A0A087XDU6_POEFO Loading...

Zinc phosphodiesterase ELAC protein 2

Zinc phosphodiesterase, which displays mitochondrial tRNA 3'-processing endonuclease activity. Involved in tRNA maturation, by removing a 3'-trailer from precursor tRNA. Associates with mitochondrial DNA complexes at the nucleoids to initiate RNA processing and ribosome assembly.

AlphaFold DB , UniProt , Accession A0A087XDU6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 808 aa.

						>A0A087XDU6_POEFO|A0A087XDU6
MATSGNQFSAKRPQKEPLRRLKTKESRDKRGDVHGPSNVYVQVVGAGSRDSNASLYVFSEYNRYLFNCGEGTQRLMQEHKLKAARLDNIFLTRLSWENVGGLSGMILTLKETGVPECVLSGPPQLKNYLHAIKSFSGPLEAIKLSVRPYTEEMHKDETMTVYQVPIFAKSGIDRGRNSPQAGRSSPSHRSPKRGGLQHTGEEESVSGLNCLFCVSGERSAVARDSSLVIAFVCKLHPKKGNFLVAKAKDLGLPVGTAEIGPLIRALKNGETIMHDGKEIRPEQVCTPIDPGPVFLVLECPSEDFLPALCSNQQLRRFQDGGTEDPAVLVVHMTPESVLETDQYKEWMERFPSSTEHLILNEHVSTVHNVRSHKIQTQLNMIHPHIFPLLRAARATEPQAALHVPNVRAECLLKFQLRPVMEWQRDAVPSCNTEEFVKEASEIPNFLEEVEKCRTASAEGSGPADGFPHVVFLGTGSAIPMKTRNVSGTLVNIVCSSSQSLLLDCGEGTFSQLCRHYGNAVDQALSRISAVFISHLHADHHTGLIKLLQQRQRALANLGIPFSPVYLVAPVQILAWLGQYHDFCEEILHHFSHIPSRSLCDDADVSKLKPDSSLQSMLRTTSLQQFRTCLVRHCRNAFACSFVHQSGWKLAFSGDTMPCDAFVHIGNEATLLIHEATLEDELLEQAVEKRHSTTSQAIGIGMKMNADFIMLNHFSQRYAKIPLFSEDFSDKVGISFDHMKVSFRDFKTLPKLTAALKTLFAEELEEMEEQRELRSRRGGGCSPVMQAGAKRGQQGAPLHSGDSKRLKSS
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	29.6	Very low	26.5	Very low	242 Å²	242	144.8 Å²	144.8	100%	1.192	85%	0.851	S	S	*	*				0	115.9	0	-80.6	179.7	179.3	0	0	108.1
2	A	27.6	Very low	26.4	Very low	95 Å²	95	152.1 Å²	152.1	79%	0.785	85%	0.853	S	S	*	*			trans	55.1	128.7	145.1	0	0	0	0	0	118.3
3	T	25.9	Very low	26.3	Very low	137 Å²	137	149.6 Å²	149.6	84%	0.84	85%	0.847	S	S	*	*			cis	-155.4	136.6	25.3	39.9	0	0	0	0	111.2
4	S	26.1	Very low	26.6	Very low	122 Å²	122	152 Å²	152	85%	0.853	85%	0.848	S	S	*	*			trans	-71.7	123.9	170.5	49.3	0	0	0	0	112.4
5	G	24	Very low	26.8	Very low	79 Å²	79	156.1 Å²	156.1	81%	0.814	85%	0.853	S	S	*	*			trans	-108.6	98.7	167.7	0	0	0	0	0	110.5	Q7	G5-Q7 PolarHBondContact O-N 3.4Å
6	N	26	Very low	27.3	Very low	139 Å²	139	155.3 Å²	155.3	74%	0.743	84%	0.842	S	S	*	*			trans	-83	100.1	-179.6	-151.3	11.6	0	0	0	108.9	F8	N6-F8 PolarHBondContact O-N 3.31Å
7	Q	25.3	Very low	28.2	Very low	193 Å²	193	150.6 Å²	150.6	90%	0.902	82%	0.821	S	S	*	*			trans	-93.1	91.9	170.3	-84.6	-172.9	-3	0	0	109.8	G5 S9	G5-Q7 PolarHBondContact O-N 3.4Å; Q7-S9 PolarHBondContact O-N 3.47Å
8	F	26.2	Very low	28.6	Very low	179 Å²	179	148.6 Å²	148.6	79%	0.785	81%	0.809	S	S	*	*			trans	-57.5	120.9	158.7	-87.2	-92.9	0	0	0	108.9	N6 A10	N6-F8 PolarHBondContact O-N 3.31Å; F8-A10 PolarHBondContact O-N 3.08Å; F8-A10 VanDerWaalsContact O-N 3.08Å
9	S	26.5	Very low	29	Very low	112 Å²	112	152.6 Å²	152.6	78%	0.783	81%	0.811	S	S	*	*			trans	-65.8	111.3	166.2	70.9	0	0	0	0	107.8	Q7 K11	Q7-S9 PolarHBondContact O-N 3.47Å; S9-K11 PolarHBondContact O-N 3.22Å
10	A	25.5	Very low	29.7	Very low	96 Å²	96	151.7 Å²	151.7	79%	0.793	80%	0.796	S	S	*	*			trans	-62.4	105.8	174.1	0	0	0	0	0	107.8	F8 R12	F8-A10 PolarHBondContact O-N 3.08Å; F8-A10 VanDerWaalsContact O-N 3.08Å; A10-R12 PolarHBondContact O-N 3.3Å
11	K	28.6	Very low	29.9	Very low	199 Å²	199	149 Å²	149	87%	0.865	78%	0.781	S	S	*	*			trans	-50.4	114.5	165.9	-79	-178.4	176.4	178.6	0	107	S9	S9-K11 PolarHBondContact O-N 3.22Å
12	R	25.4	Very low	30	Very low	232 Å²	232	144.2 Å²	144.2	88%	0.875	75%	0.754	S	S	*	*	P	Polyproline II helix	trans	-49.9	128.6	168.3	-84.4	178.9	170.7	177.9	-2.2	107.2	A10 Q14	A10-R12 PolarHBondContact O-N 3.3Å; R12-Q14 PolarHBondContact O-N 3.26Å
13	P	24.8	Very low	30.7	Very low	120 Å²	120	142.6 Å²	142.6	78%	0.779	73%	0.734	S	S	*	*	P	Polyproline II helix	trans	-58.7	118.9	176.7	24.1	-31.2	0	0	0	107.1	K15	P13-K15 PolarHBondContact O-N 3.32Å; P13-K15 VanDerWaalsContact O-N 3.13Å
14	Q	31.3	Very low	31.3	Very low	183 Å²	183	142.1 Å²	142.1	86%	0.855	72%	0.72	S	S	*	*	P	Polyproline II helix	trans	-52.2	123.7	165.5	-79.1	-173.4	-24.1	0	0	105.9	R12 E16	R12-Q14 PolarHBondContact O-N 3.26Å; Q14-E16 PolarHBondContact O-N 3.48Å
15	K	28.9	Very low	31.7	Very low	213 Å²	213	141.7 Å²	141.7	93%	0.926	71%	0.705	S	S	*	*			trans	-62.1	92.3	170.6	-81.3	178.6	175.1	174.6	0	106.9	P13	P13-K15 PolarHBondContact O-N 3.32Å; P13-K15 VanDerWaalsContact O-N 3.13Å
16	E	34.8	Very low	32.4	Very low	144 Å²	144	141 Å²	141	67%	0.673	69%	0.687	S	S	*	*			trans	-47.9	154.2	161.2	-89.5	-172.8	153.1	0	0	109.6	Q14 L18	Q14-E16 PolarHBondContact O-N 3.48Å; E16-L18 PolarHBondContact O-N 2.9Å
17	P	43.5	Very low	33.4	Very low	76 Å²	76	138.5 Å²	138.5	49%	0.494	67%	0.668	S	S	.	*			trans	-78.3	58.8	-173.1	35.6	-36.2	0	0	0	111.2	R19 R20 L21	P17-R19 PolarHBondContact O-N 2.95Å; P17-R20 HydrophobicContact CB-CB 4.27Å; P17-R20 PolarHBondContact O-N 3.45Å; P17-L21 PolarHBondContact O-N 2.71Å
18	L	34.8	Very low	34	Very low	114 Å²	114	135.3 Å²	135.3	60%	0.597	66%	0.657	S	S	*	*	H	α-helix	trans	-55.4	-22	173.9	-78	159.4	0	0	0	112.4	E16 K22	E16-L18 PolarHBondContact O-N 2.9Å; L18-K22 WeakPolarHBondContact O-CB 3.5Å; L18-K22 WeakPolarHBondContact O-CG 3.41Å; L18-K22 PolarHBondContact O-N 3.19Å
19	R	36.1	Very low	34.4	Very low	225 Å²	225	135.5 Å²	135.5	85%	0.849	66%	0.657	S	S	*	*	H	α-helix	trans	-74.9	-32.7	173.9	-131	177.7	-174.4	-178	1.6	112.7	P17 T23	P17-R19 PolarHBondContact O-N 2.95Å; R19-T23 PolarHBondContact O-N 3.34Å; R19-T23 PolarHBondContact O-OG1 3Å
20	R	42.6	Very low	35.2	Very low	134 Å²	134	139.9 Å²	139.9	51%	0.506	66%	0.657	S	S	.	*	H	α-helix	trans	-85.1	-40.2	-178.9	-84.5	-176.5	172.9	177.6	-1	113.1	P17 K22 T23 K24 G113	P17-R20 HydrophobicContact CB-CB 4.27Å; P17-R20 PolarHBondContact O-N 3.45Å; R20-K22 VanDerWaalsContact C-N 3.28Å; R20-K22 PolarHBondContact O-N 3.16Å; R20-T23 WeakPolarHBondContact O-CA 3.49Å; R20-T23 PolarHBondContact O-N 3.02Å; R20-K24 PolarHBondContact O-N 3.5Å; R20-G113 PolarHBondContact NH1-O 2.98Å
21	L	34.9	Very low	35.8	Very low	94 Å²	94	139.2 Å²	139.2	49%	0.492	66%	0.659	S	S	.	*	H	α-helix	trans	-57.2	-45.2	170.3	-90.8	153.5	0	0	0	110.2	P17 T23 K24 E25	P17-L21 PolarHBondContact O-N 2.71Å; L21-T23 PolarHBondContact O-N 3.3Å; L21-K24 PolarHBondContact O-N 2.94Å; L21-E25 VanDerWaalsContact O-CB 3.29Å; L21-E25 WeakPolarHBondContact O-CB 3.36Å; L21-E25 WeakPolarHBondContact O-CG 3.33Å; L21-E25 PolarHBondContact O-N 3.33Å
22	K	31.3	Very low	36.6	Very low	143 Å²	143	133.6 Å²	133.6	62%	0.622	64%	0.638	S	S	*	*	H	α-helix	trans	-60.4	-29.7	172.1	-77.1	-178.2	178.1	-174.7	0	114.2	L18 R20 S26	L18-K22 WeakPolarHBondContact O-CB 3.5Å; L18-K22 WeakPolarHBondContact O-CG 3.41Å; L18-K22 PolarHBondContact O-N 3.19Å; R20-K22 VanDerWaalsContact C-N 3.28Å; R20-K22 PolarHBondContact O-N 3.16Å; K22-S26 WeakPolarHBondContact O-CB 3.37Å; K22-S26 PolarHBondContact O-N 3.24Å; K22-S26 PolarHBondContact O-OG 3.46Å
23	T	41.5	Very low	37.9	Very low	61 Å²	61	126.2 Å²	126.2	37%	0.374	62%	0.619	S	S	.	*	H	α-helix	trans	-76.2	-41.9	177.3	-36.6	0	0	0	0	110.7	R19 R20 L21 S26 R27	R19-T23 PolarHBondContact O-N 3.34Å; R19-T23 PolarHBondContact O-OG1 3Å; R20-T23 WeakPolarHBondContact O-CA 3.49Å; R20-T23 PolarHBondContact O-N 3.02Å; L21-T23 PolarHBondContact O-N 3.3Å; T23-S26 PolarHBondContact O-N 2.91Å; T23-S26 PolarHBondContact O-OG 2.65Å; T23-R27 WeakPolarHBondContact O-CB 3.47Å; T23-R27 VanDerWaalsContact O-CD 3.24Å; T23-R27 WeakPolarHBondContact O-CD 3.31Å; T23-R27 WeakPolarHBondContact O-CG 3.1Å; T23-R27 PolarHBondContact O-N 3.44Å; T23-R27 VanDerWaalsContact O-N 3.07Å
24	K	40.2	Very low	40.1	Very low	126 Å²	126	123.1 Å²	123.1	55%	0.548	59%	0.594	S	S	.	*	H	α-helix	trans	-69.7	-44	177	-154.8	174.7	-179.7	179.7	0	111.5	R20 L21 S26 R27 D28	R20-K24 PolarHBondContact O-N 3.5Å; L21-K24 PolarHBondContact O-N 2.94Å; K24-S26 PolarHBondContact O-N 3.47Å; K24-R27 WeakPolarHBondContact O-CA 3.49Å; K24-R27 WeakPolarHBondContact O-CB 3.47Å; K24-R27 PolarHBondContact O-N 2.56Å; K24-D28 PolarHBondContact O-N 3.1Å
25	E	34.4	Very low	42.3	Very low	114 Å²	114	114.4 Å²	114.4	53%	0.533	55%	0.553	S	S	.	*	H	α-helix	trans	-67.7	-30.3	173	-70.9	178.4	153	0	0	113.5	L21 R27 K29	L21-E25 VanDerWaalsContact O-CB 3.29Å; L21-E25 WeakPolarHBondContact O-CB 3.36Å; L21-E25 WeakPolarHBondContact O-CG 3.33Å; L21-E25 PolarHBondContact O-N 3.33Å; E25-R27 VanDerWaalsContact C-N 3.29Å; E25-K29 WeakPolarHBondContact O-CG 3.26Å
26	S	37.6	Very low	45.2	Very low	63 Å²	63	104.2 Å²	104.2	44%	0.441	51%	0.509	S	S	.	.	H	α-helix	trans	-74.8	-20.1	170.1	79.6	0	0	0	0	113.1	K22 T23 K24	K22-S26 WeakPolarHBondContact O-CB 3.37Å; K22-S26 PolarHBondContact O-N 3.24Å; K22-S26 PolarHBondContact O-OG 3.46Å; T23-S26 PolarHBondContact O-N 2.91Å; T23-S26 PolarHBondContact O-OG 2.65Å; K24-S26 PolarHBondContact O-N 3.47Å
27	R	46.4	Very low	47.7	Very low	88 Å²	88	99 Å²	99	33%	0.332	49%	0.488	S	S	.	.	H	α-helix	trans	-83.1	-42.3	179.6	-79.6	164.7	175.5	-161.9	-10.4	111.1	T23 K24 E25 K29 R30	T23-R27 WeakPolarHBondContact O-CB 3.47Å; T23-R27 VanDerWaalsContact O-CD 3.24Å; T23-R27 WeakPolarHBondContact O-CD 3.31Å; T23-R27 WeakPolarHBondContact O-CG 3.1Å; T23-R27 PolarHBondContact O-N 3.44Å; T23-R27 VanDerWaalsContact O-N 3.07Å; K24-R27 WeakPolarHBondContact O-CA 3.49Å; K24-R27 WeakPolarHBondContact O-CB 3.47Å; K24-R27 PolarHBondContact O-N 2.56Å; E25-R27 VanDerWaalsContact C-N 3.29Å; R27-K29 PolarHBondContact O-N 2.84Å; R27-R30 PolarHBondContact O-N 3.03Å
28	D	39.3	Very low	50	Low	125 Å²	125	98.4 Å²	98.4	67%	0.668	48%	0.481	S	S	*	.	H	α-helix	trans	-63.4	-22.6	173.2	-69.6	-24.9	0	0	0	112.8	K24 R30	K24-D28 PolarHBondContact O-N 3.1Å; D28-R30 VanDerWaalsContact C-N 3.32Å
29	K	34.3	Very low	53	Low	183 Å²	183	93 Å²	93	80%	0.796	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-10.2	174.7	-75.8	-178.2	179.6	-176.8	0	114.5	E25 R27 G31	E25-K29 WeakPolarHBondContact O-CG 3.26Å; R27-K29 PolarHBondContact O-N 2.84Å; K29-G31 PolarHBondContact O-N 3.26Å
30	R	42	Very low	55.9	Low	205 Å²	205	84.5 Å²	84.5	77%	0.774	42%	0.421	S	S	*	.			trans	-92.3	80.7	172.2	-70.5	-175.2	179.2	-167.9	-1.2	108.5	R27 D28 D32	R27-R30 PolarHBondContact O-N 3.03Å; D28-R30 VanDerWaalsContact C-N 3.32Å; R30-D32 PolarHBondContact O-N 3.38Å
31	G	38.7	Very low	58.5	Low	81 Å²	81	78.2 Å²	78.2	84%	0.835	40%	0.397	S	S	*	.			trans	-65.2	19.8	173.9	0	0	0	0	0	115.1	K29	K29-G31 PolarHBondContact O-N 3.26Å
32	D	45.9	Very low	61.5	Low	82 Å²	82	74.2 Å²	74.2	44%	0.439	38%	0.376	S	S	.	.	S	Bend	trans	-128.1	94.1	-178.7	-157.7	21.3	0	0	0	108.6	R30 H34 K239	R30-D32 PolarHBondContact O-N 3.38Å; D32-H34 PolarHBondContact O-N 3.24Å; D32-K239 WeakPolarHBondContact OD1-CE 3.4Å; D32-K239 IonicContact OD1-NZ 2.94Å; D32-K239 PolarHBondContact OD1-NZ 2.92Å; D32-K239 IonicContact OD2-NZ 3.42Å; D32-K239 PolarHBondContact OD2-NZ 3.5Å
33	V	52	Low	64.6	Low	76 Å²	76	67.5 Å²	67.5	46%	0.461	35%	0.347	S	S	.	.			trans	-76	90.8	-174.2	-169.6	0	0	0	0	108.7	G35 H236	V33-G35 PolarHBondContact O-N 2.81Å; V33-H236 HydrophobicContact CG1-CB 4.49Å; V33-H236 VanDerWaalsContact CG1-ND1 3.25Å; V33-H236 WeakPolarHBondContact CG1-ND1 3.28Å
34	H	70.7	Confident	67.2	Low	55 Å²	55	64.6 Å²	64.6	26%	0.255	33%	0.329	S	S	.	.			trans	-81.5	111.3	168	-174.5	75	0	0	0	108.6	D32 K238 K239	D32-H34 PolarHBondContact O-N 3.24Å; H34-K238 WeakPolarHBondContact CE1-CG 3.39Å; H34-K238 WeakPolarHBondContact NE2-CE 3.5Å; H34-K238 WeakPolarHBondContact NE2-CG 3.28Å; H34-K239 PolarHBondContact CE1-O 3.46Å; H34-K239 PolarHBondContact ND1-N 2.63Å
35	G	78.7	Confident	69.8	Low	0 Å²	0	58.6 Å²	58.6	0%	0	30%	0.303	C	S	.	.			trans	-54.1	153.9	176.8	0	0	0	0	0	112.8	V33 P237	V33-G35 PolarHBondContact O-N 2.81Å; G35-P237 PolarHBondContact N-O 2.96Å
36	P	89.1	Confident	72.6	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	28%	0.278	C	S	.	.			trans	-65.2	150.1	-174.7	25.8	-35	0	0	0	112.4	V39 E60 Y61 T158 R417	P36-V39 HydrophobicContact CB-CG2 3.91Å; P36-V39 HydrophobicContact CG-CG2 3.35Å; P36-E60 HydrophobicContact CB-CG 4.28Å; P36-Y61 HydrophobicContact CB-CD2 3.89Å; P36-Y61 HydrophobicContact CB-CE2 3.8Å; P36-T158 HydrophobicContact CG-CG2 3.97Å; P36-R417 WeakPolarHBondContact O-CD 3.47Å; P36-R417 PolarHBondContact O-NH1 3.35Å; P36-R417 VanDerWaalsContact O-NH1 3.11Å
37	S	88.1	Confident	75.2	Confident	34 Å²	34	50.8 Å²	50.8	24%	0.238	26%	0.263	C	S	.	.	S	Bend	trans	-79.4	-30.7	177.6	-59.4	0	0	0	0	113.3	E60 K238 R417	S37-E60 WeakPolarHBondContact CB-OE1 3.19Å; S37-E60 PolarHBondContact N-OE1 2.99Å; S37-E60 PolarHBondContact OG-OE1 2.82Å; S37-K238 PolarHBondContact OG-NZ 3.46Å; S37-R417 WeakPolarHBondContact O-CB 3.47Å
38	N	92.4	Very high	77.3	Confident	64 Å²	64	47 Å²	47	34%	0.342	25%	0.25	S	C	.	.			trans	-130	129	179.6	-57.8	-68.7	0	0	0	109	Y40 S59	N38-Y40 HydrophobicContact CB-CE2 3.83Å; N38-S59 WeakPolarHBondContact O-CA 3.45Å; N38-S59 WeakPolarHBondContact O-CB 3.49Å
39	V	95.9	Very high	79.5	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	132.5	173.3	-175.9	0	0	0	0	108.6	P36 V57 T158 L235 L416 R417	P36-V39 HydrophobicContact CB-CG2 3.91Å; P36-V39 HydrophobicContact CG-CG2 3.35Å; V39-V57 HydrophobicContact CG1-CG1 4.3Å; V39-T158 HydrophobicContact CG2-CG2 4.49Å; V39-L235 HydrophobicContact CB-CD1 3.86Å; V39-L235 HydrophobicContact CG1-CD1 3.99Å; V39-L235 HydrophobicContact CG1-CD2 4.05Å; V39-L235 HydrophobicContact CG2-CD1 3.79Å; V39-L235 HydrophobicContact CG2-CD2 4.43Å; V39-L416 HydrophobicContact CB-CB 4.25Å; V39-L416 HydrophobicContact CG1-CB 4.43Å; V39-L416 HydrophobicContact CG1-CD1 4.09Å; V39-L416 PolarHBondContact O-N 2.93Å; V39-R417 PolarHBondContact N-O 3.2Å; V39-R417 PolarHBondContact O-N 3.36Å
40	Y	97	Very high	82.1	Confident	47 Å²	47	36.2 Å²	36.2	18%	0.184	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	139.7	-179.7	-56.8	-89.5	0	0	0	110	N38 V57 F58 F414 Q415	N38-Y40 HydrophobicContact CB-CE2 3.83Å; Y40-V57 VanDerWaalsContact O-CA 3.31Å; Y40-V57 WeakPolarHBondContact O-CA 3.28Å; Y40-V57 WeakPolarHBondContact O-CG1 3.43Å; Y40-F58 HydrophobicContact CD2-CD2 4.01Å; Y40-F58 HydrophobicContact CD2-CE1 4.43Å; Y40-F58 AromaticContact CD2-CE2 3.39Å; Y40-F58 HydrophobicContact CD2-CE2 3.39Å; Y40-F58 AromaticContact CD2-CZ 3.65Å; Y40-F58 HydrophobicContact CD2-CZ 3.65Å; Y40-F58 HydrophobicContact CE2-CE2 4.05Å; Y40-F58 HydrophobicContact CE2-CZ 4.49Å; Y40-F58 HydrophobicContact CG-CE1 4.29Å; Y40-F58 HydrophobicContact CG-CE2 4.01Å; Y40-F58 AromaticContact CG-CZ 3.77Å; Y40-F58 HydrophobicContact CG-CZ 3.77Å; Y40-F58 PolarHBondContact N-O 2.97Å; Y40-F58 VanDerWaalsContact N-O 3.08Å; Y40-F58 PolarHBondContact O-N 3.34Å; Y40-F414 WeakPolarHBondContact CA-O 3.38Å; Y40-Q415 HydrophobicContact CD1-CB 3.93Å; Y40-Q415 HydrophobicContact CD1-CG 3.9Å; Y40-Q415 HydrophobicContact CE1-CB 3.93Å; Y40-Q415 HydrophobicContact CE1-CG 3.57Å; Y40-Q415 PolarHBondContact OH-NE2 2.86Å
41	V	97.8	Very high	84.4	Confident	2 Å²	2	26.7 Å²	26.7	1%	0.012	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	117.8	164	-179	0	0	0	0	106.8	V57 F294 L328 K413 F414 L416	V41-V57 HydrophobicContact CB-CG2 4.46Å; V41-V57 HydrophobicContact CG1-CG2 4.25Å; V41-V57 HydrophobicContact CG2-CG1 4.49Å; V41-V57 HydrophobicContact CG2-CG2 4.13Å; V41-F294 HydrophobicContact CG2-CD2 4.33Å; V41-F294 HydrophobicContact CG2-CE1 4.48Å; V41-F294 HydrophobicContact CG2-CE2 4.24Å; V41-F294 HydrophobicContact CG2-CG 4.5Å; V41-F294 HydrophobicContact CG2-CZ 4.31Å; V41-L328 HydrophobicContact CB-CD2 4.17Å; V41-L328 HydrophobicContact CG1-CD2 4.14Å; V41-L328 HydrophobicContact CG2-CD2 4.15Å; V41-K413 CarbonylContact O-C 3.45Å; V41-K413 WeakPolarHBondContact O-CA 3.3Å; V41-F414 HydrophobicContact CB-CB 4.49Å; V41-F414 PolarHBondContact N-O 3.45Å; V41-F414 PolarHBondContact O-N 3.07Å; V41-L416 HydrophobicContact CG2-CD1 3.65Å; V41-L416 HydrophobicContact CG2-CG 4.25Å
42	Q	97.6	Very high	87	Confident	10 Å²	10	23.5 Å²	23.5	5%	0.047	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	133.5	-176	-173.6	166	31.9	0	0	111.4	L55 Y56 F58 L411 L412 K413	Q42-L55 WeakPolarHBondContact O-CA 3.45Å; Q42-Y56 WeakPolarHBondContact CB-O 3.46Å; Q42-Y56 PolarHBondContact N-O 3.31Å; Q42-Y56 PolarHBondContact O-N 3.18Å; Q42-F58 HydrophobicContact CB-CE1 4.15Å; Q42-L411 PolarHBondContact NE2-O 3.4Å; Q42-L412 WeakPolarHBondContact CA-O 3.3Å; Q42-K413 HydrophobicContact CB-CG 3.84Å; Q42-K413 HydrophobicContact CG-CD 4.43Å; Q42-K413 HydrophobicContact CG-CG 3.58Å
43	V	97.6	Very high	89.3	Confident	1 Å²	1	20.5 Å²	20.5	1%	0.006	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	127.5	172.4	178.3	0	0	0	0	109.7	A46 L55 L357 A408 E409 L411 L412	V43-A46 HydrophobicContact CG1-CB 4.09Å; V43-L55 HydrophobicContact CG2-CD2 4.14Å; V43-L357 HydrophobicContact CG2-CD1 4.44Å; V43-L357 HydrophobicContact CG2-CD2 3.92Å; V43-A408 HydrophobicContact CG1-CB 4.23Å; V43-A408 HydrophobicContact CG2-CB 4.14Å; V43-E409 VanDerWaalsContact CB-O 3.29Å; V43-E409 WeakPolarHBondContact CB-O 3.42Å; V43-E409 WeakPolarHBondContact CG1-O 3.49Å; V43-L411 VanDerWaalsContact O-CA 3.27Å; V43-L411 WeakPolarHBondContact O-CA 3.44Å; V43-L411 PolarHBondContact O-N 3.34Å; V43-L412 HydrophobicContact CG2-CB 4.26Å; V43-L412 PolarHBondContact N-O 3.21Å
44	V	95.4	Very high	91.5	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	-65.3	171.2	-178.7	0	0	0	0	109	S54 Y56 T72 L75 M76 L81	V44-S54 PolarHBondContact N-O 2.79Å; V44-Y56 HydrophobicContact CG2-CG 4.41Å; V44-T72 HydrophobicContact CG1-CG2 4.18Å; V44-L75 HydrophobicContact CG1-CB 3.87Å; V44-L75 HydrophobicContact CG1-CD1 4.44Å; V44-M76 HydrophobicContact CG1-CG 4.11Å; V44-L81 HydrophobicContact CG1-CD1 4.37Å; V44-L81 HydrophobicContact CG2-CD1 3.8Å
45	G	94.8	Very high	92.8	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	135.1	171	0	0	0	0	0	110.1	N52 A53 S54 L359	G45-N52 CarbonylContact C-O 3.59Å; G45-N52 VanDerWaalsContact CA-O 3.24Å; G45-N52 WeakPolarHBondContact CA-O 3.45Å; G45-A53 WeakPolarHBondContact O-CA 3.42Å; G45-S54 PolarHBondContact N-O 3.43Å; G45-S54 PolarHBondContact N-OG 3.21Å; G45-S54 PolarHBondContact O-N 2.9Å; G45-L359 WeakPolarHBondContact O-CD2 3Å
46	A	93.5	Very high	93.7	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	8%	0.079	C	C	.	.			trans	-92.5	-1	-166.1	0	0	0	0	0	113.7	V43 S48 L359 N360 V363 T365 H367 A408	V43-A46 HydrophobicContact CG1-CB 4.09Å; A46-S48 VanDerWaalsContact C-N 3.33Å; A46-L359 CarbonylContact O-C 3.57Å; A46-L359 VanDerWaalsContact O-CA 3.26Å; A46-L359 WeakPolarHBondContact O-CA 3.39Å; A46-L359 WeakPolarHBondContact O-CB 3.3Å; A46-N360 PolarHBondContact O-N 3.43Å; A46-V363 HydrophobicContact CB-CG1 3.74Å; A46-T365 HydrophobicContact CB-CG2 3.55Å; A46-H367 WeakPolarHBondContact CB-NE2 3.39Å; A46-H367 PolarHBondContact N-NE2 3.01Å; A46-A408 HydrophobicContact CB-CB 4.07Å
47	G	91.8	Very high	94	Very high	13 Å²	13	14.6 Å²	14.6	13%	0.134	8%	0.079	C	C	.	.			trans	84	5.4	-175.4	0	0	0	0	0	114.1	S51 N360 E361	G47-S51 CarbonylContact C-O 3.57Å; G47-S51 WeakPolarHBondContact CA-O 3.45Å; G47-S51 PolarHBondContact N-O 3.34Å; G47-S51 VanDerWaalsContact N-O 3.1Å; G47-N360 VanDerWaalsContact C-C 3.47Å; G47-N360 CarbonylContact C-O 3.47Å; G47-N360 CarbonylContact O-C 3.57Å; G47-E361 WeakPolarHBondContact O-CA 3.43Å; G47-E361 PolarHBondContact O-N 3.36Å; G47-E361 VanDerWaalsContact O-N 3.14Å
48	S	90.1	Very high	94.4	Very high	8 Å²	8	15 Å²	15	6%	0.056	8%	0.077	C	C	.	.			trans	-61.5	163.4	176.2	63.6	0	0	0	0	111.3	A46 D50 S51 N360 V363 H367	A46-S48 VanDerWaalsContact C-N 3.33Å; S48-D50 PolarHBondContact O-N 2.95Å; S48-D50 PolarHBondContact OG-OD1 3.49Å; S48-S51 PolarHBondContact N-O 3.5Å; S48-S51 CarbonylContact O-C 3.44Å; S48-S51 PolarHBondContact O-N 2.86Å; S48-S51 WeakPolarHBondContact OG-CB 3.23Å; S48-N360 PolarHBondContact N-O 3.23Å; S48-V363 VanDerWaalsContact CB-O 3.27Å; S48-V363 WeakPolarHBondContact CB-O 3.33Å; S48-H367 PolarHBondContact OG-CE1 2.8Å
49	R	87.3	Confident	94.5	Very high	55 Å²	55	12.2 Å²	12.2	21%	0.208	6%	0.062	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55	-29.3	-178.4	-168.8	169.5	177.2	177.3	-3.6	114.2	F509 V520 D521 R552	R49-F509 HydrophobicContact CG-CZ 4.22Å; R49-F509 WeakPolarHBondContact O-CE1 3.26Å; R49-V520 VanDerWaalsContact NH2-CG1 3.26Å; R49-D521 IonicContact CZ-OD1 2.61Å; R49-D521 IonicContact CZ-OD2 3.69Å; R49-D521 IonicContact NH1-OD2 3.36Å; R49-D521 PolarHBondContact NH1-OD2 2.84Å; R49-D521 IonicContact NH2-OD1 3.69Å; R49-D521 PolarHBondContact NH2-OD1 3.44Å; R49-D521 IonicContact NH2-OD2 2.73Å; R49-D521 PolarHBondContact NH2-OD2 2.93Å; R49-R552 VanDerWaalsContact NH2-NH2 3.12Å
50	D	87.1	Confident	94.1	Very high	28 Å²	28	16.2 Å²	16.2	15%	0.15	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.1	-1.5	178.6	73.6	-45.3	0	0	0	114.2	S48 S510 C513 R514	S48-D50 PolarHBondContact O-N 2.95Å; S48-D50 PolarHBondContact OG-OD1 3.49Å; D50-S510 WeakPolarHBondContact O-CB 3.36Å; D50-S510 PolarHBondContact O-OG 3.34Å; D50-C513 HydrophobicContact CB-CB 3.8Å; D50-R514 IonicContact OD2-CZ 3.5Å; D50-R514 IonicContact OD2-NE 3.96Å; D50-R514 PolarHBondContact OD2-NE 3.14Å; D50-R514 IonicContact OD2-NH2 3.73Å; D50-R514 PolarHBondContact OD2-NH2 3.26Å
51	S	90.8	Very high	93.7	Very high	5 Å²	5	17 Å²	17	4%	0.035	8%	0.084	C	C	.	.	S	Bend	trans	-148.6	112.5	-174	-176.7	0	0	0	0	111.8	G47 S48 L75 H367	G47-S51 CarbonylContact C-O 3.57Å; G47-S51 WeakPolarHBondContact CA-O 3.45Å; G47-S51 PolarHBondContact N-O 3.34Å; G47-S51 VanDerWaalsContact N-O 3.1Å; S48-S51 PolarHBondContact N-O 3.5Å; S48-S51 CarbonylContact O-C 3.44Å; S48-S51 PolarHBondContact O-N 2.86Å; S48-S51 WeakPolarHBondContact OG-CB 3.23Å; S51-L75 WeakPolarHBondContact OG-CD1 3.42Å; S51-H367 WeakPolarHBondContact CB-CE1 3.46Å; S51-H367 PolarHBondContact OG-CD2 2.76Å; S51-H367 PolarHBondContact OG-NE2 3.41Å
52	N	93.1	Very high	93.4	Very high	13 Å²	13	17.2 Å²	17.2	7%	0.07	9%	0.085	C	C	.	.			trans	-66	151.5	-177.3	-62.8	-1.5	0	0	0	112.3	G45 S54 G69 E70 E97 K545	G45-N52 CarbonylContact C-O 3.59Å; G45-N52 VanDerWaalsContact CA-O 3.24Å; G45-N52 WeakPolarHBondContact CA-O 3.45Å; N52-S54 PolarHBondContact O-N 2.88Å; N52-G69 WeakPolarHBondContact ND2-CA 3.34Å; N52-E70 PolarHBondContact ND2-N 3.16Å; N52-E97 WeakPolarHBondContact CB-O 3.2Å; N52-E97 VanDerWaalsContact ND2-CA 3.32Å; N52-E97 WeakPolarHBondContact ND2-CA 3.07Å; N52-E97 PolarHBondContact ND2-O 3.24Å; N52-K545 PolarHBondContact OD1-NZ 3.46Å
53	A	95.6	Very high	93.3	Very high	19 Å²	19	18.2 Å²	18.2	16%	0.157	9%	0.089	C	C	.	.			trans	-65.4	126.1	179.4	0	0	0	0	0	111.8	G45 N67 M332 L359	G45-A53 WeakPolarHBondContact O-CA 3.42Å; A53-N67 WeakPolarHBondContact O-CB 3.14Å; A53-M332 HydrophobicContact CB-CB 4.46Å; A53-M332 HydrophobicContact CB-CE 4.5Å; A53-M332 HydrophobicContact CB-CG 4.01Å; A53-M332 HydrophobicContact CB-SD 3.89Å; A53-L359 HydrophobicContact CB-CB 3.94Å; A53-L359 HydrophobicContact CB-CD2 3.89Å
54	S	96.9	Very high	93.3	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	141.9	174.8	50.7	0	0	0	0	111.9	V44 G45 N52 F66 N67	V44-S54 PolarHBondContact N-O 2.79Å; G45-S54 PolarHBondContact N-O 3.43Å; G45-S54 PolarHBondContact N-OG 3.21Å; G45-S54 PolarHBondContact O-N 2.9Å; N52-S54 PolarHBondContact O-N 2.88Å; S54-F66 WeakPolarHBondContact CA-O 3.49Å; S54-N67 WeakPolarHBondContact CB-O 2.94Å
55	L	97.5	Very high	93.4	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	137.7	-179.3	-56.7	161.7	0	0	0	110.8	Q42 V43 L65 F66 V296 V330 M332 L357 L359	Q42-L55 WeakPolarHBondContact O-CA 3.45Å; V43-L55 HydrophobicContact CG2-CD2 4.14Å; L55-L65 CarbonylContact O-C 3.57Å; L55-L65 WeakPolarHBondContact O-CA 3.46Å; L55-F66 HydrophobicContact CB-CB 4.17Å; L55-F66 HydrophobicContact CD1-CB 4.47Å; L55-F66 PolarHBondContact N-O 3.12Å; L55-F66 PolarHBondContact O-N 3.05Å; L55-V296 HydrophobicContact CD1-CG1 3.82Å; L55-V296 HydrophobicContact CD1-CG2 3.93Å; L55-V330 HydrophobicContact CD1-CB 3.94Å; L55-V330 HydrophobicContact CD1-CG1 3.49Å; L55-V330 VanDerWaalsContact CD1-CG1 3.49Å; L55-V330 HydrophobicContact CD1-CG2 4.06Å; L55-V330 HydrophobicContact CD2-CG1 4.1Å; L55-V330 HydrophobicContact CG-CG1 4.31Å; L55-M332 HydrophobicContact CD1-CE 3.56Å; L55-M332 HydrophobicContact CG-CE 3.74Å; L55-L357 HydrophobicContact CD2-CD2 4.21Å; L55-L359 HydrophobicContact CD2-CD1 4.31Å; L55-L359 HydrophobicContact CD2-CD2 3.92Å; L55-L359 HydrophobicContact CG-CD2 4.33Å
56	Y	97.6	Very high	93.5	Very high	7 Å²	7	18.1 Å²	18.1	3%	0.027	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	113.9	176	175.4	-107.6	0	0	0	109.4	Q42 V44 F58 R63 Y64 M76 K82	Q42-Y56 WeakPolarHBondContact CB-O 3.46Å; Q42-Y56 PolarHBondContact N-O 3.31Å; Q42-Y56 PolarHBondContact O-N 3.18Å; V44-Y56 HydrophobicContact CG2-CG 4.41Å; Y56-F58 AromaticContact CD1-CD1 3.46Å; Y56-F58 HydrophobicContact CD1-CD1 3.46Å; Y56-F58 VanDerWaalsContact CD1-CD1 3.46Å; Y56-F58 AromaticContact CD1-CE1 4Å; Y56-F58 HydrophobicContact CD1-CE1 4Å; Y56-F58 HydrophobicContact CD1-CG 4.34Å; Y56-F58 HydrophobicContact CE1-CB 3.88Å; Y56-F58 AromaticContact CE1-CD1 3.22Å; Y56-F58 HydrophobicContact CE1-CD1 3.22Å; Y56-F58 AromaticContact CE1-CE1 3.87Å; Y56-F58 HydrophobicContact CE1-CE1 3.87Å; Y56-F58 AromaticContact CE1-CG 3.71Å; Y56-F58 HydrophobicContact CE1-CG 3.71Å; Y56-R63 HydrophobicContact CE2-CB 3.98Å; Y56-R63 HydrophobicContact CE2-CG 4.23Å; Y56-R63 WeakPolarHBondContact OH-CD 3.2Å; Y56-R63 WeakPolarHBondContact OH-CG 3.49Å; Y56-R63 PolarHBondContact OH-NE 2.87Å; Y56-Y64 WeakPolarHBondContact CA-O 3.45Å; Y56-Y64 WeakPolarHBondContact CD2-O 3.33Å; Y56-M76 HydrophobicContact CD2-CE 4.37Å; Y56-M76 HydrophobicContact CE2-CE 4.26Å; Y56-K82 PolarHBondContact OH-O 3.45Å
57	V	97.2	Very high	93.7	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	132.4	178.6	-177.6	0	0	0	0	108.2	V39 Y40 V41 R63 Y64 F66 M159 F294	V39-V57 HydrophobicContact CG1-CG1 4.3Å; Y40-V57 VanDerWaalsContact O-CA 3.31Å; Y40-V57 WeakPolarHBondContact O-CA 3.28Å; Y40-V57 WeakPolarHBondContact O-CG1 3.43Å; V41-V57 HydrophobicContact CB-CG2 4.46Å; V41-V57 HydrophobicContact CG1-CG2 4.25Å; V41-V57 HydrophobicContact CG2-CG1 4.49Å; V41-V57 HydrophobicContact CG2-CG2 4.13Å; V57-R63 CarbonylContact O-C 2.91Å; V57-R63 WeakPolarHBondContact O-CA 3.5Å; V57-Y64 HydrophobicContact CB-CD2 4.07Å; V57-Y64 HydrophobicContact CG1-CD2 4.11Å; V57-Y64 PolarHBondContact N-O 3.4Å; V57-Y64 WeakPolarHBondContact O-CD2 3.37Å; V57-Y64 PolarHBondContact O-N 3.3Å; V57-F66 HydrophobicContact CB-CE2 4.34Å; V57-F66 HydrophobicContact CG2-CD2 3.99Å; V57-F66 HydrophobicContact CG2-CE2 3.7Å; V57-M159 HydrophobicContact CG1-CE 4.07Å; V57-F294 HydrophobicContact CG1-CZ 4.19Å; V57-F294 HydrophobicContact CG2-CE2 4.27Å; V57-F294 HydrophobicContact CG2-CZ 4.07Å
58	F	95.8	Very high	93.9	Very high	42 Å²	42	17.5 Å²	17.5	18%	0.184	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	149.1	-178.4	65.2	-83.8	0	0	0	113.6	Y40 Q42 Y56 R63	Y40-F58 HydrophobicContact CD2-CD2 4.01Å; Y40-F58 HydrophobicContact CD2-CE1 4.43Å; Y40-F58 AromaticContact CD2-CE2 3.39Å; Y40-F58 HydrophobicContact CD2-CE2 3.39Å; Y40-F58 AromaticContact CD2-CZ 3.65Å; Y40-F58 HydrophobicContact CD2-CZ 3.65Å; Y40-F58 HydrophobicContact CE2-CE2 4.05Å; Y40-F58 HydrophobicContact CE2-CZ 4.49Å; Y40-F58 HydrophobicContact CG-CE1 4.29Å; Y40-F58 HydrophobicContact CG-CE2 4.01Å; Y40-F58 AromaticContact CG-CZ 3.77Å; Y40-F58 HydrophobicContact CG-CZ 3.77Å; Y40-F58 PolarHBondContact N-O 2.97Å; Y40-F58 VanDerWaalsContact N-O 3.08Å; Y40-F58 PolarHBondContact O-N 3.34Å; Q42-F58 HydrophobicContact CB-CE1 4.15Å; Y56-F58 AromaticContact CD1-CD1 3.46Å; Y56-F58 HydrophobicContact CD1-CD1 3.46Å; Y56-F58 VanDerWaalsContact CD1-CD1 3.46Å; Y56-F58 AromaticContact CD1-CE1 4Å; Y56-F58 HydrophobicContact CD1-CE1 4Å; Y56-F58 HydrophobicContact CD1-CG 4.34Å; Y56-F58 HydrophobicContact CE1-CB 3.88Å; Y56-F58 AromaticContact CE1-CD1 3.22Å; Y56-F58 HydrophobicContact CE1-CD1 3.22Å; Y56-F58 AromaticContact CE1-CE1 3.87Å; Y56-F58 HydrophobicContact CE1-CE1 3.87Å; Y56-F58 AromaticContact CE1-CG 3.71Å; Y56-F58 HydrophobicContact CE1-CG 3.71Å; F58-R63 HydrophobicContact CB-CG 3.91Å
59	S	94.2	Very high	94.1	Very high	6 Å²	6	17.1 Å²	17.1	4%	0.042	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	-174.5	173.6	76.8	0	0	0	0	110.7	N38 Y61 N62 T158	N38-S59 WeakPolarHBondContact O-CA 3.45Å; N38-S59 WeakPolarHBondContact O-CB 3.49Å; S59-Y61 PolarHBondContact O-N 2.95Å; S59-Y61 PolarHBondContact OG-N 2.97Å; S59-N62 PolarHBondContact N-O 3.35Å; S59-N62 PolarHBondContact OG-N 3.35Å; S59-N62 VanDerWaalsContact OG-N 3.1Å; S59-T158 PolarHBondContact OG-OG1 3.46Å
60	E	88.1	Confident	94.4	Very high	85 Å²	85	14.8 Å²	14.8	40%	0.397	7%	0.071	S	C	.	.	S	Bend	trans	-65.3	-22.5	169.3	58.2	-172.5	134.1	0	0	113.3	P36 S37 R85	P36-E60 HydrophobicContact CB-CG 4.28Å; S37-E60 WeakPolarHBondContact CB-OE1 3.19Å; S37-E60 PolarHBondContact N-OE1 2.99Å; S37-E60 PolarHBondContact OG-OE1 2.82Å; E60-R85 PolarHBondContact O-NH1 2.75Å
61	Y	87.8	Confident	94.6	Very high	62 Å²	62	14.2 Å²	14.2	24%	0.243	7%	0.072	C	C	.	.	S	Bend	trans	-97.7	-59.4	-175.5	-53.6	-47.2	0	0	0	111.7	P36 S59 R85 E157	P36-Y61 HydrophobicContact CB-CD2 3.89Å; P36-Y61 HydrophobicContact CB-CE2 3.8Å; S59-Y61 PolarHBondContact O-N 2.95Å; S59-Y61 PolarHBondContact OG-N 2.97Å; Y61-R85 WeakPolarHBondContact O-CD 2.94Å; Y61-R85 PolarHBondContact O-NH1 3.13Å; Y61-R85 VanDerWaalsContact O-NH1 3.15Å; Y61-E157 HydrophobicContact CD2-CB 4.24Å; Y61-E157 HydrophobicContact CG-CB 4.4Å
62	N	92.1	Very high	94.7	Very high	7 Å²	7	14 Å²	14	4%	0.037	7%	0.07	C	C	.	.			trans	-126.4	164.2	-165.2	-52.5	81	0	0	0	112.1	S59 Y64 E157 T158	S59-N62 PolarHBondContact N-O 3.35Å; S59-N62 PolarHBondContact OG-N 3.35Å; S59-N62 VanDerWaalsContact OG-N 3.1Å; N62-Y64 HydrophobicContact CB-CE1 4.22Å; N62-Y64 HydrophobicContact CB-CE2 3.68Å; N62-Y64 VanDerWaalsContact CB-CZ 3.42Å; N62-Y64 WeakPolarHBondContact CB-OH 3.42Å; N62-E157 PolarHBondContact ND2-OE2 3.08Å; N62-E157 VanDerWaalsContact ND2-OE2 3.11Å; N62-E157 PolarHBondContact OD1-OE2 2.83Å; N62-T158 PolarHBondContact OD1-OG1 3.34Å
63	R	95.1	Very high	94.6	Very high	31 Å²	31	13.5 Å²	13.5	12%	0.117	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	143.2	173.5	-65.9	169.1	171.9	73.3	26.7	109.4	Y56 V57 F58 K82 A84 R85 L86	Y56-R63 HydrophobicContact CE2-CB 3.98Å; Y56-R63 HydrophobicContact CE2-CG 4.23Å; Y56-R63 WeakPolarHBondContact OH-CD 3.2Å; Y56-R63 WeakPolarHBondContact OH-CG 3.49Å; Y56-R63 PolarHBondContact OH-NE 2.87Å; V57-R63 CarbonylContact O-C 2.91Å; V57-R63 WeakPolarHBondContact O-CA 3.5Å; F58-R63 HydrophobicContact CB-CG 3.91Å; R63-K82 WeakPolarHBondContact CD-O 2.98Å; R63-A84 WeakPolarHBondContact CD-O 3.31Å; R63-A84 PolarHBondContact NE-O 2.72Å; R63-A84 PolarHBondContact NH1-O 3.17Å; R63-R85 PolarHBondContact N-O 3.32Å; R63-L86 HydrophobicContact CB-CB 4.47Å; R63-L86 HydrophobicContact CB-CD1 4.2Å
64	Y	96.8	Very high	94.4	Very high	0 Å²	0	13 Å²	13	0%	0	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	148.2	-175.1	-45.4	-87.8	0	0	0	109.6	Y56 V57 N62 L86 N88 F90 D156 T158 M159	Y56-Y64 WeakPolarHBondContact CA-O 3.45Å; Y56-Y64 WeakPolarHBondContact CD2-O 3.33Å; V57-Y64 HydrophobicContact CB-CD2 4.07Å; V57-Y64 HydrophobicContact CG1-CD2 4.11Å; V57-Y64 PolarHBondContact N-O 3.4Å; V57-Y64 WeakPolarHBondContact O-CD2 3.37Å; V57-Y64 PolarHBondContact O-N 3.3Å; N62-Y64 HydrophobicContact CB-CE1 4.22Å; N62-Y64 HydrophobicContact CB-CE2 3.68Å; N62-Y64 VanDerWaalsContact CB-CZ 3.42Å; N62-Y64 WeakPolarHBondContact CB-OH 3.42Å; Y64-L86 VanDerWaalsContact C-CD1 3.49Å; Y64-N88 HydrophobicContact CD1-CB 3.78Å; Y64-N88 HydrophobicContact CE1-CB 4.28Å; Y64-F90 AromaticContact CD1-CE2 3.7Å; Y64-F90 HydrophobicContact CD1-CE2 3.7Å; Y64-F90 HydrophobicContact CD1-CZ 4.4Å; Y64-F90 HydrophobicContact CG-CE2 4.32Å; Y64-D156 WeakPolarHBondContact CE1-OD2 2.96Å; Y64-D156 VanDerWaalsContact CZ-OD2 3.26Å; Y64-D156 PolarHBondContact OH-OD1 3.05Å; Y64-D156 PolarHBondContact OH-OD2 3.28Å; Y64-T158 HydrophobicContact CE2-CG2 4.03Å; Y64-T158 VanDerWaalsContact OH-CB 3.27Å; Y64-T158 WeakPolarHBondContact OH-CB 3.24Å; Y64-M159 HydrophobicContact CD1-CE 3.87Å; Y64-M159 HydrophobicContact CD2-CE 3.26Å; Y64-M159 HydrophobicContact CE1-CE 3.9Å; Y64-M159 HydrophobicContact CE2-CE 3.33Å; Y64-M159 HydrophobicContact CG-CE 3.53Å
65	L	97.8	Very high	94.2	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	126	172.3	-177.3	71	0	0	0	108.3	L55 N67 C68 T72 L86 N88 I89 F90 M105	L55-L65 CarbonylContact O-C 3.57Å; L55-L65 WeakPolarHBondContact O-CA 3.46Å; L65-N67 WeakPolarHBondContact CG-O 3.11Å; L65-C68 HydrophobicContact CD2-CB 3.82Å; L65-T72 HydrophobicContact CD1-CG2 4.12Å; L65-T72 HydrophobicContact CD2-CG2 4.22Å; L65-L86 HydrophobicContact CB-CD1 3.83Å; L65-L86 HydrophobicContact CB-CD2 4.19Å; L65-L86 HydrophobicContact CD2-CD2 4.39Å; L65-N88 PolarHBondContact N-O 3.27Å; L65-I89 HydrophobicContact CB-CG1 4.3Å; L65-I89 HydrophobicContact CB-CG2 4.48Å; L65-I89 HydrophobicContact CD2-CD1 4.44Å; L65-I89 HydrophobicContact CD2-CG2 4.49Å; L65-I89 CarbonylContact O-C 3.2Å; L65-I89 VanDerWaalsContact O-CA 3.31Å; L65-I89 WeakPolarHBondContact O-CA 3.26Å; L65-F90 PolarHBondContact O-N 3.23Å; L65-M105 HydrophobicContact CD2-CE 4.25Å
66	F	97.8	Very high	94	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	118.5	169.7	-65.1	-101	0	0	0	108	S54 L55 V57 F90 F231 V296	S54-F66 WeakPolarHBondContact CA-O 3.49Å; L55-F66 HydrophobicContact CB-CB 4.17Å; L55-F66 HydrophobicContact CD1-CB 4.47Å; L55-F66 PolarHBondContact N-O 3.12Å; L55-F66 PolarHBondContact O-N 3.05Å; V57-F66 HydrophobicContact CB-CE2 4.34Å; V57-F66 HydrophobicContact CG2-CD2 3.99Å; V57-F66 HydrophobicContact CG2-CE2 3.7Å; F66-F90 CarbonylContact C-O 3.4Å; F66-F90 VanDerWaalsContact CA-O 3.3Å; F66-F90 WeakPolarHBondContact CA-O 3.28Å; F66-F90 HydrophobicContact CD1-CB 3.54Å; F66-F90 HydrophobicContact CD1-CD2 4.17Å; F66-F90 HydrophobicContact CD1-CG 4.17Å; F66-F90 HydrophobicContact CD2-CD2 4.48Å; F66-F90 HydrophobicContact CE1-CB 3.67Å; F66-F90 AromaticContact CE1-CD2 3.67Å; F66-F90 HydrophobicContact CE1-CD2 3.67Å; F66-F90 AromaticContact CE1-CG 3.79Å; F66-F90 HydrophobicContact CE1-CG 3.79Å; F66-F90 HydrophobicContact CE2-CD2 4.02Å; F66-F90 HydrophobicContact CG-CB 4.21Å; F66-F90 HydrophobicContact CZ-CB 4.44Å; F66-F90 AromaticContact CZ-CD2 3.58Å; F66-F90 HydrophobicContact CZ-CD2 3.58Å; F66-F90 HydrophobicContact CZ-CE2 4.1Å; F66-F90 HydrophobicContact CZ-CG 4.18Å; F66-F231 HydrophobicContact CD1-CB 4.42Å; F66-F231 AromaticContact CD1-CD2 3.94Å; F66-F231 HydrophobicContact CD1-CD2 3.94Å; F66-F231 HydrophobicContact CD1-CG 4.27Å; F66-F231 HydrophobicContact CE1-CB 3.78Å; F66-F231 HydrophobicContact CE1-CD2 4.05Å; F66-F231 AromaticContact CE1-CG 3.89Å; F66-F231 HydrophobicContact CE1-CG 3.89Å; F66-V296 HydrophobicContact CB-CG1 4.3Å; F66-V296 HydrophobicContact CD1-CB 4.07Å; F66-V296 HydrophobicContact CD1-CG1 4.04Å; F66-V296 HydrophobicContact CD1-CG2 4.05Å; F66-V296 HydrophobicContact CE1-CB 4.38Å; F66-V296 HydrophobicContact CE1-CG2 4.17Å; F66-V296 HydrophobicContact CG-CG1 4.34Å; F66-V296 HydrophobicContact CG-CG2 4.31Å
67	N	97.6	Very high	93.6	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.076	C	C	.	.			trans	59.4	146.1	-170.2	-63.7	-26.2	0	0	0	114.7	A53 S54 L65 F90 L91 T92 N98 M332	A53-N67 WeakPolarHBondContact O-CB 3.14Å; S54-N67 WeakPolarHBondContact CB-O 2.94Å; L65-N67 WeakPolarHBondContact CG-O 3.11Å; N67-F90 PolarHBondContact N-O 3.39Å; N67-L91 WeakPolarHBondContact OD1-CA 3.38Å; N67-T92 PolarHBondContact ND2-OG1 2.85Å; N67-T92 PolarHBondContact OD1-N 2.72Å; N67-T92 PolarHBondContact OD1-OG1 2.65Å; N67-N98 HydrophobicContact CB-CB 4.4Å; N67-N98 PolarHBondContact ND2-ND2 3.27Å; N67-N98 PolarHBondContact OD1-ND2 3.47Å; N67-M332 PolarHBondContact ND2-SD 3.24Å
68	C	96.3	Very high	93.2	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	8%	0.077	C	C	.	.			trans	-141.3	66.3	-178.5	-171.4	0	0	0	0	109.6	L65 N98 V99 G101 L102	L65-C68 HydrophobicContact CD2-CB 3.82Å; C68-N98 CarbonylContact C-O 3.55Å; C68-N98 WeakPolarHBondContact CA-O 3.44Å; C68-N98 PolarHBondContact N-O 3.4Å; C68-V99 CarbonylContact O-C 3.57Å; C68-V99 VanDerWaalsContact O-C 3.3Å; C68-G101 WeakPolarHBondContact O-CA 3.41Å; C68-G101 PolarHBondContact O-N 3.33Å; C68-L102 HydrophobicContact CB-CD2 3.61Å; C68-L102 HydrophobicContact CB-CG 4.05Å
69	G	94.5	Very high	93	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.077	C	C	.	.			trans	-68.6	172.9	173	0	0	0	0	0	113.4	N52 G71 T72 E97 G101	N52-G69 WeakPolarHBondContact ND2-CA 3.34Å; G69-G71 PolarHBondContact O-N 3.3Å; G69-T72 PolarHBondContact N-OG1 3.06Å; G69-T72 WeakPolarHBondContact O-CB 3.45Å; G69-T72 PolarHBondContact O-N 2.85Å; G69-T72 PolarHBondContact O-OG1 3.34Å; G69-E97 WeakPolarHBondContact CA-O 3.43Å; G69-G101 VanDerWaalsContact C-N 3.35Å; G69-G101 WeakPolarHBondContact O-CA 3.26Å
70	E	92.4	Very high	92.9	Very high	6 Å²	6	23.5 Å²	23.5	3%	0.028	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51	140.4	173.7	-70.8	-164.3	-160.3	0	0	111.6	N52 T72 W96 E506 G507 G542 K545	N52-E70 PolarHBondContact ND2-N 3.16Å; E70-T72 VanDerWaalsContact C-N 3.25Å; E70-T72 PolarHBondContact O-N 2.97Å; E70-W96 HydrophobicContact CG-CZ2 4.35Å; E70-W96 PolarHBondContact OE1-NE1 3.36Å; E70-E506 HydrophobicContact CB-CG 3.94Å; E70-E506 HydrophobicContact CG-CG 3.97Å; E70-G507 PolarHBondContact OE2-N 2.98Å; E70-G542 WeakPolarHBondContact OE1-CA 3.26Å; E70-K545 VanDerWaalsContact OE1-CB 3.22Å; E70-K545 WeakPolarHBondContact OE1-CB 3.42Å
71	G	90.7	Very high	93.1	Very high	16 Å²	16	20.9 Å²	20.9	17%	0.165	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	83	-13.4	178	0	0	0	0	0	114.6	G69 Q73 R74 L75 E506	G69-G71 PolarHBondContact O-N 3.3Å; G71-Q73 VanDerWaalsContact C-N 3.28Å; G71-Q73 PolarHBondContact O-N 3.28Å; G71-R74 WeakPolarHBondContact O-CA 3.4Å; G71-R74 WeakPolarHBondContact O-CB 3.27Å; G71-R74 PolarHBondContact O-N 2.97Å; G71-L75 WeakPolarHBondContact O-CG 3.49Å; G71-L75 PolarHBondContact O-N 3.23Å; G71-E506 WeakPolarHBondContact CA-OE1 3.49Å; G71-E506 PolarHBondContact N-OE1 3.12Å
72	T	94.1	Very high	93.2	Very high	1 Å²	1	24.4 Å²	24.4	1%	0.006	11%	0.113	C	C	.	.	H	α-helix	trans	-54.5	-44.3	-177.9	-55.8	0	0	0	0	111.9	V44 L65 G69 E70 L75 M76 M105	V44-T72 HydrophobicContact CG1-CG2 4.18Å; L65-T72 HydrophobicContact CD1-CG2 4.12Å; L65-T72 HydrophobicContact CD2-CG2 4.22Å; G69-T72 PolarHBondContact N-OG1 3.06Å; G69-T72 WeakPolarHBondContact O-CB 3.45Å; G69-T72 PolarHBondContact O-N 2.85Å; G69-T72 PolarHBondContact O-OG1 3.34Å; E70-T72 VanDerWaalsContact C-N 3.25Å; E70-T72 PolarHBondContact O-N 2.97Å; T72-L75 PolarHBondContact O-N 3.35Å; T72-M76 WeakPolarHBondContact O-CG 3.3Å; T72-M76 PolarHBondContact O-N 3.41Å; T72-M105 HydrophobicContact CG2-CE 4.08Å
73	Q	91.1	Very high	93.1	Very high	2 Å²	2	24.7 Å²	24.7	1%	0.009	12%	0.117	C	C	.	.	H	α-helix	trans	-61.6	-44.2	176.3	168	-81.1	-20.9	0	0	111.7	G71 L75 M76 Q77 M105 T108 I478 P479	G71-Q73 VanDerWaalsContact C-N 3.28Å; G71-Q73 PolarHBondContact O-N 3.28Å; Q73-L75 VanDerWaalsContact C-N 3.34Å; Q73-L75 PolarHBondContact O-N 3.07Å; Q73-M76 PolarHBondContact O-N 2.91Å; Q73-Q77 WeakPolarHBondContact O-CG 3.41Å; Q73-Q77 PolarHBondContact O-N 3.06Å; Q73-M105 HydrophobicContact CB-CE 3.92Å; Q73-T108 VanDerWaalsContact CG-OG1 3.31Å; Q73-T108 WeakPolarHBondContact CG-OG1 3.03Å; Q73-I478 VanDerWaalsContact NE2-CG2 3.28Å; Q73-P479 PolarHBondContact NE2-O 3.08Å
74	R	91.3	Very high	92.7	Very high	7 Å²	7	25.2 Å²	25.2	3%	0.026	13%	0.128	C	C	.	.	H	α-helix	trans	-62.7	-42.2	178.9	-169	180	179.1	-167.4	-7.4	111.1	G71 Q77 E78 P479 M480 N484	G71-R74 WeakPolarHBondContact O-CA 3.4Å; G71-R74 WeakPolarHBondContact O-CB 3.27Å; G71-R74 PolarHBondContact O-N 2.97Å; R74-Q77 PolarHBondContact O-N 3.35Å; R74-E78 WeakPolarHBondContact O-CB 3.1Å; R74-E78 PolarHBondContact O-N 3.01Å; R74-P479 HydrophobicContact CB-CB 4.1Å; R74-P479 HydrophobicContact CG-CB 4.05Å; R74-M480 PolarHBondContact NE-O 3.4Å; R74-M480 PolarHBondContact NH2-O 3.17Å; R74-N484 PolarHBondContact NH1-OD1 2.69Å
75	L	92.4	Very high	92.2	Very high	6 Å²	6	30.5 Å²	30.5	3%	0.031	15%	0.148	C	C	.	.	H	α-helix	trans	-65.5	-42.8	177.5	-63.4	-172.2	0	0	0	112.2	V44 S51 G71 T72 Q73 Q77 E78 H79 H367	V44-L75 HydrophobicContact CG1-CB 3.87Å; V44-L75 HydrophobicContact CG1-CD1 4.44Å; S51-L75 WeakPolarHBondContact OG-CD1 3.42Å; G71-L75 WeakPolarHBondContact O-CG 3.49Å; G71-L75 PolarHBondContact O-N 3.23Å; T72-L75 PolarHBondContact O-N 3.35Å; Q73-L75 VanDerWaalsContact C-N 3.34Å; Q73-L75 PolarHBondContact O-N 3.07Å; L75-Q77 VanDerWaalsContact C-N 3.27Å; L75-Q77 PolarHBondContact O-N 3.04Å; L75-E78 PolarHBondContact O-N 3.23Å; L75-H79 PolarHBondContact O-CD2 2.85Å; L75-H79 PolarHBondContact O-N 3.45Å; L75-H367 HydrophobicContact CD1-CB 4.12Å; L75-H367 HydrophobicContact CD2-CB 3.45Å; L75-H367 VanDerWaalsContact CD2-CB 3.45Å; L75-H367 HydrophobicContact CG-CB 4.42Å
76	M	93	Very high	92	Very high	7 Å²	7	30.5 Å²	30.5	3%	0.034	15%	0.148	C	C	.	.	H	α-helix	trans	-59.1	-40.7	174.1	-72.1	-175.4	71.9	0	0	111.6	V44 Y56 T72 Q73 K80 L81 L86 M105	V44-M76 HydrophobicContact CG1-CG 4.11Å; Y56-M76 HydrophobicContact CD2-CE 4.37Å; Y56-M76 HydrophobicContact CE2-CE 4.26Å; T72-M76 WeakPolarHBondContact O-CG 3.3Å; T72-M76 PolarHBondContact O-N 3.41Å; Q73-M76 PolarHBondContact O-N 2.91Å; M76-K80 CarbonylContact O-C 3.54Å; M76-K80 PolarHBondContact O-N 3.48Å; M76-L81 HydrophobicContact CB-CB 4.05Å; M76-L81 HydrophobicContact CE-CB 4.13Å; M76-L81 HydrophobicContact CG-CB 4.11Å; M76-L81 HydrophobicContact CG-CD1 4.1Å; M76-L81 PolarHBondContact O-N 2.92Å; M76-L86 HydrophobicContact CE-CD2 4.31Å; M76-M105 HydrophobicContact SD-CE 3.42Å; M76-M105 WeakPolarHBondContact SD-CE 3.45Å; M76-M105 HydrophobicContact SD-SD 4.24Å
77	Q	89.3	Confident	91.5	Very high	57 Å²	57	33 Å²	33	27%	0.266	16%	0.161	S	C	.	.	H	α-helix	trans	-69.9	-41.7	175.9	-70	-169.8	-1.1	0	0	113.2	Q73 R74 L75 H79 K80 P479 K481	Q73-Q77 WeakPolarHBondContact O-CG 3.41Å; Q73-Q77 PolarHBondContact O-N 3.06Å; R74-Q77 PolarHBondContact O-N 3.35Å; L75-Q77 VanDerWaalsContact C-N 3.27Å; L75-Q77 PolarHBondContact O-N 3.04Å; Q77-H79 VanDerWaalsContact C-N 3.25Å; Q77-H79 PolarHBondContact O-N 2.9Å; Q77-K80 PolarHBondContact O-N 3.24Å; Q77-P479 PolarHBondContact OE1-O 3.32Å; Q77-K481 WeakPolarHBondContact O-CE 3.36Å
78	E	89.6	Confident	91.4	Very high	8 Å²	8	33.4 Å²	33.4	4%	0.037	16%	0.163	C	C	.	.	H	α-helix	trans	-52.7	-48	176.2	178.3	68	175.3	0	0	110.4	R74 L75 V369 R370 K481	R74-E78 WeakPolarHBondContact O-CB 3.1Å; R74-E78 PolarHBondContact O-N 3.01Å; L75-E78 PolarHBondContact O-N 3.23Å; E78-V369 PolarHBondContact OE1-N 2.87Å; E78-R370 VanDerWaalsContact CD-NH1 3.32Å; E78-R370 PolarHBondContact O-NH1 3.11Å; E78-R370 WeakPolarHBondContact OE1-CB 3.33Å; E78-R370 WeakPolarHBondContact OE1-CG 3.35Å; E78-R370 PolarHBondContact OE1-N 2.97Å; E78-R370 IonicContact OE1-NH1 3.79Å; E78-R370 WeakPolarHBondContact OE2-CD 3.39Å; E78-R370 IonicContact OE2-CZ 3.71Å; E78-R370 IonicContact OE2-NE 2.72Å; E78-R370 IonicContact OE2-NH1 3.64Å; E78-R370 PolarHBondContact OE2-NH1 3Å; E78-K481 WeakPolarHBondContact OE2-CG 3.48Å
79	H	91.4	Very high	91.4	Very high	38 Å²	38	33.4 Å²	33.4	18%	0.176	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.8	8.9	-173.3	-61.1	-58.3	0	0	0	114.8	L75 Q77 L81 H367 C410 L411	L75-H79 PolarHBondContact O-CD2 2.85Å; L75-H79 PolarHBondContact O-N 3.45Å; Q77-H79 VanDerWaalsContact C-N 3.25Å; Q77-H79 PolarHBondContact O-N 2.9Å; H79-L81 HydrophobicContact CB-CG 4.21Å; H79-L81 PolarHBondContact O-N 2.91Å; H79-H367 PolarHBondContact CE1-O 2.96Å; H79-H367 PolarHBondContact NE2-O 3.24Å; H79-C410 PolarHBondContact NE2-SG 3.23Å; H79-L411 HydrophobicContact CB-CD1 3.76Å; H79-L411 HydrophobicContact CB-CD2 3.73Å; H79-L411 HydrophobicContact CB-CG 4.2Å; H79-L411 VanDerWaalsContact CG-CD1 3.48Å; H79-L411 WeakPolarHBondContact ND1-CD1 3.2Å
80	K	91.1	Very high	91.6	Very high	161 Å²	161	33.5 Å²	33.5	70%	0.7	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.6	32.2	178.7	-52.2	175.6	-179.1	174.1	0	113.1	M76 Q77	M76-K80 CarbonylContact O-C 3.54Å; M76-K80 PolarHBondContact O-N 3.48Å; Q77-K80 PolarHBondContact O-N 3.24Å
81	L	92.4	Very high	91.7	Very high	29 Å²	29	33.2 Å²	33.2	15%	0.152	16%	0.162	C	C	.	.			trans	-69.4	133.9	173	-58.6	-177.4	0	0	0	109.6	V44 M76 H79 A83 L411	V44-L81 HydrophobicContact CG1-CD1 4.37Å; V44-L81 HydrophobicContact CG2-CD1 3.8Å; M76-L81 HydrophobicContact CB-CB 4.05Å; M76-L81 HydrophobicContact CE-CB 4.13Å; M76-L81 HydrophobicContact CG-CB 4.11Å; M76-L81 HydrophobicContact CG-CD1 4.1Å; M76-L81 PolarHBondContact O-N 2.92Å; H79-L81 HydrophobicContact CB-CG 4.21Å; H79-L81 PolarHBondContact O-N 2.91Å; L81-A83 PolarHBondContact O-N 2.68Å; L81-L411 HydrophobicContact CD1-CD2 4.13Å; L81-L411 HydrophobicContact CD2-CD2 4.21Å; L81-L411 HydrophobicContact CG-CD2 4.44Å
82	K	91.5	Very high	92	Very high	136 Å²	136	32.4 Å²	32.4	59%	0.591	15%	0.154	S	C	*	.			trans	-82.1	117.2	-172	-67.1	179.3	-178.6	173.9	0	110.9	Y56 R63 A84	Y56-K82 PolarHBondContact OH-O 3.45Å; R63-K82 WeakPolarHBondContact CD-O 2.98Å; K82-A84 VanDerWaalsContact C-N 3.29Å
83	A	89	Confident	91.9	Very high	14 Å²	14	34.5 Å²	34.5	12%	0.116	16%	0.162	C	C	.	.			trans	-77.2	-13.6	168.7	0	0	0	0	0	113.3	L81 R85 L86 L109 T112	L81-A83 PolarHBondContact O-N 2.68Å; A83-R85 PolarHBondContact O-N 2.82Å; A83-L86 VanDerWaalsContact O-CB 3.23Å; A83-L86 WeakPolarHBondContact O-CB 3.46Å; A83-L86 PolarHBondContact O-N 3.22Å; A83-L109 HydrophobicContact CB-CD2 4.16Å; A83-T112 HydrophobicContact CB-CG2 4.47Å
84	A	87.2	Confident	91.9	Very high	41 Å²	41	35.1 Å²	35.1	34%	0.339	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	123.8	-179.5	0	0	0	0	0	111.5	R63 K82 L86 T112	R63-A84 WeakPolarHBondContact CD-O 3.31Å; R63-A84 PolarHBondContact NE-O 2.72Å; R63-A84 PolarHBondContact NH1-O 3.17Å; K82-A84 VanDerWaalsContact C-N 3.29Å; A84-L86 VanDerWaalsContact C-N 3.34Å; A84-T112 HydrophobicContact CB-CG2 4.1Å
85	R	86.6	Confident	92	Very high	112 Å²	112	34.8 Å²	34.8	42%	0.423	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.9	19.1	-170.3	-43.5	-176.4	-171.5	166.9	3.1	114.9	E60 Y61 R63 A83 D87	E60-R85 PolarHBondContact O-NH1 2.75Å; Y61-R85 WeakPolarHBondContact O-CD 2.94Å; Y61-R85 PolarHBondContact O-NH1 3.13Å; Y61-R85 VanDerWaalsContact O-NH1 3.15Å; R63-R85 PolarHBondContact N-O 3.32Å; A83-R85 PolarHBondContact O-N 2.82Å; R85-D87 VanDerWaalsContact C-N 3.3Å; R85-D87 PolarHBondContact O-N 3Å
86	L	91.9	Very high	92.1	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	83.7	165.2	-176.3	63.9	0	0	0	108.4	R63 Y64 L65 M76 A83 A84 M105 L109	R63-L86 HydrophobicContact CB-CB 4.47Å; R63-L86 HydrophobicContact CB-CD1 4.2Å; Y64-L86 VanDerWaalsContact C-CD1 3.49Å; L65-L86 HydrophobicContact CB-CD1 3.83Å; L65-L86 HydrophobicContact CB-CD2 4.19Å; L65-L86 HydrophobicContact CD2-CD2 4.39Å; M76-L86 HydrophobicContact CE-CD2 4.31Å; A83-L86 VanDerWaalsContact O-CB 3.23Å; A83-L86 WeakPolarHBondContact O-CB 3.46Å; A83-L86 PolarHBondContact O-N 3.22Å; A84-L86 VanDerWaalsContact C-N 3.34Å; L86-M105 HydrophobicContact CD2-SD 4.35Å; L86-L109 HydrophobicContact CB-CD2 3.95Å; L86-L109 HydrophobicContact CD2-CD2 4.19Å; L86-L109 HydrophobicContact CG-CD2 4.35Å
87	D	88.6	Confident	92.1	Very high	52 Å²	52	38.1 Å²	38.1	28%	0.278	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	-3.1	-175.6	53.7	11.8	0	0	0	113.2	R85 E116 C117 V118	R85-D87 VanDerWaalsContact C-N 3.3Å; R85-D87 PolarHBondContact O-N 3Å; D87-E116 WeakPolarHBondContact CB-O 3.14Å; D87-C117 CarbonylContact O-C 3.21Å; D87-C117 WeakPolarHBondContact O-CA 3.33Å; D87-V118 PolarHBondContact O-N 3.11Å
88	N	94.7	Very high	92.4	Very high	9 Å²	9	35.7 Å²	35.7	5%	0.048	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	125.7	178	-71.7	-88.2	0	0	0	111.1	Y64 L65 F90 V118 H154	Y64-N88 HydrophobicContact CD1-CB 3.78Å; Y64-N88 HydrophobicContact CE1-CB 4.28Å; L65-N88 PolarHBondContact N-O 3.27Å; N88-F90 HydrophobicContact CB-CE2 4.08Å; N88-F90 HydrophobicContact CB-CZ 4.18Å; N88-V118 WeakPolarHBondContact CA-O 3.45Å; N88-H154 PolarHBondContact OD1-CE1 3.05Å
89	I	96.9	Very high	92.6	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	125.9	172.3	-56	179.6	0	0	0	108.6	L65 L91 L102 M105 L109 V118 L119 S120	L65-I89 HydrophobicContact CB-CG1 4.3Å; L65-I89 HydrophobicContact CB-CG2 4.48Å; L65-I89 HydrophobicContact CD2-CD1 4.44Å; L65-I89 HydrophobicContact CD2-CG2 4.49Å; L65-I89 CarbonylContact O-C 3.2Å; L65-I89 VanDerWaalsContact O-CA 3.31Å; L65-I89 WeakPolarHBondContact O-CA 3.26Å; I89-L91 HydrophobicContact CG2-CD2 3.94Å; I89-L91 HydrophobicContact CG2-CG 4.32Å; I89-L102 HydrophobicContact CD1-CD2 4.04Å; I89-L102 HydrophobicContact CG2-CD2 4.36Å; I89-M105 HydrophobicContact CD1-CG 4.4Å; I89-L109 HydrophobicContact CD1-CD1 4.37Å; I89-V118 PolarHBondContact N-O 3.44Å; I89-L119 HydrophobicContact CB-CG 4.39Å; I89-L119 CarbonylContact O-C 3.55Å; I89-L119 VanDerWaalsContact O-CA 3.3Å; I89-L119 WeakPolarHBondContact O-CA 3.43Å; I89-S120 PolarHBondContact O-N 3.25Å
90	F	97.3	Very high	92.7	Very high	1 Å²	1	33.5 Å²	33.5	0%	0.004	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	124.4	178.9	-60.8	-77.8	0	0	0	109.3	Y64 L65 F66 N67 N88 S120 H154 V161 F231	Y64-F90 AromaticContact CD1-CE2 3.7Å; Y64-F90 HydrophobicContact CD1-CE2 3.7Å; Y64-F90 HydrophobicContact CD1-CZ 4.4Å; Y64-F90 HydrophobicContact CG-CE2 4.32Å; L65-F90 PolarHBondContact O-N 3.23Å; F66-F90 CarbonylContact C-O 3.4Å; F66-F90 VanDerWaalsContact CA-O 3.3Å; F66-F90 WeakPolarHBondContact CA-O 3.28Å; F66-F90 HydrophobicContact CD1-CB 3.54Å; F66-F90 HydrophobicContact CD1-CD2 4.17Å; F66-F90 HydrophobicContact CD1-CG 4.17Å; F66-F90 HydrophobicContact CD2-CD2 4.48Å; F66-F90 HydrophobicContact CE1-CB 3.67Å; F66-F90 AromaticContact CE1-CD2 3.67Å; F66-F90 HydrophobicContact CE1-CD2 3.67Å; F66-F90 AromaticContact CE1-CG 3.79Å; F66-F90 HydrophobicContact CE1-CG 3.79Å; F66-F90 HydrophobicContact CE2-CD2 4.02Å; F66-F90 HydrophobicContact CG-CB 4.21Å; F66-F90 HydrophobicContact CZ-CB 4.44Å; F66-F90 AromaticContact CZ-CD2 3.58Å; F66-F90 HydrophobicContact CZ-CD2 3.58Å; F66-F90 HydrophobicContact CZ-CE2 4.1Å; F66-F90 HydrophobicContact CZ-CG 4.18Å; N67-F90 PolarHBondContact N-O 3.39Å; N88-F90 HydrophobicContact CB-CE2 4.08Å; N88-F90 HydrophobicContact CB-CZ 4.18Å; F90-S120 CarbonylContact C-O 3.56Å; F90-S120 WeakPolarHBondContact CA-O 3.48Å; F90-H154 HydrophobicContact CE1-CB 4.46Å; F90-H154 AromaticContact CZ-CD2 3.92Å; F90-V161 HydrophobicContact CD1-CG1 4.22Å; F90-V161 HydrophobicContact CE1-CB 4.19Å; F90-V161 HydrophobicContact CE1-CG1 3.89Å; F90-V161 HydrophobicContact CE1-CG2 4.46Å; F90-V161 HydrophobicContact CE2-CG2 4.29Å; F90-V161 HydrophobicContact CZ-CB 4.12Å; F90-V161 HydrophobicContact CZ-CG1 4.13Å; F90-V161 HydrophobicContact CZ-CG2 3.9Å; F90-F231 HydrophobicContact CB-CD1 4.25Å; F90-F231 HydrophobicContact CB-CD2 4.24Å; F90-F231 HydrophobicContact CB-CE1 3.9Å; F90-F231 HydrophobicContact CB-CE2 3.89Å; F90-F231 HydrophobicContact CB-CG 4.41Å; F90-F231 HydrophobicContact CB-CZ 3.72Å; F90-F231 AromaticContact CD1-CD1 3.98Å; F90-F231 HydrophobicContact CD1-CD1 3.98Å; F90-F231 AromaticContact CD1-CE1 3.73Å; F90-F231 HydrophobicContact CD1-CE1 3.73Å; F90-F231 HydrophobicContact CD1-CZ 4.37Å; F90-F231 HydrophobicContact CG-CD1 4.38Å; F90-F231 HydrophobicContact CG-CE1 4.22Å
91	L	96.4	Very high	92.8	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.125	C	C	.	.			trans	-114.4	121.7	-176.6	-59.1	171.5	0	0	0	109.3	N67 I89 V99 L102 L119 S120 G121 P122 L125 F231	N67-L91 WeakPolarHBondContact OD1-CA 3.38Å; I89-L91 HydrophobicContact CG2-CD2 3.94Å; I89-L91 HydrophobicContact CG2-CG 4.32Å; L91-V99 HydrophobicContact CD1-CG1 3.99Å; L91-V99 HydrophobicContact CD2-CG1 4.27Å; L91-L102 HydrophobicContact CD1-CD1 3.91Å; L91-L102 HydrophobicContact CD2-CD1 4.44Å; L91-L119 HydrophobicContact CD1-CD2 4.42Å; L91-S120 PolarHBondContact N-O 3.05Å; L91-G121 WeakPolarHBondContact O-CA 3.44Å; L91-P122 WeakPolarHBondContact O-CD 3.26Å; L91-L125 HydrophobicContact CD1-CD1 3.49Å; L91-L125 VanDerWaalsContact CD1-CD1 3.49Å; L91-L125 HydrophobicContact CD1-CD2 3.77Å; L91-L125 HydrophobicContact CD1-CG 4.3Å; L91-F231 WeakPolarHBondContact O-CZ 3.31Å
92	T	95.3	Very high	92.8	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.117	C	C	.	.	S	Bend	trans	-75.5	-35.3	-178.8	48.2	0	0	0	0	111.9	N67 N98 I229 F231 E298	N67-T92 PolarHBondContact ND2-OG1 2.85Å; N67-T92 PolarHBondContact OD1-N 2.72Å; N67-T92 PolarHBondContact OD1-OG1 2.65Å; T92-N98 PolarHBondContact OG1-ND2 3.22Å; T92-I229 WeakPolarHBondContact CA-O 3.45Å; T92-I229 WeakPolarHBondContact CB-O 3.34Å; T92-I229 WeakPolarHBondContact CG2-O 3.49Å; T92-I229 PolarHBondContact O-N 3.29Å; T92-F231 HydrophobicContact CG2-CD2 4.01Å; T92-F231 HydrophobicContact CG2-CE2 3.77Å; T92-E298 WeakPolarHBondContact CB-OE2 3.42Å; T92-E298 HydrophobicContact CG2-CB 4.39Å; T92-E298 PolarHBondContact OG1-OE2 2.75Å
93	R	92.9	Very high	92.8	Very high	45 Å²	45	18.1 Å²	18.1	17%	0.17	9%	0.09	C	C	.	.			trans	-145.9	155.4	-179.8	-173	173.4	166.9	-108.7	-14.9	111	S95 N98 E584	R93-S95 PolarHBondContact O-N 2.94Å; R93-N98 VanDerWaalsContact O-CB 3.22Å; R93-N98 WeakPolarHBondContact O-CB 3.25Å; R93-E584 IonicContact CZ-OE1 3.67Å; R93-E584 IonicContact NH1-OE1 3.72Å; R93-E584 PolarHBondContact NH1-OE1 3.4Å; R93-E584 IonicContact NH2-OE1 2.85Å; R93-E584 PolarHBondContact NH2-OE1 3.5Å
94	L	91.8	Very high	92.8	Very high	15 Å²	15	18.1 Å²	18.1	8%	0.079	9%	0.091	C	C	.	.	S	Bend	trans	-92.1	53.6	175	-160	70.9	0	0	0	110.4	V99 P122 Q124 L125 F582 C583	L94-V99 HydrophobicContact CD1-CG1 4.1Å; L94-P122 HydrophobicContact CB-CB 4.38Å; L94-P122 HydrophobicContact CB-CG 3.78Å; L94-Q124 HydrophobicContact CD2-CB 4.11Å; L94-L125 HydrophobicContact CD1-CD1 4.01Å; L94-F582 WeakPolarHBondContact CD2-O 3.27Å; L94-C583 HydrophobicContact CD2-CB 4.47Å; L94-C583 HydrophobicContact CG-CB 4.31Å; L94-C583 WeakPolarHBondContact O-CB 3.5Å
95	S	93	Very high	93	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.076	C	C	.	.	S	Bend	trans	-107.5	157.7	175.6	92.9	0	0	0	0	110.4	R93 E97 N98 V99 E584	R93-S95 PolarHBondContact O-N 2.94Å; S95-E97 PolarHBondContact O-N 3.27Å; S95-E97 VanDerWaalsContact O-N 3.11Å; S95-E97 PolarHBondContact OG-N 3.03Å; S95-N98 WeakPolarHBondContact CB-OD1 3.17Å; S95-N98 PolarHBondContact O-N 2.92Å; S95-N98 PolarHBondContact OG-OD1 3.42Å; S95-V99 WeakPolarHBondContact O-CG2 3.48Å; S95-V99 PolarHBondContact O-N 2.63Å; S95-E584 WeakPolarHBondContact CA-OE2 3.32Å; S95-E584 WeakPolarHBondContact CB-OE1 3.43Å
96	W	94.2	Very high	93.3	Very high	1 Å²	1	11 Å²	11	0%	0.004	6%	0.056	C	C	.	.	H	α-helix	trans	-57.1	-30.6	177.4	-164.7	-111.7	0	0	0	112.2	E70 N98 V99 G100 Y128 T541 I544 W575 Y579 E584	E70-W96 HydrophobicContact CG-CZ2 4.35Å; E70-W96 PolarHBondContact OE1-NE1 3.36Å; W96-N98 VanDerWaalsContact C-N 3.25Å; W96-N98 PolarHBondContact O-N 2.69Å; W96-V99 PolarHBondContact O-N 3.23Å; W96-G100 WeakPolarHBondContact O-CA 3.46Å; W96-G100 PolarHBondContact O-N 2.92Å; W96-Y128 HydrophobicContact CZ3-CE2 4.42Å; W96-T541 WeakPolarHBondContact CZ2-O 3.46Å; W96-I544 HydrophobicContact CB-CG2 3.82Å; W96-I544 HydrophobicContact CD2-CB 3.73Å; W96-I544 HydrophobicContact CD2-CD1 4.16Å; W96-I544 HydrophobicContact CD2-CG2 3.51Å; W96-I544 HydrophobicContact CE3-CB 4.1Å; W96-I544 HydrophobicContact CE3-CD1 3.63Å; W96-I544 HydrophobicContact CE3-CG1 4.46Å; W96-I544 HydrophobicContact CE3-CG2 3.88Å; W96-I544 HydrophobicContact CG-CB 4.05Å; W96-I544 HydrophobicContact CG-CG2 3.45Å; W96-I544 VanDerWaalsContact CG-CG2 3.45Å; W96-I544 HydrophobicContact CH2-CD1 3.82Å; W96-I544 HydrophobicContact CZ2-CB 4.28Å; W96-I544 HydrophobicContact CZ2-CD1 4.33Å; W96-I544 HydrophobicContact CZ3-CD1 3.41Å; W96-I544 VanDerWaalsContact CZ3-CD1 3.41Å; W96-I544 HydrophobicContact CZ3-CG1 4.5Å; W96-W575 HydrophobicContact CH2-CZ2 4.09Å; W96-W575 HydrophobicContact CZ3-CH2 4.33Å; W96-W575 AromaticContact CZ3-CZ2 3.86Å; W96-W575 HydrophobicContact CZ3-CZ2 3.86Å; W96-Y579 WeakPolarHBondContact CA-OH 3.34Å; W96-Y579 VanDerWaalsContact CB-OH 3.27Å; W96-Y579 WeakPolarHBondContact CB-OH 3.44Å; W96-Y579 HydrophobicContact CE3-CD2 4.11Å; W96-Y579 AromaticContact CE3-CE2 3.48Å; W96-Y579 HydrophobicContact CE3-CE2 3.48Å; W96-Y579 VanDerWaalsContact CE3-CE2 3.48Å; W96-Y579 AromaticContact CE3-CZ 3.89Å; W96-Y579 HydrophobicContact CZ3-CD2 4.28Å; W96-Y579 HydrophobicContact CZ3-CE2 4.08Å; W96-Y579 PolarHBondContact N-OH 2.94Å; W96-E584 PolarHBondContact N-OE2 2.75Å
97	E	92.9	Very high	93	Very high	82 Å²	82	13.5 Å²	13.5	38%	0.383	7%	0.069	S	C	.	.	H	α-helix	trans	-64.6	-31.9	179.3	-53	-158.5	141.1	0	0	112.6	N52 G69 S95 K545	N52-E97 WeakPolarHBondContact CB-O 3.2Å; N52-E97 VanDerWaalsContact ND2-CA 3.32Å; N52-E97 WeakPolarHBondContact ND2-CA 3.07Å; N52-E97 PolarHBondContact ND2-O 3.24Å; G69-E97 WeakPolarHBondContact CA-O 3.43Å; S95-E97 PolarHBondContact O-N 3.27Å; S95-E97 VanDerWaalsContact O-N 3.11Å; S95-E97 PolarHBondContact OG-N 3.03Å; E97-K545 IonicContact OE1-NZ 3.61Å; E97-K545 PolarHBondContact OE1-NZ 3.14Å
98	N	94.9	Very high	93	Very high	6 Å²	6	11.9 Å²	11.9	3%	0.032	6%	0.061	C	C	.	.	H	α-helix	trans	-94.7	-24.3	-178.9	-50.5	90	0	0	0	113.2	N67 C68 T92 R93 S95 W96 E298	N67-N98 HydrophobicContact CB-CB 4.4Å; N67-N98 PolarHBondContact ND2-ND2 3.27Å; N67-N98 PolarHBondContact OD1-ND2 3.47Å; C68-N98 CarbonylContact C-O 3.55Å; C68-N98 WeakPolarHBondContact CA-O 3.44Å; C68-N98 PolarHBondContact N-O 3.4Å; T92-N98 PolarHBondContact OG1-ND2 3.22Å; R93-N98 VanDerWaalsContact O-CB 3.22Å; R93-N98 WeakPolarHBondContact O-CB 3.25Å; S95-N98 WeakPolarHBondContact CB-OD1 3.17Å; S95-N98 PolarHBondContact O-N 2.92Å; S95-N98 PolarHBondContact OG-OD1 3.42Å; W96-N98 VanDerWaalsContact C-N 3.25Å; W96-N98 PolarHBondContact O-N 2.69Å; N98-E298 PolarHBondContact ND2-OE2 2.9Å
99	V	94.5	Very high	92.9	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-121.9	-11.9	-169.4	-55.2	0	0	0	0	115.4	C68 L91 L94 S95 W96 G101 L102 Y128	C68-V99 CarbonylContact O-C 3.57Å; C68-V99 VanDerWaalsContact O-C 3.3Å; L91-V99 HydrophobicContact CD1-CG1 3.99Å; L91-V99 HydrophobicContact CD2-CG1 4.27Å; L94-V99 HydrophobicContact CD1-CG1 4.1Å; S95-V99 WeakPolarHBondContact O-CG2 3.48Å; S95-V99 PolarHBondContact O-N 2.63Å; W96-V99 PolarHBondContact O-N 3.23Å; V99-G101 PolarHBondContact O-N 3.34Å; V99-L102 HydrophobicContact CB-CD1 3.85Å; V99-L102 HydrophobicContact CB-CG 4.4Å; V99-L102 HydrophobicContact CG1-CD1 4.08Å; V99-L102 VanDerWaalsContact O-CB 3.29Å; V99-L102 WeakPolarHBondContact O-CB 3.36Å; V99-L102 WeakPolarHBondContact O-CG 3.49Å; V99-L102 PolarHBondContact O-N 2.98Å; V99-Y128 HydrophobicContact CB-CE1 3.84Å; V99-Y128 HydrophobicContact CG2-CE1 3.88Å; V99-Y128 HydrophobicContact CG2-CE2 3.93Å; V99-Y128 PolarHBondContact O-OH 3Å
100	G	92.9	Very high	92.4	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-24.8	-171.5	0	0	0	0	0	115.3	W96	W96-G100 WeakPolarHBondContact O-CA 3.46Å; W96-G100 PolarHBondContact O-N 2.92Å
101	G	93.6	Very high	91.8	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.9	0.5	177	0	0	0	0	0	114.6	C68 G69 V99 S103 G104 M105	C68-G101 WeakPolarHBondContact O-CA 3.41Å; C68-G101 PolarHBondContact O-N 3.33Å; G69-G101 VanDerWaalsContact C-N 3.35Å; G69-G101 WeakPolarHBondContact O-CA 3.26Å; V99-G101 PolarHBondContact O-N 3.34Å; G101-S103 VanDerWaalsContact C-N 3.33Å; G101-S103 PolarHBondContact O-N 3.35Å; G101-G104 PolarHBondContact O-N 2.82Å; G101-M105 WeakPolarHBondContact O-CB 3.16Å; G101-M105 PolarHBondContact O-N 2.89Å
102	L	93.1	Very high	91.4	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-64.3	-35.6	-176.6	-78	178.5	0	0	0	112.9	C68 I89 L91 V99 M105 I106 L119 Y128 I132	C68-L102 HydrophobicContact CB-CD2 3.61Å; C68-L102 HydrophobicContact CB-CG 4.05Å; I89-L102 HydrophobicContact CD1-CD2 4.04Å; I89-L102 HydrophobicContact CG2-CD2 4.36Å; L91-L102 HydrophobicContact CD1-CD1 3.91Å; L91-L102 HydrophobicContact CD2-CD1 4.44Å; V99-L102 HydrophobicContact CB-CD1 3.85Å; V99-L102 HydrophobicContact CB-CG 4.4Å; V99-L102 HydrophobicContact CG1-CD1 4.08Å; V99-L102 VanDerWaalsContact O-CB 3.29Å; V99-L102 WeakPolarHBondContact O-CB 3.36Å; V99-L102 WeakPolarHBondContact O-CG 3.49Å; V99-L102 PolarHBondContact O-N 2.98Å; L102-M105 PolarHBondContact O-N 3.35Å; L102-I106 HydrophobicContact CB-CD1 4.4Å; L102-I106 VanDerWaalsContact O-CB 3.29Å; L102-I106 WeakPolarHBondContact O-CB 3.32Å; L102-I106 WeakPolarHBondContact O-CD1 3.39Å; L102-I106 WeakPolarHBondContact O-CG1 3.42Å; L102-I106 PolarHBondContact O-N 2.89Å; L102-L119 HydrophobicContact CD1-CD2 3.98Å; L102-L119 HydrophobicContact CD2-CD2 4.06Å; L102-Y128 HydrophobicContact CB-CE1 4.39Å; L102-Y128 HydrophobicContact CD1-CD1 4.44Å; L102-Y128 HydrophobicContact CD1-CE1 3.99Å; L102-I132 HydrophobicContact CB-CD1 4.24Å
103	S	90.3	Very high	91	Very high	2 Å²	2	24.6 Å²	24.6	1%	0.014	13%	0.133	C	C	.	.	H	α-helix	trans	-59.2	-52.4	178.1	55.6	0	0	0	0	111.2	G101 I106 L107	G101-S103 VanDerWaalsContact C-N 3.33Å; G101-S103 PolarHBondContact O-N 3.35Å; S103-I106 PolarHBondContact O-N 2.93Å; S103-L107 WeakPolarHBondContact O-CG 3.34Å; S103-L107 PolarHBondContact O-N 2.88Å
104	G	89	Confident	90.8	Very high	14 Å²	14	22.6 Å²	22.6	14%	0.144	13%	0.126	C	C	.	.	H	α-helix	trans	-64.9	-38.8	176.2	0	0	0	0	0	113.3	G101 L107 T108	G101-G104 PolarHBondContact O-N 2.82Å; G104-L107 PolarHBondContact O-N 2.83Å; G104-T108 PolarHBondContact O-N 3.47Å; G104-T108 PolarHBondContact O-OG1 3.18Å
