%	0.037	42%	0.423	C	S	.	.	H	α-helix	trans	-66.9	-43.6	175.5	-162.9	44.9	0	0	0	111.5	F30 T31 A32 M36 R37 R38 Y102	F30-D34 PolarHBondContact O-N 3.4Å; T31-D34 PolarHBondContact O-N 2.89Å; A32-D34 VanDerWaalsContact C-N 3.32Å; D34-M36 PolarHBondContact O-N 3.34Å; D34-R37 WeakPolarHBondContact O-CB 3.45Å; D34-R37 PolarHBondContact O-N 3.49Å; D34-R37 IonicContact OD1-CZ 3.14Å; D34-R37 IonicContact OD1-NE 2.66Å; D34-R37 PolarHBondContact OD1-NE 3.03Å; D34-R37 IonicContact OD1-NH2 3.15Å; D34-R37 PolarHBondContact OD1-NH2 3.08Å; D34-R38 WeakPolarHBondContact O-CG 3.16Å; D34-R38 PolarHBondContact O-N 3.35Å; D34-R38 IonicContact OD2-CZ 2.62Å; D34-R38 IonicContact OD2-NE 2.64Å; D34-R38 PolarHBondContact OD2-NE 3.44Å; D34-R38 IonicContact OD2-NH2 3.11Å; D34-R38 PolarHBondContact OD2-NH2 3.14Å; D34-Y102 HydrophobicContact CB-CD1 4.19Å; D34-Y102 HydrophobicContact CB-CG 4.33Å; D34-Y102 WeakPolarHBondContact OD1-CB 3.31Å
35	C	94	Very high	93	Very high	70 Å²	70	77.6 Å²	77.6	47%	0.473	40%	0.403	S	S	.	.	H	α-helix	trans	-59.5	-44.7	173.7	-66	0	0	0	0	111.7	T31 A32 R37 R38 D39	T31-C35 PolarHBondContact O-N 3.09Å; T31-C35 VanDerWaalsContact O-N 3.14Å; T31-C35 PolarHBondContact O-SG 3.44Å; A32-C35 PolarHBondContact O-N 2.74Å; C35-R37 VanDerWaalsContact C-N 3.33Å; C35-R37 PolarHBondContact O-N 2.66Å; C35-R38 PolarHBondContact O-N 3.34Å; C35-D39 PolarHBondContact O-N 3.14Å
36	M	95.4	Very high	93.2	Very high	63 Å²	63	74.1 Å²	74.1	31%	0.31	39%	0.386	S	S	.	.	H	α-helix	trans	-61	-40.7	175.7	-75.5	-176.7	-94.1	0	0	112.2	A32 L33 D34 D39 G40 K41 L42	A32-M36 HydrophobicContact CB-CE 4.2Å; A32-M36 WeakPolarHBondContact O-CE 3.36Å; A32-M36 WeakPolarHBondContact O-CG 3.44Å; A32-M36 PolarHBondContact O-N 3.18Å; L33-M36 HydrophobicContact CD2-CE 4.07Å; L33-M36 HydrophobicContact CG-CE 4.5Å; L33-M36 PolarHBondContact O-N 3.36Å; D34-M36 PolarHBondContact O-N 3.34Å; M36-D39 PolarHBondContact O-N 3.33Å; M36-G40 PolarHBondContact O-N 2.68Å; M36-K41 HydrophobicContact CB-CB 4.42Å; M36-K41 PolarHBondContact O-N 3.2Å; M36-L42 HydrophobicContact SD-CD1 4.44Å
37	R	95.7	Very high	93.5	Very high	34 Å²	34	67 Å²	67	13%	0.128	36%	0.358	C	S	.	.	H	α-helix	trans	-62.8	-45.4	175.1	-178.5	-173.4	63.4	86.2	-0.7	112.3	L33 D34 C35 D39 G40 T55 Y102	L33-R37 WeakPolarHBondContact O-CB 3.46Å; L33-R37 PolarHBondContact O-N 3.36Å; D34-R37 WeakPolarHBondContact O-CB 3.45Å; D34-R37 PolarHBondContact O-N 3.49Å; D34-R37 IonicContact OD1-CZ 3.14Å; D34-R37 IonicContact OD1-NE 2.66Å; D34-R37 PolarHBondContact OD1-NE 3.03Å; D34-R37 IonicContact OD1-NH2 3.15Å; D34-R37 PolarHBondContact OD1-NH2 3.08Å; C35-R37 VanDerWaalsContact C-N 3.33Å; C35-R37 PolarHBondContact O-N 2.66Å; R37-D39 VanDerWaalsContact C-N 3.25Å; R37-D39 PolarHBondContact O-N 2.89Å; R37-G40 PolarHBondContact O-N 3.26Å; R37-T55 WeakPolarHBondContact CG-O 3.3Å; R37-Y102 HydrophobicContact CB-CE1 4.08Å; R37-Y102 VanDerWaalsContact CD-CE2 3.49Å
38	R	92.7	Very high	93.9	Very high	177 Å²	177	62.2 Å²	62.2	67%	0.668	34%	0.338	S	S	*	.	H	α-helix	trans	-62.8	-32.8	178.4	-69	174.8	-166.5	-140.1	5.8	112.3	D34 C35 G40	D34-R38 WeakPolarHBondContact O-CG 3.16Å; D34-R38 PolarHBondContact O-N 3.35Å; D34-R38 IonicContact OD2-CZ 2.62Å; D34-R38 IonicContact OD2-NE 2.64Å; D34-R38 PolarHBondContact OD2-NE 3.44Å; D34-R38 IonicContact OD2-NH2 3.11Å; D34-R38 PolarHBondContact OD2-NH2 3.14Å; C35-R38 PolarHBondContact O-N 3.34Å; R38-G40 VanDerWaalsContact C-N 3.25Å; R38-G40 PolarHBondContact O-N 2.8Å
39	D	92.9	Very high	94	Very high	102 Å²	102	57 Å²	57	55%	0.545	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-3	172.5	-75.1	-4.6	0	0	0	113.8	C35 M36 R37 K41	C35-D39 PolarHBondContact O-N 3.14Å; M36-D39 PolarHBondContact O-N 3.33Å; R37-D39 VanDerWaalsContact C-N 3.25Å; R37-D39 PolarHBondContact O-N 2.89Å; D39-K41 HydrophobicContact CB-CB 4.48Å; D39-K41 HydrophobicContact CB-CD 3.69Å; D39-K41 HydrophobicContact CB-CG 3.87Å; D39-K41 PolarHBondContact O-N 2.84Å; D39-K41 WeakPolarHBondContact OD2-CE 3.43Å; D39-K41 IonicContact OD2-NZ 3.53Å; D39-K41 PolarHBondContact OD2-NZ 3.46Å
40	G	92.3	Very high	93.7	Very high	40 Å²	40	60.1 Å²	60.1	41%	0.412	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.3	10.9	-173.2	0	0	0	0	0	114.7	M36 R37 R38	M36-G40 PolarHBondContact O-N 2.68Å; R37-G40 PolarHBondContact O-N 3.26Å; R38-G40 VanDerWaalsContact C-N 3.25Å; R38-G40 PolarHBondContact O-N 2.8Å
41	K	93.5	Very high	93.4	Very high	115 Å²	115	64 Å²	64	50%	0.5	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	137.6	-176.8	-69.4	167.2	-176	160.2	0	110.2	M36 D39 C43 H57	M36-K41 HydrophobicContact CB-CB 4.42Å; M36-K41 PolarHBondContact O-N 3.2Å; D39-K41 HydrophobicContact CB-CB 4.48Å; D39-K41 HydrophobicContact CB-CD 3.69Å; D39-K41 HydrophobicContact CB-CG 3.87Å; D39-K41 PolarHBondContact O-N 2.84Å; D39-K41 WeakPolarHBondContact OD2-CE 3.43Å; D39-K41 IonicContact OD2-NZ 3.53Å; D39-K41 PolarHBondContact OD2-NZ 3.46Å; K41-C43 PolarHBondContact O-N 2.96Å; K41-H57 PolarHBondContact O-CE1 3.22Å; K41-H57 PolarHBondContact O-NE2 2.91Å; K41-H57 VanDerWaalsContact O-NE2 3.16Å
42	L	93.7	Very high	93.4	Very high	142 Å²	142	64.1 Å²	64.1	74%	0.743	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.8	14.2	176.3	-55.4	176.4	0	0	0	115.6	M36 H57	M36-L42 HydrophobicContact SD-CD1 4.44Å; L42-H57 PolarHBondContact O-CD2 3.24Å
43	C	95.1	Very high	93.5	Very high	35 Å²	35	68.6 Å²	68.6	24%	0.236	35%	0.35	C	S	.	.			trans	-72.3	128.6	175.3	-65	0	0	0	0	110.4	K41 A56	K41-C43 PolarHBondContact O-N 2.96Å; C43-A56 VanDerWaalsContact CA-O 3.3Å; C43-A56 WeakPolarHBondContact CA-O 3.24Å; C43-A56 WeakPolarHBondContact CB-O 3.46Å
44	D	94.6	Very high	93.5	Very high	76 Å²	76	67.4 Å²	67.4	41%	0.406	34%	0.343	S	S	.	.			trans	-116.3	3.3	-175	62.4	-13.7	0	0	0	112.7	A56 H57 K58	D44-A56 PolarHBondContact N-O 3.27Å; D44-H57 VanDerWaalsContact OD1-CA 3.24Å; D44-H57 WeakPolarHBondContact OD1-CA 3.2Å; D44-K58 WeakPolarHBondContact O-CE 3.5Å; D44-K58 WeakPolarHBondContact OD1-CG 3.5Å; D44-K58 PolarHBondContact OD1-N 3.23Å; D44-K58 WeakPolarHBondContact OD2-CB 3.38Å
45	V	95.3	Very high	93.6	Very high	2 Å²	2	69.9 Å²	69.9	1%	0.012	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	143.3	169.6	64.7	0	0	0	0	112	L47 T55 A56 K58 L61 F72 S82 V84	V45-L47 HydrophobicContact CG2-CD2 3.92Å; V45-T55 WeakPolarHBondContact O-CA 3.37Å; V45-A56 HydrophobicContact CG1-CB 4.14Å; V45-A56 PolarHBondContact N-O 3.32Å; V45-A56 PolarHBondContact O-N 3.18Å; V45-K58 HydrophobicContact CB-CD 4.4Å; V45-K58 HydrophobicContact CB-CG 3.74Å; V45-K58 HydrophobicContact CG1-CG 3.72Å; V45-L61 HydrophobicContact CG1-CD1 4.27Å; V45-F72 HydrophobicContact CG1-CZ 4.23Å; V45-F72 HydrophobicContact CG2-CE1 4.27Å; V45-F72 HydrophobicContact CG2-CZ 4.08Å; V45-S82 CarbonylContact C-O 3.55Å; V45-S82 WeakPolarHBondContact CA-O 3.47Å; V45-V84 HydrophobicContact CG2-CG2 4.32Å
46	T	95.7	Very high	93.7	Very high	20 Å²	20	66.6 Å²	66.6	12%	0.123	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	120.3	164.1	-56	0	0	0	0	109.2	I48 R53 F54 S82 E83 V84	T46-I48 HydrophobicContact CG2-CG1 4.5Å; T46-R53 HydrophobicContact CG2-CB 3.91Å; T46-F54 CarbonylContact C-O 3.58Å; T46-F54 WeakPolarHBondContact CA-O 3.39Å; T46-S82 PolarHBondContact N-O 3.37Å; T46-E83 WeakPolarHBondContact O-CA 3.26Å; T46-V84 PolarHBondContact O-N 3.28Å
47	L	94.9	Very high	93.7	Very high	0 Å²	0	64.2 Å²	64.2	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	139.2	172.9	-58.5	-179.3	0	0	0	109.8	V45 R53 F54 L61 F68 F72 V84 I86 L94 I98	V45-L47 HydrophobicContact CG2-CD2 3.92Å; L47-R53 CarbonylContact O-C 3.59Å; L47-R53 WeakPolarHBondContact O-CA 3.46Å; L47-F54 PolarHBondContact N-O 3.33Å; L47-F54 PolarHBondContact O-N 2.92Å; L47-L61 HydrophobicContact CD1-CD1 3.87Å; L47-F68 HydrophobicContact CD1-CE1 3.71Å; L47-F68 HydrophobicContact CD1-CE2 4.23Å; L47-F68 HydrophobicContact CD1-CZ 3.47Å; L47-F68 VanDerWaalsContact CD1-CZ 3.47Å; L47-F68 HydrophobicContact CD2-CE1 4.08Å; L47-F72 HydrophobicContact CD2-CZ 4.45Å; L47-V84 CarbonylContact C-O 3.53Å; L47-V84 WeakPolarHBondContact CA-O 3.41Å; L47-V84 HydrophobicContact CD2-CB 4.05Å; L47-I86 HydrophobicContact CD2-CD1 4.41Å; L47-I86 HydrophobicContact CD2-CG1 4.49Å; L47-L94 HydrophobicContact CB-CD2 4.19Å; L47-L94 HydrophobicContact CD1-CD1 4.17Å; L47-I98 HydrophobicContact CD1-CD1 4.04Å; L47-I98 HydrophobicContact CD1-CG1 4.42Å
48	I	94.3	Very high	93.7	Very high	30 Å²	30	64.1 Å²	64.1	15%	0.154	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	122.2	-179.2	-53	179.4	0	0	0	109.5	T46 N52 R53 V84 T85 I86	T46-I48 HydrophobicContact CG2-CG1 4.5Å; I48-N52 VanDerWaalsContact CA-O 3.3Å; I48-N52 WeakPolarHBondContact CA-O 3.5Å; I48-R53 HydrophobicContact CG1-CG 4.35Å; I48-V84 PolarHBondContact N-O 3.24Å; I48-T85 CarbonylContact O-C 3.59Å; I48-T85 WeakPolarHBondContact O-CA 3.48Å; I48-I86 PolarHBondContact O-N 3.42Å
49	A	91.9	Very high	93.8	Very high	2 Å²	2	62 Å²	62	2%	0.017	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	134.4	173.9	0	0	0	0	0	109.3	N51 N52 A91 L94	A49-N51 PolarHBondContact O-N 3.17Å; A49-N51 VanDerWaalsContact O-N 3.12Å; A49-N52 PolarHBondContact N-O 2.79Å; A49-N52 VanDerWaalsContact N-O 3.08Å; A49-N52 WeakPolarHBondContact O-CA 3.37Å; A49-N52 WeakPolarHBondContact O-CB 3.44Å; A49-N52 PolarHBondContact O-N 3.16Å; A49-A91 HydrophobicContact CB-CB 4.28Å; A49-L94 HydrophobicContact CB-CD2 3.61Å
50	D	86.8	Confident	94	Very high	98 Å²	98	57.4 Å²	57.4	52%	0.524	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	45.8	42.1	-177.6	-47.1	-40.7	0	0	0	114.2	N52 D90 A91	D50-N52 PolarHBondContact O-N 2.92Å; D50-N52 VanDerWaalsContact O-N 3.14Å; D50-N52 PolarHBondContact O-ND2 3.48Å; D50-D90 WeakPolarHBondContact OD2-CA 3.32Å; D50-A91 HydrophobicContact CB-CB 4.01Å; D50-A91 PolarHBondContact OD2-N 2.82Å
51	N	87.5	Confident	94.1	Very high	156 Å²	156	55.5 Å²	55.5	83%	0.834	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	66	-3.9	-173.4	-50.6	-60.2	0	0	0	116.5	A49	A49-N51 PolarHBondContact O-N 3.17Å; A49-N51 VanDerWaalsContact O-N 3.12Å
52	N	92.3	Very high	94.2	Very high	84 Å²	84	50.5 Å²	50.5	45%	0.449	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	146	171.3	-61.3	-72.5	0	0	0	110.6	I48 A49 D50 F54 A91	I48-N52 VanDerWaalsContact CA-O 3.3Å; I48-N52 WeakPolarHBondContact CA-O 3.5Å; A49-N52 PolarHBondContact N-O 2.79Å; A49-N52 VanDerWaalsContact N-O 3.08Å; A49-N52 WeakPolarHBondContact O-CA 3.37Å; A49-N52 WeakPolarHBondContact O-CB 3.44Å; A49-N52 PolarHBondContact O-N 3.16Å; D50-N52 PolarHBondContact O-N 2.92Å; D50-N52 VanDerWaalsContact O-N 3.14Å; D50-N52 PolarHBondContact O-ND2 3.48Å; N52-F54 HydrophobicContact CB-CE1 4.49Å; N52-F54 HydrophobicContact CB-CE2 3.68Å; N52-F54 HydrophobicContact CB-CZ 3.61Å; N52-A91 HydrophobicContact CB-CB 4.11Å; N52-A91 WeakPolarHBondContact ND2-CB 3.33Å
53	R	94.8	Very high	94.3	Very high	137 Å²	137	47.5 Å²	47.5	52%	0.517	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	125.3	-175.6	-51.4	-176.6	94.6	-123.2	13.2	110.2	T46 L47 I48 E83	T46-R53 HydrophobicContact CG2-CB 3.91Å; L47-R53 CarbonylContact O-C 3.59Å; L47-R53 WeakPolarHBondContact O-CA 3.46Å; I48-R53 HydrophobicContact CG1-CG 4.35Å; R53-E83 IonicContact CZ-OE1 3.73Å; R53-E83 IonicContact CZ-OE2 3.97Å; R53-E83 IonicContact NH1-OE1 3.91Å; R53-E83 IonicContact NH2-OE1 2.69Å; R53-E83 PolarHBondContact NH2-OE1 2.88Å; R53-E83 IonicContact NH2-OE2 2.75Å; R53-E83 PolarHBondContact NH2-OE2 2.85Å
54	F	95.5	Very high	94.2	Very high	26 Å²	26	48 Å²	48	11%	0.114	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	112.8	-174.6	-53	-82.2	0	0	0	110.9	T46 L47 N52 A91 L94 E95 I98	T46-F54 CarbonylContact C-O 3.58Å; T46-F54 WeakPolarHBondContact CA-O 3.39Å; L47-F54 PolarHBondContact N-O 3.33Å; L47-F54 PolarHBondContact O-N 2.92Å; N52-F54 HydrophobicContact CB-CE1 4.49Å; N52-F54 HydrophobicContact CB-CE2 3.68Å; N52-F54 HydrophobicContact CB-CZ 3.61Å; F54-A91 HydrophobicContact CE2-CB 4.3Å; F54-A91 HydrophobicContact CZ-CB 4.18Å; F54-A91 WeakPolarHBondContact CZ-O 3.42Å; F54-L94 HydrophobicContact CD2-CD2 3.88Å; F54-L94 HydrophobicContact CD2-CG 4.3Å; F54-L94 HydrophobicContact CE2-CD2 4.08Å; F54-L94 HydrophobicContact CE2-CG 4.43Å; F54-E95 HydrophobicContact CD1-CB 4.31Å; F54-E95 HydrophobicContact CD1-CG 4.35Å; F54-E95 HydrophobicContact CE1-CB 3.66Å; F54-E95 HydrophobicContact CE1-CG 3.93Å; F54-E95 HydrophobicContact CZ-CB 4.12Å; F54-I98 HydrophobicContact CB-CD1 3.45Å; F54-I98 VanDerWaalsContact CB-CD1 3.45Å; F54-I98 HydrophobicContact CD1-CD1 4.49Å; F54-I98 HydrophobicContact CD2-CD1 4.41Å; F54-I98 HydrophobicContact CG-CD1 3.9Å
55	T	96.1	Very high	94.3	Very high	59 Å²	59	44.4 Å²	44.4	36%	0.362	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	135.6	174.2	50	0	0	0	0	111	R37 V45	R37-T55 WeakPolarHBondContact CG-O 3.3Å; V45-T55 WeakPolarHBondContact O-CA 3.37Å
56	A	96.7	Very high	94.3	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	174.8	179.8	0	0	0	0	0	111.8	C43 D44 V45 L61	C43-A56 VanDerWaalsContact CA-O 3.3Å; C43-A56 WeakPolarHBondContact CA-O 3.24Å; C43-A56 WeakPolarHBondContact CB-O 3.46Å; D44-A56 PolarHBondContact N-O 3.27Å; V45-A56 HydrophobicContact CG1-CB 4.14Å; V45-A56 PolarHBondContact N-O 3.32Å; V45-A56 PolarHBondContact O-N 3.18Å; A56-L61 HydrophobicContact CB-CD1 3.65Å; A56-L61 HydrophobicContact CB-CG 4.12Å
57	H	96.4	Very high	94.2	Very high	13 Å²	13	48.6 Å²	48.6	6%	0.06	26%	0.262	C	S	.	.			trans	-105.1	119.4	173.2	-53.6	71.6	0	0	0	109.1	K41 L42 D44 I59 V60 L61 Y102	K41-H57 PolarHBondContact O-CE1 3.22Å; K41-H57 PolarHBondContact O-NE2 2.91Å; K41-H57 VanDerWaalsContact O-NE2 3.16Å; L42-H57 PolarHBondContact O-CD2 3.24Å; D44-H57 VanDerWaalsContact OD1-CA 3.24Å; D44-H57 WeakPolarHBondContact OD1-CA 3.2Å; H57-I59 HydrophobicContact CB-CG2 4.28Å; H57-I59 PolarHBondContact O-N 3.29Å; H57-V60 HydrophobicContact CB-CB 4.42Å; H57-V60 HydrophobicContact CB-CG2 4.05Å; H57-V60 PolarHBondContact O-N 3.46Å; H57-L61 PolarHBondContact O-N 3.1Å; H57-L61 VanDerWaalsContact O-N 3.17Å; H57-Y102 VanDerWaalsContact CB-OH 3.24Å; H57-Y102 WeakPolarHBondContact CB-OH 3.39Å; H57-Y102 PolarHBondContact N-OH 3.08Å; H57-Y102 AromaticContact ND1-CE1 3.92Å; H57-Y102 AromaticContact ND1-CZ 3.8Å; H57-Y102 PolarHBondContact ND1-OH 2.8Å
58	K	94.7	Very high	94.2	Very high	32 Å²	32	48.6 Å²	48.6	14%	0.139	26%	0.262	C	S	.	.	H	α-helix	trans	-51.4	-41.9	179.6	-71.2	-179.7	176.2	-177.9	0	111.5	D44 V45 V60 L61 A62 F72 S79 K81	D44-K58 WeakPolarHBondContact O-CE 3.5Å; D44-K58 WeakPolarHBondContact OD1-CG 3.5Å; D44-K58 PolarHBondContact OD1-N 3.23Å; D44-K58 WeakPolarHBondContact OD2-CB 3.38Å; V45-K58 HydrophobicContact CB-CD 4.4Å; V45-K58 HydrophobicContact CB-CG 3.74Å; V45-K58 HydrophobicContact CG1-CG 3.72Å; K58-V60 PolarHBondContact O-N 3.16Å; K58-L61 PolarHBondContact O-N 2.98Å; K58-A62 WeakPolarHBondContact O-CB 3.43Å; K58-A62 PolarHBondContact O-N 3.31Å; K58-F72 HydrophobicContact CB-CD2 3.94Å; K58-F72 HydrophobicContact CB-CE2 4.26Å; K58-F72 HydrophobicContact CB-CG 4.24Å; K58-F72 HydrophobicContact CD-CD1 4.24Å; K58-F72 HydrophobicContact CD-CG 4.4Å; K58-F72 HydrophobicContact CG-CD1 4.22Å; K58-F72 HydrophobicContact CG-CD2 4.07Å; K58-F72 HydrophobicContact CG-CE1 4.24Å; K58-F72 HydrophobicContact CG-CE2 4.09Å; K58-F72 HydrophobicContact CG-CG 4.16Å; K58-F72 HydrophobicContact CG-CZ 4.18Å; K58-S79 PolarHBondContact NZ-O 3.02Å; K58-K81 WeakPolarHBondContact CE-O 3.45Å; K58-K81 PolarHBondContact NZ-O 2.74Å
59	I	94.9	Very high	94.1	Very high	132 Å²	132	50.6 Å²	50.6	68%	0.677	27%	0.273	S	S	*	.	H	α-helix	trans	-61.8	-37.9	179.4	-167.7	168.7	0	0	0	113.2	H57 A63	H57-I59 HydrophobicContact CB-CG2 4.28Å; H57-I59 PolarHBondContact O-N 3.29Å; I59-A63 WeakPolarHBondContact O-CB 3.34Å; I59-A63 PolarHBondContact O-N 3.38Å
60	V	96.1	Very high	94.1	Very high	7 Å²	7	52.2 Å²	52.2	4%	0.042	29%	0.291	C	S	.	.	H	α-helix	trans	-74.5	-44.5	179.6	-179.8	0	0	0	0	110.3	F30 L33 H57 K58 A63 T64 Y102	F30-V60 HydrophobicContact CE1-CG1 4.15Å; L33-V60 HydrophobicContact CD1-CG2 4.08Å; H57-V60 HydrophobicContact CB-CB 4.42Å; H57-V60 HydrophobicContact CB-CG2 4.05Å; H57-V60 PolarHBondContact O-N 3.46Å; K58-V60 PolarHBondContact O-N 3.16Å; V60-A63 PolarHBondContact O-N 3.19Å; V60-T64 WeakPolarHBondContact O-CB 3.48Å; V60-T64 WeakPolarHBondContact O-CG2 3.46Å; V60-T64 PolarHBondContact O-N 3.03Å; V60-T64 PolarHBondContact O-OG1 3.15Å; V60-Y102 HydrophobicContact CB-CE1 4.01Å; V60-Y102 HydrophobicContact CB-CE2 4.04Å; V60-Y102 HydrophobicContact CG1-CD1 4Å; V60-Y102 HydrophobicContact CG1-CD2 3.88Å; V60-Y102 HydrophobicContact CG1-CE1 3.79Å; V60-Y102 HydrophobicContact CG1-CE2 3.63Å; V60-Y102 HydrophobicContact CG1-CG 4.06Å; V60-Y102 HydrophobicContact CG2-CE1 3.83Å
61	L	96	Very high	94.3	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-62.2	-46.9	176.7	-65.6	-178.5	0	0	0	111.5	V45 L47 A56 H57 K58 A63 T64 I65 F68 F72 I98 A101	V45-L61 HydrophobicContact CG1-CD1 4.27Å; L47-L61 HydrophobicContact CD1-CD1 3.87Å; A56-L61 HydrophobicContact CB-CD1 3.65Å; A56-L61 HydrophobicContact CB-CG 4.12Å; H57-L61 PolarHBondContact O-N 3.1Å; H57-L61 VanDerWaalsContact O-N 3.17Å; K58-L61 PolarHBondContact O-N 2.98Å; L61-A63 VanDerWaalsContact C-N 3.31Å; L61-A63 PolarHBondContact O-N 2.97Å; L61-T64 PolarHBondContact O-N 3.42Å; L61-I65 HydrophobicContact CD2-CD1 4.43Å; L61-I65 PolarHBondContact O-N 3.15Å; L61-F68 HydrophobicContact CB-CB 3.78Å; L61-F68 HydrophobicContact CB-CD2 3.93Å; L61-F68 HydrophobicContact CB-CG 3.94Å; L61-F68 HydrophobicContact CD1-CD2 4.27Å; L61-F68 HydrophobicContact CD1-CE2 4.46Å; L61-F68 HydrophobicContact CD1-CG 4.35Å; L61-F68 HydrophobicContact CD2-CD2 4.17Å; L61-F68 HydrophobicContact CD2-CE2 4.39Å; L61-F68 HydrophobicContact CG-CD2 4.36Å; L61-F72 HydrophobicContact CB-CE2 4.02Å; L61-F72 HydrophobicContact CD1-CE2 4.04Å; L61-I98 HydrophobicContact CD2-CG1 4.46Å; L61-A101 HydrophobicContact CD2-CB 3.92Å
62	A	94.7	Very high	94.5	Very high	9 Å²	9	41.9 Å²	41.9	7%	0.074	23%	0.234	C	C	.	.	H	α-helix	trans	-65.7	-29.8	177.1	0	0	0	0	0	113.3	K58 N69 F72	K58-A62 WeakPolarHBondContact O-CB 3.43Å; K58-A62 PolarHBondContact O-N 3.31Å; A62-N69 VanDerWaalsContact O-CB 3.31Å; A62-N69 WeakPolarHBondContact O-CB 3.38Å; A62-N69 PolarHBondContact O-ND2 3.23Å; A62-F72 HydrophobicContact CB-CD2 4.33Å
63	A	95.4	Very high	94.3	Very high	79 Å²	79	43.9 Å²	43.9	65%	0.653	24%	0.244	S	C	*	.	H	α-helix	trans	-76.9	-21	176.9	0	0	0	0	0	113.8	I59 V60 L61	I59-A63 WeakPolarHBondContact O-CB 3.34Å; I59-A63 PolarHBondContact O-N 3.38Å; V60-A63 PolarHBondContact O-N 3.19Å; L61-A63 VanDerWaalsContact C-N 3.31Å; L61-A63 PolarHBondContact O-N 2.97Å
64	T	94.7	Very high	93.8	Very high	45 Å²	45	39.1 Å²	39.1	28%	0.276	23%	0.232	S	C	.	.	H	α-helix	trans	-121.6	-22.3	-167.8	57.3	0	0	0	0	115	F30 V60 L61 A101	F30-T64 HydrophobicContact CE1-CG2 4.07Å; F30-T64 HydrophobicContact CZ-CG2 4.44Å; V60-T64 WeakPolarHBondContact O-CB 3.48Å; V60-T64 WeakPolarHBondContact O-CG2 3.46Å; V60-T64 PolarHBondContact O-N 3.03Å; V60-T64 PolarHBondContact O-OG1 3.15Å; L61-T64 PolarHBondContact O-N 3.42Å; T64-A101 VanDerWaalsContact OG1-CB 3.29Å; T64-A101 WeakPolarHBondContact OG1-CB 3.01Å
65	I	96.1	Very high	93	Very high	2 Å²	2	46.2 Å²	46.2	1%	0.01	27%	0.271	C	S	.	.			trans	-125.6	117.6	-177.2	-60.5	-179	0	0	0	109.5	L61 F67 F68 N69 F97 A101 L123 L125	L61-I65 HydrophobicContact CD2-CD1 4.43Å; L61-I65 PolarHBondContact O-N 3.15Å; I65-F67 VanDerWaalsContact C-N 3.3Å; I65-F67 HydrophobicContact CG2-CB 4.22Å; I65-F67 PolarHBondContact O-N 3.18Å; I65-F68 HydrophobicContact CB-CB 4.5Å; I65-F68 HydrophobicContact CB-CD2 3.82Å; I65-F68 HydrophobicContact CD1-CD2 3.92Å; I65-F68 HydrophobicContact CD1-CE2 4.05Å; I65-F68 HydrophobicContact CG1-CD2 4.42Å; I65-F68 HydrophobicContact CG2-CD2 3.7Å; I65-F68 HydrophobicContact CG2-CE2 4.27Å; I65-F68 PolarHBondContact O-N 2.99Å; I65-F68 VanDerWaalsContact O-N 3.11Å; I65-N69 PolarHBondContact O-N 2.83Å; I65-F97 HydrophobicContact CD1-CB 4.45Å; I65-A101 HydrophobicContact CD1-CB 4.02Å; I65-A101 HydrophobicContact CG1-CB 4.39Å; I65-L123 HydrophobicContact CG2-CB 3.87Å; I65-L123 HydrophobicContact CG2-CD2 4.27Å; I65-L123 HydrophobicContact CG2-CG 4.46Å; I65-L125 HydrophobicContact CG1-CD1 4.43Å; I65-L125 HydrophobicContact CG1-CD2 4.3Å; I65-L125 HydrophobicContact CG2-CD2 4.4Å
66	P	94.4	Very high	92	Very high	60 Å²	60	47.8 Å²	47.8	39%	0.39	28%	0.275	S	S	.	.	H	α-helix	trans	-58.8	-36.2	-175.3	-24.9	33.2	0	0	0	114.3	F68 N69 G70 Q124	P66-F68 PolarHBondContact O-N 3.12Å; P66-N69 WeakPolarHBondContact O-CB 3.37Å; P66-N69 PolarHBondContact O-N 2.66Å; P66-G70 PolarHBondContact O-N 3.19Å; P66-Q124 HydrophobicContact CB-CB 4.18Å; P66-Q124 HydrophobicContact CG-CB 4.4Å
67	F	93.7	Very high	91.2	Very high	49 Å²	49	50.5 Å²	50.5	22%	0.215	30%	0.298	C	S	.	.	H	α-helix	trans	-58.7	-46.4	175.1	176.9	-92.5	0	0	0	112.5	I65 G70 M71 I86 F122 L123	I65-F67 VanDerWaalsContact C-N 3.3Å; I65-F67 HydrophobicContact CG2-CB 4.22Å; I65-F67 PolarHBondContact O-N 3.18Å; F67-G70 PolarHBondContact O-N 3.28Å; F67-M71 HydrophobicContact CD1-CE 4.43Å; F67-M71 HydrophobicContact CE1-CE 3.42Å; F67-M71 VanDerWaalsContact CE1-CE 3.42Å; F67-M71 HydrophobicContact CE1-SD 4.39Å; F67-M71 HydrophobicContact CZ-CE 3.55Å; F67-M71 WeakPolarHBondContact O-CB 3.42Å; F67-M71 PolarHBondContact O-N 3.14Å; F67-I86 HydrophobicContact CE1-CD1 4.2Å; F67-F122 HydrophobicContact CD2-CE1 4.29Å; F67-F122 HydrophobicContact CE1-CE1 4.08Å; F67-F122 HydrophobicContact CE2-CD1 4.4Å; F67-F122 AromaticContact CE2-CE1 3.72Å; F67-F122 HydrophobicContact CE2-CE1 3.72Å; F67-F122 HydrophobicContact CE2-CZ 4.1Å; F67-F122 AromaticContact CZ-CE1 3.6Å; F67-F122 HydrophobicContact CZ-CE1 3.6Å; F67-F122 HydrophobicContact CZ-CZ 4.05Å; F67-L123 HydrophobicContact CB-CB 4.43Å; F67-L123 HydrophobicContact CB-CD2 3.94Å; F67-L123 HydrophobicContact CD1-CD2 3.57Å; F67-L123 HydrophobicContact CE1-CD2 4.26Å; F67-L123 HydrophobicContact CG-CD2 3.85Å
68	F	94.4	Very high	90.4	Very high	0 Å²	0	52 Å²	52	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-74.4	-26.6	177.5	-67.4	-56.3	0	0	0	112.9	L47 L61 I65 P66 M71 F72 I86 L94 L123	L47-F68 HydrophobicContact CD1-CE1 3.71Å; L47-F68 HydrophobicContact CD1-CE2 4.23Å; L47-F68 HydrophobicContact CD1-CZ 3.47Å; L47-F68 VanDerWaalsContact CD1-CZ 3.47Å; L47-F68 HydrophobicContact CD2-CE1 4.08Å; L61-F68 HydrophobicContact CB-CB 3.78Å; L61-F68 HydrophobicContact CB-CD2 3.93Å; L61-F68 HydrophobicContact CB-CG 3.94Å; L61-F68 HydrophobicContact CD1-CD2 4.27Å; L61-F68 HydrophobicContact CD1-CE2 4.46Å; L61-F68 HydrophobicContact CD1-CG 4.35Å; L61-F68 HydrophobicContact CD2-CD2 4.17Å; L61-F68 HydrophobicContact CD2-CE2 4.39Å; L61-F68 HydrophobicContact CG-CD2 4.36Å; I65-F68 HydrophobicContact CB-CB 4.5Å; I65-F68 HydrophobicContact CB-CD2 3.82Å; I65-F68 HydrophobicContact CD1-CD2 3.92Å; I65-F68 HydrophobicContact CD1-CE2 4.05Å; I65-F68 HydrophobicContact CG1-CD2 4.42Å; I65-F68 HydrophobicContact CG2-CD2 3.7Å; I65-F68 HydrophobicContact CG2-CE2 4.27Å; I65-F68 PolarHBondContact O-N 2.99Å; I65-F68 VanDerWaalsContact O-N 3.11Å; P66-F68 PolarHBondContact O-N 3.12Å; F68-M71 HydrophobicContact CD1-SD 4.06Å; F68-M71 HydrophobicContact CE1-SD 4.29Å; F68-M71 PolarHBondContact O-N 2.89Å; F68-F72 HydrophobicContact CB-CD2 4.01Å; F68-F72 HydrophobicContact CB-CE2 3.8Å; F68-F72 AromaticContact CD1-CE2 3.82Å; F68-F72 HydrophobicContact CD1-CE2 3.82Å; F68-F72 AromaticContact CD1-CZ 3.91Å; F68-F72 HydrophobicContact CD1-CZ 3.91Å; F68-F72 HydrophobicContact CG-CE2 4.06Å; F68-F72 WeakPolarHBondContact O-CB 3.41Å; F68-F72 VanDerWaalsContact O-CD2 3.27Å; F68-F72 WeakPolarHBondContact O-CD2 3.45Å; F68-F72 WeakPolarHBondContact O-CG 3.36Å; F68-F72 PolarHBondContact O-N 3.11Å; F68-I86 HydrophobicContact CE1-CD1 4.2Å; F68-L94 HydrophobicContact CZ-CD1 4.21Å; F68-L123 HydrophobicContact CE2-CD2 3.97Å; F68-L123 HydrophobicContact CZ-CD2 4.13Å
69	N	93	Very high	89.8	Confident	72 Å²	72	52.1 Å²	52.1	39%	0.385	31%	0.31	S	S	.	.	H	α-helix	trans	-59.3	-54.1	168.8	-169.6	-80	0	0	0	110.4	A62 I65 P66 M71 F72 L73	A62-N69 VanDerWaalsContact O-CB 3.31Å; A62-N69 WeakPolarHBondContact O-CB 3.38Å; A62-N69 PolarHBondContact O-ND2 3.23Å; I65-N69 PolarHBondContact O-N 2.83Å; P66-N69 WeakPolarHBondContact O-CB 3.37Å; P66-N69 PolarHBondContact O-N 2.66Å; N69-M71 VanDerWaalsContact C-N 3.32Å; N69-M71 PolarHBondContact O-N 2.99Å; N69-F72 PolarHBondContact O-N 3.09Å; N69-L73 VanDerWaalsContact O-CB 3.28Å; N69-L73 WeakPolarHBondContact O-CB 3.37Å; N69-L73 PolarHBondContact O-N 3.48Å
70	G	91	Very high	89.3	Confident	37 Å²	37	51.7 Å²	51.7	38%	0.381	31%	0.313	S	S	.	.	H	α-helix	trans	-61.3	-37.3	175.8	0	0	0	0	0	113.2	P66 F67 S74	P66-G70 PolarHBondContact O-N 3.19Å; F67-G70 PolarHBondContact O-N 3.28Å; G70-S74 WeakPolarHBondContact O-CB 3.47Å; G70-S74 PolarHBondContact O-N 2.96Å; G70-S74 PolarHBondContact O-OG 3.37Å
71	M	91	Very high	88.9	Confident	17 Å²	17	55.7 Å²	55.7	8%	0.084	33%	0.33	C	S	.	.	H	α-helix	trans	-68.4	-45.9	178.6	-176.4	177.3	-81	0	0	113.5	F67 F68 N69 E78 V84 I86	F67-M71 HydrophobicContact CD1-CE 4.43Å; F67-M71 HydrophobicContact CE1-CE 3.42Å; F67-M71 VanDerWaalsContact CE1-CE 3.42Å; F67-M71 HydrophobicContact CE1-SD 4.39Å; F67-M71 HydrophobicContact CZ-CE 3.55Å; F67-M71 WeakPolarHBondContact O-CB 3.42Å; F67-M71 PolarHBondContact O-N 3.14Å; F68-M71 HydrophobicContact CD1-SD 4.06Å; F68-M71 HydrophobicContact CE1-SD 4.29Å; F68-M71 PolarHBondContact O-N 2.89Å; N69-M71 VanDerWaalsContact C-N 3.32Å; N69-M71 PolarHBondContact O-N 2.99Å; M71-E78 HydrophobicContact CE-CG 4.42Å; M71-E78 HydrophobicContact CG-CB 3.58Å; M71-E78 HydrophobicContact CG-CG 4.25Å; M71-E78 HydrophobicContact SD-CB 4.12Å; M71-E78 HydrophobicContact SD-CG 4.38Å; M71-V84 HydrophobicContact CE-CG1 4.15Å; M71-V84 HydrophobicContact SD-CG1 3.87Å; M71-I86 HydrophobicContact CE-CD1 4Å
72	F	92.1	Very high	88.6	Confident	20 Å²	20	59.6 Å²	59.6	9%	0.088	36%	0.357	C	S	.	.	H	α-helix	trans	-93.4	-21.3	-171.8	-58.7	-40.8	0	0	0	114.3	V45 L47 K58 L61 A62 F68 N69	V45-F72 HydrophobicContact CG1-CZ 4.23Å; V45-F72 HydrophobicContact CG2-CE1 4.27Å; V45-F72 HydrophobicContact CG2-CZ 4.08Å; L47-F72 HydrophobicContact CD2-CZ 4.45Å; K58-F72 HydrophobicContact CB-CD2 3.94Å; K58-F72 HydrophobicContact CB-CE2 4.26Å; K58-F72 HydrophobicContact CB-CG 4.24Å; K58-F72 HydrophobicContact CD-CD1 4.24Å; K58-F72 HydrophobicContact CD-CG 4.4Å; K58-F72 HydrophobicContact CG-CD1 4.22Å; K58-F72 HydrophobicContact CG-CD2 4.07Å; K58-F72 HydrophobicContact CG-CE1 4.24Å; K58-F72 HydrophobicContact CG-CE2 4.09Å; K58-F72 HydrophobicContact CG-CG 4.16Å; K58-F72 HydrophobicContact CG-CZ 4.18Å; L61-F72 HydrophobicContact CB-CE2 4.02Å; L61-F72 HydrophobicContact CD1-CE2 4.04Å; A62-F72 HydrophobicContact CB-CD2 4.33Å; F68-F72 HydrophobicContact CB-CD2 4.01Å; F68-F72 HydrophobicContact CB-CE2 3.8Å; F68-F72 AromaticContact CD1-CE2 3.82Å; F68-F72 HydrophobicContact CD1-CE2 3.82Å; F68-F72 AromaticContact CD1-CZ 3.91Å; F68-F72 HydrophobicContact CD1-CZ 3.91Å; F68-F72 HydrophobicContact CG-CE2 4.06Å; F68-F72 WeakPolarHBondContact O-CB 3.41Å; F68-F72 VanDerWaalsContact O-CD2 3.27Å; F68-F72 WeakPolarHBondContact O-CD2 3.45Å; F68-F72 WeakPolarHBondContact O-CG 3.36Å; F68-F72 PolarHBondContact O-N 3.11Å; N69-F72 PolarHBondContact O-N 3.09Å
73	L	89.2	Confident	88.5	Confident	125 Å²	125	63.5 Å²	63.5	65%	0.654	37%	0.374	S	S	*	.	H	α-helix	trans	-101.9	2.3	178.8	-55.2	-177.6	0	0	0	114	N69	N69-L73 VanDerWaalsContact O-CB 3.28Å; N69-L73 WeakPolarHBondContact O-CB 3.37Å; N69-L73 PolarHBondContact O-N 3.48Å
74	S	84.3	Confident	88.4	Confident	38 Å²	38	60 Å²	60	27%	0.266	35%	0.345	S	S	.	.	S	Bend	trans	-96.5	168.8	171.5	66.7	0	0	0	0	112.2	G70 M76 S79	G70-S74 WeakPolarHBondContact O-CB 3.47Å; G70-S74 PolarHBondContact O-N 2.96Å; G70-S74 PolarHBondContact O-OG 3.37Å; S74-M76 PolarHBondContact O-N 2.94Å; S74-M76 VanDerWaalsContact O-N 3.09Å; S74-M76 WeakPolarHBondContact OG-CG 3.38Å; S74-M76 PolarHBondContact OG-N 3.26Å; S74-S79 WeakPolarHBondContact O-CB 3.43Å
75	N	77.3	Confident	88.3	Confident	175 Å²	175	61.4 Å²	61.4	94%	0.936	35%	0.353	S	S	*	.	S	Bend	trans	-77.4	21.8	174	-64	-19.9	0	0	0	113.4
76	M	76.6	Confident	88.1	Confident	91 Å²	91	61.7 Å²	61.7	45%	0.448	36%	0.355	S	S	.	.	S	Bend	trans	-74.7	157.3	175.7	-68.4	-163.5	-58.2	0	0	111.5	S74 E78 S79	S74-M76 PolarHBondContact O-N 2.94Å; S74-M76 VanDerWaalsContact O-N 3.09Å; S74-M76 WeakPolarHBondContact OG-CG 3.38Å; S74-M76 PolarHBondContact OG-N 3.26Å; M76-E78 PolarHBondContact O-N 2.86Å; M76-S79 WeakPolarHBondContact O-CB 3.49Å; M76-S79 PolarHBondContact O-N 2.97Å; M76-S79 VanDerWaalsContact O-N 3.15Å; M76-S79 PolarHBondContact O-OG 3.21Å
77	A	78.6	Confident	87.8	Confident	57 Å²	57	65.9 Å²	65.9	47%	0.471	37%	0.369	S	S	.	.	G	3₁₀ helix	trans	-62.2	-27.2	-176.7	0	0	0	0	0	112.7	S79 T80 K81	A77-S79 PolarHBondContact O-N 3.25Å; A77-T80 PolarHBondContact O-N 3.36Å; A77-T80 PolarHBondContact O-OG1 3.03Å; A77-K81 WeakPolarHBondContact O-CG 3.41Å; A77-K81 PolarHBondContact O-N 2.66Å
78	E	80.9	Confident	87.2	Confident	46 Å²	46	66.8 Å²	66.8	22%	0.215	39%	0.392	C	S	.	.	G	3₁₀ helix	trans	-65.4	-24.5	179.6	-69	55.9	-124.2	0	0	112.6	M71 M76 T80 K81 V84	M71-E78 HydrophobicContact CE-CG 4.42Å; M71-E78 HydrophobicContact CG-CB 3.58Å; M71-E78 HydrophobicContact CG-CG 4.25Å; M71-E78 HydrophobicContact SD-CB 4.12Å; M71-E78 HydrophobicContact SD-CG 4.38Å; M76-E78 PolarHBondContact O-N 2.86Å; E78-T80 VanDerWaalsContact C-N 3.3Å; E78-T80 PolarHBondContact O-N 2.7Å; E78-K81 IonicContact OE1-NZ 2.66Å; E78-K81 PolarHBondContact OE1-NZ 3.39Å; E78-V84 HydrophobicContact CB-CG1 4.46Å; E78-V84 HydrophobicContact CB-CG2 4.24Å; E78-V84 HydrophobicContact CG-CG1 3.91Å; E78-V84 HydrophobicContact CG-CG2 4.38Å
79	S	82	Confident	87	Confident	34 Å²	34	67 Å²	67	24%	0.238	39%	0.393	C	S	.	.	G	3₁₀ helix	trans	-59.2	-39.8	176.1	64.3	0	0	0	0	112.3	K58 S74 M76 A77	K58-S79 PolarHBondContact NZ-O 3.02Å; S74-S79 WeakPolarHBondContact O-CB 3.43Å; M76-S79 WeakPolarHBondContact O-CB 3.49Å; M76-S79 PolarHBondContact O-N 2.97Å; M76-S79 VanDerWaalsContact O-N 3.15Å; M76-S79 PolarHBondContact O-OG 3.21Å; A77-S79 PolarHBondContact O-N 3.25Å
80	T	83.8	Confident	86.8	Confident	122 Å²	122	66.8 Å²	66.8	75%	0.748	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.7	-18.4	-176.7	60.1	0	0	0	0	114.1	A77 E78	A77-T80 PolarHBondContact O-N 3.36Å; A77-T80 PolarHBondContact O-OG1 3.03Å; E78-T80 VanDerWaalsContact C-N 3.3Å; E78-T80 PolarHBondContact O-N 2.7Å
81	K	88.4	Confident	86.9	Confident	91 Å²	91	65.3 Å²	65.3	40%	0.396	38%	0.376	S	S	.	.			trans	-65.7	144	177.1	-70.7	173	-169.9	172.3	0	111.9	K58 A77 E78 E83 V84	K58-K81 WeakPolarHBondContact CE-O 3.45Å; K58-K81 PolarHBondContact NZ-O 2.74Å; A77-K81 WeakPolarHBondContact O-CG 3.41Å; A77-K81 PolarHBondContact O-N 2.66Å; E78-K81 IonicContact OE1-NZ 2.66Å; E78-K81 PolarHBondContact OE1-NZ 3.39Å; K81-E83 WeakPolarHBondContact CB-O 3.44Å; K81-V84 HydrophobicContact CB-CG2 4.13Å
82	S	89.3	Confident	87	Confident	82 Å²	82	68.7 Å²	68.7	57%	0.573	40%	0.4	S	S	*	.	S	Bend	trans	-86	-18.1	166	54	0	0	0	0	112.6	V45 T46	V45-S82 CarbonylContact C-O 3.55Å; V45-S82 WeakPolarHBondContact CA-O 3.47Å; T46-S82 PolarHBondContact N-O 3.37Å
83	E	92.8	Very high	87.1	Confident	91 Å²	91	67.7 Å²	67.7	43%	0.425	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	129.2	-179.5	-53.5	-165.3	169.1	0	0	110.3	T46 R53 K81	T46-E83 WeakPolarHBondContact O-CA 3.26Å; R53-E83 IonicContact CZ-OE1 3.73Å; R53-E83 IonicContact CZ-OE2 3.97Å; R53-E83 IonicContact NH1-OE1 3.91Å; R53-E83 IonicContact NH2-OE1 2.69Å; R53-E83 PolarHBondContact NH2-OE1 2.88Å; R53-E83 IonicContact NH2-OE2 2.75Å; R53-E83 PolarHBondContact NH2-OE2 2.85Å; K81-E83 WeakPolarHBondContact CB-O 3.44Å
84	V	92.7	Very high	87.4	Confident	6 Å²	6	61.8 Å²	61.8	4%	0.036	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	119.5	-177.5	-177.8	0	0	0	0	110	V45 T46 L47 I48 M71 E78 K81 I86	V45-V84 HydrophobicContact CG2-CG2 4.32Å; T46-V84 PolarHBondContact O-N 3.28Å; L47-V84 CarbonylContact C-O 3.53Å; L47-V84 WeakPolarHBondContact CA-O 3.41Å; L47-V84 HydrophobicContact CD2-CB 4.05Å; I48-V84 PolarHBondContact N-O 3.24Å; M71-V84 HydrophobicContact CE-CG1 4.15Å; M71-V84 HydrophobicContact SD-CG1 3.87Å; E78-V84 HydrophobicContact CB-CG1 4.46Å; E78-V84 HydrophobicContact CB-CG2 4.24Å; E78-V84 HydrophobicContact CG-CG1 3.91Å; E78-V84 HydrophobicContact CG-CG2 4.38Å; K81-V84 HydrophobicContact CB-CG2 4.13Å; V84-I86 HydrophobicContact CG1-CD1 4.01Å
85	T	92.7	Very high	87.9	Confident	74 Å²	74	65.4 Å²	65.4	45%	0.454	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	127.4	173.8	-48.2	0	0	0	0	110.1	I48	I48-T85 CarbonylContact O-C 3.59Å; I48-T85 WeakPolarHBondContact O-CA 3.48Å
86	I	91.4	Very high	88.8	Confident	8 Å²	8	58.5 Å²	58.5	4%	0.041	35%	0.345	C	S	.	.			trans	-101.9	113.6	174.8	-52.1	-58.5	0	0	0	107.7	L47 I48 F67 F68 M71 V84 L89 L94 F122	L47-I86 HydrophobicContact CD2-CD1 4.41Å; L47-I86 HydrophobicContact CD2-CG1 4.49Å; I48-I86 PolarHBondContact O-N 3.42Å; F67-I86 HydrophobicContact CE1-CD1 4.2Å; F68-I86 HydrophobicContact CE1-CD1 4.2Å; M71-I86 HydrophobicContact CE-CD1 4Å; V84-I86 HydrophobicContact CG1-CD1 4.01Å; I86-L89 HydrophobicContact CG2-CB 3.85Å; I86-L89 HydrophobicContact CG2-CD2 4.14Å; I86-L94 HydrophobicContact CG1-CD2 4.34Å; I86-F122 HydrophobicContact CG2-CE1 3.88Å; I86-F122 HydrophobicContact CG2-CZ 4.15Å
87	H	88.5	Confident	89.8	Confident	149 Å²	149	54.2 Å²	54.2	69%	0.69	32%	0.324	S	S	*	.			trans	-93.5	143	177	-61.3	-75.4	0	0	0	110.4
88	G	81.8	Confident	90.6	Very high	68 Å²	68	51.5 Å²	51.5	70%	0.701	30%	0.301	S	S	*	.	S	Bend	trans	79.9	12.6	176.3	0	0	0	0	0	115.6
89	L	89.3	Confident	91.3	Very high	4 Å²	4	50 Å²	50	2%	0.021	30%	0.299	C	S	.	.	S	Bend	trans	-127	118.5	176.1	-178.3	61	0	0	0	110.5	I86 A91 A93 L94 F122 L123	I86-L89 HydrophobicContact CG2-CB 3.85Å; I86-L89 HydrophobicContact CG2-CD2 4.14Å; L89-A91 PolarHBondContact O-N 3.3Å; L89-A93 HydrophobicContact CD1-CB 4.07Å; L89-L94 HydrophobicContact CD2-CB 3.87Å; L89-L94 HydrophobicContact CD2-CD1 3.9Å; L89-L94 HydrophobicContact CD2-CG 4.37Å; L89-L94 HydrophobicContact CG-CB 4.15Å; L89-F122 HydrophobicContact CD2-CD1 4.38Å; L89-L123 HydrophobicContact CD2-CD1 4.19Å; L89-L123 HydrophobicContact CD2-CD2 4.35Å; L89-L123 HydrophobicContact CD2-CG 4.32Å
90	D	88.8	Confident	91.9	Very high	68 Å²	68	51 Å²	51	36%	0.364	30%	0.298	S	S	.	.			trans	-51.4	131.7	173.9	165.9	75.3	0	0	0	111.8	D50 C92 A93 L94	D50-D90 WeakPolarHBondContact OD2-CA 3.32Å; D90-C92 VanDerWaalsContact C-N 3.29Å; D90-C92 PolarHBondContact O-N 3.07Å; D90-C92 WeakPolarHBondContact OD2-CB 3.39Å; D90-C92 PolarHBondContact OD2-N 3.01Å; D90-A93 HydrophobicContact CB-CB 4.15Å; D90-A93 WeakPolarHBondContact O-CB 3.23Å; D90-A93 PolarHBondContact O-N 3.24Å; D90-A93 VanDerWaalsContact O-N 3.13Å; D90-A93 PolarHBondContact OD2-N 3.44Å; D90-L94 PolarHBondContact O-N 3.06Å
91	A	93.5	Very high	92.5	Very high	5 Å²	5	45.3 Å²	45.3	4%	0.041	26%	0.263	C	S	.	.	H	α-helix	trans	-59.4	-35.2	-176.5	0	0	0	0	0	113.8	A49 D50 N52 F54 L89 L94 E95	A49-A91 HydrophobicContact CB-CB 4.28Å; D50-A91 HydrophobicContact CB-CB 4.01Å; D50-A91 PolarHBondContact OD2-N 2.82Å; N52-A91 HydrophobicContact CB-CB 4.11Å; N52-A91 WeakPolarHBondContact ND2-CB 3.33Å; F54-A91 HydrophobicContact CE2-CB 4.3Å; F54-A91 HydrophobicContact CZ-CB 4.18Å; F54-A91 WeakPolarHBondContact CZ-O 3.42Å; L89-A91 PolarHBondContact O-N 3.3Å; A91-L94 PolarHBondContact O-N 2.93Å; A91-E95 PolarHBondContact O-N 2.9Å
92	C	93.3	Very high	92.8	Very high	88 Å²	88	41.1 Å²	41.1	60%	0.595	25%	0.245	S	C	*	.	H	α-helix	trans	-71	-37.6	176.6	-68.5	0	0	0	0	111.9	D90 A96	D90-C92 VanDerWaalsContact C-N 3.29Å; D90-C92 PolarHBondContact O-N 3.07Å; D90-C92 WeakPolarHBondContact OD2-CB 3.39Å; D90-C92 PolarHBondContact OD2-N 3.01Å; C92-A96 WeakPolarHBondContact O-CB 3.33Å; C92-A96 PolarHBondContact O-N 3.19Å
93	A	94.6	Very high	93	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-63.7	-44.5	170.5	0	0	0	0	0	111.3	L89 D90 E95 A96 F97 I116	L89-A93 HydrophobicContact CD1-CB 4.07Å; D90-A93 HydrophobicContact CB-CB 4.15Å; D90-A93 WeakPolarHBondContact O-CB 3.23Å; D90-A93 PolarHBondContact O-N 3.24Å; D90-A93 VanDerWaalsContact O-N 3.13Å; D90-A93 PolarHBondContact OD2-N 3.44Å; A93-E95 PolarHBondContact O-N 2.85Å; A93-A96 PolarHBondContact O-N 3.4Å; A93-F97 HydrophobicContact CB-CE2 4.38Å; A93-F97 WeakPolarHBondContact O-CD2 3.42Å; A93-F97 PolarHBondContact O-N 3.13Å; A93-I116 HydrophobicContact CB-CD1 4.34Å
94	L	95.7	Very high	93	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-60	-45.3	175.6	178.5	58.2	0	0	0	111.7	L47 A49 F54 F68 I86 L89 D90 A91 A96 F97 I98	L47-L94 HydrophobicContact CB-CD2 4.19Å; L47-L94 HydrophobicContact CD1-CD1 4.17Å; A49-L94 HydrophobicContact CB-CD2 3.61Å; F54-L94 HydrophobicContact CD2-CD2 3.88Å; F54-L94 HydrophobicContact CD2-CG 4.3Å; F54-L94 HydrophobicContact CE2-CD2 4.08Å; F54-L94 HydrophobicContact CE2-CG 4.43Å; F68-L94 HydrophobicContact CZ-CD1 4.21Å; I86-L94 HydrophobicContact CG1-CD2 4.34Å; L89-L94 HydrophobicContact CD2-CB 3.87Å; L89-L94 HydrophobicContact CD2-CD1 3.9Å; L89-L94 HydrophobicContact CD2-CG 4.37Å; L89-L94 HydrophobicContact CG-CB 4.15Å; D90-L94 PolarHBondContact O-N 3.06Å; A91-L94 PolarHBondContact O-N 2.93Å; L94-A96 VanDerWaalsContact C-N 3.33Å; L94-A96 PolarHBondContact O-N 2.88Å; L94-F97 PolarHBondContact O-N 2.82Å; L94-I98 HydrophobicContact CD1-CD1 4Å; L94-I98 HydrophobicContact CD1-CG1 4.1Å; L94-I98 HydrophobicContact CG-CD1 3.92Å; L94-I98 HydrophobicContact CG-CG1 4.44Å; L94-I98 VanDerWaalsContact O-CG1 3.31Å; L94-I98 WeakPolarHBondContact O-CG1 3.38Å; L94-I98 PolarHBondContact O-N 2.95Å
95	E	94.9	Very high	93	Very high	114 Å²	114	44.4 Å²	44.4	53%	0.533	27%	0.273	S	S	.	.	H	α-helix	trans	-58.2	-45.9	175.2	-172	178	-162.2	0	0	111.5	F54 A91 A93 F97 I98 G99	F54-E95 HydrophobicContact CD1-CB 4.31Å; F54-E95 HydrophobicContact CD1-CG 4.35Å; F54-E95 HydrophobicContact CE1-CB 3.66Å; F54-E95 HydrophobicContact CE1-CG 3.93Å; F54-E95 HydrophobicContact CZ-CB 4.12Å; A91-E95 PolarHBondContact O-N 2.9Å; A93-E95 PolarHBondContact O-N 2.85Å; E95-F97 VanDerWaalsContact C-N 3.32Å; E95-F97 PolarHBondContact O-N 3.42Å; E95-I98 PolarHBondContact O-N 3.3Å; E95-G99 PolarHBondContact O-N 3.48Å
96	A	95.4	Very high	93.1	Very high	31 Å²	31	42.8 Å²	42.8	26%	0.256	26%	0.263	S	S	.	.	H	α-helix	trans	-61.3	-38.8	177.2	0	0	0	0	0	112.3	C92 A93 L94 G99 Y100 I116	C92-A96 WeakPolarHBondContact O-CB 3.33Å; C92-A96 PolarHBondContact O-N 3.19Å; A93-A96 PolarHBondContact O-N 3.4Å; L94-A96 VanDerWaalsContact C-N 3.33Å; L94-A96 PolarHBondContact O-N 2.88Å; A96-G99 PolarHBondContact O-N 2.98Å; A96-Y100 WeakPolarHBondContact O-CB 3.2Å; A96-Y100 PolarHBondContact O-N 3.04Å; A96-I116 HydrophobicContact CB-CD1 3.7Å
97	F	96.8	Very high	93.2	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-74.3	-32.9	176.7	-72.7	-59.5	0	0	0	113.8	I65 A93 L94 E95 Y100 A101 I116 G119 A120 L123 L125 V128	I65-F97 HydrophobicContact CD1-CB 4.45Å; A93-F97 HydrophobicContact CB-CE2 4.38Å; A93-F97 WeakPolarHBondContact O-CD2 3.42Å; A93-F97 PolarHBondContact O-N 3.13Å; L94-F97 PolarHBondContact O-N 2.82Å; E95-F97 VanDerWaalsContact C-N 3.32Å; E95-F97 PolarHBondContact O-N 3.42Å; F97-Y100 PolarHBondContact O-N 2.9Å; F97-A101 PolarHBondContact O-N 2.91Å; F97-I116 HydrophobicContact CE2-CD1 4.32Å; F97-I116 HydrophobicContact CZ-CD1 4.46Å; F97-I116 HydrophobicContact CZ-CG2 3.8Å; F97-I116 WeakPolarHBondContact CZ-O 3.43Å; F97-G119 VanDerWaalsContact CE2-C 3.46Å; F97-A120 HydrophobicContact CE1-CB 4.28Å; F97-A120 HydrophobicContact CZ-CB 3.8Å; F97-L123 HydrophobicContact CB-CD1 3.53Å; F97-L123 HydrophobicContact CD1-CD1 4.32Å; F97-L123 HydrophobicContact CD2-CD1 3.59Å; F97-L123 HydrophobicContact CE2-CD1 4.45Å; F97-L123 HydrophobicContact CG-CD1 3.54Å; F97-L125 HydrophobicContact CD1-CD1 3.33Å; F97-L125 HydrophobicContact CE1-CD1 3.58Å; F97-L125 HydrophobicContact CG-CD1 4.18Å; F97-V128 HydrophobicContact CE1-CB 4.46Å; F97-V128 HydrophobicContact CE1-CG1 4.03Å; F97-V128 HydrophobicContact CZ-CG1 4.31Å
98	I	95.9	Very high	93.5	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-64.5	-43.6	168.3	-65.3	167.7	0	0	0	109.4	L47 F54 L61 L94 E95 Y100 A101 Y102	L47-I98 HydrophobicContact CD1-CD1 4.04Å; L47-I98 HydrophobicContact CD1-CG1 4.42Å; F54-I98 HydrophobicContact CB-CD1 3.45Å; F54-I98 VanDerWaalsContact CB-CD1 3.45Å; F54-I98 HydrophobicContact CD1-CD1 4.49Å; F54-I98 HydrophobicContact CD2-CD1 4.41Å; F54-I98 HydrophobicContact CG-CD1 3.9Å; L61-I98 HydrophobicContact CD2-CG1 4.46Å; L94-I98 HydrophobicContact CD1-CD1 4Å; L94-I98 HydrophobicContact CD1-CG1 4.1Å; L94-I98 HydrophobicContact CG-CD1 3.92Å; L94-I98 HydrophobicContact CG-CG1 4.44Å; L94-I98 VanDerWaalsContact O-CG1 3.31Å; L94-I98 WeakPolarHBondContact O-CG1 3.38Å; L94-I98 PolarHBondContact O-N 2.95Å; E95-I98 PolarHBondContact O-N 3.3Å; I98-Y100 PolarHBondContact O-N 3.19Å; I98-A101 WeakPolarHBondContact O-CB 3.48Å; I98-A101 PolarHBondContact O-N 3.16Å; I98-Y102 VanDerWaalsContact O-CD2 3.27Å; I98-Y102 WeakPolarHBondContact O-CD2 3.24Å
99	G	94.8	Very high	94	Very high	16 Å²	16	43.1 Å²	43.1	17%	0.165	25%	0.248	C	C	.	.	H	α-helix	trans	-59.6	-43.5	173	0	0	0	0	0	112.8	E95 A96 A101 Y102 T103	E95-G99 PolarHBondContact O-N 3.48Å; A96-G99 PolarHBondContact O-N 2.98Å; G99-A101 PolarHBondContact O-N 2.88Å; G99-Y102 PolarHBondContact O-N 3.06Å; G99-T103 WeakPolarHBondContact O-CB 3.49Å; G99-T103 WeakPolarHBondContact O-CG2 3.22Å; G99-T103 PolarHBondContact O-N 3.1Å; G99-T103 PolarHBondContact O-OG1 3.29Å
100	Y	96	Very high	93.9	Very high	54 Å²	54	44.1 Å²	44.1	21%	0.212	26%	0.255	C	S	.	.	H	α-helix	trans	-61	-40.5	176.7	173.8	-98.2	0	0	0	112.6	A96 F97 I98 Y102 T103 G104 L105 V106 L125 V128	A96-Y100 WeakPolarHBondContact O-CB 3.2Å; A96-Y100 PolarHBondContact O-N 3.04Å; F97-Y100 PolarHBondContact O-N 2.9Å; I98-Y100 PolarHBondContact O-N 3.19Å; Y100-Y102 PolarHBondContact O-N 2.92Å; Y100-Y102 VanDerWaalsContact O-N 3.16Å; Y100-T103 PolarHBondContact O-N 2.87Å; Y100-G104 WeakPolarHBondContact O-CA 3.18Å; Y100-G104 PolarHBondContact O-N 3.21Å; Y100-L105 WeakPolarHBondContact CA-O 3.37Å; Y100-V106 HydrophobicContact CD2-CB 4.05Å; Y100-V106 HydrophobicContact CD2-CG1 4.09Å; Y100-V106 HydrophobicContact CE2-CG1 4.43Å; Y100-L125 HydrophobicContact CD1-CD1 4.24Å; Y100-L125 HydrophobicContact CE1-CD1 4.22Å; Y100-L125 HydrophobicContact CE1-CD2 4.31Å; Y100-V128 HydrophobicContact CE1-CG2 4.41Å; Y100-V128 HydrophobicContact CE2-CG2 4.09Å
101	A	95.9	Very high	93.9	Very high	3 Å²	3	49.4 Å²	49.4	3%	0.025	27%	0.27	C	S	.	.	H	α-helix	trans	-57.9	-27.9	176.4	0	0	0	0	0	113.7	L61 T64 I65 F97 I98 G99	L61-A101 HydrophobicContact CD2-CB 3.92Å; T64-A101 VanDerWaalsContact OG1-CB 3.29Å; T64-A101 WeakPolarHBondContact OG1-CB 3.01Å; I65-A101 HydrophobicContact CD1-CB 4.02Å; I65-A101 HydrophobicContact CG1-CB 4.39Å; F97-A101 PolarHBondContact O-N 2.91Å; I98-A101 WeakPolarHBondContact O-CB 3.48Å; I98-A101 PolarHBondContact O-N 3.16Å; G99-A101 PolarHBondContact O-N 2.88Å
102	Y	95.6	Very high	93.9	Very high	3 Å²	3	50.8 Å²	50.8	1%	0.012	28%	0.277	C	S	.	.	H	α-helix	trans	-101.7	-23.9	-179.7	-72.6	-104	0	0	0	113.8	F30 L33 D34 R37 H57 V60 I98 G99 Y100	F30-Y102 WeakPolarHBondContact CB-O 3.24Å; L33-Y102 HydrophobicContact CB-CD1 3.82Å; L33-Y102 HydrophobicContact CB-CE1 3.89Å; L33-Y102 WeakPolarHBondContact O-CE1 3.48Å; D34-Y102 HydrophobicContact CB-CD1 4.19Å; D34-Y102 HydrophobicContact CB-CG 4.33Å; D34-Y102 WeakPolarHBondContact OD1-CB 3.31Å; R37-Y102 HydrophobicContact CB-CE1 4.08Å; R37-Y102 VanDerWaalsContact CD-CE2 3.49Å; H57-Y102 VanDerWaalsContact CB-OH 3.24Å; H57-Y102 WeakPolarHBondContact CB-OH 3.39Å; H57-Y102 PolarHBondContact N-OH 3.08Å; H57-Y102 AromaticContact ND1-CE1 3.92Å; H57-Y102 AromaticContact ND1-CZ 3.8Å; H57-Y102 PolarHBondContact ND1-OH 2.8Å; V60-Y102 HydrophobicContact CB-CE1 4.01Å; V60-Y102 HydrophobicContact CB-CE2 4.04Å; V60-Y102 HydrophobicContact CG1-CD1 4Å; V60-Y102 HydrophobicContact CG1-CD2 3.88Å; V60-Y102 HydrophobicContact CG1-CE1 3.79Å; V60-Y102 HydrophobicContact CG1-CE2 3.63Å; V60-Y102 HydrophobicContact CG1-CG 4.06Å; V60-Y102 HydrophobicContact CG2-CE1 3.83Å; I98-Y102 VanDerWaalsContact O-CD2 3.27Å; I98-Y102 WeakPolarHBondContact O-CD2 3.24Å; G99-Y102 PolarHBondContact O-N 3.06Å; Y100-Y102 PolarHBondContact O-N 2.92Å; Y100-Y102 VanDerWaalsContact O-N 3.16Å
103	T	92.9	Very high	93.9	Very high	63 Å²	63	46.6 Å²	46.6	39%	0.387	25%	0.248	S	C	.	.	H	α-helix	trans	-114.6	-19.3	-172	62.5	0	0	0	0	114.4	G99 Y100 L105	G99-T103 WeakPolarHBondContact O-CB 3.49Å; G99-T103 WeakPolarHBondContact O-CG2 3.22Å; G99-T103 PolarHBondContact O-N 3.1Å; G99-T103 PolarHBondContact O-OG1 3.29Å; Y100-T103 PolarHBondContact O-N 2.87Å; T103-L105 PolarHBondContact O-N 3.17Å; T103-L105 PolarHBondContact OG1-N 3.02Å
104	G	92	Very high	93.7	Very high	53 Å²	53	47.4 Å²	47.4	55%	0.546	25%	0.252	S	S	.	.	S	Bend	trans	68.8	9.4	-167.9	0	0	0	0	0	114.2	Y100	Y100-G104 WeakPolarHBondContact O-CA 3.18Å; Y100-G104 PolarHBondContact O-N 3.21Å
105	L	93.6	Very high	93.5	Very high	132 Å²	132	48.8 Å²	48.8	69%	0.691	26%	0.262	S	S	*	.			trans	-115	134.3	-175.2	-61.6	175.4	0	0	0	111.3	Y100 T103	Y100-L105 WeakPolarHBondContact CA-O 3.37Å; T103-L105 PolarHBondContact O-N 3.17Å; T103-L105 PolarHBondContact OG1-N 3.02Å
106	V	94.9	Very high	93.6	Very high	39 Å²	39	43.5 Å²	43.5	24%	0.236	24%	0.237	C	C	.	.			trans	-136.8	130.3	170	60.7	0	0	0	0	108.2	Y100 I116 V128	Y100-V106 HydrophobicContact CD2-CB 4.05Å; Y100-V106 HydrophobicContact CD2-CG1 4.09Å; Y100-V106 HydrophobicContact CE2-CG1 4.43Å; V106-I116 HydrophobicContact CG2-CD1 4.19Å; V106-I116 HydrophobicContact CG2-CG2 4.04Å; V106-V128 HydrophobicContact CG1-CG1 3.93Å; V106-V128 HydrophobicContact CG1-CG2 4.13Å
107	Q	93.6	Very high	93.5	Very high	154 Å²	154	42 Å²	42	72%	0.72	23%	0.225	S	C	*	.			trans	-93	121.3	-179.7	-175.7	177.9	-6.4	0	0	109.6	N112	Q107-N112 PolarHBondContact O-ND2 3Å
108	I	93.8	Very high	93.3	Very high	35 Å²	35	43.5 Å²	43.5	18%	0.179	23%	0.232	C	C	.	.			trans	-109.2	128.4	-179.9	-60.5	167.2	0	0	0	108.9	V113 I116 I131 Y135	I108-V113 HydrophobicContact CG2-CB 3.72Å; I108-V113 HydrophobicContact CG2-CG2 3.55Å; I108-I116 HydrophobicContact CG1-CG2 4.39Å; I108-I131 HydrophobicContact CD1-CB 4.34Å; I108-I131 HydrophobicContact CD1-CG2 3.63Å; I108-Y135 HydrophobicContact CG2-CD1 4.1Å; I108-Y135 HydrophobicContact CG2-CD2 4.12Å; I108-Y135 HydrophobicContact CG2-CE1 4.48Å; I108-Y135 HydrophobicContact CG2-CE2 4.48Å; I108-Y135 HydrophobicContact CG2-CG 3.91Å
109	N	92.3	Very high	93.1	Very high	44 Å²	44	43.5 Å²	43.5	24%	0.235	23%	0.232	C	C	.	.			trans	-147.7	170.2	-179.4	69.4	62.3	0	0	0	110.7	R111 N112 V113	N109-R111 PolarHBondContact O-N 3.21Å; N109-R111 VanDerWaalsContact O-N 3.1Å; N109-R111 WeakPolarHBondContact OD1-CA 3.32Å; N109-R111 WeakPolarHBondContact OD1-CB 3.17Å; N109-R111 PolarHBondContact OD1-N 2.7Å; N109-N112 VanDerWaalsContact CG-OD1 3.3Å; N109-N112 PolarHBondContact N-OD1 3.49Å; N109-N112 PolarHBondContact ND2-ND2 2.93Å; N109-N112 PolarHBondContact ND2-OD1 3.18Å; N109-N112 PolarHBondContact O-N 3.45Å; N109-N112 PolarHBondContact O-OD1 3.19Å; N109-N112 PolarHBondContact OD1-N 2.69Å; N109-N112 VanDerWaalsContact OD1-N 3.14Å; N109-N112 PolarHBondContact OD1-OD1 3.24Å; N109-V113 WeakPolarHBondContact O-CB 3.4Å; N109-V113 WeakPolarHBondContact O-CG1 3.44Å; N109-V113 PolarHBondContact O-N 3.25Å
110	P	88	Confident	93.1	Very high	24 Å²	24	42.8 Å²	42.8	16%	0.156	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-24.1	-174.9	-25.4	37.4	0	0	0	114.6	Y135 L239 E241	P110-Y135 VanDerWaalsContact CD-OH 3.26Å; P110-Y135 WeakPolarHBondContact CD-OH 3.27Å; P110-L239 HydrophobicContact CB-CB 3.74Å; P110-L239 WeakPolarHBondContact CB-O 3.49Å; P110-E241 HydrophobicContact CB-CG 4.47Å; P110-E241 HydrophobicContact CG-CG 4.38Å
111	R	89	Confident	93	Very high	180 Å²	180	42.2 Å²	42.2	68%	0.679	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.9	-25.2	-176.6	-52.7	-177.5	-171.6	178.5	1.7	113.6	N109 E241	N109-R111 PolarHBondContact O-N 3.21Å; N109-R111 VanDerWaalsContact O-N 3.1Å; N109-R111 WeakPolarHBondContact OD1-CA 3.32Å; N109-R111 WeakPolarHBondContact OD1-CB 3.17Å; N109-R111 PolarHBondContact OD1-N 2.7Å; R111-E241 IonicContact CZ-OE1 3.03Å; R111-E241 IonicContact NE-OE1 2.7Å; R111-E241 PolarHBondContact NE-OE1 3.36Å; R111-E241 IonicContact NH2-OE1 3.22Å; R111-E241 PolarHBondContact NH2-OE1 2.67Å; R111-E241 IonicContact NH2-OE2 3.83Å
112	N	92.4	Very high	92.8	Very high	34 Å²	34	45.5 Å²	45.5	18%	0.182	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.6	-13.5	-176.1	78.6	-11.2	0	0	0	114.8	Q107 N109 Q114 S115 I116	Q107-N112 PolarHBondContact O-ND2 3Å; N109-N112 VanDerWaalsContact CG-OD1 3.3Å; N109-N112 PolarHBondContact N-OD1 3.49Å; N109-N112 PolarHBondContact ND2-ND2 2.93Å; N109-N112 PolarHBondContact ND2-OD1 3.18Å; N109-N112 PolarHBondContact O-N 3.45Å; N109-N112 PolarHBondContact O-OD1 3.19Å; N109-N112 PolarHBondContact OD1-N 2.69Å; N109-N112 VanDerWaalsContact OD1-N 3.14Å; N109-N112 PolarHBondContact OD1-OD1 3.24Å; N112-Q114 PolarHBondContact O-N 2.82Å; N112-Q114 VanDerWaalsContact O-N 3.1Å; N112-S115 PolarHBondContact O-N 3.3Å; N112-S115 VanDerWaalsContact O-N 3.1Å; N112-S115 PolarHBondContact O-OG 3.44Å; N112-I116 HydrophobicContact CB-CG1 4.26Å; N112-I116 VanDerWaalsContact O-CG1 3.3Å; N112-I116 WeakPolarHBondContact O-CG1 3.23Å; N112-I116 PolarHBondContact O-N 2.98Å
113	V	93.4	Very high	92.7	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-59.2	-29	-174.7	64.7	0	0	0	0	113.2	I108 N109 L117 C132 Y135 I136 L239	I108-V113 HydrophobicContact CG2-CB 3.72Å; I108-V113 HydrophobicContact CG2-CG2 3.55Å; N109-V113 WeakPolarHBondContact O-CB 3.4Å; N109-V113 WeakPolarHBondContact O-CG1 3.44Å; N109-V113 PolarHBondContact O-N 3.25Å; V113-L117 WeakPolarHBondContact O-CB 3.47Å; V113-L117 PolarHBondContact O-N 2.91Å; V113-C132 HydrophobicContact CG2-CB 3.83Å; V113-Y135 HydrophobicContact CB-CD1 4.21Å; V113-Y135 HydrophobicContact CG1-CD1 4.17Å; V113-Y135 HydrophobicContact CG1-CE1 4.32Å; V113-Y135 HydrophobicContact CG2-CD1 3.96Å; V113-I136 HydrophobicContact CG1-CG1 4.18Å; V113-I136 HydrophobicContact CG2-CD1 4.09Å; V113-I136 HydrophobicContact CG2-CG1 3.94Å; V113-L239 HydrophobicContact CG1-CD1 3.21Å
