A0A096MP66_PAPAN Loading...

Ubiquitin carboxyl-terminal hydrolase 25

The muscle-specific isoform (USP25m) may have a role in the regulation of muscular differentiation and function.

AlphaFold DB , UniProt , Accession A0A096MP66, Species PAPAN (Papio anubis, Olive baboon), Gene USP25, Length 1,125 aa.

						>A0A096MP66_PAPAN|A0A096MP66|USP25
MTVEQNVLQQSAAQKHQQTFLNQLREITGINDTQILQQALKDSNGNLELAVAFLTAKNAKTPQQEEATYYQTALPGNDRYISVGSQADTNVIDLTGDDKDDLQRAIALSLAESNRAFRETGITDEEQAISRVLEASIAENKACLKRTPTEVWRDSRNPYDRKRQDKAPVGLKNVGNTCWFSAVIQSLFNLLEFRRLVLNYKPPSNAQDLPRNQKEHRNLPFMRELRYLFALLVGTKRKYVDPSRAVEILKDAFKSNDSQQQDVSEFTHKLLDWLEDAFQMKAEEETDEEKPKNPMVELFYGRFLAVGVLEGKKFENTEMFGQYPLQVNGFKDLHECLEAAMIEGEIESLHSENSGKSGQEHWFTELPPVLTFELSRFEFNQALGRPEKIHNKLEFPQVLYLDRYMHRNREITRIKREEIKRLKDYLTVLQQRLERYLSYGSGPKRFPLVDVLQYALEFASSKPVCTSPVDDIDASSPPSGSIPSQTLPSTTEQQGAPSSELPSTSPSSVAAVSSRSVIHKPFTQSRIPPDLPMHPAPRHITEEELSVLESCLHRWRTEIENDTRDLQESISRIHRTIELMYADKSMIQVPYRLHAVLVHEGQANAGHYWAYIFDHRESRWMKYNDIAVTKSSWEELVRDSFGGYRNASAYCLMYINDKAQFLIQEEFNKETGQPLVGIETLPPDLRDFVEEDNQRFEKELEEWDAQLAQKALQEKLLASQKLRESETSVTTAQAAGDPEYLEQPSRSDFSKHLKEETIRIITKASHEHEDKSPETVLQSKPENTTSQPLSNQRVVEVAIPHVGKFMIESKEGGYDDEIMMTPNMQGIIMAIGKSRSVYDRCGPEAGFFKAIKLEYARLVKLAQEDTPPETDYRLHHVVVYFIQNQTPKKIIEKTLLEQFGDRNLSFDERCHNIMKVAQAKLEMIKPEEVNLEEYEEWHQDYRKFRETTMYLIIGLENFQRESYIDSLLFLICAYQNNKELLSKGLYRGHDEELISHYRRECLLKLNEQAAELFESGEDREVNNGLIIMNEFIVPFLPLLLVDEMEEKDILAVEDMRNRWCSYLGQEMEPHLQEKLTDFLPKLLDCSMEIKSFHEPPKLPSYSTHELCERFARIMLSLSRTPADGR
					

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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	48.5	Very low	49.5	Very low	197 Å²	197	119.5 Å²	119.5	97%	0.97	63%	0.627	S	S	*	*				0	51.2	0	-53.5	-175.1	-58	0	0	110.9
2	T	52.3	Low	49.7	Very low	109 Å²	109	114.4 Å²	114.4	67%	0.669	62%	0.615	S	S	*	*			trans	-144.1	2.6	-175.8	39	0	0	0	0	113.5	N6	T2-N6 PolarHBondContact O-ND2 2.66Å
3	V	49	Very low	50.1	Low	109 Å²	109	110.2 Å²	110.2	66%	0.661	61%	0.605	S	S	*	*	S	Bend	trans	-108.1	-55.9	176.1	-177.1	0	0	0	0	109.4	Q5 N6 V7	V3-Q5 VanDerWaalsContact C-N 3.27Å; V3-Q5 PolarHBondContact O-N 3.41Å; V3-N6 WeakPolarHBondContact O-CB 3.48Å; V3-N6 PolarHBondContact O-N 3.33Å; V3-V7 PolarHBondContact O-N 3.48Å
4	E	46.8	Very low	50.7	Low	145 Å²	145	112.4 Å²	112.4	68%	0.678	61%	0.609	S	S	*	*	H	α-helix	trans	-55.9	-39.6	177.6	-63.4	157.2	127.2	0	0	112.8	N6 V7 L8	E4-N6 VanDerWaalsContact C-N 3.34Å; E4-N6 PolarHBondContact O-N 3.2Å; E4-V7 PolarHBondContact O-N 3.36Å; E4-L8 WeakPolarHBondContact O-CB 3.39Å; E4-L8 WeakPolarHBondContact O-CG 3.42Å; E4-L8 PolarHBondContact O-N 3.16Å
5	Q	48.2	Very low	51.5	Low	128 Å²	128	115.4 Å²	115.4	60%	0.598	61%	0.614	S	S	*	*	H	α-helix	trans	-68.2	-32.7	179.6	-151.7	170.5	13.2	0	0	112.4	V3 Q9	V3-Q5 VanDerWaalsContact C-N 3.27Å; V3-Q5 PolarHBondContact O-N 3.41Å; Q5-Q9 PolarHBondContact O-N 3.12Å; Q5-Q9 VanDerWaalsContact O-N 3.09Å
6	N	47	Very low	52.6	Low	90 Å²	90	115.3 Å²	115.3	48%	0.481	61%	0.609	S	S	.	*	H	α-helix	trans	-72.4	-39.6	172.8	-86	-57.8	0	0	0	111.7	T2 V3 E4 Q9 Q10	T2-N6 PolarHBondContact O-ND2 2.66Å; V3-N6 WeakPolarHBondContact O-CB 3.48Å; V3-N6 PolarHBondContact O-N 3.33Å; E4-N6 VanDerWaalsContact C-N 3.34Å; E4-N6 PolarHBondContact O-N 3.2Å; N6-Q9 PolarHBondContact O-N 3.32Å; N6-Q10 WeakPolarHBondContact O-CG 3.48Å; N6-Q10 PolarHBondContact O-N 3.08Å
7	V	50.8	Low	53.6	Low	87 Å²	87	113.9 Å²	113.9	53%	0.527	60%	0.598	S	S	.	*	H	α-helix	trans	-64.1	-41.6	175.7	175.5	0	0	0	0	111.1	V3 E4 Q10 S11	V3-V7 PolarHBondContact O-N 3.48Å; E4-V7 PolarHBondContact O-N 3.36Å; V7-Q10 PolarHBondContact O-N 3.04Å; V7-S11 WeakPolarHBondContact O-CB 3.43Å; V7-S11 PolarHBondContact O-N 2.95Å
8	L	49.3	Very low	54.8	Low	123 Å²	123	112.7 Å²	112.7	64%	0.644	59%	0.589	S	S	*	*	H	α-helix	trans	-63.8	-41.3	174.1	-78.1	164.1	0	0	0	112.4	E4 S11 A12	E4-L8 WeakPolarHBondContact O-CB 3.39Å; E4-L8 WeakPolarHBondContact O-CG 3.42Å; E4-L8 PolarHBondContact O-N 3.16Å; L8-S11 PolarHBondContact O-N 3.46Å; L8-A12 WeakPolarHBondContact O-CB 3.38Å; L8-A12 PolarHBondContact O-N 3.39Å
9	Q	49.3	Very low	56	Low	133 Å²	133	110.4 Å²	110.4	62%	0.621	58%	0.58	S	S	*	*	H	α-helix	trans	-65.9	-39.5	174.5	-87.5	-175.4	-41.1	0	0	113	Q5 N6 A12 A13	Q5-Q9 PolarHBondContact O-N 3.12Å; Q5-Q9 VanDerWaalsContact O-N 3.09Å; N6-Q9 PolarHBondContact O-N 3.32Å; Q9-A12 PolarHBondContact O-N 3.23Å; Q9-A13 WeakPolarHBondContact O-CB 3.16Å; Q9-A13 PolarHBondContact O-N 3.26Å
10	Q	49.8	Very low	56.9	Low	132 Å²	132	107.5 Å²	107.5	62%	0.617	56%	0.562	S	S	*	*	H	α-helix	trans	-65.1	-41.4	174.9	-75.4	-177.5	-25.6	0	0	111.9	N6 V7 A13 Q14	N6-Q10 WeakPolarHBondContact O-CG 3.48Å; N6-Q10 PolarHBondContact O-N 3.08Å; V7-Q10 PolarHBondContact O-N 3.04Å; Q10-A13 PolarHBondContact O-N 3.35Å; Q10-Q14 WeakPolarHBondContact O-CG 3.33Å; Q10-Q14 PolarHBondContact O-N 3.09Å
11	S	53.1	Low	57.9	Low	61 Å²	61	102.6 Å²	102.6	43%	0.427	54%	0.537	S	S	.	.	H	α-helix	trans	-60.8	-45	174.7	-178	0	0	0	0	112.3	V7 L8 K15	V7-S11 WeakPolarHBondContact O-CB 3.43Å; V7-S11 PolarHBondContact O-N 2.95Å; L8-S11 PolarHBondContact O-N 3.46Å; S11-K15 PolarHBondContact O-N 3.13Å
12	A	51.9	Low	59.2	Low	59 Å²	59	97 Å²	97	49%	0.488	51%	0.511	S	S	.	.	H	α-helix	trans	-63.9	-44.2	176.4	0	0	0	0	0	112.1	L8 Q9 K15 H16	L8-A12 WeakPolarHBondContact O-CB 3.38Å; L8-A12 PolarHBondContact O-N 3.39Å; Q9-A12 PolarHBondContact O-N 3.23Å; A12-K15 PolarHBondContact O-N 3.45Å; A12-H16 WeakPolarHBondContact O-CB 3.46Å; A12-H16 PolarHBondContact O-N 2.97Å
13	A	54.7	Low	60.2	Low	59 Å²	59	95.1 Å²	95.1	49%	0.488	50%	0.495	S	S	.	.	H	α-helix	trans	-62.8	-43.7	178	0	0	0	0	0	112.3	Q9 Q10 H16 Q17	Q9-A13 WeakPolarHBondContact O-CB 3.16Å; Q9-A13 PolarHBondContact O-N 3.26Å; Q10-A13 PolarHBondContact O-N 3.35Å; A13-H16 PolarHBondContact O-N 3.44Å; A13-Q17 WeakPolarHBondContact O-CB 3.49Å; A13-Q17 PolarHBondContact O-N 3.36Å
14	Q	59.1	Low	61.3	Low	141 Å²	141	90 Å²	90	66%	0.659	46%	0.463	S	S	*	.	H	α-helix	trans	-64.9	-41.9	176.4	-75.9	-173.8	-51.8	0	0	112.4	Q10 Q18	Q10-Q14 WeakPolarHBondContact O-CG 3.33Å; Q10-Q14 PolarHBondContact O-N 3.09Å; Q14-Q18 WeakPolarHBondContact O-CB 3.45Å; Q14-Q18 PolarHBondContact O-N 2.61Å
15	K	63	Low	62.8	Low	158 Å²	158	87 Å²	87	69%	0.687	45%	0.446	S	S	*	.	H	α-helix	trans	-59.8	-48.5	173.4	-84.6	-167.1	169.7	-169.3	0	111.5	S11 A12 Q17 Q18 T19	S11-K15 PolarHBondContact O-N 3.13Å; A12-K15 PolarHBondContact O-N 3.45Å; K15-Q17 PolarHBondContact O-N 3.44Å; K15-Q18 PolarHBondContact O-N 3.26Å; K15-T19 PolarHBondContact O-N 3.43Å; K15-T19 PolarHBondContact O-OG1 3.36Å; K15-T19 VanDerWaalsContact O-OG1 3.12Å
16	H	68.4	Low	63.8	Low	113 Å²	113	88.7 Å²	88.7	52%	0.523	45%	0.454	S	S	.	.	H	α-helix	trans	-63.9	-41.2	-178.1	-163.7	33.6	0	0	0	112.2	A12 A13 T19 F20	A12-H16 WeakPolarHBondContact O-CB 3.46Å; A12-H16 PolarHBondContact O-N 2.97Å; A13-H16 PolarHBondContact O-N 3.44Å; H16-T19 PolarHBondContact O-N 3.38Å; H16-F20 AromaticContact CD2-CE2 3.82Å; H16-F20 AromaticContact CE1-CE2 3.36Å; H16-F20 WeakPolarHBondContact CE1-CE2 3.3Å; H16-F20 AromaticContact CE1-CZ 3.42Å; H16-F20 VanDerWaalsContact CE1-CZ 3.42Å; H16-F20 WeakPolarHBondContact CE1-CZ 3.42Å; H16-F20 AromaticContact CG-CE2 4Å; H16-F20 AromaticContact ND1-CE2 3.72Å; H16-F20 AromaticContact NE2-CE2 3.43Å; H16-F20 WeakPolarHBondContact NE2-CE2 3.43Å; H16-F20 AromaticContact NE2-CZ 3.72Å; H16-F20 VanDerWaalsContact O-CD2 3.32Å; H16-F20 WeakPolarHBondContact O-CD2 3.12Å; H16-F20 PolarHBondContact O-N 3.01Å; H16-F20 VanDerWaalsContact O-N 3.11Å
17	Q	70.6	Confident	65.1	Low	93 Å²	93	89 Å²	89	44%	0.435	46%	0.455	S	S	.	.	H	α-helix	trans	-63.1	-41	173.3	-169.8	176.9	7.6	0	0	111.8	A13 K15 F20 L21 L40	A13-Q17 WeakPolarHBondContact O-CB 3.49Å; A13-Q17 PolarHBondContact O-N 3.36Å; K15-Q17 PolarHBondContact O-N 3.44Å; Q17-F20 PolarHBondContact O-N 3.44Å; Q17-L21 HydrophobicContact CG-CD1 4.38Å; Q17-L21 VanDerWaalsContact O-CG 3.29Å; Q17-L21 WeakPolarHBondContact O-CG 3.22Å; Q17-L21 PolarHBondContact O-N 2.99Å; Q17-L40 HydrophobicContact CG-CD2 4.27Å
18	Q	74.5	Confident	66.2	Low	92 Å²	92	86.4 Å²	86.4	43%	0.43	44%	0.439	S	S	.	.	H	α-helix	trans	-66.5	-36.8	176.3	-168.6	61.3	54.5	0	0	112.3	Q14 K15 L21 N22	Q14-Q18 WeakPolarHBondContact O-CB 3.45Å; Q14-Q18 PolarHBondContact O-N 2.61Å; K15-Q18 PolarHBondContact O-N 3.26Å; Q18-L21 PolarHBondContact O-N 3.44Å; Q18-N22 PolarHBondContact NE2-OD1 2.8Å; Q18-N22 VanDerWaalsContact O-CG 3.27Å; Q18-N22 PolarHBondContact O-N 2.98Å; Q18-N22 PolarHBondContact O-OD1 2.84Å
19	T	76.9	Confident	66.8	Low	69 Å²	69	83 Å²	83	42%	0.423	43%	0.434	S	S	.	.	H	α-helix	trans	-59.1	-48.5	172.5	-57.4	0	0	0	0	111.2	K15 H16 L21 N22 Q23	K15-T19 PolarHBondContact O-N 3.43Å; K15-T19 PolarHBondContact O-OG1 3.36Å; K15-T19 VanDerWaalsContact O-OG1 3.12Å; H16-T19 PolarHBondContact O-N 3.38Å; T19-L21 VanDerWaalsContact C-N 3.34Å; T19-L21 PolarHBondContact O-N 2.85Å; T19-N22 PolarHBondContact O-N 3.44Å; T19-Q23 WeakPolarHBondContact O-CG 3.42Å; T19-Q23 PolarHBondContact O-N 3.18Å
20	F	75	Confident	68.1	Low	51 Å²	51	78.9 Å²	78.9	22%	0.224	42%	0.415	C	S	.	.	H	α-helix	trans	-64.3	-35.3	177.2	-71.9	-51.6	0	0	0	113.3	H16 Q17 Q23 L24 L40 L47	H16-F20 AromaticContact CD2-CE2 3.82Å; H16-F20 AromaticContact CE1-CE2 3.36Å; H16-F20 WeakPolarHBondContact CE1-CE2 3.3Å; H16-F20 AromaticContact CE1-CZ 3.42Å; H16-F20 VanDerWaalsContact CE1-CZ 3.42Å; H16-F20 WeakPolarHBondContact CE1-CZ 3.42Å; H16-F20 AromaticContact CG-CE2 4Å; H16-F20 AromaticContact ND1-CE2 3.72Å; H16-F20 AromaticContact NE2-CE2 3.43Å; H16-F20 WeakPolarHBondContact NE2-CE2 3.43Å; H16-F20 AromaticContact NE2-CZ 3.72Å; H16-F20 VanDerWaalsContact O-CD2 3.32Å; H16-F20 WeakPolarHBondContact O-CD2 3.12Å; H16-F20 PolarHBondContact O-N 3.01Å; H16-F20 VanDerWaalsContact O-N 3.11Å; Q17-F20 PolarHBondContact O-N 3.44Å; F20-Q23 PolarHBondContact O-N 3.19Å; F20-L24 WeakPolarHBondContact O-CB 3.42Å; F20-L24 WeakPolarHBondContact O-CG 3.3Å; F20-L24 PolarHBondContact O-N 2.78Å; F20-L40 HydrophobicContact CB-CD1 4.06Å; F20-L40 HydrophobicContact CB-CD2 3.78Å; F20-L40 HydrophobicContact CG-CD1 4.48Å; F20-L47 HydrophobicContact CD1-CD1 4.04Å
21	L	77.6	Confident	69.2	Low	6 Å²	6	78.3 Å²	78.3	3%	0.031	42%	0.417	C	S	.	.	H	α-helix	trans	-68.2	-37.1	174.8	-67.7	171.1	0	0	0	112.4	Q17 Q18 T19 R25 L36 Q37 L40	Q17-L21 HydrophobicContact CG-CD1 4.38Å; Q17-L21 VanDerWaalsContact O-CG 3.29Å; Q17-L21 WeakPolarHBondContact O-CG 3.22Å; Q17-L21 PolarHBondContact O-N 2.99Å; Q18-L21 PolarHBondContact O-N 3.44Å; T19-L21 VanDerWaalsContact C-N 3.34Å; T19-L21 PolarHBondContact O-N 2.85Å; L21-R25 WeakPolarHBondContact O-CB 3.45Å; L21-R25 PolarHBondContact O-N 3.35Å; L21-L36 HydrophobicContact CD2-CB 3.71Å; L21-L36 WeakPolarHBondContact O-CD1 3.2Å; L21-Q37 HydrophobicContact CD1-CG 3.56Å; L21-Q37 HydrophobicContact CD2-CB 4.33Å; L21-Q37 HydrophobicContact CD2-CG 3.6Å; L21-Q37 HydrophobicContact CG-CG 4.23Å; L21-L40 HydrophobicContact CD2-CD2 4.16Å; L21-L40 HydrophobicContact CG-CD2 4.35Å
22	N	75.7	Confident	70.6	Confident	80 Å²	80	79 Å²	79	43%	0.428	42%	0.416	S	S	.	.	H	α-helix	trans	-66.5	-46.3	174	-69.7	7.5	0	0	0	110.7	Q18 T19 L24 R25 E26	Q18-N22 PolarHBondContact NE2-OD1 2.8Å; Q18-N22 VanDerWaalsContact O-CG 3.27Å; Q18-N22 PolarHBondContact O-N 2.98Å; Q18-N22 PolarHBondContact O-OD1 2.84Å; T19-N22 PolarHBondContact O-N 3.44Å; N22-L24 PolarHBondContact O-N 3.41Å; N22-R25 WeakPolarHBondContact O-CB 3.47Å; N22-R25 PolarHBondContact O-N 3.14Å; N22-R25 VanDerWaalsContact O-N 3.14Å; N22-E26 WeakPolarHBondContact O-CB 3.44Å; N22-E26 PolarHBondContact O-N 3.42Å
23	Q	73.6	Confident	71.8	Confident	69 Å²	69	79.2 Å²	79.2	32%	0.322	41%	0.411	S	S	.	.	H	α-helix	trans	-60.8	-40.6	175.3	-73	174.8	-33.8	0	0	112.2	T19 F20 E26 I27 L47	T19-Q23 WeakPolarHBondContact O-CG 3.42Å; T19-Q23 PolarHBondContact O-N 3.18Å; F20-Q23 PolarHBondContact O-N 3.19Å; Q23-E26 PolarHBondContact O-N 2.91Å; Q23-I27 WeakPolarHBondContact O-CB 3.33Å; Q23-I27 WeakPolarHBondContact O-CD1 3.17Å; Q23-I27 WeakPolarHBondContact O-CG1 3.45Å; Q23-I27 PolarHBondContact O-N 3Å; Q23-L47 HydrophobicContact CB-CD2 4.47Å
24	L	71.8	Confident	72.8	Confident	0 Å²	0	83.4 Å²	83.4	0%	0	42%	0.42	C	S	.	.	H	α-helix	trans	-65.4	-37.8	173.9	-76	178.2	0	0	0	112.6	F20 N22 E26 T28 L36 L40 L47 A50 V51 L54	F20-L24 WeakPolarHBondContact O-CB 3.42Å; F20-L24 WeakPolarHBondContact O-CG 3.3Å; F20-L24 PolarHBondContact O-N 2.78Å; N22-L24 PolarHBondContact O-N 3.41Å; L24-E26 VanDerWaalsContact C-N 3.35Å; L24-T28 WeakPolarHBondContact O-CB 3.37Å; L24-T28 WeakPolarHBondContact O-CG2 3.3Å; L24-T28 PolarHBondContact O-N 2.89Å; L24-T28 PolarHBondContact O-OG1 2.84Å; L24-L36 HydrophobicContact CB-CD1 4.21Å; L24-L36 HydrophobicContact CB-CD2 3.93Å; L24-L40 HydrophobicContact CD1-CB 3.99Å; L24-L40 HydrophobicContact CD1-CD1 4.12Å; L24-L47 HydrophobicContact CD1-CD1 4.43Å; L24-L47 HydrophobicContact CD2-CD1 3.56Å; L24-L47 HydrophobicContact CD2-CG 4.27Å; L24-L47 HydrophobicContact CG-CD1 3.62Å; L24-A50 HydrophobicContact CD1-CB 3.86Å; L24-A50 HydrophobicContact CD2-CB 3.79Å; L24-A50 HydrophobicContact CG-CB 4.47Å; L24-V51 HydrophobicContact CD2-CG2 3.58Å; L24-L54 HydrophobicContact CD1-CD1 4.43Å; L24-L54 HydrophobicContact CD2-CD1 4.22Å
25	R	78.3	Confident	73.9	Confident	83 Å²	83	80.8 Å²	80.8	31%	0.313	41%	0.41	S	S	.	.	H	α-helix	trans	-64.1	-41.8	173.9	179.5	178.4	-71.4	167.7	-10.6	111.5	L21 N22 G29 N31 L36	L21-R25 WeakPolarHBondContact O-CB 3.45Å; L21-R25 PolarHBondContact O-N 3.35Å; N22-R25 WeakPolarHBondContact O-CB 3.47Å; N22-R25 PolarHBondContact O-N 3.14Å; N22-R25 VanDerWaalsContact O-N 3.14Å; R25-G29 VanDerWaalsContact O-CA 3.22Å; R25-G29 WeakPolarHBondContact O-CA 3.43Å; R25-G29 PolarHBondContact O-N 3.33Å; R25-N31 WeakPolarHBondContact CD-OD1 3.38Å; R25-N31 PolarHBondContact NE-OD1 3.38Å; R25-N31 PolarHBondContact NH2-O 2.92Å; R25-L36 HydrophobicContact CB-CD1 3.81Å
26	E	69.2	Low	74.7	Confident	164 Å²	164	73.3 Å²	73.3	77%	0.766	38%	0.377	S	S	*	.	H	α-helix	trans	-65.9	-42.8	178.4	-171.7	170.4	-155.2	0	0	111.8	N22 Q23 L24	N22-E26 WeakPolarHBondContact O-CB 3.44Å; N22-E26 PolarHBondContact O-N 3.42Å; Q23-E26 PolarHBondContact O-N 2.91Å; L24-E26 VanDerWaalsContact C-N 3.35Å
27	I	74.2	Confident	75.3	Confident	97 Å²	97	72 Å²	72	50%	0.497	37%	0.371	S	S	.	.	H	α-helix	trans	-78.4	-30.8	-179.5	-63.6	162.6	0	0	0	112.9	Q23 L47 V51	Q23-I27 WeakPolarHBondContact O-CB 3.33Å; Q23-I27 WeakPolarHBondContact O-CD1 3.17Å; Q23-I27 WeakPolarHBondContact O-CG1 3.45Å; Q23-I27 PolarHBondContact O-N 3Å; I27-L47 HydrophobicContact CD1-CD2 4.06Å; I27-V51 HydrophobicContact CB-CG2 4.32Å; I27-V51 HydrophobicContact CG2-CB 4.5Å; I27-V51 HydrophobicContact CG2-CG1 3.95Å; I27-V51 HydrophobicContact CG2-CG2 3.64Å
28	T	73.6	Confident	75.7	Confident	31 Å²	31	71.6 Å²	71.6	19%	0.19	37%	0.37	C	S	.	.	H	α-helix	trans	-113.1	-9	-173.3	70	0	0	0	0	115.3	L24 I30 V51 L54	L24-T28 WeakPolarHBondContact O-CB 3.37Å; L24-T28 WeakPolarHBondContact O-CG2 3.3Å; L24-T28 PolarHBondContact O-N 2.89Å; L24-T28 PolarHBondContact O-OG1 2.84Å; T28-I30 PolarHBondContact O-N 3.06Å; T28-I30 VanDerWaalsContact O-N 3.13Å; T28-V51 HydrophobicContact CG2-CB 4.48Å; T28-V51 HydrophobicContact CG2-CG1 4.27Å; T28-V51 HydrophobicContact CG2-CG2 4.16Å; T28-L54 HydrophobicContact CG2-CB 4.2Å; T28-L54 HydrophobicContact CG2-CD1 3.93Å
29	G	62.9	Low	75.9	Confident	52 Å²	52	67.7 Å²	67.7	54%	0.536	35%	0.353	S	S	.	.			trans	69.6	-3.2	-175.4	0	0	0	0	0	115.4	R25 N31	R25-G29 VanDerWaalsContact O-CA 3.22Å; R25-G29 WeakPolarHBondContact O-CA 3.43Å; R25-G29 PolarHBondContact O-N 3.33Å; G29-N31 PolarHBondContact O-N 2.86Å
30	I	75.5	Confident	76	Confident	47 Å²	47	65 Å²	65	24%	0.241	34%	0.336	C	S	.	.			trans	-76.5	112.6	-173.6	-64.5	168.9	0	0	0	110.2	T28 D32 I35 L36 L54	T28-I30 PolarHBondContact O-N 3.06Å; T28-I30 VanDerWaalsContact O-N 3.13Å; I30-D32 HydrophobicContact CG2-CB 4.37Å; I30-I35 HydrophobicContact CG2-CB 4.38Å; I30-I35 HydrophobicContact CG2-CG2 4.28Å; I30-L36 HydrophobicContact CB-CD2 3.96Å; I30-L36 HydrophobicContact CG2-CD2 4.08Å; I30-L36 HydrophobicContact CG2-CG 4.27Å; I30-L36 WeakPolarHBondContact O-CD1 3.32Å; I30-L54 HydrophobicContact CD1-CB 4.04Å; I30-L54 HydrophobicContact CD1-CD2 3.84Å; I30-L54 HydrophobicContact CD1-CG 4.36Å
31	N	73.1	Confident	76.2	Confident	120 Å²	120	69.4 Å²	69.4	64%	0.642	36%	0.355	S	S	*	.			trans	-79.7	-20.1	-179.2	-79.7	-52.4	0	0	0	114.3	R25 G29 T33	R25-N31 WeakPolarHBondContact CD-OD1 3.38Å; R25-N31 PolarHBondContact NE-OD1 3.38Å; R25-N31 PolarHBondContact NH2-O 2.92Å; G29-N31 PolarHBondContact O-N 2.86Å; N31-T33 PolarHBondContact O-N 3.17Å
32	D	82.6	Confident	76.1	Confident	76 Å²	76	73.7 Å²	73.7	41%	0.406	38%	0.378	S	S	.	.			trans	-71.1	113.1	179	-171.1	-28.1	0	0	0	111.9	I30 Q34 I35 L36	I30-D32 HydrophobicContact CG2-CB 4.37Å; D32-Q34 VanDerWaalsContact C-N 3.32Å; D32-Q34 PolarHBondContact O-N 3.19Å; D32-Q34 WeakPolarHBondContact OD1-CB 3.27Å; D32-Q34 PolarHBondContact OD1-N 2.74Å; D32-I35 HydrophobicContact CB-CB 4.26Å; D32-I35 HydrophobicContact CB-CD1 3.97Å; D32-I35 HydrophobicContact CB-CG1 4.08Å; D32-I35 PolarHBondContact O-N 3.46Å; D32-I35 PolarHBondContact OD1-N 3.03Å; D32-L36 WeakPolarHBondContact O-CG 3.49Å; D32-L36 PolarHBondContact O-N 3.15Å
33	T	76.8	Confident	76.3	Confident	62 Å²	62	70.2 Å²	70.2	38%	0.38	36%	0.36	S	S	.	.	H	α-helix	trans	-67.3	-27	-179.7	48.4	0	0	0	0	113.9	N31 Q37	N31-T33 PolarHBondContact O-N 3.17Å; T33-Q37 VanDerWaalsContact O-CB 3.28Å; T33-Q37 WeakPolarHBondContact O-CB 3.4Å; T33-Q37 WeakPolarHBondContact O-CG 3.42Å; T33-Q37 PolarHBondContact O-N 2.97Å
34	Q	77.6	Confident	76.4	Confident	148 Å²	148	74.5 Å²	74.5	69%	0.692	39%	0.385	S	S	*	.	H	α-helix	trans	-73.9	-40.6	179.8	-58.7	-167.7	20.9	0	0	111	D32 Q37 Q38	D32-Q34 VanDerWaalsContact C-N 3.32Å; D32-Q34 PolarHBondContact O-N 3.19Å; D32-Q34 WeakPolarHBondContact OD1-CB 3.27Å; D32-Q34 PolarHBondContact OD1-N 2.74Å; Q34-Q37 PolarHBondContact O-N 3.26Å; Q34-Q38 WeakPolarHBondContact O-CB 3.43Å; Q34-Q38 PolarHBondContact O-N 3.48Å
35	I	80.5	Confident	76.3	Confident	85 Å²	85	76.3 Å²	76.3	44%	0.436	40%	0.404	S	S	.	.	H	α-helix	trans	-63.2	-45.7	176	-62.6	179.6	0	0	0	110.2	I30 D32 Q38 A39 L54	I30-I35 HydrophobicContact CG2-CB 4.38Å; I30-I35 HydrophobicContact CG2-CG2 4.28Å; D32-I35 HydrophobicContact CB-CB 4.26Å; D32-I35 HydrophobicContact CB-CD1 3.97Å; D32-I35 HydrophobicContact CB-CG1 4.08Å; D32-I35 PolarHBondContact O-N 3.46Å; D32-I35 PolarHBondContact OD1-N 3.03Å; I35-Q38 PolarHBondContact O-N 3.45Å; I35-A39 WeakPolarHBondContact O-CB 3.36Å; I35-A39 PolarHBondContact O-N 3.28Å; I35-L54 HydrophobicContact CG2-CD2 3.67Å
36	L	80.6	Confident	76.3	Confident	2 Å²	2	75.4 Å²	75.4	1%	0.01	41%	0.405	C	S	.	.	H	α-helix	trans	-63.7	-42.4	175.9	-65.9	-171.2	0	0	0	112.9	L21 L24 R25 I30 D32 Q38 A39 L40 L54	L21-L36 HydrophobicContact CD2-CB 3.71Å; L21-L36 WeakPolarHBondContact O-CD1 3.2Å; L24-L36 HydrophobicContact CB-CD1 4.21Å; L24-L36 HydrophobicContact CB-CD2 3.93Å; R25-L36 HydrophobicContact CB-CD1 3.81Å; I30-L36 HydrophobicContact CB-CD2 3.96Å; I30-L36 HydrophobicContact CG2-CD2 4.08Å; I30-L36 HydrophobicContact CG2-CG 4.27Å; I30-L36 WeakPolarHBondContact O-CD1 3.32Å; D32-L36 WeakPolarHBondContact O-CG 3.49Å; D32-L36 PolarHBondContact O-N 3.15Å; L36-Q38 VanDerWaalsContact C-N 3.35Å; L36-Q38 PolarHBondContact O-N 3.47Å; L36-A39 PolarHBondContact O-N 3.03Å; L36-L40 WeakPolarHBondContact O-CB 3.41Å; L36-L40 PolarHBondContact O-N 2.82Å; L36-L54 HydrophobicContact CD2-CD1 3.5Å; L36-L54 HydrophobicContact CD2-CD2 4.22Å
37	Q	81.3	Confident	76.6	Confident	85 Å²	85	69.6 Å²	69.6	40%	0.397	38%	0.379	S	S	.	.	H	α-helix	trans	-64.4	-38.5	176.9	-79.4	176.7	6.4	0	0	112.5	L21 T33 Q34 K41	L21-Q37 HydrophobicContact CD1-CG 3.56Å; L21-Q37 HydrophobicContact CD2-CB 4.33Å; L21-Q37 HydrophobicContact CD2-CG 3.6Å; L21-Q37 HydrophobicContact CG-CG 4.23Å; T33-Q37 VanDerWaalsContact O-CB 3.28Å; T33-Q37 WeakPolarHBondContact O-CB 3.4Å; T33-Q37 WeakPolarHBondContact O-CG 3.42Å; T33-Q37 PolarHBondContact O-N 2.97Å; Q34-Q37 PolarHBondContact O-N 3.26Å; Q37-K41 VanDerWaalsContact O-CB 3.23Å; Q37-K41 WeakPolarHBondContact O-CB 3.41Å; Q37-K41 PolarHBondContact O-N 3.24Å; Q37-K41 VanDerWaalsContact O-N 3.12Å
38	Q	78.2	Confident	76.6	Confident	85 Å²	85	72.3 Å²	72.3	40%	0.397	39%	0.39	S	S	.	.	H	α-helix	trans	-69.9	-42	177.3	-173.9	56.4	32.4	0	0	111.3	Q34 I35 L36 K41 D42	Q34-Q38 WeakPolarHBondContact O-CB 3.43Å; Q34-Q38 PolarHBondContact O-N 3.48Å; I35-Q38 PolarHBondContact O-N 3.45Å; L36-Q38 VanDerWaalsContact C-N 3.35Å; L36-Q38 PolarHBondContact O-N 3.47Å; Q38-K41 PolarHBondContact O-N 2.93Å; Q38-D42 PolarHBondContact NE2-OD1 2.86Å; Q38-D42 PolarHBondContact NE2-OD2 3.03Å; Q38-D42 WeakPolarHBondContact O-CB 3.36Å; Q38-D42 VanDerWaalsContact O-CG 3.29Å; Q38-D42 PolarHBondContact O-N 3.07Å
39	A	78.4	Confident	76.6	Confident	9 Å²	9	75 Å²	75	7%	0.074	40%	0.402	C	S	.	.	H	α-helix	trans	-64.9	-42.1	175.9	0	0	0	0	0	113.4	I35 L36 K41 D42 S43 L54	I35-A39 WeakPolarHBondContact O-CB 3.36Å; I35-A39 PolarHBondContact O-N 3.28Å; L36-A39 PolarHBondContact O-N 3.03Å; A39-K41 PolarHBondContact O-N 3.37Å; A39-D42 PolarHBondContact O-N 3.04Å; A39-S43 WeakPolarHBondContact O-CB 3.28Å; A39-S43 PolarHBondContact O-N 3.15Å; A39-S43 PolarHBondContact O-OG 3.19Å; A39-L54 HydrophobicContact CB-CD1 3.93Å; A39-L54 HydrophobicContact CB-CD2 3.55Å; A39-L54 HydrophobicContact CB-CG 3.57Å
40	L	80.2	Confident	77.2	Confident	12 Å²	12	72.5 Å²	72.5	6%	0.063	38%	0.377	C	S	.	.	H	α-helix	trans	-64.9	-29.2	175.7	-173.1	66.9	0	0	0	112.4	Q17 F20 L21 L24 L36 S43 N44 G45	Q17-L40 HydrophobicContact CG-CD2 4.27Å; F20-L40 HydrophobicContact CB-CD1 4.06Å; F20-L40 HydrophobicContact CB-CD2 3.78Å; F20-L40 HydrophobicContact CG-CD1 4.48Å; L21-L40 HydrophobicContact CD2-CD2 4.16Å; L21-L40 HydrophobicContact CG-CD2 4.35Å; L24-L40 HydrophobicContact CD1-CB 3.99Å; L24-L40 HydrophobicContact CD1-CD1 4.12Å; L36-L40 WeakPolarHBondContact O-CB 3.41Å; L36-L40 PolarHBondContact O-N 2.82Å; L40-S43 PolarHBondContact O-OG 2.83Å; L40-N44 PolarHBondContact O-N 3.39Å; L40-G45 PolarHBondContact O-N 2.81Å
41	K	78.4	Confident	77.3	Confident	144 Å²	144	71.8 Å²	71.8	63%	0.626	37%	0.374	S	S	*	.	H	α-helix	trans	-77.8	-43	175.8	-178.5	-176.2	173.9	-167.9	0	112	Q37 Q38 A39 S43 N44	Q37-K41 VanDerWaalsContact O-CB 3.23Å; Q37-K41 WeakPolarHBondContact O-CB 3.41Å; Q37-K41 PolarHBondContact O-N 3.24Å; Q37-K41 VanDerWaalsContact O-N 3.12Å; Q38-K41 PolarHBondContact O-N 2.93Å; A39-K41 PolarHBondContact O-N 3.37Å; K41-S43 VanDerWaalsContact C-N 3.35Å; K41-N44 WeakPolarHBondContact O-CA 3.44Å; K41-N44 PolarHBondContact O-N 3.3Å
42	D	75.6	Confident	77.5	Confident	96 Å²	96	68.2 Å²	68.2	51%	0.513	36%	0.362	S	S	.	.	H	α-helix	trans	-73.5	-26.6	178.9	-67.1	-19.4	0	0	0	112.3	Q38 A39 N44	Q38-D42 PolarHBondContact NE2-OD1 2.86Å; Q38-D42 PolarHBondContact NE2-OD2 3.03Å; Q38-D42 WeakPolarHBondContact O-CB 3.36Å; Q38-D42 VanDerWaalsContact O-CG 3.29Å; Q38-D42 PolarHBondContact O-N 3.07Å; A39-D42 PolarHBondContact O-N 3.04Å; D42-N44 PolarHBondContact O-N 2.99Å
43	S	79.8	Confident	77	Confident	8 Å²	8	69.7 Å²	69.7	6%	0.056	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-0.6	166.5	80.4	0	0	0	0	114	A39 L40 K41 G45 N46	A39-S43 WeakPolarHBondContact O-CB 3.28Å; A39-S43 PolarHBondContact O-N 3.15Å; A39-S43 PolarHBondContact O-OG 3.19Å; L40-S43 PolarHBondContact O-OG 2.83Å; K41-S43 VanDerWaalsContact C-N 3.35Å; S43-G45 PolarHBondContact O-N 3.17Å; S43-N46 VanDerWaalsContact CB-O 3.24Å; S43-N46 WeakPolarHBondContact CB-O 3.45Å; S43-N46 PolarHBondContact O-N 3.36Å; S43-N46 VanDerWaalsContact O-N 3.15Å; S43-N46 PolarHBondContact OG-N 2.93Å; S43-N46 PolarHBondContact OG-O 3.33Å
44	N	75.3	Confident	76.9	Confident	158 Å²	158	67.7 Å²	67.7	85%	0.845	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.2	33.7	-178.8	-146.2	22.5	0	0	0	113.6	L40 K41 D42	L40-N44 PolarHBondContact O-N 3.39Å; K41-N44 WeakPolarHBondContact O-CA 3.44Å; K41-N44 PolarHBondContact O-N 3.3Å; D42-N44 PolarHBondContact O-N 2.99Å
45	G	69.3	Low	76.5	Confident	38 Å²	38	64.7 Å²	64.7	39%	0.392	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.5	-0.5	-179.9	0	0	0	0	0	115.9	L40 S43	L40-G45 PolarHBondContact O-N 2.81Å; S43-G45 PolarHBondContact O-N 3.17Å
46	N	78.3	Confident	75.5	Confident	64 Å²	64	64 Å²	64	34%	0.342	35%	0.35	S	S	.	.			trans	-80.2	125.1	172.5	179.5	-57.4	0	0	0	110.4	S43 E48 L49 A50	S43-N46 VanDerWaalsContact CB-O 3.24Å; S43-N46 WeakPolarHBondContact CB-O 3.45Å; S43-N46 PolarHBondContact O-N 3.36Å; S43-N46 VanDerWaalsContact O-N 3.15Å; S43-N46 PolarHBondContact OG-N 2.93Å; S43-N46 PolarHBondContact OG-O 3.33Å; N46-E48 PolarHBondContact OD1-N 3Å; N46-L49 HydrophobicContact CB-CB 4.14Å; N46-L49 HydrophobicContact CB-CD1 4.03Å; N46-L49 PolarHBondContact OD1-N 3.33Å; N46-A50 WeakPolarHBondContact O-CB 3.3Å; N46-A50 PolarHBondContact O-N 3.46Å; N46-A50 VanDerWaalsContact O-N 3.09Å
47	L	77.3	Confident	73.8	Confident	43 Å²	43	72.1 Å²	72.1	23%	0.225	39%	0.386	C	S	.	.	H	α-helix	trans	-72.1	-43.6	-174.5	-164.5	71	0	0	0	112.7	F20 Q23 L24 I27 L49 A50 V51	F20-L47 HydrophobicContact CD1-CD1 4.04Å; Q23-L47 HydrophobicContact CB-CD2 4.47Å; L24-L47 HydrophobicContact CD1-CD1 4.43Å; L24-L47 HydrophobicContact CD2-CD1 3.56Å; L24-L47 HydrophobicContact CD2-CG 4.27Å; L24-L47 HydrophobicContact CG-CD1 3.62Å; I27-L47 HydrophobicContact CD1-CD2 4.06Å; L47-L49 PolarHBondContact O-N 2.86Å; L47-A50 WeakPolarHBondContact O-CB 3.34Å; L47-A50 PolarHBondContact O-N 3.44Å; L47-A50 VanDerWaalsContact O-N 3.17Å; L47-V51 WeakPolarHBondContact O-CG2 3.28Å; L47-V51 PolarHBondContact O-N 3.12Å
48	E	72.9	Confident	71.8	Confident	154 Å²	154	75.9 Å²	75.9	72%	0.72	41%	0.408	S	S	*	.	H	α-helix	trans	-62.8	-43.1	179.6	-59	173.8	150	0	0	111.2	N46 V51 A52	N46-E48 PolarHBondContact OD1-N 3Å; E48-V51 PolarHBondContact O-N 2.87Å; E48-A52 WeakPolarHBondContact O-CB 3.28Å; E48-A52 PolarHBondContact O-N 3.01Å
49	L	73.8	Confident	69.6	Low	87 Å²	87	75.7 Å²	75.7	46%	0.455	42%	0.421	S	S	.	.	H	α-helix	trans	-66	-36.7	174.1	-84.5	163.4	0	0	0	112.2	N46 L47 A52 F53	N46-L49 HydrophobicContact CB-CB 4.14Å; N46-L49 HydrophobicContact CB-CD1 4.03Å; N46-L49 PolarHBondContact OD1-N 3.33Å; L47-L49 PolarHBondContact O-N 2.86Å; L49-A52 PolarHBondContact O-N 3.29Å; L49-F53 HydrophobicContact CD2-CE2 4.5Å; L49-F53 WeakPolarHBondContact O-CB 2.7Å; L49-F53 WeakPolarHBondContact O-CD2 3.24Å; L49-F53 WeakPolarHBondContact O-CG 3.1Å; L49-F53 PolarHBondContact O-N 3.15Å
50	A	76.4	Confident	67.2	Low	0 Å²	0	84.2 Å²	84.2	0%	0	46%	0.457	C	S	.	.	H	α-helix	trans	-64.8	-45.8	173.7	0	0	0	0	0	111.6	L24 N46 L47 A52 F53 L54	L24-A50 HydrophobicContact CD1-CB 3.86Å; L24-A50 HydrophobicContact CD2-CB 3.79Å; L24-A50 HydrophobicContact CG-CB 4.47Å; N46-A50 WeakPolarHBondContact O-CB 3.3Å; N46-A50 PolarHBondContact O-N 3.46Å; N46-A50 VanDerWaalsContact O-N 3.09Å; L47-A50 WeakPolarHBondContact O-CB 3.34Å; L47-A50 PolarHBondContact O-N 3.44Å; L47-A50 VanDerWaalsContact O-N 3.17Å; A50-A52 VanDerWaalsContact C-N 3.32Å; A50-A52 PolarHBondContact O-N 2.99Å; A50-F53 PolarHBondContact O-N 2.96Å; A50-L54 WeakPolarHBondContact O-CB 3.37Å; A50-L54 WeakPolarHBondContact O-CD1 2.99Å; A50-L54 VanDerWaalsContact O-CG 3.23Å; A50-L54 WeakPolarHBondContact O-CG 3.24Å; A50-L54 PolarHBondContact O-N 3.48Å
51	V	77.6	Confident	64.9	Low	31 Å²	31	90.7 Å²	90.7	19%	0.188	50%	0.497	C	S	.	.	H	α-helix	trans	-58.9	-44	174.1	173.3	0	0	0	0	110.5	L24 I27 T28 L47 E48 L54 T55	L24-V51 HydrophobicContact CD2-CG2 3.58Å; I27-V51 HydrophobicContact CB-CG2 4.32Å; I27-V51 HydrophobicContact CG2-CB 4.5Å; I27-V51 HydrophobicContact CG2-CG1 3.95Å; I27-V51 HydrophobicContact CG2-CG2 3.64Å; T28-V51 HydrophobicContact CG2-CB 4.48Å; T28-V51 HydrophobicContact CG2-CG1 4.27Å; T28-V51 HydrophobicContact CG2-CG2 4.16Å; L47-V51 WeakPolarHBondContact O-CG2 3.28Å; L47-V51 PolarHBondContact O-N 3.12Å; E48-V51 PolarHBondContact O-N 2.87Å; V51-L54 PolarHBondContact O-N 3.42Å; V51-T55 HydrophobicContact CG1-CG2 4.34Å; V51-T55 WeakPolarHBondContact O-CB 3.38Å; V51-T55 WeakPolarHBondContact O-CG2 3.43Å; V51-T55 PolarHBondContact O-N 3.46Å; V51-T55 PolarHBondContact O-OG1 3.36Å
52	A	75.7	Confident	62.4	Low	46 Å²	46	88.6 Å²	88.6	38%	0.38	50%	0.498	S	S	.	.	H	α-helix	trans	-63	-42.4	176.3	0	0	0	0	0	112.5	E48 L49 A50 L54 T55 A56	E48-A52 WeakPolarHBondContact O-CB 3.28Å; E48-A52 PolarHBondContact O-N 3.01Å; L49-A52 PolarHBondContact O-N 3.29Å; A50-A52 VanDerWaalsContact C-N 3.32Å; A50-A52 PolarHBondContact O-N 2.99Å; A52-L54 VanDerWaalsContact C-N 3.34Å; A52-L54 PolarHBondContact O-N 3.39Å; A52-T55 PolarHBondContact O-OG1 3.28Å; A52-A56 WeakPolarHBondContact O-CB 3.48Å; A52-A56 PolarHBondContact O-N 3.08Å
53	F	72.5	Confident	59.9	Low	106 Å²	106	92.8 Å²	92.8	47%	0.465	52%	0.515	S	S	.	.	H	α-helix	trans	-66.2	-33.3	176	-78.7	-54.3	0	0	0	113.6	L49 A50	L49-F53 HydrophobicContact CD2-CE2 4.5Å; L49-F53 WeakPolarHBondContact O-CB 2.7Å; L49-F53 WeakPolarHBondContact O-CD2 3.24Å; L49-F53 WeakPolarHBondContact O-CG 3.1Å; L49-F53 PolarHBondContact O-N 3.15Å; A50-F53 PolarHBondContact O-N 2.96Å
54	L	76.1	Confident	57.5	Low	21 Å²	21	100 Å²	100	11%	0.11	55%	0.548	C	S	.	.	H	α-helix	trans	-75.4	-40.3	178	-70.4	166.7	0	0	0	112.1	L24 T28 I30 I35 L36 A39 A50 V51 A52	L24-L54 HydrophobicContact CD1-CD1 4.43Å; L24-L54 HydrophobicContact CD2-CD1 4.22Å; T28-L54 HydrophobicContact CG2-CB 4.2Å; T28-L54 HydrophobicContact CG2-CD1 3.93Å; I30-L54 HydrophobicContact CD1-CB 4.04Å; I30-L54 HydrophobicContact CD1-CD2 3.84Å; I30-L54 HydrophobicContact CD1-CG 4.36Å; I35-L54 HydrophobicContact CG2-CD2 3.67Å; L36-L54 HydrophobicContact CD2-CD1 3.5Å; L36-L54 HydrophobicContact CD2-CD2 4.22Å; A39-L54 HydrophobicContact CB-CD1 3.93Å; A39-L54 HydrophobicContact CB-CD2 3.55Å; A39-L54 HydrophobicContact CB-CG 3.57Å; A50-L54 WeakPolarHBondContact O-CB 3.37Å; A50-L54 WeakPolarHBondContact O-CD1 2.99Å; A50-L54 VanDerWaalsContact O-CG 3.23Å; A50-L54 WeakPolarHBondContact O-CG 3.24Å; A50-L54 PolarHBondContact O-N 3.48Å; V51-L54 PolarHBondContact O-N 3.42Å; A52-L54 VanDerWaalsContact C-N 3.34Å; A52-L54 PolarHBondContact O-N 3.39Å
55	T	68.4	Low	55	Low	85 Å²	85	100 Å²	100	52%	0.521	54%	0.542	S	S	.	.	H	α-helix	trans	-83.5	-38.6	-177.3	52.4	0	0	0	0	113.5	V51 A52 K57	V51-T55 HydrophobicContact CG1-CG2 4.34Å; V51-T55 WeakPolarHBondContact O-CB 3.38Å; V51-T55 WeakPolarHBondContact O-CG2 3.43Å; V51-T55 PolarHBondContact O-N 3.46Å; V51-T55 PolarHBondContact O-OG1 3.36Å; A52-T55 PolarHBondContact O-OG1 3.28Å; T55-K57 PolarHBondContact O-N 3.02Å
56	A	59.3	Low	52.9	Low	70 Å²	70	106.4 Å²	106.4	58%	0.579	56%	0.562	S	S	*	*	G	3₁₀ helix	trans	-71	-11.3	-175.3	0	0	0	0	0	114.8	A52	A52-A56 WeakPolarHBondContact O-CB 3.48Å; A52-A56 PolarHBondContact O-N 3.08Å
57	K	45.5	Very low	50.4	Low	172 Å²	172	107.2 Å²	107.2	75%	0.748	58%	0.578	S	S	*	*	G	3₁₀ helix	trans	-81.6	-13	-174	-104.8	-178.4	177.1	176.6	0	115.7	T55 A59	T55-K57 PolarHBondContact O-N 3.02Å; K57-A59 PolarHBondContact O-N 3.23Å
58	N	39.6	Very low	48	Very low	164 Å²	164	110.1 Å²	110.1	88%	0.877	60%	0.598	S	S	*	*	G	3₁₀ helix	trans	-78.8	-4.2	174.4	-72.7	-6.2	0	0	0	113.4
59	A	32.3	Very low	45.7	Very low	81 Å²	81	111.8 Å²	111.8	67%	0.669	60%	0.599	S	S	*	*	S	Bend	trans	-103.7	50.5	-178.6	0	0	0	0	0	113.5	K57	K57-A59 PolarHBondContact O-N 3.23Å
60	K	27.9	Very low	43.6	Very low	188 Å²	188	115.3 Å²	115.3	82%	0.817	61%	0.607	S	S	*	*			trans	-168.8	109.5	163	-107.8	149.2	-169.6	170.4	0	113	P62	K60-P62 WeakPolarHBondContact O-CD 3.43Å
61	T	31.6	Very low	41.2	Very low	148 Å²	148	122.4 Å²	122.4	91%	0.908	64%	0.64	S	S	*	*			trans	-90.1	125	156.2	32.8	0	0	0	0	110
62	P	25.7	Very low	38.6	Very low	100 Å²	100	126.7 Å²	126.7	65%	0.649	67%	0.666	S	S	*	*			trans	-133.4	117.7	153.6	33	-17.7	0	0	0	112.7	K60	K60-P62 WeakPolarHBondContact O-CD 3.43Å
63	Q	22.3	Very low	36.2	Very low	184 Å²	184	129.2 Å²	129.2	86%	0.86	69%	0.687	S	S	*	*			trans	66.9	127	144.2	-56.9	-179.4	-66.5	0	0	120.8
64	Q	28.9	Very low	33.7	Very low	161 Å²	161	132.2 Å²	132.2	75%	0.752	71%	0.707	S	S	*	*			trans	-20.6	154.4	130.8	-72.4	153.3	-98.1	0	0	114.7
65	E	23.4	Very low	31.7	Very low	156 Å²	156	137.4 Å²	137.4	73%	0.729	74%	0.742	S	S	*	*			cis	-151.8	-168.9	26.6	-123.7	132.9	-140.4	0	0	107.8
66	E	24.7	Very low	29.5	Very low	173 Å²	173	136.6 Å²	136.6	81%	0.808	75%	0.751	S	S	*	*			cis	-166.7	-172.3	25.6	-148.2	-174.6	175.4	0	0	110.1
67	A	27.1	Very low	27.9	Very low	82 Å²	82	140.2 Å²	140.2	68%	0.678	76%	0.761	S	S	*	*			trans	80.5	136.9	147.7	0	0	0	0	0	121.8
68	T	26.7	Very low	26.8	Very low	104 Å²	104	137.5 Å²	137.5	64%	0.638	75%	0.754	S	S	*	*			cis	-164	134.6	-25.5	-48.2	0	0	0	0	109
69	Y	24.2	Very low	26	Very low	188 Å²	188	138.8 Å²	138.8	74%	0.737	75%	0.747	S	S	*	*				177.9	106.3	121.3	-114.2	-103.7	0	0	0	115.8
70	Y	30	Very low	25.6	Very low	162 Å²	162	143.6 Å²	143.6	64%	0.635	75%	0.749	S	S	*	*			trans	66.4	139.1	138.3	-79	-121.5	0	0	0	120
71	Q	25.5	Very low	25.4	Very low	149 Å²	149	141.1 Å²	141.1	70%	0.696	74%	0.743	S	S	*	*			cis	-160.7	149.7	3.7	-151	179.8	-17.6	0	0	115.8
72	T	24.1	Very low	25	Very low	120 Å²	120	139 Å²	139	74%	0.736	74%	0.735	S	S	*	*			trans	83.7	127.1	146.4	13.3	0	0	0	0	124.7
73	A	23.7	Very low	24.9	Very low	99 Å²	99	141 Å²	141	82%	0.818	75%	0.745	S	S	*	*			trans	103.4	116.3	136.2	0	0	0	0	0	121.8
74	L	20.3	Very low	24.9	Very low	170 Å²	170	135.8 Å²	135.8	89%	0.89	74%	0.74	S	S	*	*			trans	-62.3	174.5	169	-62.9	148.7	0	0	0	114.3
75	P	34.8	Very low	24.9	Very low	129 Å²	129	133.6 Å²	133.6	84%	0.838	74%	0.742	S	S	*	*			cis	-125.1	-165.9	-6.8	39.5	-21.4	0	0	0	112.7
76	G	23	Very low	25	Very low	68 Å²	68	135.1 Å²	135.1	70%	0.701	75%	0.75	S	S	*	*			cis	147.8	159	-13.1	0	0	0	0	0	115.4
77	N	24.2	Very low	25.2	Very low	147 Å²	147	130.8 Å²	130.8	79%	0.786	74%	0.743	S	S	*	*			trans	78	125.4	165.8	-85.4	59.6	0	0	0	124.2
78	D	22.4	Very low	25.2	Very low	115 Å²	115	133.5 Å²	133.5	62%	0.615	75%	0.746	S	S	*	*				81.6	115.9	127.8	-77.9	-20.4	0	0	0	126.7
79	R	24.2	Very low	25.6	Very low	191 Å²	191	134 Å²	134	72%	0.721	75%	0.749	S	S	*	*				82	133.9	119.8	-68.3	166.2	95.7	161.8	6.7	124
80	Y	23	Very low	26	Very low	182 Å²	182	132.8 Å²	132.8	71%	0.714	76%	0.756	S	S	*	*			trans	84.7	118.3	135.8	-95.3	-127.9	0	0	0	122.1
81	I	23.8	Very low	26.4	Very low	135 Å²	135	131.5 Å²	131.5	69%	0.692	76%	0.764	S	S	*	*				25.4	121.3	125.4	-54	162.3	0	0	0	117.7
82	S	23.1	Very low	27.3	Very low	105 Å²	105	128.3 Å²	128.3	73%	0.734	75%	0.751	S	S	*	*				175.9	138	110.2	-172.8	0	0	0	0	115.5
83	V	24	Very low	28.3	Very low	142 Å²	142	128.4 Å²	128.4	86%	0.861	75%	0.747	S	S	*	*			trans	-8.9	136.6	147.2	-172.1	0	0	0	0	117.8
84	G	22.1	Very low	29.1	Very low	73 Å²	73	129.6 Å²	129.6	75%	0.753	74%	0.739	S	S	*	*			trans	174.9	113.1	157.5	0	0	0	0	0	115.3
85	S	29.9	Very low	30.3	Very low	116 Å²	116	127.6 Å²	127.6	81%	0.811	73%	0.734	S	S	*	*			trans	-79	140.8	170.3	169.7	0	0	0	0	111.6
86	Q	24	Very low	30.7	Very low	188 Å²	188	124.2 Å²	124.2	88%	0.879	72%	0.723	S	S	*	*				-169.5	168.6	123.5	-106.6	172.6	-21.2	0	0	112.5
87	A	29.1	Very low	31.9	Very low	81 Å²	81	128.8 Å²	128.8	67%	0.669	73%	0.731	S	S	*	*			trans	-70.9	168.8	172.9	0	0	0	0	0	110.3
88	D	27	Very low	33	Very low	139 Å²	139	128 Å²	128	74%	0.743	73%	0.727	S	S	*	*				-158.6	172.4	58.9	-99.9	-43.6	0	0	0	115.3
89	T	35.6	Very low	34.4	Very low	115 Å²	115	130.4 Å²	130.4	71%	0.706	73%	0.732	S	S	*	*			trans	-15.4	133.1	167.8	58.1	0	0	0	0	118.9
90	N	32.3	Very low	35.8	Very low	163 Å²	163	127.2 Å²	127.2	87%	0.872	73%	0.729	S	S	*	*			trans	-129.1	100.3	147.2	-81.8	-60.3	0	0	0	108.8
91	V	38.8	Very low	37.1	Very low	134 Å²	134	121.3 Å²	121.3	81%	0.812	71%	0.71	S	S	*	*			trans	-109.7	130.2	166.9	178.5	0	0	0	0	106.5
92	I	43.1	Very low	38.6	Very low	82 Å²	82	120.1 Å²	120.1	42%	0.421	71%	0.705	S	S	.	*			trans	-104.1	123.7	178.2	-60.8	176	0	0	0	107.7	L94 L108	I92-L94 HydrophobicContact CG2-CD2 4.25Å; I92-L94 HydrophobicContact CG2-CG 4.44Å; I92-L108 HydrophobicContact CD1-CD1 3.97Å
93	D	45	Very low	40	Very low	122 Å²	122	121.3 Å²	121.3	65%	0.652	70%	0.698	S	S	*	*			trans	-84.1	140	171.1	-165.1	-14.5	0	0	0	109.2	T95	D93-T95 PolarHBondContact OD1-N 2.95Å; D93-T95 PolarHBondContact OD1-OG1 3.15Å
94	L	41.5	Very low	41.6	Very low	124 Å²	124	121.8 Å²	121.8	65%	0.649	69%	0.685	S	S	*	*			trans	-122	24.1	-173.9	-72.2	173.6	0	0	0	112.7	I92 G96	I92-L94 HydrophobicContact CG2-CD2 4.25Å; I92-L94 HydrophobicContact CG2-CG 4.44Å; L94-G96 VanDerWaalsContact C-N 3.33Å
95	T	45.8	Very low	43.1	Very low	128 Å²	128	120 Å²	120	79%	0.785	66%	0.663	S	S	*	*			trans	-91.7	23.8	173	64.7	0	0	0	0	114.1	D93	D93-T95 PolarHBondContact OD1-N 2.95Å; D93-T95 PolarHBondContact OD1-OG1 3.15Å
96	G	42.3	Very low	44.2	Very low	59 Å²	59	118.6 Å²	118.6	61%	0.608	65%	0.646	S	S	*	*	S	Bend	trans	-127.4	138.1	180	0	0	0	0	0	113	L94 D98	L94-G96 VanDerWaalsContact C-N 3.33Å; G96-D98 PolarHBondContact O-N 3.03Å; G96-D98 VanDerWaalsContact O-N 3.09Å