105	M	92.9	Very high	90.6	Very high	2 Å²	2	26.1 Å²	26.1	1%	0.01	15%	0.149	C	C	.	.	H	α-helix	trans	-64.6	-45.2	177.1	-172.9	57.4	68.7	0	0	112.1	L65 T72 Q73 M76 L86 I89 G101 L102 L107 T108 L109	L65-M105 HydrophobicContact CD2-CE 4.25Å; T72-M105 HydrophobicContact CG2-CE 4.08Å; Q73-M105 HydrophobicContact CB-CE 3.92Å; M76-M105 HydrophobicContact SD-CE 3.42Å; M76-M105 WeakPolarHBondContact SD-CE 3.45Å; M76-M105 HydrophobicContact SD-SD 4.24Å; L86-M105 HydrophobicContact CD2-SD 4.35Å; I89-M105 HydrophobicContact CD1-CG 4.4Å; G101-M105 WeakPolarHBondContact O-CB 3.16Å; G101-M105 PolarHBondContact O-N 2.89Å; L102-M105 PolarHBondContact O-N 3.35Å; M105-L107 VanDerWaalsContact C-N 3.32Å; M105-L107 PolarHBondContact O-N 3.09Å; M105-T108 CarbonylContact O-C 3.55Å; M105-T108 WeakPolarHBondContact O-CB 3.31Å; M105-T108 PolarHBondContact O-N 2.98Å; M105-T108 VanDerWaalsContact O-N 3.11Å; M105-L109 HydrophobicContact CG-CD1 4.24Å; M105-L109 HydrophobicContact CG-CG 4.4Å; M105-L109 VanDerWaalsContact O-CG 3.32Å; M105-L109 WeakPolarHBondContact O-CG 3.33Å; M105-L109 PolarHBondContact O-N 2.92Å; M105-L109 HydrophobicContact SD-CG 4.48Å
106	I	91.5	Very high	90.5	Very high	3 Å²	3	28.6 Å²	28.6	2%	0.015	16%	0.161	C	C	.	.	H	α-helix	trans	-60.9	-42.6	178.7	-73.2	163.7	0	0	0	110.8	L102 S103 T108 L109 K110 L129 L139 I142 L144	L102-I106 HydrophobicContact CB-CD1 4.4Å; L102-I106 VanDerWaalsContact O-CB 3.29Å; L102-I106 WeakPolarHBondContact O-CB 3.32Å; L102-I106 WeakPolarHBondContact O-CD1 3.39Å; L102-I106 WeakPolarHBondContact O-CG1 3.42Å; L102-I106 PolarHBondContact O-N 2.89Å; S103-I106 PolarHBondContact O-N 2.93Å; I106-T108 VanDerWaalsContact C-N 3.33Å; I106-T108 PolarHBondContact O-N 2.85Å; I106-L109 PolarHBondContact O-N 3.06Å; I106-K110 WeakPolarHBondContact O-CB 3.47Å; I106-K110 PolarHBondContact O-N 3.44Å; I106-L129 HydrophobicContact CD1-CD2 3.69Å; I106-L139 HydrophobicContact CG2-CD1 3.89Å; I106-L139 HydrophobicContact CG2-CD2 3.96Å; I106-I142 HydrophobicContact CG2-CG2 4.48Å; I106-L144 HydrophobicContact CD1-CD1 3.98Å; I106-L144 HydrophobicContact CG1-CD1 4.39Å; I106-L144 HydrophobicContact CG1-CD2 4.3Å; I106-L144 HydrophobicContact CG2-CD1 3.95Å; I106-L144 HydrophobicContact CG2-CD2 4.35Å
107	L	87	Confident	90.5	Very high	51 Å²	51	28.6 Å²	28.6	27%	0.267	16%	0.161	S	C	.	.	H	α-helix	trans	-61.9	-42.4	174.6	-67.6	173.7	0	0	0	111.2	S103 G104 M105 L109 K110 E111 L139	S103-L107 WeakPolarHBondContact O-CG 3.34Å; S103-L107 PolarHBondContact O-N 2.88Å; G104-L107 PolarHBondContact O-N 2.83Å; M105-L107 VanDerWaalsContact C-N 3.32Å; M105-L107 PolarHBondContact O-N 3.09Å; L107-L109 PolarHBondContact O-N 2.8Å; L107-K110 WeakPolarHBondContact O-CB 3.36Å; L107-K110 PolarHBondContact O-N 3.49Å; L107-E111 WeakPolarHBondContact O-CG 3.42Å; L107-E111 PolarHBondContact O-N 3.36Å; L107-L139 HydrophobicContact CD2-CD2 4.08Å
108	T	88.8	Confident	90.5	Very high	19 Å²	19	25.9 Å²	25.9	12%	0.117	15%	0.15	C	C	.	.	H	α-helix	trans	-63.1	-41.1	175.8	-60.2	0	0	0	0	112.3	Q73 G104 M105 I106 E111 T112	Q73-T108 VanDerWaalsContact CG-OG1 3.31Å; Q73-T108 WeakPolarHBondContact CG-OG1 3.03Å; G104-T108 PolarHBondContact O-N 3.47Å; G104-T108 PolarHBondContact O-OG1 3.18Å; M105-T108 CarbonylContact O-C 3.55Å; M105-T108 WeakPolarHBondContact O-CB 3.31Å; M105-T108 PolarHBondContact O-N 2.98Å; M105-T108 VanDerWaalsContact O-N 3.11Å; I106-T108 VanDerWaalsContact C-N 3.33Å; I106-T108 PolarHBondContact O-N 2.85Å; T108-E111 PolarHBondContact O-N 2.79Å; T108-T112 VanDerWaalsContact O-CB 3.28Å; T108-T112 WeakPolarHBondContact O-CB 3.48Å; T108-T112 PolarHBondContact O-N 3.16Å; T108-T112 PolarHBondContact O-OG1 3.38Å
109	L	90.7	Very high	90.5	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-65.8	-40.7	176.9	-69.4	174.6	0	0	0	111.8	A83 L86 I89 M105 I106 L107 T112 G113 V114 C117 I142	A83-L109 HydrophobicContact CB-CD2 4.16Å; L86-L109 HydrophobicContact CB-CD2 3.95Å; L86-L109 HydrophobicContact CD2-CD2 4.19Å; L86-L109 HydrophobicContact CG-CD2 4.35Å; I89-L109 HydrophobicContact CD1-CD1 4.37Å; M105-L109 HydrophobicContact CG-CD1 4.24Å; M105-L109 HydrophobicContact CG-CG 4.4Å; M105-L109 VanDerWaalsContact O-CG 3.32Å; M105-L109 WeakPolarHBondContact O-CG 3.33Å; M105-L109 PolarHBondContact O-N 2.92Å; M105-L109 HydrophobicContact SD-CG 4.48Å; I106-L109 PolarHBondContact O-N 3.06Å; L107-L109 PolarHBondContact O-N 2.8Å; L109-T112 PolarHBondContact O-N 3.42Å; L109-G113 PolarHBondContact O-N 3.26Å; L109-G113 VanDerWaalsContact O-N 3.09Å; L109-V114 HydrophobicContact CB-CB 4.29Å; L109-V114 HydrophobicContact CB-CG2 4.46Å; L109-V114 HydrophobicContact CD2-CB 4.41Å; L109-V114 HydrophobicContact CD2-CG2 3.88Å; L109-V114 PolarHBondContact O-N 3.25Å; L109-C117 HydrophobicContact CD1-CB 4.28Å; L109-I142 HydrophobicContact CB-CD1 3.72Å
110	K	87.8	Confident	90.5	Very high	70 Å²	70	25.6 Å²	25.6	30%	0.304	15%	0.148	S	C	.	.	H	α-helix	trans	-59.1	-50.4	173.1	179.2	-174.6	170.4	-173.5	0	110.9	I106 L107 T112 G113 P138 L139 A141 I142	I106-K110 WeakPolarHBondContact O-CB 3.47Å; I106-K110 PolarHBondContact O-N 3.44Å; L107-K110 WeakPolarHBondContact O-CB 3.36Å; L107-K110 PolarHBondContact O-N 3.49Å; K110-T112 VanDerWaalsContact C-N 3.34Å; K110-T112 PolarHBondContact O-N 2.88Å; K110-G113 WeakPolarHBondContact O-CA 3.42Å; K110-G113 PolarHBondContact O-N 3.28Å; K110-P138 PolarHBondContact NZ-O 3.5Å; K110-L139 HydrophobicContact CD-CD2 4.34Å; K110-A141 HydrophobicContact CG-CB 4.07Å; K110-I142 HydrophobicContact CB-CB 4.46Å; K110-I142 HydrophobicContact CB-CG2 4.09Å; K110-I142 HydrophobicContact CG-CG2 4.44Å
111	E	85.3	Confident	90.4	Very high	113 Å²	113	25.7 Å²	25.7	53%	0.528	15%	0.149	S	C	.	.	H	α-helix	trans	-64.7	-36.6	178.3	-71.9	-171.4	159.1	0	0	112.7	L107 T108 G113 R716	L107-E111 WeakPolarHBondContact O-CG 3.42Å; L107-E111 PolarHBondContact O-N 3.36Å; T108-E111 PolarHBondContact O-N 2.79Å; E111-G113 PolarHBondContact O-N 3.25Å; E111-R716 IonicContact OE1-CZ 2.92Å; E111-R716 IonicContact OE1-NH1 3.23Å; E111-R716 IonicContact OE1-NH2 3.63Å; E111-R716 PolarHBondContact OE1-NH2 2.9Å; E111-R716 IonicContact OE2-NH2 3.93Å
112	T	87.5	Confident	90	Very high	59 Å²	59	26 Å²	26	36%	0.362	15%	0.151	S	C	.	.	H	α-helix	trans	-67.6	-15.6	174	-58.1	0	0	0	0	112.1	A83 A84 T108 L109 K110 V114	A83-T112 HydrophobicContact CB-CG2 4.47Å; A84-T112 HydrophobicContact CB-CG2 4.1Å; T108-T112 VanDerWaalsContact O-CB 3.28Å; T108-T112 WeakPolarHBondContact O-CB 3.48Å; T108-T112 PolarHBondContact O-N 3.16Å; T108-T112 PolarHBondContact O-OG1 3.38Å; L109-T112 PolarHBondContact O-N 3.42Å; K110-T112 VanDerWaalsContact C-N 3.34Å; K110-T112 PolarHBondContact O-N 2.88Å; T112-V114 HydrophobicContact CG2-CG2 4.31Å
113	G	87.4	Confident	89.7	Confident	35 Å²	35	27.9 Å²	27.9	36%	0.361	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.7	37.9	-178.7	0	0	0	0	0	112.7	R20 L109 K110 E111	R20-G113 PolarHBondContact NH1-O 2.98Å; L109-G113 PolarHBondContact O-N 3.26Å; L109-G113 VanDerWaalsContact O-N 3.09Å; K110-G113 WeakPolarHBondContact O-CA 3.42Å; K110-G113 PolarHBondContact O-N 3.28Å; E111-G113 PolarHBondContact O-N 3.25Å
114	V	87.8	Confident	89.5	Confident	3 Å²	3	28.7 Å²	28.7	2%	0.018	17%	0.167	C	C	.	.			trans	-74.9	122.5	168.3	178.2	0	0	0	0	108.2	L109 T112 E116 I142	L109-V114 HydrophobicContact CB-CB 4.29Å; L109-V114 HydrophobicContact CB-CG2 4.46Å; L109-V114 HydrophobicContact CD2-CB 4.41Å; L109-V114 HydrophobicContact CD2-CG2 3.88Å; L109-V114 PolarHBondContact O-N 3.25Å; T112-V114 HydrophobicContact CG2-CG2 4.31Å; V114-E116 WeakPolarHBondContact CG1-O 3.47Å; V114-I142 WeakPolarHBondContact O-CG1 3.43Å
115	P	86.6	Confident	89.5	Confident	88 Å²	88	28.1 Å²	28.1	57%	0.571	16%	0.16	S	C	*	.			trans	-75.1	-35.9	-170.8	28.6	-34.2	0	0	0	113.2	K143	P115-K143 PolarHBondContact O-N 3.29Å
116	E	91.9	Very high	89.4	Confident	53 Å²	53	35.5 Å²	35.5	25%	0.248	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	137.7	-177.9	-178	170.9	-144.8	0	0	109.2	D87 V114 V118 K143 S145	D87-E116 WeakPolarHBondContact CB-O 3.14Å; V114-E116 WeakPolarHBondContact CG1-O 3.47Å; E116-V118 HydrophobicContact CG-CG2 4.41Å; E116-K143 CarbonylContact C-O 3.6Å; E116-K143 VanDerWaalsContact CA-O 3.24Å; E116-K143 WeakPolarHBondContact CA-O 3.34Å; E116-K143 HydrophobicContact CB-CB 4.19Å; E116-K143 HydrophobicContact CG-CB 4.18Å; E116-K143 HydrophobicContact CG-CD 4.2Å; E116-K143 HydrophobicContact CG-CG 4.28Å; E116-K143 WeakPolarHBondContact OE1-CD 3.34Å; E116-K143 VanDerWaalsContact OE1-CE 3.23Å; E116-K143 WeakPolarHBondContact OE1-CE 3.39Å; E116-K143 IonicContact OE1-NZ 3.7Å; E116-K143 PolarHBondContact OE1-NZ 2.94Å; E116-S145 PolarHBondContact OE1-OG 2.95Å
117	C	93.1	Very high	89.3	Confident	1 Å²	1	38.2 Å²	38.2	1%	0.007	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	124	170.7	-174.9	0	0	0	0	108.6	D87 L109 I142 K143 L144 S145	D87-C117 CarbonylContact O-C 3.21Å; D87-C117 WeakPolarHBondContact O-CA 3.33Å; L109-C117 HydrophobicContact CD1-CB 4.28Å; C117-I142 HydrophobicContact CB-CD1 4.21Å; C117-K143 PolarHBondContact N-O 3.02Å; C117-L144 HydrophobicContact CB-CD2 4.06Å; C117-S145 PolarHBondContact O-N 3.32Å
118	V	94.4	Very high	89.5	Confident	25 Å²	25	36 Å²	36	15%	0.152	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	119.1	177.6	-175.2	0	0	0	0	108.4	D87 N88 I89 E116 S145 R147	D87-V118 PolarHBondContact O-N 3.11Å; N88-V118 WeakPolarHBondContact CA-O 3.45Å; I89-V118 PolarHBondContact N-O 3.44Å; E116-V118 HydrophobicContact CG-CG2 4.41Å; V118-S145 CarbonylContact C-O 3.5Å; V118-S145 WeakPolarHBondContact CA-O 3.38Å; V118-R147 HydrophobicContact CG1-CB 4.13Å
119	L	94.9	Very high	89.5	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	125.5	173.8	-56.4	84.2	0	0	0	109.1	I89 L91 L102 L125 L129 L144 S145 V146 R147	I89-L119 HydrophobicContact CB-CG 4.39Å; I89-L119 CarbonylContact O-C 3.55Å; I89-L119 VanDerWaalsContact O-CA 3.3Å; I89-L119 WeakPolarHBondContact O-CA 3.43Å; L91-L119 HydrophobicContact CD1-CD2 4.42Å; L102-L119 HydrophobicContact CD1-CD2 3.98Å; L102-L119 HydrophobicContact CD2-CD2 4.06Å; L119-L125 HydrophobicContact CB-CD2 3.48Å; L119-L125 VanDerWaalsContact CB-CD2 3.48Å; L119-L125 HydrophobicContact CB-CG 4.41Å; L119-L125 HydrophobicContact CD2-CD1 4.43Å; L119-L125 HydrophobicContact CD2-CD2 4.34Å; L119-L129 HydrophobicContact CD1-CD1 4.08Å; L119-L129 HydrophobicContact CD2-CD1 4.4Å; L119-L129 HydrophobicContact CD2-CD2 4.09Å; L119-L144 HydrophobicContact CD1-CD2 4.37Å; L119-S145 PolarHBondContact N-O 3.04Å; L119-V146 CarbonylContact O-C 3.48Å; L119-V146 WeakPolarHBondContact O-CA 3.24Å; L119-R147 PolarHBondContact O-N 3.07Å
120	S	94.6	Very high	89.4	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	137.7	177.1	-45	0	0	0	0	109.3	I89 F90 L91 R147	I89-S120 PolarHBondContact O-N 3.25Å; F90-S120 CarbonylContact C-O 3.56Å; F90-S120 WeakPolarHBondContact CA-O 3.48Å; L91-S120 PolarHBondContact N-O 3.05Å; S120-R147 PolarHBondContact OG-NH1 2.91Å
121	G	89.4	Confident	89.4	Confident	1 Å²	1	38.1 Å²	38.1	1%	0.01	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	160.6	-158.9	-179.9	0	0	0	0	0	113.7	L91 Y149	L91-G121 WeakPolarHBondContact O-CA 3.44Å; G121-Y149 WeakPolarHBondContact O-CB 3.35Å; G121-Y149 PolarHBondContact O-N 3.21Å
122	P	86.4	Confident	89.5	Confident	8 Å²	8	32.8 Å²	32.8	5%	0.052	18%	0.18	C	C	.	.	S	Bend	trans	-59.5	163.4	-173.3	22.1	-33.5	0	0	0	113.7	L91 L94	L91-P122 WeakPolarHBondContact O-CD 3.26Å; L94-P122 HydrophobicContact CB-CB 4.38Å; L94-P122 HydrophobicContact CB-CG 3.78Å
123	P	85.7	Confident	89.4	Confident	39 Å²	39	35.1 Å²	35.1	25%	0.253	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	162.4	178.5	26.6	-34.8	0	0	0	111.3	L125 Y149 L227	P123-L125 PolarHBondContact O-N 3.07Å; P123-Y149 HydrophobicContact CB-CE1 4.22Å; P123-Y149 HydrophobicContact CG-CE1 4.21Å; P123-L227 HydrophobicContact CG-CD2 4.19Å
124	Q	87.2	Confident	89.1	Confident	19 Å²	19	36.7 Å²	36.7	9%	0.089	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.5	2.2	175.8	-40.8	-174.1	14.2	0	0	117	L94 K126 N127 Y128 V221 A222 F582	L94-Q124 HydrophobicContact CD2-CB 4.11Å; Q124-K126 PolarHBondContact O-N 3.43Å; Q124-K126 VanDerWaalsContact O-N 3.1Å; Q124-N127 WeakPolarHBondContact O-CA 3.19Å; Q124-N127 WeakPolarHBondContact O-CB 3.3Å; Q124-N127 PolarHBondContact O-N 3.11Å; Q124-Y128 PolarHBondContact O-N 3.41Å; Q124-V221 PolarHBondContact NE2-O 3.15Å; Q124-A222 PolarHBondContact NE2-O 3.33Å; Q124-F582 HydrophobicContact CB-CB 4.43Å; Q124-F582 PolarHBondContact OE1-O 3.49Å; Q124-F582 VanDerWaalsContact OE1-O 3.06Å
125	L	88.4	Confident	88.8	Confident	1 Å²	1	37.3 Å²	37.3	1%	0.005	19%	0.193	C	C	.	.	H	α-helix	trans	-52.8	-35	172.1	-173.8	57.4	0	0	0	112.9	L91 L94 L119 P123 N127 Y128 L129 V146	L91-L125 HydrophobicContact CD1-CD1 3.49Å; L91-L125 VanDerWaalsContact CD1-CD1 3.49Å; L91-L125 HydrophobicContact CD1-CD2 3.77Å; L91-L125 HydrophobicContact CD1-CG 4.3Å; L94-L125 HydrophobicContact CD1-CD1 4.01Å; L119-L125 HydrophobicContact CB-CD2 3.48Å; L119-L125 VanDerWaalsContact CB-CD2 3.48Å; L119-L125 HydrophobicContact CB-CG 4.41Å; L119-L125 HydrophobicContact CD2-CD1 4.43Å; L119-L125 HydrophobicContact CD2-CD2 4.34Å; P123-L125 PolarHBondContact O-N 3.07Å; L125-N127 VanDerWaalsContact C-N 3.34Å; L125-N127 PolarHBondContact O-N 3.12Å; L125-Y128 HydrophobicContact CD1-CD1 4.35Å; L125-Y128 PolarHBondContact O-N 3.32Å; L125-L129 WeakPolarHBondContact O-CB 3.36Å; L125-L129 VanDerWaalsContact O-CG 3.27Å; L125-L129 WeakPolarHBondContact O-CG 3.42Å; L125-L129 PolarHBondContact O-N 3.09Å; L125-V146 HydrophobicContact CB-CG1 4.07Å; L125-V146 HydrophobicContact CB-CG2 4.47Å; L125-V146 HydrophobicContact CD2-CG1 4.18Å; L125-V146 HydrophobicContact CD2-CG2 4.4Å; L125-V146 HydrophobicContact CG-CG1 4.39Å; L125-V146 HydrophobicContact CG-CG2 4.2Å
126	K	90.1	Very high	88.3	Confident	157 Å²	157	34 Å²	34	68%	0.683	17%	0.173	S	C	*	.	H	α-helix	trans	-61.5	-39.3	173.6	-171.9	179.6	179.3	-177.4	0	112.8	Q124 H130 V146	Q124-K126 PolarHBondContact O-N 3.43Å; Q124-K126 VanDerWaalsContact O-N 3.1Å; K126-H130 PolarHBondContact O-N 3.38Å; K126-V146 HydrophobicContact CB-CG2 4.26Å
127	N	90.7	Very high	87.4	Confident	61 Å²	61	33.1 Å²	33.1	33%	0.326	18%	0.177	S	C	.	.	H	α-helix	trans	-70.8	-41.5	177.7	-61.1	-22.5	0	0	0	110.4	Q124 L125 L129 H130 A131 F582	Q124-N127 WeakPolarHBondContact O-CA 3.19Å; Q124-N127 WeakPolarHBondContact O-CB 3.3Å; Q124-N127 PolarHBondContact O-N 3.11Å; L125-N127 VanDerWaalsContact C-N 3.34Å; L125-N127 PolarHBondContact O-N 3.12Å; N127-L129 PolarHBondContact O-N 3.24Å; N127-H130 WeakPolarHBondContact O-CB 3.4Å; N127-H130 PolarHBondContact O-N 3Å; N127-H130 VanDerWaalsContact O-N 3.15Å; N127-A131 WeakPolarHBondContact O-CB 3.41Å; N127-A131 PolarHBondContact O-N 3.11Å; N127-F582 HydrophobicContact CB-CD1 4.25Å; N127-F582 HydrophobicContact CB-CD2 3.63Å; N127-F582 HydrophobicContact CB-CE1 4.3Å; N127-F582 HydrophobicContact CB-CE2 3.72Å; N127-F582 HydrophobicContact CB-CG 3.93Å; N127-F582 HydrophobicContact CB-CZ 4.05Å
128	Y	90.4	Very high	86.4	Confident	3 Å²	3	37.5 Å²	37.5	1%	0.012	21%	0.206	C	C	.	.	H	α-helix	trans	-60.4	-44.5	173.7	-179.6	-102.5	0	0	0	112.2	W96 V99 L102 Q124 L125 H130 A131 I132 W575 Y579 C583	W96-Y128 HydrophobicContact CZ3-CE2 4.42Å; V99-Y128 HydrophobicContact CB-CE1 3.84Å; V99-Y128 HydrophobicContact CG2-CE1 3.88Å; V99-Y128 HydrophobicContact CG2-CE2 3.93Å; V99-Y128 PolarHBondContact O-OH 3Å; L102-Y128 HydrophobicContact CB-CE1 4.39Å; L102-Y128 HydrophobicContact CD1-CD1 4.44Å; L102-Y128 HydrophobicContact CD1-CE1 3.99Å; Q124-Y128 PolarHBondContact O-N 3.41Å; L125-Y128 HydrophobicContact CD1-CD1 4.35Å; L125-Y128 PolarHBondContact O-N 3.32Å; Y128-H130 VanDerWaalsContact C-N 3.28Å; Y128-H130 PolarHBondContact O-N 3.29Å; Y128-A131 WeakPolarHBondContact O-CB 3.34Å; Y128-A131 PolarHBondContact O-N 2.97Å; Y128-A131 VanDerWaalsContact O-N 3.09Å; Y128-I132 HydrophobicContact CD1-CD1 3.77Å; Y128-I132 HydrophobicContact CD1-CG1 4.49Å; Y128-I132 HydrophobicContact CE1-CD1 3.19Å; Y128-I132 HydrophobicContact CE1-CG1 4.04Å; Y128-I132 PolarHBondContact O-N 2.9Å; Y128-W575 HydrophobicContact CD2-CH2 4.44Å; Y128-W575 AromaticContact CE2-CH2 3.72Å; Y128-W575 HydrophobicContact CE2-CH2 3.72Å; Y128-W575 HydrophobicContact CE2-CZ3 4.34Å; Y128-Y579 HydrophobicContact CD2-CD2 4.32Å; Y128-Y579 AromaticContact CE2-CD2 3.91Å; Y128-Y579 HydrophobicContact CE2-CD2 3.91Å; Y128-Y579 HydrophobicContact CE2-CE2 4.13Å; Y128-C583 WeakPolarHBondContact CD2-SG 3.37Å
129	L	89.7	Confident	85.6	Confident	11 Å²	11	37 Å²	37	6%	0.058	20%	0.202	C	C	.	.	H	α-helix	trans	-63.6	-33.6	174.5	-70.1	176.2	0	0	0	112.6	I106 L119 L125 N127 K133 L144 V146	I106-L129 HydrophobicContact CD1-CD2 3.69Å; L119-L129 HydrophobicContact CD1-CD1 4.08Å; L119-L129 HydrophobicContact CD2-CD1 4.4Å; L119-L129 HydrophobicContact CD2-CD2 4.09Å; L125-L129 WeakPolarHBondContact O-CB 3.36Å; L125-L129 VanDerWaalsContact O-CG 3.27Å; L125-L129 WeakPolarHBondContact O-CG 3.42Å; L125-L129 PolarHBondContact O-N 3.09Å; N127-L129 PolarHBondContact O-N 3.24Å; L129-K133 WeakPolarHBondContact O-CG 3.37Å; L129-K133 PolarHBondContact O-N 3.49Å; L129-L144 HydrophobicContact CD2-CD1 4.45Å; L129-V146 HydrophobicContact CD1-CG2 3.54Å
130	H	88.1	Confident	84.7	Confident	123 Å²	123	45.8 Å²	45.8	57%	0.569	24%	0.243	S	C	*	.	H	α-helix	trans	-67.2	-40	172	-177	-89.1	0	0	0	111.3	K126 N127 Y128 K133	K126-H130 PolarHBondContact O-N 3.38Å; N127-H130 WeakPolarHBondContact O-CB 3.4Å; N127-H130 PolarHBondContact O-N 3Å; N127-H130 VanDerWaalsContact O-N 3.15Å; Y128-H130 VanDerWaalsContact C-N 3.28Å; Y128-H130 PolarHBondContact O-N 3.29Å; H130-K133 WeakPolarHBondContact O-CB 3.48Å; H130-K133 PolarHBondContact O-N 3.32Å
131	A	88.3	Confident	83.9	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-63.2	-41.3	177.3	0	0	0	0	0	112.1	N127 Y128 K133 S134 W575 Q578	N127-A131 WeakPolarHBondContact O-CB 3.41Å; N127-A131 PolarHBondContact O-N 3.11Å; Y128-A131 WeakPolarHBondContact O-CB 3.34Å; Y128-A131 PolarHBondContact O-N 2.97Å; Y128-A131 VanDerWaalsContact O-N 3.09Å; A131-K133 VanDerWaalsContact C-N 3.26Å; A131-K133 PolarHBondContact O-N 3.23Å; A131-S134 VanDerWaalsContact O-CB 3.3Å; A131-S134 WeakPolarHBondContact O-CB 3.4Å; A131-S134 PolarHBondContact O-N 3.05Å; A131-S134 VanDerWaalsContact O-N 3.1Å; A131-S134 PolarHBondContact O-OG 3.1Å; A131-W575 HydrophobicContact CB-CE3 3.74Å; A131-W575 HydrophobicContact CB-CZ3 3.51Å; A131-Q578 HydrophobicContact CB-CB 3.89Å
132	I	87.1	Confident	83.7	Confident	2 Å²	2	49.6 Å²	49.6	1%	0.01	27%	0.273	C	S	.	.	H	α-helix	trans	-59	-36	175	-71.2	170.8	0	0	0	112.5	L102 Y128 S134 F135 S136 W575	L102-I132 HydrophobicContact CB-CD1 4.24Å; Y128-I132 HydrophobicContact CD1-CD1 3.77Å; Y128-I132 HydrophobicContact CD1-CG1 4.49Å; Y128-I132 HydrophobicContact CE1-CD1 3.19Å; Y128-I132 HydrophobicContact CE1-CG1 4.04Å; Y128-I132 PolarHBondContact O-N 2.9Å; I132-S134 PolarHBondContact O-N 2.8Å; I132-S134 VanDerWaalsContact O-N 3.13Å; I132-F135 HydrophobicContact CB-CZ 4.2Å; I132-F135 HydrophobicContact CG1-CZ 4.06Å; I132-F135 HydrophobicContact CG2-CE2 4.29Å; I132-F135 HydrophobicContact CG2-CZ 4.12Å; I132-F135 PolarHBondContact O-N 3.09Å; I132-S136 VanDerWaalsContact CG2-OG 3.23Å; I132-S136 WeakPolarHBondContact CG2-OG 3.47Å; I132-S136 WeakPolarHBondContact O-CB 3.39Å; I132-S136 PolarHBondContact O-N 3.41Å; I132-S136 PolarHBondContact O-OG 3.19Å; I132-W575 HydrophobicContact CG1-CH2 4.14Å; I132-W575 HydrophobicContact CG1-CZ3 4.25Å
133	K	84.4	Confident	83.9	Confident	107 Å²	107	55 Å²	55	47%	0.465	30%	0.295	S	S	.	.	H	α-helix	trans	-62.7	-19.5	179.5	-70.2	173.8	-176.7	-176.5	0	113.1	L129 H130 A131 F135 L139	L129-K133 WeakPolarHBondContact O-CG 3.37Å; L129-K133 PolarHBondContact O-N 3.49Å; H130-K133 WeakPolarHBondContact O-CB 3.48Å; H130-K133 PolarHBondContact O-N 3.32Å; A131-K133 VanDerWaalsContact C-N 3.26Å; A131-K133 PolarHBondContact O-N 3.23Å; K133-F135 PolarHBondContact O-N 2.59Å; K133-L139 HydrophobicContact CG-CD1 3.91Å
134	S	81.6	Confident	84.1	Confident	69 Å²	69	54.9 Å²	54.9	48%	0.483	29%	0.293	S	S	.	.	H	α-helix	trans	-64.2	-27.2	178.5	68.4	0	0	0	0	113.5	A131 I132	A131-S134 VanDerWaalsContact O-CB 3.3Å; A131-S134 WeakPolarHBondContact O-CB 3.4Å; A131-S134 PolarHBondContact O-N 3.05Å; A131-S134 VanDerWaalsContact O-N 3.1Å; A131-S134 PolarHBondContact O-OG 3.1Å; I132-S134 PolarHBondContact O-N 2.8Å; I132-S134 VanDerWaalsContact O-N 3.13Å
135	F	81.8	Confident	84.3	Confident	16 Å²	16	55.6 Å²	55.6	7%	0.07	30%	0.3	C	S	.	.	H	α-helix	trans	-123.7	-17.2	-178.6	59.6	-98.3	0	0	0	114.2	I132 K133 L535 A537 H540 T541 W575	I132-F135 HydrophobicContact CB-CZ 4.2Å; I132-F135 HydrophobicContact CG1-CZ 4.06Å; I132-F135 HydrophobicContact CG2-CE2 4.29Å; I132-F135 HydrophobicContact CG2-CZ 4.12Å; I132-F135 PolarHBondContact O-N 3.09Å; K133-F135 PolarHBondContact O-N 2.59Å; F135-L535 VanDerWaalsContact CB-O 3.28Å; F135-L535 WeakPolarHBondContact CB-O 3.49Å; F135-A537 HydrophobicContact CD2-CB 3.97Å; F135-A537 HydrophobicContact CE2-CB 4.1Å; F135-H540 AromaticContact CG-NE2 3.83Å; F135-T541 HydrophobicContact CE2-CG2 4.06Å; F135-T541 HydrophobicContact CZ-CG2 4.4Å; F135-W575 HydrophobicContact CD1-CD2 4.06Å; F135-W575 HydrophobicContact CD1-CE3 4.19Å; F135-W575 HydrophobicContact CD1-CG 4.28Å; F135-W575 AromaticContact CE1-CD2 3.51Å; F135-W575 HydrophobicContact CE1-CD2 3.51Å; F135-W575 AromaticContact CE1-CE2 3.67Å; F135-W575 AromaticContact CE1-CE3 3.51Å; F135-W575 HydrophobicContact CE1-CE3 3.51Å; F135-W575 HydrophobicContact CE1-CG 4.17Å; F135-W575 AromaticContact CE1-CH2 3.77Å; F135-W575 HydrophobicContact CE1-CH2 3.77Å; F135-W575 AromaticContact CE1-CZ2 3.8Å; F135-W575 HydrophobicContact CE1-CZ2 3.8Å; F135-W575 AromaticContact CE1-CZ3 3.63Å; F135-W575 HydrophobicContact CE1-CZ3 3.63Å; F135-W575 HydrophobicContact CZ-CH2 4.02Å; F135-W575 HydrophobicContact CZ-CZ2 4.02Å; F135-W575 HydrophobicContact CZ-CZ3 4.29Å
136	S	76.8	Confident	84.5	Confident	19 Å²	19	58 Å²	58	13%	0.133	31%	0.314	C	S	.	.	H	α-helix	trans	-88.5	-4.9	179.7	-57.8	0	0	0	0	114.3	I132	I132-S136 VanDerWaalsContact CG2-OG 3.23Å; I132-S136 WeakPolarHBondContact CG2-OG 3.47Å; I132-S136 WeakPolarHBondContact O-CB 3.39Å; I132-S136 PolarHBondContact O-N 3.41Å; I132-S136 PolarHBondContact O-OG 3.19Å
137	G	72.8	Confident	84.6	Confident	33 Å²	33	52.2 Å²	52.2	34%	0.34	29%	0.288	S	S	.	.			trans	71	-166.9	-179.2	0	0	0	0	0	114.6	L139	G137-L139 PolarHBondContact O-N 3.47Å
138	P	71.6	Confident	84.4	Confident	94 Å²	94	51.6 Å²	51.6	61%	0.61	29%	0.287	S	S	*	.			trans	-66.6	126.1	-175.1	-19.8	31.9	0	0	0	113	K110 E140	K110-P138 PolarHBondContact NZ-O 3.5Å; P138-E140 HydrophobicContact CB-CG 4.43Å
139	L	78	Confident	84	Confident	14 Å²	14	54.4 Å²	54.4	7%	0.073	30%	0.298	C	S	.	.			trans	-103.9	23.1	179.3	-62.2	178	0	0	0	113.2	I106 L107 K110 K133 G137 A141 I142 L144	I106-L139 HydrophobicContact CG2-CD1 3.89Å; I106-L139 HydrophobicContact CG2-CD2 3.96Å; L107-L139 HydrophobicContact CD2-CD2 4.08Å; K110-L139 HydrophobicContact CD-CD2 4.34Å; K133-L139 HydrophobicContact CG-CD1 3.91Å; G137-L139 PolarHBondContact O-N 3.47Å; L139-A141 PolarHBondContact O-N 2.8Å; L139-I142 HydrophobicContact CB-CG2 4.37Å; L139-I142 PolarHBondContact O-N 2.67Å; L139-I142 VanDerWaalsContact O-N 3.08Å; L139-L144 HydrophobicContact CD1-CD1 3.87Å
140	E	75.1	Confident	83.7	Confident	185 Å²	185	58.5 Å²	58.5	86%	0.864	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-23.1	-171.4	-63.3	174.6	-175.9	0	0	114.8	P138 I142	P138-E140 HydrophobicContact CB-CG 4.43Å; E140-I142 VanDerWaalsContact C-N 3.31Å; E140-I142 PolarHBondContact O-N 3.38Å
141	A	78.1	Confident	83.6	Confident	71 Å²	71	57.4 Å²	57.4	59%	0.587	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-4.4	179.7	0	0	0	0	0	114.6	K110 L139	K110-A141 HydrophobicContact CG-CB 4.07Å; L139-A141 PolarHBondContact O-N 2.8Å
142	I	85.6	Confident	83.1	Confident	9 Å²	9	64 Å²	64	5%	0.046	35%	0.35	C	S	.	.	S	Bend	trans	-135.1	128.5	175.2	-174.1	170	0	0	0	110.6	I106 L109 K110 V114 C117 L139 E140 L144	I106-I142 HydrophobicContact CG2-CG2 4.48Å; L109-I142 HydrophobicContact CB-CD1 3.72Å; K110-I142 HydrophobicContact CB-CB 4.46Å; K110-I142 HydrophobicContact CB-CG2 4.09Å; K110-I142 HydrophobicContact CG-CG2 4.44Å; V114-I142 WeakPolarHBondContact O-CG1 3.43Å; C117-I142 HydrophobicContact CB-CD1 4.21Å; L139-I142 HydrophobicContact CB-CG2 4.37Å; L139-I142 PolarHBondContact O-N 2.67Å; L139-I142 VanDerWaalsContact O-N 3.08Å; E140-I142 VanDerWaalsContact C-N 3.31Å; E140-I142 PolarHBondContact O-N 3.38Å; I142-L144 HydrophobicContact CD1-CD2 4.1Å; I142-L144 HydrophobicContact CG1-CD2 4.15Å; I142-L144 HydrophobicContact CG2-CD2 4.43Å; I142-L144 HydrophobicContact CG2-CG 4.45Å; I142-L144 PolarHBondContact O-N 3.49Å
143	K	89.6	Confident	83.1	Confident	121 Å²	121	68.2 Å²	68.2	53%	0.526	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	116.4	172.4	-174.6	-178.3	171.8	-150.2	0	109.4	P115 E116 C117	P115-K143 PolarHBondContact O-N 3.29Å; E116-K143 CarbonylContact C-O 3.6Å; E116-K143 VanDerWaalsContact CA-O 3.24Å; E116-K143 WeakPolarHBondContact CA-O 3.34Å; E116-K143 HydrophobicContact CB-CB 4.19Å; E116-K143 HydrophobicContact CG-CB 4.18Å; E116-K143 HydrophobicContact CG-CD 4.2Å; E116-K143 HydrophobicContact CG-CG 4.28Å; E116-K143 WeakPolarHBondContact OE1-CD 3.34Å; E116-K143 VanDerWaalsContact OE1-CE 3.23Å; E116-K143 WeakPolarHBondContact OE1-CE 3.39Å; E116-K143 IonicContact OE1-NZ 3.7Å; E116-K143 PolarHBondContact OE1-NZ 2.94Å; C117-K143 PolarHBondContact N-O 3.02Å
144	L	90.6	Very high	83.4	Confident	38 Å²	38	63.9 Å²	63.9	20%	0.199	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	115.9	173.7	-60.2	177.4	0	0	0	109.4	I106 C117 L119 L129 L139 I142	I106-L144 HydrophobicContact CD1-CD1 3.98Å; I106-L144 HydrophobicContact CG1-CD1 4.39Å; I106-L144 HydrophobicContact CG1-CD2 4.3Å; I106-L144 HydrophobicContact CG2-CD1 3.95Å; I106-L144 HydrophobicContact CG2-CD2 4.35Å; C117-L144 HydrophobicContact CB-CD2 4.06Å; L119-L144 HydrophobicContact CD1-CD2 4.37Å; L129-L144 HydrophobicContact CD2-CD1 4.45Å; L139-L144 HydrophobicContact CD1-CD1 3.87Å; I142-L144 HydrophobicContact CD1-CD2 4.1Å; I142-L144 HydrophobicContact CG1-CD2 4.15Å; I142-L144 HydrophobicContact CG2-CD2 4.43Å; I142-L144 HydrophobicContact CG2-CG 4.45Å; I142-L144 PolarHBondContact O-N 3.49Å
145	S	91.5	Very high	83.9	Confident	33 Å²	33	67.1 Å²	67.1	23%	0.231	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	144.1	178.3	-80.7	0	0	0	0	110.1	E116 C117 V118 L119	E116-S145 PolarHBondContact OE1-OG 2.95Å; C117-S145 PolarHBondContact O-N 3.32Å; V118-S145 CarbonylContact C-O 3.5Å; V118-S145 WeakPolarHBondContact CA-O 3.38Å; L119-S145 PolarHBondContact N-O 3.04Å
146	V	91.9	Very high	84.3	Confident	52 Å²	52	67.5 Å²	67.5	32%	0.315	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	123.3	176.3	174.8	0	0	0	0	108.3	L119 L125 K126 L129	L119-V146 CarbonylContact O-C 3.48Å; L119-V146 WeakPolarHBondContact O-CA 3.24Å; L125-V146 HydrophobicContact CB-CG1 4.07Å; L125-V146 HydrophobicContact CB-CG2 4.47Å; L125-V146 HydrophobicContact CD2-CG1 4.18Å; L125-V146 HydrophobicContact CD2-CG2 4.4Å; L125-V146 HydrophobicContact CG-CG1 4.39Å; L125-V146 HydrophobicContact CG-CG2 4.2Å; K126-V146 HydrophobicContact CB-CG2 4.26Å; L129-V146 HydrophobicContact CD1-CG2 3.54Å
147	R	92.3	Very high	84.9	Confident	35 Å²	35	69.7 Å²	69.7	13%	0.132	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	119	166.9	177.3	177.1	-62.4	123.8	-7.3	108.2	V118 L119 S120 E151 H154	V118-R147 HydrophobicContact CG1-CB 4.13Å; L119-R147 PolarHBondContact O-N 3.07Å; S120-R147 PolarHBondContact OG-NH1 2.91Å; R147-E151 HydrophobicContact CG-CB 3.94Å; R147-E151 WeakPolarHBondContact CG-OE2 3.34Å; R147-E151 IonicContact NE-OE2 3.97Å; R147-H154 VanDerWaalsContact NH1-CB 3.32Å; R147-H154 PolarHBondContact NH1-ND1 2.74Å; R147-H154 PolarHBondContact NH2-ND1 3.22Å
148	P	87.3	Confident	85.8	Confident	48 Å²	48	68.1 Å²	68.1	31%	0.312	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	150.8	176.7	30.5	-34.6	0	0	0	110.6	T150 E151 Q163	P148-T150 PolarHBondContact O-N 3.27Å; P148-T150 VanDerWaalsContact O-N 3.11Å; P148-E151 WeakPolarHBondContact CD-OE1 3.4Å; P148-E151 HydrophobicContact CG-CB 4.45Å; P148-E151 HydrophobicContact CG-CG 3.95Å; P148-E151 PolarHBondContact O-N 3.39Å; P148-Q163 PolarHBondContact O-NE2 3.49Å; P148-Q163 VanDerWaalsContact O-NE2 3.14Å
149	Y	82.6	Confident	86.9	Confident	62 Å²	62	63.7 Å²	63.7	24%	0.243	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-18.7	175.4	77	-82.8	0	0	0	113.9	G121 P123 E151 P165 L227 I229	G121-Y149 WeakPolarHBondContact O-CB 3.35Å; G121-Y149 PolarHBondContact O-N 3.21Å; P123-Y149 HydrophobicContact CB-CE1 4.22Å; P123-Y149 HydrophobicContact CG-CE1 4.21Å; Y149-E151 VanDerWaalsContact C-N 3.27Å; Y149-E151 PolarHBondContact O-N 2.99Å; Y149-P165 HydrophobicContact CD2-CB 4.07Å; Y149-P165 HydrophobicContact CD2-CG 4.41Å; Y149-P165 HydrophobicContact CE2-CB 4.33Å; Y149-L227 HydrophobicContact CD1-CD2 4.46Å; Y149-L227 HydrophobicContact CE1-CD2 4.29Å; Y149-L227 HydrophobicContact CE2-CD2 4.34Å; Y149-I229 HydrophobicContact CD2-CD1 4.08Å; Y149-I229 HydrophobicContact CG-CD1 4.03Å
150	T	83.7	Confident	87.6	Confident	97 Å²	97	63.6 Å²	63.6	60%	0.595	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-19	175.9	56.5	0	0	0	0	113.2	P148 E152	P148-T150 PolarHBondContact O-N 3.27Å; P148-T150 VanDerWaalsContact O-N 3.11Å; T150-E152 PolarHBondContact O-N 2.96Å
151	E	85.3	Confident	88.6	Confident	101 Å²	101	54.8 Å²	54.8	47%	0.472	28%	0.282	S	S	.	.	S	Bend	trans	-78.1	107.7	169.5	-78.6	178.4	-148.9	0	0	108.7	R147 P148 Y149 M153 Q163	R147-E151 HydrophobicContact CG-CB 3.94Å; R147-E151 WeakPolarHBondContact CG-OE2 3.34Å; R147-E151 IonicContact NE-OE2 3.97Å; P148-E151 WeakPolarHBondContact CD-OE1 3.4Å; P148-E151 HydrophobicContact CG-CB 4.45Å; P148-E151 HydrophobicContact CG-CG 3.95Å; P148-E151 PolarHBondContact O-N 3.39Å; Y149-E151 VanDerWaalsContact C-N 3.27Å; Y149-E151 PolarHBondContact O-N 2.99Å; E151-M153 VanDerWaalsContact C-N 3.26Å; E151-M153 PolarHBondContact O-N 2.85Å; E151-M153 VanDerWaalsContact O-N 3.14Å; E151-Q163 PolarHBondContact O-NE2 3.5Å
152	E	76.9	Confident	89.4	Confident	139 Å²	139	55.1 Å²	55.1	65%	0.65	27%	0.269	S	S	*	.			trans	-61.3	-29.4	-167	-65.2	-171.9	161	0	0	114.5	T150 Y162 Q163	T150-E152 PolarHBondContact O-N 2.96Å; E152-Y162 WeakPolarHBondContact O-CA 3.44Å; E152-Q163 PolarHBondContact O-N 2.94Å
153	M	88.3	Confident	89.9	Confident	89 Å²	89	55.1 Å²	55.1	44%	0.438	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	149.7	-174.1	62.6	161.2	46.5	0	0	116	E151 T160 V161 Y162	E151-M153 VanDerWaalsContact C-N 3.26Å; E151-M153 PolarHBondContact O-N 2.85Å; E151-M153 VanDerWaalsContact O-N 3.14Å; M153-T160 HydrophobicContact CB-CG2 4.36Å; M153-T160 HydrophobicContact CE-CG2 3.83Å; M153-T160 HydrophobicContact SD-CG2 4.3Å; M153-V161 CarbonylContact C-O 3.57Å; M153-V161 VanDerWaalsContact CA-O 3.27Å; M153-V161 WeakPolarHBondContact CA-O 3.28Å; M153-Y162 HydrophobicContact CB-CD1 4.1Å; M153-Y162 HydrophobicContact CB-CE1 4.33Å; M153-Y162 HydrophobicContact CE-CD1 3.92Å; M153-Y162 HydrophobicContact CE-CE1 3.11Å
154	H	90	Very high	90.1	Very high	17 Å²	17	49.5 Å²	49.5	8%	0.079	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	138.5	162.7	172	65.8	0	0	0	109.3	N88 F90 R147 D156 T160 V161	N88-H154 PolarHBondContact OD1-CE1 3.05Å; F90-H154 HydrophobicContact CE1-CB 4.46Å; F90-H154 AromaticContact CZ-CD2 3.92Å; R147-H154 VanDerWaalsContact NH1-CB 3.32Å; R147-H154 PolarHBondContact NH1-ND1 2.74Å; R147-H154 PolarHBondContact NH2-ND1 3.22Å; H154-D156 IonicContact CD2-OD2 2.71Å; H154-D156 IonicContact CE1-OD2 3.28Å; H154-D156 IonicContact NE2-OD2 3.75Å; H154-D156 PolarHBondContact NE2-OD2 3.5Å; H154-T160 CarbonylContact O-C 3.53Å; H154-T160 VanDerWaalsContact O-CA 3.28Å; H154-T160 WeakPolarHBondContact O-CA 3.37Å; H154-V161 HydrophobicContact CB-CB 4.32Å; H154-V161 PolarHBondContact N-O 2.98Å; H154-V161 PolarHBondContact O-N 2.72Å
155	K	91.8	Very high	90.2	Very high	137 Å²	137	49.5 Å²	49.5	60%	0.596	25%	0.247	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-137.9	132.6	176.6	-175.2	176.4	-179.4	-178.7	0	110.1	T160	K155-T160 HydrophobicContact CB-CG2 4.46Å
156	D	91	Very high	90.3	Very high	24 Å²	24	48.2 Å²	48.2	13%	0.128	24%	0.237	C	C	.	.			trans	-139.4	-159.6	175.4	60	36.9	0	0	0	111.2	Y64 H154 T158 M159 H236	Y64-D156 WeakPolarHBondContact CE1-OD2 2.96Å; Y64-D156 VanDerWaalsContact CZ-OD2 3.26Å; Y64-D156 PolarHBondContact OH-OD1 3.05Å; Y64-D156 PolarHBondContact OH-OD2 3.28Å; H154-D156 IonicContact CD2-OD2 2.71Å; H154-D156 IonicContact CE1-OD2 3.28Å; H154-D156 IonicContact NE2-OD2 3.75Å; H154-D156 PolarHBondContact NE2-OD2 3.5Å; D156-T158 VanDerWaalsContact C-N 3.33Å; D156-T158 PolarHBondContact OD1-N 2.92Å; D156-M159 PolarHBondContact N-O 3.36Å; D156-M159 PolarHBondContact OD1-N 3.09Å; D156-H236 PolarHBondContact O-CE1 2.98Å; D156-H236 PolarHBondContact O-ND1 3.34Å
157	E	88.9	Confident	90.3	Very high	65 Å²	65	50 Å²	50	30%	0.304	24%	0.241	S	C	.	.	S	Bend	trans	-76.1	-15.8	-178.1	-54.2	96.3	145.6	0	0	114.7	Y61 N62	Y61-E157 HydrophobicContact CD2-CB 4.24Å; Y61-E157 HydrophobicContact CG-CB 4.4Å; N62-E157 PolarHBondContact ND2-OE2 3.08Å; N62-E157 VanDerWaalsContact ND2-OE2 3.11Å; N62-E157 PolarHBondContact OD1-OE2 2.83Å
158	T	91.3	Very high	90.2	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	24%	0.241	C	C	.	.	S	Bend	trans	-101.3	-49.5	-176.3	-66.4	0	0	0	0	111.5	P36 V39 S59 N62 Y64 D156 L235 H236	P36-T158 HydrophobicContact CG-CG2 3.97Å; V39-T158 HydrophobicContact CG2-CG2 4.49Å; S59-T158 PolarHBondContact OG-OG1 3.46Å; N62-T158 PolarHBondContact OD1-OG1 3.34Å; Y64-T158 HydrophobicContact CE2-CG2 4.03Å; Y64-T158 VanDerWaalsContact OH-CB 3.27Å; Y64-T158 WeakPolarHBondContact OH-CB 3.24Å; D156-T158 VanDerWaalsContact C-N 3.33Å; D156-T158 PolarHBondContact OD1-N 2.92Å; T158-L235 HydrophobicContact CG2-CD2 4.42Å; T158-H236 PolarHBondContact O-N 3.01Å; T158-H236 VanDerWaalsContact O-N 3.08Å
159	M	94.2	Very high	89.7	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	164.5	-171.9	63.5	176.3	158.1	0	0	114.2	V57 Y64 D156 V161 C233 K234 L235 H236 F294	V57-M159 HydrophobicContact CG1-CE 4.07Å; Y64-M159 HydrophobicContact CD1-CE 3.87Å; Y64-M159 HydrophobicContact CD2-CE 3.26Å; Y64-M159 HydrophobicContact CE1-CE 3.9Å; Y64-M159 HydrophobicContact CE2-CE 3.33Å; Y64-M159 HydrophobicContact CG-CE 3.53Å; D156-M159 PolarHBondContact N-O 3.36Å; D156-M159 PolarHBondContact OD1-N 3.09Å; M159-V161 HydrophobicContact CE-CG2 4.15Å; M159-V161 HydrophobicContact CG-CG2 3.93Å; M159-V161 HydrophobicContact SD-CG2 3.89Å; M159-C233 HydrophobicContact SD-CB 3.79Å; M159-K234 WeakPolarHBondContact CA-O 3.48Å; M159-K234 WeakPolarHBondContact CB-O 3.38Å; M159-L235 HydrophobicContact CB-CD2 3.78Å; M159-L235 HydrophobicContact SD-CD2 4.25Å; M159-H236 PolarHBondContact O-NE2 3.2Å; M159-F294 HydrophobicContact CE-CZ 4.42Å; M159-F294 HydrophobicContact SD-CE1 4.01Å; M159-F294 HydrophobicContact SD-CZ 4.06Å
160	T	94.7	Very high	88.4	Confident	13 Å²	13	53.9 Å²	53.9	8%	0.08	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	124.8	166.1	-54.3	0	0	0	0	108.3	M153 H154 K155 Y162 K234 H236	M153-T160 HydrophobicContact CB-CG2 4.36Å; M153-T160 HydrophobicContact CE-CG2 3.83Å; M153-T160 HydrophobicContact SD-CG2 4.3Å; H154-T160 CarbonylContact O-C 3.53Å; H154-T160 VanDerWaalsContact O-CA 3.28Å; H154-T160 WeakPolarHBondContact O-CA 3.37Å; K155-T160 HydrophobicContact CB-CG2 4.46Å; T160-Y162 HydrophobicContact CG2-CD2 4.35Å; T160-Y162 HydrophobicContact CG2-CE1 4.38Å; T160-Y162 HydrophobicContact CG2-CE2 3.7Å; T160-K234 PolarHBondContact N-O 3.12Å; T160-K234 PolarHBondContact O-N 3.15Å; T160-H236 PolarHBondContact N-NE2 3.23Å; T160-H236 PolarHBondContact OG1-NE2 3.12Å
161	V	95.8	Very high	86.6	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	121.5	179.5	-175.8	0	0	0	0	109	F90 M153 H154 M159 F231 V232	F90-V161 HydrophobicContact CD1-CG1 4.22Å; F90-V161 HydrophobicContact CE1-CB 4.19Å; F90-V161 HydrophobicContact CE1-CG1 3.89Å; F90-V161 HydrophobicContact CE1-CG2 4.46Å; F90-V161 HydrophobicContact CE2-CG2 4.29Å; F90-V161 HydrophobicContact CZ-CB 4.12Å; F90-V161 HydrophobicContact CZ-CG1 4.13Å; F90-V161 HydrophobicContact CZ-CG2 3.9Å; M153-V161 CarbonylContact C-O 3.57Å; M153-V161 VanDerWaalsContact CA-O 3.27Å; M153-V161 WeakPolarHBondContact CA-O 3.28Å; H154-V161 HydrophobicContact CB-CB 4.32Å; H154-V161 PolarHBondContact N-O 2.98Å; H154-V161 PolarHBondContact O-N 2.72Å; M159-V161 HydrophobicContact CE-CG2 4.15Å; M159-V161 HydrophobicContact CG-CG2 3.93Å; M159-V161 HydrophobicContact SD-CG2 3.89Å; V161-F231 HydrophobicContact CG1-CB 4.11Å; V161-F231 HydrophobicContact CG1-CD1 3.92Å; V161-F231 HydrophobicContact CG1-CG 4.43Å; V161-V232 CarbonylContact C-O 3.59Å; V161-V232 WeakPolarHBondContact CA-O 3.41Å
162	Y	95.1	Very high	84.5	Confident	78 Å²	78	55.5 Å²	55.5	31%	0.306	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	138.4	176.1	-57.8	-96.2	0	0	0	110.7	E152 M153 T160 F231 V232 K234	E152-Y162 WeakPolarHBondContact O-CA 3.44Å; M153-Y162 HydrophobicContact CB-CD1 4.1Å; M153-Y162 HydrophobicContact CB-CE1 4.33Å; M153-Y162 HydrophobicContact CE-CD1 3.92Å; M153-Y162 HydrophobicContact CE-CE1 3.11Å; T160-Y162 HydrophobicContact CG2-CD2 4.35Å; T160-Y162 HydrophobicContact CG2-CE1 4.38Å; T160-Y162 HydrophobicContact CG2-CE2 3.7Å; Y162-F231 WeakPolarHBondContact O-CA 3.44Å; Y162-V232 HydrophobicContact CD2-CB 4.39Å; Y162-V232 PolarHBondContact N-O 3.31Å; Y162-V232 PolarHBondContact O-N 2.92Å; Y162-K234 HydrophobicContact CE2-CB 4.41Å
163	Q	94.6	Very high	82.4	Confident	9 Å²	9	56.3 Å²	56.3	4%	0.042	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	121.4	175.8	-59.2	-171.6	91.8	0	0	109.7	P148 E151 E152 I229 F231	P148-Q163 PolarHBondContact O-NE2 3.49Å; P148-Q163 VanDerWaalsContact O-NE2 3.14Å; E151-Q163 PolarHBondContact O-NE2 3.5Å; E152-Q163 PolarHBondContact O-N 2.94Å; Q163-I229 HydrophobicContact CB-CG2 4.03Å; Q163-I229 HydrophobicContact CG-CG2 4.47Å; Q163-F231 HydrophobicContact CG-CD1 4.19Å; Q163-F231 HydrophobicContact CG-CE1 3.93Å
164	V	94.6	Very high	79.8	Confident	3 Å²	3	63.3 Å²	63.3	2%	0.018	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	99.3	-178.7	178.2	0	0	0	0	108.7	A230 V232 N311 Q313 L314	V164-A230 HydrophobicContact CB-CB 4.24Å; V164-A230 PolarHBondContact N-O 3.28Å; V164-A230 PolarHBondContact O-N 3.11Å; V164-V232 HydrophobicContact CG2-CG2 3.91Å; V164-N311 WeakPolarHBondContact CG1-ND2 3.4Å; V164-Q313 HydrophobicContact CG1-CB 4.2Å; V164-Q313 HydrophobicContact CG2-CB 4.19Å; V164-L314 HydrophobicContact CB-CD2 4.46Å; V164-L314 HydrophobicContact CG1-CD2 4.17Å; V164-L314 HydrophobicContact CG1-CG 4.12Å; V164-L314 HydrophobicContact CG2-CD2 4.36Å
165	P	93.4	Very high	77.4	Confident	37 Å²	37	65.6 Å²	65.6	24%	0.24	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	135.1	177	29.3	-33.3	0	0	0	111.3	Y149 F167 L227 I229	Y149-P165 HydrophobicContact CD2-CB 4.07Å; Y149-P165 HydrophobicContact CD2-CG 4.41Å; Y149-P165 HydrophobicContact CE2-CB 4.33Å; P165-F167 HydrophobicContact CB-CE2 3.89Å; P165-F167 HydrophobicContact CB-CZ 4.32Å; P165-F167 HydrophobicContact CG-CE2 4.41Å; P165-L227 HydrophobicContact CB-CD1 3.71Å; P165-I229 HydrophobicContact CB-CD1 3.89Å
166	I	92.9	Very high	74.4	Confident	6 Å²	6	70.9 Å²	70.9	3%	0.031	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	121	178.2	-54.6	174.4	0	0	0	107.4	V228 A230 F304 A307 L308 L314	I166-V228 PolarHBondContact N-O 3.47Å; I166-V228 PolarHBondContact O-N 2.67Å; I166-A230 HydrophobicContact CD1-CB 3.94Å; I166-F304 HydrophobicContact CG2-CD1 4.27Å; I166-A307 HydrophobicContact CG2-CB 3.84Å; I166-L308 HydrophobicContact CD1-CD1 3.71Å; I166-L314 HydrophobicContact CD1-CD1 4.17Å
167	F	91.9	Very high	71.5	Confident	91 Å²	91	77.5 Å²	77.5	40%	0.399	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	124.4	-179	-64.3	-89.2	0	0	0	110.4	P165 S226 L227 A307	P165-F167 HydrophobicContact CB-CE2 3.89Å; P165-F167 HydrophobicContact CB-CZ 4.32Å; P165-F167 HydrophobicContact CG-CE2 4.41Å; F167-S226 CarbonylContact C-O 3.57Å; F167-S226 WeakPolarHBondContact CA-O 3.29Å; F167-L227 HydrophobicContact CD1-CB 4.25Å; F167-L227 HydrophobicContact CD1-CD1 4.02Å; F167-L227 HydrophobicContact CD2-CD1 4.44Å; F167-L227 HydrophobicContact CE1-CB 4.14Å; F167-L227 HydrophobicContact CE1-CD1 3.67Å; F167-L227 HydrophobicContact CE1-CD2 4.21Å; F167-L227 HydrophobicContact CE1-CG 4.22Å; F167-L227 HydrophobicContact CE2-CD1 4.11Å; F167-L227 HydrophobicContact CG-CD1 4.4Å; F167-L227 HydrophobicContact CZ-CD1 3.71Å; F167-L227 HydrophobicContact CZ-CD2 4.46Å; F167-A307 WeakPolarHBondContact O-CB 3.43Å
168	A	89.4	Confident	68.7	Low	16 Å²	16	79.5 Å²	79.5	13%	0.132	43%	0.427	C	S	.	.			trans	-59.6	143	172.1	0	0	0	0	0	110.7	S170 S226 D303 F304	A168-S170 PolarHBondContact O-N 3.12Å; A168-S170 VanDerWaalsContact O-N 3.09Å; A168-S226 PolarHBondContact N-O 2.95Å; A168-D303 WeakPolarHBondContact CA-O 3.34Å; A168-D303 HydrophobicContact CB-CB 3.94Å; A168-F304 HydrophobicContact CB-CD1 3.9Å; A168-F304 HydrophobicContact CB-CD2 3.92Å; A168-F304 HydrophobicContact CB-CE1 3.76Å; A168-F304 HydrophobicContact CB-CE2 3.76Å; A168-F304 HydrophobicContact CB-CG 3.99Å; A168-F304 HydrophobicContact CB-CZ 3.69Å
169	K	77.4	Confident	65.9	Low	141 Å²	141	85.9 Å²	85.9	61%	0.613	47%	0.468	S	S	*	.			trans	-74.1	102.8	170.8	-76.8	-170.3	179.5	178.4	0	108.2	G171 D303 P306	K169-G171 PolarHBondContact O-N 3.13Å; K169-D303 PolarHBondContact N-O 2.89Å; K169-D303 VanDerWaalsContact N-O 3.1Å; K169-P306 HydrophobicContact CD-CB 3.73Å; K169-P306 HydrophobicContact CD-CG 4.15Å; K169-P306 HydrophobicContact CG-CB 4.31Å
170	S	54.5	Low	62.7	Low	69 Å²	69	95.1 Å²	95.1	48%	0.483	51%	0.511	S	S	.	.			trans	-64.3	131	170.9	111.9	0	0	0	0	108.7	A168 I172	A168-S170 PolarHBondContact O-N 3.12Å; A168-S170 VanDerWaalsContact O-N 3.09Å; S170-I172 PolarHBondContact O-N 2.98Å; S170-I172 WeakPolarHBondContact OG-CA 3.39Å; S170-I172 PolarHBondContact OG-N 2.75Å; S170-I172 PolarHBondContact OG-O 3.45Å
171	G	46	Very low	59.6	Low	91 Å²	91	99.8 Å²	99.8	94%	0.938	55%	0.551	S	S	*	*	S	Bend	trans	-62.4	7.6	167.3	0	0	0	0	0	114.2	K169	K169-G171 PolarHBondContact O-N 3.13Å
172	I	41.3	Very low	56.3	Low	140 Å²	140	103.3 Å²	103.3	72%	0.718	59%	0.588	S	S	*	*			trans	-114	64.4	178.6	-48.5	178.1	0	0	0	108.5	S170 R174	S170-I172 PolarHBondContact O-N 2.98Å; S170-I172 WeakPolarHBondContact OG-CA 3.39Å; S170-I172 PolarHBondContact OG-N 2.75Å; S170-I172 PolarHBondContact OG-O 3.45Å; I172-R174 VanDerWaalsContact C-N 3.25Å; I172-R174 PolarHBondContact O-N 2.87Å
173	D	34.5	Very low	53.1	Low	157 Å²	157	111.3 Å²	111.3	84%	0.84	62%	0.617	S	S	*	*			trans	-76.1	81.6	163.3	-119	-19.8	0	0	0	108.6
174	R	33.7	Very low	49.7	Very low	236 Å²	236	116.5 Å²	116.5	89%	0.891	65%	0.654	S	S	*	*			trans	-115.9	81.3	155.3	-81.4	-165.7	179.3	-167.1	1.9	108.9	I172	I172-R174 VanDerWaalsContact C-N 3.25Å; I172-R174 PolarHBondContact O-N 2.87Å
175	G	37.5	Very low	46.4	Very low	65 Å²	65	121.7 Å²	121.7	67%	0.67	69%	0.691	S	S	*	*			trans	52.3	84.7	148.4	0	0	0	0	0	116.6
176	R	29.5	Very low	43.3	Very low	248 Å²	248	125.7 Å²	125.7	94%	0.936	72%	0.717	S	S	*	*			trans	-130.9	93.9	148.5	-86.3	-173.6	173.1	173.2	-1.9	109.7
177	N	30.6	Very low	39.9	Very low	162 Å²	162	129.5 Å²	129.5	87%	0.866	74%	0.744	S	S	*	*			trans	-56.9	140.6	162.1	-74.9	-19.7	0	0	0	109.7
178	S	29.4	Very low	36.8	Very low	108 Å²	108	132.6 Å²	132.6	76%	0.755	76%	0.759	S	S	*	*			trans	-46.6	135.8	175	-29.5	0	0	0	0	111.9	Q180	S178-Q180 PolarHBondContact O-N 3.45Å; S178-Q180 VanDerWaalsContact O-N 3.12Å
179	P	32.5	Very low	33.6	Very low	134 Å²	134	142.4 Å²	142.4	87%	0.87	79%	0.793	S	S	*	*			trans	-78	103.5	172.9	29	-28	0	0	0	109.7
180	Q	27.2	Very low	31.1	Very low	193 Å²	193	141.2 Å²	141.2	90%	0.902	80%	0.802	S	S	*	*			trans	-71.8	140	161.8	-110.4	179.2	-0.2	0	0	110.1	S178 G182	S178-Q180 PolarHBondContact O-N 3.45Å; S178-Q180 VanDerWaalsContact O-N 3.12Å; Q180-G182 PolarHBondContact O-N 2.85Å
181	A	30.6	Very low	29.7	Very low	111 Å²	111	144 Å²	144	92%	0.917	82%	0.819	S	S	*	*			trans	-63.1	128.1	174.9	0	0	0	0	0	111.6
182	G	25.3	Very low	28.7	Very low	75 Å²	75	148.9 Å²	148.9	77%	0.773	82%	0.815	S	S	*	*			trans	-156.5	118.2	176.2	0	0	0	0	0	111.8	Q180	Q180-G182 PolarHBondContact O-N 2.85Å
183	R	27.5	Very low	28	Very low	245 Å²	245	154 Å²	154	93%	0.925	83%	0.825	S	S	*	*			trans	-64.9	141.8	178.3	-65.2	171	168.1	-166.8	-4.3	112
184	S	24.7	Very low	27.5	Very low	118 Å²	118	150 Å²	150	83%	0.825	82%	0.821	S	S	*	*				172.9	130.5	128.9	36.9	0	0	0	0	111.6
185	S	24.9	Very low	26.9	Very low	112 Å²	112	142.3 Å²	142.3	78%	0.783	82%	0.815	S	S	*	*			trans	-72.3	159.8	162.8	-48.9	0	0	0	0	110
186	P	27.2	Very low	26.3	Very low	121 Å²	121	147.9 Å²	147.9	79%	0.786	83%	0.828	S	S	*	*				-147.9	152.9	92.4	32.9	-13	0	0	0	117
187	S	23.2	Very low	26.1	Very low	87 Å²	87	144.3 Å²	144.3	61%	0.608	82%	0.823	S	S	*	*			trans	-3.1	133.4	153.3	57.8	0	0	0	0	120.6
188	H	25.1	Very low	25.8	Very low	155 Å²	155	144.5 Å²	144.5	72%	0.718	82%	0.818	S	S	*	*				174.2	134.3	92.3	-103.1	-58.9	0	0	0	114.8
189	R	23.1	Very low	25.5	Very low	222 Å²	222	145.3 Å²	145.3	84%	0.838	82%	0.818	S	S	*	*			trans	62.3	104.1	140.4	-75	172.2	-177.2	-145.9	2.4	121
190	S	25.4	Very low	25	Very low	116 Å²	116	142.4 Å²	142.4	81%	0.811	81%	0.813	S	S	*	*			trans	-79.3	155.7	148.5	-32.9	0	0	0	0	111.6
191	P	25.4	Very low	24.8	Very low	129 Å²	129	142.1 Å²	142.1	84%	0.838	81%	0.811	S	S	*	*			trans	-105.8	146.4	146.7	13.7	5.4	0	0	0	111.5
192	K	23.6	Very low	24.5	Very low	193 Å²	193	145.3 Å²	145.3	84%	0.839	81%	0.807	S	S	*	*			trans	-95	167.1	-176.9	-68.6	178.7	169.5	178.4	0	112.6
193	R	26.8	Very low	24.4	Very low	247 Å²	247	150.3 Å²	150.3	93%	0.932	81%	0.811	S	S	*	*			trans	92.2	141.7	153.1	-64.4	-176.8	172.9	-168.8	-2.1	115.5
194	G	23.5	Very low	24.1	Very low	74 Å²	74	143.1 Å²	143.1	76%	0.763	80%	0.798	S	S	*	*			cis	-161.1	166.8	10.9	0	0	0	0	0	111.4
195	G	22.7	Very low	24.6	Very low	74 Å²	74	144.6 Å²	144.6	76%	0.763	80%	0.802	S	S	*	*			trans	-86.5	164.2	-178.1	0	0	0	0	0	114
196	L	24.4	Very low	24.7	Very low	181 Å²	181	144.7 Å²	144.7	95%	0.948	80%	0.802	S	S	*	*			trans	-153.1	134.4	152.7	-135	80.4	0	0	0	109
197	Q	24.2	Very low	24.6	Very low	174 Å²	174	141.6 Å²	141.6	81%	0.813	79%	0.792	S	S	*	*			trans	-92	140.4	168.2	-72.2	172.1	-13.2	0	0	108.8
198	H	25.2	Very low	25	Very low	166 Å²	166	145.4 Å²	145.4	77%	0.769	81%	0.805	S	S	*	*				175.8	137.4	123.6	-109.3	-76.6	0	0	0	114
199	T	22.3	Very low	24.9	Very low	124 Å²	124	146.4 Å²	146.4	76%	0.761	82%	0.816	S	S	*	*			trans	54.2	123	143.2	53.3	0	0	0	0	123.1
200	G	22.2	Very low	25	Very low	74 Å²	74	140.4 Å²	140.4	76%	0.763	81%	0.807	S	S	*	*				85.1	116.4	108.3	0	0	0	0	0	119.9
201	E	23.1	Very low	25.2	Very low	186 Å²	186	142 Å²	142	87%	0.869	81%	0.805	S	S	*	*			trans	82.6	132.7	150	-66.5	-179.6	172.8	0	0	121.7
202	E	24.4	Very low	25.4	Very low	178 Å²	178	145.4 Å²	145.4	83%	0.832	81%	0.807	S	S	*	*			trans	41.2	127.3	151.7	-59.9	-170.1	161.9	0	0	121.3
203	E	23.2	Very low	25.5	Very low	180 Å²	180	141 Å²	141	84%	0.841	80%	0.799	S	S	*	*			trans	177.1	121.6	134.4	-99.9	-178.6	-177.3	0	0	109
204	S	22.6	Very low	25.6	Very low	94 Å²	94	134.9 Å²	134.9	66%	0.657	79%	0.789	S	S	*	*				84.2	143.8	81.1	94.9	0	0	0	0	113.8	S206	S204-S206 PolarHBondContact O-N 2.77Å
205	V	33.5	Very low	26	Very low	150 Å²	150	137.3 Å²	137.3	91%	0.909	80%	0.795	S	S	*	*	S	Bend	trans	-86.7	98.1	-160.1	177.2	0	0	0	0	109.8
206	S	27.1	Very low	26.2	Very low	113 Å²	113	136 Å²	136	79%	0.79	78%	0.781	S	S	*	*			trans	-156.1	45.9	168.9	68.1	0	0	0	0	114.3	S204	S204-S206 PolarHBondContact O-N 2.77Å
207	G	25.7	Very low	26.4	Very low	56 Å²	56	137.1 Å²	137.1	58%	0.577	78%	0.782	S	S	*	*			trans	-124.4	51	-174.5	0	0	0	0	0	115.4
208	L	31.1	Very low	26.9	Very low	168 Å²	168	138.3 Å²	138.3	88%	0.88	78%	0.779	S	S	*	*	S	Bend	trans	-96.8	-2.8	171.3	-111.7	90.2	0	0	0	114.8
209	N	24.5	Very low	27.3	Very low	175 Å²	175	135.5 Å²	135.5	94%	0.936	78%	0.778	S	S	*	*	S	Bend	trans	-104.6	14.5	177.7	-89.4	5.2	0	0	0	114.6
210	C	24.9	Very low	28.2	Very low	96 Å²	96	133.8 Å²	133.8	65%	0.649	78%	0.776	S	S	*	*			trans	-134.2	51.8	-178.5	-152.3	0	0	0	0	113.4
211	L	30	Very low	29.6	Very low	150 Å²	150	135 Å²	135	79%	0.785	77%	0.768	S	S	*	*	S	Bend	trans	-106.5	-0.4	166.4	-104	121.2	0	0	0	113.8
212	F	28.9	Very low	31.3	Very low	201 Å²	201	129.6 Å²	129.6	88%	0.882	76%	0.756	S	S	*	*	S	Bend	trans	-116.4	7.6	-177.4	-76.6	-74.9	0	0	0	115.7
213	C	25.3	Very low	33.5	Very low	99 Å²	99	125.6 Å²	125.6	67%	0.669	73%	0.733	S	S	*	*			trans	-136.7	82	178.5	-62.6	0	0	0	0	111.7	S215	C213-S215 PolarHBondContact O-N 2.8Å
214	V	29.2	Very low	36	Very low	119 Å²	119	120 Å²	120	72%	0.721	71%	0.709	S	S	*	*			trans	-80	95	152.5	178.7	0	0	0	0	106.1	G216	V214-G216 VanDerWaalsContact C-N 3.29Å; V214-G216 PolarHBondContact O-N 2.97Å
215	S	32	Very low	38.7	Very low	126 Å²	126	119.5 Å²	119.5	88%	0.881	71%	0.705	S	S	*	*			trans	-69.4	88.5	167.4	51.7	0	0	0	0	109.1	C213	C213-S215 PolarHBondContact O-N 2.8Å
216	G	26.7	Very low	41.1	Very low	46 Å²	46	114 Å²	114	47%	0.474	67%	0.673	S	S	.	*	S	Bend	trans	-154.3	125.8	165.2	0	0	0	0	0	105.9	V214 R218	V214-G216 VanDerWaalsContact C-N 3.29Å; V214-G216 PolarHBondContact O-N 2.97Å; G216-R218 PolarHBondContact O-N 2.68Å
217	E	29.4	Very low	44.2	Very low	205 Å²	205	108.7 Å²	108.7	96%	0.958	64%	0.636	S	S	*	*			trans	-35.6	94	-173.4	-66.6	170.5	149.4	0	0	113.2	S219	E217-S219 PolarHBondContact O-N 2.71Å; E217-S219 VanDerWaalsContact O-N 3.11Å
218	R	34	Very low	47.4	Very low	199 Å²	199	106 Å²	106	75%	0.751	61%	0.609	S	S	*	*			trans	-77.1	95.6	169.7	-77.1	-174.3	179.7	-164.4	-0.9	107.2	G216 A220	G216-R218 PolarHBondContact O-N 2.68Å; R218-A220 PolarHBondContact O-N 3.03Å
219	S	34.4	Very low	50.4	Low	107 Å²	107	98 Å²	98	75%	0.748	57%	0.567	S	S	*	*			trans	-59.7	98.4	145.9	177.5	0	0	0	0	105.9	E217 V221	E217-S219 PolarHBondContact O-N 2.71Å; E217-S219 VanDerWaalsContact O-N 3.11Å; S219-V221 VanDerWaalsContact C-N 3.29Å; S219-V221 PolarHBondContact O-N 2.96Å
220	A	40.9	Very low	53.8	Low	88 Å²	88	89.8 Å²	89.8	73%	0.727	52%	0.523	S	S	*	.			trans	-65.8	88.3	-178.5	0	0	0	0	0	109.4	R218 A222	R218-A220 PolarHBondContact O-N 3.03Å; A220-A222 VanDerWaalsContact C-N 3.3Å; A220-A222 PolarHBondContact O-N 2.83Å
221	V	51.8	Low	57.3	Low	98 Å²	98	85.2 Å²	85.2	59%	0.594	49%	0.492	S	S	*	.			trans	-75	92.5	167.8	-177.1	0	0	0	0	105.9	Q124 S219	Q124-V221 PolarHBondContact NE2-O 3.15Å; S219-V221 VanDerWaalsContact C-N 3.29Å; S219-V221 PolarHBondContact O-N 2.96Å
222	A	57.4	Low	60.5	Low	74 Å²	74	78.1 Å²	78.1	61%	0.612	46%	0.455	S	S	*	.			trans	-72.6	150	-176.2	0	0	0	0	0	111.5	Q124 A220	Q124-A222 PolarHBondContact NE2-O 3.33Å; A220-A222 VanDerWaalsContact C-N 3.3Å; A220-A222 PolarHBondContact O-N 2.83Å
223	R	71.8	Confident	63.7	Low	94 Å²	94	68.6 Å²	68.6	36%	0.355	41%	0.413	S	S	.	.			trans	-48.2	143.5	167.7	68	-172.9	-173.7	-150.4	1.3	110.1	E585	R223-E585 IonicContact CZ-OE1 3.7Å; R223-E585 VanDerWaalsContact NH1-CD 3.3Å; R223-E585 IonicContact NH1-OE1 3.09Å; R223-E585 PolarHBondContact NH1-OE1 3.44Å; R223-E585 IonicContact NH2-OE1 2.64Å; R223-E585 PolarHBondContact NH2-OE1 2.99Å
224	D	75.3	Confident	67	Low	63 Å²	63	66.5 Å²	66.5	34%	0.337	39%	0.393	S	S	.	.			trans	-120.8	86	175.4	-167.4	-8.8	0	0	0	109.8	S226 L227	D224-S226 PolarHBondContact O-N 3.06Å; D224-S226 WeakPolarHBondContact OD1-CA 3.26Å; D224-S226 WeakPolarHBondContact OD1-CB 3.34Å; D224-S226 PolarHBondContact OD1-N 3.3Å; D224-S226 PolarHBondContact OD1-OG 3.15Å; D224-L227 HydrophobicContact CB-CB 4.25Å; D224-L227 PolarHBondContact O-N 3.35Å; D224-L227 PolarHBondContact OD1-N 3.42Å
225	S	78	Confident	70.1	Confident	82 Å²	82	61 Å²	61	57%	0.573	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	-10.1	175.8	57	0	0	0	0	112.8
226	S	85.1	Confident	73	Confident	34 Å²	34	55.6 Å²	55.6	24%	0.238	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-3.5	178.7	76.4	0	0	0	0	113	F167 A168 D224 F304	F167-S226 CarbonylContact C-O 3.57Å; F167-S226 WeakPolarHBondContact CA-O 3.29Å; A168-S226 PolarHBondContact N-O 2.95Å; D224-S226 PolarHBondContact O-N 3.06Å; D224-S226 WeakPolarHBondContact OD1-CA 3.26Å; D224-S226 WeakPolarHBondContact OD1-CB 3.34Å; D224-S226 PolarHBondContact OD1-N 3.3Å; D224-S226 PolarHBondContact OD1-OG 3.15Å; S226-F304 WeakPolarHBondContact O-CE1 3.48Å
227	L	91.1	Very high	75.9	Confident	3 Å²	3	56.9 Å²	56.9	2%	0.016	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	128.5	-175.8	177.5	58.9	0	0	0	112.6	P123 Y149 P165 F167 D224 I229	P123-L227 HydrophobicContact CG-CD2 4.19Å; Y149-L227 HydrophobicContact CD1-CD2 4.46Å; Y149-L227 HydrophobicContact CE1-CD2 4.29Å; Y149-L227 HydrophobicContact CE2-CD2 4.34Å; P165-L227 HydrophobicContact CB-CD1 3.71Å; F167-L227 HydrophobicContact CD1-CB 4.25Å; F167-L227 HydrophobicContact CD1-CD1 4.02Å; F167-L227 HydrophobicContact CD2-CD1 4.44Å; F167-L227 HydrophobicContact CE1-CB 4.14Å; F167-L227 HydrophobicContact CE1-CD1 3.67Å; F167-L227 HydrophobicContact CE1-CD2 4.21Å; F167-L227 HydrophobicContact CE1-CG 4.22Å; F167-L227 HydrophobicContact CE2-CD1 4.11Å; F167-L227 HydrophobicContact CG-CD1 4.4Å; F167-L227 HydrophobicContact CZ-CD1 3.71Å; F167-L227 HydrophobicContact CZ-CD2 4.46Å; D224-L227 HydrophobicContact CB-CB 4.25Å; D224-L227 PolarHBondContact O-N 3.35Å; D224-L227 PolarHBondContact OD1-N 3.42Å; L227-I229 HydrophobicContact CD1-CD1 3.7Å; L227-I229 HydrophobicContact CD2-CD1 4.13Å; L227-I229 HydrophobicContact CG-CD1 3.94Å
228	V	93.5	Very high	78.6	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	140.6	165.5	172.8	0	0	0	0	109.4	I166 E298 P300 F304	I166-V228 PolarHBondContact N-O 3.47Å; I166-V228 PolarHBondContact O-N 2.67Å; V228-E298 HydrophobicContact CG1-CB 3.9Å; V228-E298 WeakPolarHBondContact CG1-O 3.43Å; V228-P300 HydrophobicContact CG2-CG 3.97Å; V228-F304 HydrophobicContact CB-CD1 4.38Å; V228-F304 HydrophobicContact CB-CE1 4.05Å; V228-F304 HydrophobicContact CG2-CD1 4.05Å; V228-F304 HydrophobicContact CG2-CE1 3.49Å; V228-F304 VanDerWaalsContact CG2-CE1 3.49Å; V228-F304 HydrophobicContact CG2-CZ 3.85Å
229	I	94.7	Very high	80.9	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	117	174.7	-50.5	-55.4	0	0	0	108.7	T92 Y149 Q163 P165 L227 F231	T92-I229 WeakPolarHBondContact CA-O 3.45Å; T92-I229 WeakPolarHBondContact CB-O 3.34Å; T92-I229 WeakPolarHBondContact CG2-O 3.49Å; T92-I229 PolarHBondContact O-N 3.29Å; Y149-I229 HydrophobicContact CD2-CD1 4.08Å; Y149-I229 HydrophobicContact CG-CD1 4.03Å; Q163-I229 HydrophobicContact CB-CG2 4.03Å; Q163-I229 HydrophobicContact CG-CG2 4.47Å; P165-I229 HydrophobicContact CB-CD1 3.89Å; L227-I229 HydrophobicContact CD1-CD1 3.7Å; L227-I229 HydrophobicContact CD2-CD1 4.13Å; L227-I229 HydrophobicContact CG-CD1 3.94Å; I229-F231 HydrophobicContact CB-CZ 4.23Å; I229-F231 HydrophobicContact CG2-CD1 4.4Å; I229-F231 HydrophobicContact CG2-CE1 3.82Å; I229-F231 HydrophobicContact CG2-CE2 4.24Å; I229-F231 HydrophobicContact CG2-CZ 3.72Å
230	A	96.2	Very high	83	Confident	1 Å²	1	36.1 Å²	36.1	1%	0.008	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	152	165.1	0	0	0	0	0	110	V164 I166 V296 L297	V164-A230 HydrophobicContact CB-CB 4.24Å; V164-A230 PolarHBondContact N-O 3.28Å; V164-A230 PolarHBondContact O-N 3.11Å; I166-A230 HydrophobicContact CD1-CB 3.94Å; A230-V296 WeakPolarHBondContact CA-O 3.12Å; A230-L297 HydrophobicContact CB-CB 3.84Å
231	F	97.2	Very high	85	Confident	1 Å²	1	36.1 Å²	36.1	0%	0.004	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	124.6	-179.9	-60.4	-81	0	0	0	110.6	F66 F90 L91 T92 V161 Y162 Q163 I229 L295 V296	F66-F231 HydrophobicContact CD1-CB 4.42Å; F66-F231 AromaticContact CD1-CD2 3.94Å; F66-F231 HydrophobicContact CD1-CD2 3.94Å; F66-F231 HydrophobicContact CD1-CG 4.27Å; F66-F231 HydrophobicContact CE1-CB 3.78Å; F66-F231 HydrophobicContact CE1-CD2 4.05Å; F66-F231 AromaticContact CE1-CG 3.89Å; F66-F231 HydrophobicContact CE1-CG 3.89Å; F90-F231 HydrophobicContact CB-CD1 4.25Å; F90-F231 HydrophobicContact CB-CD2 4.24Å; F90-F231 HydrophobicContact CB-CE1 3.9Å; F90-F231 HydrophobicContact CB-CE2 3.89Å; F90-F231 HydrophobicContact CB-CG 4.41Å; F90-F231 HydrophobicContact CB-CZ 3.72Å; F90-F231 AromaticContact CD1-CD1 3.98Å; F90-F231 HydrophobicContact CD1-CD1 3.98Å; F90-F231 AromaticContact CD1-CE1 3.73Å; F90-F231 HydrophobicContact CD1-CE1 3.73Å; F90-F231 HydrophobicContact CD1-CZ 4.37Å; F90-F231 HydrophobicContact CG-CD1 4.38Å; F90-F231 HydrophobicContact CG-CE1 4.22Å; L91-F231 WeakPolarHBondContact O-CZ 3.31Å; T92-F231 HydrophobicContact CG2-CD2 4.01Å; T92-F231 HydrophobicContact CG2-CE2 3.77Å; V161-F231 HydrophobicContact CG1-CB 4.11Å; V161-F231 HydrophobicContact CG1-CD1 3.92Å; V161-F231 HydrophobicContact CG1-CG 4.43Å; Y162-F231 WeakPolarHBondContact O-CA 3.44Å; Q163-F231 HydrophobicContact CG-CD1 4.19Å; Q163-F231 HydrophobicContact CG-CE1 3.93Å; I229-F231 HydrophobicContact CB-CZ 4.23Å; I229-F231 HydrophobicContact CG2-CD1 4.4Å; I229-F231 HydrophobicContact CG2-CE1 3.82Å; I229-F231 HydrophobicContact CG2-CE2 4.24Å; I229-F231 HydrophobicContact CG2-CZ 3.72Å; F231-L295 WeakPolarHBondContact O-CA 3.34Å; F231-V296 HydrophobicContact CB-CB 4.48Å; F231-V296 PolarHBondContact N-O 3.47Å; F231-V296 PolarHBondContact O-N 3.1Å
232	V	96.8	Very high	86.6	Confident	1 Å²	1	32.7 Å²	32.7	1%	0.006	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	118.3	170.7	-177	0	0	0	0	108.3	V161 Y162 V164 V293 L295 L314 F317	V161-V232 CarbonylContact C-O 3.59Å; V161-V232 WeakPolarHBondContact CA-O 3.41Å; Y162-V232 HydrophobicContact CD2-CB 4.39Å; Y162-V232 PolarHBondContact N-O 3.31Å; Y162-V232 PolarHBondContact O-N 2.92Å; V164-V232 HydrophobicContact CG2-CG2 3.91Å; V232-V293 HydrophobicContact CG1-CG1 3.69Å; V232-L295 HydrophobicContact CG1-CD1 4.14Å; V232-L295 HydrophobicContact CG2-CG 4.24Å; V232-L314 HydrophobicContact CG2-CD2 4.07Å; V232-F317 HydrophobicContact CB-CE2 4.42Å; V232-F317 HydrophobicContact CG1-CD1 4.49Å; V232-F317 HydrophobicContact CG1-CD2 4.03Å; V232-F317 HydrophobicContact CG1-CE1 4.12Å; V232-F317 HydrophobicContact CG1-CE2 3.63Å; V232-F317 HydrophobicContact CG1-CG 4.45Å; V232-F317 HydrophobicContact CG1-CZ 3.67Å; V232-F317 HydrophobicContact CG2-CD2 4.42Å; V232-F317 HydrophobicContact CG2-CE2 4.17Å
233	C	96.6	Very high	87.9	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	109.7	-174.1	-59.8	0	0	0	0	110.2	M159 V293 F294	M159-C233 HydrophobicContact SD-CB 3.79Å; C233-V293 WeakPolarHBondContact O-CA 3.41Å; C233-F294 HydrophobicContact CB-CD1 3.64Å; C233-F294 HydrophobicContact CB-CD2 4.05Å; C233-F294 HydrophobicContact CB-CE1 3.23Å; C233-F294 HydrophobicContact CB-CE2 3.66Å; C233-F294 HydrophobicContact CB-CG 4.04Å; C233-F294 HydrophobicContact CB-CZ 3.23Å; C233-F294 WeakPolarHBondContact CB-O 3.48Å; C233-F294 PolarHBondContact N-O 3.07Å; C233-F294 PolarHBondContact O-N 3.3Å
234	K	95	Very high	88.6	Confident	56 Å²	56	30.5 Å²	30.5	24%	0.243	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	111.5	179.8	-175.6	165.1	-170.8	170.4	0	110	M159 T160 Y162 V293 E323	M159-K234 WeakPolarHBondContact CA-O 3.48Å; M159-K234 WeakPolarHBondContact CB-O 3.38Å; T160-K234 PolarHBondContact N-O 3.12Å; T160-K234 PolarHBondContact O-N 3.15Å; Y162-K234 HydrophobicContact CE2-CB 4.41Å; K234-V293 HydrophobicContact CB-CG2 4.13Å; K234-V293 HydrophobicContact CD-CG2 4.26Å; K234-V293 HydrophobicContact CG-CG2 3.91Å; K234-E323 IonicContact NZ-OE2 2.76Å; K234-E323 PolarHBondContact NZ-OE2 3.41Å
235	L	94.3	Very high	89.1	Confident	2 Å²	2	30.6 Å²	30.6	1%	0.01	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64	152.2	175.9	-63.2	-164	0	0	0	110.8	V39 T158 M159 G291 P292 F294 L416	V39-L235 HydrophobicContact CB-CD1 3.86Å; V39-L235 HydrophobicContact CG1-CD1 3.99Å; V39-L235 HydrophobicContact CG1-CD2 4.05Å; V39-L235 HydrophobicContact CG2-CD1 3.79Å; V39-L235 HydrophobicContact CG2-CD2 4.43Å; T158-L235 HydrophobicContact CG2-CD2 4.42Å; M159-L235 HydrophobicContact CB-CD2 3.78Å; M159-L235 HydrophobicContact SD-CD2 4.25Å; L235-G291 VanDerWaalsContact O-CA 3.25Å; L235-G291 WeakPolarHBondContact O-CA 3.19Å; L235-P292 HydrophobicContact CB-CG 4.41Å; L235-P292 HydrophobicContact CD1-CG 3.71Å; L235-P292 HydrophobicContact CG-CG 4.16Å; L235-P292 PolarHBondContact N-O 3.14Å; L235-F294 HydrophobicContact CD2-CE1 4.38Å; L235-L416 HydrophobicContact CD1-CB 4.05Å; L235-L416 HydrophobicContact CD1-CD1 4.18Å
236	H	92.3	Very high	89.5	Confident	13 Å²	13	31.8 Å²	31.8	6%	0.06	18%	0.177	C	C	.	.	P	Polyproline II helix	trans	-77.8	141.3	176	-69.7	-167.3	0	0	0	110.6	V33 D156 T158 M159 T160 R417	V33-H236 HydrophobicContact CG1-CB 4.49Å; V33-H236 VanDerWaalsContact CG1-ND1 3.25Å; V33-H236 WeakPolarHBondContact CG1-ND1 3.28Å; D156-H236 PolarHBondContact O-CE1 2.98Å; D156-H236 PolarHBondContact O-ND1 3.34Å; T158-H236 PolarHBondContact O-N 3.01Å; T158-H236 VanDerWaalsContact O-N 3.08Å; M159-H236 PolarHBondContact O-NE2 3.2Å; T160-H236 PolarHBondContact N-NE2 3.23Å; T160-H236 PolarHBondContact OG1-NE2 3.12Å; H236-R417 PolarHBondContact O-NH1 3.02Å; H236-R417 PolarHBondContact O-NH2 3.2Å
237	P	88.9	Confident	89.6	Confident	74 Å²	74	30.1 Å²	30.1	48%	0.481	17%	0.165	S	C	.	.	P	Polyproline II helix	trans	-62.2	142.7	178.9	26.6	-34.1	0	0	0	110.2	G35 I288 D289	G35-P237 PolarHBondContact N-O 2.96Å; P237-I288 HydrophobicContact CB-CG2 4.17Å; P237-D289 WeakPolarHBondContact CA-O 3.12Å
238	K	86.2	Confident	89.3	Confident	30 Å²	30	36 Å²	36	13%	0.13	19%	0.191	C	C	.	.	B	Isolated β-bridge	trans	-105.8	122.5	178.5	-179.1	-178	169.5	179.3	0	109	H34 S37 D289	H34-K238 WeakPolarHBondContact CE1-CG 3.39Å; H34-K238 WeakPolarHBondContact NE2-CE 3.5Å; H34-K238 WeakPolarHBondContact NE2-CG 3.28Å; S37-K238 PolarHBondContact OG-NZ 3.46Å; K238-D289 HydrophobicContact CB-CB 4.12Å; K238-D289 PolarHBondContact N-O 3.38Å; K238-D289 PolarHBondContact O-N 3.04Å