114	Q	90.5	Very high	92.8	Very high	17 Å²	17	47.8 Å²	47.8	8%	0.079	25%	0.245	C	C	.	.	H	α-helix	trans	-66.3	-51.3	174	-171.4	171.1	3.1	0	0	111.8	N112 L117 I118 L151	N112-Q114 PolarHBondContact O-N 2.82Å; N112-Q114 VanDerWaalsContact O-N 3.1Å; Q114-L117 PolarHBondContact O-N 3.43Å; Q114-I118 HydrophobicContact CG-CD1 4.15Å; Q114-I118 WeakPolarHBondContact O-CD1 3.38Å; Q114-I118 VanDerWaalsContact O-CG1 3.22Å; Q114-I118 WeakPolarHBondContact O-CG1 3.44Å; Q114-I118 PolarHBondContact O-N 3.42Å; Q114-L151 HydrophobicContact CG-CD2 3.96Å
115	S	92.7	Very high	92.9	Very high	29 Å²	29	45.9 Å²	45.9	20%	0.203	22%	0.223	C	C	.	.	H	α-helix	trans	-69.3	-34.3	178.8	64.5	0	0	0	0	112.6	N112 G119	N112-S115 PolarHBondContact O-N 3.3Å; N112-S115 VanDerWaalsContact O-N 3.1Å; N112-S115 PolarHBondContact O-OG 3.44Å; S115-G119 PolarHBondContact O-N 2.95Å
116	I	95.2	Very high	92.8	Very high	2 Å²	2	43.3 Å²	43.3	1%	0.01	21%	0.21	C	C	.	.	H	α-helix	trans	-67.3	-38.1	172.3	-60	-63.6	0	0	0	111.4	A93 A96 F97 V106 I108 N112 A120 V128	A93-I116 HydrophobicContact CB-CD1 4.34Å; A96-I116 HydrophobicContact CB-CD1 3.7Å; F97-I116 HydrophobicContact CE2-CD1 4.32Å; F97-I116 HydrophobicContact CZ-CD1 4.46Å; F97-I116 HydrophobicContact CZ-CG2 3.8Å; F97-I116 WeakPolarHBondContact CZ-O 3.43Å; V106-I116 HydrophobicContact CG2-CD1 4.19Å; V106-I116 HydrophobicContact CG2-CG2 4.04Å; I108-I116 HydrophobicContact CG1-CG2 4.39Å; N112-I116 HydrophobicContact CB-CG1 4.26Å; N112-I116 VanDerWaalsContact O-CG1 3.3Å; N112-I116 WeakPolarHBondContact O-CG1 3.23Å; N112-I116 PolarHBondContact O-N 2.98Å; I116-A120 WeakPolarHBondContact O-CB 3.48Å; I116-A120 PolarHBondContact O-N 3.18Å; I116-V128 HydrophobicContact CG2-CG1 3.87Å
117	L	93.6	Very high	92.8	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-63.9	-49.4	175.1	177.4	67.3	0	0	0	111.3	V113 Q114 G119 A120 N121 R129 C132 I136 L151 L160	V113-L117 WeakPolarHBondContact O-CB 3.47Å; V113-L117 PolarHBondContact O-N 2.91Å; Q114-L117 PolarHBondContact O-N 3.43Å; L117-G119 PolarHBondContact O-N 3.18Å; L117-A120 PolarHBondContact O-N 3.4Å; L117-N121 PolarHBondContact O-N 3.39Å; L117-R129 HydrophobicContact CD1-CG 3.67Å; L117-C132 HydrophobicContact CB-CB 3.98Å; L117-C132 HydrophobicContact CD1-CB 3.78Å; L117-C132 HydrophobicContact CG-CB 4.45Å; L117-I136 HydrophobicContact CD2-CD1 3.88Å; L117-L151 HydrophobicContact CD2-CD2 4.41Å; L117-L160 HydrophobicContact CD2-CD2 4.28Å
118	I	92.2	Very high	92.8	Very high	32 Å²	32	40.2 Å²	40.2	16%	0.164	20%	0.197	C	C	.	.	H	α-helix	trans	-57.1	-50.9	177.7	-65.6	166.7	0	0	0	109.6	Q114 N121 F122 F155	Q114-I118 HydrophobicContact CG-CD1 4.15Å; Q114-I118 WeakPolarHBondContact O-CD1 3.38Å; Q114-I118 VanDerWaalsContact O-CG1 3.22Å; Q114-I118 WeakPolarHBondContact O-CG1 3.44Å; Q114-I118 PolarHBondContact O-N 3.42Å; I118-N121 PolarHBondContact O-N 3.39Å; I118-F122 WeakPolarHBondContact O-CB 3.4Å; I118-F122 PolarHBondContact O-N 2.75Å; I118-F155 HydrophobicContact CB-CZ 4.28Å; I118-F155 HydrophobicContact CD1-CE2 4.31Å; I118-F155 HydrophobicContact CD1-CZ 4.38Å; I118-F155 HydrophobicContact CG1-CD2 4.33Å; I118-F155 HydrophobicContact CG1-CE1 4.44Å; I118-F155 HydrophobicContact CG1-CE2 3.63Å; I118-F155 HydrophobicContact CG1-CZ 3.69Å; I118-F155 HydrophobicContact CG2-CE1 4.13Å; I118-F155 HydrophobicContact CG2-CZ 3.93Å
119	G	93.5	Very high	92.8	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-67.9	-35	-180	0	0	0	0	0	114.3	F97 S115 L117 N121 F122 L123	F97-G119 VanDerWaalsContact CE2-C 3.46Å; S115-G119 PolarHBondContact O-N 2.95Å; L117-G119 PolarHBondContact O-N 3.18Å; G119-N121 VanDerWaalsContact C-N 3.32Å; G119-N121 PolarHBondContact O-N 2.99Å; G119-F122 PolarHBondContact O-N 3Å; G119-L123 VanDerWaalsContact O-CB 3.27Å; G119-L123 WeakPolarHBondContact O-CB 3.47Å; G119-L123 VanDerWaalsContact O-CG 3.32Å; G119-L123 WeakPolarHBondContact O-CG 3.44Å; G119-L123 PolarHBondContact O-N 3.46Å
120	A	94.7	Very high	92.8	Very high	0 Å²	0	42 Å²	42	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-64.7	-38.4	173.4	0	0	0	0	0	111.3	F97 I116 L117 Q124 L125 V128 R129	F97-A120 HydrophobicContact CE1-CB 4.28Å; F97-A120 HydrophobicContact CZ-CB 3.8Å; I116-A120 WeakPolarHBondContact O-CB 3.48Å; I116-A120 PolarHBondContact O-N 3.18Å; L117-A120 PolarHBondContact O-N 3.4Å; A120-Q124 CarbonylContact O-C 3.56Å; A120-Q124 PolarHBondContact O-N 3.23Å; A120-Q124 VanDerWaalsContact O-N 3.15Å; A120-L125 HydrophobicContact CB-CB 4.33Å; A120-L125 PolarHBondContact O-N 3.46Å; A120-V128 HydrophobicContact CB-CB 4Å; A120-V128 HydrophobicContact CB-CG1 4.01Å; A120-R129 HydrophobicContact CB-CB 4.05Å
121	N	92.5	Very high	93.1	Very high	42 Å²	42	45.6 Å²	45.6	23%	0.225	22%	0.22	C	C	.	.	H	α-helix	trans	-69.9	-46.2	175.5	-164.9	68	0	0	0	111.6	L117 I118 G119 L123 Q124 R129 F155	L117-N121 PolarHBondContact O-N 3.39Å; I118-N121 PolarHBondContact O-N 3.39Å; G119-N121 VanDerWaalsContact C-N 3.32Å; G119-N121 PolarHBondContact O-N 2.99Å; N121-L123 PolarHBondContact O-N 3.44Å; N121-Q124 PolarHBondContact O-N 3.4Å; N121-Q124 VanDerWaalsContact O-N 3.14Å; N121-R129 VanDerWaalsContact OD1-CD 3.25Å; N121-R129 WeakPolarHBondContact OD1-CD 3.28Å; N121-R129 PolarHBondContact OD1-NH1 3.3Å; N121-F155 HydrophobicContact CB-CD1 4.33Å
122	F	93	Very high	93.4	Very high	73 Å²	73	37 Å²	37	32%	0.32	19%	0.188	S	C	.	.	H	α-helix	trans	-57.2	-44.9	176.6	-174.3	-86.2	0	0	0	112.4	F67 I86 L89 I118 G119 Q124	F67-F122 HydrophobicContact CD2-CE1 4.29Å; F67-F122 HydrophobicContact CE1-CE1 4.08Å; F67-F122 HydrophobicContact CE2-CD1 4.4Å; F67-F122 AromaticContact CE2-CE1 3.72Å; F67-F122 HydrophobicContact CE2-CE1 3.72Å; F67-F122 HydrophobicContact CE2-CZ 4.1Å; F67-F122 AromaticContact CZ-CE1 3.6Å; F67-F122 HydrophobicContact CZ-CE1 3.6Å; F67-F122 HydrophobicContact CZ-CZ 4.05Å; I86-F122 HydrophobicContact CG2-CE1 3.88Å; I86-F122 HydrophobicContact CG2-CZ 4.15Å; L89-F122 HydrophobicContact CD2-CD1 4.38Å; I118-F122 WeakPolarHBondContact O-CB 3.4Å; I118-F122 PolarHBondContact O-N 2.75Å; G119-F122 PolarHBondContact O-N 3Å; F122-Q124 VanDerWaalsContact C-N 3.29Å; F122-Q124 PolarHBondContact O-N 3.42Å
123	L	93.6	Very high	93.4	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.5	2.8	180	-62.5	176.3	0	0	0	114.1	I65 F67 F68 L89 F97 G119 N121 L125	I65-L123 HydrophobicContact CG2-CB 3.87Å; I65-L123 HydrophobicContact CG2-CD2 4.27Å; I65-L123 HydrophobicContact CG2-CG 4.46Å; F67-L123 HydrophobicContact CB-CB 4.43Å; F67-L123 HydrophobicContact CB-CD2 3.94Å; F67-L123 HydrophobicContact CD1-CD2 3.57Å; F67-L123 HydrophobicContact CE1-CD2 4.26Å; F67-L123 HydrophobicContact CG-CD2 3.85Å; F68-L123 HydrophobicContact CE2-CD2 3.97Å; F68-L123 HydrophobicContact CZ-CD2 4.13Å; L89-L123 HydrophobicContact CD2-CD1 4.19Å; L89-L123 HydrophobicContact CD2-CD2 4.35Å; L89-L123 HydrophobicContact CD2-CG 4.32Å; F97-L123 HydrophobicContact CB-CD1 3.53Å; F97-L123 HydrophobicContact CD1-CD1 4.32Å; F97-L123 HydrophobicContact CD2-CD1 3.59Å; F97-L123 HydrophobicContact CE2-CD1 4.45Å; F97-L123 HydrophobicContact CG-CD1 3.54Å; G119-L123 VanDerWaalsContact O-CB 3.27Å; G119-L123 WeakPolarHBondContact O-CB 3.47Å; G119-L123 VanDerWaalsContact O-CG 3.32Å; G119-L123 WeakPolarHBondContact O-CG 3.44Å; G119-L123 PolarHBondContact O-N 3.46Å; N121-L123 PolarHBondContact O-N 3.44Å; L123-L125 VanDerWaalsContact C-N 3.31Å; L123-L125 HydrophobicContact CB-CD1 4.13Å; L123-L125 HydrophobicContact CB-CG 4.11Å; L123-L125 HydrophobicContact CD1-CD1 4.48Å; L123-L125 PolarHBondContact O-N 3.43Å
124	Q	93.2	Very high	93.3	Very high	113 Å²	113	43.7 Å²	43.7	53%	0.528	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.4	29.9	-179.8	-52.5	178.3	7.9	0	0	114.8	P66 A120 N121 F122 N126	P66-Q124 HydrophobicContact CB-CB 4.18Å; P66-Q124 HydrophobicContact CG-CB 4.4Å; A120-Q124 CarbonylContact O-C 3.56Å; A120-Q124 PolarHBondContact O-N 3.23Å; A120-Q124 VanDerWaalsContact O-N 3.15Å; N121-Q124 PolarHBondContact O-N 3.4Å; N121-Q124 VanDerWaalsContact O-N 3.14Å; F122-Q124 VanDerWaalsContact C-N 3.29Å; F122-Q124 PolarHBondContact O-N 3.42Å; Q124-N126 VanDerWaalsContact C-N 3.34Å; Q124-N126 PolarHBondContact O-N 2.92Å; Q124-N126 VanDerWaalsContact O-N 3.11Å
125	L	94.5	Very high	93.5	Very high	13 Å²	13	45 Å²	45	7%	0.068	22%	0.215	C	C	.	.			trans	-86.7	68	179.4	-63.5	176.1	0	0	0	111.7	I65 F97 Y100 A120 L123 N127 V128 R129	I65-L125 HydrophobicContact CG1-CD1 4.43Å; I65-L125 HydrophobicContact CG1-CD2 4.3Å; I65-L125 HydrophobicContact CG2-CD2 4.4Å; F97-L125 HydrophobicContact CD1-CD1 3.33Å; F97-L125 HydrophobicContact CE1-CD1 3.58Å; F97-L125 HydrophobicContact CG-CD1 4.18Å; Y100-L125 HydrophobicContact CD1-CD1 4.24Å; Y100-L125 HydrophobicContact CE1-CD1 4.22Å; Y100-L125 HydrophobicContact CE1-CD2 4.31Å; A120-L125 HydrophobicContact CB-CB 4.33Å; A120-L125 PolarHBondContact O-N 3.46Å; L123-L125 VanDerWaalsContact C-N 3.31Å; L123-L125 HydrophobicContact CB-CD1 4.13Å; L123-L125 HydrophobicContact CB-CG 4.11Å; L123-L125 HydrophobicContact CD1-CD1 4.48Å; L123-L125 PolarHBondContact O-N 3.43Å; L125-N127 VanDerWaalsContact C-N 3.26Å; L125-N127 PolarHBondContact O-N 3.48Å; L125-N127 VanDerWaalsContact O-N 3.1Å; L125-V128 HydrophobicContact CB-CB 4.36Å; L125-V128 HydrophobicContact CB-CG2 4.37Å; L125-V128 PolarHBondContact O-N 2.93Å; L125-R129 PolarHBondContact O-N 3.11Å
126	N	92.8	Very high	93.5	Very high	78 Å²	78	43.6 Å²	43.6	42%	0.417	21%	0.205	S	C	.	.	H	α-helix	trans	-48.9	-39.9	-174.9	-68.4	-43.9	0	0	0	114.5	Q124 R129 N130	Q124-N126 VanDerWaalsContact C-N 3.34Å; Q124-N126 PolarHBondContact O-N 2.92Å; Q124-N126 VanDerWaalsContact O-N 3.11Å; N126-R129 PolarHBondContact O-N 3.42Å; N126-R129 VanDerWaalsContact OD1-CZ 3.29Å; N126-R129 PolarHBondContact OD1-NH1 3.29Å; N126-R129 PolarHBondContact OD1-NH2 2.97Å; N126-R129 VanDerWaalsContact OD1-NH2 3.15Å; N126-N130 WeakPolarHBondContact O-CB 3.26Å; N126-N130 PolarHBondContact O-N 3.42Å; N126-N130 PolarHBondContact O-OD1 2.96Å; N126-N130 VanDerWaalsContact O-OD1 3.08Å
127	N	93.3	Very high	93.3	Very high	124 Å²	124	45.5 Å²	45.5	66%	0.663	22%	0.219	S	C	*	.	H	α-helix	trans	-64	-43.1	178.8	-69.4	-13.4	0	0	0	112.3	L125 I131	L125-N127 VanDerWaalsContact C-N 3.26Å; L125-N127 PolarHBondContact O-N 3.48Å; L125-N127 VanDerWaalsContact O-N 3.1Å; N127-I131 VanDerWaalsContact O-CG1 3.29Å; N127-I131 WeakPolarHBondContact O-CG1 3.5Å; N127-I131 PolarHBondContact O-N 3.48Å; N127-I131 VanDerWaalsContact O-N 3.16Å
128	V	94.8	Very high	93.1	Very high	5 Å²	5	50.8 Å²	50.8	3%	0.03	24%	0.244	C	C	.	.	H	α-helix	trans	-69.3	-41.7	177.6	-177.4	0	0	0	0	110	F97 Y100 V106 I116 A120 L125 N130 I131 C132	F97-V128 HydrophobicContact CE1-CB 4.46Å; F97-V128 HydrophobicContact CE1-CG1 4.03Å; F97-V128 HydrophobicContact CZ-CG1 4.31Å; Y100-V128 HydrophobicContact CE1-CG2 4.41Å; Y100-V128 HydrophobicContact CE2-CG2 4.09Å; V106-V128 HydrophobicContact CG1-CG1 3.93Å; V106-V128 HydrophobicContact CG1-CG2 4.13Å; I116-V128 HydrophobicContact CG2-CG1 3.87Å; A120-V128 HydrophobicContact CB-CB 4Å; A120-V128 HydrophobicContact CB-CG1 4.01Å; L125-V128 HydrophobicContact CB-CB 4.36Å; L125-V128 HydrophobicContact CB-CG2 4.37Å; L125-V128 PolarHBondContact O-N 2.93Å; V128-N130 PolarHBondContact O-N 2.91Å; V128-I131 PolarHBondContact O-N 3.48Å; V128-C132 PolarHBondContact O-N 3.39Å; V128-C132 PolarHBondContact O-SG 2.73Å
129	R	93.8	Very high	92.9	Very high	54 Å²	54	52.6 Å²	52.6	20%	0.204	25%	0.248	C	C	.	.	H	α-helix	trans	-55.1	-50.8	174.9	-171	-173.6	67.2	-172.1	-1.4	111.3	L117 A120 N121 L125 N126 I131 C132 C133	L117-R129 HydrophobicContact CD1-CG 3.67Å; A120-R129 HydrophobicContact CB-CB 4.05Å; N121-R129 VanDerWaalsContact OD1-CD 3.25Å; N121-R129 WeakPolarHBondContact OD1-CD 3.28Å; N121-R129 PolarHBondContact OD1-NH1 3.3Å; L125-R129 PolarHBondContact O-N 3.11Å; N126-R129 PolarHBondContact O-N 3.42Å; N126-R129 VanDerWaalsContact OD1-CZ 3.29Å; N126-R129 PolarHBondContact OD1-NH1 3.29Å; N126-R129 PolarHBondContact OD1-NH2 2.97Å; N126-R129 VanDerWaalsContact OD1-NH2 3.15Å; R129-I131 VanDerWaalsContact C-N 3.34Å; R129-I131 PolarHBondContact O-N 2.9Å; R129-C132 WeakPolarHBondContact O-CB 3.41Å; R129-C132 PolarHBondContact O-N 2.64Å; R129-C132 VanDerWaalsContact O-N 3.14Å; R129-C133 PolarHBondContact O-N 2.93Å; R129-C133 PolarHBondContact O-SG 3.49Å
130	N	93	Very high	92.8	Very high	61 Å²	61	53.3 Å²	53.3	33%	0.326	25%	0.252	S	S	.	.	H	α-helix	trans	-64.8	-36.3	-178.7	-66.4	9.8	0	0	0	112.4	N126 V128 C133 R134	N126-N130 WeakPolarHBondContact O-CB 3.26Å; N126-N130 PolarHBondContact O-N 3.42Å; N126-N130 PolarHBondContact O-OD1 2.96Å; N126-N130 VanDerWaalsContact O-OD1 3.08Å; V128-N130 PolarHBondContact O-N 2.91Å; N130-C133 PolarHBondContact O-N 2.82Å; N130-R134 PolarHBondContact O-N 3.39Å
131	I	93.9	Very high	92.6	Very high	101 Å²	101	55.1 Å²	55.1	52%	0.518	26%	0.263	S	S	.	.	H	α-helix	trans	-66.1	-41	173.1	-65.9	166.3	0	0	0	110.9	I108 N127 V128 R129 R134 Y135	I108-I131 HydrophobicContact CD1-CB 4.34Å; I108-I131 HydrophobicContact CD1-CG2 3.63Å; N127-I131 VanDerWaalsContact O-CG1 3.29Å; N127-I131 WeakPolarHBondContact O-CG1 3.5Å; N127-I131 PolarHBondContact O-N 3.48Å; N127-I131 VanDerWaalsContact O-N 3.16Å; V128-I131 PolarHBondContact O-N 3.48Å; R129-I131 VanDerWaalsContact C-N 3.34Å; R129-I131 PolarHBondContact O-N 2.9Å; I131-R134 PolarHBondContact O-N 3.03Å; I131-Y135 WeakPolarHBondContact O-CB 3.38Å; I131-Y135 PolarHBondContact O-N 3.35Å
132	C	94	Very high	92.5	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-63.1	-45.9	175.1	-64.2	0	0	0	0	111.5	V113 L117 V128 R129 R134 Y135 I136	V113-C132 HydrophobicContact CG2-CB 3.83Å; L117-C132 HydrophobicContact CB-CB 3.98Å; L117-C132 HydrophobicContact CD1-CB 3.78Å; L117-C132 HydrophobicContact CG-CB 4.45Å; V128-C132 PolarHBondContact O-N 3.39Å; V128-C132 PolarHBondContact O-SG 2.73Å; R129-C132 WeakPolarHBondContact O-CB 3.41Å; R129-C132 PolarHBondContact O-N 2.64Å; R129-C132 VanDerWaalsContact O-N 3.14Å; C132-R134 VanDerWaalsContact C-N 3.35Å; C132-R134 PolarHBondContact O-N 3.47Å; C132-Y135 WeakPolarHBondContact O-CB 3.45Å; C132-Y135 PolarHBondContact O-N 3.08Å; C132-I136 WeakPolarHBondContact O-CG1 3.08Å; C132-I136 PolarHBondContact O-N 3.49Å
133	C	92.9	Very high	92.2	Very high	4 Å²	4	56.1 Å²	56.1	3%	0.027	27%	0.273	C	S	.	.	H	α-helix	trans	-53.7	-51.1	173.8	-68.6	0	0	0	0	111.3	R129 N130 Y135 I136 S137 L160	R129-C133 PolarHBondContact O-N 2.93Å; R129-C133 PolarHBondContact O-SG 3.49Å; N130-C133 PolarHBondContact O-N 2.82Å; C133-Y135 PolarHBondContact O-N 2.79Å; C133-I136 PolarHBondContact O-N 3.07Å; C133-S137 PolarHBondContact O-N 3.36Å; C133-S137 PolarHBondContact O-OG 2.83Å; C133-S137 VanDerWaalsContact O-OG 3.09Å; C133-L160 HydrophobicContact CB-CB 4.08Å
134	R	92.5	Very high	92	Very high	169 Å²	169	56.8 Å²	56.8	64%	0.638	28%	0.276	S	S	*	.	H	α-helix	trans	-60.2	-43.3	177.4	180	177.7	169.1	161	2.4	112.7	N130 I131 C132 I136 S137 E138	N130-R134 PolarHBondContact O-N 3.39Å; I131-R134 PolarHBondContact O-N 3.03Å; C132-R134 VanDerWaalsContact C-N 3.35Å; C132-R134 PolarHBondContact O-N 3.47Å; R134-I136 VanDerWaalsContact C-N 3.28Å; R134-I136 PolarHBondContact O-N 3.24Å; R134-S137 PolarHBondContact O-N 3.33Å; R134-E138 IonicContact CZ-OE1 2.76Å; R134-E138 IonicContact NE-OE1 3.18Å; R134-E138 PolarHBondContact NE-OE1 3.18Å; R134-E138 IonicContact NH2-OE1 3.19Å; R134-E138 PolarHBondContact NH2-OE1 3.08Å; R134-E138 WeakPolarHBondContact O-CG 3.24Å; R134-E138 PolarHBondContact O-N 2.93Å
135	Y	93.2	Very high	92	Very high	45 Å²	45	51.4 Å²	51.4	18%	0.176	25%	0.251	C	S	.	.	H	α-helix	trans	-59.6	-39.7	179.6	-174.6	-86.8	0	0	0	112.3	I108 P110 V113 I131 C132 C133 R139	I108-Y135 HydrophobicContact CG2-CD1 4.1Å; I108-Y135 HydrophobicContact CG2-CD2 4.12Å; I108-Y135 HydrophobicContact CG2-CE1 4.48Å; I108-Y135 HydrophobicContact CG2-CE2 4.48Å; I108-Y135 HydrophobicContact CG2-CG 3.91Å; P110-Y135 VanDerWaalsContact CD-OH 3.26Å; P110-Y135 WeakPolarHBondContact CD-OH 3.27Å; V113-Y135 HydrophobicContact CB-CD1 4.21Å; V113-Y135 HydrophobicContact CG1-CD1 4.17Å; V113-Y135 HydrophobicContact CG1-CE1 4.32Å; V113-Y135 HydrophobicContact CG2-CD1 3.96Å; I131-Y135 WeakPolarHBondContact O-CB 3.38Å; I131-Y135 PolarHBondContact O-N 3.35Å; C132-Y135 WeakPolarHBondContact O-CB 3.45Å; C132-Y135 PolarHBondContact O-N 3.08Å; C133-Y135 PolarHBondContact O-N 2.79Å; Y135-R139 PolarHBondContact O-NH1 2.89Å
136	I	92.8	Very high	91.9	Very high	0 Å²	0	51 Å²	51	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-71.2	-47.2	175.8	-62.6	165.2	0	0	0	110.5	V113 L117 C132 C133 R134 E138 R139 L140 M148 L160 L239	V113-I136 HydrophobicContact CG1-CG1 4.18Å; V113-I136 HydrophobicContact CG2-CD1 4.09Å; V113-I136 HydrophobicContact CG2-CG1 3.94Å; L117-I136 HydrophobicContact CD2-CD1 3.88Å; C132-I136 WeakPolarHBondContact O-CG1 3.08Å; C132-I136 PolarHBondContact O-N 3.49Å; C133-I136 PolarHBondContact O-N 3.07Å; R134-I136 VanDerWaalsContact C-N 3.28Å; R134-I136 PolarHBondContact O-N 3.24Å; I136-E138 PolarHBondContact O-N 3.02Å; I136-R139 CarbonylContact O-C 3.56Å; I136-R139 WeakPolarHBondContact O-CA 3.19Å; I136-R139 PolarHBondContact O-N 2.62Å; I136-L140 HydrophobicContact CG2-CD2 3.97Å; I136-L140 PolarHBondContact O-N 3.2Å; I136-L140 VanDerWaalsContact O-N 3.17Å; I136-M148 HydrophobicContact CD1-SD 4.43Å; I136-M148 HydrophobicContact CG2-CE 4.46Å; I136-M148 HydrophobicContact CG2-CG 4.28Å; I136-M148 HydrophobicContact CG2-SD 3.93Å; I136-L160 HydrophobicContact CB-CD1 4.08Å; I136-L160 HydrophobicContact CD1-CD2 4.15Å; I136-L160 HydrophobicContact CG2-CD1 3.85Å; I136-L160 HydrophobicContact CG2-CD2 4.39Å; I136-L239 HydrophobicContact CG1-CD1 4.28Å
137	S	90.8	Very high	91.7	Very high	42 Å²	42	49.6 Å²	49.6	29%	0.294	24%	0.244	S	C	.	.	H	α-helix	trans	-56.1	-37	178.7	-64.2	0	0	0	0	113.2	C133 R134 R139 L160 A163	C133-S137 PolarHBondContact O-N 3.36Å; C133-S137 PolarHBondContact O-OG 2.83Å; C133-S137 VanDerWaalsContact O-OG 3.09Å; R134-S137 PolarHBondContact O-N 3.33Å; S137-R139 PolarHBondContact O-N 2.64Å; S137-L160 WeakPolarHBondContact OG-CD1 3.46Å; S137-A163 WeakPolarHBondContact OG-CB 3.46Å
138	E	89.5	Confident	91.6	Very high	111 Å²	111	43.7 Å²	43.7	52%	0.519	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-7.8	175.5	-70.6	175.7	-176.1	0	0	113.8	R134 I136	R134-E138 IonicContact CZ-OE1 2.76Å; R134-E138 IonicContact NE-OE1 3.18Å; R134-E138 PolarHBondContact NE-OE1 3.18Å; R134-E138 IonicContact NH2-OE1 3.19Å; R134-E138 PolarHBondContact NH2-OE1 3.08Å; R134-E138 WeakPolarHBondContact O-CG 3.24Å; R134-E138 PolarHBondContact O-N 2.93Å; I136-E138 PolarHBondContact O-N 3.02Å
139	R	88.9	Confident	91.5	Very high	70 Å²	70	43.5 Å²	43.5	26%	0.264	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-131.9	14.8	-171.7	-72.8	171.1	-179.1	66.8	8.4	114.6	Y135 I136 S137 T141 L239	Y135-R139 PolarHBondContact O-NH1 2.89Å; I136-R139 CarbonylContact O-C 3.56Å; I136-R139 WeakPolarHBondContact O-CA 3.19Å; I136-R139 PolarHBondContact O-N 2.62Å; S137-R139 PolarHBondContact O-N 2.64Å; R139-T141 PolarHBondContact O-N 3.34Å; R139-L239 HydrophobicContact CB-CD2 4.1Å
140	L	90.4	Very high	91.3	Very high	15 Å²	15	43.6 Å²	43.6	8%	0.079	22%	0.216	C	C	.	.			trans	-60.7	133.6	176.9	-66.5	175.7	0	0	0	112	I136 V145 M148 Y167	I136-L140 HydrophobicContact CG2-CD2 3.97Å; I136-L140 PolarHBondContact O-N 3.2Å; I136-L140 VanDerWaalsContact O-N 3.17Å; L140-V145 HydrophobicContact CD1-CG2 4.39Å; L140-V145 HydrophobicContact CD2-CG2 4.37Å; L140-M148 HydrophobicContact CD2-CB 4.35Å; L140-Y167 HydrophobicContact CB-CD2 3.74Å; L140-Y167 HydrophobicContact CB-CE2 3.9Å; L140-Y167 HydrophobicContact CB-CG 4.1Å; L140-Y167 HydrophobicContact CD1-CD2 4.36Å; L140-Y167 HydrophobicContact CD1-CG 4.32Å; L140-Y167 WeakPolarHBondContact O-CE2 3.4Å; L140-Y167 VanDerWaalsContact O-CZ 3.32Å; L140-Y167 PolarHBondContact O-OH 3.29Å; L140-Y167 VanDerWaalsContact O-OH 3.14Å
141	T	90.8	Very high	91.1	Very high	37 Å²	37	41.4 Å²	41.4	23%	0.227	20%	0.204	C	C	.	.			trans	-123.1	163.2	171.8	70.4	0	0	0	0	111.3	R139 D143 I144 V145 Y167 P240	R139-T141 PolarHBondContact O-N 3.34Å; T141-D143 PolarHBondContact O-N 3.44Å; T141-I144 PolarHBondContact O-N 3.33Å; T141-I144 WeakPolarHBondContact OG1-CG1 3.48Å; T141-V145 WeakPolarHBondContact O-CB 3.43Å; T141-V145 PolarHBondContact O-N 2.92Å; T141-V145 VanDerWaalsContact O-N 3.13Å; T141-Y167 WeakPolarHBondContact CA-OH 3.37Å; T141-P240 HydrophobicContact CG2-CG 3.54Å
142	V	90.8	Very high	91	Very high	34 Å²	34	36.6 Å²	36.6	21%	0.206	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-38.8	179.8	-177.6	0	0	0	0	112.1	Y167 D174 I175 T178	V142-Y167 HydrophobicContact CG2-CE1 4.44Å; V142-D174 HydrophobicContact CG1-CB 3.98Å; V142-D174 HydrophobicContact CG2-CB 4.42Å; V142-I175 HydrophobicContact CB-CG1 4.5Å; V142-I175 HydrophobicContact CG1-CB 4.37Å; V142-I175 HydrophobicContact CG1-CG1 3.71Å; V142-T178 HydrophobicContact CG1-CG2 3.75Å
143	D	87.4	Confident	90.8	Very high	102 Å²	102	39.7 Å²	39.7	55%	0.545	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-37	-176	-50.3	-79.1	0	0	0	113.6	T141 S180	T141-D143 PolarHBondContact O-N 3.44Å; D143-S180 PolarHBondContact O-OG 3.25Å; D143-S180 VanDerWaalsContact O-OG 3.06Å
144	I	88.9	Confident	90.6	Very high	14 Å²	14	43.3 Å²	43.3	7%	0.072	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.9	-19.4	-171.6	72.8	-178.6	0	0	0	114	T141 L146 P147 M148 I237 L239	T141-I144 PolarHBondContact O-N 3.33Å; T141-I144 WeakPolarHBondContact OG1-CG1 3.48Å; I144-L146 PolarHBondContact O-N 3.14Å; I144-P147 WeakPolarHBondContact O-CD 3.47Å; I144-M148 HydrophobicContact CB-CG 4.48Å; I144-M148 HydrophobicContact CG1-CG 4.45Å; I144-M148 WeakPolarHBondContact O-CB 3.45Å; I144-M148 WeakPolarHBondContact O-CG 3.21Å; I144-M148 PolarHBondContact O-N 3.34Å; I144-I237 HydrophobicContact CB-CG2 3.63Å; I144-I237 HydrophobicContact CG2-CG2 3.6Å; I144-L239 HydrophobicContact CD1-CD2 3.41Å; I144-L239 VanDerWaalsContact CD1-CD2 3.41Å; I144-L239 HydrophobicContact CD1-CG 4.32Å
145	V	93	Very high	90.3	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-66.1	-33.9	-166.5	67.5	0	0	0	0	113.7	L140 T141 R149 C164 Y167 I168 I175	L140-V145 HydrophobicContact CD1-CG2 4.39Å; L140-V145 HydrophobicContact CD2-CG2 4.37Å; T141-V145 WeakPolarHBondContact O-CB 3.43Å; T141-V145 PolarHBondContact O-N 2.92Å; T141-V145 VanDerWaalsContact O-N 3.13Å; V145-R149 WeakPolarHBondContact O-CB 3.25Å; V145-R149 PolarHBondContact O-N 2.79Å; V145-C164 HydrophobicContact CG2-CB 3.89Å; V145-Y167 HydrophobicContact CB-CD1 4.08Å; V145-Y167 HydrophobicContact CG1-CD1 4.09Å; V145-Y167 HydrophobicContact CG1-CE1 4.42Å; V145-Y167 HydrophobicContact CG2-CD1 3.9Å; V145-Y167 HydrophobicContact CG2-CG 4.28Å; V145-I168 HydrophobicContact CB-CG1 4.4Å; V145-I168 HydrophobicContact CG1-CG1 3.82Å; V145-I168 HydrophobicContact CG2-CD1 4.1Å; V145-I168 HydrophobicContact CG2-CG1 3.73Å; V145-I175 HydrophobicContact CG1-CD1 3.64Å; V145-I175 HydrophobicContact CG1-CG1 4.18Å
146	L	91.9	Very high	90	Very high	4 Å²	4	42.3 Å²	42.3	2%	0.021	23%	0.227	C	C	.	.	H	α-helix	trans	-69.5	-53	176.1	-69.2	175.6	0	0	0	111.6	I144 M148 R149 N150 I168 I175 F181 L184 L192	I144-L146 PolarHBondContact O-N 3.14Å; L146-M148 VanDerWaalsContact C-N 3.26Å; L146-M148 PolarHBondContact O-N 3.41Å; L146-R149 WeakPolarHBondContact O-CB 3.42Å; L146-R149 PolarHBondContact O-N 3.47Å; L146-R149 VanDerWaalsContact O-N 3.15Å; L146-N150 PolarHBondContact O-N 3.42Å; L146-N150 PolarHBondContact O-OD1 3.23Å; L146-I168 HydrophobicContact CD2-CD1 3.74Å; L146-I168 HydrophobicContact CD2-CG1 4.08Å; L146-I175 HydrophobicContact CD1-CG2 3.51Å; L146-I175 HydrophobicContact CD2-CG2 4.46Å; L146-I175 HydrophobicContact CG-CG2 3.91Å; L146-F181 HydrophobicContact CD1-CB 4.07Å; L146-L184 HydrophobicContact CD1-CD1 3.92Å; L146-L184 HydrophobicContact CD1-CD2 4.24Å; L146-L184 HydrophobicContact CD1-CG 4.13Å; L146-L184 HydrophobicContact CD2-CD1 4.36Å; L146-L184 HydrophobicContact CD2-CD2 4.24Å; L146-L192 HydrophobicContact CD2-CD1 4.17Å
147	P	90	Very high	89.8	Confident	49 Å²	49	42.7 Å²	42.7	32%	0.318	23%	0.229	S	C	.	.	H	α-helix	trans	-52.9	-40	169.3	-29.6	35.2	0	0	0	114.2	I144 N150 L151 I237	I144-P147 WeakPolarHBondContact O-CD 3.47Å; P147-N150 PolarHBondContact O-N 2.92Å; P147-L151 WeakPolarHBondContact O-CB 3.38Å; P147-L151 PolarHBondContact O-N 3.43Å; P147-I237 HydrophobicContact CB-CD1 3.54Å; P147-I237 HydrophobicContact CB-CG1 4.03Å
148	M	91.4	Very high	89.7	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-69.9	-33.9	178	-78	-66.1	176.4	0	0	113.5	I136 L140 I144 L146 L151 A152 I237 L239	I136-M148 HydrophobicContact CD1-SD 4.43Å; I136-M148 HydrophobicContact CG2-CE 4.46Å; I136-M148 HydrophobicContact CG2-CG 4.28Å; I136-M148 HydrophobicContact CG2-SD 3.93Å; L140-M148 HydrophobicContact CD2-CB 4.35Å; I144-M148 HydrophobicContact CB-CG 4.48Å; I144-M148 HydrophobicContact CG1-CG 4.45Å; I144-M148 WeakPolarHBondContact O-CB 3.45Å; I144-M148 WeakPolarHBondContact O-CG 3.21Å; I144-M148 PolarHBondContact O-N 3.34Å; L146-M148 VanDerWaalsContact C-N 3.26Å; L146-M148 PolarHBondContact O-N 3.41Å; M148-L151 HydrophobicContact SD-CD2 3.86Å; M148-A152 WeakPolarHBondContact O-CB 3.23Å; M148-A152 PolarHBondContact O-N 2.69Å; M148-I237 HydrophobicContact CE-CB 3.73Å; M148-I237 HydrophobicContact CE-CD1 3.79Å; M148-I237 HydrophobicContact CE-CG1 4.37Å; M148-I237 HydrophobicContact CE-CG2 3.71Å; M148-I237 HydrophobicContact CG-CD1 4.16Å; M148-I237 HydrophobicContact CG-CG2 4.48Å; M148-I237 HydrophobicContact SD-CD1 3.98Å; M148-L239 HydrophobicContact CE-CD1 4.21Å; M148-L239 HydrophobicContact CE-CG 4.29Å
149	R	92.7	Very high	89.7	Confident	1 Å²	1	45.5 Å²	45.5	0%	0.004	25%	0.251	C	S	.	.	H	α-helix	trans	-60.5	-49.9	171.7	177.2	178	176.7	-117.2	2.3	110.3	V145 L146 L151 A152 Q153 C164 E165 I168 E191	V145-R149 WeakPolarHBondContact O-CB 3.25Å; V145-R149 PolarHBondContact O-N 2.79Å; L146-R149 WeakPolarHBondContact O-CB 3.42Å; L146-R149 PolarHBondContact O-N 3.47Å; L146-R149 VanDerWaalsContact O-N 3.15Å; R149-L151 PolarHBondContact O-N 3Å; R149-A152 PolarHBondContact O-N 2.84Å; R149-A152 VanDerWaalsContact O-N 3.13Å; R149-Q153 WeakPolarHBondContact O-CG 3.46Å; R149-Q153 PolarHBondContact O-N 3.38Å; R149-C164 HydrophobicContact CB-CB 3.94Å; R149-E165 IonicContact CZ-OE1 2.66Å; R149-E165 IonicContact NE-OE1 3.63Å; R149-E165 PolarHBondContact NE-OE1 3.42Å; R149-E165 IonicContact NH2-OE1 3.54Å; R149-E165 PolarHBondContact NH2-OE1 2.97Å; R149-E165 VanDerWaalsContact NH2-OE1 3.1Å; R149-I168 HydrophobicContact CB-CD1 4.18Å; R149-I168 HydrophobicContact CG-CD1 4.44Å; R149-E191 IonicContact CZ-OE2 3.54Å; R149-E191 IonicContact NH1-OE2 3.14Å; R149-E191 IonicContact NH2-OE1 3.84Å; R149-E191 IonicContact NH2-OE2 3.33Å; R149-E191 PolarHBondContact NH2-OE2 2.8Å
150	N	89.2	Confident	89.8	Confident	56 Å²	56	42.2 Å²	42.2	30%	0.299	24%	0.238	S	C	.	.	H	α-helix	trans	-65.8	-39.5	-177.7	-68.5	25.3	0	0	0	111.3	L146 P147 Q153 S154 E188	L146-N150 PolarHBondContact O-N 3.42Å; L146-N150 PolarHBondContact O-OD1 3.23Å; P147-N150 PolarHBondContact O-N 2.92Å; N150-Q153 PolarHBondContact O-N 3.44Å; N150-S154 PolarHBondContact O-N 3.14Å; N150-E188 PolarHBondContact ND2-OE1 3.38Å
151	L	89.3	Confident	89.9	Confident	16 Å²	16	42.4 Å²	42.4	8%	0.084	24%	0.24	C	C	.	.	H	α-helix	trans	-60.8	-44.7	170.5	-169.8	82	0	0	0	112	Q114 L117 P147 M148 R149 Q153 S154 F155	Q114-L151 HydrophobicContact CG-CD2 3.96Å; L117-L151 HydrophobicContact CD2-CD2 4.41Å; P147-L151 WeakPolarHBondContact O-CB 3.38Å; P147-L151 PolarHBondContact O-N 3.43Å; M148-L151 HydrophobicContact SD-CD2 3.86Å; R149-L151 PolarHBondContact O-N 3Å; L151-Q153 VanDerWaalsContact C-N 3.32Å; L151-Q153 PolarHBondContact O-N 3.27Å; L151-S154 PolarHBondContact O-N 3.1Å; L151-S154 PolarHBondContact O-OG 2.72Å; L151-F155 HydrophobicContact CD1-CD2 4.2Å; L151-F155 HydrophobicContact CD1-CE2 3.73Å; L151-F155 HydrophobicContact CG-CD2 4.16Å; L151-F155 HydrophobicContact CG-CE2 4.2Å; L151-F155 VanDerWaalsContact O-CD2 3.23Å; L151-F155 WeakPolarHBondContact O-CD2 3.44Å; L151-F155 PolarHBondContact O-N 3.19Å
152	A	91.3	Very high	89.8	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-66.7	-35	179.5	0	0	0	0	0	112.2	M148 R149 L156 C157 L160 V161	M148-A152 WeakPolarHBondContact O-CB 3.23Å; M148-A152 PolarHBondContact O-N 2.69Å; R149-A152 PolarHBondContact O-N 2.84Å; R149-A152 VanDerWaalsContact O-N 3.13Å; A152-L156 PolarHBondContact O-N 2.82Å; A152-C157 HydrophobicContact CB-CB 4.32Å; A152-C157 PolarHBondContact O-N 2.84Å; A152-L160 HydrophobicContact CB-CB 3.96Å; A152-L160 HydrophobicContact CB-CD2 3.74Å; A152-L160 HydrophobicContact CB-CG 3.67Å; A152-V161 HydrophobicContact CB-CG2 3.58Å
153	Q	90.3	Very high	89.8	Confident	64 Å²	64	43.6 Å²	43.6	30%	0.299	25%	0.253	S	S	.	.	H	α-helix	trans	-66.9	-45.9	174.1	-74.4	174.6	-28.8	0	0	111.5	R149 N150 L151 F155 L156 V161	R149-Q153 WeakPolarHBondContact O-CG 3.46Å; R149-Q153 PolarHBondContact O-N 3.38Å; N150-Q153 PolarHBondContact O-N 3.44Å; L151-Q153 VanDerWaalsContact C-N 3.32Å; L151-Q153 PolarHBondContact O-N 3.27Å; Q153-F155 VanDerWaalsContact C-N 3.27Å; Q153-F155 PolarHBondContact O-N 3.47Å; Q153-L156 PolarHBondContact O-N 3.46Å; Q153-V161 HydrophobicContact CB-CG2 4.42Å; Q153-V161 HydrophobicContact CG-CG1 3.97Å; Q153-V161 HydrophobicContact CG-CG2 3.71Å
154	S	87.9	Confident	90	Very high	80 Å²	80	38.7 Å²	38.7	56%	0.559	23%	0.227	S	C	*	.	H	α-helix	trans	-64	-30.5	-179.5	69.6	0	0	0	0	113.4	N150 L151	N150-S154 PolarHBondContact O-N 3.14Å; L151-S154 PolarHBondContact O-N 3.1Å; L151-S154 PolarHBondContact O-OG 2.72Å
155	F	86.8	Confident	90.1	Very high	45 Å²	45	40 Å²	40	20%	0.197	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.2	16	173.8	-61.9	-66.9	0	0	0	114.6	I118 N121 L151 Q153 C157	I118-F155 HydrophobicContact CB-CZ 4.28Å; I118-F155 HydrophobicContact CD1-CE2 4.31Å; I118-F155 HydrophobicContact CD1-CZ 4.38Å; I118-F155 HydrophobicContact CG1-CD2 4.33Å; I118-F155 HydrophobicContact CG1-CE1 4.44Å; I118-F155 HydrophobicContact CG1-CE2 3.63Å; I118-F155 HydrophobicContact CG1-CZ 3.69Å; I118-F155 HydrophobicContact CG2-CE1 4.13Å; I118-F155 HydrophobicContact CG2-CZ 3.93Å; N121-F155 HydrophobicContact CB-CD1 4.33Å; L151-F155 HydrophobicContact CD1-CD2 4.2Å; L151-F155 HydrophobicContact CD1-CE2 3.73Å; L151-F155 HydrophobicContact CG-CD2 4.16Å; L151-F155 HydrophobicContact CG-CE2 4.2Å; L151-F155 VanDerWaalsContact O-CD2 3.23Å; L151-F155 WeakPolarHBondContact O-CD2 3.44Å; L151-F155 PolarHBondContact O-N 3.19Å; Q153-F155 VanDerWaalsContact C-N 3.27Å; Q153-F155 PolarHBondContact O-N 3.47Å; F155-C157 PolarHBondContact O-N 2.97Å; F155-C157 VanDerWaalsContact O-N 3.09Å; F155-C157 PolarHBondContact O-SG 3.21Å
156	L	86.7	Confident	89.9	Confident	149 Å²	149	44.2 Å²	44.2	78%	0.78	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.6	31.6	176.4	-57.5	174.9	0	0	0	114.2	A152 Q153 A158	A152-L156 PolarHBondContact O-N 2.82Å; Q153-L156 PolarHBondContact O-N 3.46Å; L156-A158 VanDerWaalsContact C-N 3.31Å; L156-A158 PolarHBondContact O-N 3.38Å
157	C	88.2	Confident	89.8	Confident	7 Å²	7	47 Å²	47	5%	0.047	27%	0.269	C	S	.	.			trans	-85.3	67.2	-177.1	-70.7	0	0	0	0	111.2	A152 F155 E159 L160 V161	A152-C157 HydrophobicContact CB-CB 4.32Å; A152-C157 PolarHBondContact O-N 2.84Å; F155-C157 PolarHBondContact O-N 2.97Å; F155-C157 VanDerWaalsContact O-N 3.09Å; F155-C157 PolarHBondContact O-SG 3.21Å; C157-E159 VanDerWaalsContact C-N 3.29Å; C157-E159 PolarHBondContact O-N 3.34Å; C157-E159 VanDerWaalsContact O-N 3.12Å; C157-L160 HydrophobicContact CB-CB 4.15Å; C157-L160 WeakPolarHBondContact O-CA 3.45Å; C157-L160 WeakPolarHBondContact O-CB 3.48Å; C157-L160 PolarHBondContact O-N 2.71Å; C157-V161 PolarHBondContact O-N 3.1Å
158	A	89.5	Confident	89.9	Confident	75 Å²	75	44.7 Å²	44.7	62%	0.62	25%	0.254	S	S	*	.	H	α-helix	trans	-50.3	-40	-171.5	0	0	0	0	0	115.1	L156 L160 V161 S162	L156-A158 VanDerWaalsContact C-N 3.31Å; L156-A158 PolarHBondContact O-N 3.38Å; A158-L160 PolarHBondContact O-N 2.98Å; A158-V161 PolarHBondContact O-N 3.4Å; A158-S162 WeakPolarHBondContact O-CB 3.26Å; A158-S162 PolarHBondContact O-N 3.26Å
159	E	88.1	Confident	89.8	Confident	138 Å²	138	46.5 Å²	46.5	65%	0.645	26%	0.261	S	S	*	.	H	α-helix	trans	-61.8	-40.6	175.6	-65.9	179.5	-176.8	0	0	112.5	C157 A163	C157-E159 VanDerWaalsContact C-N 3.29Å; C157-E159 PolarHBondContact O-N 3.34Å; C157-E159 VanDerWaalsContact O-N 3.12Å; E159-A163 WeakPolarHBondContact O-CB 3.47Å; E159-A163 PolarHBondContact O-N 3.13Å
160	L	91.7	Very high	89.4	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-74.5	-36.5	177.9	-179.5	60.1	0	0	0	111.3	L117 C133 I136 S137 A152 C157 A158 A163 C164	L117-L160 HydrophobicContact CD2-CD2 4.28Å; C133-L160 HydrophobicContact CB-CB 4.08Å; I136-L160 HydrophobicContact CB-CD1 4.08Å; I136-L160 HydrophobicContact CD1-CD2 4.15Å; I136-L160 HydrophobicContact CG2-CD1 3.85Å; I136-L160 HydrophobicContact CG2-CD2 4.39Å; S137-L160 WeakPolarHBondContact OG-CD1 3.46Å; A152-L160 HydrophobicContact CB-CB 3.96Å; A152-L160 HydrophobicContact CB-CD2 3.74Å; A152-L160 HydrophobicContact CB-CG 3.67Å; C157-L160 HydrophobicContact CB-CB 4.15Å; C157-L160 WeakPolarHBondContact O-CA 3.45Å; C157-L160 WeakPolarHBondContact O-CB 3.48Å; C157-L160 PolarHBondContact O-N 2.71Å; A158-L160 PolarHBondContact O-N 2.98Å; L160-A163 PolarHBondContact O-N 2.66Å; L160-C164 WeakPolarHBondContact O-CB 3.37Å; L160-C164 PolarHBondContact O-N 3.1Å; L160-C164 PolarHBondContact O-SG 2.81Å
161	V	91.9	Very high	89.3	Confident	19 Å²	19	52.2 Å²	52.2	12%	0.115	29%	0.285	C	S	.	.	H	α-helix	trans	-59	-50.8	172.4	178.2	0	0	0	0	110	A152 Q153 C157 A158 A163 C164 E165	A152-V161 HydrophobicContact CB-CG2 3.58Å; Q153-V161 HydrophobicContact CB-CG2 4.42Å; Q153-V161 HydrophobicContact CG-CG1 3.97Å; Q153-V161 HydrophobicContact CG-CG2 3.71Å; C157-V161 PolarHBondContact O-N 3.1Å; A158-V161 PolarHBondContact O-N 3.4Å; V161-A163 VanDerWaalsContact C-N 3.33Å; V161-A163 PolarHBondContact O-N 3.34Å; V161-C164 PolarHBondContact O-N 2.84Å; V161-C164 VanDerWaalsContact O-N 3.14Å; V161-E165 HydrophobicContact CG1-CG 4.36Å; V161-E165 WeakPolarHBondContact O-CB 3.44Å; V161-E165 WeakPolarHBondContact O-CG 3.38Å; V161-E165 PolarHBondContact O-N 2.95Å
162	S	89.7	Confident	89.4	Confident	66 Å²	66	51.5 Å²	51.5	46%	0.462	28%	0.282	S	S	.	.	H	α-helix	trans	-61.7	-38.1	178.4	-176.7	0	0	0	0	112.7	A158 T166	A158-S162 WeakPolarHBondContact O-CB 3.26Å; A158-S162 PolarHBondContact O-N 3.26Å; S162-T166 WeakPolarHBondContact O-CB 3.27Å; S162-T166 PolarHBondContact O-N 3.16Å; S162-T166 PolarHBondContact O-OG1 3.06Å
163	A	89.3	Confident	89.2	Confident	30 Å²	30	53.2 Å²	53.2	25%	0.248	29%	0.29	C	S	.	.	H	α-helix	trans	-65	-43	173.3	0	0	0	0	0	112.4	S137 E159 L160 V161 Y167	S137-A163 WeakPolarHBondContact OG-CB 3.46Å; E159-A163 WeakPolarHBondContact O-CB 3.47Å; E159-A163 PolarHBondContact O-N 3.13Å; L160-A163 PolarHBondContact O-N 2.66Å; V161-A163 VanDerWaalsContact C-N 3.33Å; V161-A163 PolarHBondContact O-N 3.34Å; A163-Y167 WeakPolarHBondContact O-CB 3.46Å; A163-Y167 PolarHBondContact O-N 2.89Å
164	C	92.8	Very high	89.1	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-63.9	-46.2	175.4	-66.7	0	0	0	0	111.3	V145 R149 L160 V161 Y167 I168	V145-C164 HydrophobicContact CG2-CB 3.89Å; R149-C164 HydrophobicContact CB-CB 3.94Å; L160-C164 WeakPolarHBondContact O-CB 3.37Å; L160-C164 PolarHBondContact O-N 3.1Å; L160-C164 PolarHBondContact O-SG 2.81Å; V161-C164 PolarHBondContact O-N 2.84Å; V161-C164 VanDerWaalsContact O-N 3.14Å; C164-Y167 CarbonylContact O-C 3.48Å; C164-Y167 WeakPolarHBondContact O-CB 3.49Å; C164-Y167 PolarHBondContact O-N 3.49Å; C164-Y167 VanDerWaalsContact O-N 3.17Å; C164-I168 WeakPolarHBondContact O-CB 3.16Å; C164-I168 WeakPolarHBondContact O-CD1 3.15Å; C164-I168 WeakPolarHBondContact O-CG1 3.3Å; C164-I168 PolarHBondContact O-N 3.1Å
165	E	91.1	Very high	89.3	Confident	42 Å²	42	49.7 Å²	49.7	20%	0.196	27%	0.266	C	S	.	.	H	α-helix	trans	-62.8	-44.3	178.1	-74.2	178.9	173.4	0	0	112.1	R149 V161 Y167 I168 Y169	R149-E165 IonicContact CZ-OE1 2.66Å; R149-E165 IonicContact NE-OE1 3.63Å; R149-E165 PolarHBondContact NE-OE1 3.42Å; R149-E165 IonicContact NH2-OE1 3.54Å; R149-E165 PolarHBondContact NH2-OE1 2.97Å; R149-E165 VanDerWaalsContact NH2-OE1 3.1Å; V161-E165 HydrophobicContact CG1-CG 4.36Å; V161-E165 WeakPolarHBondContact O-CB 3.44Å; V161-E165 WeakPolarHBondContact O-CG 3.38Å; V161-E165 PolarHBondContact O-N 2.95Å; E165-Y167 VanDerWaalsContact C-N 3.26Å; E165-Y167 PolarHBondContact O-N 2.97Å; E165-I168 PolarHBondContact O-N 3.35Å; E165-I168 VanDerWaalsContact O-N 3.12Å; E165-Y169 HydrophobicContact CB-CD2 4.41Å; E165-Y169 HydrophobicContact CB-CE2 3.81Å; E165-Y169 WeakPolarHBondContact O-CB 3.45Å; E165-Y169 WeakPolarHBondContact O-CD2 3.34Å; E165-Y169 PolarHBondContact O-N 3.15Å
166	T	88.4	Confident	89.5	Confident	88 Å²	88	47.9 Å²	47.9	54%	0.54	26%	0.26	S	S	.	.	H	α-helix	trans	-58.2	-40.4	173.4	-57.5	0	0	0	0	111.6	S162 K170	S162-T166 WeakPolarHBondContact O-CB 3.27Å; S162-T166 PolarHBondContact O-N 3.16Å; S162-T166 PolarHBondContact O-OG1 3.06Å; T166-K170 WeakPolarHBondContact O-CB 3.36Å; T166-K170 PolarHBondContact O-N 2.9Å; T166-K170 VanDerWaalsContact O-N 3.16Å
167	Y	90.2	Very high	89.7	Confident	62 Å²	62	48 Å²	48	24%	0.243	25%	0.25	C	S	.	.	H	α-helix	trans	-69.2	-39.9	175.5	-168.5	-75.7	0	0	0	112.1	L140 T141 V142 V145 A163 C164 E165 K170 N171	L140-Y167 HydrophobicContact CB-CD2 3.74Å; L140-Y167 HydrophobicContact CB-CE2 3.9Å; L140-Y167 HydrophobicContact CB-CG 4.1Å; L140-Y167 HydrophobicContact CD1-CD2 4.36Å; L140-Y167 HydrophobicContact CD1-CG 4.32Å; L140-Y167 WeakPolarHBondContact O-CE2 3.4Å; L140-Y167 VanDerWaalsContact O-CZ 3.32Å; L140-Y167 PolarHBondContact O-OH 3.29Å; L140-Y167 VanDerWaalsContact O-OH 3.14Å; T141-Y167 WeakPolarHBondContact CA-OH 3.37Å; V142-Y167 HydrophobicContact CG2-CE1 4.44Å; V145-Y167 HydrophobicContact CB-CD1 4.08Å; V145-Y167 HydrophobicContact CG1-CD1 4.09Å; V145-Y167 HydrophobicContact CG1-CE1 4.42Å; V145-Y167 HydrophobicContact CG2-CD1 3.9Å; V145-Y167 HydrophobicContact CG2-CG 4.28Å; A163-Y167 WeakPolarHBondContact O-CB 3.46Å; A163-Y167 PolarHBondContact O-N 2.89Å; C164-Y167 CarbonylContact O-C 3.48Å; C164-Y167 WeakPolarHBondContact O-CB 3.49Å; C164-Y167 PolarHBondContact O-N 3.49Å; C164-Y167 VanDerWaalsContact O-N 3.17Å; E165-Y167 VanDerWaalsContact C-N 3.26Å; E165-Y167 PolarHBondContact O-N 2.97Å; Y167-K170 PolarHBondContact O-N 2.82Å; Y167-N171 WeakPolarHBondContact CD1-ND2 3.46Å; Y167-N171 HydrophobicContact CE1-CB 4.36Å; Y167-N171 WeakPolarHBondContact CE1-ND2 3.48Å; Y167-N171 PolarHBondContact O-N 3.27Å; Y167-N171 VanDerWaalsContact O-N 3.11Å; Y167-N171 PolarHBondContact O-ND2 3.33Å
168	I	92	Very high	89.7	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-63.4	-52.9	177.6	-70.2	155.5	0	0	0	110.2	V145 L146 R149 C164 E165 K170 N171 F172 I175 L192	V145-I168 HydrophobicContact CB-CG1 4.4Å; V145-I168 HydrophobicContact CG1-CG1 3.82Å; V145-I168 HydrophobicContact CG2-CD1 4.1Å; V145-I168 HydrophobicContact CG2-CG1 3.73Å; L146-I168 HydrophobicContact CD2-CD1 3.74Å; L146-I168 HydrophobicContact CD2-CG1 4.08Å; R149-I168 HydrophobicContact CB-CD1 4.18Å; R149-I168 HydrophobicContact CG-CD1 4.44Å; C164-I168 WeakPolarHBondContact O-CB 3.16Å; C164-I168 WeakPolarHBondContact O-CD1 3.15Å; C164-I168 WeakPolarHBondContact O-CG1 3.3Å; C164-I168 PolarHBondContact O-N 3.1Å; E165-I168 PolarHBondContact O-N 3.35Å; E165-I168 VanDerWaalsContact O-N 3.12Å; I168-K170 VanDerWaalsContact C-N 3.27Å; I168-K170 PolarHBondContact O-N 2.86Å; I168-N171 CarbonylContact O-C 3.59Å; I168-N171 PolarHBondContact O-N 2.85Å; I168-F172 HydrophobicContact CG2-CD2 4.39Å; I168-F172 VanDerWaalsContact O-CA 3.31Å; I168-F172 WeakPolarHBondContact O-CA 3.29Å; I168-F172 WeakPolarHBondContact O-CB 3.25Å; I168-F172 PolarHBondContact O-N 3Å; I168-I175 HydrophobicContact CB-CD1 4.09Å; I168-I175 HydrophobicContact CG1-CD1 3.98Å; I168-I175 HydrophobicContact CG2-CD1 4.18Å; I168-L192 HydrophobicContact CG2-CD2 3.9Å
169	Y	88.8	Confident	89.7	Confident	38 Å²	38	49.5 Å²	49.5	15%	0.149	25%	0.251	C	S	.	.	H	α-helix	trans	-58.3	-40.7	179.6	-60.8	-34.5	0	0	0	111.3	E165 L192 S195 E197 L198 N199	E165-Y169 HydrophobicContact CB-CD2 4.41Å; E165-Y169 HydrophobicContact CB-CE2 3.81Å; E165-Y169 WeakPolarHBondContact O-CB 3.45Å; E165-Y169 WeakPolarHBondContact O-CD2 3.34Å; E165-Y169 PolarHBondContact O-N 3.15Å; Y169-L192 HydrophobicContact CE1-CD2 4.08Å; Y169-S195 VanDerWaalsContact CE1-CB 3.43Å; Y169-S195 WeakPolarHBondContact CE1-OG 3.42Å; Y169-E197 HydrophobicContact CD2-CB 3.91Å; Y169-E197 HydrophobicContact CG-CB 4.14Å; Y169-L198 HydrophobicContact CD1-CD1 3.79Å; Y169-L198 HydrophobicContact CE1-CD1 4.42Å; Y169-N199 WeakPolarHBondContact O-CB 3.13Å; Y169-N199 PolarHBondContact O-N 3.1Å
170	K	84.2	Confident	89.6	Confident	140 Å²	140	44.4 Å²	44.4	61%	0.609	23%	0.231	S	C	*	.	H	α-helix	trans	-66.4	-38.9	178.4	-175	176.4	178.7	-178.4	0	114	T166 Y167 I168 N199	T166-K170 WeakPolarHBondContact O-CB 3.36Å; T166-K170 PolarHBondContact O-N 2.9Å; T166-K170 VanDerWaalsContact O-N 3.16Å; Y167-K170 PolarHBondContact O-N 2.82Å; I168-K170 VanDerWaalsContact C-N 3.27Å; I168-K170 PolarHBondContact O-N 2.86Å; K170-N199 PolarHBondContact O-ND2 3.05Å
171	N	87.3	Confident	89.6	Confident	37 Å²	37	44.4 Å²	44.4	20%	0.198	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.4	21.3	-170.4	-53	-74.6	0	0	0	113.4	Y167 I168 E173 D174 I175	Y167-N171 WeakPolarHBondContact CD1-ND2 3.46Å; Y167-N171 HydrophobicContact CE1-CB 4.36Å; Y167-N171 WeakPolarHBondContact CE1-ND2 3.48Å; Y167-N171 PolarHBondContact O-N 3.27Å; Y167-N171 VanDerWaalsContact O-N 3.11Å; Y167-N171 PolarHBondContact O-ND2 3.33Å; I168-N171 CarbonylContact O-C 3.59Å; I168-N171 PolarHBondContact O-N 2.85Å; N171-E173 VanDerWaalsContact C-N 3.32Å; N171-E173 PolarHBondContact O-N 2.78Å; N171-D174 PolarHBondContact O-N 2.87Å; N171-I175 HydrophobicContact CB-CD1 4.31Å; N171-I175 WeakPolarHBondContact O-CG1 3.37Å; N171-I175 PolarHBondContact O-N 2.7Å; N171-I175 VanDerWaalsContact O-N 3.1Å
172	F	90.8	Very high	89.5	Confident	1 Å²	1	45 Å²	45	0%	0.004	23%	0.232	C	C	.	.	H	α-helix	trans	-55.7	-40	-168.3	-177.7	-102.1	0	0	0	114.1	I168 D174 I175 A176 F181 L193 L198 V200 L206 I209	I168-F172 HydrophobicContact CG2-CD2 4.39Å; I168-F172 VanDerWaalsContact O-CA 3.31Å; I168-F172 WeakPolarHBondContact O-CA 3.29Å; I168-F172 WeakPolarHBondContact O-CB 3.25Å; I168-F172 PolarHBondContact O-N 3Å; F172-D174 VanDerWaalsContact C-N 3.28Å; F172-D174 PolarHBondContact O-N 3.48Å; F172-I175 PolarHBondContact O-N 3.34Å; F172-A176 VanDerWaalsContact O-CB 3.25Å; F172-A176 WeakPolarHBondContact O-CB 3.34Å; F172-A176 PolarHBondContact O-N 3.27Å; F172-F181 HydrophobicContact CE2-CD2 4.42Å; F172-F181 AromaticContact CE2-CE2 3.72Å; F172-F181 HydrophobicContact CE2-CE2 3.72Å; F172-F181 AromaticContact CZ-CE2 3.7Å; F172-F181 HydrophobicContact CZ-CE2 3.7Å; F172-F181 HydrophobicContact CZ-CZ 4.11Å; F172-L193 HydrophobicContact CZ-CD2 4.15Å; F172-L198 HydrophobicContact CB-CD1 3.87Å; F172-L198 HydrophobicContact CB-CG 4.31Å; F172-L198 HydrophobicContact CD1-CD1 4.08Å; F172-L198 HydrophobicContact CD1-CD2 4.13Å; F172-L198 HydrophobicContact CD1-CG 4.09Å; F172-L198 HydrophobicContact CD2-CD1 3.42Å; F172-L198 VanDerWaalsContact CD2-CD1 3.42Å; F172-L198 HydrophobicContact CD2-CG 4.31Å; F172-L198 HydrophobicContact CE1-CD1 4.48Å; F172-L198 HydrophobicContact CE1-CD2 4.02Å; F172-L198 HydrophobicContact CE1-CG 4.47Å; F172-L198 HydrophobicContact CE2-CD1 3.86Å; F172-L198 HydrophobicContact CE2-CD2 4.49Å; F172-L198 HydrophobicContact CG-CD1 3.51Å; F172-L198 HydrophobicContact CG-CD2 4.39Å; F172-L198 HydrophobicContact CG-CG 3.97Å; F172-L198 HydrophobicContact CZ-CD1 4.37Å; F172-L198 HydrophobicContact CZ-CD2 4.19Å; F172-V200 HydrophobicContact CD1-CG2 3.83Å; F172-V200 HydrophobicContact CE1-CG2 4.36Å; F172-L206 HydrophobicContact CE1-CD1 3.76Å; F172-L206 HydrophobicContact CZ-CD1 4.42Å; F172-I209 HydrophobicContact CE1-CD1 4.32Å; F172-I209 HydrophobicContact CE1-CG2 4.2Å; F172-I209 HydrophobicContact CZ-CG2 4.46Å
173	E	87.1	Confident	89.4	Confident	36 Å²	36	47 Å²	47	17%	0.168	24%	0.237	C	C	.	.	H	α-helix	trans	-64.5	-27.8	178.8	-78.9	-155.8	-146.4	0	0	114.8	N171 V200 S201 R205 I209	N171-E173 VanDerWaalsContact C-N 3.32Å; N171-E173 PolarHBondContact O-N 2.78Å; E173-V200 HydrophobicContact CG-CG1 4.09Å; E173-S201 WeakPolarHBondContact OE1-CB 3.49Å; E173-S201 PolarHBondContact OE1-N 3.15Å; E173-S201 PolarHBondContact OE1-OG 3.18Å; E173-R205 IonicContact OE2-NE 3.34Å; E173-I209 HydrophobicContact CG-CD1 4.26Å
174	D	89.1	Confident	89.4	Confident	70 Å²	70	46 Å²	46	37%	0.374	23%	0.228	S	C	.	.	H	α-helix	trans	-83.9	-38.4	175.6	-64.5	-45.6	0	0	0	110.3	V142 N171 F172 A176 R177	V142-D174 HydrophobicContact CG1-CB 3.98Å; V142-D174 HydrophobicContact CG2-CB 4.42Å; N171-D174 PolarHBondContact O-N 2.87Å; F172-D174 VanDerWaalsContact C-N 3.28Å; F172-D174 PolarHBondContact O-N 3.48Å; D174-A176 VanDerWaalsContact C-N 3.28Å; D174-A176 PolarHBondContact O-N 3.43Å; D174-R177 WeakPolarHBondContact O-CB 3.42Å; D174-R177 PolarHBondContact O-N 2.91Å; D174-R177 VanDerWaalsContact O-N 3.1Å; D174-R177 IonicContact OD1-CZ 2.69Å; D174-R177 IonicContact OD1-NH1 2.79Å; D174-R177 PolarHBondContact OD1-NH1 3.19Å; D174-R177 IonicContact OD1-NH2 3.54Å; D174-R177 PolarHBondContact OD1-NH2 3.3Å
175	I	92	Very high	89.1	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-60.6	-39.8	173.1	-64.3	168.8	0	0	0	110.6	V142 V145 L146 I168 N171 F172 R177 T178 F181	V142-I175 HydrophobicContact CB-CG1 4.5Å; V142-I175 HydrophobicContact CG1-CB 4.37Å; V142-I175 HydrophobicContact CG1-CG1 3.71Å; V145-I175 HydrophobicContact CG1-CD1 3.64Å; V145-I175 HydrophobicContact CG1-CG1 4.18Å; L146-I175 HydrophobicContact CD1-CG2 3.51Å; L146-I175 HydrophobicContact CD2-CG2 4.46Å; L146-I175 HydrophobicContact CG-CG2 3.91Å; I168-I175 HydrophobicContact CB-CD1 4.09Å; I168-I175 HydrophobicContact CG1-CD1 3.98Å; I168-I175 HydrophobicContact CG2-CD1 4.18Å; N171-I175 HydrophobicContact CB-CD1 4.31Å; N171-I175 WeakPolarHBondContact O-CG1 3.37Å; N171-I175 PolarHBondContact O-N 2.7Å; N171-I175 VanDerWaalsContact O-N 3.1Å; F172-I175 PolarHBondContact O-N 3.34Å; I175-R177 PolarHBondContact O-N 3.4Å; I175-T178 WeakPolarHBondContact O-CB 3.22Å; I175-T178 PolarHBondContact O-N 3.02Å; I175-T178 PolarHBondContact O-OG1 2.99Å; I175-F181 HydrophobicContact CG2-CB 4.38Å; I175-F181 WeakPolarHBondContact O-CB 3.27Å
176	A	91	Very high	88.9	Confident	8 Å²	8	50.7 Å²	50.7	7%	0.066	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-6.7	176.3	0	0	0	0	0	114.9	F172 D174 F181 I209	F172-A176 VanDerWaalsContact O-CB 3.25Å; F172-A176 WeakPolarHBondContact O-CB 3.34Å; F172-A176 PolarHBondContact O-N 3.27Å; D174-A176 VanDerWaalsContact C-N 3.28Å; D174-A176 PolarHBondContact O-N 3.43Å; A176-F181 HydrophobicContact CB-CD1 4.29Å; A176-F181 HydrophobicContact CB-CE1 4.18Å; A176-F181 HydrophobicContact CB-CE2 4.47Å; A176-F181 HydrophobicContact CB-CG 4.48Å; A176-F181 HydrophobicContact CB-CZ 4.28Å; A176-I209 HydrophobicContact CB-CD1 3.96Å; A176-I209 HydrophobicContact CB-CG1 4.12Å; A176-I209 HydrophobicContact CB-CG2 3.73Å
177	R	90.1	Very high	88.8	Confident	151 Å²	151	50.1 Å²	50.1	57%	0.57	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.8	-8.6	172.5	-54.7	179.9	-164.5	129.8	14.8	113.2	D174 I175	D174-R177 WeakPolarHBondContact O-CB 3.42Å; D174-R177 PolarHBondContact O-N 2.91Å; D174-R177 VanDerWaalsContact O-N 3.1Å; D174-R177 IonicContact OD1-CZ 2.69Å; D174-R177 IonicContact OD1-NH1 2.79Å; D174-R177 PolarHBondContact OD1-NH1 3.19Å; D174-R177 IonicContact OD1-NH2 3.54Å; D174-R177 PolarHBondContact OD1-NH2 3.3Å; I175-R177 PolarHBondContact O-N 3.4Å
178	T	89.5	Confident	88.8	Confident	11 Å²	11	49 Å²	49	7%	0.067	25%	0.247	C	C	.	.	S	Bend	trans	-81.6	152.2	-178.7	66.7	0	0	0	0	112.1	V142 I175 S180 F181 F182	V142-T178 HydrophobicContact CG1-CG2 3.75Å; I175-T178 WeakPolarHBondContact O-CB 3.22Å; I175-T178 PolarHBondContact O-N 3.02Å; I175-T178 PolarHBondContact O-OG1 2.99Å; T178-S180 PolarHBondContact O-N 3.37Å; T178-F181 PolarHBondContact O-N 3.47Å; T178-F181 PolarHBondContact OG1-N 3.07Å; T178-F182 WeakPolarHBondContact O-CD2 3.46Å
179	V	87.9	Confident	88.8	Confident	102 Å²	102	49 Å²	49	62%	0.618	25%	0.247	S	C	*	.	H	α-helix	trans	-60.4	-36	171.1	-175.9	0	0	0	0	110.9	F181 F182 N183	V179-F181 PolarHBondContact O-N 3.11Å; V179-F182 PolarHBondContact O-N 3.36Å; V179-F182 VanDerWaalsContact O-N 3.1Å; V179-N183 PolarHBondContact O-N 3.31Å; V179-N183 VanDerWaalsContact O-N 3.08Å
180	S	87.3	Confident	88.8	Confident	31 Å²	31	48.3 Å²	48.3	22%	0.217	25%	0.245	C	C	.	.	H	α-helix	trans	-54.2	-38	176.1	-52.8	0	0	0	0	112.8	D143 T178 N183	D143-S180 PolarHBondContact O-OG 3.25Å; D143-S180 VanDerWaalsContact O-OG 3.06Å; T178-S180 PolarHBondContact O-N 3.37Å; S180-N183 PolarHBondContact O-N 3.05Å
181	F	91.5	Very high	89	Confident	1 Å²	1	46.4 Å²	46.4	0%	0.004	24%	0.239	C	C	.	.	H	α-helix	trans	-71	-40.8	176.4	176.7	-97.3	0	0	0	113	L146 F172 I175 A176 T178 V179 N183 L184 L189 I209 W213	L146-F181 HydrophobicContact CD1-CB 4.07Å; F172-F181 HydrophobicContact CE2-CD2 4.42Å; F172-F181 AromaticContact CE2-CE2 3.72Å; F172-F181 HydrophobicContact CE2-CE2 3.72Å; F172-F181 AromaticContact CZ-CE2 3.7Å; F172-F181 HydrophobicContact CZ-CE2 3.7Å; F172-F181 HydrophobicContact CZ-CZ 4.11Å; I175-F181 HydrophobicContact CG2-CB 4.38Å; I175-F181 WeakPolarHBondContact O-CB 3.27Å; A176-F181 HydrophobicContact CB-CD1 4.29Å; A176-F181 HydrophobicContact CB-CE1 4.18Å; A176-F181 HydrophobicContact CB-CE2 4.47Å; A176-F181 HydrophobicContact CB-CG 4.48Å; A176-F181 HydrophobicContact CB-CZ 4.28Å; T178-F181 PolarHBondContact O-N 3.47Å; T178-F181 PolarHBondContact OG1-N 3.07Å; V179-F181 PolarHBondContact O-N 3.11Å; F181-N183 PolarHBondContact O-N 3.41Å; F181-L184 HydrophobicContact CD2-CD1 3.71Å; F181-L184 HydrophobicContact CE2-CD1 4.2Å; F181-L184 HydrophobicContact CG-CD1 4.41Å; F181-L184 WeakPolarHBondContact O-CB 3.15Å; F181-L184 PolarHBondContact O-N 2.86Å; F181-L189 HydrophobicContact CE2-CD1 3.59Å; F181-L189 HydrophobicContact CZ-CD1 3.7Å; F181-I209 HydrophobicContact CE1-CG2 3.83Å; F181-I209 HydrophobicContact CZ-CG2 3.6Å; F181-W213 HydrophobicContact CE1-CB 4.11Å; F181-W213 HydrophobicContact CE1-CG 4.45Å