97	D	49	Very low	45.8	Very low	164 Å²	164	112.4 Å²	112.4	88%	0.877	63%	0.627	S	S	*	*			trans	-84.6	32.8	-172.3	-160.3	23.6	0	0	0	113.7
98	D	47.2	Very low	47	Very low	129 Å²	129	113.4 Å²	113.4	69%	0.69	62%	0.62	S	S	*	*			trans	-97.5	116.1	-177.5	-92.3	-45.1	0	0	0	112.1	G96 D100 D101	G96-D98 PolarHBondContact O-N 3.03Å; G96-D98 VanDerWaalsContact O-N 3.09Å; D98-D100 VanDerWaalsContact C-N 3.25Å; D98-D100 PolarHBondContact O-N 3.33Å; D98-D100 VanDerWaalsContact O-N 3.17Å; D98-D101 PolarHBondContact O-N 3.04Å
99	K	50.9	Low	48.1	Very low	166 Å²	166	110.4 Å²	110.4	72%	0.722	61%	0.61	S	S	*	*	H	α-helix	trans	-64.7	-23.9	-170.9	-69	-179.1	178.5	175.7	0	114.8	D101 Q103	K99-D101 VanDerWaalsContact C-N 3.32Å; K99-D101 PolarHBondContact O-N 2.91Å; K99-Q103 PolarHBondContact O-N 3.01Å; K99-Q103 VanDerWaalsContact O-N 3.09Å
100	D	54.3	Low	48.7	Very low	125 Å²	125	109.8 Å²	109.8	67%	0.668	60%	0.602	S	S	*	*	H	α-helix	trans	-69.4	-27.3	-178.2	-80.6	-8.8	0	0	0	112.9	D98 Q103 R104	D98-D100 VanDerWaalsContact C-N 3.25Å; D98-D100 PolarHBondContact O-N 3.33Å; D98-D100 VanDerWaalsContact O-N 3.17Å; D100-Q103 WeakPolarHBondContact O-CB 3.44Å; D100-Q103 PolarHBondContact O-N 3.35Å; D100-R104 WeakPolarHBondContact O-CG 3.2Å; D100-R104 PolarHBondContact O-N 3.13Å
101	D	50.9	Low	49.5	Very low	57 Å²	57	104.7 Å²	104.7	31%	0.305	58%	0.582	S	S	.	*	H	α-helix	trans	-82.5	-29.3	178.5	-75.8	-43.5	0	0	0	112.8	D98 K99 Q103 R104 A105	D98-D101 PolarHBondContact O-N 3.04Å; K99-D101 VanDerWaalsContact C-N 3.32Å; K99-D101 PolarHBondContact O-N 2.91Å; D101-Q103 VanDerWaalsContact C-N 3.32Å; D101-R104 PolarHBondContact O-N 3.4Å; D101-R104 WeakPolarHBondContact OD1-CD 3.44Å; D101-R104 IonicContact OD1-CZ 2.88Å; D101-R104 IonicContact OD1-NE 3.66Å; D101-R104 IonicContact OD1-NH1 2.7Å; D101-R104 PolarHBondContact OD1-NH1 2.82Å; D101-A105 WeakPolarHBondContact O-CB 3.26Å; D101-A105 PolarHBondContact O-N 3.41Å
102	L	54.4	Low	50	Low	111 Å²	111	104.7 Å²	104.7	58%	0.581	57%	0.573	S	S	*	*	H	α-helix	trans	-63.8	-40.5	163.1	-179.2	62.3	0	0	0	110.8	R104 A105 I106	L102-R104 VanDerWaalsContact C-N 3.28Å; L102-R104 PolarHBondContact O-N 2.96Å; L102-A105 PolarHBondContact O-N 3.4Å; L102-I106 HydrophobicContact CD1-CD1 4.18Å; L102-I106 HydrophobicContact CD1-CG1 4.44Å; L102-I106 HydrophobicContact CG-CD1 4.03Å; L102-I106 WeakPolarHBondContact O-CB 3.15Å; L102-I106 WeakPolarHBondContact O-CG1 3.42Å; L102-I106 PolarHBondContact O-N 3.28Å
103	Q	53.6	Low	50.1	Low	129 Å²	129	103.8 Å²	103.8	60%	0.603	57%	0.574	S	S	*	*	H	α-helix	trans	-60.5	-38	174.5	-144.9	81.5	11	0	0	111.6	K99 D100 D101 A107	K99-Q103 PolarHBondContact O-N 3.01Å; K99-Q103 VanDerWaalsContact O-N 3.09Å; D100-Q103 WeakPolarHBondContact O-CB 3.44Å; D100-Q103 PolarHBondContact O-N 3.35Å; D101-Q103 VanDerWaalsContact C-N 3.32Å; Q103-A107 VanDerWaalsContact O-CB 3.3Å; Q103-A107 WeakPolarHBondContact O-CB 3.5Å; Q103-A107 PolarHBondContact O-N 3.1Å
104	R	56.1	Low	50.1	Low	152 Å²	152	102 Å²	102	57%	0.574	56%	0.564	S	S	*	*	H	α-helix	trans	-71.6	-41.7	173.9	-78.6	164.9	167.3	179.7	0.4	113.5	D100 D101 L102 I106 A107 L108	D100-R104 WeakPolarHBondContact O-CG 3.2Å; D100-R104 PolarHBondContact O-N 3.13Å; D101-R104 PolarHBondContact O-N 3.4Å; D101-R104 WeakPolarHBondContact OD1-CD 3.44Å; D101-R104 IonicContact OD1-CZ 2.88Å; D101-R104 IonicContact OD1-NE 3.66Å; D101-R104 IonicContact OD1-NH1 2.7Å; D101-R104 PolarHBondContact OD1-NH1 2.82Å; L102-R104 VanDerWaalsContact C-N 3.28Å; L102-R104 PolarHBondContact O-N 2.96Å; R104-I106 VanDerWaalsContact C-N 3.31Å; R104-I106 PolarHBondContact O-N 3.28Å; R104-A107 PolarHBondContact O-N 2.98Å; R104-L108 WeakPolarHBondContact O-CB 3.44Å; R104-L108 WeakPolarHBondContact O-CG 3.27Å; R104-L108 PolarHBondContact O-N 3.46Å
105	A	54.3	Low	50.3	Low	35 Å²	35	103.8 Å²	103.8	29%	0.289	56%	0.563	S	S	.	*	H	α-helix	trans	-60.4	-43.5	176.1	0	0	0	0	0	110.8	D101 L102 L108 S109	D101-A105 WeakPolarHBondContact O-CB 3.26Å; D101-A105 PolarHBondContact O-N 3.41Å; L102-A105 PolarHBondContact O-N 3.4Å; A105-L108 PolarHBondContact O-N 3.28Å; A105-S109 VanDerWaalsContact O-CB 3.31Å; A105-S109 WeakPolarHBondContact O-CB 3.46Å; A105-S109 PolarHBondContact O-N 2.96Å
106	I	53.7	Low	50.1	Low	88 Å²	88	100.2 Å²	100.2	45%	0.451	55%	0.546	S	S	.	.	H	α-helix	trans	-63.8	-43.6	173.1	-67.6	167.3	0	0	0	111	L102 R104 L108 L110	L102-I106 HydrophobicContact CD1-CD1 4.18Å; L102-I106 HydrophobicContact CD1-CG1 4.44Å; L102-I106 HydrophobicContact CG-CD1 4.03Å; L102-I106 WeakPolarHBondContact O-CB 3.15Å; L102-I106 WeakPolarHBondContact O-CG1 3.42Å; L102-I106 PolarHBondContact O-N 3.28Å; R104-I106 VanDerWaalsContact C-N 3.31Å; R104-I106 PolarHBondContact O-N 3.28Å; I106-L108 PolarHBondContact O-N 3.48Å; I106-L110 HydrophobicContact CG2-CD1 3.84Å; I106-L110 HydrophobicContact CG2-CG 4.45Å; I106-L110 VanDerWaalsContact O-CB 3.31Å; I106-L110 WeakPolarHBondContact O-CB 3.36Å; I106-L110 VanDerWaalsContact O-CG 3.28Å; I106-L110 WeakPolarHBondContact O-CG 3.43Å; I106-L110 PolarHBondContact O-N 3.47Å
107	A	56.3	Low	50	Low	58 Å²	58	102.6 Å²	102.6	48%	0.479	54%	0.54	S	S	.	.	H	α-helix	trans	-66	-36	178.1	0	0	0	0	0	113.4	Q103 R104 A111	Q103-A107 VanDerWaalsContact O-CB 3.3Å; Q103-A107 WeakPolarHBondContact O-CB 3.5Å; Q103-A107 PolarHBondContact O-N 3.1Å; R104-A107 PolarHBondContact O-N 2.98Å; A107-A111 VanDerWaalsContact O-CB 3.26Å; A107-A111 WeakPolarHBondContact O-CB 3.33Å; A107-A111 PolarHBondContact O-N 3.24Å
108	L	53.9	Low	49.6	Very low	102 Å²	102	104.8 Å²	104.8	53%	0.534	54%	0.536	S	S	.	.	H	α-helix	trans	-70.6	-47.5	175.1	-76.8	166.2	0	0	0	111	I92 R104 A105 I106 L110 A111 E112	I92-L108 HydrophobicContact CD1-CD1 3.97Å; R104-L108 WeakPolarHBondContact O-CB 3.44Å; R104-L108 WeakPolarHBondContact O-CG 3.27Å; R104-L108 PolarHBondContact O-N 3.46Å; A105-L108 PolarHBondContact O-N 3.28Å; I106-L108 PolarHBondContact O-N 3.48Å; L108-L110 VanDerWaalsContact C-N 3.33Å; L108-L110 PolarHBondContact O-N 3.3Å; L108-A111 CarbonylContact O-C 3.59Å; L108-A111 WeakPolarHBondContact O-CA 3.42Å; L108-A111 WeakPolarHBondContact O-CB 3.46Å; L108-A111 PolarHBondContact O-N 2.82Å; L108-E112 WeakPolarHBondContact O-CB 3.43Å; L108-E112 PolarHBondContact O-N 3.27Å
109	S	51.1	Low	49.4	Very low	76 Å²	76	106.3 Å²	106.3	53%	0.531	54%	0.539	S	S	.	.	H	α-helix	trans	-60.3	-41.4	176.1	-177.2	0	0	0	0	112.1	A105 E112 S113	A105-S109 VanDerWaalsContact O-CB 3.31Å; A105-S109 WeakPolarHBondContact O-CB 3.46Å; A105-S109 PolarHBondContact O-N 2.96Å; S109-E112 PolarHBondContact O-N 3.08Å; S109-S113 WeakPolarHBondContact O-CB 3.39Å; S109-S113 PolarHBondContact O-N 2.22Å
110	L	48.4	Very low	49.3	Very low	102 Å²	102	102.3 Å²	102.3	53%	0.534	53%	0.528	S	S	.	.	H	α-helix	trans	-65.2	-37.3	171.6	-74.4	169.9	0	0	0	112.5	I106 L108 E112 N114	I106-L110 HydrophobicContact CG2-CD1 3.84Å; I106-L110 HydrophobicContact CG2-CG 4.45Å; I106-L110 VanDerWaalsContact O-CB 3.31Å; I106-L110 WeakPolarHBondContact O-CB 3.36Å; I106-L110 VanDerWaalsContact O-CG 3.28Å; I106-L110 WeakPolarHBondContact O-CG 3.43Å; I106-L110 PolarHBondContact O-N 3.47Å; L108-L110 VanDerWaalsContact C-N 3.33Å; L108-L110 PolarHBondContact O-N 3.3Å; L110-E112 VanDerWaalsContact C-N 3.33Å; L110-N114 VanDerWaalsContact O-CB 3.3Å; L110-N114 WeakPolarHBondContact O-CB 3.41Å; L110-N114 PolarHBondContact O-N 3.21Å; L110-N114 PolarHBondContact O-ND2 3Å
111	A	48.2	Very low	48.5	Very low	55 Å²	55	98.9 Å²	98.9	46%	0.455	52%	0.523	S	S	.	.	H	α-helix	trans	-69.9	-29.7	175.4	0	0	0	0	0	112.9	A107 L108 N114 R115	A107-A111 VanDerWaalsContact O-CB 3.26Å; A107-A111 WeakPolarHBondContact O-CB 3.33Å; A107-A111 PolarHBondContact O-N 3.24Å; L108-A111 CarbonylContact O-C 3.59Å; L108-A111 WeakPolarHBondContact O-CA 3.42Å; L108-A111 WeakPolarHBondContact O-CB 3.46Å; L108-A111 PolarHBondContact O-N 2.82Å; A111-N114 CarbonylContact O-C 3.57Å; A111-R115 PolarHBondContact O-N 3.14Å
112	E	50.2	Low	48.2	Very low	135 Å²	135	99.7 Å²	99.7	63%	0.631	53%	0.526	S	S	*	.	H	α-helix	trans	-77.6	-44.3	178.9	-164.5	150.8	-116	0	0	111.5	L108 S109 L110 N114 R115 A116	L108-E112 WeakPolarHBondContact O-CB 3.43Å; L108-E112 PolarHBondContact O-N 3.27Å; S109-E112 PolarHBondContact O-N 3.08Å; L110-E112 VanDerWaalsContact C-N 3.33Å; E112-N114 VanDerWaalsContact C-N 3.33Å; E112-N114 PolarHBondContact O-N 3.12Å; E112-R115 WeakPolarHBondContact O-CA 3.41Å; E112-R115 VanDerWaalsContact O-CB 3.25Å; E112-R115 WeakPolarHBondContact O-CB 3.43Å; E112-R115 PolarHBondContact O-N 3.21Å; E112-A116 PolarHBondContact O-N 2.88Å
113	S	44.8	Very low	48.1	Very low	63 Å²	63	96.7 Å²	96.7	44%	0.441	51%	0.513	S	S	.	.	H	α-helix	trans	-55.5	-45.5	165.8	173.5	0	0	0	0	111.6	S109 R115 A116 F117	S109-S113 WeakPolarHBondContact O-CB 3.39Å; S109-S113 PolarHBondContact O-N 2.22Å; S113-R115 PolarHBondContact O-N 2.97Å; S113-A116 PolarHBondContact O-N 3.17Å; S113-F117 WeakPolarHBondContact O-CB 3.41Å; S113-F117 PolarHBondContact O-N 3.11Å; S113-F117 VanDerWaalsContact O-N 3.12Å
114	N	44.2	Very low	47.8	Very low	83 Å²	83	96 Å²	96	44%	0.444	51%	0.513	S	S	.	.	H	α-helix	trans	-69.1	-12.3	173.7	-84	-88.2	0	0	0	114.2	L110 A111 E112 R118	L110-N114 VanDerWaalsContact O-CB 3.3Å; L110-N114 WeakPolarHBondContact O-CB 3.41Å; L110-N114 PolarHBondContact O-N 3.21Å; L110-N114 PolarHBondContact O-ND2 3Å; A111-N114 CarbonylContact O-C 3.57Å; E112-N114 VanDerWaalsContact C-N 3.33Å; E112-N114 PolarHBondContact O-N 3.12Å; N114-R118 WeakPolarHBondContact O-CD 3.22Å; N114-R118 VanDerWaalsContact O-CG 3.26Å; N114-R118 WeakPolarHBondContact O-CG 3.4Å
115	R	45.8	Very low	47.5	Very low	162 Å²	162	96.1 Å²	96.1	61%	0.611	52%	0.52	S	S	*	.	H	α-helix	trans	-84.2	-50.4	171.7	-114.6	-175.9	-178.7	172	0.7	111	A111 E112 S113 F117 R118 E119	A111-R115 PolarHBondContact O-N 3.14Å; E112-R115 WeakPolarHBondContact O-CA 3.41Å; E112-R115 VanDerWaalsContact O-CB 3.25Å; E112-R115 WeakPolarHBondContact O-CB 3.43Å; E112-R115 PolarHBondContact O-N 3.21Å; S113-R115 PolarHBondContact O-N 2.97Å; R115-F117 PolarHBondContact O-N 3.44Å; R115-R118 WeakPolarHBondContact O-CA 3.29Å; R115-R118 PolarHBondContact O-N 3.11Å; R115-E119 PolarHBondContact O-N 3.25Å
116	A	43.2	Very low	47.2	Very low	53 Å²	53	98.8 Å²	98.8	44%	0.438	53%	0.527	S	S	.	.	H	α-helix	trans	-53.6	-44.3	175.7	0	0	0	0	0	111.5	E112 S113 R118 E119 T120	E112-A116 PolarHBondContact O-N 2.88Å; S113-A116 PolarHBondContact O-N 3.17Å; A116-R118 VanDerWaalsContact C-N 3.31Å; A116-R118 PolarHBondContact O-N 2.99Å; A116-E119 PolarHBondContact O-N 3.28Å; A116-T120 PolarHBondContact O-N 2.91Å; A116-T120 VanDerWaalsContact O-N 3.08Å; A116-T120 PolarHBondContact O-OG1 2.88Å
117	F	38.7	Very low	46.9	Very low	110 Å²	110	98.1 Å²	98.1	48%	0.482	52%	0.521	S	S	.	.	H	α-helix	trans	-61.7	-32.1	175	-173.8	-107.1	0	0	0	113.8	S113 R115 G121 T123	S113-F117 WeakPolarHBondContact O-CB 3.41Å; S113-F117 PolarHBondContact O-N 3.11Å; S113-F117 VanDerWaalsContact O-N 3.12Å; R115-F117 PolarHBondContact O-N 3.44Å; F117-G121 VanDerWaalsContact O-CA 3.29Å; F117-G121 WeakPolarHBondContact O-CA 3.44Å; F117-G121 PolarHBondContact O-N 2.89Å; F117-G121 VanDerWaalsContact O-N 3.1Å; F117-T123 HydrophobicContact CD2-CG2 4.23Å; F117-T123 HydrophobicContact CE2-CG2 3.88Å
118	R	41.6	Very low	46.6	Very low	210 Å²	210	97.5 Å²	97.5	79%	0.792	52%	0.516	S	S	*	.	H	α-helix	trans	-85	-26.7	179.9	-77.7	179.9	-178.7	-153.2	1.7	114.5	N114 R115 A116	N114-R118 WeakPolarHBondContact O-CD 3.22Å; N114-R118 VanDerWaalsContact O-CG 3.26Å; N114-R118 WeakPolarHBondContact O-CG 3.4Å; R115-R118 WeakPolarHBondContact O-CA 3.29Å; R115-R118 PolarHBondContact O-N 3.11Å; A116-R118 VanDerWaalsContact C-N 3.31Å; A116-R118 PolarHBondContact O-N 2.99Å
119	E	42.1	Very low	46.3	Very low	160 Å²	160	97.9 Å²	97.9	75%	0.748	52%	0.518	S	S	*	.	H	α-helix	trans	-94.1	-22.3	-178.1	-68.6	-178.3	169.6	0	0	112.9	R115 A116	R115-E119 PolarHBondContact O-N 3.25Å; A116-E119 PolarHBondContact O-N 3.28Å
120	T	50.3	Low	46.1	Very low	82 Å²	82	96.9 Å²	96.9	50%	0.503	51%	0.511	S	S	.	.	H	α-helix	trans	-116.2	-27.1	178	65.4	0	0	0	0	114.8	A116 I122	A116-T120 PolarHBondContact O-N 2.91Å; A116-T120 VanDerWaalsContact O-N 3.08Å; A116-T120 PolarHBondContact O-OG1 2.88Å; T120-I122 VanDerWaalsContact C-N 3.29Å; T120-I122 PolarHBondContact O-N 3.1Å
121	G	36.9	Very low	46.3	Very low	53 Å²	53	99.4 Å²	99.4	55%	0.546	51%	0.513	S	S	.	.			trans	71.2	16.5	178.9	0	0	0	0	0	115.5	F117	F117-G121 VanDerWaalsContact O-CA 3.29Å; F117-G121 WeakPolarHBondContact O-CA 3.44Å; F117-G121 PolarHBondContact O-N 2.89Å; F117-G121 VanDerWaalsContact O-N 3.1Å
122	I	43.7	Very low	46.4	Very low	74 Å²	74	101.8 Å²	101.8	38%	0.379	52%	0.522	S	S	.	.			trans	-126.7	133.3	-176.6	-60.2	176	0	0	0	108.3	T120 E126 Q127	T120-I122 VanDerWaalsContact C-N 3.29Å; T120-I122 PolarHBondContact O-N 3.1Å; I122-E126 HydrophobicContact CG2-CB 3.49Å; I122-E126 VanDerWaalsContact CG2-CB 3.49Å; I122-Q127 HydrophobicContact CG2-CG 3.87Å
123	T	53.9	Low	46	Very low	49 Å²	49	99.5 Å²	99.5	30%	0.301	51%	0.514	S	S	.	.			trans	-78.8	163.6	178.9	59.3	0	0	0	0	113.3	F117 E125 E126 Q127	F117-T123 HydrophobicContact CD2-CG2 4.23Å; F117-T123 HydrophobicContact CE2-CG2 3.88Å; T123-E125 PolarHBondContact O-N 3.41Å; T123-E126 WeakPolarHBondContact CB-OE2 3.22Å; T123-E126 WeakPolarHBondContact CG2-OE2 3.44Å; T123-E126 PolarHBondContact N-OE2 3.36Å; T123-E126 CarbonylContact O-C 3.59Å; T123-E126 PolarHBondContact O-N 3.47Å; T123-E126 VanDerWaalsContact O-N 3.12Å; T123-E126 WeakPolarHBondContact OG1-CB 3.41Å; T123-E126 VanDerWaalsContact OG1-CG 3.27Å; T123-E126 WeakPolarHBondContact OG1-CG 3.21Å; T123-E126 PolarHBondContact OG1-N 3.02Å; T123-E126 PolarHBondContact OG1-OE2 2.94Å; T123-Q127 WeakPolarHBondContact O-CG 3.45Å; T123-Q127 PolarHBondContact O-N 3.49Å
124	D	47.1	Very low	45.9	Very low	115 Å²	115	103 Å²	103	62%	0.615	52%	0.523	S	S	*	.	H	α-helix	trans	-60.1	-34.3	175	-66.6	-49.4	0	0	0	112.5	Q127 A128	D124-Q127 PolarHBondContact O-N 3.29Å; D124-A128 WeakPolarHBondContact O-CB 3.3Å; D124-A128 PolarHBondContact O-N 2.81Å
125	E	49.7	Very low	45.9	Very low	154 Å²	154	101.5 Å²	101.5	72%	0.72	52%	0.522	S	S	*	.	H	α-helix	trans	-66.9	-43.5	173.7	-64.4	-174.9	160	0	0	111.1	T123 Q127 A128 I129	T123-E125 PolarHBondContact O-N 3.41Å; E125-Q127 VanDerWaalsContact C-N 3.33Å; E125-Q127 PolarHBondContact O-N 3.45Å; E125-A128 WeakPolarHBondContact O-CB 3.38Å; E125-A128 PolarHBondContact O-N 3.26Å; E125-I129 WeakPolarHBondContact O-CB 3.41Å; E125-I129 VanDerWaalsContact O-CG1 3.27Å; E125-I129 WeakPolarHBondContact O-CG1 3.21Å; E125-I129 PolarHBondContact O-N 2.95Å
126	E	46.6	Very low	45.5	Very low	91 Å²	91	95.5 Å²	95.5	43%	0.425	51%	0.505	S	S	.	.	H	α-helix	trans	-69.2	-27.5	173.7	-69.7	164.1	124.8	0	0	112.9	I122 T123 S130	I122-E126 HydrophobicContact CG2-CB 3.49Å; I122-E126 VanDerWaalsContact CG2-CB 3.49Å; T123-E126 WeakPolarHBondContact CB-OE2 3.22Å; T123-E126 WeakPolarHBondContact CG2-OE2 3.44Å; T123-E126 PolarHBondContact N-OE2 3.36Å; T123-E126 CarbonylContact O-C 3.59Å; T123-E126 PolarHBondContact O-N 3.47Å; T123-E126 VanDerWaalsContact O-N 3.12Å; T123-E126 WeakPolarHBondContact OG1-CB 3.41Å; T123-E126 VanDerWaalsContact OG1-CG 3.27Å; T123-E126 WeakPolarHBondContact OG1-CG 3.21Å; T123-E126 PolarHBondContact OG1-N 3.02Å; T123-E126 PolarHBondContact OG1-OE2 2.94Å; E126-S130 WeakPolarHBondContact O-CB 3.41Å; E126-S130 PolarHBondContact O-N 2.85Å; E126-S130 PolarHBondContact O-OG 3.04Å
127	Q	48.2	Very low	45.4	Very low	73 Å²	73	96.6 Å²	96.6	34%	0.341	50%	0.503	S	S	.	.	H	α-helix	trans	-75.4	-29.5	169.5	-71.4	-166.4	20.1	0	0	112.5	I122 T123 D124 E125 R131	I122-Q127 HydrophobicContact CG2-CG 3.87Å; T123-Q127 WeakPolarHBondContact O-CG 3.45Å; T123-Q127 PolarHBondContact O-N 3.49Å; D124-Q127 PolarHBondContact O-N 3.29Å; E125-Q127 VanDerWaalsContact C-N 3.33Å; E125-Q127 PolarHBondContact O-N 3.45Å; Q127-R131 WeakPolarHBondContact O-CB 3.47Å; Q127-R131 WeakPolarHBondContact O-CG 3.26Å; Q127-R131 PolarHBondContact O-N 3Å; Q127-R131 PolarHBondContact O-NE 2.99Å; Q127-R131 VanDerWaalsContact O-NE 3.11Å
128	A	49.2	Very low	45.5	Very low	45 Å²	45	94 Å²	94	37%	0.372	50%	0.501	S	S	.	.	H	α-helix	trans	-70.9	-45.8	170.6	0	0	0	0	0	110.3	D124 E125 S130 R131 V132	D124-A128 WeakPolarHBondContact O-CB 3.3Å; D124-A128 PolarHBondContact O-N 2.81Å; E125-A128 WeakPolarHBondContact O-CB 3.38Å; E125-A128 PolarHBondContact O-N 3.26Å; A128-S130 VanDerWaalsContact C-N 3.31Å; A128-S130 PolarHBondContact O-N 2.65Å; A128-R131 PolarHBondContact O-N 3.22Å; A128-V132 WeakPolarHBondContact O-CG2 3.47Å; A128-V132 PolarHBondContact O-N 3.47Å
129	I	48.9	Very low	45.4	Very low	111 Å²	111	90.1 Å²	90.1	57%	0.569	49%	0.492	S	S	*	.	H	α-helix	trans	-60.2	-41.1	171.4	-67.5	162.6	0	0	0	110.5	E125 V132 L133	E125-I129 WeakPolarHBondContact O-CB 3.41Å; E125-I129 VanDerWaalsContact O-CG1 3.27Å; E125-I129 WeakPolarHBondContact O-CG1 3.21Å; E125-I129 PolarHBondContact O-N 2.95Å; I129-V132 PolarHBondContact O-N 3.35Å; I129-L133 WeakPolarHBondContact O-CB 3.35Å; I129-L133 PolarHBondContact O-N 3.22Å
130	S	45.6	Very low	45	Very low	54 Å²	54	85.3 Å²	85.3	38%	0.378	47%	0.472	S	S	.	.	H	α-helix	trans	-66.2	-38.9	175.5	-61.2	0	0	0	0	111.8	E126 A128 L133 E134	E126-S130 WeakPolarHBondContact O-CB 3.41Å; E126-S130 PolarHBondContact O-N 2.85Å; E126-S130 PolarHBondContact O-OG 3.04Å; A128-S130 VanDerWaalsContact C-N 3.31Å; A128-S130 PolarHBondContact O-N 2.65Å; S130-L133 PolarHBondContact O-N 3.05Å; S130-E134 VanDerWaalsContact O-CB 3.25Å; S130-E134 WeakPolarHBondContact O-CB 3.3Å; S130-E134 WeakPolarHBondContact O-CG 3.24Å; S130-E134 PolarHBondContact O-N 3.3Å
131	R	53.9	Low	44.3	Very low	156 Å²	156	87.6 Å²	87.6	59%	0.589	48%	0.475	S	S	*	.	H	α-helix	trans	-68.6	-34.6	173.5	-80.8	176.3	-77.2	177.9	-8.1	113.1	Q127 A128 A135	Q127-R131 WeakPolarHBondContact O-CB 3.47Å; Q127-R131 WeakPolarHBondContact O-CG 3.26Å; Q127-R131 PolarHBondContact O-N 3Å; Q127-R131 PolarHBondContact O-NE 2.99Å; Q127-R131 VanDerWaalsContact O-NE 3.11Å; A128-R131 PolarHBondContact O-N 3.22Å; R131-A135 WeakPolarHBondContact O-CB 3.48Å; R131-A135 PolarHBondContact O-N 3.02Å
132	V	50.2	Low	44.2	Very low	105 Å²	105	87.5 Å²	87.5	64%	0.636	47%	0.469	S	S	*	.	H	α-helix	trans	-71.9	-36.7	173.1	170.4	0	0	0	0	111.2	A128 I129 A135 S136	A128-V132 WeakPolarHBondContact O-CG2 3.47Å; A128-V132 PolarHBondContact O-N 3.47Å; I129-V132 PolarHBondContact O-N 3.35Å; V132-A135 PolarHBondContact O-N 3.14Å; V132-S136 WeakPolarHBondContact O-CB 3.28Å; V132-S136 PolarHBondContact O-N 3.25Å
133	L	40.8	Very low	43.7	Very low	87 Å²	87	88.1 Å²	88.1	46%	0.455	48%	0.479	S	S	.	.	H	α-helix	trans	-72.7	-37.1	175	-171.8	66.4	0	0	0	111.2	I129 S130 S136 I137	I129-L133 WeakPolarHBondContact O-CB 3.35Å; I129-L133 PolarHBondContact O-N 3.22Å; S130-L133 PolarHBondContact O-N 3.05Å; L133-S136 CarbonylContact O-C 3.54Å; L133-S136 PolarHBondContact O-N 3.45Å; L133-I137 HydrophobicContact CG-CD1 3.99Å; L133-I137 VanDerWaalsContact O-CB 3.27Å; L133-I137 WeakPolarHBondContact O-CB 3.48Å; L133-I137 WeakPolarHBondContact O-CD1 3.31Å; L133-I137 WeakPolarHBondContact O-CG1 3.45Å; L133-I137 PolarHBondContact O-N 2.75Å
134	E	43.6	Very low	42.6	Very low	136 Å²	136	92.5 Å²	92.5	64%	0.636	50%	0.5	S	S	*	.	H	α-helix	trans	-69.6	-35.1	170.3	-78.2	-162.3	131.8	0	0	111.7	S130 I137 A138	S130-E134 VanDerWaalsContact O-CB 3.25Å; S130-E134 WeakPolarHBondContact O-CB 3.3Å; S130-E134 WeakPolarHBondContact O-CG 3.24Å; S130-E134 PolarHBondContact O-N 3.3Å; E134-I137 CarbonylContact O-C 3.6Å; E134-I137 PolarHBondContact O-N 2.83Å; E134-A138 WeakPolarHBondContact O-CA 3.34Å; E134-A138 WeakPolarHBondContact O-CB 3.37Å; E134-A138 PolarHBondContact O-N 3.26Å
135	A	44.6	Very low	41.7	Very low	52 Å²	52	95.3 Å²	95.3	43%	0.43	51%	0.506	S	S	.	.	H	α-helix	trans	-64	-43.1	169.2	0	0	0	0	0	110.9	R131 V132 A138 E139	R131-A135 WeakPolarHBondContact O-CB 3.48Å; R131-A135 PolarHBondContact O-N 3.02Å; V132-A135 PolarHBondContact O-N 3.14Å; A135-A138 CarbonylContact O-C 3.4Å; A135-A138 WeakPolarHBondContact O-CB 3.44Å; A135-A138 PolarHBondContact O-N 3.11Å; A135-E139 PolarHBondContact O-N 3.09Å
136	S	36.9	Very low	40.8	Very low	36 Å²	36	97 Å²	97	25%	0.252	51%	0.506	S	S	.	.	H	α-helix	trans	-68.1	-35.1	175	-168.6	0	0	0	0	112.5	V132 L133 E139 N140	V132-S136 WeakPolarHBondContact O-CB 3.28Å; V132-S136 PolarHBondContact O-N 3.25Å; L133-S136 CarbonylContact O-C 3.54Å; L133-S136 PolarHBondContact O-N 3.45Å; S136-E139 PolarHBondContact O-N 3.09Å; S136-N140 WeakPolarHBondContact O-CB 3.4Å; S136-N140 PolarHBondContact O-N 3.5Å; S136-N140 PolarHBondContact O-ND2 3.27Å
137	I	42.1	Very low	39.7	Very low	76 Å²	76	97.8 Å²	97.8	39%	0.39	52%	0.518	S	S	.	.	H	α-helix	trans	-73.2	-29.6	172.4	-71.8	165.7	0	0	0	110.7	L133 E134 K141	L133-I137 HydrophobicContact CG-CD1 3.99Å; L133-I137 VanDerWaalsContact O-CB 3.27Å; L133-I137 WeakPolarHBondContact O-CB 3.48Å; L133-I137 WeakPolarHBondContact O-CD1 3.31Å; L133-I137 WeakPolarHBondContact O-CG1 3.45Å; L133-I137 PolarHBondContact O-N 2.75Å; E134-I137 CarbonylContact O-C 3.6Å; E134-I137 PolarHBondContact O-N 2.83Å; I137-K141 HydrophobicContact CG2-CD 4.28Å; I137-K141 VanDerWaalsContact O-CB 3.25Å; I137-K141 WeakPolarHBondContact O-CB 3.35Å; I137-K141 VanDerWaalsContact O-CG 3.27Å; I137-K141 WeakPolarHBondContact O-CG 3.36Å; I137-K141 PolarHBondContact O-N 2.65Å
138	A	40.5	Very low	39	Very low	55 Å²	55	100 Å²	100	46%	0.455	54%	0.538	S	S	.	.	H	α-helix	trans	-73.9	-36.4	172.4	0	0	0	0	0	111.1	E134 A135 K141 A142	E134-A138 WeakPolarHBondContact O-CA 3.34Å; E134-A138 WeakPolarHBondContact O-CB 3.37Å; E134-A138 PolarHBondContact O-N 3.26Å; A135-A138 CarbonylContact O-C 3.4Å; A135-A138 WeakPolarHBondContact O-CB 3.44Å; A135-A138 PolarHBondContact O-N 3.11Å; A138-K141 CarbonylContact O-C 3.59Å; A138-K141 PolarHBondContact O-N 2.93Å; A138-A142 WeakPolarHBondContact O-CA 3.42Å; A138-A142 WeakPolarHBondContact O-CB 3.42Å; A138-A142 PolarHBondContact O-N 3.38Å
139	E	38	Very low	37.9	Very low	129 Å²	129	102.3 Å²	102.3	60%	0.603	55%	0.548	S	S	*	.	H	α-helix	trans	-66.4	-42.6	168.5	-79.4	-164.4	115.5	0	0	111.3	A135 S136 K141 A142 C143	A135-E139 PolarHBondContact O-N 3.09Å; S136-E139 PolarHBondContact O-N 3.09Å; E139-K141 VanDerWaalsContact C-N 3.35Å; E139-A142 CarbonylContact O-C 3.54Å; E139-A142 PolarHBondContact O-N 3.02Å; E139-C143 WeakPolarHBondContact O-CB 3.21Å; E139-C143 PolarHBondContact O-N 2.95Å
140	N	35.1	Very low	37	Very low	59 Å²	59	105.3 Å²	105.3	32%	0.316	56%	0.559	S	S	.	*	H	α-helix	trans	-63.8	-40.7	172.3	-83	-88.4	0	0	0	110.9	S136 A142 C143 L144 Q602	S136-N140 WeakPolarHBondContact O-CB 3.4Å; S136-N140 PolarHBondContact O-N 3.5Å; S136-N140 PolarHBondContact O-ND2 3.27Å; N140-A142 VanDerWaalsContact C-N 3.33Å; N140-A142 PolarHBondContact O-N 3.48Å; N140-C143 PolarHBondContact O-N 2.69Å; N140-L144 WeakPolarHBondContact O-CB 3.33Å; N140-L144 VanDerWaalsContact O-CG 3.28Å; N140-L144 WeakPolarHBondContact O-CG 3.28Å; N140-L144 PolarHBondContact O-N 3.43Å; N140-Q602 PolarHBondContact OD1-NE2 2.95Å
141	K	35.1	Very low	36.5	Very low	129 Å²	129	107.4 Å²	107.4	56%	0.561	57%	0.57	S	S	*	*	H	α-helix	trans	-67.7	-28.9	171.7	-79.5	172.7	178.9	170.1	0	112.8	I137 A138 E139 L144 K145	I137-K141 HydrophobicContact CG2-CD 4.28Å; I137-K141 VanDerWaalsContact O-CB 3.25Å; I137-K141 WeakPolarHBondContact O-CB 3.35Å; I137-K141 VanDerWaalsContact O-CG 3.27Å; I137-K141 WeakPolarHBondContact O-CG 3.36Å; I137-K141 PolarHBondContact O-N 2.65Å; A138-K141 CarbonylContact O-C 3.59Å; A138-K141 PolarHBondContact O-N 2.93Å; E139-K141 VanDerWaalsContact C-N 3.35Å; K141-L144 CarbonylContact O-C 3.59Å; K141-L144 PolarHBondContact O-N 2.97Å; K141-K145 VanDerWaalsContact O-CB 3.22Å; K141-K145 WeakPolarHBondContact O-CB 3.28Å; K141-K145 VanDerWaalsContact O-CG 3.23Å; K141-K145 WeakPolarHBondContact O-CG 3.43Å; K141-K145 PolarHBondContact O-N 3.36Å
142	A	33.8	Very low	35.9	Very low	52 Å²	52	107.9 Å²	107.9	43%	0.43	57%	0.572	S	S	.	*	H	α-helix	trans	-77.1	-35	174.9	0	0	0	0	0	110.8	A138 E139 N140 L144 K145 R146	A138-A142 WeakPolarHBondContact O-CA 3.42Å; A138-A142 WeakPolarHBondContact O-CB 3.42Å; A138-A142 PolarHBondContact O-N 3.38Å; E139-A142 CarbonylContact O-C 3.54Å; E139-A142 PolarHBondContact O-N 3.02Å; N140-A142 VanDerWaalsContact C-N 3.33Å; N140-A142 PolarHBondContact O-N 3.48Å; A142-L144 VanDerWaalsContact C-N 3.27Å; A142-L144 PolarHBondContact O-N 2.91Å; A142-K145 CarbonylContact O-C 3.49Å; A142-K145 PolarHBondContact O-N 3.5Å; A142-K145 VanDerWaalsContact O-N 3.11Å; A142-R146 PolarHBondContact O-N 3.5Å
143	C	33.8	Very low	35.4	Very low	86 Å²	86	114 Å²	114	58%	0.581	58%	0.583	S	S	*	*	H	α-helix	trans	-65.6	-31.6	168.4	-165.4	0	0	0	0	111.7	E139 N140	E139-C143 WeakPolarHBondContact O-CB 3.21Å; E139-C143 PolarHBondContact O-N 2.95Å; N140-C143 PolarHBondContact O-N 2.69Å
144	L	31.6	Very low	36.1	Very low	141 Å²	141	112.8 Å²	112.8	74%	0.738	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.8	-12.8	170.3	-69.4	164.2	0	0	0	114.1	N140 K141 A142	N140-L144 WeakPolarHBondContact O-CB 3.33Å; N140-L144 VanDerWaalsContact O-CG 3.28Å; N140-L144 WeakPolarHBondContact O-CG 3.28Å; N140-L144 PolarHBondContact O-N 3.43Å; K141-L144 CarbonylContact O-C 3.59Å; K141-L144 PolarHBondContact O-N 2.97Å; A142-L144 VanDerWaalsContact C-N 3.27Å; A142-L144 PolarHBondContact O-N 2.91Å
145	K	28.2	Very low	37.1	Very low	175 Å²	175	108.4 Å²	108.4	76%	0.761	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.4	-16.6	178.7	-80.9	-179.7	173.4	-172	0	114.1	K141 A142 T147	K141-K145 VanDerWaalsContact O-CB 3.22Å; K141-K145 WeakPolarHBondContact O-CB 3.28Å; K141-K145 VanDerWaalsContact O-CG 3.23Å; K141-K145 WeakPolarHBondContact O-CG 3.43Å; K141-K145 PolarHBondContact O-N 3.36Å; A142-K145 CarbonylContact O-C 3.49Å; A142-K145 PolarHBondContact O-N 3.5Å; A142-K145 VanDerWaalsContact O-N 3.11Å; K145-T147 PolarHBondContact O-N 3.41Å; K145-T147 VanDerWaalsContact O-N 3.1Å
146	R	29.4	Very low	38.4	Very low	188 Å²	188	116 Å²	116	71%	0.709	58%	0.579	S	S	*	*	S	Bend	trans	-51.4	116.9	148.4	-78.3	-175.9	179	175.2	1.1	105	A142 P148	A142-R146 PolarHBondContact O-N 3.5Å; R146-P148 WeakPolarHBondContact O-CD 3.5Å; R146-P148 VanDerWaalsContact O-N 3.14Å
147	T	25.2	Very low	40.6	Very low	109 Å²	109	116 Å²	116	67%	0.669	58%	0.577	S	S	*	*			trans	-54.8	123.1	-178.1	37	0	0	0	0	108.4	K145 T149	K145-T147 PolarHBondContact O-N 3.41Å; K145-T147 VanDerWaalsContact O-N 3.1Å; T147-T149 PolarHBondContact O-N 2.94Å
148	P	31.5	Very low	42.7	Very low	119 Å²	119	112.6 Å²	112.6	77%	0.773	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.1	45.6	176.8	32.2	-35.8	0	0	0	110.5	R146	R146-P148 WeakPolarHBondContact O-CD 3.5Å; R146-P148 VanDerWaalsContact O-N 3.14Å
149	T	28.1	Very low	44.9	Very low	94 Å²	94	114.8 Å²	114.8	58%	0.577	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-155.3	29.5	-167.8	-17.7	0	0	0	0	114.2	T147 V151	T147-T149 PolarHBondContact O-N 2.94Å; T149-V151 HydrophobicContact CG2-CB 4.24Å; T149-V151 HydrophobicContact CG2-CG2 4Å; T149-V151 PolarHBondContact O-N 2.93Å; T149-V151 VanDerWaalsContact O-N 3.08Å
150	E	29	Very low	47.1	Very low	173 Å²	173	112.9 Å²	112.9	81%	0.808	55%	0.55	S	S	*	*			trans	-73	51.8	131.3	-75.9	-140.5	140.4	0	0	109.9	W152	E150-W152 VanDerWaalsContact C-N 3.31Å; E150-W152 PolarHBondContact O-N 2.91Å
151	V	34.6	Very low	49.7	Very low	98 Å²	98	112 Å²	112	59%	0.594	54%	0.543	S	S	*	.			trans	-60.4	106.7	148.6	169.7	0	0	0	0	104.1	T149 R153	T149-V151 HydrophobicContact CG2-CB 4.24Å; T149-V151 HydrophobicContact CG2-CG2 4Å; T149-V151 PolarHBondContact O-N 2.93Å; T149-V151 VanDerWaalsContact O-N 3.08Å; V151-R153 VanDerWaalsContact C-N 3.3Å; V151-R153 WeakPolarHBondContact O-CA 3.4Å; V151-R153 PolarHBondContact O-N 3.24Å
152	W	42.6	Very low	52.4	Low	167 Å²	167	110.8 Å²	110.8	63%	0.633	54%	0.537	S	S	*	.			trans	-47.6	99.3	169.4	-77.2	81.8	0	0	0	107.7	E150 D154 I626 A627	E150-W152 VanDerWaalsContact C-N 3.31Å; E150-W152 PolarHBondContact O-N 2.91Å; W152-D154 VanDerWaalsContact C-N 3.28Å; W152-D154 PolarHBondContact O-N 3.33Å; W152-I626 HydrophobicContact CB-CD1 4.01Å; W152-I626 HydrophobicContact CD2-CD1 3.81Å; W152-I626 HydrophobicContact CD2-CG1 4.16Å; W152-I626 HydrophobicContact CE3-CD1 3.7Å; W152-I626 HydrophobicContact CE3-CG1 4.27Å; W152-I626 HydrophobicContact CG-CD1 3.98Å; W152-I626 HydrophobicContact CG-CG1 4.47Å; W152-I626 HydrophobicContact CZ3-CD1 4.4Å; W152-A627 HydrophobicContact CH2-CB 4.39Å; W152-A627 HydrophobicContact CZ2-CB 4.46Å
153	R	39.5	Very low	55.2	Low	233 Å²	233	111 Å²	111	88%	0.879	53%	0.527	S	S	*	.			trans	-79	90.3	-165.9	-154.9	-165.4	-51.6	-134.3	6.7	107.1	V151 S155	V151-R153 VanDerWaalsContact C-N 3.3Å; V151-R153 WeakPolarHBondContact O-CA 3.4Å; V151-R153 PolarHBondContact O-N 3.24Å; R153-S155 PolarHBondContact O-N 3.4Å
154	D	55.4	Low	57.7	Low	62 Å²	62	114.5 Å²	114.5	33%	0.332	54%	0.535	S	S	.	.			trans	-39.1	108.8	-166.9	-143.8	-17.8	0	0	0	110.6	W152 R156 R161 K172 Y239	W152-D154 VanDerWaalsContact C-N 3.28Å; W152-D154 PolarHBondContact O-N 3.33Å; D154-R156 PolarHBondContact O-N 3.23Å; D154-R156 VanDerWaalsContact O-N 3.1Å; D154-R161 WeakPolarHBondContact OD1-CD 3.41Å; D154-K172 IonicContact OD2-NZ 2.73Å; D154-K172 PolarHBondContact OD2-NZ 3.2Å; D154-Y239 PolarHBondContact OD1-OH 3.19Å; D154-Y239 PolarHBondContact OD2-OH 3.37Å
155	S	64	Low	59.9	Low	44 Å²	44	115.5 Å²	115.5	31%	0.308	54%	0.541	S	S	.	.			trans	-62.3	123.7	-162	-174.9	0	0	0	0	109	R153 N157 D160 R161	R153-S155 PolarHBondContact O-N 3.4Å; S155-N157 PolarHBondContact O-N 2.88Å; S155-D160 WeakPolarHBondContact CB-OD2 3.44Å; S155-D160 PolarHBondContact OG-OD2 2.95Å; S155-R161 WeakPolarHBondContact O-CD 3.27Å; S155-R161 PolarHBondContact O-NE 3.44Å
156	R	72.8	Confident	62.2	Low	210 Å²	210	116.3 Å²	116.3	79%	0.792	55%	0.545	S	S	*	.	S	Bend	trans	-58.1	-36.3	-176.4	-69.3	-174.8	173.7	-172.3	-3	110.7	D154 P158 R161 W703	D154-R156 PolarHBondContact O-N 3.23Å; D154-R156 VanDerWaalsContact O-N 3.1Å; R156-P158 VanDerWaalsContact O-CD 3.28Å; R156-P158 WeakPolarHBondContact O-CD 3.44Å; R156-R161 PolarHBondContact O-NH2 3.43Å; R156-W703 HydrophobicContact CB-CH2 3.97Å; R156-W703 HydrophobicContact CB-CZ3 4.08Å
157	N	82.4	Confident	64.9	Low	38 Å²	38	108.8 Å²	108.8	20%	0.203	52%	0.523	C	S	.	.	S	Bend	trans	-59.7	114.2	170.4	-176.8	20.7	0	0	0	111.4	S155 Y159 D160 W703	S155-N157 PolarHBondContact O-N 2.88Å; N157-Y159 PolarHBondContact O-N 3.02Å; N157-Y159 WeakPolarHBondContact OD1-CB 3.48Å; N157-Y159 WeakPolarHBondContact OD1-CD2 3.38Å; N157-Y159 PolarHBondContact OD1-N 3.23Å; N157-D160 WeakPolarHBondContact CB-OD2 3.5Å; N157-D160 VanDerWaalsContact ND2-CG 3.27Å; N157-D160 PolarHBondContact ND2-OD1 3.16Å; N157-D160 PolarHBondContact ND2-OD2 3.32Å; N157-D160 PolarHBondContact O-N 2.95Å; N157-W703 HydrophobicContact CB-CZ2 3.81Å; N157-W703 PolarHBondContact OD1-NE1 3.01Å
158	P	86.2	Confident	68.1	Low	3 Å²	3	105.6 Å²	105.6	2%	0.019	50%	0.503	C	S	.	.	G	3₁₀ helix	trans	-68.5	-21.3	178	-7.5	21.4	0	0	0	112.6	R156 D160 R161 K162 F696 E699 L700 W703	R156-P158 VanDerWaalsContact O-CD 3.28Å; R156-P158 WeakPolarHBondContact O-CD 3.44Å; P158-D160 PolarHBondContact O-N 3.22Å; P158-R161 CarbonylContact O-C 3.37Å; P158-R161 WeakPolarHBondContact O-CA 3.44Å; P158-R161 WeakPolarHBondContact O-CB 3.48Å; P158-R161 PolarHBondContact O-N 2.97Å; P158-R161 VanDerWaalsContact O-N 3.09Å; P158-K162 PolarHBondContact O-N 3.37Å; P158-K162 VanDerWaalsContact O-N 3.13Å; P158-F696 HydrophobicContact CB-CE2 4.09Å; P158-F696 HydrophobicContact CB-CZ 4.47Å; P158-F696 WeakPolarHBondContact O-CZ 3.35Å; P158-E699 HydrophobicContact CG-CB 4.48Å; P158-E699 WeakPolarHBondContact CG-O 3.35Å; P158-L700 HydrophobicContact CB-CD2 3.74Å; P158-L700 HydrophobicContact CB-CG 4.1Å; P158-L700 HydrophobicContact CG-CD2 4.43Å; P158-W703 HydrophobicContact CG-CB 3.83Å; P158-W703 HydrophobicContact CG-CD2 4.42Å; P158-W703 HydrophobicContact CG-CG 3.99Å
159	Y	86.7	Confident	71.1	Confident	101 Å²	101	100.1 Å²	100.1	40%	0.396	47%	0.468	S	S	.	.	G	3₁₀ helix	trans	-63.7	-37.6	176.4	-73.8	-88.4	0	0	0	112.6	N157 R161 K162 L700 D704	N157-Y159 PolarHBondContact O-N 3.02Å; N157-Y159 WeakPolarHBondContact OD1-CB 3.48Å; N157-Y159 WeakPolarHBondContact OD1-CD2 3.38Å; N157-Y159 PolarHBondContact OD1-N 3.23Å; Y159-R161 PolarHBondContact O-N 3.03Å; Y159-K162 VanDerWaalsContact O-CB 3.28Å; Y159-K162 WeakPolarHBondContact O-CB 3.35Å; Y159-K162 PolarHBondContact O-N 2.68Å; Y159-K162 VanDerWaalsContact O-N 3.12Å; Y159-L700 HydrophobicContact CD1-CD2 3.84Å; Y159-L700 HydrophobicContact CD2-CD2 3.54Å; Y159-L700 HydrophobicContact CE1-CD2 3.85Å; Y159-L700 HydrophobicContact CE2-CD2 3.54Å; Y159-L700 HydrophobicContact CG-CD2 3.69Å; Y159-D704 WeakPolarHBondContact CE2-OD1 3.4Å; Y159-D704 PolarHBondContact OH-OD2 2.92Å
160	D	84.8	Confident	74.3	Confident	90 Å²	90	95.7 Å²	95.7	48%	0.481	44%	0.441	S	S	.	.	G	3₁₀ helix	trans	-67.6	-22.7	175.1	-52.9	-20	0	0	0	112.3	S155 N157 P158	S155-D160 WeakPolarHBondContact CB-OD2 3.44Å; S155-D160 PolarHBondContact OG-OD2 2.95Å; N157-D160 WeakPolarHBondContact CB-OD2 3.5Å; N157-D160 VanDerWaalsContact ND2-CG 3.27Å; N157-D160 PolarHBondContact ND2-OD1 3.16Å; N157-D160 PolarHBondContact ND2-OD2 3.32Å; N157-D160 PolarHBondContact O-N 2.95Å; P158-D160 PolarHBondContact O-N 3.22Å
161	R	89	Confident	77.4	Confident	40 Å²	40	87.5 Å²	87.5	15%	0.151	40%	0.403	C	S	.	.	G	3₁₀ helix	trans	-91.7	-0.3	177.2	-61.9	-176.4	-83.8	129.6	-6.4	112.6	D154 S155 R156 P158 Y159 K238 Y239 F696 E699	D154-R161 WeakPolarHBondContact OD1-CD 3.41Å; S155-R161 WeakPolarHBondContact O-CD 3.27Å; S155-R161 PolarHBondContact O-NE 3.44Å; R156-R161 PolarHBondContact O-NH2 3.43Å; P158-R161 CarbonylContact O-C 3.37Å; P158-R161 WeakPolarHBondContact O-CA 3.44Å; P158-R161 WeakPolarHBondContact O-CB 3.48Å; P158-R161 PolarHBondContact O-N 2.97Å; P158-R161 VanDerWaalsContact O-N 3.09Å; Y159-R161 PolarHBondContact O-N 3.03Å; R161-K238 VanDerWaalsContact O-CB 3.31Å; R161-K238 WeakPolarHBondContact O-CB 3.35Å; R161-K238 PolarHBondContact O-N 2.89Å; R161-Y239 HydrophobicContact CB-CE1 4.5Å; R161-Y239 WeakPolarHBondContact CD-OH 3.49Å; R161-Y239 HydrophobicContact CG-CE1 4.24Å; R161-F696 HydrophobicContact CB-CE2 4.45Å; R161-F696 HydrophobicContact CB-CZ 4.37Å; R161-E699 IonicContact CZ-OE2 3.5Å; R161-E699 IonicContact NH1-OE2 3.92Å; R161-E699 PolarHBondContact NH1-OE2 2.82Å; R161-E699 IonicContact NH2-OE2 3.13Å
162	K	91.6	Very high	80.1	Confident	104 Å²	104	86 Å²	86	45%	0.452	39%	0.388	S	S	.	.	B	Isolated β-bridge	trans	-77.5	140.1	177.7	-169.8	173.3	-179.1	177.5	0	111	P158 Y159 F696	P158-K162 PolarHBondContact O-N 3.37Å; P158-K162 VanDerWaalsContact O-N 3.13Å; Y159-K162 VanDerWaalsContact O-CB 3.28Å; Y159-K162 WeakPolarHBondContact O-CB 3.35Å; Y159-K162 PolarHBondContact O-N 2.68Å; Y159-K162 VanDerWaalsContact O-N 3.12Å; K162-F696 HydrophobicContact CB-CE1 4.2Å; K162-F696 HydrophobicContact CB-CZ 4.32Å; K162-F696 HydrophobicContact CG-CE1 4.24Å
163	R	92.5	Very high	82.2	Confident	56 Å²	56	80.6 Å²	80.6	21%	0.211	37%	0.372	C	S	.	.	P	Polyproline II helix	trans	-68.4	138.9	174.1	-165.4	177	175.2	177.3	2.7	110.1	A167 V233 T235 K236	R163-A167 VanDerWaalsContact CZ-O 3.29Å; R163-A167 PolarHBondContact NE-O 2.91Å; R163-A167 PolarHBondContact NH2-O 2.91Å; R163-V233 PolarHBondContact NH1-O 3.11Å; R163-T235 WeakPolarHBondContact CD-O 3.3Å; R163-T235 PolarHBondContact NH1-O 3.4Å; R163-K236 VanDerWaalsContact CB-O 3.25Å; R163-K236 WeakPolarHBondContact CB-O 3.37Å; R163-K236 PolarHBondContact N-O 3.41Å
164	Q	86.6	Confident	84.2	Confident	159 Å²	159	71.7 Å²	71.7	74%	0.743	34%	0.343	S	S	*	.	P	Polyproline II helix	trans	-80.6	143.6	165.7	-69.1	-179.8	-10.1	0	0	109.4	K166 A167	Q164-K166 PolarHBondContact O-N 2.88Å; Q164-A167 HydrophobicContact CB-CB 4.19Å; Q164-A167 VanDerWaalsContact O-CB 3.27Å; Q164-A167 WeakPolarHBondContact O-CB 3.24Å; Q164-A167 PolarHBondContact O-N 3.47Å
165	D	78.1	Confident	84.9	Confident	162 Å²	162	71 Å²	71	87%	0.866	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	133.3	-172.4	-68	-37.5	0	0	0	112.4	A167	D165-A167 PolarHBondContact O-N 3.39Å
166	K	75.9	Confident	85.2	Confident	193 Å²	193	73.9 Å²	73.9	84%	0.839	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.7	-3.8	-175.3	-54.3	-180	-178.4	178.8	0	116.6	Q164	Q164-K166 PolarHBondContact O-N 2.88Å
167	A	86.2	Confident	85.4	Confident	30 Å²	30	64 Å²	64	25%	0.248	33%	0.325	C	S	.	.			trans	-64	147.3	175.9	0	0	0	0	0	111.8	R163 Q164 D165	R163-A167 VanDerWaalsContact CZ-O 3.29Å; R163-A167 PolarHBondContact NE-O 2.91Å; R163-A167 PolarHBondContact NH2-O 2.91Å; Q164-A167 HydrophobicContact CB-CB 4.19Å; Q164-A167 VanDerWaalsContact O-CB 3.27Å; Q164-A167 WeakPolarHBondContact O-CB 3.24Å; Q164-A167 PolarHBondContact O-N 3.47Å; D165-A167 PolarHBondContact O-N 3.39Å