239	K	81.4	Confident	89	Confident	38 Å²	38	42.4 Å²	42.4	17%	0.165	23%	0.225	C	C	.	.	P	Polyproline II helix	trans	-60.1	146.3	176.8	-63	-175.1	178	-177.1	0	110.8	D32 H34 K267 N268	D32-K239 WeakPolarHBondContact OD1-CE 3.4Å; D32-K239 IonicContact OD1-NZ 2.94Å; D32-K239 PolarHBondContact OD1-NZ 2.92Å; D32-K239 IonicContact OD2-NZ 3.42Å; D32-K239 PolarHBondContact OD2-NZ 3.5Å; H34-K239 PolarHBondContact CE1-O 3.46Å; H34-K239 PolarHBondContact ND1-N 2.63Å; K239-K267 HydrophobicContact CD-CB 4.44Å; K239-N268 PolarHBondContact NZ-OD1 3.28Å
240	G	78.8	Confident	88.6	Confident	6 Å²	6	44.9 Å²	44.9	6%	0.062	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-54	148.8	175.2	0	0	0	0	0	114	K267 T286	G240-K267 WeakPolarHBondContact O-CE 3.36Å; G240-T286 VanDerWaalsContact CA-O 3.23Å; G240-T286 WeakPolarHBondContact CA-O 3.28Å; G240-T286 WeakPolarHBondContact CA-OG1 3.25Å
241	N	82.6	Confident	87.9	Confident	89 Å²	89	47 Å²	47	48%	0.476	26%	0.259	S	S	.	.	P	Polyproline II helix	trans	-74.1	137.2	170.5	-71.5	-32.5	0	0	0	109.6	C285 T286	N241-C285 CarbonylContact O-C 3.56Å; N241-C285 VanDerWaalsContact O-CA 3.27Å; N241-C285 WeakPolarHBondContact O-CA 3.46Å; N241-T286 HydrophobicContact CB-CG2 4.24Å; N241-T286 PolarHBondContact N-OG1 3.49Å; N241-T286 PolarHBondContact O-N 3.35Å
242	F	84.7	Confident	87.4	Confident	26 Å²	26	47.3 Å²	47.3	11%	0.114	26%	0.261	C	S	.	.	B	Isolated β-bridge	trans	-79.2	124.6	175.4	-177.2	-100.8	0	0	0	109.8	V244 A247 L252 I263 L266 V284	F242-V244 HydrophobicContact CD1-CG2 4.02Å; F242-V244 HydrophobicContact CE1-CG2 4.35Å; F242-V244 PolarHBondContact O-N 3.35Å; F242-A247 HydrophobicContact CE1-CB 3.48Å; F242-A247 VanDerWaalsContact CE1-CB 3.48Å; F242-A247 HydrophobicContact CE2-CB 4.08Å; F242-A247 HydrophobicContact CZ-CB 3.2Å; F242-L252 HydrophobicContact CZ-CD1 4.14Å; F242-I263 HydrophobicContact CB-CG2 4.27Å; F242-I263 HydrophobicContact CD1-CD1 3.97Å; F242-I263 HydrophobicContact CD1-CG1 3.9Å; F242-I263 HydrophobicContact CD2-CG1 4Å; F242-I263 HydrophobicContact CD2-CG2 4.37Å; F242-I263 HydrophobicContact CE1-CD1 3.91Å; F242-I263 HydrophobicContact CE1-CG1 3.75Å; F242-I263 HydrophobicContact CE2-CG1 3.85Å; F242-I263 HydrophobicContact CG-CD1 4.46Å; F242-I263 HydrophobicContact CG-CG1 4Å; F242-I263 HydrophobicContact CG-CG2 4.24Å; F242-I263 HydrophobicContact CZ-CD1 4.34Å; F242-I263 HydrophobicContact CZ-CG1 3.7Å; F242-L266 HydrophobicContact CE2-CD1 3.94Å; F242-V284 HydrophobicContact CD2-CB 4.42Å; F242-V284 HydrophobicContact CE2-CB 3.99Å; F242-V284 HydrophobicContact CE2-CG2 4.08Å
243	L	86.3	Confident	86.8	Confident	51 Å²	51	48.6 Å²	48.6	27%	0.267	27%	0.27	S	S	.	.			trans	-88.5	86.6	-175.7	-60.1	177.1	0	0	0	109.3	A245 K246 A247 V284 T286	L243-A245 PolarHBondContact O-N 3.24Å; L243-A245 VanDerWaalsContact O-N 3.16Å; L243-K246 HydrophobicContact CB-CB 4.15Å; L243-K246 HydrophobicContact CB-CD 4.35Å; L243-K246 HydrophobicContact CB-CG 4.19Å; L243-K246 HydrophobicContact CD1-CD 3.74Å; L243-K246 HydrophobicContact CD1-CG 4.41Å; L243-K246 PolarHBondContact O-N 2.91Å; L243-K246 VanDerWaalsContact O-N 3.14Å; L243-A247 WeakPolarHBondContact O-CB 3.31Å; L243-A247 PolarHBondContact O-N 3.38Å; L243-V284 WeakPolarHBondContact CB-O 3.47Å; L243-V284 PolarHBondContact N-O 2.77Å; L243-T286 HydrophobicContact CD1-CG2 4.37Å; L243-T286 HydrophobicContact CD2-CG2 3.85Å; L243-T286 HydrophobicContact CG-CG2 4.27Å
244	V	85.8	Confident	86.1	Confident	70 Å²	70	50.3 Å²	50.3	42%	0.424	28%	0.28	S	S	.	.	H	α-helix	trans	-50.4	-40.4	-178.6	163.5	0	0	0	0	113	F242 A247 K248 V254	F242-V244 HydrophobicContact CD1-CG2 4.02Å; F242-V244 HydrophobicContact CE1-CG2 4.35Å; F242-V244 PolarHBondContact O-N 3.35Å; V244-A247 PolarHBondContact O-N 2.92Å; V244-K248 HydrophobicContact CG1-CD 4.38Å; V244-K248 WeakPolarHBondContact O-CG 3.36Å; V244-K248 PolarHBondContact O-N 3.43Å; V244-V254 HydrophobicContact CG1-CG1 3.81Å; V244-V254 HydrophobicContact CG2-CG1 4.45Å
245	A	86.4	Confident	85.3	Confident	66 Å²	66	51.4 Å²	51.4	55%	0.545	31%	0.307	S	S	.	.	H	α-helix	trans	-62.4	-54.3	178.5	0	0	0	0	0	111.6	L243 A247 K248 D249	L243-A245 PolarHBondContact O-N 3.24Å; L243-A245 VanDerWaalsContact O-N 3.16Å; A245-A247 VanDerWaalsContact C-N 3.26Å; A245-A247 PolarHBondContact O-N 2.92Å; A245-K248 WeakPolarHBondContact O-CB 3.22Å; A245-K248 PolarHBondContact O-N 2.91Å; A245-K248 VanDerWaalsContact O-N 3.11Å; A245-D249 VanDerWaalsContact O-CG 3.29Å; A245-D249 PolarHBondContact O-N 3.42Å
246	K	86.8	Confident	84.7	Confident	106 Å²	106	54.6 Å²	54.6	46%	0.461	33%	0.327	S	S	.	.	H	α-helix	trans	-61.1	-36.1	178.3	-63.4	-166.6	-179.6	-179.4	0	112.6	L243 D249 L250 Q283	L243-K246 HydrophobicContact CB-CB 4.15Å; L243-K246 HydrophobicContact CB-CD 4.35Å; L243-K246 HydrophobicContact CB-CG 4.19Å; L243-K246 HydrophobicContact CD1-CD 3.74Å; L243-K246 HydrophobicContact CD1-CG 4.41Å; L243-K246 PolarHBondContact O-N 2.91Å; L243-K246 VanDerWaalsContact O-N 3.14Å; K246-D249 PolarHBondContact O-N 3.45Å; K246-L250 WeakPolarHBondContact O-CG 3.26Å; K246-L250 PolarHBondContact O-N 3.25Å; K246-L250 VanDerWaalsContact O-N 3.09Å; K246-Q283 WeakPolarHBondContact CD-O 3.39Å
247	A	85.4	Confident	84.1	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	36%	0.362	C	S	.	.	H	α-helix	trans	-65	-41.1	176.3	0	0	0	0	0	112.5	F242 L243 V244 A245 D249 L250 G251 L252 V254 V284	F242-A247 HydrophobicContact CE1-CB 3.48Å; F242-A247 VanDerWaalsContact CE1-CB 3.48Å; F242-A247 HydrophobicContact CE2-CB 4.08Å; F242-A247 HydrophobicContact CZ-CB 3.2Å; L243-A247 WeakPolarHBondContact O-CB 3.31Å; L243-A247 PolarHBondContact O-N 3.38Å; V244-A247 PolarHBondContact O-N 2.92Å; A245-A247 VanDerWaalsContact C-N 3.26Å; A245-A247 PolarHBondContact O-N 2.92Å; A247-D249 VanDerWaalsContact C-N 3.35Å; A247-L250 PolarHBondContact O-N 3.08Å; A247-G251 PolarHBondContact O-N 3.48Å; A247-L252 HydrophobicContact CB-CB 4.3Å; A247-L252 HydrophobicContact CB-CD1 3.76Å; A247-L252 WeakPolarHBondContact O-CB 3.49Å; A247-L252 PolarHBondContact O-N 3.25Å; A247-V254 HydrophobicContact CB-CG2 3.92Å; A247-V284 HydrophobicContact CB-CG1 4.29Å
248	K	85.8	Confident	83.6	Confident	125 Å²	125	61.7 Å²	61.7	54%	0.543	37%	0.37	S	S	.	.	H	α-helix	trans	-63	-42.1	173.1	-75.7	179.6	177.9	-173.5	0	111.5	V244 A245 L250 G251 V254	V244-K248 HydrophobicContact CG1-CD 4.38Å; V244-K248 WeakPolarHBondContact O-CG 3.36Å; V244-K248 PolarHBondContact O-N 3.43Å; A245-K248 WeakPolarHBondContact O-CB 3.22Å; A245-K248 PolarHBondContact O-N 2.91Å; A245-K248 VanDerWaalsContact O-N 3.11Å; K248-L250 PolarHBondContact O-N 2.95Å; K248-G251 PolarHBondContact O-N 3.3Å; K248-V254 HydrophobicContact CG-CB 3.81Å; K248-V254 HydrophobicContact CG-CG1 4.43Å; K248-V254 HydrophobicContact CG-CG2 3.8Å
249	D	87.2	Confident	83.5	Confident	135 Å²	135	60.9 Å²	60.9	72%	0.722	37%	0.367	S	S	*	.	H	α-helix	trans	-62.4	-30.2	177.9	-60.5	-23.8	0	0	0	112.2	A245 K246 A247 G251	A245-D249 VanDerWaalsContact O-CG 3.29Å; A245-D249 PolarHBondContact O-N 3.42Å; K246-D249 PolarHBondContact O-N 3.45Å; A247-D249 VanDerWaalsContact C-N 3.35Å; D249-G251 VanDerWaalsContact C-N 3.31Å
250	L	85.6	Confident	83.5	Confident	53 Å²	53	61 Å²	61	28%	0.277	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.9	1.9	176.5	-68.4	169.8	0	0	0	113.9	K246 A247 K248 I279 Q283 V284	K246-L250 WeakPolarHBondContact O-CG 3.26Å; K246-L250 PolarHBondContact O-N 3.25Å; K246-L250 VanDerWaalsContact O-N 3.09Å; A247-L250 PolarHBondContact O-N 3.08Å; K248-L250 PolarHBondContact O-N 2.95Å; L250-I279 HydrophobicContact CB-CD1 4.34Å; L250-I279 HydrophobicContact CD1-CG2 4.34Å; L250-Q283 HydrophobicContact CD1-CB 4.08Å; L250-V284 HydrophobicContact CD1-CG1 3.47Å; L250-V284 VanDerWaalsContact CD1-CG1 3.47Å
251	G	82.5	Confident	83.8	Confident	44 Å²	44	64.8 Å²	64.8	45%	0.454	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.7	11.1	175.6	0	0	0	0	0	115	A247 K248 D249	A247-G251 PolarHBondContact O-N 3.48Å; K248-G251 PolarHBondContact O-N 3.3Å; D249-G251 VanDerWaalsContact C-N 3.31Å
252	L	85.8	Confident	83.9	Confident	8 Å²	8	62.3 Å²	62.3	4%	0.042	39%	0.389	C	S	.	.			trans	-67.1	146.2	176.9	-73.5	168.3	0	0	0	111.2	F242 A247 V254 I259 L262 L266 I272 H274 I279 V284	F242-L252 HydrophobicContact CZ-CD1 4.14Å; A247-L252 HydrophobicContact CB-CB 4.3Å; A247-L252 HydrophobicContact CB-CD1 3.76Å; A247-L252 WeakPolarHBondContact O-CB 3.49Å; A247-L252 PolarHBondContact O-N 3.25Å; L252-V254 HydrophobicContact CB-CG2 4.28Å; L252-V254 PolarHBondContact O-N 3.37Å; L252-I259 HydrophobicContact CB-CD1 3.7Å; L252-I259 HydrophobicContact CD2-CD1 4.3Å; L252-I259 HydrophobicContact CG-CD1 4.42Å; L252-L262 HydrophobicContact CD2-CD1 3.97Å; L252-L266 HydrophobicContact CD1-CD1 4.27Å; L252-I272 HydrophobicContact CD2-CD1 3.91Å; L252-H274 HydrophobicContact CD2-CB 4.11Å; L252-I279 HydrophobicContact CD1-CD1 4.04Å; L252-I279 HydrophobicContact CD1-CG2 4.46Å; L252-I279 HydrophobicContact CD2-CD1 3.72Å; L252-I279 HydrophobicContact CG-CD1 3.71Å; L252-V284 HydrophobicContact CD1-CG1 4.36Å
253	P	83.6	Confident	83.8	Confident	28 Å²	28	63 Å²	63	18%	0.182	39%	0.394	C	S	.	.			trans	-79.2	56.3	-171.6	34.3	-39	0	0	0	112	G255 T256 E258 I259 L262 H274	P253-G255 PolarHBondContact O-N 2.83Å; P253-T256 HydrophobicContact CB-CG2 4.15Å; P253-T256 WeakPolarHBondContact O-CB 3.44Å; P253-T256 WeakPolarHBondContact O-CG2 3.45Å; P253-T256 PolarHBondContact O-N 2.97Å; P253-T256 PolarHBondContact O-OG1 3.04Å; P253-E258 HydrophobicContact CG-CB 4.37Å; P253-I259 HydrophobicContact CG-CB 4.47Å; P253-I259 HydrophobicContact CG-CD1 4.22Å; P253-I259 WeakPolarHBondContact O-CB 3.24Å; P253-L262 HydrophobicContact CG-CD1 4.36Å; P253-H274 WeakPolarHBondContact CD-NE2 3.48Å
254	V	83.3	Confident	83.6	Confident	37 Å²	37	68.9 Å²	68.9	22%	0.224	41%	0.412	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	123.6	-174.1	-174.9	0	0	0	0	111.2	V244 A247 K248 L252 I259	V244-V254 HydrophobicContact CG1-CG1 3.81Å; V244-V254 HydrophobicContact CG2-CG1 4.45Å; A247-V254 HydrophobicContact CB-CG2 3.92Å; K248-V254 HydrophobicContact CG-CB 3.81Å; K248-V254 HydrophobicContact CG-CG1 4.43Å; K248-V254 HydrophobicContact CG-CG2 3.8Å; L252-V254 HydrophobicContact CB-CG2 4.28Å; L252-V254 PolarHBondContact O-N 3.37Å; V254-I259 HydrophobicContact CG2-CD1 4.23Å; V254-I259 HydrophobicContact CG2-CG1 4.35Å
255	G	77.1	Confident	83.5	Confident	79 Å²	79	66.2 Å²	66.2	81%	0.814	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	102.2	-2.8	-177	0	0	0	0	0	114.1	P253	P253-G255 PolarHBondContact O-N 2.83Å
256	T	83.1	Confident	83.5	Confident	69 Å²	69	63.2 Å²	63.2	42%	0.423	37%	0.373	S	S	.	.	S	Bend	trans	-96.8	168.6	172	70.9	0	0	0	0	111.4	P253 E258 I259	P253-T256 HydrophobicContact CB-CG2 4.15Å; P253-T256 WeakPolarHBondContact O-CB 3.44Å; P253-T256 WeakPolarHBondContact O-CG2 3.45Å; P253-T256 PolarHBondContact O-N 2.97Å; P253-T256 PolarHBondContact O-OG1 3.04Å; T256-E258 PolarHBondContact O-N 3.27Å; T256-E258 PolarHBondContact OG1-N 3.06Å; T256-I259 VanDerWaalsContact O-CG2 3.25Å; T256-I259 WeakPolarHBondContact O-CG2 3.4Å
257	A	79.4	Confident	83.2	Confident	97 Å²	97	61.2 Å²	61.2	80%	0.802	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-22.2	172.6	0	0	0	0	0	112.9	I259	A257-I259 PolarHBondContact O-N 2.59Å
258	E	77.9	Confident	83	Confident	139 Å²	139	64.5 Å²	64.5	65%	0.65	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-22.6	-173.6	-61.9	176.7	-179.4	0	0	113.1	P253 T256 G260 P261	P253-E258 HydrophobicContact CG-CB 4.37Å; T256-E258 PolarHBondContact O-N 3.27Å; T256-E258 PolarHBondContact OG1-N 3.06Å; E258-G260 VanDerWaalsContact C-N 3.29Å; E258-G260 PolarHBondContact O-N 3.08Å; E258-P261 WeakPolarHBondContact O-CD 3.42Å
259	I	84.3	Confident	82.8	Confident	13 Å²	13	61 Å²	61	7%	0.067	38%	0.382	C	S	.	.	H	α-helix	trans	-71.1	-23.3	179.2	-162.7	63	0	0	0	113.2	L252 P253 V254 T256 A257 L262 I263	L252-I259 HydrophobicContact CB-CD1 3.7Å; L252-I259 HydrophobicContact CD2-CD1 4.3Å; L252-I259 HydrophobicContact CG-CD1 4.42Å; P253-I259 HydrophobicContact CG-CB 4.47Å; P253-I259 HydrophobicContact CG-CD1 4.22Å; P253-I259 WeakPolarHBondContact O-CB 3.24Å; V254-I259 HydrophobicContact CG2-CD1 4.23Å; V254-I259 HydrophobicContact CG2-CG1 4.35Å; T256-I259 VanDerWaalsContact O-CG2 3.25Å; T256-I259 WeakPolarHBondContact O-CG2 3.4Å; A257-I259 PolarHBondContact O-N 2.59Å; I259-L262 HydrophobicContact CD1-CB 4.43Å; I259-L262 HydrophobicContact CD1-CD1 4.4Å; I259-L262 PolarHBondContact O-N 3.4Å; I259-I263 HydrophobicContact CB-CD1 4.43Å; I259-I263 HydrophobicContact CG1-CD1 3.67Å; I259-I263 HydrophobicContact CG1-CG1 3.89Å; I259-I263 HydrophobicContact CG2-CD1 4.08Å; I259-I263 WeakPolarHBondContact O-CG1 3.23Å; I259-I263 PolarHBondContact O-N 2.81Å
260	G	81.9	Confident	82.8	Confident	40 Å²	40	59.7 Å²	59.7	41%	0.412	37%	0.371	S	S	.	.	H	α-helix	trans	-58.9	-53.5	-174.2	0	0	0	0	0	113.7	E258 L262 I263 R264	E258-G260 VanDerWaalsContact C-N 3.29Å; E258-G260 PolarHBondContact O-N 3.08Å; G260-L262 VanDerWaalsContact C-N 3.33Å; G260-L262 PolarHBondContact O-N 3.34Å; G260-I263 PolarHBondContact O-N 3.05Å; G260-R264 PolarHBondContact O-N 3.39Å; G260-R264 VanDerWaalsContact O-N 3.16Å
261	P	84.6	Confident	82.9	Confident	86 Å²	86	60.5 Å²	60.5	56%	0.558	38%	0.378	S	S	*	.	H	α-helix	trans	-58.9	-40.4	173.5	-26.3	35.4	0	0	0	113.5	E258 R264 A265	E258-P261 WeakPolarHBondContact O-CD 3.42Å; P261-R264 WeakPolarHBondContact O-CB 3.29Å; P261-R264 PolarHBondContact O-N 2.8Å; P261-A265 PolarHBondContact O-N 3.35Å
262	L	84.1	Confident	83.3	Confident	37 Å²	37	59.2 Å²	59.2	19%	0.194	36%	0.361	C	S	.	.	H	α-helix	trans	-65.1	-43.2	179.8	-59.9	-179.5	0	0	0	111.9	L252 P253 I259 G260 R264 A265 L266 I272	L252-L262 HydrophobicContact CD2-CD1 3.97Å; P253-L262 HydrophobicContact CG-CD1 4.36Å; I259-L262 HydrophobicContact CD1-CB 4.43Å; I259-L262 HydrophobicContact CD1-CD1 4.4Å; I259-L262 PolarHBondContact O-N 3.4Å; G260-L262 VanDerWaalsContact C-N 3.33Å; G260-L262 PolarHBondContact O-N 3.34Å; L262-R264 VanDerWaalsContact C-N 3.28Å; L262-R264 PolarHBondContact O-N 3.41Å; L262-A265 PolarHBondContact O-N 3.45Å; L262-L266 WeakPolarHBondContact O-CB 3.34Å; L262-L266 WeakPolarHBondContact O-CD1 3.24Å; L262-L266 WeakPolarHBondContact O-CG 3.41Å; L262-L266 PolarHBondContact O-N 3.03Å; L262-I272 HydrophobicContact CB-CD1 3.86Å; L262-I272 HydrophobicContact CD1-CD1 4.38Å; L262-I272 HydrophobicContact CD2-CD1 3.92Å; L262-I272 HydrophobicContact CG-CD1 4.26Å
263	I	82.9	Confident	83.3	Confident	41 Å²	41	64.9 Å²	64.9	21%	0.21	39%	0.389	C	S	.	.	H	α-helix	trans	-60.4	-40.6	173.9	-71.5	166.4	0	0	0	110.7	F242 I259 G260 K267	F242-I263 HydrophobicContact CB-CG2 4.27Å; F242-I263 HydrophobicContact CD1-CD1 3.97Å; F242-I263 HydrophobicContact CD1-CG1 3.9Å; F242-I263 HydrophobicContact CD2-CG1 4Å; F242-I263 HydrophobicContact CD2-CG2 4.37Å; F242-I263 HydrophobicContact CE1-CD1 3.91Å; F242-I263 HydrophobicContact CE1-CG1 3.75Å; F242-I263 HydrophobicContact CE2-CG1 3.85Å; F242-I263 HydrophobicContact CG-CD1 4.46Å; F242-I263 HydrophobicContact CG-CG1 4Å; F242-I263 HydrophobicContact CG-CG2 4.24Å; F242-I263 HydrophobicContact CZ-CD1 4.34Å; F242-I263 HydrophobicContact CZ-CG1 3.7Å; I259-I263 HydrophobicContact CB-CD1 4.43Å; I259-I263 HydrophobicContact CG1-CD1 3.67Å; I259-I263 HydrophobicContact CG1-CG1 3.89Å; I259-I263 HydrophobicContact CG2-CD1 4.08Å; I259-I263 WeakPolarHBondContact O-CG1 3.23Å; I259-I263 PolarHBondContact O-N 2.81Å; G260-I263 PolarHBondContact O-N 3.05Å; I263-K267 HydrophobicContact CG2-CD 4.02Å; I263-K267 HydrophobicContact CG2-CG 4.28Å; I263-K267 VanDerWaalsContact O-CB 3.26Å; I263-K267 WeakPolarHBondContact O-CB 3.46Å; I263-K267 VanDerWaalsContact O-CG 3.32Å; I263-K267 WeakPolarHBondContact O-CG 3.28Å; I263-K267 PolarHBondContact O-N 2.71Å
264	R	83	Confident	83.3	Confident	173 Å²	173	65.3 Å²	65.3	65%	0.653	39%	0.388	S	S	*	.	H	α-helix	trans	-64.7	-48.5	179.4	-175.7	-177.7	-70.3	162.4	-1.2	111.1	G260 P261 L262 K267 N268	G260-R264 PolarHBondContact O-N 3.39Å; G260-R264 VanDerWaalsContact O-N 3.16Å; P261-R264 WeakPolarHBondContact O-CB 3.29Å; P261-R264 PolarHBondContact O-N 2.8Å; L262-R264 VanDerWaalsContact C-N 3.28Å; L262-R264 PolarHBondContact O-N 3.41Å; R264-K267 PolarHBondContact O-N 3.03Å; R264-N268 WeakPolarHBondContact O-CB 3.43Å; R264-N268 PolarHBondContact O-N 2.94Å; R264-N268 PolarHBondContact O-ND2 3.48Å; R264-N268 PolarHBondContact O-OD1 3.32Å
265	A	83.7	Confident	83.2	Confident	15 Å²	15	70 Å²	70	12%	0.124	41%	0.412	C	S	.	.	H	α-helix	trans	-57.8	-51.2	177.2	0	0	0	0	0	111.2	P261 L262 K267 N268 G269 E270 I272	P261-A265 PolarHBondContact O-N 3.35Å; L262-A265 PolarHBondContact O-N 3.45Å; A265-K267 PolarHBondContact O-N 3.47Å; A265-N268 WeakPolarHBondContact O-CA 3.49Å; A265-N268 WeakPolarHBondContact O-CB 3.07Å; A265-N268 PolarHBondContact O-N 3.42Å; A265-G269 PolarHBondContact O-N 3.19Å; A265-E270 HydrophobicContact CB-CB 4.18Å; A265-E270 WeakPolarHBondContact O-CB 3.2Å; A265-E270 PolarHBondContact O-N 2.89Å; A265-I272 HydrophobicContact CB-CG2 3.69Å
266	L	84.8	Confident	83.2	Confident	2 Å²	2	69.8 Å²	69.8	1%	0.01	41%	0.409	C	S	.	.	H	α-helix	trans	-60.7	-41.9	178.4	-75.3	165	0	0	0	113	F242 L252 L262 N268 G269 I272 I279 P281 V284	F242-L266 HydrophobicContact CE2-CD1 3.94Å; L252-L266 HydrophobicContact CD1-CD1 4.27Å; L262-L266 WeakPolarHBondContact O-CB 3.34Å; L262-L266 WeakPolarHBondContact O-CD1 3.24Å; L262-L266 WeakPolarHBondContact O-CG 3.41Å; L262-L266 PolarHBondContact O-N 3.03Å; L266-N268 PolarHBondContact O-N 3.32Å; L266-G269 PolarHBondContact O-N 3.28Å; L266-G269 VanDerWaalsContact O-N 3.13Å; L266-I272 HydrophobicContact CD1-CD1 3.47Å; L266-I272 VanDerWaalsContact CD1-CD1 3.47Å; L266-I272 HydrophobicContact CD1-CG1 4.11Å; L266-I272 HydrophobicContact CD2-CD1 4.26Å; L266-I272 HydrophobicContact CD2-CG1 3.95Å; L266-I272 HydrophobicContact CD2-CG2 4.48Å; L266-I272 HydrophobicContact CG-CD1 3.81Å; L266-I272 HydrophobicContact CG-CG1 3.99Å; L266-I272 HydrophobicContact CG-CG2 4.16Å; L266-I279 HydrophobicContact CD2-CG2 4.16Å; L266-P281 HydrophobicContact CD2-CG 4.45Å; L266-P281 WeakPolarHBondContact O-CB 3.45Å; L266-V284 HydrophobicContact CB-CG2 4.4Å; L266-V284 HydrophobicContact CD1-CG2 3.65Å; L266-V284 HydrophobicContact CD2-CG2 3.81Å; L266-V284 HydrophobicContact CG-CG2 4.18Å
267	K	81.1	Confident	83.2	Confident	64 Å²	64	72.6 Å²	72.6	28%	0.278	42%	0.415	S	S	.	.	H	α-helix	trans	-69.4	-19.6	175.3	-77.8	-170	172.8	-163.1	0	113.7	K239 G240 I263 R264 A265 G269	K239-K267 HydrophobicContact CD-CB 4.44Å; G240-K267 WeakPolarHBondContact O-CE 3.36Å; I263-K267 HydrophobicContact CG2-CD 4.02Å; I263-K267 HydrophobicContact CG2-CG 4.28Å; I263-K267 VanDerWaalsContact O-CB 3.26Å; I263-K267 WeakPolarHBondContact O-CB 3.46Å; I263-K267 VanDerWaalsContact O-CG 3.32Å; I263-K267 WeakPolarHBondContact O-CG 3.28Å; I263-K267 PolarHBondContact O-N 2.71Å; R264-K267 PolarHBondContact O-N 3.03Å; A265-K267 PolarHBondContact O-N 3.47Å; K267-G269 VanDerWaalsContact C-N 3.25Å
268	N	80.8	Confident	83.6	Confident	69 Å²	69	72.6 Å²	72.6	37%	0.369	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-1.7	173.3	-69.9	-8.6	0	0	0	112.7	K239 R264 A265 L266 E270	K239-N268 PolarHBondContact NZ-OD1 3.28Å; R264-N268 WeakPolarHBondContact O-CB 3.43Å; R264-N268 PolarHBondContact O-N 2.94Å; R264-N268 PolarHBondContact O-ND2 3.48Å; R264-N268 PolarHBondContact O-OD1 3.32Å; A265-N268 WeakPolarHBondContact O-CA 3.49Å; A265-N268 WeakPolarHBondContact O-CB 3.07Å; A265-N268 PolarHBondContact O-N 3.42Å; L266-N268 PolarHBondContact O-N 3.32Å; N268-E270 HydrophobicContact CB-CG 4.35Å
269	G	81.9	Confident	84.1	Confident	53 Å²	53	66.1 Å²	66.1	55%	0.546	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.9	10.5	-175.9	0	0	0	0	0	113.3	A265 L266 K267 P281	A265-G269 PolarHBondContact O-N 3.19Å; L266-G269 PolarHBondContact O-N 3.28Å; L266-G269 VanDerWaalsContact O-N 3.13Å; K267-G269 VanDerWaalsContact C-N 3.25Å; G269-P281 VanDerWaalsContact C-CG 3.5Å
270	E	86.7	Confident	84.3	Confident	107 Å²	107	71.6 Å²	71.6	50%	0.5	39%	0.389	S	S	.	.			trans	-86.4	130	178.1	-59.3	167.2	-155.4	0	0	110.2	A265 N268	A265-E270 HydrophobicContact CB-CB 4.18Å; A265-E270 WeakPolarHBondContact O-CB 3.2Å; A265-E270 PolarHBondContact O-N 2.89Å; N268-E270 HydrophobicContact CB-CG 4.35Å
271	T	89.1	Confident	84.4	Confident	70 Å²	70	70.2 Å²	70.2	43%	0.429	37%	0.373	S	S	.	.			trans	-73	132.2	169.1	-58.9	0	0	0	0	109.5	E278 I279 R280	T271-E278 HydrophobicContact CG2-CG 3.28Å; T271-I279 WeakPolarHBondContact CG2-O 3.35Å; T271-R280 HydrophobicContact CG2-CG 4.03Å
272	I	89.8	Confident	84.5	Confident	16 Å²	16	72.8 Å²	72.8	8%	0.082	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	150.5	179.1	66.2	171.2	0	0	0	110.9	L252 L262 A265 L266 I279	L252-I272 HydrophobicContact CD2-CD1 3.91Å; L262-I272 HydrophobicContact CB-CD1 3.86Å; L262-I272 HydrophobicContact CD1-CD1 4.38Å; L262-I272 HydrophobicContact CD2-CD1 3.92Å; L262-I272 HydrophobicContact CG-CD1 4.26Å; A265-I272 HydrophobicContact CB-CG2 3.69Å; L266-I272 HydrophobicContact CD1-CD1 3.47Å; L266-I272 VanDerWaalsContact CD1-CD1 3.47Å; L266-I272 HydrophobicContact CD1-CG1 4.11Å; L266-I272 HydrophobicContact CD2-CD1 4.26Å; L266-I272 HydrophobicContact CD2-CG1 3.95Å; L266-I272 HydrophobicContact CD2-CG2 4.48Å; L266-I272 HydrophobicContact CG-CD1 3.81Å; L266-I272 HydrophobicContact CG-CG1 3.99Å; L266-I272 HydrophobicContact CG-CG2 4.16Å; I272-I279 HydrophobicContact CG1-CB 3.97Å; I272-I279 PolarHBondContact N-O 3.04Å; I272-I279 PolarHBondContact O-N 2.8Å
273	M	86.3	Confident	84.6	Confident	128 Å²	128	75 Å²	75	63%	0.631	39%	0.386	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.4	123.5	168.1	-68.9	-63.1	-67.2	0	0	108.9	K277 E278	M273-K277 WeakPolarHBondContact CA-O 3.24Å; M273-E278 VanDerWaalsContact SD-CA 3.57Å; M273-E278 HydrophobicContact SD-CB 3.75Å; M273-E278 HydrophobicContact SD-CG 4.18Å
274	H	83.2	Confident	84.7	Confident	36 Å²	36	73 Å²	73	17%	0.167	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	126.9	177.5	-170.5	67.5	0	0	0	109.8	L252 P253 G276 K277 I279	L252-H274 HydrophobicContact CD2-CB 4.11Å; P253-H274 WeakPolarHBondContact CD-NE2 3.48Å; H274-G276 PolarHBondContact O-N 2.73Å; H274-G276 VanDerWaalsContact O-N 3.17Å; H274-K277 PolarHBondContact N-O 3.19Å; H274-K277 PolarHBondContact O-N 2.95Å; H274-I279 HydrophobicContact CB-CD1 4.13Å
275	D	81.1	Confident	84.8	Confident	137 Å²	137	65.3 Å²	65.3	73%	0.733	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.7	41.5	-175.9	-68.6	-8.4	0	0	0	114.4	K277	D275-K277 PolarHBondContact O-N 3.08Å
276	G	77.3	Confident	84.8	Confident	73 Å²	73	67 Å²	67	75%	0.753	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.7	4.4	180	0	0	0	0	0	115.2	H274	H274-G276 PolarHBondContact O-N 2.73Å; H274-G276 VanDerWaalsContact O-N 3.17Å
277	K	82.6	Confident	84.7	Confident	128 Å²	128	72.4 Å²	72.4	56%	0.557	39%	0.393	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.4	137.3	175.9	-63.9	178	-176.8	172.1	0	111.4	M273 H274 D275	M273-K277 WeakPolarHBondContact CA-O 3.24Å; H274-K277 PolarHBondContact N-O 3.19Å; H274-K277 PolarHBondContact O-N 2.95Å; D275-K277 PolarHBondContact O-N 3.08Å
278	E	88.8	Confident	84.8	Confident	98 Å²	98	74.8 Å²	74.8	46%	0.458	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	115.5	170.1	-171.9	-170.1	153.2	0	0	109	T271 M273 R280	T271-E278 HydrophobicContact CG2-CG 3.28Å; M273-E278 VanDerWaalsContact SD-CA 3.57Å; M273-E278 HydrophobicContact SD-CB 3.75Å; M273-E278 HydrophobicContact SD-CG 4.18Å; E278-R280 IonicContact OE1-CZ 3.4Å; E278-R280 IonicContact OE1-NE 2.89Å; E278-R280 PolarHBondContact OE1-NE 2.8Å; E278-R280 IonicContact OE1-NH2 3.03Å; E278-R280 PolarHBondContact OE1-NH2 3.37Å; E278-R280 IonicContact OE2-NH2 3.99Å
279	I	88.4	Confident	84.9	Confident	3 Å²	3	73.9 Å²	73.9	2%	0.015	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	117.5	177.9	-58.7	175.4	0	0	0	108.5	L250 L252 L266 T271 I272 H274 V284	L250-I279 HydrophobicContact CB-CD1 4.34Å; L250-I279 HydrophobicContact CD1-CG2 4.34Å; L252-I279 HydrophobicContact CD1-CD1 4.04Å; L252-I279 HydrophobicContact CD1-CG2 4.46Å; L252-I279 HydrophobicContact CD2-CD1 3.72Å; L252-I279 HydrophobicContact CG-CD1 3.71Å; L266-I279 HydrophobicContact CD2-CG2 4.16Å; T271-I279 WeakPolarHBondContact CG2-O 3.35Å; I272-I279 HydrophobicContact CG1-CB 3.97Å; I272-I279 PolarHBondContact N-O 3.04Å; I272-I279 PolarHBondContact O-N 2.8Å; H274-I279 HydrophobicContact CB-CD1 4.13Å; I279-V284 HydrophobicContact CG2-CG1 3.97Å; I279-V284 HydrophobicContact CG2-CG2 4.05Å
280	R	88.1	Confident	84.9	Confident	127 Å²	127	75.4 Å²	75.4	48%	0.479	40%	0.403	S	S	.	.			trans	-94.3	149.2	-179.3	-59.1	-173.4	173.5	-170	-0.6	111.9	T271 E278 E282 Q283	T271-R280 HydrophobicContact CG2-CG 4.03Å; E278-R280 IonicContact OE1-CZ 3.4Å; E278-R280 IonicContact OE1-NE 2.89Å; E278-R280 PolarHBondContact OE1-NE 2.8Å; E278-R280 IonicContact OE1-NH2 3.03Å; E278-R280 PolarHBondContact OE1-NH2 3.37Å; E278-R280 IonicContact OE2-NH2 3.99Å; R280-E282 VanDerWaalsContact CB-OE2 3.23Å; R280-E282 WeakPolarHBondContact CB-OE2 3.34Å; R280-E282 PolarHBondContact O-N 2.95Å; R280-E282 VanDerWaalsContact O-N 3.17Å; R280-Q283 HydrophobicContact CB-CG 4.42Å; R280-Q283 WeakPolarHBondContact O-CB 3.33Å; R280-Q283 PolarHBondContact O-N 2.7Å; R280-Q283 VanDerWaalsContact O-N 3.1Å
281	P	84.7	Confident	84.8	Confident	12 Å²	12	70.8 Å²	70.8	8%	0.078	38%	0.383	C	S	.	.	H	α-helix	trans	-49.9	-40.2	178.2	-29	35.6	0	0	0	114.1	L266 G269 Q283 V284 C285	L266-P281 HydrophobicContact CD2-CG 4.45Å; L266-P281 WeakPolarHBondContact O-CB 3.45Å; G269-P281 VanDerWaalsContact C-CG 3.5Å; P281-Q283 PolarHBondContact O-N 3.24Å; P281-V284 PolarHBondContact O-N 2.87Å; P281-C285 WeakPolarHBondContact O-CA 3.4Å; P281-C285 VanDerWaalsContact O-CB 3.28Å; P281-C285 WeakPolarHBondContact O-CB 3.29Å; P281-C285 PolarHBondContact O-N 2.86Å
282	E	87.1	Confident	85	Confident	139 Å²	139	68 Å²	68	65%	0.65	37%	0.367	S	S	*	.	H	α-helix	trans	-68.7	-20.8	-174.5	-51	72.7	-148.3	0	0	112.8	R280	R280-E282 VanDerWaalsContact CB-OE2 3.23Å; R280-E282 WeakPolarHBondContact CB-OE2 3.34Å; R280-E282 PolarHBondContact O-N 2.95Å; R280-E282 VanDerWaalsContact O-N 3.17Å
283	Q	85.1	Confident	85.3	Confident	84 Å²	84	67.3 Å²	67.3	39%	0.393	36%	0.363	S	S	.	.	H	α-helix	trans	-77.7	-28	178.7	-62.5	175.8	-48.1	0	0	111.9	K246 L250 R280 P281	K246-Q283 WeakPolarHBondContact CD-O 3.39Å; L250-Q283 HydrophobicContact CD1-CB 4.08Å; R280-Q283 HydrophobicContact CB-CG 4.42Å; R280-Q283 WeakPolarHBondContact O-CB 3.33Å; R280-Q283 PolarHBondContact O-N 2.7Å; R280-Q283 VanDerWaalsContact O-N 3.1Å; P281-Q283 PolarHBondContact O-N 3.24Å
284	V	85.6	Confident	85.8	Confident	0 Å²	0	61.2 Å²	61.2	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-129.6	-4.5	-168.2	-66.5	0	0	0	0	114.1	F242 L243 A247 L250 L252 L266 I279 P281	F242-V284 HydrophobicContact CD2-CB 4.42Å; F242-V284 HydrophobicContact CE2-CB 3.99Å; F242-V284 HydrophobicContact CE2-CG2 4.08Å; L243-V284 WeakPolarHBondContact CB-O 3.47Å; L243-V284 PolarHBondContact N-O 2.77Å; A247-V284 HydrophobicContact CB-CG1 4.29Å; L250-V284 HydrophobicContact CD1-CG1 3.47Å; L250-V284 VanDerWaalsContact CD1-CG1 3.47Å; L252-V284 HydrophobicContact CD1-CG1 4.36Å; L266-V284 HydrophobicContact CB-CG2 4.4Å; L266-V284 HydrophobicContact CD1-CG2 3.65Å; L266-V284 HydrophobicContact CD2-CG2 3.81Å; L266-V284 HydrophobicContact CG-CG2 4.18Å; I279-V284 HydrophobicContact CG2-CG1 3.97Å; I279-V284 HydrophobicContact CG2-CG2 4.05Å; P281-V284 PolarHBondContact O-N 2.87Å
285	C	85.2	Confident	86.5	Confident	11 Å²	11	59.6 Å²	59.6	7%	0.074	33%	0.326	C	S	.	.	B	Isolated β-bridge	trans	-123.9	148.2	174.1	-61.4	0	0	0	0	110.5	N241 P281	N241-C285 CarbonylContact O-C 3.56Å; N241-C285 VanDerWaalsContact O-CA 3.27Å; N241-C285 WeakPolarHBondContact O-CA 3.46Å; P281-C285 WeakPolarHBondContact O-CA 3.4Å; P281-C285 VanDerWaalsContact O-CB 3.28Å; P281-C285 WeakPolarHBondContact O-CB 3.29Å; P281-C285 PolarHBondContact O-N 2.86Å
286	T	83.4	Confident	87.3	Confident	50 Å²	50	53.1 Å²	53.1	31%	0.307	29%	0.291	S	S	.	.	P	Polyproline II helix	trans	-67.8	159.7	164.7	65.9	0	0	0	0	110.1	G240 N241 L243	G240-T286 VanDerWaalsContact CA-O 3.23Å; G240-T286 WeakPolarHBondContact CA-O 3.28Å; G240-T286 WeakPolarHBondContact CA-OG1 3.25Å; N241-T286 HydrophobicContact CB-CG2 4.24Å; N241-T286 PolarHBondContact N-OG1 3.49Å; N241-T286 PolarHBondContact O-N 3.35Å; L243-T286 HydrophobicContact CD1-CG2 4.37Å; L243-T286 HydrophobicContact CD2-CG2 3.85Å; L243-T286 HydrophobicContact CG-CG2 4.27Å
287	P	82.3	Confident	88.2	Confident	115 Å²	115	49.7 Å²	49.7	75%	0.747	26%	0.255	S	S	*	.	P	Polyproline II helix	trans	-54	154.8	172.1	-25.3	34.8	0	0	0	112.4	D289	P287-D289 PolarHBondContact O-N 2.94Å
288	I	82.9	Confident	88.8	Confident	115 Å²	115	44.3 Å²	44.3	59%	0.59	23%	0.232	S	C	*	.	P	Polyproline II helix	trans	-64.7	131.2	170	-63.5	174.3	0	0	0	107.8	P237 P290	P237-I288 HydrophobicContact CB-CG2 4.17Å; I288-P290 WeakPolarHBondContact O-CD 3.37Å
289	D	83.1	Confident	89.2	Confident	50 Å²	50	39.7 Å²	39.7	27%	0.267	21%	0.211	S	C	.	.	B	Isolated β-bridge	trans	-82.8	110	172.2	167.1	2.9	0	0	0	107.4	P237 K238 P287 R417	P237-D289 WeakPolarHBondContact CA-O 3.12Å; K238-D289 HydrophobicContact CB-CB 4.12Å; K238-D289 PolarHBondContact N-O 3.38Å; K238-D289 PolarHBondContact O-N 3.04Å; P287-D289 PolarHBondContact O-N 2.94Å; D289-R417 VanDerWaalsContact CG-NE 3.34Å; D289-R417 PolarHBondContact O-NH2 3.47Å; D289-R417 IonicContact OD1-CZ 3.97Å; D289-R417 IonicContact OD1-NE 2.99Å; D289-R417 PolarHBondContact OD1-NE 2.81Å; D289-R417 IonicContact OD1-NH2 3.47Å; D289-R417 PolarHBondContact OD1-NH2 3.41Å; D289-R417 WeakPolarHBondContact OD2-CD 3.49Å; D289-R417 IonicContact OD2-CZ 3.85Å; D289-R417 IonicContact OD2-NE 3.04Å; D289-R417 PolarHBondContact OD2-NE 3.37Å; D289-R417 IonicContact OD2-NH2 2.71Å
290	P	81.8	Confident	89.4	Confident	85 Å²	85	41.2 Å²	41.2	55%	0.552	22%	0.221	S	C	*	.			trans	-61.5	151.8	-178.5	28.1	-33.8	0	0	0	109.7	I288 P292 R417	I288-P290 WeakPolarHBondContact O-CD 3.37Å; P290-P292 WeakPolarHBondContact O-CD 3.26Å; P290-R417 PolarHBondContact O-NH2 3.22Å
291	G	85.9	Confident	89.7	Confident	9 Å²	9	36.9 Å²	36.9	9%	0.093	21%	0.21	C	C	.	.			trans	-79.9	103.6	177.2	0	0	0	0	0	110.9	L235	L235-G291 VanDerWaalsContact O-CA 3.25Å; L235-G291 WeakPolarHBondContact O-CA 3.19Å
292	P	93	Very high	90.1	Very high	12 Å²	12	41.8 Å²	41.8	8%	0.078	23%	0.232	C	C	.	.			trans	-61.9	152.2	179.5	27.3	-36.1	0	0	0	111	L235 P290 V327 L416 M420	L235-P292 HydrophobicContact CB-CG 4.41Å; L235-P292 HydrophobicContact CD1-CG 3.71Å; L235-P292 HydrophobicContact CG-CG 4.16Å; L235-P292 PolarHBondContact N-O 3.14Å; P290-P292 WeakPolarHBondContact O-CD 3.26Å; P292-V327 HydrophobicContact CB-CG1 3.96Å; P292-V327 HydrophobicContact CB-CG2 3.84Å; P292-L416 HydrophobicContact CG-CB 4.39Å; P292-L416 HydrophobicContact CG-CD2 4.43Å; P292-M420 HydrophobicContact CB-CE 3.72Å; P292-M420 HydrophobicContact CG-CE 4.08Å
293	V	95.4	Very high	90.4	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.006	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	134.4	178.8	-179.1	0	0	0	0	109.3	V232 C233 K234 L295 F317 A326 V327	V232-V293 HydrophobicContact CG1-CG1 3.69Å; C233-V293 WeakPolarHBondContact O-CA 3.41Å; K234-V293 HydrophobicContact CB-CG2 4.13Å; K234-V293 HydrophobicContact CD-CG2 4.26Å; K234-V293 HydrophobicContact CG-CG2 3.91Å; V293-L295 HydrophobicContact CG1-CD1 3.89Å; V293-F317 HydrophobicContact CB-CD1 4.44Å; V293-F317 HydrophobicContact CG1-CD1 3.85Å; V293-F317 HydrophobicContact CG1-CE1 4.09Å; V293-F317 HydrophobicContact CG1-CG 4.44Å; V293-F317 HydrophobicContact CG2-CD1 4.34Å; V293-F317 HydrophobicContact CG2-CE1 4.29Å; V293-A326 CarbonylContact O-C 3.06Å; V293-A326 WeakPolarHBondContact O-CA 3.43Å; V293-V327 WeakPolarHBondContact O-CG2 3.42Å; V293-V327 PolarHBondContact O-N 2.87Å
294	F	97.5	Very high	90.8	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	151	168.2	72.2	-84.7	0	0	0	111.1	V41 V57 M159 C233 L235 V296 L328 L416	V41-F294 HydrophobicContact CG2-CD2 4.33Å; V41-F294 HydrophobicContact CG2-CE1 4.48Å; V41-F294 HydrophobicContact CG2-CE2 4.24Å; V41-F294 HydrophobicContact CG2-CG 4.5Å; V41-F294 HydrophobicContact CG2-CZ 4.31Å; V57-F294 HydrophobicContact CG1-CZ 4.19Å; V57-F294 HydrophobicContact CG2-CE2 4.27Å; V57-F294 HydrophobicContact CG2-CZ 4.07Å; M159-F294 HydrophobicContact CE-CZ 4.42Å; M159-F294 HydrophobicContact SD-CE1 4.01Å; M159-F294 HydrophobicContact SD-CZ 4.06Å; C233-F294 HydrophobicContact CB-CD1 3.64Å; C233-F294 HydrophobicContact CB-CD2 4.05Å; C233-F294 HydrophobicContact CB-CE1 3.23Å; C233-F294 HydrophobicContact CB-CE2 3.66Å; C233-F294 HydrophobicContact CB-CG 4.04Å; C233-F294 HydrophobicContact CB-CZ 3.23Å; C233-F294 WeakPolarHBondContact CB-O 3.48Å; C233-F294 PolarHBondContact N-O 3.07Å; C233-F294 PolarHBondContact O-N 3.3Å; L235-F294 HydrophobicContact CD2-CE1 4.38Å; F294-V296 HydrophobicContact CD2-CG2 4.08Å; F294-V296 HydrophobicContact CE2-CG2 3.89Å; F294-L328 CarbonylContact C-O 3.56Å; F294-L328 WeakPolarHBondContact CA-O 3.29Å; F294-L328 HydrophobicContact CB-CB 3.92Å; F294-L328 HydrophobicContact CB-CD2 4.48Å; F294-L328 HydrophobicContact CB-CG 4.48Å; F294-L328 WeakPolarHBondContact CB-O 3.46Å; F294-L416 HydrophobicContact CD1-CD1 3.5Å; F294-L416 VanDerWaalsContact CD1-CD1 3.5Å; F294-L416 HydrophobicContact CE1-CD1 3.82Å; F294-L416 HydrophobicContact CG-CD1 4.23Å
295	L	97.9	Very high	91.2	Very high	2 Å²	2	36.3 Å²	36.3	1%	0.01	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	142.7	-178.1	-81.3	61.1	0	0	0	109.9	F231 V232 V293 L314 A326 L328 V329 V330 F350	F231-L295 WeakPolarHBondContact O-CA 3.34Å; V232-L295 HydrophobicContact CG1-CD1 4.14Å; V232-L295 HydrophobicContact CG2-CG 4.24Å; V293-L295 HydrophobicContact CG1-CD1 3.89Å; L295-L314 HydrophobicContact CD2-CD2 4.02Å; L295-A326 HydrophobicContact CD1-CB 3.54Å; L295-L328 PolarHBondContact N-O 3.38Å; L295-V329 HydrophobicContact CB-CG1 4.15Å; L295-V329 HydrophobicContact CB-CG2 4.43Å; L295-V330 PolarHBondContact O-N 3.07Å; L295-F350 HydrophobicContact CD2-CE1 4.21Å; L295-F350 HydrophobicContact CD2-CZ 4.11Å
296	V	98	Very high	91.6	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.006	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	118.1	168.1	-177.1	0	0	0	0	107.5	L55 F66 A230 F231 F294 V330 M332	L55-V296 HydrophobicContact CD1-CG1 3.82Å; L55-V296 HydrophobicContact CD1-CG2 3.93Å; F66-V296 HydrophobicContact CB-CG1 4.3Å; F66-V296 HydrophobicContact CD1-CB 4.07Å; F66-V296 HydrophobicContact CD1-CG1 4.04Å; F66-V296 HydrophobicContact CD1-CG2 4.05Å; F66-V296 HydrophobicContact CE1-CB 4.38Å; F66-V296 HydrophobicContact CE1-CG2 4.17Å; F66-V296 HydrophobicContact CG-CG1 4.34Å; F66-V296 HydrophobicContact CG-CG2 4.31Å; A230-V296 WeakPolarHBondContact CA-O 3.12Å; F231-V296 HydrophobicContact CB-CB 4.48Å; F231-V296 PolarHBondContact N-O 3.47Å; F231-V296 PolarHBondContact O-N 3.1Å; F294-V296 HydrophobicContact CD2-CG2 4.08Å; F294-V296 HydrophobicContact CE2-CG2 3.89Å; V296-V330 HydrophobicContact CG2-CB 4.39Å; V296-V330 HydrophobicContact CG2-CG2 4.43Å; V296-M332 HydrophobicContact CG1-CE 3.96Å
297	L	96.1	Very high	92	Very high	1 Å²	1	36 Å²	36	1%	0.005	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	154	-178.2	70	99.6	0	0	0	111.7	A230 V329 V330 M332 W346	A230-L297 HydrophobicContact CB-CB 3.84Å; L297-V329 HydrophobicContact CD2-CG1 3.67Å; L297-V330 PolarHBondContact N-O 2.98Å; L297-M332 PolarHBondContact O-N 3.25Å; L297-W346 HydrophobicContact CD2-CH2 3.41Å; L297-W346 VanDerWaalsContact CD2-CH2 3.41Å; L297-W346 HydrophobicContact CD2-CZ2 4.42Å; L297-W346 HydrophobicContact CD2-CZ3 3.96Å
298	E	95.6	Very high	92.6	Very high	15 Å²	15	30.7 Å²	30.7	7%	0.07	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	141.7	173.4	-174.3	-177.3	148.8	0	0	108.7	T92 N98 V228 M332	T92-E298 WeakPolarHBondContact CB-OE2 3.42Å; T92-E298 HydrophobicContact CG2-CB 4.39Å; T92-E298 PolarHBondContact OG1-OE2 2.75Å; N98-E298 PolarHBondContact ND2-OE2 2.9Å; V228-E298 HydrophobicContact CG1-CB 3.9Å; V228-E298 WeakPolarHBondContact CG1-O 3.43Å; E298-M332 VanDerWaalsContact CA-O 3.24Å; E298-M332 WeakPolarHBondContact CA-O 3.39Å; E298-M332 HydrophobicContact CB-CB 4.21Å; E298-M332 HydrophobicContact CG-CB 4.22Å; E298-M332 WeakPolarHBondContact CG-O 3.29Å
299	C	95.1	Very high	93	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.007	16%	0.155	C	C	.	.			trans	-137.6	89	174.4	-170	0	0	0	0	107.9	M332 T333 P334 V337 Y343	C299-M332 PolarHBondContact N-O 3.29Å; C299-T333 HydrophobicContact CB-CG2 3.98Å; C299-T333 WeakPolarHBondContact O-CG2 2.99Å; C299-P334 WeakPolarHBondContact O-CD 3.38Å; C299-V337 HydrophobicContact CB-CG1 4.46Å; C299-Y343 HydrophobicContact CB-CE2 4Å
300	P	93.1	Very high	93.4	Very high	35 Å²	35	28 Å²	28	23%	0.227	17%	0.17	C	C	.	.			trans	-79	-22.4	-165.9	30.3	-35.9	0	0	0	113.8	V228 F304	V228-P300 HydrophobicContact CG2-CG 3.97Å; P300-F304 HydrophobicContact CG-CD2 3.79Å; P300-F304 HydrophobicContact CG-CE2 3.49Å; P300-F304 VanDerWaalsContact CG-CE2 3.49Å; P300-F304 HydrophobicContact CG-CZ 3.96Å
301	S	94	Very high	93.9	Very high	36 Å²	36	25.1 Å²	25.1	25%	0.252	15%	0.15	S	C	.	.	S	Bend	trans	-148.6	167.4	177	72.8	0	0	0	0	111.4	D303 F304	S301-D303 PolarHBondContact O-N 3.4Å; S301-D303 PolarHBondContact OG-N 3.18Å; S301-D303 PolarHBondContact OG-OD2 2.89Å; S301-F304 PolarHBondContact O-N 2.85Å; S301-F304 WeakPolarHBondContact OG-CD2 3.43Å
302	E	94	Very high	94.1	Very high	115 Å²	115	32.1 Å²	32.1	54%	0.537	18%	0.18	S	C	.	.	G	3₁₀ helix	trans	-60.9	-23.7	175.9	-65.6	-177.8	-149.4	0	0	113.2	F304 L305 V337 T340	E302-F304 PolarHBondContact O-N 3.17Å; E302-F304 VanDerWaalsContact O-N 3.07Å; E302-L305 HydrophobicContact CB-CD1 4Å; E302-L305 HydrophobicContact CG-CD1 4.13Å; E302-L305 WeakPolarHBondContact O-CB 3.37Å; E302-L305 WeakPolarHBondContact O-CG 3.19Å; E302-L305 PolarHBondContact O-N 3.06Å; E302-V337 HydrophobicContact CG-CG2 4.39Å; E302-T340 HydrophobicContact CG-CG2 4.11Å
303	D	93.1	Very high	93.9	Very high	95 Å²	95	35 Å²	35	51%	0.508	19%	0.193	S	C	.	.	G	3₁₀ helix	trans	-61.6	-21	-179.8	-52.1	-54.2	0	0	0	113.2	A168 K169 S301	A168-D303 WeakPolarHBondContact CA-O 3.34Å; A168-D303 HydrophobicContact CB-CB 3.94Å; K169-D303 PolarHBondContact N-O 2.89Å; K169-D303 VanDerWaalsContact N-O 3.1Å; S301-D303 PolarHBondContact O-N 3.4Å; S301-D303 PolarHBondContact OG-N 3.18Å; S301-D303 PolarHBondContact OG-OD2 2.89Å
304	F	94.3	Very high	93.8	Very high	10 Å²	10	35 Å²	35	4%	0.044	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-86.9	-18.5	178.4	-69.6	-94.4	0	0	0	113	I166 A168 S226 V228 P300 S301 E302 A307 L308	I166-F304 HydrophobicContact CG2-CD1 4.27Å; A168-F304 HydrophobicContact CB-CD1 3.9Å; A168-F304 HydrophobicContact CB-CD2 3.92Å; A168-F304 HydrophobicContact CB-CE1 3.76Å; A168-F304 HydrophobicContact CB-CE2 3.76Å; A168-F304 HydrophobicContact CB-CG 3.99Å; A168-F304 HydrophobicContact CB-CZ 3.69Å; S226-F304 WeakPolarHBondContact O-CE1 3.48Å; V228-F304 HydrophobicContact CB-CD1 4.38Å; V228-F304 HydrophobicContact CB-CE1 4.05Å; V228-F304 HydrophobicContact CG2-CD1 4.05Å; V228-F304 HydrophobicContact CG2-CE1 3.49Å; V228-F304 VanDerWaalsContact CG2-CE1 3.49Å; V228-F304 HydrophobicContact CG2-CZ 3.85Å; P300-F304 HydrophobicContact CG-CD2 3.79Å; P300-F304 HydrophobicContact CG-CE2 3.49Å; P300-F304 VanDerWaalsContact CG-CE2 3.49Å; P300-F304 HydrophobicContact CG-CZ 3.96Å; S301-F304 PolarHBondContact O-N 2.85Å; S301-F304 WeakPolarHBondContact OG-CD2 3.43Å; E302-F304 PolarHBondContact O-N 3.17Å; E302-F304 VanDerWaalsContact O-N 3.07Å; F304-A307 PolarHBondContact O-N 3.22Å; F304-A307 VanDerWaalsContact O-N 3.17Å; F304-L308 WeakPolarHBondContact O-CB 3.3Å; F304-L308 PolarHBondContact O-N 3.32Å
305	L	93.3	Very high	93.5	Very high	3 Å²	3	43 Å²	43	2%	0.016	22%	0.223	C	C	.	.	H	α-helix	trans	-55.6	-47.1	-175.6	-65.1	173.5	0	0	0	112.9	E302 A307 L308 C309 V337 T340 Q342 Y343	E302-L305 HydrophobicContact CB-CD1 4Å; E302-L305 HydrophobicContact CG-CD1 4.13Å; E302-L305 WeakPolarHBondContact O-CB 3.37Å; E302-L305 WeakPolarHBondContact O-CG 3.19Å; E302-L305 PolarHBondContact O-N 3.06Å; L305-A307 VanDerWaalsContact C-N 3.28Å; L305-A307 PolarHBondContact O-N 3.22Å; L305-L308 PolarHBondContact O-N 2.64Å; L305-C309 WeakPolarHBondContact O-CB 3.15Å; L305-C309 PolarHBondContact O-N 3.45Å; L305-C309 PolarHBondContact O-SG 2.97Å; L305-V337 HydrophobicContact CD2-CG1 3.84Å; L305-V337 HydrophobicContact CG-CG1 4.41Å; L305-T340 HydrophobicContact CD1-CG2 4.17Å; L305-T340 WeakPolarHBondContact CD1-OG1 3.44Å; L305-Q342 HydrophobicContact CD1-CB 4.39Å; L305-Y343 HydrophobicContact CD2-CD2 3.53Å; L305-Y343 HydrophobicContact CD2-CG 4.2Å
306	P	92.9	Very high	93.2	Very high	39 Å²	39	48.6 Å²	48.6	25%	0.253	24%	0.244	S	C	.	.	H	α-helix	trans	-62.8	-36.3	-178.5	-23.4	35.8	0	0	0	112.9	K169 S310	K169-P306 HydrophobicContact CD-CB 3.73Å; K169-P306 HydrophobicContact CD-CG 4.15Å; K169-P306 HydrophobicContact CG-CB 4.31Å; P306-S310 WeakPolarHBondContact O-CB 3.42Å; P306-S310 PolarHBondContact O-N 2.8Å; P306-S310 PolarHBondContact O-OG 2.76Å
307	A	93.6	Very high	92.9	Very high	17 Å²	17	49.4 Å²	49.4	14%	0.14	25%	0.247	C	C	.	.	H	α-helix	trans	-75.6	-39.8	179.7	0	0	0	0	0	111.7	I166 F167 F304 L305 S310 N311	I166-A307 HydrophobicContact CG2-CB 3.84Å; F167-A307 WeakPolarHBondContact O-CB 3.43Å; F304-A307 PolarHBondContact O-N 3.22Å; F304-A307 VanDerWaalsContact O-N 3.17Å; L305-A307 VanDerWaalsContact C-N 3.28Å; L305-A307 PolarHBondContact O-N 3.22Å; A307-S310 PolarHBondContact O-OG 3.36Å; A307-N311 WeakPolarHBondContact O-CB 3.23Å; A307-N311 PolarHBondContact O-N 3.11Å; A307-N311 VanDerWaalsContact O-N 3.14Å
308	L	93.6	Very high	92.6	Very high	2 Å²	2	49.6 Å²	49.6	1%	0.01	25%	0.248	C	C	.	.	H	α-helix	trans	-60.9	-50.1	174.1	-178.4	69.1	0	0	0	111	I166 F304 L305 S310 N311 L314 Y343 W346	I166-L308 HydrophobicContact CD1-CD1 3.71Å; F304-L308 WeakPolarHBondContact O-CB 3.3Å; F304-L308 PolarHBondContact O-N 3.32Å; L305-L308 PolarHBondContact O-N 2.64Å; L308-S310 VanDerWaalsContact C-N 3.29Å; L308-S310 PolarHBondContact O-N 2.67Å; L308-N311 WeakPolarHBondContact O-CB 3.48Å; L308-N311 PolarHBondContact O-N 3.34Å; L308-L314 HydrophobicContact CD1-CD1 3.65Å; L308-Y343 HydrophobicContact CD2-CD2 3.89Å; L308-Y343 HydrophobicContact CD2-CE2 3.51Å; L308-W346 HydrophobicContact CD1-CH2 4.37Å; L308-W346 HydrophobicContact CD1-CZ2 4Å; L308-W346 HydrophobicContact CD2-CD2 4.2Å; L308-W346 HydrophobicContact CD2-CE3 4.21Å; L308-W346 HydrophobicContact CD2-CZ3 4.46Å; L308-W346 HydrophobicContact CG-CD2 4.25Å; L308-W346 HydrophobicContact CG-CZ2 4.25Å
309	C	91.1	Very high	92.1	Very high	25 Å²	25	54.7 Å²	54.7	17%	0.169	28%	0.276	C	S	.	.	H	α-helix	trans	-67.9	-25.2	-176.1	-69.4	0	0	0	0	114.2	L305 R349	L305-C309 WeakPolarHBondContact O-CB 3.15Å; L305-C309 PolarHBondContact O-N 3.45Å; L305-C309 PolarHBondContact O-SG 2.97Å; C309-R349 PolarHBondContact O-NH1 3.11Å
310	S	92	Very high	91	Very high	83 Å²	83	58.4 Å²	58.4	58%	0.58	31%	0.314	S	S	*	.	H	α-helix	trans	-98.6	-2.8	178.9	60.6	0	0	0	0	113.9	P306 A307 L308 Q312	P306-S310 WeakPolarHBondContact O-CB 3.42Å; P306-S310 PolarHBondContact O-N 2.8Å; P306-S310 PolarHBondContact O-OG 2.76Å; A307-S310 PolarHBondContact O-OG 3.36Å; L308-S310 VanDerWaalsContact C-N 3.29Å; L308-S310 PolarHBondContact O-N 2.67Å; S310-Q312 PolarHBondContact O-N 2.87Å; S310-Q312 VanDerWaalsContact O-N 3.14Å
311	N	92.4	Very high	90.4	Very high	26 Å²	26	58.2 Å²	58.2	14%	0.139	32%	0.319	C	S	.	.			trans	-66.9	113	-175.8	-169.6	-62.4	0	0	0	111.8	V164 A307 L308 Q313 L314 R315	V164-N311 WeakPolarHBondContact CG1-ND2 3.4Å; A307-N311 WeakPolarHBondContact O-CB 3.23Å; A307-N311 PolarHBondContact O-N 3.11Å; A307-N311 VanDerWaalsContact O-N 3.14Å; L308-N311 WeakPolarHBondContact O-CB 3.48Å; L308-N311 PolarHBondContact O-N 3.34Å; N311-Q313 VanDerWaalsContact C-N 3.33Å; N311-Q313 PolarHBondContact O-N 2.94Å; N311-Q313 WeakPolarHBondContact OD1-CA 3.47Å; N311-Q313 WeakPolarHBondContact OD1-CB 3.35Å; N311-Q313 PolarHBondContact OD1-N 3.07Å; N311-L314 HydrophobicContact CB-CB 4.45Å; N311-L314 HydrophobicContact CB-CD1 4.2Å; N311-L314 HydrophobicContact CB-CG 4.31Å; N311-L314 PolarHBondContact OD1-N 3.16Å; N311-L314 VanDerWaalsContact OD1-N 3.1Å; N311-R315 PolarHBondContact O-N 3.22Å
312	Q	89.4	Confident	89.4	Confident	156 Å²	156	62 Å²	62	73%	0.729	34%	0.34	S	S	*	.	H	α-helix	trans	-70.3	-26.3	-178.1	-66	-173.8	-0.3	0	0	113.6	S310 R316	S310-Q312 PolarHBondContact O-N 2.87Å; S310-Q312 VanDerWaalsContact O-N 3.14Å; Q312-R316 WeakPolarHBondContact O-CG 3.41Å
313	Q	90	Very high	89	Confident	72 Å²	72	60.3 Å²	60.3	34%	0.336	33%	0.332	S	S	.	.	H	α-helix	trans	-71.6	-41.6	179.6	-66.5	-179.6	-38.2	0	0	111.1	V164 N311 R316 F317	V164-Q313 HydrophobicContact CG1-CB 4.2Å; V164-Q313 HydrophobicContact CG2-CB 4.19Å; N311-Q313 VanDerWaalsContact C-N 3.33Å; N311-Q313 PolarHBondContact O-N 2.94Å; N311-Q313 WeakPolarHBondContact OD1-CA 3.47Å; N311-Q313 WeakPolarHBondContact OD1-CB 3.35Å; N311-Q313 PolarHBondContact OD1-N 3.07Å; Q313-R316 PolarHBondContact O-N 3.19Å; Q313-F317 WeakPolarHBondContact O-CD2 3.37Å
314	L	92.2	Very high	88.6	Confident	1 Å²	1	60.4 Å²	60.4	1%	0.005	33%	0.333	C	S	.	.	H	α-helix	trans	-69.3	-37.7	175.9	-61.6	178.7	0	0	0	111.9	V164 I166 V232 L295 L308 N311 R316 F317 W346	V164-L314 HydrophobicContact CB-CD2 4.46Å; V164-L314 HydrophobicContact CG1-CD2 4.17Å; V164-L314 HydrophobicContact CG1-CG 4.12Å; V164-L314 HydrophobicContact CG2-CD2 4.36Å; I166-L314 HydrophobicContact CD1-CD1 4.17Å; V232-L314 HydrophobicContact CG2-CD2 4.07Å; L295-L314 HydrophobicContact CD2-CD2 4.02Å; L308-L314 HydrophobicContact CD1-CD1 3.65Å; N311-L314 HydrophobicContact CB-CB 4.45Å; N311-L314 HydrophobicContact CB-CD1 4.2Å; N311-L314 HydrophobicContact CB-CG 4.31Å; N311-L314 PolarHBondContact OD1-N 3.16Å; N311-L314 VanDerWaalsContact OD1-N 3.1Å; L314-R316 PolarHBondContact O-N 3.22Å; L314-R316 VanDerWaalsContact O-N 3.1Å; L314-F317 PolarHBondContact O-N 3.48Å; L314-F317 VanDerWaalsContact O-N 3.11Å; L314-W346 HydrophobicContact CD1-CZ2 4.2Å
315	R	91.5	Very high	88.4	Confident	169 Å²	169	62.4 Å²	62.4	64%	0.638	35%	0.347	S	S	*	.	H	α-helix	trans	-59.4	-22.8	178.4	-168.1	174.4	-179.4	-179.2	1.2	113.6	N311 F317 Q318	N311-R315 PolarHBondContact O-N 3.22Å; R315-F317 PolarHBondContact O-N 2.64Å; R315-Q318 PolarHBondContact O-N 3.2Å
316	R	91.4	Very high	88.4	Confident	119 Å²	119	62.3 Å²	62.3	45%	0.449	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-25	177.2	-65.9	177.7	-172.8	-176.8	0	113.6	Q312 Q313 L314 G321 T322 E323	Q312-R316 WeakPolarHBondContact O-CG 3.41Å; Q313-R316 PolarHBondContact O-N 3.19Å; L314-R316 PolarHBondContact O-N 3.22Å; L314-R316 VanDerWaalsContact O-N 3.1Å; R316-G321 WeakPolarHBondContact O-CA 3.37Å; R316-T322 PolarHBondContact O-N 3.44Å; R316-E323 HydrophobicContact CB-CG 4.42Å; R316-E323 PolarHBondContact O-N 3.04Å; R316-E323 VanDerWaalsContact O-N 3.1Å
317	F	91.5	Very high	88.6	Confident	17 Å²	17	61.8 Å²	61.8	8%	0.075	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.4	11.7	-176.4	-54.9	-80.3	0	0	0	112.8	V232 V293 Q313 L314 R315 E323 P325 A326	V232-F317 HydrophobicContact CB-CE2 4.42Å; V232-F317 HydrophobicContact CG1-CD1 4.49Å; V232-F317 HydrophobicContact CG1-CD2 4.03Å; V232-F317 HydrophobicContact CG1-CE1 4.12Å; V232-F317 HydrophobicContact CG1-CE2 3.63Å; V232-F317 HydrophobicContact CG1-CG 4.45Å; V232-F317 HydrophobicContact CG1-CZ 3.67Å; V232-F317 HydrophobicContact CG2-CD2 4.42Å; V232-F317 HydrophobicContact CG2-CE2 4.17Å; V293-F317 HydrophobicContact CB-CD1 4.44Å; V293-F317 HydrophobicContact CG1-CD1 3.85Å; V293-F317 HydrophobicContact CG1-CE1 4.09Å; V293-F317 HydrophobicContact CG1-CG 4.44Å; V293-F317 HydrophobicContact CG2-CD1 4.34Å; V293-F317 HydrophobicContact CG2-CE1 4.29Å; Q313-F317 WeakPolarHBondContact O-CD2 3.37Å; L314-F317 PolarHBondContact O-N 3.48Å; L314-F317 VanDerWaalsContact O-N 3.11Å; R315-F317 PolarHBondContact O-N 2.64Å; F317-E323 HydrophobicContact CD1-CB 3.79Å; F317-E323 HydrophobicContact CE1-CB 3.63Å; F317-E323 HydrophobicContact CE1-CG 3.94Å; F317-E323 HydrophobicContact CZ-CB 4.38Å; F317-E323 HydrophobicContact CZ-CG 4.25Å; F317-P325 WeakPolarHBondContact O-CA 3.29Å; F317-A326 HydrophobicContact CB-CB 4.5Å; F317-A326 PolarHBondContact O-N 3.34Å
318	Q	91.4	Very high	88.8	Confident	5 Å²	5	61 Å²	61	2%	0.023	34%	0.336	C	S	.	.	S	Bend	trans	-97.1	176.9	173.8	-70.8	-176.8	-36	0	0	110.2	R315 G321 W346 R349 F350	R315-Q318 PolarHBondContact O-N 3.2Å; Q318-G321 PolarHBondContact O-N 3.39Å; Q318-W346 PolarHBondContact NE2-O 3.09Å; Q318-R349 HydrophobicContact CB-CB 4.34Å; Q318-R349 WeakPolarHBondContact CB-O 3.23Å; Q318-R349 HydrophobicContact CG-CB 4.27Å; Q318-F350 HydrophobicContact CG-CD1 3.95Å; Q318-F350 HydrophobicContact CG-CD2 4.18Å; Q318-F350 HydrophobicContact CG-CE1 3.63Å; Q318-F350 HydrophobicContact CG-CE2 3.91Å; Q318-F350 HydrophobicContact CG-CG 4.21Å; Q318-F350 HydrophobicContact CG-CZ 3.62Å
319	D	83.9	Confident	89	Confident	123 Å²	123	60.9 Å²	60.9	66%	0.658	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	137.7	177.3	-167.8	27.7	0	0	0	111.7	G321 R349 P351	D319-G321 PolarHBondContact O-N 3.34Å; D319-R349 WeakPolarHBondContact CB-O 3.4Å; D319-R349 PolarHBondContact N-O 3.25Å; D319-P351 HydrophobicContact CB-CG 4.16Å
320	G	72.3	Confident	89.4	Confident	79 Å²	79	59.7 Å²	59.7	81%	0.814	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	65	14.2	-172.4	0	0	0	0	0	115.3
321	G	79.6	Confident	89.6	Confident	31 Å²	31	55.7 Å²	55.7	32%	0.32	30%	0.3	S	S	.	.			trans	-69.9	177.9	174	0	0	0	0	0	114.2	R316 Q318 D319	R316-G321 WeakPolarHBondContact O-CA 3.37Å; Q318-G321 PolarHBondContact O-N 3.39Å; D319-G321 PolarHBondContact O-N 3.34Å
322	T	74.2	Confident	89.8	Confident	115 Å²	115	55 Å²	55	71%	0.706	30%	0.296	S	S	*	.	S	Bend	trans	-90.2	-12.1	180	58.9	0	0	0	0	113.7	R316	R316-T322 PolarHBondContact O-N 3.44Å
323	E	85.8	Confident	90.1	Very high	79 Å²	79	47.7 Å²	47.7	37%	0.369	26%	0.262	S	S	.	.	S	Bend	trans	-121.4	168.2	-177.9	-69.1	-84.2	167.9	0	0	110	K234 R316 F317	K234-E323 IonicContact NZ-OE2 2.76Å; K234-E323 PolarHBondContact NZ-OE2 3.41Å; R316-E323 HydrophobicContact CB-CG 4.42Å; R316-E323 PolarHBondContact O-N 3.04Å; R316-E323 VanDerWaalsContact O-N 3.1Å; F317-E323 HydrophobicContact CD1-CB 3.79Å; F317-E323 HydrophobicContact CE1-CB 3.63Å; F317-E323 HydrophobicContact CE1-CG 3.94Å; F317-E323 HydrophobicContact CZ-CB 4.38Å; F317-E323 HydrophobicContact CZ-CG 4.25Å
324	D	84.3	Confident	90.2	Very high	98 Å²	98	45.8 Å²	45.8	52%	0.524	26%	0.256	S	S	.	.	P	Polyproline II helix	trans	-57.1	131.7	172.9	-65.5	-41.1	0	0	0	110.2
325	P	89.5	Confident	90.3	Very high	51 Å²	51	45.9 Å²	45.9	33%	0.331	26%	0.256	S	S	.	.	P	Polyproline II helix	trans	-58.6	150.9	180	-25.6	33.9	0	0	0	113.1	F317 V327 P351	F317-P325 WeakPolarHBondContact O-CA 3.29Å; P325-V327 PolarHBondContact O-N 3.06Å; P325-P351 HydrophobicContact CB-CG 3.63Å; P325-P351 HydrophobicContact CG-CG 3.86Å
326	A	94.6	Very high	90.4	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.008	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	134.4	173.1	0	0	0	0	0	110.8	V293 L295 F317 V329 F350 T354	V293-A326 CarbonylContact O-C 3.06Å; V293-A326 WeakPolarHBondContact O-CA 3.43Å; L295-A326 HydrophobicContact CD1-CB 3.54Å; F317-A326 HydrophobicContact CB-CB 4.5Å; F317-A326 PolarHBondContact O-N 3.34Å; A326-V329 HydrophobicContact CB-CG2 4.11Å; A326-F350 HydrophobicContact CB-CD1 4.19Å; A326-F350 HydrophobicContact CB-CE1 4.02Å; A326-T354 VanDerWaalsContact O-CG2 3.31Å; A326-T354 WeakPolarHBondContact O-CG2 3.34Å; A326-T354 PolarHBondContact O-OG1 2.71Å; A326-T354 VanDerWaalsContact O-OG1 3.09Å
327	V	96.1	Very high	90.5	Very high	28 Å²	28	35.5 Å²	35.5	17%	0.17	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	-25.4	174.5	-54.3	0	0	0	0	112.1	P292 V293 P325 E355 L416 M420	P292-V327 HydrophobicContact CB-CG1 3.96Å; P292-V327 HydrophobicContact CB-CG2 3.84Å; V293-V327 WeakPolarHBondContact O-CG2 3.42Å; V293-V327 PolarHBondContact O-N 2.87Å; P325-V327 PolarHBondContact O-N 3.06Å; V327-E355 PolarHBondContact O-N 2.9Å; V327-L416 HydrophobicContact CG2-CD2 3.47Å; V327-L416 VanDerWaalsContact CG2-CD2 3.47Å; V327-M420 HydrophobicContact CB-SD 4.22Å; V327-M420 HydrophobicContact CG1-CE 4.08Å; V327-M420 HydrophobicContact CG1-SD 4.1Å; V327-M420 HydrophobicContact CG2-SD 4.46Å
328	L	97.8	Very high	90.7	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	131.4	179.6	174.2	69.7	0	0	0	109.6	V41 F294 L295 V330 E355 L357 F414 W422	V41-L328 HydrophobicContact CB-CD2 4.17Å; V41-L328 HydrophobicContact CG1-CD2 4.14Å; V41-L328 HydrophobicContact CG2-CD2 4.15Å; F294-L328 CarbonylContact C-O 3.56Å; F294-L328 WeakPolarHBondContact CA-O 3.29Å; F294-L328 HydrophobicContact CB-CB 3.92Å; F294-L328 HydrophobicContact CB-CD2 4.48Å; F294-L328 HydrophobicContact CB-CG 4.48Å; F294-L328 WeakPolarHBondContact CB-O 3.46Å; L295-L328 PolarHBondContact N-O 3.38Å; L328-V330 HydrophobicContact CD2-CG2 3.97Å; L328-V330 HydrophobicContact CG-CG2 4.03Å; L328-E355 CarbonylContact C-O 3.58Å; L328-E355 VanDerWaalsContact CA-O 3.3Å; L328-E355 WeakPolarHBondContact CA-O 3.46Å; L328-E355 HydrophobicContact CD1-CB 4.07Å; L328-L357 HydrophobicContact CD1-CB 3.98Å; L328-F414 HydrophobicContact CB-CD1 4.25Å; L328-F414 HydrophobicContact CB-CE1 4.11Å; L328-F414 HydrophobicContact CD2-CB 4.23Å; L328-F414 HydrophobicContact CD2-CD1 3.78Å; L328-F414 HydrophobicContact CD2-CE1 4.48Å; L328-F414 HydrophobicContact CD2-CG 4.21Å; L328-F414 HydrophobicContact CG-CD1 4.42Å; L328-W422 HydrophobicContact CD1-CH2 4.11Å; L328-W422 HydrophobicContact CD1-CZ2 4.22Å
329	V	98.1	Very high	90.8	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	122.7	169.1	-173	0	0	0	0	108.7	L295 L297 A326 H331 F350 T354 E355 H356 L357	L295-V329 HydrophobicContact CB-CG1 4.15Å; L295-V329 HydrophobicContact CB-CG2 4.43Å; L297-V329 HydrophobicContact CD2-CG1 3.67Å; A326-V329 HydrophobicContact CB-CG2 4.11Å; V329-H331 VanDerWaalsContact CG1-CE1 3.43Å; V329-H331 WeakPolarHBondContact CG1-CE1 3.07Å; V329-H331 VanDerWaalsContact CG1-NE2 3.35Å; V329-H331 WeakPolarHBondContact CG1-NE2 3.49Å; V329-H331 PolarHBondContact O-CD2 3.33Å; V329-H331 VanDerWaalsContact O-CD2 3.32Å; V329-F350 HydrophobicContact CG2-CD1 3.93Å; V329-F350 HydrophobicContact CG2-CE1 3.7Å; V329-F350 HydrophobicContact CG2-CE2 4.31Å; V329-F350 HydrophobicContact CG2-CG 4.34Å; V329-F350 HydrophobicContact CG2-CZ 3.9Å; V329-T354 HydrophobicContact CG2-CG2 3.83Å; V329-E355 PolarHBondContact N-O 3.09Å; V329-H356 WeakPolarHBondContact O-CA 3.46Å; V329-L357 PolarHBondContact O-N 3.23Å
330	V	98.4	Very high	91.4	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	119.6	177	-168.1	0	0	0	0	110.1	L55 L295 V296 L297 L328 L357 L359	L55-V330 HydrophobicContact CD1-CB 3.94Å; L55-V330 HydrophobicContact CD1-CG1 3.49Å; L55-V330 VanDerWaalsContact CD1-CG1 3.49Å; L55-V330 HydrophobicContact CD1-CG2 4.06Å; L55-V330 HydrophobicContact CD2-CG1 4.1Å; L55-V330 HydrophobicContact CG-CG1 4.31Å; L295-V330 PolarHBondContact O-N 3.07Å; V296-V330 HydrophobicContact CG2-CB 4.39Å; V296-V330 HydrophobicContact CG2-CG2 4.43Å; L297-V330 PolarHBondContact N-O 2.98Å; L328-V330 HydrophobicContact CD2-CG2 3.97Å; L328-V330 HydrophobicContact CG-CG2 4.03Å; V330-L357 CarbonylContact C-O 3.49Å; V330-L357 WeakPolarHBondContact CA-O 3.29Å; V330-L357 HydrophobicContact CG1-CB 4.24Å; V330-L357 HydrophobicContact CG1-CD2 3.96Å; V330-L357 HydrophobicContact CG1-CG 4.16Å; V330-L357 HydrophobicContact CG2-CB 4.25Å; V330-L357 HydrophobicContact CG2-CD2 4.11Å; V330-L359 HydrophobicContact CG1-CD1 3.54Å
331	H	97.6	Very high	92.4	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	112.7	-175.8	-54	-96.5	0	0	0	109.9	V329 Y343 W346 H356 L357 I358 L359	V329-H331 VanDerWaalsContact CG1-CE1 3.43Å; V329-H331 WeakPolarHBondContact CG1-CE1 3.07Å; V329-H331 VanDerWaalsContact CG1-NE2 3.35Å; V329-H331 WeakPolarHBondContact CG1-NE2 3.49Å; V329-H331 PolarHBondContact O-CD2 3.33Å; V329-H331 VanDerWaalsContact O-CD2 3.32Å; H331-Y343 AromaticContact ND1-CE1 3.85Å; H331-Y343 AromaticContact ND1-CZ 3.66Å; H331-Y343 PolarHBondContact ND1-OH 3.23Å; H331-W346 AromaticContact CE1-CZ3 3.81Å; H331-H356 AromaticContact CE1-ND1 3.65Å; H331-H356 AromaticContact NE2-CE1 3.96Å; H331-H356 AromaticContact NE2-CG 3.72Å; H331-H356 AromaticContact NE2-ND1 2.9Å; H331-H356 PolarHBondContact NE2-ND1 3.46Å; H331-L357 PolarHBondContact N-O 2.85Å; H331-I358 HydrophobicContact CB-CG1 4.46Å; H331-L359 PolarHBondContact O-N 2.97Å
332	M	96.7	Very high	93.2	Very high	11 Å²	11	38.5 Å²	38.5	5%	0.054	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	85.3	166.7	-59.2	-176.2	-173.7	0	0	107.4	A53 L55 N67 V296 L297 E298 C299 L359	A53-M332 HydrophobicContact CB-CB 4.46Å; A53-M332 HydrophobicContact CB-CE 4.5Å; A53-M332 HydrophobicContact CB-CG 4.01Å; A53-M332 HydrophobicContact CB-SD 3.89Å; L55-M332 HydrophobicContact CD1-CE 3.56Å; L55-M332 HydrophobicContact CG-CE 3.74Å; N67-M332 PolarHBondContact ND2-SD 3.24Å; V296-M332 HydrophobicContact CG1-CE 3.96Å; L297-M332 PolarHBondContact O-N 3.25Å; E298-M332 VanDerWaalsContact CA-O 3.24Å; E298-M332 WeakPolarHBondContact CA-O 3.39Å; E298-M332 HydrophobicContact CB-CB 4.21Å; E298-M332 HydrophobicContact CG-CB 4.22Å; E298-M332 WeakPolarHBondContact CG-O 3.29Å; C299-M332 PolarHBondContact N-O 3.29Å; M332-L359 HydrophobicContact CE-CD2 4.38Å; M332-L359 HydrophobicContact CG-CB 4.41Å
333	T	94.1	Very high	94.2	Very high	2 Å²	2	33 Å²	33	1%	0.012	18%	0.18	C	C	.	.			trans	-146	127.5	-164.3	-57.8	0	0	0	0	109.9	C299 V337 L338 Y343 N360	C299-T333 HydrophobicContact CB-CG2 3.98Å; C299-T333 WeakPolarHBondContact O-CG2 2.99Å; T333-V337 HydrophobicContact CG2-CB 3.66Å; T333-V337 HydrophobicContact CG2-CG1 3.65Å; T333-L338 HydrophobicContact CG2-CD2 4.49Å; T333-L338 HydrophobicContact CG2-CG 3.99Å; T333-Y343 HydrophobicContact CG2-CE1 4.46Å; T333-Y343 HydrophobicContact CG2-CE2 4.22Å; T333-Y343 PolarHBondContact OG1-OH 3.1Å; T333-Y343 VanDerWaalsContact OG1-OH 3.04Å; T333-N360 WeakPolarHBondContact O-CB 3.37Å; T333-N360 PolarHBondContact O-ND2 2.62Å
334	P	93.9	Very high	94.7	Very high	33 Å²	33	31.3 Å²	31.3	21%	0.214	17%	0.171	C	C	.	.			trans	-56.3	152.8	176.9	-24	34.7	0	0	0	112.2	C299 S336 V337 L338	C299-P334 WeakPolarHBondContact O-CD 3.38Å; P334-S336 VanDerWaalsContact C-N 3.26Å; P334-S336 PolarHBondContact O-N 3.13Å; P334-V337 PolarHBondContact O-N 3.14Å; P334-L338 PolarHBondContact O-N 3.09Å
335	E	93.4	Very high	95.2	Very high	3 Å²	3	32 Å²	32	1%	0.014	17%	0.172	C	C	.	.	H	α-helix	trans	-62.4	-37.8	-177.8	-161.4	80.3	174.9	0	0	111.4	V337 L338 E339 N360 E361 H362 Q398 A399 R407	E335-V337 PolarHBondContact O-N 3.01Å; E335-L338 WeakPolarHBondContact O-CB 3.5Å; E335-L338 PolarHBondContact O-N 2.89Å; E335-E339 HydrophobicContact CG-CG 4.49Å; E335-E339 WeakPolarHBondContact O-CG 3.33Å; E335-E339 PolarHBondContact O-N 3.21Å; E335-N360 PolarHBondContact OE2-ND2 3.48Å; E335-E361 PolarHBondContact N-OE1 3.37Å; E335-H362 VanDerWaalsContact CG-ND1 3.29Å; E335-H362 WeakPolarHBondContact CG-ND1 3.43Å; E335-H362 IonicContact OE1-ND1 3.69Å; E335-Q398 WeakPolarHBondContact OE1-CA 3.2Å; E335-A399 HydrophobicContact CG-CB 4.47Å; E335-A399 WeakPolarHBondContact OE1-CB 3.49Å; E335-A399 PolarHBondContact OE1-N 3.15Å; E335-R407 IonicContact OE1-CZ 3.53Å; E335-R407 IonicContact OE1-NH1 3.83Å; E335-R407 PolarHBondContact OE1-NH1 2.88Å; E335-R407 IonicContact OE1-NH2 2.85Å; E335-R407 PolarHBondContact OE1-NH2 3.01Å; E335-R407 IonicContact OE2-CZ 3.92Å; E335-R407 IonicContact OE2-NH1 2.84Å; E335-R407 PolarHBondContact OE2-NH1 3.42Å; E335-R407 IonicContact OE2-NH2 3.69Å
336	S	93.1	Very high	95.5	Very high	69 Å²	69	29.7 Å²	29.7	48%	0.483	16%	0.156	S	C	.	.	H	α-helix	trans	-56.7	-34.5	178	58.1	0	0	0	0	113.5	P334	P334-S336 VanDerWaalsContact C-N 3.26Å; P334-S336 PolarHBondContact O-N 3.13Å
337	V	94.8	Very high	95.5	Very high	1 Å²	1	29.7 Å²	29.7	1%	0.006	16%	0.156	C	C	.	.	H	α-helix	trans	-78.7	-38.7	177.5	178.5	0	0	0	0	110.8	C299 E302 L305 T333 P334 E335 E339 T340 Y343	C299-V337 HydrophobicContact CB-CG1 4.46Å; E302-V337 HydrophobicContact CG-CG2 4.39Å; L305-V337 HydrophobicContact CD2-CG1 3.84Å; L305-V337 HydrophobicContact CG-CG1 4.41Å; T333-V337 HydrophobicContact CG2-CB 3.66Å; T333-V337 HydrophobicContact CG2-CG1 3.65Å; P334-V337 PolarHBondContact O-N 3.14Å; E335-V337 PolarHBondContact O-N 3.01Å; V337-E339 PolarHBondContact O-N 3.46Å; V337-T340 WeakPolarHBondContact O-CB 3.46Å; V337-T340 PolarHBondContact O-N 3.39Å; V337-T340 PolarHBondContact O-OG1 3.46Å; V337-Y343 HydrophobicContact CG1-CD2 4.19Å; V337-Y343 WeakPolarHBondContact O-CB 3.37Å
338	L	94.2	Very high	95.5	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-62.3	-31	175.6	-76.9	162.9	0	0	0	112.8	T333 P334 E335 T340 Y343 M347 I358 N360 A399	T333-L338 HydrophobicContact CG2-CD2 4.49Å; T333-L338 HydrophobicContact CG2-CG 3.99Å; P334-L338 PolarHBondContact O-N 3.09Å; E335-L338 WeakPolarHBondContact O-CB 3.5Å; E335-L338 PolarHBondContact O-N 2.89Å; L338-T340 PolarHBondContact O-N 3.17Å; L338-Y343 HydrophobicContact CD2-CD1 3.71Å; L338-Y343 HydrophobicContact CD2-CE1 3.33Å; L338-Y343 HydrophobicContact CG-CE1 4.33Å; L338-M347 HydrophobicContact CD2-SD 4.22Å; L338-I358 HydrophobicContact CD1-CG2 3.58Å; L338-N360 WeakPolarHBondContact CD1-ND2 3.47Å; L338-A399 HydrophobicContact CB-CB 4.08Å