182	F	90.2	Very high	89.1	Confident	32 Å²	32	44.7 Å²	44.7	14%	0.14	23%	0.229	C	C	.	.	H	α-helix	trans	-68.2	-19.1	176.3	-67.4	-73.3	0	0	0	113.1	T178 V179 F216 R290	T178-F182 WeakPolarHBondContact O-CD2 3.46Å; V179-F182 PolarHBondContact O-N 3.36Å; V179-F182 VanDerWaalsContact O-N 3.1Å; F182-F216 HydrophobicContact CB-CD1 3.97Å; F182-F216 HydrophobicContact CB-CD2 4.09Å; F182-F216 HydrophobicContact CB-CE1 3.9Å; F182-F216 HydrophobicContact CB-CE2 4.02Å; F182-F216 HydrophobicContact CB-CG 4.06Å; F182-F216 HydrophobicContact CB-CZ 3.92Å; F182-F216 HydrophobicContact CD1-CB 3.83Å; F182-F216 HydrophobicContact CD1-CD1 4.42Å; F182-F216 AromaticContact CD1-CD2 3.59Å; F182-F216 HydrophobicContact CD1-CD2 3.59Å; F182-F216 HydrophobicContact CD1-CE2 4.23Å; F182-F216 AromaticContact CD1-CG 3.69Å; F182-F216 HydrophobicContact CD1-CG 3.69Å; F182-F216 HydrophobicContact CD2-CD2 4.46Å; F182-F216 HydrophobicContact CD2-CE2 4.37Å; F182-F216 HydrophobicContact CE1-CB 4.41Å; F182-F216 HydrophobicContact CE1-CD2 4.14Å; F182-F216 HydrophobicContact CE1-CG 4.49Å; F182-F216 HydrophobicContact CG-CD1 4.49Å; F182-F216 AromaticContact CG-CD2 3.78Å; F182-F216 HydrophobicContact CG-CD2 3.78Å; F182-F216 AromaticContact CG-CE2 3.94Å; F182-F216 HydrophobicContact CG-CE2 3.94Å; F182-F216 HydrophobicContact CG-CG 4.07Å; F182-F216 HydrophobicContact CG-CZ 4.36Å; F182-R290 VanDerWaalsContact O-CZ 3.3Å; F182-R290 PolarHBondContact O-NH1 3.03Å; F182-R290 PolarHBondContact O-NH2 2.94Å
183	N	87.1	Confident	89.1	Confident	107 Å²	107	44.7 Å²	44.7	57%	0.572	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.4	-8.7	175.5	-71.1	-10.3	0	0	0	114.5	V179 S180 F181	V179-N183 PolarHBondContact O-N 3.31Å; V179-N183 VanDerWaalsContact O-N 3.08Å; S180-N183 PolarHBondContact O-N 3.05Å; F181-N183 PolarHBondContact O-N 3.41Å
184	L	88	Confident	89.1	Confident	10 Å²	10	48.4 Å²	48.4	5%	0.052	25%	0.247	C	C	.	.	S	Bend	trans	-58.9	143.1	175.3	-70.3	171.8	0	0	0	111.5	L146 F181 E188 L192 W213	L146-L184 HydrophobicContact CD1-CD1 3.92Å; L146-L184 HydrophobicContact CD1-CD2 4.24Å; L146-L184 HydrophobicContact CD1-CG 4.13Å; L146-L184 HydrophobicContact CD2-CD1 4.36Å; L146-L184 HydrophobicContact CD2-CD2 4.24Å; F181-L184 HydrophobicContact CD2-CD1 3.71Å; F181-L184 HydrophobicContact CE2-CD1 4.2Å; F181-L184 HydrophobicContact CG-CD1 4.41Å; F181-L184 WeakPolarHBondContact O-CB 3.15Å; F181-L184 PolarHBondContact O-N 2.86Å; L184-E188 WeakPolarHBondContact CA-OE2 3.49Å; L184-E188 HydrophobicContact CD2-CB 4.23Å; L184-L192 HydrophobicContact CD1-CD1 3.84Å; L184-W213 WeakPolarHBondContact O-CZ2 3.26Å; L184-W213 PolarHBondContact O-NE1 3.27Å
185	E	86.8	Confident	88.8	Confident	134 Å²	134	46 Å²	46	63%	0.626	24%	0.236	S	C	*	.			trans	-70.2	152.7	169.2	-64	-164.5	171.4	0	0	111.2	C187 E188 L189	E185-C187 PolarHBondContact O-N 2.83Å; E185-C187 VanDerWaalsContact O-N 3.12Å; E185-E188 HydrophobicContact CB-CG 4.18Å; E185-E188 PolarHBondContact N-OE2 3.23Å; E185-E188 PolarHBondContact O-N 3.13Å; E185-E188 VanDerWaalsContact O-N 3.11Å; E185-L189 PolarHBondContact O-N 3.31Å
186	G	86.7	Confident	88.1	Confident	5 Å²	5	48.3 Å²	48.3	5%	0.052	25%	0.248	C	C	.	.	H	α-helix	trans	-58.4	-29.2	179.7	0	0	0	0	0	113.4	M190	G186-M190 WeakPolarHBondContact O-CB 3.31Å; G186-M190 WeakPolarHBondContact O-CE 3.25Å; G186-M190 VanDerWaalsContact O-CG 3.25Å; G186-M190 WeakPolarHBondContact O-CG 3.39Å; G186-M190 PolarHBondContact O-N 3.25Å
187	C	88.2	Confident	87.3	Confident	77 Å²	77	52 Å²	52	52%	0.52	26%	0.264	S	S	.	.	H	α-helix	trans	-71.3	-45.5	174.9	-65	0	0	0	0	112.7	E185 L189 M190 E191	E185-C187 PolarHBondContact O-N 2.83Å; E185-C187 VanDerWaalsContact O-N 3.12Å; C187-L189 VanDerWaalsContact C-N 3.33Å; C187-L189 PolarHBondContact O-N 3.14Å; C187-M190 HydrophobicContact CB-CE 4.5Å; C187-M190 PolarHBondContact O-N 2.99Å; C187-E191 PolarHBondContact O-N 3.09Å
188	E	88.8	Confident	87	Confident	37 Å²	37	44.8 Å²	44.8	17%	0.173	24%	0.237	C	C	.	.	H	α-helix	trans	-63.1	-40.4	176.7	-59.8	176.4	123	0	0	111.4	N150 L184 E185 E191 L192	N150-E188 PolarHBondContact ND2-OE1 3.38Å; L184-E188 WeakPolarHBondContact CA-OE2 3.49Å; L184-E188 HydrophobicContact CD2-CB 4.23Å; E185-E188 HydrophobicContact CB-CG 4.18Å; E185-E188 PolarHBondContact N-OE2 3.23Å; E185-E188 PolarHBondContact O-N 3.13Å; E185-E188 VanDerWaalsContact O-N 3.11Å; E188-E191 PolarHBondContact O-N 2.99Å; E188-L192 WeakPolarHBondContact O-CG 3.32Å; E188-L192 PolarHBondContact O-N 3.41Å
189	L	91.7	Very high	86.5	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-65	-41.8	175.3	179.9	60.2	0	0	0	111.3	F181 E185 C187 E191 L192 L193 W213 L297	F181-L189 HydrophobicContact CE2-CD1 3.59Å; F181-L189 HydrophobicContact CZ-CD1 3.7Å; E185-L189 PolarHBondContact O-N 3.31Å; C187-L189 VanDerWaalsContact C-N 3.33Å; C187-L189 PolarHBondContact O-N 3.14Å; L189-E191 VanDerWaalsContact C-N 3.34Å; L189-E191 PolarHBondContact O-N 3.24Å; L189-L192 PolarHBondContact O-N 3Å; L189-L193 HydrophobicContact CD1-CD1 3.93Å; L189-L193 HydrophobicContact CD1-CG 3.99Å; L189-L193 HydrophobicContact CD2-CD1 4.46Å; L189-L193 HydrophobicContact CG-CD1 3.77Å; L189-L193 HydrophobicContact CG-CG 4.29Å; L189-L193 WeakPolarHBondContact O-CB 3.34Å; L189-L193 WeakPolarHBondContact O-CD1 3.2Å; L189-L193 WeakPolarHBondContact O-CG 3.31Å; L189-L193 PolarHBondContact O-N 2.91Å; L189-W213 HydrophobicContact CD2-CB 4.2Å; L189-W213 HydrophobicContact CD2-CD2 3.42Å; L189-W213 VanDerWaalsContact CD2-CD2 3.42Å; L189-W213 HydrophobicContact CD2-CE3 3.8Å; L189-W213 HydrophobicContact CD2-CG 3.59Å; L189-W213 HydrophobicContact CD2-CZ2 4.33Å; L189-W213 HydrophobicContact CD2-CZ3 4.41Å; L189-L297 HydrophobicContact CD2-CD1 4.48Å; L189-L297 HydrophobicContact CD2-CD2 3.93Å; L189-L297 HydrophobicContact CG-CD2 3.96Å
190	M	90.3	Very high	86.1	Confident	25 Å²	25	40.7 Å²	40.7	12%	0.123	21%	0.211	C	C	.	.	H	α-helix	trans	-60	-41.9	175.3	-81.8	-173.8	-57.8	0	0	112.4	G186 C187 L193 E194 F293 C296 L297 R300	G186-M190 WeakPolarHBondContact O-CB 3.31Å; G186-M190 WeakPolarHBondContact O-CE 3.25Å; G186-M190 VanDerWaalsContact O-CG 3.25Å; G186-M190 WeakPolarHBondContact O-CG 3.39Å; G186-M190 PolarHBondContact O-N 3.25Å; C187-M190 HydrophobicContact CB-CE 4.5Å; C187-M190 PolarHBondContact O-N 2.99Å; M190-L193 PolarHBondContact O-N 3.4Å; M190-E194 WeakPolarHBondContact O-CG 3.47Å; M190-E194 PolarHBondContact O-N 2.98Å; M190-E194 VanDerWaalsContact O-N 3.14Å; M190-F293 HydrophobicContact CE-CD1 3.88Å; M190-F293 HydrophobicContact CE-CE1 4.18Å; M190-F293 HydrophobicContact SD-CD1 4.49Å; M190-C296 HydrophobicContact SD-CB 3.48Å; M190-C296 WeakPolarHBondContact SD-CB 3.37Å; M190-L297 HydrophobicContact CG-CD2 3.73Å; M190-L297 HydrophobicContact CG-CG 4.43Å; M190-R300 WeakPolarHBondContact O-CD 3.13Å; M190-R300 PolarHBondContact O-NE 3.27Å; M190-R300 PolarHBondContact SD-NH1 2.97Å
191	E	88.5	Confident	85.5	Confident	99 Å²	99	41.3 Å²	41.3	46%	0.463	22%	0.215	S	C	.	.	H	α-helix	trans	-62.7	-49.3	176	-175.5	-171.9	-140	0	0	111.6	R149 C187 E188 L189 L193 E194	R149-E191 IonicContact CZ-OE2 3.54Å; R149-E191 IonicContact NH1-OE2 3.14Å; R149-E191 IonicContact NH2-OE1 3.84Å; R149-E191 IonicContact NH2-OE2 3.33Å; R149-E191 PolarHBondContact NH2-OE2 2.8Å; C187-E191 PolarHBondContact O-N 3.09Å; E188-E191 PolarHBondContact O-N 2.99Å; L189-E191 VanDerWaalsContact C-N 3.34Å; L189-E191 PolarHBondContact O-N 3.24Å; E191-L193 VanDerWaalsContact C-N 3.26Å; E191-L193 PolarHBondContact O-N 3.36Å; E191-E194 PolarHBondContact O-N 2.97Å; E191-E194 VanDerWaalsContact O-N 3.12Å
192	L	89.6	Confident	84.7	Confident	1 Å²	1	42.9 Å²	42.9	1%	0.005	23%	0.226	C	C	.	.	H	α-helix	trans	-59	-37	176.1	-73.1	174.3	0	0	0	112.5	L146 I168 Y169 L184 E188 L189 E194 S195	L146-L192 HydrophobicContact CD2-CD1 4.17Å; I168-L192 HydrophobicContact CG2-CD2 3.9Å; Y169-L192 HydrophobicContact CE1-CD2 4.08Å; L184-L192 HydrophobicContact CD1-CD1 3.84Å; E188-L192 WeakPolarHBondContact O-CG 3.32Å; E188-L192 PolarHBondContact O-N 3.41Å; L189-L192 PolarHBondContact O-N 3Å; L192-E194 VanDerWaalsContact C-N 3.34Å; L192-S195 PolarHBondContact O-N 2.62Å
193	L	89.6	Confident	84.4	Confident	1 Å²	1	42.2 Å²	42.2	1%	0.005	22%	0.223	C	C	.	.	H	α-helix	trans	-75.9	-15	179.1	-69.7	172.7	0	0	0	114	F172 L189 M190 E191 S195 L198 L206 I210 L297 R300 R353	F172-L193 HydrophobicContact CZ-CD2 4.15Å; L189-L193 HydrophobicContact CD1-CD1 3.93Å; L189-L193 HydrophobicContact CD1-CG 3.99Å; L189-L193 HydrophobicContact CD2-CD1 4.46Å; L189-L193 HydrophobicContact CG-CD1 3.77Å; L189-L193 HydrophobicContact CG-CG 4.29Å; L189-L193 WeakPolarHBondContact O-CB 3.34Å; L189-L193 WeakPolarHBondContact O-CD1 3.2Å; L189-L193 WeakPolarHBondContact O-CG 3.31Å; L189-L193 PolarHBondContact O-N 2.91Å; M190-L193 PolarHBondContact O-N 3.4Å; E191-L193 VanDerWaalsContact C-N 3.26Å; E191-L193 PolarHBondContact O-N 3.36Å; L193-S195 VanDerWaalsContact C-N 3.34Å; L193-L198 HydrophobicContact CD2-CD2 4Å; L193-L206 HydrophobicContact CD2-CD1 3.48Å; L193-L206 VanDerWaalsContact CD2-CD1 3.48Å; L193-L206 HydrophobicContact CD2-CD2 4.22Å; L193-L206 HydrophobicContact CD2-CG 4.14Å; L193-I210 HydrophobicContact CD1-CD1 3.69Å; L193-I210 HydrophobicContact CD1-CG1 3.84Å; L193-I210 HydrophobicContact CD2-CD1 4.05Å; L193-I210 HydrophobicContact CD2-CG1 4.37Å; L193-L297 HydrophobicContact CD1-CD2 3.56Å; L193-R300 HydrophobicContact CB-CB 4.08Å; L193-R353 VanDerWaalsContact O-CZ 3.28Å; L193-R353 PolarHBondContact O-NH1 3.17Å; L193-R353 PolarHBondContact O-NH2 3.01Å
194	E	86.5	Confident	84.3	Confident	114 Å²	114	39.4 Å²	39.4	53%	0.533	21%	0.207	S	C	.	.	H	α-helix	trans	-76.5	-22.4	173.7	-79.9	168.6	-141.3	0	0	112.9	M190 E191 L192 D196 R300	M190-E194 WeakPolarHBondContact O-CG 3.47Å; M190-E194 PolarHBondContact O-N 2.98Å; M190-E194 VanDerWaalsContact O-N 3.14Å; E191-E194 PolarHBondContact O-N 2.97Å; E191-E194 VanDerWaalsContact O-N 3.12Å; L192-E194 VanDerWaalsContact C-N 3.34Å; E194-D196 PolarHBondContact O-N 3.29Å; E194-R300 HydrophobicContact CG-CG 4.17Å; E194-R300 IonicContact OE1-CZ 3.19Å; E194-R300 IonicContact OE1-NE 2.71Å; E194-R300 PolarHBondContact OE1-NE 3.08Å; E194-R300 IonicContact OE1-NH2 3.48Å; E194-R300 PolarHBondContact OE1-NH2 2.98Å
195	S	83.4	Confident	84.3	Confident	20 Å²	20	42.5 Å²	42.5	14%	0.14	22%	0.218	C	C	.	.			trans	-65.8	121.2	-176.2	-176.4	0	0	0	0	113.5	Y169 L192 L193 E197 L198 R353	Y169-S195 VanDerWaalsContact CE1-CB 3.43Å; Y169-S195 WeakPolarHBondContact CE1-OG 3.42Å; L192-S195 PolarHBondContact O-N 2.62Å; L193-S195 VanDerWaalsContact C-N 3.34Å; S195-E197 PolarHBondContact O-N 3.36Å; S195-E197 WeakPolarHBondContact OG-CB 3.42Å; S195-E197 PolarHBondContact OG-N 3.46Å; S195-L198 WeakPolarHBondContact O-CB 3.49Å; S195-L198 PolarHBondContact O-N 3.4Å; S195-R353 PolarHBondContact O-NH1 3.04Å
196	D	77	Confident	84.4	Confident	48 Å²	48	36.1 Å²	36.1	26%	0.257	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-25.8	171.2	-81.5	-5.5	0	0	0	112	E194 L198 R302 R353 R354	E194-D196 PolarHBondContact O-N 3.29Å; D196-L198 VanDerWaalsContact C-N 3.29Å; D196-L198 PolarHBondContact O-N 2.71Å; D196-R302 IonicContact OD1-CZ 3.1Å; D196-R302 IonicContact OD1-NH2 3.94Å; D196-R302 PolarHBondContact OD1-NH2 3.1Å; D196-R353 WeakPolarHBondContact O-CA 3.36Å; D196-R354 PolarHBondContact O-N 3.16Å
197	E	75.7	Confident	84.7	Confident	86 Å²	86	36 Å²	36	40%	0.402	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-10.6	-177.7	-63.4	-63.2	127.5	0	0	114.3	Y169 S195 N199 R354	Y169-E197 HydrophobicContact CD2-CB 3.91Å; Y169-E197 HydrophobicContact CG-CB 4.14Å; S195-E197 PolarHBondContact O-N 3.36Å; S195-E197 WeakPolarHBondContact OG-CB 3.42Å; S195-E197 PolarHBondContact OG-N 3.46Å; E197-N199 PolarHBondContact O-N 3.05Å; E197-N199 VanDerWaalsContact O-N 3.13Å; E197-R354 WeakPolarHBondContact OE2-CD 3.2Å; E197-R354 IonicContact OE2-CZ 2.72Å; E197-R354 IonicContact OE2-NE 3.06Å; E197-R354 IonicContact OE2-NH1 3.73Å; E197-R354 PolarHBondContact OE2-NH1 3.11Å
198	L	83.6	Confident	84.8	Confident	0 Å²	0	35 Å²	35	0%	0	18%	0.175	C	C	.	.			trans	-62.2	109.3	-175.6	-167.1	78.6	0	0	0	112.2	Y169 F172 L193 S195 D196 V200 L206 R353	Y169-L198 HydrophobicContact CD1-CD1 3.79Å; Y169-L198 HydrophobicContact CE1-CD1 4.42Å; F172-L198 HydrophobicContact CB-CD1 3.87Å; F172-L198 HydrophobicContact CB-CG 4.31Å; F172-L198 HydrophobicContact CD1-CD1 4.08Å; F172-L198 HydrophobicContact CD1-CD2 4.13Å; F172-L198 HydrophobicContact CD1-CG 4.09Å; F172-L198 HydrophobicContact CD2-CD1 3.42Å; F172-L198 VanDerWaalsContact CD2-CD1 3.42Å; F172-L198 HydrophobicContact CD2-CG 4.31Å; F172-L198 HydrophobicContact CE1-CD1 4.48Å; F172-L198 HydrophobicContact CE1-CD2 4.02Å; F172-L198 HydrophobicContact CE1-CG 4.47Å; F172-L198 HydrophobicContact CE2-CD1 3.86Å; F172-L198 HydrophobicContact CE2-CD2 4.49Å; F172-L198 HydrophobicContact CG-CD1 3.51Å; F172-L198 HydrophobicContact CG-CD2 4.39Å; F172-L198 HydrophobicContact CG-CG 3.97Å; F172-L198 HydrophobicContact CZ-CD1 4.37Å; F172-L198 HydrophobicContact CZ-CD2 4.19Å; L193-L198 HydrophobicContact CD2-CD2 4Å; S195-L198 WeakPolarHBondContact O-CB 3.49Å; S195-L198 PolarHBondContact O-N 3.4Å; D196-L198 VanDerWaalsContact C-N 3.29Å; D196-L198 PolarHBondContact O-N 2.71Å; L198-V200 HydrophobicContact CD2-CG2 4.01Å; L198-V200 HydrophobicContact CG-CG2 3.99Å; L198-V200 PolarHBondContact O-N 3.36Å; L198-L206 HydrophobicContact CD2-CD1 4.18Å; L198-R353 HydrophobicContact CB-CG 4.06Å; L198-R353 WeakPolarHBondContact O-CD 3.28Å; L198-R353 WeakPolarHBondContact O-CG 3.45Å
199	N	77.5	Confident	84.9	Confident	22 Å²	22	33.4 Å²	33.4	12%	0.118	17%	0.168	C	C	.	.			trans	-78.5	105.6	-178.5	174.9	39	0	0	0	111.5	Y169 K170 E197 R354 C355 Q356	Y169-N199 WeakPolarHBondContact O-CB 3.13Å; Y169-N199 PolarHBondContact O-N 3.1Å; K170-N199 PolarHBondContact O-ND2 3.05Å; E197-N199 PolarHBondContact O-N 3.05Å; E197-N199 VanDerWaalsContact O-N 3.13Å; N199-R354 VanDerWaalsContact CA-O 3.28Å; N199-R354 WeakPolarHBondContact CA-O 3.13Å; N199-R354 WeakPolarHBondContact CB-O 3.33Å; N199-C355 WeakPolarHBondContact OD1-CA 3.43Å; N199-Q356 PolarHBondContact ND2-NE2 3.22Å; N199-Q356 PolarHBondContact OD1-N 3.4Å
200	V	79.4	Confident	85	Confident	5 Å²	5	33.5 Å²	33.5	3%	0.03	17%	0.169	C	C	.	.			trans	-134.9	138.5	175.9	-163.8	0	0	0	0	108.9	F172 E173 L198 S202 R205 L206 C355	F172-V200 HydrophobicContact CD1-CG2 3.83Å; F172-V200 HydrophobicContact CE1-CG2 4.36Å; E173-V200 HydrophobicContact CG-CG1 4.09Å; L198-V200 HydrophobicContact CD2-CG2 4.01Å; L198-V200 HydrophobicContact CG-CG2 3.99Å; L198-V200 PolarHBondContact O-N 3.36Å; V200-S202 VanDerWaalsContact C-N 3.26Å; V200-S202 WeakPolarHBondContact CG1-O 3.33Å; V200-S202 PolarHBondContact O-N 3.09Å; V200-R205 HydrophobicContact CG1-CB 4.13Å; V200-R205 HydrophobicContact CG1-CG 4.23Å; V200-L206 HydrophobicContact CG1-CB 4.21Å; V200-L206 HydrophobicContact CG2-CD1 4.17Å; V200-C355 PolarHBondContact O-SG 3.37Å; V200-C355 VanDerWaalsContact O-SG 3.4Å
201	S	75.4	Confident	85.1	Confident	44 Å²	44	32.7 Å²	32.7	31%	0.308	17%	0.165	S	C	.	.	S	Bend	trans	-60.8	-30.1	-177.6	54.7	0	0	0	0	114.3	E173	E173-S201 WeakPolarHBondContact OE1-CB 3.49Å; E173-S201 PolarHBondContact OE1-N 3.15Å; E173-S201 PolarHBondContact OE1-OG 3.18Å
202	S	75.7	Confident	85.2	Confident	33 Å²	33	30.7 Å²	30.7	23%	0.231	16%	0.162	C	C	.	.			trans	-162.1	159.2	172.3	61.1	0	0	0	0	111.7	V200 E204 R205 L206	V200-S202 VanDerWaalsContact C-N 3.26Å; V200-S202 WeakPolarHBondContact CG1-O 3.33Å; V200-S202 PolarHBondContact O-N 3.09Å; S202-E204 PolarHBondContact O-N 3.17Å; S202-R205 PolarHBondContact O-N 2.77Å; S202-R205 VanDerWaalsContact O-N 3.1Å; S202-R205 WeakPolarHBondContact OG-CB 3.26Å; S202-R205 PolarHBondContact OG-N 3.01Å; S202-L206 PolarHBondContact O-N 3.39Å
203	E	83.8	Confident	85.4	Confident	18 Å²	18	30.9 Å²	30.9	8%	0.084	16%	0.162	C	C	.	.	H	α-helix	trans	-67	-23.4	169.4	-63.9	-78	161	0	0	111.4	L206 F207 I301 R302 L305 I306 R353	E203-L206 PolarHBondContact O-N 3.26Å; E203-F207 PolarHBondContact O-N 2.8Å; E203-I301 HydrophobicContact CB-CG2 4.26Å; E203-R302 HydrophobicContact CG-CB 4.17Å; E203-R302 IonicContact OE1-CZ 2.71Å; E203-R302 IonicContact OE1-NH1 3.19Å; E203-R302 PolarHBondContact OE1-NH1 3.34Å; E203-R302 PolarHBondContact OE2-N 3.23Å; E203-L305 HydrophobicContact CG-CB 4.42Å; E203-I306 HydrophobicContact CB-CD1 3.99Å; E203-I306 HydrophobicContact CB-CG1 3.58Å; E203-R353 IonicContact OE1-NE 2.77Å; E203-R353 PolarHBondContact OE1-NE 2.88Å; E203-R353 IonicContact OE2-NE 2.71Å
204	E	84.8	Confident	85.5	Confident	49 Å²	49	31.3 Å²	31.3	23%	0.229	17%	0.165	C	C	.	.	H	α-helix	trans	-60.6	-45.5	166.5	-60.6	169.7	148	0	0	110.8	S202 L206 F207 D208 I306 P307 Y310	S202-E204 PolarHBondContact O-N 3.17Å; E204-L206 VanDerWaalsContact C-N 3.32Å; E204-L206 PolarHBondContact O-N 3.35Å; E204-F207 WeakPolarHBondContact O-CB 3.47Å; E204-F207 PolarHBondContact O-N 3.35Å; E204-D208 PolarHBondContact O-N 3.12Å; E204-D208 VanDerWaalsContact O-N 3.11Å; E204-I306 HydrophobicContact CG-CG2 3.92Å; E204-P307 WeakPolarHBondContact OE1-CD 3.5Å; E204-P307 WeakPolarHBondContact OE1-CG 3.33Å; E204-Y310 HydrophobicContact CB-CD1 4.49Å; E204-Y310 HydrophobicContact CB-CE1 4.16Å; E204-Y310 HydrophobicContact CB-CE2 4.2Å; E204-Y310 HydrophobicContact CG-CD1 3.98Å; E204-Y310 HydrophobicContact CG-CD2 4.03Å; E204-Y310 HydrophobicContact CG-CE1 4.17Å; E204-Y310 HydrophobicContact CG-CE2 4.21Å; E204-Y310 HydrophobicContact CG-CG 3.93Å; E204-Y310 WeakPolarHBondContact OE1-CD2 3.49Å
205	R	86.3	Confident	85.5	Confident	74 Å²	74	31 Å²	31	28%	0.279	16%	0.164	S	C	.	.	H	α-helix	trans	-69	-33.6	178.6	-176	62.2	-168.2	141.1	9.7	111.9	E173 V200 S202 F207 D208 I209	E173-R205 IonicContact OE2-NE 3.34Å; V200-R205 HydrophobicContact CG1-CB 4.13Å; V200-R205 HydrophobicContact CG1-CG 4.23Å; S202-R205 PolarHBondContact O-N 2.77Å; S202-R205 VanDerWaalsContact O-N 3.1Å; S202-R205 WeakPolarHBondContact OG-CB 3.26Å; S202-R205 PolarHBondContact OG-N 3.01Å; R205-F207 VanDerWaalsContact C-N 3.34Å; R205-D208 IonicContact NH1-OD2 2.71Å; R205-D208 PolarHBondContact O-N 3.14Å; R205-I209 HydrophobicContact CG-CD1 4.21Å; R205-I209 VanDerWaalsContact O-CG1 3.31Å; R205-I209 WeakPolarHBondContact O-CG1 3.47Å; R205-I209 PolarHBondContact O-N 3Å; R205-I209 VanDerWaalsContact O-N 3.07Å
206	L	90.3	Very high	85.7	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-64.1	-39.9	173.1	-168.2	54.6	0	0	0	111.8	F172 L193 L198 V200 S202 E203 E204 I209 I210	F172-L206 HydrophobicContact CE1-CD1 3.76Å; F172-L206 HydrophobicContact CZ-CD1 4.42Å; L193-L206 HydrophobicContact CD2-CD1 3.48Å; L193-L206 VanDerWaalsContact CD2-CD1 3.48Å; L193-L206 HydrophobicContact CD2-CD2 4.22Å; L193-L206 HydrophobicContact CD2-CG 4.14Å; L198-L206 HydrophobicContact CD2-CD1 4.18Å; V200-L206 HydrophobicContact CG1-CB 4.21Å; V200-L206 HydrophobicContact CG2-CD1 4.17Å; S202-L206 PolarHBondContact O-N 3.39Å; E203-L206 PolarHBondContact O-N 3.26Å; E204-L206 VanDerWaalsContact C-N 3.32Å; E204-L206 PolarHBondContact O-N 3.35Å; L206-I209 PolarHBondContact O-N 3.49Å; L206-I210 HydrophobicContact CD1-CD1 4.39Å; L206-I210 HydrophobicContact CG-CD1 4.01Å; L206-I210 WeakPolarHBondContact O-CG1 3.47Å; L206-I210 PolarHBondContact O-N 3.36Å
207	F	91.7	Very high	85.2	Confident	4 Å²	4	39.6 Å²	39.6	2%	0.018	20%	0.199	C	C	.	.	H	α-helix	trans	-57.5	-51.2	171.5	177	-94.8	0	0	0	111.8	E203 E204 R205 I209 I210 M211 L298 I301 Y310 V314 I315 I321	E203-F207 PolarHBondContact O-N 2.8Å; E204-F207 WeakPolarHBondContact O-CB 3.47Å; E204-F207 PolarHBondContact O-N 3.35Å; R205-F207 VanDerWaalsContact C-N 3.34Å; F207-I209 VanDerWaalsContact C-N 3.29Å; F207-I209 PolarHBondContact O-N 3.15Å; F207-I210 PolarHBondContact O-N 2.95Å; F207-M211 HydrophobicContact CD1-CG 4.16Å; F207-M211 HydrophobicContact CD2-CG 4.41Å; F207-M211 HydrophobicContact CE1-CG 3.67Å; F207-M211 HydrophobicContact CE2-CG 3.94Å; F207-M211 HydrophobicContact CE2-SD 3.94Å; F207-M211 HydrophobicContact CG-CG 4.5Å; F207-M211 HydrophobicContact CZ-CG 3.54Å; F207-M211 HydrophobicContact CZ-SD 3.84Å; F207-M211 WeakPolarHBondContact O-CG 3.44Å; F207-M211 PolarHBondContact O-N 3.37Å; F207-L298 HydrophobicContact CD2-CD1 4.4Å; F207-L298 HydrophobicContact CE2-CD1 4.3Å; F207-I301 HydrophobicContact CB-CD1 3.91Å; F207-I301 HydrophobicContact CD2-CD1 3.71Å; F207-I301 HydrophobicContact CG-CD1 4.31Å; F207-Y310 HydrophobicContact CD1-CE1 4.29Å; F207-V314 HydrophobicContact CE1-CG1 4.43Å; F207-I315 HydrophobicContact CD1-CG1 4.17Å; F207-I315 HydrophobicContact CD2-CD1 4.07Å; F207-I315 HydrophobicContact CD2-CG1 4.11Å; F207-I315 HydrophobicContact CD2-CG2 4.31Å; F207-I315 HydrophobicContact CE1-CG1 4.04Å; F207-I315 HydrophobicContact CE2-CB 4.28Å; F207-I315 HydrophobicContact CE2-CD1 4.37Å; F207-I315 HydrophobicContact CE2-CG1 4Å; F207-I315 HydrophobicContact CE2-CG2 3.67Å; F207-I315 HydrophobicContact CG-CD1 4.21Å; F207-I315 HydrophobicContact CG-CG1 4.21Å; F207-I315 HydrophobicContact CZ-CB 4.22Å; F207-I315 HydrophobicContact CZ-CG1 3.96Å; F207-I315 HydrophobicContact CZ-CG2 4Å; F207-I321 HydrophobicContact CE2-CD1 3.52Å; F207-I321 HydrophobicContact CZ-CD1 3.64Å
208	D	90.8	Very high	84.4	Confident	54 Å²	54	39.7 Å²	39.7	29%	0.289	21%	0.205	S	C	.	.	H	α-helix	trans	-57.4	-41	178.1	-62.4	-22.7	0	0	0	112.5	E204 R205 S212 Y310	E204-D208 PolarHBondContact O-N 3.12Å; E204-D208 VanDerWaalsContact O-N 3.11Å; R205-D208 IonicContact NH1-OD2 2.71Å; R205-D208 PolarHBondContact O-N 3.14Å; D208-S212 WeakPolarHBondContact O-CB 3.25Å; D208-S212 PolarHBondContact O-N 3.07Å; D208-S212 PolarHBondContact O-OG 3.48Å; D208-Y310 PolarHBondContact OD1-OH 3.38Å
209	I	91.9	Very high	82.5	Confident	5 Å²	5	48.9 Å²	48.9	3%	0.026	25%	0.245	C	C	.	.	H	α-helix	trans	-64.7	-45.2	178.2	-72.1	166.2	0	0	0	110.8	F172 E173 A176 F181 R205 L206 F207 S212 W213	F172-I209 HydrophobicContact CE1-CD1 4.32Å; F172-I209 HydrophobicContact CE1-CG2 4.2Å; F172-I209 HydrophobicContact CZ-CG2 4.46Å; E173-I209 HydrophobicContact CG-CD1 4.26Å; A176-I209 HydrophobicContact CB-CD1 3.96Å; A176-I209 HydrophobicContact CB-CG1 4.12Å; A176-I209 HydrophobicContact CB-CG2 3.73Å; F181-I209 HydrophobicContact CE1-CG2 3.83Å; F181-I209 HydrophobicContact CZ-CG2 3.6Å; R205-I209 HydrophobicContact CG-CD1 4.21Å; R205-I209 VanDerWaalsContact O-CG1 3.31Å; R205-I209 WeakPolarHBondContact O-CG1 3.47Å; R205-I209 PolarHBondContact O-N 3Å; R205-I209 VanDerWaalsContact O-N 3.07Å; L206-I209 PolarHBondContact O-N 3.49Å; F207-I209 VanDerWaalsContact C-N 3.29Å; F207-I209 PolarHBondContact O-N 3.15Å; I209-S212 WeakPolarHBondContact O-CB 3.23Å; I209-S212 PolarHBondContact O-N 3.29Å; I209-W213 PolarHBondContact O-N 3.39Å
210	I	93.1	Very high	80.5	Confident	2 Å²	2	53.5 Å²	53.5	1%	0.01	28%	0.277	C	S	.	.	H	α-helix	trans	-63.8	-45.1	178.1	-75.5	162.7	0	0	0	110.9	L193 L206 F207 S212 W213 V214 L297 I301	L193-I210 HydrophobicContact CD1-CD1 3.69Å; L193-I210 HydrophobicContact CD1-CG1 3.84Å; L193-I210 HydrophobicContact CD2-CD1 4.05Å; L193-I210 HydrophobicContact CD2-CG1 4.37Å; L206-I210 HydrophobicContact CD1-CD1 4.39Å; L206-I210 HydrophobicContact CG-CD1 4.01Å; L206-I210 WeakPolarHBondContact O-CG1 3.47Å; L206-I210 PolarHBondContact O-N 3.36Å; F207-I210 PolarHBondContact O-N 2.95Å; I210-S212 VanDerWaalsContact C-N 3.32Å; I210-S212 PolarHBondContact O-N 3Å; I210-W213 PolarHBondContact O-N 3.09Å; I210-V214 WeakPolarHBondContact O-CG2 3.43Å; I210-V214 PolarHBondContact O-N 2.96Å; I210-L297 HydrophobicContact CG2-CB 3.76Å; I210-L297 HydrophobicContact CG2-CD1 4.21Å; I210-I301 HydrophobicContact CD1-CD1 3.61Å; I210-I301 HydrophobicContact CD1-CG1 3.43Å; I210-I301 VanDerWaalsContact CD1-CG1 3.43Å
211	M	91.9	Very high	78.1	Confident	7 Å²	7	58.5 Å²	58.5	3%	0.034	30%	0.303	C	S	.	.	H	α-helix	trans	-60.7	-43.3	175.6	-67	-48.9	-46.5	0	0	111.2	F207 W213 V214 E215 L294 H318 L320 I321	F207-M211 HydrophobicContact CD1-CG 4.16Å; F207-M211 HydrophobicContact CD2-CG 4.41Å; F207-M211 HydrophobicContact CE1-CG 3.67Å; F207-M211 HydrophobicContact CE2-CG 3.94Å; F207-M211 HydrophobicContact CE2-SD 3.94Å; F207-M211 HydrophobicContact CG-CG 4.5Å; F207-M211 HydrophobicContact CZ-CG 3.54Å; F207-M211 HydrophobicContact CZ-SD 3.84Å; F207-M211 WeakPolarHBondContact O-CG 3.44Å; F207-M211 PolarHBondContact O-N 3.37Å; M211-W213 VanDerWaalsContact C-N 3.29Å; M211-W213 PolarHBondContact O-N 3.15Å; M211-V214 PolarHBondContact O-N 3.46Å; M211-V214 VanDerWaalsContact O-N 3.16Å; M211-E215 WeakPolarHBondContact O-CB 3.38Å; M211-E215 WeakPolarHBondContact O-CG 3.42Å; M211-E215 PolarHBondContact O-N 3.23Å; M211-L294 HydrophobicContact CE-CD1 4.36Å; M211-L294 HydrophobicContact SD-CD1 3.79Å; M211-H318 WeakPolarHBondContact CE-CE1 3.34Å; M211-L320 HydrophobicContact CE-CB 4.39Å; M211-L320 HydrophobicContact CE-CD1 3.77Å; M211-I321 HydrophobicContact SD-CD1 4.44Å
212	S	91.5	Very high	76.2	Confident	57 Å²	57	61.8 Å²	61.8	40%	0.399	32%	0.323	S	S	.	.	H	α-helix	trans	-58.6	-37.9	175.8	-56.3	0	0	0	0	112.7	D208 I209 I210 F216	D208-S212 WeakPolarHBondContact O-CB 3.25Å; D208-S212 PolarHBondContact O-N 3.07Å; D208-S212 PolarHBondContact O-OG 3.48Å; I209-S212 WeakPolarHBondContact O-CB 3.23Å; I209-S212 PolarHBondContact O-N 3.29Å; I210-S212 VanDerWaalsContact C-N 3.32Å; I210-S212 PolarHBondContact O-N 3Å; S212-F216 PolarHBondContact O-N 3.36Å
213	W	93.5	Very high	74.3	Confident	5 Å²	5	66.8 Å²	66.8	2%	0.019	35%	0.348	C	S	.	.	H	α-helix	trans	-72.6	-38	176.5	-179.2	99.2	0	0	0	112.6	F181 L184 L189 I209 I210 M211 F216 R290 F293 L297	F181-W213 HydrophobicContact CE1-CB 4.11Å; F181-W213 HydrophobicContact CE1-CG 4.45Å; L184-W213 WeakPolarHBondContact O-CZ2 3.26Å; L184-W213 PolarHBondContact O-NE1 3.27Å; L189-W213 HydrophobicContact CD2-CB 4.2Å; L189-W213 HydrophobicContact CD2-CD2 3.42Å; L189-W213 VanDerWaalsContact CD2-CD2 3.42Å; L189-W213 HydrophobicContact CD2-CE3 3.8Å; L189-W213 HydrophobicContact CD2-CG 3.59Å; L189-W213 HydrophobicContact CD2-CZ2 4.33Å; L189-W213 HydrophobicContact CD2-CZ3 4.41Å; I209-W213 PolarHBondContact O-N 3.39Å; I210-W213 PolarHBondContact O-N 3.09Å; M211-W213 VanDerWaalsContact C-N 3.29Å; M211-W213 PolarHBondContact O-N 3.15Å; W213-F216 WeakPolarHBondContact O-CB 3.34Å; W213-F216 PolarHBondContact O-N 2.82Å; W213-R290 HydrophobicContact CE3-CB 4.37Å; W213-R290 HydrophobicContact CH2-CB 4.17Å; W213-R290 HydrophobicContact CH2-CG 3.94Å; W213-R290 HydrophobicContact CZ2-CG 4.5Å; W213-R290 HydrophobicContact CZ3-CB 3.76Å; W213-R290 HydrophobicContact CZ3-CG 3.98Å; W213-R290 WeakPolarHBondContact O-CD 3.34Å; W213-R290 PolarHBondContact O-NH1 3.19Å; W213-F293 HydrophobicContact CH2-CD2 4.49Å; W213-L297 HydrophobicContact CE3-CD1 4.04Å; W213-L297 HydrophobicContact CZ3-CD1 3.91Å
214	V	90.8	Very high	71.9	Confident	10 Å²	10	71.1 Å²	71.1	6%	0.061	38%	0.376	C	S	.	.	H	α-helix	trans	-69.4	-37.5	179.1	171.4	0	0	0	0	111.8	I210 M211 F216 T291 L294 L297 L320	I210-V214 WeakPolarHBondContact O-CG2 3.43Å; I210-V214 PolarHBondContact O-N 2.96Å; M211-V214 PolarHBondContact O-N 3.46Å; M211-V214 VanDerWaalsContact O-N 3.16Å; V214-F216 VanDerWaalsContact C-N 3.3Å; V214-T291 HydrophobicContact CG1-CG2 4.27Å; V214-L294 HydrophobicContact CG2-CD1 4.24Å; V214-L297 HydrophobicContact CG2-CD1 3.79Å; V214-L320 HydrophobicContact CG1-CD1 4.02Å
215	E	87.9	Confident	69.1	Low	108 Å²	108	77.9 Å²	77.9	51%	0.505	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83	-2.4	179.7	-65.8	-175.6	152.5	0	0	113.9	M211 E217 H318 L320	M211-E215 WeakPolarHBondContact O-CB 3.38Å; M211-E215 WeakPolarHBondContact O-CG 3.42Å; M211-E215 PolarHBondContact O-N 3.23Å; E215-E217 PolarHBondContact O-N 3.27Å; E215-E217 VanDerWaalsContact O-N 3.09Å; E215-H318 IonicContact OE1-CE1 3.35Å; E215-H318 PolarHBondContact OE1-CE1 3.18Å; E215-H318 VanDerWaalsContact OE1-CE1 3.22Å; E215-H318 IonicContact OE1-NE2 2.75Å; E215-L320 HydrophobicContact CG-CD1 3.9Å
216	F	86.2	Confident	66.4	Low	73 Å²	73	79.8 Å²	79.8	32%	0.32	43%	0.427	S	S	.	.			trans	-73	102	-179.6	-173.8	-94.5	0	0	0	112	F182 S212 W213 V214 T218	F182-F216 HydrophobicContact CB-CD1 3.97Å; F182-F216 HydrophobicContact CB-CD2 4.09Å; F182-F216 HydrophobicContact CB-CE1 3.9Å; F182-F216 HydrophobicContact CB-CE2 4.02Å; F182-F216 HydrophobicContact CB-CG 4.06Å; F182-F216 HydrophobicContact CB-CZ 3.92Å; F182-F216 HydrophobicContact CD1-CB 3.83Å; F182-F216 HydrophobicContact CD1-CD1 4.42Å; F182-F216 AromaticContact CD1-CD2 3.59Å; F182-F216 HydrophobicContact CD1-CD2 3.59Å; F182-F216 HydrophobicContact CD1-CE2 4.23Å; F182-F216 AromaticContact CD1-CG 3.69Å; F182-F216 HydrophobicContact CD1-CG 3.69Å; F182-F216 HydrophobicContact CD2-CD2 4.46Å; F182-F216 HydrophobicContact CD2-CE2 4.37Å; F182-F216 HydrophobicContact CE1-CB 4.41Å; F182-F216 HydrophobicContact CE1-CD2 4.14Å; F182-F216 HydrophobicContact CE1-CG 4.49Å; F182-F216 HydrophobicContact CG-CD1 4.49Å; F182-F216 AromaticContact CG-CD2 3.78Å; F182-F216 HydrophobicContact CG-CD2 3.78Å; F182-F216 AromaticContact CG-CE2 3.94Å; F182-F216 HydrophobicContact CG-CE2 3.94Å; F182-F216 HydrophobicContact CG-CG 4.07Å; F182-F216 HydrophobicContact CG-CZ 4.36Å; S212-F216 PolarHBondContact O-N 3.36Å; W213-F216 WeakPolarHBondContact O-CB 3.34Å; W213-F216 PolarHBondContact O-N 2.82Å; V214-F216 VanDerWaalsContact C-N 3.3Å; F216-T218 HydrophobicContact CD1-CG2 4.12Å; F216-T218 HydrophobicContact CE1-CG2 3.83Å; F216-T218 PolarHBondContact O-N 3.33Å
217	E	67.4	Low	63.3	Low	176 Å²	176	86.9 Å²	86.9	82%	0.822	47%	0.465	S	S	*	.			trans	-76.2	107.7	170.6	-67.8	-173.3	164.9	0	0	111.4	E215 K219	E215-E217 PolarHBondContact O-N 3.27Å; E215-E217 VanDerWaalsContact O-N 3.09Å; E217-K219 PolarHBondContact O-N 3.28Å; E217-K219 VanDerWaalsContact O-N 3.12Å
218	T	59.1	Low	60.2	Low	87 Å²	87	92.5 Å²	92.5	53%	0.534	51%	0.505	S	S	.	.			trans	-66	106.8	162.9	46.7	0	0	0	0	109.2	F216 P220	F216-T218 HydrophobicContact CD1-CG2 4.12Å; F216-T218 HydrophobicContact CE1-CG2 3.83Å; F216-T218 PolarHBondContact O-N 3.33Å; T218-P220 WeakPolarHBondContact O-CD 3.45Å
219	K	42.7	Very low	57.2	Low	193 Å²	193	93.3 Å²	93.3	84%	0.839	51%	0.512	S	S	*	.	P	Polyproline II helix	trans	-58.4	121	168.8	-71.7	-177.3	178.5	178.5	0	108.9	E217 N221	E217-K219 PolarHBondContact O-N 3.28Å; E217-K219 VanDerWaalsContact O-N 3.12Å; K219-N221 PolarHBondContact O-N 2.95Å
220	P	35.7	Very low	54	Low	119 Å²	119	100.5 Å²	100.5	77%	0.773	55%	0.549	S	S	*	.	P	Polyproline II helix	trans	-65.2	128.2	171.4	26	-30.2	0	0	0	108.4	T218	T218-P220 WeakPolarHBondContact O-CD 3.45Å
221	N	29.5	Very low	50.8	Low	111 Å²	111	104.6 Å²	104.6	59%	0.594	58%	0.578	S	S	*	*	P	Polyproline II helix	trans	-74.5	126.3	175.2	-157.8	31.5	0	0	0	108	K219 D223	K219-N221 PolarHBondContact O-N 2.95Å; N221-D223 PolarHBondContact O-N 2.86Å
222	P	34.5	Very low	47.7	Very low	112 Å²	112	112.8 Å²	112.8	73%	0.727	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.1	-12.4	-172.1	-25.5	35.9	0	0	0	115.8	T224	P222-T224 PolarHBondContact O-N 3.05Å
223	D	35.9	Very low	44.7	Very low	138 Å²	138	114.4 Å²	114.4	74%	0.738	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.8	17.7	-170.4	-55.8	-38.1	0	0	0	113.8	N221	N221-D223 PolarHBondContact O-N 2.86Å
224	T	33.9	Very low	42	Very low	110 Å²	110	118.2 Å²	118.2	68%	0.675	65%	0.65	S	S	*	*			trans	-128.1	39	-173	-32	0	0	0	0	114.1	P222	P222-T224 PolarHBondContact O-N 3.05Å
225	E	27.1	Very low	39.4	Very low	190 Å²	190	124 Å²	124	89%	0.888	68%	0.681	S	S	*	*			trans	-102	52.9	165.7	-75.4	-161	153.4	0	0	113
226	T	28.1	Very low	37.5	Very low	115 Å²	115	124.3 Å²	124.3	71%	0.706	69%	0.69	S	S	*	*	S	Bend	trans	-148.4	131.8	156.9	44.7	0	0	0	0	112.3
227	N	26.4	Very low	36.2	Very low	149 Å²	149	122 Å²	122	80%	0.797	68%	0.681	S	S	*	*			trans	72.1	103.4	163.7	-57.6	-33.2	0	0	0	118.5	V229	N227-V229 PolarHBondContact O-N 3.48Å; N227-V229 VanDerWaalsContact O-N 3.11Å
228	S	25.5	Very low	35.5	Very low	122 Å²	122	121.8 Å²	121.8	85%	0.853	68%	0.68	S	S	*	*			trans	-65.4	94.8	160.6	54.1	0	0	0	0	112.4
229	V	28.1	Very low	35	Very low	71 Å²	71	118 Å²	118	43%	0.43	66%	0.656	S	S	.	*			trans	-140.1	132	158.3	-177.8	0	0	0	0	108.4	N227 S231 Q261	N227-V229 PolarHBondContact O-N 3.48Å; N227-V229 VanDerWaalsContact O-N 3.11Å; V229-S231 PolarHBondContact O-N 3.14Å; V229-S231 VanDerWaalsContact O-N 3.17Å; V229-Q261 HydrophobicContact CG1-CG 3.62Å; V229-Q261 HydrophobicContact CG2-CG 4.49Å
230	I	25.5	Very low	35.1	Very low	156 Å²	156	111.3 Å²	111.3	80%	0.8	63%	0.633	S	S	*	*			trans	-69.4	109.3	173.4	-61.1	166.3	0	0	0	108.1
231	S	24.8	Very low	35.7	Very low	88 Å²	88	109.2 Å²	109.2	62%	0.615	61%	0.613	S	S	*	*			trans	-111.8	107.3	164.4	47.9	0	0	0	0	109	V229 S233	V229-S231 PolarHBondContact O-N 3.14Å; V229-S231 VanDerWaalsContact O-N 3.17Å; S231-S233 PolarHBondContact O-N 3.47Å
232	E	27.6	Very low	36.3	Very low	179 Å²	179	110.8 Å²	110.8	84%	0.836	62%	0.621	S	S	*	*			trans	-70.3	79.3	166.1	-69.6	-179.2	148.4	0	0	108.9	V234	E232-V234 PolarHBondContact O-N 3.17Å
233	S	28.3	Very low	36	Very low	90 Å²	90	114.7 Å²	114.7	63%	0.629	62%	0.623	S	S	*	*			trans	-67.1	99.5	166.2	46.7	0	0	0	0	108.2	S231 N235	S231-S233 PolarHBondContact O-N 3.47Å; S233-N235 VanDerWaalsContact C-N 3.27Å; S233-N235 PolarHBondContact O-N 3.29Å
234	V	37.3	Very low	35.8	Very low	85 Å²	85	115.9 Å²	115.9	52%	0.515	63%	0.629	S	S	.	*			trans	-61.3	93.8	169	179.6	0	0	0	0	107.5	E232 V236	E232-V234 PolarHBondContact O-N 3.17Å; V234-V236 PolarHBondContact O-N 3.24Å; V234-V236 VanDerWaalsContact O-N 3.17Å
235	N	36.5	Very low	35.4	Very low	132 Å²	132	113.5 Å²	113.5	71%	0.706	63%	0.626	S	S	*	*			trans	-55.4	123.8	170.7	-80.8	-36.4	0	0	0	107.6	S233 I237	S233-N235 VanDerWaalsContact C-N 3.27Å; S233-N235 PolarHBondContact O-N 3.29Å; N235-I237 PolarHBondContact O-N 2.91Å; N235-I237 VanDerWaalsContact O-N 3.16Å
236	V	47	Very low	35.4	Very low	115 Å²	115	112.3 Å²	112.3	70%	0.697	63%	0.626	S	S	*	*			trans	-66.9	114.8	177.9	178.9	0	0	0	0	107.5	V234 E238	V234-V236 PolarHBondContact O-N 3.24Å; V234-V236 VanDerWaalsContact O-N 3.17Å; V236-E238 PolarHBondContact O-N 2.86Å
237	I	59.5	Low	35.5	Very low	23 Å²	23	113.5 Å²	113.5	12%	0.118	63%	0.632	C	S	.	*			trans	-89.3	98.2	-177.9	-55.4	162.5	0	0	0	107.4	I144 P147 M148 N235 L239	I144-I237 HydrophobicContact CB-CG2 3.63Å; I144-I237 HydrophobicContact CG2-CG2 3.6Å; P147-I237 HydrophobicContact CB-CD1 3.54Å; P147-I237 HydrophobicContact CB-CG1 4.03Å; M148-I237 HydrophobicContact CE-CB 3.73Å; M148-I237 HydrophobicContact CE-CD1 3.79Å; M148-I237 HydrophobicContact CE-CG1 4.37Å; M148-I237 HydrophobicContact CE-CG2 3.71Å; M148-I237 HydrophobicContact CG-CD1 4.16Å; M148-I237 HydrophobicContact CG-CG2 4.48Å; M148-I237 HydrophobicContact SD-CD1 3.98Å; N235-I237 PolarHBondContact O-N 2.91Å; N235-I237 VanDerWaalsContact O-N 3.16Å; I237-L239 PolarHBondContact O-N 3.38Å
238	E	53.6	Low	35.6	Very low	172 Å²	172	114.6 Å²	114.6	80%	0.804	63%	0.632	S	S	*	*			trans	-64.1	109.6	176.3	-70.6	-167.7	156.6	0	0	110.6	V236	V236-E238 PolarHBondContact O-N 2.86Å
239	L	47.6	Very low	35.6	Very low	8 Å²	8	113.6 Å²	113.6	4%	0.042	63%	0.625	C	S	.	*			trans	-76.1	144.2	171.5	-82.1	154.5	0	0	0	110.4	P110 V113 I136 R139 I144 M148 I237 E241	P110-L239 HydrophobicContact CB-CB 3.74Å; P110-L239 WeakPolarHBondContact CB-O 3.49Å; V113-L239 HydrophobicContact CG1-CD1 3.21Å; I136-L239 HydrophobicContact CG1-CD1 4.28Å; R139-L239 HydrophobicContact CB-CD2 4.1Å; I144-L239 HydrophobicContact CD1-CD2 3.41Å; I144-L239 VanDerWaalsContact CD1-CD2 3.41Å; I144-L239 HydrophobicContact CD1-CG 4.32Å; M148-L239 HydrophobicContact CE-CD1 4.21Å; M148-L239 HydrophobicContact CE-CG 4.29Å; I237-L239 PolarHBondContact O-N 3.38Å; L239-E241 PolarHBondContact O-N 3.29Å
240	P	45.6	Very low	35.6	Very low	53 Å²	53	117.6 Å²	117.6	34%	0.344	64%	0.643	S	S	.	*			trans	-61.2	128.7	-178.7	-19.7	29	0	0	0	113.2	T141 N242	T141-P240 HydrophobicContact CG2-CG 3.54Å; P240-N242 PolarHBondContact O-N 3.03Å
241	E	47.8	Very low	35.4	Very low	75 Å²	75	120 Å²	120	35%	0.35	65%	0.647	S	S	.	*			trans	-77.7	101.7	167.1	-66.1	-173.5	162.6	0	0	109.6	P110 R111 L239 Y243	P110-E241 HydrophobicContact CB-CG 4.47Å; P110-E241 HydrophobicContact CG-CG 4.38Å; R111-E241 IonicContact CZ-OE1 3.03Å; R111-E241 IonicContact NE-OE1 2.7Å; R111-E241 PolarHBondContact NE-OE1 3.36Å; R111-E241 IonicContact NH2-OE1 3.22Å; R111-E241 PolarHBondContact NH2-OE1 2.67Å; R111-E241 IonicContact NH2-OE2 3.83Å; L239-E241 PolarHBondContact O-N 3.29Å; E241-Y243 HydrophobicContact CB-CD2 4.22Å; E241-Y243 HydrophobicContact CB-CE2 4.03Å; E241-Y243 WeakPolarHBondContact O-CD2 3.38Å; E241-Y243 PolarHBondContact O-N 3.42Å; E241-Y243 VanDerWaalsContact O-N 3.09Å
242	N	41	Very low	35.5	Very low	144 Å²	144	120.7 Å²	120.7	77%	0.77	65%	0.65	S	S	*	*			trans	-70.1	103	164.1	-84.7	-10.5	0	0	0	108.7	P240 D244	P240-N242 PolarHBondContact O-N 3.03Å; N242-D244 PolarHBondContact O-N 3.19Å; N242-D244 VanDerWaalsContact O-N 3.15Å
243	Y	29.1	Very low	35.3	Very low	194 Å²	194	117.2 Å²	117.2	76%	0.761	65%	0.646	S	S	*	*			trans	-67.9	102.8	179.1	-89.8	-104.1	0	0	0	112	E241	E241-Y243 HydrophobicContact CB-CD2 4.22Å; E241-Y243 HydrophobicContact CB-CE2 4.03Å; E241-Y243 WeakPolarHBondContact O-CD2 3.38Å; E241-Y243 PolarHBondContact O-N 3.42Å; E241-Y243 VanDerWaalsContact O-N 3.09Å
244	D	31	Very low	35.3	Very low	163 Å²	163	119.6 Å²	119.6	87%	0.872	66%	0.656	S	S	*	*			trans	-88.8	137.7	139.7	-90.2	-41.4	0	0	0	108.2	N242	N242-D244 PolarHBondContact O-N 3.19Å; N242-D244 VanDerWaalsContact O-N 3.15Å
245	G	26.7	Very low	34.5	Very low	59 Å²	59	121 Å²	121	61%	0.608	67%	0.669	S	S	*	*			trans	-76.8	161.2	-160.1	0	0	0	0	0	117.4
246	N	27.2	Very low	34.1	Very low	165 Å²	165	119.9 Å²	119.9	88%	0.882	67%	0.672	S	S	*	*			trans	72.2	113.3	-179.1	-52.2	-37.6	0	0	0	113.6
247	V	30.4	Very low	33	Very low	140 Å²	140	123.8 Å²	123.8	85%	0.848	68%	0.682	S	S	*	*				-162	163.3	60.5	161.4	0	0	0	0	110.6
248	H	28.3	Very low	31.5	Very low	172 Å²	172	129 Å²	129	80%	0.796	71%	0.71	S	S	*	*			trans	-62.9	142.7	-171.4	-71.7	-86.6	0	0	0	118.3
249	S	24.6	Very low	30	Very low	101 Å²	101	123.8 Å²	123.8	71%	0.706	70%	0.702	S	S	*	*			trans	48.5	122.2	132.9	-56.7	0	0	0	0	121.7
250	I	27.8	Very low	29.1	Very low	155 Å²	155	133.4 Å²	133.4	80%	0.795	74%	0.739	S	S	*	*				-165.9	137.3	121	-91.2	144.2	0	0	0	108.7
251	K	22.8	Very low	28	Very low	206 Å²	206	137.3 Å²	137.3	90%	0.896	75%	0.752	S	S	*	*			trans	-117.1	136.6	163.6	-85.3	-171.7	172.2	-172.2	0	107.6
252	P	26.5	Very low	27	Very low	104 Å²	104	140.6 Å²	140.6	68%	0.675	77%	0.773	S	S	*	*				-140.4	141	113.1	18.2	3.6	0	0	0	111.4
253	S	23.8	Very low	26.3	Very low	106 Å²	106	138.2 Å²	138.2	74%	0.741	77%	0.767	S	S	*	*				68.4	115.6	60.9	81.3	0	0	0	0	116
254	V	26.9	Very low	26.2	Very low	140 Å²	140	134.6 Å²	134.6	85%	0.848	77%	0.769	S	S	*	*			trans	143.3	127	136.9	168.7	0	0	0	0	111
255	S	21.8	Very low	26.1	Very low	113 Å²	113	132.7 Å²	132.7	79%	0.79	77%	0.767	S	S	*	*			trans	-90	146.5	173.8	39.1	0	0	0	0	111.7
256	S	27.8	Very low	26	Very low	109 Å²	109	138.1 Å²	138.1	76%	0.762	78%	0.782	S	S	*	*			trans	-153.8	122.2	158.9	56.9	0	0	0	0	111.8
257	E	22.8	Very low	26.2	Very low	197 Å²	197	134.1 Å²	134.1	92%	0.921	78%	0.78	S	S	*	*			trans	-78.3	126	178.2	-57.3	166.2	141.4	0	0	110.8
258	I	28.1	Very low	26	Very low	134 Å²	134	132.8 Å²	132.8	69%	0.687	78%	0.777	S	S	*	*			trans	-143.2	114.4	162.3	-55	-178.5	0	0	0	108.3	Y260	I258-Y260 HydrophobicContact CG2-CE2 3.92Å
259	G	23.2	Very low	26.2	Very low	62 Å²	62	131.9 Å²	131.9	64%	0.639	78%	0.777	S	S	*	*			trans	-87.5	153.5	-178.4	0	0	0	0	0	114
260	Y	27.4	Very low	26.5	Very low	210 Å²	210	134.9 Å²	134.9	82%	0.824	78%	0.779	S	S	*	*			trans	-137.9	126.2	170.6	-78.3	-82.8	0	0	0	111.1	I258	I258-Y260 HydrophobicContact CG2-CE2 3.92Å
261	Q	24.1	Very low	26.5	Very low	134 Å²	134	131.9 Å²	131.9	63%	0.626	77%	0.772	S	S	*	*			trans	-94.7	152.3	165.7	-71.2	-177.8	-35.5	0	0	110.6	V229	V229-Q261 HydrophobicContact CG1-CG 3.62Å; V229-Q261 HydrophobicContact CG2-CG 4.49Å
262	N	26.3	Very low	26.9	Very low	145 Å²	145	129.1 Å²	129.1	78%	0.775	77%	0.773	S	S	*	*			trans	145.1	114	149	-75.1	-18.8	0	0	0	108.4
263	S	25.9	Very low	27.1	Very low	93 Å²	93	132.3 Å²	132.3	65%	0.65	78%	0.778	S	S	*	*				70.5	139.6	62.6	82.8	0	0	0	0	114.3
264	C	26.9	Very low	27.4	Very low	119 Å²	119	136.3 Å²	136.3	80%	0.804	79%	0.785	S	S	*	*			trans	84.3	136.4	178.1	-56.8	0	0	0	0	115.3
265	C	29.4	Very low	27.5	Very low	122 Å²	122	134.2 Å²	134.2	82%	0.824	77%	0.774	S	S	*	*			cis	-156.7	157.2	-2.5	-110.2	0	0	0	0	112
266	N	25	Very low	27.7	Very low	174 Å²	174	137.6 Å²	137.6	93%	0.93	78%	0.777	S	S	*	*			trans	-67.1	145.3	171.5	-78.7	-41	0	0	0	112.6
267	G	30.2	Very low	27.8	Very low	81 Å²	81	137.2 Å²	137.2	84%	0.835	77%	0.774	S	S	*	*			trans	-152.8	90.7	170.2	0	0	0	0	0	111.4
268	S	26.9	Very low	28.1	Very low	112 Å²	112	133.7 Å²	133.7	78%	0.783	77%	0.771	S	S	*	*			trans	-79.6	152.3	180	178.8	0	0	0	0	112.2
269	L	31.4	Very low	28.3	Very low	152 Å²	152	135.8 Å²	135.8	80%	0.796	78%	0.778	S	S	*	*			trans	-171.9	117.4	134.7	-98.1	154	0	0	0	114.1
270	H	32	Very low	28.4	Very low	164 Å²	164	138.7 Å²	138.7	76%	0.759	79%	0.787	S	S	*	*			trans	56.9	95.5	153.4	-70.1	-47	0	0	0	124.7
271	S	26.7	Very low	28.5	Very low	93 Å²	93	133.3 Å²	133.3	65%	0.65	78%	0.78	S	S	*	*				52.9	114.3	100.2	172.9	0	0	0	0	122
272	T	31.8	Very low	28.7	Very low	147 Å²	147	134.3 Å²	134.3	90%	0.902	80%	0.795	S	S	*	*				-143.1	155.5	119.8	37.4	0	0	0	0	110.9
273	H	31.1	Very low	28.8	Very low	171 Å²	171	134.6 Å²	134.6	79%	0.792	79%	0.792	S	S	*	*			trans	-80	141.4	-163.4	-71.5	-96.7	0	0	0	116.1
274	H	29.2	Very low	28.9	Very low	191 Å²	191	138.6 Å²	138.6	88%	0.884	81%	0.805	S	S	*	*				-159.3	145.4	125.6	-96.8	-70.3	0	0	0	109.4
275	P	29	Very low	29.1	Very low	96 Å²	96	140.1 Å²	140.1	62%	0.623	80%	0.798	S	S	*	*			trans	-106.8	161.4	-160.8	40.1	-35.7	0	0	0	116.7
276	H	26.6	Very low	29.4	Very low	184 Å²	184	139.1 Å²	139.1	85%	0.852	79%	0.792	S	S	*	*			trans	82.6	75.9	163.5	-53.6	-64.3	0	0	0	119.8
277	S	29.4	Very low	30.7	Very low	101 Å²	101	136.6 Å²	136.6	71%	0.706	79%	0.788	S	S	*	*			trans	-130.5	133.6	130.3	67	0	0	0	0	109.4	H279	S277-H279 PolarHBondContact O-N 3.16Å
278	S	29.4	Very low	32.4	Very low	122 Å²	122	138.1 Å²	138.1	85%	0.853	77%	0.772	S	S	*	*			trans	-96.8	85.2	-175.9	55	0	0	0	0	111.1	C280	S278-C280 PolarHBondContact O-N 3.14Å
279	H	31.4	Very low	34.9	Very low	178 Å²	178	136.2 Å²	136.2	82%	0.824	76%	0.757	S	S	*	*			trans	-68.5	111.6	163.8	-79.4	-77.3	0	0	0	109.3	S277	S277-H279 PolarHBondContact O-N 3.16Å
280	C	26	Very low	37.5	Very low	123 Å²	123	131.3 Å²	131.3	83%	0.831	73%	0.728	S	S	*	*			trans	-76.8	127	172.3	-166.7	0	0	0	0	109.2	S278	S278-C280 PolarHBondContact O-N 3.14Å
281	S	28.9	Very low	40.1	Very low	97 Å²	97	126.1 Å²	126.1	68%	0.678	71%	0.708	S	S	*	*			trans	-57.9	140.7	179.5	-47.2	0	0	0	0	112	Q283	S281-Q283 VanDerWaalsContact C-N 3.32Å; S281-Q283 PolarHBondContact O-N 2.92Å
282	T	28.2	Very low	43	Very low	155 Å²	155	125 Å²	125	95%	0.951	70%	0.695	S	S	*	*			trans	-62.6	86.7	174.4	-7.9	0	0	0	0	110.9
283	Q	29.2	Very low	45.8	Very low	151 Å²	151	119.9 Å²	119.9	71%	0.706	66%	0.66	S	S	*	*			trans	-84.2	143	161.3	-70.8	-165.9	-9.4	0	0	109.2	S281 F285	S281-Q283 VanDerWaalsContact C-N 3.32Å; S281-Q283 PolarHBondContact O-N 2.92Å; Q283-F285 WeakPolarHBondContact O-CD2 3.38Å; Q283-F285 PolarHBondContact O-N 3.1Å
284	I	27.3	Very low	48.7	Very low	178 Å²	178	112 Å²	112	91%	0.913	62%	0.623	S	S	*	*			trans	-65	97.5	-176.9	-60.2	161.4	0	0	0	108.7
285	F	31.1	Very low	51.6	Low	150 Å²	150	103.2 Å²	103.2	66%	0.658	58%	0.583	S	S	*	*			trans	-85.8	122.1	173.1	-84.3	-77.5	0	0	0	109.8	Q283 S287	Q283-F285 WeakPolarHBondContact O-CD2 3.38Å; Q283-F285 PolarHBondContact O-N 3.1Å; F285-S287 PolarHBondContact O-N 3.2Å
286	S	36.3	Very low	54.5	Low	101 Å²	101	101.2 Å²	101.2	71%	0.706	57%	0.571	S	S	*	*			trans	-55.6	136.9	157.8	49.2	0	0	0	0	109	K288	S286-K288 PolarHBondContact O-N 3.38Å
287	S	53	Low	57.6	Low	121 Å²	121	92.5 Å²	92.5	85%	0.846	53%	0.531	S	S	*	.			trans	-60	105.9	-178.1	45.3	0	0	0	0	110.5	F285	F285-S287 PolarHBondContact O-N 3.2Å
288	K	65	Low	60.6	Low	113 Å²	113	87.7 Å²	87.7	49%	0.491	50%	0.497	S	S	.	.			trans	-62.6	141.5	174.5	-67.1	-178	-177.4	174.6	0	109.3	S286 D292 F293	S286-K288 PolarHBondContact O-N 3.38Å; K288-D292 HydrophobicContact CB-CB 4.46Å; K288-F293 HydrophobicContact CB-CE2 3.97Å; K288-F293 HydrophobicContact CB-CZ 4.38Å
289	P	80.5	Confident	63.5	Low	73 Å²	73	88 Å²	88	47%	0.474	48%	0.48	S	S	.	.			trans	-59.6	142.4	175.7	27.4	-34.9	0	0	0	109.9	T291 D292	P289-T291 PolarHBondContact O-N 3.22Å; P289-D292 WeakPolarHBondContact O-CB 3.39Å; P289-D292 PolarHBondContact O-N 2.77Å
290	R	86.1	Confident	66.2	Low	48 Å²	48	82.5 Å²	82.5	18%	0.181	45%	0.452	C	S	.	.	G	3₁₀ helix	trans	-55.7	-29.2	-175.2	-62.3	-172.2	-177.1	-142.2	-7.7	113.2	F182 W213 D292 F293	F182-R290 VanDerWaalsContact O-CZ 3.3Å; F182-R290 PolarHBondContact O-NH1 3.03Å; F182-R290 PolarHBondContact O-NH2 2.94Å; W213-R290 HydrophobicContact CE3-CB 4.37Å; W213-R290 HydrophobicContact CH2-CB 4.17Å; W213-R290 HydrophobicContact CH2-CG 3.94Å; W213-R290 HydrophobicContact CZ2-CG 4.5Å; W213-R290 HydrophobicContact CZ3-CB 3.76Å; W213-R290 HydrophobicContact CZ3-CG 3.98Å; W213-R290 WeakPolarHBondContact O-CD 3.34Å; W213-R290 PolarHBondContact O-NH1 3.19Å; R290-D292 PolarHBondContact O-N 2.59Å; R290-F293 PolarHBondContact O-N 2.78Å
291	T	86.6	Confident	69.1	Low	56 Å²	56	76.7 Å²	76.7	34%	0.344	41%	0.412	S	S	.	.	G	3₁₀ helix	trans	-57.5	-30.4	174	51.7	0	0	0	0	113.8	V214 P289 F293 L294 L320	V214-T291 HydrophobicContact CG1-CG2 4.27Å; P289-T291 PolarHBondContact O-N 3.22Å; T291-F293 PolarHBondContact O-N 3.11Å; T291-L294 VanDerWaalsContact O-CB 3.26Å; T291-L294 WeakPolarHBondContact O-CB 3.21Å; T291-L294 PolarHBondContact O-N 3.12Å; T291-L294 VanDerWaalsContact O-N 3.14Å; T291-L320 HydrophobicContact CG2-CD2 4.33Å
292	D	87.1	Confident	71.7	Confident	70 Å²	70	72.8 Å²	72.8	37%	0.374	38%	0.383	S	S	.	.	G	3₁₀ helix	trans	-67.9	-26	179.9	-74.8	-1.7	0	0	0	112.6	K288 P289 R290	K288-D292 HydrophobicContact CB-CB 4.46Å; P289-D292 WeakPolarHBondContact O-CB 3.39Å; P289-D292 PolarHBondContact O-N 2.77Å; R290-D292 PolarHBondContact O-N 2.59Å
293	F	89.5	Confident	74.3	Confident	39 Å²	39	65.4 Å²	65.4	17%	0.171	34%	0.337	C	S	.	.	G	3₁₀ helix	trans	-81.2	-16.1	176.4	-61.8	-91.2	0	0	0	112.6	M190 W213 K288 R290 T291 C296 L297	M190-F293 HydrophobicContact CE-CD1 3.88Å; M190-F293 HydrophobicContact CE-CE1 4.18Å; M190-F293 HydrophobicContact SD-CD1 4.49Å; W213-F293 HydrophobicContact CH2-CD2 4.49Å; K288-F293 HydrophobicContact CB-CE2 3.97Å; K288-F293 HydrophobicContact CB-CZ 4.38Å; R290-F293 PolarHBondContact O-N 2.78Å; T291-F293 PolarHBondContact O-N 3.11Å; F293-C296 WeakPolarHBondContact O-CA 3.44Å; F293-C296 WeakPolarHBondContact O-CB 3.33Å; F293-C296 PolarHBondContact O-N 2.84Å; F293-L297 HydrophobicContact CB-CD1 3.87Å; F293-L297 HydrophobicContact CB-CG 4.21Å; F293-L297 WeakPolarHBondContact O-CG 3.49Å; F293-L297 PolarHBondContact O-N 3.48Å
294	L	91.8	Very high	76.7	Confident	4 Å²	4	59.4 Å²	59.4	2%	0.021	31%	0.312	C	S	.	.	H	α-helix	trans	-52.5	-46.2	-172.4	178.6	63.2	0	0	0	114.1	M211 V214 T291 C296 L297 L298 L320 I321	M211-L294 HydrophobicContact CE-CD1 4.36Å; M211-L294 HydrophobicContact SD-CD1 3.79Å; V214-L294 HydrophobicContact CG2-CD1 4.24Å; T291-L294 VanDerWaalsContact O-CB 3.26Å; T291-L294 WeakPolarHBondContact O-CB 3.21Å; T291-L294 PolarHBondContact O-N 3.12Å; T291-L294 VanDerWaalsContact O-N 3.14Å; L294-C296 VanDerWaalsContact C-N 3.31Å; L294-C296 PolarHBondContact O-N 3.13Å; L294-L297 PolarHBondContact O-N 3.09Å; L294-L298 WeakPolarHBondContact O-CB 3.4Å; L294-L298 PolarHBondContact O-N 2.87Å; L294-L320 HydrophobicContact CD2-CB 3.76Å; L294-I321 HydrophobicContact CD2-CG1 4.25Å
295	P	91	Very high	78.9	Confident	7 Å²	7	54.3 Å²	54.3	5%	0.045	29%	0.286	C	S	.	.	H	α-helix	trans	-65.1	-35.2	178	-14.3	25.7	0	0	0	112.7	L298 R299 D324 R326 I330	P295-L298 PolarHBondContact O-N 3.45Å; P295-R299 WeakPolarHBondContact O-CG 3.44Å; P295-R299 PolarHBondContact O-N 3.41Å; P295-R299 VanDerWaalsContact O-N 3.08Å; P295-D324 WeakPolarHBondContact CG-OD2 3.41Å; P295-R326 HydrophobicContact CB-CB 3.93Å; P295-R326 HydrophobicContact CG-CB 3.95Å; P295-I330 HydrophobicContact CB-CD1 4.02Å; P295-I330 WeakPolarHBondContact O-CD1 3.22Å
296	C	90.8	Very high	81.2	Confident	55 Å²	55	47.4 Å²	47.4	37%	0.372	26%	0.256	S	S	.	.	H	α-helix	trans	-71.9	-37.7	178.6	-64	0	0	0	0	111.7	M190 F293 L294 R300	M190-C296 HydrophobicContact SD-CB 3.48Å; M190-C296 WeakPolarHBondContact SD-CB 3.37Å; F293-C296 WeakPolarHBondContact O-CA 3.44Å; F293-C296 WeakPolarHBondContact O-CB 3.33Å; F293-C296 PolarHBondContact O-N 2.84Å; L294-C296 VanDerWaalsContact C-N 3.31Å; L294-C296 PolarHBondContact O-N 3.13Å; C296-R300 PolarHBondContact O-NH1 3.29Å
297	L	91.9	Very high	83	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-67.3	-43	172.4	-64.3	166.9	0	0	0	110.6	L189 M190 L193 I210 W213 V214 F293 L294 R299 R300 I301	L189-L297 HydrophobicContact CD2-CD1 4.48Å; L189-L297 HydrophobicContact CD2-CD2 3.93Å; L189-L297 HydrophobicContact CG-CD2 3.96Å; M190-L297 HydrophobicContact CG-CD2 3.73Å; M190-L297 HydrophobicContact CG-CG 4.43Å; L193-L297 HydrophobicContact CD1-CD2 3.56Å; I210-L297 HydrophobicContact CG2-CB 3.76Å; I210-L297 HydrophobicContact CG2-CD1 4.21Å; W213-L297 HydrophobicContact CE3-CD1 4.04Å; W213-L297 HydrophobicContact CZ3-CD1 3.91Å; V214-L297 HydrophobicContact CG2-CD1 3.79Å; F293-L297 HydrophobicContact CB-CD1 3.87Å; F293-L297 HydrophobicContact CB-CG 4.21Å; F293-L297 WeakPolarHBondContact O-CG 3.49Å; F293-L297 PolarHBondContact O-N 3.48Å; L294-L297 PolarHBondContact O-N 3.09Å; L297-R299 VanDerWaalsContact C-N 3.35Å; L297-R299 PolarHBondContact O-N 3.49Å; L297-R300 WeakPolarHBondContact O-CB 3.38Å; L297-R300 PolarHBondContact O-N 3.39Å; L297-I301 PolarHBondContact O-N 3.1Å