168	P	92.2	Very high	85.6	Confident	41 Å²	41	62.4 Å²	62.4	27%	0.266	32%	0.317	S	S	.	.			trans	-65	163.6	168.9	28.6	-36.1	0	0	0	112.1	M621 Y623 V628	P168-M621 HydrophobicContact CG-CE 3.86Å; P168-Y623 HydrophobicContact CB-CE1 4.01Å; P168-Y623 WeakPolarHBondContact CB-OH 3.08Å; P168-V628 HydrophobicContact CB-CG1 4.07Å; P168-V628 HydrophobicContact CG-CB 4.03Å; P168-V628 HydrophobicContact CG-CG1 3.44Å; P168-V628 VanDerWaalsContact CG-CG1 3.44Å
169	V	94.5	Very high	85.6	Confident	5 Å²	5	63 Å²	63	3%	0.03	32%	0.319	C	S	.	.			trans	-110.1	131.7	-172.3	-176	0	0	0	0	109.9	Q185 L232 T235 V240	V169-Q185 PolarHBondContact O-NE2 3.1Å; V169-L232 HydrophobicContact CB-CD2 3.92Å; V169-L232 HydrophobicContact CG1-CD2 3.85Å; V169-L232 WeakPolarHBondContact CG2-O 3.42Å; V169-T235 HydrophobicContact CG1-CG2 3.82Å; V169-T235 HydrophobicContact CG2-CG2 4.05Å; V169-V240 HydrophobicContact CG1-CG2 3.83Å
170	G	95.2	Very high	85.7	Confident	1 Å²	1	58.2 Å²	58.2	1%	0.01	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	174.7	177.3	0	0	0	0	0	114.3	K238 Y239 V240 D625	G170-K238 PolarHBondContact N-O 3.23Å; G170-Y239 CarbonylContact O-C 3.42Å; G170-Y239 WeakPolarHBondContact O-CA 3.25Å; G170-Y239 WeakPolarHBondContact O-CB 3.42Å; G170-V240 PolarHBondContact O-N 2.95Å; G170-D625 CarbonylContact C-O 3.6Å; G170-D625 VanDerWaalsContact CA-O 3.28Å; G170-D625 WeakPolarHBondContact CA-O 3.33Å
171	L	95.1	Very high	86	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	134.7	173.2	-75.1	175.5	0	0	0	111.2	I184 Q185 L228 L232 V240 P242 D625 I626	L171-I184 HydrophobicContact CD1-CB 4.26Å; L171-I184 HydrophobicContact CD1-CG2 4.01Å; L171-Q185 HydrophobicContact CD1-CG 4.14Å; L171-L228 HydrophobicContact CD2-CD1 3.89Å; L171-L232 HydrophobicContact CD2-CD1 4.37Å; L171-L232 HydrophobicContact CD2-CD2 3.91Å; L171-L232 HydrophobicContact CD2-CG 4.47Å; L171-L232 HydrophobicContact CG-CD2 4.3Å; L171-V240 WeakPolarHBondContact CA-O 3.42Å; L171-V240 HydrophobicContact CD2-CB 4.28Å; L171-P242 HydrophobicContact CD2-CB 4.27Å; L171-P242 HydrophobicContact CD2-CG 4.46Å; L171-D625 PolarHBondContact N-O 2.98Å; L171-D625 CarbonylContact O-C 3.59Å; L171-D625 WeakPolarHBondContact O-CA 3.17Å; L171-D625 WeakPolarHBondContact O-CB 3.33Å; L171-I626 WeakPolarHBondContact O-CG2 3.26Å; L171-I626 PolarHBondContact O-N 3.4Å; L171-I626 VanDerWaalsContact O-N 3.12Å
172	K	91.9	Very high	86.2	Confident	67 Å²	67	52.3 Å²	52.3	29%	0.291	27%	0.272	S	S	.	.			trans	-77.7	127.4	179.5	-174.1	165.9	167.2	179.4	0	111.1	D154 V174 Y239 V240 D241 P242 I626	D154-K172 IonicContact OD2-NZ 2.73Å; D154-K172 PolarHBondContact OD2-NZ 3.2Å; K172-V174 WeakPolarHBondContact O-CG2 3.38Å; K172-V174 PolarHBondContact O-N 3.18Å; K172-Y239 HydrophobicContact CB-CD2 4.11Å; K172-Y239 HydrophobicContact CD-CD2 4.46Å; K172-Y239 HydrophobicContact CD-CE2 4.09Å; K172-V240 PolarHBondContact N-O 3.33Å; K172-D241 WeakPolarHBondContact CD-OD2 3.48Å; K172-D241 IonicContact NZ-OD2 2.66Å; K172-P242 WeakPolarHBondContact O-CD 3.38Å; K172-P242 VanDerWaalsContact O-CG 3.28Å; K172-P242 WeakPolarHBondContact O-CG 3.47Å; K172-I626 HydrophobicContact CB-CG2 4.1Å
173	N	86.2	Confident	86.2	Confident	54 Å²	54	47.5 Å²	47.5	29%	0.289	25%	0.252	S	S	.	.			trans	-70.6	119.9	176.3	-163.4	-36	0	0	0	110.2	G175 N176 T177 C178 D625	N173-G175 VanDerWaalsContact C-N 3.34Å; N173-G175 PolarHBondContact O-N 2.88Å; N173-G175 PolarHBondContact OD1-N 3.43Å; N173-N176 PolarHBondContact OD1-N 2.9Å; N173-T177 PolarHBondContact OD1-N 2.92Å; N173-T177 VanDerWaalsContact OD1-N 3.07Å; N173-T177 PolarHBondContact OD1-OG1 2.78Å; N173-C178 WeakPolarHBondContact ND2-CB 3.26Å; N173-D625 HydrophobicContact CB-CB 4.42Å; N173-D625 WeakPolarHBondContact CB-OD2 3.43Å; N173-D625 PolarHBondContact ND2-OD2 3.14Å
174	V	80.3	Confident	86.3	Confident	45 Å²	45	44.9 Å²	44.9	27%	0.273	24%	0.242	S	C	.	.			trans	-103	49.2	-175.6	-162.3	0	0	0	0	110.1	K172 T177 P242 K250	K172-V174 WeakPolarHBondContact O-CG2 3.38Å; K172-V174 PolarHBondContact O-N 3.18Å; V174-T177 WeakPolarHBondContact CA-OG1 3.41Å; V174-T177 PolarHBondContact N-OG1 3.42Å; V174-T177 PolarHBondContact O-OG1 2.6Å; V174-P242 HydrophobicContact CG2-CG 3.97Å; V174-K250 PolarHBondContact O-NZ 3.3Å
175	G	70.8	Confident	86.7	Confident	47 Å²	47	37.5 Å²	37.5	49%	0.485	21%	0.207	S	C	.	.	S	Bend	trans	73.4	112.1	-175.6	0	0	0	0	0	112.2	N173 T177 K250	N173-G175 VanDerWaalsContact C-N 3.34Å; N173-G175 PolarHBondContact O-N 2.88Å; N173-G175 PolarHBondContact OD1-N 3.43Å; G175-T177 WeakPolarHBondContact O-CG2 3.39Å; G175-T177 PolarHBondContact O-N 2.87Å; G175-T177 VanDerWaalsContact O-N 3.12Å; G175-T177 PolarHBondContact O-OG1 3.32Å; G175-T177 VanDerWaalsContact O-OG1 3.1Å; G175-K250 PolarHBondContact O-NZ 3.2Å
176	N	70	Confident	87.5	Confident	105 Å²	105	30 Å²	30	56%	0.561	17%	0.167	S	C	*	.	S	Bend	trans	40.9	47.5	179.5	-64	22	0	0	0	113.6	N173 W179 Q260	N173-N176 PolarHBondContact OD1-N 2.9Å; N176-W179 PolarHBondContact O-NE1 2.81Å; N176-Q260 PolarHBondContact ND2-OE1 3.32Å; N176-Q260 VanDerWaalsContact ND2-OE1 3.16Å
177	T	77.7	Confident	88.3	Confident	3 Å²	3	21.5 Å²	21.5	2%	0.018	13%	0.131	C	C	.	.			trans	-129.9	17.1	-175.8	33	0	0	0	0	113.9	N173 V174 G175 W179 F180 S181 V246 K250	N173-T177 PolarHBondContact OD1-N 2.92Å; N173-T177 VanDerWaalsContact OD1-N 3.07Å; N173-T177 PolarHBondContact OD1-OG1 2.78Å; V174-T177 WeakPolarHBondContact CA-OG1 3.41Å; V174-T177 PolarHBondContact N-OG1 3.42Å; V174-T177 PolarHBondContact O-OG1 2.6Å; G175-T177 WeakPolarHBondContact O-CG2 3.39Å; G175-T177 PolarHBondContact O-N 2.87Å; G175-T177 VanDerWaalsContact O-N 3.12Å; G175-T177 PolarHBondContact O-OG1 3.32Å; G175-T177 VanDerWaalsContact O-OG1 3.1Å; T177-W179 HydrophobicContact CG2-CZ2 3.88Å; T177-W179 PolarHBondContact O-N 3.29Å; T177-W179 VanDerWaalsContact O-N 3.17Å; T177-F180 WeakPolarHBondContact O-CA 3.47Å; T177-F180 VanDerWaalsContact O-CB 3.26Å; T177-F180 WeakPolarHBondContact O-CB 3.41Å; T177-F180 PolarHBondContact O-N 3.48Å; T177-S181 PolarHBondContact O-N 3.35Å; T177-V246 HydrophobicContact CG2-CG1 3.77Å; T177-K250 VanDerWaalsContact CG2-CE 3.41Å
178	C	86	Confident	88.7	Confident	4 Å²	4	20.7 Å²	20.7	3%	0.027	12%	0.122	C	C	.	.	H	α-helix	trans	-56.6	-25.8	171.5	43.3	0	0	0	0	113.8	N173 F180 S181 A182 H607 Y608 D625	N173-C178 WeakPolarHBondContact ND2-CB 3.26Å; C178-F180 VanDerWaalsContact C-N 3.32Å; C178-F180 PolarHBondContact O-N 2.9Å; C178-S181 WeakPolarHBondContact O-CB 3.44Å; C178-S181 PolarHBondContact O-N 2.94Å; C178-A182 PolarHBondContact O-N 2.98Å; C178-H607 VanDerWaalsContact CB-CE1 3.5Å; C178-H607 WeakPolarHBondContact CB-CE1 3.42Å; C178-H607 PolarHBondContact SG-ND1 2.89Å; C178-Y608 WeakPolarHBondContact CB-O 3.49Å; C178-D625 WeakPolarHBondContact CA-OD1 3.21Å
179	W	85.4	Confident	88.8	Confident	16 Å²	16	20.2 Å²	20.2	6%	0.061	12%	0.117	C	C	.	.	H	α-helix	trans	-59.9	-40.2	169.9	51.7	-100.6	0	0	0	112.7	N176 T177 A182 V183 L249 V263 F266 Y608	N176-W179 PolarHBondContact O-NE1 2.81Å; T177-W179 HydrophobicContact CG2-CZ2 3.88Å; T177-W179 PolarHBondContact O-N 3.29Å; T177-W179 VanDerWaalsContact O-N 3.17Å; W179-A182 PolarHBondContact O-N 3.32Å; W179-V183 WeakPolarHBondContact O-CG2 3.46Å; W179-V183 PolarHBondContact O-N 3.42Å; W179-L249 HydrophobicContact CH2-CD2 3.75Å; W179-L249 HydrophobicContact CZ3-CD2 3.8Å; W179-V263 HydrophobicContact CB-CB 4.2Å; W179-V263 HydrophobicContact CB-CG1 3.83Å; W179-V263 HydrophobicContact CB-CG2 3.35Å; W179-V263 HydrophobicContact CG-CG2 4.13Å; W179-F266 HydrophobicContact CE3-CB 4.07Å; W179-F266 AromaticContact CE3-CD1 3.39Å; W179-F266 HydrophobicContact CE3-CD1 3.39Å; W179-F266 HydrophobicContact CE3-CD2 4.48Å; W179-F266 AromaticContact CE3-CE1 3.9Å; W179-F266 HydrophobicContact CE3-CE1 3.9Å; W179-F266 AromaticContact CE3-CG 3.71Å; W179-F266 HydrophobicContact CE3-CG 3.71Å; W179-F266 HydrophobicContact CH2-CG 4.38Å; W179-F266 HydrophobicContact CZ3-CB 3.87Å; W179-F266 AromaticContact CZ3-CD1 3.44Å; W179-F266 HydrophobicContact CZ3-CD1 3.44Å; W179-F266 VanDerWaalsContact CZ3-CD1 3.44Å; W179-F266 AromaticContact CZ3-CD2 3.72Å; W179-F266 HydrophobicContact CZ3-CD2 3.72Å; W179-F266 AromaticContact CZ3-CE1 3.83Å; W179-F266 HydrophobicContact CZ3-CE1 3.83Å; W179-F266 HydrophobicContact CZ3-CE2 4.12Å; W179-F266 AromaticContact CZ3-CG 3.35Å; W179-F266 HydrophobicContact CZ3-CG 3.35Å; W179-F266 HydrophobicContact CZ3-CZ 4.16Å; W179-Y608 HydrophobicContact CB-CD2 4.05Å; W179-Y608 HydrophobicContact CB-CG 4.09Å
180	F	88.9	Confident	88.7	Confident	1 Å²	1	20 Å²	20	0%	0.004	12%	0.115	C	C	.	.	H	α-helix	trans	-64.7	-43.6	174.2	-174.8	-88.1	0	0	0	109.9	T177 C178 A182 I184 F221 L228 P242 A245 V246 L249 F266	T177-F180 WeakPolarHBondContact O-CA 3.47Å; T177-F180 VanDerWaalsContact O-CB 3.26Å; T177-F180 WeakPolarHBondContact O-CB 3.41Å; T177-F180 PolarHBondContact O-N 3.48Å; C178-F180 VanDerWaalsContact C-N 3.32Å; C178-F180 PolarHBondContact O-N 2.9Å; F180-A182 PolarHBondContact O-N 3.35Å; F180-I184 HydrophobicContact CD1-CG1 3.85Å; F180-I184 HydrophobicContact CD2-CG1 4.19Å; F180-I184 HydrophobicContact CE1-CB 4.36Å; F180-I184 HydrophobicContact CE1-CG1 3.6Å; F180-I184 HydrophobicContact CE2-CD1 4.35Å; F180-I184 HydrophobicContact CE2-CG1 3.96Å; F180-I184 HydrophobicContact CG-CG1 4.14Å; F180-I184 HydrophobicContact CZ-CD1 4.22Å; F180-I184 HydrophobicContact CZ-CG1 3.66Å; F180-I184 VanDerWaalsContact O-CB 3.23Å; F180-I184 WeakPolarHBondContact O-CB 3.18Å; F180-I184 VanDerWaalsContact O-CG1 3.28Å; F180-I184 WeakPolarHBondContact O-CG1 3.29Å; F180-I184 PolarHBondContact O-N 3.4Å; F180-F221 HydrophobicContact CE2-CE2 4.25Å; F180-F221 HydrophobicContact CE2-CZ 4.38Å; F180-L228 HydrophobicContact CE1-CD2 4.05Å; F180-L228 HydrophobicContact CZ-CD2 4.42Å; F180-P242 HydrophobicContact CD1-CB 4.05Å; F180-P242 HydrophobicContact CD1-CG 4.47Å; F180-P242 HydrophobicContact CE1-CB 3.65Å; F180-A245 HydrophobicContact CZ-CB 3.98Å; F180-V246 HydrophobicContact CB-CG2 4.34Å; F180-V246 HydrophobicContact CD1-CG2 3.57Å; F180-V246 HydrophobicContact CD2-CG2 3.87Å; F180-V246 HydrophobicContact CE1-CG2 3.69Å; F180-V246 HydrophobicContact CE2-CG2 3.98Å; F180-V246 HydrophobicContact CG-CG2 3.66Å; F180-V246 HydrophobicContact CZ-CG2 3.89Å; F180-L249 HydrophobicContact CD2-CD2 3.9Å; F180-L249 HydrophobicContact CE2-CD2 4.11Å; F180-F266 AromaticContact CD2-CE1 3.89Å; F180-F266 HydrophobicContact CD2-CE1 3.89Å; F180-F266 HydrophobicContact CD2-CE2 4.11Å; F180-F266 AromaticContact CD2-CZ 3.41Å; F180-F266 HydrophobicContact CD2-CZ 3.41Å; F180-F266 VanDerWaalsContact CD2-CZ 3.41Å; F180-F266 HydrophobicContact CE2-CE2 4.36Å; F180-F266 AromaticContact CE2-CZ 3.77Å; F180-F266 HydrophobicContact CE2-CZ 3.77Å; F180-F266 HydrophobicContact CG-CZ 4.42Å
181	S	91.8	Very high	88.5	Confident	5 Å²	5	21 Å²	21	4%	0.035	12%	0.121	C	C	.	.	H	α-helix	trans	-55.9	-49.5	175	-52.8	0	0	0	0	112.1	T177 C178 Q185 D625	T177-S181 PolarHBondContact O-N 3.35Å; C178-S181 WeakPolarHBondContact O-CB 3.44Å; C178-S181 PolarHBondContact O-N 2.94Å; S181-Q185 WeakPolarHBondContact O-CB 3.35Å; S181-Q185 WeakPolarHBondContact O-CG 3.31Å; S181-Q185 PolarHBondContact O-N 3.2Å; S181-D625 WeakPolarHBondContact CB-OD1 3.37Å; S181-D625 PolarHBondContact OG-OD1 3.15Å
182	A	92.4	Very high	88.3	Confident	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-64.6	-46.7	-177.3	0	0	0	0	0	112.7	C178 W179 F180 S186 L597 A610	C178-A182 PolarHBondContact O-N 2.98Å; W179-A182 PolarHBondContact O-N 3.32Å; F180-A182 PolarHBondContact O-N 3.35Å; A182-S186 WeakPolarHBondContact O-CB 3.32Å; A182-S186 PolarHBondContact O-N 3.02Å; A182-S186 PolarHBondContact O-OG 3.21Å; A182-L597 HydrophobicContact CB-CD2 4.19Å; A182-A610 HydrophobicContact CB-CB 4.16Å
183	V	92.3	Very high	88.3	Confident	4 Å²	4	20.1 Å²	20.1	2%	0.024	12%	0.118	C	C	.	.	H	α-helix	trans	-65.5	-49.6	178.7	170.3	0	0	0	0	111.2	W179 Q185 S186 L187 V263 F266 T267 L270 L597	W179-V183 WeakPolarHBondContact O-CG2 3.46Å; W179-V183 PolarHBondContact O-N 3.42Å; V183-Q185 PolarHBondContact O-N 2.96Å; V183-S186 PolarHBondContact O-N 3.28Å; V183-L187 HydrophobicContact CG1-CD1 3.91Å; V183-L187 WeakPolarHBondContact O-CG 3.43Å; V183-L187 PolarHBondContact O-N 3.47Å; V183-V263 HydrophobicContact CG2-CG1 3.65Å; V183-F266 HydrophobicContact CB-CD1 4.33Å; V183-F266 HydrophobicContact CB-CE1 3.87Å; V183-F266 HydrophobicContact CG1-CD1 4.3Å; V183-F266 HydrophobicContact CG1-CE1 3.73Å; V183-F266 HydrophobicContact CG2-CD1 4.2Å; V183-F266 HydrophobicContact CG2-CE1 4.25Å; V183-T267 HydrophobicContact CB-CG2 4.35Å; V183-T267 HydrophobicContact CG1-CG2 3.8Å; V183-T267 HydrophobicContact CG2-CG2 3.53Å; V183-L270 HydrophobicContact CG1-CD2 3.68Å; V183-L597 HydrophobicContact CB-CD2 4.48Å; V183-L597 HydrophobicContact CG2-CD2 3.93Å
184	I	94.3	Very high	88.6	Confident	1 Å²	1	19.7 Å²	19.7	1%	0.005	11%	0.112	C	C	.	.	H	α-helix	trans	-66.3	-38.6	-176.3	-68.6	-54.9	0	0	0	112.2	L171 F180 S186 L187 F188 L225 L228 F229 L270	L171-I184 HydrophobicContact CD1-CB 4.26Å; L171-I184 HydrophobicContact CD1-CG2 4.01Å; F180-I184 HydrophobicContact CD1-CG1 3.85Å; F180-I184 HydrophobicContact CD2-CG1 4.19Å; F180-I184 HydrophobicContact CE1-CB 4.36Å; F180-I184 HydrophobicContact CE1-CG1 3.6Å; F180-I184 HydrophobicContact CE2-CD1 4.35Å; F180-I184 HydrophobicContact CE2-CG1 3.96Å; F180-I184 HydrophobicContact CG-CG1 4.14Å; F180-I184 HydrophobicContact CZ-CD1 4.22Å; F180-I184 HydrophobicContact CZ-CG1 3.66Å; F180-I184 VanDerWaalsContact O-CB 3.23Å; F180-I184 WeakPolarHBondContact O-CB 3.18Å; F180-I184 VanDerWaalsContact O-CG1 3.28Å; F180-I184 WeakPolarHBondContact O-CG1 3.29Å; F180-I184 PolarHBondContact O-N 3.4Å; I184-S186 VanDerWaalsContact C-N 3.33Å; I184-S186 PolarHBondContact O-N 3.04Å; I184-L187 PolarHBondContact O-N 3Å; I184-F188 WeakPolarHBondContact O-CB 3.5Å; I184-F188 PolarHBondContact O-N 3.2Å; I184-L225 HydrophobicContact CD1-CD1 3.91Å; I184-L228 HydrophobicContact CG2-CD2 4.4Å; I184-F229 HydrophobicContact CG2-CE1 3.94Å; I184-L270 HydrophobicContact CD1-CD2 3.96Å
185	Q	95.3	Very high	89	Confident	4 Å²	4	19.3 Å²	19.3	2%	0.019	11%	0.106	C	C	.	.	H	α-helix	trans	-64.8	-38.4	174.7	-68	-76.3	11.6	0	0	112	V169 L171 S181 V183 F188 N189 I612 Y623	V169-Q185 PolarHBondContact O-NE2 3.1Å; L171-Q185 HydrophobicContact CD1-CG 4.14Å; S181-Q185 WeakPolarHBondContact O-CB 3.35Å; S181-Q185 WeakPolarHBondContact O-CG 3.31Å; S181-Q185 PolarHBondContact O-N 3.2Å; V183-Q185 PolarHBondContact O-N 2.96Å; Q185-F188 PolarHBondContact O-N 2.9Å; Q185-N189 WeakPolarHBondContact O-CB 3.37Å; Q185-N189 PolarHBondContact O-N 3.29Å; Q185-N189 VanDerWaalsContact O-N 3.11Å; Q185-N189 PolarHBondContact O-ND2 2.93Å; Q185-I612 VanDerWaalsContact C-CD1 3.4Å; Q185-I612 HydrophobicContact CB-CD1 3.81Å; Q185-I612 WeakPolarHBondContact O-CD1 3.48Å; Q185-Y623 HydrophobicContact CB-CD1 3.89Å; Q185-Y623 HydrophobicContact CB-CE1 4.46Å; Q185-Y623 HydrophobicContact CB-CG 4.17Å; Q185-Y623 VanDerWaalsContact CD-CD1 3.42Å; Q185-Y623 HydrophobicContact CG-CD1 3.72Å; Q185-Y623 HydrophobicContact CG-CE1 4.42Å; Q185-Y623 HydrophobicContact CG-CG 4.33Å
186	S	94.6	Very high	89.9	Confident	3 Å²	3	18.7 Å²	18.7	2%	0.021	9%	0.091	C	C	.	.	H	α-helix	trans	-64.3	-43.2	178	-57	0	0	0	0	111.7	A182 V183 I184	A182-S186 WeakPolarHBondContact O-CB 3.32Å; A182-S186 PolarHBondContact O-N 3.02Å; A182-S186 PolarHBondContact O-OG 3.21Å; V183-S186 PolarHBondContact O-N 3.28Å; I184-S186 VanDerWaalsContact C-N 3.33Å; I184-S186 PolarHBondContact O-N 3.04Å
187	L	93.7	Very high	91	Very high	15 Å²	15	13.7 Å²	13.7	8%	0.079	6%	0.064	C	C	.	.	H	α-helix	trans	-73.2	-36	175.7	-64.5	173	0	0	0	112.9	V183 I184 N189 L190 F193 L270 F299 M653	V183-L187 HydrophobicContact CG1-CD1 3.91Å; V183-L187 WeakPolarHBondContact O-CG 3.43Å; V183-L187 PolarHBondContact O-N 3.47Å; I184-L187 PolarHBondContact O-N 3Å; L187-N189 PolarHBondContact O-N 3.11Å; L187-L190 WeakPolarHBondContact O-CB 3.46Å; L187-L190 PolarHBondContact O-N 3.33Å; L187-F193 HydrophobicContact CB-CD1 3.88Å; L187-F193 HydrophobicContact CB-CE1 3.67Å; L187-F193 HydrophobicContact CB-CZ 4.22Å; L187-F193 HydrophobicContact CD1-CE1 4.47Å; L187-F193 HydrophobicContact CD1-CZ 4.26Å; L187-F193 VanDerWaalsContact O-CD1 3.23Å; L187-F193 WeakPolarHBondContact O-CD1 3.34Å; L187-L270 HydrophobicContact CD1-CD2 3.55Å; L187-F299 HydrophobicContact CD2-CE1 3.86Å; L187-F299 HydrophobicContact CD2-CZ 3.69Å; L187-M653 HydrophobicContact CD2-CE 4.19Å
188	F	94.4	Very high	91.7	Very high	14 Å²	14	13.8 Å²	13.8	6%	0.061	7%	0.065	C	C	.	.	H	α-helix	trans	-67.2	-32.7	179.3	174.4	-94.3	0	0	0	113.6	I184 Q185 L190 R194 F229 L232 V233	I184-F188 WeakPolarHBondContact O-CB 3.5Å; I184-F188 PolarHBondContact O-N 3.2Å; Q185-F188 PolarHBondContact O-N 2.9Å; F188-L190 VanDerWaalsContact C-N 3.31Å; F188-R194 HydrophobicContact CD2-CG 4Å; F188-R194 HydrophobicContact CE2-CG 3.91Å; F188-R194 WeakPolarHBondContact O-CD 3.46Å; F188-F229 HydrophobicContact CB-CE1 4.24Å; F188-F229 HydrophobicContact CB-CE2 4.24Å; F188-F229 HydrophobicContact CB-CZ 3.84Å; F188-F229 HydrophobicContact CD2-CB 4.33Å; F188-F229 HydrophobicContact CD2-CD1 4Å; F188-F229 AromaticContact CD2-CD2 3.76Å; F188-F229 HydrophobicContact CD2-CD2 3.76Å; F188-F229 HydrophobicContact CD2-CE1 4.13Å; F188-F229 AromaticContact CD2-CE2 3.9Å; F188-F229 HydrophobicContact CD2-CE2 3.9Å; F188-F229 AromaticContact CD2-CG 3.78Å; F188-F229 HydrophobicContact CD2-CG 3.78Å; F188-F229 HydrophobicContact CD2-CZ 4.06Å; F188-F229 HydrophobicContact CE2-CB 4.33Å; F188-F229 HydrophobicContact CE2-CD2 4.39Å; F188-F229 HydrophobicContact CE2-CG 4.27Å; F188-F229 WeakPolarHBondContact CE2-O 3.33Å; F188-F229 HydrophobicContact CG-CZ 4.48Å; F188-L232 HydrophobicContact CD2-CB 4.1Å; F188-L232 HydrophobicContact CD2-CD1 3.98Å; F188-L232 HydrophobicContact CE1-CB 4.02Å; F188-L232 HydrophobicContact CE2-CB 3.51Å; F188-L232 HydrophobicContact CE2-CD1 4.26Å; F188-L232 HydrophobicContact CG-CD1 4.12Å; F188-L232 HydrophobicContact CZ-CB 3.47Å; F188-L232 VanDerWaalsContact CZ-CB 3.47Å; F188-V233 HydrophobicContact CE2-CG2 3.91Å; F188-V233 HydrophobicContact CZ-CG2 3.73Å
189	N	93.5	Very high	91.9	Very high	30 Å²	30	17.8 Å²	17.8	16%	0.16	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-11.8	178.6	-77.1	-35.6	0	0	0	113.7	Q185 L187 L191 I612 Y623	Q185-N189 WeakPolarHBondContact O-CB 3.37Å; Q185-N189 PolarHBondContact O-N 3.29Å; Q185-N189 VanDerWaalsContact O-N 3.11Å; Q185-N189 PolarHBondContact O-ND2 2.93Å; L187-N189 PolarHBondContact O-N 3.11Å; N189-L191 WeakPolarHBondContact O-CD2 3.31Å; N189-L191 PolarHBondContact O-N 3.33Å; N189-I612 HydrophobicContact CB-CG2 3.81Å; N189-I612 VanDerWaalsContact ND2-CD1 3.34Å; N189-I612 WeakPolarHBondContact ND2-CD1 3.42Å; N189-Y623 PolarHBondContact ND2-OH 3.24Å; N189-Y623 VanDerWaalsContact ND2-OH 3.08Å
190	L	92.6	Very high	92	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	8%	0.084	C	C	.	.	S	Bend	trans	-76.9	102.5	164.9	-178.7	69	0	0	0	108.7	L187 F188 E192 F193 R194 L298 F299 V369 H594 M653 I655 L662	L187-L190 WeakPolarHBondContact O-CB 3.46Å; L187-L190 PolarHBondContact O-N 3.33Å; F188-L190 VanDerWaalsContact C-N 3.31Å; L190-E192 VanDerWaalsContact C-N 3.28Å; L190-E192 PolarHBondContact O-N 3.32Å; L190-F193 HydrophobicContact CB-CB 4.2Å; L190-F193 HydrophobicContact CD2-CB 3.73Å; L190-F193 HydrophobicContact CG-CB 4.04Å; L190-F193 PolarHBondContact O-N 2.82Å; L190-R194 PolarHBondContact O-N 3.11Å; L190-R194 VanDerWaalsContact O-N 3.07Å; L190-L298 HydrophobicContact CD2-CD2 4.13Å; L190-L298 HydrophobicContact CD2-CG 4.46Å; L190-F299 HydrophobicContact CD2-CE1 4.28Å; L190-F299 HydrophobicContact CD2-CZ 4.12Å; L190-V369 HydrophobicContact CD1-CG2 4.03Å; L190-V369 HydrophobicContact CD2-CG1 4.4Å; L190-V369 HydrophobicContact CD2-CG2 3.66Å; L190-V369 HydrophobicContact CG-CG2 4.5Å; L190-H594 PolarHBondContact N-NE2 2.83Å; L190-M653 HydrophobicContact CB-CE 4.22Å; L190-M653 HydrophobicContact CD2-CE 3.89Å; L190-I655 HydrophobicContact CD1-CG2 4Å; L190-L662 HydrophobicContact CD1-CB 4.15Å; L190-L662 HydrophobicContact CD1-CD2 4.31Å
191	L	90.4	Very high	91.8	Very high	24 Å²	24	23.8 Å²	23.8	13%	0.126	11%	0.112	C	C	.	.	H	α-helix	trans	-62.4	-35.1	-164.2	-48	-171.6	0	0	0	112.6	N189 R194 R195 L662 I663 E665	N189-L191 WeakPolarHBondContact O-CD2 3.31Å; N189-L191 PolarHBondContact O-N 3.33Å; L191-R194 WeakPolarHBondContact O-CB 3.46Å; L191-R194 PolarHBondContact O-N 3.28Å; L191-R195 WeakPolarHBondContact O-CG 3.3Å; L191-R195 PolarHBondContact O-N 3.27Å; L191-L662 PolarHBondContact N-O 3.34Å; L191-I663 WeakPolarHBondContact CD1-O 3.3Å; L191-E665 HydrophobicContact CD1-CG 4.22Å
192	E	90.9	Very high	91.1	Very high	47 Å²	47	27.1 Å²	27.1	22%	0.22	13%	0.134	C	C	.	.	H	α-helix	trans	-69	-43.2	178.3	-166.5	57.6	-146	0	0	112.8	L190 R194 R195 L196 F661 L662	L190-E192 VanDerWaalsContact C-N 3.28Å; L190-E192 PolarHBondContact O-N 3.32Å; E192-R194 VanDerWaalsContact C-N 3.27Å; E192-R194 PolarHBondContact O-N 3.47Å; E192-R195 WeakPolarHBondContact O-CB 3.43Å; E192-R195 PolarHBondContact O-N 3.32Å; E192-R195 VanDerWaalsContact O-N 3.09Å; E192-R195 WeakPolarHBondContact OE2-CD 3.33Å; E192-R195 IonicContact OE2-CZ 3.55Å; E192-R195 IonicContact OE2-NE 2.86Å; E192-R195 IonicContact OE2-NH1 3.41Å; E192-R195 PolarHBondContact OE2-NH1 2.94Å; E192-L196 WeakPolarHBondContact O-CG 3.38Å; E192-L196 PolarHBondContact O-N 3.05Å; E192-F661 HydrophobicContact CG-CD2 4.07Å; E192-F661 HydrophobicContact CG-CE2 4.26Å; E192-L662 HydrophobicContact CB-CD2 4.3Å
193	F	92.2	Very high	90.2	Very high	1 Å²	1	27.9 Å²	27.9	0%	0.004	14%	0.139	C	C	.	.	H	α-helix	trans	-59	-42.4	172.7	179.1	-92.5	0	0	0	111.1	L187 L190 R195 L196 V197 F229 L274 M295 L298 F299	L187-F193 HydrophobicContact CB-CD1 3.88Å; L187-F193 HydrophobicContact CB-CE1 3.67Å; L187-F193 HydrophobicContact CB-CZ 4.22Å; L187-F193 HydrophobicContact CD1-CE1 4.47Å; L187-F193 HydrophobicContact CD1-CZ 4.26Å; L187-F193 VanDerWaalsContact O-CD1 3.23Å; L187-F193 WeakPolarHBondContact O-CD1 3.34Å; L190-F193 HydrophobicContact CB-CB 4.2Å; L190-F193 HydrophobicContact CD2-CB 3.73Å; L190-F193 HydrophobicContact CG-CB 4.04Å; L190-F193 PolarHBondContact O-N 2.82Å; F193-R195 VanDerWaalsContact C-N 3.31Å; F193-R195 PolarHBondContact O-N 3.41Å; F193-L196 PolarHBondContact O-N 2.93Å; F193-V197 HydrophobicContact CD1-CG2 4.07Å; F193-V197 HydrophobicContact CE1-CG2 3.64Å; F193-V197 HydrophobicContact CE2-CG2 4.41Å; F193-V197 HydrophobicContact CZ-CG2 3.85Å; F193-V197 WeakPolarHBondContact O-CG2 3.34Å; F193-V197 PolarHBondContact O-N 3.23Å; F193-F229 AromaticContact CD1-CE2 3.87Å; F193-F229 HydrophobicContact CD1-CE2 3.87Å; F193-F229 HydrophobicContact CD1-CZ 4.15Å; F193-F229 AromaticContact CE1-CE2 3.79Å; F193-F229 HydrophobicContact CE1-CE2 3.79Å; F193-F229 AromaticContact CE1-CZ 3.72Å; F193-F229 HydrophobicContact CE1-CZ 3.72Å; F193-L274 HydrophobicContact CE2-CD1 3.89Å; F193-L274 HydrophobicContact CZ-CD1 3.64Å; F193-M295 HydrophobicContact CD2-CE 3.67Å; F193-M295 HydrophobicContact CD2-SD 3.65Å; F193-M295 HydrophobicContact CE2-CE 3.49Å; F193-M295 VanDerWaalsContact CE2-CE 3.49Å; F193-M295 HydrophobicContact CE2-SD 3.59Å; F193-M295 VanDerWaalsContact CE2-SD 3.59Å; F193-M295 HydrophobicContact CZ-CE 4.33Å; F193-L298 HydrophobicContact CB-CD2 4.02Å; F193-L298 HydrophobicContact CD2-CD2 4.23Å; F193-F299 AromaticContact CD2-CE2 3.61Å; F193-F299 HydrophobicContact CD2-CE2 3.61Å; F193-F299 AromaticContact CD2-CZ 3.69Å; F193-F299 HydrophobicContact CD2-CZ 3.69Å; F193-F299 AromaticContact CE2-CE2 3.87Å; F193-F299 HydrophobicContact CE2-CE2 3.87Å; F193-F299 HydrophobicContact CE2-CZ 4.1Å; F193-F299 HydrophobicContact CG-CZ 4.39Å
194	R	92.4	Very high	88.8	Confident	45 Å²	45	32.8 Å²	32.8	17%	0.17	17%	0.173	C	C	.	.	H	α-helix	trans	-59.6	-38.7	174.9	-169.9	179.6	68	-145.7	7.5	112.5	F188 L190 L191 E192 L198 F229	F188-R194 HydrophobicContact CD2-CG 4Å; F188-R194 HydrophobicContact CE2-CG 3.91Å; F188-R194 WeakPolarHBondContact O-CD 3.46Å; L190-R194 PolarHBondContact O-N 3.11Å; L190-R194 VanDerWaalsContact O-N 3.07Å; L191-R194 WeakPolarHBondContact O-CB 3.46Å; L191-R194 PolarHBondContact O-N 3.28Å; E192-R194 VanDerWaalsContact C-N 3.27Å; E192-R194 PolarHBondContact O-N 3.47Å; R194-L198 HydrophobicContact CG-CD1 3.87Å; R194-L198 HydrophobicContact CG-CG 4.39Å; R194-L198 WeakPolarHBondContact O-CB 3.4Å; R194-L198 VanDerWaalsContact O-CG 3.22Å; R194-L198 WeakPolarHBondContact O-CG 3.43Å; R194-L198 PolarHBondContact O-N 3.25Å; R194-F229 HydrophobicContact CB-CD2 4.34Å; R194-F229 HydrophobicContact CB-CE2 4.32Å; R194-F229 HydrophobicContact CG-CD2 3.85Å; R194-F229 HydrophobicContact CG-CE2 4.27Å
195	R	89.4	Confident	87.1	Confident	37 Å²	37	37.6 Å²	37.6	14%	0.14	20%	0.199	C	C	.	.	H	α-helix	trans	-62.5	-50.6	173.1	-70.2	175.9	-177.6	104	16.9	112.1	L191 E192 F193 V197 L198 N199 F661 Q664 E666	L191-R195 WeakPolarHBondContact O-CG 3.3Å; L191-R195 PolarHBondContact O-N 3.27Å; E192-R195 WeakPolarHBondContact O-CB 3.43Å; E192-R195 PolarHBondContact O-N 3.32Å; E192-R195 VanDerWaalsContact O-N 3.09Å; E192-R195 WeakPolarHBondContact OE2-CD 3.33Å; E192-R195 IonicContact OE2-CZ 3.55Å; E192-R195 IonicContact OE2-NE 2.86Å; E192-R195 IonicContact OE2-NH1 3.41Å; E192-R195 PolarHBondContact OE2-NH1 2.94Å; F193-R195 VanDerWaalsContact C-N 3.31Å; F193-R195 PolarHBondContact O-N 3.41Å; R195-V197 VanDerWaalsContact C-N 3.27Å; R195-V197 PolarHBondContact O-N 3.44Å; R195-L198 PolarHBondContact O-N 3.42Å; R195-N199 VanDerWaalsContact O-CB 3.27Å; R195-N199 WeakPolarHBondContact O-CB 3.28Å; R195-N199 PolarHBondContact O-N 2.95Å; R195-N199 PolarHBondContact O-ND2 3.1Å; R195-F661 PolarHBondContact NH1-O 3.47Å; R195-Q664 PolarHBondContact NH2-O 3.42Å; R195-E666 WeakPolarHBondContact CD-OE1 3.15Å; R195-E666 VanDerWaalsContact CG-OE1 3.3Å; R195-E666 WeakPolarHBondContact CG-OE1 3.5Å; R195-E666 IonicContact CZ-OE1 3.59Å; R195-E666 IonicContact NE-OE1 3.06Å; R195-E666 PolarHBondContact NE-OE1 3.24Å
196	L	90.7	Very high	85.2	Confident	33 Å²	33	39.2 Å²	39.2	17%	0.173	21%	0.213	C	C	.	.	H	α-helix	trans	-54.6	-47.8	-179.6	-67.6	171.3	0	0	0	109.9	E192 F193 Y200 F278 P294 M295 L298	E192-L196 WeakPolarHBondContact O-CG 3.38Å; E192-L196 PolarHBondContact O-N 3.05Å; F193-L196 PolarHBondContact O-N 2.93Å; L196-Y200 PolarHBondContact O-N 3Å; L196-F278 HydrophobicContact CB-CE1 4.03Å; L196-F278 HydrophobicContact CB-CZ 3.96Å; L196-F278 VanDerWaalsContact O-CZ 3.32Å; L196-F278 WeakPolarHBondContact O-CZ 3.45Å; L196-P294 HydrophobicContact CD1-CB 4.02Å; L196-P294 HydrophobicContact CD2-CB 3.83Å; L196-P294 HydrophobicContact CD2-CG 4.04Å; L196-M295 HydrophobicContact CB-CE 3.91Å; L196-M295 HydrophobicContact CD1-CE 4.15Å; L196-M295 HydrophobicContact CD1-SD 4.25Å; L196-L298 HydrophobicContact CD1-CD2 4.2Å
197	V	92.4	Very high	83.1	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-64.4	-46.1	178.4	174.9	0	0	0	0	112.9	F193 R195 Y200 M222 L225 R226 F229 M295	F193-V197 HydrophobicContact CD1-CG2 4.07Å; F193-V197 HydrophobicContact CE1-CG2 3.64Å; F193-V197 HydrophobicContact CE2-CG2 4.41Å; F193-V197 HydrophobicContact CZ-CG2 3.85Å; F193-V197 WeakPolarHBondContact O-CG2 3.34Å; F193-V197 PolarHBondContact O-N 3.23Å; R195-V197 VanDerWaalsContact C-N 3.27Å; R195-V197 PolarHBondContact O-N 3.44Å; V197-Y200 WeakPolarHBondContact O-CB 3.44Å; V197-Y200 PolarHBondContact O-N 2.85Å; V197-M222 HydrophobicContact CB-CE 4.14Å; V197-M222 HydrophobicContact CG1-CE 4.03Å; V197-M222 HydrophobicContact CG2-CE 4.08Å; V197-L225 HydrophobicContact CG1-CD2 4.45Å; V197-L225 HydrophobicContact CG1-CG 4.26Å; V197-R226 HydrophobicContact CG1-CB 4.36Å; V197-R226 WeakPolarHBondContact O-CD 3.43Å; V197-R226 WeakPolarHBondContact O-CG 3.42Å; V197-F229 HydrophobicContact CB-CD2 3.75Å; V197-F229 HydrophobicContact CB-CE2 3.99Å; V197-F229 HydrophobicContact CG1-CB 4.29Å; V197-F229 HydrophobicContact CG1-CD1 4.47Å; V197-F229 HydrophobicContact CG1-CD2 3.56Å; V197-F229 HydrophobicContact CG1-CE2 4.04Å; V197-F229 HydrophobicContact CG1-CG 3.85Å; V197-F229 HydrophobicContact CG2-CD2 4.33Å; V197-F229 HydrophobicContact CG2-CE2 4.06Å; V197-M295 HydrophobicContact CG2-CE 4.31Å
198	L	91.8	Very high	81	Confident	6 Å²	6	54 Å²	54	3%	0.031	29%	0.286	C	S	.	.	H	α-helix	trans	-67.4	-37.3	-179.8	-72	171.3	0	0	0	112.8	R194 R195 Y200 R226 F229 A230 V233 L681 L685	R194-L198 HydrophobicContact CG-CD1 3.87Å; R194-L198 HydrophobicContact CG-CG 4.39Å; R194-L198 WeakPolarHBondContact O-CB 3.4Å; R194-L198 VanDerWaalsContact O-CG 3.22Å; R194-L198 WeakPolarHBondContact O-CG 3.43Å; R194-L198 PolarHBondContact O-N 3.25Å; R195-L198 PolarHBondContact O-N 3.42Å; L198-Y200 VanDerWaalsContact C-N 3.34Å; L198-R226 PolarHBondContact O-NE 3.32Å; L198-R226 PolarHBondContact O-NH2 3.09Å; L198-F229 HydrophobicContact CD2-CB 3.88Å; L198-F229 HydrophobicContact CG-CB 4.37Å; L198-A230 HydrophobicContact CD2-CB 4.31Å; L198-V233 HydrophobicContact CD1-CG2 4.36Å; L198-L681 HydrophobicContact CD1-CD2 4.01Å; L198-L681 HydrophobicContact CD2-CD2 3.81Å; L198-L685 HydrophobicContact CB-CD1 4.43Å; L198-L685 HydrophobicContact CD2-CD1 3.64Å
199	N	89.9	Confident	78.8	Confident	88 Å²	88	58.3 Å²	58.3	47%	0.471	31%	0.309	S	S	.	.	H	α-helix	trans	-86	-4.2	-179.4	-66.8	-37.6	0	0	0	113.5	R195	R195-N199 VanDerWaalsContact O-CB 3.27Å; R195-N199 WeakPolarHBondContact O-CB 3.28Å; R195-N199 PolarHBondContact O-N 2.95Å; R195-N199 PolarHBondContact O-ND2 3.1Å
200	Y	89.1	Confident	76.5	Confident	4 Å²	4	62.1 Å²	62.1	2%	0.016	34%	0.336	C	S	.	.			trans	-60.5	136.7	173.6	-173.2	-100.2	0	0	0	111.7	L196 V197 L198 P202 L219 M222 R226 A277 F278 K281	L196-Y200 PolarHBondContact O-N 3Å; V197-Y200 WeakPolarHBondContact O-CB 3.44Å; V197-Y200 PolarHBondContact O-N 2.85Å; L198-Y200 VanDerWaalsContact C-N 3.34Å; Y200-P202 HydrophobicContact CE1-CB 4.29Å; Y200-L219 WeakPolarHBondContact OH-CD2 3.45Å; Y200-M222 VanDerWaalsContact CB-CE 3.47Å; Y200-M222 HydrophobicContact CD1-CE 3.9Å; Y200-M222 HydrophobicContact CD1-CG 3.65Å; Y200-M222 HydrophobicContact CD2-CE 4.05Å; Y200-M222 HydrophobicContact CE1-CG 3.73Å; Y200-M222 HydrophobicContact CG-CE 3.52Å; Y200-M222 HydrophobicContact CG-CG 4.19Å; Y200-R226 VanDerWaalsContact O-CD 3.3Å; Y200-R226 WeakPolarHBondContact O-CD 3.45Å; Y200-R226 PolarHBondContact O-NE 3.1Å; Y200-A277 HydrophobicContact CE2-CB 4.49Å; Y200-A277 WeakPolarHBondContact CE2-O 3.44Å; Y200-A277 PolarHBondContact OH-O 3.44Å; Y200-F278 HydrophobicContact CD2-CD1 4.05Å; Y200-F278 HydrophobicContact CD2-CD2 4.4Å; Y200-F278 AromaticContact CD2-CE1 3.68Å; Y200-F278 HydrophobicContact CD2-CE1 3.68Å; Y200-F278 HydrophobicContact CD2-CE2 4.06Å; Y200-F278 HydrophobicContact CD2-CG 4.4Å; Y200-F278 AromaticContact CD2-CZ 3.68Å; Y200-F278 HydrophobicContact CD2-CZ 3.68Å; Y200-F278 HydrophobicContact CE2-CD1 4.45Å; Y200-F278 HydrophobicContact CE2-CG 4.49Å; Y200-F278 HydrophobicContact CG-CZ 4.2Å; Y200-K281 HydrophobicContact CD2-CD 4.13Å; Y200-K281 HydrophobicContact CE2-CB 4.13Å; Y200-K281 HydrophobicContact CE2-CD 4.17Å
201	K	82.8	Confident	74.3	Confident	138 Å²	138	73.5 Å²	73.5	60%	0.6	38%	0.379	S	S	*	.			trans	-129.5	133.1	168.1	-67.1	-178.2	180	178.3	0	107.6
202	P	77.1	Confident	72.2	Confident	75 Å²	75	79.2 Å²	79.2	49%	0.487	41%	0.409	S	S	.	.			trans	-66.9	144.5	179.7	28.3	-34.4	0	0	0	110.6	Y200	Y200-P202 HydrophobicContact CE1-CB 4.29Å
203	P	73.6	Confident	70.2	Confident	17 Å²	17	84.1 Å²	84.1	11%	0.11	43%	0.432	C	S	.	.			trans	-59.8	140.5	-179.9	21.1	-31.1	0	0	0	112	N205 A206 M280 E284	P203-N205 VanDerWaalsContact C-N 3.3Å; P203-N205 PolarHBondContact O-N 3.5Å; P203-A206 HydrophobicContact CG-CB 4.36Å; P203-A206 WeakPolarHBondContact O-CB 3.2Å; P203-A206 PolarHBondContact O-N 2.86Å; P203-M280 HydrophobicContact CG-CB 4.38Å; P203-E284 WeakPolarHBondContact CA-OE2 3.34Å; P203-E284 HydrophobicContact CB-CG 4.11Å; P203-E284 WeakPolarHBondContact CB-OE1 3.24Å; P203-E284 WeakPolarHBondContact CB-OE2 3.45Å
204	S	64	Low	68.1	Low	106 Å²	106	92.8 Å²	92.8	74%	0.741	47%	0.47	S	S	*	.	G	3₁₀ helix	trans	-71.8	-27.2	-169.5	-66.4	0	0	0	0	112.8	A206 E284	S204-A206 VanDerWaalsContact C-N 3.25Å; S204-A206 PolarHBondContact O-N 2.97Å; S204-E284 PolarHBondContact N-OE2 3.24Å
205	N	58.1	Low	66.3	Low	102 Å²	102	95 Å²	95	55%	0.545	48%	0.482	S	S	.	.	G	3₁₀ helix	trans	-79.7	-2.2	-178.6	-61	-63.6	0	0	0	113.7	P203 Q207 D208 E284	P203-N205 VanDerWaalsContact C-N 3.3Å; P203-N205 PolarHBondContact O-N 3.5Å; N205-Q207 PolarHBondContact O-N 2.91Å; N205-D208 PolarHBondContact O-N 3Å; N205-E284 PolarHBondContact ND2-OE1 3.04Å
206	A	54.7	Low	65.1	Low	39 Å²	39	97 Å²	97	32%	0.322	49%	0.493	S	S	.	.	G	3₁₀ helix	trans	-64.5	-6.1	-173.7	0	0	0	0	0	115.8	P203 S204 L219	P203-A206 HydrophobicContact CG-CB 4.36Å; P203-A206 WeakPolarHBondContact O-CB 3.2Å; P203-A206 PolarHBondContact O-N 2.86Å; S204-A206 VanDerWaalsContact C-N 3.25Å; S204-A206 PolarHBondContact O-N 2.97Å; A206-L219 HydrophobicContact CB-CD1 3.88Å
207	Q	51.3	Low	64.4	Low	180 Å²	180	100.5 Å²	100.5	84%	0.841	50%	0.504	S	S	*	.	G	3₁₀ helix	trans	-88.2	-21.7	177	-60.2	-169.9	29.7	0	0	113.7	N205	N205-Q207 PolarHBondContact O-N 2.91Å
208	D	49.7	Very low	63.9	Low	149 Å²	149	100.6 Å²	100.6	80%	0.797	50%	0.504	S	S	*	.	S	Bend	trans	-103.1	-2.9	-171.6	-74.4	-43.8	0	0	0	114.5	N205	N205-D208 PolarHBondContact O-N 3Å
209	L	49.1	Very low	63.5	Low	104 Å²	104	101.6 Å²	101.6	55%	0.545	51%	0.51	S	S	.	.	S	Bend	trans	-70.2	144.4	176.9	-95.6	75	0	0	0	112.4	R211	L209-R211 PolarHBondContact O-N 3.28Å
210	P	44.5	Very low	63.4	Low	110 Å²	110	99.6 Å²	99.6	71%	0.714	50%	0.502	S	S	*	.			trans	-65.7	123.3	-177.7	26.2	-33.7	0	0	0	111.6	N212	P210-N212 PolarHBondContact O-N 2.77Å
211	R	47	Very low	63.3	Low	239 Å²	239	99.5 Å²	99.5	90%	0.902	50%	0.501	S	S	*	.	S	Bend	trans	-68.7	38	-162.9	-153.1	-177.1	-164.9	177.7	5.8	116.6	L209	L209-R211 PolarHBondContact O-N 3.28Å
212	N	45.2	Very low	63.7	Low	143 Å²	143	93 Å²	93	77%	0.765	47%	0.473	S	S	*	.			trans	-142.5	63	-160.3	-138.1	23.4	0	0	0	113.9	P210	P210-N212 PolarHBondContact O-N 2.77Å
213	Q	49.7	Very low	64.3	Low	151 Å²	151	95.4 Å²	95.4	71%	0.706	47%	0.472	S	S	*	.	S	Bend	trans	-163.6	175.7	158.8	-116.5	147.5	135.9	0	0	111.5	E215	Q213-E215 VanDerWaalsContact C-N 3.34Å; Q213-E215 WeakPolarHBondContact CB-OE1 3.1Å; Q213-E215 WeakPolarHBondContact CB-OE2 3.48Å
214	K	47.4	Very low	65.2	Low	183 Å²	183	95.7 Å²	95.7	80%	0.796	47%	0.472	S	S	*	.	S	Bend	trans	-76.4	-22.4	-172.4	-74.6	-176.3	176.2	179.9	0	112.8	H216	K214-H216 PolarHBondContact O-N 3.01Å
215	E	54.7	Low	66.6	Low	90 Å²	90	90.6 Å²	90.6	42%	0.421	44%	0.437	S	S	.	.	G	3₁₀ helix	trans	-62.6	-29	-168.5	-60.5	86.7	-97.8	0	0	115.4	Q213 R217 N218	Q213-E215 VanDerWaalsContact C-N 3.34Å; Q213-E215 WeakPolarHBondContact CB-OE1 3.1Å; Q213-E215 WeakPolarHBondContact CB-OE2 3.48Å; E215-R217 PolarHBondContact O-N 3.12Å; E215-N218 VanDerWaalsContact O-CG 3.23Å; E215-N218 PolarHBondContact O-N 2.87Å; E215-N218 PolarHBondContact O-OD1 2.86Å
216	H	64.1	Low	68.3	Low	80 Å²	80	86.4 Å²	86.4	37%	0.37	41%	0.413	S	S	.	.	G	3₁₀ helix	trans	-62.3	10.7	-172.4	-75.8	-59.9	0	0	0	117.2	K214 P220	K214-H216 PolarHBondContact O-N 3.01Å; H216-P220 VanDerWaalsContact O-CD 3.25Å; H216-P220 WeakPolarHBondContact O-CD 3.26Å
217	R	76.5	Confident	70.2	Confident	107 Å²	107	87.7 Å²	87.7	40%	0.404	41%	0.41	S	S	.	.	G	3₁₀ helix	trans	-93.6	-18.4	174.8	-60.7	-170.2	-177.1	-164.6	4.8	113.8	E215 P220 F221 D251 W273	E215-R217 PolarHBondContact O-N 3.12Å; R217-P220 WeakPolarHBondContact O-CD 3.47Å; R217-F221 VanDerWaalsContact O-CB 3.31Å; R217-F221 WeakPolarHBondContact O-CB 3.43Å; R217-F221 PolarHBondContact O-N 2.66Å; R217-F221 VanDerWaalsContact O-N 3.13Å; R217-D251 PolarHBondContact NH1-O 3.04Å; R217-W273 HydrophobicContact CB-CH2 3.77Å; R217-W273 HydrophobicContact CB-CZ2 4Å; R217-W273 HydrophobicContact CB-CZ3 4.41Å
218	N	81.1	Confident	72.3	Confident	2 Å²	2	79.6 Å²	79.6	1%	0.011	37%	0.372	C	S	.	.	H	α-helix	trans	-60.7	-49.4	176.4	60.5	-2.8	0	0	0	112.5	E215 F221 M222 W273 D276	E215-N218 VanDerWaalsContact O-CG 3.23Å; E215-N218 PolarHBondContact O-N 2.87Å; E215-N218 PolarHBondContact O-OD1 2.86Å; N218-F221 PolarHBondContact O-N 3.38Å; N218-M222 VanDerWaalsContact O-CB 3.26Å; N218-M222 WeakPolarHBondContact O-CB 3.28Å; N218-M222 PolarHBondContact O-N 2.92Å; N218-W273 HydrophobicContact CB-CB 4.11Å; N218-W273 HydrophobicContact CB-CG 4.17Å; N218-D276 WeakPolarHBondContact ND2-CB 3.36Å
219	L	83.6	Confident	74.5	Confident	27 Å²	27	72.5 Å²	72.5	14%	0.141	33%	0.334	C	S	.	.	H	α-helix	trans	-64.7	-45	-177.7	-63.2	176.6	0	0	0	113.5	Y200 A206 R223 A277	Y200-L219 WeakPolarHBondContact OH-CD2 3.45Å; A206-L219 HydrophobicContact CB-CD1 3.88Å; L219-R223 PolarHBondContact O-N 2.98Å; L219-R223 VanDerWaalsContact O-N 3.08Å; L219-A277 HydrophobicContact CD2-CB 4.46Å
220	P	87.3	Confident	76.7	Confident	46 Å²	46	67.5 Å²	67.5	30%	0.299	31%	0.308	S	S	.	.	H	α-helix	trans	-60.1	-45.1	170.7	-25.4	34.8	0	0	0	113.2	H216 R217 R223 E224 I248	H216-P220 VanDerWaalsContact O-CD 3.25Å; H216-P220 WeakPolarHBondContact O-CD 3.26Å; R217-P220 WeakPolarHBondContact O-CD 3.47Å; P220-R223 PolarHBondContact O-N 3.37Å; P220-E224 PolarHBondContact O-N 3.02Å; P220-E224 VanDerWaalsContact O-N 3.12Å; P220-I248 HydrophobicContact CB-CD1 4.23Å