339	E	94.2	Very high	95.4	Very high	78 Å²	78	37.1 Å²	37.1	36%	0.364	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-20.5	177.8	-74.4	-172.7	165	0	0	113.4	E335 V337 K344 A399	E335-E339 HydrophobicContact CG-CG 4.49Å; E335-E339 WeakPolarHBondContact O-CG 3.33Å; E335-E339 PolarHBondContact O-N 3.21Å; V337-E339 PolarHBondContact O-N 3.46Å; E339-K344 VanDerWaalsContact O-CE 3.27Å; E339-K344 WeakPolarHBondContact O-CE 3.31Å; E339-K344 PolarHBondContact O-NZ 3.21Å; E339-A399 HydrophobicContact CG-CB 3.64Å
340	T	95.7	Very high	95.2	Very high	24 Å²	24	37.5 Å²	37.5	15%	0.147	19%	0.187	C	C	.	.	S	Bend	trans	-67	138.2	-179.3	68.9	0	0	0	0	112.1	E302 L305 V337 L338 Q342 Y343 K344	E302-T340 HydrophobicContact CG-CG2 4.11Å; L305-T340 HydrophobicContact CD1-CG2 4.17Å; L305-T340 WeakPolarHBondContact CD1-OG1 3.44Å; V337-T340 WeakPolarHBondContact O-CB 3.46Å; V337-T340 PolarHBondContact O-N 3.39Å; V337-T340 PolarHBondContact O-OG1 3.46Å; L338-T340 PolarHBondContact O-N 3.17Å; T340-Q342 VanDerWaalsContact C-N 3.25Å; T340-Q342 PolarHBondContact O-N 2.9Å; T340-Y343 PolarHBondContact O-N 3.15Å; T340-Y343 VanDerWaalsContact O-N 3.15Å; T340-Y343 WeakPolarHBondContact OG1-CB 3.26Å; T340-Y343 PolarHBondContact OG1-N 3.03Å; T340-K344 PolarHBondContact O-N 2.9Å; T340-K344 VanDerWaalsContact O-N 3.16Å
341	D	95.1	Very high	94.9	Very high	114 Å²	114	38.6 Å²	38.6	61%	0.61	19%	0.194	S	C	*	.	H	α-helix	trans	-60.9	-36.9	179.6	-63	-29.4	0	0	0	111.7	Y343 K344 E345	D341-Y343 VanDerWaalsContact C-N 3.3Å; D341-Y343 PolarHBondContact O-N 3.11Å; D341-K344 PolarHBondContact O-N 2.85Å; D341-E345 WeakPolarHBondContact O-CB 3.32Å; D341-E345 WeakPolarHBondContact O-CG 3.19Å; D341-E345 PolarHBondContact O-N 2.94Å
342	Q	95	Very high	94.6	Very high	102 Å²	102	44 Å²	44	48%	0.477	23%	0.231	S	C	.	.	H	α-helix	trans	-59.6	-39.1	177.2	-69.2	-178.5	43.7	0	0	112.8	L305 T340 W346	L305-Q342 HydrophobicContact CD1-CB 4.39Å; T340-Q342 VanDerWaalsContact C-N 3.25Å; T340-Q342 PolarHBondContact O-N 2.9Å; Q342-W346 WeakPolarHBondContact O-CB 3.19Å; Q342-W346 PolarHBondContact O-N 3.45Å; Q342-W346 VanDerWaalsContact O-N 3.12Å
343	Y	95.9	Very high	94.4	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-74.7	-39.6	179.1	-162.7	-92.4	0	0	0	111.4	C299 L305 L308 H331 T333 V337 L338 T340 D341 W346 M347	C299-Y343 HydrophobicContact CB-CE2 4Å; L305-Y343 HydrophobicContact CD2-CD2 3.53Å; L305-Y343 HydrophobicContact CD2-CG 4.2Å; L308-Y343 HydrophobicContact CD2-CD2 3.89Å; L308-Y343 HydrophobicContact CD2-CE2 3.51Å; H331-Y343 AromaticContact ND1-CE1 3.85Å; H331-Y343 AromaticContact ND1-CZ 3.66Å; H331-Y343 PolarHBondContact ND1-OH 3.23Å; T333-Y343 HydrophobicContact CG2-CE1 4.46Å; T333-Y343 HydrophobicContact CG2-CE2 4.22Å; T333-Y343 PolarHBondContact OG1-OH 3.1Å; T333-Y343 VanDerWaalsContact OG1-OH 3.04Å; V337-Y343 HydrophobicContact CG1-CD2 4.19Å; V337-Y343 WeakPolarHBondContact O-CB 3.37Å; L338-Y343 HydrophobicContact CD2-CD1 3.71Å; L338-Y343 HydrophobicContact CD2-CE1 3.33Å; L338-Y343 HydrophobicContact CG-CE1 4.33Å; T340-Y343 PolarHBondContact O-N 3.15Å; T340-Y343 VanDerWaalsContact O-N 3.15Å; T340-Y343 WeakPolarHBondContact OG1-CB 3.26Å; T340-Y343 PolarHBondContact OG1-N 3.03Å; D341-Y343 VanDerWaalsContact C-N 3.3Å; D341-Y343 PolarHBondContact O-N 3.11Å; Y343-W346 HydrophobicContact CE2-CE3 4.43Å; Y343-W346 WeakPolarHBondContact O-CB 3.37Å; Y343-W346 PolarHBondContact O-N 3.47Å; Y343-W346 VanDerWaalsContact O-N 3.17Å; Y343-M347 HydrophobicContact CD1-CG 4.01Å; Y343-M347 HydrophobicContact CD1-SD 3.77Å; Y343-M347 HydrophobicContact CE1-CG 3.92Å; Y343-M347 HydrophobicContact CE1-SD 3.66Å; Y343-M347 WeakPolarHBondContact O-CG 3.39Å; Y343-M347 PolarHBondContact O-N 2.78Å
344	K	95.9	Very high	94.5	Very high	43 Å²	43	47.7 Å²	47.7	19%	0.187	26%	0.259	C	S	.	.	H	α-helix	trans	-59.9	-50.4	174.5	-67.7	171.8	-177.7	155.6	0	111.5	E339 T340 D341 W346 M347 E348 A400 L401	E339-K344 VanDerWaalsContact O-CE 3.27Å; E339-K344 WeakPolarHBondContact O-CE 3.31Å; E339-K344 PolarHBondContact O-NZ 3.21Å; T340-K344 PolarHBondContact O-N 2.9Å; T340-K344 VanDerWaalsContact O-N 3.16Å; D341-K344 PolarHBondContact O-N 2.85Å; K344-W346 PolarHBondContact O-N 2.89Å; K344-M347 WeakPolarHBondContact O-CB 3.47Å; K344-M347 PolarHBondContact O-N 3.16Å; K344-E348 WeakPolarHBondContact O-CG 3.28Å; K344-E348 PolarHBondContact O-N 3.3Å; K344-A400 WeakPolarHBondContact CE-O 3.39Å; K344-L401 HydrophobicContact CG-CD2 4Å
345	E	95.1	Very high	94.6	Very high	113 Å²	113	48.7 Å²	48.7	53%	0.528	26%	0.26	S	S	.	.	H	α-helix	trans	-58.2	-34.4	174.8	-74.2	178.4	-174.8	0	0	111.9	D341 R349	D341-E345 WeakPolarHBondContact O-CB 3.32Å; D341-E345 WeakPolarHBondContact O-CG 3.19Å; D341-E345 PolarHBondContact O-N 2.94Å; E345-R349 WeakPolarHBondContact O-CG 3.19Å
346	W	95.5	Very high	94.8	Very high	2 Å²	2	48.6 Å²	48.6	1%	0.008	26%	0.26	C	S	.	.	H	α-helix	trans	-70	-39.1	176	-179.1	81.3	0	0	0	112.6	L297 L308 L314 Q318 H331 Q342 Y343 K344 E348 R349 F350	L297-W346 HydrophobicContact CD2-CH2 3.41Å; L297-W346 VanDerWaalsContact CD2-CH2 3.41Å; L297-W346 HydrophobicContact CD2-CZ2 4.42Å; L297-W346 HydrophobicContact CD2-CZ3 3.96Å; L308-W346 HydrophobicContact CD1-CH2 4.37Å; L308-W346 HydrophobicContact CD1-CZ2 4Å; L308-W346 HydrophobicContact CD2-CD2 4.2Å; L308-W346 HydrophobicContact CD2-CE3 4.21Å; L308-W346 HydrophobicContact CD2-CZ3 4.46Å; L308-W346 HydrophobicContact CG-CD2 4.25Å; L308-W346 HydrophobicContact CG-CZ2 4.25Å; L314-W346 HydrophobicContact CD1-CZ2 4.2Å; Q318-W346 PolarHBondContact NE2-O 3.09Å; H331-W346 AromaticContact CE1-CZ3 3.81Å; Q342-W346 WeakPolarHBondContact O-CB 3.19Å; Q342-W346 PolarHBondContact O-N 3.45Å; Q342-W346 VanDerWaalsContact O-N 3.12Å; Y343-W346 HydrophobicContact CE2-CE3 4.43Å; Y343-W346 WeakPolarHBondContact O-CB 3.37Å; Y343-W346 PolarHBondContact O-N 3.47Å; Y343-W346 VanDerWaalsContact O-N 3.17Å; K344-W346 PolarHBondContact O-N 2.89Å; W346-E348 VanDerWaalsContact C-N 3.34Å; W346-R349 WeakPolarHBondContact O-CB 3.41Å; W346-R349 PolarHBondContact O-N 3.49Å; W346-F350 HydrophobicContact CE3-CE2 4.41Å; W346-F350 AromaticContact CH2-CE2 3.66Å; W346-F350 HydrophobicContact CH2-CE2 3.66Å; W346-F350 AromaticContact CH2-CZ 3.93Å; W346-F350 HydrophobicContact CH2-CZ 3.93Å; W346-F350 AromaticContact CZ2-CE2 3.83Å; W346-F350 HydrophobicContact CZ2-CE2 3.83Å; W346-F350 HydrophobicContact CZ2-CZ 4.01Å; W346-F350 HydrophobicContact CZ3-CE2 4Å
347	M	95.8	Very high	95	Very high	1 Å²	1	45.4 Å²	45.4	1%	0.005	24%	0.238	C	C	.	.	H	α-helix	trans	-64.8	-38.4	173.7	-68	179.4	77.7	0	0	111.7	L338 Y343 K344 R349 F350 H356 L401 V403	L338-M347 HydrophobicContact CD2-SD 4.22Å; Y343-M347 HydrophobicContact CD1-CG 4.01Å; Y343-M347 HydrophobicContact CD1-SD 3.77Å; Y343-M347 HydrophobicContact CE1-CG 3.92Å; Y343-M347 HydrophobicContact CE1-SD 3.66Å; Y343-M347 WeakPolarHBondContact O-CG 3.39Å; Y343-M347 PolarHBondContact O-N 2.78Å; K344-M347 WeakPolarHBondContact O-CB 3.47Å; K344-M347 PolarHBondContact O-N 3.16Å; M347-R349 PolarHBondContact O-N 3.2Å; M347-R349 VanDerWaalsContact O-N 3.15Å; M347-F350 WeakPolarHBondContact O-CD2 3.44Å; M347-F350 PolarHBondContact O-N 2.95Å; M347-F350 VanDerWaalsContact O-N 3.14Å; M347-H356 HydrophobicContact CE-CB 3.8Å; M347-H356 WeakPolarHBondContact CE-ND1 3.4Å; M347-L401 HydrophobicContact CE-CD1 4.21Å; M347-L401 HydrophobicContact SD-CD1 4.43Å; M347-L401 HydrophobicContact SD-CD2 4.19Å; M347-V403 HydrophobicContact CB-CG1 4.44Å; M347-V403 HydrophobicContact CB-CG2 4.25Å; M347-V403 HydrophobicContact CE-CG2 3.7Å
348	E	95.3	Very high	95.2	Very high	95 Å²	95	45.4 Å²	45.4	44%	0.444	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-11.1	179.5	-71.3	171.4	-178.7	0	0	114.1	K344 W346 F350 H402 V403	K344-E348 WeakPolarHBondContact O-CG 3.28Å; K344-E348 PolarHBondContact O-N 3.3Å; W346-E348 VanDerWaalsContact C-N 3.34Å; E348-F350 PolarHBondContact O-N 3.22Å; E348-H402 IonicContact OE1-CD2 3.87Å; E348-V403 HydrophobicContact CG-CG1 3.89Å
349	R	94.7	Very high	95.3	Very high	88 Å²	88	45.5 Å²	45.5	33%	0.332	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-14.2	172.7	-64.7	172.2	-169.2	-174.8	4	113.1	C309 Q318 D319 E345 W346 M347	C309-R349 PolarHBondContact O-NH1 3.11Å; Q318-R349 HydrophobicContact CB-CB 4.34Å; Q318-R349 WeakPolarHBondContact CB-O 3.23Å; Q318-R349 HydrophobicContact CG-CB 4.27Å; D319-R349 WeakPolarHBondContact CB-O 3.4Å; D319-R349 PolarHBondContact N-O 3.25Å; E345-R349 WeakPolarHBondContact O-CG 3.19Å; W346-R349 WeakPolarHBondContact O-CB 3.41Å; W346-R349 PolarHBondContact O-N 3.49Å; M347-R349 PolarHBondContact O-N 3.2Å; M347-R349 VanDerWaalsContact O-N 3.15Å
350	F	94.9	Very high	95.2	Very high	8 Å²	8	42 Å²	42	4%	0.035	22%	0.222	C	C	.	.	S	Bend	trans	-82.7	145.9	174.3	-69.1	-89.5	0	0	0	110	L295 Q318 A326 V329 W346 M347 E348 T354 H356	L295-F350 HydrophobicContact CD2-CE1 4.21Å; L295-F350 HydrophobicContact CD2-CZ 4.11Å; Q318-F350 HydrophobicContact CG-CD1 3.95Å; Q318-F350 HydrophobicContact CG-CD2 4.18Å; Q318-F350 HydrophobicContact CG-CE1 3.63Å; Q318-F350 HydrophobicContact CG-CE2 3.91Å; Q318-F350 HydrophobicContact CG-CG 4.21Å; Q318-F350 HydrophobicContact CG-CZ 3.62Å; A326-F350 HydrophobicContact CB-CD1 4.19Å; A326-F350 HydrophobicContact CB-CE1 4.02Å; V329-F350 HydrophobicContact CG2-CD1 3.93Å; V329-F350 HydrophobicContact CG2-CE1 3.7Å; V329-F350 HydrophobicContact CG2-CE2 4.31Å; V329-F350 HydrophobicContact CG2-CG 4.34Å; V329-F350 HydrophobicContact CG2-CZ 3.9Å; W346-F350 HydrophobicContact CE3-CE2 4.41Å; W346-F350 AromaticContact CH2-CE2 3.66Å; W346-F350 HydrophobicContact CH2-CE2 3.66Å; W346-F350 AromaticContact CH2-CZ 3.93Å; W346-F350 HydrophobicContact CH2-CZ 3.93Å; W346-F350 AromaticContact CZ2-CE2 3.83Å; W346-F350 HydrophobicContact CZ2-CE2 3.83Å; W346-F350 HydrophobicContact CZ2-CZ 4.01Å; W346-F350 HydrophobicContact CZ3-CE2 4Å; M347-F350 WeakPolarHBondContact O-CD2 3.44Å; M347-F350 PolarHBondContact O-N 2.95Å; M347-F350 VanDerWaalsContact O-N 3.14Å; E348-F350 PolarHBondContact O-N 3.22Å; F350-T354 HydrophobicContact CB-CG2 4.04Å; F350-T354 HydrophobicContact CD1-CG2 4.25Å; F350-T354 HydrophobicContact CG-CG2 4.35Å; F350-H356 AromaticContact CD2-CE1 3.95Å
351	P	92.6	Very high	95	Very high	24 Å²	24	44.6 Å²	44.6	16%	0.156	23%	0.232	C	C	.	.			trans	-57.3	152.4	176.5	-24.7	33.7	0	0	0	111.9	D319 P325 S353 T354	D319-P351 HydrophobicContact CB-CG 4.16Å; P325-P351 HydrophobicContact CB-CG 3.63Å; P325-P351 HydrophobicContact CG-CG 3.86Å; P351-S353 PolarHBondContact O-N 2.97Å; P351-T354 WeakPolarHBondContact CD-OG1 3.28Å; P351-T354 WeakPolarHBondContact O-CB 3.49Å; P351-T354 PolarHBondContact O-N 3.29Å; P351-T354 PolarHBondContact O-OG1 2.96Å
352	S	90.9	Very high	94.6	Very high	112 Å²	112	40.1 Å²	40.1	78%	0.783	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-11.1	178.2	58.9	0	0	0	0	114.7	T354 P404	S352-T354 VanDerWaalsContact C-N 3.31Å; S352-P404 WeakPolarHBondContact O-CG 3.48Å
353	S	91.6	Very high	94.3	Very high	92 Å²	92	35.8 Å²	35.8	64%	0.643	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-6.7	171	59.4	0	0	0	0	113.9	P351	P351-S353 PolarHBondContact O-N 2.97Å
354	T	96	Very high	93.6	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.213	C	C	.	.			trans	-81.4	128	-178.9	-49.6	0	0	0	0	109.7	A326 V329 F350 P351 S352 H356	A326-T354 VanDerWaalsContact O-CG2 3.31Å; A326-T354 WeakPolarHBondContact O-CG2 3.34Å; A326-T354 PolarHBondContact O-OG1 2.71Å; A326-T354 VanDerWaalsContact O-OG1 3.09Å; V329-T354 HydrophobicContact CG2-CG2 3.83Å; F350-T354 HydrophobicContact CB-CG2 4.04Å; F350-T354 HydrophobicContact CD1-CG2 4.25Å; F350-T354 HydrophobicContact CG-CG2 4.35Å; P351-T354 WeakPolarHBondContact CD-OG1 3.28Å; P351-T354 WeakPolarHBondContact O-CB 3.49Å; P351-T354 PolarHBondContact O-N 3.29Å; P351-T354 PolarHBondContact O-OG1 2.96Å; S352-T354 VanDerWaalsContact C-N 3.31Å; T354-H356 PolarHBondContact O-CD2 3.42Å
355	E	97.3	Very high	93.1	Very high	53 Å²	53	38.3 Å²	38.3	25%	0.248	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	137.1	172.6	-67	-71.1	151.9	0	0	110.2	V327 L328 V329 F414 W422	V327-E355 PolarHBondContact O-N 2.9Å; L328-E355 CarbonylContact C-O 3.58Å; L328-E355 VanDerWaalsContact CA-O 3.3Å; L328-E355 WeakPolarHBondContact CA-O 3.46Å; L328-E355 HydrophobicContact CD1-CB 4.07Å; V329-E355 PolarHBondContact N-O 3.09Å; E355-F414 HydrophobicContact CB-CE2 4.4Å; E355-F414 HydrophobicContact CB-CZ 4.43Å; E355-F414 HydrophobicContact CG-CE2 3.97Å; E355-F414 HydrophobicContact CG-CZ 4.09Å; E355-W422 HydrophobicContact CB-CZ2 4.13Å; E355-W422 PolarHBondContact OE2-NE1 3.22Å
356	H	97.6	Very high	92.6	Very high	1 Å²	1	35 Å²	35	1%	0.005	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	116.6	177.4	-65.6	-97	0	0	0	111	V329 H331 M347 F350 T354 P404 N405 V406	V329-H356 WeakPolarHBondContact O-CA 3.46Å; H331-H356 AromaticContact CE1-ND1 3.65Å; H331-H356 AromaticContact NE2-CE1 3.96Å; H331-H356 AromaticContact NE2-CG 3.72Å; H331-H356 AromaticContact NE2-ND1 2.9Å; H331-H356 PolarHBondContact NE2-ND1 3.46Å; M347-H356 HydrophobicContact CE-CB 3.8Å; M347-H356 WeakPolarHBondContact CE-ND1 3.4Å; F350-H356 AromaticContact CD2-CE1 3.95Å; T354-H356 PolarHBondContact O-CD2 3.42Å; H356-P404 WeakPolarHBondContact CB-O 3.33Å; H356-P404 PolarHBondContact CD2-O 3.47Å; H356-P404 VanDerWaalsContact CD2-O 3.3Å; H356-P404 PolarHBondContact N-O 3.39Å; H356-N405 HydrophobicContact CB-CB 3.95Å; H356-N405 CarbonylContact O-C 3.6Å; H356-N405 WeakPolarHBondContact O-CA 3.38Å; H356-V406 PolarHBondContact O-N 2.92Å
357	L	97.9	Very high	92.2	Very high	3 Å²	3	35 Å²	35	2%	0.016	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	123.3	177.2	179.4	61.8	0	0	0	110.5	V43 L55 L328 V329 V330 H331 L359 V406 A408 L412 W422	V43-L357 HydrophobicContact CG2-CD1 4.44Å; V43-L357 HydrophobicContact CG2-CD2 3.92Å; L55-L357 HydrophobicContact CD2-CD2 4.21Å; L328-L357 HydrophobicContact CD1-CB 3.98Å; V329-L357 PolarHBondContact O-N 3.23Å; V330-L357 CarbonylContact C-O 3.49Å; V330-L357 WeakPolarHBondContact CA-O 3.29Å; V330-L357 HydrophobicContact CG1-CB 4.24Å; V330-L357 HydrophobicContact CG1-CD2 3.96Å; V330-L357 HydrophobicContact CG1-CG 4.16Å; V330-L357 HydrophobicContact CG2-CB 4.25Å; V330-L357 HydrophobicContact CG2-CD2 4.11Å; H331-L357 PolarHBondContact N-O 2.85Å; L357-L359 HydrophobicContact CD1-CD1 4.39Å; L357-L359 HydrophobicContact CD2-CD1 3.95Å; L357-L359 HydrophobicContact CG-CD1 3.67Å; L357-V406 WeakPolarHBondContact CA-O 3.42Å; L357-A408 HydrophobicContact CD1-CB 4.12Å; L357-L412 HydrophobicContact CD1-CD2 3.97Å; L357-W422 HydrophobicContact CB-CH2 4.03Å; L357-W422 HydrophobicContact CD1-CH2 3.86Å; L357-W422 HydrophobicContact CD1-CZ3 4.19Å; L357-W422 HydrophobicContact CD2-CH2 4.31Å; L357-W422 HydrophobicContact CG-CH2 4.26Å
358	I	97.3	Very high	91.8	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	122.5	-174.7	-57.5	162.5	0	0	0	110.8	H331 L338 L401 N405 V406 A408	H331-I358 HydrophobicContact CB-CG1 4.46Å; L338-I358 HydrophobicContact CD1-CG2 3.58Å; I358-L401 HydrophobicContact CD1-CD1 3.28Å; I358-N405 HydrophobicContact CD1-CB 4.04Å; I358-V406 PolarHBondContact N-O 3.32Å; I358-A408 VanDerWaalsContact O-CB 3.27Å; I358-A408 WeakPolarHBondContact O-CB 3.45Å; I358-A408 PolarHBondContact O-N 3.5Å
359	L	96.2	Very high	91.6	Very high	3 Å²	3	31.9 Å²	31.9	2%	0.016	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	110.9	177	-73.8	73.8	0	0	0	109.2	G45 A46 A53 L55 V330 H331 M332 L357 A408	G45-L359 WeakPolarHBondContact O-CD2 3Å; A46-L359 CarbonylContact O-C 3.57Å; A46-L359 VanDerWaalsContact O-CA 3.26Å; A46-L359 WeakPolarHBondContact O-CA 3.39Å; A46-L359 WeakPolarHBondContact O-CB 3.3Å; A53-L359 HydrophobicContact CB-CB 3.94Å; A53-L359 HydrophobicContact CB-CD2 3.89Å; L55-L359 HydrophobicContact CD2-CD1 4.31Å; L55-L359 HydrophobicContact CD2-CD2 3.92Å; L55-L359 HydrophobicContact CG-CD2 4.33Å; V330-L359 HydrophobicContact CG1-CD1 3.54Å; H331-L359 PolarHBondContact O-N 2.97Å; M332-L359 HydrophobicContact CE-CD2 4.38Å; M332-L359 HydrophobicContact CG-CB 4.41Å; L357-L359 HydrophobicContact CD1-CD1 4.39Å; L357-L359 HydrophobicContact CD2-CD1 3.95Å; L357-L359 HydrophobicContact CG-CD1 3.67Å; L359-A408 HydrophobicContact CB-CB 4.4Å; L359-A408 HydrophobicContact CD1-CB 3.82Å; L359-A408 HydrophobicContact CG-CB 3.59Å
360	N	93.8	Very high	91.4	Very high	5 Å²	5	31.2 Å²	31.2	3%	0.027	18%	0.183	C	C	.	.	S	Bend	trans	-164.4	-178.2	-179.8	72.1	8.7	0	0	0	113.9	A46 G47 S48 T333 E335 L338 H362 V363	A46-N360 PolarHBondContact O-N 3.43Å; G47-N360 VanDerWaalsContact C-C 3.47Å; G47-N360 CarbonylContact C-O 3.47Å; G47-N360 CarbonylContact O-C 3.57Å; S48-N360 PolarHBondContact N-O 3.23Å; T333-N360 WeakPolarHBondContact O-CB 3.37Å; T333-N360 PolarHBondContact O-ND2 2.62Å; E335-N360 PolarHBondContact OE2-ND2 3.48Å; L338-N360 WeakPolarHBondContact CD1-ND2 3.47Å; N360-H362 PolarHBondContact O-N 3.47Å; N360-H362 PolarHBondContact OD1-N 3.44Å; N360-V363 VanDerWaalsContact O-CB 3.29Å; N360-V363 WeakPolarHBondContact O-CB 3.37Å; N360-V363 WeakPolarHBondContact O-CG2 3.43Å; N360-V363 PolarHBondContact O-N 3.09Å; N360-V363 VanDerWaalsContact O-N 3.08Å
361	E	89.9	Confident	91.1	Very high	77 Å²	77	31.1 Å²	31.1	36%	0.36	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-17.5	-171.8	67.5	-79.2	-175	0	0	114.7	G47 E335 V363	G47-E361 WeakPolarHBondContact O-CA 3.43Å; G47-E361 PolarHBondContact O-N 3.36Å; G47-E361 VanDerWaalsContact O-N 3.14Å; E335-E361 PolarHBondContact N-OE1 3.37Å; E361-V363 VanDerWaalsContact C-N 3.34Å
362	H	88.4	Confident	91.1	Very high	21 Å²	21	31.4 Å²	31.4	10%	0.097	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85	-7.5	176.4	-80.6	-158.6	0	0	0	113.3	E335 N360 A394 Q398	E335-H362 VanDerWaalsContact CG-ND1 3.29Å; E335-H362 WeakPolarHBondContact CG-ND1 3.43Å; E335-H362 IonicContact OE1-ND1 3.69Å; N360-H362 PolarHBondContact O-N 3.47Å; N360-H362 PolarHBondContact OD1-N 3.44Å; H362-A394 HydrophobicContact CB-CB 4.37Å; H362-A394 WeakPolarHBondContact CD2-CB 3.24Å; H362-A394 WeakPolarHBondContact NE2-CB 3.36Å; H362-Q398 HydrophobicContact CB-CG 4.44Å
363	V	86.9	Confident	91.2	Very high	10 Å²	10	29 Å²	29	6%	0.061	16%	0.158	C	C	.	.			trans	-70.3	130.1	172.8	172.3	0	0	0	0	110.7	A46 S48 N360 E361 T365 R407 A408	A46-V363 HydrophobicContact CB-CG1 3.74Å; S48-V363 VanDerWaalsContact CB-O 3.27Å; S48-V363 WeakPolarHBondContact CB-O 3.33Å; N360-V363 VanDerWaalsContact O-CB 3.29Å; N360-V363 WeakPolarHBondContact O-CB 3.37Å; N360-V363 WeakPolarHBondContact O-CG2 3.43Å; N360-V363 PolarHBondContact O-N 3.09Å; N360-V363 VanDerWaalsContact O-N 3.08Å; E361-V363 VanDerWaalsContact C-N 3.34Å; V363-T365 HydrophobicContact CG1-CG2 4.07Å; V363-R407 HydrophobicContact CG2-CB 4.43Å; V363-A408 WeakPolarHBondContact CG1-O 3.42Å; V363-A408 HydrophobicContact CG2-CB 4.45Å
364	S	81.2	Confident	91.2	Very high	74 Å²	74	26.1 Å²	26.1	52%	0.517	13%	0.134	S	C	.	.			trans	-115.6	100.9	172.8	170.5	0	0	0	0	110.1
365	T	85.8	Confident	91.2	Very high	23 Å²	23	26.3 Å²	26.3	14%	0.141	14%	0.135	C	C	.	.			trans	-141.4	152	175.4	-169.2	0	0	0	0	110	A46 V363 H367 C410	A46-T365 HydrophobicContact CB-CG2 3.55Å; V363-T365 HydrophobicContact CG1-CG2 4.07Å; T365-H367 WeakPolarHBondContact CG2-CE1 3.38Å; T365-H367 WeakPolarHBondContact CG2-NE2 3.42Å; T365-C410 HydrophobicContact CG2-CB 4.08Å; T365-C410 PolarHBondContact OG1-N 2.74Å; T365-C410 VanDerWaalsContact OG1-N 3.08Å
366	V	86.1	Confident	91.1	Very high	43 Å²	43	24.2 Å²	24.2	26%	0.261	13%	0.126	S	C	.	.			trans	-94.8	117.8	179.5	178.6	0	0	0	0	108.9	V369 P428 C430	V366-V369 HydrophobicContact CG1-CG2 4.34Å; V366-P428 VanDerWaalsContact O-CG 3.24Å; V366-P428 WeakPolarHBondContact O-CG 3.39Å; V366-C430 HydrophobicContact CB-CB 4.23Å; V366-C430 HydrophobicContact CG1-CB 4.11Å; V366-C430 HydrophobicContact CG2-CB 3.95Å
367	H	85.8	Confident	90.9	Very high	2 Å²	2	24.9 Å²	24.9	1%	0.009	13%	0.129	C	C	.	.	S	Bend	trans	-93.8	-34.9	176.8	-51.9	80.7	0	0	0	113.3	A46 S48 S51 L75 H79 T365 C410	A46-H367 WeakPolarHBondContact CB-NE2 3.39Å; A46-H367 PolarHBondContact N-NE2 3.01Å; S48-H367 PolarHBondContact OG-CE1 2.8Å; S51-H367 WeakPolarHBondContact CB-CE1 3.46Å; S51-H367 PolarHBondContact OG-CD2 2.76Å; S51-H367 PolarHBondContact OG-NE2 3.41Å; L75-H367 HydrophobicContact CD1-CB 4.12Å; L75-H367 HydrophobicContact CD2-CB 3.45Å; L75-H367 VanDerWaalsContact CD2-CB 3.45Å; L75-H367 HydrophobicContact CG-CB 4.42Å; H79-H367 PolarHBondContact CE1-O 2.96Å; H79-H367 PolarHBondContact NE2-O 3.24Å; T365-H367 WeakPolarHBondContact CG2-CE1 3.38Å; T365-H367 WeakPolarHBondContact CG2-NE2 3.42Å; H367-C410 VanDerWaalsContact CD2-SG 3.56Å
368	N	88.3	Confident	90.8	Very high	4 Å²	4	24.8 Å²	24.8	2%	0.021	13%	0.129	C	C	.	.			trans	-107.9	64.2	-171.7	-67.9	108.7	0	0	0	112.9	R370 S371 H372 R514	N368-R370 VanDerWaalsContact C-N 3.29Å; N368-R370 PolarHBondContact O-N 2.74Å; N368-S371 WeakPolarHBondContact O-CB 3.23Å; N368-S371 PolarHBondContact O-N 2.86Å; N368-H372 PolarHBondContact O-CD2 2.66Å; N368-H372 PolarHBondContact O-N 2.81Å; N368-R514 PolarHBondContact OD1-NH1 2.92Å; N368-R514 PolarHBondContact OD1-NH2 3.17Å
369	V	90.6	Very high	90.7	Very high	26 Å²	26	26.2 Å²	26.2	16%	0.158	14%	0.137	C	C	.	.	H	α-helix	trans	-53.6	-42.3	-176	-174.2	0	0	0	0	112.6	E78 V366 S371 H372 K373 P428 F435	E78-V369 PolarHBondContact OE1-N 2.87Å; V366-V369 HydrophobicContact CG1-CG2 4.34Å; V369-S371 VanDerWaalsContact C-N 3.28Å; V369-S371 PolarHBondContact O-N 3.45Å; V369-H372 WeakPolarHBondContact O-CB 3.3Å; V369-H372 PolarHBondContact O-N 3.06Å; V369-H372 VanDerWaalsContact O-N 3.14Å; V369-K373 PolarHBondContact O-N 2.79Å; V369-P428 HydrophobicContact CG2-CB 3.39Å; V369-P428 HydrophobicContact CG2-CG 4.21Å; V369-F435 HydrophobicContact CG1-CE1 4.45Å; V369-F435 HydrophobicContact CG1-CZ 3.81Å
370	R	89.6	Confident	90.6	Very high	75 Å²	75	27.6 Å²	27.6	28%	0.283	14%	0.143	S	C	.	.	H	α-helix	trans	-64.7	-32.2	179.8	-72.8	-178.6	-174.8	104.4	7.3	113.6	E78 N368 K373 I374	E78-R370 VanDerWaalsContact CD-NH1 3.32Å; E78-R370 PolarHBondContact O-NH1 3.11Å; E78-R370 WeakPolarHBondContact OE1-CB 3.33Å; E78-R370 WeakPolarHBondContact OE1-CG 3.35Å; E78-R370 PolarHBondContact OE1-N 2.97Å; E78-R370 IonicContact OE1-NH1 3.79Å; E78-R370 WeakPolarHBondContact OE2-CD 3.39Å; E78-R370 IonicContact OE2-CZ 3.71Å; E78-R370 IonicContact OE2-NE 2.72Å; E78-R370 IonicContact OE2-NH1 3.64Å; E78-R370 PolarHBondContact OE2-NH1 3Å; N368-R370 VanDerWaalsContact C-N 3.29Å; N368-R370 PolarHBondContact O-N 2.74Å; R370-K373 PolarHBondContact O-N 2.83Å; R370-I374 WeakPolarHBondContact O-CG1 3.33Å; R370-I374 PolarHBondContact O-N 2.94Å
371	S	90.4	Very high	90.6	Very high	5 Å²	5	27.5 Å²	27.5	4%	0.035	14%	0.143	C	C	.	.	H	α-helix	trans	-66.5	-41	174.5	-162.6	0	0	0	0	110.8	N368 V369 Q375	N368-S371 WeakPolarHBondContact O-CB 3.23Å; N368-S371 PolarHBondContact O-N 2.86Å; V369-S371 VanDerWaalsContact C-N 3.28Å; V369-S371 PolarHBondContact O-N 3.45Å; S371-Q375 VanDerWaalsContact O-CB 3.3Å; S371-Q375 WeakPolarHBondContact O-CB 3.3Å; S371-Q375 PolarHBondContact O-N 2.92Å
372	H	92	Very high	90.8	Very high	30 Å²	30	25.2 Å²	25.2	14%	0.139	13%	0.132	C	C	.	.	H	α-helix	trans	-64.7	-46.5	174	-76.6	-92	0	0	0	111.7	N368 V369 Q375 T376 F435	N368-H372 PolarHBondContact O-CD2 2.66Å; N368-H372 PolarHBondContact O-N 2.81Å; V369-H372 WeakPolarHBondContact O-CB 3.3Å; V369-H372 PolarHBondContact O-N 3.06Å; V369-H372 VanDerWaalsContact O-N 3.14Å; H372-Q375 PolarHBondContact O-N 3.42Å; H372-T376 WeakPolarHBondContact O-CB 3.4Å; H372-T376 PolarHBondContact O-N 3.38Å; H372-T376 PolarHBondContact O-OG1 2.8Å; H372-T376 VanDerWaalsContact O-OG1 3.06Å; H372-F435 HydrophobicContact CB-CE2 4.36Å
373	K	92.9	Very high	91	Very high	63 Å²	63	27.8 Å²	27.8	27%	0.274	15%	0.151	S	C	.	.	H	α-helix	trans	-54.4	-56.8	177	174.4	170.6	171	161.6	0	111.7	V369 R370 Q375 T376 Q377 F435 E438	V369-K373 PolarHBondContact O-N 2.79Å; R370-K373 PolarHBondContact O-N 2.83Å; K373-Q375 VanDerWaalsContact C-N 3.33Å; K373-Q375 PolarHBondContact O-N 3.34Å; K373-T376 PolarHBondContact O-N 3.46Å; K373-Q377 VanDerWaalsContact O-CG 3.3Å; K373-Q377 WeakPolarHBondContact O-CG 3.25Å; K373-Q377 PolarHBondContact O-N 3.24Å; K373-F435 HydrophobicContact CB-CD1 3.86Å; K373-F435 HydrophobicContact CB-CD2 4.03Å; K373-F435 HydrophobicContact CB-CE1 3.96Å; K373-F435 HydrophobicContact CB-CE2 4.11Å; K373-F435 HydrophobicContact CB-CG 3.92Å; K373-F435 HydrophobicContact CB-CZ 4.09Å; K373-F435 HydrophobicContact CD-CD1 3.97Å; K373-F435 HydrophobicContact CD-CE1 4.28Å; K373-F435 HydrophobicContact CG-CB 4.28Å; K373-F435 HydrophobicContact CG-CD1 3.79Å; K373-F435 HydrophobicContact CG-CE1 4.29Å; K373-F435 HydrophobicContact CG-CG 3.97Å; K373-E438 WeakPolarHBondContact CE-OE2 3.25Å; K373-E438 IonicContact NZ-OE1 3.98Å; K373-E438 PolarHBondContact NZ-OE1 2.83Å; K373-E438 VanDerWaalsContact NZ-OE1 3.09Å; K373-E438 IonicContact NZ-OE2 3.27Å; K373-E438 PolarHBondContact NZ-OE2 3.13Å
374	I	92.1	Very high	91.1	Very high	30 Å²	30	30.6 Å²	30.6	15%	0.154	16%	0.163	C	C	.	.	H	α-helix	trans	-60.7	-44	-178.7	-69.5	172.1	0	0	0	110.7	R370 T376 Q377 L378 T482 F759	R370-I374 WeakPolarHBondContact O-CG1 3.33Å; R370-I374 PolarHBondContact O-N 2.94Å; I374-T376 VanDerWaalsContact C-N 3.33Å; I374-T376 PolarHBondContact O-N 2.88Å; I374-Q377 PolarHBondContact O-N 3.43Å; I374-L378 HydrophobicContact CG2-CD1 3.68Å; I374-L378 HydrophobicContact CG2-CG 4.1Å; I374-L378 WeakPolarHBondContact O-CB 3.4Å; I374-L378 VanDerWaalsContact O-CG 3.29Å; I374-L378 WeakPolarHBondContact O-CG 3.39Å; I374-L378 PolarHBondContact O-N 2.81Å; I374-T482 HydrophobicContact CD1-CG2 3.28Å; I374-F759 HydrophobicContact CG2-CZ 4.36Å
375	Q	94.6	Very high	91.7	Very high	4 Å²	4	27.1 Å²	27.1	2%	0.019	14%	0.138	C	C	.	.	H	α-helix	trans	-64.4	-38	179.8	-166.8	67.9	6.6	0	0	112.5	S371 H372 K373 N379 P387 L389 D736	S371-Q375 VanDerWaalsContact O-CB 3.3Å; S371-Q375 WeakPolarHBondContact O-CB 3.3Å; S371-Q375 PolarHBondContact O-N 2.92Å; H372-Q375 PolarHBondContact O-N 3.42Å; K373-Q375 VanDerWaalsContact C-N 3.33Å; K373-Q375 PolarHBondContact O-N 3.34Å; Q375-N379 VanDerWaalsContact O-CB 3.25Å; Q375-N379 WeakPolarHBondContact O-CB 3.45Å; Q375-N379 PolarHBondContact O-N 2.79Å; Q375-P387 VanDerWaalsContact CG-O 3.25Å; Q375-P387 WeakPolarHBondContact CG-O 3.31Å; Q375-P387 PolarHBondContact NE2-O 3.19Å; Q375-L389 HydrophobicContact CB-CD1 4.21Å; Q375-L389 HydrophobicContact CB-CD2 4.25Å; Q375-L389 HydrophobicContact CB-CG 3.9Å; Q375-L389 HydrophobicContact CG-CD2 3.77Å; Q375-L389 HydrophobicContact CG-CG 3.83Å; Q375-D736 PolarHBondContact OE1-O 3.47Å
376	T	95.1	Very high	92.1	Very high	10 Å²	10	26 Å²	26	6%	0.061	13%	0.132	C	C	.	.	H	α-helix	trans	-62.1	-43.8	174.3	-67.8	0	0	0	0	111.3	H372 K373 I374 N379 M380 T432 F435 V436	H372-T376 WeakPolarHBondContact O-CB 3.4Å; H372-T376 PolarHBondContact O-N 3.38Å; H372-T376 PolarHBondContact O-OG1 2.8Å; H372-T376 VanDerWaalsContact O-OG1 3.06Å; K373-T376 PolarHBondContact O-N 3.46Å; I374-T376 VanDerWaalsContact C-N 3.33Å; I374-T376 PolarHBondContact O-N 2.88Å; T376-N379 WeakPolarHBondContact O-CB 3.34Å; T376-N379 PolarHBondContact O-N 3.12Å; T376-M380 PolarHBondContact O-N 3.05Å; T376-T432 HydrophobicContact CG2-CG2 3.59Å; T376-F435 HydrophobicContact CG2-CB 3.99Å; T376-V436 HydrophobicContact CG2-CG2 3.72Å
377	Q	94.7	Very high	92.6	Very high	15 Å²	15	25.6 Å²	25.6	7%	0.07	13%	0.13	C	C	.	.	H	α-helix	trans	-69.1	-40.6	179.6	-63	177.3	-37.3	0	0	111.9	K373 I374 N379 M380 F435 A439 L758	K373-Q377 VanDerWaalsContact O-CG 3.3Å; K373-Q377 WeakPolarHBondContact O-CG 3.25Å; K373-Q377 PolarHBondContact O-N 3.24Å; I374-Q377 PolarHBondContact O-N 3.43Å; Q377-N379 VanDerWaalsContact C-N 3.32Å; Q377-N379 PolarHBondContact O-N 3.33Å; Q377-M380 WeakPolarHBondContact O-CB 3.49Å; Q377-M380 PolarHBondContact O-N 2.84Å; Q377-F435 PolarHBondContact NE2-O 3.03Å; Q377-A439 HydrophobicContact CB-CB 4.29Å; Q377-A439 HydrophobicContact CG-CB 3.79Å; Q377-L758 HydrophobicContact CB-CD1 3.89Å; Q377-L758 HydrophobicContact CB-CD2 3.96Å; Q377-L758 HydrophobicContact CG-CD1 4.45Å
378	L	94.4	Very high	93	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-64.4	-35.8	172.8	-69.9	174.7	0	0	0	112.2	I374 M380 I381 H382 F386 F735 L755 L758 F759	I374-L378 HydrophobicContact CG2-CD1 3.68Å; I374-L378 HydrophobicContact CG2-CG 4.1Å; I374-L378 WeakPolarHBondContact O-CB 3.4Å; I374-L378 VanDerWaalsContact O-CG 3.29Å; I374-L378 WeakPolarHBondContact O-CG 3.39Å; I374-L378 PolarHBondContact O-N 2.81Å; L378-M380 PolarHBondContact O-N 2.82Å; L378-I381 HydrophobicContact CD2-CD1 4.28Å; L378-I381 WeakPolarHBondContact O-CB 3.28Å; L378-I381 PolarHBondContact O-N 3.34Å; L378-H382 PolarHBondContact O-N 2.84Å; L378-F386 HydrophobicContact CB-CB 3.78Å; L378-F386 HydrophobicContact CB-CD1 3.86Å; L378-F386 HydrophobicContact CB-CD2 4Å; L378-F386 HydrophobicContact CB-CE1 4.43Å; L378-F386 HydrophobicContact CB-CG 3.62Å; L378-F386 HydrophobicContact CD1-CD1 3.96Å; L378-F386 HydrophobicContact CD1-CE1 4.11Å; L378-F386 HydrophobicContact CD2-CE1 4.39Å; L378-F386 HydrophobicContact CD2-CZ 4.33Å; L378-F386 HydrophobicContact CG-CD1 4.39Å; L378-F386 VanDerWaalsContact O-CD2 3.26Å; L378-F386 WeakPolarHBondContact O-CD2 3.34Å; L378-F735 HydrophobicContact CD1-CB 4.06Å; L378-F735 HydrophobicContact CD1-CD1 3.97Å; L378-F735 HydrophobicContact CD1-CG 4.03Å; L378-L755 HydrophobicContact CD2-CD2 3.43Å; L378-L755 VanDerWaalsContact CD2-CD2 3.43Å; L378-L758 HydrophobicContact CD2-CD2 4.02Å; L378-L758 HydrophobicContact CG-CD2 4.5Å; L378-F759 HydrophobicContact CD2-CE2 4.19Å; L378-F759 HydrophobicContact CD2-CZ 4.38Å
379	N	96	Very high	93.2	Very high	31 Å²	31	30.3 Å²	30.3	17%	0.166	16%	0.155	C	C	.	.	H	α-helix	trans	-60.4	-34.3	175.6	-177.2	-96.8	0	0	0	112.2	Q375 T376 Q377 I381 H382 P383 F386 L388	Q375-N379 VanDerWaalsContact O-CB 3.25Å; Q375-N379 WeakPolarHBondContact O-CB 3.45Å; Q375-N379 PolarHBondContact O-N 2.79Å; T376-N379 WeakPolarHBondContact O-CB 3.34Å; T376-N379 PolarHBondContact O-N 3.12Å; Q377-N379 VanDerWaalsContact C-N 3.32Å; Q377-N379 PolarHBondContact O-N 3.33Å; N379-I381 PolarHBondContact O-N 3.34Å; N379-H382 CarbonylContact O-C 3.53Å; N379-H382 PolarHBondContact O-N 3.36Å; N379-P383 WeakPolarHBondContact ND2-CA 3.32Å; N379-P383 VanDerWaalsContact O-CD 3.28Å; N379-P383 WeakPolarHBondContact O-CD 3.39Å; N379-P383 WeakPolarHBondContact O-CG 3.36Å; N379-F386 WeakPolarHBondContact CA-O 3.35Å; N379-F386 WeakPolarHBondContact CB-O 3.48Å; N379-F386 PolarHBondContact ND2-O 2.81Å; N379-L388 HydrophobicContact CB-CD2 3.65Å; N379-L388 HydrophobicContact CB-CG 4.28Å
380	M	94.8	Very high	93.1	Very high	31 Å²	31	36.4 Å²	36.4	15%	0.153	18%	0.175	C	C	.	.	H	α-helix	trans	-60.1	-35.3	174.9	-62.7	173.9	66.6	0	0	112	T376 Q377 L378 V436 A439 F445 L446 V449	T376-M380 PolarHBondContact O-N 3.05Å; Q377-M380 WeakPolarHBondContact O-CB 3.49Å; Q377-M380 PolarHBondContact O-N 2.84Å; L378-M380 PolarHBondContact O-N 2.82Å; M380-V436 HydrophobicContact CE-CG1 3.94Å; M380-V436 HydrophobicContact CG-CG2 4.49Å; M380-V436 HydrophobicContact SD-CB 4.2Å; M380-V436 HydrophobicContact SD-CG1 4.03Å; M380-V436 HydrophobicContact SD-CG2 4.04Å; M380-A439 HydrophobicContact CE-CB 4.45Å; M380-A439 HydrophobicContact SD-CB 3.88Å; M380-F445 HydrophobicContact CB-CE1 4.37Å; M380-F445 HydrophobicContact CB-CZ 4.38Å; M380-F445 HydrophobicContact CE-CE1 3.88Å; M380-F445 HydrophobicContact SD-CE1 4.15Å; M380-L446 HydrophobicContact CE-CD2 3.93Å; M380-V449 WeakPolarHBondContact O-CG1 3.35Å
381	I	93.8	Very high	92.4	Very high	3 Å²	3	35.6 Å²	35.6	2%	0.015	18%	0.184	C	C	.	.	H	α-helix	trans	-70	-53.3	177.9	-55.7	176.5	0	0	0	110.3	L378 N379 F445 V449 L751 A754 L755 L758	L378-I381 HydrophobicContact CD2-CD1 4.28Å; L378-I381 WeakPolarHBondContact O-CB 3.28Å; L378-I381 PolarHBondContact O-N 3.34Å; N379-I381 PolarHBondContact O-N 3.34Å; I381-F445 HydrophobicContact CD1-CE2 4.06Å; I381-F445 HydrophobicContact CD1-CZ 4.43Å; I381-F445 HydrophobicContact CG1-CE2 3.86Å; I381-F445 HydrophobicContact CG1-CZ 3.89Å; I381-V449 HydrophobicContact CG1-CG2 4.1Å; I381-L751 HydrophobicContact CG2-CB 4.35Å; I381-L751 HydrophobicContact CG2-CD2 4.06Å; I381-A754 HydrophobicContact CD1-CB 4.04Å; I381-A754 HydrophobicContact CG1-CB 4.11Å; I381-A754 HydrophobicContact CG2-CB 3.88Å; I381-L755 HydrophobicContact CD1-CD2 3.76Å; I381-L755 HydrophobicContact CD1-CG 4.22Å; I381-L758 HydrophobicContact CD1-CD2 4.05Å
382	H	93.3	Very high	91.5	Very high	30 Å²	30	36.7 Å²	36.7	14%	0.139	19%	0.193	C	C	.	.			trans	-153.3	98.6	-178.6	-163.2	-85.3	0	0	0	113.1	L378 N379 H384 I385 F386 L751	L378-H382 PolarHBondContact O-N 2.84Å; N379-H382 CarbonylContact O-C 3.53Å; N379-H382 PolarHBondContact O-N 3.36Å; H382-H384 VanDerWaalsContact C-N 3.3Å; H382-H384 PolarHBondContact O-N 3.28Å; H382-H384 VanDerWaalsContact O-N 3.16Å; H382-I385 HydrophobicContact CB-CB 4.32Å; H382-I385 WeakPolarHBondContact ND1-CB 3.24Å; H382-I385 WeakPolarHBondContact ND1-CD1 3.23Å; H382-I385 VanDerWaalsContact ND1-CG1 3.29Å; H382-I385 WeakPolarHBondContact ND1-CG1 3.47Å; H382-I385 PolarHBondContact ND1-N 3.48Å; H382-I385 VanDerWaalsContact ND1-N 3.2Å; H382-I385 PolarHBondContact O-N 3.27Å; H382-F386 HydrophobicContact CB-CD2 4.23Å; H382-F386 PolarHBondContact O-N 2.84Å; H382-L751 HydrophobicContact CB-CD1 4.2Å; H382-L751 HydrophobicContact CB-CD2 4.32Å
383	P	92.2	Very high	90.6	Very high	75 Å²	75	43 Å²	43	49%	0.487	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-30.2	-171	-27.1	33.4	0	0	0	116	N379 F386	N379-P383 WeakPolarHBondContact ND2-CA 3.32Å; N379-P383 VanDerWaalsContact O-CD 3.28Å; N379-P383 WeakPolarHBondContact O-CD 3.39Å; N379-P383 WeakPolarHBondContact O-CG 3.36Å; P383-F386 CarbonylContact O-C 3.37Å
384	H	89.7	Confident	89.7	Confident	69 Å²	69	42.2 Å²	42.2	32%	0.319	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-35.4	-179.7	-176.1	75.2	0	0	0	112.7	H382 A463	H382-H384 VanDerWaalsContact C-N 3.3Å; H382-H384 PolarHBondContact O-N 3.28Å; H382-H384 VanDerWaalsContact O-N 3.16Å; H384-A463 PolarHBondContact CE1-O 3.32Å
385	I	93.3	Very high	88.7	Confident	0 Å²	0	47 Å²	47	0%	0	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-35.1	-179.1	-71.4	166.5	0	0	0	109.8	H382 P387 M738 K739 V740 D744 T747 L748 L751	H382-I385 HydrophobicContact CB-CB 4.32Å; H382-I385 WeakPolarHBondContact ND1-CB 3.24Å; H382-I385 WeakPolarHBondContact ND1-CD1 3.23Å; H382-I385 VanDerWaalsContact ND1-CG1 3.29Å; H382-I385 WeakPolarHBondContact ND1-CG1 3.47Å; H382-I385 PolarHBondContact ND1-N 3.48Å; H382-I385 VanDerWaalsContact ND1-N 3.2Å; H382-I385 PolarHBondContact O-N 3.27Å; I385-P387 VanDerWaalsContact C-CD 3.45Å; I385-P387 VanDerWaalsContact O-CD 3.23Å; I385-P387 WeakPolarHBondContact O-CD 3.36Å; I385-M738 HydrophobicContact CG2-CE 3.68Å; I385-M738 HydrophobicContact CG2-CG 3.71Å; I385-M738 CarbonylContact O-C 3.57Å; I385-M738 WeakPolarHBondContact O-CA 3.45Å; I385-K739 WeakPolarHBondContact CA-O 3.49Å; I385-K739 PolarHBondContact O-N 3.05Å; I385-V740 HydrophobicContact CG2-CG2 4.46Å; I385-D744 HydrophobicContact CD1-CB 4.17Å; I385-T747 HydrophobicContact CD1-CG2 4.28Å; I385-L748 HydrophobicContact CD1-CD2 3.95Å; I385-L748 HydrophobicContact CG2-CD2 4.24Å; I385-L751 HydrophobicContact CD1-CD1 3.96Å
386	F	95.3	Very high	87.9	Confident	1 Å²	1	53.2 Å²	53.2	0%	0.004	28%	0.281	C	S	.	.	S	Bend	trans	-116.9	75.9	178.6	-55.1	-69.6	0	0	0	110.4	L378 N379 H382 P383 F735 M738 L751	L378-F386 HydrophobicContact CB-CB 3.78Å; L378-F386 HydrophobicContact CB-CD1 3.86Å; L378-F386 HydrophobicContact CB-CD2 4Å; L378-F386 HydrophobicContact CB-CE1 4.43Å; L378-F386 HydrophobicContact CB-CG 3.62Å; L378-F386 HydrophobicContact CD1-CD1 3.96Å; L378-F386 HydrophobicContact CD1-CE1 4.11Å; L378-F386 HydrophobicContact CD2-CE1 4.39Å; L378-F386 HydrophobicContact CD2-CZ 4.33Å; L378-F386 HydrophobicContact CG-CD1 4.39Å; L378-F386 VanDerWaalsContact O-CD2 3.26Å; L378-F386 WeakPolarHBondContact O-CD2 3.34Å; N379-F386 WeakPolarHBondContact CA-O 3.35Å; N379-F386 WeakPolarHBondContact CB-O 3.48Å; N379-F386 PolarHBondContact ND2-O 2.81Å; H382-F386 HydrophobicContact CB-CD2 4.23Å; H382-F386 PolarHBondContact O-N 2.84Å; P383-F386 CarbonylContact O-C 3.37Å; F386-F735 HydrophobicContact CE1-CB 4.18Å; F386-F735 AromaticContact CE1-CD2 3.97Å; F386-F735 HydrophobicContact CE1-CD2 3.97Å; F386-F735 HydrophobicContact CE1-CG 4.31Å; F386-F735 HydrophobicContact CZ-CD2 4.27Å; F386-M738 HydrophobicContact CD1-CB 4.27Å; F386-M738 HydrophobicContact CD1-CG 4.13Å; F386-M738 HydrophobicContact CE1-CB 4.1Å; F386-M738 HydrophobicContact CE1-CE 4.31Å; F386-M738 HydrophobicContact CE1-CG 3.7Å; F386-M738 HydrophobicContact CE1-SD 4.21Å; F386-M738 HydrophobicContact CZ-CE 4.21Å; F386-M738 HydrophobicContact CZ-CG 4.45Å; F386-L751 HydrophobicContact CE2-CD1 3.99Å
387	P	94.8	Very high	87.3	Confident	33 Å²	33	57.4 Å²	57.4	21%	0.214	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-66.5	144.7	179.5	27.9	-35.2	0	0	0	111.5	Q375 I385	Q375-P387 VanDerWaalsContact CG-O 3.25Å; Q375-P387 WeakPolarHBondContact CG-O 3.31Å; Q375-P387 PolarHBondContact NE2-O 3.19Å; I385-P387 VanDerWaalsContact C-CD 3.45Å; I385-P387 VanDerWaalsContact O-CD 3.23Å; I385-P387 WeakPolarHBondContact O-CD 3.36Å
388	L	94.3	Very high	86.9	Confident	82 Å²	82	61.5 Å²	61.5	43%	0.429	33%	0.327	S	S	.	.	P	Polyproline II helix	trans	-62.1	142.6	175.2	-66.8	175.6	0	0	0	111.7	N379	N379-L388 HydrophobicContact CB-CD2 3.65Å; N379-L388 HydrophobicContact CB-CG 4.28Å
389	L	92.6	Very high	86.6	Confident	24 Å²	24	62 Å²	62	13%	0.126	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-68.8	143.7	174.6	-52.5	-173.9	0	0	0	110.7	Q375 H737	Q375-L389 HydrophobicContact CB-CD1 4.21Å; Q375-L389 HydrophobicContact CB-CD2 4.25Å; Q375-L389 HydrophobicContact CB-CG 3.9Å; Q375-L389 HydrophobicContact CG-CD2 3.77Å; Q375-L389 HydrophobicContact CG-CG 3.83Å; L389-H737 HydrophobicContact CD2-CB 3.81Å; L389-H737 WeakPolarHBondContact CD2-CD2 3.19Å
390	R	88.4	Confident	86.3	Confident	154 Å²	154	63.6 Å²	63.6	58%	0.581	35%	0.349	S	S	*	.			trans	-111.6	147.4	-177.8	-58.5	179.5	179	-157.7	-3	109.6	R514	R390-R514 PolarHBondContact N-O 3.25Å; R390-R514 WeakPolarHBondContact O-CA 3.36Å
391	A	76.3	Confident	86.2	Confident	57 Å²	57	63.3 Å²	63.3	47%	0.471	35%	0.348	S	S	.	.			trans	-87.3	125.4	166.3	0	0	0	0	0	108.9	R393	A391-R393 HydrophobicContact CB-CG 4.08Å; A391-R393 PolarHBondContact O-N 3.2Å
392	A	70.2	Confident	86	Confident	28 Å²	28	70.7 Å²	70.7	23%	0.231	38%	0.382	C	S	.	.			trans	-76.2	112.8	164	0	0	0	0	0	107.4	C513	A392-C513 HydrophobicContact CB-CB 4.48Å
393	R	74.4	Confident	86	Confident	164 Å²	164	70.1 Å²	70.1	62%	0.619	38%	0.381	S	S	*	.			trans	-114.4	136.8	-177.6	-67.4	-175.1	178.9	174.8	2.2	109.8	A391 T395 N518	A391-R393 HydrophobicContact CB-CG 4.08Å; A391-R393 PolarHBondContact O-N 3.2Å; R393-T395 PolarHBondContact O-N 2.71Å; R393-N518 PolarHBondContact N-OD1 3Å; R393-N518 PolarHBondContact O-OD1 3.28Å
394	A	74.5	Confident	86	Confident	46 Å²	46	69 Å²	69	38%	0.38	37%	0.373	S	S	.	.			trans	-60.5	134.9	164.9	0	0	0	0	0	109.3	H362	H362-A394 HydrophobicContact CB-CB 4.37Å; H362-A394 WeakPolarHBondContact CD2-CB 3.24Å; H362-A394 WeakPolarHBondContact NE2-CB 3.36Å
395	T	70.8	Confident	86.2	Confident	131 Å²	131	68.3 Å²	68.3	80%	0.804	37%	0.372	S	S	*	.			trans	-94.4	-16.5	175.8	48.8	0	0	0	0	112.2	R393	R393-T395 PolarHBondContact O-N 2.71Å
396	E	77.7	Confident	86.3	Confident	133 Å²	133	69.4 Å²	69.4	62%	0.621	38%	0.378	S	S	*	.	S	Bend	trans	-76.1	149.1	-179.5	-69.5	176.5	-172.2	0	0	110.8
397	P	81.4	Confident	86.3	Confident	99 Å²	99	71 Å²	71	64%	0.643	38%	0.384	S	S	*	.	P	Polyproline II helix	trans	-62.6	154.5	175.1	28.4	-34	0	0	0	110.6
398	Q	87.8	Confident	86.3	Confident	101 Å²	101	69.4 Å²	69.4	47%	0.472	38%	0.375	S	S	.	.	P	Polyproline II helix	trans	-80.1	147.2	171.1	-71.1	180	-8.1	0	0	110.1	E335 H362 A400	E335-Q398 WeakPolarHBondContact OE1-CA 3.2Å; H362-Q398 HydrophobicContact CB-CG 4.44Å; Q398-A400 PolarHBondContact O-N 3.2Å
399	A	87.8	Confident	86.3	Confident	9 Å²	9	67.9 Å²	67.9	7%	0.074	37%	0.365	C	S	.	.	P	Polyproline II helix	trans	-51.3	124.4	170.4	0	0	0	0	0	110	E335 L338 E339 L401 R407	E335-A399 HydrophobicContact CG-CB 4.47Å; E335-A399 WeakPolarHBondContact OE1-CB 3.49Å; E335-A399 PolarHBondContact OE1-N 3.15Å; L338-A399 HydrophobicContact CB-CB 4.08Å; E339-A399 HydrophobicContact CG-CB 3.64Å; A399-L401 HydrophobicContact CB-CD2 4.31Å; A399-L401 HydrophobicContact CB-CG 4.5Å; A399-L401 PolarHBondContact O-N 2.86Å; A399-R407 PolarHBondContact O-NH2 3.21Å
400	A	90.1	Very high	86.4	Confident	66 Å²	66	66.8 Å²	66.8	55%	0.545	36%	0.359	S	S	.	.			trans	-75	114.8	171.7	0	0	0	0	0	109.1	K344 Q398	K344-A400 WeakPolarHBondContact CE-O 3.39Å; Q398-A400 PolarHBondContact O-N 3.2Å
401	L	91.3	Very high	86.7	Confident	25 Å²	25	60 Å²	60	13%	0.131	34%	0.335	C	S	.	.			trans	-114.7	134.5	-178.7	-57.2	175.4	0	0	0	109.6	K344 M347 I358 A399 V403 N405	K344-L401 HydrophobicContact CG-CD2 4Å; M347-L401 HydrophobicContact CE-CD1 4.21Å; M347-L401 HydrophobicContact SD-CD1 4.43Å; M347-L401 HydrophobicContact SD-CD2 4.19Å; I358-L401 HydrophobicContact CD1-CD1 3.28Å; A399-L401 HydrophobicContact CB-CD2 4.31Å; A399-L401 HydrophobicContact CB-CG 4.5Å; A399-L401 PolarHBondContact O-N 2.86Å; L401-V403 VanDerWaalsContact C-N 3.35Å; L401-N405 HydrophobicContact CD1-CB 4.39Å
402	H	90.1	Very high	87.7	Confident	157 Å²	157	57.3 Å²	57.3	73%	0.727	31%	0.312	S	S	*	.	S	Bend	trans	-94.6	12.4	-177.7	-60.8	-60	0	0	0	113.9	E348	E348-H402 IonicContact OE1-CD2 3.87Å
403	V	92.6	Very high	88.9	Confident	19 Å²	19	57 Å²	57	12%	0.115	31%	0.306	C	S	.	.	S	Bend	trans	-112.5	155.6	177.4	-62	0	0	0	0	111	M347 E348 L401 N405	M347-V403 HydrophobicContact CB-CG1 4.44Å; M347-V403 HydrophobicContact CB-CG2 4.25Å; M347-V403 HydrophobicContact CE-CG2 3.7Å; E348-V403 HydrophobicContact CG-CG1 3.89Å; L401-V403 VanDerWaalsContact C-N 3.35Å; V403-N405 PolarHBondContact O-N 2.68Å; V403-N405 PolarHBondContact O-ND2 2.98Å
404	P	92.9	Very high	90	Very high	51 Å²	51	49.6 Å²	49.6	33%	0.331	28%	0.278	S	S	.	.			trans	-58.7	113.4	173.4	-20.1	32	0	0	0	110.4	S352 H356	S352-P404 WeakPolarHBondContact O-CG 3.48Å; H356-P404 WeakPolarHBondContact CB-O 3.33Å; H356-P404 PolarHBondContact CD2-O 3.47Å; H356-P404 VanDerWaalsContact CD2-O 3.3Å; H356-P404 PolarHBondContact N-O 3.39Å
405	N	94.7	Very high	91.1	Very high	55 Å²	55	48 Å²	48	29%	0.294	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	148	-176.2	70.8	94.7	0	0	0	112.3	H356 I358 L401 V403	H356-N405 HydrophobicContact CB-CB 3.95Å; H356-N405 CarbonylContact O-C 3.6Å; H356-N405 WeakPolarHBondContact O-CA 3.38Å; I358-N405 HydrophobicContact CD1-CB 4.04Å; L401-N405 HydrophobicContact CD1-CB 4.39Å; V403-N405 PolarHBondContact O-N 2.68Å; V403-N405 PolarHBondContact O-ND2 2.98Å
406	V	95.6	Very high	92.2	Very high	22 Å²	22	41.9 Å²	41.9	13%	0.133	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	126.7	177.6	-178.7	0	0	0	0	108.3	H356 L357 I358 L412 W422	H356-V406 PolarHBondContact O-N 2.92Å; L357-V406 WeakPolarHBondContact CA-O 3.42Å; I358-V406 PolarHBondContact N-O 3.32Å; V406-L412 HydrophobicContact CG1-CD2 3.68Å; V406-W422 HydrophobicContact CB-CH2 4.37Å; V406-W422 HydrophobicContact CB-CZ2 4Å; V406-W422 HydrophobicContact CG2-CD2 4.31Å; V406-W422 HydrophobicContact CG2-CZ2 3.86Å
407	R	94.5	Very high	92.9	Very high	34 Å²	34	35.6 Å²	35.6	13%	0.128	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	136	170.1	-59.2	-54.2	-176	139.7	1.3	108.8	E335 V363 A399	E335-R407 IonicContact OE1-CZ 3.53Å; E335-R407 IonicContact OE1-NH1 3.83Å; E335-R407 PolarHBondContact OE1-NH1 2.88Å; E335-R407 IonicContact OE1-NH2 2.85Å; E335-R407 PolarHBondContact OE1-NH2 3.01Å; E335-R407 IonicContact OE2-CZ 3.92Å; E335-R407 IonicContact OE2-NH1 2.84Å; E335-R407 PolarHBondContact OE2-NH1 3.42Å; E335-R407 IonicContact OE2-NH2 3.69Å; V363-R407 HydrophobicContact CG2-CB 4.43Å; A399-R407 PolarHBondContact O-NH2 3.21Å
408	A	95.2	Very high	93.3	Very high	1 Å²	1	35 Å²	35	1%	0.008	19%	0.192	C	C	.	.			trans	-61.9	145.3	-175	0	0	0	0	0	111.9	V43 A46 L357 I358 L359 V363	V43-A408 HydrophobicContact CG1-CB 4.23Å; V43-A408 HydrophobicContact CG2-CB 4.14Å; A46-A408 HydrophobicContact CB-CB 4.07Å; L357-A408 HydrophobicContact CD1-CB 4.12Å; I358-A408 VanDerWaalsContact O-CB 3.27Å; I358-A408 WeakPolarHBondContact O-CB 3.45Å; I358-A408 PolarHBondContact O-N 3.5Å; L359-A408 HydrophobicContact CB-CB 4.4Å; L359-A408 HydrophobicContact CD1-CB 3.82Å; L359-A408 HydrophobicContact CG-CB 3.59Å; V363-A408 WeakPolarHBondContact CG1-O 3.42Å; V363-A408 HydrophobicContact CG2-CB 4.45Å
409	E	94.6	Very high	93.3	Very high	50 Å²	50	34.2 Å²	34.2	23%	0.234	19%	0.194	C	C	.	.			trans	-129.8	151.9	169.8	-76.9	158.8	84.1	0	0	108.3	V43 L411 L412 R424 V427	V43-E409 VanDerWaalsContact CB-O 3.29Å; V43-E409 WeakPolarHBondContact CB-O 3.42Å; V43-E409 WeakPolarHBondContact CG1-O 3.49Å; E409-L411 PolarHBondContact O-N 3.02Å; E409-L412 HydrophobicContact CB-CB 4.12Å; E409-L412 VanDerWaalsContact O-CB 3.26Å; E409-L412 WeakPolarHBondContact O-CB 3.46Å; E409-L412 PolarHBondContact O-N 3.35Å; E409-R424 IonicContact OE1-NH1 2.78Å; E409-R424 PolarHBondContact OE1-NH1 2.7Å; E409-R424 IonicContact OE2-CZ 2.93Å; E409-R424 IonicContact OE2-NH1 3.84Å; E409-R424 PolarHBondContact OE2-NH1 2.89Å; E409-R424 IonicContact OE2-NH2 2.76Å; E409-R424 PolarHBondContact OE2-NH2 3.06Å; E409-V427 HydrophobicContact CB-CG1 4.12Å; E409-V427 HydrophobicContact CB-CG2 4.33Å
410	C	93.5	Very high	93.6	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	130.5	177.3	-172.2	0	0	0	0	109.7	H79 T365 H367 L412 P428	H79-C410 PolarHBondContact NE2-SG 3.23Å; T365-C410 HydrophobicContact CG2-CB 4.08Å; T365-C410 PolarHBondContact OG1-N 2.74Å; T365-C410 VanDerWaalsContact OG1-N 3.08Å; H367-C410 VanDerWaalsContact CD2-SG 3.56Å; C410-L412 PolarHBondContact O-N 3.23Å; C410-L412 VanDerWaalsContact O-N 3.15Å; C410-P428 HydrophobicContact CB-CG 4.06Å; C410-P428 VanDerWaalsContact O-CD 3.25Å; C410-P428 WeakPolarHBondContact O-CD 3.41Å
411	L	95.4	Very high	93.9	Very high	12 Å²	12	39.6 Å²	39.6	6%	0.063	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.8	7.8	-176.9	-56.8	-177.7	0	0	0	117.1	Q42 V43 H79 L81 E409 K413 A426	Q42-L411 PolarHBondContact NE2-O 3.4Å; V43-L411 VanDerWaalsContact O-CA 3.27Å; V43-L411 WeakPolarHBondContact O-CA 3.44Å; V43-L411 PolarHBondContact O-N 3.34Å; H79-L411 HydrophobicContact CB-CD1 3.76Å; H79-L411 HydrophobicContact CB-CD2 3.73Å; H79-L411 HydrophobicContact CB-CG 4.2Å; H79-L411 VanDerWaalsContact CG-CD1 3.48Å; H79-L411 WeakPolarHBondContact ND1-CD1 3.2Å; L81-L411 HydrophobicContact CD1-CD2 4.13Å; L81-L411 HydrophobicContact CD2-CD2 4.21Å; L81-L411 HydrophobicContact CG-CD2 4.44Å; E409-L411 PolarHBondContact O-N 3.02Å; L411-K413 PolarHBondContact O-N 2.94Å; L411-A426 HydrophobicContact CB-CB 4.08Å; L411-A426 WeakPolarHBondContact CB-O 3.44Å; L411-A426 HydrophobicContact CD1-CB 4.29Å; L411-A426 WeakPolarHBondContact CD1-O 3.16Å
412	L	96.9	Very high	94.2	Very high	1 Å²	1	41.3 Å²	41.3	1%	0.005	21%	0.212	C	C	.	.			trans	-54.4	128.3	169.9	-179.8	65.3	0	0	0	109.3	Q42 V43 L357 V406 E409 C410 W422 R424 V427	Q42-L412 WeakPolarHBondContact CA-O 3.3Å; V43-L412 HydrophobicContact CG2-CB 4.26Å; V43-L412 PolarHBondContact N-O 3.21Å; L357-L412 HydrophobicContact CD1-CD2 3.97Å; V406-L412 HydrophobicContact CG1-CD2 3.68Å; E409-L412 HydrophobicContact CB-CB 4.12Å; E409-L412 VanDerWaalsContact O-CB 3.26Å; E409-L412 WeakPolarHBondContact O-CB 3.46Å; E409-L412 PolarHBondContact O-N 3.35Å; C410-L412 PolarHBondContact O-N 3.23Å; C410-L412 VanDerWaalsContact O-N 3.15Å; L412-W422 HydrophobicContact CD1-CE3 3.88Å; L412-W422 HydrophobicContact CD1-CZ3 4.41Å; L412-W422 HydrophobicContact CD2-CE3 3.95Å; L412-W422 HydrophobicContact CD2-CZ3 3.71Å; L412-W422 HydrophobicContact CG-CE3 3.83Å; L412-W422 HydrophobicContact CG-CZ3 3.84Å; L412-R424 HydrophobicContact CD1-CG 3.68Å; L412-V427 HydrophobicContact CB-CG2 4.34Å
413	K	96.3	Very high	94.5	Very high	22 Å²	22	35.5 Å²	35.5	10%	0.096	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	133.2	-178.2	-80.4	174.5	-77	149.9	0	109.6	V41 Q42 L411 Q423 D425	V41-K413 CarbonylContact O-C 3.45Å; V41-K413 WeakPolarHBondContact O-CA 3.3Å; Q42-K413 HydrophobicContact CB-CG 3.84Å; Q42-K413 HydrophobicContact CG-CD 4.43Å; Q42-K413 HydrophobicContact CG-CG 3.58Å; L411-K413 PolarHBondContact O-N 2.94Å; K413-Q423 HydrophobicContact CB-CB 3.92Å; K413-Q423 PolarHBondContact N-O 3.06Å; K413-Q423 VanDerWaalsContact N-O 3.07Å; K413-Q423 PolarHBondContact O-N 3.19Å; K413-D425 WeakPolarHBondContact CE-OD1 3.36Å; K413-D425 VanDerWaalsContact NZ-CG 3.27Å; K413-D425 IonicContact NZ-OD1 3.05Å; K413-D425 PolarHBondContact NZ-OD1 3.12Å; K413-D425 IonicContact NZ-OD2 2.98Å; K413-D425 PolarHBondContact NZ-OD2 2.77Å
414	F	97.5	Very high	94.6	Very high	8 Å²	8	40.4 Å²	40.4	4%	0.035	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	119.6	160.3	-168	-109.7	0	0	0	108.4	Y40 V41 L328 E355 L416 M420 W422	Y40-F414 WeakPolarHBondContact CA-O 3.38Å; V41-F414 HydrophobicContact CB-CB 4.49Å; V41-F414 PolarHBondContact N-O 3.45Å; V41-F414 PolarHBondContact O-N 3.07Å; L328-F414 HydrophobicContact CB-CD1 4.25Å; L328-F414 HydrophobicContact CB-CE1 4.11Å; L328-F414 HydrophobicContact CD2-CB 4.23Å; L328-F414 HydrophobicContact CD2-CD1 3.78Å; L328-F414 HydrophobicContact CD2-CE1 4.48Å; L328-F414 HydrophobicContact CD2-CG 4.21Å; L328-F414 HydrophobicContact CG-CD1 4.42Å; E355-F414 HydrophobicContact CB-CE2 4.4Å; E355-F414 HydrophobicContact CB-CZ 4.43Å; E355-F414 HydrophobicContact CG-CE2 3.97Å; E355-F414 HydrophobicContact CG-CZ 4.09Å; F414-L416 HydrophobicContact CD1-CD2 3.92Å; F414-L416 HydrophobicContact CD1-CG 4.2Å; F414-L416 HydrophobicContact CE1-CD2 3.79Å; F414-L416 HydrophobicContact CE1-CG 4.49Å; F414-M420 HydrophobicContact CZ-CB 4.37Å; F414-W422 HydrophobicContact CB-CE3 3.99Å; F414-W422 HydrophobicContact CB-CH2 4.03Å; F414-W422 HydrophobicContact CB-CZ3 3.68Å; F414-W422 AromaticContact CD2-CD2 3.59Å; F414-W422 HydrophobicContact CD2-CD2 3.59Å; F414-W422 AromaticContact CD2-CE2 3.56Å; F414-W422 AromaticContact CD2-CE3 3.83Å; F414-W422 HydrophobicContact CD2-CE3 3.83Å; F414-W422 HydrophobicContact CD2-CG 4.09Å; F414-W422 HydrophobicContact CD2-CH2 4Å; F414-W422 AromaticContact CD2-CZ2 3.8Å; F414-W422 HydrophobicContact CD2-CZ2 3.8Å; F414-W422 HydrophobicContact CD2-CZ3 4.04Å; F414-W422 HydrophobicContact CE2-CD2 4.27Å; F414-W422 AromaticContact CE2-CE2 3.94Å; F414-W422 HydrophobicContact CE2-CG 4.48Å; F414-W422 HydrophobicContact CE2-CZ2 4.28Å; F414-W422 AromaticContact CE2-NE1 3.99Å; F414-W422 HydrophobicContact CG-CE3 4.4Å; F414-W422 HydrophobicContact CG-CH2 4.27Å; F414-W422 HydrophobicContact CG-CZ2 4.45Å; F414-W422 HydrophobicContact CG-CZ3 4.27Å
415	Q	96.8	Very high	94.6	Very high	13 Å²	13	43.8 Å²	43.8	6%	0.061	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	117.9	175.7	-174.4	163.1	17.1	0	0	108.6	Y40 R417 V419 M420 E421	Y40-Q415 HydrophobicContact CD1-CB 3.93Å; Y40-Q415 HydrophobicContact CD1-CG 3.9Å; Y40-Q415 HydrophobicContact CE1-CB 3.93Å; Y40-Q415 HydrophobicContact CE1-CG 3.57Å; Y40-Q415 PolarHBondContact OH-NE2 2.86Å; Q415-R417 WeakPolarHBondContact CG-O 3.43Å; Q415-R417 PolarHBondContact NE2-O 3.41Å; Q415-V419 WeakPolarHBondContact CG-O 3.34Å; Q415-M420 VanDerWaalsContact O-CA 3.26Å; Q415-M420 WeakPolarHBondContact O-CA 3.24Å; Q415-E421 HydrophobicContact CB-CG 4.31Å; Q415-E421 PolarHBondContact N-O 3.33Å; Q415-E421 PolarHBondContact O-N 3.39Å
416	L	94.7	Very high	94.3	Very high	1 Å²	1	42.6 Å²	42.6	1%	0.005	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	-28.2	175.1	-74.4	168.3	0	0	0	111.7	V39 V41 L235 P292 F294 V327 F414	V39-L416 HydrophobicContact CB-CB 4.25Å; V39-L416 HydrophobicContact CG1-CB 4.43Å; V39-L416 HydrophobicContact CG1-CD1 4.09Å; V39-L416 PolarHBondContact O-N 2.93Å; V41-L416 HydrophobicContact CG2-CD1 3.65Å; V41-L416 HydrophobicContact CG2-CG 4.25Å; L235-L416 HydrophobicContact CD1-CB 4.05Å; L235-L416 HydrophobicContact CD1-CD1 4.18Å; P292-L416 HydrophobicContact CG-CB 4.39Å; P292-L416 HydrophobicContact CG-CD2 4.43Å; F294-L416 HydrophobicContact CD1-CD1 3.5Å; F294-L416 VanDerWaalsContact CD1-CD1 3.5Å; F294-L416 HydrophobicContact CE1-CD1 3.82Å; F294-L416 HydrophobicContact CG-CD1 4.23Å; V327-L416 HydrophobicContact CG2-CD2 3.47Å; V327-L416 VanDerWaalsContact CG2-CD2 3.47Å; F414-L416 HydrophobicContact CD1-CD2 3.92Å; F414-L416 HydrophobicContact CD1-CG 4.2Å; F414-L416 HydrophobicContact CE1-CD2 3.79Å; F414-L416 HydrophobicContact CE1-CG 4.49Å
417	R	92.1	Very high	94.1	Very high	2 Å²	2	43.1 Å²	43.1	1%	0.008	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	145.7	176.3	-78	-170	175.3	151.9	3	112.3	P36 S37 V39 H236 D289 P290 Q415	P36-R417 WeakPolarHBondContact O-CD 3.47Å; P36-R417 PolarHBondContact O-NH1 3.35Å; P36-R417 VanDerWaalsContact O-NH1 3.11Å; S37-R417 WeakPolarHBondContact O-CB 3.47Å; V39-R417 PolarHBondContact N-O 3.2Å; V39-R417 PolarHBondContact O-N 3.36Å; H236-R417 PolarHBondContact O-NH1 3.02Å; H236-R417 PolarHBondContact O-NH2 3.2Å; D289-R417 VanDerWaalsContact CG-NE 3.34Å; D289-R417 PolarHBondContact O-NH2 3.47Å; D289-R417 IonicContact OD1-CZ 3.97Å; D289-R417 IonicContact OD1-NE 2.99Å; D289-R417 PolarHBondContact OD1-NE 2.81Å; D289-R417 IonicContact OD1-NH2 3.47Å; D289-R417 PolarHBondContact OD1-NH2 3.41Å; D289-R417 WeakPolarHBondContact OD2-CD 3.49Å; D289-R417 IonicContact OD2-CZ 3.85Å; D289-R417 IonicContact OD2-NE 3.04Å; D289-R417 PolarHBondContact OD2-NE 3.37Å; D289-R417 IonicContact OD2-NH2 2.71Å; P290-R417 PolarHBondContact O-NH2 3.22Å; Q415-R417 WeakPolarHBondContact CG-O 3.43Å; Q415-R417 PolarHBondContact NE2-O 3.41Å
418	P	88.3	Confident	93.8	Very high	86 Å²	86	42.8 Å²	42.8	56%	0.558	22%	0.22	S	C	*	.	S	Bend	cis	-87	-16.5	4.2	33.4	-33.1	0	0	0	114.1
419	V	89.7	Confident	93.2	Very high	85 Å²	85	47.2 Å²	47.2	52%	0.515	25%	0.251	S	S	.	.	S	Bend	trans	-119.5	132.8	177.9	-178.7	0	0	0	0	108.2	Q415 E421	Q415-V419 WeakPolarHBondContact CG-O 3.34Å; V419-E421 PolarHBondContact O-N 2.87Å
420	M	93.9	Very high	92.8	Very high	99 Å²	99	46.9 Å²	46.9	49%	0.488	25%	0.254	S	S	.	.			trans	-78	106	177.2	-66.3	179.2	-167.6	0	0	109.7	P292 V327 F414 Q415	P292-M420 HydrophobicContact CB-CE 3.72Å; P292-M420 HydrophobicContact CG-CE 4.08Å; V327-M420 HydrophobicContact CB-SD 4.22Å; V327-M420 HydrophobicContact CG1-CE 4.08Å; V327-M420 HydrophobicContact CG1-SD 4.1Å; V327-M420 HydrophobicContact CG2-SD 4.46Å; F414-M420 HydrophobicContact CZ-CB 4.37Å; Q415-M420 VanDerWaalsContact O-CA 3.26Å; Q415-M420 WeakPolarHBondContact O-CA 3.24Å
421	E	95.4	Very high	92.6	Very high	88 Å²	88	50 Å²	50	41%	0.411	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	155.1	-178.8	61	173.9	-158.1	0	0	112.9	Q415 V419 Q423	Q415-E421 HydrophobicContact CB-CG 4.31Å; Q415-E421 PolarHBondContact N-O 3.33Å; Q415-E421 PolarHBondContact O-N 3.39Å; V419-E421 PolarHBondContact O-N 2.87Å; E421-Q423 HydrophobicContact CG-CG 4.39Å; E421-Q423 PolarHBondContact OE1-NE2 3.03Å
422	W	97.1	Very high	92.3	Very high	62 Å²	62	52.6 Å²	52.6	24%	0.235	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	131.1	169.5	-71.3	108	0	0	0	111	L328 E355 L357 V406 L412 F414	L328-W422 HydrophobicContact CD1-CH2 4.11Å; L328-W422 HydrophobicContact CD1-CZ2 4.22Å; E355-W422 HydrophobicContact CB-CZ2 4.13Å; E355-W422 PolarHBondContact OE2-NE1 3.22Å; L357-W422 HydrophobicContact CB-CH2 4.03Å; L357-W422 HydrophobicContact CD1-CH2 3.86Å; L357-W422 HydrophobicContact CD1-CZ3 4.19Å; L357-W422 HydrophobicContact CD2-CH2 4.31Å; L357-W422 HydrophobicContact CG-CH2 4.26Å; V406-W422 HydrophobicContact CB-CH2 4.37Å; V406-W422 HydrophobicContact CB-CZ2 4Å; V406-W422 HydrophobicContact CG2-CD2 4.31Å; V406-W422 HydrophobicContact CG2-CZ2 3.86Å; L412-W422 HydrophobicContact CD1-CE3 3.88Å; L412-W422 HydrophobicContact CD1-CZ3 4.41Å; L412-W422 HydrophobicContact CD2-CE3 3.95Å; L412-W422 HydrophobicContact CD2-CZ3 3.71Å; L412-W422 HydrophobicContact CG-CE3 3.83Å; L412-W422 HydrophobicContact CG-CZ3 3.84Å; F414-W422 HydrophobicContact CB-CE3 3.99Å; F414-W422 HydrophobicContact CB-CH2 4.03Å; F414-W422 HydrophobicContact CB-CZ3 3.68Å; F414-W422 AromaticContact CD2-CD2 3.59Å; F414-W422 HydrophobicContact CD2-CD2 3.59Å; F414-W422 AromaticContact CD2-CE2 3.56Å; F414-W422 AromaticContact CD2-CE3 3.83Å; F414-W422 HydrophobicContact CD2-CE3 3.83Å; F414-W422 HydrophobicContact CD2-CG 4.09Å; F414-W422 HydrophobicContact CD2-CH2 4Å; F414-W422 AromaticContact CD2-CZ2 3.8Å; F414-W422 HydrophobicContact CD2-CZ2 3.8Å; F414-W422 HydrophobicContact CD2-CZ3 4.04Å; F414-W422 HydrophobicContact CE2-CD2 4.27Å; F414-W422 AromaticContact CE2-CE2 3.94Å; F414-W422 HydrophobicContact CE2-CG 4.48Å; F414-W422 HydrophobicContact CE2-CZ2 4.28Å; F414-W422 AromaticContact CE2-NE1 3.99Å; F414-W422 HydrophobicContact CG-CE3 4.4Å; F414-W422 HydrophobicContact CG-CH2 4.27Å; F414-W422 HydrophobicContact CG-CZ2 4.45Å; F414-W422 HydrophobicContact CG-CZ3 4.27Å
423	Q	96.4	Very high	92.1	Very high	34 Å²	34	60 Å²	60	16%	0.159	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	120.3	177.4	-70.4	-178.8	-5.5	0	0	110.6	K413 E421	K413-Q423 HydrophobicContact CB-CB 3.92Å; K413-Q423 PolarHBondContact N-O 3.06Å; K413-Q423 VanDerWaalsContact N-O 3.07Å; K413-Q423 PolarHBondContact O-N 3.19Å; E421-Q423 HydrophobicContact CG-CG 4.39Å; E421-Q423 PolarHBondContact OE1-NE2 3.03Å
424	R	95.2	Very high	91.9	Very high	123 Å²	123	63.6 Å²	63.6	46%	0.464	34%	0.338	S	S	.	.			trans	-111.8	3.9	-178.3	-69.1	165.6	169.1	-80.2	-11.7	113.1	E409 L412 A426 V427	E409-R424 IonicContact OE1-NH1 2.78Å; E409-R424 PolarHBondContact OE1-NH1 2.7Å; E409-R424 IonicContact OE2-CZ 2.93Å; E409-R424 IonicContact OE2-NH1 3.84Å; E409-R424 PolarHBondContact OE2-NH1 2.89Å; E409-R424 IonicContact OE2-NH2 2.76Å; E409-R424 PolarHBondContact OE2-NH2 3.06Å; L412-R424 HydrophobicContact CD1-CG 3.68Å; R424-A426 PolarHBondContact O-N 2.87Å; R424-V427 HydrophobicContact CB-CG2 4.22Å; R424-V427 HydrophobicContact CG-CG2 4.41Å; R424-V427 WeakPolarHBondContact O-CB 3.32Å; R424-V427 PolarHBondContact O-N 3.33Å; R424-V427 VanDerWaalsContact O-N 3.12Å
425	D	92.2	Very high	91.8	Very high	121 Å²	121	63.8 Å²	63.8	65%	0.647	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-33.2	180	64.6	-47	0	0	0	113.6	K413	K413-D425 WeakPolarHBondContact CE-OD1 3.36Å; K413-D425 VanDerWaalsContact NZ-CG 3.27Å; K413-D425 IonicContact NZ-OD1 3.05Å; K413-D425 PolarHBondContact NZ-OD1 3.12Å; K413-D425 IonicContact NZ-OD2 2.98Å; K413-D425 PolarHBondContact NZ-OD2 2.77Å
426	A	89.4	Confident	91.6	Very high	31 Å²	31	65.7 Å²	65.7	26%	0.256	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.4	-6.8	-178.3	0	0	0	0	0	113.4	L411 R424	L411-A426 HydrophobicContact CB-CB 4.08Å; L411-A426 WeakPolarHBondContact CB-O 3.44Å; L411-A426 HydrophobicContact CD1-CB 4.29Å; L411-A426 WeakPolarHBondContact CD1-O 3.16Å; R424-A426 PolarHBondContact O-N 2.87Å
427	V	91.6	Very high	91.6	Very high	32 Å²	32	71.9 Å²	71.9	19%	0.194	38%	0.379	C	S	.	.	P	Polyproline II helix	trans	-65.6	123.4	-178.3	175.9	0	0	0	0	108.3	E409 L412 R424 S429	E409-V427 HydrophobicContact CB-CG1 4.12Å; E409-V427 HydrophobicContact CB-CG2 4.33Å; L412-V427 HydrophobicContact CB-CG2 4.34Å; R424-V427 HydrophobicContact CB-CG2 4.22Å; R424-V427 HydrophobicContact CG-CG2 4.41Å; R424-V427 WeakPolarHBondContact O-CB 3.32Å; R424-V427 PolarHBondContact O-N 3.33Å; R424-V427 VanDerWaalsContact O-N 3.12Å; V427-S429 PolarHBondContact O-N 3.47Å
428	P	87.1	Confident	91.7	Very high	28 Å²	28	75 Å²	75	18%	0.182	39%	0.393	C	S	.	.	P	Polyproline II helix	trans	-68.5	134.2	-177.1	25.4	-31.5	0	0	0	111.5	V366 V369 C410	V366-P428 VanDerWaalsContact O-CG 3.24Å; V366-P428 WeakPolarHBondContact O-CG 3.39Å; V369-P428 HydrophobicContact CG2-CB 3.39Å; V369-P428 HydrophobicContact CG2-CG 4.21Å; C410-P428 HydrophobicContact CB-CG 4.06Å; C410-P428 VanDerWaalsContact O-CD 3.25Å; C410-P428 WeakPolarHBondContact O-CD 3.41Å
429	S	84.1	Confident	91.9	Very high	93 Å²	93	70.9 Å²	70.9	65%	0.65	37%	0.366	S	S	*	.	P	Polyproline II helix	trans	-92.4	141.3	161.7	57.8	0	0	0	0	109.8	V427	V427-S429 PolarHBondContact O-N 3.47Å
430	C	85.4	Confident	92	Very high	44 Å²	44	69 Å²	69	30%	0.297	36%	0.357	S	S	.	.			trans	-112.3	93.1	174.6	-174.3	0	0	0	0	108.3	V366	V366-C430 HydrophobicContact CB-CB 4.23Å; V366-C430 HydrophobicContact CG1-CB 4.11Å; V366-C430 HydrophobicContact CG2-CB 3.95Å
431	N	88.8	Confident	92.1	Very high	64 Å²	64	70.4 Å²	70.4	34%	0.342	36%	0.363	S	S	.	.			trans	-104	101.2	-178	-171.9	-7.6	0	0	0	111.3	E433 E434 F435	N431-E433 VanDerWaalsContact C-N 3.27Å; N431-E433 PolarHBondContact O-N 2.77Å; N431-E433 WeakPolarHBondContact OD1-CB 3.15Å; N431-E433 PolarHBondContact OD1-N 2.86Å; N431-E434 HydrophobicContact CB-CB 3.9Å; N431-E434 PolarHBondContact O-N 3.13Å; N431-E434 PolarHBondContact OD1-N 3.34Å; N431-F435 WeakPolarHBondContact O-CD2 3.45Å; N431-F435 VanDerWaalsContact O-CG 3.31Å; N431-F435 WeakPolarHBondContact O-CG 3.47Å; N431-F435 PolarHBondContact O-N 3.31Å
432	T	89.3	Confident	91.9	Very high	67 Å²	67	68.2 Å²	68.2	41%	0.411	35%	0.353	S	S	.	.	H	α-helix	trans	-59.8	-36.4	178.2	-50	0	0	0	0	112.3	T376 E434 F435 V436	T376-T432 HydrophobicContact CG2-CG2 3.59Å; T432-E434 VanDerWaalsContact C-N 3.34Å; T432-F435 PolarHBondContact O-N 2.91Å; T432-V436 WeakPolarHBondContact O-CG2 3.42Å; T432-V436 PolarHBondContact O-N 3.03Å