298	L	91.4	Very high	84.3	Confident	1 Å²	1	42.8 Å²	42.8	1%	0.005	22%	0.219	C	C	.	.	H	α-helix	trans	-61.2	-38	178.9	-173.9	63.3	0	0	0	112.6	F207 L294 P295 R300 I301 L303 C327 I330	F207-L298 HydrophobicContact CD2-CD1 4.4Å; F207-L298 HydrophobicContact CE2-CD1 4.3Å; L294-L298 WeakPolarHBondContact O-CB 3.4Å; L294-L298 PolarHBondContact O-N 2.87Å; P295-L298 PolarHBondContact O-N 3.45Å; L298-R300 PolarHBondContact O-N 2.9Å; L298-I301 HydrophobicContact CD1-CD1 4.16Å; L298-I301 WeakPolarHBondContact O-CB 3.31Å; L298-I301 PolarHBondContact O-N 3.14Å; L298-L303 HydrophobicContact CD1-CD1 4.08Å; L298-L303 HydrophobicContact CD1-CD2 3.96Å; L298-L303 HydrophobicContact CG-CD1 4.09Å; L298-C327 HydrophobicContact CD2-CB 3.81Å; L298-I330 HydrophobicContact CD2-CB 4.46Å; L298-I330 HydrophobicContact CD2-CD1 4.34Å; L298-I330 HydrophobicContact CD2-CG2 4.25Å; L298-I330 HydrophobicContact CG-CG2 4.25Å
299	R	90.1	Very high	84.9	Confident	128 Å²	128	42.3 Å²	42.3	48%	0.483	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-20	173.2	-72.3	179.5	77.3	147.3	7.1	114.4	P295 L297 I330	P295-R299 WeakPolarHBondContact O-CG 3.44Å; P295-R299 PolarHBondContact O-N 3.41Å; P295-R299 VanDerWaalsContact O-N 3.08Å; L297-R299 VanDerWaalsContact C-N 3.35Å; L297-R299 PolarHBondContact O-N 3.49Å; R299-I330 HydrophobicContact CG-CD1 3.55Å; R299-I330 HydrophobicContact CG-CG1 3.87Å; R299-I330 HydrophobicContact CG-CG2 4.39Å
300	R	88.6	Confident	85	Confident	62 Å²	62	40.8 Å²	40.8	23%	0.234	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-14.9	176.2	-68.8	167.8	173.6	77.1	-1.7	112.3	M190 L193 E194 C296 L297 L298 R353	M190-R300 WeakPolarHBondContact O-CD 3.13Å; M190-R300 PolarHBondContact O-NE 3.27Å; M190-R300 PolarHBondContact SD-NH1 2.97Å; L193-R300 HydrophobicContact CB-CB 4.08Å; E194-R300 HydrophobicContact CG-CG 4.17Å; E194-R300 IonicContact OE1-CZ 3.19Å; E194-R300 IonicContact OE1-NE 2.71Å; E194-R300 PolarHBondContact OE1-NE 3.08Å; E194-R300 IonicContact OE1-NH2 3.48Å; E194-R300 PolarHBondContact OE1-NH2 2.98Å; C296-R300 PolarHBondContact O-NH1 3.29Å; L297-R300 WeakPolarHBondContact O-CB 3.38Å; L297-R300 PolarHBondContact O-N 3.39Å; L298-R300 PolarHBondContact O-N 2.9Å; R300-R353 PolarHBondContact O-NH2 3.01Å
301	I	87.4	Confident	84.9	Confident	1 Å²	1	38.5 Å²	38.5	1%	0.005	20%	0.199	C	C	.	.	S	Bend	trans	-74.5	133.3	164.6	-54.1	175.3	0	0	0	107.8	E203 F207 I210 L297 L298 L303 I306	E203-I301 HydrophobicContact CB-CG2 4.26Å; F207-I301 HydrophobicContact CB-CD1 3.91Å; F207-I301 HydrophobicContact CD2-CD1 3.71Å; F207-I301 HydrophobicContact CG-CD1 4.31Å; I210-I301 HydrophobicContact CD1-CD1 3.61Å; I210-I301 HydrophobicContact CD1-CG1 3.43Å; I210-I301 VanDerWaalsContact CD1-CG1 3.43Å; L297-I301 PolarHBondContact O-N 3.1Å; L298-I301 HydrophobicContact CD1-CD1 4.16Å; L298-I301 WeakPolarHBondContact O-CB 3.31Å; L298-I301 PolarHBondContact O-N 3.14Å; I301-L303 HydrophobicContact CB-CD2 4.17Å; I301-L303 HydrophobicContact CB-CG 4.34Å; I301-L303 HydrophobicContact CG2-CD2 3.87Å; I301-L303 HydrophobicContact CG2-CG 4.33Å; I301-L303 PolarHBondContact O-N 2.86Å; I301-I306 HydrophobicContact CG2-CD1 3.77Å
302	R	82.4	Confident	84.8	Confident	15 Å²	15	40.6 Å²	40.6	6%	0.057	20%	0.203	C	C	.	.			trans	-83.4	67.9	178.3	-55	-164	-165.1	99.4	-21	110	D196 E203 P304 L305 N349 R351 R353	D196-R302 IonicContact OD1-CZ 3.1Å; D196-R302 IonicContact OD1-NH2 3.94Å; D196-R302 PolarHBondContact OD1-NH2 3.1Å; E203-R302 HydrophobicContact CG-CB 4.17Å; E203-R302 IonicContact OE1-CZ 2.71Å; E203-R302 IonicContact OE1-NH1 3.19Å; E203-R302 PolarHBondContact OE1-NH1 3.34Å; E203-R302 PolarHBondContact OE2-N 3.23Å; R302-P304 VanDerWaalsContact C-N 3.28Å; R302-P304 VanDerWaalsContact O-N 3.13Å; R302-L305 HydrophobicContact CB-CB 4.48Å; R302-L305 HydrophobicContact CB-CD1 3.86Å; R302-L305 HydrophobicContact CB-CG 4.1Å; R302-L305 WeakPolarHBondContact O-CA 3.42Å; R302-L305 WeakPolarHBondContact O-CB 3.45Å; R302-L305 PolarHBondContact O-N 3.4Å; R302-N349 VanDerWaalsContact CD-O 3.23Å; R302-N349 WeakPolarHBondContact CD-O 3.43Å; R302-N349 PolarHBondContact NE-O 3.03Å; R302-R351 WeakPolarHBondContact CD-O 3.35Å; R302-R351 PolarHBondContact NE-O 3.35Å; R302-R351 PolarHBondContact NH1-O 2.9Å; R302-R351 PolarHBondContact NH2-O 3.32Å; R302-R353 VanDerWaalsContact NH1-CA 3.35Å
303	L	84.3	Confident	84.7	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-47.8	-38.4	-175.5	-62.8	170.6	0	0	0	114.1	L298 I301 L305 I306 I311 I315 I330 L331 V334	L298-L303 HydrophobicContact CD1-CD1 4.08Å; L298-L303 HydrophobicContact CD1-CD2 3.96Å; L298-L303 HydrophobicContact CG-CD1 4.09Å; I301-L303 HydrophobicContact CB-CD2 4.17Å; I301-L303 HydrophobicContact CB-CG 4.34Å; I301-L303 HydrophobicContact CG2-CD2 3.87Å; I301-L303 HydrophobicContact CG2-CG 4.33Å; I301-L303 PolarHBondContact O-N 2.86Å; L303-L305 PolarHBondContact O-N 3.28Å; L303-L305 VanDerWaalsContact O-N 3.13Å; L303-I306 HydrophobicContact CD2-CD1 4.07Å; L303-I306 WeakPolarHBondContact O-CB 3.43Å; L303-I306 PolarHBondContact O-N 2.81Å; L303-I311 WeakPolarHBondContact O-CD1 3.13Å; L303-I315 HydrophobicContact CD2-CD1 4.06Å; L303-I330 HydrophobicContact CD1-CG2 3.62Å; L303-L331 HydrophobicContact CD1-CD2 4.19Å; L303-V334 HydrophobicContact CB-CB 4.46Å; L303-V334 HydrophobicContact CB-CG1 4Å; L303-V334 HydrophobicContact CB-CG2 3.71Å; L303-V334 HydrophobicContact CD1-CG2 3.91Å; L303-V334 HydrophobicContact CG-CG2 4.48Å
304	P	78.4	Confident	84.6	Confident	25 Å²	25	40.6 Å²	40.6	16%	0.162	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-63.4	-14.9	175.1	-24.4	36.4	0	0	0	115.5	R302 V334 V337 F348	R302-P304 VanDerWaalsContact C-N 3.28Å; R302-P304 VanDerWaalsContact O-N 3.13Å; P304-V334 HydrophobicContact CG-CG1 4.45Å; P304-V334 HydrophobicContact CG-CG2 4.45Å; P304-V337 HydrophobicContact CG-CG1 4.48Å; P304-F348 HydrophobicContact CG-CD1 4.31Å; P304-F348 HydrophobicContact CG-CG 4.23Å
305	L	73	Confident	84.5	Confident	71 Å²	71	40.4 Å²	40.4	37%	0.372	21%	0.21	S	C	.	.	G	3₁₀ helix	trans	-91.5	-7.9	174.1	-55.8	-178.2	0	0	0	113	E203 R302 L303 P352	E203-L305 HydrophobicContact CG-CB 4.42Å; R302-L305 HydrophobicContact CB-CB 4.48Å; R302-L305 HydrophobicContact CB-CD1 3.86Å; R302-L305 HydrophobicContact CB-CG 4.1Å; R302-L305 WeakPolarHBondContact O-CA 3.42Å; R302-L305 WeakPolarHBondContact O-CB 3.45Å; R302-L305 PolarHBondContact O-N 3.4Å; L303-L305 PolarHBondContact O-N 3.28Å; L303-L305 VanDerWaalsContact O-N 3.13Å; L305-P352 HydrophobicContact CD1-CB 4.21Å; L305-P352 HydrophobicContact CD1-CG 4.12Å
306	I	79.4	Confident	84.4	Confident	5 Å²	5	41 Å²	41	3%	0.026	22%	0.215	C	C	.	.	S	Bend	trans	-81.2	136.4	175.3	-64.9	-174.3	0	0	0	109.2	E203 E204 I301 L303 V308 Y310 I311 I315	E203-I306 HydrophobicContact CB-CD1 3.99Å; E203-I306 HydrophobicContact CB-CG1 3.58Å; E204-I306 HydrophobicContact CG-CG2 3.92Å; I301-I306 HydrophobicContact CG2-CD1 3.77Å; L303-I306 HydrophobicContact CD2-CD1 4.07Å; L303-I306 WeakPolarHBondContact O-CB 3.43Å; L303-I306 PolarHBondContact O-N 2.81Å; I306-V308 PolarHBondContact O-N 3.31Å; I306-Y310 HydrophobicContact CG2-CD1 3.78Å; I306-Y310 HydrophobicContact CG2-CG 4.18Å; I306-I311 HydrophobicContact CB-CD1 4.23Å; I306-I311 HydrophobicContact CB-CG1 3.96Å; I306-I311 HydrophobicContact CG2-CD1 4.44Å; I306-I311 HydrophobicContact CG2-CG1 3.67Å; I306-I315 HydrophobicContact CD1-CD1 3.73Å; I306-I315 HydrophobicContact CG2-CD1 4.23Å
307	P	74.7	Confident	84.3	Confident	58 Å²	58	46.4 Å²	46.4	38%	0.377	23%	0.227	S	C	.	.			trans	-51.2	127.7	173.7	-29.2	36.9	0	0	0	112.6	E204 N309 Y310 I311	E204-P307 WeakPolarHBondContact OE1-CD 3.5Å; E204-P307 WeakPolarHBondContact OE1-CG 3.33Å; P307-N309 WeakPolarHBondContact CB-OD1 3.43Å; P307-N309 PolarHBondContact O-N 2.82Å; P307-N309 VanDerWaalsContact O-N 3.07Å; P307-Y310 WeakPolarHBondContact O-CA 3.45Å; P307-Y310 WeakPolarHBondContact O-CB 3.21Å; P307-Y310 PolarHBondContact O-N 3.14Å; P307-I311 PolarHBondContact O-N 2.97Å
308	V	79.6	Confident	84.3	Confident	68 Å²	68	48.5 Å²	48.5	41%	0.412	24%	0.237	S	C	.	.	H	α-helix	trans	-52.2	-38.3	-174.3	-174.6	0	0	0	0	112.3	I306 Y310 I311 F312 L338	I306-V308 PolarHBondContact O-N 3.31Å; V308-Y310 PolarHBondContact O-N 2.87Å; V308-I311 PolarHBondContact O-N 3.37Å; V308-F312 HydrophobicContact CG1-CD2 3.74Å; V308-F312 HydrophobicContact CG1-CE2 3.61Å; V308-F312 VanDerWaalsContact O-CD2 3.26Å; V308-F312 WeakPolarHBondContact O-CD2 3.46Å; V308-F312 PolarHBondContact O-N 3.36Å; V308-F312 VanDerWaalsContact O-N 3.09Å; V308-L338 HydrophobicContact CG2-CD1 4.15Å; V308-L338 HydrophobicContact CG2-CD2 4.27Å
309	N	78.8	Confident	84.2	Confident	103 Å²	103	53.4 Å²	53.4	55%	0.551	26%	0.263	S	S	*	.	H	α-helix	trans	-62.8	-37	175.1	62.6	-53.6	0	0	0	113.1	P307 S313	P307-N309 WeakPolarHBondContact CB-OD1 3.43Å; P307-N309 PolarHBondContact O-N 2.82Å; P307-N309 VanDerWaalsContact O-N 3.07Å; N309-S313 WeakPolarHBondContact O-CB 3.49Å; N309-S313 PolarHBondContact O-N 2.89Å; N309-S313 PolarHBondContact O-OG 3.12Å
310	Y	81.7	Confident	84.1	Confident	40 Å²	40	49.4 Å²	49.4	16%	0.157	25%	0.251	C	S	.	.	H	α-helix	trans	-69	-42.3	176.1	-167.4	-81.4	0	0	0	110.8	E204 F207 D208 I306 P307 V308 F312 S313 V314 I315	E204-Y310 HydrophobicContact CB-CD1 4.49Å; E204-Y310 HydrophobicContact CB-CE1 4.16Å; E204-Y310 HydrophobicContact CB-CE2 4.2Å; E204-Y310 HydrophobicContact CG-CD1 3.98Å; E204-Y310 HydrophobicContact CG-CD2 4.03Å; E204-Y310 HydrophobicContact CG-CE1 4.17Å; E204-Y310 HydrophobicContact CG-CE2 4.21Å; E204-Y310 HydrophobicContact CG-CG 3.93Å; E204-Y310 WeakPolarHBondContact OE1-CD2 3.49Å; F207-Y310 HydrophobicContact CD1-CE1 4.29Å; D208-Y310 PolarHBondContact OD1-OH 3.38Å; I306-Y310 HydrophobicContact CG2-CD1 3.78Å; I306-Y310 HydrophobicContact CG2-CG 4.18Å; P307-Y310 WeakPolarHBondContact O-CA 3.45Å; P307-Y310 WeakPolarHBondContact O-CB 3.21Å; P307-Y310 PolarHBondContact O-N 3.14Å; V308-Y310 PolarHBondContact O-N 2.87Å; Y310-F312 VanDerWaalsContact C-N 3.34Å; Y310-F312 PolarHBondContact O-N 2.94Å; Y310-S313 PolarHBondContact O-N 3.47Å; Y310-V314 HydrophobicContact CD1-CB 4.11Å; Y310-V314 HydrophobicContact CD1-CG2 4.45Å; Y310-V314 HydrophobicContact CD2-CG2 4Å; Y310-V314 HydrophobicContact CE1-CB 3.89Å; Y310-V314 HydrophobicContact CE1-CG1 3.98Å; Y310-V314 HydrophobicContact CE1-CG2 4.34Å; Y310-V314 HydrophobicContact CE2-CB 4.34Å; Y310-V314 HydrophobicContact CE2-CG2 3.9Å; Y310-V314 HydrophobicContact CG-CB 4.41Å; Y310-V314 HydrophobicContact CG-CG2 4.27Å; Y310-V314 WeakPolarHBondContact O-CB 3.43Å; Y310-V314 PolarHBondContact O-N 3.15Å; Y310-I315 HydrophobicContact CD1-CD1 3.97Å; Y310-I315 HydrophobicContact CD1-CG1 3.85Å; Y310-I315 HydrophobicContact CE1-CD1 4.14Å; Y310-I315 HydrophobicContact CE1-CG1 3.84Å; Y310-I315 PolarHBondContact O-N 3.13Å
311	I	85.2	Confident	84.2	Confident	1 Å²	1	46.5 Å²	46.5	1%	0.005	24%	0.24	C	C	.	.	H	α-helix	trans	-56.1	-46.3	174.5	-55.9	176.1	0	0	0	111.2	L303 I306 P307 V308 I315 S316 L331 V334 L338	L303-I311 WeakPolarHBondContact O-CD1 3.13Å; I306-I311 HydrophobicContact CB-CD1 4.23Å; I306-I311 HydrophobicContact CB-CG1 3.96Å; I306-I311 HydrophobicContact CG2-CD1 4.44Å; I306-I311 HydrophobicContact CG2-CG1 3.67Å; P307-I311 PolarHBondContact O-N 2.97Å; V308-I311 PolarHBondContact O-N 3.37Å; I311-I315 HydrophobicContact CG1-CD1 4.45Å; I311-S316 VanDerWaalsContact O-CB 3.24Å; I311-S316 WeakPolarHBondContact O-CB 3.49Å; I311-S316 PolarHBondContact O-N 3.36Å; I311-S316 PolarHBondContact O-OG 3.16Å; I311-L331 HydrophobicContact CG2-CD2 4.05Å; I311-V334 HydrophobicContact CD1-CG1 4.11Å; I311-L338 HydrophobicContact CD1-CD1 3.77Å
312	F	83.8	Confident	84.3	Confident	99 Å²	99	53.4 Å²	53.4	43%	0.434	27%	0.266	S	S	.	.	H	α-helix	trans	-78.7	-33.3	-179.6	-79	-70	0	0	0	114.9	V308 Y310 R335	V308-F312 HydrophobicContact CG1-CD2 3.74Å; V308-F312 HydrophobicContact CG1-CE2 3.61Å; V308-F312 VanDerWaalsContact O-CD2 3.26Å; V308-F312 WeakPolarHBondContact O-CD2 3.46Å; V308-F312 PolarHBondContact O-N 3.36Å; V308-F312 VanDerWaalsContact O-N 3.09Å; Y310-F312 VanDerWaalsContact C-N 3.34Å; Y310-F312 PolarHBondContact O-N 2.94Å; F312-R335 HydrophobicContact CE1-CG 4.28Å; F312-R335 HydrophobicContact CZ-CG 3.84Å
313	S	84.6	Confident	84.6	Confident	56 Å²	56	60.2 Å²	60.2	39%	0.392	30%	0.296	S	S	.	.	H	α-helix	trans	-92.9	-26.5	-173.5	65	0	0	0	0	114.4	N309 Y310 R317	N309-S313 WeakPolarHBondContact O-CB 3.49Å; N309-S313 PolarHBondContact O-N 2.89Å; N309-S313 PolarHBondContact O-OG 3.12Å; Y310-S313 PolarHBondContact O-N 3.47Å; S313-R317 VanDerWaalsContact O-CD 3.26Å; S313-R317 WeakPolarHBondContact O-CD 3.13Å
314	V	87.9	Confident	84.9	Confident	53 Å²	53	61.4 Å²	61.4	32%	0.321	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.4	-68.7	-179.4	-174.7	0	0	0	0	110.1	F207 Y310 S316 R317 H318	F207-V314 HydrophobicContact CE1-CG1 4.43Å; Y310-V314 HydrophobicContact CD1-CB 4.11Å; Y310-V314 HydrophobicContact CD1-CG2 4.45Å; Y310-V314 HydrophobicContact CD2-CG2 4Å; Y310-V314 HydrophobicContact CE1-CB 3.89Å; Y310-V314 HydrophobicContact CE1-CG1 3.98Å; Y310-V314 HydrophobicContact CE1-CG2 4.34Å; Y310-V314 HydrophobicContact CE2-CB 4.34Å; Y310-V314 HydrophobicContact CE2-CG2 3.9Å; Y310-V314 HydrophobicContact CG-CB 4.41Å; Y310-V314 HydrophobicContact CG-CG2 4.27Å; Y310-V314 WeakPolarHBondContact O-CB 3.43Å; Y310-V314 PolarHBondContact O-N 3.15Å; V314-S316 PolarHBondContact O-N 3.48Å; V314-R317 WeakPolarHBondContact O-CA 3.42Å; V314-R317 PolarHBondContact O-N 3.11Å; V314-H318 PolarHBondContact O-N 2.83Å; V314-H318 VanDerWaalsContact O-N 3.15Å
315	I	89.7	Confident	85.5	Confident	0 Å²	0	64.9 Å²	64.9	0%	0	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-59.9	-52.2	-169.8	-53.9	-177.5	0	0	0	111.4	F207 L303 I306 Y310 I311 R317 H318 I321 L331	F207-I315 HydrophobicContact CD1-CG1 4.17Å; F207-I315 HydrophobicContact CD2-CD1 4.07Å; F207-I315 HydrophobicContact CD2-CG1 4.11Å; F207-I315 HydrophobicContact CD2-CG2 4.31Å; F207-I315 HydrophobicContact CE1-CG1 4.04Å; F207-I315 HydrophobicContact CE2-CB 4.28Å; F207-I315 HydrophobicContact CE2-CD1 4.37Å; F207-I315 HydrophobicContact CE2-CG1 4Å; F207-I315 HydrophobicContact CE2-CG2 3.67Å; F207-I315 HydrophobicContact CG-CD1 4.21Å; F207-I315 HydrophobicContact CG-CG1 4.21Å; F207-I315 HydrophobicContact CZ-CB 4.22Å; F207-I315 HydrophobicContact CZ-CG1 3.96Å; F207-I315 HydrophobicContact CZ-CG2 4Å; L303-I315 HydrophobicContact CD2-CD1 4.06Å; I306-I315 HydrophobicContact CD1-CD1 3.73Å; I306-I315 HydrophobicContact CG2-CD1 4.23Å; Y310-I315 HydrophobicContact CD1-CD1 3.97Å; Y310-I315 HydrophobicContact CD1-CG1 3.85Å; Y310-I315 HydrophobicContact CE1-CD1 4.14Å; Y310-I315 HydrophobicContact CE1-CG1 3.84Å; Y310-I315 PolarHBondContact O-N 3.13Å; I311-I315 HydrophobicContact CG1-CD1 4.45Å; I315-R317 PolarHBondContact O-N 2.79Å; I315-R317 VanDerWaalsContact O-N 3.08Å; I315-H318 WeakPolarHBondContact O-CB 3.33Å; I315-H318 PolarHBondContact O-N 2.72Å; I315-I321 HydrophobicContact CG2-CD1 3.72Å; I315-L331 HydrophobicContact CG2-CD1 4.12Å; I315-L331 HydrophobicContact CG2-CD2 3.83Å
316	S	88.7	Confident	86.3	Confident	21 Å²	21	66.8 Å²	66.8	15%	0.147	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-64	-14.1	178	-59.1	0	0	0	0	114	I311 V314 R322 R335	I311-S316 VanDerWaalsContact O-CB 3.24Å; I311-S316 WeakPolarHBondContact O-CB 3.49Å; I311-S316 PolarHBondContact O-N 3.36Å; I311-S316 PolarHBondContact O-OG 3.16Å; V314-S316 PolarHBondContact O-N 3.48Å; S316-R322 WeakPolarHBondContact O-CG 3.32Å; S316-R335 PolarHBondContact OG-NH2 3.46Å
317	R	89.9	Confident	86.9	Confident	167 Å²	167	66.6 Å²	66.6	63%	0.63	32%	0.32	S	S	*	.	G	3₁₀ helix	trans	-98.9	-14.4	179.9	-63.6	-161.4	-177.2	177.8	-4.4	113.4	S313 V314 I315 R322	S313-R317 VanDerWaalsContact O-CD 3.26Å; S313-R317 WeakPolarHBondContact O-CD 3.13Å; V314-R317 WeakPolarHBondContact O-CA 3.42Å; V314-R317 PolarHBondContact O-N 3.11Å; I315-R317 PolarHBondContact O-N 2.79Å; I315-R317 VanDerWaalsContact O-N 3.08Å; R317-R322 WeakPolarHBondContact O-CD 3.47Å
318	H	90.3	Very high	87.7	Confident	45 Å²	45	68.8 Å²	68.8	21%	0.208	32%	0.321	C	S	.	.			trans	-64.6	131.9	-174.8	-155.8	-68.5	0	0	0	112.2	M211 E215 V314 I315 L320 I321 R322	M211-H318 WeakPolarHBondContact CE-CE1 3.34Å; E215-H318 IonicContact OE1-CE1 3.35Å; E215-H318 PolarHBondContact OE1-CE1 3.18Å; E215-H318 VanDerWaalsContact OE1-CE1 3.22Å; E215-H318 IonicContact OE1-NE2 2.75Å; V314-H318 PolarHBondContact O-N 2.83Å; V314-H318 VanDerWaalsContact O-N 3.15Å; I315-H318 WeakPolarHBondContact O-CB 3.33Å; I315-H318 PolarHBondContact O-N 2.72Å; H318-L320 PolarHBondContact O-N 3.3Å; H318-I321 HydrophobicContact CB-CB 4.22Å; H318-I321 HydrophobicContact CB-CD1 4.01Å; H318-I321 HydrophobicContact CB-CG1 4.24Å; H318-I321 PolarHBondContact O-N 3.06Å; H318-I321 VanDerWaalsContact O-N 3.14Å; H318-R322 WeakPolarHBondContact O-CG 3.5Å; H318-R322 PolarHBondContact O-N 3.26Å
319	D	89.1	Confident	88.2	Confident	104 Å²	104	69.2 Å²	69.2	56%	0.556	32%	0.321	S	S	*	.	H	α-helix	trans	-61.9	-44	-168.7	-82.5	-13.8	0	0	0	113.7	I321 R322 K323	D319-I321 VanDerWaalsContact C-N 3.33Å; D319-I321 PolarHBondContact O-N 2.81Å; D319-R322 PolarHBondContact O-N 2.81Å; D319-K323 WeakPolarHBondContact O-CB 3.4Å; D319-K323 WeakPolarHBondContact O-CD 3.49Å; D319-K323 VanDerWaalsContact O-CG 3.24Å; D319-K323 WeakPolarHBondContact O-CG 3.44Å; D319-K323 PolarHBondContact O-N 3.49Å; D319-K323 VanDerWaalsContact O-N 3.08Å
320	L	89.1	Confident	88.6	Confident	43 Å²	43	64.7 Å²	64.7	23%	0.225	30%	0.296	C	S	.	.	H	α-helix	trans	-59.9	-41.3	176.4	-63.9	177.7	0	0	0	112.3	M211 V214 E215 T291 L294 H318 K323 D324	M211-L320 HydrophobicContact CE-CB 4.39Å; M211-L320 HydrophobicContact CE-CD1 3.77Å; V214-L320 HydrophobicContact CG1-CD1 4.02Å; E215-L320 HydrophobicContact CG-CD1 3.9Å; T291-L320 HydrophobicContact CG2-CD2 4.33Å; L294-L320 HydrophobicContact CD2-CB 3.76Å; H318-L320 PolarHBondContact O-N 3.3Å; L320-K323 PolarHBondContact O-N 3.04Å; L320-D324 PolarHBondContact O-N 3.33Å; L320-D324 VanDerWaalsContact O-N 3.14Å
321	I	89.9	Confident	89	Confident	1 Å²	1	63 Å²	63	1%	0.005	29%	0.29	C	S	.	.	H	α-helix	trans	-69.8	-36.9	179.3	-67.6	178.2	0	0	0	111.5	F207 M211 L294 I315 H318 D319 K323 C327 R328 L331	F207-I321 HydrophobicContact CE2-CD1 3.52Å; F207-I321 HydrophobicContact CZ-CD1 3.64Å; M211-I321 HydrophobicContact SD-CD1 4.44Å; L294-I321 HydrophobicContact CD2-CG1 4.25Å; I315-I321 HydrophobicContact CG2-CD1 3.72Å; H318-I321 HydrophobicContact CB-CB 4.22Å; H318-I321 HydrophobicContact CB-CD1 4.01Å; H318-I321 HydrophobicContact CB-CG1 4.24Å; H318-I321 PolarHBondContact O-N 3.06Å; H318-I321 VanDerWaalsContact O-N 3.14Å; D319-I321 VanDerWaalsContact C-N 3.33Å; D319-I321 PolarHBondContact O-N 2.81Å; I321-K323 VanDerWaalsContact C-N 3.31Å; I321-C327 HydrophobicContact CB-CB 4.38Å; I321-C327 HydrophobicContact CG1-CB 4.5Å; I321-C327 HydrophobicContact CG2-CB 4.03Å; I321-R328 WeakPolarHBondContact O-CG 3.4Å; I321-L331 HydrophobicContact CG2-CD1 3.59Å
322	R	89.6	Confident	89	Confident	147 Å²	147	66.2 Å²	66.2	56%	0.555	31%	0.307	S	S	*	.	H	α-helix	trans	-70.3	-28.9	176.3	-68.7	-177	71.5	168.8	4	112.9	S316 R317 H318 D319 R328	S316-R322 WeakPolarHBondContact O-CG 3.32Å; R317-R322 WeakPolarHBondContact O-CD 3.47Å; H318-R322 WeakPolarHBondContact O-CG 3.5Å; H318-R322 PolarHBondContact O-N 3.26Å; D319-R322 PolarHBondContact O-N 2.81Å; R322-R328 PolarHBondContact O-NH1 3.3Å
323	K	89.1	Confident	89	Confident	157 Å²	157	65.3 Å²	65.3	68%	0.683	30%	0.304	S	S	*	.	H	α-helix	trans	-77.6	-39	178.8	-73	167.3	-174.7	173	0	112.5	D319 L320 I321	D319-K323 WeakPolarHBondContact O-CB 3.4Å; D319-K323 WeakPolarHBondContact O-CD 3.49Å; D319-K323 VanDerWaalsContact O-CG 3.24Å; D319-K323 WeakPolarHBondContact O-CG 3.44Å; D319-K323 PolarHBondContact O-N 3.49Å; D319-K323 VanDerWaalsContact O-N 3.08Å; L320-K323 PolarHBondContact O-N 3.04Å; I321-K323 VanDerWaalsContact C-N 3.31Å
324	D	90.3	Very high	88.9	Confident	26 Å²	26	62.6 Å²	62.6	14%	0.139	29%	0.286	C	S	.	.			trans	-85.4	117.7	179.3	-165.5	-41.7	0	0	0	112	P295 L320 R326 C327 R328	P295-D324 WeakPolarHBondContact CG-OD2 3.41Å; L320-D324 PolarHBondContact O-N 3.33Å; L320-D324 VanDerWaalsContact O-N 3.14Å; D324-R326 VanDerWaalsContact C-N 3.3Å; D324-R326 PolarHBondContact O-N 3.07Å; D324-R326 VanDerWaalsContact OD1-CB 3.23Å; D324-R326 WeakPolarHBondContact OD1-CB 3.45Å; D324-R326 WeakPolarHBondContact OD1-CG 3.39Å; D324-R326 IonicContact OD1-CZ 3.91Å; D324-R326 PolarHBondContact OD1-N 3.26Å; D324-R326 IonicContact OD1-NE 3.26Å; D324-R326 PolarHBondContact OD1-NE 2.8Å; D324-R326 IonicContact OD1-NH2 3.91Å; D324-R326 IonicContact OD2-CZ 3.36Å; D324-R326 IonicContact OD2-NE 3.18Å; D324-R326 PolarHBondContact OD2-NE 3Å; D324-R326 IonicContact OD2-NH2 2.68Å; D324-R326 PolarHBondContact OD2-NH2 3.31Å; D324-C327 HydrophobicContact CB-CB 4.13Å; D324-C327 PolarHBondContact O-N 3.36Å; D324-R328 PolarHBondContact O-N 3.34Å
325	I	90.5	Very high	88.5	Confident	97 Å²	97	63.2 Å²	63.2	50%	0.497	28%	0.282	S	S	.	.	H	α-helix	trans	-57.4	-42	178.3	-172	164	0	0	0	112.3	C327 R328 D329	I325-C327 PolarHBondContact O-N 3.49Å; I325-R328 WeakPolarHBondContact O-CA 3.45Å; I325-R328 WeakPolarHBondContact O-CB 3.2Å; I325-R328 PolarHBondContact O-N 2.97Å; I325-D329 PolarHBondContact O-N 3.13Å
326	R	91.6	Very high	87.8	Confident	112 Å²	112	67.6 Å²	67.6	42%	0.423	31%	0.306	S	S	.	.	H	α-helix	trans	-62.9	-34.8	-176.9	-53.2	167.8	-70.4	178	1.3	111.1	P295 D324 R328 I330	P295-R326 HydrophobicContact CB-CB 3.93Å; P295-R326 HydrophobicContact CG-CB 3.95Å; D324-R326 VanDerWaalsContact C-N 3.3Å; D324-R326 PolarHBondContact O-N 3.07Å; D324-R326 VanDerWaalsContact OD1-CB 3.23Å; D324-R326 WeakPolarHBondContact OD1-CB 3.45Å; D324-R326 WeakPolarHBondContact OD1-CG 3.39Å; D324-R326 IonicContact OD1-CZ 3.91Å; D324-R326 PolarHBondContact OD1-N 3.26Å; D324-R326 IonicContact OD1-NE 3.26Å; D324-R326 PolarHBondContact OD1-NE 2.8Å; D324-R326 IonicContact OD1-NH2 3.91Å; D324-R326 IonicContact OD2-CZ 3.36Å; D324-R326 IonicContact OD2-NE 3.18Å; D324-R326 PolarHBondContact OD2-NE 3Å; D324-R326 IonicContact OD2-NH2 2.68Å; D324-R326 PolarHBondContact OD2-NH2 3.31Å; R326-R328 VanDerWaalsContact C-N 3.35Å; R326-I330 VanDerWaalsContact O-CD1 3.23Å; R326-I330 WeakPolarHBondContact O-CD1 3.5Å; R326-I330 WeakPolarHBondContact O-CG1 3.34Å; R326-I330 PolarHBondContact O-N 2.84Å
327	C	91.5	Very high	86.9	Confident	0 Å²	0	69.1 Å²	69.1	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-70.7	-30.8	175.9	-65.7	0	0	0	0	112.5	L298 I321 D324 I325 L331	L298-C327 HydrophobicContact CD2-CB 3.81Å; I321-C327 HydrophobicContact CB-CB 4.38Å; I321-C327 HydrophobicContact CG1-CB 4.5Å; I321-C327 HydrophobicContact CG2-CB 4.03Å; D324-C327 HydrophobicContact CB-CB 4.13Å; D324-C327 PolarHBondContact O-N 3.36Å; I325-C327 PolarHBondContact O-N 3.49Å; C327-L331 WeakPolarHBondContact O-CG 3.39Å; C327-L331 PolarHBondContact O-N 3.33Å
328	R	90.5	Very high	85.9	Confident	105 Å²	105	64.1 Å²	64.1	40%	0.396	30%	0.299	S	S	.	.	H	α-helix	trans	-73.4	-44.1	174.5	-58	-172.5	-54.7	-127.3	3.1	110.9	I321 R322 D324 I325 R326 I330 L331 D332	I321-R328 WeakPolarHBondContact O-CG 3.4Å; R322-R328 PolarHBondContact O-NH1 3.3Å; D324-R328 PolarHBondContact O-N 3.34Å; I325-R328 WeakPolarHBondContact O-CA 3.45Å; I325-R328 WeakPolarHBondContact O-CB 3.2Å; I325-R328 PolarHBondContact O-N 2.97Å; R326-R328 VanDerWaalsContact C-N 3.35Å; R328-I330 VanDerWaalsContact C-N 3.3Å; R328-I330 PolarHBondContact O-N 3.46Å; R328-L331 CarbonylContact O-C 3.51Å; R328-L331 WeakPolarHBondContact O-CA 3.42Å; R328-L331 WeakPolarHBondContact O-CB 3.21Å; R328-L331 PolarHBondContact O-N 3.19Å; R328-D332 PolarHBondContact O-N 3.41Å
329	D	89.8	Confident	84.6	Confident	77 Å²	77	68.7 Å²	68.7	41%	0.412	33%	0.325	S	S	.	.	H	α-helix	trans	-55.4	-46	177.1	-52.4	-25.5	0	0	0	110.7	I325 L331 D332 E333	I325-D329 PolarHBondContact O-N 3.13Å; D329-L331 VanDerWaalsContact C-N 3.31Å; D329-L331 PolarHBondContact O-N 2.76Å; D329-D332 PolarHBondContact O-N 3.39Å; D329-E333 PolarHBondContact O-N 3.17Å
330	I	88.8	Confident	82.9	Confident	7 Å²	7	69.3 Å²	69.3	4%	0.036	33%	0.325	C	S	.	.	H	α-helix	trans	-57.6	-39.3	173.4	-67.6	158.4	0	0	0	112.5	P295 L298 R299 L303 R326 R328 V334 F348	P295-I330 HydrophobicContact CB-CD1 4.02Å; P295-I330 WeakPolarHBondContact O-CD1 3.22Å; L298-I330 HydrophobicContact CD2-CB 4.46Å; L298-I330 HydrophobicContact CD2-CD1 4.34Å; L298-I330 HydrophobicContact CD2-CG2 4.25Å; L298-I330 HydrophobicContact CG-CG2 4.25Å; R299-I330 HydrophobicContact CG-CD1 3.55Å; R299-I330 HydrophobicContact CG-CG1 3.87Å; R299-I330 HydrophobicContact CG-CG2 4.39Å; L303-I330 HydrophobicContact CD1-CG2 3.62Å; R326-I330 VanDerWaalsContact O-CD1 3.23Å; R326-I330 WeakPolarHBondContact O-CD1 3.5Å; R326-I330 WeakPolarHBondContact O-CG1 3.34Å; R326-I330 PolarHBondContact O-N 2.84Å; R328-I330 VanDerWaalsContact C-N 3.3Å; R328-I330 PolarHBondContact O-N 3.46Å; I330-V334 VanDerWaalsContact O-CG2 3.23Å; I330-V334 WeakPolarHBondContact O-CG2 3.44Å; I330-V334 PolarHBondContact O-N 2.93Å; I330-V334 VanDerWaalsContact O-N 3.15Å; I330-F348 HydrophobicContact CG2-CZ 4.32Å
331	L	89	Confident	80.9	Confident	4 Å²	4	71.5 Å²	71.5	2%	0.021	35%	0.345	C	S	.	.	H	α-helix	trans	-75.3	-30.7	179.4	-70.7	177.4	0	0	0	112.9	L303 I311 I315 I321 C327 R328 D329 V334 R335	L303-L331 HydrophobicContact CD1-CD2 4.19Å; I311-L331 HydrophobicContact CG2-CD2 4.05Å; I315-L331 HydrophobicContact CG2-CD1 4.12Å; I315-L331 HydrophobicContact CG2-CD2 3.83Å; I321-L331 HydrophobicContact CG2-CD1 3.59Å; C327-L331 WeakPolarHBondContact O-CG 3.39Å; C327-L331 PolarHBondContact O-N 3.33Å; R328-L331 CarbonylContact O-C 3.51Å; R328-L331 WeakPolarHBondContact O-CA 3.42Å; R328-L331 WeakPolarHBondContact O-CB 3.21Å; R328-L331 PolarHBondContact O-N 3.19Å; D329-L331 VanDerWaalsContact C-N 3.31Å; D329-L331 PolarHBondContact O-N 2.76Å; L331-V334 PolarHBondContact O-N 3.37Å; L331-R335 VanDerWaalsContact O-CG 3.25Å; L331-R335 WeakPolarHBondContact O-CG 3.39Å; L331-R335 PolarHBondContact O-N 3.42Å
332	D	84.9	Confident	78.3	Confident	70 Å²	70	82.3 Å²	82.3	37%	0.374	39%	0.385	S	S	.	.	H	α-helix	trans	-73	-41.9	174.9	-70.9	-37	0	0	0	110.6	R328 D329 V334 R335 D336	R328-D332 PolarHBondContact O-N 3.41Å; D329-D332 PolarHBondContact O-N 3.39Å; D332-V334 VanDerWaalsContact C-N 3.28Å; D332-V334 PolarHBondContact O-N 3.22Å; D332-R335 WeakPolarHBondContact O-CB 3.34Å; D332-R335 PolarHBondContact O-N 3.32Å; D332-R335 VanDerWaalsContact O-N 3.07Å; D332-R335 WeakPolarHBondContact OD1-CD 3.27Å; D332-R335 IonicContact OD1-CZ 2.74Å; D332-R335 IonicContact OD1-NE 3.68Å; D332-R335 IonicContact OD1-NH1 3.37Å; D332-R335 PolarHBondContact OD1-NH1 3.47Å; D332-D336 PolarHBondContact O-N 2.89Å
333	E	84.1	Confident	75.8	Confident	79 Å²	79	82.6 Å²	82.6	37%	0.369	39%	0.39	S	S	.	.	H	α-helix	trans	-53.6	-43.3	167.6	-73.9	177.9	-151.2	0	0	112.3	D329 D336 V337	D329-E333 PolarHBondContact O-N 3.17Å; E333-D336 PolarHBondContact O-N 3.01Å; E333-V337 WeakPolarHBondContact O-CG2 3.43Å; E333-V337 PolarHBondContact O-N 3.43Å
334	V	82.1	Confident	73	Confident	0 Å²	0	81.4 Å²	81.4	0%	0	40%	0.397	C	S	.	.	H	α-helix	trans	-68.4	-35.8	178	169.3	0	0	0	0	112	L303 P304 I311 I330 L331 D332 V337 L338 F348	L303-V334 HydrophobicContact CB-CB 4.46Å; L303-V334 HydrophobicContact CB-CG1 4Å; L303-V334 HydrophobicContact CB-CG2 3.71Å; L303-V334 HydrophobicContact CD1-CG2 3.91Å; L303-V334 HydrophobicContact CG-CG2 4.48Å; P304-V334 HydrophobicContact CG-CG1 4.45Å; P304-V334 HydrophobicContact CG-CG2 4.45Å; I311-V334 HydrophobicContact CD1-CG1 4.11Å; I330-V334 VanDerWaalsContact O-CG2 3.23Å; I330-V334 WeakPolarHBondContact O-CG2 3.44Å; I330-V334 PolarHBondContact O-N 2.93Å; I330-V334 VanDerWaalsContact O-N 3.15Å; L331-V334 PolarHBondContact O-N 3.37Å; D332-V334 VanDerWaalsContact C-N 3.28Å; D332-V334 PolarHBondContact O-N 3.22Å; V334-V337 PolarHBondContact O-N 2.68Å; V334-L338 HydrophobicContact CG1-CD1 3.76Å; V334-L338 HydrophobicContact CG1-CG 4.34Å; V334-L338 WeakPolarHBondContact O-CB 3.34Å; V334-L338 WeakPolarHBondContact O-CD1 3.34Å; V334-L338 WeakPolarHBondContact O-CG 3.43Å; V334-L338 PolarHBondContact O-N 3.34Å; V334-F348 HydrophobicContact CG2-CE1 3.99Å; V334-F348 HydrophobicContact CG2-CE2 3.84Å; V334-F348 HydrophobicContact CG2-CZ 3.39Å
335	R	80	Confident	70.6	Confident	66 Å²	66	82.4 Å²	82.4	25%	0.249	41%	0.406	C	S	.	.	H	α-helix	trans	-63.7	-43.7	173.7	-73.3	163.4	-174.4	170.1	2.8	110.7	F312 S316 L331 D332 L338 L339	F312-R335 HydrophobicContact CE1-CG 4.28Å; F312-R335 HydrophobicContact CZ-CG 3.84Å; S316-R335 PolarHBondContact OG-NH2 3.46Å; L331-R335 VanDerWaalsContact O-CG 3.25Å; L331-R335 WeakPolarHBondContact O-CG 3.39Å; L331-R335 PolarHBondContact O-N 3.42Å; D332-R335 WeakPolarHBondContact O-CB 3.34Å; D332-R335 PolarHBondContact O-N 3.32Å; D332-R335 VanDerWaalsContact O-N 3.07Å; D332-R335 WeakPolarHBondContact OD1-CD 3.27Å; D332-R335 IonicContact OD1-CZ 2.74Å; D332-R335 IonicContact OD1-NE 3.68Å; D332-R335 IonicContact OD1-NH1 3.37Å; D332-R335 PolarHBondContact OD1-NH1 3.47Å; R335-L338 PolarHBondContact O-N 2.88Å; R335-L339 WeakPolarHBondContact O-CB 3.42Å; R335-L339 VanDerWaalsContact O-CG 3.22Å; R335-L339 WeakPolarHBondContact O-CG 3.39Å; R335-L339 PolarHBondContact O-N 3.3Å
336	D	75.4	Confident	68.4	Low	92 Å²	92	86.5 Å²	86.5	49%	0.492	42%	0.423	S	S	.	.	H	α-helix	trans	-61.4	-46.2	177	-69.8	-16.5	0	0	0	110.8	D332 E333 L338 L339 M340	D332-D336 PolarHBondContact O-N 2.89Å; E333-D336 PolarHBondContact O-N 3.01Å; D336-L338 VanDerWaalsContact C-N 3.31Å; D336-L338 PolarHBondContact O-N 3.18Å; D336-L339 PolarHBondContact O-N 3.06Å; D336-M340 HydrophobicContact CB-SD 4.3Å; D336-M340 WeakPolarHBondContact O-CB 3.44Å; D336-M340 WeakPolarHBondContact O-CG 3.29Å; D336-M340 PolarHBondContact O-N 3.31Å
337	V	69.1	Low	66.4	Low	52 Å²	52	87.9 Å²	87.9	32%	0.315	43%	0.432	S	S	.	.	H	α-helix	trans	-60.5	-35.8	174.5	170.7	0	0	0	0	113	P304 E333 V334	P304-V337 HydrophobicContact CG-CG1 4.48Å; E333-V337 WeakPolarHBondContact O-CG2 3.43Å; E333-V337 PolarHBondContact O-N 3.43Å; V334-V337 PolarHBondContact O-N 2.68Å
338	L	68.4	Low	64.3	Low	63 Å²	63	88.9 Å²	88.9	33%	0.33	44%	0.436	S	S	.	.	H	α-helix	trans	-76.4	-25	177.8	-72.1	167.3	0	0	0	113.3	V308 I311 V334 R335 D336	V308-L338 HydrophobicContact CG2-CD1 4.15Å; V308-L338 HydrophobicContact CG2-CD2 4.27Å; I311-L338 HydrophobicContact CD1-CD1 3.77Å; V334-L338 HydrophobicContact CG1-CD1 3.76Å; V334-L338 HydrophobicContact CG1-CG 4.34Å; V334-L338 WeakPolarHBondContact O-CB 3.34Å; V334-L338 WeakPolarHBondContact O-CD1 3.34Å; V334-L338 WeakPolarHBondContact O-CG 3.43Å; V334-L338 PolarHBondContact O-N 3.34Å; R335-L338 PolarHBondContact O-N 2.88Å; D336-L338 VanDerWaalsContact C-N 3.31Å; D336-L338 PolarHBondContact O-N 3.18Å
339	L	63.3	Low	62.3	Low	141 Å²	141	89 Å²	89	74%	0.738	45%	0.445	S	S	*	.	H	α-helix	trans	-89	-36.5	176.7	-68.8	167.7	0	0	0	112.1	R335 D336 S341	R335-L339 WeakPolarHBondContact O-CB 3.42Å; R335-L339 VanDerWaalsContact O-CG 3.22Å; R335-L339 WeakPolarHBondContact O-CG 3.39Å; R335-L339 PolarHBondContact O-N 3.3Å; D336-L339 PolarHBondContact O-N 3.06Å; L339-S341 PolarHBondContact O-N 2.91Å
340	M	53.8	Low	60.4	Low	116 Å²	116	88.2 Å²	88.2	57%	0.571	45%	0.445	S	S	*	.	S	Bend	trans	-92.8	82.6	-178.6	-65.8	169.7	50.7	0	0	110.6	D336 W342	D336-M340 HydrophobicContact CB-SD 4.3Å; D336-M340 WeakPolarHBondContact O-CB 3.44Å; D336-M340 WeakPolarHBondContact O-CG 3.29Å; D336-M340 PolarHBondContact O-N 3.31Å; M340-W342 PolarHBondContact O-N 3.43Å
341	S	48.1	Very low	58.8	Low	90 Å²	90	94.9 Å²	94.9	63%	0.629	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	130.6	178.4	66	0	0	0	0	112.2	L339 K343	L339-S341 PolarHBondContact O-N 2.91Å; S341-K343 PolarHBondContact O-N 3.4Å
342	W	35	Very low	57.1	Low	227 Å²	227	96.5 Å²	96.5	86%	0.86	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.2	18.6	160.4	76.7	-80.7	0	0	0	121	M340	M340-W342 PolarHBondContact O-N 3.43Å
343	K	35.7	Very low	56.2	Low	153 Å²	153	94 Å²	94	67%	0.665	47%	0.465	S	S	*	.	S	Bend	trans	-129	125.8	163.4	-72.2	-172.2	178.7	179.7	0	113.6	S341	S341-K343 PolarHBondContact O-N 3.4Å
344	T	32.3	Very low	54.6	Low	133 Å²	133	98 Å²	98	82%	0.816	48%	0.477	S	S	*	.			trans	52.1	100.1	164.8	54.2	0	0	0	0	118
345	S	38.5	Very low	53	Low	46 Å²	46	98.8 Å²	98.8	32%	0.322	48%	0.483	S	S	.	.			trans	-142.1	106.5	139.7	-173.8	0	0	0	0	109.1	F347	S345-F347 PolarHBondContact O-N 2.83Å; S345-F347 PolarHBondContact OG-N 3.29Å
346	E	45.4	Very low	51.4	Low	184 Å²	184	102.6 Å²	102.6	86%	0.86	50%	0.503	S	S	*	.	S	Bend	trans	-76.3	-2.7	168.4	-63.2	-174.2	148	0	0	111.6
347	F	48.2	Very low	50.3	Low	141 Å²	141	98.4 Å²	98.4	62%	0.618	48%	0.481	S	S	*	.	S	Bend	trans	-99.3	-13.7	-166.5	-55.8	-69	0	0	0	114.6	S345	S345-F347 PolarHBondContact O-N 2.83Å; S345-F347 PolarHBondContact OG-N 3.29Å
348	F	47.5	Very low	49.7	Very low	21 Å²	21	99.6 Å²	99.6	9%	0.092	49%	0.485	C	S	.	.			trans	-117.3	121.6	172.4	-77.4	-85	0	0	0	111.3	P304 I330 V334 C350	P304-F348 HydrophobicContact CG-CD1 4.31Å; P304-F348 HydrophobicContact CG-CG 4.23Å; I330-F348 HydrophobicContact CG2-CZ 4.32Å; V334-F348 HydrophobicContact CG2-CE1 3.99Å; V334-F348 HydrophobicContact CG2-CE2 3.84Å; V334-F348 HydrophobicContact CG2-CZ 3.39Å; F348-C350 VanDerWaalsContact CB-SG 3.57Å; F348-C350 PolarHBondContact O-N 3.18Å
349	N	48.3	Very low	49.8	Very low	108 Å²	108	99.7 Å²	99.7	58%	0.578	48%	0.483	S	S	*	.			trans	-78.3	71.8	175.3	-159.2	8.6	0	0	0	110.1	R302 R351	R302-N349 VanDerWaalsContact CD-O 3.23Å; R302-N349 WeakPolarHBondContact CD-O 3.43Å; R302-N349 PolarHBondContact NE-O 3.03Å; N349-R351 PolarHBondContact O-N 3.23Å
350	C	50.8	Low	50.5	Low	60 Å²	60	93 Å²	93	41%	0.405	45%	0.448	S	S	.	.			trans	-69.8	24.9	-168.9	-73.4	0	0	0	0	116.3	F348	F348-C350 VanDerWaalsContact CB-SG 3.57Å; F348-C350 PolarHBondContact O-N 3.18Å
351	R	55.3	Low	52.1	Low	146 Å²	146	87.9 Å²	87.9	55%	0.551	42%	0.423	S	S	*	.	P	Polyproline II helix	trans	-77	128.1	171.1	-66.4	-175.9	174.8	-155.8	-0.4	109.5	R302 N349	R302-R351 WeakPolarHBondContact CD-O 3.35Å; R302-R351 PolarHBondContact NE-O 3.35Å; R302-R351 PolarHBondContact NH1-O 2.9Å; R302-R351 PolarHBondContact NH2-O 3.32Å; N349-R351 PolarHBondContact O-N 3.23Å
352	P	53.9	Low	54.3	Low	38 Å²	38	83.7 Å²	83.7	25%	0.247	39%	0.393	C	S	.	.	P	Polyproline II helix	trans	-60	146.3	175.6	-25.4	35.5	0	0	0	112.9	L305 F359 F806	L305-P352 HydrophobicContact CD1-CB 4.21Å; L305-P352 HydrophobicContact CD1-CG 4.12Å; P352-F359 HydrophobicContact CB-CB 4.15Å; P352-F359 HydrophobicContact CB-CG 4.33Å; P352-F806 HydrophobicContact CG-CD2 4.03Å; P352-F806 HydrophobicContact CG-CG 4.43Å
353	R	64.3	Low	57.2	Low	17 Å²	17	73.5 Å²	73.5	6%	0.064	36%	0.355	C	S	.	.	P	Polyproline II helix	trans	-68.4	153.1	174.6	-119.6	161.4	-110.1	-83.4	12.4	110.4	L193 S195 D196 L198 E203 R300 R302 C355	L193-R353 VanDerWaalsContact O-CZ 3.28Å; L193-R353 PolarHBondContact O-NH1 3.17Å; L193-R353 PolarHBondContact O-NH2 3.01Å; S195-R353 PolarHBondContact O-NH1 3.04Å; D196-R353 WeakPolarHBondContact O-CA 3.36Å; L198-R353 HydrophobicContact CB-CG 4.06Å; L198-R353 WeakPolarHBondContact O-CD 3.28Å; L198-R353 WeakPolarHBondContact O-CG 3.45Å; E203-R353 IonicContact OE1-NE 2.77Å; E203-R353 PolarHBondContact OE1-NE 2.88Å; E203-R353 IonicContact OE2-NE 2.71Å; R300-R353 PolarHBondContact O-NH2 3.01Å; R302-R353 VanDerWaalsContact NH1-CA 3.35Å; R353-C355 VanDerWaalsContact C-N 3.27Å; R353-C355 PolarHBondContact O-N 3.4Å
354	R	51.9	Low	60	Low	163 Å²	163	66.2 Å²	66.2	62%	0.615	32%	0.323	S	S	*	.			trans	-73	75	178.1	-166.7	176.8	-173.7	175.6	5.2	112.2	D196 E197 N199	D196-R354 PolarHBondContact O-N 3.16Å; E197-R354 WeakPolarHBondContact OE2-CD 3.2Å; E197-R354 IonicContact OE2-CZ 2.72Å; E197-R354 IonicContact OE2-NE 3.06Å; E197-R354 IonicContact OE2-NH1 3.73Å; E197-R354 PolarHBondContact OE2-NH1 3.11Å; N199-R354 VanDerWaalsContact CA-O 3.28Å; N199-R354 WeakPolarHBondContact CA-O 3.13Å; N199-R354 WeakPolarHBondContact CB-O 3.33Å
355	C	46.9	Very low	62.9	Low	18 Å²	18	59.9 Å²	59.9	12%	0.122	28%	0.284	C	S	.	.			trans	-68.3	152.6	169.2	-170.8	0	0	0	0	111.1	N199 V200 R353 D357 F359	N199-C355 WeakPolarHBondContact OD1-CA 3.43Å; V200-C355 PolarHBondContact O-SG 3.37Å; V200-C355 VanDerWaalsContact O-SG 3.4Å; R353-C355 VanDerWaalsContact C-N 3.27Å; R353-C355 PolarHBondContact O-N 3.4Å; C355-D357 HydrophobicContact CB-CB 4.41Å; C355-D357 PolarHBondContact O-N 2.88Å; C355-D357 PolarHBondContact SG-N 2.84Å; C355-D357 VanDerWaalsContact SG-N 3.37Å; C355-F359 HydrophobicContact CB-CD2 3.99Å; C355-F359 HydrophobicContact CB-CE2 3.77Å
356	Q	47.5	Very low	65.5	Low	145 Å²	145	57.7 Å²	57.7	68%	0.678	27%	0.269	S	S	*	.	S	Bend	trans	-51.8	-30.7	163	-79	172	12.7	0	0	112.2	N199	N199-Q356 PolarHBondContact ND2-NE2 3.22Å; N199-Q356 PolarHBondContact OD1-N 3.4Å
357	D	53	Low	67.5	Low	5 Å²	5	48.9 Å²	48.9	3%	0.027	23%	0.228	C	C	.	.	S	Bend	trans	-80.2	117.9	172	-64.2	-41.5	0	0	0	109.6	C355 F359 R573 G629	C355-D357 HydrophobicContact CB-CB 4.41Å; C355-D357 PolarHBondContact O-N 2.88Å; C355-D357 PolarHBondContact SG-N 2.84Å; C355-D357 VanDerWaalsContact SG-N 3.37Å; D357-F359 VanDerWaalsContact O-CD2 3.29Å; D357-F359 WeakPolarHBondContact O-CD2 3.23Å; D357-F359 PolarHBondContact O-N 3.13Å; D357-F359 VanDerWaalsContact O-N 3.1Å; D357-R573 IonicContact OD1-CZ 3.92Å; D357-R573 IonicContact OD1-NE 3.84Å; D357-R573 PolarHBondContact OD1-NE 2.82Å; D357-R573 IonicContact OD1-NH2 3.81Å; D357-R573 PolarHBondContact OD1-NH2 3.45Å; D357-R573 VanDerWaalsContact OD1-NH2 3.13Å; D357-R573 IonicContact OD2-CZ 3.48Å; D357-R573 IonicContact OD2-NH2 2.8Å; D357-R573 PolarHBondContact OD2-NH2 2.87Å; D357-G629 VanDerWaalsContact CB-CA 3.49Å; D357-G629 WeakPolarHBondContact OD1-CA 2.99Å; D357-G629 WeakPolarHBondContact OD2-CA 3.33Å
358	I	56.5	Low	69.2	Low	76 Å²	76	44.5 Å²	44.5	39%	0.39	21%	0.207	S	C	.	.	P	Polyproline II helix	trans	-50.9	119.9	174.2	-62.2	169.1	0	0	0	108.6	T627 A628 V803 P805	I358-T627 CarbonylContact O-C 3.58Å; I358-T627 WeakPolarHBondContact O-CA 3.18Å; I358-T627 PolarHBondContact O-OG1 2.85Å; I358-A628 PolarHBondContact O-N 2.87Å; I358-V803 HydrophobicContact CG2-CG1 4.04Å; I358-P805 HydrophobicContact CG2-CB 4.16Å; I358-P805 HydrophobicContact CG2-CG 4.03Å
359	F	69	Low	70.7	Confident	66 Å²	66	45.4 Å²	45.4	29%	0.289	21%	0.213	S	C	.	.	P	Polyproline II helix	trans	-96.3	118.1	166.6	-86.1	-90.7	0	0	0	108.2	P352 C355 D357 A628 P805 F806	P352-F359 HydrophobicContact CB-CB 4.15Å; P352-F359 HydrophobicContact CB-CG 4.33Å; C355-F359 HydrophobicContact CB-CD2 3.99Å; C355-F359 HydrophobicContact CB-CE2 3.77Å; D357-F359 VanDerWaalsContact O-CD2 3.29Å; D357-F359 WeakPolarHBondContact O-CD2 3.23Å; D357-F359 PolarHBondContact O-N 3.13Å; D357-F359 VanDerWaalsContact O-N 3.1Å; F359-A628 HydrophobicContact CD1-CB 3.89Å; F359-A628 HydrophobicContact CE1-CB 3.48Å; F359-A628 VanDerWaalsContact CE1-CB 3.48Å; F359-A628 HydrophobicContact CZ-CB 4.03Å; F359-P805 CarbonylContact O-C 3.59Å; F359-P805 WeakPolarHBondContact O-CA 3.4Å; F359-F806 VanDerWaalsContact C-CD2 3.49Å; F359-F806 HydrophobicContact CB-CD2 4.08Å; F359-F806 WeakPolarHBondContact O-CD2 3.24Å; F359-F806 PolarHBondContact O-N 3.16Å
360	G	78.8	Confident	71.9	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.9	169.1	-175.5	0	0	0	0	0	113.2	T627 L804	G360-T627 PolarHBondContact N-OG1 3.09Å; G360-T627 PolarHBondContact O-OG1 3.47Å; G360-L804 CarbonylContact C-O 3.6Å; G360-L804 WeakPolarHBondContact CA-O 3.44Å
361	V	88.4	Confident	73.2	Confident	9 Å²	9	46.6 Å²	46.6	6%	0.055	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	135	178.7	-166.1	0	0	0	0	108.6	Y363 I380 Y381 V803 L804 F806	V361-Y363 HydrophobicContact CB-CE2 4.08Å; V361-Y363 HydrophobicContact CG1-CE2 4.32Å; V361-I380 HydrophobicContact CB-CG2 4.49Å; V361-I380 HydrophobicContact CG1-CG2 3.14Å; V361-Y381 WeakPolarHBondContact CG1-O 3.38Å; V361-V803 WeakPolarHBondContact O-CA 3.47Å; V361-L804 PolarHBondContact N-O 2.92Å; V361-L804 PolarHBondContact O-N 2.9Å; V361-F806 HydrophobicContact CG2-CD1 4.4Å; V361-F806 HydrophobicContact CG2-CE1 3.43Å; V361-F806 VanDerWaalsContact CG2-CE1 3.43Å; V361-F806 HydrophobicContact CG2-CE2 4.32Å; V361-F806 HydrophobicContact CG2-CZ 3.39Å
362	I	93.6	Very high	74.2	Confident	1 Å²	1	44.4 Å²	44.4	1%	0.005	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	128.5	178.4	-39.9	177	0	0	0	108.6	I380 Y381 W388 A625 T627 Y632 I634 I801 C802 V803	I362-I380 CarbonylContact O-C 3.55Å; I362-I380 WeakPolarHBondContact O-CA 3.34Å; I362-Y381 HydrophobicContact CD1-CD1 3.7Å; I362-Y381 HydrophobicContact CD1-CE1 4.47Å; I362-Y381 HydrophobicContact CD1-CG 4.44Å; I362-Y381 HydrophobicContact CG1-CD1 4.1Å; I362-Y381 PolarHBondContact N-O 2.79Å; I362-Y381 PolarHBondContact O-N 3.01Å; I362-W388 HydrophobicContact CB-CH2 4.46Å; I362-W388 HydrophobicContact CG2-CH2 4.38Å; I362-A625 HydrophobicContact CB-CB 4.49Å; I362-A625 HydrophobicContact CD1-CB 3.9Å; I362-A625 HydrophobicContact CG1-CB 4.18Å; I362-A625 HydrophobicContact CG2-CB 3.55Å; I362-T627 HydrophobicContact CD1-CG2 3.77Å; I362-T627 HydrophobicContact CG1-CG2 3.68Å; I362-Y632 HydrophobicContact CD1-CD1 4.41Å; I362-Y632 HydrophobicContact CD1-CD2 3.86Å; I362-Y632 HydrophobicContact CD1-CE2 4.26Å; I362-Y632 HydrophobicContact CD1-CG 3.94Å; I362-I634 HydrophobicContact CD1-CD1 4.17Å; I362-I634 HydrophobicContact CG2-CD1 3.82Å; I362-I801 HydrophobicContact CG2-CG2 3.95Å; I362-C802 CarbonylContact C-O 3.59Å; I362-C802 WeakPolarHBondContact CA-O 3.4Å; I362-C802 WeakPolarHBondContact CG2-O 3.42Å; I362-V803 HydrophobicContact CG1-CG2 4.25Å; I362-V803 HydrophobicContact CG2-CG2 4.33Å
363	Y	94.7	Very high	75.7	Confident	13 Å²	13	48 Å²	48	5%	0.051	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	128.9	173.1	-74.2	-102.9	0	0	0	109.5	V361 V378 E379 I380 L410 Y428 I801 C802 L804	V361-Y363 HydrophobicContact CB-CE2 4.08Å; V361-Y363 HydrophobicContact CG1-CE2 4.32Å; Y363-V378 HydrophobicContact CD1-CG1 4.03Å; Y363-E379 WeakPolarHBondContact CA-O 3.14Å; Y363-I380 HydrophobicContact CD1-CD1 4.04Å; Y363-I380 HydrophobicContact CD1-CG1 3.8Å; Y363-I380 HydrophobicContact CE1-CD1 3.33Å; Y363-I380 HydrophobicContact CE1-CG1 3.62Å; Y363-L410 HydrophobicContact CD1-CD2 3.54Å; Y363-L410 HydrophobicContact CD2-CD2 4.4Å; Y363-L410 HydrophobicContact CE1-CD2 4.17Å; Y363-L410 HydrophobicContact CG-CD2 3.68Å; Y363-Y428 HydrophobicContact CE1-CD1 4.29Å; Y363-Y428 AromaticContact CE1-CE1 3.86Å; Y363-Y428 HydrophobicContact CE1-CE1 3.86Å; Y363-I801 WeakPolarHBondContact O-CA 3.45Å; Y363-C802 PolarHBondContact N-O 2.88Å; Y363-C802 PolarHBondContact O-N 3.39Å; Y363-L804 HydrophobicContact CD2-CB 3.98Å; Y363-L804 HydrophobicContact CE2-CB 3.65Å; Y363-L804 HydrophobicContact CE2-CD2 4.06Å
364	A	94.8	Very high	76.9	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	118.6	169	0	0	0	0	0	108.4	V378 E379 W388 L792 H795 V799 I801	A364-V378 CarbonylContact O-C 3.51Å; A364-V378 VanDerWaalsContact O-CA 3.31Å; A364-V378 WeakPolarHBondContact O-CA 3.46Å; A364-E379 HydrophobicContact CB-CB 4.11Å; A364-E379 PolarHBondContact N-O 3.15Å; A364-E379 PolarHBondContact O-N 3.33Å; A364-W388 HydrophobicContact CB-CH2 4.16Å; A364-W388 HydrophobicContact CB-CZ3 3.73Å; A364-L792 HydrophobicContact CB-CD2 3.87Å; A364-H795 PolarHBondContact O-CE1 3.37Å; A364-V799 HydrophobicContact CB-CG1 3.73Å; A364-I801 HydrophobicContact CB-CD1 3.72Å
365	V	94.6	Very high	78.7	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	117.3	-162	177.7	0	0	0	0	110.2	V378 M394 I401 V403 L410 W435 G800	V365-V378 HydrophobicContact CG1-CG2 4.37Å; V365-V378 HydrophobicContact CG2-CG1 4.16Å; V365-V378 HydrophobicContact CG2-CG2 4.47Å; V365-M394 HydrophobicContact CG1-CE 3.66Å; V365-M394 HydrophobicContact CG1-CG 4.12Å; V365-M394 HydrophobicContact CG1-SD 3.32Å; V365-M394 WeakPolarHBondContact CG1-SD 3.13Å; V365-I401 HydrophobicContact CG1-CD1 4.47Å; V365-V403 HydrophobicContact CB-CG1 4.48Å; V365-V403 HydrophobicContact CB-CG2 4.13Å; V365-V403 HydrophobicContact CG1-CG2 4.29Å; V365-V403 HydrophobicContact CG2-CG1 4.2Å; V365-L410 HydrophobicContact CG2-CD2 4.11Å; V365-W435 HydrophobicContact CG1-CH2 4.27Å; V365-G800 PolarHBondContact N-O 2.86Å; V365-G800 WeakPolarHBondContact O-CA 3.42Å; V365-G800 PolarHBondContact O-N 2.86Å
366	G	92.3	Very high	80.9	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	59.3	-174.1	-179.9	0	0	0	0	0	113.9	I377 R398 H795	G366-I377 PolarHBondContact N-O 3.17Å; G366-R398 CarbonylContact C-O 3.53Å; G366-R398 VanDerWaalsContact CA-O 3.3Å; G366-R398 WeakPolarHBondContact CA-O 3.42Å; G366-H795 VanDerWaalsContact C-NE2 3.3Å; G366-H795 WeakPolarHBondContact CA-NE2 3.19Å; G366-H795 PolarHBondContact N-NE2 2.96Å; G366-H795 PolarHBondContact O-CD2 2.76Å; G366-H795 PolarHBondContact O-NE2 3.04Å
367	G	87.7	Confident	83.1	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	132.7	-150.3	-172.3	0	0	0	0	0	111.2	H375 R398 W798	G367-H375 PolarHBondContact O-CD2 3.45Å; G367-H375 PolarHBondContact O-N 3.39Å; G367-R398 PolarHBondContact N-O 2.9Å; G367-W798 WeakPolarHBondContact CA-O 3.24Å
368	W	84.3	Confident	85.1	Confident	49 Å²	49	35.5 Å²	35.5	19%	0.186	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	150.8	173.8	-62.5	-21	0	0	0	110.3	L372 E373 H375 S399 E796	W368-L372 HydrophobicContact CE3-CD2 4.05Å; W368-L372 HydrophobicContact CZ3-CD2 4.46Å; W368-E373 VanDerWaalsContact CA-O 3.27Å; W368-E373 WeakPolarHBondContact CA-O 3.29Å; W368-H375 VanDerWaalsContact C-NE2 3.28Å; W368-H375 PolarHBondContact O-NE2 3.22Å; W368-S399 PolarHBondContact NE1-OG 2.75Å; W368-E796 PolarHBondContact N-O 2.81Å; W368-E796 CarbonylContact O-C 3.48Å; W368-E796 WeakPolarHBondContact O-CA 3.49Å; W368-E796 WeakPolarHBondContact O-CB 3.41Å; W368-E796 PolarHBondContact O-N 3.48Å
369	N	78	Confident	86.8	Confident	39 Å²	39	31.9 Å²	31.9	21%	0.209	17%	0.17	C	C	.	.			trans	-87.2	179.5	165.9	66.4	-10.1	0	0	0	110	D371 L372 E373 H375	N369-D371 PolarHBondContact ND2-OD2 2.88Å; N369-D371 PolarHBondContact O-N 2.82Å; N369-D371 PolarHBondContact OD1-N 3.3Å; N369-L372 PolarHBondContact O-N 2.65Å; N369-L372 PolarHBondContact OD1-N 3.35Å; N369-E373 PolarHBondContact N-O 3.37Å; N369-E373 WeakPolarHBondContact OD1-CA 3Å; N369-E373 WeakPolarHBondContact OD1-CB 3.46Å; N369-E373 PolarHBondContact OD1-N 3.36Å; N369-E373 PolarHBondContact OD1-O 3.1Å; N369-H375 PolarHBondContact N-CD2 3.5Å
370	A	74	Confident	88	Confident	66 Å²	66	29.4 Å²	29.4	55%	0.545	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-27.1	175.2	0	0	0	0	0	113.3	L372	A370-L372 PolarHBondContact O-N 3.28Å
371	D	78.2	Confident	88.6	Confident	128 Å²	128	30.2 Å²	30.2	68%	0.684	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.3	4.9	176.7	-46.2	-59.9	0	0	0	113.4	N369 E373	N369-D371 PolarHBondContact ND2-OD2 2.88Å; N369-D371 PolarHBondContact O-N 2.82Å; N369-D371 PolarHBondContact OD1-N 3.3Å; D371-E373 PolarHBondContact O-N 2.86Å
372	L	76.9	Confident	88.2	Confident	100 Å²	100	31.9 Å²	31.9	52%	0.524	17%	0.17	S	C	.	.			trans	63.6	16.4	-177.3	-54.9	172.8	0	0	0	114.9	W368 N369 A370	W368-L372 HydrophobicContact CE3-CD2 4.05Å; W368-L372 HydrophobicContact CZ3-CD2 4.46Å; N369-L372 PolarHBondContact O-N 2.65Å; N369-L372 PolarHBondContact OD1-N 3.35Å; A370-L372 PolarHBondContact O-N 3.28Å
373	E	84.9	Confident	87.4	Confident	114 Å²	114	33.3 Å²	33.3	53%	0.533	18%	0.179	S	C	.	.			trans	-83.9	144.2	174.5	-66.1	-154.5	165.4	0	0	112.9	W368 N369 D371 K397	W368-E373 VanDerWaalsContact CA-O 3.27Å; W368-E373 WeakPolarHBondContact CA-O 3.29Å; N369-E373 PolarHBondContact N-O 3.37Å; N369-E373 WeakPolarHBondContact OD1-CA 3Å; N369-E373 WeakPolarHBondContact OD1-CB 3.46Å; N369-E373 PolarHBondContact OD1-N 3.36Å; N369-E373 PolarHBondContact OD1-O 3.1Å; D371-E373 PolarHBondContact O-N 2.86Å; E373-K397 IonicContact OE2-NZ 3.63Å
374	C	88.4	Confident	86.2	Confident	8 Å²	8	37.2 Å²	37.2	5%	0.054	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	138.3	170.4	-165.7	0	0	0	0	111.4	K397 R398 S399 F416 D417	C374-K397 HydrophobicContact CB-CB 4.41Å; C374-K397 WeakPolarHBondContact O-CD 3.37Å; C374-K397 WeakPolarHBondContact O-CE 3.38Å; C374-K397 PolarHBondContact O-NZ 3.42Å; C374-K397 VanDerWaalsContact O-NZ 3.11Å; C374-R398 VanDerWaalsContact SG-CA 3.57Å; C374-R398 PolarHBondContact SG-N 3.34Å; C374-R398 VanDerWaalsContact SG-N 3.37Å; C374-S399 PolarHBondContact SG-N 2.77Å; C374-S399 VanDerWaalsContact SG-N 3.37Å; C374-F416 PolarHBondContact SG-O 2.86Å; C374-D417 WeakPolarHBondContact CB-O 3.37Å
375	H	91.2	Very high	85.1	Confident	14 Å²	14	41.4 Å²	41.4	7%	0.065	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	169.1	-179.9	64.2	84.7	0	0	0	113.8	G367 W368 N369 I377 R398 H795	G367-H375 PolarHBondContact O-CD2 3.45Å; G367-H375 PolarHBondContact O-N 3.39Å; W368-H375 VanDerWaalsContact C-NE2 3.28Å; W368-H375 PolarHBondContact O-NE2 3.22Å; N369-H375 PolarHBondContact N-CD2 3.5Å; H375-I377 HydrophobicContact CB-CG1 4.4Å; H375-I377 WeakPolarHBondContact ND1-CB 3.49Å; H375-I377 PolarHBondContact ND1-N 2.83Å; H375-R398 PolarHBondContact O-N 3.35Å; H375-H795 AromaticContact CE1-CD2 3.37Å; H375-H795 PolarHBondContact CE1-CD2 2.82Å; H375-H795 AromaticContact CE1-NE2 3.45Å; H375-H795 PolarHBondContact CE1-NE2 3.35Å; H375-H795 AromaticContact NE2-CD2 3.96Å
376	G	92.2	Very high	84.4	Confident	10 Å²	10	43.1 Å²	43.1	10%	0.103	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	-3.8	177.7	0	0	0	0	0	115	S393 M394	G376-S393 WeakPolarHBondContact O-CA 3.15Å; G376-M394 PolarHBondContact O-N 2.65Å