221	F	89	Confident	79.1	Confident	2 Å²	2	63.3 Å²	63.3	1%	0.009	28%	0.28	C	S	.	.	H	α-helix	trans	-60.9	-48.8	178.6	174.5	-95.6	0	0	0	111.4	F180 R217 N218 R223 E224 L225 A245 I248 L249 L270 W273	F180-F221 HydrophobicContact CE2-CE2 4.25Å; F180-F221 HydrophobicContact CE2-CZ 4.38Å; R217-F221 VanDerWaalsContact O-CB 3.31Å; R217-F221 WeakPolarHBondContact O-CB 3.43Å; R217-F221 PolarHBondContact O-N 2.66Å; R217-F221 VanDerWaalsContact O-N 3.13Å; N218-F221 PolarHBondContact O-N 3.38Å; F221-R223 VanDerWaalsContact C-N 3.26Å; F221-R223 PolarHBondContact O-N 3.34Å; F221-E224 PolarHBondContact O-N 2.73Å; F221-L225 HydrophobicContact CE1-CB 4.44Å; F221-L225 HydrophobicContact CE1-CD2 4.03Å; F221-L225 WeakPolarHBondContact O-CB 3.26Å; F221-L225 PolarHBondContact O-N 3.06Å; F221-A245 HydrophobicContact CD2-CB 4.47Å; F221-A245 HydrophobicContact CE2-CB 4.14Å; F221-I248 HydrophobicContact CB-CG2 3.92Å; F221-L249 HydrophobicContact CD2-CB 4.4Å; F221-L249 HydrophobicContact CE2-CB 4.24Å; F221-L249 HydrophobicContact CE2-CD1 4.48Å; F221-L270 HydrophobicContact CE1-CD1 3.45Å; F221-L270 VanDerWaalsContact CE1-CD1 3.45Å; F221-L270 HydrophobicContact CZ-CD1 3.59Å; F221-W273 HydrophobicContact CB-CE3 3.89Å; F221-W273 HydrophobicContact CB-CZ3 3.79Å; F221-W273 AromaticContact CD1-CE3 3.9Å; F221-W273 HydrophobicContact CD1-CE3 3.9Å; F221-W273 HydrophobicContact CD1-CZ3 4.42Å; F221-W273 HydrophobicContact CD2-CE3 4.44Å; F221-W273 HydrophobicContact CD2-CZ3 4.19Å; F221-W273 AromaticContact CG-CE3 3.81Å; F221-W273 HydrophobicContact CG-CE3 3.81Å; F221-W273 AromaticContact CG-CZ3 3.87Å; F221-W273 HydrophobicContact CG-CZ3 3.87Å
222	M	89.4	Confident	81.4	Confident	1 Å²	1	52 Å²	52	1%	0.005	24%	0.238	C	C	.	.	H	α-helix	trans	-60.1	-35.7	178.9	-177.9	54.4	-177.4	0	0	112.2	V197 Y200 N218 L225 R226 L274 A277 F278	V197-M222 HydrophobicContact CB-CE 4.14Å; V197-M222 HydrophobicContact CG1-CE 4.03Å; V197-M222 HydrophobicContact CG2-CE 4.08Å; Y200-M222 VanDerWaalsContact CB-CE 3.47Å; Y200-M222 HydrophobicContact CD1-CE 3.9Å; Y200-M222 HydrophobicContact CD1-CG 3.65Å; Y200-M222 HydrophobicContact CD2-CE 4.05Å; Y200-M222 HydrophobicContact CE1-CG 3.73Å; Y200-M222 HydrophobicContact CG-CE 3.52Å; Y200-M222 HydrophobicContact CG-CG 4.19Å; N218-M222 VanDerWaalsContact O-CB 3.26Å; N218-M222 WeakPolarHBondContact O-CB 3.28Å; N218-M222 PolarHBondContact O-N 2.92Å; M222-L225 HydrophobicContact SD-CD2 4.22Å; M222-R226 VanDerWaalsContact O-CB 3.3Å; M222-R226 WeakPolarHBondContact O-CB 3.2Å; M222-R226 PolarHBondContact O-N 3.45Å; M222-L274 HydrophobicContact CE-CD2 4.32Å; M222-L274 HydrophobicContact SD-CD2 3.47Å; M222-L274 WeakPolarHBondContact SD-CD2 3.36Å; M222-A277 HydrophobicContact CB-CB 4.49Å; M222-A277 HydrophobicContact CG-CB 4.41Å; M222-F278 HydrophobicContact CE-CE2 3.38Å; M222-F278 HydrophobicContact CE-CZ 3.59Å; M222-F278 HydrophobicContact SD-CE2 4.41Å
223	R	89.9	Confident	83.7	Confident	126 Å²	126	46 Å²	46	48%	0.475	21%	0.206	S	C	.	.	H	α-helix	trans	-66.7	-46.7	174.3	-169.5	-167.6	68.2	-149.4	-3.7	112.4	L219 P220 F221 L225 R226 Y227	L219-R223 PolarHBondContact O-N 2.98Å; L219-R223 VanDerWaalsContact O-N 3.08Å; P220-R223 PolarHBondContact O-N 3.37Å; F221-R223 VanDerWaalsContact C-N 3.26Å; F221-R223 PolarHBondContact O-N 3.34Å; R223-L225 VanDerWaalsContact C-N 3.33Å; R223-R226 PolarHBondContact O-N 3.23Å; R223-Y227 HydrophobicContact CG-CD2 4.18Å; R223-Y227 HydrophobicContact CG-CE2 3.76Å; R223-Y227 VanDerWaalsContact O-CD2 3.25Å; R223-Y227 WeakPolarHBondContact O-CD2 3.38Å; R223-Y227 PolarHBondContact O-N 3.02Å; R223-Y227 VanDerWaalsContact O-N 3.08Å
224	E	92.6	Very high	85.7	Confident	22 Å²	22	39.1 Å²	39.1	10%	0.103	18%	0.175	C	C	.	.	H	α-helix	trans	-68.7	-32.8	177.2	-58.4	-49.9	121.1	0	0	111.8	P220 F221 Y227 L228 R244 A245 I248	P220-E224 PolarHBondContact O-N 3.02Å; P220-E224 VanDerWaalsContact O-N 3.12Å; F221-E224 PolarHBondContact O-N 2.73Å; E224-Y227 PolarHBondContact O-N 3.29Å; E224-L228 WeakPolarHBondContact O-CB 3.45Å; E224-L228 PolarHBondContact O-N 2.93Å; E224-R244 HydrophobicContact CB-CB 4.48Å; E224-R244 HydrophobicContact CG-CB 4.36Å; E224-R244 WeakPolarHBondContact OE2-CD 3.49Å; E224-A245 HydrophobicContact CB-CB 4.26Å; E224-I248 HydrophobicContact CB-CD1 4.33Å; E224-I248 HydrophobicContact CG-CD1 3.64Å
225	L	93.8	Very high	87.9	Confident	0 Å²	0	30.5 Å²	30.5	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-62.9	-43.3	171.4	-176.2	66.6	0	0	0	111.7	I184 V197 F221 M222 R223 Y227 L228 F229 L274	I184-L225 HydrophobicContact CD1-CD1 3.91Å; V197-L225 HydrophobicContact CG1-CD2 4.45Å; V197-L225 HydrophobicContact CG1-CG 4.26Å; F221-L225 HydrophobicContact CE1-CB 4.44Å; F221-L225 HydrophobicContact CE1-CD2 4.03Å; F221-L225 WeakPolarHBondContact O-CB 3.26Å; F221-L225 PolarHBondContact O-N 3.06Å; M222-L225 HydrophobicContact SD-CD2 4.22Å; R223-L225 VanDerWaalsContact C-N 3.33Å; L225-Y227 PolarHBondContact O-N 3.17Å; L225-L228 WeakPolarHBondContact O-CB 3.26Å; L225-L228 PolarHBondContact O-N 3.35Å; L225-F229 HydrophobicContact CD1-CD1 3.92Å; L225-F229 HydrophobicContact CD1-CE1 3.56Å; L225-F229 HydrophobicContact CD1-CZ 4.44Å; L225-F229 HydrophobicContact CG-CD1 4.2Å; L225-F229 HydrophobicContact CG-CE1 4.09Å; L225-F229 WeakPolarHBondContact O-CB 3.43Å; L225-F229 VanDerWaalsContact O-CD1 3.32Å; L225-F229 WeakPolarHBondContact O-CD1 3.42Å; L225-F229 PolarHBondContact O-N 2.98Å; L225-L274 HydrophobicContact CD2-CD2 4Å
226	R	93.8	Very high	89.7	Confident	14 Å²	14	30.2 Å²	30.2	5%	0.053	14%	0.135	C	C	.	.	H	α-helix	trans	-60.8	-40.8	174.6	-180	175.3	178.5	-104.1	-2.8	112.3	V197 L198 Y200 M222 R223 A230 D684 L685	V197-R226 HydrophobicContact CG1-CB 4.36Å; V197-R226 WeakPolarHBondContact O-CD 3.43Å; V197-R226 WeakPolarHBondContact O-CG 3.42Å; L198-R226 PolarHBondContact O-NE 3.32Å; L198-R226 PolarHBondContact O-NH2 3.09Å; Y200-R226 VanDerWaalsContact O-CD 3.3Å; Y200-R226 WeakPolarHBondContact O-CD 3.45Å; Y200-R226 PolarHBondContact O-NE 3.1Å; M222-R226 VanDerWaalsContact O-CB 3.3Å; M222-R226 WeakPolarHBondContact O-CB 3.2Å; M222-R226 PolarHBondContact O-N 3.45Å; R223-R226 PolarHBondContact O-N 3.23Å; R226-A230 PolarHBondContact O-N 3.47Å; R226-A230 VanDerWaalsContact O-N 3.1Å; R226-D684 IonicContact CZ-OD2 2.62Å; R226-D684 VanDerWaalsContact CZ-OD2 3.24Å; R226-D684 IonicContact NH1-OD2 3.57Å; R226-D684 PolarHBondContact NH1-OD2 3.18Å; R226-D684 IonicContact NH2-OD1 2.67Å; R226-D684 PolarHBondContact NH2-OD1 2.91Å; R226-D684 VanDerWaalsContact NH2-OD1 3.13Å; R226-D684 IonicContact NH2-OD2 2.65Å; R226-D684 PolarHBondContact NH2-OD2 2.84Å; R226-L685 HydrophobicContact CG-CD1 3.78Å; R226-L685 HydrophobicContact CG-CD2 4.12Å
227	Y	94.8	Very high	91.1	Very high	66 Å²	66	28.7 Å²	28.7	26%	0.259	13%	0.126	S	C	.	.	H	α-helix	trans	-67.8	-39.5	172.3	-73	-53.7	0	0	0	113	R223 E224 L225 F229 A230 L231 L685 F688	R223-Y227 HydrophobicContact CG-CD2 4.18Å; R223-Y227 HydrophobicContact CG-CE2 3.76Å; R223-Y227 VanDerWaalsContact O-CD2 3.25Å; R223-Y227 WeakPolarHBondContact O-CD2 3.38Å; R223-Y227 PolarHBondContact O-N 3.02Å; R223-Y227 VanDerWaalsContact O-N 3.08Å; E224-Y227 PolarHBondContact O-N 3.29Å; L225-Y227 PolarHBondContact O-N 3.17Å; Y227-F229 VanDerWaalsContact C-N 3.33Å; Y227-F229 PolarHBondContact O-N 3.11Å; Y227-A230 WeakPolarHBondContact O-CB 3.44Å; Y227-A230 PolarHBondContact O-N 3.06Å; Y227-L231 WeakPolarHBondContact O-CG 3.4Å; Y227-L231 PolarHBondContact O-N 2.89Å; Y227-L231 VanDerWaalsContact O-N 3.1Å; Y227-L685 HydrophobicContact CD1-CD2 3.6Å; Y227-L685 HydrophobicContact CE1-CD2 3.72Å; Y227-F688 AromaticContact CD1-CD1 3.56Å; Y227-F688 HydrophobicContact CD1-CD1 3.56Å; Y227-F688 AromaticContact CD1-CE1 3.67Å; Y227-F688 HydrophobicContact CD1-CE1 3.67Å; Y227-F688 HydrophobicContact CD1-CG 4.01Å; Y227-F688 HydrophobicContact CD1-CZ 4.22Å; Y227-F688 HydrophobicContact CE1-CD1 4.2Å; Y227-F688 HydrophobicContact CE1-CG 4.21Å; Y227-F688 HydrophobicContact CG-CD1 4.38Å; Y227-F688 HydrophobicContact CG-CE1 4.04Å; Y227-F688 HydrophobicContact CG-CZ 4.36Å
228	L	95.8	Very high	91.9	Very high	9 Å²	9	28.3 Å²	28.3	5%	0.047	13%	0.127	C	C	.	.	H	α-helix	trans	-60.9	-42.4	174.7	-177.8	60.4	0	0	0	111.2	L171 F180 I184 E224 L225 L231 L232 V240 P242	L171-L228 HydrophobicContact CD2-CD1 3.89Å; F180-L228 HydrophobicContact CE1-CD2 4.05Å; F180-L228 HydrophobicContact CZ-CD2 4.42Å; I184-L228 HydrophobicContact CG2-CD2 4.4Å; E224-L228 WeakPolarHBondContact O-CB 3.45Å; E224-L228 PolarHBondContact O-N 2.93Å; L225-L228 WeakPolarHBondContact O-CB 3.26Å; L225-L228 PolarHBondContact O-N 3.35Å; L228-L231 PolarHBondContact O-N 3.46Å; L228-L232 HydrophobicContact CG-CD1 4.31Å; L228-L232 WeakPolarHBondContact O-CG 3.28Å; L228-L232 PolarHBondContact O-N 3.49Å; L228-V240 HydrophobicContact CD1-CB 4.25Å; L228-V240 HydrophobicContact CD1-CG1 3.54Å; L228-P242 HydrophobicContact CD1-CB 4.46Å; L228-P242 HydrophobicContact CD2-CB 4.05Å
229	F	95.8	Very high	92.6	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-64.3	-40.2	176.7	-86.3	38.1	0	0	0	111.8	I184 F188 F193 R194 V197 L198 L225 Y227 L231 L232 V233	I184-F229 HydrophobicContact CG2-CE1 3.94Å; F188-F229 HydrophobicContact CB-CE1 4.24Å; F188-F229 HydrophobicContact CB-CE2 4.24Å; F188-F229 HydrophobicContact CB-CZ 3.84Å; F188-F229 HydrophobicContact CD2-CB 4.33Å; F188-F229 HydrophobicContact CD2-CD1 4Å; F188-F229 AromaticContact CD2-CD2 3.76Å; F188-F229 HydrophobicContact CD2-CD2 3.76Å; F188-F229 HydrophobicContact CD2-CE1 4.13Å; F188-F229 AromaticContact CD2-CE2 3.9Å; F188-F229 HydrophobicContact CD2-CE2 3.9Å; F188-F229 AromaticContact CD2-CG 3.78Å; F188-F229 HydrophobicContact CD2-CG 3.78Å; F188-F229 HydrophobicContact CD2-CZ 4.06Å; F188-F229 HydrophobicContact CE2-CB 4.33Å; F188-F229 HydrophobicContact CE2-CD2 4.39Å; F188-F229 HydrophobicContact CE2-CG 4.27Å; F188-F229 WeakPolarHBondContact CE2-O 3.33Å; F188-F229 HydrophobicContact CG-CZ 4.48Å; F193-F229 AromaticContact CD1-CE2 3.87Å; F193-F229 HydrophobicContact CD1-CE2 3.87Å; F193-F229 HydrophobicContact CD1-CZ 4.15Å; F193-F229 AromaticContact CE1-CE2 3.79Å; F193-F229 HydrophobicContact CE1-CE2 3.79Å; F193-F229 AromaticContact CE1-CZ 3.72Å; F193-F229 HydrophobicContact CE1-CZ 3.72Å; R194-F229 HydrophobicContact CB-CD2 4.34Å; R194-F229 HydrophobicContact CB-CE2 4.32Å; R194-F229 HydrophobicContact CG-CD2 3.85Å; R194-F229 HydrophobicContact CG-CE2 4.27Å; V197-F229 HydrophobicContact CB-CD2 3.75Å; V197-F229 HydrophobicContact CB-CE2 3.99Å; V197-F229 HydrophobicContact CG1-CB 4.29Å; V197-F229 HydrophobicContact CG1-CD1 4.47Å; V197-F229 HydrophobicContact CG1-CD2 3.56Å; V197-F229 HydrophobicContact CG1-CE2 4.04Å; V197-F229 HydrophobicContact CG1-CG 3.85Å; V197-F229 HydrophobicContact CG2-CD2 4.33Å; V197-F229 HydrophobicContact CG2-CE2 4.06Å; L198-F229 HydrophobicContact CD2-CB 3.88Å; L198-F229 HydrophobicContact CG-CB 4.37Å; L225-F229 HydrophobicContact CD1-CD1 3.92Å; L225-F229 HydrophobicContact CD1-CE1 3.56Å; L225-F229 HydrophobicContact CD1-CZ 4.44Å; L225-F229 HydrophobicContact CG-CD1 4.2Å; L225-F229 HydrophobicContact CG-CE1 4.09Å; L225-F229 WeakPolarHBondContact O-CB 3.43Å; L225-F229 VanDerWaalsContact O-CD1 3.32Å; L225-F229 WeakPolarHBondContact O-CD1 3.42Å; L225-F229 PolarHBondContact O-N 2.98Å; Y227-F229 VanDerWaalsContact C-N 3.33Å; Y227-F229 PolarHBondContact O-N 3.11Å; F229-L231 PolarHBondContact O-N 2.89Å; F229-L232 PolarHBondContact O-N 2.81Å; F229-V233 WeakPolarHBondContact O-CG2 3.5Å; F229-V233 PolarHBondContact O-N 2.91Å; F229-V233 VanDerWaalsContact O-N 3.09Å
230	A	95	Very high	93.1	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-59.8	-45.3	174.7	0	0	0	0	0	112	L198 R226 Y227 V233 G234 L681 L685 V689	L198-A230 HydrophobicContact CD2-CB 4.31Å; R226-A230 PolarHBondContact O-N 3.47Å; R226-A230 VanDerWaalsContact O-N 3.1Å; Y227-A230 WeakPolarHBondContact O-CB 3.44Å; Y227-A230 PolarHBondContact O-N 3.06Å; A230-V233 PolarHBondContact O-N 2.94Å; A230-G234 PolarHBondContact O-N 2.95Å; A230-L681 HydrophobicContact CB-CD1 4.39Å; A230-L681 HydrophobicContact CB-CD2 4.22Å; A230-L685 HydrophobicContact CB-CB 3.86Å; A230-L685 HydrophobicContact CB-CD1 4.19Å; A230-L685 HydrophobicContact CB-CD2 4.22Å; A230-L685 HydrophobicContact CB-CG 4.32Å; A230-V689 HydrophobicContact CB-CG2 3.7Å; A230-V689 WeakPolarHBondContact O-CG2 2.96Å
231	L	95.4	Very high	93.4	Very high	21 Å²	21	29.7 Å²	29.7	11%	0.11	13%	0.131	C	C	.	.	H	α-helix	trans	-64.2	-45.8	177.3	-68.9	165.3	0	0	0	111.8	Y227 L228 F229 V233 G234 T235 V240 F688 V689 D692	Y227-L231 WeakPolarHBondContact O-CG 3.4Å; Y227-L231 PolarHBondContact O-N 2.89Å; Y227-L231 VanDerWaalsContact O-N 3.1Å; L228-L231 PolarHBondContact O-N 3.46Å; F229-L231 PolarHBondContact O-N 2.89Å; L231-V233 VanDerWaalsContact C-N 3.26Å; L231-V233 PolarHBondContact O-N 3.46Å; L231-G234 PolarHBondContact O-N 3.46Å; L231-T235 VanDerWaalsContact O-CB 3.23Å; L231-T235 WeakPolarHBondContact O-CB 3.44Å; L231-T235 WeakPolarHBondContact O-CG2 3.48Å; L231-T235 PolarHBondContact O-N 3.09Å; L231-V240 HydrophobicContact CB-CG1 3.98Å; L231-V240 HydrophobicContact CB-CG2 3.84Å; L231-V240 HydrophobicContact CD1-CG1 3.86Å; L231-F688 HydrophobicContact CD1-CE1 3.86Å; L231-F688 HydrophobicContact CD1-CZ 4.04Å; L231-F688 HydrophobicContact CD2-CE1 4.08Å; L231-F688 HydrophobicContact CG-CE1 3.78Å; L231-F688 HydrophobicContact CG-CZ 4.39Å; L231-V689 HydrophobicContact CD2-CG2 4.22Å; L231-D692 HydrophobicContact CD2-CB 3.95Å
232	L	94.9	Very high	93.6	Very high	3 Å²	3	29.8 Å²	29.8	2%	0.016	13%	0.132	C	C	.	.	H	α-helix	trans	-60.5	-32.1	177.7	-73.1	173.9	0	0	0	113.1	V169 L171 F188 L228 F229 V240	V169-L232 HydrophobicContact CB-CD2 3.92Å; V169-L232 HydrophobicContact CG1-CD2 3.85Å; V169-L232 WeakPolarHBondContact CG2-O 3.42Å; L171-L232 HydrophobicContact CD2-CD1 4.37Å; L171-L232 HydrophobicContact CD2-CD2 3.91Å; L171-L232 HydrophobicContact CD2-CG 4.47Å; L171-L232 HydrophobicContact CG-CD2 4.3Å; F188-L232 HydrophobicContact CD2-CB 4.1Å; F188-L232 HydrophobicContact CD2-CD1 3.98Å; F188-L232 HydrophobicContact CE1-CB 4.02Å; F188-L232 HydrophobicContact CE2-CB 3.51Å; F188-L232 HydrophobicContact CE2-CD1 4.26Å; F188-L232 HydrophobicContact CG-CD1 4.12Å; F188-L232 HydrophobicContact CZ-CB 3.47Å; F188-L232 VanDerWaalsContact CZ-CB 3.47Å; L228-L232 HydrophobicContact CG-CD1 4.31Å; L228-L232 WeakPolarHBondContact O-CG 3.28Å; L228-L232 PolarHBondContact O-N 3.49Å; F229-L232 PolarHBondContact O-N 2.81Å; L232-V240 HydrophobicContact CD2-CB 4.4Å; L232-V240 HydrophobicContact CD2-CG2 4.27Å
233	V	92.8	Very high	93.6	Very high	17 Å²	17	31 Å²	31	10%	0.103	14%	0.141	C	C	.	.	H	α-helix	trans	-68.4	-60.8	169.9	171.6	0	0	0	0	110.6	R163 F188 L198 F229 A230 L231 G677 L681	R163-V233 PolarHBondContact NH1-O 3.11Å; F188-V233 HydrophobicContact CE2-CG2 3.91Å; F188-V233 HydrophobicContact CZ-CG2 3.73Å; L198-V233 HydrophobicContact CD1-CG2 4.36Å; F229-V233 WeakPolarHBondContact O-CG2 3.5Å; F229-V233 PolarHBondContact O-N 2.91Å; F229-V233 VanDerWaalsContact O-N 3.09Å; A230-V233 PolarHBondContact O-N 2.94Å; L231-V233 VanDerWaalsContact C-N 3.26Å; L231-V233 PolarHBondContact O-N 3.46Å; V233-G677 VanDerWaalsContact CG1-O 3.23Å; V233-G677 WeakPolarHBondContact CG1-O 3.47Å; V233-L681 HydrophobicContact CB-CD2 4.18Å; V233-L681 HydrophobicContact CG1-CD2 4.19Å; V233-L681 HydrophobicContact CG1-CG 4.3Å; V233-L681 HydrophobicContact CG2-CD2 4.4Å
234	G	91.1	Very high	93.6	Very high	6 Å²	6	32.3 Å²	32.3	6%	0.062	15%	0.146	C	C	.	.	H	α-helix	trans	-109.6	0.1	-157.3	0	0	0	0	0	117.8	A230 L231 V689 N693	A230-G234 PolarHBondContact O-N 2.95Å; L231-G234 PolarHBondContact O-N 3.46Å; G234-V689 WeakPolarHBondContact O-CG1 3.24Å; G234-N693 PolarHBondContact O-ND2 2.95Å
235	T	93.9	Very high	93.4	Very high	2 Å²	2	31.4 Å²	31.4	1%	0.012	14%	0.142	C	C	.	.			trans	-70.4	148.3	-179.9	-166.6	0	0	0	0	112.9	R163 V169 L231 R237 V240 N693	R163-T235 WeakPolarHBondContact CD-O 3.3Å; R163-T235 PolarHBondContact NH1-O 3.4Å; V169-T235 HydrophobicContact CG1-CG2 3.82Å; V169-T235 HydrophobicContact CG2-CG2 4.05Å; L231-T235 VanDerWaalsContact O-CB 3.23Å; L231-T235 WeakPolarHBondContact O-CB 3.44Å; L231-T235 WeakPolarHBondContact O-CG2 3.48Å; L231-T235 PolarHBondContact O-N 3.09Å; T235-R237 HydrophobicContact CG2-CB 4.18Å; T235-R237 WeakPolarHBondContact CG2-O 3.47Å; T235-R237 WeakPolarHBondContact OG1-CB 3.34Å; T235-R237 PolarHBondContact OG1-N 2.92Å; T235-R237 VanDerWaalsContact OG1-N 3.12Å; T235-V240 HydrophobicContact CG2-CG2 3.85Å; T235-N693 WeakPolarHBondContact CA-OD1 3.23Å
236	K	93.6	Very high	93	Very high	83 Å²	83	31.4 Å²	31.4	36%	0.361	14%	0.142	S	C	.	.	S	Bend	trans	-87.4	-1.6	167	-66	174.4	-176.2	173.5	0	112.6	R163 N693 F696 E697	R163-K236 VanDerWaalsContact CB-O 3.25Å; R163-K236 WeakPolarHBondContact CB-O 3.37Å; R163-K236 PolarHBondContact N-O 3.41Å; K236-N693 WeakPolarHBondContact CB-OD1 3.43Å; K236-N693 HydrophobicContact CD-CB 4.04Å; K236-N693 HydrophobicContact CG-CB 4.39Å; K236-N693 WeakPolarHBondContact CG-OD1 3.43Å; K236-N693 PolarHBondContact N-OD1 3.4Å; K236-F696 HydrophobicContact CB-CD1 4.21Å; K236-E697 VanDerWaalsContact NZ-CD 3.32Å; K236-E697 IonicContact NZ-OE1 3.29Å; K236-E697 PolarHBondContact NZ-OE1 3.36Å; K236-E697 IonicContact NZ-OE2 2.72Å; K236-E697 PolarHBondContact NZ-OE2 3.36Å
237	R	93.9	Very high	92.6	Very high	49 Å²	49	36.3 Å²	36.3	19%	0.185	17%	0.165	C	C	.	.	B	Isolated β-bridge	trans	-82.6	147.8	173.9	-58.4	176.1	-169.6	-101.1	-9.5	110.8	T235 Y239 D692 F696 E699	T235-R237 HydrophobicContact CG2-CB 4.18Å; T235-R237 WeakPolarHBondContact CG2-O 3.47Å; T235-R237 WeakPolarHBondContact OG1-CB 3.34Å; T235-R237 PolarHBondContact OG1-N 2.92Å; T235-R237 VanDerWaalsContact OG1-N 3.12Å; R237-Y239 VanDerWaalsContact C-N 3.3Å; R237-Y239 WeakPolarHBondContact CB-O 3.5Å; R237-Y239 PolarHBondContact O-N 3.28Å; R237-D692 IonicContact CZ-OD2 3.54Å; R237-D692 IonicContact NE-OD2 2.67Å; R237-D692 PolarHBondContact NE-OD2 3.47Å; R237-D692 IonicContact NH2-OD2 2.74Å; R237-F696 HydrophobicContact CG-CB 4.28Å; R237-F696 HydrophobicContact CG-CD1 3.98Å; R237-F696 HydrophobicContact CG-CD2 3.84Å; R237-F696 HydrophobicContact CG-CE1 4.27Å; R237-F696 HydrophobicContact CG-CE2 4.15Å; R237-F696 HydrophobicContact CG-CG 3.76Å; R237-F696 HydrophobicContact CG-CZ 4.35Å; R237-E699 IonicContact CZ-OE1 3.27Å; R237-E699 VanDerWaalsContact CZ-OE1 3.27Å; R237-E699 IonicContact NH1-OE1 2.77Å; R237-E699 PolarHBondContact NH1-OE1 3.42Å; R237-E699 IonicContact NH1-OE2 3.55Å; R237-E699 IonicContact NH2-OE1 3.91Å; R237-E699 PolarHBondContact NH2-OE1 3.4Å
238	K	93.6	Very high	92.2	Very high	98 Å²	98	35 Å²	35	43%	0.426	16%	0.163	S	C	.	.	S	Bend	trans	-67.8	-29.1	-179.9	-178.6	177.9	176.6	-178.1	0	113.1	R161 G170	R161-K238 VanDerWaalsContact O-CB 3.31Å; R161-K238 WeakPolarHBondContact O-CB 3.35Å; R161-K238 PolarHBondContact O-N 2.89Å; G170-K238 PolarHBondContact N-O 3.23Å
239	Y	94.3	Very high	91.3	Very high	26 Å²	26	34.7 Å²	34.7	10%	0.102	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	163.7	177.9	59.9	-94.2	0	0	0	109.8	D154 R161 G170 K172 R237 I626	D154-Y239 PolarHBondContact OD1-OH 3.19Å; D154-Y239 PolarHBondContact OD2-OH 3.37Å; R161-Y239 HydrophobicContact CB-CE1 4.5Å; R161-Y239 WeakPolarHBondContact CD-OH 3.49Å; R161-Y239 HydrophobicContact CG-CE1 4.24Å; G170-Y239 CarbonylContact O-C 3.42Å; G170-Y239 WeakPolarHBondContact O-CA 3.25Å; G170-Y239 WeakPolarHBondContact O-CB 3.42Å; K172-Y239 HydrophobicContact CB-CD2 4.11Å; K172-Y239 HydrophobicContact CD-CD2 4.46Å; K172-Y239 HydrophobicContact CD-CE2 4.09Å; R237-Y239 VanDerWaalsContact C-N 3.3Å; R237-Y239 WeakPolarHBondContact CB-O 3.5Å; R237-Y239 PolarHBondContact O-N 3.28Å; Y239-I626 HydrophobicContact CD1-CB 3.91Å; Y239-I626 HydrophobicContact CD1-CD1 4.4Å; Y239-I626 HydrophobicContact CD1-CG2 3.95Å; Y239-I626 HydrophobicContact CD2-CG2 3.99Å; Y239-I626 HydrophobicContact CG-CB 3.91Å; Y239-I626 HydrophobicContact CG-CG2 3.57Å
240	V	95.2	Very high	90.2	Very high	11 Å²	11	37.8 Å²	37.8	7%	0.067	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	153.4	174.4	-179.6	0	0	0	0	109.9	V169 G170 L171 K172 L228 L231 L232 T235 P242	V169-V240 HydrophobicContact CG1-CG2 3.83Å; G170-V240 PolarHBondContact O-N 2.95Å; L171-V240 WeakPolarHBondContact CA-O 3.42Å; L171-V240 HydrophobicContact CD2-CB 4.28Å; K172-V240 PolarHBondContact N-O 3.33Å; L228-V240 HydrophobicContact CD1-CB 4.25Å; L228-V240 HydrophobicContact CD1-CG1 3.54Å; L231-V240 HydrophobicContact CB-CG1 3.98Å; L231-V240 HydrophobicContact CB-CG2 3.84Å; L231-V240 HydrophobicContact CD1-CG1 3.86Å; L232-V240 HydrophobicContact CD2-CB 4.4Å; L232-V240 HydrophobicContact CD2-CG2 4.27Å; T235-V240 HydrophobicContact CG2-CG2 3.85Å; V240-P242 WeakPolarHBondContact O-CD 3.06Å
241	D	93.4	Very high	88.9	Confident	67 Å²	67	41.6 Å²	41.6	36%	0.358	19%	0.194	S	C	.	.			trans	-93.5	114.2	176	-163.8	-52.2	0	0	0	110.7	K172 S243	K172-D241 WeakPolarHBondContact CD-OD2 3.48Å; K172-D241 IonicContact NZ-OD2 2.66Å; D241-S243 VanDerWaalsContact C-N 3.32Å; D241-S243 PolarHBondContact O-N 3.29Å; D241-S243 WeakPolarHBondContact OD1-CB 3.42Å; D241-S243 PolarHBondContact OD1-N 3.29Å; D241-S243 PolarHBondContact OD1-OG 3.18Å
242	P	93.5	Very high	87.5	Confident	4 Å²	4	41.5 Å²	41.5	3%	0.026	20%	0.197	C	C	.	.			trans	-84.7	1.2	-177.1	34.1	-34.8	0	0	0	114.2	L171 K172 V174 F180 L228 V240 R244 A245 V246	L171-P242 HydrophobicContact CD2-CB 4.27Å; L171-P242 HydrophobicContact CD2-CG 4.46Å; K172-P242 WeakPolarHBondContact O-CD 3.38Å; K172-P242 VanDerWaalsContact O-CG 3.28Å; K172-P242 WeakPolarHBondContact O-CG 3.47Å; V174-P242 HydrophobicContact CG2-CG 3.97Å; F180-P242 HydrophobicContact CD1-CB 4.05Å; F180-P242 HydrophobicContact CD1-CG 4.47Å; F180-P242 HydrophobicContact CE1-CB 3.65Å; L228-P242 HydrophobicContact CD1-CB 4.46Å; L228-P242 HydrophobicContact CD2-CB 4.05Å; V240-P242 WeakPolarHBondContact O-CD 3.06Å; P242-R244 VanDerWaalsContact C-N 3.29Å; P242-R244 PolarHBondContact O-N 3.36Å; P242-R244 VanDerWaalsContact O-N 3.08Å; P242-A245 PolarHBondContact O-N 2.97Å; P242-V246 HydrophobicContact CB-CG2 4.08Å; P242-V246 HydrophobicContact CG-CG2 4.32Å; P242-V246 WeakPolarHBondContact O-CG2 3.46Å; P242-V246 PolarHBondContact O-N 3.41Å; P242-V246 VanDerWaalsContact O-N 3.12Å
243	S	89.5	Confident	86	Confident	27 Å²	27	41.8 Å²	41.8	19%	0.189	20%	0.198	C	C	.	.	H	α-helix	trans	-40.7	-49.7	-173.7	42.3	0	0	0	0	114.4	D241 A245 V246 E247	D241-S243 VanDerWaalsContact C-N 3.32Å; D241-S243 PolarHBondContact O-N 3.29Å; D241-S243 WeakPolarHBondContact OD1-CB 3.42Å; D241-S243 PolarHBondContact OD1-N 3.29Å; D241-S243 PolarHBondContact OD1-OG 3.18Å; S243-A245 PolarHBondContact O-N 2.94Å; S243-V246 CarbonylContact O-C 3.49Å; S243-V246 PolarHBondContact O-N 2.98Å; S243-V246 VanDerWaalsContact O-N 3.13Å; S243-E247 WeakPolarHBondContact O-CB 3.45Å; S243-E247 WeakPolarHBondContact O-CG 3.46Å; S243-E247 PolarHBondContact O-N 2.91Å
244	R	89.7	Confident	84.4	Confident	154 Å²	154	48.1 Å²	48.1	58%	0.581	22%	0.224	S	C	*	.	H	α-helix	trans	-56.7	-43	-177.5	-60.9	-175.2	-175.3	-179.1	3	114.1	E224 P242 I248	E224-R244 HydrophobicContact CB-CB 4.48Å; E224-R244 HydrophobicContact CG-CB 4.36Å; E224-R244 WeakPolarHBondContact OE2-CD 3.49Å; P242-R244 VanDerWaalsContact C-N 3.29Å; P242-R244 PolarHBondContact O-N 3.36Å; P242-R244 VanDerWaalsContact O-N 3.08Å; R244-I248 WeakPolarHBondContact O-CG1 3.27Å
245	A	88.6	Confident	82.4	Confident	2 Å²	2	52.5 Å²	52.5	2%	0.017	25%	0.254	C	S	.	.	H	α-helix	trans	-75.1	-39.6	177.5	0	0	0	0	0	111	F180 F221 E224 P242 S243 E247 L249	F180-A245 HydrophobicContact CZ-CB 3.98Å; F221-A245 HydrophobicContact CD2-CB 4.47Å; F221-A245 HydrophobicContact CE2-CB 4.14Å; E224-A245 HydrophobicContact CB-CB 4.26Å; P242-A245 PolarHBondContact O-N 2.97Å; S243-A245 PolarHBondContact O-N 2.94Å; A245-E247 VanDerWaalsContact C-N 3.34Å; A245-E247 PolarHBondContact O-N 3.16Å; A245-L249 WeakPolarHBondContact O-CB 3.25Å; A245-L249 PolarHBondContact O-N 3.12Å
246	V	85.6	Confident	79.9	Confident	1 Å²	1	58.2 Å²	58.2	1%	0.006	28%	0.284	C	S	.	.	H	α-helix	trans	-65.1	-32.5	178.4	169.3	0	0	0	0	112.5	T177 F180 P242 S243 K250	T177-V246 HydrophobicContact CG2-CG1 3.77Å; F180-V246 HydrophobicContact CB-CG2 4.34Å; F180-V246 HydrophobicContact CD1-CG2 3.57Å; F180-V246 HydrophobicContact CD2-CG2 3.87Å; F180-V246 HydrophobicContact CE1-CG2 3.69Å; F180-V246 HydrophobicContact CE2-CG2 3.98Å; F180-V246 HydrophobicContact CG-CG2 3.66Å; F180-V246 HydrophobicContact CZ-CG2 3.89Å; P242-V246 HydrophobicContact CB-CG2 4.08Å; P242-V246 HydrophobicContact CG-CG2 4.32Å; P242-V246 WeakPolarHBondContact O-CG2 3.46Å; P242-V246 PolarHBondContact O-N 3.41Å; P242-V246 VanDerWaalsContact O-N 3.12Å; S243-V246 CarbonylContact O-C 3.49Å; S243-V246 PolarHBondContact O-N 2.98Å; S243-V246 VanDerWaalsContact O-N 3.13Å; V246-K250 HydrophobicContact CG1-CD 3.85Å; V246-K250 HydrophobicContact CG1-CG 4.24Å; V246-K250 VanDerWaalsContact O-CB 3.3Å; V246-K250 WeakPolarHBondContact O-CB 3.39Å; V246-K250 VanDerWaalsContact O-CG 3.26Å; V246-K250 WeakPolarHBondContact O-CG 3.49Å; V246-K250 PolarHBondContact O-N 3.31Å
247	E	85.2	Confident	77.2	Confident	116 Å²	116	61.4 Å²	61.4	54%	0.542	31%	0.305	S	S	.	.	H	α-helix	trans	-71.1	-47.2	178.5	-78.4	172	-173.1	0	0	112.2	S243 A245 L249 K250 D251	S243-E247 WeakPolarHBondContact O-CB 3.45Å; S243-E247 WeakPolarHBondContact O-CG 3.46Å; S243-E247 PolarHBondContact O-N 2.91Å; A245-E247 VanDerWaalsContact C-N 3.34Å; A245-E247 PolarHBondContact O-N 3.16Å; E247-L249 PolarHBondContact O-N 3.29Å; E247-K250 PolarHBondContact O-N 3.32Å; E247-D251 WeakPolarHBondContact O-CB 3.46Å; E247-D251 PolarHBondContact O-N 3.44Å
248	I	84.6	Confident	74.6	Confident	40 Å²	40	64.8 Å²	64.8	21%	0.205	34%	0.337	C	S	.	.	H	α-helix	trans	-57.1	-40.5	175.1	-61.8	166.7	0	0	0	110.5	P220 F221 E224 R244	P220-I248 HydrophobicContact CB-CD1 4.23Å; F221-I248 HydrophobicContact CB-CG2 3.92Å; E224-I248 HydrophobicContact CB-CD1 4.33Å; E224-I248 HydrophobicContact CG-CD1 3.64Å; R244-I248 WeakPolarHBondContact O-CG1 3.27Å
249	L	77.3	Confident	72.2	Confident	1 Å²	1	68.2 Å²	68.2	1%	0.005	35%	0.354	C	S	.	.	H	α-helix	trans	-67.8	-53.9	176.8	-176.5	75.6	0	0	0	112.1	W179 F180 F221 A245 E247 D251 A252 F253 F266 W273	W179-L249 HydrophobicContact CH2-CD2 3.75Å; W179-L249 HydrophobicContact CZ3-CD2 3.8Å; F180-L249 HydrophobicContact CD2-CD2 3.9Å; F180-L249 HydrophobicContact CE2-CD2 4.11Å; F221-L249 HydrophobicContact CD2-CB 4.4Å; F221-L249 HydrophobicContact CE2-CB 4.24Å; F221-L249 HydrophobicContact CE2-CD1 4.48Å; A245-L249 WeakPolarHBondContact O-CB 3.25Å; A245-L249 PolarHBondContact O-N 3.12Å; E247-L249 PolarHBondContact O-N 3.29Å; L249-D251 PolarHBondContact O-N 3.13Å; L249-A252 WeakPolarHBondContact O-CA 3.5Å; L249-A252 WeakPolarHBondContact O-CB 3.42Å; L249-A252 PolarHBondContact O-N 3.07Å; L249-F253 HydrophobicContact CD1-CE2 3.81Å; L249-F253 HydrophobicContact CG-CD2 4.43Å; L249-F253 HydrophobicContact CG-CE2 3.92Å; L249-F253 WeakPolarHBondContact O-CD2 3.35Å; L249-F266 HydrophobicContact CD1-CD2 3.93Å; L249-F266 HydrophobicContact CD1-CE2 3.73Å; L249-F266 HydrophobicContact CD2-CD2 3.57Å; L249-F266 HydrophobicContact CD2-CE2 3.26Å; L249-F266 HydrophobicContact CD2-CZ 4.02Å; L249-F266 HydrophobicContact CG-CD2 4.29Å; L249-F266 HydrophobicContact CG-CE2 4.12Å; L249-W273 HydrophobicContact CD1-CZ3 4.27Å
250	K	73.9	Confident	69.8	Low	66 Å²	66	71.1 Å²	71.1	29%	0.287	37%	0.368	S	S	.	.	H	α-helix	trans	-52.9	-44.3	177.8	-82.4	175.6	176.6	174.9	0	110.8	V174 G175 T177 V246 E247 A252 F253 K254	V174-K250 PolarHBondContact O-NZ 3.3Å; G175-K250 PolarHBondContact O-NZ 3.2Å; T177-K250 VanDerWaalsContact CG2-CE 3.41Å; V246-K250 HydrophobicContact CG1-CD 3.85Å; V246-K250 HydrophobicContact CG1-CG 4.24Å; V246-K250 VanDerWaalsContact O-CB 3.3Å; V246-K250 WeakPolarHBondContact O-CB 3.39Å; V246-K250 VanDerWaalsContact O-CG 3.26Å; V246-K250 WeakPolarHBondContact O-CG 3.49Å; V246-K250 PolarHBondContact O-N 3.31Å; E247-K250 PolarHBondContact O-N 3.32Å; K250-A252 PolarHBondContact O-N 3.09Å; K250-A252 VanDerWaalsContact O-N 3.16Å; K250-F253 PolarHBondContact O-N 3.09Å; K250-F253 VanDerWaalsContact O-N 3.14Å; K250-K254 WeakPolarHBondContact O-CG 3.4Å; K250-K254 PolarHBondContact O-N 3.46Å
251	D	67.4	Low	67.8	Low	79 Å²	79	72.9 Å²	72.9	42%	0.422	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-25.5	176.4	-90.1	12	0	0	0	114	R217 E247 L249 K254	R217-D251 PolarHBondContact NH1-O 3.04Å; E247-D251 WeakPolarHBondContact O-CB 3.46Å; E247-D251 PolarHBondContact O-N 3.44Å; L249-D251 PolarHBondContact O-N 3.13Å; D251-K254 VanDerWaalsContact OD1-CE 3.23Å; D251-K254 WeakPolarHBondContact OD1-CE 3.23Å; D251-K254 IonicContact OD1-NZ 3.76Å; D251-K254 PolarHBondContact OD1-NZ 3.31Å
252	A	66.6	Low	66.3	Low	19 Å²	19	73 Å²	73	16%	0.157	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-0.3	-179.3	0	0	0	0	0	114.5	L249 K250 K269 W273	L249-A252 WeakPolarHBondContact O-CA 3.5Å; L249-A252 WeakPolarHBondContact O-CB 3.42Å; L249-A252 PolarHBondContact O-N 3.07Å; K250-A252 PolarHBondContact O-N 3.09Å; K250-A252 VanDerWaalsContact O-N 3.16Å; A252-K269 PolarHBondContact O-NZ 3.36Å; A252-W273 HydrophobicContact CB-CH2 3.42Å; A252-W273 VanDerWaalsContact CB-CH2 3.42Å; A252-W273 HydrophobicContact CB-CZ2 3.61Å
253	F	63.3	Low	64.9	Low	10 Å²	10	72.9 Å²	72.9	4%	0.044	38%	0.376	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111	-12.1	169.3	-66.9	-85.6	0	0	0	113.3	L249 K250 S255 N256 Q261 E265 K269	L249-F253 HydrophobicContact CD1-CE2 3.81Å; L249-F253 HydrophobicContact CG-CD2 4.43Å; L249-F253 HydrophobicContact CG-CE2 3.92Å; L249-F253 WeakPolarHBondContact O-CD2 3.35Å; K250-F253 PolarHBondContact O-N 3.09Å; K250-F253 VanDerWaalsContact O-N 3.14Å; F253-S255 PolarHBondContact O-N 3.3Å; F253-N256 PolarHBondContact O-N 2.82Å; F253-Q261 HydrophobicContact CB-CG 4.21Å; F253-Q261 HydrophobicContact CD1-CG 3.68Å; F253-Q261 HydrophobicContact CD2-CG 4.28Å; F253-Q261 VanDerWaalsContact CD2-OE1 3.31Å; F253-Q261 HydrophobicContact CE1-CG 3.97Å; F253-Q261 HydrophobicContact CG-CG 3.83Å; F253-Q261 HydrophobicContact CZ-CG 4.36Å; F253-E265 WeakPolarHBondContact CD1-OE1 3.39Å; F253-E265 HydrophobicContact CE1-CG 4.02Å; F253-E265 VanDerWaalsContact CE1-OE1 3.25Å; F253-E265 WeakPolarHBondContact CE1-OE1 3.4Å; F253-K269 HydrophobicContact CD1-CD 4.33Å; F253-K269 HydrophobicContact CE1-CD 3.47Å; F253-K269 VanDerWaalsContact CE1-CD 3.47Å; F253-K269 HydrophobicContact CE2-CD 3.86Å; F253-K269 HydrophobicContact CZ-CB 4.31Å; F253-K269 HydrophobicContact CZ-CD 3.21Å; F253-K269 HydrophobicContact CZ-CG 4.41Å
254	K	58.6	Low	63.8	Low	150 Å²	150	72.7 Å²	72.7	65%	0.652	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	4.1	-179.2	-78.8	-178.4	-173.6	171.4	0	116.9	K250 D251	K250-K254 WeakPolarHBondContact O-CG 3.4Å; K250-K254 PolarHBondContact O-N 3.46Å; D251-K254 VanDerWaalsContact OD1-CE 3.23Å; D251-K254 WeakPolarHBondContact OD1-CE 3.23Å; D251-K254 IonicContact OD1-NZ 3.76Å; D251-K254 PolarHBondContact OD1-NZ 3.31Å
255	S	48.5	Very low	63.1	Low	98 Å²	98	69.8 Å²	69.8	69%	0.685	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84	-14.8	174.1	59.4	0	0	0	0	114.2	F253	F253-S255 PolarHBondContact O-N 3.3Å
256	N	41.6	Very low	62.5	Low	122 Å²	122	69.7 Å²	69.7	65%	0.652	37%	0.367	S	S	*	.	S	Bend	trans	-115.7	139.9	178.2	-60.6	10.9	0	0	0	108.7	F253 S258	F253-N256 PolarHBondContact O-N 2.82Å; N256-S258 PolarHBondContact O-N 2.79Å
257	D	36.9	Very low	61.9	Low	149 Å²	149	70.3 Å²	70.3	80%	0.797	37%	0.371	S	S	*	.			trans	-74	118.9	-167.2	-100.9	-42.9	0	0	0	114.4	Q259	D257-Q259 PolarHBondContact O-N 3.4Å
258	S	39.4	Very low	61.6	Low	121 Å²	121	70.3 Å²	70.3	85%	0.846	37%	0.37	S	S	*	.	S	Bend	trans	54.2	-1.2	150.6	69.8	0	0	0	0	121.1	N256	N256-S258 PolarHBondContact O-N 2.79Å
259	Q	43.4	Very low	61.5	Low	170 Å²	170	70.5 Å²	70.5	79%	0.794	37%	0.37	S	S	*	.	P	Polyproline II helix	trans	-73.5	144.5	171.3	-66.9	-178.5	-11.9	0	0	110.8	D257	D257-Q259 PolarHBondContact O-N 3.4Å
260	Q	44.7	Very low	61.8	Low	86 Å²	86	70.5 Å²	70.5	40%	0.402	37%	0.37	S	S	.	.	P	Polyproline II helix	trans	-70.4	130.5	169.2	-59.5	-168.2	55	0	0	107.9	N176 N604	N176-Q260 PolarHBondContact ND2-OE1 3.32Å; N176-Q260 VanDerWaalsContact ND2-OE1 3.16Å; Q260-N604 WeakPolarHBondContact CB-O 3.31Å; Q260-N604 WeakPolarHBondContact CG-O 3.14Å; Q260-N604 PolarHBondContact NE2-O 3.24Å
261	Q	53.2	Low	62.1	Low	48 Å²	48	68.3 Å²	68.3	22%	0.224	36%	0.361	C	S	.	.	P	Polyproline II helix	trans	-63.8	142.3	178.7	-79.9	104.1	72.1	0	0	110.8	F253	F253-Q261 HydrophobicContact CB-CG 4.21Å; F253-Q261 HydrophobicContact CD1-CG 3.68Å; F253-Q261 HydrophobicContact CD2-CG 4.28Å; F253-Q261 VanDerWaalsContact CD2-OE1 3.31Å; F253-Q261 HydrophobicContact CE1-CG 3.97Å; F253-Q261 HydrophobicContact CG-CG 3.83Å; F253-Q261 HydrophobicContact CZ-CG 4.36Å
262	D	60.2	Low	63	Low	71 Å²	71	67.2 Å²	67.2	38%	0.38	36%	0.355	S	S	.	.	P	Polyproline II helix	trans	-68.3	145.5	166.2	-160.5	-53.8	0	0	0	109.4	S264 E265 F266	D262-S264 PolarHBondContact O-N 3.25Å; D262-S264 WeakPolarHBondContact OD1-CB 3.37Å; D262-S264 PolarHBondContact OD1-N 2.91Å; D262-E265 HydrophobicContact CB-CB 4.43Å; D262-E265 PolarHBondContact O-N 2.92Å; D262-F266 PolarHBondContact O-N 3.19Å; D262-F266 VanDerWaalsContact O-N 3.14Å
263	V	64.3	Low	63.9	Low	0 Å²	0	67.7 Å²	67.7	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-68.8	-27.7	177.5	-164.2	0	0	0	0	111	W179 V183 F266 T267 Y608 Y650	W179-V263 HydrophobicContact CB-CB 4.2Å; W179-V263 HydrophobicContact CB-CG1 3.83Å; W179-V263 HydrophobicContact CB-CG2 3.35Å; W179-V263 HydrophobicContact CG-CG2 4.13Å; V183-V263 HydrophobicContact CG2-CG1 3.65Å; V263-F266 PolarHBondContact O-N 3.45Å; V263-T267 PolarHBondContact O-N 3.01Å; V263-T267 PolarHBondContact O-OG1 2.73Å; V263-Y608 HydrophobicContact CB-CE1 4.32Å; V263-Y608 HydrophobicContact CG2-CD1 3.82Å; V263-Y608 HydrophobicContact CG2-CD2 4.32Å; V263-Y608 HydrophobicContact CG2-CE1 3.3Å; V263-Y608 HydrophobicContact CG2-CE2 3.9Å; V263-Y608 HydrophobicContact CG2-CG 4.28Å; V263-Y650 HydrophobicContact CB-CE2 4.06Å; V263-Y650 HydrophobicContact CG1-CE2 4.08Å; V263-Y650 WeakPolarHBondContact CG1-OH 3.01Å
264	S	67.5	Low	64.9	Low	23 Å²	23	67.2 Å²	67.2	16%	0.161	35%	0.351	C	S	.	.	H	α-helix	trans	-62.2	-47.2	172.1	-168.8	0	0	0	0	111.8	D262 F266 T267 H268 E373	D262-S264 PolarHBondContact O-N 3.25Å; D262-S264 WeakPolarHBondContact OD1-CB 3.37Å; D262-S264 PolarHBondContact OD1-N 2.91Å; S264-F266 VanDerWaalsContact C-N 3.28Å; S264-F266 PolarHBondContact O-N 2.89Å; S264-T267 WeakPolarHBondContact CA-OG1 3.43Å; S264-T267 PolarHBondContact O-N 2.82Å; S264-T267 PolarHBondContact O-OG1 2.59Å; S264-H268 PolarHBondContact O-N 3.45Å; S264-E373 WeakPolarHBondContact CB-OE1 3.46Å; S264-E373 PolarHBondContact OG-OE1 3.1Å; S264-E373 PolarHBondContact OG-OE2 3.4Å
265	E	73.8	Confident	66.2	Low	93 Å²	93	62.7 Å²	62.7	44%	0.435	33%	0.332	S	S	.	.	H	α-helix	trans	-60.5	-38.8	175	-164.4	-163.9	168.2	0	0	111.2	F253 D262 K269	F253-E265 WeakPolarHBondContact CD1-OE1 3.39Å; F253-E265 HydrophobicContact CE1-CG 4.02Å; F253-E265 VanDerWaalsContact CE1-OE1 3.25Å; F253-E265 WeakPolarHBondContact CE1-OE1 3.4Å; D262-E265 HydrophobicContact CB-CB 4.43Å; D262-E265 PolarHBondContact O-N 2.92Å; E265-K269 WeakPolarHBondContact O-CB 3.32Å; E265-K269 PolarHBondContact O-N 3.49Å; E265-K269 VanDerWaalsContact O-N 3.17Å