433	E	92.5	Very high	91.7	Very high	157 Å²	157	70 Å²	70	73%	0.734	37%	0.373	S	S	*	.	H	α-helix	trans	-67.1	-38.3	-179.4	-62	175.2	179.4	0	0	111.3	N431 V436 K437	N431-E433 VanDerWaalsContact C-N 3.27Å; N431-E433 PolarHBondContact O-N 2.77Å; N431-E433 WeakPolarHBondContact OD1-CB 3.15Å; N431-E433 PolarHBondContact OD1-N 2.86Å; E433-V436 PolarHBondContact O-N 3.06Å; E433-K437 WeakPolarHBondContact O-CB 3.48Å; E433-K437 PolarHBondContact O-N 3.49Å
434	E	93.5	Very high	91.5	Very high	97 Å²	97	73.4 Å²	73.4	45%	0.453	39%	0.392	S	S	.	.	H	α-helix	trans	-64.1	-44.7	174.7	-172.3	175.9	-176.2	0	0	111	N431 T432 V436 K437 E438	N431-E434 HydrophobicContact CB-CB 3.9Å; N431-E434 PolarHBondContact O-N 3.13Å; N431-E434 PolarHBondContact OD1-N 3.34Å; T432-E434 VanDerWaalsContact C-N 3.34Å; E434-V436 VanDerWaalsContact C-N 3.32Å; E434-V436 PolarHBondContact O-N 3.19Å; E434-K437 WeakPolarHBondContact O-CB 3.34Å; E434-K437 PolarHBondContact O-N 3.39Å; E434-E438 WeakPolarHBondContact O-CG 3.13Å; E434-E438 PolarHBondContact O-N 2.87Å
435	F	93.6	Very high	91.4	Very high	13 Å²	13	67.5 Å²	67.5	6%	0.057	37%	0.37	C	S	.	.	H	α-helix	trans	-63.2	-38.2	178.1	-54.5	-28.6	0	0	0	112.9	V369 H372 K373 T376 Q377 N431 T432 A439	V369-F435 HydrophobicContact CG1-CE1 4.45Å; V369-F435 HydrophobicContact CG1-CZ 3.81Å; H372-F435 HydrophobicContact CB-CE2 4.36Å; K373-F435 HydrophobicContact CB-CD1 3.86Å; K373-F435 HydrophobicContact CB-CD2 4.03Å; K373-F435 HydrophobicContact CB-CE1 3.96Å; K373-F435 HydrophobicContact CB-CE2 4.11Å; K373-F435 HydrophobicContact CB-CG 3.92Å; K373-F435 HydrophobicContact CB-CZ 4.09Å; K373-F435 HydrophobicContact CD-CD1 3.97Å; K373-F435 HydrophobicContact CD-CE1 4.28Å; K373-F435 HydrophobicContact CG-CB 4.28Å; K373-F435 HydrophobicContact CG-CD1 3.79Å; K373-F435 HydrophobicContact CG-CE1 4.29Å; K373-F435 HydrophobicContact CG-CG 3.97Å; T376-F435 HydrophobicContact CG2-CB 3.99Å; Q377-F435 PolarHBondContact NE2-O 3.03Å; N431-F435 WeakPolarHBondContact O-CD2 3.45Å; N431-F435 VanDerWaalsContact O-CG 3.31Å; N431-F435 WeakPolarHBondContact O-CG 3.47Å; N431-F435 PolarHBondContact O-N 3.31Å; T432-F435 PolarHBondContact O-N 2.91Å; F435-A439 PolarHBondContact O-N 3.44Å; F435-A439 VanDerWaalsContact O-N 3.13Å
436	V	94.4	Very high	91.4	Very high	52 Å²	52	65.9 Å²	65.9	32%	0.315	36%	0.361	S	S	.	.	H	α-helix	trans	-66.8	-42.9	174.8	169.3	0	0	0	0	110.6	T376 M380 T432 E433 E434 A439 S440	T376-V436 HydrophobicContact CG2-CG2 3.72Å; M380-V436 HydrophobicContact CE-CG1 3.94Å; M380-V436 HydrophobicContact CG-CG2 4.49Å; M380-V436 HydrophobicContact SD-CB 4.2Å; M380-V436 HydrophobicContact SD-CG1 4.03Å; M380-V436 HydrophobicContact SD-CG2 4.04Å; T432-V436 WeakPolarHBondContact O-CG2 3.42Å; T432-V436 PolarHBondContact O-N 3.03Å; E433-V436 PolarHBondContact O-N 3.06Å; E434-V436 VanDerWaalsContact C-N 3.32Å; E434-V436 PolarHBondContact O-N 3.19Å; V436-A439 PolarHBondContact O-N 3.37Å; V436-S440 WeakPolarHBondContact O-CB 3.29Å; V436-S440 PolarHBondContact O-N 3.15Å; V436-S440 PolarHBondContact O-OG 3.03Å
437	K	94.6	Very high	91.6	Very high	132 Å²	132	70.2 Å²	70.2	57%	0.574	38%	0.375	S	S	*	.	H	α-helix	trans	-61.5	-49.4	177	-172.7	-172.7	178.3	-153.7	0	111.3	E433 E434 A439 S440 E441	E433-K437 WeakPolarHBondContact O-CB 3.48Å; E433-K437 PolarHBondContact O-N 3.49Å; E434-K437 WeakPolarHBondContact O-CB 3.34Å; E434-K437 PolarHBondContact O-N 3.39Å; K437-A439 VanDerWaalsContact C-N 3.3Å; K437-A439 PolarHBondContact O-N 2.71Å; K437-S440 WeakPolarHBondContact O-CB 3.45Å; K437-S440 PolarHBondContact O-N 3.09Å; K437-E441 WeakPolarHBondContact CE-OE1 3.29Å; K437-E441 IonicContact NZ-OE1 3.7Å; K437-E441 WeakPolarHBondContact O-CG 3.4Å; K437-E441 PolarHBondContact O-N 2.96Å
438	E	92.6	Very high	91.6	Very high	66 Å²	66	70.4 Å²	70.4	31%	0.308	37%	0.374	S	S	.	.	H	α-helix	trans	-54.8	-45.1	176.5	-73.8	177.4	141.3	0	0	111.5	K373 E434 E441	K373-E438 WeakPolarHBondContact CE-OE2 3.25Å; K373-E438 IonicContact NZ-OE1 3.98Å; K373-E438 PolarHBondContact NZ-OE1 2.83Å; K373-E438 VanDerWaalsContact NZ-OE1 3.09Å; K373-E438 IonicContact NZ-OE2 3.27Å; K373-E438 PolarHBondContact NZ-OE2 3.13Å; E434-E438 WeakPolarHBondContact O-CG 3.13Å; E434-E438 PolarHBondContact O-N 2.87Å; E438-E441 PolarHBondContact O-N 2.94Å
439	A	92.4	Very high	91.7	Very high	0 Å²	0	69.4 Å²	69.4	0%	0	37%	0.367	C	S	.	.	H	α-helix	trans	-69.4	-34	177.2	0	0	0	0	0	113.1	Q377 M380 F435 V436 K437 E441 I442 F445 L758	Q377-A439 HydrophobicContact CB-CB 4.29Å; Q377-A439 HydrophobicContact CG-CB 3.79Å; M380-A439 HydrophobicContact CE-CB 4.45Å; M380-A439 HydrophobicContact SD-CB 3.88Å; F435-A439 PolarHBondContact O-N 3.44Å; F435-A439 VanDerWaalsContact O-N 3.13Å; V436-A439 PolarHBondContact O-N 3.37Å; K437-A439 VanDerWaalsContact C-N 3.3Å; K437-A439 PolarHBondContact O-N 2.71Å; A439-E441 VanDerWaalsContact C-N 3.25Å; A439-E441 PolarHBondContact O-N 2.94Å; A439-I442 HydrophobicContact CB-CD1 4.49Å; A439-I442 WeakPolarHBondContact O-CB 3.48Å; A439-I442 WeakPolarHBondContact O-CG1 3Å; A439-I442 PolarHBondContact O-N 3.27Å; A439-F445 HydrophobicContact CB-CD1 4.17Å; A439-F445 HydrophobicContact CB-CE1 3.81Å; A439-F445 WeakPolarHBondContact O-CD1 3.36Å; A439-L758 HydrophobicContact CB-CD1 4.34Å
440	S	93.5	Very high	92	Very high	45 Å²	45	69.1 Å²	69.1	32%	0.315	36%	0.356	S	S	.	.	H	α-helix	trans	-69.7	-23.7	178.5	-57.7	0	0	0	0	113	V436 K437 I442	V436-S440 WeakPolarHBondContact O-CB 3.29Å; V436-S440 PolarHBondContact O-N 3.15Å; V436-S440 PolarHBondContact O-OG 3.03Å; K437-S440 WeakPolarHBondContact O-CB 3.45Å; K437-S440 PolarHBondContact O-N 3.09Å; S440-I442 VanDerWaalsContact C-N 3.29Å
441	E	94.5	Very high	92.1	Very high	130 Å²	130	72.2 Å²	72.2	61%	0.607	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-12.2	175	-71	173.8	178.1	0	0	112.5	K437 E438 A439	K437-E441 WeakPolarHBondContact CE-OE1 3.29Å; K437-E441 IonicContact NZ-OE1 3.7Å; K437-E441 WeakPolarHBondContact O-CG 3.4Å; K437-E441 PolarHBondContact O-N 2.96Å; E438-E441 PolarHBondContact O-N 2.94Å; A439-E441 VanDerWaalsContact C-N 3.25Å; A439-E441 PolarHBondContact O-N 2.94Å
442	I	92.6	Very high	92	Very high	42 Å²	42	69.4 Å²	69.4	22%	0.215	35%	0.35	C	S	.	.	S	Bend	trans	-69.1	127.3	177.2	-59.5	174.2	0	0	0	109.6	A439 S440 N444 F445 T757 L758	A439-I442 HydrophobicContact CB-CD1 4.49Å; A439-I442 WeakPolarHBondContact O-CB 3.48Å; A439-I442 WeakPolarHBondContact O-CG1 3Å; A439-I442 PolarHBondContact O-N 3.27Å; S440-I442 VanDerWaalsContact C-N 3.29Å; I442-N444 PolarHBondContact O-N 3.38Å; I442-F445 HydrophobicContact CB-CB 3.88Å; I442-F445 HydrophobicContact CG2-CB 4.07Å; I442-F445 WeakPolarHBondContact O-CB 3.17Å; I442-F445 PolarHBondContact O-N 3.31Å; I442-T757 HydrophobicContact CG2-CG2 3.97Å; I442-T757 WeakPolarHBondContact CG2-O 3.21Å; I442-L758 HydrophobicContact CD1-CD1 3.77Å
443	P	92	Very high	91.7	Very high	99 Å²	99	72.1 Å²	72.1	64%	0.643	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	133.2	180	-26.3	34.3	0	0	0	112.7	F445 T757	P443-F445 PolarHBondContact O-N 3.14Å; P443-T757 WeakPolarHBondContact O-CG2 3.42Å
444	N	91.8	Very high	91.1	Very high	105 Å²	105	68.6 Å²	68.6	56%	0.561	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	62	0.5	178.1	-49.2	-36.9	0	0	0	116.1	I442 E447 E448	I442-N444 PolarHBondContact O-N 3.38Å; N444-E447 PolarHBondContact O-N 3.1Å; N444-E448 WeakPolarHBondContact O-CG 3.29Å; N444-E448 PolarHBondContact O-N 2.89Å; N444-E448 VanDerWaalsContact O-N 3.09Å
445	F	92.7	Very high	90.2	Very high	0 Å²	0	65.6 Å²	65.6	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-63.4	-49.4	-174.3	176.4	-114.1	0	0	0	112.5	M380 I381 A439 I442 P443 E447 E448 V449 T757 L758	M380-F445 HydrophobicContact CB-CE1 4.37Å; M380-F445 HydrophobicContact CB-CZ 4.38Å; M380-F445 HydrophobicContact CE-CE1 3.88Å; M380-F445 HydrophobicContact SD-CE1 4.15Å; I381-F445 HydrophobicContact CD1-CE2 4.06Å; I381-F445 HydrophobicContact CD1-CZ 4.43Å; I381-F445 HydrophobicContact CG1-CE2 3.86Å; I381-F445 HydrophobicContact CG1-CZ 3.89Å; A439-F445 HydrophobicContact CB-CD1 4.17Å; A439-F445 HydrophobicContact CB-CE1 3.81Å; A439-F445 WeakPolarHBondContact O-CD1 3.36Å; I442-F445 HydrophobicContact CB-CB 3.88Å; I442-F445 HydrophobicContact CG2-CB 4.07Å; I442-F445 WeakPolarHBondContact O-CB 3.17Å; I442-F445 PolarHBondContact O-N 3.31Å; P443-F445 PolarHBondContact O-N 3.14Å; F445-E447 VanDerWaalsContact C-N 3.28Å; F445-E447 PolarHBondContact O-N 2.81Å; F445-E448 PolarHBondContact O-N 3.18Å; F445-V449 HydrophobicContact CD1-CG2 4.33Å; F445-V449 HydrophobicContact CD2-CG2 4.15Å; F445-V449 HydrophobicContact CE1-CG2 3.94Å; F445-V449 HydrophobicContact CE2-CG2 3.71Å; F445-V449 HydrophobicContact CG-CG2 4.44Å; F445-V449 HydrophobicContact CZ-CG2 3.62Å; F445-V449 VanDerWaalsContact O-CG2 3.31Å; F445-V449 WeakPolarHBondContact O-CG2 3.44Å; F445-V449 PolarHBondContact O-N 3.37Å; F445-T757 HydrophobicContact CB-CG2 3.9Å; F445-T757 HydrophobicContact CD2-CG2 4.48Å; F445-L758 HydrophobicContact CD2-CB 4.12Å; F445-L758 HydrophobicContact CE2-CB 3.78Å; F445-L758 HydrophobicContact CE2-CD1 4.13Å; F445-L758 HydrophobicContact CE2-CD2 4.47Å; F445-L758 HydrophobicContact CE2-CG 4.34Å; F445-L758 HydrophobicContact CZ-CD1 4.2Å
446	L	92.9	Very high	88.9	Confident	87 Å²	87	66 Å²	66	46%	0.455	34%	0.338	S	S	.	.	H	α-helix	trans	-63.8	-34.3	-179.4	-65.5	179.4	0	0	0	112.6	M380 V449 E450	M380-L446 HydrophobicContact CE-CD2 3.93Å; L446-V449 PolarHBondContact O-N 2.84Å; L446-E450 PolarHBondContact O-N 3.12Å
447	E	92.8	Very high	87.3	Confident	121 Å²	121	66.7 Å²	66.7	57%	0.565	35%	0.349	S	S	*	.	H	α-helix	trans	-65.7	-45.3	175.8	-63.1	-176	-173.9	0	0	111.2	N444 F445 E450 K451	N444-E447 PolarHBondContact O-N 3.1Å; F445-E447 VanDerWaalsContact C-N 3.28Å; F445-E447 PolarHBondContact O-N 2.81Å; E447-E450 PolarHBondContact O-N 3.46Å; E447-K451 WeakPolarHBondContact O-CG 3.36Å; E447-K451 PolarHBondContact O-N 3.13Å
448	E	91.8	Very high	85.1	Confident	37 Å²	37	69 Å²	69	17%	0.173	36%	0.362	C	S	.	.	H	α-helix	trans	-66.1	-36.1	176.3	-68	-52.9	134.1	0	0	112.5	N444 F445 E450 K451 C452 A753 A754	N444-E448 WeakPolarHBondContact O-CG 3.29Å; N444-E448 PolarHBondContact O-N 2.89Å; N444-E448 VanDerWaalsContact O-N 3.09Å; F445-E448 PolarHBondContact O-N 3.18Å; E448-E450 VanDerWaalsContact C-N 3.35Å; E448-K451 PolarHBondContact O-N 2.71Å; E448-K451 IonicContact OE1-NZ 3.08Å; E448-K451 PolarHBondContact OE1-NZ 2.84Å; E448-C452 PolarHBondContact O-N 3.3Å; E448-C452 PolarHBondContact O-SG 3.04Å; E448-A753 WeakPolarHBondContact OE2-CB 3.45Å; E448-A754 HydrophobicContact CB-CB 4.1Å
449	V	90.8	Very high	83	Confident	6 Å²	6	69.2 Å²	69.2	4%	0.036	38%	0.381	C	S	.	.	H	α-helix	trans	-61.1	-44.1	173.1	168	0	0	0	0	111	M380 I381 F445 L446 C452 R453 A754	M380-V449 WeakPolarHBondContact O-CG1 3.35Å; I381-V449 HydrophobicContact CG1-CG2 4.1Å; F445-V449 HydrophobicContact CD1-CG2 4.33Å; F445-V449 HydrophobicContact CD2-CG2 4.15Å; F445-V449 HydrophobicContact CE1-CG2 3.94Å; F445-V449 HydrophobicContact CE2-CG2 3.71Å; F445-V449 HydrophobicContact CG-CG2 4.44Å; F445-V449 HydrophobicContact CZ-CG2 3.62Å; F445-V449 VanDerWaalsContact O-CG2 3.31Å; F445-V449 WeakPolarHBondContact O-CG2 3.44Å; F445-V449 PolarHBondContact O-N 3.37Å; L446-V449 PolarHBondContact O-N 2.84Å; V449-C452 WeakPolarHBondContact O-CB 3.23Å; V449-C452 PolarHBondContact O-N 2.9Å; V449-R453 WeakPolarHBondContact O-CB 3.39Å; V449-R453 PolarHBondContact O-N 3.22Å; V449-A754 HydrophobicContact CG2-CB 4.42Å
450	E	89.5	Confident	80.7	Confident	88 Å²	88	74.3 Å²	74.3	41%	0.411	42%	0.417	S	S	.	.	H	α-helix	trans	-69.4	-35.7	179.6	-166.1	56.1	-147.3	0	0	111.9	L446 E447 E448 R453 T454	L446-E450 PolarHBondContact O-N 3.12Å; E447-E450 PolarHBondContact O-N 3.46Å; E448-E450 VanDerWaalsContact C-N 3.35Å; E450-R453 PolarHBondContact O-N 2.89Å; E450-R453 IonicContact OE2-CZ 3.93Å; E450-R453 IonicContact OE2-NH1 3.39Å; E450-R453 PolarHBondContact OE2-NH1 3.33Å; E450-T454 WeakPolarHBondContact O-CG2 3.24Å; E450-T454 PolarHBondContact O-N 3.24Å; E450-T454 PolarHBondContact O-OG1 3.01Å
451	K	88.3	Confident	78.3	Confident	109 Å²	109	74.6 Å²	74.6	47%	0.474	43%	0.427	S	S	.	.	H	α-helix	trans	-60.4	-43.4	169.3	-70	173	-167.3	169.6	0	111.9	E447 E448 R453 T454 A455	E447-K451 WeakPolarHBondContact O-CG 3.36Å; E447-K451 PolarHBondContact O-N 3.13Å; E448-K451 PolarHBondContact O-N 2.71Å; E448-K451 IonicContact OE1-NZ 3.08Å; E448-K451 PolarHBondContact OE1-NZ 2.84Å; K451-R453 VanDerWaalsContact C-N 3.34Å; K451-R453 PolarHBondContact O-N 3.09Å; K451-T454 WeakPolarHBondContact CA-OG1 3.06Å; K451-T454 PolarHBondContact O-OG1 3Å; K451-A455 VanDerWaalsContact O-CB 3.31Å; K451-A455 WeakPolarHBondContact O-CB 3.42Å; K451-A455 PolarHBondContact O-N 2.91Å; K451-A455 VanDerWaalsContact O-N 3.11Å
452	C	85.1	Confident	76	Confident	5 Å²	5	74.4 Å²	74.4	3%	0.034	44%	0.437	C	S	.	.	H	α-helix	trans	-62.9	-42.1	176.1	-68.8	0	0	0	0	111.6	E448 V449 A455 S456 K750 L751	E448-C452 PolarHBondContact O-N 3.3Å; E448-C452 PolarHBondContact O-SG 3.04Å; V449-C452 WeakPolarHBondContact O-CB 3.23Å; V449-C452 PolarHBondContact O-N 2.9Å; C452-A455 PolarHBondContact O-N 2.81Å; C452-S456 WeakPolarHBondContact O-CB 3.34Å; C452-S456 PolarHBondContact O-N 3.22Å; C452-S456 VanDerWaalsContact O-N 3.11Å; C452-S456 PolarHBondContact O-OG 3.07Å; C452-K750 PolarHBondContact SG-O 2.86Å; C452-L751 HydrophobicContact CB-CD2 4.14Å
453	R	83.3	Confident	73.9	Confident	124 Å²	124	75.2 Å²	75.2	47%	0.468	45%	0.45	S	S	.	.	H	α-helix	trans	-66.1	-48.6	-178.6	-172.3	179.6	-66.5	154.9	-4.2	112.1	V449 E450 K451 A455 S456 A457	V449-R453 WeakPolarHBondContact O-CB 3.39Å; V449-R453 PolarHBondContact O-N 3.22Å; E450-R453 PolarHBondContact O-N 2.89Å; E450-R453 IonicContact OE2-CZ 3.93Å; E450-R453 IonicContact OE2-NH1 3.39Å; E450-R453 PolarHBondContact OE2-NH1 3.33Å; K451-R453 VanDerWaalsContact C-N 3.34Å; K451-R453 PolarHBondContact O-N 3.09Å; R453-A455 VanDerWaalsContact C-N 3.31Å; R453-A455 PolarHBondContact O-N 3.37Å; R453-S456 PolarHBondContact O-N 3.21Å; R453-S456 VanDerWaalsContact O-N 3.12Å; R453-A457 PolarHBondContact O-N 3.04Å; R453-A457 VanDerWaalsContact O-N 3.07Å
454	T	81.4	Confident	72.2	Confident	82 Å²	82	76.4 Å²	76.4	50%	0.503	45%	0.451	S	S	.	.	H	α-helix	trans	-59.8	-41.8	176.5	48.9	0	0	0	0	111.5	E450 K451 S456 A457	E450-T454 WeakPolarHBondContact O-CG2 3.24Å; E450-T454 PolarHBondContact O-N 3.24Å; E450-T454 PolarHBondContact O-OG1 3.01Å; K451-T454 WeakPolarHBondContact CA-OG1 3.06Å; K451-T454 PolarHBondContact O-OG1 3Å; T454-S456 VanDerWaalsContact C-N 3.25Å; T454-S456 PolarHBondContact O-N 2.99Å; T454-A457 PolarHBondContact O-N 2.84Å
455	A	73.9	Confident	70.7	Confident	35 Å²	35	71.9 Å²	71.9	29%	0.289	43%	0.429	S	S	.	.	H	α-helix	trans	-72	-13.4	177.5	0	0	0	0	0	114.9	K451 C452 R453 K750	K451-A455 VanDerWaalsContact O-CB 3.31Å; K451-A455 WeakPolarHBondContact O-CB 3.42Å; K451-A455 PolarHBondContact O-N 2.91Å; K451-A455 VanDerWaalsContact O-N 3.11Å; C452-A455 PolarHBondContact O-N 2.81Å; R453-A455 VanDerWaalsContact C-N 3.31Å; R453-A455 PolarHBondContact O-N 3.37Å; A455-K750 HydrophobicContact CB-CD 4.02Å; A455-K750 PolarHBondContact O-NZ 3.3Å
456	S	66.9	Low	69.6	Low	21 Å²	21	75.5 Å²	75.5	15%	0.147	45%	0.445	C	S	.	.	H	α-helix	trans	-101.1	-18.2	179.6	-55.5	0	0	0	0	113.1	C452 R453 T454 E458 T747	C452-S456 WeakPolarHBondContact O-CB 3.34Å; C452-S456 PolarHBondContact O-N 3.22Å; C452-S456 VanDerWaalsContact O-N 3.11Å; C452-S456 PolarHBondContact O-OG 3.07Å; R453-S456 PolarHBondContact O-N 3.21Å; R453-S456 VanDerWaalsContact O-N 3.12Å; T454-S456 VanDerWaalsContact C-N 3.25Å; T454-S456 PolarHBondContact O-N 2.99Å; S456-E458 PolarHBondContact O-N 3.41Å; S456-T747 WeakPolarHBondContact OG-CG2 3.43Å
457	A	59.9	Low	69.3	Low	66 Å²	66	71.9 Å²	71.9	55%	0.545	43%	0.427	S	S	.	.	G	3₁₀ helix	trans	-68.1	-17.6	-178.2	0	0	0	0	0	114	R453 T454 G459	R453-A457 PolarHBondContact O-N 3.04Å; R453-A457 VanDerWaalsContact O-N 3.07Å; T454-A457 PolarHBondContact O-N 2.84Å; A457-G459 PolarHBondContact O-N 3.38Å; A457-G459 VanDerWaalsContact O-N 3.14Å
458	E	49	Very low	69.2	Low	182 Å²	182	66.9 Å²	66.9	85%	0.85	40%	0.404	S	S	*	.	G	3₁₀ helix	trans	-75.5	8.1	-179.6	-65.4	-174.4	156.3	0	0	114.5	S456	S456-E458 PolarHBondContact O-N 3.41Å
459	G	48.4	Very low	69.4	Low	69 Å²	69	65.2 Å²	65.2	71%	0.711	40%	0.396	S	S	*	.	G	3₁₀ helix	trans	-144	8.7	-175	0	0	0	0	0	118.2	A457 G461	A457-G459 PolarHBondContact O-N 3.38Å; A457-G459 VanDerWaalsContact O-N 3.14Å; G459-G461 PolarHBondContact O-N 2.93Å
460	S	43.6	Very low	69.7	Low	107 Å²	107	65 Å²	65	75%	0.748	39%	0.394	S	S	*	.			trans	-86.8	93	-170.3	63	0	0	0	0	114.4
461	G	43.2	Very low	70.1	Confident	52 Å²	52	60.8 Å²	60.8	54%	0.536	38%	0.375	S	S	.	.			trans	-90	175.6	156.3	0	0	0	0	0	112.3	G459	G459-G461 PolarHBondContact O-N 2.93Å
462	P	45.3	Very low	70.6	Confident	126 Å²	126	55.6 Å²	55.6	82%	0.818	35%	0.352	S	S	*	.			trans	-59.8	152.7	-173.5	21.4	-30.4	0	0	0	114.7	D464	P462-D464 PolarHBondContact O-N 2.9Å
463	A	50.3	Low	71.1	Confident	58 Å²	58	55.3 Å²	55.3	48%	0.479	35%	0.351	S	S	.	.	S	Bend	trans	-80.8	7	-148.4	0	0	0	0	0	118.9	H384	H384-A463 PolarHBondContact CE1-O 3.32Å
464	D	55.2	Low	71.6	Confident	125 Å²	125	49.4 Å²	49.4	67%	0.668	33%	0.328	S	S	*	.			trans	-107.4	59.6	-177.6	-75.2	-29.8	0	0	0	111.8	P462 F466	P462-D464 PolarHBondContact O-N 2.9Å; D464-F466 HydrophobicContact CB-CD2 4.49Å; D464-F466 HydrophobicContact CB-CE2 4.31Å; D464-F466 PolarHBondContact O-N 3.2Å
465	G	61.5	Low	72.1	Confident	10 Å²	10	45.5 Å²	45.5	10%	0.103	30%	0.304	C	S	.	.			trans	-72.8	103	169.2	0	0	0	0	0	110.3	S741	G465-S741 WeakPolarHBondContact O-CB 3.2Å
466	F	68.6	Low	72.8	Confident	75 Å²	75	44.3 Å²	44.3	33%	0.329	29%	0.294	S	S	.	.	S	Bend	trans	-99.8	154	167	-75	-94.8	0	0	0	111.1	D464 H468 N491 V493	D464-F466 HydrophobicContact CB-CD2 4.49Å; D464-F466 HydrophobicContact CB-CE2 4.31Å; D464-F466 PolarHBondContact O-N 3.2Å; F466-H468 AromaticContact CD1-CE1 3.95Å; F466-H468 AromaticContact CD1-ND1 3.54Å; F466-H468 AromaticContact CE1-CE1 3.49Å; F466-H468 VanDerWaalsContact CE1-CE1 3.49Å; F466-H468 WeakPolarHBondContact CE1-CE1 3.37Å; F466-H468 AromaticContact CE1-ND1 3.57Å; F466-H468 AromaticContact CZ-CE1 3.94Å; F466-N491 HydrophobicContact CD1-CB 4.42Å; F466-N491 HydrophobicContact CE1-CB 4.11Å; F466-V493 HydrophobicContact CB-CB 3.92Å; F466-V493 HydrophobicContact CB-CG2 3.19Å; F466-V493 HydrophobicContact CD1-CG2 3.62Å; F466-V493 HydrophobicContact CD2-CG2 3.45Å; F466-V493 VanDerWaalsContact CD2-CG2 3.45Å; F466-V493 HydrophobicContact CE1-CG2 4.22Å; F466-V493 HydrophobicContact CE2-CG2 4.09Å; F466-V493 HydrophobicContact CG-CB 4.29Å; F466-V493 HydrophobicContact CG-CG2 3.17Å; F466-V493 HydrophobicContact CZ-CG2 4.43Å
467	P	86.8	Confident	73.5	Confident	12 Å²	12	45.9 Å²	45.9	8%	0.078	31%	0.308	C	S	.	.	S	Bend	cis	-66.8	156.8	-9.2	33.1	-38.5	0	0	0	111.5	N491 W647 F742	P467-N491 VanDerWaalsContact CA-O 3.3Å; P467-N491 WeakPolarHBondContact CA-O 3.39Å; P467-N491 WeakPolarHBondContact CB-O 3.38Å; P467-W647 HydrophobicContact CB-CH2 4.43Å; P467-W647 HydrophobicContact CB-CZ2 3.89Å; P467-W647 HydrophobicContact CG-CD2 4.19Å; P467-W647 HydrophobicContact CG-CZ2 3.88Å; P467-F742 HydrophobicContact CG-CD2 3.73Å; P467-F742 HydrophobicContact CG-CE1 4.12Å; P467-F742 HydrophobicContact CG-CE2 3.21Å; P467-F742 HydrophobicContact CG-CG 4.37Å; P467-F742 HydrophobicContact CG-CZ 3.45Å; P467-F742 VanDerWaalsContact CG-CZ 3.45Å
468	H	91.3	Very high	74.3	Confident	16 Å²	16	44.2 Å²	44.2	7%	0.074	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	148.4	170.6	68.6	-90.9	0	0	0	111.1	F466 N491 K739 V740	F466-H468 AromaticContact CD1-CE1 3.95Å; F466-H468 AromaticContact CD1-ND1 3.54Å; F466-H468 AromaticContact CE1-CE1 3.49Å; F466-H468 VanDerWaalsContact CE1-CE1 3.49Å; F466-H468 WeakPolarHBondContact CE1-CE1 3.37Å; F466-H468 AromaticContact CE1-ND1 3.57Å; F466-H468 AromaticContact CZ-CE1 3.94Å; H468-N491 PolarHBondContact CD2-ND2 3.19Å; H468-N491 VanDerWaalsContact CE1-CB 3.44Å; H468-N491 WeakPolarHBondContact CE1-CB 3.38Å; H468-N491 PolarHBondContact N-O 2.82Å; H468-N491 VanDerWaalsContact N-O 3.12Å; H468-N491 PolarHBondContact NE2-ND2 3.39Å; H468-N491 PolarHBondContact O-N 2.97Å; H468-K739 VanDerWaalsContact CD2-CE 3.43Å; H468-K739 WeakPolarHBondContact CD2-CE 3.42Å; H468-V740 CarbonylContact C-O 3.54Å; H468-V740 VanDerWaalsContact CA-O 3.24Å; H468-V740 WeakPolarHBondContact CA-O 3.29Å; H468-V740 WeakPolarHBondContact CB-O 3.2Å
469	V	95.9	Very high	75.4	Confident	2 Å²	2	36 Å²	36	1%	0.012	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	131.9	-178.1	-175	0	0	0	0	108.7	F471 T488 L489 V490 L649 L670 I672 K739 V740	V469-F471 HydrophobicContact CB-CE2 4.27Å; V469-F471 HydrophobicContact CB-CZ 4.42Å; V469-F471 HydrophobicContact CG1-CD2 4.38Å; V469-F471 HydrophobicContact CG1-CE1 4.19Å; V469-F471 HydrophobicContact CG1-CE2 3.83Å; V469-F471 HydrophobicContact CG1-CZ 3.7Å; V469-T488 HydrophobicContact CG1-CG2 3.37Å; V469-L489 CarbonylContact C-O 3.6Å; V469-L489 WeakPolarHBondContact CA-O 3.37Å; V469-V490 HydrophobicContact CG1-CG2 4.4Å; V469-V490 HydrophobicContact CG2-CG2 4.33Å; V469-L649 HydrophobicContact CG2-CD1 4.3Å; V469-L670 HydrophobicContact CG2-CD2 3.87Å; V469-I672 HydrophobicContact CG1-CD1 4.13Å; V469-K739 CarbonylContact O-C 3.49Å; V469-K739 WeakPolarHBondContact O-CA 3.5Å; V469-V740 PolarHBondContact N-O 2.9Å; V469-V740 PolarHBondContact O-N 3.4Å
470	V	97.4	Very high	76.7	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	117.2	173.8	-177.2	0	0	0	0	108.7	L472 L489 M738 K739	V470-L472 HydrophobicContact CG1-CD2 3.88Å; V470-L472 HydrophobicContact CG1-CG 4.36Å; V470-L472 PolarHBondContact O-N 3.14Å; V470-L489 HydrophobicContact CB-CB 4.33Å; V470-L489 PolarHBondContact N-O 3.15Å; V470-L489 PolarHBondContact O-N 3.24Å; V470-M738 WeakPolarHBondContact CA-O 3.24Å; V470-K739 HydrophobicContact CG2-CB 4.43Å; V470-K739 HydrophobicContact CG2-CG 4.22Å
471	F	97.8	Very high	78.4	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	101.2	177	-63.5	-86.6	0	0	0	108.7	V469 T474 T488 I672 M709 F735 D736 H737 M738 V740	V469-F471 HydrophobicContact CB-CE2 4.27Å; V469-F471 HydrophobicContact CB-CZ 4.42Å; V469-F471 HydrophobicContact CG1-CD2 4.38Å; V469-F471 HydrophobicContact CG1-CE1 4.19Å; V469-F471 HydrophobicContact CG1-CE2 3.83Å; V469-F471 HydrophobicContact CG1-CZ 3.7Å; F471-T474 HydrophobicContact CB-CG2 3.79Å; F471-T474 HydrophobicContact CD1-CG2 4.49Å; F471-T474 HydrophobicContact CG-CG2 4.46Å; F471-T488 HydrophobicContact CD1-CG2 3.94Å; F471-T488 HydrophobicContact CE1-CG2 3.95Å; F471-I672 HydrophobicContact CE1-CD1 4.06Å; F471-I672 HydrophobicContact CE1-CG1 4.46Å; F471-I672 HydrophobicContact CE1-CG2 4.18Å; F471-I672 HydrophobicContact CZ-CD1 4.17Å; F471-M709 HydrophobicContact CE1-CG 3.95Å; F471-M709 HydrophobicContact CE2-CE 4.17Å; F471-M709 HydrophobicContact CE2-CG 4.3Å; F471-M709 HydrophobicContact CZ-CB 4.43Å; F471-M709 HydrophobicContact CZ-CE 4.25Å; F471-M709 HydrophobicContact CZ-CG 3.57Å; F471-M709 HydrophobicContact CZ-SD 4.42Å; F471-F735 WeakPolarHBondContact CB-O 3.36Å; F471-D736 CarbonylContact O-C 3.11Å; F471-D736 WeakPolarHBondContact O-CA 3.3Å; F471-H737 WeakPolarHBondContact O-CA 3.43Å; F471-H737 PolarHBondContact O-N 3.45Å; F471-M738 HydrophobicContact CD2-CB 4.14Å; F471-M738 HydrophobicContact CD2-CG 4.48Å; F471-M738 HydrophobicContact CD2-SD 4.35Å; F471-M738 PolarHBondContact N-O 2.76Å; F471-V740 HydrophobicContact CE2-CG2 4.24Å
472	L	97.2	Very high	80.1	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	-28.6	-177.6	-61.4	167.1	0	0	0	111.8	V470 G487 L489 L501 T508 Q511 L512	V470-L472 HydrophobicContact CG1-CD2 3.88Å; V470-L472 HydrophobicContact CG1-CG 4.36Å; V470-L472 PolarHBondContact O-N 3.14Å; L472-G487 WeakPolarHBondContact CA-O 2.99Å; L472-G487 WeakPolarHBondContact CB-O 3.35Å; L472-G487 PolarHBondContact N-O 2.96Å; L472-L489 HydrophobicContact CD1-CB 4.04Å; L472-L501 HydrophobicContact CD1-CD1 4.14Å; L472-T508 HydrophobicContact CD1-CG2 3.81Å; L472-Q511 HydrophobicContact CB-CB 3.97Å; L472-Q511 HydrophobicContact CD2-CB 4.18Å; L472-Q511 VanDerWaalsContact O-CG 3.24Å; L472-Q511 WeakPolarHBondContact O-CG 3.44Å; L472-Q511 PolarHBondContact O-NE2 3.3Å; L472-L512 HydrophobicContact CD1-CD2 3.59Å; L472-L512 HydrophobicContact CD1-CG 3.82Å; L472-L512 HydrophobicContact CD2-CD2 3.89Å; L472-L512 HydrophobicContact CD2-CG 4.3Å; L472-L512 HydrophobicContact CG-CD2 4.4Å
473	G	95.4	Very high	82.2	Confident	0 Å²	0	26 Å²	26	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	137.4	173.2	0	0	0	0	0	111.5	V485 G487 D736	G473-V485 VanDerWaalsContact CA-O 3.28Å; G473-V485 WeakPolarHBondContact CA-O 3.15Å; G473-G487 PolarHBondContact N-O 2.8Å; G473-G487 PolarHBondContact O-N 3.41Å; G473-D736 WeakPolarHBondContact CA-OD1 3.32Å
474	T	94.8	Very high	84.2	Confident	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.129	C	C	.	.			trans	-127.6	7.7	-166.1	57.2	0	0	0	0	114.2	F471 R483 N484 N711 H712 F713 D736	F471-T474 HydrophobicContact CB-CG2 3.79Å; F471-T474 HydrophobicContact CD1-CG2 4.49Å; F471-T474 HydrophobicContact CG-CG2 4.46Å; T474-R483 PolarHBondContact OG1-NH1 3.3Å; T474-N484 PolarHBondContact N-O 3.44Å; T474-N711 VanDerWaalsContact CA-OD1 3.24Å; T474-N711 WeakPolarHBondContact CA-OD1 3.34Å; T474-N711 WeakPolarHBondContact CB-OD1 3.43Å; T474-N711 WeakPolarHBondContact CG2-OD1 3.33Å; T474-H712 CarbonylContact O-C 3.3Å; T474-H712 VanDerWaalsContact O-CA 3.24Å; T474-H712 WeakPolarHBondContact O-CA 3.24Å; T474-H712 PolarHBondContact O-N 2.83Å; T474-H712 VanDerWaalsContact O-N 3.12Å; T474-F713 PolarHBondContact O-N 3.35Å; T474-D736 WeakPolarHBondContact CB-OD1 3.46Å; T474-D736 PolarHBondContact N-OD1 2.86Å; T474-D736 PolarHBondContact OG1-OD1 2.89Å
475	G	91.5	Very high	86.1	Confident	0 Å²	0	17.5 Å²	17.5	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	157.3	-176.1	0	0	0	0	0	113.6	N484 V485 F713	G475-N484 WeakPolarHBondContact CA-O 3.44Å; G475-N484 PolarHBondContact N-O 2.83Å; G475-V485 WeakPolarHBondContact O-CA 3.39Å; G475-F713 WeakPolarHBondContact CA-O 3.46Å
476	S	88.4	Confident	87.7	Confident	10 Å²	10	17.1 Å²	17.1	7%	0.07	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	147.3	-178.9	171.2	0	0	0	0	113.7	I478 H712 F713	S476-I478 VanDerWaalsContact C-N 3.31Å; S476-I478 PolarHBondContact O-N 2.9Å; S476-H712 WeakPolarHBondContact CA-NE2 3.48Å; S476-H712 WeakPolarHBondContact CB-CE1 3.17Å; S476-H712 PolarHBondContact OG-CE1 2.91Å; S476-F713 PolarHBondContact N-O 3.05Å
477	A	82.9	Confident	89.1	Confident	53 Å²	53	13.6 Å²	13.6	44%	0.438	8%	0.078	S	C	.	.	S	Bend	trans	65.6	-57	167.1	0	0	0	0	0	117.6	D538	A477-D538 WeakPolarHBondContact CA-OD2 3.5Å; A477-D538 PolarHBondContact N-OD2 2.92Å
478	I	76.9	Confident	89.6	Confident	31 Å²	31	13 Å²	13	16%	0.159	7%	0.074	C	C	.	.	S	Bend	trans	-129.4	124.5	-173.1	-60.2	179.1	0	0	0	108.6	Q73 S476 M480 Q715	Q73-I478 VanDerWaalsContact NE2-CG2 3.28Å; S476-I478 VanDerWaalsContact C-N 3.31Å; S476-I478 PolarHBondContact O-N 2.9Å; I478-M480 PolarHBondContact O-N 3.27Å; I478-Q715 PolarHBondContact O-NE2 2.8Å; I478-Q715 PolarHBondContact O-OE1 3.04Å
479	P	70.3	Confident	90	Very high	10 Å²	10	12.2 Å²	12.2	7%	0.065	7%	0.071	C	C	.	.			trans	-58.5	123.1	172.8	-13.5	23.7	0	0	0	109.8	Q73 R74 Q77 V485	Q73-P479 PolarHBondContact NE2-O 3.08Å; R74-P479 HydrophobicContact CB-CB 4.1Å; R74-P479 HydrophobicContact CG-CB 4.05Å; Q77-P479 PolarHBondContact OE1-O 3.32Å; P479-V485 HydrophobicContact CB-CG1 4.28Å; P479-V485 HydrophobicContact CG-CG1 3.68Å; P479-V485 HydrophobicContact CG-CG2 4.31Å
480	M	76	Confident	90	Very high	56 Å²	56	12.2 Å²	12.2	28%	0.276	7%	0.07	S	C	.	.			trans	-113.4	-175.8	171.6	-55.8	-143	-42	0	0	111.6	R74 I478 T482 R483 Q715	R74-M480 PolarHBondContact NE-O 3.4Å; R74-M480 PolarHBondContact NH2-O 3.17Å; I478-M480 PolarHBondContact O-N 3.27Å; M480-T482 VanDerWaalsContact C-N 3.3Å; M480-T482 PolarHBondContact O-N 3.02Å; M480-R483 PolarHBondContact N-O 3.44Å; M480-Q715 HydrophobicContact CB-CB 4.29Å; M480-Q715 HydrophobicContact CE-CB 3.94Å; M480-Q715 WeakPolarHBondContact CE-O 3.4Å; M480-Q715 HydrophobicContact CG-CB 3.63Å; M480-Q715 HydrophobicContact CG-CG 4.39Å; M480-Q715 HydrophobicContact SD-CB 4.04Å
481	K	79.6	Confident	89.8	Confident	55 Å²	55	12.5 Å²	12.5	24%	0.239	7%	0.072	C	C	.	.	S	Bend	trans	-51.3	-44.3	-177.5	-68.8	173.9	171.3	-164.2	0	113.7	Q77 E78	Q77-K481 WeakPolarHBondContact O-CE 3.36Å; E78-K481 WeakPolarHBondContact OE2-CG 3.48Å
482	T	79.5	Confident	89.4	Confident	25 Å²	25	12.6 Å²	12.6	15%	0.153	7%	0.073	C	C	.	.	S	Bend	trans	-107.3	-26.3	-166.6	56.9	0	0	0	0	113.7	I374 M480	I374-T482 HydrophobicContact CD1-CG2 3.28Å; M480-T482 VanDerWaalsContact C-N 3.3Å; M480-T482 PolarHBondContact O-N 3.02Å
483	R	88.9	Confident	88.2	Confident	7 Å²	7	16.1 Å²	16.1	3%	0.026	9%	0.094	C	C	.	.			trans	-129.8	133.2	178.9	-63.8	-177.8	-177.8	-91.9	1.7	110.3	T474 M480 Q715 K719 S734 D736	T474-R483 PolarHBondContact OG1-NH1 3.3Å; M480-R483 PolarHBondContact N-O 3.44Å; R483-Q715 HydrophobicContact CB-CG 4.5Å; R483-Q715 PolarHBondContact O-NE2 2.8Å; R483-Q715 PolarHBondContact O-OE1 2.87Å; R483-K719 PolarHBondContact NE-O 3.47Å; R483-K719 PolarHBondContact NH2-O 2.75Å; R483-S734 PolarHBondContact NH1-O 2.97Å; R483-D736 WeakPolarHBondContact CA-OD2 3.27Å
484	N	93.1	Very high	86.6	Confident	4 Å²	4	16.9 Å²	16.9	2%	0.021	10%	0.099	C	C	.	.	P	Polyproline II helix	trans	-81.1	166.3	168.1	-156.4	53.1	0	0	0	110.5	R74 T474 G475 E506 Q511 D736	R74-N484 PolarHBondContact NH1-OD1 2.69Å; T474-N484 PolarHBondContact N-O 3.44Å; G475-N484 WeakPolarHBondContact CA-O 3.44Å; G475-N484 PolarHBondContact N-O 2.83Å; N484-E506 PolarHBondContact ND2-O 3.18Å; N484-E506 PolarHBondContact OD1-O 3.06Å; N484-Q511 HydrophobicContact CB-CG 4.19Å; N484-D736 WeakPolarHBondContact CB-OD2 3.43Å; N484-D736 PolarHBondContact N-OD2 3.3Å
485	V	93.9	Very high	84.7	Confident	2 Å²	2	23.5 Å²	23.5	1%	0.012	15%	0.146	C	C	.	.	B	Isolated β-bridge	trans	-69.4	164.3	172.2	-69.6	0	0	0	0	112.3	G473 G475 P479 G487 E506 D538	G473-V485 VanDerWaalsContact CA-O 3.28Å; G473-V485 WeakPolarHBondContact CA-O 3.15Å; G475-V485 WeakPolarHBondContact O-CA 3.39Å; P479-V485 HydrophobicContact CB-CG1 4.28Å; P479-V485 HydrophobicContact CG-CG1 3.68Å; P479-V485 HydrophobicContact CG-CG2 4.31Å; V485-G487 PolarHBondContact O-N 2.89Å; V485-E506 HydrophobicContact CG2-CB 4.14Å; V485-E506 VanDerWaalsContact CG2-N 3.35Å; V485-E506 WeakPolarHBondContact CG2-O 3.33Å; V485-D538 HydrophobicContact CB-CB 3.85Å; V485-D538 HydrophobicContact CG1-CB 3.68Å
486	S	95.8	Very high	83.3	Confident	2 Å²	2	27.3 Å²	27.3	1%	0.014	17%	0.172	C	C	.	.	S	Bend	trans	-49.7	126.7	-169	-166.8	0	0	0	0	114.2	D503 G505 D538	S486-D503 PolarHBondContact OG-OD2 3Å; S486-G505 PolarHBondContact O-N 3.28Å; S486-D538 PolarHBondContact N-O 3.03Å
487	G	97.6	Very high	82.7	Confident	0 Å²	0	28.8 Å²	28.8	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-170.5	120.1	168.8	0	0	0	0	0	110.4	L472 G473 V485	L472-G487 WeakPolarHBondContact CA-O 2.99Å; L472-G487 WeakPolarHBondContact CB-O 3.35Å; L472-G487 PolarHBondContact N-O 2.96Å; G473-G487 PolarHBondContact N-O 2.8Å; G473-G487 PolarHBondContact O-N 3.41Å; V485-G487 PolarHBondContact O-N 2.89Å
488	T	98.4	Very high	83.1	Confident	0 Å²	0	27.6 Å²	27.6	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	119.2	-176	-57.7	0	0	0	0	110.7	V469 F471 L502 I672	V469-T488 HydrophobicContact CG1-CG2 3.37Å; F471-T488 HydrophobicContact CD1-CG2 3.94Å; F471-T488 HydrophobicContact CE1-CG2 3.95Å; T488-L502 PolarHBondContact N-O 2.95Å; T488-L502 PolarHBondContact O-N 3.07Å; T488-I672 HydrophobicContact CG2-CD1 4.09Å
489	L	97.8	Very high	83.9	Confident	0 Å²	0	26.1 Å²	26.1	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	119.3	-178.7	-177	72.5	0	0	0	110.5	V469 V470 L472 L501 L512 Y516 I527	V469-L489 CarbonylContact C-O 3.6Å; V469-L489 WeakPolarHBondContact CA-O 3.37Å; V470-L489 HydrophobicContact CB-CB 4.33Å; V470-L489 PolarHBondContact N-O 3.15Å; V470-L489 PolarHBondContact O-N 3.24Å; L472-L489 HydrophobicContact CD1-CB 4.04Å; L489-L501 HydrophobicContact CB-CD1 4.09Å; L489-L501 HydrophobicContact CD1-CB 4.48Å; L489-L501 HydrophobicContact CD1-CD1 4.07Å; L489-L512 HydrophobicContact CD2-CD2 4.03Å; L489-Y516 HydrophobicContact CD2-CE2 4.02Å; L489-Y516 WeakPolarHBondContact CD2-OH 3.48Å; L489-I527 HydrophobicContact CD1-CD1 4.2Å; L489-I527 HydrophobicContact CD1-CG1 3.98Å
490	V	96.4	Very high	85.2	Confident	1 Å²	1	25.7 Å²	25.7	1%	0.006	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	110.6	175.8	-177.5	0	0	0	0	108.7	V469 I492 S499 L500 L502 F641 L649	V469-V490 HydrophobicContact CG1-CG2 4.4Å; V469-V490 HydrophobicContact CG2-CG2 4.33Å; V490-I492 HydrophobicContact CG1-CG1 4.11Å; V490-S499 CarbonylContact O-C 3.59Å; V490-S499 VanDerWaalsContact O-CA 3.27Å; V490-S499 WeakPolarHBondContact O-CA 3.37Å; V490-L500 PolarHBondContact N-O 3.44Å; V490-L500 PolarHBondContact O-N 2.91Å; V490-L502 HydrophobicContact CG2-CD1 3.81Å; V490-L502 HydrophobicContact CG2-CG 4.28Å; V490-F641 HydrophobicContact CG1-CZ 4.45Å; V490-L649 HydrophobicContact CG1-CD1 4.3Å; V490-L649 HydrophobicContact CG2-CD1 4.04Å
491	N	93.7	Very high	86.2	Confident	7 Å²	7	23 Å²	23	4%	0.037	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	121.7	177.7	-65.8	-57.6	0	0	0	109.8	F466 P467 H468 S499 Y516	F466-N491 HydrophobicContact CD1-CB 4.42Å; F466-N491 HydrophobicContact CE1-CB 4.11Å; P467-N491 VanDerWaalsContact CA-O 3.3Å; P467-N491 WeakPolarHBondContact CA-O 3.39Å; P467-N491 WeakPolarHBondContact CB-O 3.38Å; H468-N491 PolarHBondContact CD2-ND2 3.19Å; H468-N491 VanDerWaalsContact CE1-CB 3.44Å; H468-N491 WeakPolarHBondContact CE1-CB 3.38Å; H468-N491 PolarHBondContact N-O 2.82Å; H468-N491 VanDerWaalsContact N-O 3.12Å; H468-N491 PolarHBondContact NE2-ND2 3.39Å; H468-N491 PolarHBondContact O-N 2.97Å; N491-S499 WeakPolarHBondContact OD1-CB 3.41Å; N491-S499 PolarHBondContact OD1-OG 3.32Å; N491-Y516 PolarHBondContact ND2-OH 3.03Å
492	I	88.9	Confident	87.1	Confident	1 Å²	1	20.4 Å²	20.4	1%	0.005	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	137.5	-173.1	-55.8	173.3	0	0	0	109	V490 C494 Q498 L622 H643 W647	V490-I492 HydrophobicContact CG1-CG1 4.11Å; I492-C494 PolarHBondContact O-N 2.97Å; I492-Q498 PolarHBondContact N-O 3.06Å; I492-Q498 PolarHBondContact O-N 3.47Å; I492-Q498 VanDerWaalsContact O-O 3.09Å; I492-L622 HydrophobicContact CD1-CD2 4.4Å; I492-H643 WeakPolarHBondContact CG2-NE2 3.34Å; I492-W647 HydrophobicContact CD1-CH2 4.33Å; I492-W647 HydrophobicContact CG1-CH2 4.18Å; I492-W647 HydrophobicContact CG1-CZ2 4.33Å; I492-W647 HydrophobicContact CG2-CZ2 4.19Å
493	V	72.1	Confident	88	Confident	74 Å²	74	19.2 Å²	19.2	45%	0.448	13%	0.126	S	C	.	.			trans	-79.7	114.3	168.7	157.1	0	0	0	0	109.9	F466	F466-V493 HydrophobicContact CB-CB 3.92Å; F466-V493 HydrophobicContact CB-CG2 3.19Å; F466-V493 HydrophobicContact CD1-CG2 3.62Å; F466-V493 HydrophobicContact CD2-CG2 3.45Å; F466-V493 VanDerWaalsContact CD2-CG2 3.45Å; F466-V493 HydrophobicContact CE1-CG2 4.22Å; F466-V493 HydrophobicContact CE2-CG2 4.09Å; F466-V493 HydrophobicContact CG-CB 4.29Å; F466-V493 HydrophobicContact CG-CG2 3.17Å; F466-V493 HydrophobicContact CZ-CG2 4.43Å
494	C	61.5	Low	88.4	Confident	16 Å²	16	18.9 Å²	18.9	11%	0.108	12%	0.124	C	C	.	.			trans	-122.5	174.2	163.7	-55.8	0	0	0	0	107.8	I492 S496 S497 Q498 S621	I492-C494 PolarHBondContact O-N 2.97Å; C494-S496 PolarHBondContact O-N 3.15Å; C494-S497 PolarHBondContact O-N 2.98Å; C494-S497 VanDerWaalsContact O-N 3.12Å; C494-Q498 HydrophobicContact CB-CG 4.32Å; C494-S621 VanDerWaalsContact SG-CB 3.59Å; C494-S621 PolarHBondContact SG-OG 3.34Å
495	S	56.4	Low	88.6	Confident	140 Å²	140	18.7 Å²	18.7	98%	0.979	12%	0.123	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.8	-20.6	169.7	-41.8	0	0	0	0	113.7
496	S	61.4	Low	88.6	Confident	79 Å²	79	19 Å²	19	55%	0.552	12%	0.124	S	C	*	.	T	Hydrogen-bonded Turn	trans	-122.3	12.1	178.6	60.6	0	0	0	0	115.1	C494 Q498	C494-S496 PolarHBondContact O-N 3.15Å; S496-Q498 PolarHBondContact OG-NE2 3.23Å
497	S	76.1	Confident	88.4	Confident	41 Å²	41	19.1 Å²	19.1	29%	0.287	13%	0.126	S	C	.	.			trans	46.5	95.9	-176.5	-63.6	0	0	0	0	114.6	C494 R526	C494-S497 PolarHBondContact O-N 2.98Å; C494-S497 VanDerWaalsContact O-N 3.12Å; S497-R526 VanDerWaalsContact O-CG 3.29Å; S497-R526 WeakPolarHBondContact O-CG 3.37Å
498	Q	90.3	Very high	88.4	Confident	28 Å²	28	19.1 Å²	19.1	13%	0.131	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	158.6	-174.5	-64.1	-67.6	-52.7	0	0	111.7	I492 C494 S496 R526 S528 T619	I492-Q498 PolarHBondContact N-O 3.06Å; I492-Q498 PolarHBondContact O-N 3.47Å; I492-Q498 VanDerWaalsContact O-O 3.09Å; C494-Q498 HydrophobicContact CB-CG 4.32Å; S496-Q498 PolarHBondContact OG-NE2 3.23Å; Q498-R526 PolarHBondContact OE1-O 3.15Å; Q498-S528 PolarHBondContact OE1-OG 2.89Å; Q498-T619 HydrophobicContact CG-CG2 4.34Å; Q498-T619 WeakPolarHBondContact CG-O 3.4Å
499	S	94.6	Very high	88.3	Confident	1 Å²	1	19.1 Å²	19.1	1%	0.007	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	142.6	-179.8	-47	0	0	0	0	111.7	V490 N491 R526 I527 S528	V490-S499 CarbonylContact O-C 3.59Å; V490-S499 VanDerWaalsContact O-CA 3.27Å; V490-S499 WeakPolarHBondContact O-CA 3.37Å; N491-S499 WeakPolarHBondContact OD1-CB 3.41Å; N491-S499 PolarHBondContact OD1-OG 3.32Å; S499-R526 PolarHBondContact N-O 2.99Å; S499-I527 WeakPolarHBondContact O-CA 3.4Å; S499-S528 PolarHBondContact O-N 3.38Å
500	L	96.3	Very high	88	Confident	1 Å²	1	19.6 Å²	19.6	1%	0.005	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	129.5	173.2	-173.3	151	0	0	0	108.9	V490 L502 A529 L622 F625 F641	V490-L500 PolarHBondContact N-O 3.44Å; V490-L500 PolarHBondContact O-N 2.91Å; L500-L502 HydrophobicContact CD2-CD2 3.34Å; L500-L502 HydrophobicContact CD2-CG 3.81Å; L500-A529 WeakPolarHBondContact CA-O 3.31Å; L500-A529 HydrophobicContact CD1-CB 4.03Å; L500-A529 HydrophobicContact CG-CB 4.06Å; L500-L622 HydrophobicContact CD1-CD1 4.34Å; L500-F625 HydrophobicContact CD1-CD2 4.4Å; L500-F625 HydrophobicContact CD1-CE2 3.86Å; L500-F641 HydrophobicContact CD2-CE1 4.38Å
501	L	98.1	Very high	88	Confident	0 Å²	0	19.6 Å²	19.6	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	126.8	177.8	-171.6	71.7	0	0	0	110.2	L472 L489 D503 C504 T508 A529 V530 F531 L546	L472-L501 HydrophobicContact CD1-CD1 4.14Å; L489-L501 HydrophobicContact CB-CD1 4.09Å; L489-L501 HydrophobicContact CD1-CB 4.48Å; L489-L501 HydrophobicContact CD1-CD1 4.07Å; L501-D503 WeakPolarHBondContact CG-O 3.44Å; L501-C504 HydrophobicContact CD2-CB 3.8Å; L501-T508 HydrophobicContact CD1-CG2 4.37Å; L501-T508 HydrophobicContact CD2-CG2 4.26Å; L501-A529 PolarHBondContact N-O 2.84Å; L501-V530 HydrophobicContact CB-CG1 4.48Å; L501-V530 HydrophobicContact CB-CG2 4.06Å; L501-V530 HydrophobicContact CD2-CG1 4.47Å; L501-V530 HydrophobicContact CD2-CG2 4.32Å; L501-V530 CarbonylContact O-C 3.6Å; L501-V530 WeakPolarHBondContact O-CA 3.44Å; L501-F531 PolarHBondContact O-N 3.34Å; L501-L546 HydrophobicContact CD2-CD2 3.51Å
502	L	98.5	Very high	88.1	Confident	0 Å²	0	19.2 Å²	19.2	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	111.8	175.4	-57.7	171.4	0	0	0	108.4	T488 V490 L500 F531 F641 L649 F651 I672	T488-L502 PolarHBondContact N-O 2.95Å; T488-L502 PolarHBondContact O-N 3.07Å; V490-L502 HydrophobicContact CG2-CD1 3.81Å; V490-L502 HydrophobicContact CG2-CG 4.28Å; L500-L502 HydrophobicContact CD2-CD2 3.34Å; L500-L502 HydrophobicContact CD2-CG 3.81Å; L502-F531 HydrophobicContact CD2-CB 4.05Å; L502-F531 HydrophobicContact CD2-CD1 4.1Å; L502-F531 HydrophobicContact CD2-CG 4.44Å; L502-F641 HydrophobicContact CD2-CE1 4.28Å; L502-L649 HydrophobicContact CD1-CD2 3.97Å; L502-F651 HydrophobicContact CB-CD1 4.07Å; L502-F651 HydrophobicContact CB-CE1 4.07Å; L502-F651 HydrophobicContact CB-CG 4.31Å; L502-F651 HydrophobicContact CB-CZ 4.32Å; L502-F651 HydrophobicContact CD1-CB 3.91Å; L502-F651 HydrophobicContact CD1-CD1 4.39Å; L502-F651 HydrophobicContact CD1-CD2 4.18Å; L502-F651 HydrophobicContact CD1-CG 3.9Å; L502-F651 HydrophobicContact CD2-CB 4.41Å; L502-F651 HydrophobicContact CD2-CD1 4.18Å; L502-F651 HydrophobicContact CD2-CG 4.41Å; L502-F651 HydrophobicContact CG-CD1 4.46Å; L502-F651 HydrophobicContact CG-CG 4.45Å; L502-I672 HydrophobicContact CD1-CD1 4.46Å
503	D	98.5	Very high	88.3	Confident	0 Å²	0	19.2 Å²	19.2	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	55.9	155.8	-167.6	-64.1	-26.4	0	0	0	114.1	S486 L501 F531 S533 H539 F651	S486-D503 PolarHBondContact OG-OD2 3Å; L501-D503 WeakPolarHBondContact CG-O 3.44Å; D503-F531 WeakPolarHBondContact CA-O 3.41Å; D503-F531 PolarHBondContact N-O 3.06Å; D503-S533 WeakPolarHBondContact OD1-CB 3.19Å; D503-S533 PolarHBondContact OD1-N 3.29Å; D503-S533 PolarHBondContact OD1-OG 2.82Å; D503-S533 PolarHBondContact OD2-OG 3.37Å; D503-S533 VanDerWaalsContact OD2-OG 3.08Å; D503-H539 HydrophobicContact CB-CB 4.15Å; D503-H539 IonicContact OD2-CE1 3.63Å; D503-H539 IonicContact OD2-CG 3.21Å; D503-H539 IonicContact OD2-ND1 3.88Å; D503-H539 PolarHBondContact OD2-ND1 3.42Å; D503-F651 WeakPolarHBondContact OD2-CZ 3.43Å
504	C	97.8	Very high	89.3	Confident	0 Å²	0	16.3 Å²	16.3	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	68.9	-178.3	-165	0	0	0	0	110.6	L501 I532 H539 H540 T541 G542 L543	L501-C504 HydrophobicContact CD2-CB 3.8Å; C504-I532 HydrophobicContact CB-CD1 4.18Å; C504-H539 CarbonylContact C-O 3.52Å; C504-H539 PolarHBondContact N-O 3.45Å; C504-H540 CarbonylContact O-C 3.38Å; C504-H540 WeakPolarHBondContact O-CA 3.35Å; C504-H540 PolarHBondContact O-N 3.33Å; C504-T541 PolarHBondContact O-N 2.86Å; C504-G542 VanDerWaalsContact O-CA 3.32Å; C504-G542 WeakPolarHBondContact O-CA 3.21Å; C504-G542 PolarHBondContact O-N 2.69Å; C504-L543 HydrophobicContact CB-CB 4.37Å; C504-L543 PolarHBondContact O-N 3.31Å
505	G	95.8	Very high	90.9	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	11%	0.108	C	C	.	.			trans	-66.6	166.2	173.3	0	0	0	0	0	113.4	S486 G507 T508 D538 G542	S486-G505 PolarHBondContact O-N 3.28Å; G505-G507 PolarHBondContact O-N 3.37Å; G505-T508 PolarHBondContact N-OG1 2.63Å; G505-T508 WeakPolarHBondContact O-CB 3.34Å; G505-T508 PolarHBondContact O-N 2.83Å; G505-T508 PolarHBondContact O-OG1 3.2Å; G505-D538 WeakPolarHBondContact CA-O 3.39Å; G505-G542 WeakPolarHBondContact O-CA 3.31Å
506	E	94.2	Very high	92.7	Very high	7 Å²	7	11.5 Å²	11.5	3%	0.033	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	-46.3	133.4	176.2	-169.2	178.6	140.7	0	0	112.7	E70 G71 N484 V485 T508 T541	E70-E506 HydrophobicContact CB-CG 3.94Å; E70-E506 HydrophobicContact CG-CG 3.97Å; G71-E506 WeakPolarHBondContact CA-OE1 3.49Å; G71-E506 PolarHBondContact N-OE1 3.12Å; N484-E506 PolarHBondContact ND2-O 3.18Å; N484-E506 PolarHBondContact OD1-O 3.06Å; V485-E506 HydrophobicContact CG2-CB 4.14Å; V485-E506 VanDerWaalsContact CG2-N 3.35Å; V485-E506 WeakPolarHBondContact CG2-O 3.33Å; E506-T508 VanDerWaalsContact C-N 3.32Å; E506-T508 PolarHBondContact O-N 3.05Å; E506-T541 WeakPolarHBondContact CB-OG1 3.22Å; E506-T541 PolarHBondContact N-OG1 3.22Å
507	G	92.9	Very high	94.2	Very high	5 Å²	5	7.8 Å²	7.8	5%	0.052	4%	0.042	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.5	3.3	177.8	0	0	0	0	0	115.2	E70 G505 F509 S510 Q511	E70-G507 PolarHBondContact OE2-N 2.98Å; G505-G507 PolarHBondContact O-N 3.37Å; G507-F509 VanDerWaalsContact C-N 3.26Å; G507-F509 PolarHBondContact O-N 2.83Å; G507-S510 WeakPolarHBondContact O-CB 3.35Å; G507-S510 PolarHBondContact O-N 3.25Å; G507-S510 VanDerWaalsContact O-N 3.07Å; G507-Q511 WeakPolarHBondContact O-CG 3.47Å; G507-Q511 PolarHBondContact O-N 3.21Å
508	T	96.4	Very high	94.9	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-54.8	-42.1	175.5	-65.2	0	0	0	0	111.9	L472 L501 G505 E506 Q511 L512	L472-T508 HydrophobicContact CD1-CG2 3.81Å; L501-T508 HydrophobicContact CD1-CG2 4.37Å; L501-T508 HydrophobicContact CD2-CG2 4.26Å; G505-T508 PolarHBondContact N-OG1 2.63Å; G505-T508 WeakPolarHBondContact O-CB 3.34Å; G505-T508 PolarHBondContact O-N 2.83Å; G505-T508 PolarHBondContact O-OG1 3.2Å; E506-T508 VanDerWaalsContact C-N 3.32Å; E506-T508 PolarHBondContact O-N 3.05Å; T508-Q511 PolarHBondContact O-N 2.8Å; T508-L512 PolarHBondContact O-N 3.2Å
509	F	95.9	Very high	95	Very high	1 Å²	1	10.7 Å²	10.7	0%	0.004	6%	0.06	C	C	.	.	H	α-helix	trans	-64.1	-42.8	175.3	169.9	-111.4	0	0	0	112.4	R49 G507 Q511 L512 C513 V520 L524 K545 Q549	R49-F509 HydrophobicContact CG-CZ 4.22Å; R49-F509 WeakPolarHBondContact O-CE1 3.26Å; G507-F509 VanDerWaalsContact C-N 3.26Å; G507-F509 PolarHBondContact O-N 2.83Å; F509-Q511 VanDerWaalsContact C-N 3.25Å; F509-Q511 PolarHBondContact O-N 3.3Å; F509-L512 WeakPolarHBondContact O-CA 3.35Å; F509-L512 WeakPolarHBondContact O-CB 3.35Å; F509-L512 PolarHBondContact O-N 3.34Å; F509-L512 VanDerWaalsContact O-N 3.08Å; F509-C513 WeakPolarHBondContact CZ-SG 3.43Å; F509-C513 PolarHBondContact O-N 2.89Å; F509-V520 HydrophobicContact CE2-CG2 4.24Å; F509-L524 HydrophobicContact CD2-CD1 4.25Å; F509-L524 HydrophobicContact CD2-CD2 4.37Å; F509-L524 HydrophobicContact CE2-CD1 3.83Å; F509-K545 HydrophobicContact CB-CG 4.16Å; F509-K545 HydrophobicContact CD1-CG 3.79Å; F509-K545 HydrophobicContact CG-CG 4.21Å; F509-Q549 HydrophobicContact CD1-CG 3.91Å; F509-Q549 HydrophobicContact CD2-CB 3.88Å; F509-Q549 HydrophobicContact CD2-CG 4.08Å; F509-Q549 HydrophobicContact CE1-CB 4.35Å; F509-Q549 HydrophobicContact CE1-CG 3.58Å; F509-Q549 HydrophobicContact CE2-CB 3.64Å; F509-Q549 HydrophobicContact CE2-CG 3.81Å; F509-Q549 HydrophobicContact CG-CB 4.36Å; F509-Q549 HydrophobicContact CG-CG 4.12Å; F509-Q549 HydrophobicContact CZ-CB 3.87Å; F509-Q549 HydrophobicContact CZ-CG 3.53Å
510	S	93.3	Very high	95	Very high	10 Å²	10	10.6 Å²	10.6	7%	0.07	6%	0.059	C	C	.	.	H	α-helix	trans	-59	-38.5	174.7	-53	0	0	0	0	111.9	D50 G507 C513 R514	D50-S510 WeakPolarHBondContact O-CB 3.36Å; D50-S510 PolarHBondContact O-OG 3.34Å; G507-S510 WeakPolarHBondContact O-CB 3.35Å; G507-S510 PolarHBondContact O-N 3.25Å; G507-S510 VanDerWaalsContact O-N 3.07Å; S510-C513 WeakPolarHBondContact O-CB 3.27Å; S510-C513 PolarHBondContact O-N 3.33Å; S510-R514 WeakPolarHBondContact O-CG 3.48Å; S510-R514 PolarHBondContact O-N 3.29Å
511	Q	94.9	Very high	94.9	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-67.5	-37.4	175.3	-63.3	-70.3	80.6	0	0	111.8	L472 N484 G507 T508 F509 R514 H515 D736 H737	L472-Q511 HydrophobicContact CB-CB 3.97Å; L472-Q511 HydrophobicContact CD2-CB 4.18Å; L472-Q511 VanDerWaalsContact O-CG 3.24Å; L472-Q511 WeakPolarHBondContact O-CG 3.44Å; L472-Q511 PolarHBondContact O-NE2 3.3Å; N484-Q511 HydrophobicContact CB-CG 4.19Å; G507-Q511 WeakPolarHBondContact O-CG 3.47Å; G507-Q511 PolarHBondContact O-N 3.21Å; T508-Q511 PolarHBondContact O-N 2.8Å; F509-Q511 VanDerWaalsContact C-N 3.25Å; F509-Q511 PolarHBondContact O-N 3.3Å; Q511-R514 PolarHBondContact O-N 3.33Å; Q511-H515 WeakPolarHBondContact O-CB 3.02Å; Q511-H515 PolarHBondContact O-N 3.19Å; Q511-D736 PolarHBondContact NE2-OD2 3.07Å; Q511-H737 PolarHBondContact NE2-NE2 2.91Å; Q511-H737 VanDerWaalsContact NE2-NE2 3.2Å; Q511-H737 PolarHBondContact O-CE1 2.91Å; Q511-H737 PolarHBondContact OE1-NE2 3.04Å
512	L	96	Very high	94.7	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-61.3	-43.7	171.1	-71.4	170.1	0	0	0	111.5	L472 L489 T508 F509 R514 H515 Y516 V520 L524 I527 L546	L472-L512 HydrophobicContact CD1-CD2 3.59Å; L472-L512 HydrophobicContact CD1-CG 3.82Å; L472-L512 HydrophobicContact CD2-CD2 3.89Å; L472-L512 HydrophobicContact CD2-CG 4.3Å; L472-L512 HydrophobicContact CG-CD2 4.4Å; L489-L512 HydrophobicContact CD2-CD2 4.03Å; T508-L512 PolarHBondContact O-N 3.2Å; F509-L512 WeakPolarHBondContact O-CA 3.35Å; F509-L512 WeakPolarHBondContact O-CB 3.35Å; F509-L512 PolarHBondContact O-N 3.34Å; F509-L512 VanDerWaalsContact O-N 3.08Å; L512-R514 VanDerWaalsContact C-N 3.33Å; L512-R514 PolarHBondContact O-N 3.41Å; L512-H515 PolarHBondContact O-N 3.34Å; L512-Y516 HydrophobicContact CD2-CD2 3.92Å; L512-Y516 HydrophobicContact CD2-CE2 3.65Å; L512-Y516 WeakPolarHBondContact O-CB 3.43Å; L512-Y516 PolarHBondContact O-N 3.46Å; L512-V520 HydrophobicContact CB-CG2 3.93Å; L512-L524 HydrophobicContact CD1-CD2 3.92Å; L512-I527 HydrophobicContact CD1-CD1 4.28Å; L512-L546 HydrophobicContact CD1-CD1 3.72Å
513	C	94.2	Very high	94.5	Very high	1 Å²	1	16.2 Å²	16.2	1%	0.007	9%	0.087	C	C	.	.	H	α-helix	trans	-58.3	-44.1	175.3	-71	0	0	0	0	111.8	D50 A392 F509 S510 G517	D50-C513 HydrophobicContact CB-CB 3.8Å; A392-C513 HydrophobicContact CB-CB 4.48Å; F509-C513 WeakPolarHBondContact CZ-SG 3.43Å; F509-C513 PolarHBondContact O-N 2.89Å; S510-C513 WeakPolarHBondContact O-CB 3.27Å; S510-C513 PolarHBondContact O-N 3.33Å; C513-G517 WeakPolarHBondContact O-CA 3.38Å; C513-G517 PolarHBondContact O-N 3.34Å
514	R	92.6	Very high	94.4	Very high	13 Å²	13	16.2 Å²	16.2	5%	0.049	9%	0.087	C	C	.	.	H	α-helix	trans	-72.6	-32.6	179.6	-67.7	169.3	-161.2	148.4	-0.9	113.3	D50 N368 R390 S510 Q511 L512	D50-R514 IonicContact OD2-CZ 3.5Å; D50-R514 IonicContact OD2-NE 3.96Å; D50-R514 PolarHBondContact OD2-NE 3.14Å; D50-R514 IonicContact OD2-NH2 3.73Å; D50-R514 PolarHBondContact OD2-NH2 3.26Å; N368-R514 PolarHBondContact OD1-NH1 2.92Å; N368-R514 PolarHBondContact OD1-NH2 3.17Å; R390-R514 PolarHBondContact N-O 3.25Å; R390-R514 WeakPolarHBondContact O-CA 3.36Å; S510-R514 WeakPolarHBondContact O-CG 3.48Å; S510-R514 PolarHBondContact O-N 3.29Å; Q511-R514 PolarHBondContact O-N 3.33Å; L512-R514 VanDerWaalsContact C-N 3.33Å; L512-R514 PolarHBondContact O-N 3.41Å
515	H	95.2	Very high	94.2	Very high	18 Å²	18	17.4 Å²	17.4	8%	0.083	10%	0.095	C	C	.	.	H	α-helix	trans	-76.1	-47.3	179.1	-167.1	83.8	0	0	0	111.8	Q511 L512 H737	Q511-H515 WeakPolarHBondContact O-CB 3.02Å; Q511-H515 PolarHBondContact O-N 3.19Å; L512-H515 PolarHBondContact O-N 3.34Å; H515-H737 PolarHBondContact CE1-O 3.22Å; H515-H737 AromaticContact ND1-ND1 3.79Å
516	Y	94	Very high	94.1	Very high	37 Å²	37	21.7 Å²	21.7	15%	0.145	11%	0.111	C	C	.	.	H	α-helix	trans	-96.3	-17.7	-173.1	-67.3	-73.2	0	0	0	113.9	L489 N491 L512 N518 A519 A523	L489-Y516 HydrophobicContact CD2-CE2 4.02Å; L489-Y516 WeakPolarHBondContact CD2-OH 3.48Å; N491-Y516 PolarHBondContact ND2-OH 3.03Å; L512-Y516 HydrophobicContact CD2-CD2 3.92Å; L512-Y516 HydrophobicContact CD2-CE2 3.65Å; L512-Y516 WeakPolarHBondContact O-CB 3.43Å; L512-Y516 PolarHBondContact O-N 3.46Å; Y516-N518 PolarHBondContact O-N 3.41Å; Y516-A519 WeakPolarHBondContact O-CB 3.29Å; Y516-A519 PolarHBondContact O-N 2.81Å; Y516-A519 VanDerWaalsContact O-N 3.15Å; Y516-A523 HydrophobicContact CD1-CB 4.18Å; Y516-A523 HydrophobicContact CD2-CB 3.55Å; Y516-A523 HydrophobicContact CE1-CB 4.32Å; Y516-A523 HydrophobicContact CE2-CB 3.7Å; Y516-A523 HydrophobicContact CG-CB 3.81Å
517	G	92.6	Very high	94.2	Very high	1 Å²	1	21.4 Å²	21.4	1%	0.01	11%	0.11	C	C	.	.	G	3₁₀ helix	trans	58.1	-129.3	-174.9	0	0	0	0	0	111.1	C513 A519 V520	C513-G517 WeakPolarHBondContact O-CA 3.38Å; C513-G517 PolarHBondContact O-N 3.34Å; G517-A519 PolarHBondContact O-N 3.1Å; G517-A519 VanDerWaalsContact O-N 3.14Å; G517-V520 WeakPolarHBondContact O-CB 3.4Å; G517-V520 WeakPolarHBondContact O-CG1 3.3Å; G517-V520 PolarHBondContact O-N 3.49Å; G517-V520 VanDerWaalsContact O-N 3.12Å
518	N	90.4	Very high	94.3	Very high	95 Å²	95	21.5 Å²	21.5	51%	0.508	11%	0.109	S	C	.	.	G	3₁₀ helix	trans	-64.7	-16.3	179.2	-63.8	-7.1	0	0	0	113.7	R393 Y516 V520	R393-N518 PolarHBondContact N-OD1 3Å; R393-N518 PolarHBondContact O-OD1 3.28Å; Y516-N518 PolarHBondContact O-N 3.41Å; N518-V520 VanDerWaalsContact C-N 3.25Å; N518-V520 PolarHBondContact O-N 2.88Å
519	A	92.6	Very high	94.4	Very high	34 Å²	34	21.5 Å²	21.5	28%	0.281	11%	0.11	S	C	.	.	G	3₁₀ helix	trans	-83.2	4.6	176	0	0	0	0	0	113.6	Y516 G517 D521 Q522 A523	Y516-A519 WeakPolarHBondContact O-CB 3.29Å; Y516-A519 PolarHBondContact O-N 2.81Å; Y516-A519 VanDerWaalsContact O-N 3.15Å; G517-A519 PolarHBondContact O-N 3.1Å; G517-A519 VanDerWaalsContact O-N 3.14Å; A519-D521 VanDerWaalsContact C-N 3.3Å; A519-D521 PolarHBondContact O-N 3.01Å; A519-Q522 WeakPolarHBondContact O-CB 3.38Å; A519-Q522 PolarHBondContact O-N 3.09Å; A519-Q522 VanDerWaalsContact O-N 3.09Å; A519-A523 PolarHBondContact O-N 2.87Å; A519-A523 VanDerWaalsContact O-N 3.08Å
520	V	94.4	Very high	94.5	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-60.3	-34.7	-177	67.3	0	0	0	0	113.4	R49 F509 L512 G517 N518 Q522 A523 L524	R49-V520 VanDerWaalsContact NH2-CG1 3.26Å; F509-V520 HydrophobicContact CE2-CG2 4.24Å; L512-V520 HydrophobicContact CB-CG2 3.93Å; G517-V520 WeakPolarHBondContact O-CB 3.4Å; G517-V520 WeakPolarHBondContact O-CG1 3.3Å; G517-V520 PolarHBondContact O-N 3.49Å; G517-V520 VanDerWaalsContact O-N 3.12Å; N518-V520 VanDerWaalsContact C-N 3.25Å; N518-V520 PolarHBondContact O-N 2.88Å; V520-Q522 VanDerWaalsContact C-N 3.28Å; V520-Q522 PolarHBondContact O-N 3.34Å; V520-A523 PolarHBondContact O-N 3.45Å; V520-A523 VanDerWaalsContact O-N 3.15Å; V520-L524 HydrophobicContact CG2-CD1 4.33Å; V520-L524 HydrophobicContact CG2-CG 4.38Å; V520-L524 WeakPolarHBondContact O-CG 3.29Å; V520-L524 PolarHBondContact O-N 3.48Å
521	D	94.8	Very high	94.7	Very high	19 Å²	19	21.1 Å²	21.1	10%	0.102	11%	0.107	C	C	.	.	H	α-helix	trans	-63.9	-36.5	176.8	-73.1	-43	0	0	0	111.3	R49 A519 L524 S525 R552 A553 L557	R49-D521 IonicContact CZ-OD1 2.61Å; R49-D521 IonicContact CZ-OD2 3.69Å; R49-D521 IonicContact NH1-OD2 3.36Å; R49-D521 PolarHBondContact NH1-OD2 2.84Å; R49-D521 IonicContact NH2-OD1 3.69Å; R49-D521 PolarHBondContact NH2-OD1 3.44Å; R49-D521 IonicContact NH2-OD2 2.73Å; R49-D521 PolarHBondContact NH2-OD2 2.93Å; A519-D521 VanDerWaalsContact C-N 3.3Å; A519-D521 PolarHBondContact O-N 3.01Å; D521-L524 PolarHBondContact O-N 2.89Å; D521-S525 PolarHBondContact O-N 2.83Å; D521-R552 IonicContact OD1-CZ 3.22Å; D521-R552 IonicContact OD1-NH1 2.81Å; D521-R552 PolarHBondContact OD1-NH1 3.45Å; D521-R552 IonicContact OD1-NH2 3.11Å; D521-R552 IonicContact OD2-NH1 2.7Å; D521-R552 IonicContact OD2-NH2 3.68Å; D521-A553 HydrophobicContact CB-CB 3.88Å; D521-A553 WeakPolarHBondContact OD1-CA 3.25Å; D521-A553 WeakPolarHBondContact OD1-CB 3.29Å; D521-L557 HydrophobicContact CB-CD1 4.17Å; D521-L557 HydrophobicContact CB-CG 4.29Å; D521-L557 WeakPolarHBondContact O-CD1 3.45Å
522	Q	93.8	Very high	94.9	Very high	97 Å²	97	21.1 Å²	21.1	45%	0.453	11%	0.107	S	C	.	.	H	α-helix	trans	-70.1	-35.3	174.2	-60.3	177.3	10.1	0	0	111.9	A519 V520 S525 R526	A519-Q522 WeakPolarHBondContact O-CB 3.38Å; A519-Q522 PolarHBondContact O-N 3.09Å; A519-Q522 VanDerWaalsContact O-N 3.09Å; V520-Q522 VanDerWaalsContact C-N 3.28Å; V520-Q522 PolarHBondContact O-N 3.34Å; Q522-S525 PolarHBondContact O-OG 3.21Å; Q522-R526 WeakPolarHBondContact O-CD 3.14Å; Q522-R526 VanDerWaalsContact O-CG 3.25Å; Q522-R526 WeakPolarHBondContact O-CG 3.41Å
523	A	94.1	Very high	95	Very high	3 Å²	3	21.1 Å²	21.1	3%	0.025	11%	0.107	C	C	.	.	H	α-helix	trans	-66.4	-43.6	174.8	0	0	0	0	0	111	Y516 A519 V520 R526	Y516-A523 HydrophobicContact CD1-CB 4.18Å; Y516-A523 HydrophobicContact CD2-CB 3.55Å; Y516-A523 HydrophobicContact CE1-CB 4.32Å; Y516-A523 HydrophobicContact CE2-CB 3.7Å; Y516-A523 HydrophobicContact CG-CB 3.81Å; A519-A523 PolarHBondContact O-N 2.87Å; A519-A523 VanDerWaalsContact O-N 3.08Å; V520-A523 PolarHBondContact O-N 3.45Å; V520-A523 VanDerWaalsContact O-N 3.15Å; A523-R526 PolarHBondContact O-N 2.78Å
524	L	95.9	Very high	95.1	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-63.8	-40.8	178	-74.1	171.5	0	0	0	112.8	F509 L512 V520 D521 R526 I527 L546 Q549 R550 A553	F509-L524 HydrophobicContact CD2-CD1 4.25Å; F509-L524 HydrophobicContact CD2-CD2 4.37Å; F509-L524 HydrophobicContact CE2-CD1 3.83Å; L512-L524 HydrophobicContact CD1-CD2 3.92Å; V520-L524 HydrophobicContact CG2-CD1 4.33Å; V520-L524 HydrophobicContact CG2-CG 4.38Å; V520-L524 WeakPolarHBondContact O-CG 3.29Å; V520-L524 PolarHBondContact O-N 3.48Å; D521-L524 PolarHBondContact O-N 2.89Å; L524-R526 PolarHBondContact O-N 3.48Å; L524-I527 HydrophobicContact CD2-CD1 4.2Å; L524-I527 PolarHBondContact O-N 3.19Å; L524-L546 HydrophobicContact CD2-CD1 3.66Å; L524-Q549 HydrophobicContact CD1-CB 4.11Å; L524-R550 HydrophobicContact CB-CB 4.46Å; L524-R550 WeakPolarHBondContact O-CD 3.37Å; L524-R550 PolarHBondContact O-NE 3.32Å; L524-A553 HydrophobicContact CB-CB 3.9Å; L524-A553 HydrophobicContact CD1-CB 3.91Å
525	S	94.9	Very high	95.2	Very high	24 Å²	24	22 Å²	22	17%	0.168	11%	0.112	C	C	.	.	H	α-helix	trans	-64.7	-25.5	-179.4	68.2	0	0	0	0	113.2	D521 Q522	D521-S525 PolarHBondContact O-N 2.83Å; Q522-S525 PolarHBondContact O-OG 3.21Å
526	R	94.2	Very high	95.1	Very high	91 Å²	91	24.2 Å²	24.2	34%	0.343	12%	0.122	S	C	.	.	H	α-helix	trans	-79.5	-20.1	177.6	-64.9	171.3	-174.2	164.7	3.6	113.6	S497 Q498 S499 Q522 A523 L524 S528	S497-R526 VanDerWaalsContact O-CG 3.29Å; S497-R526 WeakPolarHBondContact O-CG 3.37Å; Q498-R526 PolarHBondContact OE1-O 3.15Å; S499-R526 PolarHBondContact N-O 2.99Å; Q522-R526 WeakPolarHBondContact O-CD 3.14Å; Q522-R526 VanDerWaalsContact O-CG 3.25Å; Q522-R526 WeakPolarHBondContact O-CG 3.41Å; A523-R526 PolarHBondContact O-N 2.78Å; L524-R526 PolarHBondContact O-N 3.48Å; R526-S528 PolarHBondContact O-N 3.14Å; R526-S528 VanDerWaalsContact O-N 3.14Å
527	I	96.2	Very high	95	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	112.1	177.9	-58.9	173.4	0	0	0	108.6	L489 S499 L512 L524 V530 L546 R550	L489-I527 HydrophobicContact CD1-CD1 4.2Å; L489-I527 HydrophobicContact CD1-CG1 3.98Å; S499-I527 WeakPolarHBondContact O-CA 3.4Å; L512-I527 HydrophobicContact CD1-CD1 4.28Å; L524-I527 HydrophobicContact CD2-CD1 4.2Å; L524-I527 PolarHBondContact O-N 3.19Å; I527-V530 HydrophobicContact CG2-CG2 4.16Å; I527-L546 HydrophobicContact CD1-CD1 4.03Å; I527-R550 PolarHBondContact O-NE 3.35Å; I527-R550 PolarHBondContact O-NH2 3.48Å
528	S	95.1	Very high	95	Very high	7 Å²	7	24 Å²	24	5%	0.049	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	-23.5	179.1	46.5	0	0	0	0	113.5	Q498 S499 R526 Y565	Q498-S528 PolarHBondContact OE1-OG 2.89Å; S499-S528 PolarHBondContact O-N 3.38Å; R526-S528 PolarHBondContact O-N 3.14Å; R526-S528 VanDerWaalsContact O-N 3.14Å; S528-Y565 VanDerWaalsContact O-CD2 3.32Å; S528-Y565 WeakPolarHBondContact O-CD2 3.49Å; S528-Y565 PolarHBondContact O-N 3.18Å
529	A	96.8	Very high	95.3	Very high	1 Å²	1	19.6 Å²	19.6	1%	0.008	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	144.7	177	0	0	0	0	0	111.8	L500 L501 Y565 M616 T620	L500-A529 WeakPolarHBondContact CA-O 3.31Å; L500-A529 HydrophobicContact CD1-CB 4.03Å; L500-A529 HydrophobicContact CG-CB 4.06Å; L501-A529 PolarHBondContact N-O 2.84Å; A529-Y565 CarbonylContact C-O 3.6Å; A529-Y565 VanDerWaalsContact CA-O 3.29Å; A529-Y565 WeakPolarHBondContact CA-O 3.46Å; A529-M616 HydrophobicContact CB-CG 4.11Å; A529-M616 HydrophobicContact CB-SD 4.21Å; A529-T620 HydrophobicContact CB-CG2 4.32Å
530	V	98.4	Very high	95.5	Very high	1 Å²	1	18 Å²	18	1%	0.006	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	125.3	172.5	178.2	0	0	0	0	107.9	L501 I527 I532 L543 L546 V564 Y565 L566 V567	L501-V530 HydrophobicContact CB-CG1 4.48Å; L501-V530 HydrophobicContact CB-CG2 4.06Å; L501-V530 HydrophobicContact CD2-CG1 4.47Å; L501-V530 HydrophobicContact CD2-CG2 4.32Å; L501-V530 CarbonylContact O-C 3.6Å; L501-V530 WeakPolarHBondContact O-CA 3.44Å; I527-V530 HydrophobicContact CG2-CG2 4.16Å; V530-I532 HydrophobicContact CG1-CD1 3.8Å; V530-I532 HydrophobicContact CG1-CG1 4.21Å; V530-L543 HydrophobicContact CG1-CD1 4.12Å; V530-L543 HydrophobicContact CG2-CD1 4.41Å; V530-L546 HydrophobicContact CG2-CD2 4.13Å; V530-V564 HydrophobicContact CB-CG1 4.19Å; V530-V564 HydrophobicContact CG2-CG1 3.64Å; V530-Y565 PolarHBondContact N-O 2.75Å; V530-L566 HydrophobicContact CB-CD1 4.24Å; V530-L566 HydrophobicContact CG1-CD1 4.22Å; V530-L566 WeakPolarHBondContact O-CA 3.38Å; V530-V567 PolarHBondContact O-N 3.05Å
531	F	98.6	Very high	95.5	Very high	1 Å²	1	18.1 Å²	18.1	0%	0.004	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	127.5	169.7	173.8	-104.9	0	0	0	109.2	L501 L502 D503 V567 F625 T627 F637 C639 F651	L501-F531 PolarHBondContact O-N 3.34Å; L502-F531 HydrophobicContact CD2-CB 4.05Å; L502-F531 HydrophobicContact CD2-CD1 4.1Å; L502-F531 HydrophobicContact CD2-CG 4.44Å; D503-F531 WeakPolarHBondContact CA-O 3.41Å; D503-F531 PolarHBondContact N-O 3.06Å; F531-V567 CarbonylContact C-O 3.55Å; F531-V567 VanDerWaalsContact CA-O 3.29Å; F531-V567 WeakPolarHBondContact CA-O 3.4Å; F531-V567 HydrophobicContact CD2-CB 4Å; F531-V567 HydrophobicContact CD2-CG1 3.78Å; F531-V567 HydrophobicContact CE2-CG1 4.26Å; F531-F625 HydrophobicContact CB-CZ 4.26Å; F531-F625 HydrophobicContact CD2-CE1 4.17Å; F531-F625 AromaticContact CD2-CZ 3.95Å; F531-F625 HydrophobicContact CD2-CZ 3.95Å; F531-F625 HydrophobicContact CG-CZ 4.21Å; F531-T627 HydrophobicContact CE2-CG2 4.05Å; F531-F637 HydrophobicContact CZ-CB 4.21Å; F531-C639 HydrophobicContact CD1-CB 4.3Å; F531-C639 VanDerWaalsContact CD1-SG 3.58Å; F531-C639 HydrophobicContact CD2-CB 4.18Å; F531-C639 HydrophobicContact CE1-CB 3.92Å; F531-C639 VanDerWaalsContact CE1-SG 3.6Å; F531-C639 HydrophobicContact CE2-CB 3.8Å; F531-C639 HydrophobicContact CG-CB 4.41Å; F531-C639 HydrophobicContact CZ-CB 3.66Å; F531-F651 AromaticContact CD1-CD1 3.95Å; F531-F651 HydrophobicContact CD1-CD1 3.95Å; F531-F651 HydrophobicContact CD1-CE1 4.22Å; F531-F651 AromaticContact CE1-CD1 3.84Å; F531-F651 HydrophobicContact CE1-CD1 3.84Å; F531-F651 HydrophobicContact CE1-CE1 4.15Å