377	I	93.7	Very high	84	Confident	51 Å²	51	49.1 Å²	49.1	26%	0.262	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-52.8	140.5	-175.2	-55.5	168.9	0	0	0	112.1	G366 H375 L390 A794 H795	G366-I377 PolarHBondContact N-O 3.17Å; H375-I377 HydrophobicContact CB-CG1 4.4Å; H375-I377 WeakPolarHBondContact ND1-CB 3.49Å; H375-I377 PolarHBondContact ND1-N 2.83Å; I377-L390 HydrophobicContact CG2-CD2 3.65Å; I377-A794 HydrophobicContact CD1-CB 4.38Å; I377-H795 PolarHBondContact O-CE1 3.11Å; I377-H795 VanDerWaalsContact O-CE1 3.28Å; I377-H795 PolarHBondContact O-NE2 2.71Å
378	V	94.3	Very high	84.1	Confident	1 Å²	1	50.1 Å²	50.1	1%	0.006	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	130.9	175	-179	0	0	0	0	109.2	Y363 A364 V365 S391 E392 M394 W435 H795	Y363-V378 HydrophobicContact CD1-CG1 4.03Å; A364-V378 CarbonylContact O-C 3.51Å; A364-V378 VanDerWaalsContact O-CA 3.31Å; A364-V378 WeakPolarHBondContact O-CA 3.46Å; V365-V378 HydrophobicContact CG1-CG2 4.37Å; V365-V378 HydrophobicContact CG2-CG1 4.16Å; V365-V378 HydrophobicContact CG2-CG2 4.47Å; V378-S391 PolarHBondContact O-N 2.89Å; V378-E392 WeakPolarHBondContact CG2-O 3.45Å; V378-M394 HydrophobicContact CG2-CG 4.32Å; V378-W435 HydrophobicContact CG2-CZ2 3.77Å; V378-H795 WeakPolarHBondContact CA-CE1 3.44Å
379	E	93.9	Very high	84.5	Confident	0 Å²	0	51 Å²	51	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	148	173.7	-73.4	178.1	-144.4	0	0	109.9	Y363 A364 W388 E389 L390 L792 I793 A794 H795	Y363-E379 WeakPolarHBondContact CA-O 3.14Å; A364-E379 HydrophobicContact CB-CB 4.11Å; A364-E379 PolarHBondContact N-O 3.15Å; A364-E379 PolarHBondContact O-N 3.33Å; E379-W388 HydrophobicContact CB-CE3 3.87Å; E379-W388 HydrophobicContact CB-CZ3 4.32Å; E379-E389 CarbonylContact C-O 3.56Å; E379-E389 WeakPolarHBondContact CA-O 3.5Å; E379-L390 HydrophobicContact CG-CD2 3.81Å; E379-L792 WeakPolarHBondContact OE2-CA 3.24Å; E379-I793 HydrophobicContact CG-CB 4.4Å; E379-I793 HydrophobicContact CG-CD1 4.41Å; E379-I793 PolarHBondContact OE1-N 3.3Å; E379-I793 PolarHBondContact OE2-N 3.3Å; E379-A794 WeakPolarHBondContact OE1-CA 3.03Å; E379-A794 PolarHBondContact OE1-N 2.99Å; E379-H795 VanDerWaalsContact CA-CE1 3.46Å; E379-H795 WeakPolarHBondContact CA-CE1 3.39Å; E379-H795 WeakPolarHBondContact CB-CE1 3.5Å; E379-H795 WeakPolarHBondContact CG-CE1 3.38Å; E379-H795 WeakPolarHBondContact CG-ND1 3.21Å; E379-H795 PolarHBondContact N-CE1 3.02Å; E379-H795 IonicContact OE1-CG 2.88Å; E379-H795 PolarHBondContact OE1-N 3.15Å; E379-H795 IonicContact OE1-ND1 3.21Å; E379-H795 PolarHBondContact OE1-ND1 2.82Å; E379-H795 IonicContact OE2-ND1 3.05Å
380	I	92.9	Very high	85.1	Confident	15 Å²	15	54.4 Å²	54.4	8%	0.077	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	121.7	-173.5	-62.4	-170.7	0	0	0	109.2	V361 I362 Y363 H382 W388 E389 S391	V361-I380 HydrophobicContact CB-CG2 4.49Å; V361-I380 HydrophobicContact CG1-CG2 3.14Å; I362-I380 CarbonylContact O-C 3.55Å; I362-I380 WeakPolarHBondContact O-CA 3.34Å; Y363-I380 HydrophobicContact CD1-CD1 4.04Å; Y363-I380 HydrophobicContact CD1-CG1 3.8Å; Y363-I380 HydrophobicContact CE1-CD1 3.33Å; Y363-I380 HydrophobicContact CE1-CG1 3.62Å; I380-H382 VanDerWaalsContact CG2-NE2 3.34Å; I380-H382 WeakPolarHBondContact CG2-NE2 3.34Å; I380-W388 CarbonylContact O-C 3.56Å; I380-W388 VanDerWaalsContact O-CA 3.27Å; I380-W388 WeakPolarHBondContact O-CA 3.33Å; I380-E389 PolarHBondContact N-O 3.16Å; I380-E389 PolarHBondContact O-N 3.33Å; I380-S391 WeakPolarHBondContact CD1-OG 3.32Å
381	Y	90.7	Very high	85.9	Confident	16 Å²	16	52.5 Å²	52.5	6%	0.063	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	119.6	172.3	-175.9	-107	0	0	0	111.2	V361 I362 P383 R387 W388 Y632 P790	V361-Y381 WeakPolarHBondContact CG1-O 3.38Å; I362-Y381 HydrophobicContact CD1-CD1 3.7Å; I362-Y381 HydrophobicContact CD1-CE1 4.47Å; I362-Y381 HydrophobicContact CD1-CG 4.44Å; I362-Y381 HydrophobicContact CG1-CD1 4.1Å; I362-Y381 PolarHBondContact N-O 2.79Å; I362-Y381 PolarHBondContact O-N 3.01Å; Y381-P383 HydrophobicContact CD1-CG 4.05Å; Y381-P383 HydrophobicContact CE1-CB 4.07Å; Y381-P383 HydrophobicContact CE1-CG 4.05Å; Y381-P383 WeakPolarHBondContact O-CD 3.21Å; Y381-R387 VanDerWaalsContact CD2-O 3.32Å; Y381-R387 WeakPolarHBondContact CD2-O 3.18Å; Y381-W388 AromaticContact CD2-CD1 3.84Å; Y381-W388 AromaticContact CD2-CD2 4Å; Y381-W388 HydrophobicContact CD2-CD2 4Å; Y381-W388 AromaticContact CD2-CE2 3.8Å; Y381-W388 HydrophobicContact CD2-CG 4.01Å; Y381-W388 HydrophobicContact CD2-CZ2 4.37Å; Y381-W388 AromaticContact CD2-NE1 3.7Å; Y381-W388 HydrophobicContact CG-CD2 4.26Å; Y381-W388 HydrophobicContact CG-CZ2 4.19Å; Y381-Y632 HydrophobicContact CE1-CE1 4.13Å; Y381-P790 HydrophobicContact CE2-CB 4Å; Y381-P790 HydrophobicContact CE2-CG 3.8Å
382	H	81	Confident	86.6	Confident	44 Å²	44	51.9 Å²	51.9	20%	0.204	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	108.7	172	-67.6	-83.7	0	0	0	109.8	I380 S384 L385 G386 R387	I380-H382 VanDerWaalsContact CG2-NE2 3.34Å; I380-H382 WeakPolarHBondContact CG2-NE2 3.34Å; H382-S384 PolarHBondContact O-N 3.28Å; H382-S384 VanDerWaalsContact O-N 3.16Å; H382-L385 HydrophobicContact CB-CB 3.93Å; H382-L385 HydrophobicContact CB-CD1 3.82Å; H382-L385 HydrophobicContact CB-CG 3.89Å; H382-L385 PolarHBondContact O-N 2.88Å; H382-G386 PolarHBondContact O-N 3.05Å; H382-R387 PolarHBondContact N-O 3.44Å
383	P	76	Confident	87.5	Confident	31 Å²	31	50 Å²	50	20%	0.201	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-28	-176.4	-23.6	34.7	0	0	0	114.1	Y381 T627 A628	Y381-P383 HydrophobicContact CD1-CG 4.05Å; Y381-P383 HydrophobicContact CE1-CB 4.07Å; Y381-P383 HydrophobicContact CE1-CG 4.05Å; Y381-P383 WeakPolarHBondContact O-CD 3.21Å; P383-T627 HydrophobicContact CB-CG2 4.42Å; P383-T627 HydrophobicContact CG-CG2 3.48Å; P383-T627 VanDerWaalsContact CG-CG2 3.48Å; P383-A628 HydrophobicContact CB-CB 4.36Å
384	S	70.1	Confident	88	Confident	96 Å²	96	45.1 Å²	45.1	67%	0.671	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72	-31.9	174.6	48.2	0	0	0	0	113.6	H382	H382-S384 PolarHBondContact O-N 3.28Å; H382-S384 VanDerWaalsContact O-N 3.16Å
385	L	72.9	Confident	88.3	Confident	87 Å²	87	49.8 Å²	49.8	46%	0.455	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.8	-15.2	179.9	-57.1	177.4	0	0	0	112.7	H382 R387	H382-L385 HydrophobicContact CB-CB 3.93Å; H382-L385 HydrophobicContact CB-CD1 3.82Å; H382-L385 HydrophobicContact CB-CG 3.89Å; H382-L385 PolarHBondContact O-N 2.88Å; L385-R387 HydrophobicContact CB-CG 4.12Å; L385-R387 PolarHBondContact O-N 3.13Å
386	G	78.9	Confident	88.4	Confident	36 Å²	36	50.7 Å²	50.7	37%	0.371	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.3	21.3	177.6	0	0	0	0	0	114.7	H382 P790	H382-G386 PolarHBondContact O-N 3.05Å; G386-P790 WeakPolarHBondContact O-CG 3.27Å
387	R	83.6	Confident	88.5	Confident	127 Å²	127	55 Å²	55	48%	0.479	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	157.9	-176.9	68.6	-177.2	-173.8	-115.9	0.8	112.6	Y381 H382 L385 E389	Y381-R387 VanDerWaalsContact CD2-O 3.32Å; Y381-R387 WeakPolarHBondContact CD2-O 3.18Å; H382-R387 PolarHBondContact N-O 3.44Å; L385-R387 HydrophobicContact CB-CG 4.12Å; L385-R387 PolarHBondContact O-N 3.13Å; R387-E389 HydrophobicContact CG-CG 4.46Å; R387-E389 IonicContact CZ-OE1 2.83Å; R387-E389 IonicContact NE-OE1 3.01Å; R387-E389 PolarHBondContact NE-OE1 2.97Å; R387-E389 IonicContact NH2-OE1 3.36Å; R387-E389 PolarHBondContact NH2-OE1 3.08Å
388	W	91.1	Very high	88.5	Confident	20 Å²	20	52.6 Å²	52.6	8%	0.076	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	148.5	168.1	-66.6	92.2	0	0	0	110.2	I362 A364 E379 I380 Y381 I634 V646 P790 L792 I793	I362-W388 HydrophobicContact CB-CH2 4.46Å; I362-W388 HydrophobicContact CG2-CH2 4.38Å; A364-W388 HydrophobicContact CB-CH2 4.16Å; A364-W388 HydrophobicContact CB-CZ3 3.73Å; E379-W388 HydrophobicContact CB-CE3 3.87Å; E379-W388 HydrophobicContact CB-CZ3 4.32Å; I380-W388 CarbonylContact O-C 3.56Å; I380-W388 VanDerWaalsContact O-CA 3.27Å; I380-W388 WeakPolarHBondContact O-CA 3.33Å; Y381-W388 AromaticContact CD2-CD1 3.84Å; Y381-W388 AromaticContact CD2-CD2 4Å; Y381-W388 HydrophobicContact CD2-CD2 4Å; Y381-W388 AromaticContact CD2-CE2 3.8Å; Y381-W388 HydrophobicContact CD2-CG 4.01Å; Y381-W388 HydrophobicContact CD2-CZ2 4.37Å; Y381-W388 AromaticContact CD2-NE1 3.7Å; Y381-W388 HydrophobicContact CG-CD2 4.26Å; Y381-W388 HydrophobicContact CG-CZ2 4.19Å; W388-I634 HydrophobicContact CH2-CD1 4.21Å; W388-I634 HydrophobicContact CH2-CG2 4.4Å; W388-I634 HydrophobicContact CZ2-CD1 4.39Å; W388-I634 HydrophobicContact CZ2-CG2 4.42Å; W388-V646 HydrophobicContact CZ2-CG2 4.13Å; W388-P790 PolarHBondContact NE1-O 2.82Å; W388-L792 HydrophobicContact CD2-CD2 4Å; W388-L792 HydrophobicContact CE3-CD2 3.97Å; W388-L792 HydrophobicContact CH2-CD2 3.6Å; W388-L792 HydrophobicContact CZ2-CD2 3.6Å; W388-L792 HydrophobicContact CZ2-CG 4.45Å; W388-L792 HydrophobicContact CZ3-CD2 3.78Å; W388-I793 HydrophobicContact CB-CD1 3.84Å; W388-I793 HydrophobicContact CB-CG1 3.84Å
389	E	90.7	Very high	88.4	Confident	68 Å²	68	52.6 Å²	52.6	32%	0.318	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	154.6	173.8	-62.9	-175.2	173.3	0	0	109.6	E379 I380 R387	E379-E389 CarbonylContact C-O 3.56Å; E379-E389 WeakPolarHBondContact CA-O 3.5Å; I380-E389 PolarHBondContact N-O 3.16Å; I380-E389 PolarHBondContact O-N 3.33Å; R387-E389 HydrophobicContact CG-CG 4.46Å; R387-E389 IonicContact CZ-OE1 2.83Å; R387-E389 IonicContact NE-OE1 3.01Å; R387-E389 PolarHBondContact NE-OE1 2.97Å; R387-E389 IonicContact NH2-OE1 3.36Å; R387-E389 PolarHBondContact NH2-OE1 3.08Å
390	L	91.7	Very high	88.3	Confident	110 Å²	110	56.2 Å²	56.2	58%	0.576	30%	0.295	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.6	149.1	176.2	-72.5	167.6	0	0	0	111	I377 E379 I793	I377-L390 HydrophobicContact CG2-CD2 3.65Å; E379-L390 HydrophobicContact CG-CD2 3.81Å; L390-I793 HydrophobicContact CG-CD1 4.22Å
391	S	91.4	Very high	88.4	Confident	27 Å²	27	56 Å²	56	19%	0.189	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	172.6	178.3	-173.6	0	0	0	0	111.6	V378 I380 S393 Y428	V378-S391 PolarHBondContact O-N 2.89Å; I380-S391 WeakPolarHBondContact CD1-OG 3.32Å; S391-S393 PolarHBondContact O-N 3.1Å; S391-Y428 PolarHBondContact OG-OH 3.19Å
392	E	92.8	Very high	88.5	Confident	115 Å²	115	55.7 Å²	55.7	54%	0.537	30%	0.295	S	S	.	.	P	Polyproline II helix	trans	-50.4	125.7	176.2	-163.5	72.9	167.4	0	0	111.3	V378 Y428 G433 W435	V378-E392 WeakPolarHBondContact CG2-O 3.45Å; E392-Y428 HydrophobicContact CB-CE2 4.26Å; E392-G433 VanDerWaalsContact CB-O 3.3Å; E392-G433 WeakPolarHBondContact CB-O 3.4Å; E392-G433 WeakPolarHBondContact CG-O 3.42Å; E392-W435 PolarHBondContact O-NE1 3.15Å
393	S	94.4	Very high	89.3	Confident	59 Å²	59	54.3 Å²	54.3	41%	0.413	29%	0.29	S	S	.	.	P	Polyproline II helix	trans	-72.4	150.4	-179.3	-68.1	0	0	0	0	111.6	G376 S391	G376-S393 WeakPolarHBondContact O-CA 3.15Å; S391-S393 PolarHBondContact O-N 3.1Å
394	M	95.3	Very high	90.2	Very high	12 Å²	12	53.2 Å²	53.2	6%	0.059	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-57.7	154.1	171.8	-71.4	-177.7	-65.9	0	0	111.9	V365 G376 V378 S396 R398 I401 A412 E426 W435	V365-M394 HydrophobicContact CG1-CE 3.66Å; V365-M394 HydrophobicContact CG1-CG 4.12Å; V365-M394 HydrophobicContact CG1-SD 3.32Å; V365-M394 WeakPolarHBondContact CG1-SD 3.13Å; G376-M394 PolarHBondContact O-N 2.65Å; V378-M394 HydrophobicContact CG2-CG 4.32Å; M394-S396 VanDerWaalsContact C-N 3.26Å; M394-S396 WeakPolarHBondContact CB-O 3.16Å; M394-S396 PolarHBondContact O-N 2.97Å; M394-R398 HydrophobicContact CE-CB 3.87Å; M394-R398 HydrophobicContact CE-CG 4.23Å; M394-R398 HydrophobicContact SD-CB 4.42Å; M394-R398 HydrophobicContact SD-CG 4.33Å; M394-I401 HydrophobicContact SD-CD1 3.92Å; M394-A412 HydrophobicContact SD-CB 3.83Å; M394-E426 WeakPolarHBondContact CB-OE2 3.21Å; M394-W435 HydrophobicContact CG-CD2 4.07Å; M394-W435 HydrophobicContact CG-CE3 4.27Å; M394-W435 HydrophobicContact CG-CH2 3.93Å; M394-W435 HydrophobicContact CG-CZ2 3.7Å; M394-W435 HydrophobicContact CG-CZ3 4.21Å; M394-W435 HydrophobicContact SD-CH2 4.48Å
395	I	95.4	Very high	91.3	Very high	106 Å²	106	49.4 Å²	49.4	54%	0.544	26%	0.257	S	S	.	.	S	Bend	trans	-65.2	-34.7	178.3	-58	167.1	0	0	0	110.2	E426 W435 T437	I395-E426 WeakPolarHBondContact CB-OE2 3.46Å; I395-E426 HydrophobicContact CD1-CG 4.4Å; I395-E426 PolarHBondContact N-OE2 3.28Å; I395-W435 HydrophobicContact CD1-CB 4.1Å; I395-W435 HydrophobicContact CG1-CB 3.9Å; I395-T437 HydrophobicContact CD1-CG2 4.07Å
396	S	92.8	Very high	92.2	Very high	34 Å²	34	45.8 Å²	45.8	24%	0.238	24%	0.238	C	C	.	.	S	Bend	trans	-119.2	150.5	174.5	64.2	0	0	0	0	112.8	M394 R398 E426	M394-S396 VanDerWaalsContact C-N 3.26Å; M394-S396 WeakPolarHBondContact CB-O 3.16Å; M394-S396 PolarHBondContact O-N 2.97Å; S396-R398 PolarHBondContact OG-NE 3.01Å; S396-R398 PolarHBondContact OG-NH2 3.4Å; S396-E426 PolarHBondContact N-OE1 2.71Å; S396-E426 PolarHBondContact OG-OE1 2.71Å
397	K	94.1	Very high	92.6	Very high	101 Å²	101	48.6 Å²	48.6	44%	0.439	25%	0.245	S	C	.	.			trans	-66.9	130.8	170.8	-64	177.1	151.8	-147.9	0	108.9	E373 C374 D417	E373-K397 IonicContact OE2-NZ 3.63Å; C374-K397 HydrophobicContact CB-CB 4.41Å; C374-K397 WeakPolarHBondContact O-CD 3.37Å; C374-K397 WeakPolarHBondContact O-CE 3.38Å; C374-K397 PolarHBondContact O-NZ 3.42Å; C374-K397 VanDerWaalsContact O-NZ 3.11Å; K397-D417 VanDerWaalsContact O-CA 3.29Å; K397-D417 WeakPolarHBondContact O-CA 3.17Å; K397-D417 WeakPolarHBondContact O-CB 3.48Å
398	R	94.3	Very high	92.9	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.231	C	C	.	.			trans	-143.9	133.8	-177.5	-57.7	-177.3	179.5	-113.1	2.4	112.5	G366 G367 C374 H375 M394 S396 I401 G414 L422 T424 E426	G366-R398 CarbonylContact C-O 3.53Å; G366-R398 VanDerWaalsContact CA-O 3.3Å; G366-R398 WeakPolarHBondContact CA-O 3.42Å; G367-R398 PolarHBondContact N-O 2.9Å; C374-R398 VanDerWaalsContact SG-CA 3.57Å; C374-R398 PolarHBondContact SG-N 3.34Å; C374-R398 VanDerWaalsContact SG-N 3.37Å; H375-R398 PolarHBondContact O-N 3.35Å; M394-R398 HydrophobicContact CE-CB 3.87Å; M394-R398 HydrophobicContact CE-CG 4.23Å; M394-R398 HydrophobicContact SD-CB 4.42Å; M394-R398 HydrophobicContact SD-CG 4.33Å; S396-R398 PolarHBondContact OG-NE 3.01Å; S396-R398 PolarHBondContact OG-NH2 3.4Å; R398-I401 HydrophobicContact CB-CB 4.37Å; R398-I401 HydrophobicContact CB-CD1 3.85Å; R398-I401 HydrophobicContact CG-CD1 4.24Å; R398-G414 PolarHBondContact NH1-O 3.46Å; R398-L422 HydrophobicContact CG-CD1 3.78Å; R398-T424 PolarHBondContact NH1-O 3.32Å; R398-T424 PolarHBondContact NH2-O 2.92Å; R398-T424 PolarHBondContact NH2-OG1 3.09Å; R398-E426 IonicContact CZ-OE1 2.65Å; R398-E426 VanDerWaalsContact CZ-OE1 3.29Å; R398-E426 IonicContact NE-OE1 3.05Å; R398-E426 PolarHBondContact NE-OE1 3.16Å; R398-E426 IonicContact NH2-OE1 2.77Å; R398-E426 PolarHBondContact NH2-OE1 2.82Å
399	S	92.7	Very high	93	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.239	C	C	.	.	B	Isolated β-bridge	trans	-129	158.1	170.8	65	0	0	0	0	110.4	W368 C374 I401 G415 F416	W368-S399 PolarHBondContact NE1-OG 2.75Å; C374-S399 PolarHBondContact SG-N 2.77Å; C374-S399 VanDerWaalsContact SG-N 3.37Å; S399-I401 PolarHBondContact O-N 3.33Å; S399-G415 CarbonylContact O-C 3.56Å; S399-G415 VanDerWaalsContact O-CA 3.26Å; S399-G415 WeakPolarHBondContact O-CA 3.49Å; S399-F416 PolarHBondContact N-O 3.32Å; S399-F416 PolarHBondContact O-N 3.05Å; S399-F416 PolarHBondContact OG-O 3.35Å
400	R	92.6	Very high	93.2	Very high	77 Å²	77	41.4 Å²	41.4	29%	0.291	22%	0.224	S	C	.	.	S	Bend	trans	53.6	39.7	-176.2	-42.9	-176	-171.5	-177.4	3.3	112.6	A447 W798	R400-A447 HydrophobicContact CB-CB 4.24Å; R400-A447 PolarHBondContact O-N 2.93Å; R400-W798 HydrophobicContact CB-CD2 4.22Å; R400-W798 HydrophobicContact CB-CE3 4.21Å; R400-W798 HydrophobicContact CB-CZ3 4.47Å; R400-W798 HydrophobicContact CG-CD2 4.04Å; R400-W798 HydrophobicContact CG-CE3 3.71Å; R400-W798 HydrophobicContact CG-CG 4.47Å; R400-W798 HydrophobicContact CG-CZ3 4.18Å
401	I	93.7	Very high	93.4	Very high	10 Å²	10	36.7 Å²	36.7	5%	0.051	20%	0.198	C	C	.	.			trans	-86.8	147.7	-172.5	-174.5	175.1	0	0	0	111.2	V365 M394 R398 S399 V403 A412	V365-I401 HydrophobicContact CG1-CD1 4.47Å; M394-I401 HydrophobicContact SD-CD1 3.92Å; R398-I401 HydrophobicContact CB-CB 4.37Å; R398-I401 HydrophobicContact CB-CD1 3.85Å; R398-I401 HydrophobicContact CG-CD1 4.24Å; S399-I401 PolarHBondContact O-N 3.33Å; I401-V403 HydrophobicContact CB-CG2 4.49Å; I401-V403 HydrophobicContact CD1-CG2 4.16Å; I401-V403 HydrophobicContact CG1-CG2 4.06Å; I401-V403 HydrophobicContact CG2-CG2 3.82Å; I401-A412 HydrophobicContact CD1-CB 3.61Å
402	G	94.2	Very high	93.7	Very high	9 Å²	9	35.4 Å²	35.4	9%	0.093	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	127.6	165.2	0	0	0	0	0	110	I413	G402-I413 PolarHBondContact N-O 2.83Å; G402-I413 VanDerWaalsContact N-O 3.1Å; G402-I413 WeakPolarHBondContact O-CB 3.49Å; G402-I413 PolarHBondContact O-N 2.77Å
403	V	95.9	Very high	93.9	Very high	16 Å²	16	30.2 Å²	30.2	10%	0.097	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	127.8	-177.4	-170.3	0	0	0	0	110.2	V365 I401 L410 Y411 C802	V365-V403 HydrophobicContact CB-CG1 4.48Å; V365-V403 HydrophobicContact CB-CG2 4.13Å; V365-V403 HydrophobicContact CG1-CG2 4.29Å; V365-V403 HydrophobicContact CG2-CG1 4.2Å; I401-V403 HydrophobicContact CB-CG2 4.49Å; I401-V403 HydrophobicContact CD1-CG2 4.16Å; I401-V403 HydrophobicContact CG1-CG2 4.06Å; I401-V403 HydrophobicContact CG2-CG2 3.82Å; V403-L410 HydrophobicContact CG1-CD1 3.59Å; V403-L410 HydrophobicContact CG1-CG 4.11Å; V403-Y411 VanDerWaalsContact CA-O 3.29Å; V403-Y411 WeakPolarHBondContact CA-O 3.29Å; V403-C802 HydrophobicContact CB-CB 4.19Å; V403-C802 HydrophobicContact CG1-CB 3.66Å
404	V	95.3	Very high	94	Very high	8 Å²	8	27.4 Å²	27.4	5%	0.048	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	135.5	-170.3	-178.3	0	0	0	0	110.8	Y411 I413 A450 A452 L457 C802	V404-Y411 PolarHBondContact N-O 2.76Å; V404-Y411 PolarHBondContact O-N 3.19Å; V404-I413 HydrophobicContact CB-CD1 4.42Å; V404-I413 HydrophobicContact CG2-CD1 4.04Å; V404-A450 HydrophobicContact CG2-CB 3.58Å; V404-A452 HydrophobicContact CG1-CB 3.6Å; V404-A452 VanDerWaalsContact CG1-N 3.31Å; V404-L457 HydrophobicContact CB-CD2 4.02Å; V404-L457 HydrophobicContact CG1-CD2 3.53Å; V404-C802 VanDerWaalsContact C-SG 3.58Å
405	A	93.9	Very high	94	Very high	15 Å²	15	26.9 Å²	26.9	12%	0.124	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	133.6	170.3	0	0	0	0	0	110.1	L409 A452 C802 V803 L804	A405-L409 WeakPolarHBondContact CA-O 3.34Å; A405-A452 WeakPolarHBondContact O-CB 3.37Å; A405-C802 PolarHBondContact N-SG 2.92Å; A405-V803 WeakPolarHBondContact CB-O 3.49Å; A405-L804 HydrophobicContact CB-CD1 4.01Å
406	L	92.1	Very high	93.9	Very high	11 Å²	11	23.8 Å²	23.8	6%	0.058	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	131.4	175.4	176.5	63.1	0	0	0	109.2	G408 L409 Y411 A452 L457 P477	L406-G408 PolarHBondContact O-N 3.03Å; L406-L409 PolarHBondContact N-O 3.44Å; L406-L409 PolarHBondContact O-N 3.42Å; L406-Y411 HydrophobicContact CB-CD2 4.29Å; L406-Y411 HydrophobicContact CB-CE2 4Å; L406-A452 HydrophobicContact CB-CB 4.35Å; L406-A452 HydrophobicContact CD1-CB 4.24Å; L406-L457 HydrophobicContact CB-CD2 3.68Å; L406-L457 HydrophobicContact CD2-CD2 3.51Å; L406-L457 HydrophobicContact CD2-CG 3.75Å; L406-L457 HydrophobicContact CG-CD2 4.24Å; L406-P477 HydrophobicContact CD2-CG 3.63Å
407	N	87.8	Confident	94	Very high	95 Å²	95	24.3 Å²	24.3	51%	0.508	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.3	37.4	176.9	-58.6	-11.4	0	0	0	113.7	L409 Q808	N407-L409 PolarHBondContact O-N 3.12Å; N407-Q808 CarbonylContact C-O 3.56Å; N407-Q808 VanDerWaalsContact C-O 3.24Å
408	G	87.9	Confident	93.8	Very high	19 Å²	19	21.3 Å²	21.3	20%	0.196	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.2	8.2	-179.5	0	0	0	0	0	115	L406 P430 Q808	L406-G408 PolarHBondContact O-N 3.03Å; G408-P430 WeakPolarHBondContact O-CD 3.31Å; G408-Q808 WeakPolarHBondContact CA-O 3.42Å; G408-Q808 PolarHBondContact N-O 2.73Å
409	L	93.2	Very high	93.6	Very high	45 Å²	45	28 Å²	28	24%	0.236	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	155.8	173.2	-58.4	177.2	0	0	0	110.5	A405 L406 N407 Y411 V427 N429	A405-L409 WeakPolarHBondContact CA-O 3.34Å; L406-L409 PolarHBondContact N-O 3.44Å; L406-L409 PolarHBondContact O-N 3.42Å; N407-L409 PolarHBondContact O-N 3.12Å; L409-Y411 HydrophobicContact CB-CE2 3.84Å; L409-V427 HydrophobicContact CB-CG2 3.81Å; L409-V427 HydrophobicContact CD1-CG2 4.05Å; L409-V427 HydrophobicContact CG-CG2 4.42Å; L409-N429 HydrophobicContact CD2-CB 3.72Å
410	L	95	Very high	93.7	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	121	-179.3	177.9	75.9	0	0	0	109.8	Y363 V365 V403 V427 Y428 W435 C802	Y363-L410 HydrophobicContact CD1-CD2 3.54Å; Y363-L410 HydrophobicContact CD2-CD2 4.4Å; Y363-L410 HydrophobicContact CE1-CD2 4.17Å; Y363-L410 HydrophobicContact CG-CD2 3.68Å; V365-L410 HydrophobicContact CG2-CD2 4.11Å; V403-L410 HydrophobicContact CG1-CD1 3.59Å; V403-L410 HydrophobicContact CG1-CG 4.11Å; L410-V427 CarbonylContact O-C 3.59Å; L410-V427 WeakPolarHBondContact O-CA 3.4Å; L410-Y428 HydrophobicContact CB-CD1 4.41Å; L410-Y428 HydrophobicContact CD2-CD1 4.41Å; L410-Y428 PolarHBondContact N-O 2.88Å; L410-Y428 VanDerWaalsContact N-O 3.1Å; L410-Y428 PolarHBondContact O-N 3.49Å; L410-W435 HydrophobicContact CD2-CH2 4.08Å; L410-W435 HydrophobicContact CD2-CZ2 4.46Å; L410-W435 HydrophobicContact CG-CH2 4.49Å; L410-C802 HydrophobicContact CD1-CB 3.65Å
411	Y	96.7	Very high	93.8	Very high	12 Å²	12	30.7 Å²	30.7	5%	0.047	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	130.7	-175.9	-67	-95.1	0	0	0	111.6	V403 V404 L406 L409 T425 E426 V427 L457 Y475	V403-Y411 VanDerWaalsContact CA-O 3.29Å; V403-Y411 WeakPolarHBondContact CA-O 3.29Å; V404-Y411 PolarHBondContact N-O 2.76Å; V404-Y411 PolarHBondContact O-N 3.19Å; L406-Y411 HydrophobicContact CB-CD2 4.29Å; L406-Y411 HydrophobicContact CB-CE2 4Å; L409-Y411 HydrophobicContact CB-CE2 3.84Å; Y411-T425 HydrophobicContact CD1-CG2 4.27Å; Y411-E426 CarbonylContact C-O 3.55Å; Y411-E426 WeakPolarHBondContact CA-O 3.4Å; Y411-V427 HydrophobicContact CD1-CB 3.8Å; Y411-V427 HydrophobicContact CD1-CG2 3.74Å; Y411-V427 HydrophobicContact CD2-CG2 4.29Å; Y411-V427 HydrophobicContact CE1-CB 3.73Å; Y411-V427 HydrophobicContact CE1-CG2 3.44Å; Y411-V427 VanDerWaalsContact CE1-CG2 3.44Å; Y411-V427 HydrophobicContact CE2-CG2 4.02Å; Y411-V427 HydrophobicContact CG-CG2 4.16Å; Y411-L457 HydrophobicContact CD1-CD1 3.56Å; Y411-L457 HydrophobicContact CD2-CD1 3.82Å; Y411-L457 HydrophobicContact CD2-CD2 4.03Å; Y411-L457 HydrophobicContact CE1-CD1 4.01Å; Y411-L457 HydrophobicContact CE2-CD1 4.25Å; Y411-L457 HydrophobicContact CE2-CD2 4.5Å; Y411-L457 HydrophobicContact CG-CD1 3.45Å; Y411-L457 VanDerWaalsContact CG-CD1 3.45Å; Y411-L457 HydrophobicContact CG-CD2 4.37Å; Y411-Y475 HydrophobicContact CE1-CE1 4.01Å
412	A	97.2	Very high	94	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	99.9	-179.5	0	0	0	0	0	109	M394 I401 T425 E426 W435	M394-A412 HydrophobicContact SD-CB 3.83Å; I401-A412 HydrophobicContact CD1-CB 3.61Å; A412-T425 WeakPolarHBondContact O-CA 3.34Å; A412-E426 HydrophobicContact CB-CB 4.18Å; A412-E426 PolarHBondContact N-O 2.87Å; A412-E426 PolarHBondContact O-N 3.09Å; A412-W435 HydrophobicContact CB-CH2 3.96Å; A412-W435 HydrophobicContact CB-CZ3 3.54Å
413	I	97.4	Very high	94.1	Very high	5 Å²	5	36.4 Å²	36.4	3%	0.026	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	119	-163.6	-54.5	163.2	0	0	0	110.6	G402 V404 T425 M441 A450 L457 V459 W482	G402-I413 PolarHBondContact N-O 2.83Å; G402-I413 VanDerWaalsContact N-O 3.1Å; G402-I413 WeakPolarHBondContact O-CB 3.49Å; G402-I413 PolarHBondContact O-N 2.77Å; V404-I413 HydrophobicContact CB-CD1 4.42Å; V404-I413 HydrophobicContact CG2-CD1 4.04Å; I413-T425 HydrophobicContact CG1-CG2 3.85Å; I413-M441 HydrophobicContact CG2-CE 3.97Å; I413-M441 HydrophobicContact CG2-CG 4.46Å; I413-M441 HydrophobicContact CG2-SD 3.51Å; I413-M441 VanDerWaalsContact CG2-SD 3.51Å; I413-A450 HydrophobicContact CD1-CB 4.09Å; I413-L457 HydrophobicContact CD1-CD1 4.29Å; I413-V459 HydrophobicContact CG2-CB 4.48Å; I413-V459 HydrophobicContact CG2-CG2 4.28Å; I413-W482 HydrophobicContact CD1-CH2 4.37Å; I413-W482 HydrophobicContact CG2-CH2 4.04Å; I413-W482 HydrophobicContact CG2-CZ2 4.31Å
414	G	96.6	Very high	94.2	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.01	21%	0.206	C	C	.	.			trans	61	-142	174.9	0	0	0	0	0	113.9	R398 T424	R398-G414 PolarHBondContact NH1-O 3.46Å; G414-T424 PolarHBondContact N-O 3.06Å; G414-T424 VanDerWaalsContact N-O 3.14Å
415	G	95.4	Very high	94.3	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.01	20%	0.204	C	C	.	.			trans	103	-160.8	-177.9	0	0	0	0	0	113.5	S399 R421 L422 R445	S399-G415 CarbonylContact O-C 3.56Å; S399-G415 VanDerWaalsContact O-CA 3.26Å; S399-G415 WeakPolarHBondContact O-CA 3.49Å; G415-R421 WeakPolarHBondContact O-CA 3.47Å; G415-L422 PolarHBondContact O-N 2.68Å; G415-R445 PolarHBondContact N-O 2.85Å
416	F	94.1	Very high	94.5	Very high	40 Å²	40	36.9 Å²	36.9	18%	0.175	20%	0.199	C	C	.	.	B	Isolated β-bridge	trans	-135	125.4	-178.7	178.6	-110.6	0	0	0	110.2	C374 S399 G418 S420 R421	C374-F416 PolarHBondContact SG-O 2.86Å; S399-F416 PolarHBondContact N-O 3.32Å; S399-F416 PolarHBondContact O-N 3.05Å; S399-F416 PolarHBondContact OG-O 3.35Å; F416-G418 VanDerWaalsContact CE1-CA 3.45Å; F416-G418 WeakPolarHBondContact CZ-O 3.36Å; F416-S420 WeakPolarHBondContact CA-O 3.34Å; F416-S420 VanDerWaalsContact CD2-O 3.24Å; F416-S420 WeakPolarHBondContact CD2-O 3.32Å; F416-R421 HydrophobicContact CD2-CG 4.29Å
417	D	93.5	Very high	94.8	Very high	45 Å²	45	37.3 Å²	37.3	24%	0.241	20%	0.201	C	C	.	.			trans	-87.1	-4.8	-174.1	62	18.2	0	0	0	114.6	C374 K397 N419 S420 L422	C374-D417 WeakPolarHBondContact CB-O 3.37Å; K397-D417 VanDerWaalsContact O-CA 3.29Å; K397-D417 WeakPolarHBondContact O-CA 3.17Å; K397-D417 WeakPolarHBondContact O-CB 3.48Å; D417-N419 WeakPolarHBondContact OD1-CA 3.26Å; D417-N419 PolarHBondContact OD1-N 2.96Å; D417-S420 PolarHBondContact N-O 3.22Å; D417-S420 PolarHBondContact OD1-N 3.46Å; D417-L422 HydrophobicContact CB-CD1 4.34Å; D417-L422 HydrophobicContact CB-CD2 4.26Å; D417-L422 HydrophobicContact CB-CG 4.49Å; D417-L422 WeakPolarHBondContact OD2-CD2 3.35Å
418	G	89.7	Confident	95.2	Very high	38 Å²	38	33.5 Å²	33.5	39%	0.392	18%	0.18	S	C	.	.	S	Bend	trans	114.1	-26.9	-170.7	0	0	0	0	0	112.9	F416	F416-G418 VanDerWaalsContact CE1-CA 3.45Å; F416-G418 WeakPolarHBondContact CZ-O 3.36Å
419	N	91.8	Very high	95.4	Very high	142 Å²	142	35 Å²	35	76%	0.759	18%	0.184	S	C	*	.	S	Bend	trans	-121.6	-44.3	-177.6	-65.3	-48.2	0	0	0	112.6	D417	D417-N419 WeakPolarHBondContact OD1-CA 3.26Å; D417-N419 PolarHBondContact OD1-N 2.96Å
420	S	94	Very high	95.1	Very high	49 Å²	49	35 Å²	35	34%	0.343	19%	0.186	S	C	.	.	S	Bend	trans	-129.6	148.9	-169.8	-85.3	0	0	0	0	112.9	F416 D417	F416-S420 WeakPolarHBondContact CA-O 3.34Å; F416-S420 VanDerWaalsContact CD2-O 3.24Å; F416-S420 WeakPolarHBondContact CD2-O 3.32Å; D417-S420 PolarHBondContact N-O 3.22Å; D417-S420 PolarHBondContact OD1-N 3.46Å
421	R	95.6	Very high	94.8	Very high	83 Å²	83	43 Å²	43	31%	0.313	22%	0.221	S	C	.	.	B	Isolated β-bridge	trans	-82.2	129.8	169.8	-68.8	72.2	173.3	-174.9	-4	107.5	G415 F416 R444 D464	G415-R421 WeakPolarHBondContact O-CA 3.47Å; F416-R421 HydrophobicContact CD2-CG 4.29Å; R421-R444 HydrophobicContact CB-CB 4.32Å; R421-R444 WeakPolarHBondContact O-CD 3.39Å; R421-D464 WeakPolarHBondContact CB-O 3.24Å
422	L	96.9	Very high	94.6	Very high	20 Å²	20	46.6 Å²	46.6	11%	0.105	24%	0.244	C	C	.	.			trans	-89.4	147.6	-170.7	-60	179.4	0	0	0	111.6	R398 G415 D417 R444 R445	R398-L422 HydrophobicContact CG-CD1 3.78Å; G415-L422 PolarHBondContact O-N 2.68Å; D417-L422 HydrophobicContact CB-CD1 4.34Å; D417-L422 HydrophobicContact CB-CD2 4.26Å; D417-L422 HydrophobicContact CB-CG 4.49Å; D417-L422 WeakPolarHBondContact OD2-CD2 3.35Å; L422-R444 WeakPolarHBondContact O-CA 3.37Å; L422-R445 PolarHBondContact O-N 2.81Å
423	R	96.8	Very high	94.3	Very high	119 Å²	119	47.8 Å²	47.8	45%	0.449	26%	0.256	S	S	.	.			trans	-109.9	-8.2	163.4	68.9	173.5	-162.2	-76.7	0.1	112.8	S440 M441 C443 R444	R423-S440 CarbonylContact O-C 3.58Å; R423-S440 WeakPolarHBondContact O-CA 3.16Å; R423-S440 WeakPolarHBondContact O-CB 3.46Å; R423-M441 HydrophobicContact CB-CB 4.4Å; R423-M441 WeakPolarHBondContact CD-O 3.44Å; R423-M441 PolarHBondContact O-N 2.82Å; R423-C443 WeakPolarHBondContact CB-O 3.33Å; R423-R444 HydrophobicContact CB-CG 4.06Å
424	T	97.7	Very high	94.2	Very high	47 Å²	47	54.3 Å²	54.3	29%	0.288	28%	0.284	S	S	.	.			trans	-74.3	149.4	-176.1	49	0	0	0	0	110.7	R398 G414	R398-T424 PolarHBondContact NH1-O 3.32Å; R398-T424 PolarHBondContact NH2-O 2.92Å; R398-T424 PolarHBondContact NH2-OG1 3.09Å; G414-T424 PolarHBondContact N-O 3.06Å; G414-T424 VanDerWaalsContact N-O 3.14Å
425	T	97.8	Very high	94.2	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	132.8	173.8	-59.2	0	0	0	0	108.5	Y411 A412 I413 V438 W482	Y411-T425 HydrophobicContact CD1-CG2 4.27Å; A412-T425 WeakPolarHBondContact O-CA 3.34Å; I413-T425 HydrophobicContact CG1-CG2 3.85Å; T425-V438 HydrophobicContact CG2-CG2 3.59Å; T425-V438 PolarHBondContact O-N 3.39Å; T425-W482 HydrophobicContact CG2-CZ2 4.33Å; T425-W482 WeakPolarHBondContact OG1-CZ2 3.35Å
426	E	97.7	Very high	94.3	Very high	3 Å²	3	57.7 Å²	57.7	1%	0.014	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	149.9	173	-73.3	166.5	-129.6	0	0	109.5	M394 I395 S396 R398 Y411 A412 W435 A436 T437	M394-E426 WeakPolarHBondContact CB-OE2 3.21Å; I395-E426 WeakPolarHBondContact CB-OE2 3.46Å; I395-E426 HydrophobicContact CD1-CG 4.4Å; I395-E426 PolarHBondContact N-OE2 3.28Å; S396-E426 PolarHBondContact N-OE1 2.71Å; S396-E426 PolarHBondContact OG-OE1 2.71Å; R398-E426 IonicContact CZ-OE1 2.65Å; R398-E426 VanDerWaalsContact CZ-OE1 3.29Å; R398-E426 IonicContact NE-OE1 3.05Å; R398-E426 PolarHBondContact NE-OE1 3.16Å; R398-E426 IonicContact NH2-OE1 2.77Å; R398-E426 PolarHBondContact NH2-OE1 2.82Å; Y411-E426 CarbonylContact C-O 3.55Å; Y411-E426 WeakPolarHBondContact CA-O 3.4Å; A412-E426 HydrophobicContact CB-CB 4.18Å; A412-E426 PolarHBondContact N-O 2.87Å; A412-E426 PolarHBondContact O-N 3.09Å; E426-W435 HydrophobicContact CB-CE3 3.86Å; E426-W435 HydrophobicContact CB-CZ3 4.26Å; E426-A436 CarbonylContact C-O 3.59Å; E426-A436 VanDerWaalsContact CA-O 3.25Å; E426-A436 WeakPolarHBondContact CA-O 3.41Å; E426-T437 HydrophobicContact CG-CG2 4.18Å
427	V	97.3	Very high	94.5	Very high	19 Å²	19	60.6 Å²	60.6	12%	0.115	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	131.8	175.9	67.4	0	0	0	0	109.5	L409 L410 Y411 W435 A436 V438	L409-V427 HydrophobicContact CB-CG2 3.81Å; L409-V427 HydrophobicContact CD1-CG2 4.05Å; L409-V427 HydrophobicContact CG-CG2 4.42Å; L410-V427 CarbonylContact O-C 3.59Å; L410-V427 WeakPolarHBondContact O-CA 3.4Å; Y411-V427 HydrophobicContact CD1-CB 3.8Å; Y411-V427 HydrophobicContact CD1-CG2 3.74Å; Y411-V427 HydrophobicContact CD2-CG2 4.29Å; Y411-V427 HydrophobicContact CE1-CB 3.73Å; Y411-V427 HydrophobicContact CE1-CG2 3.44Å; Y411-V427 VanDerWaalsContact CE1-CG2 3.44Å; Y411-V427 HydrophobicContact CE2-CG2 4.02Å; Y411-V427 HydrophobicContact CG-CG2 4.16Å; V427-W435 CarbonylContact O-C 3.47Å; V427-W435 WeakPolarHBondContact O-CA 3.44Å; V427-A436 HydrophobicContact CG1-CB 4.17Å; V427-A436 PolarHBondContact N-O 3.18Å; V427-A436 PolarHBondContact O-N 2.89Å; V427-V438 HydrophobicContact CB-CG1 4.12Å; V427-V438 HydrophobicContact CG1-CG1 3.58Å
428	Y	96.2	Very high	94.7	Very high	15 Å²	15	59.7 Å²	59.7	6%	0.059	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	134	173	177.3	-106.5	0	0	0	109.8	Y363 S391 E392 L410 P430 G433 W435	Y363-Y428 HydrophobicContact CE1-CD1 4.29Å; Y363-Y428 AromaticContact CE1-CE1 3.86Å; Y363-Y428 HydrophobicContact CE1-CE1 3.86Å; S391-Y428 PolarHBondContact OG-OH 3.19Å; E392-Y428 HydrophobicContact CB-CE2 4.26Å; L410-Y428 HydrophobicContact CB-CD1 4.41Å; L410-Y428 HydrophobicContact CD2-CD1 4.41Å; L410-Y428 PolarHBondContact N-O 2.88Å; L410-Y428 VanDerWaalsContact N-O 3.1Å; L410-Y428 PolarHBondContact O-N 3.49Å; Y428-P430 HydrophobicContact CD1-CG 3.93Å; Y428-P430 HydrophobicContact CE1-CB 3.96Å; Y428-P430 HydrophobicContact CE1-CG 3.85Å; Y428-P430 WeakPolarHBondContact O-CD 3.27Å; Y428-G433 VanDerWaalsContact CE2-C 3.44Å; Y428-W435 AromaticContact CD2-CD1 3.79Å; Y428-W435 HydrophobicContact CD2-CD2 4.01Å; Y428-W435 AromaticContact CD2-CE2 3.73Å; Y428-W435 HydrophobicContact CD2-CG 4.04Å; Y428-W435 HydrophobicContact CD2-CZ2 4.27Å; Y428-W435 AromaticContact CD2-NE1 3.58Å; Y428-W435 HydrophobicContact CG-CD2 4.28Å; Y428-W435 AromaticContact CG-CE2 3.99Å; Y428-W435 HydrophobicContact CG-CZ2 4.12Å
429	N	92.7	Very high	95	Very high	52 Å²	52	59.2 Å²	59.2	28%	0.278	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	105.8	171.4	-176.9	-13.7	0	0	0	109.8	L409 K431 T432 G433 K434	L409-N429 HydrophobicContact CD2-CB 3.72Å; N429-K431 PolarHBondContact O-N 3.04Å; N429-K431 VanDerWaalsContact O-N 3.12Å; N429-K431 WeakPolarHBondContact OD1-CB 3.39Å; N429-K431 PolarHBondContact OD1-N 3.23Å; N429-T432 WeakPolarHBondContact CB-OG1 3.18Å; N429-T432 PolarHBondContact O-N 2.86Å; N429-T432 PolarHBondContact O-OG1 2.94Å; N429-G433 PolarHBondContact O-N 2.92Å; N429-K434 PolarHBondContact N-O 3.32Å
430	P	87.8	Confident	95.3	Very high	43 Å²	43	54.6 Å²	54.6	28%	0.279	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-23.8	179.6	-20.4	28.9	0	0	0	114.4	G408 Y428 L804	G408-P430 WeakPolarHBondContact O-CD 3.31Å; Y428-P430 HydrophobicContact CD1-CG 3.93Å; Y428-P430 HydrophobicContact CE1-CB 3.96Å; Y428-P430 HydrophobicContact CE1-CG 3.85Å; Y428-P430 WeakPolarHBondContact O-CD 3.27Å; P430-L804 HydrophobicContact CB-CD2 4.14Å; P430-L804 HydrophobicContact CG-CD2 3.4Å; P430-L804 VanDerWaalsContact CG-CD2 3.4Å
431	K	88.5	Confident	95.5	Very high	170 Å²	170	52.4 Å²	52.4	74%	0.739	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.6	-28.1	177.8	-58.4	-178.3	178.7	179.6	0	112.7	N429	N429-K431 PolarHBondContact O-N 3.04Å; N429-K431 VanDerWaalsContact O-N 3.12Å; N429-K431 WeakPolarHBondContact OD1-CB 3.39Å; N429-K431 PolarHBondContact OD1-N 3.23Å
432	T	91.7	Very high	95.5	Very high	86 Å²	86	53.3 Å²	53.3	53%	0.528	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.4	-12.4	179.4	63.9	0	0	0	0	113	N429 K434	N429-T432 WeakPolarHBondContact CB-OG1 3.18Å; N429-T432 PolarHBondContact O-N 2.86Å; N429-T432 PolarHBondContact O-OG1 2.94Å; T432-K434 PolarHBondContact O-N 2.77Å; T432-K434 PolarHBondContact OG1-N 3.31Å
433	G	91.5	Very high	95.3	Very high	25 Å²	25	54.1 Å²	54.1	26%	0.258	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.8	14.8	-175.6	0	0	0	0	0	114.1	E392 Y428 N429	E392-G433 VanDerWaalsContact CB-O 3.3Å; E392-G433 WeakPolarHBondContact CB-O 3.4Å; E392-G433 WeakPolarHBondContact CG-O 3.42Å; Y428-G433 VanDerWaalsContact CE2-C 3.44Å; N429-G433 PolarHBondContact O-N 2.92Å
434	K	95.1	Very high	95.3	Very high	142 Å²	142	54.3 Å²	54.3	62%	0.617	30%	0.297	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.5	143.7	-170.2	-67.8	-176.6	-178.3	-173.7	0	113.7	N429 T432	N429-K434 PolarHBondContact N-O 3.32Å; T432-K434 PolarHBondContact O-N 2.77Å; T432-K434 PolarHBondContact OG1-N 3.31Å
435	W	97.4	Very high	95.3	Very high	24 Å²	24	52.1 Å²	52.1	9%	0.091	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	148.3	165.4	-68.5	94	0	0	0	111.3	V365 V378 E392 M394 I395 L410 A412 E426 V427 Y428	V365-W435 HydrophobicContact CG1-CH2 4.27Å; V378-W435 HydrophobicContact CG2-CZ2 3.77Å; E392-W435 PolarHBondContact O-NE1 3.15Å; M394-W435 HydrophobicContact CG-CD2 4.07Å; M394-W435 HydrophobicContact CG-CE3 4.27Å; M394-W435 HydrophobicContact CG-CH2 3.93Å; M394-W435 HydrophobicContact CG-CZ2 3.7Å; M394-W435 HydrophobicContact CG-CZ3 4.21Å; M394-W435 HydrophobicContact SD-CH2 4.48Å; I395-W435 HydrophobicContact CD1-CB 4.1Å; I395-W435 HydrophobicContact CG1-CB 3.9Å; L410-W435 HydrophobicContact CD2-CH2 4.08Å; L410-W435 HydrophobicContact CD2-CZ2 4.46Å; L410-W435 HydrophobicContact CG-CH2 4.49Å; A412-W435 HydrophobicContact CB-CH2 3.96Å; A412-W435 HydrophobicContact CB-CZ3 3.54Å; E426-W435 HydrophobicContact CB-CE3 3.86Å; E426-W435 HydrophobicContact CB-CZ3 4.26Å; V427-W435 CarbonylContact O-C 3.47Å; V427-W435 WeakPolarHBondContact O-CA 3.44Å; Y428-W435 AromaticContact CD2-CD1 3.79Å; Y428-W435 HydrophobicContact CD2-CD2 4.01Å; Y428-W435 AromaticContact CD2-CE2 3.73Å; Y428-W435 HydrophobicContact CD2-CG 4.04Å; Y428-W435 HydrophobicContact CD2-CZ2 4.27Å; Y428-W435 AromaticContact CD2-NE1 3.58Å; Y428-W435 HydrophobicContact CG-CD2 4.28Å; Y428-W435 AromaticContact CG-CE2 3.99Å; Y428-W435 HydrophobicContact CG-CZ2 4.12Å
436	A	97.2	Very high	95.2	Very high	49 Å²	49	52.3 Å²	52.3	41%	0.405	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	158.7	171.6	0	0	0	0	0	110.2	E426 V427	E426-A436 CarbonylContact C-O 3.59Å; E426-A436 VanDerWaalsContact CA-O 3.25Å; E426-A436 WeakPolarHBondContact CA-O 3.41Å; V427-A436 HydrophobicContact CG1-CB 4.17Å; V427-A436 PolarHBondContact N-O 3.18Å; V427-A436 PolarHBondContact O-N 2.89Å
437	T	97.2	Very high	95.1	Very high	101 Å²	101	52.6 Å²	52.6	62%	0.62	29%	0.288	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.2	137.3	173.4	53.2	0	0	0	0	111.2	I395 E426	I395-T437 HydrophobicContact CD1-CG2 4.07Å; E426-T437 HydrophobicContact CG-CG2 4.18Å
438	V	97.3	Very high	95	Very high	27 Å²	27	52.5 Å²	52.5	16%	0.164	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	-178.5	170.7	-60.5	0	0	0	0	110.3	T425 V427 S440 Y475	T425-V438 HydrophobicContact CG2-CG2 3.59Å; T425-V438 PolarHBondContact O-N 3.39Å; V427-V438 HydrophobicContact CB-CG1 4.12Å; V427-V438 HydrophobicContact CG1-CG1 3.58Å; V438-S440 PolarHBondContact O-N 2.9Å; V438-Y475 HydrophobicContact CG2-CE2 4.41Å
439	A	97.4	Very high	95	Very high	27 Å²	27	52.2 Å²	52.2	22%	0.223	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-51.8	139.7	177	0	0	0	0	0	112.3	Y475 D480 W482	A439-Y475 HydrophobicContact CB-CE2 4.39Å; A439-D480 WeakPolarHBondContact CB-O 3.28Å; A439-D480 WeakPolarHBondContact CB-OD1 3.45Å; A439-D480 PolarHBondContact N-OD1 3.34Å; A439-W482 PolarHBondContact O-NE1 3.22Å
440	S	97.4	Very high	95.2	Very high	45 Å²	45	50.7 Å²	50.7	32%	0.315	29%	0.285	S	S	.	.	P	Polyproline II helix	trans	-80.1	147.9	178.3	-66.2	0	0	0	0	111.6	R423 V438	R423-S440 CarbonylContact O-C 3.58Å; R423-S440 WeakPolarHBondContact O-CA 3.16Å; R423-S440 WeakPolarHBondContact O-CB 3.46Å; V438-S440 PolarHBondContact O-N 2.9Å
441	M	97.7	Very high	95.6	Very high	3 Å²	3	49 Å²	49	2%	0.015	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-56.8	155.5	167.1	-63.5	179.7	-65.4	0	0	111.2	I413 R423 C443 R445 V459 W482	I413-M441 HydrophobicContact CG2-CE 3.97Å; I413-M441 HydrophobicContact CG2-CG 4.46Å; I413-M441 HydrophobicContact CG2-SD 3.51Å; I413-M441 VanDerWaalsContact CG2-SD 3.51Å; R423-M441 HydrophobicContact CB-CB 4.4Å; R423-M441 WeakPolarHBondContact CD-O 3.44Å; R423-M441 PolarHBondContact O-N 2.82Å; M441-C443 WeakPolarHBondContact CB-O 3.48Å; M441-R445 HydrophobicContact CE-CB 4.1Å; M441-R445 HydrophobicContact CE-CG 4.35Å; M441-R445 HydrophobicContact SD-CG 4.44Å; M441-V459 HydrophobicContact CG-CG1 4.47Å; M441-V459 HydrophobicContact SD-CB 4.36Å; M441-V459 HydrophobicContact SD-CG1 3.69Å; M441-V459 HydrophobicContact SD-CG2 4.14Å; M441-W482 HydrophobicContact CB-CD2 4.48Å; M441-W482 HydrophobicContact CG-CD2 3.8Å; M441-W482 HydrophobicContact CG-CE3 4.06Å; M441-W482 HydrophobicContact CG-CG 4.4Å; M441-W482 HydrophobicContact CG-CH2 4.08Å; M441-W482 HydrophobicContact CG-CZ2 3.81Å; M441-W482 HydrophobicContact CG-CZ3 4.21Å; M441-W482 HydrophobicContact SD-CH2 4.47Å
442	I	96	Very high	95.8	Very high	103 Å²	103	42.5 Å²	42.5	53%	0.528	25%	0.253	S	S	.	.	S	Bend	trans	-68	-46.4	174.7	-56.3	166.1	0	0	0	109.3	E473 L484	I442-E473 VanDerWaalsContact CB-OE2 3.31Å; I442-E473 WeakPolarHBondContact CB-OE2 3.38Å; I442-E473 WeakPolarHBondContact CG1-OE2 3.42Å; I442-E473 PolarHBondContact N-OE2 3.01Å; I442-L484 HydrophobicContact CD1-CB 4.21Å
443	C	93.3	Very high	95.8	Very high	36 Å²	36	39.6 Å²	39.6	24%	0.243	23%	0.232	C	C	.	.	S	Bend	trans	-97.8	150	177.1	-61.1	0	0	0	0	112.3	R423 M441 R445 L469 E473	R423-C443 WeakPolarHBondContact CB-O 3.33Å; M441-C443 WeakPolarHBondContact CB-O 3.48Å; C443-R445 HydrophobicContact CB-CG 4.28Å; C443-L469 HydrophobicContact CB-CD1 4.41Å; C443-E473 WeakPolarHBondContact CB-OE1 3.44Å; C443-E473 PolarHBondContact N-OE1 3.04Å; C443-E473 VanDerWaalsContact N-OE1 3.15Å
444	R	96.7	Very high	95.6	Very high	123 Å²	123	43 Å²	43	46%	0.464	25%	0.245	S	C	.	.			trans	-75.3	134.8	164.7	-62.2	176.5	-171.3	-145.1	8	108.5	R421 L422 R423 D464	R421-R444 HydrophobicContact CB-CB 4.32Å; R421-R444 WeakPolarHBondContact O-CD 3.39Å; L422-R444 WeakPolarHBondContact O-CA 3.37Å; R423-R444 HydrophobicContact CB-CG 4.06Å; R444-D464 WeakPolarHBondContact O-CA 3.36Å; R444-D464 WeakPolarHBondContact O-CB 3.41Å
445	R	96.9	Very high	95.4	Very high	2 Å²	2	38.4 Å²	38.4	1%	0.008	24%	0.237	C	C	.	.			trans	-145.1	129.6	-174.6	-57	-177.8	-177.4	-93.9	-3.1	111.5	G415 L422 M441 C443 A448 G461 L469 T471 E473	G415-R445 PolarHBondContact N-O 2.85Å; L422-R445 PolarHBondContact O-N 2.81Å; M441-R445 HydrophobicContact CE-CB 4.1Å; M441-R445 HydrophobicContact CE-CG 4.35Å; M441-R445 HydrophobicContact SD-CG 4.44Å; C443-R445 HydrophobicContact CB-CG 4.28Å; R445-A448 HydrophobicContact CB-CB 4.24Å; R445-G461 PolarHBondContact NH1-O 2.77Å; R445-L469 HydrophobicContact CG-CD1 3.91Å; R445-T471 PolarHBondContact NH1-O 3.04Å; R445-T471 PolarHBondContact NH1-OG1 2.81Å; R445-T471 PolarHBondContact NH2-O 3.22Å; R445-T471 PolarHBondContact NH2-OG1 3.33Å; R445-E473 IonicContact CZ-OE1 3.55Å; R445-E473 IonicContact NE-OE1 3.69Å; R445-E473 PolarHBondContact NE-OE1 3.13Å; R445-E473 IonicContact NH2-OE1 2.71Å; R445-E473 PolarHBondContact NH2-OE1 3.07Å
446	S	96.2	Very high	95.2	Very high	3 Å²	3	37.8 Å²	37.8	2%	0.021	24%	0.237	C	C	.	.	B	Isolated β-bridge	trans	-124.1	152.3	165	62.9	0	0	0	0	109.4	A448 G462 F463	S446-A448 PolarHBondContact O-N 2.8Å; S446-G462 CarbonylContact O-C 3.49Å; S446-G462 VanDerWaalsContact O-CA 3.28Å; S446-G462 WeakPolarHBondContact O-CA 3.32Å; S446-F463 PolarHBondContact N-O 2.81Å; S446-F463 PolarHBondContact O-N 2.9Å; S446-F463 PolarHBondContact OG-O 3.48Å
447	A	94.6	Very high	95.1	Very high	9 Å²	9	35.5 Å²	35.5	7%	0.074	22%	0.218	C	C	.	.	S	Bend	trans	53.6	35.7	-178.7	0	0	0	0	0	114	R400 A494 W798	R400-A447 HydrophobicContact CB-CB 4.24Å; R400-A447 PolarHBondContact O-N 2.93Å; A447-A494 HydrophobicContact CB-CB 4.42Å; A447-A494 PolarHBondContact O-N 2.79Å; A447-W798 HydrophobicContact CB-CH2 3.47Å; A447-W798 VanDerWaalsContact CB-CH2 3.47Å; A447-W798 HydrophobicContact CB-CZ2 4.08Å; A447-W798 HydrophobicContact CB-CZ3 4.05Å
448	A	95.9	Very high	95.1	Very high	18 Å²	18	30.7 Å²	30.7	15%	0.149	19%	0.188	C	C	.	.			trans	-86.1	154.5	173.5	0	0	0	0	0	110.9	R445 S446 V459	R445-A448 HydrophobicContact CB-CB 4.24Å; S446-A448 PolarHBondContact O-N 2.8Å; A448-V459 HydrophobicContact CB-CG2 3.7Å
449	G	95.7	Very high	95.1	Very high	9 Å²	9	29.6 Å²	29.6	9%	0.093	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	137.7	166	0	0	0	0	0	109.7	V459 C460	G449-V459 WeakPolarHBondContact O-CA 3.47Å; G449-C460 PolarHBondContact N-O 2.9Å; G449-C460 VanDerWaalsContact N-O 3.09Å; G449-C460 PolarHBondContact O-N 2.89Å
450	A	96.8	Very high	95.1	Very high	19 Å²	19	28.6 Å²	28.6	16%	0.157	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	141.5	177.3	0	0	0	0	0	111.3	V404 I413 Y458	V404-A450 HydrophobicContact CG2-CB 3.58Å; I413-A450 HydrophobicContact CD1-CB 4.09Å; A450-Y458 VanDerWaalsContact CA-O 3.24Å; A450-Y458 WeakPolarHBondContact CA-O 3.25Å
451	A	96.3	Very high	95.1	Very high	9 Å²	9	26.4 Å²	26.4	7%	0.074	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	155.7	-178.6	0	0	0	0	0	111.8	Y458 L497 L504	A451-Y458 PolarHBondContact N-O 2.77Å; A451-Y458 PolarHBondContact O-N 2.84Å; A451-L497 HydrophobicContact CB-CB 4.42Å; A451-L497 HydrophobicContact CB-CD2 3.9Å; A451-L497 HydrophobicContact CB-CG 3.83Å; A451-L504 HydrophobicContact CB-CD2 3.85Å
452	A	94.1	Very high	95	Very high	32 Å²	32	26.3 Å²	26.3	26%	0.264	16%	0.157	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	132.9	167.5	0	0	0	0	0	109.4	V404 A405 L406 C456 A499	V404-A452 HydrophobicContact CG1-CB 3.6Å; V404-A452 VanDerWaalsContact CG1-N 3.31Å; A405-A452 WeakPolarHBondContact O-CB 3.37Å; L406-A452 HydrophobicContact CB-CB 4.35Å; L406-A452 HydrophobicContact CD1-CB 4.24Å; A452-C456 WeakPolarHBondContact CA-O 3.49Å; A452-A499 WeakPolarHBondContact O-CB 3.23Å
453	Y	91.4	Very high	95	Very high	25 Å²	25	23.9 Å²	23.9	10%	0.098	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	133.4	178.7	169.7	-125.5	0	0	0	108.9	G455 C456 Y458 G502 L504 Y522 K524	Y453-G455 PolarHBondContact O-N 3.25Å; Y453-C456 PolarHBondContact N-O 2.84Å; Y453-C456 PolarHBondContact O-N 3.23Å; Y453-C456 VanDerWaalsContact O-O 3.08Å; Y453-Y458 HydrophobicContact CD1-CD2 4.14Å; Y453-Y458 HydrophobicContact CD1-CE1 4.37Å; Y453-Y458 AromaticContact CD1-CE2 3.52Å; Y453-Y458 HydrophobicContact CD1-CE2 3.52Å; Y453-Y458 AromaticContact CD1-CZ 3.65Å; Y453-Y458 HydrophobicContact CG-CE2 4.12Å; Y453-Y458 WeakPolarHBondContact O-CE2 3.47Å; Y453-G502 VanDerWaalsContact CE2-O 3.24Å; Y453-G502 WeakPolarHBondContact CE2-O 3.22Å; Y453-G502 PolarHBondContact OH-O 2.8Å; Y453-L504 HydrophobicContact CD1-CD1 3.39Å; Y453-L504 HydrophobicContact CD1-CG 3.58Å; Y453-L504 HydrophobicContact CD2-CG 4.47Å; Y453-L504 HydrophobicContact CE1-CD1 4.08Å; Y453-L504 HydrophobicContact CE1-CG 4.18Å; Y453-L504 HydrophobicContact CG-CD1 3.96Å; Y453-L504 HydrophobicContact CG-CD2 4.27Å; Y453-L504 HydrophobicContact CG-CG 3.73Å; Y453-Y522 HydrophobicContact CE1-CD1 4.22Å; Y453-Y522 HydrophobicContact CE1-CE1 4.23Å; Y453-K524 HydrophobicContact CE1-CB 3.9Å; Y453-K524 PolarHBondContact OH-N 2.82Å
454	D	87.4	Confident	95.1	Very high	98 Å²	98	24.5 Å²	24.5	52%	0.524	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	45.7	53.3	175.3	-162.8	45.9	0	0	0	114.4	C456 K524	D454-C456 PolarHBondContact O-N 3.39Å; D454-C456 VanDerWaalsContact O-N 3.09Å; D454-K524 HydrophobicContact CB-CD 4.42Å; D454-K524 VanDerWaalsContact OD2-CD 3.28Å; D454-K524 WeakPolarHBondContact OD2-CD 3.47Å; D454-K524 WeakPolarHBondContact OD2-CE 3.19Å; D454-K524 IonicContact OD2-NZ 2.85Å; D454-K524 PolarHBondContact OD2-NZ 2.96Å
455	G	90.4	Very high	94.9	Very high	44 Å²	44	19.9 Å²	19.9	45%	0.454	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.8	-0.8	179.5	0	0	0	0	0	116.2	Y453	Y453-G455 PolarHBondContact O-N 3.25Å
456	C	93.8	Very high	94.7	Very high	12 Å²	12	28 Å²	28	8%	0.081	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	160.4	-175.5	-60.6	0	0	0	0	111.8	A452 Y453 D454 Y458 M474 Y475	A452-C456 WeakPolarHBondContact CA-O 3.49Å; Y453-C456 PolarHBondContact N-O 2.84Å; Y453-C456 PolarHBondContact O-N 3.23Å; Y453-C456 VanDerWaalsContact O-O 3.08Å; D454-C456 PolarHBondContact O-N 3.39Å; D454-C456 VanDerWaalsContact O-N 3.09Å; C456-Y458 HydrophobicContact CB-CD2 4.33Å; C456-Y458 HydrophobicContact CB-CE2 3.77Å; C456-M474 HydrophobicContact CB-CG 3.79Å; C456-M474 HydrophobicContact CB-SD 4.15Å; C456-Y475 WeakPolarHBondContact CA-O 3.42Å; C456-Y475 VanDerWaalsContact CB-O 3.3Å; C456-Y475 WeakPolarHBondContact CB-O 3.35Å
457	L	95.6	Very high	94.6	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	139.5	167.1	-48.3	167.7	0	0	0	109.1	V404 L406 Y411 I413 M474 Y475	V404-L457 HydrophobicContact CB-CD2 4.02Å; V404-L457 HydrophobicContact CG1-CD2 3.53Å; L406-L457 HydrophobicContact CB-CD2 3.68Å; L406-L457 HydrophobicContact CD2-CD2 3.51Å; L406-L457 HydrophobicContact CD2-CG 3.75Å; L406-L457 HydrophobicContact CG-CD2 4.24Å; Y411-L457 HydrophobicContact CD1-CD1 3.56Å; Y411-L457 HydrophobicContact CD2-CD1 3.82Å; Y411-L457 HydrophobicContact CD2-CD2 4.03Å; Y411-L457 HydrophobicContact CE1-CD1 4.01Å; Y411-L457 HydrophobicContact CE2-CD1 4.25Å; Y411-L457 HydrophobicContact CE2-CD2 4.5Å; Y411-L457 HydrophobicContact CG-CD1 3.45Å; Y411-L457 VanDerWaalsContact CG-CD1 3.45Å; Y411-L457 HydrophobicContact CG-CD2 4.37Å; I413-L457 HydrophobicContact CD1-CD1 4.29Å; L457-M474 CarbonylContact O-C 3.55Å; L457-M474 VanDerWaalsContact O-CA 3.28Å; L457-M474 WeakPolarHBondContact O-CA 3.5Å; L457-Y475 HydrophobicContact CD1-CD1 3.61Å; L457-Y475 HydrophobicContact CD1-CE1 4.27Å; L457-Y475 HydrophobicContact CD1-CG 4.31Å; L457-Y475 HydrophobicContact CG-CD1 4.06Å; L457-Y475 PolarHBondContact N-O 2.61Å; L457-Y475 VanDerWaalsContact N-O 3.11Å; L457-Y475 PolarHBondContact O-N 3.4Å
458	Y	96.3	Very high	94.7	Very high	1 Å²	1	31.7 Å²	31.7	0%	0.004	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	138	174.9	-72	-105.7	0	0	0	109.6	A450 A451 Y453 C456 E473 M474 I485 L504 Y522	A450-Y458 VanDerWaalsContact CA-O 3.24Å; A450-Y458 WeakPolarHBondContact CA-O 3.25Å; A451-Y458 PolarHBondContact N-O 2.77Å; A451-Y458 PolarHBondContact O-N 2.84Å; Y453-Y458 HydrophobicContact CD1-CD2 4.14Å; Y453-Y458 HydrophobicContact CD1-CE1 4.37Å; Y453-Y458 AromaticContact CD1-CE2 3.52Å; Y453-Y458 HydrophobicContact CD1-CE2 3.52Å; Y453-Y458 AromaticContact CD1-CZ 3.65Å; Y453-Y458 HydrophobicContact CG-CE2 4.12Å; Y453-Y458 WeakPolarHBondContact O-CE2 3.47Å; C456-Y458 HydrophobicContact CB-CD2 4.33Å; C456-Y458 HydrophobicContact CB-CE2 3.77Å; Y458-E473 WeakPolarHBondContact CA-O 3.4Å; Y458-M474 HydrophobicContact CD1-CB 4.11Å; Y458-M474 HydrophobicContact CD1-CG 4.21Å; Y458-M474 HydrophobicContact CD2-CG 4.33Å; Y458-M474 HydrophobicContact CE1-CB 3.98Å; Y458-M474 HydrophobicContact CE1-CG 3.82Å; Y458-M474 HydrophobicContact CE1-SD 3.85Å; Y458-M474 HydrophobicContact CE2-CG 3.93Å; Y458-M474 HydrophobicContact CE2-SD 4.13Å; Y458-M474 HydrophobicContact CG-CG 4.47Å; Y458-M474 PolarHBondContact OH-SD 2.76Å; Y458-I485 HydrophobicContact CD1-CD1 3.62Å; Y458-I485 HydrophobicContact CE1-CD1 3.72Å; Y458-L504 HydrophobicContact CD1-CD1 3.55Å; Y458-L504 HydrophobicContact CD2-CD1 3.88Å; Y458-L504 HydrophobicContact CE1-CD1 3.96Å; Y458-L504 HydrophobicContact CE2-CD1 4.26Å; Y458-L504 HydrophobicContact CG-CD1 3.5Å; Y458-L504 VanDerWaalsContact CG-CD1 3.5Å; Y458-Y522 HydrophobicContact CE1-CE1 4.31Å