266	F	75.8	Confident	67.9	Low	0 Å²	0	61.1 Å²	61.1	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-66.3	-49.5	173.1	171.2	-122.3	0	0	0	112.9	W179 F180 V183 L249 D262 V263 S264 H268 K269 L270	W179-F266 HydrophobicContact CE3-CB 4.07Å; W179-F266 AromaticContact CE3-CD1 3.39Å; W179-F266 HydrophobicContact CE3-CD1 3.39Å; W179-F266 HydrophobicContact CE3-CD2 4.48Å; W179-F266 AromaticContact CE3-CE1 3.9Å; W179-F266 HydrophobicContact CE3-CE1 3.9Å; W179-F266 AromaticContact CE3-CG 3.71Å; W179-F266 HydrophobicContact CE3-CG 3.71Å; W179-F266 HydrophobicContact CH2-CG 4.38Å; W179-F266 HydrophobicContact CZ3-CB 3.87Å; W179-F266 AromaticContact CZ3-CD1 3.44Å; W179-F266 HydrophobicContact CZ3-CD1 3.44Å; W179-F266 VanDerWaalsContact CZ3-CD1 3.44Å; W179-F266 AromaticContact CZ3-CD2 3.72Å; W179-F266 HydrophobicContact CZ3-CD2 3.72Å; W179-F266 AromaticContact CZ3-CE1 3.83Å; W179-F266 HydrophobicContact CZ3-CE1 3.83Å; W179-F266 HydrophobicContact CZ3-CE2 4.12Å; W179-F266 AromaticContact CZ3-CG 3.35Å; W179-F266 HydrophobicContact CZ3-CG 3.35Å; W179-F266 HydrophobicContact CZ3-CZ 4.16Å; F180-F266 AromaticContact CD2-CE1 3.89Å; F180-F266 HydrophobicContact CD2-CE1 3.89Å; F180-F266 HydrophobicContact CD2-CE2 4.11Å; F180-F266 AromaticContact CD2-CZ 3.41Å; F180-F266 HydrophobicContact CD2-CZ 3.41Å; F180-F266 VanDerWaalsContact CD2-CZ 3.41Å; F180-F266 HydrophobicContact CE2-CE2 4.36Å; F180-F266 AromaticContact CE2-CZ 3.77Å; F180-F266 HydrophobicContact CE2-CZ 3.77Å; F180-F266 HydrophobicContact CG-CZ 4.42Å; V183-F266 HydrophobicContact CB-CD1 4.33Å; V183-F266 HydrophobicContact CB-CE1 3.87Å; V183-F266 HydrophobicContact CG1-CD1 4.3Å; V183-F266 HydrophobicContact CG1-CE1 3.73Å; V183-F266 HydrophobicContact CG2-CD1 4.2Å; V183-F266 HydrophobicContact CG2-CE1 4.25Å; L249-F266 HydrophobicContact CD1-CD2 3.93Å; L249-F266 HydrophobicContact CD1-CE2 3.73Å; L249-F266 HydrophobicContact CD2-CD2 3.57Å; L249-F266 HydrophobicContact CD2-CE2 3.26Å; L249-F266 HydrophobicContact CD2-CZ 4.02Å; L249-F266 HydrophobicContact CG-CD2 4.29Å; L249-F266 HydrophobicContact CG-CE2 4.12Å; D262-F266 PolarHBondContact O-N 3.19Å; D262-F266 VanDerWaalsContact O-N 3.14Å; V263-F266 PolarHBondContact O-N 3.45Å; S264-F266 VanDerWaalsContact C-N 3.28Å; S264-F266 PolarHBondContact O-N 2.89Å; F266-H268 VanDerWaalsContact C-N 3.29Å; F266-H268 PolarHBondContact O-N 2.99Å; F266-K269 PolarHBondContact O-N 3.04Å; F266-L270 HydrophobicContact CD2-CB 4.28Å; F266-L270 HydrophobicContact CE1-CD2 4.1Å; F266-L270 HydrophobicContact CE2-CB 3.83Å; F266-L270 HydrophobicContact CE2-CD1 4.35Å; F266-L270 HydrophobicContact CE2-CD2 4.3Å; F266-L270 HydrophobicContact CE2-CG 4.38Å; F266-L270 HydrophobicContact CZ-CB 4.11Å; F266-L270 HydrophobicContact CZ-CD1 4.31Å; F266-L270 HydrophobicContact CZ-CD2 3.72Å; F266-L270 HydrophobicContact CZ-CG 4.26Å; F266-L270 WeakPolarHBondContact O-CB 3.27Å; F266-L270 PolarHBondContact O-N 3.47Å
267	T	74.8	Confident	69.9	Low	15 Å²	15	55.3 Å²	55.3	9%	0.092	29%	0.285	C	S	.	.	H	α-helix	trans	-60.7	-39.9	-178.1	40	0	0	0	0	111.9	V183 V263 S264 L271	V183-T267 HydrophobicContact CB-CG2 4.35Å; V183-T267 HydrophobicContact CG1-CG2 3.8Å; V183-T267 HydrophobicContact CG2-CG2 3.53Å; V263-T267 PolarHBondContact O-N 3.01Å; V263-T267 PolarHBondContact O-OG1 2.73Å; S264-T267 WeakPolarHBondContact CA-OG1 3.43Å; S264-T267 PolarHBondContact O-N 2.82Å; S264-T267 PolarHBondContact O-OG1 2.59Å; T267-L271 VanDerWaalsContact O-CG 3.31Å; T267-L271 WeakPolarHBondContact O-CG 2.96Å; T267-L271 PolarHBondContact O-N 3.47Å; T267-L271 VanDerWaalsContact O-N 3.1Å
268	H	78.4	Confident	72.2	Confident	116 Å²	116	48.7 Å²	48.7	54%	0.537	25%	0.249	S	C	.	.	H	α-helix	trans	-61.1	-57.3	175.1	-162.7	-57	0	0	0	110.6	S264 F266 L270 L271 D272	S264-H268 PolarHBondContact O-N 3.45Å; F266-H268 VanDerWaalsContact C-N 3.29Å; F266-H268 PolarHBondContact O-N 2.99Å; H268-L270 VanDerWaalsContact C-N 3.28Å; H268-L270 PolarHBondContact O-N 2.85Å; H268-L271 CarbonylContact O-C 3.5Å; H268-L271 WeakPolarHBondContact O-CA 3.47Å; H268-L271 PolarHBondContact O-N 3.08Å; H268-D272 IonicContact CE1-OD1 2.69Å; H268-D272 PolarHBondContact CE1-OD1 3.47Å; H268-D272 IonicContact CE1-OD2 2.96Å; H268-D272 IonicContact CG-OD2 3.6Å; H268-D272 VanDerWaalsContact ND1-CG 3.26Å; H268-D272 IonicContact ND1-OD1 3.52Å; H268-D272 PolarHBondContact ND1-OD1 3.09Å; H268-D272 IonicContact ND1-OD2 3.7Å; H268-D272 PolarHBondContact ND1-OD2 3.03Å; H268-D272 PolarHBondContact O-N 3.35Å
269	K	82.3	Confident	74.4	Confident	44 Å²	44	45.3 Å²	45.3	19%	0.191	22%	0.22	C	C	.	.	H	α-helix	trans	-65.6	-28.4	-176.6	-162.4	-176.4	-168.8	168.7	0	114	A252 F253 E265 F266 D272 W273	A252-K269 PolarHBondContact O-NZ 3.36Å; F253-K269 HydrophobicContact CD1-CD 4.33Å; F253-K269 HydrophobicContact CE1-CD 3.47Å; F253-K269 VanDerWaalsContact CE1-CD 3.47Å; F253-K269 HydrophobicContact CE2-CD 3.86Å; F253-K269 HydrophobicContact CZ-CB 4.31Å; F253-K269 HydrophobicContact CZ-CD 3.21Å; F253-K269 HydrophobicContact CZ-CG 4.41Å; E265-K269 WeakPolarHBondContact O-CB 3.32Å; E265-K269 PolarHBondContact O-N 3.49Å; E265-K269 VanDerWaalsContact O-N 3.17Å; F266-K269 PolarHBondContact O-N 3.04Å; K269-D272 WeakPolarHBondContact CA-OD2 3.37Å; K269-W273 WeakPolarHBondContact O-CB 3.15Å; K269-W273 PolarHBondContact O-N 3.13Å; K269-W273 VanDerWaalsContact O-N 3.11Å
270	L	82.4	Confident	76	Confident	1 Å²	1	40.5 Å²	40.5	1%	0.005	20%	0.198	C	C	.	.	H	α-helix	trans	-63.9	-49.1	170.2	174.4	62.6	0	0	0	110.5	V183 I184 L187 F221 F266 H268 L274	V183-L270 HydrophobicContact CG1-CD2 3.68Å; I184-L270 HydrophobicContact CD1-CD2 3.96Å; L187-L270 HydrophobicContact CD1-CD2 3.55Å; F221-L270 HydrophobicContact CE1-CD1 3.45Å; F221-L270 VanDerWaalsContact CE1-CD1 3.45Å; F221-L270 HydrophobicContact CZ-CD1 3.59Å; F266-L270 HydrophobicContact CD2-CB 4.28Å; F266-L270 HydrophobicContact CE1-CD2 4.1Å; F266-L270 HydrophobicContact CE2-CB 3.83Å; F266-L270 HydrophobicContact CE2-CD1 4.35Å; F266-L270 HydrophobicContact CE2-CD2 4.3Å; F266-L270 HydrophobicContact CE2-CG 4.38Å; F266-L270 HydrophobicContact CZ-CB 4.11Å; F266-L270 HydrophobicContact CZ-CD1 4.31Å; F266-L270 HydrophobicContact CZ-CD2 3.72Å; F266-L270 HydrophobicContact CZ-CG 4.26Å; F266-L270 WeakPolarHBondContact O-CB 3.27Å; F266-L270 PolarHBondContact O-N 3.47Å; H268-L270 VanDerWaalsContact C-N 3.28Å; H268-L270 PolarHBondContact O-N 2.85Å; L270-L274 HydrophobicContact CD1-CD1 3.95Å; L270-L274 HydrophobicContact CD1-CG 4.47Å; L270-L274 HydrophobicContact CG-CD1 3.96Å; L270-L274 WeakPolarHBondContact O-CD1 3.18Å; L270-L274 WeakPolarHBondContact O-CG 3.4Å; L270-L274 PolarHBondContact O-N 3.11Å; L270-L274 VanDerWaalsContact O-N 3.12Å
271	L	81.5	Confident	77.5	Confident	20 Å²	20	38.8 Å²	38.8	11%	0.105	19%	0.189	C	C	.	.	H	α-helix	trans	-66.4	-42.4	178.6	-69.9	171.7	0	0	0	111.3	T267 H268 W273 L274 E275 F299	T267-L271 VanDerWaalsContact O-CG 3.31Å; T267-L271 WeakPolarHBondContact O-CG 2.96Å; T267-L271 PolarHBondContact O-N 3.47Å; T267-L271 VanDerWaalsContact O-N 3.1Å; H268-L271 CarbonylContact O-C 3.5Å; H268-L271 WeakPolarHBondContact O-CA 3.47Å; H268-L271 PolarHBondContact O-N 3.08Å; L271-W273 PolarHBondContact O-N 3.46Å; L271-L274 CarbonylContact O-C 3.59Å; L271-L274 PolarHBondContact O-N 2.86Å; L271-L274 VanDerWaalsContact O-N 3.15Å; L271-E275 WeakPolarHBondContact O-CB 3.44Å; L271-E275 PolarHBondContact O-N 3.02Å; L271-F299 HydrophobicContact CD2-CD2 3.86Å; L271-F299 HydrophobicContact CD2-CE2 3.94Å; L271-F299 HydrophobicContact CD2-CG 4.23Å; L271-F299 HydrophobicContact CD2-CZ 4.38Å
272	D	85	Confident	78.7	Confident	55 Å²	55	37 Å²	37	29%	0.294	18%	0.183	S	C	.	.	H	α-helix	trans	-54.7	-50.3	174.2	-58.3	-34.8	0	0	0	111.6	H268 K269 L274 E275 D276	H268-D272 IonicContact CE1-OD1 2.69Å; H268-D272 PolarHBondContact CE1-OD1 3.47Å; H268-D272 IonicContact CE1-OD2 2.96Å; H268-D272 IonicContact CG-OD2 3.6Å; H268-D272 VanDerWaalsContact ND1-CG 3.26Å; H268-D272 IonicContact ND1-OD1 3.52Å; H268-D272 PolarHBondContact ND1-OD1 3.09Å; H268-D272 IonicContact ND1-OD2 3.7Å; H268-D272 PolarHBondContact ND1-OD2 3.03Å; H268-D272 PolarHBondContact O-N 3.35Å; K269-D272 WeakPolarHBondContact CA-OD2 3.37Å; D272-L274 VanDerWaalsContact C-N 3.26Å; D272-L274 PolarHBondContact O-N 3.1Å; D272-E275 PolarHBondContact O-N 3.45Å; D272-D276 PolarHBondContact O-N 2.9Å
273	W	86.6	Confident	79.5	Confident	29 Å²	29	39 Å²	39	11%	0.11	19%	0.19	C	C	.	.	H	α-helix	trans	-66.7	-27.6	-179.6	-78.7	11.2	0	0	0	113.5	R217 N218 F221 L249 A252 K269 L271 A277	R217-W273 HydrophobicContact CB-CH2 3.77Å; R217-W273 HydrophobicContact CB-CZ2 4Å; R217-W273 HydrophobicContact CB-CZ3 4.41Å; N218-W273 HydrophobicContact CB-CB 4.11Å; N218-W273 HydrophobicContact CB-CG 4.17Å; F221-W273 HydrophobicContact CB-CE3 3.89Å; F221-W273 HydrophobicContact CB-CZ3 3.79Å; F221-W273 AromaticContact CD1-CE3 3.9Å; F221-W273 HydrophobicContact CD1-CE3 3.9Å; F221-W273 HydrophobicContact CD1-CZ3 4.42Å; F221-W273 HydrophobicContact CD2-CE3 4.44Å; F221-W273 HydrophobicContact CD2-CZ3 4.19Å; F221-W273 AromaticContact CG-CE3 3.81Å; F221-W273 HydrophobicContact CG-CE3 3.81Å; F221-W273 AromaticContact CG-CZ3 3.87Å; F221-W273 HydrophobicContact CG-CZ3 3.87Å; L249-W273 HydrophobicContact CD1-CZ3 4.27Å; A252-W273 HydrophobicContact CB-CH2 3.42Å; A252-W273 VanDerWaalsContact CB-CH2 3.42Å; A252-W273 HydrophobicContact CB-CZ2 3.61Å; K269-W273 WeakPolarHBondContact O-CB 3.15Å; K269-W273 PolarHBondContact O-N 3.13Å; K269-W273 VanDerWaalsContact O-N 3.11Å; L271-W273 PolarHBondContact O-N 3.46Å; W273-A277 VanDerWaalsContact O-CB 3.24Å; W273-A277 WeakPolarHBondContact O-CB 3.49Å; W273-A277 PolarHBondContact O-N 3.21Å
274	L	83.9	Confident	79.6	Confident	1 Å²	1	43.2 Å²	43.2	1%	0.005	21%	0.21	C	C	.	.	H	α-helix	trans	-76.3	-45.5	172.7	-69.7	163.9	0	0	0	110.2	F193 M222 L225 L270 L271 D272 D276 A277 F278 M295	F193-L274 HydrophobicContact CE2-CD1 3.89Å; F193-L274 HydrophobicContact CZ-CD1 3.64Å; M222-L274 HydrophobicContact CE-CD2 4.32Å; M222-L274 HydrophobicContact SD-CD2 3.47Å; M222-L274 WeakPolarHBondContact SD-CD2 3.36Å; L225-L274 HydrophobicContact CD2-CD2 4Å; L270-L274 HydrophobicContact CD1-CD1 3.95Å; L270-L274 HydrophobicContact CD1-CG 4.47Å; L270-L274 HydrophobicContact CG-CD1 3.96Å; L270-L274 WeakPolarHBondContact O-CD1 3.18Å; L270-L274 WeakPolarHBondContact O-CG 3.4Å; L270-L274 PolarHBondContact O-N 3.11Å; L270-L274 VanDerWaalsContact O-N 3.12Å; L271-L274 CarbonylContact O-C 3.59Å; L271-L274 PolarHBondContact O-N 2.86Å; L271-L274 VanDerWaalsContact O-N 3.15Å; D272-L274 VanDerWaalsContact C-N 3.26Å; D272-L274 PolarHBondContact O-N 3.1Å; L274-D276 PolarHBondContact O-N 3.28Å; L274-A277 PolarHBondContact O-N 3.02Å; L274-F278 HydrophobicContact CD2-CE2 4.44Å; L274-F278 VanDerWaalsContact O-CD2 3.29Å; L274-F278 WeakPolarHBondContact O-CD2 3.36Å; L274-F278 PolarHBondContact O-N 2.91Å; L274-M295 HydrophobicContact CB-CG 4.38Å
275	E	85.8	Confident	79.6	Confident	55 Å²	55	48.5 Å²	48.5	26%	0.257	23%	0.232	S	C	.	.	H	α-helix	trans	-53.6	-54.2	174.2	-175.6	173.6	163.8	0	0	110.5	L271 D272 A277 F278 Q279 N293 V296	L271-E275 WeakPolarHBondContact O-CB 3.44Å; L271-E275 PolarHBondContact O-N 3.02Å; D272-E275 PolarHBondContact O-N 3.45Å; E275-A277 PolarHBondContact O-N 2.79Å; E275-F278 PolarHBondContact O-N 2.8Å; E275-Q279 WeakPolarHBondContact O-CB 3.48Å; E275-Q279 PolarHBondContact O-N 3.2Å; E275-N293 PolarHBondContact O-ND2 2.93Å; E275-V296 HydrophobicContact CG-CG2 3.7Å; E275-V296 WeakPolarHBondContact OE1-CG2 3.48Å
276	D	85	Confident	79	Confident	65 Å²	65	46.3 Å²	46.3	35%	0.348	23%	0.225	S	C	.	.	H	α-helix	trans	-52	-50.7	174.8	-77.8	-25.9	0	0	0	112.1	N218 D272 L274 F278 Q279 M280	N218-D276 WeakPolarHBondContact ND2-CB 3.36Å; D272-D276 PolarHBondContact O-N 2.9Å; L274-D276 PolarHBondContact O-N 3.28Å; D276-F278 PolarHBondContact O-N 3.33Å; D276-Q279 PolarHBondContact O-N 3.18Å; D276-M280 VanDerWaalsContact O-CG 3.32Å; D276-M280 WeakPolarHBondContact O-CG 3.44Å; D276-M280 PolarHBondContact O-N 3.42Å
277	A	84	Confident	78	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-67.1	-35.2	-174.1	0	0	0	0	0	112.6	Y200 L219 M222 W273 L274 E275	Y200-A277 HydrophobicContact CE2-CB 4.49Å; Y200-A277 WeakPolarHBondContact CE2-O 3.44Å; Y200-A277 PolarHBondContact OH-O 3.44Å; L219-A277 HydrophobicContact CD2-CB 4.46Å; M222-A277 HydrophobicContact CB-CB 4.49Å; M222-A277 HydrophobicContact CG-CB 4.41Å; W273-A277 VanDerWaalsContact O-CB 3.24Å; W273-A277 WeakPolarHBondContact O-CB 3.49Å; W273-A277 PolarHBondContact O-N 3.21Å; L274-A277 PolarHBondContact O-N 3.02Å; E275-A277 PolarHBondContact O-N 2.79Å
278	F	84.7	Confident	77.1	Confident	10 Å²	10	63 Å²	63	4%	0.044	31%	0.307	C	S	.	.	H	α-helix	trans	-80.3	-29	173.8	-80.2	-88.7	0	0	0	112.8	L196 Y200 M222 L274 E275 D276 K281 A282 P294 M295	L196-F278 HydrophobicContact CB-CE1 4.03Å; L196-F278 HydrophobicContact CB-CZ 3.96Å; L196-F278 VanDerWaalsContact O-CZ 3.32Å; L196-F278 WeakPolarHBondContact O-CZ 3.45Å; Y200-F278 HydrophobicContact CD2-CD1 4.05Å; Y200-F278 HydrophobicContact CD2-CD2 4.4Å; Y200-F278 AromaticContact CD2-CE1 3.68Å; Y200-F278 HydrophobicContact CD2-CE1 3.68Å; Y200-F278 HydrophobicContact CD2-CE2 4.06Å; Y200-F278 HydrophobicContact CD2-CG 4.4Å; Y200-F278 AromaticContact CD2-CZ 3.68Å; Y200-F278 HydrophobicContact CD2-CZ 3.68Å; Y200-F278 HydrophobicContact CE2-CD1 4.45Å; Y200-F278 HydrophobicContact CE2-CG 4.49Å; Y200-F278 HydrophobicContact CG-CZ 4.2Å; M222-F278 HydrophobicContact CE-CE2 3.38Å; M222-F278 HydrophobicContact CE-CZ 3.59Å; M222-F278 HydrophobicContact SD-CE2 4.41Å; L274-F278 HydrophobicContact CD2-CE2 4.44Å; L274-F278 VanDerWaalsContact O-CD2 3.29Å; L274-F278 WeakPolarHBondContact O-CD2 3.36Å; L274-F278 PolarHBondContact O-N 2.91Å; E275-F278 PolarHBondContact O-N 2.8Å; D276-F278 PolarHBondContact O-N 3.33Å; F278-K281 PolarHBondContact O-N 2.81Å; F278-A282 PolarHBondContact O-N 3.17Å; F278-P294 HydrophobicContact CB-CG 4.44Å; F278-P294 HydrophobicContact CD1-CG 3.83Å; F278-P294 HydrophobicContact CG-CG 4.37Å; F278-M295 HydrophobicContact CB-CG 4.32Å; F278-M295 HydrophobicContact CD2-CE 3.72Å; F278-M295 HydrophobicContact CD2-CG 3.72Å; F278-M295 HydrophobicContact CE1-CE 4.44Å; F278-M295 HydrophobicContact CE2-CE 3.25Å; F278-M295 HydrophobicContact CE2-CG 4.27Å; F278-M295 HydrophobicContact CG-CE 4.5Å; F278-M295 HydrophobicContact CG-CG 4.06Å; F278-M295 HydrophobicContact CZ-CE 3.67Å
279	Q	84.6	Confident	76.1	Confident	50 Å²	50	65.9 Å²	65.9	23%	0.234	32%	0.321	C	S	.	.	H	α-helix	trans	-62.6	-50.2	173.7	-173.1	61.2	25.2	0	0	110.5	E275 D276 K281 A282 E283 N293	E275-Q279 WeakPolarHBondContact O-CB 3.48Å; E275-Q279 PolarHBondContact O-N 3.2Å; D276-Q279 PolarHBondContact O-N 3.18Å; Q279-K281 PolarHBondContact O-N 2.88Å; Q279-K281 VanDerWaalsContact O-N 3.17Å; Q279-A282 PolarHBondContact O-N 3.08Å; Q279-A282 VanDerWaalsContact O-N 3.09Å; Q279-E283 WeakPolarHBondContact CG-OE1 3.45Å; Q279-E283 PolarHBondContact NE2-OE1 3.44Å; Q279-E283 WeakPolarHBondContact O-CG 3.07Å; Q279-E283 PolarHBondContact O-N 3.14Å; Q279-N293 WeakPolarHBondContact CB-ND2 3.5Å; Q279-N293 PolarHBondContact N-ND2 3.38Å; Q279-N293 PolarHBondContact OE1-ND2 3.49Å
280	M	77.9	Confident	75.2	Confident	68 Å²	68	72.7 Å²	72.7	34%	0.335	35%	0.351	S	S	.	.	H	α-helix	trans	-56.4	-32.4	175.4	-68	175	-171.4	0	0	112.7	P203 D276 E284	P203-M280 HydrophobicContact CG-CB 4.38Å; D276-M280 VanDerWaalsContact O-CG 3.32Å; D276-M280 WeakPolarHBondContact O-CG 3.44Å; D276-M280 PolarHBondContact O-N 3.42Å; M280-E284 PolarHBondContact O-N 2.91Å
281	K	76.5	Confident	74.4	Confident	51 Å²	51	75.3 Å²	75.3	22%	0.222	37%	0.368	C	S	.	.	H	α-helix	trans	-75.4	-44.2	175.5	-177.3	-178.7	177.4	-69.3	0	112	Y200 F278 Q279 E283 E284 E285	Y200-K281 HydrophobicContact CD2-CD 4.13Å; Y200-K281 HydrophobicContact CE2-CB 4.13Å; Y200-K281 HydrophobicContact CE2-CD 4.17Å; F278-K281 PolarHBondContact O-N 2.81Å; Q279-K281 PolarHBondContact O-N 2.88Å; Q279-K281 VanDerWaalsContact O-N 3.17Å; K281-E283 PolarHBondContact O-N 3.15Å; K281-E284 PolarHBondContact O-N 3.47Å; K281-E285 WeakPolarHBondContact CE-OE1 3.37Å; K281-E285 IonicContact NZ-OE1 2.75Å; K281-E285 PolarHBondContact NZ-OE1 3.32Å; K281-E285 IonicContact NZ-OE2 2.68Å; K281-E285 PolarHBondContact NZ-OE2 2.89Å; K281-E285 PolarHBondContact O-N 3.35Å
282	A	77.1	Confident	74.2	Confident	11 Å²	11	81 Å²	81	9%	0.091	39%	0.392	C	S	.	.	H	α-helix	trans	-61	-35.5	177.7	0	0	0	0	0	111.5	F278 Q279 E285 T286 P291	F278-A282 PolarHBondContact O-N 3.17Å; Q279-A282 PolarHBondContact O-N 3.08Å; Q279-A282 VanDerWaalsContact O-N 3.09Å; A282-E285 PolarHBondContact O-N 2.84Å; A282-T286 WeakPolarHBondContact O-CB 3.41Å; A282-T286 PolarHBondContact O-N 3.41Å; A282-T286 PolarHBondContact O-OG1 3.08Å; A282-P291 HydrophobicContact CB-CB 4.17Å
283	E	76.6	Confident	74.3	Confident	113 Å²	113	78.8 Å²	78.8	53%	0.528	38%	0.38	S	S	.	.	H	α-helix	trans	-70.9	-30.4	177.3	-71	173.4	-176.5	0	0	113.6	Q279 K281 E285 P291	Q279-E283 WeakPolarHBondContact CG-OE1 3.45Å; Q279-E283 PolarHBondContact NE2-OE1 3.44Å; Q279-E283 WeakPolarHBondContact O-CG 3.07Å; Q279-E283 PolarHBondContact O-N 3.14Å; K281-E283 PolarHBondContact O-N 3.15Å; E283-E285 VanDerWaalsContact C-N 3.31Å; E283-P291 HydrophobicContact CG-CB 4.1Å; E283-P291 HydrophobicContact CG-CG 4.32Å
284	E	68.3	Low	74.4	Confident	88 Å²	88	79.2 Å²	79.2	41%	0.411	39%	0.386	S	S	.	.	H	α-helix	trans	-72.7	-20.1	169.8	-76.5	-160.7	157.8	0	0	113.2	P203 S204 N205 M280 K281	P203-E284 WeakPolarHBondContact CA-OE2 3.34Å; P203-E284 HydrophobicContact CB-CG 4.11Å; P203-E284 WeakPolarHBondContact CB-OE1 3.24Å; P203-E284 WeakPolarHBondContact CB-OE2 3.45Å; S204-E284 PolarHBondContact N-OE2 3.24Å; N205-E284 PolarHBondContact ND2-OE1 3.04Å; M280-E284 PolarHBondContact O-N 2.91Å; K281-E284 PolarHBondContact O-N 3.47Å
285	E	67.2	Low	74.6	Confident	133 Å²	133	79.3 Å²	79.3	62%	0.621	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.7	1.1	-176.4	-70.1	176.3	155.6	0	0	114	K281 A282 E283	K281-E285 WeakPolarHBondContact CE-OE1 3.37Å; K281-E285 IonicContact NZ-OE1 2.75Å; K281-E285 PolarHBondContact NZ-OE1 3.32Å; K281-E285 IonicContact NZ-OE2 2.68Å; K281-E285 PolarHBondContact NZ-OE2 2.89Å; K281-E285 PolarHBondContact O-N 3.35Å; A282-E285 PolarHBondContact O-N 2.84Å; E283-E285 VanDerWaalsContact C-N 3.31Å
286	T	60.2	Low	74.8	Confident	48 Å²	48	78.1 Å²	78.1	29%	0.294	38%	0.384	S	S	.	.			trans	-111.7	91	-170.3	-57.8	0	0	0	0	113.5	A282 E289	A282-T286 WeakPolarHBondContact O-CB 3.41Å; A282-T286 PolarHBondContact O-N 3.41Å; A282-T286 PolarHBondContact O-OG1 3.08Å; T286-E289 WeakPolarHBondContact CG2-O 3.28Å
287	D	55.5	Low	75.1	Confident	173 Å²	173	79.5 Å²	79.5	93%	0.925	39%	0.388	S	S	*	.	S	Bend	trans	-83.7	-32.2	171.2	-86.9	-41.4	0	0	0	113.9
288	E	56.5	Low	75.5	Confident	191 Å²	191	79.8 Å²	79.8	89%	0.893	39%	0.389	S	S	*	.	S	Bend	trans	-135.9	-13.8	-171.7	-66.3	-165	157.8	0	0	117.3
289	E	56.7	Low	75.8	Confident	178 Å²	178	79.5 Å²	79.5	83%	0.832	39%	0.388	S	S	*	.	S	Bend	trans	-101.4	-166	178.4	-68.2	-153.7	135.2	0	0	112.8	T286	T286-E289 WeakPolarHBondContact CG2-O 3.28Å
290	K	62.8	Low	76.3	Confident	186 Å²	186	79 Å²	79	81%	0.809	38%	0.384	S	S	*	.			trans	-94.4	135.9	166.6	-72	-174.4	175.3	-175	0	109.1	K292	K290-K292 PolarHBondContact O-N 3.03Å
291	P	65.1	Low	77	Confident	57 Å²	57	75.8 Å²	75.8	37%	0.37	37%	0.369	S	S	.	.			trans	-60.2	129.8	175.7	26.2	-33.8	0	0	0	109.3	A282 E283	A282-P291 HydrophobicContact CB-CB 4.17Å; E283-P291 HydrophobicContact CG-CB 4.1Å; E283-P291 HydrophobicContact CG-CG 4.32Å
292	K	78	Confident	77.9	Confident	138 Å²	138	78.6 Å²	78.6	60%	0.6	38%	0.378	S	S	*	.			trans	-126.4	108.1	-170.8	-168.1	173	173.7	-91.3	0	108.5	K290 E297	K290-K292 PolarHBondContact O-N 3.03Å; K292-E297 WeakPolarHBondContact CE-OE1 3.27Å; K292-E297 WeakPolarHBondContact CE-OE2 3.3Å; K292-E297 WeakPolarHBondContact CG-OE1 3.44Å; K292-E297 IonicContact NZ-OE1 2.69Å; K292-E297 PolarHBondContact NZ-OE1 3.46Å; K292-E297 IonicContact NZ-OE2 3.73Å; K292-E297 PolarHBondContact NZ-OE2 3.45Å
293	N	86.8	Confident	78.8	Confident	9 Å²	9	78.9 Å²	78.9	5%	0.048	38%	0.377	C	S	.	.			trans	-86.4	118.1	-168.1	-168.6	-36.3	0	0	0	111.4	E275 Q279 M295 V296 E297	E275-N293 PolarHBondContact O-ND2 2.93Å; Q279-N293 WeakPolarHBondContact CB-ND2 3.5Å; Q279-N293 PolarHBondContact N-ND2 3.38Å; Q279-N293 PolarHBondContact OE1-ND2 3.49Å; N293-M295 PolarHBondContact O-N 2.88Å; N293-M295 PolarHBondContact OD1-N 3.08Å; N293-V296 HydrophobicContact CB-CB 4.14Å; N293-V296 HydrophobicContact CB-CG2 3.77Å; N293-V296 PolarHBondContact O-N 3.23Å; N293-E297 PolarHBondContact O-N 2.88Å; N293-E297 VanDerWaalsContact O-N 3.12Å
294	P	88.5	Confident	79.7	Confident	38 Å²	38	74 Å²	74	25%	0.247	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-18.7	-175.6	29.4	-36.7	0	0	0	113.6	L196 F278 L298	L196-P294 HydrophobicContact CD1-CB 4.02Å; L196-P294 HydrophobicContact CD2-CB 3.83Å; L196-P294 HydrophobicContact CD2-CG 4.04Å; F278-P294 HydrophobicContact CB-CG 4.44Å; F278-P294 HydrophobicContact CD1-CG 3.83Å; F278-P294 HydrophobicContact CG-CG 4.37Å; P294-L298 VanDerWaalsContact O-CB 3.31Å; P294-L298 WeakPolarHBondContact O-CB 3.44Å; P294-L298 PolarHBondContact O-N 3.45Å
295	M	88.9	Confident	80.9	Confident	3 Å²	3	69.8 Å²	69.8	2%	0.015	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-41.3	174	-68.2	-60.1	179.9	0	0	111.7	F193 L196 V197 L274 F278 N293 E297 L298 F299	F193-M295 HydrophobicContact CD2-CE 3.67Å; F193-M295 HydrophobicContact CD2-SD 3.65Å; F193-M295 HydrophobicContact CE2-CE 3.49Å; F193-M295 VanDerWaalsContact CE2-CE 3.49Å; F193-M295 HydrophobicContact CE2-SD 3.59Å; F193-M295 VanDerWaalsContact CE2-SD 3.59Å; F193-M295 HydrophobicContact CZ-CE 4.33Å; L196-M295 HydrophobicContact CB-CE 3.91Å; L196-M295 HydrophobicContact CD1-CE 4.15Å; L196-M295 HydrophobicContact CD1-SD 4.25Å; V197-M295 HydrophobicContact CG2-CE 4.31Å; L274-M295 HydrophobicContact CB-CG 4.38Å; F278-M295 HydrophobicContact CB-CG 4.32Å; F278-M295 HydrophobicContact CD2-CE 3.72Å; F278-M295 HydrophobicContact CD2-CG 3.72Å; F278-M295 HydrophobicContact CE1-CE 4.44Å; F278-M295 HydrophobicContact CE2-CE 3.25Å; F278-M295 HydrophobicContact CE2-CG 4.27Å; F278-M295 HydrophobicContact CG-CE 4.5Å; F278-M295 HydrophobicContact CG-CG 4.06Å; F278-M295 HydrophobicContact CZ-CE 3.67Å; N293-M295 PolarHBondContact O-N 2.88Å; N293-M295 PolarHBondContact OD1-N 3.08Å; M295-E297 VanDerWaalsContact C-N 3.35Å; M295-E297 PolarHBondContact O-N 3.33Å; M295-L298 PolarHBondContact O-N 3.11Å; M295-L298 VanDerWaalsContact O-N 3.12Å; M295-F299 PolarHBondContact O-N 2.7Å; M295-F299 VanDerWaalsContact O-N 3.15Å; M295-F299 HydrophobicContact SD-CE2 4.1Å
296	V	90.1	Very high	82	Confident	31 Å²	31	64.4 Å²	64.4	19%	0.188	31%	0.311	C	S	.	.	H	α-helix	trans	-60.8	-46.3	174.4	-178	0	0	0	0	110	E275 N293 L298 Y300 M319	E275-V296 HydrophobicContact CG-CG2 3.7Å; E275-V296 WeakPolarHBondContact OE1-CG2 3.48Å; N293-V296 HydrophobicContact CB-CB 4.14Å; N293-V296 HydrophobicContact CB-CG2 3.77Å; N293-V296 PolarHBondContact O-N 3.23Å; V296-L298 PolarHBondContact O-N 2.65Å; V296-L298 VanDerWaalsContact O-N 3.17Å; V296-Y300 HydrophobicContact CG1-CG 4.38Å; V296-Y300 WeakPolarHBondContact O-CA 3.47Å; V296-Y300 WeakPolarHBondContact O-CB 3.45Å; V296-Y300 PolarHBondContact O-N 2.64Å; V296-M319 HydrophobicContact CG1-SD 4.44Å
297	E	90.6	Very high	83.3	Confident	93 Å²	93	62.5 Å²	62.5	44%	0.435	30%	0.301	S	S	.	.	H	α-helix	trans	-59.6	-25.6	175.5	-73.3	-167.8	-109.5	0	0	115	K292 N293 M295 P368	K292-E297 WeakPolarHBondContact CE-OE1 3.27Å; K292-E297 WeakPolarHBondContact CE-OE2 3.3Å; K292-E297 WeakPolarHBondContact CG-OE1 3.44Å; K292-E297 IonicContact NZ-OE1 2.69Å; K292-E297 PolarHBondContact NZ-OE1 3.46Å; K292-E297 IonicContact NZ-OE2 3.73Å; K292-E297 PolarHBondContact NZ-OE2 3.45Å; N293-E297 PolarHBondContact O-N 2.88Å; N293-E297 VanDerWaalsContact O-N 3.12Å; M295-E297 VanDerWaalsContact C-N 3.35Å; M295-E297 PolarHBondContact O-N 3.33Å; E297-P368 WeakPolarHBondContact O-CD 3.23Å; E297-P368 WeakPolarHBondContact O-CG 3.39Å
298	L	92.1	Very high	84.7	Confident	7 Å²	7	56.4 Å²	56.4	4%	0.037	27%	0.27	C	S	.	.	H	α-helix	trans	-90.1	-38.3	-172.1	-173	61.2	0	0	0	112.5	L190 F193 L196 P294 M295 V296 P368 V369 L662	L190-L298 HydrophobicContact CD2-CD2 4.13Å; L190-L298 HydrophobicContact CD2-CG 4.46Å; F193-L298 HydrophobicContact CB-CD2 4.02Å; F193-L298 HydrophobicContact CD2-CD2 4.23Å; L196-L298 HydrophobicContact CD1-CD2 4.2Å; P294-L298 VanDerWaalsContact O-CB 3.31Å; P294-L298 WeakPolarHBondContact O-CB 3.44Å; P294-L298 PolarHBondContact O-N 3.45Å; M295-L298 PolarHBondContact O-N 3.11Å; M295-L298 VanDerWaalsContact O-N 3.12Å; V296-L298 PolarHBondContact O-N 2.65Å; V296-L298 VanDerWaalsContact O-N 3.17Å; L298-P368 HydrophobicContact CD1-CB 4.42Å; L298-P368 WeakPolarHBondContact O-CD 3.47Å; L298-V369 HydrophobicContact CD1-CG2 3.72Å; L298-V369 HydrophobicContact CG-CG2 4.04Å; L298-V369 WeakPolarHBondContact O-CB 3.41Å; L298-V369 PolarHBondContact O-N 3.34Å; L298-L662 HydrophobicContact CD1-CD2 3.46Å; L298-L662 VanDerWaalsContact CD1-CD2 3.46Å
299	F	92.8	Very high	85.8	Confident	3 Å²	3	51.9 Å²	51.9	1%	0.013	25%	0.252	C	S	.	.	H	α-helix	trans	-115.6	-17.3	-172.9	-62.2	-75.1	0	0	0	115.2	L187 L190 F193 L271 M295 P367 V369 M653	L187-F299 HydrophobicContact CD2-CE1 3.86Å; L187-F299 HydrophobicContact CD2-CZ 3.69Å; L190-F299 HydrophobicContact CD2-CE1 4.28Å; L190-F299 HydrophobicContact CD2-CZ 4.12Å; F193-F299 AromaticContact CD2-CE2 3.61Å; F193-F299 HydrophobicContact CD2-CE2 3.61Å; F193-F299 AromaticContact CD2-CZ 3.69Å; F193-F299 HydrophobicContact CD2-CZ 3.69Å; F193-F299 AromaticContact CE2-CE2 3.87Å; F193-F299 HydrophobicContact CE2-CE2 3.87Å; F193-F299 HydrophobicContact CE2-CZ 4.1Å; F193-F299 HydrophobicContact CG-CZ 4.39Å; L271-F299 HydrophobicContact CD2-CD2 3.86Å; L271-F299 HydrophobicContact CD2-CE2 3.94Å; L271-F299 HydrophobicContact CD2-CG 4.23Å; L271-F299 HydrophobicContact CD2-CZ 4.38Å; M295-F299 PolarHBondContact O-N 2.7Å; M295-F299 VanDerWaalsContact O-N 3.15Å; M295-F299 HydrophobicContact SD-CE2 4.1Å; F299-P367 WeakPolarHBondContact O-CB 3.44Å; F299-V369 HydrophobicContact CD1-CB 4Å; F299-V369 HydrophobicContact CD1-CG1 3.99Å; F299-V369 HydrophobicContact CE1-CB 4.13Å; F299-V369 HydrophobicContact CE1-CG1 3.86Å; F299-M653 HydrophobicContact CE1-CE 4.38Å
300	Y	93.4	Very high	86.9	Confident	40 Å²	40	51.7 Å²	51.7	16%	0.157	25%	0.251	C	S	.	.			trans	-109.3	136.6	-173.7	-62.9	-112.9	0	0	0	111.9	V296 M319 F320	V296-Y300 HydrophobicContact CG1-CG 4.38Å; V296-Y300 WeakPolarHBondContact O-CA 3.47Å; V296-Y300 WeakPolarHBondContact O-CB 3.45Å; V296-Y300 PolarHBondContact O-N 2.64Å; Y300-M319 HydrophobicContact CD1-CG 4.28Å; Y300-M319 HydrophobicContact CD1-SD 4.01Å; Y300-M319 HydrophobicContact CG-SD 4.47Å; Y300-F320 CarbonylContact C-O 3.59Å; Y300-F320 VanDerWaalsContact CA-O 3.23Å; Y300-F320 WeakPolarHBondContact CA-O 3.4Å
301	G	93.9	Very high	87.5	Confident	1 Å²	1	45.5 Å²	45.5	1%	0.01	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	-168.9	173.7	0	0	0	0	0	111.9	M319 F320 E365	G301-M319 WeakPolarHBondContact O-CA 2.99Å; G301-M319 WeakPolarHBondContact O-CG 3.05Å; G301-F320 VanDerWaalsContact C-CD1 3.45Å; G301-F320 VanDerWaalsContact C-CE1 3.42Å; G301-F320 PolarHBondContact N-O 3.04Å; G301-F320 WeakPolarHBondContact O-CD1 3.37Å; G301-F320 PolarHBondContact O-N 2.86Å; G301-E365 CarbonylContact C-O 3.51Å; G301-E365 WeakPolarHBondContact CA-O 3.18Å
302	R	95.3	Very high	88.4	Confident	110 Å²	110	49.6 Å²	49.6	42%	0.415	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	139.2	176.6	-66.5	-178.7	-73.2	158.8	-3.9	111.9	T317 E318 T364 E365	R302-T317 HydrophobicContact CB-CG2 4.17Å; R302-E318 CarbonylContact C-O 3.59Å; R302-E318 VanDerWaalsContact CA-O 3.26Å; R302-E318 WeakPolarHBondContact CA-O 3.21Å; R302-T364 PolarHBondContact O-N 2.94Å; R302-T364 PolarHBondContact O-OG1 3.1Å; R302-E365 HydrophobicContact CB-CB 4.24Å; R302-E365 IonicContact CZ-OE2 2.69Å; R302-E365 PolarHBondContact N-O 3.46Å; R302-E365 IonicContact NE-OE2 2.62Å; R302-E365 PolarHBondContact NE-OE2 2.9Å; R302-E365 IonicContact NH2-OE1 3.24Å; R302-E365 IonicContact NH2-OE2 3.92Å; R302-E365 PolarHBondContact NH2-OE2 3.05Å; R302-E365 PolarHBondContact O-N 3.02Å; R302-E365 VanDerWaalsContact O-O 3.08Å
303	F	96	Very high	88.9	Confident	17 Å²	17	51.7 Å²	51.7	8%	0.075	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	161.1	171.9	74.5	-83.7	0	0	0	110.9	A305 T317 E318 F320 H361 W362 F363	F303-A305 HydrophobicContact CE2-CB 4.15Å; F303-T317 WeakPolarHBondContact O-CA 3.38Å; F303-E318 HydrophobicContact CD1-CB 4.31Å; F303-E318 HydrophobicContact CE1-CB 3.7Å; F303-E318 HydrophobicContact CE2-CB 4.36Å; F303-E318 HydrophobicContact CZ-CB 3.72Å; F303-E318 PolarHBondContact N-O 3.35Å; F303-E318 PolarHBondContact O-N 2.83Å; F303-F320 HydrophobicContact CB-CD1 4.5Å; F303-F320 HydrophobicContact CD1-CB 4.13Å; F303-F320 AromaticContact CD1-CD1 3.86Å; F303-F320 HydrophobicContact CD1-CD1 3.86Å; F303-F320 HydrophobicContact CD1-CG 4.28Å; F303-F320 HydrophobicContact CE1-CB 4.22Å; F303-H361 HydrophobicContact CD2-CB 3.95Å; F303-H361 AromaticContact CD2-CG 3.82Å; F303-H361 HydrophobicContact CE2-CB 4.4Å; F303-H361 AromaticContact CE2-CD2 3.82Å; F303-H361 AromaticContact CE2-CG 3.76Å; F303-H361 AromaticContact CE2-ND1 3.81Å; F303-W362 CarbonylContact C-O 3.55Å; F303-W362 VanDerWaalsContact CA-O 3.28Å; F303-W362 WeakPolarHBondContact CA-O 3.47Å; F303-F363 HydrophobicContact CB-CD1 4.05Å
304	L	95.3	Very high	89	Confident	9 Å²	9	53.2 Å²	53.2	5%	0.047	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	111.1	179.3	-170.8	79.5	0	0	0	108.3	V306 E315 N316 T317 H361 W362 T364	L304-V306 HydrophobicContact CD2-CG2 3.54Å; L304-V306 HydrophobicContact CG-CG2 3.68Å; L304-E315 HydrophobicContact CD1-CG 3.76Å; L304-E315 HydrophobicContact CD2-CG 4.21Å; L304-E315 HydrophobicContact CG-CG 4.12Å; L304-N316 CarbonylContact C-O 3.59Å; L304-N316 WeakPolarHBondContact CA-O 3.2Å; L304-T317 WeakPolarHBondContact CD1-OG1 3.4Å; L304-H361 WeakPolarHBondContact O-CA 3.41Å; L304-W362 PolarHBondContact N-O 2.99Å; L304-W362 PolarHBondContact O-N 3.47Å; L304-T364 HydrophobicContact CB-CG2 3.77Å
305	A	92.8	Very high	89.2	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	114.6	170.4	0	0	0	0	0	109	F303 E315 N316	F303-A305 HydrophobicContact CE2-CB 4.15Å; A305-E315 CarbonylContact O-C 3.6Å; A305-E315 WeakPolarHBondContact O-CA 3.3Å; A305-N316 HydrophobicContact CB-CB 4.43Å; A305-N316 PolarHBondContact N-O 3.25Å; A305-N316 PolarHBondContact O-N 2.98Å
306	V	90.6	Very high	89.4	Confident	20 Å²	20	60.9 Å²	60.9	12%	0.121	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	129.9	179.5	-174.9	0	0	0	0	108.3	L304 E315 E360	L304-V306 HydrophobicContact CD2-CG2 3.54Å; L304-V306 HydrophobicContact CG-CG2 3.68Å; V306-E315 HydrophobicContact CG2-CG 4.15Å; V306-E360 HydrophobicContact CB-CG 4.2Å; V306-E360 PolarHBondContact N-O 2.83Å; V306-E360 WeakPolarHBondContact O-CG 3.34Å; V306-E360 PolarHBondContact O-N 2.73Å
307	G	87.1	Confident	89.6	Confident	8 Å²	8	63.3 Å²	63.3	8%	0.082	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.2	-175	-178.1	0	0	0	0	0	115.2	K313 F314 G358	G307-K313 VanDerWaalsContact O-CA 3.31Å; G307-K313 WeakPolarHBondContact O-CA 3.46Å; G307-F314 PolarHBondContact N-O 3.23Å; G307-F314 VanDerWaalsContact N-O 3.12Å; G307-F314 WeakPolarHBondContact O-CD1 3.36Å; G307-F314 PolarHBondContact O-N 2.77Å; G307-G358 CarbonylContact C-O 3.53Å; G307-G358 WeakPolarHBondContact CA-O 3.4Å
308	V	85.6	Confident	89.7	Confident	46 Å²	46	62.7 Å²	62.7	28%	0.279	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	120.1	173.6	-176.1	0	0	0	0	108.7	K312 K313 S357 G358	V308-K312 WeakPolarHBondContact CA-O 3.44Å; V308-K313 HydrophobicContact CG2-CG 4.25Å; V308-S357 WeakPolarHBondContact O-CA 3.36Å; V308-S357 VanDerWaalsContact O-CB 3.24Å; V308-S357 WeakPolarHBondContact O-CB 3.41Å; V308-G358 PolarHBondContact N-O 2.88Å; V308-G358 PolarHBondContact O-N 2.84Å; V308-G358 VanDerWaalsContact O-N 3.14Å
309	L	79.8	Confident	89.7	Confident	96 Å²	96	68.1 Å²	68.1	50%	0.503	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	123.9	172.1	-79.1	165	0	0	0	108.5	G311 K312 F314	L309-G311 PolarHBondContact O-N 2.86Å; L309-G311 VanDerWaalsContact O-N 3.12Å; L309-K312 PolarHBondContact N-O 2.91Å; L309-K312 WeakPolarHBondContact O-CB 3.37Å; L309-K312 PolarHBondContact O-N 2.88Å; L309-F314 HydrophobicContact CB-CD1 4.28Å; L309-F314 HydrophobicContact CB-CE1 4.25Å; L309-F314 HydrophobicContact CD1-CD1 3.89Å; L309-F314 HydrophobicContact CD1-CE1 3.56Å; L309-F314 HydrophobicContact CD1-CZ 4.02Å; L309-F314 HydrophobicContact CG-CD1 4.1Å; L309-F314 HydrophobicContact CG-CE1 3.62Å; L309-F314 HydrophobicContact CG-CZ 4.39Å
310	E	79.1	Confident	89.7	Confident	174 Å²	174	68.8 Å²	68.8	81%	0.813	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.6	35	-176.7	-54.5	-176.2	153.5	0	0	113.8	K312	E310-K312 VanDerWaalsContact C-N 3.25Å; E310-K312 PolarHBondContact O-N 2.96Å
311	G	76.3	Confident	89.5	Confident	55 Å²	55	67.4 Å²	67.4	57%	0.567	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.7	-3.5	-176.3	0	0	0	0	0	115.6	L309	L309-G311 PolarHBondContact O-N 2.86Å; L309-G311 VanDerWaalsContact O-N 3.12Å
312	K	83.6	Confident	89.3	Confident	143 Å²	143	69.2 Å²	69.2	62%	0.622	35%	0.35	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.9	133.5	173.1	-63	168.9	-171	150.1	0	110	V308 L309 E310	V308-K312 WeakPolarHBondContact CA-O 3.44Å; L309-K312 PolarHBondContact N-O 2.91Å; L309-K312 WeakPolarHBondContact O-CB 3.37Å; L309-K312 PolarHBondContact O-N 2.88Å; E310-K312 VanDerWaalsContact C-N 3.25Å; E310-K312 PolarHBondContact O-N 2.96Å
313	K	87.6	Confident	89.2	Confident	182 Å²	182	64.5 Å²	64.5	79%	0.791	33%	0.332	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.6	139.9	170.3	-65	-174.6	178.7	-173.5	0	110.3	G307 V308	G307-K313 VanDerWaalsContact O-CA 3.31Å; G307-K313 WeakPolarHBondContact O-CA 3.46Å; V308-K313 HydrophobicContact CG2-CG 4.25Å
314	F	89.3	Confident	88.9	Confident	42 Å²	42	67.7 Å²	67.7	18%	0.184	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	157.6	170.3	69.9	-81.8	0	0	0	110.3	G307 L309 Q359	G307-F314 PolarHBondContact N-O 3.23Å; G307-F314 VanDerWaalsContact N-O 3.12Å; G307-F314 WeakPolarHBondContact O-CD1 3.36Å; G307-F314 PolarHBondContact O-N 2.77Å; L309-F314 HydrophobicContact CB-CD1 4.28Å; L309-F314 HydrophobicContact CB-CE1 4.25Å; L309-F314 HydrophobicContact CD1-CD1 3.89Å; L309-F314 HydrophobicContact CD1-CE1 3.56Å; L309-F314 HydrophobicContact CD1-CZ 4.02Å; L309-F314 HydrophobicContact CG-CD1 4.1Å; L309-F314 HydrophobicContact CG-CE1 3.62Å; L309-F314 HydrophobicContact CG-CZ 4.39Å; F314-Q359 HydrophobicContact CE2-CG 4.47Å; F314-Q359 HydrophobicContact CZ-CB 4.15Å; F314-Q359 HydrophobicContact CZ-CG 3.99Å; F314-Q359 VanDerWaalsContact CZ-OE1 3.25Å
315	E	93.1	Very high	88.8	Confident	122 Å²	122	67.4 Å²	67.4	57%	0.57	35%	0.353	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-150.5	98.6	-177.3	-179.3	161.9	164.6	0	0	107.9	L304 A305 V306	L304-E315 HydrophobicContact CD1-CG 3.76Å; L304-E315 HydrophobicContact CD2-CG 4.21Å; L304-E315 HydrophobicContact CG-CG 4.12Å; A305-E315 CarbonylContact O-C 3.6Å; A305-E315 WeakPolarHBondContact O-CA 3.3Å; V306-E315 HydrophobicContact CG2-CG 4.15Å
316	N	93.1	Very high	88.7	Confident	80 Å²	80	72.9 Å²	72.9	43%	0.428	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	144.1	-179.9	-69.4	-2.8	0	0	0	109.8	L304 A305 E318	L304-N316 CarbonylContact C-O 3.59Å; L304-N316 WeakPolarHBondContact CA-O 3.2Å; A305-N316 HydrophobicContact CB-CB 4.43Å; A305-N316 PolarHBondContact N-O 3.25Å; A305-N316 PolarHBondContact O-N 2.98Å; N316-E318 HydrophobicContact CB-CG 4.48Å; N316-E318 PolarHBondContact ND2-OE1 3.21Å
317	T	94.3	Very high	88.7	Confident	82 Å²	82	72 Å²	72	50%	0.503	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	124.3	166.8	-56	0	0	0	0	109	R302 F303 L304	R302-T317 HydrophobicContact CB-CG2 4.17Å; F303-T317 WeakPolarHBondContact O-CA 3.38Å; L304-T317 WeakPolarHBondContact CD1-OG1 3.4Å
318	E	93.4	Very high	88.7	Confident	80 Å²	80	74.2 Å²	74.2	37%	0.374	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	148.8	-174.4	-71	171.1	-151.5	0	0	109.9	R302 F303 N316	R302-E318 CarbonylContact C-O 3.59Å; R302-E318 VanDerWaalsContact CA-O 3.26Å; R302-E318 WeakPolarHBondContact CA-O 3.21Å; F303-E318 HydrophobicContact CD1-CB 4.31Å; F303-E318 HydrophobicContact CE1-CB 3.7Å; F303-E318 HydrophobicContact CE2-CB 4.36Å; F303-E318 HydrophobicContact CZ-CB 3.72Å; F303-E318 PolarHBondContact N-O 3.35Å; F303-E318 PolarHBondContact O-N 2.83Å; N316-E318 HydrophobicContact CB-CG 4.48Å; N316-E318 PolarHBondContact ND2-OE1 3.21Å
319	M	92	Very high	88.6	Confident	121 Å²	121	75.1 Å²	75.1	60%	0.596	40%	0.402	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.8	143	177.8	-171.4	-172.7	-69	0	0	109.2	V296 Y300 G301	V296-M319 HydrophobicContact CG1-SD 4.44Å; Y300-M319 HydrophobicContact CD1-CG 4.28Å; Y300-M319 HydrophobicContact CD1-SD 4.01Å; Y300-M319 HydrophobicContact CG-SD 4.47Å; G301-M319 WeakPolarHBondContact O-CA 2.99Å; G301-M319 WeakPolarHBondContact O-CG 3.05Å
320	F	92.6	Very high	89.2	Confident	16 Å²	16	73.4 Å²	73.4	7%	0.07	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	145.3	175	76.4	-79.2	0	0	0	110	Y300 G301 F303 Y323 F363 L366 L370	Y300-F320 CarbonylContact C-O 3.59Å; Y300-F320 VanDerWaalsContact CA-O 3.23Å; Y300-F320 WeakPolarHBondContact CA-O 3.4Å; G301-F320 VanDerWaalsContact C-CD1 3.45Å; G301-F320 VanDerWaalsContact C-CE1 3.42Å; G301-F320 PolarHBondContact N-O 3.04Å; G301-F320 WeakPolarHBondContact O-CD1 3.37Å; G301-F320 PolarHBondContact O-N 2.86Å; F303-F320 HydrophobicContact CB-CD1 4.5Å; F303-F320 HydrophobicContact CD1-CB 4.13Å; F303-F320 AromaticContact CD1-CD1 3.86Å; F303-F320 HydrophobicContact CD1-CD1 3.86Å; F303-F320 HydrophobicContact CD1-CG 4.28Å; F303-F320 HydrophobicContact CE1-CB 4.22Å; F320-Y323 AromaticContact CD2-CD2 3.86Å; F320-Y323 HydrophobicContact CD2-CD2 3.86Å; F320-Y323 HydrophobicContact CE2-CD2 4.21Å; F320-Y323 HydrophobicContact CG-CD2 4.27Å; F320-F363 HydrophobicContact CD1-CE1 4.33Å; F320-F363 HydrophobicContact CD2-CE1 4.48Å; F320-F363 AromaticContact CE1-CD1 3.61Å; F320-F363 HydrophobicContact CE1-CD1 3.61Å; F320-F363 AromaticContact CE1-CE1 3.61Å; F320-F363 HydrophobicContact CE1-CE1 3.61Å; F320-F363 AromaticContact CE2-CE1 3.81Å; F320-F363 HydrophobicContact CE2-CE1 3.81Å; F320-F363 HydrophobicContact CE2-CZ 4.42Å; F320-F363 AromaticContact CZ-CD1 3.63Å; F320-F363 HydrophobicContact CZ-CD1 3.63Å; F320-F363 AromaticContact CZ-CE1 3.31Å; F320-F363 HydrophobicContact CZ-CE1 3.31Å; F320-F363 HydrophobicContact CZ-CZ 4.18Å; F320-L366 HydrophobicContact CZ-CD2 4.25Å; F320-L370 HydrophobicContact CE2-CD1 3.64Å; F320-L370 HydrophobicContact CZ-CD1 4.2Å