532	I	98.6	Very high	95.5	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.086	C	C	.	.			trans	-111.5	119.4	171.2	-56.6	-62.1	0	0	0	107.8	C504 V530 H534 H539 H540 L566 V567 A568 P569 I572	C504-I532 HydrophobicContact CB-CD1 4.18Å; V530-I532 HydrophobicContact CG1-CD1 3.8Å; V530-I532 HydrophobicContact CG1-CG1 4.21Å; I532-H534 VanDerWaalsContact CG2-O 3.25Å; I532-H534 WeakPolarHBondContact CG2-O 3.41Å; I532-H539 WeakPolarHBondContact CD1-O 3.4Å; I532-H540 HydrophobicContact CD1-CB 4.15Å; I532-H540 HydrophobicContact CG2-CB 3.83Å; I532-L566 HydrophobicContact CG1-CD1 3.86Å; I532-V567 PolarHBondContact N-O 2.93Å; I532-A568 HydrophobicContact CB-CB 3.92Å; I532-A568 HydrophobicContact CG1-CB 4.33Å; I532-P569 VanDerWaalsContact O-CD 3.31Å; I532-P569 WeakPolarHBondContact O-CD 3.42Å; I532-I572 HydrophobicContact CB-CD1 4.38Å; I532-I572 HydrophobicContact CG1-CD1 4.08Å; I532-I572 HydrophobicContact CG2-CD1 4.2Å
533	S	97.9	Very high	95.7	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	6%	0.064	C	C	.	.			trans	-65.9	-45.6	-177.6	57.7	0	0	0	0	112.4	D503 F637	D503-S533 WeakPolarHBondContact OD1-CB 3.19Å; D503-S533 PolarHBondContact OD1-N 3.29Å; D503-S533 PolarHBondContact OD1-OG 2.82Å; D503-S533 PolarHBondContact OD2-OG 3.37Å; D503-S533 VanDerWaalsContact OD2-OG 3.08Å; S533-F637 WeakPolarHBondContact CB-O 3.43Å; S533-F637 PolarHBondContact O-N 3.42Å
534	H	96.6	Very high	95.8	Very high	1 Å²	1	12.6 Å²	12.6	1%	0.005	6%	0.064	C	C	.	.			trans	-163.5	-178	-177.9	69	-72.2	0	0	0	112.7	I532 H536 H539 H632 C633 A636 D654	I532-H534 VanDerWaalsContact CG2-O 3.25Å; I532-H534 WeakPolarHBondContact CG2-O 3.41Å; H534-H536 AromaticContact CD2-CG 3.43Å; H534-H536 VanDerWaalsContact CD2-CG 3.43Å; H534-H536 PolarHBondContact CD2-N 3.07Å; H534-H536 VanDerWaalsContact CD2-N 3.35Å; H534-H536 AromaticContact CD2-ND1 3.4Å; H534-H536 PolarHBondContact CD2-ND1 2.96Å; H534-H536 VanDerWaalsContact NE2-CB 3.29Å; H534-H536 WeakPolarHBondContact NE2-CB 3.25Å; H534-H536 AromaticContact NE2-CE1 3.95Å; H534-H536 AromaticContact NE2-CG 3.25Å; H534-H536 AromaticContact NE2-ND1 2.96Å; H534-H536 PolarHBondContact NE2-ND1 3.47Å; H534-H539 AromaticContact CE1-CD2 3.28Å; H534-H539 PolarHBondContact CE1-CD2 3.14Å; H534-H539 AromaticContact CE1-CE1 3.63Å; H534-H539 AromaticContact CE1-CG 3.6Å; H534-H539 AromaticContact CE1-ND1 3.8Å; H534-H539 AromaticContact CE1-NE2 3.32Å; H534-H539 PolarHBondContact CE1-NE2 3.31Å; H534-H539 VanDerWaalsContact CE1-NE2 3.32Å; H534-H539 AromaticContact NE2-CD2 3.69Å; H534-H539 AromaticContact NE2-NE2 3.89Å; H534-H632 AromaticContact CD2-CD2 3.79Å; H534-H632 AromaticContact NE2-CD2 3.63Å; H534-H632 AromaticContact NE2-NE2 3.5Å; H534-H632 PolarHBondContact NE2-NE2 3.27Å; H534-C633 VanDerWaalsContact CD2-SG 3.55Å; H534-A636 HydrophobicContact CB-CB 3.9Å; H534-D654 IonicContact CE1-OD2 3.33Å; H534-D654 PolarHBondContact CE1-OD2 2.83Å; H534-D654 IonicContact NE2-OD2 2.9Å
535	L	94.2	Very high	95.8	Very high	31 Å²	31	13 Å²	13	16%	0.162	7%	0.065	C	C	.	.	S	Bend	trans	-98.6	28.7	-172.8	-79.1	86.2	0	0	0	114.6	F135 P569 Q571	F135-L535 VanDerWaalsContact CB-O 3.28Å; F135-L535 WeakPolarHBondContact CB-O 3.49Å; L535-P569 HydrophobicContact CD1-CB 3.72Å; L535-P569 HydrophobicContact CD1-CG 3.86Å; L535-Q571 HydrophobicContact CD1-CB 3.95Å; L535-Q571 HydrophobicContact CD2-CB 3.83Å
536	H	93.4	Very high	95.9	Very high	65 Å²	65	12 Å²	12	30%	0.301	6%	0.058	S	C	.	.			trans	-80.2	144.7	163.8	-66.9	157.9	0	0	0	110.3	H534 D538 H539 H540 H632	H534-H536 AromaticContact CD2-CG 3.43Å; H534-H536 VanDerWaalsContact CD2-CG 3.43Å; H534-H536 PolarHBondContact CD2-N 3.07Å; H534-H536 VanDerWaalsContact CD2-N 3.35Å; H534-H536 AromaticContact CD2-ND1 3.4Å; H534-H536 PolarHBondContact CD2-ND1 2.96Å; H534-H536 VanDerWaalsContact NE2-CB 3.29Å; H534-H536 WeakPolarHBondContact NE2-CB 3.25Å; H534-H536 AromaticContact NE2-CE1 3.95Å; H534-H536 AromaticContact NE2-CG 3.25Å; H534-H536 AromaticContact NE2-ND1 2.96Å; H534-H536 PolarHBondContact NE2-ND1 3.47Å; H536-D538 VanDerWaalsContact CB-OD1 3.24Å; H536-D538 WeakPolarHBondContact CB-OD1 3.35Å; H536-D538 PolarHBondContact O-N 2.89Å; H536-H539 PolarHBondContact O-N 3.33Å; H536-H540 PolarHBondContact O-CD2 3.11Å; H536-H632 AromaticContact CE1-CD2 3.8Å; H536-H632 AromaticContact CE1-CE1 3.79Å; H536-H632 AromaticContact CE1-NE2 2.94Å; H536-H632 PolarHBondContact CE1-NE2 3.41Å; H536-H632 AromaticContact ND1-CD2 3.91Å; H536-H632 AromaticContact ND1-CE1 3.97Å; H536-H632 AromaticContact ND1-NE2 2.99Å; H536-H632 PolarHBondContact ND1-NE2 3.36Å
537	A	91.9	Very high	96.1	Very high	20 Å²	20	7.9 Å²	7.9	17%	0.165	4%	0.043	C	C	.	.	H	α-helix	trans	-57.5	-37.3	-168.3	0	0	0	0	0	112.9	F135 H539 H540 T541	F135-A537 HydrophobicContact CD2-CB 3.97Å; F135-A537 HydrophobicContact CE2-CB 4.1Å; A537-H539 PolarHBondContact O-N 2.98Å; A537-H539 VanDerWaalsContact O-N 3.09Å; A537-H540 PolarHBondContact O-N 3.2Å; A537-T541 HydrophobicContact CB-CG2 3.9Å; A537-T541 WeakPolarHBondContact O-CG2 3.07Å; A537-T541 PolarHBondContact O-N 2.63Å; A537-T541 PolarHBondContact O-OG1 3.31Å
538	D	92.7	Very high	96.1	Very high	15 Å²	15	9.3 Å²	9.3	8%	0.08	5%	0.049	C	C	.	.	H	α-helix	trans	-64.6	-7.2	179.2	50.9	-37	0	0	0	114.8	A477 V485 S486 G505 H536 H712	A477-D538 WeakPolarHBondContact CA-OD2 3.5Å; A477-D538 PolarHBondContact N-OD2 2.92Å; V485-D538 HydrophobicContact CB-CB 3.85Å; V485-D538 HydrophobicContact CG1-CB 3.68Å; S486-D538 PolarHBondContact N-O 3.03Å; G505-D538 WeakPolarHBondContact CA-O 3.39Å; H536-D538 VanDerWaalsContact CB-OD1 3.24Å; H536-D538 WeakPolarHBondContact CB-OD1 3.35Å; H536-D538 PolarHBondContact O-N 2.89Å; D538-H712 IonicContact OD2-CE1 3.82Å; D538-H712 IonicContact OD2-NE2 3.63Å; D538-H712 PolarHBondContact OD2-NE2 3.18Å
539	H	96.1	Very high	96.1	Very high	1 Å²	1	10 Å²	10	1%	0.005	5%	0.052	C	C	.	.	H	α-helix	trans	-112.9	-11	179.8	-61.8	-97.8	0	0	0	114.5	D503 C504 I532 H534 H536 A537 D654 H712	D503-H539 HydrophobicContact CB-CB 4.15Å; D503-H539 IonicContact OD2-CE1 3.63Å; D503-H539 IonicContact OD2-CG 3.21Å; D503-H539 IonicContact OD2-ND1 3.88Å; D503-H539 PolarHBondContact OD2-ND1 3.42Å; C504-H539 CarbonylContact C-O 3.52Å; C504-H539 PolarHBondContact N-O 3.45Å; I532-H539 WeakPolarHBondContact CD1-O 3.4Å; H534-H539 AromaticContact CE1-CD2 3.28Å; H534-H539 PolarHBondContact CE1-CD2 3.14Å; H534-H539 AromaticContact CE1-CE1 3.63Å; H534-H539 AromaticContact CE1-CG 3.6Å; H534-H539 AromaticContact CE1-ND1 3.8Å; H534-H539 AromaticContact CE1-NE2 3.32Å; H534-H539 PolarHBondContact CE1-NE2 3.31Å; H534-H539 VanDerWaalsContact CE1-NE2 3.32Å; H534-H539 AromaticContact NE2-CD2 3.69Å; H534-H539 AromaticContact NE2-NE2 3.89Å; H536-H539 PolarHBondContact O-N 3.33Å; A537-H539 PolarHBondContact O-N 2.98Å; A537-H539 VanDerWaalsContact O-N 3.09Å; H539-D654 IonicContact CE1-OD1 3.6Å; H539-D654 PolarHBondContact CE1-OD1 3.04Å; H539-D654 VanDerWaalsContact CE1-OD1 3.28Å; H539-D654 IonicContact CE1-OD2 3.51Å; H539-D654 IonicContact NE2-OD1 3.69Å; H539-D654 IonicContact NE2-OD2 3.6Å; H539-D654 PolarHBondContact NE2-OD2 3.33Å; H539-H712 AromaticContact CE1-CD2 3.88Å; H539-H712 AromaticContact CE1-CE1 3.78Å; H539-H712 AromaticContact CE1-NE2 3.36Å; H539-H712 PolarHBondContact CE1-NE2 3.07Å; H539-H712 AromaticContact NE2-CE1 3.61Å; H539-H712 AromaticContact NE2-NE2 3.28Å; H539-H712 PolarHBondContact NE2-NE2 3.33Å
540	H	95.9	Very high	96.1	Very high	2 Å²	2	10.4 Å²	10.4	1%	0.009	5%	0.053	C	C	.	.	H	α-helix	trans	-145.5	-11.7	-171.5	78.5	78.4	0	0	0	116.8	F135 C504 I532 H536 A537 G542 L543 I572 W575	F135-H540 AromaticContact CG-NE2 3.83Å; C504-H540 CarbonylContact O-C 3.38Å; C504-H540 WeakPolarHBondContact O-CA 3.35Å; C504-H540 PolarHBondContact O-N 3.33Å; I532-H540 HydrophobicContact CD1-CB 4.15Å; I532-H540 HydrophobicContact CG2-CB 3.83Å; H536-H540 PolarHBondContact O-CD2 3.11Å; A537-H540 PolarHBondContact O-N 3.2Å; H540-G542 VanDerWaalsContact C-N 3.26Å; H540-G542 PolarHBondContact O-N 3.25Å; H540-L543 WeakPolarHBondContact O-CB 3Å; H540-L543 PolarHBondContact O-N 3.43Å; H540-L543 VanDerWaalsContact O-N 3.14Å; H540-I572 HydrophobicContact CB-CD1 4.34Å; H540-W575 AromaticContact CE1-CD1 3.85Å; H540-W575 AromaticContact CE1-NE1 3.91Å; H540-W575 AromaticContact ND1-CD1 3.99Å; H540-W575 AromaticContact ND1-NE1 3.99Å
541	T	94.4	Very high	96	Very high	2 Å²	2	14.1 Å²	14.1	1%	0.012	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-32.5	-174.3	50.1	0	0	0	0	112.4	W96 F135 C504 E506 A537 L543	W96-T541 WeakPolarHBondContact CZ2-O 3.46Å; F135-T541 HydrophobicContact CE2-CG2 4.06Å; F135-T541 HydrophobicContact CZ-CG2 4.4Å; C504-T541 PolarHBondContact O-N 2.86Å; E506-T541 WeakPolarHBondContact CB-OG1 3.22Å; E506-T541 PolarHBondContact N-OG1 3.22Å; A537-T541 HydrophobicContact CB-CG2 3.9Å; A537-T541 WeakPolarHBondContact O-CG2 3.07Å; A537-T541 PolarHBondContact O-N 2.63Å; A537-T541 PolarHBondContact O-OG1 3.31Å; T541-L543 PolarHBondContact O-N 2.81Å
542	G	96.1	Very high	95.8	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-12	176.4	0	0	0	0	0	115.1	E70 C504 G505 H540 I544 K545 L546	E70-G542 WeakPolarHBondContact OE1-CA 3.26Å; C504-G542 VanDerWaalsContact O-CA 3.32Å; C504-G542 WeakPolarHBondContact O-CA 3.21Å; C504-G542 PolarHBondContact O-N 2.69Å; G505-G542 WeakPolarHBondContact O-CA 3.31Å; H540-G542 VanDerWaalsContact C-N 3.26Å; H540-G542 PolarHBondContact O-N 3.25Å; G542-I544 VanDerWaalsContact C-N 3.28Å; G542-I544 PolarHBondContact O-N 3.36Å; G542-K545 PolarHBondContact O-N 2.91Å; G542-L546 WeakPolarHBondContact O-CB 3.46Å; G542-L546 PolarHBondContact O-N 3.49Å
543	L	97.5	Very high	95.7	Very high	2 Å²	2	18 Å²	18	1%	0.01	9%	0.085	C	C	.	.	H	α-helix	trans	-59	-39	-177.7	-179.4	59.5	0	0	0	112.1	C504 V530 H540 T541 L546 L547 L566 I572 L576	C504-L543 HydrophobicContact CB-CB 4.37Å; C504-L543 PolarHBondContact O-N 3.31Å; V530-L543 HydrophobicContact CG1-CD1 4.12Å; V530-L543 HydrophobicContact CG2-CD1 4.41Å; H540-L543 WeakPolarHBondContact O-CB 3Å; H540-L543 PolarHBondContact O-N 3.43Å; H540-L543 VanDerWaalsContact O-N 3.14Å; T541-L543 PolarHBondContact O-N 2.81Å; L543-L546 HydrophobicContact CD1-CD2 4.47Å; L543-L546 WeakPolarHBondContact O-CB 3.46Å; L543-L546 PolarHBondContact O-N 2.91Å; L543-L547 HydrophobicContact CD1-CD1 4.11Å; L543-L547 HydrophobicContact CD1-CD2 4.33Å; L543-L547 HydrophobicContact CD1-CG 4.02Å; L543-L547 HydrophobicContact CG-CD1 3.97Å; L543-L547 HydrophobicContact CG-CG 4.31Å; L543-L547 VanDerWaalsContact O-CG 3.25Å; L543-L547 WeakPolarHBondContact O-CG 3.44Å; L543-L547 PolarHBondContact O-N 3.44Å; L543-L566 HydrophobicContact CD2-CD1 3.9Å; L543-L566 HydrophobicContact CD2-CD2 4.16Å; L543-I572 HydrophobicContact CD2-CD1 4.19Å; L543-L576 HydrophobicContact CD2-CD1 4.35Å
544	I	96.6	Very high	95.6	Very high	1 Å²	1	18.1 Å²	18.1	1%	0.005	9%	0.086	C	C	.	.	H	α-helix	trans	-64.8	-49.9	-176.6	-66.9	169.5	0	0	0	110.5	W96 G542 L546 L547 Q548 W575 L576 Y579 I586	W96-I544 HydrophobicContact CB-CG2 3.82Å; W96-I544 HydrophobicContact CD2-CB 3.73Å; W96-I544 HydrophobicContact CD2-CD1 4.16Å; W96-I544 HydrophobicContact CD2-CG2 3.51Å; W96-I544 HydrophobicContact CE3-CB 4.1Å; W96-I544 HydrophobicContact CE3-CD1 3.63Å; W96-I544 HydrophobicContact CE3-CG1 4.46Å; W96-I544 HydrophobicContact CE3-CG2 3.88Å; W96-I544 HydrophobicContact CG-CB 4.05Å; W96-I544 HydrophobicContact CG-CG2 3.45Å; W96-I544 VanDerWaalsContact CG-CG2 3.45Å; W96-I544 HydrophobicContact CH2-CD1 3.82Å; W96-I544 HydrophobicContact CZ2-CB 4.28Å; W96-I544 HydrophobicContact CZ2-CD1 4.33Å; W96-I544 HydrophobicContact CZ3-CD1 3.41Å; W96-I544 VanDerWaalsContact CZ3-CD1 3.41Å; W96-I544 HydrophobicContact CZ3-CG1 4.5Å; G542-I544 VanDerWaalsContact C-N 3.28Å; G542-I544 PolarHBondContact O-N 3.36Å; I544-L546 VanDerWaalsContact C-N 3.31Å; I544-L546 PolarHBondContact O-N 3.43Å; I544-L547 PolarHBondContact O-N 3.2Å; I544-Q548 WeakPolarHBondContact O-CG 3.4Å; I544-Q548 PolarHBondContact O-N 2.86Å; I544-Q548 VanDerWaalsContact O-N 3.14Å; I544-W575 HydrophobicContact CD1-CZ2 3.95Å; I544-L576 HydrophobicContact CD1-CD2 4.39Å; I544-L576 HydrophobicContact CG1-CD2 4.16Å; I544-Y579 HydrophobicContact CD1-CD1 3.97Å; I544-Y579 HydrophobicContact CD1-CD2 3.99Å; I544-Y579 HydrophobicContact CD1-CE1 4.3Å; I544-Y579 HydrophobicContact CD1-CE2 4.35Å; I544-Y579 HydrophobicContact CD1-CG 3.8Å; I544-Y579 HydrophobicContact CG2-CD1 4.35Å; I544-Y579 HydrophobicContact CG2-CE1 3.73Å; I544-I586 HydrophobicContact CD1-CD1 4.45Å; I544-I586 HydrophobicContact CG1-CD1 4.11Å; I544-I586 HydrophobicContact CG2-CG2 4.34Å
545	K	95.9	Very high	95.5	Very high	8 Å²	8	21.5 Å²	21.5	4%	0.035	11%	0.114	C	C	.	.	H	α-helix	trans	-61.3	-41.6	176.3	-170.1	72.4	178.4	-166.6	0	111	N52 E70 E97 F509 G542 L547 Q548 Q549	N52-K545 PolarHBondContact OD1-NZ 3.46Å; E70-K545 VanDerWaalsContact OE1-CB 3.22Å; E70-K545 WeakPolarHBondContact OE1-CB 3.42Å; E97-K545 IonicContact OE1-NZ 3.61Å; E97-K545 PolarHBondContact OE1-NZ 3.14Å; F509-K545 HydrophobicContact CB-CG 4.16Å; F509-K545 HydrophobicContact CD1-CG 3.79Å; F509-K545 HydrophobicContact CG-CG 4.21Å; G542-K545 PolarHBondContact O-N 2.91Å; K545-L547 PolarHBondContact O-N 3.49Å; K545-Q548 PolarHBondContact O-N 3.4Å; K545-Q549 HydrophobicContact CD-CG 4.15Å; K545-Q549 HydrophobicContact CG-CG 4.1Å; K545-Q549 VanDerWaalsContact O-CB 3.31Å; K545-Q549 WeakPolarHBondContact O-CB 3.47Å; K545-Q549 WeakPolarHBondContact O-CG 3.43Å; K545-Q549 PolarHBondContact O-N 2.8Å
546	L	97.6	Very high	95.5	Very high	2 Å²	2	24.9 Å²	24.9	1%	0.01	13%	0.132	C	C	.	.	H	α-helix	trans	-57.3	-48.3	178	-174.3	80.8	0	0	0	111.7	L501 L512 L524 I527 V530 G542 L543 I544 Q549 R550	L501-L546 HydrophobicContact CD2-CD2 3.51Å; L512-L546 HydrophobicContact CD1-CD1 3.72Å; L524-L546 HydrophobicContact CD2-CD1 3.66Å; I527-L546 HydrophobicContact CD1-CD1 4.03Å; V530-L546 HydrophobicContact CG2-CD2 4.13Å; G542-L546 WeakPolarHBondContact O-CB 3.46Å; G542-L546 PolarHBondContact O-N 3.49Å; L543-L546 HydrophobicContact CD1-CD2 4.47Å; L543-L546 WeakPolarHBondContact O-CB 3.46Å; L543-L546 PolarHBondContact O-N 2.91Å; I544-L546 VanDerWaalsContact C-N 3.31Å; I544-L546 PolarHBondContact O-N 3.43Å; L546-Q549 PolarHBondContact O-N 3.18Å; L546-R550 VanDerWaalsContact O-CB 3.26Å; L546-R550 WeakPolarHBondContact O-CB 3.17Å; L546-R550 PolarHBondContact O-N 3.27Å
547	L	97.6	Very high	95.5	Very high	5 Å²	5	25.1 Å²	25.1	3%	0.026	14%	0.135	C	C	.	.	H	α-helix	trans	-63.8	-45.7	-178.7	-68.2	172.4	0	0	0	111.8	L543 I544 K545 R550 Q551 V564 H589 F590	L543-L547 HydrophobicContact CD1-CD1 4.11Å; L543-L547 HydrophobicContact CD1-CD2 4.33Å; L543-L547 HydrophobicContact CD1-CG 4.02Å; L543-L547 HydrophobicContact CG-CD1 3.97Å; L543-L547 HydrophobicContact CG-CG 4.31Å; L543-L547 VanDerWaalsContact O-CG 3.25Å; L543-L547 WeakPolarHBondContact O-CG 3.44Å; L543-L547 PolarHBondContact O-N 3.44Å; I544-L547 PolarHBondContact O-N 3.2Å; K545-L547 PolarHBondContact O-N 3.49Å; L547-R550 PolarHBondContact O-N 3.1Å; L547-Q551 PolarHBondContact O-N 3.05Å; L547-V564 HydrophobicContact CD2-CB 4.24Å; L547-V564 HydrophobicContact CD2-CG2 4.18Å; L547-H589 HydrophobicContact CB-CB 3.9Å; L547-H589 HydrophobicContact CD1-CB 4.06Å; L547-H589 HydrophobicContact CD2-CB 4Å; L547-H589 HydrophobicContact CG-CB 4.19Å; L547-H589 PolarHBondContact O-CD2 3.18Å; L547-F590 HydrophobicContact CD1-CD1 4.04Å
548	Q	95.7	Very high	95.7	Very high	30 Å²	30	27.4 Å²	27.4	14%	0.14	16%	0.161	C	C	.	.	H	α-helix	trans	-61.4	-46.4	176.9	-69.7	176.3	-30.7	0	0	111.5	I544 K545 R550 Q551 R552 E584	I544-Q548 WeakPolarHBondContact O-CG 3.4Å; I544-Q548 PolarHBondContact O-N 2.86Å; I544-Q548 VanDerWaalsContact O-N 3.14Å; K545-Q548 PolarHBondContact O-N 3.4Å; Q548-R550 PolarHBondContact O-N 2.74Å; Q548-Q551 PolarHBondContact O-N 2.97Å; Q548-R552 PolarHBondContact O-N 3.07Å; Q548-R552 VanDerWaalsContact O-N 3.13Å; Q548-E584 PolarHBondContact NE2-OE2 2.83Å
549	Q	95.9	Very high	95.8	Very high	21 Å²	21	30.1 Å²	30.1	10%	0.098	18%	0.175	C	C	.	.	H	α-helix	trans	-71.1	-31.4	-179	-68	-64.5	-38.9	0	0	112.6	F509 L524 K545 L546 R552 A553	F509-Q549 HydrophobicContact CD1-CG 3.91Å; F509-Q549 HydrophobicContact CD2-CB 3.88Å; F509-Q549 HydrophobicContact CD2-CG 4.08Å; F509-Q549 HydrophobicContact CE1-CB 4.35Å; F509-Q549 HydrophobicContact CE1-CG 3.58Å; F509-Q549 HydrophobicContact CE2-CB 3.64Å; F509-Q549 HydrophobicContact CE2-CG 3.81Å; F509-Q549 HydrophobicContact CG-CB 4.36Å; F509-Q549 HydrophobicContact CG-CG 4.12Å; F509-Q549 HydrophobicContact CZ-CB 3.87Å; F509-Q549 HydrophobicContact CZ-CG 3.53Å; L524-Q549 HydrophobicContact CD1-CB 4.11Å; K545-Q549 HydrophobicContact CD-CG 4.15Å; K545-Q549 HydrophobicContact CG-CG 4.1Å; K545-Q549 VanDerWaalsContact O-CB 3.31Å; K545-Q549 WeakPolarHBondContact O-CB 3.47Å; K545-Q549 WeakPolarHBondContact O-CG 3.43Å; K545-Q549 PolarHBondContact O-N 2.8Å; L546-Q549 PolarHBondContact O-N 3.18Å; Q549-R552 PolarHBondContact O-N 2.96Å; Q549-A553 WeakPolarHBondContact O-CB 3.34Å; Q549-A553 PolarHBondContact O-N 2.97Å
550	R	97	Very high	95.7	Very high	10 Å²	10	35.2 Å²	35.2	4%	0.038	21%	0.208	C	C	.	.	H	α-helix	trans	-65.9	-42.5	171.9	-176.9	176	173.2	-76.3	0.1	111.6	L524 I527 L546 L547 Q548 R552 A553 L554 S562	L524-R550 HydrophobicContact CB-CB 4.46Å; L524-R550 WeakPolarHBondContact O-CD 3.37Å; L524-R550 PolarHBondContact O-NE 3.32Å; I527-R550 PolarHBondContact O-NE 3.35Å; I527-R550 PolarHBondContact O-NH2 3.48Å; L546-R550 VanDerWaalsContact O-CB 3.26Å; L546-R550 WeakPolarHBondContact O-CB 3.17Å; L546-R550 PolarHBondContact O-N 3.27Å; L547-R550 PolarHBondContact O-N 3.1Å; Q548-R550 PolarHBondContact O-N 2.74Å; R550-R552 VanDerWaalsContact C-N 3.34Å; R550-R552 PolarHBondContact O-N 2.67Å; R550-A553 PolarHBondContact O-N 2.93Å; R550-L554 HydrophobicContact CG-CD1 4.44Å; R550-L554 HydrophobicContact CG-CG 4.46Å; R550-L554 WeakPolarHBondContact O-CG 3.5Å; R550-L554 PolarHBondContact O-N 3.08Å; R550-S562 PolarHBondContact NH1-O 2.92Å; R550-S562 PolarHBondContact NH2-OG 2.89Å
551	Q	96.6	Very high	95.7	Very high	80 Å²	80	39.4 Å²	39.4	37%	0.374	23%	0.226	S	C	.	.	H	α-helix	trans	-57.9	-48.1	174.2	180	-174.6	5.2	0	0	111.1	L547 Q548 A553 L554 A555 F561 H589	L547-Q551 PolarHBondContact O-N 3.05Å; Q548-Q551 PolarHBondContact O-N 2.97Å; Q551-A553 VanDerWaalsContact C-N 3.34Å; Q551-A553 PolarHBondContact O-N 2.71Å; Q551-L554 PolarHBondContact O-N 3.08Å; Q551-A555 PolarHBondContact O-N 3.15Å; Q551-F561 HydrophobicContact CB-CD2 4.38Å; Q551-F561 HydrophobicContact CB-CE2 4.12Å; Q551-F561 HydrophobicContact CG-CD2 3.99Å; Q551-F561 HydrophobicContact CG-CE2 3.99Å; Q551-H589 PolarHBondContact OE1-CE1 3.11Å; Q551-H589 PolarHBondContact OE1-NE2 2.56Å
552	R	94.5	Very high	95.7	Very high	82 Å²	82	41.6 Å²	41.6	31%	0.309	24%	0.241	S	C	.	.	H	α-helix	trans	-56.8	-46.8	174.4	-178.9	-168.5	140.5	-70.6	-12.9	111.6	R49 D521 Q548 Q549 R550 L554 A555 N556	R49-R552 VanDerWaalsContact NH2-NH2 3.12Å; D521-R552 IonicContact OD1-CZ 3.22Å; D521-R552 IonicContact OD1-NH1 2.81Å; D521-R552 PolarHBondContact OD1-NH1 3.45Å; D521-R552 IonicContact OD1-NH2 3.11Å; D521-R552 IonicContact OD2-NH1 2.7Å; D521-R552 IonicContact OD2-NH2 3.68Å; Q548-R552 PolarHBondContact O-N 3.07Å; Q548-R552 VanDerWaalsContact O-N 3.13Å; Q549-R552 PolarHBondContact O-N 2.96Å; R550-R552 VanDerWaalsContact C-N 3.34Å; R550-R552 PolarHBondContact O-N 2.67Å; R552-L554 PolarHBondContact O-N 3.02Å; R552-A555 PolarHBondContact O-N 3.39Å; R552-N556 PolarHBondContact NH2-ND2 3.38Å; R552-N556 WeakPolarHBondContact O-CB 3.43Å; R552-N556 VanDerWaalsContact O-CG 3.27Å; R552-N556 PolarHBondContact O-N 3.32Å; R552-N556 PolarHBondContact O-OD1 3.32Å
553	A	94.9	Very high	95.6	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-61	-43.2	179.6	0	0	0	0	0	112.6	D521 L524 Q549 R550 Q551 N556 L557	D521-A553 HydrophobicContact CB-CB 3.88Å; D521-A553 WeakPolarHBondContact OD1-CA 3.25Å; D521-A553 WeakPolarHBondContact OD1-CB 3.29Å; L524-A553 HydrophobicContact CB-CB 3.9Å; L524-A553 HydrophobicContact CD1-CB 3.91Å; Q549-A553 WeakPolarHBondContact O-CB 3.34Å; Q549-A553 PolarHBondContact O-N 2.97Å; R550-A553 PolarHBondContact O-N 2.93Å; Q551-A553 VanDerWaalsContact C-N 3.34Å; Q551-A553 PolarHBondContact O-N 2.71Å; A553-N556 PolarHBondContact O-N 3.04Å; A553-L557 WeakPolarHBondContact O-CB 3.25Å; A553-L557 VanDerWaalsContact O-CG 3.25Å; A553-L557 WeakPolarHBondContact O-CG 3.49Å; A553-L557 PolarHBondContact O-N 2.99Å
554	L	95.9	Very high	95.6	Very high	3 Å²	3	44.4 Å²	44.4	2%	0.016	26%	0.26	C	S	.	.	H	α-helix	trans	-62.6	-45.7	176.8	-69.7	177.3	0	0	0	111.5	R550 Q551 R552 L557 G558 I559 F561	R550-L554 HydrophobicContact CG-CD1 4.44Å; R550-L554 HydrophobicContact CG-CG 4.46Å; R550-L554 WeakPolarHBondContact O-CG 3.5Å; R550-L554 PolarHBondContact O-N 3.08Å; Q551-L554 PolarHBondContact O-N 3.08Å; R552-L554 PolarHBondContact O-N 3.02Å; L554-L557 PolarHBondContact O-N 3.46Å; L554-G558 PolarHBondContact O-N 2.81Å; L554-G558 VanDerWaalsContact O-N 3.08Å; L554-I559 CarbonylContact C-O 3.59Å; L554-I559 HydrophobicContact CD2-CB 3.8Å; L554-I559 HydrophobicContact CD2-CD1 4.29Å; L554-I559 HydrophobicContact CD2-CG2 3.7Å; L554-I559 PolarHBondContact O-N 3.08Å; L554-F561 HydrophobicContact CD1-CD2 4.38Å
555	A	95.7	Very high	95.7	Very high	72 Å²	72	46.5 Å²	46.5	60%	0.595	27%	0.268	S	S	*	.	H	α-helix	trans	-60.1	-47.2	176.2	0	0	0	0	0	111.7	Q551 R552 L557 G558	Q551-A555 PolarHBondContact O-N 3.15Å; R552-A555 PolarHBondContact O-N 3.39Å; A555-L557 VanDerWaalsContact C-N 3.29Å; A555-L557 PolarHBondContact O-N 3.43Å; A555-G558 PolarHBondContact O-N 3.44Å
556	N	92.9	Very high	95.8	Very high	101 Å²	101	46.1 Å²	46.1	54%	0.54	27%	0.266	S	S	.	.	H	α-helix	trans	-63.1	-33.8	178.7	-73.3	4.4	0	0	0	113.1	R552 A553 G558	R552-N556 PolarHBondContact NH2-ND2 3.38Å; R552-N556 WeakPolarHBondContact O-CB 3.43Å; R552-N556 VanDerWaalsContact O-CG 3.27Å; R552-N556 PolarHBondContact O-N 3.32Å; R552-N556 PolarHBondContact O-OD1 3.32Å; A553-N556 PolarHBondContact O-N 3.04Å; N556-G558 VanDerWaalsContact C-N 3.31Å
557	L	94.7	Very high	95.8	Very high	71 Å²	71	46.1 Å²	46.1	37%	0.372	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-1.3	177.1	-67	174.5	0	0	0	113.3	D521 A553 L554 A555 I559	D521-L557 HydrophobicContact CB-CD1 4.17Å; D521-L557 HydrophobicContact CB-CG 4.29Å; D521-L557 WeakPolarHBondContact O-CD1 3.45Å; A553-L557 WeakPolarHBondContact O-CB 3.25Å; A553-L557 VanDerWaalsContact O-CG 3.25Å; A553-L557 WeakPolarHBondContact O-CG 3.49Å; A553-L557 PolarHBondContact O-N 2.99Å; L554-L557 PolarHBondContact O-N 3.46Å; A555-L557 VanDerWaalsContact C-N 3.29Å; A555-L557 PolarHBondContact O-N 3.43Å; L557-I559 HydrophobicContact CB-CD1 3.84Å; L557-I559 HydrophobicContact CB-CG1 3.9Å; L557-I559 HydrophobicContact CD1-CD1 4.01Å; L557-I559 PolarHBondContact O-N 3.04Å
558	G	95.3	Very high	95.8	Very high	68 Å²	68	45.9 Å²	45.9	70%	0.701	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.7	20.9	-175.2	0	0	0	0	0	114	L554 A555 N556	L554-G558 PolarHBondContact O-N 2.81Å; L554-G558 VanDerWaalsContact O-N 3.08Å; A555-G558 PolarHBondContact O-N 3.44Å; N556-G558 VanDerWaalsContact C-N 3.31Å
559	I	94.2	Very high	95.8	Very high	72 Å²	72	44.5 Å²	44.5	37%	0.369	26%	0.259	S	S	.	.	P	Polyproline II helix	trans	-89.4	131.2	179	-58.5	172.6	0	0	0	108.3	L554 L557 F561	L554-I559 CarbonylContact C-O 3.59Å; L554-I559 HydrophobicContact CD2-CB 3.8Å; L554-I559 HydrophobicContact CD2-CD1 4.29Å; L554-I559 HydrophobicContact CD2-CG2 3.7Å; L554-I559 PolarHBondContact O-N 3.08Å; L557-I559 HydrophobicContact CB-CD1 3.84Å; L557-I559 HydrophobicContact CB-CG1 3.9Å; L557-I559 HydrophobicContact CD1-CD1 4.01Å; L557-I559 PolarHBondContact O-N 3.04Å; I559-F561 PolarHBondContact O-N 2.83Å
560	P	94.9	Very high	95.7	Very high	108 Å²	108	47 Å²	47	70%	0.701	28%	0.275	S	S	*	.	P	Polyproline II helix	trans	-54.7	138.9	176.2	-26.4	34.7	0	0	0	112.3	S562	P560-S562 PolarHBondContact O-N 3.3Å
561	F	95.6	Very high	95.6	Very high	90 Å²	90	50.5 Å²	50.5	40%	0.395	29%	0.292	S	S	.	.	P	Polyproline II helix	trans	-60.2	134.1	177.1	177.9	-97.3	0	0	0	111	Q551 L554 I559 H588	Q551-F561 HydrophobicContact CB-CD2 4.38Å; Q551-F561 HydrophobicContact CB-CE2 4.12Å; Q551-F561 HydrophobicContact CG-CD2 3.99Å; Q551-F561 HydrophobicContact CG-CE2 3.99Å; L554-F561 HydrophobicContact CD1-CD2 4.38Å; I559-F561 PolarHBondContact O-N 2.83Å; F561-H588 AromaticContact CE1-CD2 4Å; F561-H588 WeakPolarHBondContact CE1-O 3.48Å; F561-H588 AromaticContact CZ-CD2 3.66Å
562	S	93.7	Very high	95.5	Very high	48 Å²	48	46.7 Å²	46.7	34%	0.336	27%	0.274	S	S	.	.			trans	-138.1	137.2	173.8	50.9	0	0	0	0	109.3	R550 P560	R550-S562 PolarHBondContact NH1-O 2.92Å; R550-S562 PolarHBondContact NH2-OG 2.89Å; P560-S562 PolarHBondContact O-N 3.3Å
563	P	95.9	Very high	95.5	Very high	59 Å²	59	45.6 Å²	45.6	38%	0.383	27%	0.274	S	S	.	.			trans	-70.2	149.3	174.7	28.8	-33.5	0	0	0	111	H589	P563-H589 CarbonylContact C-O 3.53Å; P563-H589 VanDerWaalsContact CA-O 3.29Å; P563-H589 WeakPolarHBondContact CA-O 3.3Å
564	V	96.8	Very high	95.5	Very high	2 Å²	2	48.3 Å²	48.3	1%	0.012	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	141.5	172.4	172.6	0	0	0	0	109.8	V530 L547 L566 H589 F590 S591	V530-V564 HydrophobicContact CB-CG1 4.19Å; V530-V564 HydrophobicContact CG2-CG1 3.64Å; L547-V564 HydrophobicContact CD2-CB 4.24Å; L547-V564 HydrophobicContact CD2-CG2 4.18Å; V564-L566 PolarHBondContact O-N 3.31Å; V564-H589 PolarHBondContact N-O 2.99Å; V564-F590 CarbonylContact O-C 3.58Å; V564-F590 WeakPolarHBondContact O-CA 3.22Å; V564-F590 WeakPolarHBondContact O-CB 3.45Å; V564-S591 PolarHBondContact O-N 2.83Å
565	Y	97.6	Very high	95.4	Very high	44 Å²	44	48.2 Å²	48.2	17%	0.173	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	112.4	169.3	-59.4	-73.6	0	0	0	109.7	S528 A529 V530 I593 S612 S615 M616	S528-Y565 VanDerWaalsContact O-CD2 3.32Å; S528-Y565 WeakPolarHBondContact O-CD2 3.49Å; S528-Y565 PolarHBondContact O-N 3.18Å; A529-Y565 CarbonylContact C-O 3.6Å; A529-Y565 VanDerWaalsContact CA-O 3.29Å; A529-Y565 WeakPolarHBondContact CA-O 3.46Å; V530-Y565 PolarHBondContact N-O 2.75Å; Y565-I593 HydrophobicContact CD1-CD1 4.33Å; Y565-S612 WeakPolarHBondContact CE1-O 3.47Å; Y565-S615 WeakPolarHBondContact OH-CB 3.24Å; Y565-M616 HydrophobicContact CD1-CB 4.03Å; Y565-M616 HydrophobicContact CD2-CB 3.76Å; Y565-M616 HydrophobicContact CD2-CG 3.86Å; Y565-M616 HydrophobicContact CE1-CB 4.43Å; Y565-M616 HydrophobicContact CE2-CB 4.18Å; Y565-M616 HydrophobicContact CG-CB 3.68Å; Y565-M616 HydrophobicContact CG-CG 3.86Å
566	L	98	Very high	95.3	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.005	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	100.2	-179.3	178	63	0	0	0	109.8	V530 I532 L543 V564 A568 I572 L576 F590 S591 H592 I593	V530-L566 HydrophobicContact CB-CD1 4.24Å; V530-L566 HydrophobicContact CG1-CD1 4.22Å; V530-L566 WeakPolarHBondContact O-CA 3.38Å; I532-L566 HydrophobicContact CG1-CD1 3.86Å; L543-L566 HydrophobicContact CD2-CD1 3.9Å; L543-L566 HydrophobicContact CD2-CD2 4.16Å; V564-L566 PolarHBondContact O-N 3.31Å; L566-A568 HydrophobicContact CD1-CB 4.09Å; L566-A568 HydrophobicContact CG-CB 3.97Å; L566-A568 PolarHBondContact O-N 2.76Å; L566-I572 HydrophobicContact CD2-CG2 4.39Å; L566-L576 HydrophobicContact CD2-CD1 3.93Å; L566-F590 HydrophobicContact CB-CB 3.97Å; L566-F590 HydrophobicContact CB-CD2 4.08Å; L566-F590 HydrophobicContact CB-CG 4.27Å; L566-F590 HydrophobicContact CD2-CB 4.48Å; L566-F590 HydrophobicContact CD2-CD1 4.48Å; L566-F590 HydrophobicContact CD2-CD2 3.7Å; L566-F590 HydrophobicContact CD2-CE2 3.98Å; L566-F590 HydrophobicContact CD2-CG 3.97Å; L566-F590 HydrophobicContact CD2-CZ 4.48Å; L566-S591 PolarHBondContact N-O 2.72Å; L566-H592 WeakPolarHBondContact O-CA 3.43Å; L566-H592 PolarHBondContact O-CD2 3.43Å; L566-I593 PolarHBondContact O-N 3.06Å
567	V	97.9	Very high	95.4	Very high	1 Å²	1	40.7 Å²	40.7	1%	0.006	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	104.9	172.6	-173.7	0	0	0	0	108.3	V530 F531 I532 I593 L598 M616 F625	V530-V567 PolarHBondContact O-N 3.05Å; F531-V567 CarbonylContact C-O 3.55Å; F531-V567 VanDerWaalsContact CA-O 3.29Å; F531-V567 WeakPolarHBondContact CA-O 3.4Å; F531-V567 HydrophobicContact CD2-CB 4Å; F531-V567 HydrophobicContact CD2-CG1 3.78Å; F531-V567 HydrophobicContact CE2-CG1 4.26Å; I532-V567 PolarHBondContact N-O 2.93Å; V567-I593 WeakPolarHBondContact CA-O 3.5Å; V567-I593 HydrophobicContact CG2-CB 4.17Å; V567-I593 HydrophobicContact CG2-CD1 4.26Å; V567-L598 HydrophobicContact CG1-CD1 3.69Å; V567-M616 HydrophobicContact CG2-CE 4.48Å; V567-M616 HydrophobicContact CG2-SD 3.66Å; V567-F625 HydrophobicContact CG1-CE1 3.99Å
568	A	97.6	Very high	95.3	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	161	-172.4	0	0	0	0	0	112.7	I532 L566 V570 I572 H592 I593 S595	I532-A568 HydrophobicContact CB-CB 3.92Å; I532-A568 HydrophobicContact CG1-CB 4.33Å; L566-A568 HydrophobicContact CD1-CB 4.09Å; L566-A568 HydrophobicContact CG-CB 3.97Å; L566-A568 PolarHBondContact O-N 2.76Å; A568-V570 PolarHBondContact O-N 3.24Å; A568-I572 HydrophobicContact CB-CD1 4.31Å; A568-I572 HydrophobicContact CB-CG2 3.82Å; A568-H592 PolarHBondContact O-NE2 3.41Å; A568-I593 PolarHBondContact N-O 3.4Å; A568-S595 VanDerWaalsContact CA-OG 3.26Å; A568-S595 WeakPolarHBondContact CA-OG 3.4Å; A568-S595 PolarHBondContact N-OG 2.61Å; A568-S595 PolarHBondContact O-N 2.71Å; A568-S595 PolarHBondContact O-OG 3.22Å
569	P	96.1	Very high	95.2	Very high	2 Å²	2	36.7 Å²	36.7	1%	0.013	21%	0.21	C	C	.	.			trans	-56.8	137.5	168	-18.9	28.3	0	0	0	110.8	I532 L535 Q571 I572 N635 F637	I532-P569 VanDerWaalsContact O-CD 3.31Å; I532-P569 WeakPolarHBondContact O-CD 3.42Å; L535-P569 HydrophobicContact CD1-CB 3.72Å; L535-P569 HydrophobicContact CD1-CG 3.86Å; P569-Q571 VanDerWaalsContact CB-OE1 3.32Å; P569-Q571 PolarHBondContact O-N 3.39Å; P569-I572 WeakPolarHBondContact O-CB 3.49Å; P569-I572 VanDerWaalsContact O-CG2 3.23Å; P569-I572 WeakPolarHBondContact O-CG2 3.48Å; P569-I572 PolarHBondContact O-N 3.11Å; P569-N635 HydrophobicContact CB-CB 4.33Å; P569-N635 WeakPolarHBondContact CG-O 3.42Å; P569-F637 HydrophobicContact CB-CE2 4.03Å; P569-F637 HydrophobicContact CG-CD2 3.86Å; P569-F637 HydrophobicContact CG-CE2 3.87Å
570	V	94.4	Very high	95.2	Very high	72 Å²	72	34.8 Å²	34.8	44%	0.436	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-29	-177.6	179.9	0	0	0	0	112.2	A568 I572 L573 P594	A568-V570 PolarHBondContact O-N 3.24Å; V570-I572 PolarHBondContact O-N 2.94Å; V570-I572 VanDerWaalsContact O-N 3.15Å; V570-L573 HydrophobicContact CG1-CD1 4.39Å; V570-L573 WeakPolarHBondContact O-CB 3.16Å; V570-L573 WeakPolarHBondContact O-CG 3.42Å; V570-L573 PolarHBondContact O-N 2.77Å; V570-L573 VanDerWaalsContact O-N 3.09Å; V570-P594 HydrophobicContact CG2-CB 3.8Å; V570-P594 HydrophobicContact CG2-CG 4.2Å
571	Q	93.9	Very high	95	Very high	85 Å²	85	33.4 Å²	33.4	40%	0.397	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-25.7	-180	-65.1	74.5	19	0	0	112.8	L535 P569 L573 A574 N635	L535-Q571 HydrophobicContact CD1-CB 3.95Å; L535-Q571 HydrophobicContact CD2-CB 3.83Å; P569-Q571 VanDerWaalsContact CB-OE1 3.32Å; P569-Q571 PolarHBondContact O-N 3.39Å; Q571-L573 PolarHBondContact O-N 3.48Å; Q571-A574 WeakPolarHBondContact O-CB 3.09Å; Q571-A574 PolarHBondContact O-N 3.12Å; Q571-A574 VanDerWaalsContact O-N 3.14Å; Q571-N635 VanDerWaalsContact CD-ND2 3.31Å; Q571-N635 PolarHBondContact NE2-ND2 3.23Å
572	I	94.9	Very high	94.7	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-60.7	-29.5	177.7	-156.6	173.7	0	0	0	111.7	I532 H540 L543 L566 A568 P569 V570 A574 W575 L576	I532-I572 HydrophobicContact CB-CD1 4.38Å; I532-I572 HydrophobicContact CG1-CD1 4.08Å; I532-I572 HydrophobicContact CG2-CD1 4.2Å; H540-I572 HydrophobicContact CB-CD1 4.34Å; L543-I572 HydrophobicContact CD2-CD1 4.19Å; L566-I572 HydrophobicContact CD2-CG2 4.39Å; A568-I572 HydrophobicContact CB-CD1 4.31Å; A568-I572 HydrophobicContact CB-CG2 3.82Å; P569-I572 WeakPolarHBondContact O-CB 3.49Å; P569-I572 VanDerWaalsContact O-CG2 3.23Å; P569-I572 WeakPolarHBondContact O-CG2 3.48Å; P569-I572 PolarHBondContact O-N 3.11Å; V570-I572 PolarHBondContact O-N 2.94Å; V570-I572 VanDerWaalsContact O-N 3.15Å; I572-A574 PolarHBondContact O-N 3.22Å; I572-W575 WeakPolarHBondContact O-CB 3.24Å; I572-W575 PolarHBondContact O-N 3.2Å; I572-W575 VanDerWaalsContact O-N 3.14Å; I572-L576 HydrophobicContact CD1-CD1 4.35Å; I572-L576 HydrophobicContact CG1-CD1 4.07Å; I572-L576 HydrophobicContact CG1-CG 4.19Å; I572-L576 HydrophobicContact CG2-CD1 4.32Å; I572-L576 WeakPolarHBondContact O-CG 3.5Å; I572-L576 PolarHBondContact O-N 3.33Å
573	L	95	Very high	94.6	Very high	59 Å²	59	29.8 Å²	29.8	31%	0.309	17%	0.166	S	C	.	.	H	α-helix	trans	-64.8	-29.2	179.8	-61.1	-178.3	0	0	0	112.5	V570 Q571 G577 F590 H592	V570-L573 HydrophobicContact CG1-CD1 4.39Å; V570-L573 WeakPolarHBondContact O-CB 3.16Å; V570-L573 WeakPolarHBondContact O-CG 3.42Å; V570-L573 PolarHBondContact O-N 2.77Å; V570-L573 VanDerWaalsContact O-N 3.09Å; Q571-L573 PolarHBondContact O-N 3.48Å; L573-G577 WeakPolarHBondContact O-CA 3.37Å; L573-G577 PolarHBondContact O-N 2.82Å; L573-F590 HydrophobicContact CD2-CE2 3.67Å; L573-F590 HydrophobicContact CD2-CZ 4.03Å; L573-H592 HydrophobicContact CD2-CB 4.06Å
574	A	93.3	Very high	94.4	Very high	57 Å²	57	28.5 Å²	28.5	47%	0.471	16%	0.155	S	C	.	.	H	α-helix	trans	-66.2	-41.5	175.2	0	0	0	0	0	111.1	Q571 I572 Q578	Q571-A574 WeakPolarHBondContact O-CB 3.09Å; Q571-A574 PolarHBondContact O-N 3.12Å; Q571-A574 VanDerWaalsContact O-N 3.14Å; I572-A574 PolarHBondContact O-N 3.22Å; A574-Q578 WeakPolarHBondContact O-CB 3.45Å; A574-Q578 VanDerWaalsContact O-CG 3.24Å; A574-Q578 WeakPolarHBondContact O-CG 3.43Å; A574-Q578 PolarHBondContact O-N 2.84Å; A574-Q578 VanDerWaalsContact O-N 3.1Å
575	W	93.9	Very high	94.2	Very high	1 Å²	1	32.8 Å²	32.8	0%	0.004	18%	0.175	C	C	.	.	H	α-helix	trans	-66.6	-53	175	162.3	-120.2	0	0	0	111.5	W96 Y128 A131 I132 F135 H540 I544 I572 G577 Q578 Y579	W96-W575 HydrophobicContact CH2-CZ2 4.09Å; W96-W575 HydrophobicContact CZ3-CH2 4.33Å; W96-W575 AromaticContact CZ3-CZ2 3.86Å; W96-W575 HydrophobicContact CZ3-CZ2 3.86Å; Y128-W575 HydrophobicContact CD2-CH2 4.44Å; Y128-W575 AromaticContact CE2-CH2 3.72Å; Y128-W575 HydrophobicContact CE2-CH2 3.72Å; Y128-W575 HydrophobicContact CE2-CZ3 4.34Å; A131-W575 HydrophobicContact CB-CE3 3.74Å; A131-W575 HydrophobicContact CB-CZ3 3.51Å; I132-W575 HydrophobicContact CG1-CH2 4.14Å; I132-W575 HydrophobicContact CG1-CZ3 4.25Å; F135-W575 HydrophobicContact CD1-CD2 4.06Å; F135-W575 HydrophobicContact CD1-CE3 4.19Å; F135-W575 HydrophobicContact CD1-CG 4.28Å; F135-W575 AromaticContact CE1-CD2 3.51Å; F135-W575 HydrophobicContact CE1-CD2 3.51Å; F135-W575 AromaticContact CE1-CE2 3.67Å; F135-W575 AromaticContact CE1-CE3 3.51Å; F135-W575 HydrophobicContact CE1-CE3 3.51Å; F135-W575 HydrophobicContact CE1-CG 4.17Å; F135-W575 AromaticContact CE1-CH2 3.77Å; F135-W575 HydrophobicContact CE1-CH2 3.77Å; F135-W575 AromaticContact CE1-CZ2 3.8Å; F135-W575 HydrophobicContact CE1-CZ2 3.8Å; F135-W575 AromaticContact CE1-CZ3 3.63Å; F135-W575 HydrophobicContact CE1-CZ3 3.63Å; F135-W575 HydrophobicContact CZ-CH2 4.02Å; F135-W575 HydrophobicContact CZ-CZ2 4.02Å; F135-W575 HydrophobicContact CZ-CZ3 4.29Å; H540-W575 AromaticContact CE1-CD1 3.85Å; H540-W575 AromaticContact CE1-NE1 3.91Å; H540-W575 AromaticContact ND1-CD1 3.99Å; H540-W575 AromaticContact ND1-NE1 3.99Å; I544-W575 HydrophobicContact CD1-CZ2 3.95Å; I572-W575 WeakPolarHBondContact O-CB 3.24Å; I572-W575 PolarHBondContact O-N 3.2Å; I572-W575 VanDerWaalsContact O-N 3.14Å; W575-G577 VanDerWaalsContact C-N 3.3Å; W575-G577 PolarHBondContact O-N 2.83Å; W575-Q578 PolarHBondContact O-N 3.06Å; W575-Y579 PolarHBondContact O-N 3.45Å
576	L	95.3	Very high	94.1	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.005	17%	0.166	C	C	.	.	H	α-helix	trans	-65.3	-34.6	-177.8	-61	176.6	0	0	0	112.1	L543 I544 L566 I572 Y579 H580 I586 L587 F590	L543-L576 HydrophobicContact CD2-CD1 4.35Å; I544-L576 HydrophobicContact CD1-CD2 4.39Å; I544-L576 HydrophobicContact CG1-CD2 4.16Å; L566-L576 HydrophobicContact CD2-CD1 3.93Å; I572-L576 HydrophobicContact CD1-CD1 4.35Å; I572-L576 HydrophobicContact CG1-CD1 4.07Å; I572-L576 HydrophobicContact CG1-CG 4.19Å; I572-L576 HydrophobicContact CG2-CD1 4.32Å; I572-L576 WeakPolarHBondContact O-CG 3.5Å; I572-L576 PolarHBondContact O-N 3.33Å; L576-Y579 PolarHBondContact O-N 3.27Å; L576-H580 VanDerWaalsContact O-CB 3.29Å; L576-H580 WeakPolarHBondContact O-CB 3.45Å; L576-H580 PolarHBondContact O-N 3.19Å; L576-I586 HydrophobicContact CB-CD1 3.9Å; L576-I586 HydrophobicContact CD2-CD1 3.69Å; L576-I586 HydrophobicContact CG-CD1 4.34Å; L576-L587 HydrophobicContact CB-CD2 4.31Å; L576-F590 HydrophobicContact CB-CE1 4.44Å; L576-F590 HydrophobicContact CB-CZ 4.29Å; L576-F590 HydrophobicContact CD1-CE1 3.75Å; L576-F590 HydrophobicContact CD1-CE2 4.39Å; L576-F590 HydrophobicContact CD1-CZ 3.65Å
577	G	94.8	Very high	94	Very high	14 Å²	14	33.9 Å²	33.9	14%	0.144	18%	0.183	C	C	.	.	H	α-helix	trans	-66.8	-45.2	174.3	0	0	0	0	0	112.6	L573 W575 Y579 H580 D581	L573-G577 WeakPolarHBondContact O-CA 3.37Å; L573-G577 PolarHBondContact O-N 2.82Å; W575-G577 VanDerWaalsContact C-N 3.3Å; W575-G577 PolarHBondContact O-N 2.83Å; G577-Y579 VanDerWaalsContact C-N 3.32Å; G577-Y579 PolarHBondContact O-N 2.81Å; G577-H580 WeakPolarHBondContact O-CB 3.45Å; G577-H580 PolarHBondContact O-N 2.81Å; G577-D581 WeakPolarHBondContact O-CB 3.49Å; G577-D581 VanDerWaalsContact O-CG 3.3Å; G577-D581 PolarHBondContact O-N 3.44Å
578	Q	92.8	Very high	93.9	Very high	54 Å²	54	37.8 Å²	37.8	25%	0.252	20%	0.201	S	C	.	.	H	α-helix	trans	-62.9	-40.3	174.4	-73.4	175.7	32.3	0	0	111.7	A131 A574 W575 F582	A131-Q578 HydrophobicContact CB-CB 3.89Å; A574-Q578 WeakPolarHBondContact O-CB 3.45Å; A574-Q578 VanDerWaalsContact O-CG 3.24Å; A574-Q578 WeakPolarHBondContact O-CG 3.43Å; A574-Q578 PolarHBondContact O-N 2.84Å; A574-Q578 VanDerWaalsContact O-N 3.1Å; W575-Q578 PolarHBondContact O-N 3.06Å; Q578-F582 HydrophobicContact CB-CD2 4.16Å; Q578-F582 HydrophobicContact CB-CE2 4.11Å; Q578-F582 HydrophobicContact CG-CE2 4.19Å; Q578-F582 WeakPolarHBondContact O-CB 3.47Å; Q578-F582 WeakPolarHBondContact O-CD2 3.37Å; Q578-F582 WeakPolarHBondContact O-CG 3.44Å; Q578-F582 PolarHBondContact O-N 3.18Å; Q578-F582 VanDerWaalsContact O-N 3.09Å
579	Y	93.4	Very high	93.9	Very high	1 Å²	1	38 Å²	38	0%	0.004	20%	0.202	C	C	.	.	H	α-helix	trans	-62	-44	173.5	-176	-92.9	0	0	0	112	W96 Y128 I544 W575 L576 G577 F582 C583 E584 I586	W96-Y579 WeakPolarHBondContact CA-OH 3.34Å; W96-Y579 VanDerWaalsContact CB-OH 3.27Å; W96-Y579 WeakPolarHBondContact CB-OH 3.44Å; W96-Y579 HydrophobicContact CE3-CD2 4.11Å; W96-Y579 AromaticContact CE3-CE2 3.48Å; W96-Y579 HydrophobicContact CE3-CE2 3.48Å; W96-Y579 VanDerWaalsContact CE3-CE2 3.48Å; W96-Y579 AromaticContact CE3-CZ 3.89Å; W96-Y579 HydrophobicContact CZ3-CD2 4.28Å; W96-Y579 HydrophobicContact CZ3-CE2 4.08Å; W96-Y579 PolarHBondContact N-OH 2.94Å; Y128-Y579 HydrophobicContact CD2-CD2 4.32Å; Y128-Y579 AromaticContact CE2-CD2 3.91Å; Y128-Y579 HydrophobicContact CE2-CD2 3.91Å; Y128-Y579 HydrophobicContact CE2-CE2 4.13Å; I544-Y579 HydrophobicContact CD1-CD1 3.97Å; I544-Y579 HydrophobicContact CD1-CD2 3.99Å; I544-Y579 HydrophobicContact CD1-CE1 4.3Å; I544-Y579 HydrophobicContact CD1-CE2 4.35Å; I544-Y579 HydrophobicContact CD1-CG 3.8Å; I544-Y579 HydrophobicContact CG2-CD1 4.35Å; I544-Y579 HydrophobicContact CG2-CE1 3.73Å; W575-Y579 PolarHBondContact O-N 3.45Å; L576-Y579 PolarHBondContact O-N 3.27Å; G577-Y579 VanDerWaalsContact C-N 3.32Å; G577-Y579 PolarHBondContact O-N 2.81Å; Y579-F582 PolarHBondContact O-N 3.33Å; Y579-C583 HydrophobicContact CD1-CB 4.44Å; Y579-C583 HydrophobicContact CD2-CB 3.71Å; Y579-C583 HydrophobicContact CE1-CB 4.15Å; Y579-C583 HydrophobicContact CE2-CB 3.31Å; Y579-C583 HydrophobicContact CG-CB 4.25Å; Y579-C583 WeakPolarHBondContact O-CA 3.32Å; Y579-C583 WeakPolarHBondContact O-CB 3.35Å; Y579-C583 PolarHBondContact O-N 3.2Å; Y579-E584 HydrophobicContact CE1-CB 3.91Å; Y579-E584 PolarHBondContact O-N 3.24Å; Y579-E584 PolarHBondContact OH-OE2 2.87Å; Y579-I586 HydrophobicContact CD1-CD1 3.59Å; Y579-I586 HydrophobicContact CD1-CG1 3.9Å; Y579-I586 HydrophobicContact CD1-CG2 3.96Å; Y579-I586 HydrophobicContact CE1-CD1 4.42Å; Y579-I586 HydrophobicContact CE1-CG2 3.77Å; Y579-I586 HydrophobicContact CG-CD1 4.33Å
580	H	93.9	Very high	93.9	Very high	31 Å²	31	38.9 Å²	38.9	14%	0.144	21%	0.206	C	C	.	.	H	α-helix	trans	-60.9	-45.2	177.6	175.3	92.9	0	0	0	113.1	L576 G577 F582 E584 E585 I586 L587	L576-H580 VanDerWaalsContact O-CB 3.29Å; L576-H580 WeakPolarHBondContact O-CB 3.45Å; L576-H580 PolarHBondContact O-N 3.19Å; G577-H580 WeakPolarHBondContact O-CB 3.45Å; G577-H580 PolarHBondContact O-N 2.81Å; H580-F582 VanDerWaalsContact C-N 3.34Å; H580-E584 WeakPolarHBondContact CA-O 3.4Å; H580-E585 WeakPolarHBondContact ND1-CA 3.35Å; H580-I586 HydrophobicContact CB-CG1 4.1Å; H580-I586 PolarHBondContact ND1-N 3.01Å; H580-I586 VanDerWaalsContact ND1-N 3.18Å; H580-L587 HydrophobicContact CB-CD1 4.01Å; H580-L587 HydrophobicContact CB-CD2 4.42Å; H580-L587 HydrophobicContact CB-CG 3.73Å; H580-L587 PolarHBondContact ND1-N 3.06Å
581	D	90.6	Very high	94	Very high	79 Å²	79	37.1 Å²	37.1	42%	0.422	20%	0.196	S	C	.	.	H	α-helix	trans	-68.8	-35.4	-177.5	-73	-12.7	0	0	0	111.7	G577	G577-D581 WeakPolarHBondContact O-CB 3.49Å; G577-D581 VanDerWaalsContact O-CG 3.3Å; G577-D581 PolarHBondContact O-N 3.44Å
582	F	89	Confident	94.1	Very high	52 Å²	52	34.8 Å²	34.8	23%	0.228	19%	0.185	C	C	.	.	H	α-helix	trans	-105.7	-28.3	-169	-56.8	-44.9	0	0	0	115.9	L94 Q124 N127 Q578 Y579 H580	L94-F582 WeakPolarHBondContact CD2-O 3.27Å; Q124-F582 HydrophobicContact CB-CB 4.43Å; Q124-F582 PolarHBondContact OE1-O 3.49Å; Q124-F582 VanDerWaalsContact OE1-O 3.06Å; N127-F582 HydrophobicContact CB-CD1 4.25Å; N127-F582 HydrophobicContact CB-CD2 3.63Å; N127-F582 HydrophobicContact CB-CE1 4.3Å; N127-F582 HydrophobicContact CB-CE2 3.72Å; N127-F582 HydrophobicContact CB-CG 3.93Å; N127-F582 HydrophobicContact CB-CZ 4.05Å; Q578-F582 HydrophobicContact CB-CD2 4.16Å; Q578-F582 HydrophobicContact CB-CE2 4.11Å; Q578-F582 HydrophobicContact CG-CE2 4.19Å; Q578-F582 WeakPolarHBondContact O-CB 3.47Å; Q578-F582 WeakPolarHBondContact O-CD2 3.37Å; Q578-F582 WeakPolarHBondContact O-CG 3.44Å; Q578-F582 PolarHBondContact O-N 3.18Å; Q578-F582 VanDerWaalsContact O-N 3.09Å; Y579-F582 PolarHBondContact O-N 3.33Å; H580-F582 VanDerWaalsContact C-N 3.34Å
583	C	91	Very high	94.1	Very high	11 Å²	11	34.8 Å²	34.8	7%	0.074	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.2	-78.1	-172.1	-55.1	0	0	0	0	111.9	L94 Y128 Y579	L94-C583 HydrophobicContact CD2-CB 4.47Å; L94-C583 HydrophobicContact CG-CB 4.31Å; L94-C583 WeakPolarHBondContact O-CB 3.5Å; Y128-C583 WeakPolarHBondContact CD2-SG 3.37Å; Y579-C583 HydrophobicContact CD1-CB 4.44Å; Y579-C583 HydrophobicContact CD2-CB 3.71Å; Y579-C583 HydrophobicContact CE1-CB 4.15Å; Y579-C583 HydrophobicContact CE2-CB 3.31Å; Y579-C583 HydrophobicContact CG-CB 4.25Å; Y579-C583 WeakPolarHBondContact O-CA 3.32Å; Y579-C583 WeakPolarHBondContact O-CB 3.35Å; Y579-C583 PolarHBondContact O-N 3.2Å
584	E	92.4	Very high	94.1	Very high	32 Å²	32	33.8 Å²	33.8	15%	0.15	18%	0.183	C	C	.	.			trans	-144.1	146.3	-174.1	-63.5	-178.4	118	0	0	111.6	R93 S95 W96 Q548 Y579 H580 I586	R93-E584 IonicContact CZ-OE1 3.67Å; R93-E584 IonicContact NH1-OE1 3.72Å; R93-E584 PolarHBondContact NH1-OE1 3.4Å; R93-E584 IonicContact NH2-OE1 2.85Å; R93-E584 PolarHBondContact NH2-OE1 3.5Å; S95-E584 WeakPolarHBondContact CA-OE2 3.32Å; S95-E584 WeakPolarHBondContact CB-OE1 3.43Å; W96-E584 PolarHBondContact N-OE2 2.75Å; Q548-E584 PolarHBondContact NE2-OE2 2.83Å; Y579-E584 HydrophobicContact CE1-CB 3.91Å; Y579-E584 PolarHBondContact O-N 3.24Å; Y579-E584 PolarHBondContact OH-OE2 2.87Å; H580-E584 WeakPolarHBondContact CA-O 3.4Å; E584-I586 PolarHBondContact O-N 2.84Å
585	E	93	Very high	94.2	Very high	92 Å²	92	31.1 Å²	31.1	43%	0.43	16%	0.16	S	C	.	.			trans	-67.5	115.9	-177.7	-69.6	-167.9	152.1	0	0	113	R223 H580 H589	R223-E585 IonicContact CZ-OE1 3.7Å; R223-E585 VanDerWaalsContact NH1-CD 3.3Å; R223-E585 IonicContact NH1-OE1 3.09Å; R223-E585 PolarHBondContact NH1-OE1 3.44Å; R223-E585 IonicContact NH2-OE1 2.64Å; R223-E585 PolarHBondContact NH2-OE1 2.99Å; H580-E585 WeakPolarHBondContact ND1-CA 3.35Å; E585-H589 PolarHBondContact O-CE1 2.93Å
586	I	94.9	Very high	94.2	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.178	C	C	.	.			trans	-128.4	-11.3	178.4	62.4	161	0	0	0	116.4	I544 L576 Y579 H580 E584 H588 H589	I544-I586 HydrophobicContact CD1-CD1 4.45Å; I544-I586 HydrophobicContact CG1-CD1 4.11Å; I544-I586 HydrophobicContact CG2-CG2 4.34Å; L576-I586 HydrophobicContact CB-CD1 3.9Å; L576-I586 HydrophobicContact CD2-CD1 3.69Å; L576-I586 HydrophobicContact CG-CD1 4.34Å; Y579-I586 HydrophobicContact CD1-CD1 3.59Å; Y579-I586 HydrophobicContact CD1-CG1 3.9Å; Y579-I586 HydrophobicContact CD1-CG2 3.96Å; Y579-I586 HydrophobicContact CE1-CD1 4.42Å; Y579-I586 HydrophobicContact CE1-CG2 3.77Å; Y579-I586 HydrophobicContact CG-CD1 4.33Å; H580-I586 HydrophobicContact CB-CG1 4.1Å; H580-I586 PolarHBondContact ND1-N 3.01Å; H580-I586 VanDerWaalsContact ND1-N 3.18Å; E584-I586 PolarHBondContact O-N 2.84Å; I586-H588 PolarHBondContact O-N 3.26Å; I586-H589 WeakPolarHBondContact CA-ND1 3.41Å; I586-H589 WeakPolarHBondContact O-CB 3.46Å; I586-H589 PolarHBondContact O-N 2.83Å; I586-H589 VanDerWaalsContact O-N 3.14Å; I586-H589 PolarHBondContact O-ND1 2.83Å
587	L	95.7	Very high	94	Very high	68 Å²	68	37.3 Å²	37.3	36%	0.356	19%	0.189	S	C	.	.	G	3₁₀ helix	trans	-69.4	-21.6	-172	-66	179.5	0	0	0	113.5	L576 H580 H589 F590	L576-L587 HydrophobicContact CB-CD2 4.31Å; H580-L587 HydrophobicContact CB-CD1 4.01Å; H580-L587 HydrophobicContact CB-CD2 4.42Å; H580-L587 HydrophobicContact CB-CG 3.73Å; H580-L587 PolarHBondContact ND1-N 3.06Å; L587-H589 VanDerWaalsContact C-N 3.26Å; L587-H589 PolarHBondContact O-N 2.77Å; L587-F590 HydrophobicContact CD2-CE1 3.98Å; L587-F590 HydrophobicContact CD2-CZ 3.61Å
588	H	95.9	Very high	93.8	Very high	83 Å²	83	37.3 Å²	37.3	38%	0.384	19%	0.185	S	C	.	.	G	3₁₀ helix	trans	-79.1	-9.5	176.4	66.7	-91.7	0	0	0	113	F561 I586	F561-H588 AromaticContact CE1-CD2 4Å; F561-H588 WeakPolarHBondContact CE1-O 3.48Å; F561-H588 AromaticContact CZ-CD2 3.66Å; I586-H588 PolarHBondContact O-N 3.26Å
589	H	96.8	Very high	93.7	Very high	5 Å²	5	35.1 Å²	35.1	2%	0.023	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-79.9	-13	-178.8	-63.1	73.9	0	0	0	114.7	L547 Q551 P563 V564 E585 I586 L587	L547-H589 HydrophobicContact CB-CB 3.9Å; L547-H589 HydrophobicContact CD1-CB 4.06Å; L547-H589 HydrophobicContact CD2-CB 4Å; L547-H589 HydrophobicContact CG-CB 4.19Å; L547-H589 PolarHBondContact O-CD2 3.18Å; Q551-H589 PolarHBondContact OE1-CE1 3.11Å; Q551-H589 PolarHBondContact OE1-NE2 2.56Å; P563-H589 CarbonylContact C-O 3.53Å; P563-H589 VanDerWaalsContact CA-O 3.29Å; P563-H589 WeakPolarHBondContact CA-O 3.3Å; V564-H589 PolarHBondContact N-O 2.99Å; E585-H589 PolarHBondContact O-CE1 2.93Å; I586-H589 WeakPolarHBondContact CA-ND1 3.41Å; I586-H589 WeakPolarHBondContact O-CB 3.46Å; I586-H589 PolarHBondContact O-N 2.83Å; I586-H589 VanDerWaalsContact O-N 3.14Å; I586-H589 PolarHBondContact O-ND1 2.83Å; L587-H589 VanDerWaalsContact C-N 3.26Å; L587-H589 PolarHBondContact O-N 2.77Å
590	F	96.8	Very high	93.2	Very high	20 Å²	20	39 Å²	39	9%	0.088	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	152.9	-176	64.8	-92.7	0	0	0	113.4	L547 V564 L566 L573 L576 L587 H592	L547-F590 HydrophobicContact CD1-CD1 4.04Å; V564-F590 CarbonylContact O-C 3.58Å; V564-F590 WeakPolarHBondContact O-CA 3.22Å; V564-F590 WeakPolarHBondContact O-CB 3.45Å; L566-F590 HydrophobicContact CB-CB 3.97Å; L566-F590 HydrophobicContact CB-CD2 4.08Å; L566-F590 HydrophobicContact CB-CG 4.27Å; L566-F590 HydrophobicContact CD2-CB 4.48Å; L566-F590 HydrophobicContact CD2-CD1 4.48Å; L566-F590 HydrophobicContact CD2-CD2 3.7Å; L566-F590 HydrophobicContact CD2-CE2 3.98Å; L566-F590 HydrophobicContact CD2-CG 3.97Å; L566-F590 HydrophobicContact CD2-CZ 4.48Å; L573-F590 HydrophobicContact CD2-CE2 3.67Å; L573-F590 HydrophobicContact CD2-CZ 4.03Å; L576-F590 HydrophobicContact CB-CE1 4.44Å; L576-F590 HydrophobicContact CB-CZ 4.29Å; L576-F590 HydrophobicContact CD1-CE1 3.75Å; L576-F590 HydrophobicContact CD1-CE2 4.39Å; L576-F590 HydrophobicContact CD1-CZ 3.65Å; L587-F590 HydrophobicContact CD2-CE1 3.98Å; L587-F590 HydrophobicContact CD2-CZ 3.61Å; F590-H592 HydrophobicContact CD2-CB 4.24Å; F590-H592 HydrophobicContact CE2-CB 4.2Å
591	S	96.3	Very high	92.4	Very high	34 Å²	34	42.4 Å²	42.4	24%	0.238	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	115.9	165	-174.8	0	0	0	0	108.2	V564 L566 S612	V564-S591 PolarHBondContact O-N 2.83Å; L566-S591 PolarHBondContact N-O 2.72Å; S591-S612 PolarHBondContact OG-OG 3.08Å; S591-S612 VanDerWaalsContact OG-OG 3.13Å
592	H	96	Very high	91.4	Very high	36 Å²	36	39.3 Å²	39.3	17%	0.167	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	133.1	-174.7	177.6	-113.2	0	0	0	111.9	L566 A568 L573 F590	L566-H592 WeakPolarHBondContact O-CA 3.43Å; L566-H592 PolarHBondContact O-CD2 3.43Å; A568-H592 PolarHBondContact O-NE2 3.41Å; L573-H592 HydrophobicContact CD2-CB 4.06Å; F590-H592 HydrophobicContact CD2-CB 4.24Å; F590-H592 HydrophobicContact CE2-CB 4.2Å
593	I	95.4	Very high	90.1	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	113.5	171.5	-59.7	169.9	0	0	0	106.9	Y565 L566 V567 A568 S595 L598 L613 M616	Y565-I593 HydrophobicContact CD1-CD1 4.33Å; L566-I593 PolarHBondContact O-N 3.06Å; V567-I593 WeakPolarHBondContact CA-O 3.5Å; V567-I593 HydrophobicContact CG2-CB 4.17Å; V567-I593 HydrophobicContact CG2-CD1 4.26Å; A568-I593 PolarHBondContact N-O 3.4Å; I593-S595 PolarHBondContact O-N 3.39Å; I593-L598 HydrophobicContact CG2-CD1 4.08Å; I593-L598 HydrophobicContact CG2-CD2 4.31Å; I593-L598 HydrophobicContact CG2-CG 4.37Å; I593-L613 HydrophobicContact CD1-CB 4.43Å; I593-M616 HydrophobicContact CD1-CB 4.26Å; I593-M616 HydrophobicContact CD1-SD 3.96Å
594	P	95.3	Very high	88.4	Confident	39 Å²	39	46 Å²	46	25%	0.253	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	123	-179	-24.9	34.2	0	0	0	112.5	V570 R596 S597	V570-P594 HydrophobicContact CG2-CB 3.8Å; V570-P594 HydrophobicContact CG2-CG 4.2Å; P594-R596 PolarHBondContact O-N 3.5Å; P594-S597 PolarHBondContact O-N 2.85Å; P594-S597 PolarHBondContact O-OG 3.49Å
595	S	94.9	Very high	86.4	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-54.8	-33.4	178.4	-58.3	0	0	0	0	112.8	A568 I593 S597 L598 T627	A568-S595 VanDerWaalsContact CA-OG 3.26Å; A568-S595 WeakPolarHBondContact CA-OG 3.4Å; A568-S595 PolarHBondContact N-OG 2.61Å; A568-S595 PolarHBondContact O-N 2.71Å; A568-S595 PolarHBondContact O-OG 3.22Å; I593-S595 PolarHBondContact O-N 3.39Å; S595-S597 VanDerWaalsContact C-N 3.31Å; S595-S597 PolarHBondContact O-N 3.48Å; S595-L598 PolarHBondContact O-N 2.97Å; S595-T627 PolarHBondContact O-OG1 2.73Å
596	R	93.3	Very high	84.4	Confident	102 Å²	102	52.6 Å²	52.6	39%	0.385	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	-66.5	-25.5	179.1	-174.5	63.9	-177.4	172.8	9.2	113.9	P594 L598 C599 D601 F637	P594-R596 PolarHBondContact O-N 3.5Å; R596-L598 PolarHBondContact O-N 2.97Å; R596-C599 PolarHBondContact O-N 2.86Å; R596-D601 IonicContact CZ-OD1 3.33Å; R596-D601 IonicContact CZ-OD2 2.68Å; R596-D601 IonicContact NH1-OD1 3.61Å; R596-D601 IonicContact NH1-OD2 2.65Å; R596-D601 PolarHBondContact NH1-OD2 3.13Å; R596-D601 VanDerWaalsContact NH1-OD2 3.17Å; R596-D601 IonicContact NH2-OD1 2.72Å; R596-D601 IonicContact NH2-OD2 2.78Å; R596-D601 PolarHBondContact NH2-OD2 3.31Å; R596-F637 HydrophobicContact CB-CE1 4.24Å; R596-F637 HydrophobicContact CB-CZ 4.11Å
597	S	91	Very high	82.4	Confident	31 Å²	31	56.7 Å²	56.7	22%	0.217	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-74.4	-12.7	178.3	66.4	0	0	0	0	112.9	P594 S595	P594-S597 PolarHBondContact O-N 2.85Å; P594-S597 PolarHBondContact O-OG 3.49Å; S595-S597 VanDerWaalsContact C-N 3.31Å; S595-S597 PolarHBondContact O-N 3.48Å
598	L	91.6	Very high	80.5	Confident	14 Å²	14	62.5 Å²	62.5	7%	0.073	33%	0.325	C	S	.	.	G	3₁₀ helix	trans	-100.6	6.2	-179.3	-50.3	180	0	0	0	112.9	V567 I593 S595 R596 L613 F625 T627	V567-L598 HydrophobicContact CG1-CD1 3.69Å; I593-L598 HydrophobicContact CG2-CD1 4.08Å; I593-L598 HydrophobicContact CG2-CD2 4.31Å; I593-L598 HydrophobicContact CG2-CG 4.37Å; S595-L598 PolarHBondContact O-N 2.97Å; R596-L598 PolarHBondContact O-N 2.97Å; L598-L613 HydrophobicContact CD1-CD1 4.45Å; L598-L613 HydrophobicContact CD2-CD1 3.8Å; L598-L613 HydrophobicContact CD2-CD2 3.47Å; L598-L613 VanDerWaalsContact CD2-CD2 3.47Å; L598-L613 HydrophobicContact CD2-CG 4.23Å; L598-F625 HydrophobicContact CD1-CD1 3.75Å; L598-F625 HydrophobicContact CD1-CE1 4.22Å; L598-T627 HydrophobicContact CB-CG2 3.97Å; L598-T627 WeakPolarHBondContact CB-OG1 3.25Å; L598-T627 HydrophobicContact CD1-CG2 4.18Å; L598-T627 PolarHBondContact O-N 2.84Å; L598-T627 PolarHBondContact O-OG1 2.57Å
599	C	91.3	Very high	78.7	Confident	8 Å²	8	64.6 Å²	64.6	5%	0.054	35%	0.346	C	S	.	.	S	Bend	trans	-84.9	147.8	174.2	-58.7	0	0	0	0	111.3	R596 D601 A602 T627	R596-C599 PolarHBondContact O-N 2.86Å; C599-D601 VanDerWaalsContact C-N 3.26Å; C599-D601 WeakPolarHBondContact CB-OD1 3.13Å; C599-D601 PolarHBondContact O-N 3.33Å; C599-A602 WeakPolarHBondContact O-CB 3.42Å; C599-A602 PolarHBondContact O-N 3.49Å; C599-A602 VanDerWaalsContact O-N 3.09Å; C599-T627 WeakPolarHBondContact CA-O 3.27Å; C599-T627 PolarHBondContact N-OG1 2.96Å; C599-T627 PolarHBondContact SG-OG1 2.81Å
600	D	82.1	Confident	77.5	Confident	81 Å²	81	66.6 Å²	66.6	43%	0.433	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-28.2	-177.7	-59.8	-30.3	0	0	0	113.8	A602 R626 H663	D600-A602 VanDerWaalsContact C-N 3.27Å; D600-R626 IonicContact OD1-CZ 3.04Å; D600-R626 IonicContact OD1-NE 3.87Å; D600-R626 PolarHBondContact OD1-NE 3.32Å; D600-R626 IonicContact OD1-NH2 3.1Å; D600-R626 PolarHBondContact OD1-NH2 2.94Å; D600-R626 IonicContact OD2-CZ 3.82Å; D600-R626 IonicContact OD2-NE 3.8Å; D600-R626 IonicContact OD2-NH2 2.91Å; D600-R626 PolarHBondContact OD2-NH2 2.68Å; D600-H663 IonicContact OD2-CD2 3.54Å
601	D	76.5	Confident	76.9	Confident	104 Å²	104	69.8 Å²	69.8	56%	0.556	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.3	7.4	177.2	68.7	-38.3	0	0	0	112.7	R596 C599	R596-D601 IonicContact CZ-OD1 3.33Å; R596-D601 IonicContact CZ-OD2 2.68Å; R596-D601 IonicContact NH1-OD1 3.61Å; R596-D601 IonicContact NH1-OD2 2.65Å; R596-D601 PolarHBondContact NH1-OD2 3.13Å; R596-D601 VanDerWaalsContact NH1-OD2 3.17Å; R596-D601 IonicContact NH2-OD1 2.72Å; R596-D601 IonicContact NH2-OD2 2.78Å; R596-D601 PolarHBondContact NH2-OD2 3.31Å; C599-D601 VanDerWaalsContact C-N 3.26Å; C599-D601 WeakPolarHBondContact CB-OD1 3.13Å; C599-D601 PolarHBondContact O-N 3.33Å
602	A	70.8	Confident	76.4	Confident	14 Å²	14	69.3 Å²	69.3	12%	0.116	38%	0.379	C	S	.	.	S	Bend	trans	-67.4	134.2	177.1	0	0	0	0	0	110.6	C599 D600 V604 L607	C599-A602 WeakPolarHBondContact O-CB 3.42Å; C599-A602 PolarHBondContact O-N 3.49Å; C599-A602 VanDerWaalsContact O-N 3.09Å; D600-A602 VanDerWaalsContact C-N 3.27Å; A602-V604 VanDerWaalsContact C-N 3.31Å; A602-V604 WeakPolarHBondContact O-CG2 3.34Å; A602-V604 PolarHBondContact O-N 3.47Å; A602-L607 HydrophobicContact CB-CD1 4.02Å
603	D	61.1	Low	76.2	Confident	82 Å²	82	69 Å²	69	44%	0.439	38%	0.378	S	S	.	.			trans	-67.3	88	177.8	-170.5	0.2	0	0	0	109.8	S605 K606	D603-S605 PolarHBondContact O-N 2.91Å; D603-S605 WeakPolarHBondContact OD1-CB 3.45Å; D603-S605 PolarHBondContact OD1-OG 2.86Å; D603-K606 PolarHBondContact O-N 3.22Å; D603-K606 VanDerWaalsContact O-N 3.1Å; D603-K606 WeakPolarHBondContact OD2-CD 3.44Å; D603-K606 WeakPolarHBondContact OD2-CE 3.32Å; D603-K606 IonicContact OD2-NZ 3.83Å; D603-K606 PolarHBondContact OD2-NZ 3.47Å
604	V	55.5	Low	76	Confident	120 Å²	120	73.9 Å²	73.9	73%	0.727	40%	0.401	S	S	*	.	G	3₁₀ helix	trans	-56.7	-24.3	-176.5	-170	0	0	0	0	111.4	A602 K606 L607	A602-V604 VanDerWaalsContact C-N 3.31Å; A602-V604 WeakPolarHBondContact O-CG2 3.34Å; A602-V604 PolarHBondContact O-N 3.47Å; V604-K606 PolarHBondContact O-N 3.44Å; V604-L607 PolarHBondContact O-N 3.25Å
605	S	49.2	Very low	75.8	Confident	99 Å²	99	73.6 Å²	73.6	69%	0.692	40%	0.4	S	S	*	.	G	3₁₀ helix	trans	-67	-18.5	179.8	76.4	0	0	0	0	114.4	D603	D603-S605 PolarHBondContact O-N 2.91Å; D603-S605 WeakPolarHBondContact OD1-CB 3.45Å; D603-S605 PolarHBondContact OD1-OG 2.86Å
606	K	51.4	Low	75.7	Confident	164 Å²	164	73.6 Å²	73.6	71%	0.713	40%	0.4	S	S	*	.	G	3₁₀ helix	trans	-109	-2.9	-177.6	-69.3	177.1	-175.4	154.7	0	114.3	D603 V604	D603-K606 PolarHBondContact O-N 3.22Å; D603-K606 VanDerWaalsContact O-N 3.1Å; D603-K606 WeakPolarHBondContact OD2-CD 3.44Å; D603-K606 WeakPolarHBondContact OD2-CE 3.32Å; D603-K606 IonicContact OD2-NZ 3.83Å; D603-K606 PolarHBondContact OD2-NZ 3.47Å; V604-K606 PolarHBondContact O-N 3.44Å
607	L	54.5	Low	75.7	Confident	86 Å²	86	69.6 Å²	69.6	45%	0.45	39%	0.386	S	S	.	.			trans	-103.2	115	-173.7	-72.1	162.3	0	0	0	110	A602 V604	A602-L607 HydrophobicContact CB-CD1 4.02Å; V604-L607 PolarHBondContact O-N 3.25Å
608	K	55.7	Low	75.7	Confident	190 Å²	190	76.2 Å²	76.2	83%	0.826	41%	0.406	S	S	*	.			trans	-61.1	145.7	165.2	-72.9	-176.9	178.2	179.5	0	108.6	D610	K608-D610 PolarHBondContact O-N 2.99Å
609	P	58.2	Low	75.7	Confident	127 Å²	127	78 Å²	78	83%	0.825	42%	0.418	S	S	*	.			trans	-54.1	113.5	171.1	-20	30.2	0	0	0	108.9	S611	P609-S611 PolarHBondContact O-N 3.21Å
610	D	70.1	Confident	75.6	Confident	48 Å²	48	77.7 Å²	77.7	26%	0.257	42%	0.416	S	S	.	.			trans	-74.1	103.4	-176.8	-169.7	-16.7	0	0	0	109	K608 S612 L613 Q614	K608-D610 PolarHBondContact O-N 2.99Å; D610-S612 PolarHBondContact O-N 3.41Å; D610-S612 WeakPolarHBondContact OD1-CA 3.32Å; D610-S612 WeakPolarHBondContact OD1-CB 3.49Å; D610-S612 PolarHBondContact OD1-N 3.18Å; D610-S612 PolarHBondContact OD1-OG 2.78Å; D610-L613 HydrophobicContact CB-CB 3.99Å; D610-L613 PolarHBondContact O-N 2.96Å; D610-L613 VanDerWaalsContact O-N 3.12Å; D610-Q614 PolarHBondContact O-N 3.06Å
611	S	84.1	Confident	76	Confident	86 Å²	86	74.7 Å²	74.7	60%	0.601	40%	0.401	S	S	*	.	H	α-helix	trans	-57.5	-27.7	177	53.9	0	0	0	0	112.1	P609 S615	P609-S611 PolarHBondContact O-N 3.21Å; S611-S615 WeakPolarHBondContact O-CB 3.34Å; S611-S615 PolarHBondContact O-N 3.45Å; S611-S615 VanDerWaalsContact O-N 3.09Å; S611-S615 PolarHBondContact O-OG 3.16Å
612	S	87.3	Confident	76.8	Confident	24 Å²	24	70 Å²	70	17%	0.168	38%	0.376	C	S	.	.	H	α-helix	trans	-71.5	-42.1	177.6	-56.4	0	0	0	0	110.9	Y565 S591 D610 S615 M616	Y565-S612 WeakPolarHBondContact CE1-O 3.47Å; S591-S612 PolarHBondContact OG-OG 3.08Å; S591-S612 VanDerWaalsContact OG-OG 3.13Å; D610-S612 PolarHBondContact O-N 3.41Å; D610-S612 WeakPolarHBondContact OD1-CA 3.32Å; D610-S612 WeakPolarHBondContact OD1-CB 3.49Å; D610-S612 PolarHBondContact OD1-N 3.18Å; D610-S612 PolarHBondContact OD1-OG 2.78Å; S612-S615 PolarHBondContact O-N 3.47Å; S612-M616 WeakPolarHBondContact O-CB 3.15Å; S612-M616 PolarHBondContact O-N 2.91Å
613	L	90.6	Very high	77.9	Confident	30 Å²	30	75.6 Å²	75.6	16%	0.157	40%	0.4	C	S	.	.	H	α-helix	trans	-60.8	-48.8	175.7	178.4	64.5	0	0	0	111.5	I593 L598 D610 S615 M616 L617	I593-L613 HydrophobicContact CD1-CB 4.43Å; L598-L613 HydrophobicContact CD1-CD1 4.45Å; L598-L613 HydrophobicContact CD2-CD1 3.8Å; L598-L613 HydrophobicContact CD2-CD2 3.47Å; L598-L613 VanDerWaalsContact CD2-CD2 3.47Å; L598-L613 HydrophobicContact CD2-CG 4.23Å; D610-L613 HydrophobicContact CB-CB 3.99Å; D610-L613 PolarHBondContact O-N 2.96Å; D610-L613 VanDerWaalsContact O-N 3.12Å; L613-S615 PolarHBondContact O-N 3.37Å; L613-M616 HydrophobicContact CD1-CE 3.81Å; L613-M616 WeakPolarHBondContact O-CB 3.31Å; L613-M616 PolarHBondContact O-N 3.38Å; L613-L617 HydrophobicContact CD1-CD1 4.42Å; L613-L617 HydrophobicContact CD1-CG 4.27Å; L613-L617 HydrophobicContact CG-CD1 4.23Å; L613-L617 HydrophobicContact CG-CG 4.46Å; L613-L617 WeakPolarHBondContact O-CG 3.17Å; L613-L617 PolarHBondContact O-N 2.98Å
614	Q	90.7	Very high	79.5	Confident	103 Å²	103	75.7 Å²	75.7	48%	0.481	40%	0.398	S	S	.	.	H	α-helix	trans	-63.3	-31.1	178.2	-68.1	-61.2	-27.1	0	0	112.5	D610 R618	D610-Q614 PolarHBondContact O-N 3.06Å; Q614-R618 WeakPolarHBondContact O-CB 3.49Å; Q614-R618 VanDerWaalsContact O-CG 3.29Å; Q614-R618 WeakPolarHBondContact O-CG 3.48Å; Q614-R618 PolarHBondContact O-N 3.1Å; Q614-R618 PolarHBondContact O-NE 3.02Å
615	S	91.9	Very high	81.4	Confident	33 Å²	33	70.5 Å²	70.5	23%	0.231	37%	0.365	C	S	.	.	H	α-helix	trans	-74.6	-41.6	175.2	-56.1	0	0	0	0	111.3	Y565 S611 S612 L613 R618 T619	Y565-S615 WeakPolarHBondContact OH-CB 3.24Å; S611-S615 WeakPolarHBondContact O-CB 3.34Å; S611-S615 PolarHBondContact O-N 3.45Å; S611-S615 VanDerWaalsContact O-N 3.09Å; S611-S615 PolarHBondContact O-OG 3.16Å; S612-S615 PolarHBondContact O-N 3.47Å; L613-S615 PolarHBondContact O-N 3.37Å; S615-R618 PolarHBondContact O-N 2.94Å; S615-R618 PolarHBondContact OG-NH2 3.09Å; S615-T619 WeakPolarHBondContact O-CB 3.19Å; S615-T619 PolarHBondContact O-N 2.78Å; S615-T619 PolarHBondContact O-OG1 2.65Å