459	V	97.5	Very high	94.8	Very high	3 Å²	3	31.6 Å²	31.6	2%	0.018	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	126.6	173.3	66.9	0	0	0	0	109.7	I413 M441 A448 G449 C472 E473 W482	I413-V459 HydrophobicContact CG2-CB 4.48Å; I413-V459 HydrophobicContact CG2-CG2 4.28Å; M441-V459 HydrophobicContact CG-CG1 4.47Å; M441-V459 HydrophobicContact SD-CB 4.36Å; M441-V459 HydrophobicContact SD-CG1 3.69Å; M441-V459 HydrophobicContact SD-CG2 4.14Å; A448-V459 HydrophobicContact CB-CG2 3.7Å; G449-V459 WeakPolarHBondContact O-CA 3.47Å; V459-C472 CarbonylContact O-C 3.55Å; V459-C472 WeakPolarHBondContact O-CA 3.37Å; V459-E473 HydrophobicContact CG1-CB 3.82Å; V459-E473 PolarHBondContact N-O 3.12Å; V459-E473 PolarHBondContact O-N 2.83Å; V459-W482 HydrophobicContact CB-CZ3 4.22Å; V459-W482 HydrophobicContact CG1-CE3 4.19Å; V459-W482 HydrophobicContact CG1-CH2 4.12Å; V459-W482 HydrophobicContact CG1-CZ3 3.5Å; V459-W482 VanDerWaalsContact CG1-CZ3 3.5Å
460	C	97.4	Very high	94.8	Very high	6 Å²	6	38.5 Å²	38.5	4%	0.041	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	128.9	-170.1	-61.2	0	0	0	0	110.6	G449 C472 L488 L497	G449-C460 PolarHBondContact N-O 2.9Å; G449-C460 VanDerWaalsContact N-O 3.09Å; G449-C460 PolarHBondContact O-N 2.89Å; C460-C472 HydrophobicContact CB-CB 4.48Å; C460-C472 VanDerWaalsContact CB-SG 3.55Å; C460-C472 PolarHBondContact SG-SG 3Å; C460-L488 HydrophobicContact CB-CD1 4.27Å; C460-L497 HydrophobicContact CB-CD1 4.23Å; C460-L497 HydrophobicContact CB-CD2 4.05Å; C460-L497 VanDerWaalsContact SG-CD2 3.58Å
461	G	97	Very high	94.9	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	22%	0.215	C	C	.	.			trans	62.8	-137.5	178.4	0	0	0	0	0	114	R445 L469 T471 R492	R445-G461 PolarHBondContact NH1-O 2.77Å; G461-L469 VanDerWaalsContact CA-O 3.26Å; G461-L469 WeakPolarHBondContact CA-O 3.05Å; G461-T471 PolarHBondContact N-O 3.17Å; G461-T471 VanDerWaalsContact N-O 3.14Å; G461-R492 CarbonylContact C-O 3.59Å; G461-R492 WeakPolarHBondContact CA-O 3.5Å
462	G	96.6	Very high	94.9	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.212	C	C	.	.			trans	92.8	-169.2	-170.5	0	0	0	0	0	113.3	S446 S468 L469 R492	S446-G462 CarbonylContact O-C 3.49Å; S446-G462 VanDerWaalsContact O-CA 3.28Å; S446-G462 WeakPolarHBondContact O-CA 3.32Å; G462-S468 CarbonylContact O-C 3.6Å; G462-S468 WeakPolarHBondContact O-CA 3.22Å; G462-L469 PolarHBondContact O-N 3.35Å; G462-R492 PolarHBondContact N-O 3.45Å
463	F	96.2	Very high	95.1	Very high	53 Å²	53	37 Å²	37	23%	0.232	20%	0.199	C	C	.	.	B	Isolated β-bridge	trans	-126.5	124.3	-178.5	-175.3	-105.4	0	0	0	110	S446 G465 T467	S446-F463 PolarHBondContact N-O 2.81Å; S446-F463 PolarHBondContact O-N 2.9Å; S446-F463 PolarHBondContact OG-O 3.48Å; F463-G465 VanDerWaalsContact CE1-C 3.45Å; F463-T467 WeakPolarHBondContact CA-O 3.49Å; F463-T467 VanDerWaalsContact CD2-C 3.42Å; F463-T467 WeakPolarHBondContact CD2-O 3.37Å
464	D	95.4	Very high	95.3	Very high	48 Å²	48	37 Å²	37	26%	0.257	20%	0.201	S	C	.	.			trans	-83	-20.2	-176.9	59.7	5.8	0	0	0	113.9	R421 R444 Q466 T467 L469	R421-D464 WeakPolarHBondContact CB-O 3.24Å; R444-D464 WeakPolarHBondContact O-CA 3.36Å; R444-D464 WeakPolarHBondContact O-CB 3.41Å; D464-Q466 PolarHBondContact OD1-N 2.93Å; D464-T467 PolarHBondContact N-O 2.83Å; D464-T467 PolarHBondContact OD1-N 2.81Å; D464-L469 HydrophobicContact CB-CD1 4.24Å; D464-L469 HydrophobicContact CB-CD2 4.25Å; D464-L469 HydrophobicContact CB-CG 4.45Å
465	G	91.7	Very high	95.8	Very high	27 Å²	27	32.6 Å²	32.6	28%	0.278	18%	0.177	S	C	.	.	S	Bend	trans	128.2	-17.4	-171.7	0	0	0	0	0	113.8	F463	F463-G465 VanDerWaalsContact CE1-C 3.45Å
466	Q	92.7	Very high	96	Very high	173 Å²	173	31.4 Å²	31.4	81%	0.808	16%	0.16	S	C	*	.	S	Bend	trans	-126.5	-42.4	179.4	-60.4	-178.7	7.5	0	0	112	D464	D464-Q466 PolarHBondContact OD1-N 2.93Å
467	T	94.4	Very high	95.9	Very high	73 Å²	73	32.5 Å²	32.5	45%	0.448	17%	0.167	S	C	.	.	S	Bend	trans	-137.3	154.8	-172.1	67.5	0	0	0	0	113.2	F463 D464	F463-T467 WeakPolarHBondContact CA-O 3.49Å; F463-T467 VanDerWaalsContact CD2-C 3.42Å; F463-T467 WeakPolarHBondContact CD2-O 3.37Å; D464-T467 PolarHBondContact N-O 2.83Å; D464-T467 PolarHBondContact OD1-N 2.81Å
468	S	96.5	Very high	95.8	Very high	15 Å²	15	41.2 Å²	41.2	11%	0.105	21%	0.207	C	C	.	.	B	Isolated β-bridge	trans	-74.9	131.7	165.4	-58.5	0	0	0	0	109.2	G462 P491 S493 H510 N511	G462-S468 CarbonylContact O-C 3.6Å; G462-S468 WeakPolarHBondContact O-CA 3.22Å; S468-P491 VanDerWaalsContact O-CB 3.24Å; S468-P491 WeakPolarHBondContact O-CB 3.16Å; S468-S493 PolarHBondContact OG-OG 2.73Å; S468-H510 PolarHBondContact OG-O 3.11Å; S468-N511 WeakPolarHBondContact CB-O 3.43Å; S468-N511 WeakPolarHBondContact OG-CA 3.28Å; S468-N511 PolarHBondContact OG-O 3.33Å
469	L	97.1	Very high	95.8	Very high	17 Å²	17	46 Å²	46	9%	0.089	23%	0.23	C	C	.	.			trans	-90.7	144.1	-172.5	-60.6	175.9	0	0	0	111.9	C443 R445 G461 G462 D464 P491 R492	C443-L469 HydrophobicContact CB-CD1 4.41Å; R445-L469 HydrophobicContact CG-CD1 3.91Å; G461-L469 VanDerWaalsContact CA-O 3.26Å; G461-L469 WeakPolarHBondContact CA-O 3.05Å; G462-L469 PolarHBondContact O-N 3.35Å; D464-L469 HydrophobicContact CB-CD1 4.24Å; D464-L469 HydrophobicContact CB-CD2 4.25Å; D464-L469 HydrophobicContact CB-CG 4.45Å; L469-P491 CarbonylContact O-C 3.6Å; L469-P491 WeakPolarHBondContact O-CA 3.5Å; L469-R492 PolarHBondContact O-N 2.92Å
470	R	97	Very high	95.7	Very high	153 Å²	153	49.4 Å²	49.4	58%	0.577	25%	0.248	S	C	*	.			trans	-94.9	-19.1	162.9	66.9	169.9	-177.6	-91.7	-2.5	113.2	S487 L488	R470-S487 CarbonylContact O-C 3.5Å; R470-S487 WeakPolarHBondContact O-CA 3.3Å; R470-S487 WeakPolarHBondContact O-CB 3.48Å; R470-L488 HydrophobicContact CB-CB 4.5Å; R470-L488 PolarHBondContact O-N 3.29Å
471	T	97.4	Very high	95.7	Very high	28 Å²	28	51.7 Å²	51.7	17%	0.172	26%	0.262	C	S	.	.			trans	-68.4	146.1	-172.1	49.9	0	0	0	0	110.9	R445 G461 L484	R445-T471 PolarHBondContact NH1-O 3.04Å; R445-T471 PolarHBondContact NH1-OG1 2.81Å; R445-T471 PolarHBondContact NH2-O 3.22Å; R445-T471 PolarHBondContact NH2-OG1 3.33Å; G461-T471 PolarHBondContact N-O 3.17Å; G461-T471 VanDerWaalsContact N-O 3.14Å; T471-L484 HydrophobicContact CG2-CD1 4.31Å
472	C	97.7	Very high	95.7	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	142.4	179	-63.6	0	0	0	0	109.3	V459 C460 L484 I485	V459-C472 CarbonylContact O-C 3.55Å; V459-C472 WeakPolarHBondContact O-CA 3.37Å; C460-C472 HydrophobicContact CB-CB 4.48Å; C460-C472 VanDerWaalsContact CB-SG 3.55Å; C460-C472 PolarHBondContact SG-SG 3Å; C472-L484 WeakPolarHBondContact O-CD1 3.48Å; C472-I485 HydrophobicContact CB-CD1 3.87Å; C472-I485 HydrophobicContact CB-CG1 3.57Å; C472-I485 WeakPolarHBondContact O-CG1 3.45Å; C472-I485 PolarHBondContact O-N 2.98Å
473	E	97.4	Very high	95.7	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	148.7	-178.8	-60.3	172.2	-123.8	0	0	110.2	I442 C443 R445 Y458 V459 W482 K483 L484	I442-E473 VanDerWaalsContact CB-OE2 3.31Å; I442-E473 WeakPolarHBondContact CB-OE2 3.38Å; I442-E473 WeakPolarHBondContact CG1-OE2 3.42Å; I442-E473 PolarHBondContact N-OE2 3.01Å; C443-E473 WeakPolarHBondContact CB-OE1 3.44Å; C443-E473 PolarHBondContact N-OE1 3.04Å; C443-E473 VanDerWaalsContact N-OE1 3.15Å; R445-E473 IonicContact CZ-OE1 3.55Å; R445-E473 IonicContact NE-OE1 3.69Å; R445-E473 PolarHBondContact NE-OE1 3.13Å; R445-E473 IonicContact NH2-OE1 2.71Å; R445-E473 PolarHBondContact NH2-OE1 3.07Å; Y458-E473 WeakPolarHBondContact CA-O 3.4Å; V459-E473 HydrophobicContact CG1-CB 3.82Å; V459-E473 PolarHBondContact N-O 3.12Å; V459-E473 PolarHBondContact O-N 2.83Å; E473-W482 HydrophobicContact CB-CE3 3.84Å; E473-W482 HydrophobicContact CB-CZ3 4.38Å; E473-K483 CarbonylContact C-O 3.48Å; E473-K483 VanDerWaalsContact CA-O 3.3Å; E473-K483 WeakPolarHBondContact CA-O 3.43Å; E473-L484 HydrophobicContact CG-CD1 4.12Å
474	M	96.2	Very high	95.7	Very high	25 Å²	25	59.2 Å²	59.2	12%	0.123	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	126.8	179.8	-179.9	-172.4	71.5	0	0	109.3	C456 L457 Y458 I476 W482 K483 I485	C456-M474 HydrophobicContact CB-CG 3.79Å; C456-M474 HydrophobicContact CB-SD 4.15Å; L457-M474 CarbonylContact O-C 3.55Å; L457-M474 VanDerWaalsContact O-CA 3.28Å; L457-M474 WeakPolarHBondContact O-CA 3.5Å; Y458-M474 HydrophobicContact CD1-CB 4.11Å; Y458-M474 HydrophobicContact CD1-CG 4.21Å; Y458-M474 HydrophobicContact CD2-CG 4.33Å; Y458-M474 HydrophobicContact CE1-CB 3.98Å; Y458-M474 HydrophobicContact CE1-CG 3.82Å; Y458-M474 HydrophobicContact CE1-SD 3.85Å; Y458-M474 HydrophobicContact CE2-CG 3.93Å; Y458-M474 HydrophobicContact CE2-SD 4.13Å; Y458-M474 HydrophobicContact CG-CG 4.47Å; Y458-M474 PolarHBondContact OH-SD 2.76Å; M474-I476 HydrophobicContact CE-CD1 3.85Å; M474-I476 HydrophobicContact CE-CG1 3.84Å; M474-W482 CarbonylContact O-C 3.24Å; M474-W482 WeakPolarHBondContact O-CA 3.33Å; M474-K483 PolarHBondContact N-O 2.83Å; M474-K483 PolarHBondContact O-N 3.03Å; M474-I485 HydrophobicContact CB-CG2 3.8Å
475	Y	97.6	Very high	95.7	Very high	6 Å²	6	58.3 Å²	58.3	2%	0.024	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	130.5	172.4	178.8	-107.7	0	0	0	110.4	Y411 V438 A439 C456 L457 P477 D480 T481 W482	Y411-Y475 HydrophobicContact CE1-CE1 4.01Å; V438-Y475 HydrophobicContact CG2-CE2 4.41Å; A439-Y475 HydrophobicContact CB-CE2 4.39Å; C456-Y475 WeakPolarHBondContact CA-O 3.42Å; C456-Y475 VanDerWaalsContact CB-O 3.3Å; C456-Y475 WeakPolarHBondContact CB-O 3.35Å; L457-Y475 HydrophobicContact CD1-CD1 3.61Å; L457-Y475 HydrophobicContact CD1-CE1 4.27Å; L457-Y475 HydrophobicContact CD1-CG 4.31Å; L457-Y475 HydrophobicContact CG-CD1 4.06Å; L457-Y475 PolarHBondContact N-O 2.61Å; L457-Y475 VanDerWaalsContact N-O 3.11Å; L457-Y475 PolarHBondContact O-N 3.4Å; Y475-P477 HydrophobicContact CD1-CB 4.48Å; Y475-P477 HydrophobicContact CD1-CG 3.97Å; Y475-P477 VanDerWaalsContact CE1-CA 3.49Å; Y475-P477 HydrophobicContact CE1-CB 3.92Å; Y475-P477 HydrophobicContact CE1-CG 3.88Å; Y475-D480 WeakPolarHBondContact CE2-OD1 3.48Å; Y475-D480 PolarHBondContact OH-OD1 3.19Å; Y475-T481 WeakPolarHBondContact CA-O 3.22Å; Y475-W482 AromaticContact CD2-CD1 3.76Å; Y475-W482 HydrophobicContact CD2-CD2 4.1Å; Y475-W482 AromaticContact CD2-CE2 3.71Å; Y475-W482 HydrophobicContact CD2-CG 4.14Å; Y475-W482 HydrophobicContact CD2-CZ2 4.24Å; Y475-W482 AromaticContact CD2-NE1 3.47Å; Y475-W482 HydrophobicContact CG-CD2 4.34Å; Y475-W482 AromaticContact CG-CE2 3.98Å; Y475-W482 HydrophobicContact CG-CZ2 4.1Å
476	I	94.6	Very high	95.8	Very high	20 Å²	20	59 Å²	59	10%	0.103	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	106.2	174.5	-57.4	172.1	0	0	0	107.6	M474 E478 Q479 D480 T481 K483	M474-I476 HydrophobicContact CE-CD1 3.85Å; M474-I476 HydrophobicContact CE-CG1 3.84Å; I476-E478 VanDerWaalsContact C-N 3.3Å; I476-E478 HydrophobicContact CG2-CB 4.43Å; I476-E478 PolarHBondContact O-N 3.04Å; I476-Q479 HydrophobicContact CB-CB 4.23Å; I476-Q479 HydrophobicContact CB-CG 4.48Å; I476-Q479 HydrophobicContact CG2-CB 4.07Å; I476-Q479 HydrophobicContact CG2-CG 3.87Å; I476-Q479 PolarHBondContact O-N 2.78Å; I476-Q479 VanDerWaalsContact O-N 3.08Å; I476-D480 PolarHBondContact O-N 2.86Å; I476-D480 VanDerWaalsContact O-N 3.13Å; I476-T481 PolarHBondContact N-O 2.84Å; I476-K483 HydrophobicContact CD1-CD 3.79Å
477	P	92.5	Very high	96	Very high	34 Å²	34	52.5 Å²	52.5	22%	0.221	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-59	-37.3	-174.2	-24.3	32.8	0	0	0	114.3	L406 Y475 Q479 D480	L406-P477 HydrophobicContact CD2-CG 3.63Å; Y475-P477 HydrophobicContact CD1-CB 4.48Å; Y475-P477 HydrophobicContact CD1-CG 3.97Å; Y475-P477 VanDerWaalsContact CE1-CA 3.49Å; Y475-P477 HydrophobicContact CE1-CB 3.92Å; Y475-P477 HydrophobicContact CE1-CG 3.88Å; P477-Q479 PolarHBondContact O-N 3.07Å; P477-D480 PolarHBondContact O-N 3.02Å
478	E	92.9	Very high	96.1	Very high	183 Å²	183	49.3 Å²	49.3	86%	0.855	25%	0.248	S	C	*	.	G	3₁₀ helix	trans	-64	-25	179	-60	176.8	170.6	0	0	113.6	I476	I476-E478 VanDerWaalsContact C-N 3.3Å; I476-E478 HydrophobicContact CG2-CB 4.43Å; I476-E478 PolarHBondContact O-N 3.04Å
479	Q	95.3	Very high	96	Very high	101 Å²	101	53.2 Å²	53.2	47%	0.472	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-106.2	-7.2	-176.1	-64.2	173.5	17.2	0	0	112.2	I476 P477 T481	I476-Q479 HydrophobicContact CB-CB 4.23Å; I476-Q479 HydrophobicContact CB-CG 4.48Å; I476-Q479 HydrophobicContact CG2-CB 4.07Å; I476-Q479 HydrophobicContact CG2-CG 3.87Å; I476-Q479 PolarHBondContact O-N 2.78Å; I476-Q479 VanDerWaalsContact O-N 3.08Å; P477-Q479 PolarHBondContact O-N 3.07Å; Q479-T481 WeakPolarHBondContact CB-OG1 3.46Å; Q479-T481 WeakPolarHBondContact O-CG2 3.46Å; Q479-T481 PolarHBondContact O-N 2.75Å
480	D	96.4	Very high	95.7	Very high	76 Å²	76	56 Å²	56	41%	0.406	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	40.9	49.5	-166.4	-169.3	24.2	0	0	0	112.4	A439 Y475 I476 P477	A439-D480 WeakPolarHBondContact CB-O 3.28Å; A439-D480 WeakPolarHBondContact CB-OD1 3.45Å; A439-D480 PolarHBondContact N-OD1 3.34Å; Y475-D480 WeakPolarHBondContact CE2-OD1 3.48Å; Y475-D480 PolarHBondContact OH-OD1 3.19Å; I476-D480 PolarHBondContact O-N 2.86Å; I476-D480 VanDerWaalsContact O-N 3.13Å; P477-D480 PolarHBondContact O-N 3.02Å
481	T	97.2	Very high	95.6	Very high	53 Å²	53	50.6 Å²	50.6	33%	0.325	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	141.6	-179.5	50.3	0	0	0	0	113.2	Y475 I476 Q479	Y475-T481 WeakPolarHBondContact CA-O 3.22Å; I476-T481 PolarHBondContact N-O 2.84Å; Q479-T481 WeakPolarHBondContact CB-OG1 3.46Å; Q479-T481 WeakPolarHBondContact O-CG2 3.46Å; Q479-T481 PolarHBondContact O-N 2.75Å
482	W	97.7	Very high	95.6	Very high	20 Å²	20	49.8 Å²	49.8	8%	0.076	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	137.1	166.1	-68.9	88.5	0	0	0	110.6	I413 T425 A439 M441 V459 E473 M474 Y475	I413-W482 HydrophobicContact CD1-CH2 4.37Å; I413-W482 HydrophobicContact CG2-CH2 4.04Å; I413-W482 HydrophobicContact CG2-CZ2 4.31Å; T425-W482 HydrophobicContact CG2-CZ2 4.33Å; T425-W482 WeakPolarHBondContact OG1-CZ2 3.35Å; A439-W482 PolarHBondContact O-NE1 3.22Å; M441-W482 HydrophobicContact CB-CD2 4.48Å; M441-W482 HydrophobicContact CG-CD2 3.8Å; M441-W482 HydrophobicContact CG-CE3 4.06Å; M441-W482 HydrophobicContact CG-CG 4.4Å; M441-W482 HydrophobicContact CG-CH2 4.08Å; M441-W482 HydrophobicContact CG-CZ2 3.81Å; M441-W482 HydrophobicContact CG-CZ3 4.21Å; M441-W482 HydrophobicContact SD-CH2 4.47Å; V459-W482 HydrophobicContact CB-CZ3 4.22Å; V459-W482 HydrophobicContact CG1-CE3 4.19Å; V459-W482 HydrophobicContact CG1-CH2 4.12Å; V459-W482 HydrophobicContact CG1-CZ3 3.5Å; V459-W482 VanDerWaalsContact CG1-CZ3 3.5Å; E473-W482 HydrophobicContact CB-CE3 3.84Å; E473-W482 HydrophobicContact CB-CZ3 4.38Å; M474-W482 CarbonylContact O-C 3.24Å; M474-W482 WeakPolarHBondContact O-CA 3.33Å; Y475-W482 AromaticContact CD2-CD1 3.76Å; Y475-W482 HydrophobicContact CD2-CD2 4.1Å; Y475-W482 AromaticContact CD2-CE2 3.71Å; Y475-W482 HydrophobicContact CD2-CG 4.14Å; Y475-W482 HydrophobicContact CD2-CZ2 4.24Å; Y475-W482 AromaticContact CD2-NE1 3.47Å; Y475-W482 HydrophobicContact CG-CD2 4.34Å; Y475-W482 AromaticContact CG-CE2 3.98Å; Y475-W482 HydrophobicContact CG-CZ2 4.1Å
483	K	95.9	Very high	95.6	Very high	89 Å²	89	50 Å²	50	39%	0.387	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	136.1	176.6	-65.5	176.7	-178.6	170.3	0	109.6	E473 M474 I476	E473-K483 CarbonylContact C-O 3.48Å; E473-K483 VanDerWaalsContact CA-O 3.3Å; E473-K483 WeakPolarHBondContact CA-O 3.43Å; M474-K483 PolarHBondContact N-O 2.83Å; M474-K483 PolarHBondContact O-N 3.03Å; I476-K483 HydrophobicContact CD1-CD 3.79Å
484	L	96	Very high	95.4	Very high	102 Å²	102	50.1 Å²	50.1	53%	0.534	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	133.5	172	-169.6	75.6	0	0	0	109.2	I442 T471 C472 E473	I442-L484 HydrophobicContact CD1-CB 4.21Å; T471-L484 HydrophobicContact CG2-CD1 4.31Å; C472-L484 WeakPolarHBondContact O-CD1 3.48Å; E473-L484 HydrophobicContact CG-CD1 4.12Å
485	I	94.8	Very high	95.3	Very high	29 Å²	29	49.8 Å²	49.8	15%	0.149	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	-176.7	175.7	63.2	161.7	0	0	0	110.7	Y458 C472 M474 S487	Y458-I485 HydrophobicContact CD1-CD1 3.62Å; Y458-I485 HydrophobicContact CE1-CD1 3.72Å; C472-I485 HydrophobicContact CB-CD1 3.87Å; C472-I485 HydrophobicContact CB-CG1 3.57Å; C472-I485 WeakPolarHBondContact O-CG1 3.45Å; C472-I485 PolarHBondContact O-N 2.98Å; M474-I485 HydrophobicContact CB-CG2 3.8Å; I485-S487 PolarHBondContact O-N 3.12Å
486	S	94.3	Very high	95.2	Very high	42 Å²	42	49.9 Å²	49.9	29%	0.294	27%	0.267	S	S	.	.	P	Polyproline II helix	trans	-52.2	134.1	174.7	-164.7	0	0	0	0	111.4	N552 W554	S486-N552 WeakPolarHBondContact CB-O 3.28Å; S486-W554 VanDerWaalsContact O-CD1 3.29Å; S486-W554 PolarHBondContact O-NE1 3Å
487	S	96.4	Very high	95.3	Very high	37 Å²	37	49.5 Å²	49.5	26%	0.259	27%	0.265	S	S	.	.	P	Polyproline II helix	trans	-81.8	153.2	-178.4	-64.9	0	0	0	0	111.3	R470 I485 W554	R470-S487 CarbonylContact O-C 3.5Å; R470-S487 WeakPolarHBondContact O-CA 3.3Å; R470-S487 WeakPolarHBondContact O-CB 3.48Å; I485-S487 PolarHBondContact O-N 3.12Å; S487-W554 VanDerWaalsContact C-CD1 3.47Å; S487-W554 VanDerWaalsContact O-CD1 3.22Å
488	L	96.6	Very high	95.5	Very high	6 Å²	6	48.2 Å²	48.2	3%	0.031	26%	0.256	C	S	.	.	P	Polyproline II helix	trans	-58.9	154	166.7	-65.7	160.8	0	0	0	110.5	C460 R470 E490 R492 A506 E520 W554	C460-L488 HydrophobicContact CB-CD1 4.27Å; R470-L488 HydrophobicContact CB-CB 4.5Å; R470-L488 PolarHBondContact O-N 3.29Å; L488-E490 VanDerWaalsContact CB-O 3.29Å; L488-E490 WeakPolarHBondContact CB-O 3.31Å; L488-R492 HydrophobicContact CD1-CB 4.32Å; L488-R492 HydrophobicContact CD1-CG 4.41Å; L488-A506 HydrophobicContact CD2-CB 3.5Å; L488-A506 VanDerWaalsContact CD2-CB 3.5Å; L488-E520 HydrophobicContact CD2-CB 4.25Å; L488-W554 HydrophobicContact CD2-CD2 3.63Å; L488-W554 HydrophobicContact CD2-CE3 3.72Å; L488-W554 HydrophobicContact CD2-CG 4.12Å; L488-W554 HydrophobicContact CD2-CH2 4.34Å; L488-W554 HydrophobicContact CD2-CZ2 4.26Å; L488-W554 HydrophobicContact CD2-CZ3 4.09Å
489	N	94	Very high	95.5	Very high	97 Å²	97	41 Å²	41	52%	0.519	23%	0.228	S	C	.	.	S	Bend	trans	-69.8	-43.1	170.9	-62.1	-81.2	0	0	0	110.2	E520 W554	N489-E520 WeakPolarHBondContact CB-OE2 3.44Å; N489-E520 PolarHBondContact N-OE2 3.15Å; N489-E520 PolarHBondContact ND2-OE2 2.95Å; N489-W554 PolarHBondContact ND2-O 3.34Å
490	E	91.5	Very high	95.2	Very high	74 Å²	74	36.9 Å²	36.9	35%	0.346	21%	0.209	S	C	.	.	S	Bend	trans	-99.7	141.2	176.7	-67.2	-65	164.6	0	0	112.6	L488 R492 F516 E520	L488-E490 VanDerWaalsContact CB-O 3.29Å; L488-E490 WeakPolarHBondContact CB-O 3.31Å; E490-R492 HydrophobicContact CB-CG 4.13Å; E490-R492 PolarHBondContact O-N 3.46Å; E490-F516 HydrophobicContact CB-CE2 4.17Å; E490-F516 HydrophobicContact CB-CZ 4.13Å; E490-F516 HydrophobicContact CG-CE1 4.37Å; E490-F516 HydrophobicContact CG-CZ 4.3Å; E490-F516 WeakPolarHBondContact OE2-CZ 3.27Å; E490-E520 PolarHBondContact N-OE1 2.9Å
491	P	95.8	Very high	94.7	Very high	41 Å²	41	37.4 Å²	37.4	27%	0.266	21%	0.212	S	C	.	.			trans	-74.3	106.2	169.1	26.8	-28.3	0	0	0	110.6	S468 L469 N511	S468-P491 VanDerWaalsContact O-CB 3.24Å; S468-P491 WeakPolarHBondContact O-CB 3.16Å; L469-P491 CarbonylContact O-C 3.6Å; L469-P491 WeakPolarHBondContact O-CA 3.5Å; P491-N511 HydrophobicContact CG-CB 3.87Å; P491-N511 WeakPolarHBondContact O-CA 3.36Å; P491-N511 VanDerWaalsContact O-CB 3.27Å; P491-N511 WeakPolarHBondContact O-CB 3.26Å
492	R	97	Very high	94.1	Very high	10 Å²	10	37.3 Å²	37.3	4%	0.038	22%	0.221	C	C	.	.			trans	-112	122	-171.2	-64.1	173.6	-171.7	-89.2	-3.8	111.8	G461 G462 L469 L488 E490 G508 F516 T518 E520	G461-R492 CarbonylContact C-O 3.59Å; G461-R492 WeakPolarHBondContact CA-O 3.5Å; G462-R492 PolarHBondContact N-O 3.45Å; L469-R492 PolarHBondContact O-N 2.92Å; L488-R492 HydrophobicContact CD1-CB 4.32Å; L488-R492 HydrophobicContact CD1-CG 4.41Å; E490-R492 HydrophobicContact CB-CG 4.13Å; E490-R492 PolarHBondContact O-N 3.46Å; R492-G508 WeakPolarHBondContact CD-O 3.39Å; R492-G508 PolarHBondContact NH1-O 2.83Å; R492-F516 HydrophobicContact CG-CD2 4.2Å; R492-F516 HydrophobicContact CG-CE2 4.28Å; R492-T518 PolarHBondContact NH1-O 2.95Å; R492-T518 PolarHBondContact NH1-OG1 3.24Å; R492-T518 PolarHBondContact NH2-OG1 3.09Å; R492-E520 IonicContact CZ-OE1 3.53Å; R492-E520 IonicContact NE-OE1 3.29Å; R492-E520 PolarHBondContact NE-OE1 2.81Å; R492-E520 IonicContact NH2-OE1 2.7Å; R492-E520 PolarHBondContact NH2-OE1 3.03Å
493	S	96.4	Very high	93.8	Very high	4 Å²	4	39.5 Å²	39.5	3%	0.028	23%	0.229	C	C	.	.	B	Isolated β-bridge	trans	-116.4	153.6	162.4	68.8	0	0	0	0	110.5	S468 G495 G509 H510	S468-S493 PolarHBondContact OG-OG 2.73Å; S493-G495 PolarHBondContact O-N 3.09Å; S493-G509 CarbonylContact O-C 3.51Å; S493-G509 WeakPolarHBondContact O-CA 3.34Å; S493-H510 PolarHBondContact N-O 2.83Å; S493-H510 PolarHBondContact O-N 2.68Å; S493-H510 PolarHBondContact OG-CE1 3.47Å; S493-H510 VanDerWaalsContact OG-CE1 3.27Å; S493-H510 PolarHBondContact OG-ND1 2.87Å; S493-H510 PolarHBondContact OG-O 2.9Å
494	A	95.1	Very high	93.7	Very high	4 Å²	4	35.2 Å²	35.2	3%	0.033	21%	0.211	C	C	.	.	S	Bend	trans	54.6	35.5	-178.1	0	0	0	0	0	114.5	A447 C565 R566 W798	A447-A494 HydrophobicContact CB-CB 4.42Å; A447-A494 PolarHBondContact O-N 2.79Å; A494-C565 HydrophobicContact CB-CB 4.32Å; A494-C565 CarbonylContact O-C 3.54Å; A494-C565 WeakPolarHBondContact O-CA 3.44Å; A494-R566 HydrophobicContact CB-CG 3.68Å; A494-R566 PolarHBondContact O-N 3.19Å; A494-W798 HydrophobicContact CB-CH2 3.59Å; A494-W798 HydrophobicContact CB-CZ3 4.32Å
495	G	93.9	Very high	93.7	Very high	17 Å²	17	30.7 Å²	30.7	18%	0.175	19%	0.187	C	C	.	.			trans	-104.8	171.5	171.7	0	0	0	0	0	112	S493 I507	S493-G495 PolarHBondContact O-N 3.09Å; G495-I507 CarbonylContact C-O 3.47Å; G495-I507 VanDerWaalsContact CA-O 3.27Å; G495-I507 WeakPolarHBondContact CA-O 3.43Å
496	G	94.8	Very high	93.8	Very high	8 Å²	8	29.5 Å²	29.5	8%	0.082	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	155	173.8	0	0	0	0	0	113.1	A506 I507 H567 S569	G496-A506 WeakPolarHBondContact O-CA 3.49Å; G496-I507 PolarHBondContact N-O 2.91Å; G496-I507 PolarHBondContact O-N 2.97Å; G496-H567 PolarHBondContact N-NE2 2.82Å; G496-S569 WeakPolarHBondContact CA-OG 3.31Å
497	L	97.1	Very high	93.9	Very high	12 Å²	12	27.5 Å²	27.5	6%	0.063	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	124.2	164	-174.8	68.2	0	0	0	108.1	A451 C460 L504 Y505 A506 W554	A451-L497 HydrophobicContact CB-CB 4.42Å; A451-L497 HydrophobicContact CB-CD2 3.9Å; A451-L497 HydrophobicContact CB-CG 3.83Å; C460-L497 HydrophobicContact CB-CD1 4.23Å; C460-L497 HydrophobicContact CB-CD2 4.05Å; C460-L497 VanDerWaalsContact SG-CD2 3.58Å; L497-L504 HydrophobicContact CD1-CD2 4.26Å; L497-L504 HydrophobicContact CD2-CD2 4.49Å; L497-L504 HydrophobicContact CG-CD2 4.21Å; L497-Y505 WeakPolarHBondContact CA-O 3.31Å; L497-A506 HydrophobicContact CD1-CB 4.17Å; L497-W554 HydrophobicContact CD1-CH2 3.88Å
498	V	95.8	Very high	94	Very high	7 Å²	7	25.8 Å²	25.8	4%	0.042	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	131.2	-176	177.8	0	0	0	0	109.9	L504 Y505 I507 A571 I576	V498-L504 CarbonylContact O-C 3.42Å; V498-Y505 PolarHBondContact N-O 2.92Å; V498-Y505 PolarHBondContact O-N 3.06Å; V498-I507 HydrophobicContact CB-CD1 4.22Å; V498-I507 HydrophobicContact CG2-CD1 3.86Å; V498-A571 HydrophobicContact CG1-CB 3.76Å; V498-I576 HydrophobicContact CB-CD1 4.48Å; V498-I576 HydrophobicContact CB-CG2 4.27Å; V498-I576 HydrophobicContact CG1-CD1 4.4Å; V498-I576 HydrophobicContact CG1-CG1 4.23Å; V498-I576 HydrophobicContact CG1-CG2 4.18Å; V498-I576 HydrophobicContact CG2-CG2 4.07Å
499	A	93.3	Very high	94	Very high	32 Å²	32	25.5 Å²	25.5	26%	0.264	15%	0.154	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	130.3	168.6	0	0	0	0	0	110	A452 R503 L504	A452-A499 WeakPolarHBondContact O-CB 3.23Å; A499-R503 CarbonylContact C-O 3.56Å; A499-R503 WeakPolarHBondContact CA-O 3.3Å; A499-L504 HydrophobicContact CB-CD2 3.91Å
500	L	89.7	Confident	94.1	Very high	14 Å²	14	22.8 Å²	22.8	7%	0.073	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	134.3	178.6	177.8	63.5	0	0	0	110.5	G502 R503 Y505 A571 I576 P596	L500-G502 VanDerWaalsContact C-N 3.33Å; L500-G502 PolarHBondContact O-N 3.49Å; L500-R503 PolarHBondContact N-O 2.72Å; L500-R503 PolarHBondContact O-N 2.78Å; L500-Y505 HydrophobicContact CB-CD2 4.31Å; L500-Y505 HydrophobicContact CB-CE2 4.05Å; L500-A571 HydrophobicContact CD1-CB 4.34Å; L500-I576 HydrophobicContact CB-CG1 4.45Å; L500-I576 HydrophobicContact CD2-CD1 4.24Å; L500-I576 HydrophobicContact CD2-CG1 3.51Å; L500-P596 HydrophobicContact CD2-CG 3.98Å
501	N	85	Confident	94.2	Very high	88 Å²	88	21.6 Å²	21.6	47%	0.471	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.8	48.5	172.6	-60.9	-8.1	0	0	0	114.3	R503	N501-R503 VanDerWaalsContact C-N 3.29Å; N501-R503 PolarHBondContact O-N 3.47Å
502	G	85.3	Confident	93.8	Very high	50 Å²	50	22.4 Å²	22.4	52%	0.515	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	74	13.6	179	0	0	0	0	0	115	Y453 L500	Y453-G502 VanDerWaalsContact CE2-O 3.24Å; Y453-G502 WeakPolarHBondContact CE2-O 3.22Å; Y453-G502 PolarHBondContact OH-O 2.8Å; L500-G502 VanDerWaalsContact C-N 3.33Å; L500-G502 PolarHBondContact O-N 3.49Å
503	R	90.7	Very high	93.5	Very high	66 Å²	66	30.2 Å²	30.2	25%	0.249	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	157.7	-179	-68.5	170.6	172	161.2	5.1	112.1	A499 L500 N501 Y505 Y522 E523 N549 Y555	A499-R503 CarbonylContact C-O 3.56Å; A499-R503 WeakPolarHBondContact CA-O 3.3Å; L500-R503 PolarHBondContact N-O 2.72Å; L500-R503 PolarHBondContact O-N 2.78Å; N501-R503 VanDerWaalsContact C-N 3.29Å; N501-R503 PolarHBondContact O-N 3.47Å; R503-Y505 HydrophobicContact CB-CD2 4.43Å; R503-Y505 HydrophobicContact CB-CE2 3.68Å; R503-Y522 WeakPolarHBondContact CA-O 3.34Å; R503-E523 HydrophobicContact CG-CB 4.24Å; R503-E523 HydrophobicContact CG-CG 4.21Å; R503-E523 IonicContact CZ-OE2 3.7Å; R503-E523 IonicContact NE-OE2 3.21Å; R503-E523 PolarHBondContact NE-OE2 3.01Å; R503-E523 IonicContact NH2-OE1 2.73Å; R503-E523 IonicContact NH2-OE2 3.75Å; R503-E523 PolarHBondContact NH2-OE2 2.78Å; R503-N549 PolarHBondContact NH2-ND2 2.91Å; R503-Y555 PolarHBondContact NE-OH 2.81Å
504	L	93.6	Very high	93.3	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	138.5	170	-82.5	170.9	0	0	0	110.7	A451 Y453 Y458 L497 V498 A499 C521 Y522 W554	A451-L504 HydrophobicContact CB-CD2 3.85Å; Y453-L504 HydrophobicContact CD1-CD1 3.39Å; Y453-L504 HydrophobicContact CD1-CG 3.58Å; Y453-L504 HydrophobicContact CD2-CG 4.47Å; Y453-L504 HydrophobicContact CE1-CD1 4.08Å; Y453-L504 HydrophobicContact CE1-CG 4.18Å; Y453-L504 HydrophobicContact CG-CD1 3.96Å; Y453-L504 HydrophobicContact CG-CD2 4.27Å; Y453-L504 HydrophobicContact CG-CG 3.73Å; Y458-L504 HydrophobicContact CD1-CD1 3.55Å; Y458-L504 HydrophobicContact CD2-CD1 3.88Å; Y458-L504 HydrophobicContact CE1-CD1 3.96Å; Y458-L504 HydrophobicContact CE2-CD1 4.26Å; Y458-L504 HydrophobicContact CG-CD1 3.5Å; Y458-L504 VanDerWaalsContact CG-CD1 3.5Å; L497-L504 HydrophobicContact CD1-CD2 4.26Å; L497-L504 HydrophobicContact CD2-CD2 4.49Å; L497-L504 HydrophobicContact CG-CD2 4.21Å; V498-L504 CarbonylContact O-C 3.42Å; A499-L504 HydrophobicContact CB-CD2 3.91Å; L504-C521 CarbonylContact O-C 3.49Å; L504-C521 VanDerWaalsContact O-CA 3.26Å; L504-C521 WeakPolarHBondContact O-CA 3.33Å; L504-Y522 HydrophobicContact CD1-CD1 4.3Å; L504-Y522 PolarHBondContact N-O 3.12Å; L504-Y522 PolarHBondContact O-N 3.28Å; L504-W554 HydrophobicContact CB-CH2 4.11Å
505	Y	95.6	Very high	93.3	Very high	6 Å²	6	33.2 Å²	33.2	2%	0.024	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	116.6	-179.7	-64	-94.8	0	0	0	110.8	L497 V498 L500 R503 V519 E520 C521 V557 I576 F594	L497-Y505 WeakPolarHBondContact CA-O 3.31Å; V498-Y505 PolarHBondContact N-O 2.92Å; V498-Y505 PolarHBondContact O-N 3.06Å; L500-Y505 HydrophobicContact CB-CD2 4.31Å; L500-Y505 HydrophobicContact CB-CE2 4.05Å; R503-Y505 HydrophobicContact CB-CD2 4.43Å; R503-Y505 HydrophobicContact CB-CE2 3.68Å; Y505-V519 HydrophobicContact CD1-CG1 4.43Å; Y505-E520 CarbonylContact C-O 3.44Å; Y505-E520 VanDerWaalsContact CA-O 3.31Å; Y505-E520 WeakPolarHBondContact CA-O 3.38Å; Y505-C521 HydrophobicContact CD1-CB 4.06Å; Y505-C521 HydrophobicContact CE1-CB 3.98Å; Y505-V557 HydrophobicContact CD1-CG2 4.23Å; Y505-V557 HydrophobicContact CE1-CG2 4.38Å; Y505-I576 HydrophobicContact CD1-CD1 4.03Å; Y505-I576 HydrophobicContact CD2-CD1 3.6Å; Y505-I576 HydrophobicContact CE2-CD1 4.2Å; Y505-I576 HydrophobicContact CG-CD1 3.49Å; Y505-I576 VanDerWaalsContact CG-CD1 3.49Å; Y505-F594 HydrophobicContact CD1-CE1 4.27Å; Y505-F594 AromaticContact CE1-CE1 3.73Å; Y505-F594 HydrophobicContact CE1-CE1 3.73Å; Y505-F594 HydrophobicContact CE1-CZ 4.36Å
506	A	97.5	Very high	93.5	Very high	4 Å²	4	33.3 Å²	33.3	3%	0.033	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	119	173.8	0	0	0	0	0	109.8	L488 G496 L497 V519 E520 W554	L488-A506 HydrophobicContact CD2-CB 3.5Å; L488-A506 VanDerWaalsContact CD2-CB 3.5Å; G496-A506 WeakPolarHBondContact O-CA 3.49Å; L497-A506 HydrophobicContact CD1-CB 4.17Å; A506-V519 WeakPolarHBondContact O-CA 3.34Å; A506-E520 PolarHBondContact N-O 2.64Å; A506-E520 PolarHBondContact O-N 2.94Å; A506-W554 HydrophobicContact CB-CE3 4.32Å; A506-W554 HydrophobicContact CB-CH2 4.07Å; A506-W554 HydrophobicContact CB-CZ3 3.67Å
507	I	97.7	Very high	93.6	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.005	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	123.2	-159.8	-59.9	157.6	0	0	0	110.2	G495 G496 V498 V519 M560 H567 I576 V578	G495-I507 CarbonylContact C-O 3.47Å; G495-I507 VanDerWaalsContact CA-O 3.27Å; G495-I507 WeakPolarHBondContact CA-O 3.43Å; G496-I507 PolarHBondContact N-O 2.91Å; G496-I507 PolarHBondContact O-N 2.97Å; V498-I507 HydrophobicContact CB-CD1 4.22Å; V498-I507 HydrophobicContact CG2-CD1 3.86Å; I507-V519 HydrophobicContact CG1-CG1 3.88Å; I507-V519 HydrophobicContact CG2-CG2 4.24Å; I507-M560 HydrophobicContact CG2-CE 3.86Å; I507-M560 HydrophobicContact CG2-CG 4.49Å; I507-M560 HydrophobicContact CG2-SD 3.5Å; I507-M560 VanDerWaalsContact CG2-SD 3.5Å; I507-H567 PolarHBondContact O-CE1 2.88Å; I507-H567 PolarHBondContact O-NE2 2.82Å; I507-I576 HydrophobicContact CD1-CD1 4.42Å; I507-I576 HydrophobicContact CD1-CG2 3.72Å; I507-V578 HydrophobicContact CG2-CG2 3.91Å
508	G	97.2	Very high	93.5	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	23%	0.226	C	C	.	.			trans	55.4	-135.8	172.3	0	0	0	0	0	114.2	R492 F516 T518	R492-G508 WeakPolarHBondContact CD-O 3.39Å; R492-G508 PolarHBondContact NH1-O 2.83Å; G508-F516 WeakPolarHBondContact CA-O 3.46Å; G508-T518 PolarHBondContact N-O 2.87Å; G508-T518 VanDerWaalsContact N-O 3.14Å
509	G	96.9	Very high	93.6	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	23%	0.225	C	C	.	.			trans	91.9	-165.2	-175	0	0	0	0	0	112.9	S493 F516 R564	S493-G509 CarbonylContact O-C 3.51Å; S493-G509 WeakPolarHBondContact O-CA 3.34Å; G509-F516 PolarHBondContact O-N 2.88Å; G509-R564 PolarHBondContact N-O 3.42Å
510	H	96.4	Very high	93.7	Very high	40 Å²	40	34.4 Å²	34.4	19%	0.185	21%	0.212	C	C	.	.	B	Isolated β-bridge	trans	-145.4	153.7	174.2	70.7	90.1	0	0	0	112.1	S468 S493 G512 A514 V515 C565	S468-H510 PolarHBondContact OG-O 3.11Å; S493-H510 PolarHBondContact N-O 2.83Å; S493-H510 PolarHBondContact O-N 2.68Å; S493-H510 PolarHBondContact OG-CE1 3.47Å; S493-H510 VanDerWaalsContact OG-CE1 3.27Å; S493-H510 PolarHBondContact OG-ND1 2.87Å; S493-H510 PolarHBondContact OG-O 2.9Å; H510-G512 PolarHBondContact ND1-N 3.02Å; H510-A514 WeakPolarHBondContact CA-O 3.4Å; H510-A514 WeakPolarHBondContact CB-O 3.24Å; H510-V515 HydrophobicContact CB-CG2 4.34Å; H510-C565 HydrophobicContact CB-CB 4.26Å
511	N	93.7	Very high	93.9	Very high	50 Å²	50	33.8 Å²	33.8	27%	0.267	21%	0.209	S	C	.	.			trans	-92.8	-14	173	63.7	9.8	0	0	0	113.7	S468 P491 L513 A514 F516	S468-N511 WeakPolarHBondContact CB-O 3.43Å; S468-N511 WeakPolarHBondContact OG-CA 3.28Å; S468-N511 PolarHBondContact OG-O 3.33Å; P491-N511 HydrophobicContact CG-CB 3.87Å; P491-N511 WeakPolarHBondContact O-CA 3.36Å; P491-N511 VanDerWaalsContact O-CB 3.27Å; P491-N511 WeakPolarHBondContact O-CB 3.26Å; N511-L513 PolarHBondContact OD1-N 3.07Å; N511-A514 PolarHBondContact N-O 2.83Å; N511-A514 PolarHBondContact OD1-N 2.83Å; N511-A514 PolarHBondContact OD1-O 3.08Å; N511-F516 HydrophobicContact CB-CE2 4.03Å; N511-F516 HydrophobicContact CB-CZ 3.84Å
512	G	87.1	Confident	94.3	Very high	57 Å²	57	30.1 Å²	30.1	59%	0.588	19%	0.189	S	C	*	.	S	Bend	trans	118.8	-21.2	-174	0	0	0	0	0	113.1	H510	H510-G512 PolarHBondContact ND1-N 3.02Å
513	L	89.9	Confident	94.5	Very high	175 Å²	175	30.3 Å²	30.3	92%	0.916	18%	0.177	S	C	*	.	S	Bend	trans	-111.6	-44.6	175.5	-60.6	174.8	0	0	0	111.8	N511	N511-L513 PolarHBondContact OD1-N 3.07Å
514	A	93	Very high	94.1	Very high	45 Å²	45	30.1 Å²	30.1	37%	0.372	18%	0.178	S	C	.	.			trans	-118.6	143	-177.5	0	0	0	0	0	111.6	H510 N511 F516	H510-A514 WeakPolarHBondContact CA-O 3.4Å; H510-A514 WeakPolarHBondContact CB-O 3.24Å; N511-A514 PolarHBondContact N-O 2.83Å; N511-A514 PolarHBondContact OD1-N 2.83Å; N511-A514 PolarHBondContact OD1-O 3.08Å; A514-F516 HydrophobicContact CB-CE1 4.29Å
515	V	95.8	Very high	93.3	Very high	25 Å²	25	30.6 Å²	30.6	15%	0.152	18%	0.182	C	C	.	.	B	Isolated β-bridge	trans	-92.4	137.7	165.4	-175.8	0	0	0	0	108.2	H510 R563 C565	H510-V515 HydrophobicContact CB-CG2 4.34Å; V515-R563 HydrophobicContact CB-CB 4.32Å; V515-R563 HydrophobicContact CG1-CB 3.99Å; V515-R563 WeakPolarHBondContact O-CD 3.39Å; V515-C565 HydrophobicContact CG1-CB 4.02Å
516	F	96.8	Very high	91.5	Very high	19 Å²	19	33.7 Å²	33.7	8%	0.083	22%	0.216	C	C	.	.			trans	-100.9	142.3	-174.1	-57.4	-58.1	0	0	0	112.9	E490 R492 G508 G509 N511 A514 R564	E490-F516 HydrophobicContact CB-CE2 4.17Å; E490-F516 HydrophobicContact CB-CZ 4.13Å; E490-F516 HydrophobicContact CG-CE1 4.37Å; E490-F516 HydrophobicContact CG-CZ 4.3Å; E490-F516 WeakPolarHBondContact OE2-CZ 3.27Å; R492-F516 HydrophobicContact CG-CD2 4.2Å; R492-F516 HydrophobicContact CG-CE2 4.28Å; G508-F516 WeakPolarHBondContact CA-O 3.46Å; G509-F516 PolarHBondContact O-N 2.88Å; N511-F516 HydrophobicContact CB-CE2 4.03Å; N511-F516 HydrophobicContact CB-CZ 3.84Å; A514-F516 HydrophobicContact CB-CE1 4.29Å; F516-R564 PolarHBondContact O-N 3.15Å
517	S	96.6	Very high	88.8	Confident	33 Å²	33	40.9 Å²	40.9	23%	0.231	25%	0.254	C	S	.	.			trans	-99.6	-11.3	157.9	53.3	0	0	0	0	112.3	S559 M560 H562	S517-S559 WeakPolarHBondContact O-CA 3.47Å; S517-M560 WeakPolarHBondContact CB-O 3.24Å; S517-M560 PolarHBondContact O-N 2.89Å; S517-H562 WeakPolarHBondContact CB-O 3.45Å
518	T	96.6	Very high	85.5	Confident	46 Å²	46	47.9 Å²	47.9	28%	0.282	29%	0.291	S	S	.	.			trans	-68	148.8	-177.1	59.6	0	0	0	0	111.6	R492 G508	R492-T518 PolarHBondContact NH1-O 2.95Å; R492-T518 PolarHBondContact NH1-OG1 3.24Å; R492-T518 PolarHBondContact NH2-OG1 3.09Å; G508-T518 PolarHBondContact N-O 2.87Å; G508-T518 VanDerWaalsContact N-O 3.14Å
519	V	96.6	Very high	82.2	Confident	1 Å²	1	53 Å²	53	1%	0.006	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	136.5	-179.1	-176.3	0	0	0	0	108.5	Y505 A506 I507 V557 M560 W609	Y505-V519 HydrophobicContact CD1-CG1 4.43Å; A506-V519 WeakPolarHBondContact O-CA 3.34Å; I507-V519 HydrophobicContact CG1-CG1 3.88Å; I507-V519 HydrophobicContact CG2-CG2 4.24Å; V519-V557 HydrophobicContact CB-CG2 3.8Å; V519-V557 HydrophobicContact CG1-CG2 3.61Å; V519-V557 PolarHBondContact O-N 2.95Å; V519-M560 HydrophobicContact CG2-CG 4.07Å; V519-W609 HydrophobicContact CG2-CZ2 3.9Å
520	E	95.7	Very high	79	Confident	2 Å²	2	64.8 Å²	64.8	1%	0.009	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	141.5	179.7	-65.4	175.2	-118.3	0	0	109.9	L488 N489 E490 R492 Y505 A506 W554 Y555	L488-E520 HydrophobicContact CD2-CB 4.25Å; N489-E520 WeakPolarHBondContact CB-OE2 3.44Å; N489-E520 PolarHBondContact N-OE2 3.15Å; N489-E520 PolarHBondContact ND2-OE2 2.95Å; E490-E520 PolarHBondContact N-OE1 2.9Å; R492-E520 IonicContact CZ-OE1 3.53Å; R492-E520 IonicContact NE-OE1 3.29Å; R492-E520 PolarHBondContact NE-OE1 2.81Å; R492-E520 IonicContact NH2-OE1 2.7Å; R492-E520 PolarHBondContact NH2-OE1 3.03Å; Y505-E520 CarbonylContact C-O 3.44Å; Y505-E520 VanDerWaalsContact CA-O 3.31Å; Y505-E520 WeakPolarHBondContact CA-O 3.38Å; A506-E520 PolarHBondContact N-O 2.64Å; A506-E520 PolarHBondContact O-N 2.94Å; E520-W554 HydrophobicContact CB-CE3 3.84Å; E520-Y555 CarbonylContact C-O 3.55Å; E520-Y555 WeakPolarHBondContact CA-O 3.5Å
521	C	94.5	Very high	75.8	Confident	1 Å²	1	68.9 Å²	68.9	1%	0.007	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	142.7	-178.6	-175.7	0	0	0	0	110.4	L504 Y505 W554 Y555 V557	L504-C521 CarbonylContact O-C 3.49Å; L504-C521 VanDerWaalsContact O-CA 3.26Å; L504-C521 WeakPolarHBondContact O-CA 3.33Å; Y505-C521 HydrophobicContact CD1-CB 4.06Å; Y505-C521 HydrophobicContact CE1-CB 3.98Å; C521-W554 CarbonylContact O-C 3.48Å; C521-W554 WeakPolarHBondContact O-CA 3.42Å; C521-Y555 HydrophobicContact CB-CD2 4.21Å; C521-Y555 HydrophobicContact CB-CE1 4.22Å; C521-Y555 HydrophobicContact CB-CE2 3.83Å; C521-Y555 PolarHBondContact N-O 3.14Å; C521-Y555 VanDerWaalsContact O-CD1 3.28Å; C521-Y555 WeakPolarHBondContact O-CD1 3.09Å; C521-Y555 PolarHBondContact O-N 2.79Å; C521-Y555 PolarHBondContact SG-OH 2.78Å; C521-V557 HydrophobicContact CB-CG1 3.56Å
522	Y	93.6	Very high	72.7	Confident	12 Å²	12	74.1 Å²	74.1	5%	0.047	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	137	175.3	175.6	-86.7	0	0	0	110	Y453 Y458 R503 L504 K524 N552 W554	Y453-Y522 HydrophobicContact CE1-CD1 4.22Å; Y453-Y522 HydrophobicContact CE1-CE1 4.23Å; Y458-Y522 HydrophobicContact CE1-CE1 4.31Å; R503-Y522 WeakPolarHBondContact CA-O 3.34Å; L504-Y522 HydrophobicContact CD1-CD1 4.3Å; L504-Y522 PolarHBondContact N-O 3.12Å; L504-Y522 PolarHBondContact O-N 3.28Å; Y522-K524 HydrophobicContact CE1-CB 4.21Å; Y522-N552 VanDerWaalsContact CE2-C 3.45Å; Y522-N552 PolarHBondContact OH-OD1 3.37Å; Y522-W554 HydrophobicContact CD2-CD2 4.34Å; Y522-W554 HydrophobicContact CD2-CG 4.4Å; Y522-W554 AromaticContact CD2-NE1 3.94Å; Y522-W554 HydrophobicContact CG-CD2 4.43Å; Y522-W554 HydrophobicContact CG-CZ2 4.26Å
523	E	89.7	Confident	70.1	Confident	54 Å²	54	77.2 Å²	77.2	25%	0.252	43%	0.433	S	S	.	.			trans	-129.6	120.2	178.3	-170.4	168.3	159.8	0	0	108.3	R503 G525 T551 N552	R503-E523 HydrophobicContact CG-CB 4.24Å; R503-E523 HydrophobicContact CG-CG 4.21Å; R503-E523 IonicContact CZ-OE2 3.7Å; R503-E523 IonicContact NE-OE2 3.21Å; R503-E523 PolarHBondContact NE-OE2 3.01Å; R503-E523 IonicContact NH2-OE1 2.73Å; R503-E523 IonicContact NH2-OE2 3.75Å; R503-E523 PolarHBondContact NH2-OE2 2.78Å; E523-G525 PolarHBondContact O-N 3.06Å; E523-T551 CarbonylContact O-C 3.56Å; E523-T551 WeakPolarHBondContact O-CA 3.42Å; E523-N552 PolarHBondContact O-N 2.71Å
524	K	81.8	Confident	67.2	Low	62 Å²	62	74.4 Å²	74.4	27%	0.27	43%	0.428	S	S	.	.	P	Polyproline II helix	trans	-70.4	126.7	179.9	-173.2	-179.2	173.3	-171.9	0	109.4	Y453 D454 Y522	Y453-K524 HydrophobicContact CE1-CB 3.9Å; Y453-K524 PolarHBondContact OH-N 2.82Å; D454-K524 HydrophobicContact CB-CD 4.42Å; D454-K524 VanDerWaalsContact OD2-CD 3.28Å; D454-K524 WeakPolarHBondContact OD2-CD 3.47Å; D454-K524 WeakPolarHBondContact OD2-CE 3.19Å; D454-K524 IonicContact OD2-NZ 2.85Å; D454-K524 PolarHBondContact OD2-NZ 2.96Å; Y522-K524 HydrophobicContact CE1-CB 4.21Å
525	G	77	Confident	64.5	Low	10 Å²	10	77.7 Å²	77.7	10%	0.103	45%	0.449	C	S	.	.	P	Polyproline II helix	trans	-70.1	131.6	171.6	0	0	0	0	0	110.1	E523 N552	E523-G525 PolarHBondContact O-N 3.06Å; G525-N552 PolarHBondContact N-OD1 2.87Å
526	G	57.5	Low	61.4	Low	71 Å²	71	87.2 Å²	87.2	73%	0.732	48%	0.482	S	S	*	.	P	Polyproline II helix	trans	-68	131.1	177.9	0	0	0	0	0	112.2	L528	G526-L528 PolarHBondContact O-N 2.59Å
527	D	40.7	Very low	58.4	Low	155 Å²	155	96.1 Å²	96.1	83%	0.829	52%	0.521	S	S	*	.	S	Bend	trans	-74.1	69.9	174.4	-74.1	-47.4	0	0	0	111.3
528	L	28.2	Very low	55.1	Low	148 Å²	148	103.4 Å²	103.4	78%	0.775	55%	0.551	S	S	*	*			trans	-140.7	112.7	172.8	-100.6	157.3	0	0	0	109.3	G526 R530	G526-L528 PolarHBondContact O-N 2.59Å; L528-R530 PolarHBondContact O-N 2.83Å; L528-R530 VanDerWaalsContact O-N 3.11Å
529	P	27.7	Very low	52.1	Low	108 Å²	108	108 Å²	108	70%	0.701	58%	0.58	S	S	*	*			trans	-68	113.4	177.2	27.5	-32.6	0	0	0	109.6	T531	P529-T531 PolarHBondContact O-N 3.1Å
530	R	30	Very low	48.7	Very low	246 Å²	246	111.5 Å²	111.5	93%	0.928	62%	0.616	S	S	*	*			trans	-68.7	82.1	168.8	-76.1	-170.6	177.5	-155.7	0.6	110.2	L528 L532	L528-R530 PolarHBondContact O-N 2.83Å; L528-R530 VanDerWaalsContact O-N 3.11Å; R530-L532 PolarHBondContact O-N 2.96Å; R530-L532 VanDerWaalsContact O-N 3.12Å
531	T	28.4	Very low	45.8	Very low	126 Å²	126	120.1 Å²	120.1	77%	0.773	66%	0.656	S	S	*	*			trans	-77.1	89.7	170.1	49.5	0	0	0	0	110.6	P529	P529-T531 PolarHBondContact O-N 3.1Å
532	L	30.4	Very low	42.7	Very low	161 Å²	161	129.6 Å²	129.6	84%	0.843	70%	0.7	S	S	*	*			trans	-128.8	116.9	160.5	-97	162.7	0	0	0	108.4	R530	R530-L532 PolarHBondContact O-N 2.96Å; R530-L532 VanDerWaalsContact O-N 3.12Å
533	P	30.5	Very low	39.7	Very low	121 Å²	121	136.1 Å²	136.1	79%	0.786	74%	0.736	S	S	*	*			trans	-71.3	150	-177	-15.5	29.2	0	0	0	112.9
534	S	30.5	Very low	36.8	Very low	116 Å²	116	141.6 Å²	141.6	81%	0.811	77%	0.767	S	S	*	*			trans	-55.5	138.2	172.8	121.7	0	0	0	0	112.9
535	S	35.2	Very low	34.2	Very low	115 Å²	115	142 Å²	142	80%	0.804	79%	0.788	S	S	*	*			trans	-138.5	139.1	135.1	63.4	0	0	0	0	110.8
536	R	32.2	Very low	32.1	Very low	225 Å²	225	149.1 Å²	149.1	85%	0.849	82%	0.823	S	S	*	*			trans	-67.5	143.3	179.4	-65.6	163	166.8	157.5	-6.9	110.5
537	F	33.4	Very low	31.1	Very low	205 Å²	205	156.8 Å²	156.8	90%	0.899	83%	0.829	S	S	*	*				-152.5	117.5	121.7	-94.8	-69.7	0	0	0	109.6
538	E	27.1	Very low	31.5	Very low	187 Å²	187	157.9 Å²	157.9	87%	0.874	83%	0.83	S	S	*	*			trans	-83.1	126.3	165.3	-66.8	174.5	137.8	0	0	108.7
539	T	33.4	Very low	32.9	Very low	142 Å²	142	153 Å²	153	87%	0.871	80%	0.804	S	S	*	*			trans	-160.8	125.6	141.2	20.2	0	0	0	0	107.4
540	G	26.1	Very low	34.7	Very low	75 Å²	75	150.7 Å²	150.7	77%	0.773	79%	0.789	S	S	*	*			trans	-80.2	142.6	-159.1	0	0	0	0	0	115.1
541	H	34.1	Very low	37	Very low	182 Å²	182	142.6 Å²	142.6	84%	0.843	77%	0.767	S	S	*	*			trans	-132.8	136.8	150.3	-94.2	23.2	0	0	0	108.6	N543	H541-N543 PolarHBondContact O-N 2.93Å
542	Q	28.7	Very low	39.8	Very low	201 Å²	201	140.1 Å²	140.1	94%	0.939	75%	0.749	S	S	*	*			trans	-72.1	106.7	176.4	-67.2	175.5	-5.8	0	0	108.8
543	N	31.2	Very low	42.7	Very low	149 Å²	149	135.7 Å²	135.7	80%	0.797	73%	0.729	S	S	*	*			trans	-124	132.2	170.3	-98.6	-20.6	0	0	0	109.7	H541 G545	H541-N543 PolarHBondContact O-N 2.93Å; N543-G545 PolarHBondContact O-N 3.02Å
544	N	28.6	Very low	45.7	Very low	169 Å²	169	130.2 Å²	130.2	90%	0.904	69%	0.692	S	S	*	*			trans	-60.1	108.6	-176.7	-75.7	-34.1	0	0	0	110.7	I546	N544-I546 PolarHBondContact O-N 3.32Å
545	G	26.6	Very low	48.7	Very low	70 Å²	70	126.1 Å²	126.1	72%	0.722	66%	0.66	S	S	*	*			trans	-67.5	121.2	-178.9	0	0	0	0	0	111.8	N543 R547	N543-G545 PolarHBondContact O-N 3.02Å; G545-R547 PolarHBondContact O-N 3.49Å
546	I	33	Very low	51.4	Low	160 Å²	160	123.9 Å²	123.9	82%	0.821	64%	0.644	S	S	*	*			trans	-58.2	108	165.3	-61.4	168.2	0	0	0	107.2	N544 Q548	N544-I546 PolarHBondContact O-N 3.32Å; I546-Q548 PolarHBondContact O-N 3.39Å
547	R	37.7	Very low	54.3	Low	231 Å²	231	113.5 Å²	113.5	87%	0.872	61%	0.605	S	S	*	*			trans	-62.6	108.9	173.7	-83.3	-173.9	169.9	-163.1	-2	108.5	G545	G545-R547 PolarHBondContact O-N 3.49Å
548	Q	48.1	Very low	57.1	Low	179 Å²	179	103.8 Å²	103.8	84%	0.836	56%	0.563	S	S	*	*	P	Polyproline II helix	trans	-70.4	133.4	167.4	-65.9	-178	2.4	0	0	108.6	I546	I546-Q548 PolarHBondContact O-N 3.39Å
549	N	57.4	Low	60.3	Low	44 Å²	44	97 Å²	97	24%	0.235	54%	0.536	C	S	.	.	P	Polyproline II helix	trans	-68.2	144.5	176.6	-71.4	-18.8	0	0	0	110.2	R503 T551 Y555	R503-N549 PolarHBondContact NH2-ND2 2.91Å; N549-T551 PolarHBondContact O-N 3.06Å; N549-Y555 HydrophobicContact CB-CE1 4.12Å; N549-Y555 HydrophobicContact CB-CE2 4.45Å; N549-Y555 PolarHBondContact ND2-OH 3.26Å; N549-Y555 VanDerWaalsContact ND2-OH 3.12Å
550	P	66.6	Low	63.3	Low	61 Å²	61	90.6 Å²	90.6	40%	0.396	50%	0.496	S	S	.	.	P	Polyproline II helix	trans	-70.3	125.3	-179.5	29	-33.5	0	0	0	110.5	V553 Y555	P550-V553 HydrophobicContact CB-CB 4.4Å; P550-Y555 HydrophobicContact CG-CD1 3.72Å; P550-Y555 HydrophobicContact CG-CE1 4.49Å; P550-Y555 HydrophobicContact CG-CG 4.06Å
551	T	78.7	Confident	66.6	Low	76 Å²	76	91.6 Å²	91.6	47%	0.466	48%	0.484	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	150.7	173	53.3	0	0	0	0	111	E523 N549 V553	E523-T551 CarbonylContact O-C 3.56Å; E523-T551 WeakPolarHBondContact O-CA 3.42Å; N549-T551 PolarHBondContact O-N 3.06Å; T551-V553 PolarHBondContact O-N 3.38Å; T551-V553 VanDerWaalsContact O-N 3.11Å
552	N	85.8	Confident	69.5	Low	73 Å²	73	85.5 Å²	85.5	39%	0.39	46%	0.455	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.9	16.9	179.1	-62.4	-30.3	0	0	0	115.6	S486 Y522 E523 G525	S486-N552 WeakPolarHBondContact CB-O 3.28Å; Y522-N552 VanDerWaalsContact CE2-C 3.45Å; Y522-N552 PolarHBondContact OH-OD1 3.37Å; E523-N552 PolarHBondContact O-N 2.71Å; G525-N552 PolarHBondContact N-OD1 2.87Å
553	V	91.2	Very high	72.7	Confident	69 Å²	69	82.6 Å²	82.6	42%	0.418	44%	0.436	S	S	.	.	S	Bend	trans	-134.5	145.6	178.4	-177.2	0	0	0	0	110.1	P550 T551	P550-V553 HydrophobicContact CB-CB 4.4Å; T551-V553 PolarHBondContact O-N 3.38Å; T551-V553 VanDerWaalsContact O-N 3.11Å
554	W	94.1	Very high	75.9	Confident	5 Å²	5	75.5 Å²	75.5	2%	0.019	40%	0.398	C	S	.	.			trans	-78.6	125.8	173.3	-68.2	92.2	0	0	0	111.3	S486 S487 L488 N489 L497 L504 A506 E520 C521 Y522	S486-W554 VanDerWaalsContact O-CD1 3.29Å; S486-W554 PolarHBondContact O-NE1 3Å; S487-W554 VanDerWaalsContact C-CD1 3.47Å; S487-W554 VanDerWaalsContact O-CD1 3.22Å; L488-W554 HydrophobicContact CD2-CD2 3.63Å; L488-W554 HydrophobicContact CD2-CE3 3.72Å; L488-W554 HydrophobicContact CD2-CG 4.12Å; L488-W554 HydrophobicContact CD2-CH2 4.34Å; L488-W554 HydrophobicContact CD2-CZ2 4.26Å; L488-W554 HydrophobicContact CD2-CZ3 4.09Å; N489-W554 PolarHBondContact ND2-O 3.34Å; L497-W554 HydrophobicContact CD1-CH2 3.88Å; L504-W554 HydrophobicContact CB-CH2 4.11Å; A506-W554 HydrophobicContact CB-CE3 4.32Å; A506-W554 HydrophobicContact CB-CH2 4.07Å; A506-W554 HydrophobicContact CB-CZ3 3.67Å; E520-W554 HydrophobicContact CB-CE3 3.84Å; C521-W554 CarbonylContact O-C 3.48Å; C521-W554 WeakPolarHBondContact O-CA 3.42Å; Y522-W554 HydrophobicContact CD2-CD2 4.34Å; Y522-W554 HydrophobicContact CD2-CG 4.4Å; Y522-W554 AromaticContact CD2-NE1 3.94Å; Y522-W554 HydrophobicContact CG-CD2 4.43Å; Y522-W554 HydrophobicContact CG-CZ2 4.26Å
555	Y	92.8	Very high	79.1	Confident	31 Å²	31	67.7 Å²	67.7	12%	0.122	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	146.1	176.9	61.9	-89.2	0	0	0	111.8	R503 E520 C521 N549 P550 V557	R503-Y555 PolarHBondContact NE-OH 2.81Å; E520-Y555 CarbonylContact C-O 3.55Å; E520-Y555 WeakPolarHBondContact CA-O 3.5Å; C521-Y555 HydrophobicContact CB-CD2 4.21Å; C521-Y555 HydrophobicContact CB-CE1 4.22Å; C521-Y555 HydrophobicContact CB-CE2 3.83Å; C521-Y555 PolarHBondContact N-O 3.14Å; C521-Y555 VanDerWaalsContact O-CD1 3.28Å; C521-Y555 WeakPolarHBondContact O-CD1 3.09Å; C521-Y555 PolarHBondContact O-N 2.79Å; C521-Y555 PolarHBondContact SG-OH 2.78Å; N549-Y555 HydrophobicContact CB-CE1 4.12Å; N549-Y555 HydrophobicContact CB-CE2 4.45Å; N549-Y555 PolarHBondContact ND2-OH 3.26Å; N549-Y555 VanDerWaalsContact ND2-OH 3.12Å; P550-Y555 HydrophobicContact CG-CD1 3.72Å; P550-Y555 HydrophobicContact CG-CE1 4.49Å; P550-Y555 HydrophobicContact CG-CG 4.06Å; Y555-V557 HydrophobicContact CD2-CG1 4.23Å; Y555-V557 HydrophobicContact CE2-CG1 3.98Å
556	S	93	Very high	82.4	Confident	67 Å²	67	67.9 Å²	67.9	47%	0.469	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	141.8	-179.6	-53.4	0	0	0	0	112.4
557	V	92.6	Very high	85.4	Confident	7 Å²	7	61 Å²	61	4%	0.042	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	178.5	168.3	-63.2	0	0	0	0	110	Y505 V519 C521 Y555 S559 F594	Y505-V557 HydrophobicContact CD1-CG2 4.23Å; Y505-V557 HydrophobicContact CE1-CG2 4.38Å; V519-V557 HydrophobicContact CB-CG2 3.8Å; V519-V557 HydrophobicContact CG1-CG2 3.61Å; V519-V557 PolarHBondContact O-N 2.95Å; C521-V557 HydrophobicContact CB-CG1 3.56Å; Y555-V557 HydrophobicContact CD2-CG1 4.23Å; Y555-V557 HydrophobicContact CE2-CG1 3.98Å; V557-S559 PolarHBondContact O-N 2.76Å; V557-F594 HydrophobicContact CB-CZ 4.42Å; V557-F594 HydrophobicContact CG2-CZ 4.26Å
558	A	93.2	Very high	88.2	Confident	2 Å²	2	50.1 Å²	50.1	2%	0.017	26%	0.26	C	S	.	.	P	Polyproline II helix	trans	-53	134.8	-177.2	0	0	0	0	0	111.6	F594 D601 L605 H606 G607 W609	A558-F594 HydrophobicContact CB-CE2 4.29Å; A558-D601 HydrophobicContact CB-CB 3.87Å; A558-L605 HydrophobicContact CB-CB 4.41Å; A558-H606 PolarHBondContact N-O 3.35Å; A558-G607 WeakPolarHBondContact CB-O 3.48Å; A558-W609 PolarHBondContact O-NE1 2.97Å
559	S	94.6	Very high	90.4	Very high	43 Å²	43	42.9 Å²	42.9	30%	0.301	23%	0.229	S	C	.	.	P	Polyproline II helix	trans	-79.2	148.5	-176.9	-64.2	0	0	0	0	111.6	S517 V557 W609	S517-S559 WeakPolarHBondContact O-CA 3.47Å; V557-S559 PolarHBondContact O-N 2.76Å; S559-W609 VanDerWaalsContact C-CD1 3.41Å