321	G	89.1	Confident	89.8	Confident	11 Å²	11	71.1 Å²	71.1	11%	0.113	38%	0.377	C	S	.	.	S	Bend	trans	-101.8	-94.5	167.5	0	0	0	0	0	109.4
322	Q	89.4	Confident	90.7	Very high	40 Å²	40	70.8 Å²	70.8	19%	0.187	36%	0.363	C	S	.	.	S	Bend	trans	-70.1	130.6	166.9	-174.8	163.1	-50.8	0	0	110.6	T371 E373	Q322-T371 WeakPolarHBondContact CA-OG1 3.27Å; Q322-E373 HydrophobicContact CG-CB 4.11Å; Q322-E373 VanDerWaalsContact NE2-CD 3.28Å; Q322-E373 PolarHBondContact NE2-OE2 2.79Å
323	Y	92.7	Very high	91.3	Very high	11 Å²	11	64 Å²	64	4%	0.043	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	115.2	178.1	-160.7	-72.8	0	0	0	109.9	F320 L325 A340 M341 H361 F363 T371 F372 E373	F320-Y323 AromaticContact CD2-CD2 3.86Å; F320-Y323 HydrophobicContact CD2-CD2 3.86Å; F320-Y323 HydrophobicContact CE2-CD2 4.21Å; F320-Y323 HydrophobicContact CG-CD2 4.27Å; Y323-L325 HydrophobicContact CD1-CD2 3.82Å; Y323-L325 HydrophobicContact CD1-CG 4.49Å; Y323-L325 HydrophobicContact CE1-CD2 3.99Å; Y323-A340 HydrophobicContact CE1-CB 4.27Å; Y323-A340 PolarHBondContact OH-O 3.12Å; Y323-M341 HydrophobicContact CE2-CE 4.38Å; Y323-H361 AromaticContact CZ-CE1 3.55Å; Y323-H361 PolarHBondContact OH-CE1 3.4Å; Y323-H361 PolarHBondContact OH-ND1 2.98Å; Y323-F363 AromaticContact CD2-CE1 3.75Å; Y323-F363 HydrophobicContact CD2-CE1 3.75Å; Y323-F363 AromaticContact CD2-CZ 3.86Å; Y323-F363 HydrophobicContact CD2-CZ 3.86Å; Y323-F363 AromaticContact CE2-CE1 3.82Å; Y323-F363 HydrophobicContact CE2-CE1 3.82Å; Y323-F363 HydrophobicContact CE2-CZ 4.02Å; Y323-T371 PolarHBondContact N-O 3.35Å; Y323-F372 WeakPolarHBondContact O-CA 3.36Å; Y323-E373 PolarHBondContact O-N 3.2Å
324	P	91.3	Very high	91.7	Very high	83 Å²	83	57 Å²	57	54%	0.539	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	139.8	-176.6	31.6	-34.5	0	0	0	112.6	E373	P324-E373 HydrophobicContact CB-CB 4.39Å
325	L	92.6	Very high	91.8	Very high	4 Å²	4	58 Å²	58	2%	0.021	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	135.4	179.4	-57.5	177.3	0	0	0	110.9	Y323 L333 L337 A340 F372 E373 L374 S375	Y323-L325 HydrophobicContact CD1-CD2 3.82Å; Y323-L325 HydrophobicContact CD1-CG 4.49Å; Y323-L325 HydrophobicContact CE1-CD2 3.99Å; L325-L333 HydrophobicContact CD1-CD1 3.5Å; L325-L337 HydrophobicContact CD2-CB 4.41Å; L325-L337 HydrophobicContact CD2-CG 4.34Å; L325-A340 HydrophobicContact CD2-CB 3.43Å; L325-A340 VanDerWaalsContact CD2-CB 3.43Å; L325-F372 HydrophobicContact CD1-CB 4.08Å; L325-F372 HydrophobicContact CD1-CD1 3.67Å; L325-F372 HydrophobicContact CD1-CE1 4.38Å; L325-F372 HydrophobicContact CD1-CG 4.08Å; L325-F372 HydrophobicContact CG-CD1 4.17Å; L325-E373 WeakPolarHBondContact CA-O 3.39Å; L325-E373 WeakPolarHBondContact CB-O 3.38Å; L325-E373 PolarHBondContact N-O 3.37Å; L325-L374 HydrophobicContact CB-CD2 4.45Å; L325-L374 HydrophobicContact CD1-CD2 4.26Å; L325-S375 PolarHBondContact O-N 3.34Å
326	Q	90.2	Very high	91.9	Very high	114 Å²	114	52.2 Å²	52.2	53%	0.533	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	128.5	170.9	-177.2	173.7	-6.1	0	0	109.6	F330 C336 E378	Q326-F330 VanDerWaalsContact O-CD2 3.28Å; Q326-F330 WeakPolarHBondContact O-CD2 3.47Å; Q326-F330 VanDerWaalsContact O-CE2 3.31Å; Q326-F330 WeakPolarHBondContact O-CE2 3.45Å; Q326-C336 PolarHBondContact O-SG 3.05Å; Q326-E378 PolarHBondContact NE2-OE1 2.91Å
327	V	90.3	Very high	92	Very high	1 Å²	1	48.4 Å²	48.4	1%	0.006	26%	0.261	C	S	.	.			trans	-86.1	-17	-169.6	175.7	0	0	0	0	113.9	L374 S375 R376 I389 L393	V327-L374 HydrophobicContact CG2-CB 3.78Å; V327-L374 HydrophobicContact CG2-CD2 4.29Å; V327-S375 WeakPolarHBondContact CB-O 3.48Å; V327-S375 WeakPolarHBondContact CG2-O 3.25Å; V327-S375 PolarHBondContact N-O 3.3Å; V327-R376 HydrophobicContact CB-CG 3.89Å; V327-R376 HydrophobicContact CG1-CG 4.08Å; V327-R376 HydrophobicContact CG2-CG 3.8Å; V327-I389 HydrophobicContact CB-CD1 4.3Å; V327-I389 HydrophobicContact CG1-CD1 4.48Å; V327-L393 HydrophobicContact CG1-CB 3.88Å; V327-L393 HydrophobicContact CG1-CD1 4.41Å; V327-L393 HydrophobicContact CG1-CD2 4.03Å; V327-L393 HydrophobicContact CG1-CG 4.33Å; V327-L393 HydrophobicContact CG2-CD2 4.1Å
328	N	87.1	Confident	91.9	Very high	56 Å²	56	46 Å²	46	30%	0.299	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69	146.3	-171.6	-166.9	21.6	0	0	0	113.6	F330 E378 I389 N391	N328-F330 WeakPolarHBondContact O-CD2 3.37Å; N328-F330 WeakPolarHBondContact O-CE2 3.4Å; N328-F330 PolarHBondContact O-N 3.45Å; N328-F330 VanDerWaalsContact O-N 3.15Å; N328-E378 WeakPolarHBondContact CB-OE1 3.46Å; N328-E378 PolarHBondContact ND2-OE1 3.29Å; N328-E378 PolarHBondContact ND2-OE2 3.25Å; N328-I389 HydrophobicContact CB-CD1 3.52Å; N328-N391 PolarHBondContact OD1-ND2 2.86Å; N328-N391 VanDerWaalsContact OD1-ND2 3.11Å
329	G	84.4	Confident	91.8	Very high	65 Å²	65	44.1 Å²	44.1	67%	0.67	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	74.3	-11.4	177.8	0	0	0	0	0	116.1
330	F	91.9	Very high	91.7	Very high	60 Å²	60	39.7 Å²	39.7	26%	0.263	23%	0.225	S	C	.	.			trans	-103.6	138.2	-173.5	-51.3	-54.8	0	0	0	112.8	Q326 N328 E335 C336 A339 L393	Q326-F330 VanDerWaalsContact O-CD2 3.28Å; Q326-F330 WeakPolarHBondContact O-CD2 3.47Å; Q326-F330 VanDerWaalsContact O-CE2 3.31Å; Q326-F330 WeakPolarHBondContact O-CE2 3.45Å; N328-F330 WeakPolarHBondContact O-CD2 3.37Å; N328-F330 WeakPolarHBondContact O-CE2 3.4Å; N328-F330 PolarHBondContact O-N 3.45Å; N328-F330 VanDerWaalsContact O-N 3.15Å; F330-E335 HydrophobicContact CD1-CG 3.99Å; F330-C336 HydrophobicContact CB-CB 3.88Å; F330-C336 HydrophobicContact CD2-CB 3.77Å; F330-C336 HydrophobicContact CG-CB 3.96Å; F330-A339 HydrophobicContact CD1-CB 4.48Å; F330-A339 HydrophobicContact CE1-CB 3.54Å; F330-A339 HydrophobicContact CE2-CB 4.1Å; F330-A339 HydrophobicContact CZ-CB 3.31Å; F330-L393 HydrophobicContact CB-CD1 4.24Å
331	K	91.9	Very high	91.6	Very high	125 Å²	125	39 Å²	39	54%	0.543	22%	0.222	S	C	.	.	S	Bend	trans	-78.7	-40.8	176.6	-174.2	-164.3	169.5	-155.4	0	112.2	E335 E394	K331-E335 PolarHBondContact N-OE2 2.98Å; K331-E394 WeakPolarHBondContact CE-OE2 3.42Å; K331-E394 IonicContact NZ-OE2 3.59Å; K331-E394 PolarHBondContact O-N 3.42Å
332	D	94.5	Very high	91.5	Very high	48 Å²	48	41.4 Å²	41.4	26%	0.257	23%	0.232	S	C	.	.	B	Isolated β-bridge	trans	-138.9	163.4	-171	70	64.5	0	0	0	113.6	H334 E335 C336 E394	D332-H334 PolarHBondContact O-N 3.06Å; D332-H334 VanDerWaalsContact OD1-CA 3.32Å; D332-H334 WeakPolarHBondContact OD1-CA 3.43Å; D332-H334 VanDerWaalsContact OD1-CB 3.26Å; D332-H334 WeakPolarHBondContact OD1-CB 3.18Å; D332-H334 PolarHBondContact OD1-N 2.83Å; D332-E335 PolarHBondContact O-N 3.17Å; D332-E335 PolarHBondContact OD1-N 3.12Å; D332-C336 WeakPolarHBondContact O-CB 3.34Å; D332-C336 PolarHBondContact O-N 2.79Å; D332-E394 CarbonylContact C-O 3.59Å; D332-E394 WeakPolarHBondContact CA-O 3.43Å; D332-E394 HydrophobicContact CB-CB 4.26Å; D332-E394 WeakPolarHBondContact CB-O 3.37Å
333	L	96.5	Very high	90.9	Very high	1 Å²	1	44.3 Å²	44.3	1%	0.005	25%	0.245	C	C	.	.	H	α-helix	trans	-61.1	-29.3	-178.7	-175.7	63.2	0	0	0	113.1	L325 L337 L374 E394 F395 L399 L652 Y654	L325-L333 HydrophobicContact CD1-CD1 3.5Å; L333-L337 WeakPolarHBondContact O-CB 3.48Å; L333-L337 PolarHBondContact O-N 2.86Å; L333-L374 HydrophobicContact CD1-CD2 4.39Å; L333-E394 PolarHBondContact N-O 2.85Å; L333-F395 HydrophobicContact CB-CB 3.95Å; L333-F395 HydrophobicContact CD2-CB 3.93Å; L333-L399 HydrophobicContact CD2-CD1 4.31Å; L333-L399 HydrophobicContact CD2-CD2 4.08Å; L333-L652 HydrophobicContact CD1-CD1 4.27Å; L333-L652 HydrophobicContact CD2-CD1 3.82Å; L333-Y654 HydrophobicContact CD2-CE2 3.97Å; L333-Y654 VanDerWaalsContact CD2-OH 3.28Å; L333-Y654 WeakPolarHBondContact CD2-OH 3.34Å
334	H	95.5	Very high	89.7	Confident	36 Å²	36	46.2 Å²	46.2	17%	0.167	27%	0.268	C	S	.	.	H	α-helix	trans	-72	-40.1	177.3	-88.6	-54.3	0	0	0	111.6	D332 E338 L399 Y400 R403 Y404	D332-H334 PolarHBondContact O-N 3.06Å; D332-H334 VanDerWaalsContact OD1-CA 3.32Å; D332-H334 WeakPolarHBondContact OD1-CA 3.43Å; D332-H334 VanDerWaalsContact OD1-CB 3.26Å; D332-H334 WeakPolarHBondContact OD1-CB 3.18Å; D332-H334 PolarHBondContact OD1-N 2.83Å; H334-E338 WeakPolarHBondContact O-CB 3.06Å; H334-E338 PolarHBondContact O-N 3.26Å; H334-L399 VanDerWaalsContact CE1-CD1 3.46Å; H334-L399 WeakPolarHBondContact CE1-CD1 3.23Å; H334-Y400 PolarHBondContact CE1-O 3.02Å; H334-R403 PolarHBondContact CD2-NH2 3.23Å; H334-R403 PolarHBondContact CE1-NH2 3Å; H334-R403 PolarHBondContact NE2-NH2 3.23Å; H334-Y404 WeakPolarHBondContact CA-OH 3.45Å; H334-Y404 AromaticContact ND1-CE2 3.63Å; H334-Y404 AromaticContact ND1-CZ 3.67Å; H334-Y404 PolarHBondContact ND1-OH 3.5Å; H334-Y404 PolarHBondContact O-OH 2.98Å
335	E	93	Very high	88.1	Confident	63 Å²	63	48.2 Å²	48.2	29%	0.294	27%	0.27	S	S	.	.	H	α-helix	trans	-68.1	-43.3	175.7	-166.3	168.8	-124.7	0	0	111.6	F330 K331 D332 E338 A339 K423	F330-E335 HydrophobicContact CD1-CG 3.99Å; K331-E335 PolarHBondContact N-OE2 2.98Å; D332-E335 PolarHBondContact O-N 3.17Å; D332-E335 PolarHBondContact OD1-N 3.12Å; E335-E338 PolarHBondContact O-N 3.48Å; E335-A339 PolarHBondContact O-N 3.06Å; E335-K423 IonicContact OE1-NZ 3.74Å; E335-K423 PolarHBondContact OE1-NZ 2.84Å
336	C	94	Very high	86.1	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-61	-45.2	175.9	-178.6	0	0	0	0	112.8	Q326 F330 D332 A339 A340 L393	Q326-C336 PolarHBondContact O-SG 3.05Å; F330-C336 HydrophobicContact CB-CB 3.88Å; F330-C336 HydrophobicContact CD2-CB 3.77Å; F330-C336 HydrophobicContact CG-CB 3.96Å; D332-C336 WeakPolarHBondContact O-CB 3.34Å; D332-C336 PolarHBondContact O-N 2.79Å; C336-A339 PolarHBondContact O-N 2.9Å; C336-A340 WeakPolarHBondContact O-CB 3.45Å; C336-A340 PolarHBondContact O-N 2.81Å; C336-L393 HydrophobicContact CB-CD1 4.22Å
337	L	94.9	Very high	84.1	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-72.2	-35.1	177.4	-156.9	178.5	0	0	0	111.8	L325 L333 A339 A340 M341 F372 L401 Y404	L325-L337 HydrophobicContact CD2-CB 4.41Å; L325-L337 HydrophobicContact CD2-CG 4.34Å; L333-L337 WeakPolarHBondContact O-CB 3.48Å; L333-L337 PolarHBondContact O-N 2.86Å; L337-A339 VanDerWaalsContact C-N 3.34Å; L337-A339 PolarHBondContact O-N 3.4Å; L337-A340 PolarHBondContact O-N 2.89Å; L337-M341 HydrophobicContact CD2-CE 3.71Å; L337-M341 HydrophobicContact CD2-CG 3.95Å; L337-M341 HydrophobicContact CD2-SD 3.78Å; L337-M341 WeakPolarHBondContact O-CG 3.29Å; L337-M341 PolarHBondContact O-N 2.92Å; L337-F372 HydrophobicContact CD1-CE1 3.59Å; L337-F372 HydrophobicContact CD1-CZ 3.54Å; L337-F372 HydrophobicContact CG-CE1 4.09Å; L337-L401 HydrophobicContact CD1-CD2 4.28Å; L337-Y404 HydrophobicContact CD1-CD2 4.3Å; L337-Y404 HydrophobicContact CD1-CE2 3.91Å; L337-Y404 HydrophobicContact CD2-CD1 3.81Å; L337-Y404 HydrophobicContact CD2-CD2 4.21Å; L337-Y404 HydrophobicContact CD2-CE1 3.76Å; L337-Y404 HydrophobicContact CD2-CE2 4.17Å; L337-Y404 HydrophobicContact CD2-CG 4.04Å
338	E	92.2	Very high	81.6	Confident	32 Å²	32	56.6 Å²	56.6	15%	0.15	32%	0.32	C	S	.	.	H	α-helix	trans	-61.9	-41.2	173.4	-169.6	88.3	142.4	0	0	111.4	H334 E335 M341 I342 Y404 R416	H334-E338 WeakPolarHBondContact O-CB 3.06Å; H334-E338 PolarHBondContact O-N 3.26Å; E335-E338 PolarHBondContact O-N 3.48Å; E338-M341 PolarHBondContact O-N 3.09Å; E338-I342 HydrophobicContact CG-CD1 4.41Å; E338-I342 WeakPolarHBondContact O-CG1 3.28Å; E338-Y404 HydrophobicContact CB-CE1 4.4Å; E338-Y404 VanDerWaalsContact OE2-CE1 3.25Å; E338-Y404 WeakPolarHBondContact OE2-CE1 3.47Å; E338-R416 VanDerWaalsContact OE1-CG 3.24Å; E338-R416 WeakPolarHBondContact OE1-CG 3.35Å; E338-R416 IonicContact OE1-CZ 2.86Å; E338-R416 IonicContact OE1-NE 3.63Å; E338-R416 PolarHBondContact OE1-NE 3.45Å; E338-R416 IonicContact OE1-NH2 2.68Å; E338-R416 IonicContact OE2-CZ 2.71Å; E338-R416 IonicContact OE2-NE 3.96Å; E338-R416 PolarHBondContact OE2-NE 2.89Å; E338-R416 IonicContact OE2-NH2 3.24Å; E338-R416 PolarHBondContact OE2-NH2 2.89Å
339	A	90.9	Very high	79.4	Confident	40 Å²	40	61.6 Å²	61.6	33%	0.331	35%	0.346	S	S	.	.	H	α-helix	trans	-68.5	-44.3	175.3	0	0	0	0	0	112.5	F330 E335 C336 L337 M341 I342	F330-A339 HydrophobicContact CD1-CB 4.48Å; F330-A339 HydrophobicContact CE1-CB 3.54Å; F330-A339 HydrophobicContact CE2-CB 4.1Å; F330-A339 HydrophobicContact CZ-CB 3.31Å; E335-A339 PolarHBondContact O-N 3.06Å; C336-A339 PolarHBondContact O-N 2.9Å; L337-A339 VanDerWaalsContact C-N 3.34Å; L337-A339 PolarHBondContact O-N 3.4Å; A339-M341 PolarHBondContact O-N 3.11Å; A339-I342 PolarHBondContact O-N 3.43Å
340	A	91	Very high	77.4	Confident	28 Å²	28	66.8 Å²	66.8	23%	0.231	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	6.6	176.1	0	0	0	0	0	114.7	Y323 L325 C336 L337 H361	Y323-A340 HydrophobicContact CE1-CB 4.27Å; Y323-A340 PolarHBondContact OH-O 3.12Å; L325-A340 HydrophobicContact CD2-CB 3.43Å; L325-A340 VanDerWaalsContact CD2-CB 3.43Å; C336-A340 WeakPolarHBondContact O-CB 3.45Å; C336-A340 PolarHBondContact O-N 2.81Å; L337-A340 PolarHBondContact O-N 2.89Å; A340-H361 PolarHBondContact O-CE1 3.45Å
341	M	90	Very high	74.7	Confident	0 Å²	0	68.1 Å²	68.1	0%	0	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.2	4.4	171.1	-74.1	-162.8	162.5	0	0	113.6	Y323 L337 E338 A339 E360 H361 F363 Y404	Y323-M341 HydrophobicContact CE2-CE 4.38Å; L337-M341 HydrophobicContact CD2-CE 3.71Å; L337-M341 HydrophobicContact CD2-CG 3.95Å; L337-M341 HydrophobicContact CD2-SD 3.78Å; L337-M341 WeakPolarHBondContact O-CG 3.29Å; L337-M341 PolarHBondContact O-N 2.92Å; E338-M341 PolarHBondContact O-N 3.09Å; A339-M341 PolarHBondContact O-N 3.11Å; M341-E360 CarbonylContact O-C 3.53Å; M341-E360 VanDerWaalsContact O-CA 3.3Å; M341-E360 WeakPolarHBondContact O-CA 3.4Å; M341-H361 HydrophobicContact CB-CB 4.15Å; M341-H361 HydrophobicContact CG-CB 4.03Å; M341-H361 PolarHBondContact O-N 2.71Å; M341-F363 HydrophobicContact CE-CD1 4.13Å; M341-F363 HydrophobicContact CE-CD2 3.58Å; M341-F363 HydrophobicContact CE-CE1 3.8Å; M341-F363 HydrophobicContact CE-CE2 3.24Å; M341-F363 HydrophobicContact CE-CG 4.03Å; M341-F363 HydrophobicContact CE-CZ 3.35Å; M341-Y404 HydrophobicContact SD-CD1 3.61Å; M341-Y404 HydrophobicContact SD-CG 4.04Å
342	I	87.1	Confident	72.4	Confident	63 Å²	63	70.8 Å²	70.8	32%	0.323	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	91	-178.3	-55.4	172.7	0	0	0	109	E338 A339 G344	E338-I342 HydrophobicContact CG-CD1 4.41Å; E338-I342 WeakPolarHBondContact O-CG1 3.28Å; A339-I342 PolarHBondContact O-N 3.43Å; I342-G344 PolarHBondContact O-N 2.91Å
343	E	77.4	Confident	70	Confident	101 Å²	101	76 Å²	76	47%	0.472	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	97.4	178.1	-70.8	-178.7	-138.2	0	0	110.2	G358 Q359 H361	E343-G358 CarbonylContact O-C 3.56Å; E343-G358 VanDerWaalsContact O-CA 3.31Å; E343-G358 WeakPolarHBondContact O-CA 3.4Å; E343-Q359 HydrophobicContact CB-CB 4.22Å; E343-Q359 PolarHBondContact N-O 2.74Å; E343-Q359 PolarHBondContact O-N 3.05Å; E343-H361 IonicContact OE1-NE2 3.52Å; E343-H361 PolarHBondContact OE1-NE2 2.88Å
344	G	66.3	Low	67.6	Low	50 Å²	50	79.3 Å²	79.3	52%	0.515	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	93.6	-177.9	175.8	0	0	0	0	0	115.4	I342 I346	I342-G344 PolarHBondContact O-N 2.91Å; G344-I346 PolarHBondContact O-N 3.4Å
345	E	59.1	Low	65.6	Low	126 Å²	126	81.2 Å²	81.2	59%	0.589	46%	0.464	S	S	*	.			trans	-84	104.1	-174.3	-67.7	-175.5	157	0	0	112.3	K356	E345-K356 HydrophobicContact CB-CD 4.41Å; E345-K356 WeakPolarHBondContact OE2-CD 3.43Å; E345-K356 VanDerWaalsContact OE2-CE 3.3Å; E345-K356 WeakPolarHBondContact OE2-CE 3.37Å; E345-K356 IonicContact OE2-NZ 3.97Å; E345-K356 PolarHBondContact OE2-NZ 2.76Å
346	I	50.4	Low	64.2	Low	81 Å²	81	83.4 Å²	83.4	42%	0.415	47%	0.473	S	S	.	.			trans	-105.3	103.3	168.4	-51.9	176.4	0	0	0	109.1	G344 E360	G344-I346 PolarHBondContact O-N 3.4Å; I346-E360 HydrophobicContact CD1-CB 3.94Å; I346-E360 HydrophobicContact CD1-CG 3.93Å
347	E	46.9	Very low	63.3	Low	126 Å²	126	86.6 Å²	86.6	59%	0.589	50%	0.495	S	S	*	.			trans	-115.5	124.3	171.4	-75.2	-158.9	144.7	0	0	113.1	K420	E347-K420 IonicContact OE1-NZ 2.64Å; E347-K420 PolarHBondContact OE1-NZ 3Å
348	S	39.3	Very low	62.7	Low	88 Å²	88	87.1 Å²	87.1	62%	0.615	50%	0.5	S	S	*	.			trans	47.6	137.5	146	-158.7	0	0	0	0	121.4	H350	S348-H350 PolarHBondContact O-N 3.2Å
349	L	40.2	Very low	62.5	Low	160 Å²	160	87.4 Å²	87.4	84%	0.838	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	5.9	-178.1	-76.2	160.3	0	0	0	116.7
350	H	41.7	Very low	62.5	Low	174 Å²	174	86.1 Å²	86.1	81%	0.806	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-134	22.9	-165.3	-70.8	87.4	0	0	0	115.4	S348	S348-H350 PolarHBondContact O-N 3.2Å
351	S	36.3	Very low	62.6	Low	89 Å²	89	85.8 Å²	85.8	62%	0.622	48%	0.482	S	S	*	.			trans	-116	91.1	172.8	-163.8	0	0	0	0	112.3
352	E	42.5	Very low	62.9	Low	181 Å²	181	85.8 Å²	85.8	85%	0.846	48%	0.482	S	S	*	.			trans	-74.8	127.5	159.9	-69.1	-167.1	165.5	0	0	109
353	N	44.3	Very low	63.4	Low	156 Å²	156	82.8 Å²	82.8	83%	0.834	47%	0.467	S	S	*	.	S	Bend	trans	90.9	52.6	176.4	-47.4	-69.5	0	0	0	118.8
354	S	45.9	Very low	64.2	Low	72 Å²	72	80.7 Å²	80.7	50%	0.503	46%	0.461	S	S	.	.				-147.6	137.8	129.2	71.2	0	0	0	0	111.7	K356	S354-K356 PolarHBondContact O-N 3.17Å
355	G	54.3	Low	65.6	Low	75 Å²	75	82.7 Å²	82.7	77%	0.773	46%	0.457	S	S	*	.			trans	-82.8	51.7	-177.2	0	0	0	0	0	113.5
356	K	63.9	Low	67.4	Low	109 Å²	109	77.9 Å²	77.9	47%	0.474	44%	0.435	S	S	.	.			trans	-70.4	145	175.9	-68.1	-175.7	-180	-172.1	0	110.8	E345 S354	E345-K356 HydrophobicContact CB-CD 4.41Å; E345-K356 WeakPolarHBondContact OE2-CD 3.43Å; E345-K356 VanDerWaalsContact OE2-CE 3.3Å; E345-K356 WeakPolarHBondContact OE2-CE 3.37Å; E345-K356 IonicContact OE2-NZ 3.97Å; E345-K356 PolarHBondContact OE2-NZ 2.76Å; S354-K356 PolarHBondContact O-N 3.17Å
357	S	75.4	Confident	69.5	Low	68 Å²	68	74 Å²	74	48%	0.476	42%	0.416	S	S	.	.			trans	-105.8	143.8	172.5	52.2	0	0	0	0	111	V308	V308-S357 WeakPolarHBondContact O-CA 3.36Å; V308-S357 VanDerWaalsContact O-CB 3.24Å; V308-S357 WeakPolarHBondContact O-CB 3.41Å
358	G	80.9	Confident	71.9	Confident	10 Å²	10	69.4 Å²	69.4	10%	0.103	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-169.7	154.3	177	0	0	0	0	0	111.7	G307 V308 E343	G307-G358 CarbonylContact C-O 3.53Å; G307-G358 WeakPolarHBondContact CA-O 3.4Å; V308-G358 PolarHBondContact N-O 2.88Å; V308-G358 PolarHBondContact O-N 2.84Å; V308-G358 VanDerWaalsContact O-N 3.14Å; E343-G358 CarbonylContact O-C 3.56Å; E343-G358 VanDerWaalsContact O-CA 3.31Å; E343-G358 WeakPolarHBondContact O-CA 3.4Å
359	Q	87.6	Confident	74.6	Confident	39 Å²	39	65.2 Å²	65.2	18%	0.182	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	137.1	-170.5	171.7	170.8	-31.5	0	0	110.5	F314 E343	F314-Q359 HydrophobicContact CE2-CG 4.47Å; F314-Q359 HydrophobicContact CZ-CB 4.15Å; F314-Q359 HydrophobicContact CZ-CG 3.99Å; F314-Q359 VanDerWaalsContact CZ-OE1 3.25Å; E343-Q359 HydrophobicContact CB-CB 4.22Å; E343-Q359 PolarHBondContact N-O 2.74Å; E343-Q359 PolarHBondContact O-N 3.05Å
360	E	91.4	Very high	77.2	Confident	12 Å²	12	57.6 Å²	57.6	6%	0.056	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	136.6	177.5	46.5	159.2	-127.5	0	0	110.3	V306 M341 I346 W362 R413	V306-E360 HydrophobicContact CB-CG 4.2Å; V306-E360 PolarHBondContact N-O 2.83Å; V306-E360 WeakPolarHBondContact O-CG 3.34Å; V306-E360 PolarHBondContact O-N 2.73Å; M341-E360 CarbonylContact O-C 3.53Å; M341-E360 VanDerWaalsContact O-CA 3.3Å; M341-E360 WeakPolarHBondContact O-CA 3.4Å; I346-E360 HydrophobicContact CD1-CB 3.94Å; I346-E360 HydrophobicContact CD1-CG 3.93Å; E360-W362 PolarHBondContact OE1-NE1 3.32Å; E360-R413 IonicContact OE1-CZ 3.98Å; E360-R413 IonicContact OE1-NE 3Å; E360-R413 IonicContact OE1-NH2 2.7Å; E360-R413 PolarHBondContact OE1-NH2 2.8Å; E360-R413 IonicContact OE2-CZ 2.7Å; E360-R413 IonicContact OE2-NE 3.24Å; E360-R413 PolarHBondContact OE2-NE 2.69Å; E360-R413 IonicContact OE2-NH2 2.98Å; E360-R413 PolarHBondContact OE2-NH2 3.13Å
361	H	93.8	Very high	79.8	Confident	21 Å²	21	50 Å²	50	10%	0.097	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	142.3	177.2	-62.3	166.8	0	0	0	111.3	F303 L304 Y323 A340 M341 E343	F303-H361 HydrophobicContact CD2-CB 3.95Å; F303-H361 AromaticContact CD2-CG 3.82Å; F303-H361 HydrophobicContact CE2-CB 4.4Å; F303-H361 AromaticContact CE2-CD2 3.82Å; F303-H361 AromaticContact CE2-CG 3.76Å; F303-H361 AromaticContact CE2-ND1 3.81Å; L304-H361 WeakPolarHBondContact O-CA 3.41Å; Y323-H361 AromaticContact CZ-CE1 3.55Å; Y323-H361 PolarHBondContact OH-CE1 3.4Å; Y323-H361 PolarHBondContact OH-ND1 2.98Å; A340-H361 PolarHBondContact O-CE1 3.45Å; M341-H361 HydrophobicContact CB-CB 4.15Å; M341-H361 HydrophobicContact CG-CB 4.03Å; M341-H361 PolarHBondContact O-N 2.71Å; E343-H361 IonicContact OE1-NE2 3.52Å; E343-H361 PolarHBondContact OE1-NE2 2.88Å
362	W	95.7	Very high	82.6	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	129.7	174.2	-57.3	91.6	0	0	0	111.4	F303 L304 E360 T364 H406 R409 T412 R413	F303-W362 CarbonylContact C-O 3.55Å; F303-W362 VanDerWaalsContact CA-O 3.28Å; F303-W362 WeakPolarHBondContact CA-O 3.47Å; L304-W362 PolarHBondContact N-O 2.99Å; L304-W362 PolarHBondContact O-N 3.47Å; E360-W362 PolarHBondContact OE1-NE1 3.32Å; W362-T364 PolarHBondContact O-N 3.03Å; W362-H406 HydrophobicContact CB-CB 3.85Å; W362-R409 HydrophobicContact CD2-CB 4.02Å; W362-R409 HydrophobicContact CD2-CG 4.01Å; W362-R409 HydrophobicContact CE3-CB 4Å; W362-R409 HydrophobicContact CE3-CG 4.36Å; W362-R409 HydrophobicContact CH2-CB 4.24Å; W362-R409 HydrophobicContact CH2-CG 4Å; W362-R409 HydrophobicContact CZ2-CB 4.24Å; W362-R409 HydrophobicContact CZ2-CG 3.6Å; W362-R409 HydrophobicContact CZ3-CB 4.12Å; W362-R409 HydrophobicContact CZ3-CG 4.36Å; W362-T412 HydrophobicContact CH2-CG2 3.89Å; W362-T412 HydrophobicContact CZ3-CG2 3.87Å; W362-R413 HydrophobicContact CH2-CG 4.33Å; W362-R413 HydrophobicContact CZ2-CG 4.21Å
363	F	97.4	Very high	85	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66	127.7	173.3	-67	-51.9	0	0	0	110.7	F303 F320 Y323 M341 L366 Y404 M405 H406	F303-F363 HydrophobicContact CB-CD1 4.05Å; F320-F363 HydrophobicContact CD1-CE1 4.33Å; F320-F363 HydrophobicContact CD2-CE1 4.48Å; F320-F363 AromaticContact CE1-CD1 3.61Å; F320-F363 HydrophobicContact CE1-CD1 3.61Å; F320-F363 AromaticContact CE1-CE1 3.61Å; F320-F363 HydrophobicContact CE1-CE1 3.61Å; F320-F363 AromaticContact CE2-CE1 3.81Å; F320-F363 HydrophobicContact CE2-CE1 3.81Å; F320-F363 HydrophobicContact CE2-CZ 4.42Å; F320-F363 AromaticContact CZ-CD1 3.63Å; F320-F363 HydrophobicContact CZ-CD1 3.63Å; F320-F363 AromaticContact CZ-CE1 3.31Å; F320-F363 HydrophobicContact CZ-CE1 3.31Å; F320-F363 HydrophobicContact CZ-CZ 4.18Å; Y323-F363 AromaticContact CD2-CE1 3.75Å; Y323-F363 HydrophobicContact CD2-CE1 3.75Å; Y323-F363 AromaticContact CD2-CZ 3.86Å; Y323-F363 HydrophobicContact CD2-CZ 3.86Å; Y323-F363 AromaticContact CE2-CE1 3.82Å; Y323-F363 HydrophobicContact CE2-CE1 3.82Å; Y323-F363 HydrophobicContact CE2-CZ 4.02Å; M341-F363 HydrophobicContact CE-CD1 4.13Å; M341-F363 HydrophobicContact CE-CD2 3.58Å; M341-F363 HydrophobicContact CE-CE1 3.8Å; M341-F363 HydrophobicContact CE-CE2 3.24Å; M341-F363 HydrophobicContact CE-CG 4.03Å; M341-F363 HydrophobicContact CE-CZ 3.35Å; F363-L366 HydrophobicContact CB-CD2 3.91Å; F363-L366 HydrophobicContact CB-CG 4.16Å; F363-L366 HydrophobicContact CD1-CD2 3.87Å; F363-L366 HydrophobicContact CD2-CD2 3.54Å; F363-L366 HydrophobicContact CD2-CG 4.46Å; F363-L366 HydrophobicContact CE1-CD2 4.24Å; F363-L366 HydrophobicContact CE2-CD2 3.9Å; F363-L366 HydrophobicContact CG-CD2 3.51Å; F363-L366 HydrophobicContact CG-CG 4.3Å; F363-L366 HydrophobicContact CZ-CD2 4.25Å; F363-Y404 PolarHBondContact N-O 3.11Å; F363-M405 HydrophobicContact CB-CE 4.44Å; F363-M405 HydrophobicContact CB-SD 3.78Å; F363-M405 WeakPolarHBondContact O-CA 3.49Å; F363-H406 PolarHBondContact O-N 2.71Å
364	T	95.5	Very high	87.3	Confident	57 Å²	57	32.1 Å²	32.1	35%	0.35	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	-37.3	172.5	54.2	0	0	0	0	110.7	R302 L304 W362 H406	R302-T364 PolarHBondContact O-N 2.94Å; R302-T364 PolarHBondContact O-OG1 3.1Å; L304-T364 HydrophobicContact CB-CG2 3.77Å; W362-T364 PolarHBondContact O-N 3.03Å; T364-H406 HydrophobicContact CG2-CB 4Å
365	E	95.5	Very high	89.3	Confident	92 Å²	92	31.1 Å²	31.1	43%	0.43	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	128.4	175.8	-174.4	165	-122	0	0	108.6	G301 R302	G301-E365 CarbonylContact C-O 3.51Å; G301-E365 WeakPolarHBondContact CA-O 3.18Å; R302-E365 HydrophobicContact CB-CB 4.24Å; R302-E365 IonicContact CZ-OE2 2.69Å; R302-E365 PolarHBondContact N-O 3.46Å; R302-E365 IonicContact NE-OE2 2.62Å; R302-E365 PolarHBondContact NE-OE2 2.9Å; R302-E365 IonicContact NH2-OE1 3.24Å; R302-E365 IonicContact NH2-OE2 3.92Å; R302-E365 PolarHBondContact NH2-OE2 3.05Å; R302-E365 PolarHBondContact O-N 3.02Å; R302-E365 VanDerWaalsContact O-O 3.08Å
366	L	96.4	Very high	90.9	Very high	25 Å²	25	27.9 Å²	27.9	13%	0.131	15%	0.152	C	C	.	.			trans	-105.3	138.4	177.6	-75.5	171.7	0	0	0	109.4	F320 F363 L370 L401 M405 V589 Y591	F320-L366 HydrophobicContact CZ-CD2 4.25Å; F363-L366 HydrophobicContact CB-CD2 3.91Å; F363-L366 HydrophobicContact CB-CG 4.16Å; F363-L366 HydrophobicContact CD1-CD2 3.87Å; F363-L366 HydrophobicContact CD2-CD2 3.54Å; F363-L366 HydrophobicContact CD2-CG 4.46Å; F363-L366 HydrophobicContact CE1-CD2 4.24Å; F363-L366 HydrophobicContact CE2-CD2 3.9Å; F363-L366 HydrophobicContact CG-CD2 3.51Å; F363-L366 HydrophobicContact CG-CG 4.3Å; F363-L366 HydrophobicContact CZ-CD2 4.25Å; L366-L370 HydrophobicContact CD2-CD2 4.34Å; L366-L401 HydrophobicContact CD1-CB 3.94Å; L366-L401 HydrophobicContact CD1-CD1 3.59Å; L366-L401 HydrophobicContact CD1-CG 4.42Å; L366-L401 HydrophobicContact CD2-CD1 4.18Å; L366-M405 HydrophobicContact CD1-CE 4.42Å; L366-M405 HydrophobicContact CD1-SD 3.48Å; L366-M405 WeakPolarHBondContact CD1-SD 3.31Å; L366-M405 HydrophobicContact CG-CE 4.47Å; L366-M405 HydrophobicContact CG-SD 3.87Å; L366-V589 HydrophobicContact CD1-CG1 3.96Å; L366-Y591 WeakPolarHBondContact CB-OH 3.39Å; L366-Y591 HydrophobicContact CD1-CE2 4.03Å
367	P	95.4	Very high	91.8	Very high	1 Å²	1	26 Å²	26	1%	0.006	15%	0.145	C	C	.	.			trans	-65.8	150.2	172.9	30.2	-34.7	0	0	0	110.4	F299 V369 L370 Y591	F299-P367 WeakPolarHBondContact O-CB 3.44Å; P367-V369 VanDerWaalsContact CB-O 3.31Å; P367-V369 WeakPolarHBondContact CB-O 3.24Å; P367-V369 WeakPolarHBondContact CG-O 3.47Å; P367-V369 PolarHBondContact O-N 2.93Å; P367-L370 HydrophobicContact CG-CB 4.27Å; P367-L370 HydrophobicContact CG-CD1 4.04Å; P367-Y591 WeakPolarHBondContact O-CE1 3.32Å; P367-Y591 PolarHBondContact O-OH 3.24Å
368	P	95.6	Very high	92.1	Very high	28 Å²	28	25.4 Å²	25.4	18%	0.182	13%	0.134	C	C	.	.	S	Bend	trans	-56.5	-28.6	169.9	-23.1	33.3	0	0	0	112.7	E297 L298 I655 N656 F661 L662	E297-P368 WeakPolarHBondContact O-CD 3.23Å; E297-P368 WeakPolarHBondContact O-CG 3.39Å; L298-P368 HydrophobicContact CD1-CB 4.42Å; L298-P368 WeakPolarHBondContact O-CD 3.47Å; P368-I655 WeakPolarHBondContact O-CA 3.37Å; P368-N656 PolarHBondContact O-N 2.97Å; P368-F661 HydrophobicContact CB-CZ 4.42Å; P368-F661 HydrophobicContact CG-CZ 4.48Å; P368-L662 HydrophobicContact CB-CD1 3.96Å; P368-L662 HydrophobicContact CB-CD2 4.17Å; P368-L662 WeakPolarHBondContact O-CD1 3.48Å
369	V	95.8	Very high	92.1	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	113.7	174.2	-172.3	0	0	0	0	109.3	L190 L298 F299 P367 M653 Y654 I655 L662	L190-V369 HydrophobicContact CD1-CG2 4.03Å; L190-V369 HydrophobicContact CD2-CG1 4.4Å; L190-V369 HydrophobicContact CD2-CG2 3.66Å; L190-V369 HydrophobicContact CG-CG2 4.5Å; L298-V369 HydrophobicContact CD1-CG2 3.72Å; L298-V369 HydrophobicContact CG-CG2 4.04Å; L298-V369 WeakPolarHBondContact O-CB 3.41Å; L298-V369 PolarHBondContact O-N 3.34Å; F299-V369 HydrophobicContact CD1-CB 4Å; F299-V369 HydrophobicContact CD1-CG1 3.99Å; F299-V369 HydrophobicContact CE1-CB 4.13Å; F299-V369 HydrophobicContact CE1-CG1 3.86Å; P367-V369 VanDerWaalsContact CB-O 3.31Å; P367-V369 WeakPolarHBondContact CB-O 3.24Å; P367-V369 WeakPolarHBondContact CG-O 3.47Å; P367-V369 PolarHBondContact O-N 2.93Å; V369-M653 HydrophobicContact CG1-CE 3.6Å; V369-M653 HydrophobicContact CG1-CG 3.94Å; V369-Y654 CarbonylContact C-O 3.59Å; V369-Y654 WeakPolarHBondContact CA-O 3.48Å; V369-I655 HydrophobicContact CG1-CG2 4.33Å; V369-I655 HydrophobicContact CG2-CG2 4.2Å; V369-L662 HydrophobicContact CG2-CD1 4.34Å; V369-L662 HydrophobicContact CG2-CD2 4.25Å
370	L	96.5	Very high	91.8	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	118.5	-176.5	179.3	62.2	0	0	0	110.1	F320 L366 P367 F372 L401 Y591 Y654	F320-L370 HydrophobicContact CE2-CD1 3.64Å; F320-L370 HydrophobicContact CZ-CD1 4.2Å; L366-L370 HydrophobicContact CD2-CD2 4.34Å; P367-L370 HydrophobicContact CG-CB 4.27Å; P367-L370 HydrophobicContact CG-CD1 4.04Å; L370-F372 HydrophobicContact CD1-CZ 4.49Å; L370-F372 HydrophobicContact CD2-CE1 4.33Å; L370-F372 HydrophobicContact CD2-CE2 3.69Å; L370-F372 HydrophobicContact CD2-CZ 3.45Å; L370-F372 VanDerWaalsContact CD2-CZ 3.45Å; L370-F372 HydrophobicContact CG-CE1 4.49Å; L370-F372 HydrophobicContact CG-CE2 3.9Å; L370-F372 HydrophobicContact CG-CZ 3.9Å; L370-L401 HydrophobicContact CD2-CD1 3.39Å; L370-L401 HydrophobicContact CD2-CD2 4.28Å; L370-L401 HydrophobicContact CD2-CG 4.48Å; L370-Y591 HydrophobicContact CB-CD1 4.02Å; L370-Y591 HydrophobicContact CB-CE1 3.87Å; L370-Y654 PolarHBondContact N-O 3.14Å; L370-Y654 PolarHBondContact O-N 3.09Å
371	T	94.9	Very high	91.6	Very high	14 Å²	14	38.1 Å²	38.1	9%	0.086	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	132.9	176.2	44.7	0	0	0	0	111.4	Q322 Y323 L652 M653	Q322-T371 WeakPolarHBondContact CA-OG1 3.27Å; Y323-T371 PolarHBondContact N-O 3.35Å; T371-L652 CarbonylContact C-O 3.41Å; T371-L652 WeakPolarHBondContact CA-O 3.47Å; T371-M653 HydrophobicContact CG2-CB 4.21Å; T371-M653 HydrophobicContact CG2-CG 4.06Å
372	F	95.7	Very high	91.2	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	131.6	171.9	-64.7	-74.3	0	0	0	110.2	Y323 L325 L337 L370 L399 L401 C651 L652 Y654	Y323-F372 WeakPolarHBondContact O-CA 3.36Å; L325-F372 HydrophobicContact CD1-CB 4.08Å; L325-F372 HydrophobicContact CD1-CD1 3.67Å; L325-F372 HydrophobicContact CD1-CE1 4.38Å; L325-F372 HydrophobicContact CD1-CG 4.08Å; L325-F372 HydrophobicContact CG-CD1 4.17Å; L337-F372 HydrophobicContact CD1-CE1 3.59Å; L337-F372 HydrophobicContact CD1-CZ 3.54Å; L337-F372 HydrophobicContact CG-CE1 4.09Å; L370-F372 HydrophobicContact CD1-CZ 4.49Å; L370-F372 HydrophobicContact CD2-CE1 4.33Å; L370-F372 HydrophobicContact CD2-CE2 3.69Å; L370-F372 HydrophobicContact CD2-CZ 3.45Å; L370-F372 VanDerWaalsContact CD2-CZ 3.45Å; L370-F372 HydrophobicContact CG-CE1 4.49Å; L370-F372 HydrophobicContact CG-CE2 3.9Å; L370-F372 HydrophobicContact CG-CZ 3.9Å; F372-L399 HydrophobicContact CE2-CD2 3.64Å; F372-L399 HydrophobicContact CZ-CD2 3.99Å; F372-L401 HydrophobicContact CZ-CD2 4.45Å; F372-C651 VanDerWaalsContact O-CA 3.29Å; F372-C651 WeakPolarHBondContact O-CA 3.35Å; F372-L652 HydrophobicContact CB-CB 4.41Å; F372-L652 PolarHBondContact N-O 3.06Å; F372-L652 PolarHBondContact O-N 3.12Å; F372-Y654 AromaticContact CD2-CD2 3.81Å; F372-Y654 HydrophobicContact CD2-CD2 3.81Å; F372-Y654 AromaticContact CD2-CE2 3.87Å; F372-Y654 HydrophobicContact CD2-CE2 3.87Å; F372-Y654 AromaticContact CE2-CD2 3.88Å; F372-Y654 HydrophobicContact CE2-CD2 3.88Å; F372-Y654 HydrophobicContact CE2-CE2 4.05Å
373	E	92.3	Very high	90.4	Very high	46 Å²	46	45.6 Å²	45.6	22%	0.215	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	134.7	169.3	-157.7	172.3	164.9	0	0	109.8	S264 Q322 Y323 P324 L325	S264-E373 WeakPolarHBondContact CB-OE1 3.46Å; S264-E373 PolarHBondContact OG-OE1 3.1Å; S264-E373 PolarHBondContact OG-OE2 3.4Å; Q322-E373 HydrophobicContact CG-CB 4.11Å; Q322-E373 VanDerWaalsContact NE2-CD 3.28Å; Q322-E373 PolarHBondContact NE2-OE2 2.79Å; Y323-E373 PolarHBondContact O-N 3.2Å; P324-E373 HydrophobicContact CB-CB 4.39Å; L325-E373 WeakPolarHBondContact CA-O 3.39Å; L325-E373 WeakPolarHBondContact CB-O 3.38Å; L325-E373 PolarHBondContact N-O 3.37Å
374	L	92.6	Very high	89.7	Confident	5 Å²	5	48 Å²	48	3%	0.026	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	82.2	-179.7	-62.2	-174.9	0	0	0	109.4	L325 V327 L333 R376 L393 A649 Y650 L652	L325-L374 HydrophobicContact CB-CD2 4.45Å; L325-L374 HydrophobicContact CD1-CD2 4.26Å; V327-L374 HydrophobicContact CG2-CB 3.78Å; V327-L374 HydrophobicContact CG2-CD2 4.29Å; L333-L374 HydrophobicContact CD1-CD2 4.39Å; L374-R376 PolarHBondContact O-N 3.49Å; L374-L393 HydrophobicContact CD1-CD2 4.17Å; L374-L393 HydrophobicContact CD2-CD2 3.9Å; L374-A649 HydrophobicContact CD1-CB 3.93Å; L374-Y650 PolarHBondContact N-O 3.07Å; L374-L652 HydrophobicContact CD1-CD1 4.02Å; L374-L652 HydrophobicContact CD1-CD2 4.11Å; L374-L652 HydrophobicContact CD1-CG 3.83Å; L374-L652 HydrophobicContact CD2-CD1 4.45Å; L374-L652 HydrophobicContact CG-CG 4.28Å
375	S	89.1	Confident	89	Confident	52 Å²	52	50.7 Å²	50.7	36%	0.364	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	115.4	177	-174.3	0	0	0	0	110.5	L325 V327	L325-S375 PolarHBondContact O-N 3.34Å; V327-S375 WeakPolarHBondContact CB-O 3.48Å; V327-S375 WeakPolarHBondContact CG2-O 3.25Å; V327-S375 PolarHBondContact N-O 3.3Å
376	R	87.8	Confident	88.1	Confident	6 Å²	6	50.5 Å²	50.5	2%	0.023	28%	0.279	C	S	.	.			trans	-111.1	7.9	179.5	-70.5	172.8	175.3	-88.8	5.4	112.4	V327 L374 K388 I389 N391 F641 S648 A649	V327-R376 HydrophobicContact CB-CG 3.89Å; V327-R376 HydrophobicContact CG1-CG 4.08Å; V327-R376 HydrophobicContact CG2-CG 3.8Å; L374-R376 PolarHBondContact O-N 3.49Å; R376-K388 HydrophobicContact CB-CG 4.35Å; R376-K388 CarbonylContact O-C 3.24Å; R376-K388 WeakPolarHBondContact O-CA 3.3Å; R376-I389 HydrophobicContact CB-CG1 4.08Å; R376-I389 HydrophobicContact CG-CG1 4.39Å; R376-I389 WeakPolarHBondContact O-CG1 3.23Å; R376-I389 PolarHBondContact O-N 3.28Å; R376-N391 PolarHBondContact NH1-O 3.37Å; R376-F641 PolarHBondContact NH2-O 3.44Å; R376-S648 WeakPolarHBondContact CD-OG 3.5Å; R376-A649 PolarHBondContact NE-O 2.84Å
377	F	82.3	Confident	87.5	Confident	71 Å²	71	52.6 Å²	52.6	31%	0.311	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	122.4	-178.9	-65.6	-69.7	0	0	0	111.1	E387 K388 A603	F377-E387 WeakPolarHBondContact CA-O 3.31Å; F377-K388 HydrophobicContact CD1-CB 4.11Å; F377-K388 HydrophobicContact CE1-CB 3.7Å; F377-K388 HydrophobicContact CE1-CG 4.23Å; F377-A603 HydrophobicContact CD1-CB 4.17Å; F377-A603 HydrophobicContact CE1-CB 3.51Å; F377-A603 HydrophobicContact CE2-CB 4.42Å; F377-A603 HydrophobicContact CZ-CB 3.67Å
378	E	82.2	Confident	87	Confident	54 Å²	54	53.3 Å²	53.3	25%	0.252	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	154.6	173.7	-68	-162.7	155.9	0	0	111	Q326 N328 N380 P386 E387 I389	Q326-E378 PolarHBondContact NE2-OE1 2.91Å; N328-E378 WeakPolarHBondContact CB-OE1 3.46Å; N328-E378 PolarHBondContact ND2-OE1 3.29Å; N328-E378 PolarHBondContact ND2-OE2 3.25Å; E378-N380 PolarHBondContact O-N 3.02Å; E378-P386 CarbonylContact O-C 3.59Å; E378-P386 WeakPolarHBondContact O-CA 3.15Å; E378-E387 PolarHBondContact N-O 3.37Å; E378-E387 PolarHBondContact O-N 3.1Å; E378-I389 HydrophobicContact CB-CG2 4.2Å; E378-I389 HydrophobicContact CG-CG2 4.2Å
379	F	81.1	Confident	86.4	Confident	122 Å²	122	53.2 Å²	53.2	54%	0.535	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	107.2	179.5	-171.3	-98.8	0	0	0	111	Q381 G384	F379-Q381 PolarHBondContact O-N 2.88Å; F379-Q381 VanDerWaalsContact O-N 3.08Å; F379-G384 VanDerWaalsContact CE2-C 3.48Å; F379-G384 WeakPolarHBondContact CE2-O 3.26Å; F379-G384 VanDerWaalsContact CZ-C 3.44Å
380	N	81.4	Confident	85.7	Confident	50 Å²	50	57 Å²	57	27%	0.267	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	102.7	173.5	-176.8	-26.2	0	0	0	109.1	E378 A382 L383 G384 R385 E387	E378-N380 PolarHBondContact O-N 3.02Å; N380-A382 PolarHBondContact O-N 2.97Å; N380-A382 WeakPolarHBondContact OD1-CB 3.45Å; N380-A382 PolarHBondContact OD1-N 3.07Å; N380-L383 HydrophobicContact CB-CB 4.21Å; N380-L383 WeakPolarHBondContact ND2-CD1 3.46Å; N380-L383 CarbonylContact O-C 3.59Å; N380-L383 PolarHBondContact O-N 3.43Å; N380-L383 VanDerWaalsContact O-N 3.12Å; N380-L383 PolarHBondContact OD1-N 2.61Å; N380-G384 PolarHBondContact O-N 2.62Å; N380-R385 PolarHBondContact N-O 3.34Å; N380-E387 HydrophobicContact CB-CB 4.12Å; N380-E387 PolarHBondContact ND2-OE2 2.97Å