616	M	93.1	Very high	83.6	Confident	0 Å²	0	68.6 Å²	68.6	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-57.5	-50.4	172.8	-174.3	-164.3	80.8	0	0	111.6	A529 Y565 V567 I593 S612 L613 R618 T619 T620 F625	A529-M616 HydrophobicContact CB-CG 4.11Å; A529-M616 HydrophobicContact CB-SD 4.21Å; Y565-M616 HydrophobicContact CD1-CB 4.03Å; Y565-M616 HydrophobicContact CD2-CB 3.76Å; Y565-M616 HydrophobicContact CD2-CG 3.86Å; Y565-M616 HydrophobicContact CE1-CB 4.43Å; Y565-M616 HydrophobicContact CE2-CB 4.18Å; Y565-M616 HydrophobicContact CG-CB 3.68Å; Y565-M616 HydrophobicContact CG-CG 3.86Å; V567-M616 HydrophobicContact CG2-CE 4.48Å; V567-M616 HydrophobicContact CG2-SD 3.66Å; I593-M616 HydrophobicContact CD1-CB 4.26Å; I593-M616 HydrophobicContact CD1-SD 3.96Å; S612-M616 WeakPolarHBondContact O-CB 3.15Å; S612-M616 PolarHBondContact O-N 2.91Å; L613-M616 HydrophobicContact CD1-CE 3.81Å; L613-M616 WeakPolarHBondContact O-CB 3.31Å; L613-M616 PolarHBondContact O-N 3.38Å; M616-R618 VanDerWaalsContact C-N 3.32Å; M616-R618 PolarHBondContact O-N 3.39Å; M616-T619 PolarHBondContact O-N 2.87Å; M616-T620 WeakPolarHBondContact O-CB 3.34Å; M616-T620 PolarHBondContact O-N 2.84Å; M616-T620 PolarHBondContact O-OG1 3.38Å; M616-F625 HydrophobicContact CE-CB 3.9Å; M616-F625 HydrophobicContact CE-CD2 3.98Å; M616-F625 HydrophobicContact CE-CG 3.95Å
617	L	93.2	Very high	85.8	Confident	17 Å²	17	60.8 Å²	60.8	9%	0.089	31%	0.309	C	S	.	.	H	α-helix	trans	-59.6	-42.2	179.7	-68.9	177.8	0	0	0	111.7	L613 S621 L622 F625	L613-L617 HydrophobicContact CD1-CD1 4.42Å; L613-L617 HydrophobicContact CD1-CG 4.27Å; L613-L617 HydrophobicContact CG-CD1 4.23Å; L613-L617 HydrophobicContact CG-CG 4.46Å; L613-L617 WeakPolarHBondContact O-CG 3.17Å; L613-L617 PolarHBondContact O-N 2.98Å; L617-S621 WeakPolarHBondContact O-CA 3.44Å; L617-S621 PolarHBondContact O-N 3.3Å; L617-L622 HydrophobicContact CD2-CB 3.61Å; L617-L622 PolarHBondContact O-N 3.49Å; L617-F625 HydrophobicContact CD2-CB 3.95Å
618	R	91.4	Very high	87.8	Confident	171 Å²	171	57.1 Å²	57.1	65%	0.645	29%	0.29	S	S	*	.	H	α-helix	trans	-65.6	-45.8	175.7	-75.7	-178.9	-71.1	179	2.3	112.5	Q614 S615 M616 S621	Q614-R618 WeakPolarHBondContact O-CB 3.49Å; Q614-R618 VanDerWaalsContact O-CG 3.29Å; Q614-R618 WeakPolarHBondContact O-CG 3.48Å; Q614-R618 PolarHBondContact O-N 3.1Å; Q614-R618 PolarHBondContact O-NE 3.02Å; S615-R618 PolarHBondContact O-N 2.94Å; S615-R618 PolarHBondContact OG-NH2 3.09Å; M616-R618 VanDerWaalsContact C-N 3.32Å; M616-R618 PolarHBondContact O-N 3.39Å; R618-S621 PolarHBondContact O-N 3.03Å
619	T	90.3	Very high	89.8	Confident	52 Å²	52	51.6 Å²	51.6	32%	0.319	27%	0.269	S	S	.	.	H	α-helix	trans	-62.8	-42.2	179	-62.5	0	0	0	0	111.7	Q498 S615 M616 S621	Q498-T619 HydrophobicContact CG-CG2 4.34Å; Q498-T619 WeakPolarHBondContact CG-O 3.4Å; S615-T619 WeakPolarHBondContact O-CB 3.19Å; S615-T619 PolarHBondContact O-N 2.78Å; S615-T619 PolarHBondContact O-OG1 2.65Å; M616-T619 PolarHBondContact O-N 2.87Å; T619-S621 VanDerWaalsContact C-N 3.35Å
620	T	89.9	Confident	91.6	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.8	3.8	-176.1	55.6	0	0	0	0	114	A529 M616 L622	A529-T620 HydrophobicContact CB-CG2 4.32Å; M616-T620 WeakPolarHBondContact O-CB 3.34Å; M616-T620 PolarHBondContact O-N 2.84Å; M616-T620 PolarHBondContact O-OG1 3.38Å; T620-L622 PolarHBondContact O-N 2.87Å; T620-L622 VanDerWaalsContact O-N 3.17Å; T620-L622 WeakPolarHBondContact OG1-CD1 3.48Å; T620-L622 VanDerWaalsContact OG1-CG 3.26Å; T620-L622 WeakPolarHBondContact OG1-CG 3.32Å
621	S	91.8	Very high	92.8	Very high	19 Å²	19	51.8 Å²	51.8	13%	0.133	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	51.1	33.6	-173.3	-63.1	0	0	0	0	113.6	C494 L617 R618 T619 H643 Q644	C494-S621 VanDerWaalsContact SG-CB 3.59Å; C494-S621 PolarHBondContact SG-OG 3.34Å; L617-S621 WeakPolarHBondContact O-CA 3.44Å; L617-S621 PolarHBondContact O-N 3.3Å; R618-S621 PolarHBondContact O-N 3.03Å; T619-S621 VanDerWaalsContact C-N 3.35Å; S621-H643 PolarHBondContact O-CD2 3.26Å; S621-Q644 WeakPolarHBondContact O-CB 3.34Å; S621-Q644 WeakPolarHBondContact O-CG 3.4Å; S621-Q644 PolarHBondContact O-N 3.08Å
622	L	92.9	Very high	93.4	Very high	4 Å²	4	48.1 Å²	48.1	2%	0.021	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	136.8	176	-64.9	-179.4	0	0	0	110.1	I492 L500 L617 T620 F625 F641 V642 H643	I492-L622 HydrophobicContact CD1-CD2 4.4Å; L500-L622 HydrophobicContact CD1-CD1 4.34Å; L617-L622 HydrophobicContact CD2-CB 3.61Å; L617-L622 PolarHBondContact O-N 3.49Å; T620-L622 PolarHBondContact O-N 2.87Å; T620-L622 VanDerWaalsContact O-N 3.17Å; T620-L622 WeakPolarHBondContact OG1-CD1 3.48Å; T620-L622 VanDerWaalsContact OG1-CG 3.26Å; T620-L622 WeakPolarHBondContact OG1-CG 3.32Å; L622-F625 HydrophobicContact CD1-CD2 4Å; L622-F641 HydrophobicContact CD1-CB 4.16Å; L622-F641 HydrophobicContact CD1-CD2 4.12Å; L622-F641 HydrophobicContact CD1-CG 4.27Å; L622-F641 HydrophobicContact CD2-CB 4.49Å; L622-F641 HydrophobicContact CD2-CD2 3.59Å; L622-F641 HydrophobicContact CD2-CE2 4.25Å; L622-F641 HydrophobicContact CD2-CG 4.41Å; L622-V642 CarbonylContact C-O 3.51Å; L622-H643 HydrophobicContact CD2-CB 4.3Å
623	Q	93.6	Very high	93.6	Very high	133 Å²	133	48.6 Å²	48.6	62%	0.621	23%	0.228	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-76.9	-39.2	169.8	-178.5	-177.8	7.4	0	0	110.5	V642	Q623-V642 PolarHBondContact N-O 2.83Å
624	Q	93.8	Very high	93.6	Very high	84 Å²	84	58 Å²	58	39%	0.393	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	145	-174.1	-168	179	27	0	0	110.8	R626 F641 V642	Q624-R626 HydrophobicContact CG-CG 3.94Å; Q624-R626 VanDerWaalsContact NE2-CD 3.33Å; Q624-F641 CarbonylContact O-C 3.57Å; Q624-F641 VanDerWaalsContact O-CA 3.23Å; Q624-F641 WeakPolarHBondContact O-CA 3.42Å; Q624-F641 VanDerWaalsContact O-CB 3.28Å; Q624-F641 WeakPolarHBondContact O-CB 3.5Å; Q624-V642 HydrophobicContact CB-CB 4.49Å; Q624-V642 PolarHBondContact N-O 3.07Å; Q624-V642 PolarHBondContact O-N 3.22Å
625	F	96	Very high	93.7	Very high	10 Å²	10	55.3 Å²	55.3	4%	0.044	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	118.1	168.3	-166.2	-71	0	0	0	108.2	L500 F531 V567 L598 M616 L617 L622 T627 C639 F641	L500-F625 HydrophobicContact CD1-CD2 4.4Å; L500-F625 HydrophobicContact CD1-CE2 3.86Å; F531-F625 HydrophobicContact CB-CZ 4.26Å; F531-F625 HydrophobicContact CD2-CE1 4.17Å; F531-F625 AromaticContact CD2-CZ 3.95Å; F531-F625 HydrophobicContact CD2-CZ 3.95Å; F531-F625 HydrophobicContact CG-CZ 4.21Å; V567-F625 HydrophobicContact CG1-CE1 3.99Å; L598-F625 HydrophobicContact CD1-CD1 3.75Å; L598-F625 HydrophobicContact CD1-CE1 4.22Å; M616-F625 HydrophobicContact CE-CB 3.9Å; M616-F625 HydrophobicContact CE-CD2 3.98Å; M616-F625 HydrophobicContact CE-CG 3.95Å; L617-F625 HydrophobicContact CD2-CB 3.95Å; L622-F625 HydrophobicContact CD1-CD2 4Å; F625-T627 HydrophobicContact CD1-CG2 4.43Å; F625-T627 HydrophobicContact CE1-CG2 3.98Å; F625-C639 HydrophobicContact CE1-CB 3.73Å; F625-C639 HydrophobicContact CZ-CB 3.72Å; F625-F641 HydrophobicContact CB-CB 4.29Å; F625-F641 HydrophobicContact CD2-CB 3.61Å; F625-F641 AromaticContact CD2-CD1 3.99Å; F625-F641 HydrophobicContact CD2-CD1 3.99Å; F625-F641 HydrophobicContact CD2-CG 4.04Å; F625-F641 HydrophobicContact CE2-CB 4.19Å; F625-F641 AromaticContact CE2-CD1 3.68Å; F625-F641 HydrophobicContact CE2-CD1 3.68Å; F625-F641 HydrophobicContact CE2-CE1 4.39Å; F625-F641 HydrophobicContact CE2-CG 4.19Å; F625-F641 HydrophobicContact CG-CB 4.14Å; F625-F641 HydrophobicContact CZ-CD1 4.48Å
626	R	96.3	Very high	94	Very high	60 Å²	60	53.8 Å²	53.8	23%	0.226	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	155.2	179.8	-65.4	172.6	98.1	171.9	4.1	110.3	D600 Q624 C639 S640	D600-R626 IonicContact OD1-CZ 3.04Å; D600-R626 IonicContact OD1-NE 3.87Å; D600-R626 PolarHBondContact OD1-NE 3.32Å; D600-R626 IonicContact OD1-NH2 3.1Å; D600-R626 PolarHBondContact OD1-NH2 2.94Å; D600-R626 IonicContact OD2-CZ 3.82Å; D600-R626 IonicContact OD2-NE 3.8Å; D600-R626 IonicContact OD2-NH2 2.91Å; D600-R626 PolarHBondContact OD2-NH2 2.68Å; Q624-R626 HydrophobicContact CG-CG 3.94Å; Q624-R626 VanDerWaalsContact NE2-CD 3.33Å; R626-C639 CarbonylContact O-C 3.56Å; R626-C639 VanDerWaalsContact O-CA 3.3Å; R626-C639 WeakPolarHBondContact O-CA 3.29Å; R626-S640 PolarHBondContact N-O 3.4Å; R626-S640 PolarHBondContact O-N 2.87Å
627	T	97.5	Very high	94.2	Very high	0 Å²	0	54 Å²	54	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	160.6	171.4	62	0	0	0	0	110.1	F531 S595 L598 C599 F625 A638 C639	F531-T627 HydrophobicContact CE2-CG2 4.05Å; S595-T627 PolarHBondContact O-OG1 2.73Å; L598-T627 HydrophobicContact CB-CG2 3.97Å; L598-T627 WeakPolarHBondContact CB-OG1 3.25Å; L598-T627 HydrophobicContact CD1-CG2 4.18Å; L598-T627 PolarHBondContact O-N 2.84Å; L598-T627 PolarHBondContact O-OG1 2.57Å; C599-T627 WeakPolarHBondContact CA-O 3.27Å; C599-T627 PolarHBondContact N-OG1 2.96Å; C599-T627 PolarHBondContact SG-OG1 2.81Å; F625-T627 HydrophobicContact CD1-CG2 4.43Å; F625-T627 HydrophobicContact CE1-CG2 3.98Å; T627-A638 WeakPolarHBondContact CA-O 3.25Å; T627-A638 WeakPolarHBondContact CB-O 3.27Å; T627-C639 HydrophobicContact CG2-CB 4.24Å
628	C	96.8	Very high	94.5	Very high	9 Å²	9	53.2 Å²	53.2	6%	0.061	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	153.3	167	67.9	0	0	0	0	110	F637 A638 A660 F661 I664	C628-F637 VanDerWaalsContact O-CA 3.26Å; C628-F637 WeakPolarHBondContact O-CA 3.34Å; C628-A638 PolarHBondContact N-O 3.14Å; C628-A638 PolarHBondContact O-N 3.12Å; C628-A660 HydrophobicContact CB-CB 4.24Å; C628-F661 VanDerWaalsContact SG-CA 3.57Å; C628-I664 HydrophobicContact CB-CD1 3.86Å; C628-I664 HydrophobicContact CB-CG1 4.4Å; C628-I664 HydrophobicContact CB-CG2 4.31Å; C628-I664 VanDerWaalsContact SG-CD1 3.56Å
629	L	97.1	Very high	94.8	Very high	73 Å²	73	45 Å²	45	38%	0.382	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	140.9	169.9	-77.5	178	0	0	0	110.4	F637	L629-F637 HydrophobicContact CD2-CD1 3.99Å; L629-F637 HydrophobicContact CD2-CE1 3.51Å; L629-F637 HydrophobicContact CD2-CE2 4.3Å; L629-F637 HydrophobicContact CD2-CZ 3.69Å; L629-F637 HydrophobicContact CG-CE1 4.13Å
630	V	96.4	Very high	95.1	Very high	13 Å²	13	42.8 Å²	42.8	8%	0.079	19%	0.192	C	C	.	.			trans	-122.7	163.4	179	-69.2	0	0	0	0	112.7	H632 A636 A638 D654 T655	V630-H632 PolarHBondContact O-N 2.92Å; V630-A636 VanDerWaalsContact CG2-C 3.47Å; V630-A636 HydrophobicContact CG2-CB 3.67Å; V630-A636 WeakPolarHBondContact CG2-O 3.47Å; V630-A636 PolarHBondContact N-O 2.82Å; V630-A638 HydrophobicContact CG1-CB 3.52Å; V630-D654 WeakPolarHBondContact CG2-O 3.43Å; V630-T655 WeakPolarHBondContact CB-OG1 3.35Å
631	R	95.3	Very high	95.5	Very high	166 Å²	166	42.8 Å²	42.8	63%	0.626	19%	0.192	S	C	*	.	B	Isolated β-bridge	trans	-91.4	80.1	-173.2	-70.7	-178.4	67.1	-170.7	0.9	110.4	T655 M656	R631-T655 PolarHBondContact N-OG1 2.9Å; R631-M656 HydrophobicContact CB-CB 3.94Å; R631-M656 HydrophobicContact CB-CG 4.46Å; R631-M656 PolarHBondContact O-N 3Å
632	H	95.1	Very high	95.7	Very high	9 Å²	9	42.8 Å²	42.8	4%	0.042	19%	0.191	C	C	.	.	S	Bend	trans	-142	-102.6	177.4	-176	65.5	0	0	0	111.3	H534 H536 V630 A636 D654 R689 H690	H534-H632 AromaticContact CD2-CD2 3.79Å; H534-H632 AromaticContact NE2-CD2 3.63Å; H534-H632 AromaticContact NE2-NE2 3.5Å; H534-H632 PolarHBondContact NE2-NE2 3.27Å; H536-H632 AromaticContact CE1-CD2 3.8Å; H536-H632 AromaticContact CE1-CE1 3.79Å; H536-H632 AromaticContact CE1-NE2 2.94Å; H536-H632 PolarHBondContact CE1-NE2 3.41Å; H536-H632 AromaticContact ND1-CD2 3.91Å; H536-H632 AromaticContact ND1-CE1 3.97Å; H536-H632 AromaticContact ND1-NE2 2.99Å; H536-H632 PolarHBondContact ND1-NE2 3.36Å; V630-H632 PolarHBondContact O-N 2.92Å; H632-A636 HydrophobicContact CB-CB 4.04Å; H632-D654 HydrophobicContact CB-CB 4.4Å; H632-D654 WeakPolarHBondContact CB-O 3.41Å; H632-D654 IonicContact CE1-OD2 2.78Å; H632-D654 IonicContact NE2-OD2 2.63Å; H632-R689 PolarHBondContact ND1-O 3Å; H632-R689 WeakPolarHBondContact O-CD 3.28Å; H632-R689 PolarHBondContact O-NH1 2.98Å; H632-H690 AromaticContact CE1-CE1 3.49Å; H632-H690 PolarHBondContact CE1-CE1 3.2Å; H632-H690 VanDerWaalsContact CE1-CE1 3.49Å; H632-H690 AromaticContact CE1-NE2 3.64Å
633	C	92.6	Very high	95.7	Very high	34 Å²	34	43.3 Å²	43.3	23%	0.23	19%	0.193	C	C	.	.	S	Bend	trans	-98	173.2	169.2	71.8	0	0	0	0	111	H534 N635 A636	H534-C633 VanDerWaalsContact CD2-SG 3.55Å; C633-N635 PolarHBondContact O-N 2.71Å; C633-A636 WeakPolarHBondContact O-CB 3.45Å; C633-A636 PolarHBondContact O-N 3.49Å
634	R	90.5	Very high	95.6	Very high	227 Å²	227	43 Å²	43	86%	0.857	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.3	131.7	178.9	-170.9	-177	177.9	173.4	0.8	109.4	A636	R634-A636 VanDerWaalsContact C-N 3.34Å
635	N	93.1	Very high	95.5	Very high	47 Å²	47	42.9 Å²	42.9	25%	0.251	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.4	38	-175.5	-43.7	-60	0	0	0	113.2	P569 Q571 C633 F637	P569-N635 HydrophobicContact CB-CB 4.33Å; P569-N635 WeakPolarHBondContact CG-O 3.42Å; Q571-N635 VanDerWaalsContact CD-ND2 3.31Å; Q571-N635 PolarHBondContact NE2-ND2 3.23Å; C633-N635 PolarHBondContact O-N 2.71Å; N635-F637 HydrophobicContact CB-CE2 3.93Å; N635-F637 HydrophobicContact CB-CZ 4.46Å; N635-F637 WeakPolarHBondContact O-CD2 3.27Å; N635-F637 WeakPolarHBondContact O-CE2 3.29Å
636	A	97.1	Very high	95.3	Very high	1 Å²	1	45 Å²	45	1%	0.008	23%	0.225	C	C	.	.			trans	-85.5	139.9	164.2	0	0	0	0	0	110.4	H534 V630 H632 C633 R634	H534-A636 HydrophobicContact CB-CB 3.9Å; V630-A636 VanDerWaalsContact CG2-C 3.47Å; V630-A636 HydrophobicContact CG2-CB 3.67Å; V630-A636 WeakPolarHBondContact CG2-O 3.47Å; V630-A636 PolarHBondContact N-O 2.82Å; H632-A636 HydrophobicContact CB-CB 4.04Å; C633-A636 WeakPolarHBondContact O-CB 3.45Å; C633-A636 PolarHBondContact O-N 3.49Å; R634-A636 VanDerWaalsContact C-N 3.34Å
637	F	98.3	Very high	95.2	Very high	5 Å²	5	43.2 Å²	43.2	2%	0.022	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	143.3	-177.1	-59.9	-95.7	0	0	0	112.3	F531 S533 P569 R596 C628 L629 N635	F531-F637 HydrophobicContact CZ-CB 4.21Å; S533-F637 WeakPolarHBondContact CB-O 3.43Å; S533-F637 PolarHBondContact O-N 3.42Å; P569-F637 HydrophobicContact CB-CE2 4.03Å; P569-F637 HydrophobicContact CG-CD2 3.86Å; P569-F637 HydrophobicContact CG-CE2 3.87Å; R596-F637 HydrophobicContact CB-CE1 4.24Å; R596-F637 HydrophobicContact CB-CZ 4.11Å; C628-F637 VanDerWaalsContact O-CA 3.26Å; C628-F637 WeakPolarHBondContact O-CA 3.34Å; L629-F637 HydrophobicContact CD2-CD1 3.99Å; L629-F637 HydrophobicContact CD2-CE1 3.51Å; L629-F637 HydrophobicContact CD2-CE2 4.3Å; L629-F637 HydrophobicContact CD2-CZ 3.69Å; L629-F637 HydrophobicContact CG-CE1 4.13Å; N635-F637 HydrophobicContact CB-CE2 3.93Å; N635-F637 HydrophobicContact CB-CZ 4.46Å; N635-F637 WeakPolarHBondContact O-CD2 3.27Å; N635-F637 WeakPolarHBondContact O-CE2 3.29Å
638	A	98.3	Very high	95.1	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	161.4	157.4	0	0	0	0	0	109.8	T627 C628 V630 F651 S652 F661	T627-A638 WeakPolarHBondContact CA-O 3.25Å; T627-A638 WeakPolarHBondContact CB-O 3.27Å; C628-A638 PolarHBondContact N-O 3.14Å; C628-A638 PolarHBondContact O-N 3.12Å; V630-A638 HydrophobicContact CG1-CB 3.52Å; A638-F651 WeakPolarHBondContact CA-O 3.26Å; A638-F651 WeakPolarHBondContact CB-O 3.25Å; A638-S652 WeakPolarHBondContact CB-O 3.38Å; A638-F661 HydrophobicContact CB-CB 4.42Å; A638-F661 HydrophobicContact CB-CD2 3.34Å; A638-F661 HydrophobicContact CB-CE2 3.61Å; A638-F661 HydrophobicContact CB-CG 3.87Å; A638-F661 HydrophobicContact CB-CZ 4.31Å
639	C	98.1	Very high	95.2	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	154.7	173.6	71.8	0	0	0	0	113	F531 F625 R626 T627 A650 F651	F531-C639 HydrophobicContact CD1-CB 4.3Å; F531-C639 VanDerWaalsContact CD1-SG 3.58Å; F531-C639 HydrophobicContact CD2-CB 4.18Å; F531-C639 HydrophobicContact CE1-CB 3.92Å; F531-C639 VanDerWaalsContact CE1-SG 3.6Å; F531-C639 HydrophobicContact CE2-CB 3.8Å; F531-C639 HydrophobicContact CG-CB 4.41Å; F531-C639 HydrophobicContact CZ-CB 3.66Å; F625-C639 HydrophobicContact CE1-CB 3.73Å; F625-C639 HydrophobicContact CZ-CB 3.72Å; R626-C639 CarbonylContact O-C 3.56Å; R626-C639 VanDerWaalsContact O-CA 3.3Å; R626-C639 WeakPolarHBondContact O-CA 3.29Å; T627-C639 HydrophobicContact CG2-CB 4.24Å; C639-A650 WeakPolarHBondContact O-CA 3.34Å; C639-F651 PolarHBondContact N-O 3.04Å; C639-F651 PolarHBondContact O-N 3.15Å
640	S	97.9	Very high	95.2	Very high	4 Å²	4	41.3 Å²	41.3	3%	0.028	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	130.9	173.7	175	0	0	0	0	108.5	R626 L649 I664	R626-S640 PolarHBondContact N-O 3.4Å; R626-S640 PolarHBondContact O-N 2.87Å; S640-L649 WeakPolarHBondContact CA-O 3.36Å; S640-I664 VanDerWaalsContact CB-O 3.27Å; S640-I664 WeakPolarHBondContact CB-O 3.21Å; S640-I664 PolarHBondContact OG-O 3Å
641	F	96.7	Very high	95.3	Very high	1 Å²	1	41 Å²	41	0%	0.004	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	148.1	178.9	58.7	-94.2	0	0	0	112.6	V490 L500 L502 L622 Q624 F625 W647 K648 L649	V490-F641 HydrophobicContact CG1-CZ 4.45Å; L500-F641 HydrophobicContact CD2-CE1 4.38Å; L502-F641 HydrophobicContact CD2-CE1 4.28Å; L622-F641 HydrophobicContact CD1-CB 4.16Å; L622-F641 HydrophobicContact CD1-CD2 4.12Å; L622-F641 HydrophobicContact CD1-CG 4.27Å; L622-F641 HydrophobicContact CD2-CB 4.49Å; L622-F641 HydrophobicContact CD2-CD2 3.59Å; L622-F641 HydrophobicContact CD2-CE2 4.25Å; L622-F641 HydrophobicContact CD2-CG 4.41Å; Q624-F641 CarbonylContact O-C 3.57Å; Q624-F641 VanDerWaalsContact O-CA 3.23Å; Q624-F641 WeakPolarHBondContact O-CA 3.42Å; Q624-F641 VanDerWaalsContact O-CB 3.28Å; Q624-F641 WeakPolarHBondContact O-CB 3.5Å; F625-F641 HydrophobicContact CB-CB 4.29Å; F625-F641 HydrophobicContact CD2-CB 3.61Å; F625-F641 AromaticContact CD2-CD1 3.99Å; F625-F641 HydrophobicContact CD2-CD1 3.99Å; F625-F641 HydrophobicContact CD2-CG 4.04Å; F625-F641 HydrophobicContact CE2-CB 4.19Å; F625-F641 AromaticContact CE2-CD1 3.68Å; F625-F641 HydrophobicContact CE2-CD1 3.68Å; F625-F641 HydrophobicContact CE2-CE1 4.39Å; F625-F641 HydrophobicContact CE2-CG 4.19Å; F625-F641 HydrophobicContact CG-CB 4.14Å; F625-F641 HydrophobicContact CZ-CD1 4.48Å; F641-W647 HydrophobicContact CD2-CH2 4.49Å; F641-W647 HydrophobicContact CD2-CZ3 4.14Å; F641-W647 AromaticContact CE2-CH2 3.9Å; F641-W647 HydrophobicContact CE2-CH2 3.9Å; F641-W647 AromaticContact CE2-CZ3 3.66Å; F641-W647 HydrophobicContact CE2-CZ3 3.66Å; F641-K648 WeakPolarHBondContact O-CA 3.49Å; F641-L649 HydrophobicContact CD2-CB 4.46Å; F641-L649 HydrophobicContact CE1-CB 4.22Å; F641-L649 HydrophobicContact CE1-CD2 3.74Å; F641-L649 HydrophobicContact CE1-CG 4.47Å; F641-L649 HydrophobicContact CE2-CB 3.91Å; F641-L649 HydrophobicContact CZ-CB 3.78Å; F641-L649 HydrophobicContact CZ-CD1 4.13Å; F641-L649 HydrophobicContact CZ-CD2 3.8Å; F641-L649 HydrophobicContact CZ-CG 4.11Å; F641-L649 PolarHBondContact N-O 3.03Å; F641-L649 PolarHBondContact O-N 3.48Å
642	V	96.3	Very high	95.5	Very high	18 Å²	18	33.1 Å²	33.1	11%	0.109	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	126.5	-176.9	-175.9	0	0	0	0	108.6	L622 Q623 Q624 K648	L622-V642 CarbonylContact C-O 3.51Å; Q623-V642 PolarHBondContact N-O 2.83Å; Q624-V642 HydrophobicContact CB-CB 4.49Å; Q624-V642 PolarHBondContact N-O 3.07Å; Q624-V642 PolarHBondContact O-N 3.22Å; V642-K648 HydrophobicContact CG2-CB 4.27Å; V642-K648 HydrophobicContact CG2-CD 4.3Å; V642-K648 VanDerWaalsContact CG2-CE 3.46Å; V642-K648 HydrophobicContact CG2-CG 4.04Å
643	H	93.8	Very high	95.6	Very high	16 Å²	16	32.8 Å²	32.8	7%	0.074	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	154	176	-175	-103.9	0	0	0	111.4	I492 S621 L622 S645 G646 W647	I492-H643 WeakPolarHBondContact CG2-NE2 3.34Å; S621-H643 PolarHBondContact O-CD2 3.26Å; L622-H643 HydrophobicContact CD2-CB 4.3Å; H643-S645 WeakPolarHBondContact ND1-CB 3.42Å; H643-S645 PolarHBondContact ND1-N 3.4Å; H643-S645 PolarHBondContact ND1-OG 3.15Å; H643-S645 PolarHBondContact O-N 3.05Å; H643-S645 VanDerWaalsContact O-N 3.07Å; H643-G646 PolarHBondContact O-N 3.4Å; H643-W647 HydrophobicContact CB-CD2 3.52Å; H643-W647 HydrophobicContact CB-CE3 4Å; H643-W647 HydrophobicContact CB-CG 4.07Å; H643-W647 HydrophobicContact CB-CH2 3.84Å; H643-W647 HydrophobicContact CB-CZ2 3.35Å; H643-W647 HydrophobicContact CB-CZ3 4.14Å; H643-W647 AromaticContact CD2-CZ2 3.69Å; H643-W647 AromaticContact CG-CE2 3.39Å; H643-W647 AromaticContact CG-CZ2 3.42Å; H643-W647 VanDerWaalsContact CG-CZ2 3.42Å; H643-W647 AromaticContact CG-NE1 3.42Å; H643-W647 PolarHBondContact N-O 3.01Å; H643-W647 AromaticContact ND1-CD1 3.99Å; H643-W647 AromaticContact ND1-CE2 3.74Å; H643-W647 AromaticContact ND1-NE1 3.24Å; H643-W647 PolarHBondContact ND1-NE1 3.05Å
644	Q	91.8	Very high	95.8	Very high	125 Å²	125	31.2 Å²	31.2	58%	0.584	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-23	178.3	-77.1	170.9	10.6	0	0	114.1	S621 G646	S621-Q644 WeakPolarHBondContact O-CB 3.34Å; S621-Q644 WeakPolarHBondContact O-CG 3.4Å; S621-Q644 PolarHBondContact O-N 3.08Å; Q644-G646 VanDerWaalsContact C-N 3.28Å
645	S	90	Very high	96.1	Very high	82 Å²	82	20.4 Å²	20.4	57%	0.573	12%	0.122	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.2	5.9	174.3	76.7	0	0	0	0	114.1	H643 W647	H643-S645 WeakPolarHBondContact ND1-CB 3.42Å; H643-S645 PolarHBondContact ND1-N 3.4Å; H643-S645 PolarHBondContact ND1-OG 3.15Å; H643-S645 PolarHBondContact O-N 3.05Å; H643-S645 VanDerWaalsContact O-N 3.07Å; S645-W647 PolarHBondContact OG-NE1 3.29Å
646	G	91.8	Very high	96.3	Very high	55 Å²	55	19 Å²	19	57%	0.567	11%	0.114	S	C	*	.	S	Bend	trans	95.3	-12.3	170.5	0	0	0	0	0	117	H643 Q644	H643-G646 PolarHBondContact O-N 3.4Å; Q644-G646 VanDerWaalsContact C-N 3.28Å
647	W	94.3	Very high	96.2	Very high	22 Å²	22	20.8 Å²	20.8	8%	0.083	13%	0.125	C	C	.	.			trans	-75.9	152.2	176.3	60.5	-105.3	0	0	0	111.8	P467 I492 F641 H643 S645 L649 T669 F742	P467-W647 HydrophobicContact CB-CH2 4.43Å; P467-W647 HydrophobicContact CB-CZ2 3.89Å; P467-W647 HydrophobicContact CG-CD2 4.19Å; P467-W647 HydrophobicContact CG-CZ2 3.88Å; I492-W647 HydrophobicContact CD1-CH2 4.33Å; I492-W647 HydrophobicContact CG1-CH2 4.18Å; I492-W647 HydrophobicContact CG1-CZ2 4.33Å; I492-W647 HydrophobicContact CG2-CZ2 4.19Å; F641-W647 HydrophobicContact CD2-CH2 4.49Å; F641-W647 HydrophobicContact CD2-CZ3 4.14Å; F641-W647 AromaticContact CE2-CH2 3.9Å; F641-W647 HydrophobicContact CE2-CH2 3.9Å; F641-W647 AromaticContact CE2-CZ3 3.66Å; F641-W647 HydrophobicContact CE2-CZ3 3.66Å; H643-W647 HydrophobicContact CB-CD2 3.52Å; H643-W647 HydrophobicContact CB-CE3 4Å; H643-W647 HydrophobicContact CB-CG 4.07Å; H643-W647 HydrophobicContact CB-CH2 3.84Å; H643-W647 HydrophobicContact CB-CZ2 3.35Å; H643-W647 HydrophobicContact CB-CZ3 4.14Å; H643-W647 AromaticContact CD2-CZ2 3.69Å; H643-W647 AromaticContact CG-CE2 3.39Å; H643-W647 AromaticContact CG-CZ2 3.42Å; H643-W647 VanDerWaalsContact CG-CZ2 3.42Å; H643-W647 AromaticContact CG-NE1 3.42Å; H643-W647 PolarHBondContact N-O 3.01Å; H643-W647 AromaticContact ND1-CD1 3.99Å; H643-W647 AromaticContact ND1-CE2 3.74Å; H643-W647 AromaticContact ND1-NE1 3.24Å; H643-W647 PolarHBondContact ND1-NE1 3.05Å; S645-W647 PolarHBondContact OG-NE1 3.29Å; W647-L649 HydrophobicContact CZ3-CB 4.11Å; W647-T669 HydrophobicContact CB-CG2 4.38Å; W647-F742 HydrophobicContact CB-CD2 4.48Å; W647-F742 HydrophobicContact CB-CE2 3.73Å; W647-F742 AromaticContact CD2-CE2 3.75Å; W647-F742 HydrophobicContact CD2-CE2 3.75Å; W647-F742 HydrophobicContact CD2-CZ 4.1Å; W647-F742 HydrophobicContact CE3-CE2 4.06Å; W647-F742 AromaticContact CE3-CZ 3.95Å; W647-F742 HydrophobicContact CE3-CZ 3.95Å; W647-F742 AromaticContact CG-CE2 3.61Å; W647-F742 HydrophobicContact CG-CE2 3.61Å; W647-F742 HydrophobicContact CG-CZ 4.4Å; W647-F742 HydrophobicContact CZ3-CZ 4.5Å
648	K	96.7	Very high	96.1	Very high	42 Å²	42	21.2 Å²	21.2	18%	0.183	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	137	-178.1	-179.6	-177.1	-65.9	174.2	0	111.4	F641 V642 N666 A668 T669 L670	F641-K648 WeakPolarHBondContact O-CA 3.49Å; V642-K648 HydrophobicContact CG2-CB 4.27Å; V642-K648 HydrophobicContact CG2-CD 4.3Å; V642-K648 VanDerWaalsContact CG2-CE 3.46Å; V642-K648 HydrophobicContact CG2-CG 4.04Å; K648-N666 PolarHBondContact NZ-O 3.11Å; K648-A668 HydrophobicContact CD-CB 4.45Å; K648-A668 HydrophobicContact CG-CB 4.44Å; K648-T669 PolarHBondContact N-OG1 3.01Å; K648-T669 VanDerWaalsContact N-OG1 3.09Å; K648-T669 WeakPolarHBondContact O-CA 3.37Å; K648-T669 VanDerWaalsContact O-CB 3.28Å; K648-T669 WeakPolarHBondContact O-CB 3.09Å; K648-T669 PolarHBondContact O-N 3.33Å; K648-L670 PolarHBondContact O-N 3.44Å; K648-L670 VanDerWaalsContact O-N 3.13Å
649	L	97.9	Very high	95.9	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	132.7	172.8	-170	154.4	0	0	0	110.1	V469 V490 L502 S640 F641 W647 F651 L670 I672	V469-L649 HydrophobicContact CG2-CD1 4.3Å; V490-L649 HydrophobicContact CG1-CD1 4.3Å; V490-L649 HydrophobicContact CG2-CD1 4.04Å; L502-L649 HydrophobicContact CD1-CD2 3.97Å; S640-L649 WeakPolarHBondContact CA-O 3.36Å; F641-L649 HydrophobicContact CD2-CB 4.46Å; F641-L649 HydrophobicContact CE1-CB 4.22Å; F641-L649 HydrophobicContact CE1-CD2 3.74Å; F641-L649 HydrophobicContact CE1-CG 4.47Å; F641-L649 HydrophobicContact CE2-CB 3.91Å; F641-L649 HydrophobicContact CZ-CB 3.78Å; F641-L649 HydrophobicContact CZ-CD1 4.13Å; F641-L649 HydrophobicContact CZ-CD2 3.8Å; F641-L649 HydrophobicContact CZ-CG 4.11Å; F641-L649 PolarHBondContact N-O 3.03Å; F641-L649 PolarHBondContact O-N 3.48Å; W647-L649 HydrophobicContact CZ3-CB 4.11Å; L649-F651 HydrophobicContact CD2-CB 4.25Å; L649-L670 WeakPolarHBondContact CA-O 3.39Å; L649-L670 HydrophobicContact CD1-CD2 4.03Å; L649-L670 HydrophobicContact CG-CB 4.42Å; L649-I672 HydrophobicContact CD1-CD1 4.35Å; L649-I672 HydrophobicContact CD2-CD1 4.39Å
650	A	98.4	Very high	95.8	Very high	0 Å²	0	29 Å²	29	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	133.9	173.6	0	0	0	0	0	110.2	C639 F661 A668 L670 L671 I672 M703	C639-A650 WeakPolarHBondContact O-CA 3.34Å; A650-F661 HydrophobicContact CB-CE2 3.9Å; A650-F661 HydrophobicContact CB-CZ 3.87Å; A650-A668 HydrophobicContact CB-CB 4.02Å; A650-L670 PolarHBondContact N-O 3.16Å; A650-L671 HydrophobicContact CB-CD1 3.98Å; A650-I672 PolarHBondContact O-N 2.95Å; A650-M703 HydrophobicContact CB-CE 4.29Å; A650-M703 HydrophobicContact CB-SD 3.84Å
651	F	98.6	Very high	95.8	Very high	6 Å²	6	28.8 Å²	28.8	3%	0.026	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	123.4	179.1	174.7	-112.2	0	0	0	110.5	L502 D503 F531 A638 C639 L649 F661 I672	L502-F651 HydrophobicContact CB-CD1 4.07Å; L502-F651 HydrophobicContact CB-CE1 4.07Å; L502-F651 HydrophobicContact CB-CG 4.31Å; L502-F651 HydrophobicContact CB-CZ 4.32Å; L502-F651 HydrophobicContact CD1-CB 3.91Å; L502-F651 HydrophobicContact CD1-CD1 4.39Å; L502-F651 HydrophobicContact CD1-CD2 4.18Å; L502-F651 HydrophobicContact CD1-CG 3.9Å; L502-F651 HydrophobicContact CD2-CB 4.41Å; L502-F651 HydrophobicContact CD2-CD1 4.18Å; L502-F651 HydrophobicContact CD2-CG 4.41Å; L502-F651 HydrophobicContact CG-CD1 4.46Å; L502-F651 HydrophobicContact CG-CG 4.45Å; D503-F651 WeakPolarHBondContact OD2-CZ 3.43Å; F531-F651 AromaticContact CD1-CD1 3.95Å; F531-F651 HydrophobicContact CD1-CD1 3.95Å; F531-F651 HydrophobicContact CD1-CE1 4.22Å; F531-F651 AromaticContact CE1-CD1 3.84Å; F531-F651 HydrophobicContact CE1-CD1 3.84Å; F531-F651 HydrophobicContact CE1-CE1 4.15Å; A638-F651 WeakPolarHBondContact CA-O 3.26Å; A638-F651 WeakPolarHBondContact CB-O 3.25Å; C639-F651 PolarHBondContact N-O 3.04Å; C639-F651 PolarHBondContact O-N 3.15Å; L649-F651 HydrophobicContact CD2-CB 4.25Å; F651-F661 VanDerWaalsContact C-CZ 3.47Å; F651-I672 WeakPolarHBondContact CA-O 3.48Å; F651-I672 HydrophobicContact CD2-CB 3.96Å; F651-I672 HydrophobicContact CD2-CG2 3.81Å; F651-I672 HydrophobicContact CE2-CG2 4.12Å
652	S	98.3	Very high	95.8	Very high	1 Å²	1	29.7 Å²	29.7	1%	0.007	18%	0.181	C	C	.	.			trans	-74.8	-29.5	-170.1	63	0	0	0	0	114.4	A638 I672 H673 E674	A638-S652 WeakPolarHBondContact CB-O 3.38Å; S652-I672 PolarHBondContact N-O 2.85Å; S652-I672 VanDerWaalsContact N-O 3.08Å; S652-H673 WeakPolarHBondContact OG-CA 3.35Å; S652-E674 PolarHBondContact OG-N 3.06Å
653	G	96.6	Very high	95.8	Very high	2 Å²	2	34.6 Å²	34.6	2%	0.021	20%	0.202	C	C	.	.			trans	55.9	-148.7	-153.4	0	0	0	0	0	110.4	E674	G653-E674 WeakPolarHBondContact O-CB 3.32Å; G653-E674 WeakPolarHBondContact O-CG 3.43Å
654	D	97.5	Very high	96	Very high	2 Å²	2	34.1 Å²	34.1	1%	0.011	20%	0.2	C	C	.	.	S	Bend	trans	-92.3	129.7	172.3	-71	0.9	0	0	0	111.2	H534 H539 V630 H632 E674 H690 H712	H534-D654 IonicContact CE1-OD2 3.33Å; H534-D654 PolarHBondContact CE1-OD2 2.83Å; H534-D654 IonicContact NE2-OD2 2.9Å; H539-D654 IonicContact CE1-OD1 3.6Å; H539-D654 PolarHBondContact CE1-OD1 3.04Å; H539-D654 VanDerWaalsContact CE1-OD1 3.28Å; H539-D654 IonicContact CE1-OD2 3.51Å; H539-D654 IonicContact NE2-OD1 3.69Å; H539-D654 IonicContact NE2-OD2 3.6Å; H539-D654 PolarHBondContact NE2-OD2 3.33Å; V630-D654 WeakPolarHBondContact CG2-O 3.43Å; H632-D654 HydrophobicContact CB-CB 4.4Å; H632-D654 WeakPolarHBondContact CB-O 3.41Å; H632-D654 IonicContact CE1-OD2 2.78Å; H632-D654 IonicContact NE2-OD2 2.63Å; D654-E674 WeakPolarHBondContact CA-OE1 3.45Å; D654-H690 IonicContact OD2-CE1 3.58Å; D654-H690 PolarHBondContact OD2-CE1 2.94Å; D654-H690 IonicContact OD2-ND1 3.96Å; D654-H712 VanDerWaalsContact CG-CE1 3.47Å; D654-H712 IonicContact OD1-CE1 2.8Å; D654-H712 PolarHBondContact OD1-CE1 2.98Å; D654-H712 IonicContact OD1-CG 2.67Å; D654-H712 IonicContact OD1-ND1 3.1Å; D654-H712 PolarHBondContact OD1-ND1 2.91Å; D654-H712 IonicContact OD1-NE2 3.88Å; D654-H712 IonicContact OD2-CE1 3.48Å; D654-H712 PolarHBondContact OD2-CE1 3.49Å; D654-H712 VanDerWaalsContact OD2-CE1 3.27Å; D654-H712 IonicContact OD2-ND1 3.56Å
655	T	97	Very high	96.2	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	17%	0.172	C	C	.	.			trans	-165.1	145.5	-177.7	-169.6	0	0	0	0	113.5	V630 R631 E674 S691	V630-T655 WeakPolarHBondContact CB-OG1 3.35Å; R631-T655 PolarHBondContact N-OG1 2.9Å; T655-E674 PolarHBondContact N-OE1 3.06Å; T655-S691 PolarHBondContact O-N 3.11Å; T655-S691 PolarHBondContact O-OG 3.35Å
656	M	96.5	Very high	96.5	Very high	18 Å²	18	27.5 Å²	27.5	9%	0.089	16%	0.162	C	C	.	.	B	Isolated β-bridge	trans	-64.7	163.1	150.9	-64.3	-64.6	-49.3	0	0	110.8	R631 C658 V686 R689 H690	R631-M656 HydrophobicContact CB-CB 3.94Å; R631-M656 HydrophobicContact CB-CG 4.46Å; R631-M656 PolarHBondContact O-N 3Å; M656-C658 PolarHBondContact O-N 3.14Å; M656-V686 HydrophobicContact CE-CB 4.47Å; M656-V686 HydrophobicContact CE-CG2 3.8Å; M656-R689 HydrophobicContact CG-CB 4.16Å; M656-R689 VanDerWaalsContact SD-CA 3.59Å; M656-H690 PolarHBondContact SD-N 3.28Å; M656-H690 VanDerWaalsContact SD-N 3.43Å
657	P	95.9	Very high	96.8	Very high	38 Å²	38	30.6 Å²	30.6	25%	0.247	16%	0.162	C	C	.	.			trans	-46.9	127.1	171.7	-33.1	40.9	0	0	0	113	Q695 I699	P657-Q695 HydrophobicContact CG-CB 3.73Å; P657-Q695 HydrophobicContact CG-CG 3.86Å; P657-I699 HydrophobicContact CB-CD1 3.91Å; P657-I699 HydrophobicContact CB-CG1 4.03Å
658	C	94.9	Very high	97	Very high	13 Å²	13	29.6 Å²	29.6	9%	0.088	16%	0.158	C	C	.	.			trans	-138.1	115.5	-170.5	-172.9	0	0	0	0	112	M656 A660 F661 V662	M656-C658 PolarHBondContact O-N 3.14Å; C658-A660 VanDerWaalsContact C-N 3.32Å; C658-A660 PolarHBondContact O-N 2.74Å; C658-F661 HydrophobicContact CB-CB 4.21Å; C658-F661 WeakPolarHBondContact O-CB 3.47Å; C658-F661 PolarHBondContact O-N 3.4Å; C658-V662 PolarHBondContact O-N 2.63Å
659	D	95.9	Very high	97	Very high	116 Å²	116	28.8 Å²	28.8	62%	0.62	16%	0.157	S	C	*	.	H	α-helix	trans	-69.8	-27.8	-179.3	-62.4	-38.4	0	0	0	112.9	F661 V662 H663	D659-F661 PolarHBondContact O-N 2.78Å; D659-V662 WeakPolarHBondContact O-CB 3.27Å; D659-V662 PolarHBondContact O-N 2.83Å; D659-H663 PolarHBondContact O-N 3.14Å
660	A	95.4	Very high	97	Very high	47 Å²	47	29 Å²	29	39%	0.388	16%	0.158	S	C	.	.	H	α-helix	trans	-62.8	-34.1	173.5	0	0	0	0	0	111.5	C628 C658 H663 I664	C628-A660 HydrophobicContact CB-CB 4.24Å; C658-A660 VanDerWaalsContact C-N 3.32Å; C658-A660 PolarHBondContact O-N 2.74Å; A660-H663 PolarHBondContact O-N 3.05Å; A660-I664 PolarHBondContact O-N 2.79Å
661	F	97.4	Very high	97	Very high	1 Å²	1	29 Å²	29	0%	0.004	16%	0.158	C	C	.	.	H	α-helix	trans	-71	-41.2	175.2	-178	-136.3	0	0	0	111.6	C628 A638 A650 F651 C658 D659 H663 I664 G665 L671 H673 I699 M703	C628-F661 VanDerWaalsContact SG-CA 3.57Å; A638-F661 HydrophobicContact CB-CB 4.42Å; A638-F661 HydrophobicContact CB-CD2 3.34Å; A638-F661 HydrophobicContact CB-CE2 3.61Å; A638-F661 HydrophobicContact CB-CG 3.87Å; A638-F661 HydrophobicContact CB-CZ 4.31Å; A650-F661 HydrophobicContact CB-CE2 3.9Å; A650-F661 HydrophobicContact CB-CZ 3.87Å; F651-F661 VanDerWaalsContact C-CZ 3.47Å; C658-F661 HydrophobicContact CB-CB 4.21Å; C658-F661 WeakPolarHBondContact O-CB 3.47Å; C658-F661 PolarHBondContact O-N 3.4Å; D659-F661 PolarHBondContact O-N 2.78Å; F661-H663 VanDerWaalsContact C-N 3.25Å; F661-H663 PolarHBondContact O-N 2.82Å; F661-I664 HydrophobicContact CD2-CD1 4.24Å; F661-I664 HydrophobicContact CD2-CG1 4.11Å; F661-I664 PolarHBondContact O-N 2.81Å; F661-G665 PolarHBondContact O-N 2.99Å; F661-L671 HydrophobicContact CE1-CD1 3.61Å; F661-L671 HydrophobicContact CZ-CD1 3.57Å; F661-H673 AromaticContact CE1-CD2 3.72Å; F661-I699 HydrophobicContact CD1-CG2 4.28Å; F661-M703 HydrophobicContact CD1-CE 3.89Å; F661-M703 HydrophobicContact CD2-CE 4.28Å; F661-M703 HydrophobicContact CE1-CE 3.79Å; F661-M703 HydrophobicContact CE2-CE 4.19Å; F661-M703 HydrophobicContact CG-CE 4.14Å; F661-M703 HydrophobicContact CZ-CE 3.94Å; F661-M703 WeakPolarHBondContact O-CE 3.47Å
662	V	97.4	Very high	97	Very high	20 Å²	20	28.7 Å²	28.7	12%	0.121	16%	0.157	C	C	.	.	H	α-helix	trans	-54.1	-43.8	170.9	176.2	0	0	0	0	110.7	C658 D659 G665 N666 I699 K702 M703	C658-V662 PolarHBondContact O-N 2.63Å; D659-V662 WeakPolarHBondContact O-CB 3.27Å; D659-V662 PolarHBondContact O-N 2.83Å; V662-G665 PolarHBondContact O-N 2.5Å; V662-N666 PolarHBondContact O-N 2.97Å; V662-I699 HydrophobicContact CG2-CD1 3.78Å; V662-I699 HydrophobicContact CG2-CG2 4Å; V662-K702 HydrophobicContact CG1-CB 4.13Å; V662-K702 HydrophobicContact CG2-CB 4.27Å; V662-M703 HydrophobicContact CG1-CB 4.41Å
663	H	96.6	Very high	97	Very high	121 Å²	121	28.7 Å²	28.7	56%	0.56	16%	0.156	S	C	*	.	H	α-helix	trans	-61.7	-52.8	179.9	-178	70.7	0	0	0	113.2	D600 D659 A660 F661 G665 N666	D600-H663 IonicContact OD2-CD2 3.54Å; D659-H663 PolarHBondContact O-N 3.14Å; A660-H663 PolarHBondContact O-N 3.05Å; F661-H663 VanDerWaalsContact C-N 3.25Å; F661-H663 PolarHBondContact O-N 2.82Å; H663-G665 VanDerWaalsContact C-N 3.28Å; H663-G665 PolarHBondContact O-N 2.81Å; H663-N666 PolarHBondContact O-N 2.9Å
664	I	96.7	Very high	96.9	Very high	5 Å²	5	28.7 Å²	28.7	3%	0.026	16%	0.156	C	C	.	.	H	α-helix	trans	-71.9	-26	-178.3	67.5	163.6	0	0	0	112.4	C628 S640 A660 F661	C628-I664 HydrophobicContact CB-CD1 3.86Å; C628-I664 HydrophobicContact CB-CG1 4.4Å; C628-I664 HydrophobicContact CB-CG2 4.31Å; C628-I664 VanDerWaalsContact SG-CD1 3.56Å; S640-I664 VanDerWaalsContact CB-O 3.27Å; S640-I664 WeakPolarHBondContact CB-O 3.21Å; S640-I664 PolarHBondContact OG-O 3Å; A660-I664 PolarHBondContact O-N 2.79Å; F661-I664 HydrophobicContact CD2-CD1 4.24Å; F661-I664 HydrophobicContact CD2-CG1 4.11Å; F661-I664 PolarHBondContact O-N 2.81Å
665	G	96.4	Very high	96.8	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-90	-5.7	-179.2	0	0	0	0	0	114.7	F661 V662 H663 E667 A668 M703	F661-G665 PolarHBondContact O-N 2.99Å; V662-G665 PolarHBondContact O-N 2.5Å; H663-G665 VanDerWaalsContact C-N 3.28Å; H663-G665 PolarHBondContact O-N 2.81Å; G665-E667 PolarHBondContact O-N 3.48Å; G665-A668 WeakPolarHBondContact O-CB 3.28Å; G665-A668 PolarHBondContact O-N 3.44Å; G665-M703 WeakPolarHBondContact O-CG 3.32Å; G665-M703 VanDerWaalsContact O-SD 3.35Å
666	N	97.3	Very high	96.5	Very high	69 Å²	69	29 Å²	29	37%	0.369	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-46.9	131.6	-173.5	-173.6	75.1	0	0	0	112.7	K648 V662 H663 A668 M703	K648-N666 PolarHBondContact NZ-O 3.11Å; V662-N666 PolarHBondContact O-N 2.97Å; H663-N666 PolarHBondContact O-N 2.9Å; N666-A668 VanDerWaalsContact C-N 3.34Å; N666-M703 CarbonylContact C-O 3.57Å; N666-M703 WeakPolarHBondContact CA-O 3.48Å
667	E	97.4	Very high	96.1	Very high	120 Å²	120	28.4 Å²	28.4	56%	0.561	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.6	41.2	-175	-60.7	170	146.6	0	0	112.8	G665 M703	G665-E667 PolarHBondContact O-N 3.48Å; E667-M703 PolarHBondContact N-O 2.99Å
668	A	97.4	Very high	95.7	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.146	C	C	.	.			trans	-67.4	131.2	172.8	0	0	0	0	0	110.7	K648 A650 G665 N666 L670 M703 A705 D706	K648-A668 HydrophobicContact CD-CB 4.45Å; K648-A668 HydrophobicContact CG-CB 4.44Å; A650-A668 HydrophobicContact CB-CB 4.02Å; G665-A668 WeakPolarHBondContact O-CB 3.28Å; G665-A668 PolarHBondContact O-N 3.44Å; N666-A668 VanDerWaalsContact C-N 3.34Å; A668-L670 VanDerWaalsContact C-N 3.29Å; A668-M703 HydrophobicContact CB-SD 3.97Å; A668-A705 CarbonylContact O-C 3.57Å; A668-A705 VanDerWaalsContact O-CA 3.28Å; A668-A705 WeakPolarHBondContact O-CA 3.1Å; A668-D706 PolarHBondContact O-N 2.81Å
669	T	97.4	Very high	95.3	Very high	26 Å²	26	28.7 Å²	28.7	16%	0.16	15%	0.154	C	C	.	.	S	Bend	trans	-65.5	-37.2	169.4	-47.8	0	0	0	0	110.9	W647 K648 F707 F742 F745	W647-T669 HydrophobicContact CB-CG2 4.38Å; K648-T669 PolarHBondContact N-OG1 3.01Å; K648-T669 VanDerWaalsContact N-OG1 3.09Å; K648-T669 WeakPolarHBondContact O-CA 3.37Å; K648-T669 VanDerWaalsContact O-CB 3.28Å; K648-T669 WeakPolarHBondContact O-CB 3.09Å; K648-T669 PolarHBondContact O-N 3.33Å; T669-F707 PolarHBondContact O-N 2.68Å; T669-F742 HydrophobicContact CG2-CD2 3.97Å; T669-F742 HydrophobicContact CG2-CE2 4.03Å; T669-F742 HydrophobicContact CG2-CG 4.36Å; T669-F742 HydrophobicContact CG2-CZ 4.48Å; T669-F745 HydrophobicContact CG2-CE2 4.28Å; T669-F745 WeakPolarHBondContact O-CE2 3.42Å
670	L	97.7	Very high	94.7	Very high	3 Å²	3	27.5 Å²	27.5	2%	0.016	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	122.7	173.3	-179.3	59.6	0	0	0	110.2	V469 K648 L649 A650 A668 I672 F707 M709 F742 F745	V469-L670 HydrophobicContact CG2-CD2 3.87Å; K648-L670 PolarHBondContact O-N 3.44Å; K648-L670 VanDerWaalsContact O-N 3.13Å; L649-L670 WeakPolarHBondContact CA-O 3.39Å; L649-L670 HydrophobicContact CD1-CD2 4.03Å; L649-L670 HydrophobicContact CG-CB 4.42Å; A650-L670 PolarHBondContact N-O 3.16Å; A668-L670 VanDerWaalsContact C-N 3.29Å; L670-I672 HydrophobicContact CD2-CD1 4.23Å; L670-I672 HydrophobicContact CD2-CG1 4.14Å; L670-I672 HydrophobicContact CG-CG1 4.08Å; L670-F707 HydrophobicContact CD1-CB 4.42Å; L670-F707 HydrophobicContact CD1-CD1 4.06Å; L670-M709 HydrophobicContact CD1-CB 4.11Å; L670-F742 HydrophobicContact CB-CE1 4.07Å; L670-F742 HydrophobicContact CD2-CE1 4.07Å; L670-F745 HydrophobicContact CB-CZ 4.06Å; L670-F745 HydrophobicContact CD1-CE1 4Å; L670-F745 HydrophobicContact CD1-CZ 3.92Å; L670-F745 HydrophobicContact CG-CZ 4.38Å
671	L	98.4	Very high	94.2	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	126.7	163.9	169.5	61.4	0	0	0	109.1	A650 F661 H673 M703 A705 F707 I708 M709	A650-L671 HydrophobicContact CB-CD1 3.98Å; F661-L671 HydrophobicContact CE1-CD1 3.61Å; F661-L671 HydrophobicContact CZ-CD1 3.57Å; L671-H673 HydrophobicContact CD1-CB 4.14Å; L671-H673 HydrophobicContact CD2-CB 4.18Å; L671-H673 HydrophobicContact CG-CB 4.02Å; L671-M703 HydrophobicContact CB-SD 4.3Å; L671-M703 HydrophobicContact CD1-CE 4.03Å; L671-M703 HydrophobicContact CD1-SD 3.99Å; L671-M703 HydrophobicContact CD2-CE 4.43Å; L671-M703 HydrophobicContact CD2-SD 4.15Å; L671-M703 HydrophobicContact CG-SD 4.37Å; L671-A705 HydrophobicContact CB-CB 3.95Å; L671-F707 PolarHBondContact N-O 3Å; L671-I708 HydrophobicContact CD2-CG1 4.43Å; L671-I708 HydrophobicContact CD2-CG2 4.23Å; L671-M709 PolarHBondContact O-N 3.37Å
672	I	98.4	Very high	93.8	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	109.1	165.8	-56.3	174.8	0	0	0	106.9	V469 F471 T488 L502 L649 A650 F651 S652 L670 M709 N711	V469-I672 HydrophobicContact CG1-CD1 4.13Å; F471-I672 HydrophobicContact CE1-CD1 4.06Å; F471-I672 HydrophobicContact CE1-CG1 4.46Å; F471-I672 HydrophobicContact CE1-CG2 4.18Å; F471-I672 HydrophobicContact CZ-CD1 4.17Å; T488-I672 HydrophobicContact CG2-CD1 4.09Å; L502-I672 HydrophobicContact CD1-CD1 4.46Å; L649-I672 HydrophobicContact CD1-CD1 4.35Å; L649-I672 HydrophobicContact CD2-CD1 4.39Å; A650-I672 PolarHBondContact O-N 2.95Å; F651-I672 WeakPolarHBondContact CA-O 3.48Å; F651-I672 HydrophobicContact CD2-CB 3.96Å; F651-I672 HydrophobicContact CD2-CG2 3.81Å; F651-I672 HydrophobicContact CE2-CG2 4.12Å; S652-I672 PolarHBondContact N-O 2.85Å; S652-I672 VanDerWaalsContact N-O 3.08Å; L670-I672 HydrophobicContact CD2-CD1 4.23Å; L670-I672 HydrophobicContact CD2-CG1 4.14Å; L670-I672 HydrophobicContact CG-CG1 4.08Å; I672-M709 WeakPolarHBondContact CA-O 3.35Å; I672-M709 HydrophobicContact CG1-CB 4.36Å; I672-N711 HydrophobicContact CG2-CB 3.9Å
673	H	98	Very high	93.4	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.005	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	140.3	-174.6	-157.1	-65.9	0	0	0	111.5	S652 F661 L671 A696 M709 N711	S652-H673 WeakPolarHBondContact OG-CA 3.35Å; F661-H673 AromaticContact CE1-CD2 3.72Å; L671-H673 HydrophobicContact CD1-CB 4.14Å; L671-H673 HydrophobicContact CD2-CB 4.18Å; L671-H673 HydrophobicContact CG-CB 4.02Å; H673-A696 HydrophobicContact CB-CB 4.28Å; H673-M709 PolarHBondContact N-O 2.88Å; H673-N711 PolarHBondContact O-N 2.82Å
674	E	96.1	Very high	93	Very high	2 Å²	2	32.9 Å²	32.9	1%	0.009	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	137.8	170.7	73	122.3	121.2	0	0	111.4	S652 G653 D654 T655 T676 H690 S691 A696 N711 H712	S652-E674 PolarHBondContact OG-N 3.06Å; G653-E674 WeakPolarHBondContact O-CB 3.32Å; G653-E674 WeakPolarHBondContact O-CG 3.43Å; D654-E674 WeakPolarHBondContact CA-OE1 3.45Å; T655-E674 PolarHBondContact N-OE1 3.06Å; E674-T676 WeakPolarHBondContact OE2-CB 3.47Å; E674-T676 PolarHBondContact OE2-N 2.79Å; E674-T676 PolarHBondContact OE2-OG1 3.42Å; E674-H690 WeakPolarHBondContact OE1-CA 3.43Å; E674-H690 IonicContact OE1-CG 3.17Å; E674-H690 IonicContact OE1-ND1 3.33Å; E674-H690 PolarHBondContact OE1-ND1 2.84Å; E674-H690 WeakPolarHBondContact OE2-CB 3.23Å; E674-H690 IonicContact OE2-CG 2.72Å; E674-H690 IonicContact OE2-ND1 2.68Å; E674-S691 PolarHBondContact OE2-N 3.22Å; E674-A696 VanDerWaalsContact O-CB 3.3Å; E674-A696 WeakPolarHBondContact O-CB 3.38Å; E674-N711 CarbonylContact C-O 3.56Å; E674-N711 WeakPolarHBondContact CA-O 3.47Å; E674-H712 HydrophobicContact CB-CB 3.92Å
675	A	94.2	Very high	92.6	Very high	2 Å²	2	32.7 Å²	32.7	2%	0.017	16%	0.162	C	C	.	.			trans	-136.7	58	176.9	0	0	0	0	0	108.3	L677 A696 L710 N711 F713	A675-L677 VanDerWaalsContact C-N 3.32Å; A675-L677 PolarHBondContact O-N 3.33Å; A675-A696 HydrophobicContact CB-CB 4.25Å; A675-L710 HydrophobicContact CB-CB 4.08Å; A675-L710 HydrophobicContact CB-CD2 4.13Å; A675-L710 HydrophobicContact CB-CG 4.49Å; A675-N711 PolarHBondContact N-O 2.96Å; A675-F713 HydrophobicContact CB-CD1 4.35Å; A675-F713 HydrophobicContact CB-CE1 4Å; A675-F713 WeakPolarHBondContact O-CD1 3.35Å
676	T	90.8	Very high	92.4	Very high	8 Å²	8	36.6 Å²	36.6	5%	0.049	19%	0.186	C	C	.	.			trans	-63.6	-38.3	-167	-53.6	0	0	0	0	112.2	E674 H690 S691 H712 S714	E674-T676 WeakPolarHBondContact OE2-CB 3.47Å; E674-T676 PolarHBondContact OE2-N 2.79Å; E674-T676 PolarHBondContact OE2-OG1 3.42Å; T676-H690 HydrophobicContact CG2-CB 4.33Å; T676-H690 PolarHBondContact OG1-ND1 3.42Å; T676-S691 PolarHBondContact N-O 2.87Å; T676-H712 VanDerWaalsContact CA-O 3.26Å; T676-H712 WeakPolarHBondContact CA-O 3.35Å; T676-H712 PolarHBondContact OG1-ND1 3.38Å; T676-H712 PolarHBondContact OG1-O 3.45Å; T676-S714 WeakPolarHBondContact O-CA 3.42Å; T676-S714 WeakPolarHBondContact O-CB 3.18Å; T676-S714 PolarHBondContact O-N 2.92Å
677	L	89.1	Confident	92.1	Very high	5 Å²	5	40.6 Å²	40.6	3%	0.026	20%	0.202	C	C	.	.	B	Isolated β-bridge	trans	-123.2	153.2	-170.8	-70.2	163.8	0	0	0	113	A675 L681 Q684 A685 S691 T692 T693 Y717	A675-L677 VanDerWaalsContact C-N 3.32Å; A675-L677 PolarHBondContact O-N 3.33Å; L677-L681 HydrophobicContact CB-CB 4.18Å; L677-L681 HydrophobicContact CD2-CB 4.27Å; L677-L681 HydrophobicContact CD2-CD1 3.79Å; L677-Q684 HydrophobicContact CD1-CB 4.35Å; L677-A685 HydrophobicContact CB-CB 4.15Å; L677-A685 HydrophobicContact CD1-CB 3.59Å; L677-S691 PolarHBondContact N-O 3.32Å; L677-T692 CarbonylContact O-C 3.54Å; L677-T692 WeakPolarHBondContact O-CA 3.39Å; L677-T693 PolarHBondContact O-N 3.47Å; L677-T693 VanDerWaalsContact O-N 3.16Å; L677-Y717 HydrophobicContact CD2-CD2 3.71Å; L677-Y717 HydrophobicContact CD2-CE2 3.77Å
678	E	86.5	Confident	91.8	Very high	9 Å²	9	39 Å²	39	4%	0.042	19%	0.193	C	C	.	.			trans	-68.8	156.4	171.5	-58.9	174.9	152.1	0	0	110.5	E680 L681 M766 R773	E678-E680 PolarHBondContact O-N 2.89Å; E678-L681 HydrophobicContact CB-CD1 4.44Å; E678-L681 HydrophobicContact CB-CG 4.42Å; E678-L681 WeakPolarHBondContact O-CA 3.34Å; E678-L681 WeakPolarHBondContact O-CB 3.49Å; E678-L681 PolarHBondContact O-N 2.97Å; E678-M766 WeakPolarHBondContact OE1-CE 3.43Å; E678-R773 IonicContact OE2-CZ 3.04Å; E678-R773 IonicContact OE2-NH1 3.75Å; E678-R773 IonicContact OE2-NH2 2.63Å; E678-R773 PolarHBondContact OE2-NH2 3.3Å; E678-R773 VanDerWaalsContact OE2-NH2 3.08Å
679	D	86.5	Confident	91.6	Very high	48 Å²	48	45.7 Å²	45.7	26%	0.257	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-64.2	-27.6	-176.3	-61.6	-53.6	0	0	0	112.8	L681 L682 T692 T693 S694	D679-L681 PolarHBondContact O-N 3.4Å; D679-L682 WeakPolarHBondContact O-CB 3.25Å; D679-L682 PolarHBondContact O-N 2.99Å; D679-T692 WeakPolarHBondContact OD1-CB 3.46Å; D679-T692 PolarHBondContact OD1-OG1 3.07Å; D679-T693 PolarHBondContact OD1-N 3.34Å; D679-S694 VanDerWaalsContact OD1-CB 3.31Å; D679-S694 WeakPolarHBondContact OD1-CB 3.26Å; D679-S694 PolarHBondContact OD1-N 3.08Å; D679-S694 PolarHBondContact OD1-OG 3.3Å; D679-S694 PolarHBondContact OD2-OG 3.21Å; D679-S694 VanDerWaalsContact OD2-OG 3.1Å
680	E	84	Confident	91.5	Very high	91 Å²	91	45.3 Å²	45.3	43%	0.425	22%	0.215	S	C	.	.	G	3₁₀ helix	trans	-70.9	-17.9	173.9	-63.3	70.8	-157	0	0	113.1	E678 L682 R770	E678-E680 PolarHBondContact O-N 2.89Å; E680-L682 VanDerWaalsContact C-N 3.27Å; E680-R770 HydrophobicContact CG-CG 4.15Å; E680-R770 IonicContact OE1-CZ 2.73Å; E680-R770 IonicContact OE1-NE 2.81Å; E680-R770 PolarHBondContact OE1-NE 2.97Å; E680-R770 IonicContact OE1-NH2 2.61Å; E680-R770 PolarHBondContact OE1-NH2 3.31Å; E680-R770 IonicContact OE2-NE 3.73Å
681	L	84.7	Confident	91.4	Very high	11 Å²	11	45.2 Å²	45.2	6%	0.058	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-94.8	21.9	178.6	-60.3	179.7	0	0	0	111.6	L677 E678 D679 E683 Q684 A685 Y717	L677-L681 HydrophobicContact CB-CB 4.18Å; L677-L681 HydrophobicContact CD2-CB 4.27Å; L677-L681 HydrophobicContact CD2-CD1 3.79Å; E678-L681 HydrophobicContact CB-CD1 4.44Å; E678-L681 HydrophobicContact CB-CG 4.42Å; E678-L681 WeakPolarHBondContact O-CA 3.34Å; E678-L681 WeakPolarHBondContact O-CB 3.49Å; E678-L681 PolarHBondContact O-N 2.97Å; D679-L681 PolarHBondContact O-N 3.4Å; L681-E683 VanDerWaalsContact C-N 3.28Å; L681-E683 PolarHBondContact O-N 3.37Å; L681-Q684 HydrophobicContact CB-CB 4.46Å; L681-Q684 CarbonylContact O-C 3.59Å; L681-Q684 WeakPolarHBondContact O-CA 3.41Å; L681-Q684 WeakPolarHBondContact O-CB 3.42Å; L681-Q684 PolarHBondContact O-N 2.98Å; L681-A685 PolarHBondContact O-N 2.95Å; L681-Y717 HydrophobicContact CD1-CD1 3.97Å; L681-Y717 HydrophobicContact CD1-CD2 4.06Å; L681-Y717 HydrophobicContact CD1-CE1 4.32Å; L681-Y717 HydrophobicContact CD1-CE2 4.44Å; L681-Y717 HydrophobicContact CD1-CG 3.83Å
682	L	89	Confident	91.1	Very high	78 Å²	78	45.4 Å²	45.4	41%	0.408	22%	0.215	S	C	.	.	H	α-helix	trans	-50	-43.6	-178.9	-180	61.7	0	0	0	113.4	D679 E680 Q684 A685 V686 T692	D679-L682 WeakPolarHBondContact O-CB 3.25Å; D679-L682 PolarHBondContact O-N 2.99Å; E680-L682 VanDerWaalsContact C-N 3.27Å; L682-Q684 VanDerWaalsContact C-N 3.35Å; L682-Q684 PolarHBondContact O-N 2.99Å; L682-A685 WeakPolarHBondContact O-CB 3.42Å; L682-A685 PolarHBondContact O-N 3.36Å; L682-A685 VanDerWaalsContact O-N 3.16Å; L682-V686 HydrophobicContact CD1-CG2 4.41Å; L682-V686 WeakPolarHBondContact O-CG2 3.36Å; L682-V686 PolarHBondContact O-N 3.03Å; L682-T692 HydrophobicContact CB-CG2 4.38Å; L682-T692 HydrophobicContact CD1-CG2 3.93Å
683	E	89.6	Confident	90.8	Very high	154 Å²	154	45.6 Å²	45.6	72%	0.72	22%	0.217	S	C	*	.	H	α-helix	trans	-61.8	-43	177.6	-67.1	-176.2	175.1	0	0	111.8	L681 A685 V686 E687	L681-E683 VanDerWaalsContact C-N 3.28Å; L681-E683 PolarHBondContact O-N 3.37Å; E683-A685 VanDerWaalsContact C-N 3.3Å; E683-A685 PolarHBondContact O-N 3.36Å; E683-V686 PolarHBondContact O-N 2.91Å; E683-E687 WeakPolarHBondContact O-CB 3.38Å; E683-E687 PolarHBondContact O-N 3.14Å
684	Q	87.3	Confident	90.6	Very high	59 Å²	59	47.2 Å²	47.2	28%	0.276	23%	0.228	S	C	.	.	H	α-helix	trans	-69.3	-31.4	175.6	-67	-175.1	45.5	0	0	111.8	L677 L681 L682 E687 K688 Y717	L677-Q684 HydrophobicContact CD1-CB 4.35Å; L681-Q684 HydrophobicContact CB-CB 4.46Å; L681-Q684 CarbonylContact O-C 3.59Å; L681-Q684 WeakPolarHBondContact O-CA 3.41Å; L681-Q684 WeakPolarHBondContact O-CB 3.42Å; L681-Q684 PolarHBondContact O-N 2.98Å; L682-Q684 VanDerWaalsContact C-N 3.35Å; L682-Q684 PolarHBondContact O-N 2.99Å; Q684-E687 PolarHBondContact O-N 3.24Å; Q684-K688 VanDerWaalsContact O-CB 3.26Å; Q684-K688 WeakPolarHBondContact O-CB 3.25Å; Q684-K688 WeakPolarHBondContact O-CG 3.37Å; Q684-K688 PolarHBondContact O-N 2.97Å; Q684-Y717 PolarHBondContact OE1-OH 3.37Å
685	A	89.4	Confident	90.5	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-65.7	-44.9	175.5	0	0	0	0	0	110.6	L677 L681 L682 E683 R689 H690 T692	L677-A685 HydrophobicContact CB-CB 4.15Å; L677-A685 HydrophobicContact CD1-CB 3.59Å; L681-A685 PolarHBondContact O-N 2.95Å; L682-A685 WeakPolarHBondContact O-CB 3.42Å; L682-A685 PolarHBondContact O-N 3.36Å; L682-A685 VanDerWaalsContact O-N 3.16Å; E683-A685 VanDerWaalsContact C-N 3.3Å; E683-A685 PolarHBondContact O-N 3.36Å; A685-R689 CarbonylContact O-C 3.54Å; A685-R689 VanDerWaalsContact O-CA 3.23Å; A685-R689 WeakPolarHBondContact O-CA 3.49Å; A685-R689 PolarHBondContact O-N 2.88Å; A685-H690 CarbonylContact C-O 3.58Å; A685-H690 WeakPolarHBondContact CB-O 3.33Å; A685-H690 PolarHBondContact O-N 3.11Å; A685-T692 HydrophobicContact CB-CG2 3.76Å
686	V	91.6	Very high	90.6	Very high	83 Å²	83	49.4 Å²	49.4	50%	0.503	24%	0.238	S	C	.	.	H	α-helix	trans	-62.5	-45.3	172.8	174.6	0	0	0	0	111.6	M656 L682 E683 R689	M656-V686 HydrophobicContact CE-CB 4.47Å; M656-V686 HydrophobicContact CE-CG2 3.8Å; L682-V686 HydrophobicContact CD1-CG2 4.41Å; L682-V686 WeakPolarHBondContact O-CG2 3.36Å; L682-V686 PolarHBondContact O-N 3.03Å; E683-V686 PolarHBondContact O-N 2.91Å; V686-R689 PolarHBondContact O-N 3.05Å
687	E	91.1	Very high	90.8	Very high	153 Å²	153	49.3 Å²	49.3	72%	0.715	24%	0.237	S	C	*	.	H	α-helix	trans	-63.1	-47.8	-179.5	-174.3	-176.8	-172.4	0	0	112.1	E683 Q684 R689	E683-E687 WeakPolarHBondContact O-CB 3.38Å; E683-E687 PolarHBondContact O-N 3.14Å; Q684-E687 PolarHBondContact O-N 3.24Å; E687-R689 VanDerWaalsContact C-N 3.27Å; E687-R689 PolarHBondContact O-N 3.33Å
688	K	89.6	Confident	91.1	Very high	85 Å²	85	50.5 Å²	50.5	37%	0.37	25%	0.251	S	S	.	.	H	α-helix	trans	-82.8	-5.6	179.8	-61.8	175.1	-178.5	164.7	0	113.2	Q684 H690 Y717	Q684-K688 VanDerWaalsContact O-CB 3.26Å; Q684-K688 WeakPolarHBondContact O-CB 3.25Å; Q684-K688 WeakPolarHBondContact O-CG 3.37Å; Q684-K688 PolarHBondContact O-N 2.97Å; K688-H690 PolarHBondContact O-CD2 2.94Å; K688-H690 VanDerWaalsContact O-CD2 3.29Å; K688-Y717 PolarHBondContact NZ-OH 3.17Å
689	R	94.8	Very high	91.6	Very high	142 Å²	142	50.2 Å²	50.2	54%	0.536	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.7	50.9	178.7	-53.1	179.4	177.4	-168.7	-1.7	114	H632 M656 A685 V686 E687	H632-R689 PolarHBondContact ND1-O 3Å; H632-R689 WeakPolarHBondContact O-CD 3.28Å; H632-R689 PolarHBondContact O-NH1 2.98Å; M656-R689 HydrophobicContact CG-CB 4.16Å; M656-R689 VanDerWaalsContact SD-CA 3.59Å; A685-R689 CarbonylContact O-C 3.54Å; A685-R689 VanDerWaalsContact O-CA 3.23Å; A685-R689 WeakPolarHBondContact O-CA 3.49Å; A685-R689 PolarHBondContact O-N 2.88Å; V686-R689 PolarHBondContact O-N 3.05Å; E687-R689 VanDerWaalsContact C-N 3.27Å; E687-R689 PolarHBondContact O-N 3.33Å
690	H	95	Very high	92.1	Very high	18 Å²	18	48 Å²	48	8%	0.083	24%	0.238	C	C	.	.			trans	-124.4	165.3	176	-71.2	-75.5	0	0	0	111.5	H632 D654 M656 E674 T676 A685 K688	H632-H690 AromaticContact CE1-CE1 3.49Å; H632-H690 PolarHBondContact CE1-CE1 3.2Å; H632-H690 VanDerWaalsContact CE1-CE1 3.49Å; H632-H690 AromaticContact CE1-NE2 3.64Å; D654-H690 IonicContact OD2-CE1 3.58Å; D654-H690 PolarHBondContact OD2-CE1 2.94Å; D654-H690 IonicContact OD2-ND1 3.96Å; M656-H690 PolarHBondContact SD-N 3.28Å; M656-H690 VanDerWaalsContact SD-N 3.43Å; E674-H690 WeakPolarHBondContact OE1-CA 3.43Å; E674-H690 IonicContact OE1-CG 3.17Å; E674-H690 IonicContact OE1-ND1 3.33Å; E674-H690 PolarHBondContact OE1-ND1 2.84Å; E674-H690 WeakPolarHBondContact OE2-CB 3.23Å; E674-H690 IonicContact OE2-CG 2.72Å; E674-H690 IonicContact OE2-ND1 2.68Å; T676-H690 HydrophobicContact CG2-CB 4.33Å; T676-H690 PolarHBondContact OG1-ND1 3.42Å; A685-H690 CarbonylContact C-O 3.58Å; A685-H690 WeakPolarHBondContact CB-O 3.33Å; A685-H690 PolarHBondContact O-N 3.11Å; K688-H690 PolarHBondContact O-CD2 2.94Å; K688-H690 VanDerWaalsContact O-CD2 3.29Å
691	S	94.6	Very high	92.7	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.237	C	C	.	.			trans	-88.7	147.2	176.1	-67.9	0	0	0	0	111.8	T655 E674 T676 L677	T655-S691 PolarHBondContact O-N 3.11Å; T655-S691 PolarHBondContact O-OG 3.35Å; E674-S691 PolarHBondContact OE2-N 3.22Å; T676-S691 PolarHBondContact N-O 2.87Å; L677-S691 PolarHBondContact N-O 3.32Å
692	T	93.7	Very high	93.3	Very high	4 Å²	4	53.9 Å²	53.9	3%	0.025	26%	0.264	C	S	.	.	B	Isolated β-bridge	trans	-79.7	167.4	162.4	76.1	0	0	0	0	111.3	L677 D679 L682 A685 Q695 A696	L677-T692 CarbonylContact O-C 3.54Å; L677-T692 WeakPolarHBondContact O-CA 3.39Å; D679-T692 WeakPolarHBondContact OD1-CB 3.46Å; D679-T692 PolarHBondContact OD1-OG1 3.07Å; L682-T692 HydrophobicContact CB-CG2 4.38Å; L682-T692 HydrophobicContact CD1-CG2 3.93Å; A685-T692 HydrophobicContact CB-CG2 3.76Å; T692-Q695 VanDerWaalsContact N-OE1 3.08Å; T692-Q695 WeakPolarHBondContact O-CB 3.26Å; T692-Q695 PolarHBondContact O-N 2.88Å; T692-Q695 WeakPolarHBondContact OG1-CG 3.46Å; T692-Q695 PolarHBondContact OG1-N 2.95Å; T692-A696 PolarHBondContact O-N 3.41Å
693	T	92.3	Very high	93.7	Very high	5 Å²	5	50.1 Å²	50.1	3%	0.031	24%	0.244	C	C	.	.	H	α-helix	trans	-54.3	-54.5	176.2	-57.8	0	0	0	0	112.7	L677 D679 Q695 A696 I697 L710 F727	L677-T693 PolarHBondContact O-N 3.47Å; L677-T693 VanDerWaalsContact O-N 3.16Å; D679-T693 PolarHBondContact OD1-N 3.34Å; T693-Q695 VanDerWaalsContact C-N 3.28Å; T693-Q695 PolarHBondContact O-N 3.32Å; T693-A696 PolarHBondContact O-N 2.78Å; T693-I697 HydrophobicContact CG2-CD1 4.11Å; T693-I697 WeakPolarHBondContact O-CG1 3.48Å; T693-I697 PolarHBondContact O-N 3.08Å; T693-I697 VanDerWaalsContact O-N 3.07Å; T693-L710 HydrophobicContact CG2-CD1 3.9Å; T693-F727 HydrophobicContact CG2-CE2 3.82Å; T693-F727 HydrophobicContact CG2-CZ 4.07Å
694	S	92.8	Very high	94	Very high	35 Å²	35	46.8 Å²	46.8	25%	0.245	23%	0.231	C	C	.	.	H	α-helix	trans	-64.9	-32.3	179.7	-67.3	0	0	0	0	112.6	D679 G698 D726	D679-S694 VanDerWaalsContact OD1-CB 3.31Å; D679-S694 WeakPolarHBondContact OD1-CB 3.26Å; D679-S694 PolarHBondContact OD1-N 3.08Å; D679-S694 PolarHBondContact OD1-OG 3.3Å; D679-S694 PolarHBondContact OD2-OG 3.21Å; D679-S694 VanDerWaalsContact OD2-OG 3.1Å; S694-G698 PolarHBondContact O-N 3.18Å; S694-D726 VanDerWaalsContact CB-OD2 3.26Å; S694-D726 WeakPolarHBondContact CB-OD2 3.27Å; S694-D726 PolarHBondContact OG-OD2 2.75Å
695	Q	95.1	Very high	94.5	Very high	49 Å²	49	44 Å²	44	23%	0.229	22%	0.219	C	C	.	.	H	α-helix	trans	-64.7	-44	174.7	-80.4	-178.5	-14.5	0	0	112.4	P657 T692 T693 G698 I699	P657-Q695 HydrophobicContact CG-CB 3.73Å; P657-Q695 HydrophobicContact CG-CG 3.86Å; T692-Q695 VanDerWaalsContact N-OE1 3.08Å; T692-Q695 WeakPolarHBondContact O-CB 3.26Å; T692-Q695 PolarHBondContact O-N 2.88Å; T692-Q695 WeakPolarHBondContact OG1-CG 3.46Å; T692-Q695 PolarHBondContact OG1-N 2.95Å; T693-Q695 VanDerWaalsContact C-N 3.28Å; T693-Q695 PolarHBondContact O-N 3.32Å; Q695-G698 PolarHBondContact O-N 2.92Å; Q695-I699 WeakPolarHBondContact O-CG1 3.27Å; Q695-I699 PolarHBondContact O-N 3.3Å
696	A	95.5	Very high	94.8	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-62.6	-44.9	176.4	0	0	0	0	0	111.5	H673 E674 A675 T692 T693 I699 G700 L710	H673-A696 HydrophobicContact CB-CB 4.28Å; E674-A696 VanDerWaalsContact O-CB 3.3Å; E674-A696 WeakPolarHBondContact O-CB 3.38Å; A675-A696 HydrophobicContact CB-CB 4.25Å; T692-A696 PolarHBondContact O-N 3.41Å; T693-A696 PolarHBondContact O-N 2.78Å; A696-I699 PolarHBondContact O-N 3.09Å; A696-G700 PolarHBondContact O-N 3.29Å; A696-G700 VanDerWaalsContact O-N 3.12Å; A696-L710 HydrophobicContact CB-CD2 3.89Å
697	I	95.6	Very high	95.1	Very high	6 Å²	6	44.5 Å²	44.5	3%	0.031	22%	0.218	C	C	.	.	H	α-helix	trans	-61.3	-46.3	174.9	-63.5	169.4	0	0	0	110.2	T693 I699 G700 M701 I708 L710 D726 F727 V731	T693-I697 HydrophobicContact CG2-CD1 4.11Å; T693-I697 WeakPolarHBondContact O-CG1 3.48Å; T693-I697 PolarHBondContact O-N 3.08Å; T693-I697 VanDerWaalsContact O-N 3.07Å; I697-I699 VanDerWaalsContact C-N 3.32Å; I697-I699 PolarHBondContact O-N 3.35Å; I697-G700 WeakPolarHBondContact O-CA 3.29Å; I697-G700 PolarHBondContact O-N 2.95Å; I697-M701 HydrophobicContact CG2-CE 3.99Å; I697-M701 HydrophobicContact CG2-CG 4.31Å; I697-M701 WeakPolarHBondContact O-CG 3.26Å; I697-M701 PolarHBondContact O-N 3.49Å; I697-I708 HydrophobicContact CG2-CD1 4.49Å; I697-L710 HydrophobicContact CD1-CD1 4.48Å; I697-L710 HydrophobicContact CG1-CD1 4.45Å; I697-L710 HydrophobicContact CG1-CD2 4.12Å; I697-D726 HydrophobicContact CD1-CB 3.82Å; I697-D726 HydrophobicContact CG2-CB 4.31Å; I697-F727 HydrophobicContact CD1-CD2 4.33Å; I697-F727 HydrophobicContact CD1-CE2 4.3Å; I697-V731 HydrophobicContact CD1-CG1 4.2Å; I697-V731 HydrophobicContact CD1-CG2 4.37Å; I697-V731 HydrophobicContact CG1-CG1 4.22Å; I697-V731 HydrophobicContact CG1-CG2 4.21Å; I697-V731 HydrophobicContact CG2-CG2 4.13Å
698	G	95.5	Very high	95.4	Very high	31 Å²	31	37.2 Å²	37.2	32%	0.32	18%	0.184	S	C	.	.	H	α-helix	trans	-59.8	-37.9	178.7	0	0	0	0	0	113.5	S694 Q695 M701 K702	S694-G698 PolarHBondContact O-N 3.18Å; Q695-G698 PolarHBondContact O-N 2.92Å; G698-M701 PolarHBondContact O-N 3.33Å; G698-K702 WeakPolarHBondContact O-CB 2.93Å; G698-K702 WeakPolarHBondContact O-CG 3.35Å; G698-K702 PolarHBondContact O-N 2.81Å
699	I	96.9	Very high	95.7	Very high	3 Å²	3	33.2 Å²	33.2	2%	0.015	17%	0.167	C	C	.	.	H	α-helix	trans	-63.9	-44	172.1	-72.9	-67.7	0	0	0	111	P657 F661 V662 Q695 A696 I697 M701 K702 M703	P657-I699 HydrophobicContact CB-CD1 3.91Å; P657-I699 HydrophobicContact CB-CG1 4.03Å; F661-I699 HydrophobicContact CD1-CG2 4.28Å; V662-I699 HydrophobicContact CG2-CD1 3.78Å; V662-I699 HydrophobicContact CG2-CG2 4Å; Q695-I699 WeakPolarHBondContact O-CG1 3.27Å; Q695-I699 PolarHBondContact O-N 3.3Å; A696-I699 PolarHBondContact O-N 3.09Å; I697-I699 VanDerWaalsContact C-N 3.32Å; I697-I699 PolarHBondContact O-N 3.35Å; I699-M701 PolarHBondContact O-N 3.03Å; I699-K702 PolarHBondContact O-N 2.61Å; I699-M703 HydrophobicContact CG2-CE 4.38Å; I699-M703 VanDerWaalsContact O-CB 3.28Å; I699-M703 WeakPolarHBondContact O-CB 3.4Å; I699-M703 PolarHBondContact O-N 2.57Å
700	G	96.5	Very high	95.8	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-62.9	-39.6	177.2	0	0	0	0	0	113.8	A696 I697 M703 N704 A705	A696-G700 PolarHBondContact O-N 3.29Å; A696-G700 VanDerWaalsContact O-N 3.12Å; I697-G700 WeakPolarHBondContact O-CA 3.29Å; I697-G700 PolarHBondContact O-N 2.95Å; G700-M703 PolarHBondContact O-N 3.03Å; G700-N704 PolarHBondContact O-N 2.91Å; G700-A705 WeakPolarHBondContact O-CB 3.43Å; G700-A705 PolarHBondContact O-N 3.14Å
701	M	96.1	Very high	95.8	Very high	84 Å²	84	25.7 Å²	25.7	41%	0.414	14%	0.138	S	C	.	.	H	α-helix	trans	-65.3	-43.8	174.7	-63.2	-57.8	174.2	0	0	111.6	I697 G698 I699 M703 N704 I708 S728 V731	I697-M701 HydrophobicContact CG2-CE 3.99Å; I697-M701 HydrophobicContact CG2-CG 4.31Å; I697-M701 WeakPolarHBondContact O-CG 3.26Å; I697-M701 PolarHBondContact O-N 3.49Å; G698-M701 PolarHBondContact O-N 3.33Å; I699-M701 PolarHBondContact O-N 3.03Å; M701-M703 VanDerWaalsContact C-N 3.28Å; M701-M703 PolarHBondContact O-N 3.45Å; M701-N704 PolarHBondContact O-N 2.77Å; M701-I708 HydrophobicContact CE-CD1 3.99Å; M701-I708 HydrophobicContact CG-CD1 4.47Å; M701-I708 HydrophobicContact SD-CD1 4.25Å; M701-S728 WeakPolarHBondContact CE-OG 3.48Å; M701-V731 HydrophobicContact CE-CG2 4.48Å
702	K	97	Very high	95.7	Very high	142 Å²	142	25.9 Å²	25.9	62%	0.617	14%	0.139	S	C	*	.	H	α-helix	trans	-63.1	-33.2	174.6	-74.8	177.5	177.8	-174.9	0	113.1	V662 G698 I699 N704	V662-K702 HydrophobicContact CG1-CB 4.13Å; V662-K702 HydrophobicContact CG2-CB 4.27Å; G698-K702 WeakPolarHBondContact O-CB 2.93Å; G698-K702 WeakPolarHBondContact O-CG 3.35Å; G698-K702 PolarHBondContact O-N 2.81Å; I699-K702 PolarHBondContact O-N 2.61Å; K702-N704 PolarHBondContact O-N 2.81Å