560	M	96	Very high	92.2	Very high	8 Å²	8	42.2 Å²	42.2	4%	0.039	23%	0.226	C	C	.	.	P	Polyproline II helix	trans	-56.1	152.2	172.5	-69.3	-176.6	-62.9	0	0	111.4	I507 S517 V519 H562 R564 V578 E592 W609	I507-M560 HydrophobicContact CG2-CE 3.86Å; I507-M560 HydrophobicContact CG2-CG 4.49Å; I507-M560 HydrophobicContact CG2-SD 3.5Å; I507-M560 VanDerWaalsContact CG2-SD 3.5Å; S517-M560 WeakPolarHBondContact CB-O 3.24Å; S517-M560 PolarHBondContact O-N 2.89Å; V519-M560 HydrophobicContact CG2-CG 4.07Å; M560-H562 VanDerWaalsContact CB-O 3.3Å; M560-H562 WeakPolarHBondContact CB-O 3.46Å; M560-H562 PolarHBondContact O-N 3.11Å; M560-R564 HydrophobicContact CE-CB 4.04Å; M560-R564 HydrophobicContact CE-CG 4.31Å; M560-R564 HydrophobicContact SD-CG 4.49Å; M560-V578 HydrophobicContact SD-CB 4.33Å; M560-V578 HydrophobicContact SD-CG1 3.96Å; M560-V578 HydrophobicContact SD-CG2 4.13Å; M560-E592 WeakPolarHBondContact CB-OE2 3.12Å; M560-W609 HydrophobicContact CB-CD2 4.43Å; M560-W609 HydrophobicContact CG-CD2 3.92Å; M560-W609 HydrophobicContact CG-CE3 4.06Å; M560-W609 HydrophobicContact CG-CH2 3.75Å; M560-W609 HydrophobicContact CG-CZ2 3.59Å; M560-W609 HydrophobicContact CG-CZ3 3.98Å; M560-W609 HydrophobicContact SD-CH2 4.25Å
561	L	94.5	Very high	93.4	Very high	97 Å²	97	40.7 Å²	40.7	51%	0.508	22%	0.219	S	C	.	.	S	Bend	trans	-62.4	-33.3	173.9	-56.5	175.9	0	0	0	111.2	E592 W609 E611	L561-E592 WeakPolarHBondContact CB-OE2 3.49Å; L561-E592 WeakPolarHBondContact CG-OE2 3.36Å; L561-E592 PolarHBondContact N-OE2 2.55Å; L561-W609 HydrophobicContact CD2-CB 4.24Å; L561-W609 HydrophobicContact CG-CB 3.92Å; L561-E611 HydrophobicContact CD1-CB 4.18Å
562	H	94.5	Very high	94	Very high	54 Å²	54	37.2 Å²	37.2	25%	0.25	20%	0.197	C	C	.	.	S	Bend	trans	-116.1	148.6	178.7	-56.8	81.5	0	0	0	111.6	S517 M560 R564 L588 E592	S517-H562 WeakPolarHBondContact CB-O 3.45Å; M560-H562 VanDerWaalsContact CB-O 3.3Å; M560-H562 WeakPolarHBondContact CB-O 3.46Å; M560-H562 PolarHBondContact O-N 3.11Å; H562-R564 HydrophobicContact CB-CG 4.14Å; H562-R564 PolarHBondContact ND1-NH2 2.81Å; H562-L588 HydrophobicContact CB-CD1 4.18Å; H562-E592 IonicContact CG-OE1 3.95Å; H562-E592 PolarHBondContact N-OE1 3.36Å; H562-E592 IonicContact ND1-OE1 2.79Å; H562-E592 PolarHBondContact ND1-OE1 3Å
563	R	97.3	Very high	93.8	Very high	140 Å²	140	38.6 Å²	38.6	53%	0.528	20%	0.197	S	C	.	.			trans	-69.4	135.7	161.4	-69.7	-177.4	-66.2	-101.5	0	108.2	V515 D583	V515-R563 HydrophobicContact CB-CB 4.32Å; V515-R563 HydrophobicContact CG1-CB 3.99Å; V515-R563 WeakPolarHBondContact O-CD 3.39Å; R563-D583 HydrophobicContact CB-CB 4.47Å; R563-D583 PolarHBondContact NE-O 2.93Å; R563-D583 VanDerWaalsContact O-CA 3.22Å; R563-D583 WeakPolarHBondContact O-CA 3.28Å; R563-D583 VanDerWaalsContact O-CB 3.23Å; R563-D583 WeakPolarHBondContact O-CB 3.3Å
564	R	97.8	Very high	93.5	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.202	C	C	.	.			trans	-147	123.8	-179.2	-57.1	-175.4	-175.4	-101.5	-0.7	112.6	G509 F516 M560 H562 H567 V578 G580 Y582 L588 S590 E592	G509-R564 PolarHBondContact N-O 3.42Å; F516-R564 PolarHBondContact O-N 3.15Å; M560-R564 HydrophobicContact CE-CB 4.04Å; M560-R564 HydrophobicContact CE-CG 4.31Å; M560-R564 HydrophobicContact SD-CG 4.49Å; H562-R564 HydrophobicContact CB-CG 4.14Å; H562-R564 PolarHBondContact ND1-NH2 2.81Å; R564-H567 HydrophobicContact CB-CB 4.09Å; R564-H567 VanDerWaalsContact CB-ND1 3.34Å; R564-H567 WeakPolarHBondContact CB-ND1 3.47Å; R564-H567 PolarHBondContact O-CE1 2.96Å; R564-H567 PolarHBondContact O-ND1 2.95Å; R564-V578 VanDerWaalsContact CD-CG1 3.49Å; R564-G580 WeakPolarHBondContact CD-O 3.29Å; R564-G580 PolarHBondContact NH1-O 3.25Å; R564-Y582 WeakPolarHBondContact CA-O 3.45Å; R564-L588 HydrophobicContact CG-CD1 3.86Å; R564-S590 PolarHBondContact NH1-O 2.88Å; R564-S590 PolarHBondContact NH1-OG 2.81Å; R564-S590 PolarHBondContact NH2-O 2.94Å; R564-S590 PolarHBondContact NH2-OG 2.98Å; R564-E592 IonicContact CZ-OE1 2.88Å; R564-E592 IonicContact NE-OE1 3.01Å; R564-E592 PolarHBondContact NE-OE1 2.36Å; R564-E592 IonicContact NH2-OE1 3.13Å; R564-E592 PolarHBondContact NH2-OE1 3.37Å
565	C	95.9	Very high	93.3	Very high	4 Å²	4	41.8 Å²	41.8	3%	0.027	21%	0.209	C	C	.	.	B	Isolated β-bridge	trans	-117.8	160.6	156	72.9	0	0	0	0	110.9	A494 H510 V515 H567 G581 Y582	A494-C565 HydrophobicContact CB-CB 4.32Å; A494-C565 CarbonylContact O-C 3.54Å; A494-C565 WeakPolarHBondContact O-CA 3.44Å; H510-C565 HydrophobicContact CB-CB 4.26Å; V515-C565 HydrophobicContact CG1-CB 4.02Å; C565-H567 PolarHBondContact O-N 3.05Å; C565-H567 VanDerWaalsContact O-N 3.15Å; C565-G581 CarbonylContact O-C 3.57Å; C565-G581 VanDerWaalsContact O-CA 3.24Å; C565-G581 WeakPolarHBondContact O-CA 3.48Å; C565-Y582 PolarHBondContact N-O 3.21Å; C565-Y582 PolarHBondContact O-N 2.72Å
566	R	95.2	Very high	93.4	Very high	74 Å²	74	40.3 Å²	40.3	28%	0.279	20%	0.203	S	C	.	.	S	Bend	trans	54.8	31	-176.9	-50.7	171.6	-169.5	-166.5	3.4	111.9	A494 G581 S620 R621 W798	A494-R566 HydrophobicContact CB-CG 3.68Å; A494-R566 PolarHBondContact O-N 3.19Å; R566-G581 WeakPolarHBondContact O-CA 3.47Å; R566-S620 WeakPolarHBondContact CB-OG 3.5Å; R566-S620 CarbonylContact O-C 3.58Å; R566-R621 HydrophobicContact CB-CG 4.21Å; R566-R621 WeakPolarHBondContact O-CA 3.38Å; R566-R621 PolarHBondContact O-N 2.95Å; R566-W798 HydrophobicContact CG-CH2 4.09Å; R566-W798 HydrophobicContact CG-CZ3 3.94Å
567	H	96.7	Very high	93.5	Very high	15 Å²	15	37.2 Å²	37.2	7%	0.069	18%	0.181	C	C	.	.			trans	-84.5	161.5	172	57.2	-99	0	0	0	109.4	G496 I507 R564 C565 V578	G496-H567 PolarHBondContact N-NE2 2.82Å; I507-H567 PolarHBondContact O-CE1 2.88Å; I507-H567 PolarHBondContact O-NE2 2.82Å; R564-H567 HydrophobicContact CB-CB 4.09Å; R564-H567 VanDerWaalsContact CB-ND1 3.34Å; R564-H567 WeakPolarHBondContact CB-ND1 3.47Å; R564-H567 PolarHBondContact O-CE1 2.96Å; R564-H567 PolarHBondContact O-ND1 2.95Å; C565-H567 PolarHBondContact O-N 3.05Å; C565-H567 VanDerWaalsContact O-N 3.15Å; H567-V578 HydrophobicContact CB-CG1 3.93Å
568	G	95.2	Very high	93.7	Very high	4 Å²	4	36.9 Å²	36.9	4%	0.041	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	141.2	163.5	0	0	0	0	0	109.9	V578 A579 V622 L624	G568-V578 WeakPolarHBondContact O-CA 3.33Å; G568-A579 PolarHBondContact N-O 3.4Å; G568-A579 PolarHBondContact O-N 3.25Å; G568-V622 VanDerWaalsContact CA-O 3.22Å; G568-V622 WeakPolarHBondContact CA-O 3.15Å; G568-V622 PolarHBondContact N-O 3.18Å; G568-L624 WeakPolarHBondContact O-CD1 3.24Å
569	S	96.3	Very high	93.9	Very high	27 Å²	27	36.8 Å²	36.8	19%	0.189	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	135.8	178.8	61.8	0	0	0	0	110.5	G496 I577	G496-S569 WeakPolarHBondContact CA-OG 3.31Å; S569-I577 CarbonylContact C-O 3.53Å; S569-I577 WeakPolarHBondContact CA-O 3.38Å
570	T	94.9	Very high	94	Very high	29 Å²	29	34.7 Å²	34.7	18%	0.178	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	161.8	176	-165.5	0	0	0	0	112.3	I576 I577 L624 V626 L631	T570-I576 WeakPolarHBondContact O-CA 3.43Å; T570-I577 PolarHBondContact N-O 2.75Å; T570-I577 PolarHBondContact O-N 2.84Å; T570-L624 HydrophobicContact CG2-CB 3.76Å; T570-L624 HydrophobicContact CG2-CD1 4Å; T570-V626 HydrophobicContact CG2-CG2 3.72Å; T570-L631 HydrophobicContact CG2-CD1 3.5Å
571	A	91.9	Very high	94	Very high	29 Å²	29	34.3 Å²	34.3	24%	0.24	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	132.8	171.3	0	0	0	0	0	110.2	V498 L500 R575	V498-A571 HydrophobicContact CG1-CB 3.76Å; L500-A571 HydrophobicContact CD1-CB 4.34Å; A571-R575 CarbonylContact C-O 3.58Å; A571-R575 WeakPolarHBondContact CA-O 3.38Å
572	F	90.2	Very high	94.1	Very high	4 Å²	4	33.2 Å²	33.2	2%	0.018	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	121.1	175.3	-172.6	-139.7	0	0	0	110	D574 R575 I577 V626 L631 F781 W784	F572-D574 PolarHBondContact O-N 3.06Å; F572-R575 PolarHBondContact N-O 2.74Å; F572-R575 WeakPolarHBondContact O-CB 3.32Å; F572-R575 PolarHBondContact O-N 3.35Å; F572-I577 HydrophobicContact CB-CG1 3.88Å; F572-I577 HydrophobicContact CD1-CG1 4.4Å; F572-V626 HydrophobicContact CB-CG2 3.98Å; F572-V626 HydrophobicContact CD2-CB 4.39Å; F572-V626 HydrophobicContact CD2-CG1 3.51Å; F572-V626 HydrophobicContact CD2-CG2 3.91Å; F572-V626 HydrophobicContact CE2-CG1 3.92Å; F572-V626 HydrophobicContact CG-CG1 4.49Å; F572-V626 HydrophobicContact CG-CG2 4.11Å; F572-L631 HydrophobicContact CD1-CB 4.34Å; F572-L631 HydrophobicContact CE1-CB 4.33Å; F572-F781 AromaticContact CD1-CE1 3.82Å; F572-F781 HydrophobicContact CD1-CE1 3.82Å; F572-F781 HydrophobicContact CD1-CE2 4.39Å; F572-F781 AromaticContact CD1-CZ 3.51Å; F572-F781 HydrophobicContact CD1-CZ 3.51Å; F572-F781 HydrophobicContact CE1-CD1 4.41Å; F572-F781 AromaticContact CE1-CE1 3.45Å; F572-F781 HydrophobicContact CE1-CE1 3.45Å; F572-F781 VanDerWaalsContact CE1-CE1 3.45Å; F572-F781 AromaticContact CE1-CZ 3.68Å; F572-F781 HydrophobicContact CE1-CZ 3.68Å; F572-F781 HydrophobicContact CG-CZ 4.44Å; F572-F781 HydrophobicContact CZ-CE1 4.34Å; F572-W784 HydrophobicContact CE1-CE3 4.41Å; F572-W784 HydrophobicContact CE1-CH2 4.08Å; F572-W784 AromaticContact CE1-CZ3 3.7Å; F572-W784 HydrophobicContact CE1-CZ3 3.7Å; F572-W784 AromaticContact CZ-CH2 3.74Å; F572-W784 HydrophobicContact CZ-CH2 3.74Å; F572-W784 AromaticContact CZ-CZ3 3.63Å; F572-W784 HydrophobicContact CZ-CZ3 3.63Å
573	R	82.8	Confident	94.1	Very high	101 Å²	101	32 Å²	32	38%	0.381	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.9	56	176.4	-63	180	169.6	-147.6	-7.8	113.6	D357 R575 F781	D357-R573 IonicContact OD1-CZ 3.92Å; D357-R573 IonicContact OD1-NE 3.84Å; D357-R573 PolarHBondContact OD1-NE 2.82Å; D357-R573 IonicContact OD1-NH2 3.81Å; D357-R573 PolarHBondContact OD1-NH2 3.45Å; D357-R573 VanDerWaalsContact OD1-NH2 3.13Å; D357-R573 IonicContact OD2-CZ 3.48Å; D357-R573 IonicContact OD2-NH2 2.8Å; D357-R573 PolarHBondContact OD2-NH2 2.87Å; R573-R575 PolarHBondContact O-N 2.73Å; R573-R575 VanDerWaalsContact O-N 3.12Å; R573-R575 PolarHBondContact O-NH1 3.3Å; R573-F781 HydrophobicContact CB-CZ 4.39Å
574	D	84.2	Confident	93.9	Very high	97 Å²	97	27.4 Å²	27.4	52%	0.519	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.1	19.3	-177.4	-52.8	-31.2	0	0	0	115.6	F572	F572-D574 PolarHBondContact O-N 3.06Å
575	R	90.3	Very high	93.7	Very high	45 Å²	45	31.6 Å²	31.6	17%	0.17	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	161.7	175.8	-54.5	-60.8	177.6	-83	27.1	110.3	A571 F572 R573 M593 F594 D595	A571-R575 CarbonylContact C-O 3.58Å; A571-R575 WeakPolarHBondContact CA-O 3.38Å; F572-R575 PolarHBondContact N-O 2.74Å; F572-R575 WeakPolarHBondContact O-CB 3.32Å; F572-R575 PolarHBondContact O-N 3.35Å; R573-R575 PolarHBondContact O-N 2.73Å; R573-R575 VanDerWaalsContact O-N 3.12Å; R573-R575 PolarHBondContact O-NH1 3.3Å; R575-M593 HydrophobicContact CB-CG 3.74Å; R575-M593 HydrophobicContact CB-SD 4.13Å; R575-M593 HydrophobicContact CG-CG 4.02Å; R575-M593 HydrophobicContact CG-SD 3.77Å; R575-F594 WeakPolarHBondContact CA-O 3.35Å; R575-F594 WeakPolarHBondContact CB-O 3.42Å; R575-F594 WeakPolarHBondContact CD-O 3.39Å; R575-D595 IonicContact CZ-OD1 2.8Å; R575-D595 IonicContact CZ-OD2 2.78Å; R575-D595 IonicContact NE-OD1 2.65Å; R575-D595 PolarHBondContact NE-OD1 2.85Å; R575-D595 IonicContact NE-OD2 2.73Å; R575-D595 PolarHBondContact NE-OD2 2.97Å; R575-D595 VanDerWaalsContact NH2-CG 3.35Å; R575-D595 IonicContact NH2-OD1 2.72Å; R575-D595 PolarHBondContact NH2-OD1 3.37Å; R575-D595 IonicContact NH2-OD2 3.18Å; R575-D595 PolarHBondContact NH2-OD2 2.79Å
576	I	93.9	Very high	93.6	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	127.8	167.4	-49.8	178.6	0	0	0	108.4	V498 L500 Y505 I507 T570 V578 M593 F594	V498-I576 HydrophobicContact CB-CD1 4.48Å; V498-I576 HydrophobicContact CB-CG2 4.27Å; V498-I576 HydrophobicContact CG1-CD1 4.4Å; V498-I576 HydrophobicContact CG1-CG1 4.23Å; V498-I576 HydrophobicContact CG1-CG2 4.18Å; V498-I576 HydrophobicContact CG2-CG2 4.07Å; L500-I576 HydrophobicContact CB-CG1 4.45Å; L500-I576 HydrophobicContact CD2-CD1 4.24Å; L500-I576 HydrophobicContact CD2-CG1 3.51Å; Y505-I576 HydrophobicContact CD1-CD1 4.03Å; Y505-I576 HydrophobicContact CD2-CD1 3.6Å; Y505-I576 HydrophobicContact CE2-CD1 4.2Å; Y505-I576 HydrophobicContact CG-CD1 3.49Å; Y505-I576 VanDerWaalsContact CG-CD1 3.49Å; I507-I576 HydrophobicContact CD1-CD1 4.42Å; I507-I576 HydrophobicContact CD1-CG2 3.72Å; T570-I576 WeakPolarHBondContact O-CA 3.43Å; I576-V578 HydrophobicContact CG2-CG2 4.43Å; I576-M593 CarbonylContact O-C 3.51Å; I576-M593 VanDerWaalsContact O-CA 3.31Å; I576-M593 WeakPolarHBondContact O-CA 3.32Å; I576-F594 HydrophobicContact CB-CB 4.06Å; I576-F594 HydrophobicContact CD1-CD1 3.94Å; I576-F594 HydrophobicContact CG1-CD1 4.19Å; I576-F594 PolarHBondContact N-O 3.28Å; I576-F594 VanDerWaalsContact N-O 3.13Å; I576-F594 PolarHBondContact O-N 3.45Å
577	I	95.7	Very high	93.7	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.005	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	132.8	173.4	-50.1	-60.2	0	0	0	109.2	S569 T570 F572 V591 M593 I612 L631 F781	S569-I577 CarbonylContact C-O 3.53Å; S569-I577 WeakPolarHBondContact CA-O 3.38Å; T570-I577 PolarHBondContact N-O 2.75Å; T570-I577 PolarHBondContact O-N 2.84Å; F572-I577 HydrophobicContact CB-CG1 3.88Å; F572-I577 HydrophobicContact CD1-CG1 4.4Å; I577-V591 HydrophobicContact CG2-CG1 3.56Å; I577-M593 HydrophobicContact CD1-CB 3.73Å; I577-M593 HydrophobicContact CD1-CG 3.68Å; I577-I612 HydrophobicContact CD1-CD1 4.11Å; I577-I612 HydrophobicContact CG2-CD1 4.27Å; I577-L631 HydrophobicContact CB-CD2 4.18Å; I577-L631 HydrophobicContact CG1-CD2 4.31Å; I577-L631 HydrophobicContact CG2-CD2 3.67Å; I577-F781 HydrophobicContact CD1-CE2 4.04Å
578	V	97.5	Very high	93.7	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	125.1	173.7	-178.9	0	0	0	0	109.2	I507 M560 R564 H567 G568 I576 V591 E592 W609	I507-V578 HydrophobicContact CG2-CG2 3.91Å; M560-V578 HydrophobicContact SD-CB 4.33Å; M560-V578 HydrophobicContact SD-CG1 3.96Å; M560-V578 HydrophobicContact SD-CG2 4.13Å; R564-V578 VanDerWaalsContact CD-CG1 3.49Å; H567-V578 HydrophobicContact CB-CG1 3.93Å; G568-V578 WeakPolarHBondContact O-CA 3.33Å; I576-V578 HydrophobicContact CG2-CG2 4.43Å; V578-V591 CarbonylContact O-C 3.58Å; V578-V591 WeakPolarHBondContact O-CA 3.48Å; V578-V591 WeakPolarHBondContact O-CG1 3.16Å; V578-E592 HydrophobicContact CB-CG 4.3Å; V578-E592 PolarHBondContact N-O 3.11Å; V578-E592 PolarHBondContact O-N 3.02Å; V578-W609 HydrophobicContact CB-CZ3 4.17Å; V578-W609 HydrophobicContact CG2-CH2 3.59Å; V578-W609 HydrophobicContact CG2-CZ3 3.65Å
579	A	97.2	Very high	93.7	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	135.8	-176.1	0	0	0	0	0	112	G568 V591 L615 V622 L624	G568-A579 PolarHBondContact N-O 3.4Å; G568-A579 PolarHBondContact O-N 3.25Å; A579-V591 HydrophobicContact CB-CG1 4.11Å; A579-V591 HydrophobicContact CB-CG2 3.94Å; A579-L615 HydrophobicContact CB-CD1 4.27Å; A579-V622 WeakPolarHBondContact O-CG1 3.19Å; A579-L624 HydrophobicContact CB-CD1 3.88Å; A579-L624 HydrophobicContact CB-CD2 3.93Å; A579-L624 HydrophobicContact CB-CG 4.31Å
580	G	96.5	Very high	93.8	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	21%	0.208	C	C	.	.			trans	61.4	-143.3	172.1	0	0	0	0	0	114.5	R564 L588 S590 R619	R564-G580 WeakPolarHBondContact CD-O 3.29Å; R564-G580 PolarHBondContact NH1-O 3.25Å; G580-L588 VanDerWaalsContact CA-O 3.25Å; G580-L588 WeakPolarHBondContact CA-O 3.15Å; G580-S590 PolarHBondContact N-O 2.99Å; G580-S590 VanDerWaalsContact N-O 3.09Å; G580-R619 CarbonylContact C-O 3.59Å; G580-R619 WeakPolarHBondContact CA-O 3.43Å
581	G	96.1	Very high	93.9	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	20%	0.2	C	C	.	.			trans	97.1	-160.4	-174.1	0	0	0	0	0	114	C565 R566 L588 R619	C565-G581 CarbonylContact O-C 3.57Å; C565-G581 VanDerWaalsContact O-CA 3.24Å; C565-G581 WeakPolarHBondContact O-CA 3.48Å; R566-G581 WeakPolarHBondContact O-CA 3.47Å; G581-L588 PolarHBondContact O-N 2.8Å; G581-R619 PolarHBondContact N-O 2.85Å
582	Y	95.9	Very high	94.1	Very high	73 Å²	73	34.3 Å²	34.3	29%	0.286	19%	0.188	S	C	.	.	B	Isolated β-bridge	trans	-133	134.8	177.8	-178.1	-103.7	0	0	0	109.3	R564 C565 G584 A585 S586 F587	R564-Y582 WeakPolarHBondContact CA-O 3.45Å; C565-Y582 PolarHBondContact N-O 3.21Å; C565-Y582 PolarHBondContact O-N 2.72Å; Y582-G584 VanDerWaalsContact CE1-C 3.4Å; Y582-G584 PolarHBondContact OH-O 3.41Å; Y582-A585 PolarHBondContact OH-N 3.47Å; Y582-S586 WeakPolarHBondContact CA-O 3.45Å; Y582-S586 WeakPolarHBondContact CD2-O 3.16Å; Y582-F587 AromaticContact CD2-CD1 3.65Å; Y582-F587 HydrophobicContact CD2-CD1 3.65Å; Y582-F587 AromaticContact CD2-CE1 3.63Å; Y582-F587 HydrophobicContact CD2-CE1 3.63Å; Y582-F587 HydrophobicContact CD2-CG 4.28Å; Y582-F587 HydrophobicContact CD2-CZ 4.2Å; Y582-F587 HydrophobicContact CE2-CD1 4.49Å; Y582-F587 HydrophobicContact CE2-CE1 4.24Å; Y582-F587 HydrophobicContact CE2-CZ 4.37Å; Y582-F587 HydrophobicContact CG-CD1 4.4Å; Y582-F587 HydrophobicContact CG-CE1 4.33Å
583	D	95.7	Very high	94.3	Very high	30 Å²	30	34.4 Å²	34.4	16%	0.16	19%	0.188	C	C	.	.			trans	-98.5	-5.5	-172.4	66.7	-0.4	0	0	0	115.3	R563 A585 S586 L588	R563-D583 HydrophobicContact CB-CB 4.47Å; R563-D583 PolarHBondContact NE-O 2.93Å; R563-D583 VanDerWaalsContact O-CA 3.22Å; R563-D583 WeakPolarHBondContact O-CA 3.28Å; R563-D583 VanDerWaalsContact O-CB 3.23Å; R563-D583 WeakPolarHBondContact O-CB 3.3Å; D583-A585 WeakPolarHBondContact OD1-CA 3.34Å; D583-A585 PolarHBondContact OD1-N 2.9Å; D583-S586 PolarHBondContact N-O 2.84Å; D583-S586 PolarHBondContact OD1-N 3.01Å; D583-S586 PolarHBondContact OD2-OG 3.33Å; D583-S586 VanDerWaalsContact OD2-OG 3.12Å; D583-L588 HydrophobicContact CB-CD1 4.21Å; D583-L588 HydrophobicContact CB-CD2 4.26Å; D583-L588 HydrophobicContact CB-CG 4.41Å
584	G	91.7	Very high	94.9	Very high	43 Å²	43	29.7 Å²	29.7	44%	0.443	17%	0.171	S	C	.	.	S	Bend	trans	115.9	-21.2	-170.5	0	0	0	0	0	113.8	Y582	Y582-G584 VanDerWaalsContact CE1-C 3.4Å; Y582-G584 PolarHBondContact OH-O 3.41Å
585	A	93.4	Very high	95.2	Very high	87 Å²	87	25.4 Å²	25.4	72%	0.719	15%	0.148	S	C	*	.	S	Bend	trans	-134.2	-29.9	-177	0	0	0	0	0	114.5	Y582 D583	Y582-A585 PolarHBondContact OH-N 3.47Å; D583-A585 WeakPolarHBondContact OD1-CA 3.34Å; D583-A585 PolarHBondContact OD1-N 2.9Å
586	S	95.3	Very high	95	Very high	52 Å²	52	24.3 Å²	24.3	36%	0.364	15%	0.147	S	C	.	.	S	Bend	trans	-140.8	152.6	-172.7	74.1	0	0	0	0	112.9	Y582 D583	Y582-S586 WeakPolarHBondContact CA-O 3.45Å; Y582-S586 WeakPolarHBondContact CD2-O 3.16Å; D583-S586 PolarHBondContact N-O 2.84Å; D583-S586 PolarHBondContact OD1-N 3.01Å; D583-S586 PolarHBondContact OD2-OG 3.33Å; D583-S586 VanDerWaalsContact OD2-OG 3.12Å
587	F	95.9	Very high	94.5	Very high	74 Å²	74	29.3 Å²	29.3	33%	0.325	18%	0.177	S	C	.	.	B	Isolated β-bridge	trans	-81.8	130.3	168.7	-59.7	-68.2	0	0	0	109.1	Y582 P618 Y637	Y582-F587 AromaticContact CD2-CD1 3.65Å; Y582-F587 HydrophobicContact CD2-CD1 3.65Å; Y582-F587 AromaticContact CD2-CE1 3.63Å; Y582-F587 HydrophobicContact CD2-CE1 3.63Å; Y582-F587 HydrophobicContact CD2-CG 4.28Å; Y582-F587 HydrophobicContact CD2-CZ 4.2Å; Y582-F587 HydrophobicContact CE2-CD1 4.49Å; Y582-F587 HydrophobicContact CE2-CE1 4.24Å; Y582-F587 HydrophobicContact CE2-CZ 4.37Å; Y582-F587 HydrophobicContact CG-CD1 4.4Å; Y582-F587 HydrophobicContact CG-CE1 4.33Å; F587-P618 HydrophobicContact CB-CB 3.85Å; F587-Y637 HydrophobicContact CE1-CD1 4.14Å; F587-Y637 HydrophobicContact CE1-CE1 4.31Å; F587-Y637 HydrophobicContact CE2-CE1 4.26Å; F587-Y637 HydrophobicContact CZ-CD1 4.14Å; F587-Y637 AromaticContact CZ-CE1 3.84Å; F587-Y637 HydrophobicContact CZ-CE1 3.84Å
588	L	96.7	Very high	93.7	Very high	12 Å²	12	30.4 Å²	30.4	6%	0.063	18%	0.184	C	C	.	.			trans	-94.5	140.8	-171.5	-58.9	-180	0	0	0	112	H562 R564 G580 G581 D583 P618 R619	H562-L588 HydrophobicContact CB-CD1 4.18Å; R564-L588 HydrophobicContact CG-CD1 3.86Å; G580-L588 VanDerWaalsContact CA-O 3.25Å; G580-L588 WeakPolarHBondContact CA-O 3.15Å; G581-L588 PolarHBondContact O-N 2.8Å; D583-L588 HydrophobicContact CB-CD1 4.21Å; D583-L588 HydrophobicContact CB-CD2 4.26Å; D583-L588 HydrophobicContact CB-CG 4.41Å; L588-P618 WeakPolarHBondContact O-CA 3.46Å; L588-R619 PolarHBondContact O-N 2.77Å
589	Q	96.5	Very high	92.2	Very high	93 Å²	93	32.4 Å²	32.4	44%	0.435	21%	0.205	S	C	.	.			trans	-101.2	-15.4	163	68.9	-177.1	32	0	0	112.5	S614 L615	Q589-S614 WeakPolarHBondContact O-CA 3.25Å; Q589-S614 WeakPolarHBondContact O-CB 3.32Å; Q589-L615 HydrophobicContact CB-CB 4.46Å; Q589-L615 PolarHBondContact O-N 2.73Å
590	S	96.9	Very high	90.7	Very high	9 Å²	9	36.5 Å²	36.5	6%	0.063	23%	0.232	C	C	.	.			trans	-66.2	147.8	-175.7	57.8	0	0	0	0	111.8	R564 G580 E611	R564-S590 PolarHBondContact NH1-O 2.88Å; R564-S590 PolarHBondContact NH1-OG 2.81Å; R564-S590 PolarHBondContact NH2-O 2.94Å; R564-S590 PolarHBondContact NH2-OG 2.98Å; G580-S590 PolarHBondContact N-O 2.99Å; G580-S590 VanDerWaalsContact N-O 3.09Å; S590-E611 WeakPolarHBondContact CB-OE1 3.39Å
591	V	97.3	Very high	89.3	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	131.4	-180	-174.3	0	0	0	0	107.8	I577 V578 A579 I612 L615 W786	I577-V591 HydrophobicContact CG2-CG1 3.56Å; V578-V591 CarbonylContact O-C 3.58Å; V578-V591 WeakPolarHBondContact O-CA 3.48Å; V578-V591 WeakPolarHBondContact O-CG1 3.16Å; A579-V591 HydrophobicContact CB-CG1 4.11Å; A579-V591 HydrophobicContact CB-CG2 3.94Å; V591-I612 HydrophobicContact CB-CG1 3.9Å; V591-I612 HydrophobicContact CG1-CD1 3.77Å; V591-I612 HydrophobicContact CG1-CG1 3.64Å; V591-I612 PolarHBondContact O-N 2.9Å; V591-L615 HydrophobicContact CG2-CD1 4.46Å; V591-L615 HydrophobicContact CG2-CG 3.91Å; V591-W786 HydrophobicContact CG1-CZ2 4.4Å; V591-W786 HydrophobicContact CG2-CZ2 4.06Å
592	E	96.6	Very high	88.1	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	148.3	-179.3	58.5	-172.1	113.2	0	0	112.2	M560 L561 H562 R564 V578 W609 T610	M560-E592 WeakPolarHBondContact CB-OE2 3.12Å; L561-E592 WeakPolarHBondContact CB-OE2 3.49Å; L561-E592 WeakPolarHBondContact CG-OE2 3.36Å; L561-E592 PolarHBondContact N-OE2 2.55Å; H562-E592 IonicContact CG-OE1 3.95Å; H562-E592 PolarHBondContact N-OE1 3.36Å; H562-E592 IonicContact ND1-OE1 2.79Å; H562-E592 PolarHBondContact ND1-OE1 3Å; R564-E592 IonicContact CZ-OE1 2.88Å; R564-E592 IonicContact NE-OE1 3.01Å; R564-E592 PolarHBondContact NE-OE1 2.36Å; R564-E592 IonicContact NH2-OE1 3.13Å; R564-E592 PolarHBondContact NH2-OE1 3.37Å; V578-E592 HydrophobicContact CB-CG 4.3Å; V578-E592 PolarHBondContact N-O 3.11Å; V578-E592 PolarHBondContact O-N 3.02Å; E592-W609 HydrophobicContact CB-CE3 4.14Å; E592-W609 HydrophobicContact CG-CE3 3.73Å; E592-W609 HydrophobicContact CG-CZ3 3.98Å; E592-T610 WeakPolarHBondContact CA-O 3.3Å
593	M	95.3	Very high	87	Confident	5 Å²	5	52.9 Å²	52.9	3%	0.025	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	128.5	-175.3	176.2	-170.2	73.3	0	0	109.7	R575 I576 I577 W609 T610 I612 P780 F781	R575-M593 HydrophobicContact CB-CG 3.74Å; R575-M593 HydrophobicContact CB-SD 4.13Å; R575-M593 HydrophobicContact CG-CG 4.02Å; R575-M593 HydrophobicContact CG-SD 3.77Å; I576-M593 CarbonylContact O-C 3.51Å; I576-M593 VanDerWaalsContact O-CA 3.31Å; I576-M593 WeakPolarHBondContact O-CA 3.32Å; I577-M593 HydrophobicContact CD1-CB 3.73Å; I577-M593 HydrophobicContact CD1-CG 3.68Å; M593-W609 CarbonylContact O-C 3.29Å; M593-W609 WeakPolarHBondContact O-CA 3.4Å; M593-T610 PolarHBondContact N-O 3.41Å; M593-T610 PolarHBondContact O-N 2.85Å; M593-I612 HydrophobicContact CB-CG2 4.03Å; M593-P780 HydrophobicContact SD-CG 4.22Å; M593-F781 HydrophobicContact SD-CD2 3.6Å; M593-F781 VanDerWaalsContact SD-CD2 3.6Å; M593-F781 HydrophobicContact SD-CE2 3.58Å; M593-F781 VanDerWaalsContact SD-CE2 3.58Å
594	F	94.3	Very high	85.8	Confident	2 Å²	2	53.9 Å²	53.9	1%	0.009	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	128.3	168.5	-177.3	-117	0	0	0	110.9	Y505 V557 A558 R575 I576 P596 Q608 W609	Y505-F594 HydrophobicContact CD1-CE1 4.27Å; Y505-F594 AromaticContact CE1-CE1 3.73Å; Y505-F594 HydrophobicContact CE1-CE1 3.73Å; Y505-F594 HydrophobicContact CE1-CZ 4.36Å; V557-F594 HydrophobicContact CB-CZ 4.42Å; V557-F594 HydrophobicContact CG2-CZ 4.26Å; A558-F594 HydrophobicContact CB-CE2 4.29Å; R575-F594 WeakPolarHBondContact CA-O 3.35Å; R575-F594 WeakPolarHBondContact CB-O 3.42Å; R575-F594 WeakPolarHBondContact CD-O 3.39Å; I576-F594 HydrophobicContact CB-CB 4.06Å; I576-F594 HydrophobicContact CD1-CD1 3.94Å; I576-F594 HydrophobicContact CG1-CD1 4.19Å; I576-F594 PolarHBondContact N-O 3.28Å; I576-F594 VanDerWaalsContact N-O 3.13Å; I576-F594 PolarHBondContact O-N 3.45Å; F594-P596 HydrophobicContact CD1-CB 4.35Å; F594-P596 HydrophobicContact CE1-CB 3.83Å; F594-Q608 WeakPolarHBondContact CA-O 3.38Å; F594-W609 HydrophobicContact CB-CD2 3.84Å; F594-W609 HydrophobicContact CB-CE3 3.84Å; F594-W609 HydrophobicContact CB-CH2 3.63Å; F594-W609 HydrophobicContact CB-CZ2 3.6Å; F594-W609 HydrophobicContact CB-CZ3 3.75Å; F594-W609 AromaticContact CD2-CD1 3.77Å; F594-W609 HydrophobicContact CD2-CD2 4.02Å; F594-W609 AromaticContact CD2-CE2 3.53Å; F594-W609 HydrophobicContact CD2-CG 4.15Å; F594-W609 AromaticContact CD2-CZ2 3.96Å; F594-W609 HydrophobicContact CD2-CZ2 3.96Å; F594-W609 AromaticContact CD2-NE1 3.36Å; F594-W609 AromaticContact CE2-NE1 3.88Å; F594-W609 HydrophobicContact CG-CD2 4.38Å; F594-W609 AromaticContact CG-CE2 3.9Å; F594-W609 HydrophobicContact CG-CH2 4.4Å; F594-W609 AromaticContact CG-CZ2 3.91Å; F594-W609 HydrophobicContact CG-CZ2 3.91Å
595	D	91.1	Very high	85.2	Confident	7 Å²	7	54.3 Å²	54.3	4%	0.037	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	107	169.4	-168.7	-23.3	0	0	0	110.7	R575 T597 T598 G607 Q608	R575-D595 IonicContact CZ-OD1 2.8Å; R575-D595 IonicContact CZ-OD2 2.78Å; R575-D595 IonicContact NE-OD1 2.65Å; R575-D595 PolarHBondContact NE-OD1 2.85Å; R575-D595 IonicContact NE-OD2 2.73Å; R575-D595 PolarHBondContact NE-OD2 2.97Å; R575-D595 VanDerWaalsContact NH2-CG 3.35Å; R575-D595 IonicContact NH2-OD1 2.72Å; R575-D595 PolarHBondContact NH2-OD1 3.37Å; R575-D595 IonicContact NH2-OD2 3.18Å; R575-D595 PolarHBondContact NH2-OD2 2.79Å; D595-T597 PolarHBondContact O-N 2.51Å; D595-T597 PolarHBondContact OD1-N 2.79Å; D595-T597 PolarHBondContact OD1-OG1 3.28Å; D595-T598 HydrophobicContact CB-CG2 3.83Å; D595-T598 VanDerWaalsContact CG-CG2 3.48Å; D595-T598 PolarHBondContact O-N 3.37Å; D595-T598 PolarHBondContact O-OG1 3.28Å; D595-G607 WeakPolarHBondContact O-CA 3.48Å; D595-Q608 PolarHBondContact N-O 2.92Å; D595-Q608 PolarHBondContact O-N 2.75Å
596	P	86	Confident	84.6	Confident	23 Å²	23	54.9 Å²	54.9	15%	0.149	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-12.6	-179.2	31.6	-36.6	0	0	0	113.8	L500 F594	L500-P596 HydrophobicContact CD2-CG 3.98Å; F594-P596 HydrophobicContact CD1-CB 4.35Å; F594-P596 HydrophobicContact CE1-CB 3.83Å
597	T	82.5	Confident	84.1	Confident	105 Å²	105	52.4 Å²	52.4	64%	0.644	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.2	-7.3	179	74	0	0	0	0	113	D595	D595-T597 PolarHBondContact O-N 2.51Å; D595-T597 PolarHBondContact OD1-N 2.79Å; D595-T597 PolarHBondContact OD1-OG1 3.28Å
598	T	78.5	Confident	83.8	Confident	23 Å²	23	53.6 Å²	53.6	14%	0.141	29%	0.291	C	S	.	.	S	Bend	trans	-96.8	174.5	-179.1	61.3	0	0	0	0	112.7	D595 G607 Q608	D595-T598 HydrophobicContact CB-CG2 3.83Å; D595-T598 VanDerWaalsContact CG-CG2 3.48Å; D595-T598 PolarHBondContact O-N 3.37Å; D595-T598 PolarHBondContact O-OG1 3.28Å; T598-G607 WeakPolarHBondContact O-CA 3.45Å; T598-G607 PolarHBondContact O-N 3.28Å; T598-Q608 WeakPolarHBondContact OG1-CB 3.38Å; T598-Q608 PolarHBondContact OG1-N 2.76Å
599	G	66.7	Low	83.7	Confident	43 Å²	43	53.6 Å²	53.6	44%	0.443	29%	0.29	S	S	.	.			trans	94.4	-168.1	177.1	0	0	0	0	0	114.1
600	P	66.3	Low	83.5	Confident	86 Å²	86	51.5 Å²	51.5	56%	0.558	28%	0.284	S	S	*	.			cis	-64.8	156.6	7.7	26.7	-35.5	0	0	0	114.5	L605	P600-L605 CarbonylContact C-O 3.58Å; P600-L605 WeakPolarHBondContact CA-O 3.39Å
601	D	67.4	Low	83.3	Confident	35 Å²	35	55.4 Å²	55.4	19%	0.187	30%	0.301	C	S	.	.			trans	-67.3	-178.4	171.7	85.1	-18.1	0	0	0	111.9	A558 N603 G604 L605	A558-D601 HydrophobicContact CB-CB 3.87Å; D601-N603 PolarHBondContact O-N 3.08Å; D601-N603 VanDerWaalsContact OD1-CA 3.31Å; D601-N603 WeakPolarHBondContact OD1-CA 3.5Å; D601-N603 WeakPolarHBondContact OD1-CB 3.37Å; D601-N603 PolarHBondContact OD1-N 3.25Å; D601-N603 PolarHBondContact OD2-ND2 3.13Å; D601-G604 PolarHBondContact O-N 2.86Å; D601-G604 PolarHBondContact OD1-N 2.82Å; D601-G604 VanDerWaalsContact OD1-N 3.07Å; D601-L605 PolarHBondContact N-O 3.12Å; D601-L605 WeakPolarHBondContact OD1-CB 3.27Å; D601-L605 PolarHBondContact OD1-N 2.79Å
602	R	70	Confident	83.2	Confident	254 Å²	254	56 Å²	56	96%	0.958	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-14.3	178.7	-64.8	-175	-179.7	-173	1	114.4
603	N	72.2	Confident	83	Confident	127 Å²	127	58 Å²	58	68%	0.679	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.5	1.7	-179.7	-51.3	-60.2	0	0	0	112.7	D601 L605	D601-N603 PolarHBondContact O-N 3.08Å; D601-N603 VanDerWaalsContact OD1-CA 3.31Å; D601-N603 WeakPolarHBondContact OD1-CA 3.5Å; D601-N603 WeakPolarHBondContact OD1-CB 3.37Å; D601-N603 PolarHBondContact OD1-N 3.25Å; D601-N603 PolarHBondContact OD2-ND2 3.13Å; N603-L605 HydrophobicContact CB-CG 4.42Å
604	G	72.1	Confident	83	Confident	51 Å²	51	59.9 Å²	59.9	53%	0.526	33%	0.332	S	S	.	.	S	Bend	trans	85.2	10.2	-176.6	0	0	0	0	0	114.8	D601	D601-G604 PolarHBondContact O-N 2.86Å; D601-G604 PolarHBondContact OD1-N 2.82Å; D601-G604 VanDerWaalsContact OD1-N 3.07Å
605	L	78.3	Confident	83	Confident	52 Å²	52	60 Å²	60	27%	0.272	33%	0.333	S	S	.	.			trans	-93.2	146	-178.8	-59.8	175.8	0	0	0	111.4	A558 P600 D601 N603	A558-L605 HydrophobicContact CB-CB 4.41Å; P600-L605 CarbonylContact C-O 3.58Å; P600-L605 WeakPolarHBondContact CA-O 3.39Å; D601-L605 PolarHBondContact N-O 3.12Å; D601-L605 WeakPolarHBondContact OD1-CB 3.27Å; D601-L605 PolarHBondContact OD1-N 2.79Å; N603-L605 HydrophobicContact CB-CG 4.42Å
606	H	80.6	Confident	83.1	Confident	100 Å²	100	63.9 Å²	63.9	46%	0.463	36%	0.361	S	S	.	.	S	Bend	trans	-70.6	147.3	-178.7	-70.9	-77	0	0	0	113.3	A558	A558-H606 PolarHBondContact N-O 3.35Å
607	G	84.8	Confident	83.5	Confident	0 Å²	0	65 Å²	65	0%	0	37%	0.367	C	S	.	.			trans	82	166.2	-178.8	0	0	0	0	0	114.4	A558 D595 T598	A558-G607 WeakPolarHBondContact CB-O 3.48Å; D595-G607 WeakPolarHBondContact O-CA 3.48Å; T598-G607 WeakPolarHBondContact O-CA 3.45Å; T598-G607 PolarHBondContact O-N 3.28Å
608	Q	90.1	Very high	84.1	Confident	98 Å²	98	62 Å²	62	46%	0.458	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	139.7	178.2	-171.4	179.2	-26.2	0	0	110.5	F594 D595 T598	F594-Q608 WeakPolarHBondContact CA-O 3.38Å; D595-Q608 PolarHBondContact N-O 2.92Å; D595-Q608 PolarHBondContact O-N 2.75Å; T598-Q608 WeakPolarHBondContact OG1-CB 3.38Å; T598-Q608 PolarHBondContact OG1-N 2.76Å
609	W	93.8	Very high	84.9	Confident	12 Å²	12	61 Å²	61	5%	0.045	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	136.4	171.3	-68.6	89.1	0	0	0	111.2	V519 A558 S559 M560 L561 V578 E592 M593 F594	V519-W609 HydrophobicContact CG2-CZ2 3.9Å; A558-W609 PolarHBondContact O-NE1 2.97Å; S559-W609 VanDerWaalsContact C-CD1 3.41Å; M560-W609 HydrophobicContact CB-CD2 4.43Å; M560-W609 HydrophobicContact CG-CD2 3.92Å; M560-W609 HydrophobicContact CG-CE3 4.06Å; M560-W609 HydrophobicContact CG-CH2 3.75Å; M560-W609 HydrophobicContact CG-CZ2 3.59Å; M560-W609 HydrophobicContact CG-CZ3 3.98Å; M560-W609 HydrophobicContact SD-CH2 4.25Å; L561-W609 HydrophobicContact CD2-CB 4.24Å; L561-W609 HydrophobicContact CG-CB 3.92Å; V578-W609 HydrophobicContact CB-CZ3 4.17Å; V578-W609 HydrophobicContact CG2-CH2 3.59Å; V578-W609 HydrophobicContact CG2-CZ3 3.65Å; E592-W609 HydrophobicContact CB-CE3 4.14Å; E592-W609 HydrophobicContact CG-CE3 3.73Å; E592-W609 HydrophobicContact CG-CZ3 3.98Å; M593-W609 CarbonylContact O-C 3.29Å; M593-W609 WeakPolarHBondContact O-CA 3.4Å; F594-W609 HydrophobicContact CB-CD2 3.84Å; F594-W609 HydrophobicContact CB-CE3 3.84Å; F594-W609 HydrophobicContact CB-CH2 3.63Å; F594-W609 HydrophobicContact CB-CZ2 3.6Å; F594-W609 HydrophobicContact CB-CZ3 3.75Å; F594-W609 AromaticContact CD2-CD1 3.77Å; F594-W609 HydrophobicContact CD2-CD2 4.02Å; F594-W609 AromaticContact CD2-CE2 3.53Å; F594-W609 HydrophobicContact CD2-CG 4.15Å; F594-W609 AromaticContact CD2-CZ2 3.96Å; F594-W609 HydrophobicContact CD2-CZ2 3.96Å; F594-W609 AromaticContact CD2-NE1 3.36Å; F594-W609 AromaticContact CE2-NE1 3.88Å; F594-W609 HydrophobicContact CG-CD2 4.38Å; F594-W609 AromaticContact CG-CE2 3.9Å; F594-W609 HydrophobicContact CG-CH2 4.4Å; F594-W609 AromaticContact CG-CZ2 3.91Å; F594-W609 HydrophobicContact CG-CZ2 3.91Å
610	T	93.1	Very high	86.2	Confident	50 Å²	50	59 Å²	59	31%	0.307	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	133.8	177.6	-56.5	0	0	0	0	109.6	E592 M593	E592-T610 WeakPolarHBondContact CA-O 3.3Å; M593-T610 PolarHBondContact N-O 3.41Å; M593-T610 PolarHBondContact O-N 2.85Å
611	E	93.3	Very high	87.5	Confident	91 Å²	91	56.6 Å²	56.6	43%	0.425	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	139.7	174.9	-169	166.8	-160.7	0	0	111.1	L561 S590	L561-E611 HydrophobicContact CD1-CB 4.18Å; S590-E611 WeakPolarHBondContact CB-OE1 3.39Å
612	I	93.4	Very high	88.8	Confident	11 Å²	11	55.2 Å²	55.2	6%	0.056	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	178	175.5	67.3	172	0	0	0	109.8	I577 V591 M593 S614 F649 F781	I577-I612 HydrophobicContact CD1-CD1 4.11Å; I577-I612 HydrophobicContact CG2-CD1 4.27Å; V591-I612 HydrophobicContact CB-CG1 3.9Å; V591-I612 HydrophobicContact CG1-CD1 3.77Å; V591-I612 HydrophobicContact CG1-CG1 3.64Å; V591-I612 PolarHBondContact O-N 2.9Å; M593-I612 HydrophobicContact CB-CG2 4.03Å; I612-S614 PolarHBondContact O-N 2.82Å; I612-S614 VanDerWaalsContact O-N 3.15Å; I612-F649 HydrophobicContact CD1-CE1 4.08Å; I612-F649 HydrophobicContact CD1-CZ 4.11Å; I612-F781 HydrophobicContact CD1-CD2 4.46Å
613	S	92.9	Very high	89.9	Confident	43 Å²	43	43.6 Å²	43.6	30%	0.301	25%	0.254	S	S	.	.	P	Polyproline II helix	trans	-46.1	121.8	-178.6	-56.7	0	0	0	0	112.3	W784 W786	S613-W784 PolarHBondContact OG-O 2.83Å; S613-W786 PolarHBondContact O-NE1 2.84Å
614	S	94.9	Very high	91	Very high	45 Å²	45	38.3 Å²	38.3	32%	0.315	23%	0.225	S	C	.	.	P	Polyproline II helix	trans	-66.7	154.3	177.7	-69.1	0	0	0	0	112.4	Q589 I612	Q589-S614 WeakPolarHBondContact O-CA 3.25Å; Q589-S614 WeakPolarHBondContact O-CB 3.32Å; I612-S614 PolarHBondContact O-N 2.82Å; I612-S614 VanDerWaalsContact O-N 3.15Å
615	L	95.6	Very high	92	Very high	4 Å²	4	36 Å²	36	2%	0.021	20%	0.201	C	C	.	.	P	Polyproline II helix	trans	-59.6	156.1	166.3	-64.8	164.4	0	0	0	110.7	A579 Q589 V591 V617 R619 A633 W786	A579-L615 HydrophobicContact CB-CD1 4.27Å; Q589-L615 HydrophobicContact CB-CB 4.46Å; Q589-L615 PolarHBondContact O-N 2.73Å; V591-L615 HydrophobicContact CG2-CD1 4.46Å; V591-L615 HydrophobicContact CG2-CG 3.91Å; L615-V617 VanDerWaalsContact C-N 3.29Å; L615-V617 WeakPolarHBondContact CB-O 3.14Å; L615-V617 PolarHBondContact O-N 2.85Å; L615-R619 HydrophobicContact CD1-CB 4.12Å; L615-R619 HydrophobicContact CD1-CG 4.03Å; L615-A633 HydrophobicContact CD2-CB 3.59Å; L615-W786 HydrophobicContact CD2-CD2 3.8Å; L615-W786 HydrophobicContact CD2-CE3 3.87Å; L615-W786 HydrophobicContact CD2-CH2 3.85Å; L615-W786 HydrophobicContact CD2-CZ2 3.78Å; L615-W786 HydrophobicContact CD2-CZ3 3.89Å
616	S	93.6	Very high	92.6	Very high	89 Å²	89	33.8 Å²	33.8	62%	0.622	19%	0.19	S	C	*	.	S	Bend	trans	-73.3	-20.6	177.3	61.3	0	0	0	0	113.9	E647	S616-E647 VanDerWaalsContact CB-OE2 3.29Å; S616-E647 WeakPolarHBondContact CB-OE2 3.1Å; S616-E647 PolarHBondContact N-OE2 3.29Å; S616-E647 PolarHBondContact OG-OE1 2.98Å; S616-E647 PolarHBondContact OG-OE2 2.77Å
617	V	93	Very high	92.9	Very high	47 Å²	47	29 Å²	29	29%	0.285	17%	0.168	S	C	.	.	S	Bend	trans	-135.7	155.3	173.9	-63.8	0	0	0	0	110.7	L615 R619 L643	L615-V617 VanDerWaalsContact C-N 3.29Å; L615-V617 WeakPolarHBondContact CB-O 3.14Å; L615-V617 PolarHBondContact O-N 2.85Å; V617-R619 HydrophobicContact CG2-CG 4Å; V617-L643 HydrophobicContact CG2-CD1 4.1Å
618	P	95.7	Very high	92.5	Very high	40 Å²	40	29.9 Å²	29.9	26%	0.26	18%	0.175	S	C	.	.			trans	-57.5	139.9	166.1	-23.3	34.8	0	0	0	111.2	F587 L588 D638	F587-P618 HydrophobicContact CB-CB 3.85Å; L588-P618 WeakPolarHBondContact O-CA 3.46Å; P618-D638 WeakPolarHBondContact O-CA 3.38Å; P618-D638 WeakPolarHBondContact O-CB 3.4Å
619	R	95	Very high	91.9	Very high	3 Å²	3	25.3 Å²	25.3	1%	0.011	15%	0.154	C	C	.	.			trans	-141.6	106.5	176.2	-57	-172.4	175.4	-105.1	-3.9	112.5	G580 G581 L588 L615 V617 V622 G635 L643 T645 E647	G580-R619 CarbonylContact C-O 3.59Å; G580-R619 WeakPolarHBondContact CA-O 3.43Å; G581-R619 PolarHBondContact N-O 2.85Å; L588-R619 PolarHBondContact O-N 2.77Å; L615-R619 HydrophobicContact CD1-CB 4.12Å; L615-R619 HydrophobicContact CD1-CG 4.03Å; V617-R619 HydrophobicContact CG2-CG 4Å; R619-V622 HydrophobicContact CB-CB 3.82Å; R619-V622 HydrophobicContact CB-CG1 4.19Å; R619-V622 HydrophobicContact CB-CG2 4.1Å; R619-G635 PolarHBondContact NH1-O 3.2Å; R619-L643 HydrophobicContact CG-CD1 3.85Å; R619-T645 PolarHBondContact NH1-O 3.48Å; R619-T645 PolarHBondContact NH1-OG1 3.28Å; R619-T645 PolarHBondContact NH2-OG1 2.79Å; R619-E647 IonicContact CZ-OE1 3.9Å; R619-E647 IonicContact NE-OE1 2.64Å; R619-E647 PolarHBondContact NE-OE1 2.96Å; R619-E647 IonicContact NH2-OE1 3.88Å; R619-E647 PolarHBondContact NH2-OE1 3.01Å
620	S	94	Very high	91.6	Very high	1 Å²	1	25.2 Å²	25.2	1%	0.007	16%	0.155	C	C	.	.	B	Isolated β-bridge	trans	-93.7	154.7	162.9	-172.3	0	0	0	0	110.6	R566 V622 G636 Y637	R566-S620 WeakPolarHBondContact CB-OG 3.5Å; R566-S620 CarbonylContact O-C 3.58Å; S620-V622 PolarHBondContact O-N 2.88Å; S620-G636 CarbonylContact O-C 3.59Å; S620-G636 VanDerWaalsContact O-C 3.29Å; S620-G636 WeakPolarHBondContact O-CA 3.35Å; S620-Y637 PolarHBondContact N-O 3.28Å; S620-Y637 PolarHBondContact O-N 3.27Å
621	R	93.4	Very high	91.5	Very high	35 Å²	35	22.9 Å²	22.9	13%	0.132	14%	0.141	C	C	.	.	S	Bend	trans	61	21.1	-176.3	-41	177.5	-154	-173.3	5.8	113.7	R566 W798	R566-R621 HydrophobicContact CB-CG 4.21Å; R566-R621 WeakPolarHBondContact O-CA 3.38Å; R566-R621 PolarHBondContact O-N 2.95Å; R621-W798 HydrophobicContact CB-CB 3.78Å; R621-W798 HydrophobicContact CB-CD2 4.07Å; R621-W798 HydrophobicContact CB-CE3 4.33Å; R621-W798 HydrophobicContact CB-CG 3.84Å; R621-W798 HydrophobicContact CG-CB 4.31Å; R621-W798 HydrophobicContact CG-CD2 4.29Å; R621-W798 HydrophobicContact CG-CE3 4.03Å; R621-W798 HydrophobicContact CG-CG 4.44Å
622	V	94	Very high	91.6	Very high	6 Å²	6	19.3 Å²	19.3	4%	0.036	12%	0.124	C	C	.	.			trans	-74.2	136.6	-178.3	64.1	0	0	0	0	111	G568 A579 R619 S620 A633	G568-V622 VanDerWaalsContact CA-O 3.22Å; G568-V622 WeakPolarHBondContact CA-O 3.15Å; G568-V622 PolarHBondContact N-O 3.18Å; A579-V622 WeakPolarHBondContact O-CG1 3.19Å; R619-V622 HydrophobicContact CB-CB 3.82Å; R619-V622 HydrophobicContact CB-CG1 4.19Å; R619-V622 HydrophobicContact CB-CG2 4.1Å; S620-V622 PolarHBondContact O-N 2.88Å; V622-A633 HydrophobicContact CG2-CB 4.03Å
623	G	93.9	Very high	91.7	Very high	11 Å²	11	18.8 Å²	18.8	11%	0.113	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	144.1	168.2	0	0	0	0	0	111.2	I634	G623-I634 PolarHBondContact N-O 2.98Å; G623-I634 VanDerWaalsContact N-O 3.08Å; G623-I634 PolarHBondContact O-N 2.82Å
624	L	95	Very high	91.8	Very high	15 Å²	15	16.8 Å²	16.8	8%	0.079	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	136.6	172.2	-70.2	-174.7	0	0	0	110.8	G568 T570 A579 L631 Y632 A633	G568-L624 WeakPolarHBondContact O-CD1 3.24Å; T570-L624 HydrophobicContact CG2-CB 3.76Å; T570-L624 HydrophobicContact CG2-CD1 4Å; A579-L624 HydrophobicContact CB-CD1 3.88Å; A579-L624 HydrophobicContact CB-CD2 3.93Å; A579-L624 HydrophobicContact CB-CG 4.31Å; L624-L631 HydrophobicContact CB-CD1 4.19Å; L624-L631 HydrophobicContact CD1-CD1 4.31Å; L624-L631 HydrophobicContact CD2-CD1 4.18Å; L624-L631 HydrophobicContact CG-CD1 4.45Å; L624-Y632 WeakPolarHBondContact CA-O 3.34Å; L624-Y632 WeakPolarHBondContact CD2-O 3.21Å; L624-A633 HydrophobicContact CD2-CB 3.85Å
625	A	93.4	Very high	91.7	Very high	2 Å²	2	14.7 Å²	14.7	2%	0.017	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	141.7	174.3	0	0	0	0	0	110.5	I362 L631 Y632 I634 I801 V803	I362-A625 HydrophobicContact CB-CB 4.49Å; I362-A625 HydrophobicContact CD1-CB 3.9Å; I362-A625 HydrophobicContact CG1-CB 4.18Å; I362-A625 HydrophobicContact CG2-CB 3.55Å; A625-L631 CarbonylContact O-C 3.5Å; A625-Y632 PolarHBondContact N-O 2.9Å; A625-Y632 PolarHBondContact O-N 2.84Å; A625-I634 HydrophobicContact CB-CD1 3.9Å; A625-I801 HydrophobicContact CB-CG2 3.75Å; A625-V803 HydrophobicContact CB-CG2 3.56Å
626	V	90.9	Very high	91.5	Very high	7 Å²	7	14.5 Å²	14.5	4%	0.042	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	117.4	174.1	168.8	0	0	0	0	108.3	T570 F572 C630 L631	T570-V626 HydrophobicContact CG2-CG2 3.72Å; F572-V626 HydrophobicContact CB-CG2 3.98Å; F572-V626 HydrophobicContact CD2-CB 4.39Å; F572-V626 HydrophobicContact CD2-CG1 3.51Å; F572-V626 HydrophobicContact CD2-CG2 3.91Å; F572-V626 HydrophobicContact CE2-CG1 3.92Å; F572-V626 HydrophobicContact CG-CG1 4.49Å; F572-V626 HydrophobicContact CG-CG2 4.11Å; V626-C630 WeakPolarHBondContact CA-O 3.48Å; V626-L631 HydrophobicContact CG2-CB 4.49Å; V626-L631 HydrophobicContact CG2-CD1 3.75Å
627	T	87	Confident	91.4	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	148.8	171.7	-176	0	0	0	0	112	I358 G360 I362 P383 G629 C630 Y632	I358-T627 CarbonylContact O-C 3.58Å; I358-T627 WeakPolarHBondContact O-CA 3.18Å; I358-T627 PolarHBondContact O-OG1 2.85Å; G360-T627 PolarHBondContact N-OG1 3.09Å; G360-T627 PolarHBondContact O-OG1 3.47Å; I362-T627 HydrophobicContact CD1-CG2 3.77Å; I362-T627 HydrophobicContact CG1-CG2 3.68Å; P383-T627 HydrophobicContact CB-CG2 4.42Å; P383-T627 HydrophobicContact CG-CG2 3.48Å; P383-T627 VanDerWaalsContact CG-CG2 3.48Å; T627-G629 PolarHBondContact O-N 2.9Å; T627-G629 VanDerWaalsContact O-N 3.08Å; T627-C630 PolarHBondContact N-O 3.19Å; T627-C630 PolarHBondContact O-N 3.22Å; T627-C630 VanDerWaalsContact O-O 3.11Å; T627-Y632 HydrophobicContact CG2-CD2 4.04Å; T627-Y632 HydrophobicContact CG2-CE2 3.52Å
628	A	75.6	Confident	91.3	Very high	17 Å²	17	12.2 Å²	12.2	14%	0.14	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.8	30.5	176.5	0	0	0	0	0	114.9	I358 F359 P383 C630 K654	I358-A628 PolarHBondContact O-N 2.87Å; F359-A628 HydrophobicContact CD1-CB 3.89Å; F359-A628 HydrophobicContact CE1-CB 3.48Å; F359-A628 VanDerWaalsContact CE1-CB 3.48Å; F359-A628 HydrophobicContact CZ-CB 4.03Å; P383-A628 HydrophobicContact CB-CB 4.36Å; A628-C630 VanDerWaalsContact C-N 3.27Å; A628-C630 PolarHBondContact O-N 2.86Å; A628-K654 PolarHBondContact O-NZ 2.58Å; A628-K654 VanDerWaalsContact O-NZ 3.11Å
629	G	77.9	Confident	91	Very high	2 Å²	2	11.9 Å²	11.9	2%	0.021	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.3	17.4	-179.7	0	0	0	0	0	114.6	D357 T627 W784	D357-G629 VanDerWaalsContact CB-CA 3.49Å; D357-G629 WeakPolarHBondContact OD1-CA 2.99Å; D357-G629 WeakPolarHBondContact OD2-CA 3.33Å; T627-G629 PolarHBondContact O-N 2.9Å; T627-G629 VanDerWaalsContact O-N 3.08Å; G629-W784 WeakPolarHBondContact O-CH2 3.46Å
630	C	87.7	Confident	90.8	Very high	11 Å²	11	16.3 Å²	16.3	7%	0.074	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	143.1	175.9	-57	0	0	0	0	109.5	V626 T627 A628 Y632 F649	V626-C630 WeakPolarHBondContact CA-O 3.48Å; T627-C630 PolarHBondContact N-O 3.19Å; T627-C630 PolarHBondContact O-N 3.22Å; T627-C630 VanDerWaalsContact O-O 3.11Å; A628-C630 VanDerWaalsContact C-N 3.27Å; A628-C630 PolarHBondContact O-N 2.86Å; C630-Y632 HydrophobicContact CB-CD2 4.31Å; C630-Y632 HydrophobicContact CB-CE2 3.57Å; C630-F649 WeakPolarHBondContact CA-O 3.3Å
631	L	91.9	Very high	90.6	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	129.7	168.6	167.2	72	0	0	0	108.3	T570 F572 I577 L624 A625 V626 F649 W786	T570-L631 HydrophobicContact CG2-CD1 3.5Å; F572-L631 HydrophobicContact CD1-CB 4.34Å; F572-L631 HydrophobicContact CE1-CB 4.33Å; I577-L631 HydrophobicContact CB-CD2 4.18Å; I577-L631 HydrophobicContact CG1-CD2 4.31Å; I577-L631 HydrophobicContact CG2-CD2 3.67Å; L624-L631 HydrophobicContact CB-CD1 4.19Å; L624-L631 HydrophobicContact CD1-CD1 4.31Å; L624-L631 HydrophobicContact CD2-CD1 4.18Å; L624-L631 HydrophobicContact CG-CD1 4.45Å; A625-L631 CarbonylContact O-C 3.5Å; V626-L631 HydrophobicContact CG2-CB 4.49Å; V626-L631 HydrophobicContact CG2-CD1 3.75Å; L631-F649 HydrophobicContact CB-CB 4.11Å; L631-F649 HydrophobicContact CB-CD1 4.38Å; L631-F649 HydrophobicContact CD2-CD1 4.32Å; L631-F649 PolarHBondContact N-O 3.06Å; L631-F649 VanDerWaalsContact N-O 3.09Å; L631-F649 PolarHBondContact O-N 3.05Å; L631-W786 HydrophobicContact CD2-CH2 3.76Å; L631-W786 HydrophobicContact CD2-CZ2 4.09Å; L631-W786 HydrophobicContact CG-CH2 3.91Å
632	Y	94.4	Very high	90.4	Very high	16 Å²	16	18.6 Å²	18.6	6%	0.063	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	130.2	-178.9	-61.8	-97.8	0	0	0	110.1	I362 Y381 L624 A625 T627 C630 V646 E647 C648	I362-Y632 HydrophobicContact CD1-CD1 4.41Å; I362-Y632 HydrophobicContact CD1-CD2 3.86Å; I362-Y632 HydrophobicContact CD1-CE2 4.26Å; I362-Y632 HydrophobicContact CD1-CG 3.94Å; Y381-Y632 HydrophobicContact CE1-CE1 4.13Å; L624-Y632 WeakPolarHBondContact CA-O 3.34Å; L624-Y632 WeakPolarHBondContact CD2-O 3.21Å; A625-Y632 PolarHBondContact N-O 2.9Å; A625-Y632 PolarHBondContact O-N 2.84Å; T627-Y632 HydrophobicContact CG2-CD2 4.04Å; T627-Y632 HydrophobicContact CG2-CE2 3.52Å; C630-Y632 HydrophobicContact CB-CD2 4.31Å; C630-Y632 HydrophobicContact CB-CE2 3.57Å; Y632-V646 HydrophobicContact CD1-CG1 4.09Å; Y632-E647 CarbonylContact C-O 3.43Å; Y632-E647 VanDerWaalsContact CA-O 3.26Å; Y632-E647 WeakPolarHBondContact CA-O 3.39Å; Y632-C648 HydrophobicContact CD1-CB 4Å; Y632-C648 HydrophobicContact CE1-CB 3.96Å; Y632-C648 VanDerWaalsContact CE1-SG 3.54Å
633	A	95.6	Very high	90.2	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	113.9	169.9	0	0	0	0	0	108.7	L615 V622 L624 V646 E647 W786	L615-A633 HydrophobicContact CD2-CB 3.59Å; V622-A633 HydrophobicContact CG2-CB 4.03Å; L624-A633 HydrophobicContact CD2-CB 3.85Å; A633-V646 CarbonylContact O-C 3.5Å; A633-V646 WeakPolarHBondContact O-CA 3.31Å; A633-E647 HydrophobicContact CB-CB 4.46Å; A633-E647 PolarHBondContact N-O 3.44Å; A633-E647 PolarHBondContact O-N 3.03Å; A633-W786 HydrophobicContact CB-CE3 4.46Å; A633-W786 HydrophobicContact CB-CH2 3.87Å; A633-W786 HydrophobicContact CB-CZ3 3.6Å
634	I	94.9	Very high	90.1	Very high	2 Å²	2	25.6 Å²	25.6	1%	0.01	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	122.3	-164.3	-64.8	161.4	0	0	0	109.4	I362 W388 G623 A625 V646 L792 I801	I362-I634 HydrophobicContact CD1-CD1 4.17Å; I362-I634 HydrophobicContact CG2-CD1 3.82Å; W388-I634 HydrophobicContact CH2-CD1 4.21Å; W388-I634 HydrophobicContact CH2-CG2 4.4Å; W388-I634 HydrophobicContact CZ2-CD1 4.39Å; W388-I634 HydrophobicContact CZ2-CG2 4.42Å; G623-I634 PolarHBondContact N-O 2.98Å; G623-I634 VanDerWaalsContact N-O 3.08Å; G623-I634 PolarHBondContact O-N 2.82Å; A625-I634 HydrophobicContact CB-CD1 3.9Å; I634-V646 HydrophobicContact CB-CG2 4.39Å; I634-V646 HydrophobicContact CG1-CG1 3.84Å; I634-V646 HydrophobicContact CG1-CG2 4.05Å; I634-V646 HydrophobicContact CG2-CG2 4.18Å; I634-L792 HydrophobicContact CG2-CD1 3.77Å; I634-L792 HydrophobicContact CG2-CD2 3.99Å; I634-L792 HydrophobicContact CG2-CG 4.13Å; I634-I801 HydrophobicContact CB-CD1 4.2Å; I634-I801 HydrophobicContact CB-CG1 4.27Å; I634-I801 HydrophobicContact CD1-CD1 4.37Å; I634-I801 HydrophobicContact CD1-CG2 4.02Å; I634-I801 HydrophobicContact CG2-CD1 3.65Å; I634-I801 HydrophobicContact CG2-CG1 4.23Å
635	G	92.3	Very high	90	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	61.8	-147.1	173.8	0	0	0	0	0	115.2	R619 L643 T645	R619-G635 PolarHBondContact NH1-O 3.2Å; G635-L643 CarbonylContact C-O 3.53Å; G635-L643 WeakPolarHBondContact CA-O 3.34Å; G635-T645 PolarHBondContact N-O 3.19Å
636	G	91.3	Very high	90	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	109.3	-146.9	178.4	0	0	0	0	0	114.7	S620 L643 G797	S620-G636 CarbonylContact O-C 3.59Å; S620-G636 VanDerWaalsContact O-C 3.29Å; S620-G636 WeakPolarHBondContact O-CA 3.35Å; G636-L643 PolarHBondContact N-O 3.41Å; G636-L643 PolarHBondContact O-N 2.99Å; G636-G797 WeakPolarHBondContact CA-O 3.13Å; G636-G797 PolarHBondContact N-O 3.43Å
637	Y	91.8	Very high	90.2	Very high	48 Å²	48	27.2 Å²	27.2	19%	0.188	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	126	-176.5	-178.8	-108.7	0	0	0	109.4	F587 S620 G639 A641 H642	F587-Y637 HydrophobicContact CE1-CD1 4.14Å; F587-Y637 HydrophobicContact CE1-CE1 4.31Å; F587-Y637 HydrophobicContact CE2-CE1 4.26Å; F587-Y637 HydrophobicContact CZ-CD1 4.14Å; F587-Y637 AromaticContact CZ-CE1 3.84Å; F587-Y637 HydrophobicContact CZ-CE1 3.84Å; S620-Y637 PolarHBondContact N-O 3.28Å; S620-Y637 PolarHBondContact O-N 3.27Å; Y637-G639 VanDerWaalsContact CZ-C 3.49Å; Y637-G639 PolarHBondContact OH-O 2.82Å; Y637-A641 WeakPolarHBondContact CA-O 3.44Å; Y637-A641 VanDerWaalsContact CD2-C 3.46Å; Y637-A641 WeakPolarHBondContact CD2-O 3.29Å; Y637-H642 AromaticContact CD2-CE1 3.59Å; Y637-H642 AromaticContact CD2-ND1 3.49Å; Y637-H642 WeakPolarHBondContact CD2-ND1 3.26Å
638	D	92.2	Very high	90.5	Very high	41 Å²	41	27.6 Å²	27.6	22%	0.219	16%	0.158	C	C	.	.			trans	-88.2	-9.1	-175.7	61.5	16.7	0	0	0	114.6	P618 S640 A641 L643	P618-D638 WeakPolarHBondContact O-CA 3.38Å; P618-D638 WeakPolarHBondContact O-CB 3.4Å; D638-S640 WeakPolarHBondContact OD1-CA 3.28Å; D638-S640 WeakPolarHBondContact OD1-CB 3.44Å; D638-S640 PolarHBondContact OD1-N 3.27Å; D638-S640 PolarHBondContact OD1-OG 2.82Å; D638-A641 PolarHBondContact N-O 2.87Å; D638-A641 PolarHBondContact OD1-N 3.1Å; D638-L643 HydrophobicContact CB-CD1 4.25Å; D638-L643 HydrophobicContact CB-CD2 4.31Å; D638-L643 HydrophobicContact CB-CG 4.48Å
639	G	89	Confident	91.3	Very high	32 Å²	32	26.8 Å²	26.8	33%	0.33	15%	0.152	S	C	.	.	S	Bend	trans	111.5	-8.8	-170.9	0	0	0	0	0	114.2	Y637	Y637-G639 VanDerWaalsContact CZ-C 3.49Å; Y637-G639 PolarHBondContact OH-O 2.82Å
640	S	90.5	Very high	91.6	Very high	96 Å²	96	29.8 Å²	29.8	67%	0.671	16%	0.164	S	C	*	.	S	Bend	trans	-129.3	-50.7	177.1	67.6	0	0	0	0	111.9	D638	D638-S640 WeakPolarHBondContact OD1-CA 3.28Å; D638-S640 WeakPolarHBondContact OD1-CB 3.44Å; D638-S640 PolarHBondContact OD1-N 3.27Å; D638-S640 PolarHBondContact OD1-OG 2.82Å