381	Q	85.6	Confident	85.2	Confident	157 Å²	157	60.6 Å²	60.6	73%	0.734	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-24.3	-177.5	-171.5	59.5	64.7	0	0	114	F379	F379-Q381 PolarHBondContact O-N 2.88Å; F379-Q381 VanDerWaalsContact O-N 3.08Å
382	A	85.6	Confident	85.1	Confident	95 Å²	95	63.7 Å²	63.7	79%	0.785	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-30.4	176.8	0	0	0	0	0	112.8	N380	N380-A382 PolarHBondContact O-N 2.97Å; N380-A382 WeakPolarHBondContact OD1-CB 3.45Å; N380-A382 PolarHBondContact OD1-N 3.07Å
383	L	80.8	Confident	85.1	Confident	82 Å²	82	63.7 Å²	63.7	43%	0.429	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.3	-7.7	176.8	-60.8	-176.3	0	0	0	113.9	N380 R385 E387	N380-L383 HydrophobicContact CB-CB 4.21Å; N380-L383 WeakPolarHBondContact ND2-CD1 3.46Å; N380-L383 CarbonylContact O-C 3.59Å; N380-L383 PolarHBondContact O-N 3.43Å; N380-L383 VanDerWaalsContact O-N 3.12Å; N380-L383 PolarHBondContact OD1-N 2.61Å; L383-R385 HydrophobicContact CB-CG 3.97Å; L383-R385 PolarHBondContact O-N 3.2Å; L383-E387 WeakPolarHBondContact CD1-OE1 3.48Å
384	G	82.3	Confident	85.2	Confident	50 Å²	50	64 Å²	64	52%	0.515	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.4	21.4	178.7	0	0	0	0	0	114.7	F379 N380	F379-G384 VanDerWaalsContact CE2-C 3.48Å; F379-G384 WeakPolarHBondContact CE2-O 3.26Å; F379-G384 VanDerWaalsContact CZ-C 3.44Å; N380-G384 PolarHBondContact O-N 2.62Å
385	R	79.8	Confident	85.5	Confident	114 Å²	114	64 Å²	64	43%	0.43	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	154.7	-173.2	69.6	-176.4	-172.7	-177.6	1	111.9	N380 L383 E387	N380-R385 PolarHBondContact N-O 3.34Å; L383-R385 HydrophobicContact CB-CG 3.97Å; L383-R385 PolarHBondContact O-N 3.2Å; R385-E387 IonicContact NH2-OE1 2.83Å
386	P	77.5	Confident	85.9	Confident	88 Å²	88	63.6 Å²	63.6	57%	0.571	34%	0.335	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64	138.3	167.3	28.3	-34.5	0	0	0	111.1	E378	E378-P386 CarbonylContact O-C 3.59Å; E378-P386 WeakPolarHBondContact O-CA 3.15Å
387	E	82.3	Confident	86.3	Confident	69 Å²	69	67.1 Å²	67.1	32%	0.322	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	149.2	-178.4	-173.7	155.8	-114	0	0	110.9	F377 E378 N380 L383 R385 I389	F377-E387 WeakPolarHBondContact CA-O 3.31Å; E378-E387 PolarHBondContact N-O 3.37Å; E378-E387 PolarHBondContact O-N 3.1Å; N380-E387 HydrophobicContact CB-CB 4.12Å; N380-E387 PolarHBondContact ND2-OE2 2.97Å; L383-E387 WeakPolarHBondContact CD1-OE1 3.48Å; R385-E387 IonicContact NH2-OE1 2.83Å; E387-I389 PolarHBondContact O-N 3.37Å
388	K	85.1	Confident	87	Confident	17 Å²	17	65.7 Å²	65.7	7%	0.074	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	111.3	-180	-175.6	-175.6	178.2	-174.5	0	109.4	R376 F377 H390 H599 N646 S648	R376-K388 HydrophobicContact CB-CG 4.35Å; R376-K388 CarbonylContact O-C 3.24Å; R376-K388 WeakPolarHBondContact O-CA 3.3Å; F377-K388 HydrophobicContact CD1-CB 4.11Å; F377-K388 HydrophobicContact CE1-CB 3.7Å; F377-K388 HydrophobicContact CE1-CG 4.23Å; K388-H390 PolarHBondContact O-CE1 3.48Å; K388-H390 PolarHBondContact O-N 3.06Å; K388-H390 PolarHBondContact O-ND1 3.04Å; K388-H599 PolarHBondContact NZ-O 3.45Å; K388-N646 PolarHBondContact NZ-O 3.12Å; K388-S648 WeakPolarHBondContact CE-OG 3.42Å; K388-S648 PolarHBondContact NZ-OG 3.35Å
389	I	84.4	Confident	87.8	Confident	26 Å²	26	63.1 Å²	63.1	13%	0.133	34%	0.337	C	S	.	.			trans	-67.9	132.2	172.5	77.4	-172.6	0	0	0	109.8	V327 N328 R376 E378 E387	V327-I389 HydrophobicContact CB-CD1 4.3Å; V327-I389 HydrophobicContact CG1-CD1 4.48Å; N328-I389 HydrophobicContact CB-CD1 3.52Å; R376-I389 HydrophobicContact CB-CG1 4.08Å; R376-I389 HydrophobicContact CG-CG1 4.39Å; R376-I389 WeakPolarHBondContact O-CG1 3.23Å; R376-I389 PolarHBondContact O-N 3.28Å; E378-I389 HydrophobicContact CB-CG2 4.2Å; E378-I389 HydrophobicContact CG-CG2 4.2Å; E387-I389 PolarHBondContact O-N 3.37Å
390	H	80.6	Confident	88.5	Confident	80 Å²	80	61.5 Å²	61.5	37%	0.37	33%	0.328	S	S	.	.			trans	-98.2	13.7	-178.4	-73.2	47.9	0	0	0	112.7	K388 G642 G643	K388-H390 PolarHBondContact O-CE1 3.48Å; K388-H390 PolarHBondContact O-N 3.06Å; K388-H390 PolarHBondContact O-ND1 3.04Å; H390-G642 CarbonylContact O-C 3.5Å; H390-G643 VanDerWaalsContact O-CA 3.28Å; H390-G643 WeakPolarHBondContact O-CA 3.26Å; H390-G643 PolarHBondContact O-N 3.2Å
391	N	85.8	Confident	89.3	Confident	74 Å²	74	59.1 Å²	59.1	40%	0.396	32%	0.315	S	S	.	.			trans	-55.3	137.9	179.5	-62.8	-4.4	0	0	0	111.7	N328 R376 L393	N328-N391 PolarHBondContact OD1-ND2 2.86Å; N328-N391 VanDerWaalsContact OD1-ND2 3.11Å; R376-N391 PolarHBondContact NH1-O 3.37Å; N391-L393 PolarHBondContact O-N 3.38Å
392	K	92.8	Very high	89.8	Confident	79 Å²	79	51.7 Å²	51.7	34%	0.343	28%	0.28	S	S	.	.			trans	-71.9	118.9	177.1	-173	-167.2	-175.9	-166.1	0	109.8	E394 F641 Y644	K392-E394 HydrophobicContact CD-CG 4.46Å; K392-E394 VanDerWaalsContact CE-OE1 3.22Å; K392-E394 WeakPolarHBondContact CE-OE1 3.47Å; K392-E394 IonicContact NZ-OE1 3.35Å; K392-E394 PolarHBondContact NZ-OE1 2.88Å; K392-F641 WeakPolarHBondContact CA-O 3.25Å; K392-F641 HydrophobicContact CG-CB 4.06Å; K392-F641 HydrophobicContact CG-CD2 4.49Å; K392-Y644 HydrophobicContact CD-CE2 4.42Å; K392-Y644 WeakPolarHBondContact CE-OH 3.35Å; K392-Y644 PolarHBondContact NZ-OH 3.45Å
393	L	95.1	Very high	90.3	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	25%	0.251	C	S	.	.			trans	-114.8	120.2	171.6	-175.5	78.1	0	0	0	109.6	V327 F330 C336 L374 N391 F641	V327-L393 HydrophobicContact CG1-CB 3.88Å; V327-L393 HydrophobicContact CG1-CD1 4.41Å; V327-L393 HydrophobicContact CG1-CD2 4.03Å; V327-L393 HydrophobicContact CG1-CG 4.33Å; V327-L393 HydrophobicContact CG2-CD2 4.1Å; F330-L393 HydrophobicContact CB-CD1 4.24Å; C336-L393 HydrophobicContact CB-CD1 4.22Å; L374-L393 HydrophobicContact CD1-CD2 4.17Å; L374-L393 HydrophobicContact CD2-CD2 3.9Å; N391-L393 PolarHBondContact O-N 3.38Å; L393-F641 PolarHBondContact N-O 2.83Å; L393-F641 WeakPolarHBondContact O-CB 3.43Å; L393-F641 WeakPolarHBondContact O-CD1 3.46Å; L393-F641 VanDerWaalsContact O-CG 3.29Å; L393-F641 WeakPolarHBondContact O-CG 3.28Å
394	E	96.1	Very high	91	Very high	54 Å²	54	45.2 Å²	45.2	25%	0.252	23%	0.23	S	C	.	.	B	Isolated β-bridge	trans	-89.8	130.5	-179.6	-53.3	-171.9	145.3	0	0	111.1	K331 D332 L333 K392 F641	K331-E394 WeakPolarHBondContact CE-OE2 3.42Å; K331-E394 IonicContact NZ-OE2 3.59Å; K331-E394 PolarHBondContact O-N 3.42Å; D332-E394 CarbonylContact C-O 3.59Å; D332-E394 WeakPolarHBondContact CA-O 3.43Å; D332-E394 HydrophobicContact CB-CB 4.26Å; D332-E394 WeakPolarHBondContact CB-O 3.37Å; L333-E394 PolarHBondContact N-O 2.85Å; K392-E394 HydrophobicContact CD-CG 4.46Å; K392-E394 VanDerWaalsContact CE-OE1 3.22Å; K392-E394 WeakPolarHBondContact CE-OE1 3.47Å; K392-E394 IonicContact NZ-OE1 3.35Å; K392-E394 PolarHBondContact NZ-OE1 2.88Å; E394-F641 HydrophobicContact CB-CD2 4.22Å; E394-F641 HydrophobicContact CB-CE2 3.76Å; E394-F641 HydrophobicContact CB-CZ 4.21Å; E394-F641 HydrophobicContact CG-CD2 3.9Å; E394-F641 HydrophobicContact CG-CE2 3.79Å
395	F	97.7	Very high	91.6	Very high	5 Å²	5	43.7 Å²	43.7	2%	0.022	21%	0.21	C	C	.	.			trans	-131.5	142.5	175.7	55.8	-101	0	0	0	111.9	L333 L593 V596 W633 L636 F641 A649 L652	L333-F395 HydrophobicContact CB-CB 3.95Å; L333-F395 HydrophobicContact CD2-CB 3.93Å; F395-L593 HydrophobicContact CD2-CD2 3.88Å; F395-L593 HydrophobicContact CE2-CD2 3.75Å; F395-V596 HydrophobicContact CE2-CG2 3.83Å; F395-V596 HydrophobicContact CZ-CG1 3.95Å; F395-V596 HydrophobicContact CZ-CG2 4.09Å; F395-W633 HydrophobicContact CD2-CH2 4.23Å; F395-W633 HydrophobicContact CE2-CH2 4.13Å; F395-W633 HydrophobicContact CE2-CZ3 4.41Å; F395-W633 WeakPolarHBondContact O-CH2 3.32Å; F395-L636 HydrophobicContact CE2-CD2 3.96Å; F395-L636 HydrophobicContact CZ-CD2 4.02Å; F395-F641 AromaticContact CD1-CD1 3.82Å; F395-F641 HydrophobicContact CD1-CD1 3.82Å; F395-F641 AromaticContact CD1-CE1 3.72Å; F395-F641 HydrophobicContact CD1-CE1 3.72Å; F395-F641 AromaticContact CD2-CE1 3.98Å; F395-F641 HydrophobicContact CD2-CE1 3.98Å; F395-F641 AromaticContact CE1-CD1 3.47Å; F395-F641 HydrophobicContact CE1-CD1 3.47Å; F395-F641 VanDerWaalsContact CE1-CD1 3.47Å; F395-F641 AromaticContact CE1-CE1 3.65Å; F395-F641 HydrophobicContact CE1-CE1 3.65Å; F395-F641 HydrophobicContact CE2-CD1 4.43Å; F395-F641 AromaticContact CE2-CE1 3.88Å; F395-F641 HydrophobicContact CE2-CE1 3.88Å; F395-F641 HydrophobicContact CG-CD1 4.45Å; F395-F641 AromaticContact CG-CE1 3.89Å; F395-F641 HydrophobicContact CG-CE1 3.89Å; F395-F641 AromaticContact CZ-CD1 3.81Å; F395-F641 HydrophobicContact CZ-CD1 3.81Å; F395-F641 AromaticContact CZ-CE1 3.73Å; F395-F641 HydrophobicContact CZ-CE1 3.73Å; F395-A649 HydrophobicContact CE1-CB 4.05Å; F395-A649 HydrophobicContact CZ-CB 4.4Å; F395-L652 HydrophobicContact CB-CD1 3.81Å; F395-L652 HydrophobicContact CD1-CD1 3.91Å; F395-L652 HydrophobicContact CD1-CD2 3.95Å; F395-L652 HydrophobicContact CD2-CD1 4.16Å; F395-L652 HydrophobicContact CD2-CD2 4.02Å; F395-L652 HydrophobicContact CE1-CD2 3.73Å; F395-L652 HydrophobicContact CE2-CD2 3.84Å; F395-L652 HydrophobicContact CG-CD1 3.69Å; F395-L652 HydrophobicContact CG-CD2 4.09Å; F395-L652 HydrophobicContact CZ-CD2 3.68Å
396	P	97.3	Very high	92.4	Very high	42 Å²	42	41.2 Å²	41.2	27%	0.273	20%	0.203	S	C	.	.			trans	-86	155.8	-172.2	35	-37.1	0	0	0	113.3	V398 L399 Y654	P396-V398 WeakPolarHBondContact CB-O 3.46Å; P396-V398 PolarHBondContact O-N 3.48Å; P396-L399 HydrophobicContact CG-CB 4.23Å; P396-L399 HydrophobicContact CG-CD1 3.93Å; P396-Y654 PolarHBondContact O-OH 3.41Å; P396-Y654 VanDerWaalsContact O-OH 3.09Å
397	Q	96.7	Very high	93.2	Very high	81 Å²	81	43.9 Å²	43.9	38%	0.379	20%	0.202	S	C	.	.	S	Bend	trans	-65.9	-27.1	169	-66.2	-174.2	30.5	0	0	113	R592 L593 W633	Q397-R592 WeakPolarHBondContact O-CA 3.42Å; Q397-L593 PolarHBondContact O-N 3.1Å; Q397-W633 HydrophobicContact CG-CD2 3.72Å; Q397-W633 HydrophobicContact CG-CE3 3.61Å; Q397-W633 HydrophobicContact CG-CH2 3.67Å; Q397-W633 HydrophobicContact CG-CZ2 3.76Å; Q397-W633 HydrophobicContact CG-CZ3 3.6Å
398	V	97.3	Very high	93.8	Very high	41 Å²	41	41.2 Å²	41.2	25%	0.248	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	119.6	174.7	-179	0	0	0	0	108.8	P396 Y400 P590 Y591 R592	P396-V398 WeakPolarHBondContact CB-O 3.46Å; P396-V398 PolarHBondContact O-N 3.48Å; V398-Y400 HydrophobicContact CG1-CE2 3.99Å; V398-P590 HydrophobicContact CG1-CB 3.94Å; V398-Y591 CarbonylContact C-O 3.49Å; V398-Y591 VanDerWaalsContact CA-O 3.32Å; V398-Y591 WeakPolarHBondContact CA-O 3.39Å; V398-R592 HydrophobicContact CG2-CB 4.48Å; V398-R592 HydrophobicContact CG2-CG 4.41Å
399	L	97.9	Very high	94.2	Very high	0 Å²	0	43 Å²	43	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	130	178.8	-174.1	66	0	0	0	109.4	L333 H334 F372 P396 L401 Y591 Y654	L333-L399 HydrophobicContact CD2-CD1 4.31Å; L333-L399 HydrophobicContact CD2-CD2 4.08Å; H334-L399 VanDerWaalsContact CE1-CD1 3.46Å; H334-L399 WeakPolarHBondContact CE1-CD1 3.23Å; F372-L399 HydrophobicContact CE2-CD2 3.64Å; F372-L399 HydrophobicContact CZ-CD2 3.99Å; P396-L399 HydrophobicContact CG-CB 4.23Å; P396-L399 HydrophobicContact CG-CD1 3.93Å; L399-L401 HydrophobicContact CD2-CD2 3.65Å; L399-L401 HydrophobicContact CD2-CG 4.3Å; L399-L401 HydrophobicContact CG-CD2 3.96Å; L399-L401 HydrophobicContact CG-CG 4.32Å; L399-Y591 PolarHBondContact N-O 3.06Å; L399-Y591 PolarHBondContact O-N 3.38Å; L399-Y654 HydrophobicContact CB-CD1 4.03Å; L399-Y654 HydrophobicContact CB-CE1 3.62Å; L399-Y654 HydrophobicContact CD2-CE1 4.42Å; L399-Y654 HydrophobicContact CD2-CE2 4.3Å
400	Y	97.6	Very high	94.6	Very high	88 Å²	88	47 Å²	47	35%	0.345	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	108.1	175.4	-70.2	-82.2	0	0	0	110	H334 V398 D402 I587 P590	H334-Y400 PolarHBondContact CE1-O 3.02Å; V398-Y400 HydrophobicContact CG1-CE2 3.99Å; Y400-D402 VanDerWaalsContact C-N 3.33Å; Y400-I587 VanDerWaalsContact CD1-CA 3.45Å; Y400-I587 HydrophobicContact CD1-CB 3.79Å; Y400-I587 HydrophobicContact CD1-CG2 4.17Å; Y400-I587 HydrophobicContact CD2-CG2 4.39Å; Y400-I587 HydrophobicContact CE1-CB 3.75Å; Y400-I587 HydrophobicContact CE1-CG2 4.33Å; Y400-I587 HydrophobicContact CG-CB 4.31Å; Y400-I587 HydrophobicContact CG-CG2 4.18Å; Y400-P590 HydrophobicContact CD1-CB 4.1Å; Y400-P590 HydrophobicContact CE1-CB 3.66Å; Y400-P590 HydrophobicContact CE1-CG 4.32Å
401	L	97	Very high	95.2	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	22%	0.216	C	C	.	.			trans	-87	-2.3	-172	-67.2	169.6	0	0	0	113.8	L337 L366 L370 F372 L399 R403 Y404 V589 Y591	L337-L401 HydrophobicContact CD1-CD2 4.28Å; L366-L401 HydrophobicContact CD1-CB 3.94Å; L366-L401 HydrophobicContact CD1-CD1 3.59Å; L366-L401 HydrophobicContact CD1-CG 4.42Å; L366-L401 HydrophobicContact CD2-CD1 4.18Å; L370-L401 HydrophobicContact CD2-CD1 3.39Å; L370-L401 HydrophobicContact CD2-CD2 4.28Å; L370-L401 HydrophobicContact CD2-CG 4.48Å; F372-L401 HydrophobicContact CZ-CD2 4.45Å; L399-L401 HydrophobicContact CD2-CD2 3.65Å; L399-L401 HydrophobicContact CD2-CG 4.3Å; L399-L401 HydrophobicContact CG-CD2 3.96Å; L399-L401 HydrophobicContact CG-CG 4.32Å; L401-R403 PolarHBondContact O-N 3.09Å; L401-R403 VanDerWaalsContact O-N 3.1Å; L401-Y404 HydrophobicContact CD2-CD2 3.91Å; L401-Y404 HydrophobicContact CD2-CE2 4.31Å; L401-Y404 PolarHBondContact O-N 3.17Å; L401-V589 HydrophobicContact CB-CG1 4.23Å; L401-V589 PolarHBondContact N-O 3.49Å; L401-Y591 HydrophobicContact CD1-CD1 4.26Å; L401-Y591 HydrophobicContact CD1-CD2 3.57Å; L401-Y591 HydrophobicContact CD1-CE2 3.87Å; L401-Y591 HydrophobicContact CD1-CG 3.79Å; L401-Y591 HydrophobicContact CG-CD2 4.42Å
402	D	96.1	Very high	95.6	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-50.8	-39.1	-174.6	-60.2	-89	0	0	0	114	Y400 Y404 M405 R407 N408 M586 Q588 V589	Y400-D402 VanDerWaalsContact C-N 3.33Å; D402-Y404 PolarHBondContact O-N 3.45Å; D402-M405 PolarHBondContact O-N 2.74Å; D402-R407 IonicContact OD1-CZ 3.23Å; D402-R407 IonicContact OD1-NH2 2.8Å; D402-R407 PolarHBondContact OD1-NH2 2.88Å; D402-N408 WeakPolarHBondContact O-CB 3.39Å; D402-N408 VanDerWaalsContact O-CG 3.27Å; D402-N408 PolarHBondContact O-OD1 2.93Å; D402-M586 WeakPolarHBondContact CB-O 3.25Å; D402-M586 HydrophobicContact CB-SD 4.27Å; D402-Q588 VanDerWaalsContact OD1-C 3.22Å; D402-Q588 VanDerWaalsContact OD1-CA 3.26Å; D402-Q588 WeakPolarHBondContact OD1-CA 3.35Å; D402-Q588 VanDerWaalsContact OD1-CB 3.25Å; D402-Q588 WeakPolarHBondContact OD1-CB 3.47Å; D402-Q588 PolarHBondContact OD1-N 3.18Å; D402-Q588 PolarHBondContact OD2-N 3.37Å; D402-V589 WeakPolarHBondContact OD1-CG2 3.4Å; D402-V589 PolarHBondContact OD1-N 3.44Å; D402-V589 PolarHBondContact OD2-N 2.96Å
403	R	95.6	Very high	95.6	Very high	42 Å²	42	44.1 Å²	44.1	16%	0.158	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-63.6	-28.3	179.9	74.5	177.4	81.5	171.8	5.1	113.2	H334 L401 T412 Y581 M586	H334-R403 PolarHBondContact CD2-NH2 3.23Å; H334-R403 PolarHBondContact CE1-NH2 3Å; H334-R403 PolarHBondContact NE2-NH2 3.23Å; L401-R403 PolarHBondContact O-N 3.09Å; L401-R403 VanDerWaalsContact O-N 3.1Å; R403-T412 HydrophobicContact CB-CG2 4.38Å; R403-T412 WeakPolarHBondContact O-CB 3.47Å; R403-T412 VanDerWaalsContact O-CG2 3.23Å; R403-T412 WeakPolarHBondContact O-CG2 3.44Å; R403-T412 PolarHBondContact O-OG1 3.18Å; R403-Y581 HydrophobicContact CB-CD1 3.71Å; R403-Y581 HydrophobicContact CB-CE1 3.64Å; R403-Y581 HydrophobicContact CB-CG 4.48Å; R403-Y581 VanDerWaalsContact CZ-CD2 3.46Å; R403-M586 HydrophobicContact CB-SD 4.34Å
404	Y	96.3	Very high	95.5	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-91.6	-6.4	-177.8	-51.1	-67.8	0	0	0	113.2	H334 L337 E338 M341 F363 L401 D402	H334-Y404 WeakPolarHBondContact CA-OH 3.45Å; H334-Y404 AromaticContact ND1-CE2 3.63Å; H334-Y404 AromaticContact ND1-CZ 3.67Å; H334-Y404 PolarHBondContact ND1-OH 3.5Å; H334-Y404 PolarHBondContact O-OH 2.98Å; L337-Y404 HydrophobicContact CD1-CD2 4.3Å; L337-Y404 HydrophobicContact CD1-CE2 3.91Å; L337-Y404 HydrophobicContact CD2-CD1 3.81Å; L337-Y404 HydrophobicContact CD2-CD2 4.21Å; L337-Y404 HydrophobicContact CD2-CE1 3.76Å; L337-Y404 HydrophobicContact CD2-CE2 4.17Å; L337-Y404 HydrophobicContact CD2-CG 4.04Å; E338-Y404 HydrophobicContact CB-CE1 4.4Å; E338-Y404 VanDerWaalsContact OE2-CE1 3.25Å; E338-Y404 WeakPolarHBondContact OE2-CE1 3.47Å; M341-Y404 HydrophobicContact SD-CD1 3.61Å; M341-Y404 HydrophobicContact SD-CG 4.04Å; F363-Y404 PolarHBondContact N-O 3.11Å; L401-Y404 HydrophobicContact CD2-CD2 3.91Å; L401-Y404 HydrophobicContact CD2-CE2 4.31Å; L401-Y404 PolarHBondContact O-N 3.17Å; D402-Y404 PolarHBondContact O-N 3.45Å
405	M	95.5	Very high	95.4	Very high	18 Å²	18	48.3 Å²	48.3	9%	0.089	22%	0.219	C	C	.	.	B	Isolated β-bridge	trans	-76.3	134.8	179.9	-62	-59.4	-61.3	0	0	111.4	F363 L366 D402 R407 N408 R409	F363-M405 HydrophobicContact CB-CE 4.44Å; F363-M405 HydrophobicContact CB-SD 3.78Å; F363-M405 WeakPolarHBondContact O-CA 3.49Å; L366-M405 HydrophobicContact CD1-CE 4.42Å; L366-M405 HydrophobicContact CD1-SD 3.48Å; L366-M405 WeakPolarHBondContact CD1-SD 3.31Å; L366-M405 HydrophobicContact CG-CE 4.47Å; L366-M405 HydrophobicContact CG-SD 3.87Å; D402-M405 PolarHBondContact O-N 2.74Å; M405-R407 HydrophobicContact CB-CG 3.96Å; M405-R407 PolarHBondContact O-N 3.44Å; M405-R407 VanDerWaalsContact O-N 3.09Å; M405-N408 PolarHBondContact O-N 2.82Å; M405-R409 PolarHBondContact O-N 2.88Å
406	H	94.9	Very high	95.2	Very high	62 Å²	62	49.8 Å²	49.8	29%	0.287	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-52.5	-36.7	177.6	176.7	-107	0	0	0	113.2	W362 F363 T364 N408 R409	W362-H406 HydrophobicContact CB-CB 3.85Å; F363-H406 PolarHBondContact O-N 2.71Å; T364-H406 HydrophobicContact CG2-CB 4Å; H406-N408 PolarHBondContact O-N 3.32Å; H406-R409 PolarHBondContact NE2-NH2 2.81Å; H406-R409 VanDerWaalsContact NE2-NH2 3.12Å; H406-R409 WeakPolarHBondContact O-CB 3.39Å; H406-R409 PolarHBondContact O-N 3.25Å; H406-R409 VanDerWaalsContact O-N 3.11Å
407	R	94.7	Very high	94.9	Very high	143 Å²	143	52.1 Å²	52.1	54%	0.54	23%	0.232	S	C	.	.	G	3₁₀ helix	trans	-60.5	-22.9	176.7	80.4	-166.8	-172.3	-163.4	-4.9	113.9	D402 M405	D402-R407 IonicContact OD1-CZ 3.23Å; D402-R407 IonicContact OD1-NH2 2.8Å; D402-R407 PolarHBondContact OD1-NH2 2.88Å; M405-R407 HydrophobicContact CB-CG 3.96Å; M405-R407 PolarHBondContact O-N 3.44Å; M405-R407 VanDerWaalsContact O-N 3.09Å
408	N	94.9	Very high	94.8	Very high	13 Å²	13	52.5 Å²	52.5	7%	0.07	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-101.9	-6.5	-180	-78.4	84.8	0	0	0	112.4	D402 M405 H406 E410 I411 T412 M586	D402-N408 WeakPolarHBondContact O-CB 3.39Å; D402-N408 VanDerWaalsContact O-CG 3.27Å; D402-N408 PolarHBondContact O-OD1 2.93Å; M405-N408 PolarHBondContact O-N 2.82Å; H406-N408 PolarHBondContact O-N 3.32Å; N408-E410 VanDerWaalsContact C-N 3.31Å; N408-E410 PolarHBondContact O-N 3.3Å; N408-I411 PolarHBondContact O-N 3.31Å; N408-T412 PolarHBondContact O-N 3.3Å; N408-T412 PolarHBondContact O-OG1 3.15Å; N408-M586 HydrophobicContact CB-CE 4.24Å; N408-M586 HydrophobicContact CB-SD 4.42Å; N408-M586 PolarHBondContact ND2-SD 2.95Å; N408-M586 VanDerWaalsContact ND2-SD 3.42Å
409	R	93.5	Very high	94.6	Very high	54 Å²	54	51.8 Å²	51.8	20%	0.204	23%	0.228	C	C	.	.	H	α-helix	trans	-39.8	-50.2	-170.5	170.9	166.4	72.1	177.8	-4.5	114.9	W362 M405 H406 T412 R413	W362-R409 HydrophobicContact CD2-CB 4.02Å; W362-R409 HydrophobicContact CD2-CG 4.01Å; W362-R409 HydrophobicContact CE3-CB 4Å; W362-R409 HydrophobicContact CE3-CG 4.36Å; W362-R409 HydrophobicContact CH2-CB 4.24Å; W362-R409 HydrophobicContact CH2-CG 4Å; W362-R409 HydrophobicContact CZ2-CB 4.24Å; W362-R409 HydrophobicContact CZ2-CG 3.6Å; W362-R409 HydrophobicContact CZ3-CB 4.12Å; W362-R409 HydrophobicContact CZ3-CG 4.36Å; M405-R409 PolarHBondContact O-N 2.88Å; H406-R409 PolarHBondContact NE2-NH2 2.81Å; H406-R409 VanDerWaalsContact NE2-NH2 3.12Å; H406-R409 WeakPolarHBondContact O-CB 3.39Å; H406-R409 PolarHBondContact O-N 3.25Å; H406-R409 VanDerWaalsContact O-N 3.11Å; R409-T412 PolarHBondContact O-N 3.37Å; R409-R413 WeakPolarHBondContact O-CB 3.21Å; R409-R413 WeakPolarHBondContact O-CG 3.3Å; R409-R413 PolarHBondContact O-N 3.02Å
410	E	92.4	Very high	94.3	Very high	112 Å²	112	55.9 Å²	55.9	52%	0.523	25%	0.246	S	C	.	.	H	α-helix	trans	-67.4	-40.3	-175.1	-163.7	62.8	-168.4	0	0	112.3	N408 R413 I414	N408-E410 VanDerWaalsContact C-N 3.31Å; N408-E410 PolarHBondContact O-N 3.3Å; E410-R413 PolarHBondContact O-N 3.37Å; E410-R413 IonicContact OE2-NH1 3.24Å; E410-I414 HydrophobicContact CG-CD1 4.49Å; E410-I414 WeakPolarHBondContact O-CG1 3.21Å; E410-I414 PolarHBondContact O-N 2.95Å; E410-I414 VanDerWaalsContact O-N 3.13Å
411	I	94.4	Very high	94.2	Very high	81 Å²	81	58.8 Å²	58.8	42%	0.415	26%	0.256	S	S	.	.	H	α-helix	trans	-68.8	-40.7	177	-52.1	175	0	0	0	109.8	N408 I414 K415 M586	N408-I411 PolarHBondContact O-N 3.31Å; I411-I414 PolarHBondContact O-N 3.1Å; I411-K415 HydrophobicContact CG2-CD 4.23Å; I411-K415 WeakPolarHBondContact O-CG 3.43Å; I411-K415 PolarHBondContact O-N 2.78Å; I411-M586 HydrophobicContact CB-CE 3.76Å; I411-M586 HydrophobicContact CG2-CE 3.51Å
412	T	93.9	Very high	94.1	Very high	0 Å²	0	60 Å²	60	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-62.4	-45.4	175.3	-56.5	0	0	0	0	111.5	W362 R403 N408 R409 I414 K415 R416 Y581	W362-T412 HydrophobicContact CH2-CG2 3.89Å; W362-T412 HydrophobicContact CZ3-CG2 3.87Å; R403-T412 HydrophobicContact CB-CG2 4.38Å; R403-T412 WeakPolarHBondContact O-CB 3.47Å; R403-T412 VanDerWaalsContact O-CG2 3.23Å; R403-T412 WeakPolarHBondContact O-CG2 3.44Å; R403-T412 PolarHBondContact O-OG1 3.18Å; N408-T412 PolarHBondContact O-N 3.3Å; N408-T412 PolarHBondContact O-OG1 3.15Å; R409-T412 PolarHBondContact O-N 3.37Å; T412-I414 PolarHBondContact O-N 2.89Å; T412-K415 CarbonylContact O-C 3.54Å; T412-K415 PolarHBondContact O-N 2.92Å; T412-R416 HydrophobicContact CG2-CG 4.25Å; T412-R416 WeakPolarHBondContact O-CB 3.19Å; T412-R416 WeakPolarHBondContact O-CG 3.34Å; T412-R416 PolarHBondContact O-N 2.93Å; T412-Y581 HydrophobicContact CG2-CE1 4.27Å
413	R	92.1	Very high	94	Very high	91 Å²	91	64.2 Å²	64.2	34%	0.343	28%	0.281	S	S	.	.	H	α-helix	trans	-58	-44.5	176.2	-78.9	169	163.9	-173.8	-8.3	112.7	E360 W362 R409 E410 R416 E417	E360-R413 IonicContact OE1-CZ 3.98Å; E360-R413 IonicContact OE1-NE 3Å; E360-R413 IonicContact OE1-NH2 2.7Å; E360-R413 PolarHBondContact OE1-NH2 2.8Å; E360-R413 IonicContact OE2-CZ 2.7Å; E360-R413 IonicContact OE2-NE 3.24Å; E360-R413 PolarHBondContact OE2-NE 2.69Å; E360-R413 IonicContact OE2-NH2 2.98Å; E360-R413 PolarHBondContact OE2-NH2 3.13Å; W362-R413 HydrophobicContact CH2-CG 4.33Å; W362-R413 HydrophobicContact CZ2-CG 4.21Å; R409-R413 WeakPolarHBondContact O-CB 3.21Å; R409-R413 WeakPolarHBondContact O-CG 3.3Å; R409-R413 PolarHBondContact O-N 3.02Å; E410-R413 PolarHBondContact O-N 3.37Å; E410-R413 IonicContact OE2-NH1 3.24Å; R413-R416 PolarHBondContact O-N 3.4Å; R413-E417 PolarHBondContact O-N 3.17Å
414	I	93.8	Very high	93.9	Very high	109 Å²	109	66.5 Å²	66.5	56%	0.559	30%	0.296	S	S	*	.	H	α-helix	trans	-63.2	-42.7	176.5	-66.3	164.7	0	0	0	110.9	E410 I411 T412 E418	E410-I414 HydrophobicContact CG-CD1 4.49Å; E410-I414 WeakPolarHBondContact O-CG1 3.21Å; E410-I414 PolarHBondContact O-N 2.95Å; E410-I414 VanDerWaalsContact O-N 3.13Å; I411-I414 PolarHBondContact O-N 3.1Å; T412-I414 PolarHBondContact O-N 2.89Å; I414-E418 PolarHBondContact O-N 3Å; I414-E418 VanDerWaalsContact O-N 3.14Å
415	K	94.6	Very high	93.9	Very high	33 Å²	33	72.8 Å²	72.8	14%	0.143	32%	0.321	C	S	.	.	H	α-helix	trans	-66.7	-37	175.4	-71.1	172.7	-174.9	-82	0	112.7	I411 T412 E418 I419 M580 Y581 D583 M586	I411-K415 HydrophobicContact CG2-CD 4.23Å; I411-K415 WeakPolarHBondContact O-CG 3.43Å; I411-K415 PolarHBondContact O-N 2.78Å; T412-K415 CarbonylContact O-C 3.54Å; T412-K415 PolarHBondContact O-N 2.92Å; K415-E418 PolarHBondContact O-N 3.22Å; K415-I419 WeakPolarHBondContact O-CB 3.46Å; K415-I419 VanDerWaalsContact O-CG1 3.24Å; K415-I419 WeakPolarHBondContact O-CG1 3.38Å; K415-I419 PolarHBondContact O-N 3.14Å; K415-M580 HydrophobicContact CB-CG 4.01Å; K415-M580 HydrophobicContact CB-SD 4.39Å; K415-M580 HydrophobicContact CD-CG 4.35Å; K415-M580 HydrophobicContact CG-CG 4.08Å; K415-M580 HydrophobicContact CG-SD 4.07Å; K415-M580 PolarHBondContact NZ-O 3.21Å; K415-Y581 HydrophobicContact CB-CE1 3.93Å; K415-Y581 HydrophobicContact CD-CD1 3.66Å; K415-Y581 HydrophobicContact CD-CE1 3.49Å; K415-Y581 VanDerWaalsContact CD-CE1 3.49Å; K415-Y581 HydrophobicContact CG-CE1 4.37Å; K415-D583 WeakPolarHBondContact CE-OD1 3.38Å; K415-D583 IonicContact NZ-OD1 2.85Å; K415-D583 PolarHBondContact NZ-OD1 3.44Å; K415-M586 HydrophobicContact CD-CE 4.18Å
416	R	92.3	Very high	93.9	Very high	35 Å²	35	72.6 Å²	72.6	13%	0.132	32%	0.32	C	S	.	.	H	α-helix	trans	-61.6	-47.3	175.1	-79.1	177.2	179.1	171.3	0.8	111.7	E338 T412 R413 I419 K420	E338-R416 VanDerWaalsContact OE1-CG 3.24Å; E338-R416 WeakPolarHBondContact OE1-CG 3.35Å; E338-R416 IonicContact OE1-CZ 2.86Å; E338-R416 IonicContact OE1-NE 3.63Å; E338-R416 PolarHBondContact OE1-NE 3.45Å; E338-R416 IonicContact OE1-NH2 2.68Å; E338-R416 IonicContact OE2-CZ 2.71Å; E338-R416 IonicContact OE2-NE 3.96Å; E338-R416 PolarHBondContact OE2-NE 2.89Å; E338-R416 IonicContact OE2-NH2 3.24Å; E338-R416 PolarHBondContact OE2-NH2 2.89Å; T412-R416 HydrophobicContact CG2-CG 4.25Å; T412-R416 WeakPolarHBondContact O-CB 3.19Å; T412-R416 WeakPolarHBondContact O-CG 3.34Å; T412-R416 PolarHBondContact O-N 2.93Å; R413-R416 PolarHBondContact O-N 3.4Å; R416-I419 PolarHBondContact O-N 2.85Å; R416-K420 PolarHBondContact O-N 2.84Å
417	E	91.1	Very high	93.9	Very high	92 Å²	92	72.4 Å²	72.4	43%	0.43	32%	0.323	S	S	.	.	H	α-helix	trans	-61.4	-44.6	176.3	178.8	61.4	-158.9	0	0	111.4	R413 K420 R421	R413-E417 PolarHBondContact O-N 3.17Å; E417-K420 WeakPolarHBondContact O-CB 3.49Å; E417-K420 PolarHBondContact O-N 3.37Å; E417-R421 WeakPolarHBondContact O-CG 3.49Å; E417-R421 PolarHBondContact O-N 2.55Å
418	E	94.2	Very high	94	Very high	88 Å²	88	69.2 Å²	69.2	41%	0.411	32%	0.319	S	S	.	.	H	α-helix	trans	-66.3	-39.3	176.9	-172.2	62.4	-171	0	0	112.2	I414 K415 K420 R421 L422 M580	I414-E418 PolarHBondContact O-N 3Å; I414-E418 VanDerWaalsContact O-N 3.14Å; K415-E418 PolarHBondContact O-N 3.22Å; E418-K420 VanDerWaalsContact C-N 3.32Å; E418-K420 PolarHBondContact O-N 2.92Å; E418-R421 PolarHBondContact O-N 2.69Å; E418-L422 HydrophobicContact CG-CD1 4.12Å; E418-L422 HydrophobicContact CG-CG 4.48Å; E418-L422 WeakPolarHBondContact O-CB 3.47Å; E418-L422 VanDerWaalsContact O-CG 3.24Å; E418-L422 WeakPolarHBondContact O-CG 3.39Å; E418-L422 PolarHBondContact O-N 2.83Å; E418-M580 HydrophobicContact CB-CE 4.44Å; E418-M580 HydrophobicContact CG-CE 3.98Å
419	I	93.4	Very high	94.1	Very high	26 Å²	26	68.8 Å²	68.8	13%	0.133	32%	0.317	C	S	.	.	H	α-helix	trans	-61	-40.4	172.1	-71.9	166.2	0	0	0	111.2	K415 R416 L422 K423 I577 M580 Y581	K415-I419 WeakPolarHBondContact O-CB 3.46Å; K415-I419 VanDerWaalsContact O-CG1 3.24Å; K415-I419 WeakPolarHBondContact O-CG1 3.38Å; K415-I419 PolarHBondContact O-N 3.14Å; R416-I419 PolarHBondContact O-N 2.85Å; I419-L422 PolarHBondContact O-N 3.42Å; I419-K423 HydrophobicContact CG2-CD 4.44Å; I419-K423 HydrophobicContact CG2-CG 4.38Å; I419-K423 WeakPolarHBondContact O-CB 3.49Å; I419-K423 PolarHBondContact O-N 2.67Å; I419-I577 HydrophobicContact CG1-CG2 4.4Å; I419-I577 HydrophobicContact CG2-CG2 4.19Å; I419-M580 HydrophobicContact CD1-CB 4.1Å; I419-M580 HydrophobicContact CD1-CG 3.78Å; I419-M580 HydrophobicContact CG1-CB 4.31Å; I419-M580 HydrophobicContact CG1-CE 4.35Å; I419-M580 HydrophobicContact CG1-CG 3.9Å; I419-Y581 HydrophobicContact CD1-CD2 4.3Å; I419-Y581 HydrophobicContact CD1-CE2 3.52Å
420	K	91.8	Very high	94.2	Very high	86 Å²	86	70.1 Å²	70.1	37%	0.374	33%	0.326	S	S	.	.	H	α-helix	trans	-59.5	-53.1	175.4	-175.1	178.6	-178.6	174.6	0	110.4	E347 R416 E417 E418 L422 K423 D424	E347-K420 IonicContact OE1-NZ 2.64Å; E347-K420 PolarHBondContact OE1-NZ 3Å; R416-K420 PolarHBondContact O-N 2.84Å; E417-K420 WeakPolarHBondContact O-CB 3.49Å; E417-K420 PolarHBondContact O-N 3.37Å; E418-K420 VanDerWaalsContact C-N 3.32Å; E418-K420 PolarHBondContact O-N 2.92Å; K420-L422 VanDerWaalsContact C-N 3.27Å; K420-L422 PolarHBondContact O-N 3.47Å; K420-K423 PolarHBondContact O-N 2.98Å; K420-K423 VanDerWaalsContact O-N 3.12Å; K420-D424 VanDerWaalsContact O-CG 3.27Å; K420-D424 PolarHBondContact O-N 3.25Å
421	R	95.5	Very high	94.4	Very high	150 Å²	150	70.2 Å²	70.2	57%	0.566	33%	0.326	S	S	*	.	H	α-helix	trans	-58	-37.5	177.5	-64.9	175.4	70	76.6	8.9	112.8	E417 E418 Y425	E417-R421 WeakPolarHBondContact O-CG 3.49Å; E417-R421 PolarHBondContact O-N 2.55Å; E418-R421 PolarHBondContact O-N 2.69Å; R421-Y425 WeakPolarHBondContact O-CB 3.46Å; R421-Y425 PolarHBondContact O-N 3.08Å
422	L	95.9	Very high	94.5	Very high	26 Å²	26	71.4 Å²	71.4	14%	0.136	33%	0.325	C	S	.	.	H	α-helix	trans	-71.4	-40.7	175.5	-71.5	171.4	0	0	0	112.5	E418 I419 K420 Y425 L426 I573 T576 I577 M580	E418-L422 HydrophobicContact CG-CD1 4.12Å; E418-L422 HydrophobicContact CG-CG 4.48Å; E418-L422 WeakPolarHBondContact O-CB 3.47Å; E418-L422 VanDerWaalsContact O-CG 3.24Å; E418-L422 WeakPolarHBondContact O-CG 3.39Å; E418-L422 PolarHBondContact O-N 2.83Å; I419-L422 PolarHBondContact O-N 3.42Å; K420-L422 VanDerWaalsContact C-N 3.27Å; K420-L422 PolarHBondContact O-N 3.47Å; L422-Y425 PolarHBondContact O-N 2.71Å; L422-L426 WeakPolarHBondContact O-CB 3.34Å; L422-L426 PolarHBondContact O-N 3.41Å; L422-I573 HydrophobicContact CB-CG2 4.13Å; L422-I573 HydrophobicContact CD2-CG2 4.3Å; L422-T576 HydrophobicContact CD1-CG2 4.06Å; L422-I577 HydrophobicContact CB-CD1 3.99Å; L422-I577 HydrophobicContact CB-CG1 4.02Å; L422-I577 HydrophobicContact CD1-CG1 4.15Å; L422-M580 HydrophobicContact CD1-CE 3.89Å
423	K	93.3	Very high	94.6	Very high	87 Å²	87	72.4 Å²	72.4	38%	0.378	33%	0.331	S	S	.	.	H	α-helix	trans	-64.3	-39.5	173.1	-80.2	-168.2	171.7	-169	0	111.4	E335 I419 K420 L426 T427 I577	E335-K423 IonicContact OE1-NZ 3.74Å; E335-K423 PolarHBondContact OE1-NZ 2.84Å; I419-K423 HydrophobicContact CG2-CD 4.44Å; I419-K423 HydrophobicContact CG2-CG 4.38Å; I419-K423 WeakPolarHBondContact O-CB 3.49Å; I419-K423 PolarHBondContact O-N 2.67Å; K420-K423 PolarHBondContact O-N 2.98Å; K420-K423 VanDerWaalsContact O-N 3.12Å; K423-L426 WeakPolarHBondContact O-CB 3.41Å; K423-T427 PolarHBondContact O-N 3.16Å; K423-T427 PolarHBondContact O-OG1 3.47Å; K423-I577 HydrophobicContact CG-CD1 4.16Å
424	D	94.3	Very high	94.8	Very high	91 Å²	91	72.8 Å²	72.8	49%	0.487	34%	0.336	S	S	.	.	H	α-helix	trans	-63.5	-47.1	175.4	-67.2	-24.3	0	0	0	111.3	K420 T427 V428	K420-D424 VanDerWaalsContact O-CG 3.27Å; K420-D424 PolarHBondContact O-N 3.25Å; D424-T427 WeakPolarHBondContact O-CB 3.49Å; D424-T427 PolarHBondContact O-N 3.48Å; D424-V428 PolarHBondContact O-N 2.82Å
425	Y	95.6	Very high	94.9	Very high	132 Å²	132	76 Å²	76	52%	0.518	34%	0.341	S	S	.	.	H	α-helix	trans	-67.9	-40.1	178.3	-175	-116.2	0	0	0	112.8	R421 L422 T427 V428 L429 I573	R421-Y425 WeakPolarHBondContact O-CB 3.46Å; R421-Y425 PolarHBondContact O-N 3.08Å; L422-Y425 PolarHBondContact O-N 2.71Å; Y425-T427 VanDerWaalsContact C-N 3.3Å; Y425-T427 PolarHBondContact O-N 2.83Å; Y425-V428 WeakPolarHBondContact O-CB 3.42Å; Y425-V428 PolarHBondContact O-N 2.75Å; Y425-V428 VanDerWaalsContact O-N 3.14Å; Y425-L429 HydrophobicContact CD1-CD1 4.4Å; Y425-L429 HydrophobicContact CE1-CD1 3.92Å; Y425-L429 HydrophobicContact CE1-CD2 4.4Å; Y425-L429 HydrophobicContact CE1-CG 4.21Å; Y425-L429 HydrophobicContact CE2-CD2 4.41Å; Y425-L429 PolarHBondContact O-N 3.15Å; Y425-I573 HydrophobicContact CD1-CD1 3.64Å; Y425-I573 HydrophobicContact CE1-CD1 3.93Å
426	L	95.8	Very high	94.9	Very high	14 Å²	14	76.3 Å²	76.3	7%	0.073	34%	0.342	C	S	.	.	H	α-helix	trans	-53.7	-46.3	171.2	171.9	66.7	0	0	0	111.5	L422 K423 V428 L429 Q430 I570 I573	L422-L426 WeakPolarHBondContact O-CB 3.34Å; L422-L426 PolarHBondContact O-N 3.41Å; K423-L426 WeakPolarHBondContact O-CB 3.41Å; L426-V428 VanDerWaalsContact C-N 3.29Å; L426-V428 PolarHBondContact O-N 3.06Å; L426-L429 PolarHBondContact O-N 3.38Å; L426-L429 VanDerWaalsContact O-N 3.08Å; L426-Q430 HydrophobicContact CD1-CG 4.3Å; L426-Q430 WeakPolarHBondContact O-CG 3.25Å; L426-Q430 PolarHBondContact O-N 2.9Å; L426-I570 HydrophobicContact CD1-CB 4.25Å; L426-I570 HydrophobicContact CD1-CG1 4.13Å; L426-I570 HydrophobicContact CD1-CG2 3.85Å; L426-I573 HydrophobicContact CB-CG2 4.09Å; L426-I573 HydrophobicContact CD1-CG2 4.47Å
427	T	95.1	Very high	95.1	Very high	58 Å²	58	77.9 Å²	77.9	36%	0.356	35%	0.353	S	S	.	.	H	α-helix	trans	-59.5	-40.2	177.9	-56.7	0	0	0	0	111.4	K423 D424 Y425 Q430 Q431	K423-T427 PolarHBondContact O-N 3.16Å; K423-T427 PolarHBondContact O-OG1 3.47Å; D424-T427 WeakPolarHBondContact O-CB 3.49Å; D424-T427 PolarHBondContact O-N 3.48Å; Y425-T427 VanDerWaalsContact C-N 3.3Å; Y425-T427 PolarHBondContact O-N 2.83Å; T427-Q430 PolarHBondContact O-N 3.38Å; T427-Q431 WeakPolarHBondContact O-CB 3.35Å; T427-Q431 VanDerWaalsContact O-CG 3.29Å; T427-Q431 WeakPolarHBondContact O-CG 3.08Å; T427-Q431 PolarHBondContact O-N 3.15Å
428	V	97	Very high	95.3	Very high	75 Å²	75	75.6 Å²	75.6	46%	0.455	35%	0.347	S	S	.	.	H	α-helix	trans	-65.7	-37.8	174.9	176.2	0	0	0	0	112	D424 Y425 L426 R432	D424-V428 PolarHBondContact O-N 2.82Å; Y425-V428 WeakPolarHBondContact O-CB 3.42Å; Y425-V428 PolarHBondContact O-N 2.75Å; Y425-V428 VanDerWaalsContact O-N 3.14Å; L426-V428 VanDerWaalsContact C-N 3.29Å; L426-V428 PolarHBondContact O-N 3.06Å; V428-R432 WeakPolarHBondContact O-CG 3.46Å; V428-R432 PolarHBondContact O-N 2.86Å; V428-R432 VanDerWaalsContact O-N 3.13Å
429	L	96.6	Very high	95.4	Very high	4 Å²	4	77 Å²	77	2%	0.021	35%	0.349	C	S	.	.	H	α-helix	trans	-69.7	-41.6	176	-62.6	-170.6	0	0	0	112.2	Y425 L426 R432 L433 L566 I570 I573	Y425-L429 HydrophobicContact CD1-CD1 4.4Å; Y425-L429 HydrophobicContact CE1-CD1 3.92Å; Y425-L429 HydrophobicContact CE1-CD2 4.4Å; Y425-L429 HydrophobicContact CE1-CG 4.21Å; Y425-L429 HydrophobicContact CE2-CD2 4.41Å; Y425-L429 PolarHBondContact O-N 3.15Å; L426-L429 PolarHBondContact O-N 3.38Å; L426-L429 VanDerWaalsContact O-N 3.08Å; L429-R432 WeakPolarHBondContact O-CB 3.38Å; L429-R432 PolarHBondContact O-N 3.24Å; L429-R432 VanDerWaalsContact O-N 3.15Å; L429-L433 PolarHBondContact O-N 3.38Å; L429-L566 HydrophobicContact CB-CD2 4.46Å; L429-L566 HydrophobicContact CD2-CD2 3.9Å; L429-I570 HydrophobicContact CB-CD1 4.14Å; L429-I570 HydrophobicContact CB-CG1 3.78Å; L429-I570 HydrophobicContact CD1-CG1 4.32Å; L429-I573 HydrophobicContact CD1-CD1 3.61Å
430	Q	96.2	Very high	95.3	Very high	82 Å²	82	77 Å²	77	38%	0.383	36%	0.357	S	S	.	.	H	α-helix	trans	-60.5	-47.9	174.7	-71.9	169.6	-17.8	0	0	111	L426 T427 R432 L433 E434 I570	L426-Q430 HydrophobicContact CD1-CG 4.3Å; L426-Q430 WeakPolarHBondContact O-CG 3.25Å; L426-Q430 PolarHBondContact O-N 2.9Å; T427-Q430 PolarHBondContact O-N 3.38Å; Q430-R432 PolarHBondContact O-N 3.45Å; Q430-L433 PolarHBondContact O-N 3.45Å; Q430-E434 WeakPolarHBondContact O-CB 3.42Å; Q430-E434 PolarHBondContact O-N 2.88Å; Q430-I570 HydrophobicContact CG-CD1 4.08Å; Q430-I570 HydrophobicContact CG-CG1 4.48Å
431	Q	95.8	Very high	95.4	Very high	114 Å²	114	79.2 Å²	79.2	53%	0.533	38%	0.383	S	S	.	.	H	α-helix	trans	-63.6	-19.9	175	-72.7	179.1	14.7	0	0	114.4	T427 R435	T427-Q431 WeakPolarHBondContact O-CB 3.35Å; T427-Q431 VanDerWaalsContact O-CG 3.29Å; T427-Q431 WeakPolarHBondContact O-CG 3.08Å; T427-Q431 PolarHBondContact O-N 3.15Å; Q431-R435 WeakPolarHBondContact O-CG 3.41Å; Q431-R435 PolarHBondContact O-NE 3.44Å
432	R	96.4	Very high	95.1	Very high	106 Å²	106	73.7 Å²	73.7	40%	0.4	37%	0.372	S	S	.	.	H	α-helix	trans	-81.9	-48.5	170.3	-78	-179.5	63.9	-158.2	-5.3	111.2	V428 L429 Q430 E434 R435 Y436 L566	V428-R432 WeakPolarHBondContact O-CG 3.46Å; V428-R432 PolarHBondContact O-N 2.86Å; V428-R432 VanDerWaalsContact O-N 3.13Å; L429-R432 WeakPolarHBondContact O-CB 3.38Å; L429-R432 PolarHBondContact O-N 3.24Å; L429-R432 VanDerWaalsContact O-N 3.15Å; Q430-R432 PolarHBondContact O-N 3.45Å; R432-E434 VanDerWaalsContact C-N 3.29Å; R432-E434 PolarHBondContact O-N 3.32Å; R432-R435 WeakPolarHBondContact O-CB 3.28Å; R432-R435 PolarHBondContact O-N 3.32Å; R432-R435 VanDerWaalsContact O-N 3.1Å; R432-Y436 WeakPolarHBondContact O-CD2 3.31Å; R432-Y436 WeakPolarHBondContact O-CE2 3.16Å; R432-L566 HydrophobicContact CB-CD1 4.23Å; R432-L566 HydrophobicContact CB-CD2 4.45Å