703	M	97.1	Very high	95.6	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-7.9	175.6	-171.7	179.6	-71	0	0	112.6	A650 F661 V662 G665 N666 E667 A668 L671 I699 G700 M701 A705	A650-M703 HydrophobicContact CB-CE 4.29Å; A650-M703 HydrophobicContact CB-SD 3.84Å; F661-M703 HydrophobicContact CD1-CE 3.89Å; F661-M703 HydrophobicContact CD2-CE 4.28Å; F661-M703 HydrophobicContact CE1-CE 3.79Å; F661-M703 HydrophobicContact CE2-CE 4.19Å; F661-M703 HydrophobicContact CG-CE 4.14Å; F661-M703 HydrophobicContact CZ-CE 3.94Å; F661-M703 WeakPolarHBondContact O-CE 3.47Å; V662-M703 HydrophobicContact CG1-CB 4.41Å; G665-M703 WeakPolarHBondContact O-CG 3.32Å; G665-M703 VanDerWaalsContact O-SD 3.35Å; N666-M703 CarbonylContact C-O 3.57Å; N666-M703 WeakPolarHBondContact CA-O 3.48Å; E667-M703 PolarHBondContact N-O 2.99Å; A668-M703 HydrophobicContact CB-SD 3.97Å; L671-M703 HydrophobicContact CB-SD 4.3Å; L671-M703 HydrophobicContact CD1-CE 4.03Å; L671-M703 HydrophobicContact CD1-SD 3.99Å; L671-M703 HydrophobicContact CD2-CE 4.43Å; L671-M703 HydrophobicContact CD2-SD 4.15Å; L671-M703 HydrophobicContact CG-SD 4.37Å; I699-M703 HydrophobicContact CG2-CE 4.38Å; I699-M703 VanDerWaalsContact O-CB 3.28Å; I699-M703 WeakPolarHBondContact O-CB 3.4Å; I699-M703 PolarHBondContact O-N 2.57Å; G700-M703 PolarHBondContact O-N 3.03Å; M701-M703 VanDerWaalsContact C-N 3.28Å; M701-M703 PolarHBondContact O-N 3.45Å; M703-A705 PolarHBondContact O-N 2.77Å
704	N	97.1	Very high	95.3	Very high	83 Å²	83	26.2 Å²	26.2	44%	0.444	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.8	43.6	-168.9	-168.1	38.6	0	0	0	111.1	G700 M701 K702	G700-N704 PolarHBondContact O-N 2.91Å; M701-N704 PolarHBondContact O-N 2.77Å; K702-N704 PolarHBondContact O-N 2.81Å
705	A	97.3	Very high	94.4	Very high	2 Å²	2	25.3 Å²	25.3	2%	0.017	13%	0.133	C	C	.	.			trans	-70.2	138.2	178.4	0	0	0	0	0	110.5	A668 L671 G700 M703 F707 I708	A668-A705 CarbonylContact O-C 3.57Å; A668-A705 VanDerWaalsContact O-CA 3.28Å; A668-A705 WeakPolarHBondContact O-CA 3.1Å; L671-A705 HydrophobicContact CB-CB 3.95Å; G700-A705 WeakPolarHBondContact O-CB 3.43Å; G700-A705 PolarHBondContact O-N 3.14Å; M703-A705 PolarHBondContact O-N 2.77Å; A705-F707 VanDerWaalsContact C-N 3.34Å; A705-I708 HydrophobicContact CB-CG1 4.17Å
706	D	96.2	Very high	93	Very high	90 Å²	90	29.9 Å²	29.9	48%	0.481	15%	0.148	S	C	.	.	S	Bend	trans	-66.1	-41.8	175.1	-69.9	-24.3	0	0	0	110.5	A668	A668-D706 PolarHBondContact O-N 2.81Å
707	F	97	Very high	91.2	Very high	3 Å²	3	33.1 Å²	33.1	1%	0.013	16%	0.161	C	C	.	.			trans	-143.5	141.1	176.9	-158.9	-95.9	0	0	0	112.1	T669 L670 L671 A705 M709 K730 F745 L748 P749	T669-F707 PolarHBondContact O-N 2.68Å; L670-F707 HydrophobicContact CD1-CB 4.42Å; L670-F707 HydrophobicContact CD1-CD1 4.06Å; L671-F707 PolarHBondContact N-O 3Å; A705-F707 VanDerWaalsContact C-N 3.34Å; F707-M709 HydrophobicContact CE1-CE 4.15Å; F707-K730 WeakPolarHBondContact CD2-O 3.45Å; F707-F745 HydrophobicContact CB-CB 4.42Å; F707-F745 HydrophobicContact CB-CD1 4.04Å; F707-F745 HydrophobicContact CB-CD2 3.57Å; F707-F745 HydrophobicContact CB-CE1 4.13Å; F707-F745 HydrophobicContact CB-CE2 3.67Å; F707-F745 HydrophobicContact CB-CG 3.77Å; F707-F745 HydrophobicContact CB-CZ 3.94Å; F707-F745 AromaticContact CD1-CD1 3.75Å; F707-F745 HydrophobicContact CD1-CD1 3.75Å; F707-F745 AromaticContact CD1-CE1 3.96Å; F707-F745 HydrophobicContact CD1-CE1 3.96Å; F707-F745 HydrophobicContact CD1-CG 4.19Å; F707-F745 HydrophobicContact CD2-CB 3.62Å; F707-F745 HydrophobicContact CD2-CD1 4.17Å; F707-F745 HydrophobicContact CD2-CD2 4.36Å; F707-F745 AromaticContact CD2-CG 3.82Å; F707-F745 HydrophobicContact CD2-CG 3.82Å; F707-F745 HydrophobicContact CE1-CD1 4.27Å; F707-F745 HydrophobicContact CE2-CB 4.03Å; F707-F745 HydrophobicContact CE2-CG 4.5Å; F707-F745 VanDerWaalsContact CE2-O 3.25Å; F707-F745 WeakPolarHBondContact CE2-O 3.22Å; F707-F745 HydrophobicContact CG-CB 4Å; F707-F745 AromaticContact CG-CD1 3.7Å; F707-F745 HydrophobicContact CG-CD1 3.7Å; F707-F745 HydrophobicContact CG-CD2 4.01Å; F707-F745 HydrophobicContact CG-CE1 4.11Å; F707-F745 HydrophobicContact CG-CE2 4.39Å; F707-F745 AromaticContact CG-CG 3.64Å; F707-F745 HydrophobicContact CG-CG 3.64Å; F707-F745 HydrophobicContact CG-CZ 4.43Å; F707-L748 HydrophobicContact CE1-CD1 3.54Å; F707-L748 HydrophobicContact CZ-CB 3.82Å; F707-L748 HydrophobicContact CZ-CD1 3.63Å; F707-L748 HydrophobicContact CZ-CG 4.37Å; F707-P749 HydrophobicContact CE2-CG 4.26Å
708	I	97.1	Very high	89.5	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	115.5	-177.7	-54.2	166.1	0	0	0	108.4	L671 I697 M701 A705 L710 K730 V731 G732	L671-I708 HydrophobicContact CD2-CG1 4.43Å; L671-I708 HydrophobicContact CD2-CG2 4.23Å; I697-I708 HydrophobicContact CG2-CD1 4.49Å; M701-I708 HydrophobicContact CE-CD1 3.99Å; M701-I708 HydrophobicContact CG-CD1 4.47Å; M701-I708 HydrophobicContact SD-CD1 4.25Å; A705-I708 HydrophobicContact CB-CG1 4.17Å; I708-L710 HydrophobicContact CG2-CD2 4.13Å; I708-K730 PolarHBondContact N-O 2.85Å; I708-V731 HydrophobicContact CB-CG2 4.5Å; I708-V731 HydrophobicContact CD1-CG2 4.43Å; I708-V731 CarbonylContact O-C 3.58Å; I708-V731 WeakPolarHBondContact O-CA 3.44Å; I708-G732 PolarHBondContact O-N 2.97Å
709	M	96.8	Very high	88	Confident	1 Å²	1	36.1 Å²	36.1	1%	0.005	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	116.7	171.4	-172.9	69.3	69.9	0	0	110	F471 L670 L671 I672 H673 F707 I733 M738 V740 L748	F471-M709 HydrophobicContact CE1-CG 3.95Å; F471-M709 HydrophobicContact CE2-CE 4.17Å; F471-M709 HydrophobicContact CE2-CG 4.3Å; F471-M709 HydrophobicContact CZ-CB 4.43Å; F471-M709 HydrophobicContact CZ-CE 4.25Å; F471-M709 HydrophobicContact CZ-CG 3.57Å; F471-M709 HydrophobicContact CZ-SD 4.42Å; L670-M709 HydrophobicContact CD1-CB 4.11Å; L671-M709 PolarHBondContact O-N 3.37Å; I672-M709 WeakPolarHBondContact CA-O 3.35Å; I672-M709 HydrophobicContact CG1-CB 4.36Å; H673-M709 PolarHBondContact N-O 2.88Å; F707-M709 HydrophobicContact CE1-CE 4.15Å; M709-I733 VanDerWaalsContact SD-C 3.57Å; M709-M738 HydrophobicContact CE-CE 4.32Å; M709-V740 HydrophobicContact CE-CG1 4.42Å; M709-V740 HydrophobicContact CE-CG2 4.14Å; M709-L748 HydrophobicContact CE-CD1 3.61Å
710	L	95.8	Very high	86.8	Confident	0 Å²	0	36 Å²	36	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	134.9	173.7	-55.9	179.3	0	0	0	110.2	A675 T693 A696 I697 I708 F713 F727 V731 G732 S734	A675-L710 HydrophobicContact CB-CB 4.08Å; A675-L710 HydrophobicContact CB-CD2 4.13Å; A675-L710 HydrophobicContact CB-CG 4.49Å; T693-L710 HydrophobicContact CG2-CD1 3.9Å; A696-L710 HydrophobicContact CB-CD2 3.89Å; I697-L710 HydrophobicContact CD1-CD1 4.48Å; I697-L710 HydrophobicContact CG1-CD1 4.45Å; I697-L710 HydrophobicContact CG1-CD2 4.12Å; I708-L710 HydrophobicContact CG2-CD2 4.13Å; L710-F713 VanDerWaalsContact C-CZ 3.46Å; L710-F713 HydrophobicContact CB-CE1 3.9Å; L710-F713 HydrophobicContact CB-CZ 3.68Å; L710-F713 VanDerWaalsContact O-CZ 3.24Å; L710-F713 WeakPolarHBondContact O-CZ 3.4Å; L710-F727 HydrophobicContact CD1-CE1 4.1Å; L710-F727 HydrophobicContact CD1-CZ 3.79Å; L710-V731 HydrophobicContact CD1-CG1 3.89Å; L710-V731 HydrophobicContact CG-CG1 4.03Å; L710-G732 PolarHBondContact N-O 2.78Å; L710-S734 WeakPolarHBondContact O-CB 3.48Å; L710-S734 PolarHBondContact O-N 3.36Å; L710-S734 PolarHBondContact O-OG 2.66Å
711	N	95.2	Very high	85.5	Confident	2 Å²	2	36.1 Å²	36.1	1%	0.011	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	176.8	-176.3	-163.8	15.1	0	0	0	111.5	T474 I672 H673 E674 A675 S734	T474-N711 VanDerWaalsContact CA-OD1 3.24Å; T474-N711 WeakPolarHBondContact CA-OD1 3.34Å; T474-N711 WeakPolarHBondContact CB-OD1 3.43Å; T474-N711 WeakPolarHBondContact CG2-OD1 3.33Å; I672-N711 HydrophobicContact CG2-CB 3.9Å; H673-N711 PolarHBondContact O-N 2.82Å; E674-N711 CarbonylContact C-O 3.56Å; E674-N711 WeakPolarHBondContact CA-O 3.47Å; A675-N711 PolarHBondContact N-O 2.96Å; N711-S734 WeakPolarHBondContact CA-OG 3.34Å; N711-S734 PolarHBondContact OD1-OG 2.95Å; N711-S734 VanDerWaalsContact OD1-OG 3.06Å
712	H	94.3	Very high	84.5	Confident	4 Å²	4	33.3 Å²	33.3	2%	0.019	15%	0.154	C	C	.	.			trans	60.5	48.5	172.3	-158.6	-113.8	0	0	0	114.1	T474 S476 D538 H539 D654 E674 T676	T474-H712 CarbonylContact O-C 3.3Å; T474-H712 VanDerWaalsContact O-CA 3.24Å; T474-H712 WeakPolarHBondContact O-CA 3.24Å; T474-H712 PolarHBondContact O-N 2.83Å; T474-H712 VanDerWaalsContact O-N 3.12Å; S476-H712 WeakPolarHBondContact CA-NE2 3.48Å; S476-H712 WeakPolarHBondContact CB-CE1 3.17Å; S476-H712 PolarHBondContact OG-CE1 2.91Å; D538-H712 IonicContact OD2-CE1 3.82Å; D538-H712 IonicContact OD2-NE2 3.63Å; D538-H712 PolarHBondContact OD2-NE2 3.18Å; H539-H712 AromaticContact CE1-CD2 3.88Å; H539-H712 AromaticContact CE1-CE1 3.78Å; H539-H712 AromaticContact CE1-NE2 3.36Å; H539-H712 PolarHBondContact CE1-NE2 3.07Å; H539-H712 AromaticContact NE2-CE1 3.61Å; H539-H712 AromaticContact NE2-NE2 3.28Å; H539-H712 PolarHBondContact NE2-NE2 3.33Å; D654-H712 VanDerWaalsContact CG-CE1 3.47Å; D654-H712 IonicContact OD1-CE1 2.8Å; D654-H712 PolarHBondContact OD1-CE1 2.98Å; D654-H712 IonicContact OD1-CG 2.67Å; D654-H712 IonicContact OD1-ND1 3.1Å; D654-H712 PolarHBondContact OD1-ND1 2.91Å; D654-H712 IonicContact OD1-NE2 3.88Å; D654-H712 IonicContact OD2-CE1 3.48Å; D654-H712 PolarHBondContact OD2-CE1 3.49Å; D654-H712 VanDerWaalsContact OD2-CE1 3.27Å; D654-H712 IonicContact OD2-ND1 3.56Å; E674-H712 HydrophobicContact CB-CB 3.92Å; T676-H712 VanDerWaalsContact CA-O 3.26Å; T676-H712 WeakPolarHBondContact CA-O 3.35Å; T676-H712 PolarHBondContact OG1-ND1 3.38Å; T676-H712 PolarHBondContact OG1-O 3.45Å
713	F	91.5	Very high	83.3	Confident	4 Å²	4	28.3 Å²	28.3	2%	0.018	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	141.4	-175.8	-55.8	-74	0	0	0	112.3	T474 G475 S476 A675 L710 Q715 P721 I733	T474-F713 PolarHBondContact O-N 3.35Å; G475-F713 WeakPolarHBondContact CA-O 3.46Å; S476-F713 PolarHBondContact N-O 3.05Å; A675-F713 HydrophobicContact CB-CD1 4.35Å; A675-F713 HydrophobicContact CB-CE1 4Å; A675-F713 WeakPolarHBondContact O-CD1 3.35Å; L710-F713 VanDerWaalsContact C-CZ 3.46Å; L710-F713 HydrophobicContact CB-CE1 3.9Å; L710-F713 HydrophobicContact CB-CZ 3.68Å; L710-F713 VanDerWaalsContact O-CZ 3.24Å; L710-F713 WeakPolarHBondContact O-CZ 3.4Å; F713-Q715 PolarHBondContact O-N 2.9Å; F713-Q715 VanDerWaalsContact O-N 3.15Å; F713-P721 HydrophobicContact CD1-CB 4.3Å; F713-P721 HydrophobicContact CD1-CG 4.2Å; F713-P721 HydrophobicContact CE1-CB 4.04Å; F713-P721 HydrophobicContact CE1-CG 3.63Å; F713-P721 HydrophobicContact CZ-CG 4.09Å; F713-I733 HydrophobicContact CE2-CG2 3.92Å; F713-I733 HydrophobicContact CZ-CG2 3.71Å
714	S	85.5	Confident	82	Confident	12 Å²	12	30 Å²	30	8%	0.084	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	116	175	-171.3	0	0	0	0	111.7	T676 R716 Y717 A718	T676-S714 WeakPolarHBondContact O-CA 3.42Å; T676-S714 WeakPolarHBondContact O-CB 3.18Å; T676-S714 PolarHBondContact O-N 2.92Å; S714-R716 PolarHBondContact O-N 3.2Å; S714-Y717 PolarHBondContact O-N 3.13Å; S714-Y717 VanDerWaalsContact OG-CD2 3.31Å; S714-Y717 WeakPolarHBondContact OG-CD2 3.47Å; S714-A718 PolarHBondContact O-N 2.84Å; S714-A718 VanDerWaalsContact O-N 3.12Å
715	Q	73.2	Confident	80.4	Confident	15 Å²	15	35.6 Å²	35.6	7%	0.07	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-12.9	-179.6	-47.9	-168.4	42.1	0	0	112.8	I478 M480 R483 F713	I478-Q715 PolarHBondContact O-NE2 2.8Å; I478-Q715 PolarHBondContact O-OE1 3.04Å; M480-Q715 HydrophobicContact CB-CB 4.29Å; M480-Q715 HydrophobicContact CE-CB 3.94Å; M480-Q715 WeakPolarHBondContact CE-O 3.4Å; M480-Q715 HydrophobicContact CG-CB 3.63Å; M480-Q715 HydrophobicContact CG-CG 4.39Å; M480-Q715 HydrophobicContact SD-CB 4.04Å; R483-Q715 HydrophobicContact CB-CG 4.5Å; R483-Q715 PolarHBondContact O-NE2 2.8Å; R483-Q715 PolarHBondContact O-OE1 2.87Å; F713-Q715 PolarHBondContact O-N 2.9Å; F713-Q715 VanDerWaalsContact O-N 3.15Å
716	R	65.5	Low	79.2	Confident	145 Å²	145	39.2 Å²	39.2	55%	0.547	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80	-24	178.1	-64.2	-174.3	-174.1	-146.9	-2.3	113.1	E111 S714	E111-R716 IonicContact OE1-CZ 2.92Å; E111-R716 IonicContact OE1-NH1 3.23Å; E111-R716 IonicContact OE1-NH2 3.63Å; E111-R716 PolarHBondContact OE1-NH2 2.9Å; E111-R716 IonicContact OE2-NH2 3.93Å; S714-R716 PolarHBondContact O-N 3.2Å
717	Y	59	Low	78.2	Confident	69 Å²	69	36.9 Å²	36.9	27%	0.271	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-119.2	-30.3	-170.2	-56.4	-72.8	0	0	0	112.9	L677 L681 Q684 K688 S714	L677-Y717 HydrophobicContact CD2-CD2 3.71Å; L677-Y717 HydrophobicContact CD2-CE2 3.77Å; L681-Y717 HydrophobicContact CD1-CD1 3.97Å; L681-Y717 HydrophobicContact CD1-CD2 4.06Å; L681-Y717 HydrophobicContact CD1-CE1 4.32Å; L681-Y717 HydrophobicContact CD1-CE2 4.44Å; L681-Y717 HydrophobicContact CD1-CG 3.83Å; Q684-Y717 PolarHBondContact OE1-OH 3.37Å; K688-Y717 PolarHBondContact NZ-OH 3.17Å; S714-Y717 PolarHBondContact O-N 3.13Å; S714-Y717 VanDerWaalsContact OG-CD2 3.31Å; S714-Y717 WeakPolarHBondContact OG-CD2 3.47Å
718	A	58	Low	77.5	Confident	14 Å²	14	38.9 Å²	38.9	12%	0.116	19%	0.187	C	C	.	.			trans	-145.6	134	-171.3	0	0	0	0	0	113	S714 M766	S714-A718 PolarHBondContact O-N 2.84Å; S714-A718 VanDerWaalsContact O-N 3.12Å; A718-M766 HydrophobicContact CB-CE 3.32Å; A718-M766 HydrophobicContact CB-SD 4.06Å
719	K	64.2	Low	77	Confident	85 Å²	85	45.4 Å²	45.4	37%	0.37	22%	0.222	S	C	.	.	S	Bend	trans	-82.8	-31.6	166.3	-75.9	166.2	174.7	174.4	0	111.2	R483 E762	R483-K719 PolarHBondContact NE-O 3.47Å; R483-K719 PolarHBondContact NH2-O 2.75Å; K719-E762 HydrophobicContact CB-CG 4.33Å; K719-E762 HydrophobicContact CD-CB 4.34Å; K719-E762 HydrophobicContact CD-CG 3.26Å; K719-E762 HydrophobicContact CG-CG 4.44Å; K719-E762 VanDerWaalsContact NZ-CG 3.32Å; K719-E762 IonicContact NZ-OE1 3.22Å; K719-E762 PolarHBondContact NZ-OE1 3.29Å
720	I	72.1	Confident	76.7	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	24%	0.238	C	C	.	.	S	Bend	trans	-140	143.4	174.2	-169.4	172.2	0	0	0	107.7	F723 I733 F735 L755 F759 L763 M766	I720-F723 HydrophobicContact CD1-CE2 3.93Å; I720-F723 HydrophobicContact CD1-CZ 3.72Å; I720-F723 HydrophobicContact CG1-CZ 4.43Å; I720-I733 HydrophobicContact CG1-CD1 4.31Å; I720-F735 HydrophobicContact CD1-CE1 4.44Å; I720-F735 HydrophobicContact CD1-CZ 3.84Å; I720-F735 HydrophobicContact CG1-CZ 4.17Å; I720-L755 HydrophobicContact CD1-CB 4.45Å; I720-F759 HydrophobicContact CD1-CD2 3.66Å; I720-F759 HydrophobicContact CD1-CE2 4.21Å; I720-F759 HydrophobicContact CD1-CG 4.36Å; I720-F759 HydrophobicContact CG2-CB 4.04Å; I720-F759 HydrophobicContact CG2-CG 4.37Å; I720-L763 HydrophobicContact CG2-CD2 3.71Å; I720-L763 HydrophobicContact CG2-CG 4.12Å; I720-M766 VanDerWaalsContact O-CE 3.32Å; I720-M766 WeakPolarHBondContact O-CE 3.48Å
721	P	70.6	Confident	76.5	Confident	4 Å²	4	49.4 Å²	49.4	3%	0.026	24%	0.239	C	C	.	.			trans	-63.5	146.4	175	27.5	-36.6	0	0	0	111.2	F713 F723 F727 I733	F713-P721 HydrophobicContact CD1-CB 4.3Å; F713-P721 HydrophobicContact CD1-CG 4.2Å; F713-P721 HydrophobicContact CE1-CB 4.04Å; F713-P721 HydrophobicContact CE1-CG 3.63Å; F713-P721 HydrophobicContact CZ-CG 4.09Å; P721-F723 PolarHBondContact O-N 3.1Å; P721-F727 HydrophobicContact CG-CZ 4.49Å; P721-I733 HydrophobicContact CG-CD1 3.6Å; P721-I733 HydrophobicContact CG-CG1 3.8Å; P721-I733 HydrophobicContact CG-CG2 3.96Å
722	L	74.4	Confident	76.4	Confident	25 Å²	25	49.6 Å²	49.6	13%	0.131	24%	0.242	C	C	.	.			trans	-63.4	133.4	168.6	-67.5	174.6	0	0	0	109.3	S724 L763 M766 E767	L722-S724 PolarHBondContact O-N 2.88Å; L722-L763 HydrophobicContact CD2-CD2 3.86Å; L722-M766 HydrophobicContact CD2-CB 4.32Å; L722-M766 HydrophobicContact CD2-CE 4.2Å; L722-M766 HydrophobicContact CG-CE 4.04Å; L722-E767 HydrophobicContact CD2-CG 4.2Å
723	F	71.8	Confident	76.3	Confident	36 Å²	36	50 Å²	50	16%	0.158	24%	0.244	C	C	.	.			trans	-79	106	178.6	-61.6	-90.3	0	0	0	109.2	I720 P721 F727 I733 T752 L755 K756 L763	I720-F723 HydrophobicContact CD1-CE2 3.93Å; I720-F723 HydrophobicContact CD1-CZ 3.72Å; I720-F723 HydrophobicContact CG1-CZ 4.43Å; P721-F723 PolarHBondContact O-N 3.1Å; F723-F727 HydrophobicContact CD1-CD1 4.05Å; F723-F727 HydrophobicContact CD1-CE1 4.1Å; F723-F727 HydrophobicContact CD1-CG 4.42Å; F723-F727 HydrophobicContact CD1-CZ 4.48Å; F723-I733 HydrophobicContact CD1-CD1 4.15Å; F723-I733 HydrophobicContact CE1-CD1 3.38Å; F723-I733 HydrophobicContact CZ-CD1 3.77Å; F723-T752 HydrophobicContact CD1-CG2 3.55Å; F723-T752 HydrophobicContact CE1-CG2 3.38Å; F723-T752 HydrophobicContact CG-CG2 4.38Å; F723-T752 HydrophobicContact CZ-CG2 4.09Å; F723-L755 HydrophobicContact CZ-CB 4.5Å; F723-K756 HydrophobicContact CD2-CD 4.02Å; F723-K756 HydrophobicContact CD2-CG 3.52Å; F723-K756 HydrophobicContact CE1-CG 4.49Å; F723-K756 HydrophobicContact CE2-CB 4.45Å; F723-K756 HydrophobicContact CE2-CD 4.27Å; F723-K756 HydrophobicContact CE2-CG 3.31Å; F723-K756 HydrophobicContact CG-CD 4.3Å; F723-K756 HydrophobicContact CG-CG 4.19Å; F723-K756 HydrophobicContact CZ-CG 3.84Å; F723-L763 HydrophobicContact CD2-CD1 4.45Å; F723-L763 HydrophobicContact CD2-CD2 4.46Å; F723-L763 HydrophobicContact CE2-CD1 4.21Å
724	S	69.3	Low	76.5	Confident	36 Å²	36	49.8 Å²	49.8	25%	0.252	24%	0.243	S	C	.	.			trans	-86.5	171	174.5	67.2	0	0	0	0	112.1	L722 D726 F727	L722-S724 PolarHBondContact O-N 2.88Å; S724-D726 PolarHBondContact O-N 2.74Å; S724-D726 PolarHBondContact OG-N 3.18Å; S724-F727 VanDerWaalsContact N-CD2 3.29Å; S724-F727 WeakPolarHBondContact O-CB 3.41Å; S724-F727 WeakPolarHBondContact O-CD2 3.14Å; S724-F727 PolarHBondContact O-N 3.17Å
725	E	64	Low	76.9	Confident	201 Å²	201	49.6 Å²	49.6	94%	0.939	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-18.4	173.2	-63.7	-176.7	175.2	0	0	112.9	F727	E725-F727 PolarHBondContact O-N 3.21Å
726	D	71.1	Confident	77.9	Confident	77 Å²	77	49.3 Å²	49.3	41%	0.412	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-10.7	178.2	-62	-40.9	0	0	0	113.2	S694 I697 S724 S728	S694-D726 VanDerWaalsContact CB-OD2 3.26Å; S694-D726 WeakPolarHBondContact CB-OD2 3.27Å; S694-D726 PolarHBondContact OG-OD2 2.75Å; I697-D726 HydrophobicContact CD1-CB 3.82Å; I697-D726 HydrophobicContact CG2-CB 4.31Å; S724-D726 PolarHBondContact O-N 2.74Å; S724-D726 PolarHBondContact OG-N 3.18Å; D726-S728 PolarHBondContact O-N 3.47Å
727	F	76.2	Confident	79.4	Confident	41 Å²	41	42.4 Å²	42.4	18%	0.18	21%	0.214	C	C	.	.			trans	-70.4	96.9	174.3	-80.6	-103.5	0	0	0	110	T693 I697 L710 P721 F723 S724 E725 V731 I733	T693-F727 HydrophobicContact CG2-CE2 3.82Å; T693-F727 HydrophobicContact CG2-CZ 4.07Å; I697-F727 HydrophobicContact CD1-CD2 4.33Å; I697-F727 HydrophobicContact CD1-CE2 4.3Å; L710-F727 HydrophobicContact CD1-CE1 4.1Å; L710-F727 HydrophobicContact CD1-CZ 3.79Å; P721-F727 HydrophobicContact CG-CZ 4.49Å; F723-F727 HydrophobicContact CD1-CD1 4.05Å; F723-F727 HydrophobicContact CD1-CE1 4.1Å; F723-F727 HydrophobicContact CD1-CG 4.42Å; F723-F727 HydrophobicContact CD1-CZ 4.48Å; S724-F727 VanDerWaalsContact N-CD2 3.29Å; S724-F727 WeakPolarHBondContact O-CB 3.41Å; S724-F727 WeakPolarHBondContact O-CD2 3.14Å; S724-F727 PolarHBondContact O-N 3.17Å; E725-F727 PolarHBondContact O-N 3.21Å; F727-V731 HydrophobicContact CD1-CB 4.36Å; F727-V731 HydrophobicContact CD1-CG1 3.9Å; F727-V731 HydrophobicContact CE1-CG1 3.95Å; F727-I733 HydrophobicContact CE1-CD1 3.79Å; F727-I733 HydrophobicContact CE1-CG1 3.81Å; F727-I733 HydrophobicContact CZ-CD1 4.3Å; F727-I733 HydrophobicContact CZ-CG1 4.41Å
728	S	82.4	Confident	81.1	Confident	45 Å²	45	39.3 Å²	39.3	32%	0.315	20%	0.202	S	C	.	.			trans	-97.1	177.9	173.9	64.6	0	0	0	0	111.9	M701 D726 K730 V731	M701-S728 WeakPolarHBondContact CE-OG 3.48Å; D726-S728 PolarHBondContact O-N 3.47Å; S728-K730 PolarHBondContact O-N 2.91Å; S728-K730 PolarHBondContact OG-N 3Å; S728-V731 PolarHBondContact O-N 2.8Å; S728-V731 VanDerWaalsContact O-N 3.09Å
729	D	85.4	Confident	82.9	Confident	138 Å²	138	40.6 Å²	40.6	74%	0.738	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-1.6	173.7	-59	-26.9	0	0	0	114.3	P749	D729-P749 WeakPolarHBondContact O-CG 3.23Å
730	K	90.6	Very high	84.3	Confident	81 Å²	81	36.7 Å²	36.7	35%	0.352	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.6	-0	177.3	-65.3	-170	172.3	-166.1	0	114.1	F707 I708 S728	F707-K730 WeakPolarHBondContact CD2-O 3.45Å; I708-K730 PolarHBondContact N-O 2.85Å; S728-K730 PolarHBondContact O-N 2.91Å; S728-K730 PolarHBondContact OG-N 3Å
731	V	93.3	Very high	85.2	Confident	3 Å²	3	37 Å²	37	2%	0.018	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	133.4	-173.6	-175.8	0	0	0	0	110.6	I697 M701 I708 L710 F727 S728	I697-V731 HydrophobicContact CD1-CG1 4.2Å; I697-V731 HydrophobicContact CD1-CG2 4.37Å; I697-V731 HydrophobicContact CG1-CG1 4.22Å; I697-V731 HydrophobicContact CG1-CG2 4.21Å; I697-V731 HydrophobicContact CG2-CG2 4.13Å; M701-V731 HydrophobicContact CE-CG2 4.48Å; I708-V731 HydrophobicContact CB-CG2 4.5Å; I708-V731 HydrophobicContact CD1-CG2 4.43Å; I708-V731 CarbonylContact O-C 3.58Å; I708-V731 WeakPolarHBondContact O-CA 3.44Å; L710-V731 HydrophobicContact CD1-CG1 3.89Å; L710-V731 HydrophobicContact CG-CG1 4.03Å; F727-V731 HydrophobicContact CD1-CB 4.36Å; F727-V731 HydrophobicContact CD1-CG1 3.9Å; F727-V731 HydrophobicContact CE1-CG1 3.95Å; S728-V731 PolarHBondContact O-N 2.8Å; S728-V731 VanDerWaalsContact O-N 3.09Å
732	G	92.8	Very high	86.1	Confident	6 Å²	6	38.9 Å²	38.9	6%	0.062	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	159.2	173.8	0	0	0	0	0	112.2	I708 L710	I708-G732 PolarHBondContact O-N 2.97Å; L710-G732 PolarHBondContact N-O 2.78Å
733	I	92.4	Very high	86.7	Confident	13 Å²	13	46.3 Å²	46.3	7%	0.067	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	128	177	-60.9	165.7	0	0	0	107.8	M709 F713 I720 P721 F723 F727 F735	M709-I733 VanDerWaalsContact SD-C 3.57Å; F713-I733 HydrophobicContact CE2-CG2 3.92Å; F713-I733 HydrophobicContact CZ-CG2 3.71Å; I720-I733 HydrophobicContact CG1-CD1 4.31Å; P721-I733 HydrophobicContact CG-CD1 3.6Å; P721-I733 HydrophobicContact CG-CG1 3.8Å; P721-I733 HydrophobicContact CG-CG2 3.96Å; F723-I733 HydrophobicContact CD1-CD1 4.15Å; F723-I733 HydrophobicContact CE1-CD1 3.38Å; F723-I733 HydrophobicContact CZ-CD1 3.77Å; F727-I733 HydrophobicContact CE1-CD1 3.79Å; F727-I733 HydrophobicContact CE1-CG1 3.81Å; F727-I733 HydrophobicContact CZ-CD1 4.3Å; F727-I733 HydrophobicContact CZ-CG1 4.41Å; I733-F735 HydrophobicContact CB-CE2 4.13Å; I733-F735 HydrophobicContact CG2-CD2 4.41Å; I733-F735 HydrophobicContact CG2-CE2 3.78Å; I733-F735 HydrophobicContact CG2-CZ 4.02Å
734	S	94.3	Very high	87.5	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	22%	0.221	C	C	.	.			trans	-80.5	146.6	175.1	59.7	0	0	0	0	112.2	R483 L710 N711	R483-S734 PolarHBondContact NH1-O 2.97Å; L710-S734 WeakPolarHBondContact O-CB 3.48Å; L710-S734 PolarHBondContact O-N 3.36Å; L710-S734 PolarHBondContact O-OG 2.66Å; N711-S734 WeakPolarHBondContact CA-OG 3.34Å; N711-S734 PolarHBondContact OD1-OG 2.95Å; N711-S734 VanDerWaalsContact OD1-OG 3.06Å
735	F	94.4	Very high	88.5	Confident	8 Å²	8	44.9 Å²	44.9	4%	0.035	21%	0.214	C	C	.	.			trans	-130	154.2	170.8	-66.2	-95.7	0	0	0	109.4	L378 F386 F471 I720 I733 H737 M738 L755 F759	L378-F735 HydrophobicContact CD1-CB 4.06Å; L378-F735 HydrophobicContact CD1-CD1 3.97Å; L378-F735 HydrophobicContact CD1-CG 4.03Å; F386-F735 HydrophobicContact CE1-CB 4.18Å; F386-F735 AromaticContact CE1-CD2 3.97Å; F386-F735 HydrophobicContact CE1-CD2 3.97Å; F386-F735 HydrophobicContact CE1-CG 4.31Å; F386-F735 HydrophobicContact CZ-CD2 4.27Å; F471-F735 WeakPolarHBondContact CB-O 3.36Å; I720-F735 HydrophobicContact CD1-CE1 4.44Å; I720-F735 HydrophobicContact CD1-CZ 3.84Å; I720-F735 HydrophobicContact CG1-CZ 4.17Å; I733-F735 HydrophobicContact CB-CE2 4.13Å; I733-F735 HydrophobicContact CG2-CD2 4.41Å; I733-F735 HydrophobicContact CG2-CE2 3.78Å; I733-F735 HydrophobicContact CG2-CZ 4.02Å; F735-H737 PolarHBondContact O-N 2.85Å; F735-M738 HydrophobicContact CB-CB 4.34Å; F735-M738 WeakPolarHBondContact O-CB 3.05Å; F735-M738 PolarHBondContact O-N 3.49Å; F735-M738 VanDerWaalsContact O-N 3.11Å; F735-L755 HydrophobicContact CE2-CD1 4.09Å; F735-L755 HydrophobicContact CE2-CD2 4.13Å; F735-L755 HydrophobicContact CZ-CD1 4.42Å; F735-L755 HydrophobicContact CZ-CD2 4Å; F735-F759 AromaticContact CE1-CE2 3.81Å; F735-F759 HydrophobicContact CE1-CE2 3.81Å; F735-F759 HydrophobicContact CE1-CZ 4.03Å; F735-F759 HydrophobicContact CZ-CE2 4.14Å
736	D	95.1	Very high	89.6	Confident	9 Å²	9	43.7 Å²	43.7	5%	0.048	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	140.3	171.6	-73.6	21.5	0	0	0	110.4	Q375 F471 G473 T474 R483 N484 Q511 M738	Q375-D736 PolarHBondContact OE1-O 3.47Å; F471-D736 CarbonylContact O-C 3.11Å; F471-D736 WeakPolarHBondContact O-CA 3.3Å; G473-D736 WeakPolarHBondContact CA-OD1 3.32Å; T474-D736 WeakPolarHBondContact CB-OD1 3.46Å; T474-D736 PolarHBondContact N-OD1 2.86Å; T474-D736 PolarHBondContact OG1-OD1 2.89Å; R483-D736 WeakPolarHBondContact CA-OD2 3.27Å; N484-D736 WeakPolarHBondContact CB-OD2 3.43Å; N484-D736 PolarHBondContact N-OD2 3.3Å; Q511-D736 PolarHBondContact NE2-OD2 3.07Å; D736-M738 PolarHBondContact O-N 3.1Å; D736-M738 VanDerWaalsContact O-N 3.12Å
737	H	95.9	Very high	90.5	Very high	0 Å²	0	41 Å²	41	0%	0	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	61	6.6	-175	-53.2	-77.4	0	0	0	116.5	L389 F471 Q511 H515 F735 K739	L389-H737 HydrophobicContact CD2-CB 3.81Å; L389-H737 WeakPolarHBondContact CD2-CD2 3.19Å; F471-H737 WeakPolarHBondContact O-CA 3.43Å; F471-H737 PolarHBondContact O-N 3.45Å; Q511-H737 PolarHBondContact NE2-NE2 2.91Å; Q511-H737 VanDerWaalsContact NE2-NE2 3.2Å; Q511-H737 PolarHBondContact O-CE1 2.91Å; Q511-H737 PolarHBondContact OE1-NE2 3.04Å; H515-H737 PolarHBondContact CE1-O 3.22Å; H515-H737 AromaticContact ND1-ND1 3.79Å; F735-H737 PolarHBondContact O-N 2.85Å; H737-K739 PolarHBondContact O-N 3.46Å
738	M	95.7	Very high	91.1	Very high	3 Å²	3	39.4 Å²	39.4	2%	0.015	19%	0.186	C	C	.	.			trans	-63.6	129.6	172.5	-170.9	-171	-169.3	0	0	110.1	I385 F386 V470 F471 M709 F735 D736 V740 L748	I385-M738 HydrophobicContact CG2-CE 3.68Å; I385-M738 HydrophobicContact CG2-CG 3.71Å; I385-M738 CarbonylContact O-C 3.57Å; I385-M738 WeakPolarHBondContact O-CA 3.45Å; F386-M738 HydrophobicContact CD1-CB 4.27Å; F386-M738 HydrophobicContact CD1-CG 4.13Å; F386-M738 HydrophobicContact CE1-CB 4.1Å; F386-M738 HydrophobicContact CE1-CE 4.31Å; F386-M738 HydrophobicContact CE1-CG 3.7Å; F386-M738 HydrophobicContact CE1-SD 4.21Å; F386-M738 HydrophobicContact CZ-CE 4.21Å; F386-M738 HydrophobicContact CZ-CG 4.45Å; V470-M738 WeakPolarHBondContact CA-O 3.24Å; F471-M738 HydrophobicContact CD2-CB 4.14Å; F471-M738 HydrophobicContact CD2-CG 4.48Å; F471-M738 HydrophobicContact CD2-SD 4.35Å; F471-M738 PolarHBondContact N-O 2.76Å; M709-M738 HydrophobicContact CE-CE 4.32Å; F735-M738 HydrophobicContact CB-CB 4.34Å; F735-M738 WeakPolarHBondContact O-CB 3.05Å; F735-M738 PolarHBondContact O-N 3.49Å; F735-M738 VanDerWaalsContact O-N 3.11Å; D736-M738 PolarHBondContact O-N 3.1Å; D736-M738 VanDerWaalsContact O-N 3.12Å; M738-V740 HydrophobicContact CE-CG2 3.6Å; M738-V740 HydrophobicContact CG-CG2 3.78Å; M738-V740 HydrophobicContact SD-CG2 3.9Å; M738-L748 HydrophobicContact CE-CD1 4.45Å; M738-L748 HydrophobicContact CE-CD2 3.23Å; M738-L748 HydrophobicContact CE-CG 4.46Å
739	K	95.2	Very high	91.4	Very high	41 Å²	41	38.2 Å²	38.2	18%	0.178	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	120.2	176.5	-179.6	-174.7	176	-168.9	0	108.9	I385 H468 V469 V470 H737	I385-K739 WeakPolarHBondContact CA-O 3.49Å; I385-K739 PolarHBondContact O-N 3.05Å; H468-K739 VanDerWaalsContact CD2-CE 3.43Å; H468-K739 WeakPolarHBondContact CD2-CE 3.42Å; V469-K739 CarbonylContact O-C 3.49Å; V469-K739 WeakPolarHBondContact O-CA 3.5Å; V470-K739 HydrophobicContact CG2-CB 4.43Å; V470-K739 HydrophobicContact CG2-CG 4.22Å; H737-K739 PolarHBondContact O-N 3.46Å
740	V	93.6	Very high	91.5	Very high	3 Å²	3	36.1 Å²	36.1	2%	0.018	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	129.6	-175.5	-178.1	0	0	0	0	110.4	I385 H468 V469 F471 M709 M738 D744 F745 L748	I385-V740 HydrophobicContact CG2-CG2 4.46Å; H468-V740 CarbonylContact C-O 3.54Å; H468-V740 VanDerWaalsContact CA-O 3.24Å; H468-V740 WeakPolarHBondContact CA-O 3.29Å; H468-V740 WeakPolarHBondContact CB-O 3.2Å; V469-V740 PolarHBondContact N-O 2.9Å; V469-V740 PolarHBondContact O-N 3.4Å; F471-V740 HydrophobicContact CE2-CG2 4.24Å; M709-V740 HydrophobicContact CE-CG1 4.42Å; M709-V740 HydrophobicContact CE-CG2 4.14Å; M738-V740 HydrophobicContact CE-CG2 3.6Å; M738-V740 HydrophobicContact CG-CG2 3.78Å; M738-V740 HydrophobicContact SD-CG2 3.9Å; V740-D744 HydrophobicContact CG1-CB 4.12Å; V740-F745 HydrophobicContact CG1-CD1 4.43Å; V740-F745 HydrophobicContact CG1-CE1 4.3Å; V740-L748 HydrophobicContact CG1-CD1 3.79Å; V740-L748 HydrophobicContact CG2-CD1 4.42Å; V740-L748 HydrophobicContact CG2-CD2 4.41Å
741	S	91.7	Very high	91.5	Very high	7 Å²	7	32.3 Å²	32.3	5%	0.049	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	164.1	165.1	78.8	0	0	0	0	110.6	G465 R743 D744	G465-S741 WeakPolarHBondContact O-CB 3.2Å; S741-R743 PolarHBondContact O-N 2.84Å; S741-R743 VanDerWaalsContact O-N 3.11Å; S741-R743 PolarHBondContact OG-N 3.32Å; S741-D744 WeakPolarHBondContact CA-OD2 3.36Å; S741-D744 WeakPolarHBondContact CB-OD2 3.45Å; S741-D744 PolarHBondContact N-OD2 3.17Å; S741-D744 WeakPolarHBondContact O-CB 2.98Å; S741-D744 PolarHBondContact O-N 3.22Å; S741-D744 PolarHBondContact OG-OD2 2.97Å
742	F	89.1	Confident	91.3	Very high	43 Å²	43	33.8 Å²	33.8	19%	0.189	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-64.3	-17.2	177.4	-59.8	-15.8	0	0	0	113.6	P467 W647 T669 L670 D744 F745	P467-F742 HydrophobicContact CG-CD2 3.73Å; P467-F742 HydrophobicContact CG-CE1 4.12Å; P467-F742 HydrophobicContact CG-CE2 3.21Å; P467-F742 HydrophobicContact CG-CG 4.37Å; P467-F742 HydrophobicContact CG-CZ 3.45Å; P467-F742 VanDerWaalsContact CG-CZ 3.45Å; W647-F742 HydrophobicContact CB-CD2 4.48Å; W647-F742 HydrophobicContact CB-CE2 3.73Å; W647-F742 AromaticContact CD2-CE2 3.75Å; W647-F742 HydrophobicContact CD2-CE2 3.75Å; W647-F742 HydrophobicContact CD2-CZ 4.1Å; W647-F742 HydrophobicContact CE3-CE2 4.06Å; W647-F742 AromaticContact CE3-CZ 3.95Å; W647-F742 HydrophobicContact CE3-CZ 3.95Å; W647-F742 AromaticContact CG-CE2 3.61Å; W647-F742 HydrophobicContact CG-CE2 3.61Å; W647-F742 HydrophobicContact CG-CZ 4.4Å; W647-F742 HydrophobicContact CZ3-CZ 4.5Å; T669-F742 HydrophobicContact CG2-CD2 3.97Å; T669-F742 HydrophobicContact CG2-CE2 4.03Å; T669-F742 HydrophobicContact CG2-CG 4.36Å; T669-F742 HydrophobicContact CG2-CZ 4.48Å; L670-F742 HydrophobicContact CB-CE1 4.07Å; L670-F742 HydrophobicContact CD2-CE1 4.07Å; F742-D744 VanDerWaalsContact C-N 3.27Å; F742-F745 HydrophobicContact CB-CD2 4.49Å; F742-F745 HydrophobicContact CB-CE2 3.97Å; F742-F745 HydrophobicContact CB-CZ 4.05Å; F742-F745 AromaticContact CD1-CE1 3.96Å; F742-F745 HydrophobicContact CD1-CE1 3.96Å; F742-F745 AromaticContact CD1-CE2 3.96Å; F742-F745 HydrophobicContact CD1-CE2 3.96Å; F742-F745 AromaticContact CD1-CZ 3.3Å; F742-F745 HydrophobicContact CD1-CZ 3.3Å; F742-F745 HydrophobicContact CE1-CZ 4Å; F742-F745 HydrophobicContact CG-CE2 4.13Å; F742-F745 AromaticContact CG-CZ 3.92Å; F742-F745 HydrophobicContact CG-CZ 3.92Å; F742-F745 WeakPolarHBondContact O-CD2 3.45Å; F742-F745 WeakPolarHBondContact O-CG 3.42Å
743	R	86.1	Confident	91	Very high	182 Å²	182	35.4 Å²	35.4	69%	0.687	17%	0.166	S	C	*	.	G	3₁₀ helix	trans	-72.9	-24.4	174.4	-61	-179.9	178.7	175.3	-0.1	112	S741 F745	S741-R743 PolarHBondContact O-N 2.84Å; S741-R743 VanDerWaalsContact O-N 3.11Å; S741-R743 PolarHBondContact OG-N 3.32Å; R743-F745 VanDerWaalsContact C-N 3.29Å; R743-F745 PolarHBondContact O-N 3.03Å
744	D	89.1	Confident	91	Very high	17 Å²	17	34.8 Å²	34.8	9%	0.091	16%	0.163	C	C	.	.	G	3₁₀ helix	trans	-80.7	-8.8	-175.5	-57.5	-55.9	0	0	0	112.7	I385 V740 S741 F742 K746 T747 L748	I385-D744 HydrophobicContact CD1-CB 4.17Å; V740-D744 HydrophobicContact CG1-CB 4.12Å; S741-D744 WeakPolarHBondContact CA-OD2 3.36Å; S741-D744 WeakPolarHBondContact CB-OD2 3.45Å; S741-D744 PolarHBondContact N-OD2 3.17Å; S741-D744 WeakPolarHBondContact O-CB 2.98Å; S741-D744 PolarHBondContact O-N 3.22Å; S741-D744 PolarHBondContact OG-OD2 2.97Å; F742-D744 VanDerWaalsContact C-N 3.27Å; D744-K746 PolarHBondContact O-N 3.05Å; D744-K746 VanDerWaalsContact O-N 3.15Å; D744-T747 WeakPolarHBondContact O-CA 3.45Å; D744-T747 WeakPolarHBondContact O-CB 3.47Å; D744-T747 PolarHBondContact O-N 3.18Å; D744-L748 WeakPolarHBondContact O-CG 3.47Å; D744-L748 PolarHBondContact O-N 3.33Å
745	F	89.8	Confident	90.8	Very high	25 Å²	25	35.2 Å²	35.2	11%	0.11	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-55.1	-36.3	-177.7	-67.4	-11.4	0	0	0	113.5	T669 L670 F707 V740 F742 R743 T747 P749	T669-F745 HydrophobicContact CG2-CE2 4.28Å; T669-F745 WeakPolarHBondContact O-CE2 3.42Å; L670-F745 HydrophobicContact CB-CZ 4.06Å; L670-F745 HydrophobicContact CD1-CE1 4Å; L670-F745 HydrophobicContact CD1-CZ 3.92Å; L670-F745 HydrophobicContact CG-CZ 4.38Å; F707-F745 HydrophobicContact CB-CB 4.42Å; F707-F745 HydrophobicContact CB-CD1 4.04Å; F707-F745 HydrophobicContact CB-CD2 3.57Å; F707-F745 HydrophobicContact CB-CE1 4.13Å; F707-F745 HydrophobicContact CB-CE2 3.67Å; F707-F745 HydrophobicContact CB-CG 3.77Å; F707-F745 HydrophobicContact CB-CZ 3.94Å; F707-F745 AromaticContact CD1-CD1 3.75Å; F707-F745 HydrophobicContact CD1-CD1 3.75Å; F707-F745 AromaticContact CD1-CE1 3.96Å; F707-F745 HydrophobicContact CD1-CE1 3.96Å; F707-F745 HydrophobicContact CD1-CG 4.19Å; F707-F745 HydrophobicContact CD2-CB 3.62Å; F707-F745 HydrophobicContact CD2-CD1 4.17Å; F707-F745 HydrophobicContact CD2-CD2 4.36Å; F707-F745 AromaticContact CD2-CG 3.82Å; F707-F745 HydrophobicContact CD2-CG 3.82Å; F707-F745 HydrophobicContact CE1-CD1 4.27Å; F707-F745 HydrophobicContact CE2-CB 4.03Å; F707-F745 HydrophobicContact CE2-CG 4.5Å; F707-F745 VanDerWaalsContact CE2-O 3.25Å; F707-F745 WeakPolarHBondContact CE2-O 3.22Å; F707-F745 HydrophobicContact CG-CB 4Å; F707-F745 AromaticContact CG-CD1 3.7Å; F707-F745 HydrophobicContact CG-CD1 3.7Å; F707-F745 HydrophobicContact CG-CD2 4.01Å; F707-F745 HydrophobicContact CG-CE1 4.11Å; F707-F745 HydrophobicContact CG-CE2 4.39Å; F707-F745 AromaticContact CG-CG 3.64Å; F707-F745 HydrophobicContact CG-CG 3.64Å; F707-F745 HydrophobicContact CG-CZ 4.43Å; V740-F745 HydrophobicContact CG1-CD1 4.43Å; V740-F745 HydrophobicContact CG1-CE1 4.3Å; F742-F745 HydrophobicContact CB-CD2 4.49Å; F742-F745 HydrophobicContact CB-CE2 3.97Å; F742-F745 HydrophobicContact CB-CZ 4.05Å; F742-F745 AromaticContact CD1-CE1 3.96Å; F742-F745 HydrophobicContact CD1-CE1 3.96Å; F742-F745 AromaticContact CD1-CE2 3.96Å; F742-F745 HydrophobicContact CD1-CE2 3.96Å; F742-F745 AromaticContact CD1-CZ 3.3Å; F742-F745 HydrophobicContact CD1-CZ 3.3Å; F742-F745 HydrophobicContact CE1-CZ 4Å; F742-F745 HydrophobicContact CG-CE2 4.13Å; F742-F745 AromaticContact CG-CZ 3.92Å; F742-F745 HydrophobicContact CG-CZ 3.92Å; F742-F745 WeakPolarHBondContact O-CD2 3.45Å; F742-F745 WeakPolarHBondContact O-CG 3.42Å; R743-F745 VanDerWaalsContact C-N 3.29Å; R743-F745 PolarHBondContact O-N 3.03Å; F745-T747 VanDerWaalsContact C-N 3.28Å; F745-T747 PolarHBondContact O-N 2.89Å; F745-P749 WeakPolarHBondContact O-CD 3.31Å
746	K	87.3	Confident	90.6	Very high	175 Å²	175	39.1 Å²	39.1	76%	0.761	18%	0.182	S	C	*	.	G	3₁₀ helix	trans	-76	-18.3	176.6	-63.7	-176.3	179.6	-178.5	0	113.4	D744 K750	D744-K746 PolarHBondContact O-N 3.05Å; D744-K746 VanDerWaalsContact O-N 3.15Å; K746-K750 WeakPolarHBondContact O-CE 3.35Å
747	T	89.5	Confident	90.3	Very high	20 Å²	20	40 Å²	40	12%	0.123	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-37.8	-178.9	-54.3	0	0	0	0	110.8	I385 S456 D744 F745 K750 L751	I385-T747 HydrophobicContact CD1-CG2 4.28Å; S456-T747 WeakPolarHBondContact OG-CG2 3.43Å; D744-T747 WeakPolarHBondContact O-CA 3.45Å; D744-T747 WeakPolarHBondContact O-CB 3.47Å; D744-T747 PolarHBondContact O-N 3.18Å; F745-T747 VanDerWaalsContact C-N 3.28Å; F745-T747 PolarHBondContact O-N 2.89Å; T747-K750 VanDerWaalsContact O-CB 3.29Å; T747-K750 WeakPolarHBondContact O-CB 3.35Å; T747-K750 PolarHBondContact O-N 2.86Å; T747-L751 HydrophobicContact CG2-CD2 4.25Å; T747-L751 PolarHBondContact O-N 3.46Å
748	L	90.1	Very high	90.1	Very high	9 Å²	9	40.4 Å²	40.4	5%	0.047	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-55	-49.2	-174.1	-70.9	177.5	0	0	0	114.9	I385 F707 M709 M738 V740 D744 K750 L751	I385-L748 HydrophobicContact CD1-CD2 3.95Å; I385-L748 HydrophobicContact CG2-CD2 4.24Å; F707-L748 HydrophobicContact CE1-CD1 3.54Å; F707-L748 HydrophobicContact CZ-CB 3.82Å; F707-L748 HydrophobicContact CZ-CD1 3.63Å; F707-L748 HydrophobicContact CZ-CG 4.37Å; M709-L748 HydrophobicContact CE-CD1 3.61Å; M738-L748 HydrophobicContact CE-CD1 4.45Å; M738-L748 HydrophobicContact CE-CD2 3.23Å; M738-L748 HydrophobicContact CE-CG 4.46Å; V740-L748 HydrophobicContact CG1-CD1 3.79Å; V740-L748 HydrophobicContact CG2-CD1 4.42Å; V740-L748 HydrophobicContact CG2-CD2 4.41Å; D744-L748 WeakPolarHBondContact O-CG 3.47Å; D744-L748 PolarHBondContact O-N 3.33Å; L748-K750 PolarHBondContact O-N 3.09Å; L748-L751 HydrophobicContact CD2-CD1 4.31Å; L748-L751 WeakPolarHBondContact O-CB 3.44Å; L748-L751 PolarHBondContact O-N 2.97Å; L748-L751 VanDerWaalsContact O-N 3.11Å
749	P	88.1	Confident	89.7	Confident	20 Å²	20	40.8 Å²	40.8	13%	0.13	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-61	-32.2	178.1	-21.7	31.4	0	0	0	112.7	F707 D729 F745 L751 T752	F707-P749 HydrophobicContact CE2-CG 4.26Å; D729-P749 WeakPolarHBondContact O-CG 3.23Å; F745-P749 WeakPolarHBondContact O-CD 3.31Å; P749-L751 PolarHBondContact O-N 2.85Å; P749-T752 WeakPolarHBondContact O-CB 3.2Å; P749-T752 PolarHBondContact O-N 3.48Å; P749-T752 VanDerWaalsContact O-N 3.16Å; P749-T752 PolarHBondContact O-OG1 3.12Å
750	K	88.6	Confident	89.3	Confident	93 Å²	93	40.4 Å²	40.4	40%	0.404	20%	0.197	S	C	.	.	G	3₁₀ helix	trans	-66.5	-24.1	179.6	-55.3	178.1	176.9	179.2	0	112.5	C452 A455 K746 T747 L748 T752	C452-K750 PolarHBondContact SG-O 2.86Å; A455-K750 HydrophobicContact CB-CD 4.02Å; A455-K750 PolarHBondContact O-NZ 3.3Å; K746-K750 WeakPolarHBondContact O-CE 3.35Å; T747-K750 VanDerWaalsContact O-CB 3.29Å; T747-K750 WeakPolarHBondContact O-CB 3.35Å; T747-K750 PolarHBondContact O-N 2.86Å; L748-K750 PolarHBondContact O-N 3.09Å; K750-T752 PolarHBondContact O-N 3.37Å
751	L	90.1	Very high	88.9	Confident	2 Å²	2	47.4 Å²	47.4	1%	0.01	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-74.5	-14.3	178.1	-50.7	-174.8	0	0	0	112.8	I381 H382 I385 F386 C452 T747 L748 P749 A753 A754 L755	I381-L751 HydrophobicContact CG2-CB 4.35Å; I381-L751 HydrophobicContact CG2-CD2 4.06Å; H382-L751 HydrophobicContact CB-CD1 4.2Å; H382-L751 HydrophobicContact CB-CD2 4.32Å; I385-L751 HydrophobicContact CD1-CD1 3.96Å; F386-L751 HydrophobicContact CE2-CD1 3.99Å; C452-L751 HydrophobicContact CB-CD2 4.14Å; T747-L751 HydrophobicContact CG2-CD2 4.25Å; T747-L751 PolarHBondContact O-N 3.46Å; L748-L751 HydrophobicContact CD2-CD1 4.31Å; L748-L751 WeakPolarHBondContact O-CB 3.44Å; L748-L751 PolarHBondContact O-N 2.97Å; L748-L751 VanDerWaalsContact O-N 3.11Å; P749-L751 PolarHBondContact O-N 2.85Å; L751-A753 VanDerWaalsContact C-N 3.29Å; L751-A753 PolarHBondContact O-N 2.68Å; L751-A754 PolarHBondContact O-N 3.06Å; L751-L755 HydrophobicContact CB-CD1 4.24Å; L751-L755 WeakPolarHBondContact O-CG 3.47Å; L751-L755 PolarHBondContact O-N 2.81Å
752	T	87.7	Confident	88.5	Confident	33 Å²	33	49 Å²	49	20%	0.202	24%	0.236	C	C	.	.	H	α-helix	trans	-55.3	-40.9	-174.9	-62.4	0	0	0	0	113	F723 P749 K750 L755 K756	F723-T752 HydrophobicContact CD1-CG2 3.55Å; F723-T752 HydrophobicContact CE1-CG2 3.38Å; F723-T752 HydrophobicContact CG-CG2 4.38Å; F723-T752 HydrophobicContact CZ-CG2 4.09Å; P749-T752 WeakPolarHBondContact O-CB 3.2Å; P749-T752 PolarHBondContact O-N 3.48Å; P749-T752 VanDerWaalsContact O-N 3.16Å; P749-T752 PolarHBondContact O-OG1 3.12Å; K750-T752 PolarHBondContact O-N 3.37Å; T752-L755 PolarHBondContact O-N 3.28Å; T752-K756 HydrophobicContact CG2-CD 4.17Å; T752-K756 HydrophobicContact CG2-CG 4.39Å; T752-K756 WeakPolarHBondContact O-CB 3.37Å; T752-K756 WeakPolarHBondContact O-CG 3.42Å; T752-K756 PolarHBondContact O-N 2.89Å
753	A	88.4	Confident	88.2	Confident	40 Å²	40	47.9 Å²	47.9	33%	0.331	23%	0.232	S	C	.	.	H	α-helix	trans	-64	-48.7	-179.1	0	0	0	0	0	111.6	E448 L751 L755 K756 T757	E448-A753 WeakPolarHBondContact OE2-CB 3.45Å; L751-A753 VanDerWaalsContact C-N 3.29Å; L751-A753 PolarHBondContact O-N 2.68Å; A753-L755 VanDerWaalsContact C-N 3.32Å; A753-L755 PolarHBondContact O-N 3.03Å; A753-K756 PolarHBondContact O-N 3.09Å; A753-T757 PolarHBondContact O-N 3.36Å; A753-T757 VanDerWaalsContact O-N 3.11Å; A753-T757 PolarHBondContact O-OG1 3.42Å; A753-T757 VanDerWaalsContact O-OG1 3.12Å
754	A	91.3	Very high	88.1	Confident	0 Å²	0	45 Å²	45	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-64	-36.7	176.4	0	0	0	0	0	112.5	I381 E448 V449 L751 T757 L758	I381-A754 HydrophobicContact CD1-CB 4.04Å; I381-A754 HydrophobicContact CG1-CB 4.11Å; I381-A754 HydrophobicContact CG2-CB 3.88Å; E448-A754 HydrophobicContact CB-CB 4.1Å; V449-A754 HydrophobicContact CG2-CB 4.42Å; L751-A754 PolarHBondContact O-N 3.06Å; A754-T757 PolarHBondContact O-N 3.1Å; A754-L758 WeakPolarHBondContact O-CB 3.45Å; A754-L758 PolarHBondContact O-N 3.14Å
755	L	90.5	Very high	87.8	Confident	9 Å²	9	50.1 Å²	50.1	5%	0.047	25%	0.25	C	C	.	.	H	α-helix	trans	-65.1	-43.5	175.1	-70.1	169.7	0	0	0	112	L378 I381 I720 F723 F735 L751 T752 A753 T757 L758 F759	L378-L755 HydrophobicContact CD2-CD2 3.43Å; L378-L755 VanDerWaalsContact CD2-CD2 3.43Å; I381-L755 HydrophobicContact CD1-CD2 3.76Å; I381-L755 HydrophobicContact CD1-CG 4.22Å; I720-L755 HydrophobicContact CD1-CB 4.45Å; F723-L755 HydrophobicContact CZ-CB 4.5Å; F735-L755 HydrophobicContact CE2-CD1 4.09Å; F735-L755 HydrophobicContact CE2-CD2 4.13Å; F735-L755 HydrophobicContact CZ-CD1 4.42Å; F735-L755 HydrophobicContact CZ-CD2 4Å; L751-L755 HydrophobicContact CB-CD1 4.24Å; L751-L755 WeakPolarHBondContact O-CG 3.47Å; L751-L755 PolarHBondContact O-N 2.81Å; T752-L755 PolarHBondContact O-N 3.28Å; A753-L755 VanDerWaalsContact C-N 3.32Å; A753-L755 PolarHBondContact O-N 3.03Å; L755-T757 VanDerWaalsContact C-N 3.29Å; L755-T757 PolarHBondContact O-N 3.25Å; L755-L758 PolarHBondContact O-N 3.03Å; L755-F759 HydrophobicContact CD2-CE2 4.15Å; L755-F759 VanDerWaalsContact O-CD2 3.26Å; L755-F759 WeakPolarHBondContact O-CD2 3.42Å; L755-F759 PolarHBondContact O-N 3.21Å
756	K	89	Confident	87.2	Confident	90 Å²	90	49.7 Å²	49.7	39%	0.391	25%	0.248	S	C	.	.	H	α-helix	trans	-58	-44	175.3	-79.3	177.8	175.2	-173.4	0	111.5	F723 T752 A753 F759 A760 L763	F723-K756 HydrophobicContact CD2-CD 4.02Å; F723-K756 HydrophobicContact CD2-CG 3.52Å; F723-K756 HydrophobicContact CE1-CG 4.49Å; F723-K756 HydrophobicContact CE2-CB 4.45Å; F723-K756 HydrophobicContact CE2-CD 4.27Å; F723-K756 HydrophobicContact CE2-CG 3.31Å; F723-K756 HydrophobicContact CG-CD 4.3Å; F723-K756 HydrophobicContact CG-CG 4.19Å; F723-K756 HydrophobicContact CZ-CG 3.84Å; T752-K756 HydrophobicContact CG2-CD 4.17Å; T752-K756 HydrophobicContact CG2-CG 4.39Å; T752-K756 WeakPolarHBondContact O-CB 3.37Å; T752-K756 WeakPolarHBondContact O-CG 3.42Å; T752-K756 PolarHBondContact O-N 2.89Å; A753-K756 PolarHBondContact O-N 3.09Å; K756-F759 CarbonylContact O-C 3.48Å; K756-A760 WeakPolarHBondContact O-CA 3.44Å; K756-A760 PolarHBondContact O-N 3.31Å; K756-L763 HydrophobicContact CB-CD1 4.39Å; K756-L763 HydrophobicContact CG-CD1 4.34Å
757	T	90.6	Very high	86.9	Confident	28 Å²	28	46 Å²	46	17%	0.172	23%	0.233	C	C	.	.	H	α-helix	trans	-66.5	-43.5	178.2	-52.5	0	0	0	0	111.9	I442 P443 F445 A753 A754 L755 F759 A760	I442-T757 HydrophobicContact CG2-CG2 3.97Å; I442-T757 WeakPolarHBondContact CG2-O 3.21Å; P443-T757 WeakPolarHBondContact O-CG2 3.42Å; F445-T757 HydrophobicContact CB-CG2 3.9Å; F445-T757 HydrophobicContact CD2-CG2 4.48Å; A753-T757 PolarHBondContact O-N 3.36Å; A753-T757 VanDerWaalsContact O-N 3.11Å; A753-T757 PolarHBondContact O-OG1 3.42Å; A753-T757 VanDerWaalsContact O-OG1 3.12Å; A754-T757 PolarHBondContact O-N 3.1Å; L755-T757 VanDerWaalsContact C-N 3.29Å; L755-T757 PolarHBondContact O-N 3.25Å; T757-F759 VanDerWaalsContact C-N 3.28Å; T757-F759 PolarHBondContact O-N 3.27Å; T757-A760 WeakPolarHBondContact O-CB 3.39Å; T757-A760 PolarHBondContact O-N 3.28Å
758	L	90.1	Very high	86.6	Confident	8 Å²	8	50.8 Å²	50.8	4%	0.042	26%	0.255	C	S	.	.	H	α-helix	trans	-61.6	-36.1	179.4	-179.3	59.7	0	0	0	112.9	Q377 L378 I381 A439 I442 F445 A754 L755	Q377-L758 HydrophobicContact CB-CD1 3.89Å; Q377-L758 HydrophobicContact CB-CD2 3.96Å; Q377-L758 HydrophobicContact CG-CD1 4.45Å; L378-L758 HydrophobicContact CD2-CD2 4.02Å; L378-L758 HydrophobicContact CG-CD2 4.5Å; I381-L758 HydrophobicContact CD1-CD2 4.05Å; A439-L758 HydrophobicContact CB-CD1 4.34Å; I442-L758 HydrophobicContact CD1-CD1 3.77Å; F445-L758 HydrophobicContact CD2-CB 4.12Å; F445-L758 HydrophobicContact CE2-CB 3.78Å; F445-L758 HydrophobicContact CE2-CD1 4.13Å; F445-L758 HydrophobicContact CE2-CD2 4.47Å; F445-L758 HydrophobicContact CE2-CG 4.34Å; F445-L758 HydrophobicContact CZ-CD1 4.2Å; A754-L758 WeakPolarHBondContact O-CB 3.45Å; A754-L758 PolarHBondContact O-N 3.14Å; L755-L758 PolarHBondContact O-N 3.03Å
759	F	88.6	Confident	86	Confident	11 Å²	11	55.2 Å²	55.2	5%	0.048	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.6	25.2	-178.5	-62.2	-70.2	0	0	0	112.7	I374 L378 I720 F735 L755 K756 T757 E761 E762 L763	I374-F759 HydrophobicContact CG2-CZ 4.36Å; L378-F759 HydrophobicContact CD2-CE2 4.19Å; L378-F759 HydrophobicContact CD2-CZ 4.38Å; I720-F759 HydrophobicContact CD1-CD2 3.66Å; I720-F759 HydrophobicContact CD1-CE2 4.21Å; I720-F759 HydrophobicContact CD1-CG 4.36Å; I720-F759 HydrophobicContact CG2-CB 4.04Å; I720-F759 HydrophobicContact CG2-CG 4.37Å; F735-F759 AromaticContact CE1-CE2 3.81Å; F735-F759 HydrophobicContact CE1-CE2 3.81Å; F735-F759 HydrophobicContact CE1-CZ 4.03Å; F735-F759 HydrophobicContact CZ-CE2 4.14Å; L755-F759 HydrophobicContact CD2-CE2 4.15Å; L755-F759 VanDerWaalsContact O-CD2 3.26Å; L755-F759 WeakPolarHBondContact O-CD2 3.42Å; L755-F759 PolarHBondContact O-N 3.21Å; K756-F759 CarbonylContact O-C 3.48Å; T757-F759 VanDerWaalsContact C-N 3.28Å; T757-F759 PolarHBondContact O-N 3.27Å; F759-E761 PolarHBondContact O-N 3.14Å; F759-E762 HydrophobicContact CB-CB 4.38Å; F759-E762 WeakPolarHBondContact O-CB 3.37Å; F759-E762 PolarHBondContact O-N 2.89Å; F759-L763 WeakPolarHBondContact O-CB 3.32Å; F759-L763 VanDerWaalsContact O-CG 3.26Å; F759-L763 WeakPolarHBondContact O-CG 3.47Å; F759-L763 PolarHBondContact O-N 3.27Å
760	A	86.9	Confident	85.3	Confident	34 Å²	34	59.2 Å²	59.2	28%	0.281	29%	0.287	S	S	.	.	H	α-helix	trans	-59.9	-46.2	-174.3	0	0	0	0	0	112.4	K756 T757 E762 L763 E764	K756-A760 WeakPolarHBondContact O-CA 3.44Å; K756-A760 PolarHBondContact O-N 3.31Å; T757-A760 WeakPolarHBondContact O-CB 3.39Å; T757-A760 PolarHBondContact O-N 3.28Å; A760-E762 VanDerWaalsContact C-N 3.34Å; A760-E762 PolarHBondContact O-N 3.29Å; A760-L763 PolarHBondContact O-N 3.17Å; A760-E764 WeakPolarHBondContact O-CG 3.32Å; A760-E764 PolarHBondContact O-N 3.29Å
761	E	84.8	Confident	84.8	Confident	150 Å²	150	60.6 Å²	60.6	70%	0.701	30%	0.295	S	S	*	.	H	α-helix	trans	-60	-44	177.4	-64.9	-174.5	170.9	0	0	111.6	F759 E764 E765	F759-E761 PolarHBondContact O-N 3.14Å; E761-E764 PolarHBondContact O-N 3Å; E761-E765 WeakPolarHBondContact O-CG 3.45Å; E761-E765 PolarHBondContact O-N 3.1Å
762	E	83	Confident	84.3	Confident	40 Å²	40	64 Å²	64	19%	0.187	31%	0.313	C	S	.	.	H	α-helix	trans	-61.7	-42.1	175.2	-78.3	80	-175.5	0	0	113.4	K719 F759 A760 E765 M766	K719-E762 HydrophobicContact CB-CG 4.33Å; K719-E762 HydrophobicContact CD-CB 4.34Å; K719-E762 HydrophobicContact CD-CG 3.26Å; K719-E762 HydrophobicContact CG-CG 4.44Å; K719-E762 VanDerWaalsContact NZ-CG 3.32Å; K719-E762 IonicContact NZ-OE1 3.22Å; K719-E762 PolarHBondContact NZ-OE1 3.29Å; F759-E762 HydrophobicContact CB-CB 4.38Å; F759-E762 WeakPolarHBondContact O-CB 3.37Å; F759-E762 PolarHBondContact O-N 2.89Å; A760-E762 VanDerWaalsContact C-N 3.34Å; A760-E762 PolarHBondContact O-N 3.29Å; E762-E765 PolarHBondContact O-N 2.9Å; E762-M766 WeakPolarHBondContact O-CB 3.49Å; E762-M766 WeakPolarHBondContact O-CG 3.43Å; E762-M766 PolarHBondContact O-N 3.28Å
763	L	83.5	Confident	83.7	Confident	19 Å²	19	66.1 Å²	66.1	10%	0.099	32%	0.317	C	S	.	.	H	α-helix	trans	-65.7	-43.4	179.4	-72.4	168.6	0	0	0	110.5	I720 L722 F723 K756 F759 A760 M766 E767	I720-L763 HydrophobicContact CG2-CD2 3.71Å; I720-L763 HydrophobicContact CG2-CG 4.12Å; L722-L763 HydrophobicContact CD2-CD2 3.86Å; F723-L763 HydrophobicContact CD2-CD1 4.45Å; F723-L763 HydrophobicContact CD2-CD2 4.46Å; F723-L763 HydrophobicContact CE2-CD1 4.21Å; K756-L763 HydrophobicContact CB-CD1 4.39Å; K756-L763 HydrophobicContact CG-CD1 4.34Å; F759-L763 WeakPolarHBondContact O-CB 3.32Å; F759-L763 VanDerWaalsContact O-CG 3.26Å; F759-L763 WeakPolarHBondContact O-CG 3.47Å; F759-L763 PolarHBondContact O-N 3.27Å; A760-L763 PolarHBondContact O-N 3.17Å; L763-M766 PolarHBondContact O-N 3.27Å; L763-E767 WeakPolarHBondContact O-CB 3.41Å; L763-E767 WeakPolarHBondContact O-CG 3.47Å; L763-E767 PolarHBondContact O-N 3.1Å
764	E	84.1	Confident	82.7	Confident	123 Å²	123	68.9 Å²	68.9	58%	0.575	33%	0.334	S	S	*	.	H	α-helix	trans	-60.2	-47.8	174.6	-73.5	177.7	-173.2	0	0	111.5	A760 E761 M766 E767 E768	A760-E764 WeakPolarHBondContact O-CG 3.32Å; A760-E764 PolarHBondContact O-N 3.29Å; E761-E764 PolarHBondContact O-N 3Å; E764-M766 VanDerWaalsContact C-N 3.27Å; E764-M766 PolarHBondContact O-N 3.11Å; E764-E767 PolarHBondContact O-N 3.32Å; E764-E768 WeakPolarHBondContact O-CG 3.38Å; E764-E768 PolarHBondContact O-N 3.44Å
765	E	82.3	Confident	81.6	Confident	124 Å²	124	78.9 Å²	78.9	58%	0.579	37%	0.372	S	S	*	.	H	α-helix	trans	-57.4	-42.3	175.6	-76.6	-173.5	164.6	0	0	111.6	E761 E762 Q769	E761-E765 WeakPolarHBondContact O-CG 3.45Å; E761-E765 PolarHBondContact O-N 3.1Å; E762-E765 PolarHBondContact O-N 2.9Å; E765-Q769 WeakPolarHBondContact O-CG 3.42Å; E765-Q769 PolarHBondContact O-N 3.06Å
766	M	77.4	Confident	80.3	Confident	15 Å²	15	87.6 Å²	87.6	7%	0.074	40%	0.404	C	S	.	.	H	α-helix	trans	-67.8	-40.1	179.2	-72.9	172.4	57.7	0	0	112.3	E678 A718 I720 L722 E762 L763 E764 Q769 R770	E678-M766 WeakPolarHBondContact OE1-CE 3.43Å; A718-M766 HydrophobicContact CB-CE 3.32Å; A718-M766 HydrophobicContact CB-SD 4.06Å; I720-M766 VanDerWaalsContact O-CE 3.32Å; I720-M766 WeakPolarHBondContact O-CE 3.48Å; L722-M766 HydrophobicContact CD2-CB 4.32Å; L722-M766 HydrophobicContact CD2-CE 4.2Å; L722-M766 HydrophobicContact CG-CE 4.04Å; E762-M766 WeakPolarHBondContact O-CB 3.49Å; E762-M766 WeakPolarHBondContact O-CG 3.43Å; E762-M766 PolarHBondContact O-N 3.28Å; L763-M766 PolarHBondContact O-N 3.27Å; E764-M766 VanDerWaalsContact C-N 3.27Å; E764-M766 PolarHBondContact O-N 3.11Å; M766-Q769 PolarHBondContact O-N 2.95Å; M766-R770 WeakPolarHBondContact O-CB 3.46Å; M766-R770 PolarHBondContact O-N 3.39Å
767	E	80.9	Confident	78.3	Confident	98 Å²	98	86 Å²	86	46%	0.458	41%	0.413	S	S	.	.	H	α-helix	trans	-63.8	-44.1	174.6	-76	179.2	177.6	0	0	111.5	L722 L763 E764 Q769 R770 E771	L722-E767 HydrophobicContact CD2-CG 4.2Å; L763-E767 WeakPolarHBondContact O-CB 3.41Å; L763-E767 WeakPolarHBondContact O-CG 3.47Å; L763-E767 PolarHBondContact O-N 3.1Å; E764-E767 PolarHBondContact O-N 3.32Å; E767-Q769 VanDerWaalsContact C-N 3.34Å; E767-Q769 PolarHBondContact O-N 3.43Å; E767-R770 WeakPolarHBondContact O-CA 3.38Å; E767-R770 VanDerWaalsContact O-CB 3.3Å; E767-R770 WeakPolarHBondContact O-CB 3.38Å; E767-R770 PolarHBondContact O-N 2.88Å; E767-R770 VanDerWaalsContact O-N 3.07Å; E767-E771 PolarHBondContact O-N 3.25Å
768	E	81.9	Confident	76.1	Confident	121 Å²	121	88.4 Å²	88.4	57%	0.565	44%	0.444	S	S	*	.	H	α-helix	trans	-59.6	-44.3	173.9	-73.3	-172.5	172.5	0	0	111.7	E764 R770 E771 L772	E764-E768 WeakPolarHBondContact O-CG 3.38Å; E764-E768 PolarHBondContact O-N 3.44Å; E768-R770 VanDerWaalsContact C-N 3.3Å; E768-R770 PolarHBondContact O-N 3.14Å; E768-E771 PolarHBondContact O-N 3.16Å; E768-L772 WeakPolarHBondContact O-CB 3.46Å; E768-L772 VanDerWaalsContact O-CG 3.3Å; E768-L772 WeakPolarHBondContact O-CG 3.27Å; E768-L772 PolarHBondContact O-N 3.17Å
769	Q	77.4	Confident	73.4	Confident	101 Å²	101	91.1 Å²	91.1	47%	0.472	47%	0.473	S	S	.	.	H	α-helix	trans	-64.7	-35.3	175.3	-67.7	-50.4	-48.1	0	0	111.9	E765 M766 E767 R773	E765-Q769 WeakPolarHBondContact O-CG 3.42Å; E765-Q769 PolarHBondContact O-N 3.06Å; M766-Q769 PolarHBondContact O-N 2.95Å; E767-Q769 VanDerWaalsContact C-N 3.34Å; E767-Q769 PolarHBondContact O-N 3.43Å; Q769-R773 WeakPolarHBondContact O-CB 3.4Å; Q769-R773 WeakPolarHBondContact O-CG 3.42Å; Q769-R773 PolarHBondContact O-N 3.32Å; Q769-R773 PolarHBondContact O-NE 2.71Å
770	R	75.2	Confident	71.1	Confident	104 Å²	104	96.9 Å²	96.9	39%	0.392	51%	0.514	S	S	.	.	H	α-helix	trans	-63.4	-47.4	174.6	-178.8	-175.4	178.1	-155.6	4	110.7	E680 M766 E767 E768 L772 R773 S774	E680-R770 HydrophobicContact CG-CG 4.15Å; E680-R770 IonicContact OE1-CZ 2.73Å; E680-R770 IonicContact OE1-NE 2.81Å; E680-R770 PolarHBondContact OE1-NE 2.97Å; E680-R770 IonicContact OE1-NH2 2.61Å; E680-R770 PolarHBondContact OE1-NH2 3.31Å; E680-R770 IonicContact OE2-NE 3.73Å; M766-R770 WeakPolarHBondContact O-CB 3.46Å; M766-R770 PolarHBondContact O-N 3.39Å; E767-R770 WeakPolarHBondContact O-CA 3.38Å; E767-R770 VanDerWaalsContact O-CB 3.3Å; E767-R770 WeakPolarHBondContact O-CB 3.38Å; E767-R770 PolarHBondContact O-N 2.88Å; E767-R770 VanDerWaalsContact O-N 3.07Å; E768-R770 VanDerWaalsContact C-N 3.3Å; E768-R770 PolarHBondContact O-N 3.14Å; R770-L772 PolarHBondContact O-N 3.24Å; R770-R773 PolarHBondContact O-N 3.44Å; R770-S774 WeakPolarHBondContact O-CB 3.37Å; R770-S774 PolarHBondContact O-N 3.19Å
771	E	77.8	Confident	68.4	Low	122 Å²	122	100.4 Å²	100.4	57%	0.57	54%	0.537	S	S	*	.	H	α-helix	trans	-62.7	-44	176.7	-70.6	-170.2	171.6	0	0	112.3	E767 E768 R773 S774 R775	E767-E771 PolarHBondContact O-N 3.25Å; E768-E771 PolarHBondContact O-N 3.16Å; E771-R773 VanDerWaalsContact C-N 3.28Å; E771-R773 PolarHBondContact O-N 3.15Å; E771-S774 PolarHBondContact O-N 3.43Å; E771-R775 WeakPolarHBondContact O-CB 3.45Å; E771-R775 VanDerWaalsContact O-CG 3.28Å; E771-R775 WeakPolarHBondContact O-CG 3.42Å; E771-R775 PolarHBondContact O-N 3.37Å
772	L	79.2	Confident	66.1	Low	73 Å²	73	98.8 Å²	98.8	38%	0.382	54%	0.539	S	S	.	.	H	α-helix	trans	-61	-37.8	176.6	-76.3	167.3	0	0	0	112.2	E768 R770 R776	E768-L772 WeakPolarHBondContact O-CB 3.46Å; E768-L772 VanDerWaalsContact O-CG 3.3Å; E768-L772 WeakPolarHBondContact O-CG 3.27Å; E768-L772 PolarHBondContact O-N 3.17Å; R770-L772 PolarHBondContact O-N 3.24Å; L772-R776 WeakPolarHBondContact O-CB 3.32Å; L772-R776 VanDerWaalsContact O-CG 3.28Å; L772-R776 WeakPolarHBondContact O-CG 3.41Å; L772-R776 PolarHBondContact O-N 2.77Å
773	R	74.7	Confident	63.8	Low	79 Å²	79	103.2 Å²	103.2	30%	0.298	57%	0.569	S	S	.	*	H	α-helix	trans	-68.3	-44.5	175.2	-75.6	176.6	-77.6	177.7	4.9	111.2	E678 Q769 R770 E771 R775 R776	E678-R773 IonicContact OE2-CZ 3.04Å; E678-R773 IonicContact OE2-NH1 3.75Å; E678-R773 IonicContact OE2-NH2 2.63Å; E678-R773 PolarHBondContact OE2-NH2 3.3Å; E678-R773 VanDerWaalsContact OE2-NH2 3.08Å; Q769-R773 WeakPolarHBondContact O-CB 3.4Å; Q769-R773 WeakPolarHBondContact O-CG 3.42Å; Q769-R773 PolarHBondContact O-N 3.32Å; Q769-R773 PolarHBondContact O-NE 2.71Å; R770-R773 PolarHBondContact O-N 3.44Å; E771-R773 VanDerWaalsContact C-N 3.28Å; E771-R773 PolarHBondContact O-N 3.15Å; R773-R775 PolarHBondContact O-N 3Å; R773-R776 PolarHBondContact O-N 3.49Å
774	S	67.2	Low	61.1	Low	98 Å²	98	110.6 Å²	110.6	69%	0.685	60%	0.604	S	S	*	*	H	α-helix	trans	-59.8	-44.6	176.5	-177.5	0	0	0	0	112.1	R770 E771 R776 G777	R770-S774 WeakPolarHBondContact O-CB 3.37Å; R770-S774 PolarHBondContact O-N 3.19Å; E771-S774 PolarHBondContact O-N 3.43Å; S774-R776 VanDerWaalsContact C-N 3.29Å; S774-R776 PolarHBondContact O-N 2.68Å; S774-G777 PolarHBondContact O-N 2.86Å
775	R	68.8	Low	58.6	Low	210 Å²	210	113.8 Å²	113.8	79%	0.792	62%	0.619	S	S	*	*	H	α-helix	trans	-68.3	-23.5	178.3	-67.7	173.2	96	166	8.5	113.9	E771 R773 G777	E771-R775 WeakPolarHBondContact O-CB 3.45Å; E771-R775 VanDerWaalsContact O-CG 3.28Å; E771-R775 WeakPolarHBondContact O-CG 3.42Å; E771-R775 PolarHBondContact O-N 3.37Å; R773-R775 PolarHBondContact O-N 3Å; R775-G777 VanDerWaalsContact C-N 3.34Å
776	R	63.5	Low	56.1	Low	191 Å²	191	113.1 Å²	113.1	72%	0.721	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86	-2	179.4	-76.5	178.7	178.7	-171.7	2.6	114	L772 R773 S774	L772-R776 WeakPolarHBondContact O-CB 3.32Å; L772-R776 VanDerWaalsContact O-CG 3.28Å; L772-R776 WeakPolarHBondContact O-CG 3.41Å; L772-R776 PolarHBondContact O-N 2.77Å; R773-R776 PolarHBondContact O-N 3.49Å; S774-R776 VanDerWaalsContact C-N 3.29Å; S774-R776 PolarHBondContact O-N 2.68Å
777	G	45.4	Very low	53.9	Low	57 Å²	57	115.9 Å²	115.9	59%	0.588	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	54.2	80.5	170.5	0	0	0	0	0	114.2	S774 R775 G779	S774-G777 PolarHBondContact O-N 2.86Å; R775-G777 VanDerWaalsContact C-N 3.34Å; G777-G779 PolarHBondContact O-N 3.24Å
778	G	44.8	Very low	51.6	Low	79 Å²	79	115.5 Å²	115.5	81%	0.814	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	53.7	7.2	158.2	0	0	0	0	0	119.2
779	G	33.8	Very low	49.2	Very low	64 Å²	64	119.9 Å²	119.9	66%	0.66	70%	0.698	S	S	*	*			trans	-97.6	114.2	-172.7	0	0	0	0	0	112.9	G777 S781	G777-G779 PolarHBondContact O-N 3.24Å; G779-S781 PolarHBondContact O-N 3.04Å
780	C	40.2	Very low	46.9	Very low	133 Å²	133	127.3 Å²	127.3	90%	0.899	72%	0.722	S	S	*	*			trans	-57	128	174.9	-160.5	0	0	0	0	112.5
781	S	30.5	Very low	44.9	Very low	108 Å²	108	126 Å²	126	76%	0.755	74%	0.741	S	S	*	*			trans	-155.6	148.3	161.1	-87.8	0	0	0	0	111.7	G779	G779-S781 PolarHBondContact O-N 3.04Å
782	P	37.5	Very low	42.7	Very low	116 Å²	116	129.2 Å²	129.2	75%	0.753	76%	0.756	S	S	*	*			trans	-80.9	132.3	-164.6	31.3	-32.9	0	0	0	112.9
783	V	33.8	Very low	40.3	Very low	133 Å²	133	135.4 Å²	135.4	81%	0.806	78%	0.783	S	S	*	*			trans	43.5	98.8	141.7	-168.3	0	0	0	0	116.2
784	M	27.3	Very low	38	Very low	173 Å²	173	135.1 Å²	135.1	85%	0.852	80%	0.804	S	S	*	*			trans	-91.3	128.3	153.4	-78.1	-171.3	100.1	0	0	110	A786	M784-A786 PolarHBondContact O-N 3.15Å
785	Q	31.5	Very low	36.1	Very low	190 Å²	190	135.1 Å²	135.1	89%	0.888	81%	0.81	S	S	*	*			trans	-55.2	101.5	169.1	-71	171	-18.5	0	0	110.7	G787	Q785-G787 PolarHBondContact O-N 3.12Å
786	A	28.9	Very low	34.2	Very low	111 Å²	111	130.9 Å²	130.9	92%	0.917	81%	0.81	S	S	*	*			trans	-86.9	97.8	159.9	0	0	0	0	0	108	M784	M784-A786 PolarHBondContact O-N 3.15Å
787	G	32	Very low	32.5	Very low	72 Å²	72	130.1 Å²	130.1	74%	0.742	82%	0.819	S	S	*	*	S	Bend	trans	162.2	50.3	177.2	0	0	0	0	0	115.4	Q785	Q785-G787 PolarHBondContact O-N 3.12Å
788	A	32.9	Very low	31.6	Very low	91 Å²	91	136.2 Å²	136.2	75%	0.752	83%	0.832	S	S	*	*	S	Bend	trans	159.6	94.7	151.9	0	0	0	0	0	109.2
789	K	30.9	Very low	30.7	Very low	212 Å²	212	138 Å²	138	92%	0.922	83%	0.832	S	S	*	*			trans	167.6	91.7	146.7	-95.4	169.2	-177.3	-168.6	0	109.7
790	R	29.8	Very low	30.3	Very low	257 Å²	257	138.2 Å²	138.2	97%	0.97	84%	0.835	S	S	*	*			trans	-152.8	118.7	142.1	-99.8	-177.1	-176.9	-177.2	1.6	106
791	G	31.4	Very low	29.6	Very low	76 Å²	76	139.5 Å²	139.5	78%	0.784	83%	0.833	S	S	*	*			trans	158.9	49.7	-170.8	0	0	0	0	0	110.5
792	Q	32.9	Very low	29.4	Very low	190 Å²	190	139 Å²	139	89%	0.888	83%	0.829	S	S	*	*			trans	-170.2	99	161.9	-109.9	176.9	21.8	0	0	109
793	Q	28	Very low	28.9	Very low	204 Å²	204	142.5 Å²	142.5	95%	0.953	83%	0.832	S	S	*	*			trans	-177.4	122.9	157.3	-98.5	171.9	27.9	0	0	102.5
794	G	27.5	Very low	28.7	Very low	73 Å²	73	147.5 Å²	147.5	75%	0.753	84%	0.837	S	S	*	*			cis	153.8	100.9	12.8	0	0	0	0	0	102.9
795	A	26.8	Very low	28.7	Very low	98 Å²	98	147.9 Å²	147.9	81%	0.81	84%	0.841	S	S	*	*	P	Polyproline II helix	trans	-70.4	132.4	178.7	0	0	0	0	0	109.1
796	P	28.6	Very low	28.5	Very low	121 Å²	121	147.9 Å²	147.9	79%	0.786	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-76.2	131	173.6	8	5.2	0	0	0	110.3	H798	P796-H798 PolarHBondContact O-N 2.86Å
797	L	27.6	Very low	28.7	Very low	174 Å²	174	148.4 Å²	148.4	91%	0.911	84%	0.835	S	S	*	*	P	Polyproline II helix	trans	-59.3	120.9	163.1	-76.7	141.9	0	0	0	109.6
798	H	27.6	Very low	28.8	Very low	185 Å²	185	154 Å²	154	86%	0.856	86%	0.863	S	S	*	*			trans	-113.5	112.3	156	-101.5	-61.3	0	0	0	109.5	P796	P796-H798 PolarHBondContact O-N 2.86Å
799	S	26	Very low	28.6	Very low	116 Å²	116	157.2 Å²	157.2	81%	0.811	87%	0.868	S	S	*	*			trans	-72.1	141.6	164.5	51.2	0	0	0	0	111.2
800	G	25.1	Very low	28.5	Very low	70 Å²	70	154.3 Å²	154.3	72%	0.722	87%	0.866	S	S	*	*			trans	155.3	92.7	159.9	0	0	0	0	0	115.3
801	D	25.3	Very low	28.4	Very low	160 Å²	160	148.6 Å²	148.6	86%	0.856	86%	0.86	S	S	*	*			trans	30.5	120.9	143.6	-73.4	-37.5	0	0	0	120.6
802	S	26	Very low	28.3	Very low	96 Å²	96	152.8 Å²	152.8	67%	0.671	86%	0.864	S	S	*	*				157.1	138.9	89	-117.8	0	0	0	0	113.1
803	K	27.6	Very low	28	Very low	191 Å²	191	150.5 Å²	150.5	83%	0.83	86%	0.863	S	S	*	*			trans	75.6	107	147.3	-67.6	175.4	-177.7	176.8	0	120.6
804	R	28.9	Very low	28	Very low	238 Å²	238	146.9 Å²	146.9	90%	0.898	86%	0.857	S	S	*	*				25.3	120.5	119.7	-88.5	-179.9	172.5	-178.2	-0.9	116.5
805	L	27.6	Very low	28	Very low	180 Å²	180	152.2 Å²	152.2	94%	0.942	86%	0.864	S	S	*	*				-167.4	144.3	111.4	-102.2	142.2	0	0	0	111.8
806	K	27.9	Very low	28.1	Very low	191 Å²	191	156.4 Å²	156.4	83%	0.83	87%	0.868	S	S	*	*			trans	-78.8	173.8	179.1	-78.9	178.6	168.9	-177.4	0	111.5
807	S	31.3	Very low	28.1	Very low	121 Å²	121	159.3 Å²	159.3	85%	0.846	88%	0.875	S	S	*	*			trans	80.6	131.8	166.9	71.7	0	0	0	0	113.9
808	S	35.6	Very low	28.1	Very low	190 Å²	190	158 Å²	158	100%	1.329	87%	0.872	S	S	*	*			cis	-155.3	0	20.7	45.7	0	0	0	0	110.1

Retrieved 808 of 808 residues in 305.8 ms (Link to these results)

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