641	A	89.7	Confident	91.1	Very high	47 Å²	47	30.4 Å²	30.4	39%	0.388	17%	0.168	S	C	.	.	S	Bend	trans	-127	153.3	-172.6	0	0	0	0	0	112.4	Y637 D638	Y637-A641 WeakPolarHBondContact CA-O 3.44Å; Y637-A641 VanDerWaalsContact CD2-C 3.46Å; Y637-A641 WeakPolarHBondContact CD2-O 3.29Å; D638-A641 PolarHBondContact N-O 2.87Å; D638-A641 PolarHBondContact OD1-N 3.1Å
642	H	89.2	Confident	89.8	Confident	37 Å²	37	32.8 Å²	32.8	17%	0.171	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	132.4	167.1	-72.7	-51.9	0	0	0	109.9	Y637 E796 G797	Y637-H642 AromaticContact CD2-CE1 3.59Å; Y637-H642 AromaticContact CD2-ND1 3.49Å; Y637-H642 WeakPolarHBondContact CD2-ND1 3.26Å; H642-E796 HydrophobicContact CB-CB 3.86Å; H642-E796 HydrophobicContact CB-CG 4.39Å; H642-G797 WeakPolarHBondContact ND1-CA 3.36Å
643	L	90.3	Very high	87.6	Confident	17 Å²	17	39.4 Å²	39.4	9%	0.089	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	126.8	-174.4	-59.1	178.6	0	0	0	109.5	V617 R619 G635 G636 D638	V617-L643 HydrophobicContact CG2-CD1 4.1Å; R619-L643 HydrophobicContact CG-CD1 3.85Å; G635-L643 CarbonylContact C-O 3.53Å; G635-L643 WeakPolarHBondContact CA-O 3.34Å; G636-L643 PolarHBondContact N-O 3.41Å; G636-L643 PolarHBondContact O-N 2.99Å; D638-L643 HydrophobicContact CB-CD1 4.25Å; D638-L643 HydrophobicContact CB-CD2 4.31Å; D638-L643 HydrophobicContact CB-CG 4.48Å
644	R	91	Very high	85.2	Confident	148 Å²	148	44.7 Å²	44.7	56%	0.558	24%	0.242	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-91	-7.9	159.5	67.5	175.9	-177.2	-144.2	0.6	113.4	S791 L792	R644-S791 WeakPolarHBondContact O-CA 3.46Å; R644-S791 WeakPolarHBondContact O-CB 3.47Å; R644-L792 HydrophobicContact CB-CB 4.24Å; R644-L792 PolarHBondContact O-N 3.28Å
645	T	93.3	Very high	82.3	Confident	51 Å²	51	50.3 Å²	50.3	31%	0.313	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	148.6	-172.2	59.7	0	0	0	0	111.6	R619 G635	R619-T645 PolarHBondContact NH1-O 3.48Å; R619-T645 PolarHBondContact NH1-OG1 3.28Å; R619-T645 PolarHBondContact NH2-OG1 2.79Å; G635-T645 PolarHBondContact N-O 3.19Å
646	V	93.9	Very high	79.3	Confident	2 Å²	2	54.6 Å²	54.6	1%	0.012	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	139.6	176	179	0	0	0	0	109.2	W388 Y632 A633 I634 G789 P790	W388-V646 HydrophobicContact CZ2-CG2 4.13Å; Y632-V646 HydrophobicContact CD1-CG1 4.09Å; A633-V646 CarbonylContact O-C 3.5Å; A633-V646 WeakPolarHBondContact O-CA 3.31Å; I634-V646 HydrophobicContact CB-CG2 4.39Å; I634-V646 HydrophobicContact CG1-CG1 3.84Å; I634-V646 HydrophobicContact CG1-CG2 4.05Å; I634-V646 HydrophobicContact CG2-CG2 4.18Å; V646-G789 PolarHBondContact O-N 3.14Å; V646-P790 WeakPolarHBondContact CB-O 3.48Å; V646-P790 WeakPolarHBondContact CG2-O 3.29Å
647	E	94.2	Very high	76.2	Confident	5 Å²	5	60 Å²	60	2%	0.023	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	144.5	169.3	-70.9	172.6	-103.7	0	0	110.2	S616 R619 Y632 A633 W786 S787	S616-E647 VanDerWaalsContact CB-OE2 3.29Å; S616-E647 WeakPolarHBondContact CB-OE2 3.1Å; S616-E647 PolarHBondContact N-OE2 3.29Å; S616-E647 PolarHBondContact OG-OE1 2.98Å; S616-E647 PolarHBondContact OG-OE2 2.77Å; R619-E647 IonicContact CZ-OE1 3.9Å; R619-E647 IonicContact NE-OE1 2.64Å; R619-E647 PolarHBondContact NE-OE1 2.96Å; R619-E647 IonicContact NH2-OE1 3.88Å; R619-E647 PolarHBondContact NH2-OE1 3.01Å; Y632-E647 CarbonylContact C-O 3.43Å; Y632-E647 VanDerWaalsContact CA-O 3.26Å; Y632-E647 WeakPolarHBondContact CA-O 3.39Å; A633-E647 HydrophobicContact CB-CB 4.46Å; A633-E647 PolarHBondContact N-O 3.44Å; A633-E647 PolarHBondContact O-N 3.03Å; E647-W786 HydrophobicContact CB-CE3 3.68Å; E647-W786 HydrophobicContact CB-CZ3 4.26Å; E647-S787 CarbonylContact C-O 3.58Å; E647-S787 WeakPolarHBondContact CA-O 3.41Å
648	C	93	Very high	73.4	Confident	8 Å²	8	66.5 Å²	66.5	5%	0.054	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	116.3	-174.6	-178.4	0	0	0	0	109.8	Y632 W786 S787	Y632-C648 HydrophobicContact CD1-CB 4Å; Y632-C648 HydrophobicContact CE1-CB 3.96Å; Y632-C648 VanDerWaalsContact CE1-SG 3.54Å; C648-W786 CarbonylContact O-C 3.57Å; C648-W786 WeakPolarHBondContact O-CA 3.18Å; C648-S787 PolarHBondContact N-O 3.37Å; C648-S787 PolarHBondContact O-N 2.88Å; C648-S787 PolarHBondContact O-OG 2.79Å
649	F	92.5	Very high	70.6	Confident	0 Å²	0	68.2 Å²	68.2	0%	0	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	121.3	178	-171.9	-118.2	0	0	0	110.5	I612 C630 L631 F781 W784 K785 W786	I612-F649 HydrophobicContact CD1-CE1 4.08Å; I612-F649 HydrophobicContact CD1-CZ 4.11Å; C630-F649 WeakPolarHBondContact CA-O 3.3Å; L631-F649 HydrophobicContact CB-CB 4.11Å; L631-F649 HydrophobicContact CB-CD1 4.38Å; L631-F649 HydrophobicContact CD2-CD1 4.32Å; L631-F649 PolarHBondContact N-O 3.06Å; L631-F649 VanDerWaalsContact N-O 3.09Å; L631-F649 PolarHBondContact O-N 3.05Å; F649-F781 HydrophobicContact CE1-CB 4.1Å; F649-F781 AromaticContact CE1-CD1 3.99Å; F649-F781 HydrophobicContact CE1-CD1 3.99Å; F649-F781 HydrophobicContact CE1-CG 4.05Å; F649-F781 HydrophobicContact CZ-CB 3.98Å; F649-F781 HydrophobicContact CZ-CG 4.44Å; F649-W784 HydrophobicContact CD1-CB 4.46Å; F649-W784 AromaticContact CD1-CE3 3.66Å; F649-W784 HydrophobicContact CD1-CE3 3.66Å; F649-W784 HydrophobicContact CD1-CZ3 4.37Å; F649-W784 HydrophobicContact CD2-CB 4.23Å; F649-W784 HydrophobicContact CE1-CB 3.79Å; F649-W784 HydrophobicContact CE1-CD2 4.21Å; F649-W784 AromaticContact CE1-CE3 3.74Å; F649-W784 HydrophobicContact CE1-CE3 3.74Å; F649-W784 HydrophobicContact CE1-CG 4.29Å; F649-W784 VanDerWaalsContact CE2-C 3.49Å; F649-W784 HydrophobicContact CE2-CB 3.49Å; F649-W784 VanDerWaalsContact CE2-CB 3.49Å; F649-W784 WeakPolarHBondContact CE2-O 3.46Å; F649-W784 HydrophobicContact CG-CE3 4.29Å; F649-W784 HydrophobicContact CZ-CB 3.26Å; F649-W784 HydrophobicContact CZ-CE3 4.42Å; F649-W784 HydrophobicContact CZ-CG 4.19Å; F649-K785 WeakPolarHBondContact CA-O 3.34Å; F649-W786 HydrophobicContact CB-CD2 3.71Å; F649-W786 HydrophobicContact CB-CE3 3.6Å; F649-W786 HydrophobicContact CB-CG 4.44Å; F649-W786 HydrophobicContact CB-CH2 3.85Å; F649-W786 HydrophobicContact CB-CZ2 3.93Å; F649-W786 HydrophobicContact CB-CZ3 3.67Å; F649-W786 AromaticContact CD2-CD1 3.77Å; F649-W786 AromaticContact CD2-CD2 3.92Å; F649-W786 HydrophobicContact CD2-CD2 3.92Å; F649-W786 AromaticContact CD2-CE2 3.75Å; F649-W786 AromaticContact CD2-CG 3.94Å; F649-W786 HydrophobicContact CD2-CG 3.94Å; F649-W786 HydrophobicContact CD2-CZ2 4.36Å; F649-W786 AromaticContact CD2-NE1 3.64Å; F649-W786 HydrophobicContact CG-CD2 4.2Å; F649-W786 AromaticContact CG-CE2 3.98Å; F649-W786 HydrophobicContact CG-CZ2 4.17Å
650	K	85.6	Confident	67.7	Low	65 Å²	65	74.9 Å²	74.9	28%	0.283	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	158.6	-175	60	-172.3	173.3	-168.9	0	112.7	K785 S787	K650-K785 PolarHBondContact N-O 2.93Å; K650-K785 PolarHBondContact O-N 3.13Å; K650-S787 WeakPolarHBondContact CE-OG 3.33Å
651	S	76.3	Confident	64.7	Low	23 Å²	23	73.3 Å²	73.3	16%	0.161	39%	0.388	C	S	.	.			trans	-64.2	137.7	172.5	177.1	0	0	0	0	111.2	I653 K654 W784	S651-I653 PolarHBondContact O-N 2.8Å; S651-I653 PolarHBondContact OG-N 2.81Å; S651-K654 PolarHBondContact O-N 2.9Å; S651-W784 VanDerWaalsContact N-CD2 3.3Å
652	P	64.3	Low	61.8	Low	50 Å²	50	75.7 Å²	75.7	33%	0.325	40%	0.401	S	S	.	.	G	3₁₀ helix	trans	-67	-12.9	172.8	29.5	-35.7	0	0	0	113	K654 Q655 D783	P652-K654 PolarHBondContact O-N 3.24Å; P652-Q655 WeakPolarHBondContact O-CA 3.26Å; P652-Q655 WeakPolarHBondContact O-CB 3.49Å; P652-Q655 PolarHBondContact O-N 3.33Å; P652-D783 VanDerWaalsContact CD-O 3.27Å; P652-D783 WeakPolarHBondContact CD-O 3.49Å; P652-D783 HydrophobicContact CG-CB 3.86Å; P652-D783 WeakPolarHBondContact CG-O 3.46Å
653	I	48.1	Very low	59.1	Low	155 Å²	155	80.8 Å²	80.8	80%	0.795	43%	0.43	S	S	*	.	G	3₁₀ helix	trans	-66.5	-22.1	174	-59.2	171.3	0	0	0	111.1	S651 Q655	S651-I653 PolarHBondContact O-N 2.8Å; S651-I653 PolarHBondContact OG-N 2.81Å; I653-Q655 PolarHBondContact O-N 3.4Å
654	K	46.7	Very low	56.4	Low	111 Å²	111	84 Å²	84	48%	0.483	45%	0.45	S	S	.	.	G	3₁₀ helix	trans	-78.8	5.7	167	-69.3	-171.8	175.1	-178.5	0	113.4	A628 S651 P652	A628-K654 PolarHBondContact O-NZ 2.58Å; A628-K654 VanDerWaalsContact O-NZ 3.11Å; S651-K654 PolarHBondContact O-N 2.9Å; P652-K654 PolarHBondContact O-N 3.24Å
655	Q	33.4	Very low	53.6	Low	120 Å²	120	83 Å²	83	56%	0.561	46%	0.455	S	S	*	.	S	Bend	trans	-104.4	114.6	168.3	-67.3	-171.6	-12.8	0	0	110.1	P652 I653	P652-Q655 WeakPolarHBondContact O-CA 3.26Å; P652-Q655 WeakPolarHBondContact O-CB 3.49Å; P652-Q655 PolarHBondContact O-N 3.33Å; I653-Q655 PolarHBondContact O-N 3.4Å
656	N	28.6	Very low	50.7	Low	91 Å²	91	87.8 Å²	87.8	49%	0.487	47%	0.474	S	S	.	.			trans	-41.5	126.7	178.9	-171.9	1.2	0	0	0	113.4	Y658 A659	N656-Y658 PolarHBondContact O-N 3.44Å; N656-Y658 VanDerWaalsContact OD1-CD2 3.26Å; N656-Y658 WeakPolarHBondContact OD1-CD2 3.41Å; N656-Y658 PolarHBondContact OD1-N 2.86Å; N656-A659 PolarHBondContact O-N 3.48Å
657	P	27.4	Very low	47.9	Very low	113 Å²	113	91.3 Å²	91.3	73%	0.734	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-14.4	178.4	-28.6	36	0	0	0	115.8
658	Y	32.1	Very low	45.2	Very low	184 Å²	184	97.8 Å²	97.8	72%	0.722	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.1	13	-178	-58	-68.8	0	0	0	115.3	N656 L660	N656-Y658 PolarHBondContact O-N 3.44Å; N656-Y658 VanDerWaalsContact OD1-CD2 3.26Å; N656-Y658 WeakPolarHBondContact OD1-CD2 3.41Å; N656-Y658 PolarHBondContact OD1-N 2.86Å; Y658-L660 PolarHBondContact O-N 3.22Å
659	A	32.5	Very low	42.5	Very low	77 Å²	77	101.7 Å²	101.7	64%	0.636	55%	0.553	S	S	*	*			trans	-63.3	-9.5	177.4	0	0	0	0	0	114.8	N656 S661	N656-A659 PolarHBondContact O-N 3.48Å; A659-S661 VanDerWaalsContact C-N 3.27Å; A659-S661 PolarHBondContact O-N 3.27Å; A659-S661 VanDerWaalsContact O-N 3.1Å
660	L	28.7	Very low	39.8	Very low	172 Å²	172	107.1 Å²	107.1	90%	0.901	58%	0.582	S	S	*	*	S	Bend	trans	-81.4	54.7	172.8	-74.6	166.8	0	0	0	113.2	Y658	Y658-L660 PolarHBondContact O-N 3.22Å
661	S	27.9	Very low	37.6	Very low	64 Å²	64	108 Å²	108	45%	0.448	59%	0.593	S	S	.	*			trans	-164.8	54.2	158.9	57.4	0	0	0	0	113.9	A659 N663 V664	A659-S661 VanDerWaalsContact C-N 3.27Å; A659-S661 PolarHBondContact O-N 3.27Å; A659-S661 VanDerWaalsContact O-N 3.1Å; S661-N663 PolarHBondContact O-N 3.48Å; S661-V664 PolarHBondContact O-N 3.31Å; S661-V664 VanDerWaalsContact O-N 3.14Å
662	S	28.7	Very low	35.6	Very low	96 Å²	96	112.9 Å²	112.9	67%	0.671	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.3	-1.1	177.7	47.1	0	0	0	0	116.2
663	N	33.2	Very low	34.3	Very low	144 Å²	144	113.7 Å²	113.7	77%	0.77	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.1	-8.4	176.8	-69.2	-11.5	0	0	0	114.6	S661	S661-N663 PolarHBondContact O-N 3.48Å
664	V	33.2	Very low	33.9	Very low	85 Å²	85	112.2 Å²	112.2	52%	0.515	62%	0.617	S	S	.	*	T	Hydrogen-bonded Turn	trans	-96.2	-30.3	-174	-177.8	0	0	0	0	113.2	S661 S667	S661-V664 PolarHBondContact O-N 3.31Å; S661-V664 VanDerWaalsContact O-N 3.14Å; V664-S667 PolarHBondContact O-OG 2.81Å
665	L	31.3	Very low	33.5	Very low	126 Å²	126	113.6 Å²	113.6	66%	0.66	63%	0.629	S	S	*	*	S	Bend	trans	-82.6	-27.8	-179.1	-82.3	158.8	0	0	0	113.7	S667 K668 C669	L665-S667 PolarHBondContact O-N 2.86Å; L665-S667 VanDerWaalsContact O-N 3.13Å; L665-K668 PolarHBondContact O-N 2.94Å; L665-K668 VanDerWaalsContact O-N 3.16Å; L665-C669 PolarHBondContact O-N 3.39Å
666	Q	34.2	Very low	33.5	Very low	153 Å²	153	115.2 Å²	115.2	72%	0.715	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.1	-25.4	175.6	-145.5	86.1	16.2	0	0	112.8
667	S	35.1	Very low	33.9	Very low	75 Å²	75	116.5 Å²	116.5	52%	0.524	65%	0.648	S	S	.	*	T	Hydrogen-bonded Turn	trans	-87.1	-16.5	-179.1	67	0	0	0	0	114.6	V664 L665	V664-S667 PolarHBondContact O-OG 2.81Å; L665-S667 PolarHBondContact O-N 2.86Å; L665-S667 VanDerWaalsContact O-N 3.13Å
668	K	36.5	Very low	34.2	Very low	141 Å²	141	120.2 Å²	120.2	61%	0.613	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.3	-21.8	-176	-74.3	-176.8	173.9	-178.4	0	114.5	L665 N670 T671	L665-K668 PolarHBondContact O-N 2.94Å; L665-K668 VanDerWaalsContact O-N 3.16Å; K668-N670 PolarHBondContact O-N 3.21Å; K668-T671 PolarHBondContact O-N 3.23Å; K668-T671 PolarHBondContact O-OG1 3.23Å
669	C	36	Very low	34.2	Very low	90 Å²	90	117.2 Å²	117.2	61%	0.608	66%	0.655	S	S	*	*	H	α-helix	trans	-67.2	-22.8	171.8	-73.5	0	0	0	0	113.3	L665 T671	L665-C669 PolarHBondContact O-N 3.39Å; C669-T671 PolarHBondContact O-N 2.79Å
670	N	36	Very low	34	Very low	114 Å²	114	120.7 Å²	120.7	61%	0.61	66%	0.663	S	S	*	*	H	α-helix	trans	-76.6	-2.3	173.6	-71.9	-9.4	0	0	0	114	K668 S673 N674	K668-N670 PolarHBondContact O-N 3.21Å; N670-S673 PolarHBondContact O-OG 3.05Å; N670-N674 PolarHBondContact O-ND2 3.38Å
671	T	39.1	Very low	34.2	Very low	84 Å²	84	120.3 Å²	120.3	52%	0.515	66%	0.66	S	S	.	*	H	α-helix	trans	-94.6	-26.9	-179.3	-40.3	0	0	0	0	112.6	K668 C669	K668-T671 PolarHBondContact O-N 3.23Å; K668-T671 PolarHBondContact O-OG1 3.23Å; C669-T671 PolarHBondContact O-N 2.79Å
672	L	34.4	Very low	34.3	Very low	125 Å²	125	121.1 Å²	121.1	65%	0.654	67%	0.666	S	S	*	*	H	α-helix	trans	-81.8	-27.6	179.9	-88.2	159.5	0	0	0	113.6	N674 L675	L672-N674 PolarHBondContact O-N 2.86Å; L672-L675 PolarHBondContact O-N 3.07Å
673	S	37.9	Very low	34.5	Very low	68 Å²	68	122.7 Å²	122.7	48%	0.476	67%	0.667	S	S	.	*	T	Hydrogen-bonded Turn	trans	-68.4	-15.5	172.5	44.8	0	0	0	0	114	N670	N670-S673 PolarHBondContact O-OG 3.05Å
674	N	39.2	Very low	34.6	Very low	123 Å²	123	122.5 Å²	122.5	66%	0.658	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94	-7.4	177.8	-74.2	-27.4	0	0	0	114.2	N670 L672	N670-N674 PolarHBondContact O-ND2 3.38Å; L672-N674 PolarHBondContact O-N 2.86Å
675	L	37.3	Very low	34.6	Very low	140 Å²	140	127.6 Å²	127.6	73%	0.733	68%	0.677	S	S	*	*	S	Bend	trans	-91	-6.8	176.5	-83.3	159.8	0	0	0	113.7	L672	L672-L675 PolarHBondContact O-N 3.07Å
676	L	34.6	Very low	34.8	Very low	155 Å²	155	128.1 Å²	128.1	81%	0.812	68%	0.681	S	S	*	*	S	Bend	trans	-104.7	22.5	-180	-77.6	163.5	0	0	0	113.2
677	N	35.8	Very low	34.9	Very low	117 Å²	117	126.4 Å²	126.4	63%	0.626	68%	0.677	S	S	*	*			trans	-133.1	109.8	-177.4	-94.9	-57	0	0	0	113.7
678	K	34.2	Very low	35	Very low	192 Å²	192	131.1 Å²	131.1	84%	0.835	69%	0.69	S	S	*	*			trans	76.3	156	157	-61.5	-176.1	178	-177	0	118.9
679	P	33.1	Very low	35.2	Very low	121 Å²	121	129.3 Å²	129.3	79%	0.786	69%	0.691	S	S	*	*			cis	-134.5	179.9	-26.9	33.1	-13.1	0	0	0	114.9
680	N	27.9	Very low	35.4	Very low	149 Å²	149	132.1 Å²	132.1	80%	0.797	70%	0.699	S	S	*	*			trans	-65	176.8	177.2	-68	-22	0	0	0	115.9
681	I	32.4	Very low	35.5	Very low	164 Å²	164	129.7 Å²	129.7	84%	0.841	70%	0.702	S	S	*	*			trans	101.1	131.9	160.9	-56	155.2	0	0	0	113.8
682	S	30.1	Very low	35.6	Very low	82 Å²	82	132.5 Å²	132.5	57%	0.573	71%	0.713	S	S	*	*			cis	-167.9	172.1	-24.3	61.1	0	0	0	0	110.1
683	D	34.4	Very low	36	Very low	128 Å²	128	133.4 Å²	133.4	68%	0.684	72%	0.719	S	S	*	*			trans	56.7	112.7	152	-43.9	-39	0	0	0	122.5
684	N	35	Very low	36.2	Very low	141 Å²	141	136.9 Å²	136.9	75%	0.754	73%	0.732	S	S	*	*				167.7	125.3	92.1	-94.8	-49	0	0	0	115.7
685	Y	31.8	Very low	36.4	Very low	192 Å²	192	137.1 Å²	137.1	75%	0.753	73%	0.734	S	S	*	*			trans	23.4	127.7	142.7	-75.5	-93.5	0	0	0	122.7
686	N	35.4	Very low	36.7	Very low	137 Å²	137	135.8 Å²	135.8	73%	0.733	73%	0.727	S	S	*	*				-176.8	119.7	95.9	-95	-46.8	0	0	0	115.7
687	N	36.7	Very low	36.9	Very low	117 Å²	117	134.8 Å²	134.8	63%	0.626	72%	0.722	S	S	*	*			trans	54.1	142.6	134.1	-58	-11.6	0	0	0	125.4
688	H	37.6	Very low	37.2	Very low	174 Å²	174	135.5 Å²	135.5	81%	0.806	73%	0.727	S	S	*	*			trans	91.6	136.2	155.2	-69.4	-43.5	0	0	0	119.3
689	V	40.2	Very low	37.4	Very low	103 Å²	103	133.7 Å²	133.7	62%	0.624	73%	0.726	S	S	*	*			cis	-168.2	154.8	-21.3	91.8	0	0	0	0	109.2
690	D	39.8	Very low	37.5	Very low	148 Å²	148	130.9 Å²	130.9	79%	0.791	72%	0.719	S	S	*	*			trans	56.8	142.4	173.4	-46.6	-19.1	0	0	0	116.5
691	G	38	Very low	37.8	Very low	64 Å²	64	131.6 Å²	131.6	66%	0.66	72%	0.721	S	S	*	*			cis	175	170.4	2.6	0	0	0	0	0	108
692	D	41.3	Very low	37.6	Very low	142 Å²	142	129 Å²	129	76%	0.759	72%	0.717	S	S	*	*			cis	-161.2	-170.1	-5.8	-74	-48.7	0	0	0	108.8
693	D	43.5	Very low	37.7	Very low	145 Å²	145	130.9 Å²	130.9	78%	0.775	73%	0.729	S	S	*	*			trans	64.9	100.8	159.7	-59.4	-9.7	0	0	0	122.9
694	D	42.6	Very low	37.5	Very low	140 Å²	140	131.9 Å²	131.9	75%	0.749	73%	0.734	S	S	*	*				77.2	102.9	116.7	-69.5	6.3	0	0	0	124.4
695	D	44	Very low	37.5	Very low	129 Å²	129	134.5 Å²	134.5	69%	0.69	74%	0.742	S	S	*	*				81.6	109.9	114.3	-88.3	8.8	0	0	0	124.5
696	N	42	Very low	37.4	Very low	112 Å²	112	133.8 Å²	133.8	60%	0.599	75%	0.745	S	S	*	*				79.7	116.4	121.3	-72.3	-35.6	0	0	0	123
697	N	40.3	Very low	37.2	Very low	133 Å²	133	133.2 Å²	133.2	71%	0.711	75%	0.749	S	S	*	*			trans	68.4	150.2	137.5	-54	-17.3	0	0	0	117.9
698	D	40.5	Very low	36.8	Very low	133 Å²	133	133.9 Å²	133.9	71%	0.711	76%	0.761	S	S	*	*			cis	-151.3	171.6	16.3	-128.8	-14.8	0	0	0	111.8
699	D	40	Very low	36.3	Very low	154 Å²	154	131 Å²	131	82%	0.824	76%	0.761	S	S	*	*			trans	0.6	145.6	158.1	-65.4	-28.9	0	0	0	120.9
700	G	33.7	Very low	35.9	Very low	61 Å²	61	135.3 Å²	135.3	63%	0.629	78%	0.777	S	S	*	*			cis	156.4	-163.3	8.6	0	0	0	0	0	112.2
701	I	34.1	Very low	35.2	Very low	164 Å²	164	135.5 Å²	135.5	84%	0.841	78%	0.778	S	S	*	*			trans	79.6	103.8	173.5	-50.7	175.6	0	0	0	116.9
702	S	28.8	Very low	34.7	Very low	109 Å²	109	137.3 Å²	137.3	76%	0.762	78%	0.78	S	S	*	*			trans	-93.9	147.5	159.4	59.7	0	0	0	0	111.1
703	C	32.4	Very low	34.2	Very low	122 Å²	122	136.9 Å²	136.9	82%	0.824	78%	0.778	S	S	*	*			trans	-137	97	166.5	-74.2	0	0	0	0	110.4
704	N	29.5	Very low	33.4	Very low	149 Å²	149	138 Å²	138	80%	0.797	78%	0.776	S	S	*	*			trans	-74.8	144.2	159.6	-81.4	-41.3	0	0	0	109.3
705	H	34.5	Very low	32.6	Very low	197 Å²	197	139.5 Å²	139.5	91%	0.912	78%	0.778	S	S	*	*			trans	-149.1	137.2	144.9	-101	-61.3	0	0	0	112.9
706	Q	31.6	Very low	31.7	Very low	176 Å²	176	137.4 Å²	137.4	82%	0.822	77%	0.774	S	S	*	*			trans	-79.9	163.7	-177.8	-75.2	167	-86	0	0	113.1
707	P	29.5	Very low	30.9	Very low	126 Å²	126	139.4 Å²	139.4	82%	0.818	78%	0.783	S	S	*	*			trans	-78.9	146.9	172.5	33.5	-35.3	0	0	0	112
708	C	29.9	Very low	30.3	Very low	130 Å²	130	138.3 Å²	138.3	88%	0.878	79%	0.786	S	S	*	*			trans	-125	127	170.2	-78.7	0	0	0	0	111.1
709	S	26	Very low	29.6	Very low	114 Å²	114	137.1 Å²	137.1	80%	0.797	79%	0.788	S	S	*	*			trans	-85.2	143.6	167.9	53.2	0	0	0	0	111.4
710	M	31.7	Very low	29	Very low	194 Å²	194	136.1 Å²	136.1	96%	0.956	79%	0.791	S	S	*	*			trans	-138	145.1	154.3	-78.1	-155.1	168.4	0	0	111.4
711	N	25.8	Very low	28.5	Very low	152 Å²	152	141 Å²	141	81%	0.813	80%	0.803	S	S	*	*			trans	-97.2	173.7	-179.3	-77.4	-29.8	0	0	0	111.5
712	S	28	Very low	28.4	Very low	102 Å²	102	139.2 Å²	139.2	71%	0.713	81%	0.805	S	S	*	*			trans	77.6	142.6	153.7	86	0	0	0	0	115.5
713	D	29.6	Very low	28.3	Very low	133 Å²	133	139 Å²	139	71%	0.711	80%	0.804	S	S	*	*			cis	-153.9	157.2	5.3	-99.6	-33.4	0	0	0	113.1
714	F	26.9	Very low	28.1	Very low	169 Å²	169	142.4 Å²	142.4	74%	0.741	81%	0.807	S	S	*	*			trans	39.5	137.6	146.5	-82.3	-106	0	0	0	125
715	E	25.6	Very low	27.9	Very low	170 Å²	170	139.4 Å²	139.4	79%	0.794	80%	0.804	S	S	*	*			trans	66.1	142.2	146	-77.4	172.8	-163.9	0	0	119.8
716	S	25.4	Very low	27.5	Very low	86 Å²	86	136.1 Å²	136.1	60%	0.601	80%	0.797	S	S	*	*			cis	-169.2	171.2	-2.5	52.8	0	0	0	0	111.2
717	I	25.2	Very low	27.2	Very low	153 Å²	153	133.5 Å²	133.5	79%	0.785	79%	0.793	S	S	*	*			trans	63	107.7	158.5	-60.8	153.7	0	0	0	116.4
718	S	28.3	Very low	27.1	Very low	110 Å²	110	137 Å²	137	77%	0.769	80%	0.796	S	S	*	*				179.2	153	77.9	35.6	0	0	0	0	113.7
719	S	24.6	Very low	26.9	Very low	109 Å²	109	136.9 Å²	136.9	76%	0.762	79%	0.791	S	S	*	*			trans	-50.4	145.6	176	52.7	0	0	0	0	118.2
720	C	27.9	Very low	27	Very low	132 Å²	132	135.1 Å²	135.1	89%	0.892	79%	0.791	S	S	*	*			trans	-152.6	93.5	139.1	-116.3	0	0	0	0	112
721	N	24.3	Very low	26.7	Very low	165 Å²	165	131.7 Å²	131.7	88%	0.882	78%	0.781	S	S	*	*			trans	-71.5	133.9	166.9	-82.3	-31.4	0	0	0	109.9
722	S	30.8	Very low	27	Very low	125 Å²	125	130.7 Å²	130.7	87%	0.874	78%	0.781	S	S	*	*			trans	-127.6	90.7	154.4	50.3	0	0	0	0	109.5
723	S	26.3	Very low	27.1	Very low	105 Å²	105	133.8 Å²	133.8	73%	0.734	78%	0.784	S	S	*	*			trans	-70.1	142.1	170.6	50.3	0	0	0	0	111.3
724	E	28.5	Very low	27	Very low	193 Å²	193	134.4 Å²	134.4	90%	0.902	79%	0.787	S	S	*	*			trans	-156.3	83.6	140.4	-118.2	168.9	-146.2	0	0	110.4
725	A	25.2	Very low	27.1	Very low	87 Å²	87	137 Å²	137	72%	0.719	79%	0.792	S	S	*	*			trans	-95.4	116.4	165	0	0	0	0	0	108.3	T727	A725-T727 PolarHBondContact O-N 2.83Å
726	V	27.1	Very low	27.3	Very low	127 Å²	127	138 Å²	138	77%	0.77	79%	0.794	S	S	*	*			trans	-87.6	93.1	173.3	-178.8	0	0	0	0	108.9	F728	V726-F728 HydrophobicContact CG1-CD2 4.22Å
727	T	24.4	Very low	27.2	Very low	122 Å²	122	140.7 Å²	140.7	75%	0.748	81%	0.807	S	S	*	*			trans	-98.8	115.9	162.7	36.4	0	0	0	0	109.6	A725	A725-T727 PolarHBondContact O-N 2.83Å
728	F	28	Very low	27.4	Very low	199 Å²	199	141.9 Å²	141.9	87%	0.873	81%	0.811	S	S	*	*			trans	-83.5	123.7	168.5	-111.9	-90.4	0	0	0	110.2	V726	V726-F728 HydrophobicContact CG1-CD2 4.22Å
729	V	24.5	Very low	27.3	Very low	128 Å²	128	141.7 Å²	141.7	78%	0.776	81%	0.805	S	S	*	*			trans	-84.7	117.7	175.9	177	0	0	0	0	109.4
730	G	29.1	Very low	27.5	Very low	77 Å²	77	143.9 Å²	143.9	79%	0.794	81%	0.808	S	S	*	*			trans	-113.1	114.9	167.7	0	0	0	0	0	110.3
731	T	25.4	Very low	27.4	Very low	121 Å²	121	145.5 Å²	145.5	74%	0.742	80%	0.802	S	S	*	*			trans	-77.4	130.2	-175.8	46.2	0	0	0	0	113.3
732	T	31.1	Very low	27.6	Very low	132 Å²	132	144.6 Å²	144.6	81%	0.81	80%	0.797	S	S	*	*				-176.1	123.1	120.3	21	0	0	0	0	114.7
733	Q	30.6	Very low	27.5	Very low	167 Å²	167	144.4 Å²	144.4	78%	0.78	80%	0.796	S	S	*	*			trans	37	124	147.3	-61.7	-174.7	-4.8	0	0	122.6
734	N	28	Very low	27.4	Very low	146 Å²	146	149.5 Å²	149.5	78%	0.781	81%	0.805	S	S	*	*			trans	47.6	131.7	134.1	-59.7	-34.2	0	0	0	119.2
735	R	28.9	Very low	27.5	Very low	223 Å²	223	146.2 Å²	146.2	84%	0.842	80%	0.8	S	S	*	*			cis	-173.1	136.4	46.6	-155.9	178.2	-167.8	-176.1	2.7	112.2
736	K	30.5	Very low	27.4	Very low	192 Å²	192	151.2 Å²	151.2	84%	0.835	81%	0.806	S	S	*	*			trans	43.5	124.9	150.7	-68.4	-172.5	173.2	-167.5	0	121.9
737	T	22.8	Very low	27.4	Very low	142 Å²	142	152.4 Å²	152.4	87%	0.871	81%	0.807	S	S	*	*			trans	-68.7	142.2	159.4	29.8	0	0	0	0	114.6
738	M	28.4	Very low	27.6	Very low	177 Å²	177	152.9 Å²	152.9	87%	0.872	80%	0.804	S	S	*	*			trans	171.9	140.5	157.2	-101.9	-174.6	127.4	0	0	105.8
739	T	26.8	Very low	27.5	Very low	106 Å²	106	148.6 Å²	148.6	65%	0.65	80%	0.798	S	S	*	*			cis	-167.5	172.1	-4.6	2.1	0	0	0	0	108.6
740	L	28.6	Very low	27.7	Very low	156 Å²	156	151.1 Å²	151.1	82%	0.817	80%	0.801	S	S	*	*			trans	76.3	114.1	159.5	-94.9	79.4	0	0	0	121.5
741	E	26.3	Very low	27.6	Very low	166 Å²	166	156.6 Å²	156.6	78%	0.776	80%	0.803	S	S	*	*			trans	-8.3	150.3	141.3	-57	-176.2	144	0	0	122.9
742	N	27.5	Very low	27.7	Very low	146 Å²	146	156.8 Å²	156.8	78%	0.781	81%	0.806	S	S	*	*			trans	59.2	97.5	141.3	-71.2	-31.6	0	0	0	120.7
743	S	29.6	Very low	27.5	Very low	120 Å²	120	155.6 Å²	155.6	84%	0.839	80%	0.804	S	S	*	*				-166.9	142.3	127.1	37.9	0	0	0	0	112.7
744	K	24.4	Very low	27.4	Very low	212 Å²	212	155.3 Å²	155.3	92%	0.922	81%	0.806	S	S	*	*			trans	-77.6	144.6	170.5	-72.6	174.8	175.3	172.1	0	110.5
745	P	29.6	Very low	27.3	Very low	124 Å²	124	153.7 Å²	153.7	81%	0.805	80%	0.803	S	S	*	*			trans	-116.4	145.9	145.2	29.2	-17.2	0	0	0	112.7
746	K	24.4	Very low	27.1	Very low	193 Å²	193	148.9 Å²	148.9	84%	0.839	80%	0.804	S	S	*	*			trans	-87.2	172.3	165.4	-89.1	177.9	168.9	177.7	0	109.9
747	L	26	Very low	27	Very low	151 Å²	151	143.9 Å²	143.9	79%	0.791	80%	0.798	S	S	*	*			trans	71.7	147.4	166.8	-94.5	71.4	0	0	0	114.1
748	I	29	Very low	27.1	Very low	133 Å²	133	142.9 Å²	142.9	68%	0.682	80%	0.797	S	S	*	*			cis	-128.3	150.9	12.3	-79.8	98.3	0	0	0	111
749	S	25.7	Very low	27	Very low	108 Å²	108	140.2 Å²	140.2	76%	0.755	79%	0.79	S	S	*	*			trans	-81.1	132.9	169.4	55.5	0	0	0	0	113.3
750	H	29.6	Very low	26.8	Very low	182 Å²	182	145.1 Å²	145.1	84%	0.843	80%	0.803	S	S	*	*			trans	-123.5	103.5	158.7	-85.4	-73.2	0	0	0	110.6
751	K	26.1	Very low	26.8	Very low	191 Å²	191	143.6 Å²	143.6	83%	0.83	80%	0.8	S	S	*	*			trans	-84.4	134.9	159.1	-82.6	-175.6	172.8	-177.3	0	108.4	S753	K751-S753 PolarHBondContact O-N 2.78Å
752	P	27	Very low	26.9	Very low	125 Å²	125	143.2 Å²	143.2	81%	0.812	80%	0.803	S	S	*	*			trans	-76.7	104.7	156.2	16.2	-3.1	0	0	0	108.4
753	S	27.5	Very low	26.9	Very low	108 Å²	108	141.9 Å²	141.9	76%	0.755	80%	0.804	S	S	*	*			trans	-81	112.7	167.4	51.1	0	0	0	0	109.7	K751	K751-S753 PolarHBondContact O-N 2.78Å
754	I	29.4	Very low	26.9	Very low	160 Å²	160	144.1 Å²	144.1	82%	0.821	81%	0.806	S	S	*	*			trans	-82.1	127.1	166.7	-60.5	177.4	0	0	0	107.6
755	P	26.3	Very low	27.1	Very low	113 Å²	113	138.2 Å²	138.2	73%	0.734	81%	0.806	S	S	*	*			trans	-78	134.5	-172.7	-9.7	25.9	0	0	0	112.6	A757	P755-A757 PolarHBondContact O-N 3.14Å
756	S	23.9	Very low	27.1	Very low	122 Å²	122	136.1 Å²	136.1	85%	0.853	81%	0.807	S	S	*	*			trans	-76.8	94.4	161.4	40.8	0	0	0	0	110.2	S758	S756-S758 PolarHBondContact O-N 2.83Å
757	A	28.1	Very low	27.2	Very low	86 Å²	86	134.1 Å²	134.1	71%	0.711	81%	0.811	S	S	*	*			trans	-88.6	94	174	0	0	0	0	0	111	P755 V759	P755-A757 PolarHBondContact O-N 3.14Å; A757-V759 PolarHBondContact O-N 2.79Å
758	S	24.1	Very low	27.3	Very low	122 Å²	122	131.8 Å²	131.8	85%	0.853	81%	0.807	S	S	*	*			trans	-77.4	109.1	167.6	48.3	0	0	0	0	110.3	S756	S756-S758 PolarHBondContact O-N 2.83Å
759	V	26.4	Very low	27.1	Very low	120 Å²	120	132.6 Å²	132.6	73%	0.727	82%	0.818	S	S	*	*			trans	-105.9	109.2	173.9	-176.4	0	0	0	0	109.3	A757 V761	A757-V759 PolarHBondContact O-N 2.79Å; V759-V761 HydrophobicContact CG1-CG2 3.89Å
760	K	23.2	Very low	27.3	Very low	209 Å²	209	135 Å²	135	91%	0.909	82%	0.822	S	S	*	*			trans	-76.3	126	162.5	-74.2	-178.5	175.1	-179.2	0	108.4
761	V	29	Very low	27.1	Very low	125 Å²	125	131.3 Å²	131.3	76%	0.758	82%	0.817	S	S	*	*			trans	-117.3	122.2	164.4	-178.2	0	0	0	0	108.1	V759	V759-V761 HydrophobicContact CG1-CG2 3.89Å
762	N	29.2	Very low	27.2	Very low	157 Å²	157	127.6 Å²	127.6	84%	0.84	82%	0.815	S	S	*	*			trans	-70	140.2	171.6	-93.4	-7.9	0	0	0	110.1
763	C	25.7	Very low	27.2	Very low	118 Å²	118	127.9 Å²	127.9	80%	0.797	81%	0.814	S	S	*	*			trans	-65.7	132.6	171.5	-52.4	0	0	0	0	110.9
764	N	31	Very low	27.2	Very low	168 Å²	168	129.7 Å²	129.7	90%	0.898	81%	0.814	S	S	*	*			trans	-169.9	122.3	141.4	-98.2	-19.4	0	0	0	111.4
765	G	28.9	Very low	27	Very low	88 Å²	88	127.7 Å²	127.7	91%	0.907	81%	0.811	S	S	*	*			trans	39.4	109.5	156.5	0	0	0	0	0	120.8
766	G	28.8	Very low	27.3	Very low	80 Å²	80	127.7 Å²	127.7	83%	0.825	81%	0.814	S	S	*	*			trans	167.5	106.3	161.9	0	0	0	0	0	113.8	S768	G766-S768 PolarHBondContact O-N 3.41Å
767	T	25.8	Very low	28.4	Very low	151 Å²	151	125.4 Å²	125.4	93%	0.926	80%	0.798	S	S	*	*			trans	-77.2	116.3	175.5	45.8	0	0	0	0	111.7
768	S	28.9	Very low	29.8	Very low	102 Å²	102	126.6 Å²	126.6	71%	0.713	80%	0.801	S	S	*	*			trans	-151	134.8	160.9	59.1	0	0	0	0	111	G766 L770	G766-S768 PolarHBondContact O-N 3.41Å; S768-L770 PolarHBondContact O-N 2.77Å
769	T	25.6	Very low	32.1	Very low	149 Å²	149	123.4 Å²	123.4	91%	0.914	77%	0.774	S	S	*	*			trans	-56.2	123.2	-175.6	47.1	0	0	0	0	113.3
770	L	27.9	Very low	34.4	Very low	160 Å²	160	121.2 Å²	121.2	84%	0.838	76%	0.762	S	S	*	*			trans	-111.6	120.2	172.7	-102.4	155.2	0	0	0	110	S768 S772	S768-L770 PolarHBondContact O-N 2.77Å; L770-S772 PolarHBondContact O-N 3.42Å
771	S	26.6	Very low	37.3	Very low	104 Å²	104	111.3 Å²	111.3	73%	0.727	72%	0.719	S	S	*	*			trans	-59.6	126.6	168.2	49.8	0	0	0	0	110.2	V773	S771-V773 PolarHBondContact O-N 2.95Å; S771-V773 VanDerWaalsContact O-N 3.1Å
772	S	27.1	Very low	39.7	Very low	113 Å²	113	108.6 Å²	108.6	79%	0.79	71%	0.71	S	S	*	*			trans	-68.5	105.4	179.7	40.9	0	0	0	0	111.8	L770 I774	L770-S772 PolarHBondContact O-N 3.42Å; S772-I774 PolarHBondContact O-N 2.91Å
773	V	28.8	Very low	42.2	Very low	131 Å²	131	107 Å²	107	79%	0.794	70%	0.701	S	S	*	*			trans	-73.5	112.2	160.4	178.2	0	0	0	0	107.2	S771	S771-V773 PolarHBondContact O-N 2.95Å; S771-V773 VanDerWaalsContact O-N 3.1Å
774	I	25.8	Very low	45.2	Very low	146 Å²	146	102.1 Å²	102.1	75%	0.749	67%	0.666	S	S	*	*	P	Polyproline II helix	trans	-65.6	131.9	177.2	-60.3	174.2	0	0	0	108.6	S772 S776	S772-I774 PolarHBondContact O-N 2.91Å; I774-S776 PolarHBondContact O-N 2.88Å
775	P	26.3	Very low	47.9	Very low	117 Å²	117	101.2 Å²	101.2	76%	0.76	65%	0.654	S	S	*	*	P	Polyproline II helix	trans	-64	131.7	177.5	-17.5	29.9	0	0	0	111	S777	P775-S777 PolarHBondContact O-N 2.7Å
776	S	33.1	Very low	51	Low	114 Å²	114	98.5 Å²	98.5	80%	0.797	62%	0.617	S	S	*	*	P	Polyproline II helix	trans	-59.8	127.4	170.1	54.1	0	0	0	0	110.4	I774 S778	I774-S776 PolarHBondContact O-N 2.88Å; S776-S778 PolarHBondContact O-N 2.73Å
777	S	45.4	Very low	54	Low	74 Å²	74	96.2 Å²	96.2	52%	0.517	59%	0.588	S	S	.	*	P	Polyproline II helix	trans	-55.9	131.8	-179.3	48.6	0	0	0	0	112.5	P775 N779	P775-S777 PolarHBondContact O-N 2.7Å; S777-N779 PolarHBondContact O-N 3.15Å
778	S	59.2	Low	57.1	Low	111 Å²	111	94.3 Å²	94.3	78%	0.776	58%	0.581	S	S	*	*	P	Polyproline II helix	trans	-61.6	131.8	171.6	51.2	0	0	0	0	111	S776 P780	S776-S778 PolarHBondContact O-N 2.73Å; S778-P780 WeakPolarHBondContact O-CD 3.43Å; S778-P780 VanDerWaalsContact O-N 3.15Å
779	N	71.3	Confident	59.9	Low	54 Å²	54	90 Å²	90	29%	0.289	55%	0.553	S	S	.	*			trans	-59.3	114.2	176.8	178.4	-5.3	0	0	0	110.5	S777 F781 A782	S777-N779 PolarHBondContact O-N 3.15Å; N779-F781 PolarHBondContact O-N 3.33Å; N779-F781 VanDerWaalsContact O-N 3.15Å; N779-F781 PolarHBondContact OD1-N 3.25Å; N779-A782 PolarHBondContact O-N 2.9Å
780	P	75.5	Confident	62.9	Low	74 Å²	74	85.2 Å²	85.2	48%	0.481	52%	0.524	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-11.5	-174.9	30.1	-36.2	0	0	0	113.5	M593 S778	M593-P780 HydrophobicContact SD-CG 4.22Å; S778-P780 WeakPolarHBondContact O-CD 3.43Å; S778-P780 VanDerWaalsContact O-N 3.15Å
781	F	83.4	Confident	65.9	Low	2 Å²	2	80 Å²	80	1%	0.009	50%	0.501	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.5	13.8	-178	-58.4	-58.9	0	0	0	113.6	F572 R573 I577 M593 I612 F649 N779 D783 W784	F572-F781 AromaticContact CD1-CE1 3.82Å; F572-F781 HydrophobicContact CD1-CE1 3.82Å; F572-F781 HydrophobicContact CD1-CE2 4.39Å; F572-F781 AromaticContact CD1-CZ 3.51Å; F572-F781 HydrophobicContact CD1-CZ 3.51Å; F572-F781 HydrophobicContact CE1-CD1 4.41Å; F572-F781 AromaticContact CE1-CE1 3.45Å; F572-F781 HydrophobicContact CE1-CE1 3.45Å; F572-F781 VanDerWaalsContact CE1-CE1 3.45Å; F572-F781 AromaticContact CE1-CZ 3.68Å; F572-F781 HydrophobicContact CE1-CZ 3.68Å; F572-F781 HydrophobicContact CG-CZ 4.44Å; F572-F781 HydrophobicContact CZ-CE1 4.34Å; R573-F781 HydrophobicContact CB-CZ 4.39Å; I577-F781 HydrophobicContact CD1-CE2 4.04Å; M593-F781 HydrophobicContact SD-CD2 3.6Å; M593-F781 VanDerWaalsContact SD-CD2 3.6Å; M593-F781 HydrophobicContact SD-CE2 3.58Å; M593-F781 VanDerWaalsContact SD-CE2 3.58Å; I612-F781 HydrophobicContact CD1-CD2 4.46Å; F649-F781 HydrophobicContact CE1-CB 4.1Å; F649-F781 AromaticContact CE1-CD1 3.99Å; F649-F781 HydrophobicContact CE1-CD1 3.99Å; F649-F781 HydrophobicContact CE1-CG 4.05Å; F649-F781 HydrophobicContact CZ-CB 3.98Å; F649-F781 HydrophobicContact CZ-CG 4.44Å; N779-F781 PolarHBondContact O-N 3.33Å; N779-F781 VanDerWaalsContact O-N 3.15Å; N779-F781 PolarHBondContact OD1-N 3.25Å; F781-D783 VanDerWaalsContact C-N 3.28Å; F781-D783 PolarHBondContact O-N 2.89Å; F781-D783 VanDerWaalsContact O-N 3.17Å; F781-W784 HydrophobicContact CB-CB 4.33Å; F781-W784 HydrophobicContact CB-CG 4.3Å; F781-W784 AromaticContact CD1-CD2 3.71Å; F781-W784 HydrophobicContact CD1-CD2 3.71Å; F781-W784 AromaticContact CD1-CE2 3.81Å; F781-W784 HydrophobicContact CD1-CE3 4.05Å; F781-W784 HydrophobicContact CD1-CG 4.02Å; F781-W784 HydrophobicContact CD1-CZ2 4.29Å; F781-W784 HydrophobicContact CD1-CZ3 4.5Å; F781-W784 HydrophobicContact CE1-CD2 4.35Å; F781-W784 HydrophobicContact CE1-CE3 4.38Å; F781-W784 HydrophobicContact CE1-CH2 4.35Å; F781-W784 HydrophobicContact CE1-CZ2 4.26Å; F781-W784 HydrophobicContact CE1-CZ3 4.39Å; F781-W784 WeakPolarHBondContact O-CB 3.4Å; F781-W784 PolarHBondContact O-N 3.38Å
782	A	79.2	Confident	68.8	Low	68 Å²	68	75.3 Å²	75.3	56%	0.562	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.5	-40.3	-173.8	0	0	0	0	0	114.4	N779	N779-A782 PolarHBondContact O-N 2.9Å
783	D	82.1	Confident	71.6	Confident	122 Å²	122	74.1 Å²	74.1	65%	0.652	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.5	-6.8	-179	-61.2	-50.5	0	0	0	114.2	P652 F781	P652-D783 VanDerWaalsContact CD-O 3.27Å; P652-D783 WeakPolarHBondContact CD-O 3.49Å; P652-D783 HydrophobicContact CG-CB 3.86Å; P652-D783 WeakPolarHBondContact CG-O 3.46Å; F781-D783 VanDerWaalsContact C-N 3.28Å; F781-D783 PolarHBondContact O-N 2.89Å; F781-D783 VanDerWaalsContact O-N 3.17Å
784	W	88.8	Confident	73.9	Confident	17 Å²	17	69.8 Å²	69.8	6%	0.064	43%	0.429	C	S	.	.			trans	-76.7	144.1	-171.9	-72.1	50.4	0	0	0	112	F572 S613 G629 F649 S651 F781	F572-W784 HydrophobicContact CE1-CE3 4.41Å; F572-W784 HydrophobicContact CE1-CH2 4.08Å; F572-W784 AromaticContact CE1-CZ3 3.7Å; F572-W784 HydrophobicContact CE1-CZ3 3.7Å; F572-W784 AromaticContact CZ-CH2 3.74Å; F572-W784 HydrophobicContact CZ-CH2 3.74Å; F572-W784 AromaticContact CZ-CZ3 3.63Å; F572-W784 HydrophobicContact CZ-CZ3 3.63Å; S613-W784 PolarHBondContact OG-O 2.83Å; G629-W784 WeakPolarHBondContact O-CH2 3.46Å; F649-W784 HydrophobicContact CD1-CB 4.46Å; F649-W784 AromaticContact CD1-CE3 3.66Å; F649-W784 HydrophobicContact CD1-CE3 3.66Å; F649-W784 HydrophobicContact CD1-CZ3 4.37Å; F649-W784 HydrophobicContact CD2-CB 4.23Å; F649-W784 HydrophobicContact CE1-CB 3.79Å; F649-W784 HydrophobicContact CE1-CD2 4.21Å; F649-W784 AromaticContact CE1-CE3 3.74Å; F649-W784 HydrophobicContact CE1-CE3 3.74Å; F649-W784 HydrophobicContact CE1-CG 4.29Å; F649-W784 VanDerWaalsContact CE2-C 3.49Å; F649-W784 HydrophobicContact CE2-CB 3.49Å; F649-W784 VanDerWaalsContact CE2-CB 3.49Å; F649-W784 WeakPolarHBondContact CE2-O 3.46Å; F649-W784 HydrophobicContact CG-CE3 4.29Å; F649-W784 HydrophobicContact CZ-CB 3.26Å; F649-W784 HydrophobicContact CZ-CE3 4.42Å; F649-W784 HydrophobicContact CZ-CG 4.19Å; S651-W784 VanDerWaalsContact N-CD2 3.3Å; F781-W784 HydrophobicContact CB-CB 4.33Å; F781-W784 HydrophobicContact CB-CG 4.3Å; F781-W784 AromaticContact CD1-CD2 3.71Å; F781-W784 HydrophobicContact CD1-CD2 3.71Å; F781-W784 AromaticContact CD1-CE2 3.81Å; F781-W784 HydrophobicContact CD1-CE3 4.05Å; F781-W784 HydrophobicContact CD1-CG 4.02Å; F781-W784 HydrophobicContact CD1-CZ2 4.29Å; F781-W784 HydrophobicContact CD1-CZ3 4.5Å; F781-W784 HydrophobicContact CE1-CD2 4.35Å; F781-W784 HydrophobicContact CE1-CE3 4.38Å; F781-W784 HydrophobicContact CE1-CH2 4.35Å; F781-W784 HydrophobicContact CE1-CZ2 4.26Å; F781-W784 HydrophobicContact CE1-CZ3 4.39Å; F781-W784 WeakPolarHBondContact O-CB 3.4Å; F781-W784 PolarHBondContact O-N 3.38Å
785	K	87.9	Confident	76.4	Confident	149 Å²	149	62.9 Å²	62.9	65%	0.648	39%	0.394	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134.9	148.1	-176.2	-64.3	-176.4	-176.7	176.2	0	112.1	F649 K650	F649-K785 WeakPolarHBondContact CA-O 3.34Å; K650-K785 PolarHBondContact N-O 2.93Å; K650-K785 PolarHBondContact O-N 3.13Å
786	W	92.7	Very high	78.7	Confident	31 Å²	31	59.7 Å²	59.7	12%	0.117	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	144.8	167.9	-64.9	95.3	0	0	0	110.2	V591 S613 L615 L631 A633 E647 C648 F649	V591-W786 HydrophobicContact CG1-CZ2 4.4Å; V591-W786 HydrophobicContact CG2-CZ2 4.06Å; S613-W786 PolarHBondContact O-NE1 2.84Å; L615-W786 HydrophobicContact CD2-CD2 3.8Å; L615-W786 HydrophobicContact CD2-CE3 3.87Å; L615-W786 HydrophobicContact CD2-CH2 3.85Å; L615-W786 HydrophobicContact CD2-CZ2 3.78Å; L615-W786 HydrophobicContact CD2-CZ3 3.89Å; L631-W786 HydrophobicContact CD2-CH2 3.76Å; L631-W786 HydrophobicContact CD2-CZ2 4.09Å; L631-W786 HydrophobicContact CG-CH2 3.91Å; A633-W786 HydrophobicContact CB-CE3 4.46Å; A633-W786 HydrophobicContact CB-CH2 3.87Å; A633-W786 HydrophobicContact CB-CZ3 3.6Å; E647-W786 HydrophobicContact CB-CE3 3.68Å; E647-W786 HydrophobicContact CB-CZ3 4.26Å; C648-W786 CarbonylContact O-C 3.57Å; C648-W786 WeakPolarHBondContact O-CA 3.18Å; F649-W786 HydrophobicContact CB-CD2 3.71Å; F649-W786 HydrophobicContact CB-CE3 3.6Å; F649-W786 HydrophobicContact CB-CG 4.44Å; F649-W786 HydrophobicContact CB-CH2 3.85Å; F649-W786 HydrophobicContact CB-CZ2 3.93Å; F649-W786 HydrophobicContact CB-CZ3 3.67Å; F649-W786 AromaticContact CD2-CD1 3.77Å; F649-W786 AromaticContact CD2-CD2 3.92Å; F649-W786 HydrophobicContact CD2-CD2 3.92Å; F649-W786 AromaticContact CD2-CE2 3.75Å; F649-W786 AromaticContact CD2-CG 3.94Å; F649-W786 HydrophobicContact CD2-CG 3.94Å; F649-W786 HydrophobicContact CD2-CZ2 4.36Å; F649-W786 AromaticContact CD2-NE1 3.64Å; F649-W786 HydrophobicContact CG-CD2 4.2Å; F649-W786 AromaticContact CG-CE2 3.98Å; F649-W786 HydrophobicContact CG-CZ2 4.17Å
787	S	92	Very high	80.5	Confident	32 Å²	32	54.2 Å²	54.2	22%	0.224	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	150.3	178.6	55.5	0	0	0	0	109.5	E647 C648 K650 G789	E647-S787 CarbonylContact C-O 3.58Å; E647-S787 WeakPolarHBondContact CA-O 3.41Å; C648-S787 PolarHBondContact N-O 3.37Å; C648-S787 PolarHBondContact O-N 2.88Å; C648-S787 PolarHBondContact O-OG 2.79Å; K650-S787 WeakPolarHBondContact CE-OG 3.33Å; S787-G789 PolarHBondContact O-N 2.84Å
788	S	91.8	Very high	82.3	Confident	111 Å²	111	52.7 Å²	52.7	78%	0.776	31%	0.314	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.6	136.8	178.2	-171	0	0	0	0	111.1
789	G	88.1	Confident	83.6	Confident	12 Å²	12	47.7 Å²	47.7	12%	0.124	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	171.6	173.7	0	0	0	0	0	112.4	V646 S787 S791	V646-G789 PolarHBondContact O-N 3.14Å; S787-G789 PolarHBondContact O-N 2.84Å; G789-S791 PolarHBondContact O-N 2.99Å
790	P	88.1	Confident	84.6	Confident	48 Å²	48	45.3 Å²	45.3	31%	0.312	27%	0.266	S	S	.	.	P	Polyproline II helix	trans	-57.9	128.6	177.2	-26.2	38.2	0	0	0	111.4	Y381 G386 W388 V646	Y381-P790 HydrophobicContact CE2-CB 4Å; Y381-P790 HydrophobicContact CE2-CG 3.8Å; G386-P790 WeakPolarHBondContact O-CG 3.27Å; W388-P790 PolarHBondContact NE1-O 2.82Å; V646-P790 WeakPolarHBondContact CB-O 3.48Å; V646-P790 WeakPolarHBondContact CG2-O 3.29Å
791	S	90.1	Very high	85.4	Confident	49 Å²	49	42.9 Å²	42.9	34%	0.343	25%	0.249	S	C	.	.	P	Polyproline II helix	trans	-74.9	154.1	-179.7	-62.7	0	0	0	0	112	R644 G789	R644-S791 WeakPolarHBondContact O-CA 3.46Å; R644-S791 WeakPolarHBondContact O-CB 3.47Å; G789-S791 PolarHBondContact O-N 2.99Å
792	L	88.8	Confident	85.8	Confident	6 Å²	6	43.6 Å²	43.6	3%	0.031	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-59.4	154.8	170.4	-62.5	162	0	0	0	111.1	A364 E379 W388 I634 R644 H795	A364-L792 HydrophobicContact CB-CD2 3.87Å; E379-L792 WeakPolarHBondContact OE2-CA 3.24Å; W388-L792 HydrophobicContact CD2-CD2 4Å; W388-L792 HydrophobicContact CE3-CD2 3.97Å; W388-L792 HydrophobicContact CH2-CD2 3.6Å; W388-L792 HydrophobicContact CZ2-CD2 3.6Å; W388-L792 HydrophobicContact CZ2-CG 4.45Å; W388-L792 HydrophobicContact CZ3-CD2 3.78Å; I634-L792 HydrophobicContact CG2-CD1 3.77Å; I634-L792 HydrophobicContact CG2-CD2 3.99Å; I634-L792 HydrophobicContact CG2-CG 4.13Å; R644-L792 HydrophobicContact CB-CB 4.24Å; R644-L792 PolarHBondContact O-N 3.28Å; L792-H795 HydrophobicContact CB-CB 4.22Å; L792-H795 HydrophobicContact CD1-CB 3.87Å; L792-H795 HydrophobicContact CD2-CB 4.5Å; L792-H795 HydrophobicContact CG-CB 4.42Å
793	I	85.8	Confident	86.4	Confident	89 Å²	89	41.4 Å²	41.4	46%	0.456	23%	0.233	S	C	.	.	S	Bend	trans	-83	-53.1	-175	-56.6	172.5	0	0	0	111.2	E379 W388 L390	E379-I793 HydrophobicContact CG-CB 4.4Å; E379-I793 HydrophobicContact CG-CD1 4.41Å; E379-I793 PolarHBondContact OE1-N 3.3Å; E379-I793 PolarHBondContact OE2-N 3.3Å; W388-I793 HydrophobicContact CB-CD1 3.84Å; W388-I793 HydrophobicContact CB-CG1 3.84Å; L390-I793 HydrophobicContact CG-CD1 4.22Å
794	A	75.9	Confident	86.6	Confident	40 Å²	40	36.4 Å²	36.4	33%	0.331	21%	0.207	S	C	.	.	S	Bend	trans	-132	-24.2	-168.4	0	0	0	0	0	113.3	I377 E379	I377-A794 HydrophobicContact CD1-CB 4.38Å; E379-A794 WeakPolarHBondContact OE1-CA 3.03Å; E379-A794 PolarHBondContact OE1-N 2.99Å
795	H	78.3	Confident	86.1	Confident	1 Å²	1	36.9 Å²	36.9	1%	0.005	21%	0.212	C	C	.	.			trans	-69	131.1	-179.4	-76.7	109.3	0	0	0	114.6	A364 G366 H375 I377 V378 E379 L792 V799	A364-H795 PolarHBondContact O-CE1 3.37Å; G366-H795 VanDerWaalsContact C-NE2 3.3Å; G366-H795 WeakPolarHBondContact CA-NE2 3.19Å; G366-H795 PolarHBondContact N-NE2 2.96Å; G366-H795 PolarHBondContact O-CD2 2.76Å; G366-H795 PolarHBondContact O-NE2 3.04Å; H375-H795 AromaticContact CE1-CD2 3.37Å; H375-H795 PolarHBondContact CE1-CD2 2.82Å; H375-H795 AromaticContact CE1-NE2 3.45Å; H375-H795 PolarHBondContact CE1-NE2 3.35Å; H375-H795 AromaticContact NE2-CD2 3.96Å; I377-H795 PolarHBondContact O-CE1 3.11Å; I377-H795 VanDerWaalsContact O-CE1 3.28Å; I377-H795 PolarHBondContact O-NE2 2.71Å; V378-H795 WeakPolarHBondContact CA-CE1 3.44Å; E379-H795 VanDerWaalsContact CA-CE1 3.46Å; E379-H795 WeakPolarHBondContact CA-CE1 3.39Å; E379-H795 WeakPolarHBondContact CB-CE1 3.5Å; E379-H795 WeakPolarHBondContact CG-CE1 3.38Å; E379-H795 WeakPolarHBondContact CG-ND1 3.21Å; E379-H795 PolarHBondContact N-CE1 3.02Å; E379-H795 IonicContact OE1-CG 2.88Å; E379-H795 PolarHBondContact OE1-N 3.15Å; E379-H795 IonicContact OE1-ND1 3.21Å; E379-H795 PolarHBondContact OE1-ND1 2.82Å; E379-H795 IonicContact OE2-ND1 3.05Å; L792-H795 HydrophobicContact CB-CB 4.22Å; L792-H795 HydrophobicContact CD1-CB 3.87Å; L792-H795 HydrophobicContact CD2-CB 4.5Å; L792-H795 HydrophobicContact CG-CB 4.42Å; H795-V799 HydrophobicContact CB-CG2 3.72Å
796	E	74.3	Confident	85.1	Confident	49 Å²	49	34.4 Å²	34.4	23%	0.229	20%	0.201	C	C	.	.	B	Isolated β-bridge	trans	-126.7	146.5	168.2	-71.7	-162.9	-174.4	0	0	112.6	W368 H642	W368-E796 PolarHBondContact N-O 2.81Å; W368-E796 CarbonylContact O-C 3.48Å; W368-E796 WeakPolarHBondContact O-CA 3.49Å; W368-E796 WeakPolarHBondContact O-CB 3.41Å; W368-E796 PolarHBondContact O-N 3.48Å; H642-E796 HydrophobicContact CB-CB 3.86Å; H642-E796 HydrophobicContact CB-CG 4.39Å
797	G	71.9	Confident	83.1	Confident	0 Å²	0	36 Å²	36	0%	0	23%	0.228	C	C	.	.	B	Isolated β-bridge	trans	78.4	-124.3	171.4	0	0	0	0	0	115.3	G636 H642 V799	G636-G797 WeakPolarHBondContact CA-O 3.13Å; G636-G797 PolarHBondContact N-O 3.43Å; H642-G797 WeakPolarHBondContact ND1-CA 3.36Å; G797-V799 PolarHBondContact O-N 2.87Å
798	W	82.2	Confident	80.7	Confident	42 Å²	42	38.5 Å²	38.5	16%	0.159	24%	0.236	C	C	.	.	S	Bend	trans	-95.7	88.4	-171.9	-163.7	-18.3	0	0	0	111.7	G367 R400 A447 A494 R566 R621	G367-W798 WeakPolarHBondContact CA-O 3.24Å; R400-W798 HydrophobicContact CB-CD2 4.22Å; R400-W798 HydrophobicContact CB-CE3 4.21Å; R400-W798 HydrophobicContact CB-CZ3 4.47Å; R400-W798 HydrophobicContact CG-CD2 4.04Å; R400-W798 HydrophobicContact CG-CE3 3.71Å; R400-W798 HydrophobicContact CG-CG 4.47Å; R400-W798 HydrophobicContact CG-CZ3 4.18Å; A447-W798 HydrophobicContact CB-CH2 3.47Å; A447-W798 VanDerWaalsContact CB-CH2 3.47Å; A447-W798 HydrophobicContact CB-CZ2 4.08Å; A447-W798 HydrophobicContact CB-CZ3 4.05Å; A494-W798 HydrophobicContact CB-CH2 3.59Å; A494-W798 HydrophobicContact CB-CZ3 4.32Å; R566-W798 HydrophobicContact CG-CH2 4.09Å; R566-W798 HydrophobicContact CG-CZ3 3.94Å; R621-W798 HydrophobicContact CB-CB 3.78Å; R621-W798 HydrophobicContact CB-CD2 4.07Å; R621-W798 HydrophobicContact CB-CE3 4.33Å; R621-W798 HydrophobicContact CB-CG 3.84Å; R621-W798 HydrophobicContact CG-CB 4.31Å; R621-W798 HydrophobicContact CG-CD2 4.29Å; R621-W798 HydrophobicContact CG-CE3 4.03Å; R621-W798 HydrophobicContact CG-CG 4.44Å
799	V	87.5	Confident	77.7	Confident	6 Å²	6	35.8 Å²	35.8	4%	0.036	22%	0.217	C	C	.	.			trans	-88.4	144.6	179.5	-173.2	0	0	0	0	110.6	A364 H795 G797 I801	A364-V799 HydrophobicContact CB-CG1 3.73Å; H795-V799 HydrophobicContact CB-CG2 3.72Å; G797-V799 PolarHBondContact O-N 2.87Å; V799-I801 HydrophobicContact CB-CD1 4.17Å; V799-I801 HydrophobicContact CG1-CD1 3.67Å; V799-I801 HydrophobicContact CG1-CG1 4.49Å
800	G	91.2	Very high	74.7	Confident	3 Å²	3	39.4 Å²	39.4	3%	0.031	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	116.4	166.2	0	0	0	0	0	110.6	V365	V365-G800 PolarHBondContact N-O 2.86Å; V365-G800 WeakPolarHBondContact O-CA 3.42Å; V365-G800 PolarHBondContact O-N 2.86Å
801	I	93.7	Very high	71.6	Confident	24 Å²	24	43 Å²	43	12%	0.123	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	135.3	-179.9	-61.2	-54.5	0	0	0	110.4	I362 Y363 A364 A625 I634 V799	I362-I801 HydrophobicContact CG2-CG2 3.95Å; Y363-I801 WeakPolarHBondContact O-CA 3.45Å; A364-I801 HydrophobicContact CB-CD1 3.72Å; A625-I801 HydrophobicContact CB-CG2 3.75Å; I634-I801 HydrophobicContact CB-CD1 4.2Å; I634-I801 HydrophobicContact CB-CG1 4.27Å; I634-I801 HydrophobicContact CD1-CD1 4.37Å; I634-I801 HydrophobicContact CD1-CG2 4.02Å; I634-I801 HydrophobicContact CG2-CD1 3.65Å; I634-I801 HydrophobicContact CG2-CG1 4.23Å; V799-I801 HydrophobicContact CB-CD1 4.17Å; V799-I801 HydrophobicContact CG1-CD1 3.67Å; V799-I801 HydrophobicContact CG1-CG1 4.49Å
802	C	92.2	Very high	68.4	Low	16 Å²	16	46.7 Å²	46.7	11%	0.108	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	158.8	171.7	-164.3	0	0	0	0	111.1	I362 Y363 V403 V404 A405 L410	I362-C802 CarbonylContact C-O 3.59Å; I362-C802 WeakPolarHBondContact CA-O 3.4Å; I362-C802 WeakPolarHBondContact CG2-O 3.42Å; Y363-C802 PolarHBondContact N-O 2.88Å; Y363-C802 PolarHBondContact O-N 3.39Å; V403-C802 HydrophobicContact CB-CB 4.19Å; V403-C802 HydrophobicContact CG1-CB 3.66Å; V404-C802 VanDerWaalsContact C-SG 3.58Å; A405-C802 PolarHBondContact N-SG 2.92Å; L410-C802 HydrophobicContact CD1-CB 3.65Å
803	V	90.6	Very high	65.3	Low	22 Å²	22	59.3 Å²	59.3	13%	0.133	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	124.8	170.2	-179.6	0	0	0	0	108.3	I358 V361 I362 A405 A625 P805	I358-V803 HydrophobicContact CG2-CG1 4.04Å; V361-V803 WeakPolarHBondContact O-CA 3.47Å; I362-V803 HydrophobicContact CG1-CG2 4.25Å; I362-V803 HydrophobicContact CG2-CG2 4.33Å; A405-V803 WeakPolarHBondContact CB-O 3.49Å; A625-V803 HydrophobicContact CB-CG2 3.56Å; V803-P805 WeakPolarHBondContact O-CD 3.42Å
804	L	87.6	Confident	64.3	Low	17 Å²	17	57.8 Å²	57.8	9%	0.089	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	113.6	171.7	-172.8	80.2	0	0	0	109	G360 V361 Y363 A405 P430	G360-L804 CarbonylContact C-O 3.6Å; G360-L804 WeakPolarHBondContact CA-O 3.44Å; V361-L804 PolarHBondContact N-O 2.92Å; V361-L804 PolarHBondContact O-N 2.9Å; Y363-L804 HydrophobicContact CD2-CB 3.98Å; Y363-L804 HydrophobicContact CE2-CB 3.65Å; Y363-L804 HydrophobicContact CE2-CD2 4.06Å; A405-L804 HydrophobicContact CB-CD1 4.01Å; P430-L804 HydrophobicContact CB-CD2 4.14Å; P430-L804 HydrophobicContact CG-CD2 3.4Å; P430-L804 VanDerWaalsContact CG-CD2 3.4Å
805	P	77.3	Confident	63.7	Low	28 Å²	28	58.7 Å²	58.7	18%	0.182	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	140.4	-179.8	-18.3	32.4	0	0	0	111.9	I358 F359 V803 G807 Q808	I358-P805 HydrophobicContact CG2-CB 4.16Å; I358-P805 HydrophobicContact CG2-CG 4.03Å; F359-P805 CarbonylContact O-C 3.59Å; F359-P805 WeakPolarHBondContact O-CA 3.4Å; V803-P805 WeakPolarHBondContact O-CD 3.42Å; P805-G807 PolarHBondContact O-N 3.21Å; P805-Q808 HydrophobicContact CB-CG 4.26Å; P805-Q808 HydrophobicContact CG-CG 4.3Å
806	F	66.5	Low	62.8	Low	96 Å²	96	61.9 Å²	61.9	42%	0.421	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	132.7	162.5	-57.7	-68.1	0	0	0	108.4	P352 F359 V361	P352-F806 HydrophobicContact CG-CD2 4.03Å; P352-F806 HydrophobicContact CG-CG 4.43Å; F359-F806 VanDerWaalsContact C-CD2 3.49Å; F359-F806 HydrophobicContact CB-CD2 4.08Å; F359-F806 WeakPolarHBondContact O-CD2 3.24Å; F359-F806 PolarHBondContact O-N 3.16Å; V361-F806 HydrophobicContact CG2-CD1 4.4Å; V361-F806 HydrophobicContact CG2-CE1 3.43Å; V361-F806 VanDerWaalsContact CG2-CE1 3.43Å; V361-F806 HydrophobicContact CG2-CE2 4.32Å; V361-F806 HydrophobicContact CG2-CZ 3.39Å
807	G	51.9	Low	62.2	Low	66 Å²	66	62.7 Å²	62.7	68%	0.68	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	99	-7	174.3	0	0	0	0	0	117.2	P805 S809	P805-G807 PolarHBondContact O-N 3.21Å; G807-S809 PolarHBondContact O-N 2.75Å
808	Q	41.7	Very low	61.6	Low	83 Å²	83	66.6 Å²	66.6	39%	0.388	39%	0.389	S	S	.	.			trans	-72.8	37.3	172.8	-78.3	-163.1	-0.6	0	0	114.4	N407 G408 P805 S810	N407-Q808 CarbonylContact C-O 3.56Å; N407-Q808 VanDerWaalsContact C-O 3.24Å; G408-Q808 WeakPolarHBondContact CA-O 3.42Å; G408-Q808 PolarHBondContact N-O 2.73Å; P805-Q808 HydrophobicContact CB-CG 4.26Å; P805-Q808 HydrophobicContact CG-CG 4.3Å; Q808-S810 PolarHBondContact O-N 3.3Å
809	S	28	Very low	60.2	Low	55 Å²	55	68.3 Å²	68.3	39%	0.385	41%	0.405	S	S	.	.	S	Bend	trans	-85.2	81	163.9	56.8	0	0	0	0	110.1	G807 S811	G807-S809 PolarHBondContact O-N 2.75Å; S809-S811 PolarHBondContact O-N 2.8Å
810	S	25.6	Very low	58.2	Low	87 Å²	87	72.7 Å²	72.7	61%	0.608	43%	0.431	S	S	*	.			trans	29.1	84.3	156.6	60.9	0	0	0	0	117	Q808 V812	Q808-S810 PolarHBondContact O-N 3.3Å; S810-V812 PolarHBondContact O-N 2.77Å; S810-V812 VanDerWaalsContact O-N 3.09Å
811	S	22.2	Very low	55.7	Low	124 Å²	124	78.1 Å²	78.1	87%	0.867	46%	0.462	S	S	*	.			trans	-77.2	76.8	152.3	58.8	0	0	0	0	108.6	S809	S809-S811 PolarHBondContact O-N 2.8Å
812	V	23.1	Very low	52.5	Low	126 Å²	126	82.6 Å²	82.6	76%	0.764	49%	0.49	S	S	*	.			trans	-110.1	90.2	169.2	179.7	0	0	0	0	107.5	S810	S810-V812 PolarHBondContact O-N 2.77Å; S810-V812 VanDerWaalsContact O-N 3.09Å
813	H	23.8	Very low	48.9	Very low	271 Å²	271	88.6 Å²	88.6	100%	1.255	53%	0.525	S	S	*	.			trans	-146	0	160.2	-89.9	-45.8	0	0	0	108

Retrieved 813 of 813 residues in 148.6 ms (Link to these results)

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