433	L	96.4	Very high	94.8	Very high	21 Å²	21	79.3 Å²	79.3	11%	0.11	41%	0.41	C	S	.	.	H	α-helix	trans	-56.4	-44	177.9	179.1	60	0	0	0	111.4	L429 Q430 R435 Y436 L437 T563 L566 Q567 I570	L429-L433 PolarHBondContact O-N 3.38Å; Q430-L433 PolarHBondContact O-N 3.45Å; L433-R435 PolarHBondContact O-N 3.47Å; L433-R435 VanDerWaalsContact O-N 3.13Å; L433-Y436 PolarHBondContact O-N 3.45Å; L433-L437 HydrophobicContact CD1-CD1 4.18Å; L433-L437 HydrophobicContact CD1-CG 4.18Å; L433-L437 HydrophobicContact CD2-CD1 4.33Å; L433-L437 HydrophobicContact CG-CD1 3.86Å; L433-L437 HydrophobicContact CG-CG 4.25Å; L433-L437 PolarHBondContact O-N 2.98Å; L433-L437 VanDerWaalsContact O-N 3.11Å; L433-T563 HydrophobicContact CD1-CG2 3.73Å; L433-L566 HydrophobicContact CB-CD1 4.44Å; L433-L566 HydrophobicContact CD1-CB 4.42Å; L433-Q567 HydrophobicContact CD1-CG 4.08Å; L433-Q567 HydrophobicContact CD2-CG 3.78Å; L433-I570 HydrophobicContact CB-CD1 4.32Å; L433-I570 HydrophobicContact CD2-CD1 3.74Å
434	E	96.1	Very high	94.7	Very high	100 Å²	100	83.1 Å²	83.1	47%	0.467	43%	0.427	S	S	.	.	H	α-helix	trans	-58.2	-27.3	178.4	-169.5	56.1	-147.8	0	0	113.2	Q430 R432 Y436 S438	Q430-E434 WeakPolarHBondContact O-CB 3.42Å; Q430-E434 PolarHBondContact O-N 2.88Å; R432-E434 VanDerWaalsContact C-N 3.29Å; R432-E434 PolarHBondContact O-N 3.32Å; E434-Y436 VanDerWaalsContact C-N 3.32Å; E434-Y436 PolarHBondContact O-N 3Å; E434-S438 WeakPolarHBondContact O-CA 3.39Å; E434-S438 WeakPolarHBondContact O-CB 3.16Å; E434-S438 PolarHBondContact O-N 3.27Å; E434-S438 WeakPolarHBondContact OE1-CB 3.33Å; E434-S438 PolarHBondContact OE1-OG 3.27Å
435	R	95.2	Very high	94.6	Very high	176 Å²	176	85.7 Å²	85.7	66%	0.664	43%	0.43	S	S	*	.	H	α-helix	trans	-74.1	-21.5	176.2	-63	173.7	-170	-159.4	-0.4	113.6	Q431 R432 L433	Q431-R435 WeakPolarHBondContact O-CG 3.41Å; Q431-R435 PolarHBondContact O-NE 3.44Å; R432-R435 WeakPolarHBondContact O-CB 3.28Å; R432-R435 PolarHBondContact O-N 3.32Å; R432-R435 VanDerWaalsContact O-N 3.1Å; L433-R435 PolarHBondContact O-N 3.47Å; L433-R435 VanDerWaalsContact O-N 3.13Å
436	Y	96.1	Very high	94.6	Very high	39 Å²	39	85 Å²	85	15%	0.153	43%	0.43	C	S	.	.	H	α-helix	trans	-90.4	-34.4	174.4	-56.8	-86.2	0	0	0	111.3	R432 L433 E434 P447 L448 I559 D562 L566	R432-Y436 WeakPolarHBondContact O-CD2 3.31Å; R432-Y436 WeakPolarHBondContact O-CE2 3.16Å; L433-Y436 PolarHBondContact O-N 3.45Å; E434-Y436 VanDerWaalsContact C-N 3.32Å; E434-Y436 PolarHBondContact O-N 3Å; Y436-P447 CarbonylContact O-C 2.89Å; Y436-P447 WeakPolarHBondContact O-CA 3.38Å; Y436-L448 HydrophobicContact CD1-CD2 4.3Å; Y436-L448 PolarHBondContact O-N 3.23Å; Y436-I559 HydrophobicContact CD1-CD1 4.17Å; Y436-I559 HydrophobicContact CD1-CG2 3.75Å; Y436-I559 HydrophobicContact CE1-CD1 3.88Å; Y436-I559 HydrophobicContact CE1-CG2 4.44Å; Y436-I559 HydrophobicContact CG-CG2 4.47Å; Y436-D562 HydrophobicContact CE1-CB 4.28Å; Y436-D562 PolarHBondContact OH-OD2 2.88Å; Y436-L566 HydrophobicContact CD2-CD1 4.05Å; Y436-L566 HydrophobicContact CE2-CD1 3.6Å
437	L	95.4	Very high	94.6	Very high	68 Å²	68	86.3 Å²	86.3	36%	0.356	44%	0.439	S	S	.	.	H	α-helix	trans	-78.6	-40.5	177.8	-59.9	-179.3	0	0	0	112.8	L433 F446 P447 T563	L433-L437 HydrophobicContact CD1-CD1 4.18Å; L433-L437 HydrophobicContact CD1-CG 4.18Å; L433-L437 HydrophobicContact CD2-CD1 4.33Å; L433-L437 HydrophobicContact CG-CD1 3.86Å; L433-L437 HydrophobicContact CG-CG 4.25Å; L433-L437 PolarHBondContact O-N 2.98Å; L433-L437 VanDerWaalsContact O-N 3.11Å; L437-F446 CarbonylContact O-C 3.59Å; L437-F446 VanDerWaalsContact O-C 3.24Å; L437-P447 VanDerWaalsContact O-CA 3.25Å; L437-P447 WeakPolarHBondContact O-CA 3.1Å; L437-P447 VanDerWaalsContact O-N 3.12Å; L437-T563 HydrophobicContact CD2-CG2 4.31Å
438	S	95.6	Very high	94.7	Very high	45 Å²	45	84.8 Å²	84.8	32%	0.315	43%	0.428	S	S	.	.	S	Bend	trans	-112.3	62.9	177.2	-67.1	0	0	0	0	110.4	E434 R445	E434-S438 WeakPolarHBondContact O-CA 3.39Å; E434-S438 WeakPolarHBondContact O-CB 3.16Å; E434-S438 PolarHBondContact O-N 3.27Å; E434-S438 WeakPolarHBondContact OE1-CB 3.33Å; E434-S438 PolarHBondContact OE1-OG 3.27Å; S438-R445 WeakPolarHBondContact O-CD 3.47Å
439	Y	96.3	Very high	94.7	Very high	116 Å²	116	82.4 Å²	82.4	46%	0.455	41%	0.414	S	S	.	.	B	Isolated β-bridge	trans	-80.9	139.2	177.6	-175.1	-98.6	0	0	0	111.8	R445 F446 L448	Y439-R445 VanDerWaalsContact O-CA 3.3Å; Y439-R445 WeakPolarHBondContact O-CA 3.44Å; Y439-R445 WeakPolarHBondContact O-CB 3.5Å; Y439-F446 WeakPolarHBondContact CA-O 3.48Å; Y439-F446 VanDerWaalsContact CB-O 3.32Å; Y439-F446 WeakPolarHBondContact CB-O 3.36Å; Y439-F446 PolarHBondContact N-O 3.48Å; Y439-F446 PolarHBondContact O-N 3.49Å; Y439-L448 HydrophobicContact CD1-CD1 3.77Å; Y439-L448 HydrophobicContact CD2-CB 4.48Å; Y439-L448 HydrophobicContact CD2-CD1 4.29Å; Y439-L448 HydrophobicContact CD2-CD2 4.26Å; Y439-L448 HydrophobicContact CE1-CD1 3.82Å; Y439-L448 HydrophobicContact CE2-CD1 4.35Å; Y439-L448 HydrophobicContact CE2-CD2 4.42Å; Y439-L448 HydrophobicContact CG-CB 4.08Å; Y439-L448 HydrophobicContact CG-CD1 4.01Å; Y439-L448 HydrophobicContact CG-CG 4.45Å
440	G	91.7	Very high	94.6	Very high	28 Å²	28	85 Å²	85	29%	0.289	43%	0.428	S	S	.	.			trans	144.1	146.2	172.8	0	0	0	0	0	114.7	R445	G440-R445 PolarHBondContact O-NE 3.34Å; G440-R445 PolarHBondContact O-NH2 2.9Å; G440-R445 VanDerWaalsContact O-NH2 3.12Å
441	S	92.7	Very high	94.6	Very high	132 Å²	132	83.9 Å²	83.9	92%	0.923	43%	0.426	S	S	*	.	S	Bend	trans	-84.2	-21	174.5	51.9	0	0	0	0	113.7
442	G	89.8	Confident	94.6	Very high	34 Å²	34	79.5 Å²	79.5	35%	0.351	41%	0.407	S	S	.	.	S	Bend	trans	-83.9	-178.9	178.4	0	0	0	0	0	114.2
443	P	89.3	Confident	94.6	Very high	143 Å²	143	76.4 Å²	76.4	93%	0.929	40%	0.397	S	S	*	.	S	Bend	trans	-74	-25.3	177.9	30.4	-35.4	0	0	0	113.2
444	K	90.9	Very high	94.5	Very high	168 Å²	168	82.4 Å²	82.4	73%	0.73	42%	0.419	S	S	*	.	S	Bend	trans	-91.4	137.5	167.2	-64.2	-170.2	178.4	-172.6	0	109.1	F446	K444-F446 HydrophobicContact CB-CE2 4.14Å; K444-F446 HydrophobicContact CB-CZ 4.04Å
445	R	93.1	Very high	94.5	Very high	144 Å²	144	79.7 Å²	79.7	54%	0.543	41%	0.414	S	S	.	.			trans	-134.8	151.7	-177.4	-73.1	179.1	163.8	147.8	8.2	110	S438 Y439 G440	S438-R445 WeakPolarHBondContact O-CD 3.47Å; Y439-R445 VanDerWaalsContact O-CA 3.3Å; Y439-R445 WeakPolarHBondContact O-CA 3.44Å; Y439-R445 WeakPolarHBondContact O-CB 3.5Å; G440-R445 PolarHBondContact O-NE 3.34Å; G440-R445 PolarHBondContact O-NH2 2.9Å; G440-R445 VanDerWaalsContact O-NH2 3.12Å
446	F	94.8	Very high	94.4	Very high	118 Å²	118	72.3 Å²	72.3	52%	0.518	39%	0.387	S	S	.	.	B	Isolated β-bridge	trans	-145.6	159.6	-171.9	-53.1	-77.9	0	0	0	110	L437 Y439 K444 L448 V451	L437-F446 CarbonylContact O-C 3.59Å; L437-F446 VanDerWaalsContact O-C 3.24Å; Y439-F446 WeakPolarHBondContact CA-O 3.48Å; Y439-F446 VanDerWaalsContact CB-O 3.32Å; Y439-F446 WeakPolarHBondContact CB-O 3.36Å; Y439-F446 PolarHBondContact N-O 3.48Å; Y439-F446 PolarHBondContact O-N 3.49Å; K444-F446 HydrophobicContact CB-CE2 4.14Å; K444-F446 HydrophobicContact CB-CZ 4.04Å; F446-L448 PolarHBondContact O-N 2.97Å; F446-V451 HydrophobicContact CB-CG2 3.9Å
447	P	96.9	Very high	94.2	Very high	41 Å²	41	75.1 Å²	75.1	27%	0.266	40%	0.402	S	S	.	.			trans	-62.5	135.5	173.9	-22.5	34.8	0	0	0	111.5	Y436 L437 V449 D450 V451	Y436-P447 CarbonylContact O-C 2.89Å; Y436-P447 WeakPolarHBondContact O-CA 3.38Å; L437-P447 VanDerWaalsContact O-CA 3.25Å; L437-P447 WeakPolarHBondContact O-CA 3.1Å; L437-P447 VanDerWaalsContact O-N 3.12Å; P447-V449 PolarHBondContact O-N 3.29Å; P447-D450 HydrophobicContact CB-CB 4.31Å; P447-D450 WeakPolarHBondContact CG-OD2 3.09Å; P447-D450 PolarHBondContact O-N 3.4Å; P447-V451 WeakPolarHBondContact O-CG2 3.47Å; P447-V451 PolarHBondContact O-N 3.44Å
448	L	96.9	Very high	94.1	Very high	26 Å²	26	76.3 Å²	76.3	14%	0.136	40%	0.404	C	S	.	.	H	α-helix	trans	-64.6	-30.9	-179.3	179.2	57.6	0	0	0	112	Y436 Y439 F446 V451 L452 I559	Y436-L448 HydrophobicContact CD1-CD2 4.3Å; Y436-L448 PolarHBondContact O-N 3.23Å; Y439-L448 HydrophobicContact CD1-CD1 3.77Å; Y439-L448 HydrophobicContact CD2-CB 4.48Å; Y439-L448 HydrophobicContact CD2-CD1 4.29Å; Y439-L448 HydrophobicContact CD2-CD2 4.26Å; Y439-L448 HydrophobicContact CE1-CD1 3.82Å; Y439-L448 HydrophobicContact CE2-CD1 4.35Å; Y439-L448 HydrophobicContact CE2-CD2 4.42Å; Y439-L448 HydrophobicContact CG-CB 4.08Å; Y439-L448 HydrophobicContact CG-CD1 4.01Å; Y439-L448 HydrophobicContact CG-CG 4.45Å; F446-L448 PolarHBondContact O-N 2.97Å; L448-V451 PolarHBondContact O-N 2.94Å; L448-L452 HydrophobicContact CD1-CD1 4.26Å; L448-L452 HydrophobicContact CD1-CG 4.13Å; L448-L452 HydrophobicContact CG-CD1 4.09Å; L448-L452 HydrophobicContact CG-CG 4.44Å; L448-L452 WeakPolarHBondContact O-CB 3.34Å; L448-L452 VanDerWaalsContact O-CG 3.25Å; L448-L452 WeakPolarHBondContact O-CG 3.49Å; L448-L452 PolarHBondContact O-N 2.93Å; L448-I559 HydrophobicContact CB-CG2 4.38Å; L448-I559 HydrophobicContact CD2-CD1 4.14Å; L448-I559 HydrophobicContact CD2-CG1 3.91Å; L448-I559 HydrophobicContact CD2-CG2 4.34Å; L448-I559 HydrophobicContact CG-CG1 4.27Å; L448-I559 HydrophobicContact CG-CG2 4.4Å
449	V	96.3	Very high	93.9	Very high	26 Å²	26	74.6 Å²	74.6	16%	0.158	39%	0.393	C	S	.	.	H	α-helix	trans	-59.2	-49.1	173.5	179.8	0	0	0	0	110.3	P447 L452 Q453 R556 I559 E560	P447-V449 PolarHBondContact O-N 3.29Å; V449-L452 PolarHBondContact O-N 3.16Å; V449-Q453 WeakPolarHBondContact O-CB 3.11Å; V449-Q453 PolarHBondContact O-N 3.35Å; V449-R556 HydrophobicContact CG1-CG 4.01Å; V449-I559 HydrophobicContact CG2-CB 4.32Å; V449-I559 HydrophobicContact CG2-CG2 3.71Å; V449-E560 HydrophobicContact CG1-CG 3.77Å; V449-E560 HydrophobicContact CG2-CG 3.92Å
450	D	95.5	Very high	93.5	Very high	59 Å²	59	71.8 Å²	71.8	32%	0.316	39%	0.39	S	S	.	.	H	α-helix	trans	-65.4	-43.7	-179.4	-54.9	2.1	0	0	0	111	P447 L452 Q453 Y454	P447-D450 HydrophobicContact CB-CB 4.31Å; P447-D450 WeakPolarHBondContact CG-OD2 3.09Å; P447-D450 PolarHBondContact O-N 3.4Å; D450-L452 VanDerWaalsContact C-N 3.33Å; D450-L452 PolarHBondContact O-N 3.44Å; D450-Q453 PolarHBondContact O-N 2.86Å; D450-Q453 VanDerWaalsContact O-N 3.15Å; D450-Y454 HydrophobicContact CB-CD2 4.26Å; D450-Y454 HydrophobicContact CB-CE2 3.73Å; D450-Y454 WeakPolarHBondContact O-CD2 3.41Å; D450-Y454 VanDerWaalsContact O-CG 3.3Å; D450-Y454 PolarHBondContact O-N 2.7Å
451	V	96.4	Very high	93.4	Very high	57 Å²	57	72 Å²	72	35%	0.345	39%	0.387	S	S	.	.	H	α-helix	trans	-61.5	-40.4	176.5	175.6	0	0	0	0	111.5	F446 P447 L448 A455	F446-V451 HydrophobicContact CB-CG2 3.9Å; P447-V451 WeakPolarHBondContact O-CG2 3.47Å; P447-V451 PolarHBondContact O-N 3.44Å; L448-V451 PolarHBondContact O-N 2.94Å; V451-A455 WeakPolarHBondContact O-CB 3.29Å; V451-A455 PolarHBondContact O-N 2.98Å; V451-A455 VanDerWaalsContact O-N 3.11Å
452	L	95.5	Very high	92.9	Very high	22 Å²	22	70 Å²	70	12%	0.115	36%	0.362	C	S	.	.	H	α-helix	trans	-67.4	-37.6	174.6	-72.2	169.5	0	0	0	111.8	L448 V449 D450 L456 L552 W555 R556 I559	L448-L452 HydrophobicContact CD1-CD1 4.26Å; L448-L452 HydrophobicContact CD1-CG 4.13Å; L448-L452 HydrophobicContact CG-CD1 4.09Å; L448-L452 HydrophobicContact CG-CG 4.44Å; L448-L452 WeakPolarHBondContact O-CB 3.34Å; L448-L452 VanDerWaalsContact O-CG 3.25Å; L448-L452 WeakPolarHBondContact O-CG 3.49Å; L448-L452 PolarHBondContact O-N 2.93Å; V449-L452 PolarHBondContact O-N 3.16Å; D450-L452 VanDerWaalsContact C-N 3.33Å; D450-L452 PolarHBondContact O-N 3.44Å; L452-L456 WeakPolarHBondContact O-CB 3.14Å; L452-L456 PolarHBondContact O-N 3.31Å; L452-L456 VanDerWaalsContact O-N 3.09Å; L452-L552 HydrophobicContact CD2-CD2 3.77Å; L452-W555 HydrophobicContact CD1-CB 4.17Å; L452-R556 HydrophobicContact CB-CB 4.33Å; L452-R556 HydrophobicContact CD1-CB 4.48Å; L452-I559 HydrophobicContact CD1-CG1 4.01Å
453	Q	95.1	Very high	92.5	Very high	42 Å²	42	71.2 Å²	71.2	20%	0.196	36%	0.364	C	S	.	.	H	α-helix	trans	-68.8	-51.2	177.9	-179.6	59.7	15.1	0	0	112.2	V449 D450 A455 L456 E457	V449-Q453 WeakPolarHBondContact O-CB 3.11Å; V449-Q453 PolarHBondContact O-N 3.35Å; D450-Q453 PolarHBondContact O-N 2.86Å; D450-Q453 VanDerWaalsContact O-N 3.15Å; Q453-A455 VanDerWaalsContact C-N 3.26Å; Q453-A455 PolarHBondContact O-N 2.68Å; Q453-L456 WeakPolarHBondContact O-CB 2.95Å; Q453-L456 PolarHBondContact O-N 2.61Å; Q453-E457 HydrophobicContact CG-CG 4.37Å; Q453-E457 WeakPolarHBondContact CG-OE1 3.45Å; Q453-E457 PolarHBondContact NE2-OE1 2.87Å; Q453-E457 WeakPolarHBondContact O-CG 3.23Å; Q453-E457 PolarHBondContact O-N 3.03Å
454	Y	95.6	Very high	91.9	Very high	147 Å²	147	65.2 Å²	65.2	58%	0.576	33%	0.325	S	S	*	.	H	α-helix	trans	-64.9	-31.4	179.3	-57.5	-41.4	0	0	0	112	D450 E457 F458	D450-Y454 HydrophobicContact CB-CD2 4.26Å; D450-Y454 HydrophobicContact CB-CE2 3.73Å; D450-Y454 WeakPolarHBondContact O-CD2 3.41Å; D450-Y454 VanDerWaalsContact O-CG 3.3Å; D450-Y454 PolarHBondContact O-N 2.7Å; Y454-E457 WeakPolarHBondContact CD1-OE2 3.46Å; Y454-F458 VanDerWaalsContact O-CB 3.25Å; Y454-F458 WeakPolarHBondContact O-CB 3.45Å; Y454-F458 PolarHBondContact O-N 3.39Å
455	A	95.1	Very high	90.5	Very high	43 Å²	43	62.3 Å²	62.3	36%	0.355	32%	0.324	S	S	.	.	H	α-helix	trans	-66.5	-37.7	171.4	0	0	0	0	0	112.6	V451 Q453 A459 L552	V451-A455 WeakPolarHBondContact O-CB 3.29Å; V451-A455 PolarHBondContact O-N 2.98Å; V451-A455 VanDerWaalsContact O-N 3.11Å; Q453-A455 VanDerWaalsContact C-N 3.26Å; Q453-A455 PolarHBondContact O-N 2.68Å; A455-A459 VanDerWaalsContact O-CB 3.32Å; A455-A459 WeakPolarHBondContact O-CB 3.44Å; A455-A459 PolarHBondContact O-N 3.41Å; A455-L552 HydrophobicContact CB-CD1 4.48Å
456	L	93.4	Very high	89	Confident	21 Å²	21	60.6 Å²	60.6	11%	0.11	33%	0.33	C	S	.	.	H	α-helix	trans	-71.1	-44.6	176.2	177.4	57.9	0	0	0	112	L452 Q453 A459 S460 E549 L552 H553	L452-L456 WeakPolarHBondContact O-CB 3.14Å; L452-L456 PolarHBondContact O-N 3.31Å; L452-L456 VanDerWaalsContact O-N 3.09Å; Q453-L456 WeakPolarHBondContact O-CB 2.95Å; Q453-L456 PolarHBondContact O-N 2.61Å; L456-A459 PolarHBondContact O-N 3.27Å; L456-S460 WeakPolarHBondContact O-CB 3.28Å; L456-S460 PolarHBondContact O-N 2.91Å; L456-S460 PolarHBondContact O-OG 3.46Å; L456-E549 HydrophobicContact CD1-CB 4.36Å; L456-E549 HydrophobicContact CD1-CG 4.01Å; L456-L552 HydrophobicContact CB-CB 4.23Å; L456-L552 HydrophobicContact CB-CD1 4Å; L456-L552 HydrophobicContact CD1-CB 4.34Å; L456-L552 HydrophobicContact CD1-CD1 4.26Å; L456-H553 HydrophobicContact CD2-CB 4.3Å
457	E	92.1	Very high	87	Confident	98 Å²	98	57.9 Å²	57.9	46%	0.458	33%	0.325	S	S	.	.	H	α-helix	trans	-60.8	-44.1	175	-72.2	172.4	177.4	0	0	111.4	Q453 Y454 S460 S461	Q453-E457 HydrophobicContact CG-CG 4.37Å; Q453-E457 WeakPolarHBondContact CG-OE1 3.45Å; Q453-E457 PolarHBondContact NE2-OE1 2.87Å; Q453-E457 WeakPolarHBondContact O-CG 3.23Å; Q453-E457 PolarHBondContact O-N 3.03Å; Y454-E457 WeakPolarHBondContact CD1-OE2 3.46Å; E457-S460 PolarHBondContact O-N 3.02Å; E457-S461 PolarHBondContact O-N 3.31Å
458	F	93.3	Very high	85	Confident	92 Å²	92	61.5 Å²	61.5	40%	0.404	35%	0.349	S	S	.	.	H	α-helix	trans	-61.2	-48.7	172.6	176.1	-98.7	0	0	0	111.7	Y454 S460 S461 P535 A536 P537	Y454-F458 VanDerWaalsContact O-CB 3.25Å; Y454-F458 WeakPolarHBondContact O-CB 3.45Å; Y454-F458 PolarHBondContact O-N 3.39Å; F458-S460 VanDerWaalsContact C-N 3.27Å; F458-S460 PolarHBondContact O-N 2.88Å; F458-S461 WeakPolarHBondContact O-CB 3.36Å; F458-S461 PolarHBondContact O-N 3.08Å; F458-S461 VanDerWaalsContact O-N 3.16Å; F458-S461 PolarHBondContact O-OG 3.39Å; F458-P535 HydrophobicContact CD2-CB 4.33Å; F458-P535 HydrophobicContact CE2-CB 4.11Å; F458-A536 VanDerWaalsContact CE2-C 3.43Å; F458-P537 HydrophobicContact CE1-CB 4.36Å; F458-P537 HydrophobicContact CZ-CB 4.44Å; F458-P537 WeakPolarHBondContact O-CD 3.48Å
459	A	90.9	Very high	82.7	Confident	10 Å²	10	66.3 Å²	66.3	8%	0.083	38%	0.379	C	S	.	.	H	α-helix	trans	-61.6	-35	179.5	0	0	0	0	0	113.1	A455 L456 S461 L548	A455-A459 VanDerWaalsContact O-CB 3.32Å; A455-A459 WeakPolarHBondContact O-CB 3.44Å; A455-A459 PolarHBondContact O-N 3.41Å; L456-A459 PolarHBondContact O-N 3.27Å; A459-S461 VanDerWaalsContact C-N 3.35Å; A459-L548 HydrophobicContact CB-CD1 4.31Å
460	S	88.8	Confident	80.3	Confident	56 Å²	56	72.5 Å²	72.5	39%	0.392	41%	0.411	S	S	.	.	H	α-helix	trans	-82.6	-9.7	179.3	-48.6	0	0	0	0	113.6	L456 E457 F458	L456-S460 WeakPolarHBondContact O-CB 3.28Å; L456-S460 PolarHBondContact O-N 2.91Å; L456-S460 PolarHBondContact O-OG 3.46Å; E457-S460 PolarHBondContact O-N 3.02Å; F458-S460 VanDerWaalsContact C-N 3.27Å; F458-S460 PolarHBondContact O-N 2.88Å
461	S	88.6	Confident	77.4	Confident	33 Å²	33	77.3 Å²	77.3	23%	0.231	44%	0.437	C	S	.	.	S	Bend	trans	-71.1	144.5	178	71.7	0	0	0	0	111.7	E457 F458 A459 A536 P537	E457-S461 PolarHBondContact O-N 3.31Å; F458-S461 WeakPolarHBondContact O-CB 3.36Å; F458-S461 PolarHBondContact O-N 3.08Å; F458-S461 VanDerWaalsContact O-N 3.16Å; F458-S461 PolarHBondContact O-OG 3.39Å; A459-S461 VanDerWaalsContact C-N 3.35Å; S461-A536 WeakPolarHBondContact OG-CA 3.34Å; S461-A536 WeakPolarHBondContact OG-CB 3.42Å; S461-P537 VanDerWaalsContact OG-CD 3.25Å; S461-P537 WeakPolarHBondContact OG-CD 3.48Å
462	K	83.6	Confident	74.7	Confident	90 Å²	90	81.8 Å²	81.8	39%	0.391	46%	0.457	S	S	.	.	P	Polyproline II helix	trans	-63.7	127.5	-174.8	-69.5	-178.5	-178.2	173.8	0	111.3	V464 D530 P532 A536	K462-V464 PolarHBondContact O-N 3.12Å; K462-D530 VanDerWaalsContact CE-CG 3.48Å; K462-D530 WeakPolarHBondContact CE-OD1 3.36Å; K462-D530 VanDerWaalsContact CE-OD2 3.27Å; K462-D530 WeakPolarHBondContact CE-OD2 3.41Å; K462-D530 PolarHBondContact NZ-O 3.39Å; K462-D530 IonicContact NZ-OD1 3.84Å; K462-D530 PolarHBondContact NZ-OD1 3.15Å; K462-D530 IonicContact NZ-OD2 2.69Å; K462-D530 PolarHBondContact NZ-OD2 3.33Å; K462-P532 HydrophobicContact CB-CB 3.8Å; K462-A536 WeakPolarHBondContact O-CB 3.46Å
463	P	81.3	Confident	71.7	Confident	59 Å²	59	88.3 Å²	88.3	38%	0.383	49%	0.492	S	S	.	.	P	Polyproline II helix	trans	-58.5	137.6	-174.8	-29.5	36.4	0	0	0	114.8	P537 I540	P463-P537 WeakPolarHBondContact CA-O 3.43Å; P463-P537 WeakPolarHBondContact CB-O 3.49Å; P463-P537 HydrophobicContact CG-CG 4.49Å; P463-I540 HydrophobicContact CG-CG2 3.9Å
464	V	76.6	Confident	68.7	Low	18 Å²	18	90.7 Å²	90.7	11%	0.109	52%	0.519	C	S	.	.			trans	-118.8	122.6	175	-172.2	0	0	0	0	109.6	K462 T466 P532 H534 A536 P537	K462-V464 PolarHBondContact O-N 3.12Å; V464-T466 WeakPolarHBondContact CG1-O 3.23Å; V464-P532 HydrophobicContact CG2-CB 3.94Å; V464-H534 WeakPolarHBondContact CG1-CE1 3.43Å; V464-A536 HydrophobicContact CB-CB 4.48Å; V464-A536 HydrophobicContact CG2-CB 3.93Å; V464-P537 PolarHBondContact N-O 3.2Å; V464-P537 VanDerWaalsContact N-O 3.13Å
465	C	61.8	Low	65.6	Low	106 Å²	106	89.4 Å²	89.4	72%	0.716	53%	0.532	S	S	*	.			trans	-92.4	-3	-173.6	-56.3	0	0	0	0	114.7
466	T	60.6	Low	62.4	Low	109 Å²	109	92.8 Å²	92.8	67%	0.669	55%	0.552	S	S	*	*			trans	-129.8	132.6	-174.5	46.1	0	0	0	0	111	V464 H534	V464-T466 WeakPolarHBondContact CG1-O 3.23Å; T466-H534 PolarHBondContact O-CE1 2.7Å; T466-H534 PolarHBondContact O-NE2 3.12Å
467	S	53.4	Low	60.6	Low	60 Å²	60	97.5 Å²	97.5	42%	0.42	58%	0.584	S	S	.	*			trans	-153.4	138.5	175.2	-53	0	0	0	0	111.7	H534	S467-H534 WeakPolarHBondContact CB-NE2 3.49Å; S467-H534 PolarHBondContact OG-CE1 3.2Å; S467-H534 PolarHBondContact OG-NE2 2.7Å
468	P	54.3	Low	58.5	Low	117 Å²	117	97.8 Å²	97.8	76%	0.76	60%	0.595	S	S	*	*	S	Bend		-90.2	140.7	-63.6	35.2	-27.3	0	0	0	110.3
469	V	48.6	Very low	55.4	Low	127 Å²	127	99.3 Å²	99.3	77%	0.77	62%	0.617	S	S	*	*			trans	-148.1	90.2	164.6	-174.3	0	0	0	0	108.1
470	D	46.3	Very low	52.3	Low	156 Å²	156	102 Å²	102	83%	0.834	65%	0.645	S	S	*	*			trans	-140.8	56.7	173.8	-84	-56.9	0	0	0	109.4
471	D	34.6	Very low	49.4	Very low	161 Å²	161	104.9 Å²	104.9	86%	0.861	67%	0.666	S	S	*	*			trans	-82.9	128.1	166.8	-76.8	-51.4	0	0	0	109.8
472	I	40.3	Very low	46.5	Very low	151 Å²	151	111.1 Å²	111.1	77%	0.774	70%	0.695	S	S	*	*			trans	-109.5	119.6	-176.7	-67.1	177.5	0	0	0	111.5
473	D	32.5	Very low	44.7	Very low	159 Å²	159	111.7 Å²	111.7	85%	0.85	71%	0.707	S	S	*	*			trans	47.8	118.1	159.7	-77.9	-33.7	0	0	0	121.2
474	A	31	Very low	42.2	Very low	91 Å²	91	113.4 Å²	113.4	75%	0.752	72%	0.721	S	S	*	*			trans	-147.5	115.7	141.1	0	0	0	0	0	113.3
475	S	31.2	Very low	40	Very low	121 Å²	121	120.3 Å²	120.3	85%	0.846	75%	0.752	S	S	*	*			trans	76.5	152.5	161.5	80.6	0	0	0	0	120.6
476	S	28	Very low	38.2	Very low	113 Å²	113	121.4 Å²	121.4	79%	0.79	76%	0.756	S	S	*	*			trans	-152.4	178.7	176.9	-40.7	0	0	0	0	107.8
477	P	54	Low	36.5	Very low	120 Å²	120	123.8 Å²	123.8	78%	0.779	76%	0.763	S	S	*	*			cis	-117.5	-128.2	-10.3	29.8	-4.6	0	0	0	107.5
478	P	49.1	Very low	35.9	Very low	105 Å²	105	125.9 Å²	125.9	68%	0.682	78%	0.776	S	S	*	*			cis	-134.4	-178.6	-23.8	40.1	-22.1	0	0	0	116.1
479	S	27.3	Very low	34.7	Very low	124 Å²	124	125.1 Å²	125.1	87%	0.867	77%	0.773	S	S	*	*			trans	81.8	133.6	164.6	-38.3	0	0	0	0	116.8
480	G	26.6	Very low	33.7	Very low	65 Å²	65	124.9 Å²	124.9	67%	0.67	77%	0.772	S	S	*	*			cis	176.2	169.9	-6.9	0	0	0	0	0	114.4
481	S	28.6	Very low	33	Very low	118 Å²	118	123.3 Å²	123.3	83%	0.825	77%	0.769	S	S	*	*			trans	62.4	97.6	165.3	45.1	0	0	0	0	121.8
482	I	27.5	Very low	32.8	Very low	163 Å²	163	122.8 Å²	122.8	84%	0.836	76%	0.761	S	S	*	*				0	166.1	125.2	29.5	169	0	0	0	120.9
483	P	44.9	Very low	32.3	Very low	102 Å²	102	122.1 Å²	122.1	66%	0.662	75%	0.754	S	S	*	*			cis	-144.5	177.1	-5.5	35.3	-13.8	0	0	0	118.8
484	S	28.2	Very low	32.1	Very low	96 Å²	96	122.7 Å²	122.7	67%	0.671	75%	0.752	S	S	*	*			trans	75.3	163.3	147.9	77.4	0	0	0	0	119.1
485	Q	30.5	Very low	31.8	Very low	162 Å²	162	121.5 Å²	121.5	76%	0.757	75%	0.749	S	S	*	*			cis	-161.6	148	17.3	-149.4	164.5	106.4	0	0	115.2
486	T	24.8	Very low	31.7	Very low	129 Å²	129	120.4 Å²	120.4	79%	0.791	75%	0.747	S	S	*	*			trans	68.5	138.2	149.2	36.2	0	0	0	0	126.8
487	L	25.4	Very low	32.3	Very low	159 Å²	159	120.9 Å²	120.9	83%	0.832	75%	0.747	S	S	*	*			trans	-77.8	-174.8	161	-90.7	147.5	0	0	0	111.8
488	P	40.2	Very low	30.9	Very low	104 Å²	104	119.9 Å²	119.9	68%	0.675	74%	0.743	S	S	*	*			cis	-155	169.8	28	44.2	-22	0	0	0	122.4
489	S	29.5	Very low	29.9	Very low	102 Å²	102	120 Å²	120	71%	0.713	75%	0.747	S	S	*	*			trans	69.4	152.9	144.5	70.8	0	0	0	0	120
490	T	27.4	Very low	29.9	Very low	121 Å²	121	122.7 Å²	122.7	74%	0.742	75%	0.746	S	S	*	*			cis	-144.3	147.9	27.8	36.3	0	0	0	0	115.4
491	T	31.3	Very low	30.2	Very low	124 Å²	124	127.2 Å²	127.2	76%	0.761	75%	0.754	S	S	*	*			trans	12.1	153.1	139.8	16.3	0	0	0	0	122.3
492	E	30.4	Very low	30.6	Very low	149 Å²	149	127 Å²	127	70%	0.696	75%	0.749	S	S	*	*			cis	-153.4	149.8	43.5	-85.7	-152.8	113.3	0	0	117.5
493	Q	29.8	Very low	30.6	Very low	137 Å²	137	123.5 Å²	123.5	64%	0.64	74%	0.739	S	S	*	*			trans	60.6	149.1	144.2	-64	-174.5	45.3	0	0	120.7
494	Q	28.3	Very low	29.7	Very low	171 Å²	171	125.7 Å²	125.7	80%	0.799	75%	0.751	S	S	*	*			cis	-149.2	170.5	6.1	-131.5	177.3	55.5	0	0	111.7
495	G	24.9	Very low	30	Very low	67 Å²	67	126.3 Å²	126.3	69%	0.691	76%	0.755	S	S	*	*			trans	-52.1	155.6	-163.9	0	0	0	0	0	120.2
496	A	29.7	Very low	30.9	Very low	97 Å²	97	123.7 Å²	123.7	80%	0.802	75%	0.752	S	S	*	*			cis	81.4	157.3	43.8	0	0	0	0	0	114.6
497	P	40	Very low	31.2	Very low	123 Å²	123	122.9 Å²	122.9	80%	0.799	75%	0.752	S	S	*	*			cis	-104.8	-161.5	-16	41	-28.3	0	0	0	110.6
498	S	24.8	Very low	31.3	Very low	99 Å²	99	121.3 Å²	121.3	69%	0.692	75%	0.754	S	S	*	*			cis	-141.5	-178.9	4.6	-59.3	0	0	0	0	108.7
499	S	27.4	Very low	31.2	Very low	108 Å²	108	123.7 Å²	123.7	76%	0.755	77%	0.767	S	S	*	*			cis	73.1	146	21.9	-115.4	0	0	0	0	115
500	E	26.8	Very low	31.1	Very low	181 Å²	181	123 Å²	123	85%	0.846	77%	0.767	S	S	*	*			cis	-141	173.8	9.6	-84.8	-168.5	150.4	0	0	113
501	L	33.1	Very low	31.7	Very low	160 Å²	160	122.3 Å²	122.3	84%	0.838	77%	0.774	S	S	*	*			trans	-67.8	173	164	-82.1	160.4	0	0	0	111.4
502	P	37.5	Very low	31.9	Very low	112 Å²	112	123 Å²	123	73%	0.727	78%	0.778	S	S	*	*			cis	-153.9	-177.8	38.1	45.4	-23.2	0	0	0	120.3
503	S	27.8	Very low	32.1	Very low	91 Å²	91	120.8 Å²	120.8	64%	0.636	78%	0.778	S	S	*	*			trans	-12.3	139.9	159.4	60	0	0	0	0	120.3
504	T	25.9	Very low	32.4	Very low	147 Å²	147	120 Å²	120	90%	0.902	79%	0.788	S	S	*	*				-167.5	154.2	101.3	18.4	0	0	0	0	112.5
505	S	33.8	Very low	33	Very low	109 Å²	109	122.4 Å²	122.4	76%	0.762	79%	0.79	S	S	*	*			trans	-123.6	173.7	168.7	63.8	0	0	0	0	108.2
506	P	51	Low	33.9	Very low	108 Å²	108	124 Å²	124	70%	0.701	79%	0.79	S	S	*	*			cis	-135.5	-172.6	5.2	43.4	-26.4	0	0	0	115.2
507	S	31	Very low	35.1	Very low	111 Å²	111	124.7 Å²	124.7	78%	0.776	78%	0.784	S	S	*	*			trans	66	109.2	150.3	-58.6	0	0	0	0	120.9
508	S	26.4	Very low	36.3	Very low	126 Å²	126	125.8 Å²	125.8	88%	0.881	78%	0.782	S	S	*	*				-165.3	157.9	123.3	31.7	0	0	0	0	111.6
509	V	37.6	Very low	38.2	Very low	155 Å²	155	126 Å²	126	94%	0.939	77%	0.772	S	S	*	*			trans	-80	130.3	-175.2	-177.2	0	0	0	0	110.7
510	A	28.1	Very low	40.4	Very low	86 Å²	86	127.8 Å²	127.8	71%	0.711	77%	0.766	S	S	*	*			trans	-140.4	128.3	166.6	0	0	0	0	0	109.8
511	A	40.8	Very low	42.4	Very low	108 Å²	108	124.8 Å²	124.8	89%	0.893	76%	0.762	S	S	*	*			trans	-73.1	127.8	177.9	0	0	0	0	0	110.6
512	V	33.7	Very low	44.2	Very low	139 Å²	139	126.8 Å²	126.8	84%	0.842	76%	0.764	S	S	*	*			trans	-102.8	111.3	170.5	179.1	0	0	0	0	108.3	S514	V512-S514 PolarHBondContact O-N 3.35Å
513	S	34.7	Very low	46.1	Very low	101 Å²	101	125 Å²	125	71%	0.706	75%	0.751	S	S	*	*			trans	-57.9	132.2	170.8	172.2	0	0	0	0	110.1	R515	S513-R515 PolarHBondContact O-N 2.92Å
514	S	36.4	Very low	47.8	Very low	121 Å²	121	128.2 Å²	128.2	85%	0.846	76%	0.756	S	S	*	*			trans	-68.6	71.2	173.8	40.7	0	0	0	0	111.1	V512 S516	V512-S514 PolarHBondContact O-N 3.35Å; S514-S516 PolarHBondContact O-N 3.36Å
515	R	40.8	Very low	49.6	Very low	222 Å²	222	124.2 Å²	124.2	84%	0.838	73%	0.734	S	S	*	*			trans	-66.5	107.1	179.5	-163.9	179.4	-163.4	176.8	6.1	109.5	S513	S513-R515 PolarHBondContact O-N 2.92Å
516	S	45.3	Very low	51.2	Low	101 Å²	101	130.2 Å²	130.2	71%	0.706	74%	0.74	S	S	*	*			trans	-57	140.6	-179.5	49.6	0	0	0	0	111.9	S514 I518	S514-S516 PolarHBondContact O-N 3.36Å; S516-I518 PolarHBondContact O-N 3.13Å
517	V	54.6	Low	51.9	Low	111 Å²	111	130.4 Å²	130.4	67%	0.673	73%	0.734	S	S	*	*			trans	-71	115.6	-179.8	178.6	0	0	0	0	108.9	H519	V517-H519 PolarHBondContact O-N 3.11Å; V517-H519 PolarHBondContact O-ND1 2.84Å
518	I	64.2	Low	54	Low	145 Å²	145	130 Å²	130	74%	0.744	73%	0.729	S	S	*	*			trans	-76.9	91.3	178.4	-54.7	176.1	0	0	0	108.7	S516	S516-I518 PolarHBondContact O-N 3.13Å
519	H	65.4	Low	56.1	Low	104 Å²	104	128.8 Å²	128.8	48%	0.481	72%	0.718	S	S	.	*			trans	-60.9	150.3	172.2	-64.6	88.9	0	0	0	111	V517 S525	V517-H519 PolarHBondContact O-N 3.11Å; V517-H519 PolarHBondContact O-ND1 2.84Å; H519-S525 VanDerWaalsContact NE2-CB 3.29Å; H519-S525 WeakPolarHBondContact NE2-CB 3.31Å
520	K	72.4	Confident	57.7	Low	146 Å²	146	127.1 Å²	127.1	64%	0.635	70%	0.704	S	S	*	*			trans	-85.9	154.8	173	-58.9	-61.4	-174.8	-179.7	0	109.4	F522 T523	K520-F522 PolarHBondContact O-N 2.82Å; K520-T523 HydrophobicContact CB-CG2 3.86Å; K520-T523 HydrophobicContact CG-CG2 4.24Å; K520-T523 PolarHBondContact N-OG1 2.7Å; K520-T523 PolarHBondContact O-N 3Å; K520-T523 VanDerWaalsContact O-N 3.12Å; K520-T523 PolarHBondContact O-OG1 2.88Å
521	P	68.8	Low	60	Low	118 Å²	118	128.3 Å²	128.3	77%	0.766	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.2	-15.8	-177.4	-27.8	36.1	0	0	0	116.1
522	F	71.3	Confident	61.4	Low	201 Å²	201	126.6 Å²	126.6	88%	0.882	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-128.7	17.2	-178.1	-51.4	-67.1	0	0	0	113.3	K520	K520-F522 PolarHBondContact O-N 2.82Å
523	T	77.1	Confident	62.9	Low	75 Å²	75	126.7 Å²	126.7	46%	0.46	67%	0.67	S	S	.	*			trans	-99.4	115.1	172.4	49.6	0	0	0	0	110.2	K520 S525	K520-T523 HydrophobicContact CB-CG2 3.86Å; K520-T523 HydrophobicContact CG-CG2 4.24Å; K520-T523 PolarHBondContact N-OG1 2.7Å; K520-T523 PolarHBondContact O-N 3Å; K520-T523 VanDerWaalsContact O-N 3.12Å; K520-T523 PolarHBondContact O-OG1 2.88Å; T523-S525 PolarHBondContact O-N 2.98Å
524	Q	64.3	Low	64.7	Low	158 Å²	158	126.6 Å²	126.6	74%	0.738	66%	0.659	S	S	*	*			trans	-60.7	128.7	166.9	-69.9	172	-19.5	0	0	109.4	I527	Q524-I527 HydrophobicContact CB-CD1 3.99Å; Q524-I527 HydrophobicContact CB-CG1 3.74Å
525	S	63.6	Low	66.7	Low	63 Å²	63	125.8 Å²	125.8	44%	0.441	65%	0.65	S	S	.	*	S	Bend	trans	-90	145.4	173.4	62.4	0	0	0	0	109.7	H519 T523 I527	H519-S525 VanDerWaalsContact NE2-CB 3.29Å; H519-S525 WeakPolarHBondContact NE2-CB 3.31Å; T523-S525 PolarHBondContact O-N 2.98Å; S525-I527 PolarHBondContact O-N 2.85Å
526	R	67	Low	68.8	Low	236 Å²	236	115.9 Å²	115.9	89%	0.891	62%	0.616	S	S	*	*	S	Bend	trans	54.5	42.8	179.4	-59.5	-178.4	-73.6	-163.7	-1.2	114.4	P528	R526-P528 WeakPolarHBondContact O-CD 3.35Å
527	I	66.3	Low	70.8	Confident	112 Å²	112	111.9 Å²	111.9	57%	0.574	59%	0.588	S	S	*	*	P	Polyproline II helix	trans	-57.9	128	160	-51.8	178	0	0	0	107.3	Q524 S525	Q524-I527 HydrophobicContact CB-CD1 3.99Å; Q524-I527 HydrophobicContact CB-CG1 3.74Å; S525-I527 PolarHBondContact O-N 2.85Å
528	P	74.3	Confident	72.2	Confident	103 Å²	103	114.6 Å²	114.6	67%	0.669	59%	0.586	S	S	*	*	P	Polyproline II helix	trans	-56.9	148.7	173.8	-25.4	35.4	0	0	0	111.6	R526 D530	R526-P528 WeakPolarHBondContact O-CD 3.35Å; P528-D530 PolarHBondContact O-N 3.04Å
529	P	71.1	Confident	73.1	Confident	99 Å²	99	115.4 Å²	115.4	64%	0.643	59%	0.587	S	S	*	*	P	Polyproline II helix	trans	-63.4	126.9	176.3	28.6	-34.5	0	0	0	109.7	L531	P529-L531 HydrophobicContact CB-CD1 4.28Å; P529-L531 HydrophobicContact CB-CG 4.14Å; P529-L531 HydrophobicContact CG-CD1 4.04Å; P529-L531 HydrophobicContact CG-CG 4.37Å; P529-L531 PolarHBondContact O-N 3.33Å
530	D	72.2	Confident	74.2	Confident	121 Å²	121	112.8 Å²	112.8	65%	0.647	58%	0.575	S	S	*	*			trans	-73.6	67	-176.1	174	19.2	0	0	0	111.4	K462 P528	K462-D530 VanDerWaalsContact CE-CG 3.48Å; K462-D530 WeakPolarHBondContact CE-OD1 3.36Å; K462-D530 VanDerWaalsContact CE-OD2 3.27Å; K462-D530 WeakPolarHBondContact CE-OD2 3.41Å; K462-D530 PolarHBondContact NZ-O 3.39Å; K462-D530 IonicContact NZ-OD1 3.84Å; K462-D530 PolarHBondContact NZ-OD1 3.15Å; K462-D530 IonicContact NZ-OD2 2.69Å; K462-D530 PolarHBondContact NZ-OD2 3.33Å; P528-D530 PolarHBondContact O-N 3.04Å
531	L	75.2	Confident	75.1	Confident	110 Å²	110	109 Å²	109	58%	0.576	56%	0.564	S	S	*	*			trans	-91.7	142.5	179	-64.3	172.9	0	0	0	110.2	P529 M533	P529-L531 HydrophobicContact CB-CD1 4.28Å; P529-L531 HydrophobicContact CB-CG 4.14Å; P529-L531 HydrophobicContact CG-CD1 4.04Å; P529-L531 HydrophobicContact CG-CG 4.37Å; P529-L531 PolarHBondContact O-N 3.33Å; L531-M533 HydrophobicContact CB-CG 4.46Å; L531-M533 PolarHBondContact O-N 3.39Å; L531-M533 VanDerWaalsContact O-N 3.1Å
532	P	69.9	Low	76.1	Confident	73 Å²	73	111.7 Å²	111.7	47%	0.474	57%	0.567	S	S	.	*			trans	-71.4	105.9	176.4	31.8	-35.1	0	0	0	109.9	K462 V464	K462-P532 HydrophobicContact CB-CB 3.8Å; V464-P532 HydrophobicContact CG2-CB 3.94Å
533	M	66.6	Low	77.1	Confident	140 Å²	140	109.8 Å²	109.8	69%	0.69	56%	0.561	S	S	*	*			trans	-116.2	166.3	-177.9	-68.8	-176	74.7	0	0	111.5	L531 A536	L531-M533 HydrophobicContact CB-CG 4.46Å; L531-M533 PolarHBondContact O-N 3.39Å; L531-M533 VanDerWaalsContact O-N 3.1Å; M533-A536 WeakPolarHBondContact O-CB 3.28Å
534	H	70.9	Confident	77.8	Confident	99 Å²	99	111.3 Å²	111.3	46%	0.458	56%	0.563	S	S	.	*	S	Bend	trans	-84.7	148.2	174	-72	-22.7	0	0	0	112.5	V464 T466 S467	V464-H534 WeakPolarHBondContact CG1-CE1 3.43Å; T466-H534 PolarHBondContact O-CE1 2.7Å; T466-H534 PolarHBondContact O-NE2 3.12Å; S467-H534 WeakPolarHBondContact CB-NE2 3.49Å; S467-H534 PolarHBondContact OG-CE1 3.2Å; S467-H534 PolarHBondContact OG-NE2 2.7Å
535	P	80.3	Confident	79.1	Confident	104 Å²	104	105.6 Å²	105.6	68%	0.675	54%	0.537	S	S	*	.	S	Bend	cis	-85.7	138.3	-1.8	34.1	-33.8	0	0	0	112.8	F458	F458-P535 HydrophobicContact CD2-CB 4.33Å; F458-P535 HydrophobicContact CE2-CB 4.11Å
536	A	85	Confident	80.5	Confident	14 Å²	14	105.9 Å²	105.9	12%	0.116	54%	0.539	C	S	.	.			trans	-146	159	178.3	0	0	0	0	0	111.7	F458 S461 K462 V464 M533	F458-A536 VanDerWaalsContact CE2-C 3.43Å; S461-A536 WeakPolarHBondContact OG-CA 3.34Å; S461-A536 WeakPolarHBondContact OG-CB 3.42Å; K462-A536 WeakPolarHBondContact O-CB 3.46Å; V464-A536 HydrophobicContact CB-CB 4.48Å; V464-A536 HydrophobicContact CG2-CB 3.93Å; M533-A536 WeakPolarHBondContact O-CB 3.28Å
537	P	86.1	Confident	81.9	Confident	18 Å²	18	99 Å²	99	12%	0.117	52%	0.523	C	S	.	.			trans	-65.2	152.3	173.4	27.2	-34.3	0	0	0	111.2	F458 S461 P463 V464 I540	F458-P537 HydrophobicContact CE1-CB 4.36Å; F458-P537 HydrophobicContact CZ-CB 4.44Å; F458-P537 WeakPolarHBondContact O-CD 3.48Å; S461-P537 VanDerWaalsContact OG-CD 3.25Å; S461-P537 WeakPolarHBondContact OG-CD 3.48Å; P463-P537 WeakPolarHBondContact CA-O 3.43Å; P463-P537 WeakPolarHBondContact CB-O 3.49Å; P463-P537 HydrophobicContact CG-CG 4.49Å; V464-P537 PolarHBondContact N-O 3.2Å; V464-P537 VanDerWaalsContact N-O 3.13Å; P537-I540 HydrophobicContact CG-CG2 4.4Å
538	R	83.4	Confident	83.2	Confident	168 Å²	168	97.1 Å²	97.1	63%	0.634	51%	0.514	S	S	*	.	S	Bend	trans	-81.5	-28.1	178.8	-69.7	-179.3	176.7	166.1	-0.9	113.6
539	H	83.9	Confident	84.1	Confident	162 Å²	162	96.1 Å²	96.1	75%	0.75	50%	0.5	S	S	*	.			trans	-163.8	138.5	-179.2	46.9	61	0	0	0	109.1
540	I	89.4	Confident	85.2	Confident	48 Å²	48	95 Å²	95	25%	0.246	50%	0.495	C	S	.	.			trans	-157.2	141.9	174.8	-173.2	168.7	0	0	0	107.4	P463 P537 E544 L545 L548	P463-I540 HydrophobicContact CG-CG2 3.9Å; P537-I540 HydrophobicContact CG-CG2 4.4Å; I540-E544 HydrophobicContact CG1-CB 4.1Å; I540-L545 HydrophobicContact CD1-CB 3.86Å; I540-L545 HydrophobicContact CD1-CD1 4.1Å; I540-L545 HydrophobicContact CG1-CB 4.2Å; I540-L548 HydrophobicContact CD1-CD1 4.03Å
541	T	91.2	Very high	86.3	Confident	66 Å²	66	90.7 Å²	90.7	41%	0.405	47%	0.473	S	S	.	.			trans	-88.2	154.7	171.9	60.5	0	0	0	0	111.2	E543 E544 L545	T541-E543 PolarHBondContact O-N 2.7Å; T541-E544 WeakPolarHBondContact CB-OE2 3.46Å; T541-E544 WeakPolarHBondContact CG2-OE2 3.41Å; T541-E544 PolarHBondContact N-OE2 3.39Å; T541-E544 PolarHBondContact O-N 3.02Å; T541-E544 WeakPolarHBondContact OG1-CB 3.3Å; T541-E544 WeakPolarHBondContact OG1-CG 3.47Å; T541-E544 PolarHBondContact OG1-N 2.73Å; T541-E544 VanDerWaalsContact OG1-N 3.13Å; T541-E544 PolarHBondContact OG1-OE2 2.85Å; T541-L545 WeakPolarHBondContact O-CB 3.4Å; T541-L545 PolarHBondContact O-N 3.26Å
542	E	88.8	Confident	87.3	Confident	175 Å²	175	86.3 Å²	86.3	82%	0.818	45%	0.451	S	S	*	.	H	α-helix	trans	-58.5	-31.6	174.5	-63	-177.5	168.1	0	0	111.8	S546	E542-S546 WeakPolarHBondContact O-CB 3.29Å; E542-S546 PolarHBondContact O-N 3.2Å
543	E	92	Very high	88.5	Confident	161 Å²	161	88.1 Å²	88.1	75%	0.752	45%	0.453	S	S	*	.	H	α-helix	trans	-70.8	-44	178.5	-61.3	171	159.4	0	0	111.5	T541 V547	T541-E543 PolarHBondContact O-N 2.7Å; E543-V547 WeakPolarHBondContact O-CG2 3.43Å; E543-V547 PolarHBondContact O-N 3.28Å
544	E	91.6	Very high	89.9	Confident	108 Å²	108	87.1 Å²	87.1	51%	0.505	44%	0.441	S	S	.	.	H	α-helix	trans	-66.3	-41.6	172	-72.4	162.6	134.8	0	0	112	I540 T541 V547 L548	I540-E544 HydrophobicContact CG1-CB 4.1Å; T541-E544 WeakPolarHBondContact CB-OE2 3.46Å; T541-E544 WeakPolarHBondContact CG2-OE2 3.41Å; T541-E544 PolarHBondContact N-OE2 3.39Å; T541-E544 PolarHBondContact O-N 3.02Å; T541-E544 WeakPolarHBondContact OG1-CB 3.3Å; T541-E544 WeakPolarHBondContact OG1-CG 3.47Å; T541-E544 PolarHBondContact OG1-N 2.73Å; T541-E544 VanDerWaalsContact OG1-N 3.13Å; T541-E544 PolarHBondContact OG1-OE2 2.85Å; E544-V547 PolarHBondContact O-N 2.83Å; E544-L548 WeakPolarHBondContact O-CG 3.46Å; E544-L548 PolarHBondContact O-N 2.68Å
545	L	92.1	Very high	91.2	Very high	38 Å²	38	88.1 Å²	88.1	20%	0.199	44%	0.441	C	S	.	.	H	α-helix	trans	-60.8	-49.7	178.1	177.9	57	0	0	0	110.8	I540 T541 V547 L548 E549	I540-L545 HydrophobicContact CD1-CB 3.86Å; I540-L545 HydrophobicContact CD1-CD1 4.1Å; I540-L545 HydrophobicContact CG1-CB 4.2Å; T541-L545 WeakPolarHBondContact O-CB 3.4Å; T541-L545 PolarHBondContact O-N 3.26Å; L545-V547 VanDerWaalsContact C-N 3.26Å; L545-V547 PolarHBondContact O-N 2.9Å; L545-L548 CarbonylContact O-C 3.52Å; L545-L548 PolarHBondContact O-N 3.13Å; L545-E549 HydrophobicContact CD1-CG 4.02Å; L545-E549 HydrophobicContact CG-CG 4.28Å; L545-E549 WeakPolarHBondContact O-CG 3.36Å; L545-E549 PolarHBondContact O-N 3.21Å
546	S	93.2	Very high	92	Very high	68 Å²	68	86.3 Å²	86.3	48%	0.476	42%	0.421	S	S	.	.	H	α-helix	trans	-61.9	-33.1	178.6	-168.5	0	0	0	0	112.9	E542 S550	E542-S546 WeakPolarHBondContact O-CB 3.29Å; E542-S546 PolarHBondContact O-N 3.2Å; S546-S550 WeakPolarHBondContact O-CB 3.22Å; S546-S550 PolarHBondContact O-N 2.95Å
547	V	95.6	Very high	92.5	Very high	92 Å²	92	88.3 Å²	88.3	56%	0.558	43%	0.432	S	S	*	.	H	α-helix	trans	-68.8	-41.1	172.5	169.5	0	0	0	0	111.5	E543 E544 L545 C551	E543-V547 WeakPolarHBondContact O-CG2 3.43Å; E543-V547 PolarHBondContact O-N 3.28Å; E544-V547 PolarHBondContact O-N 2.83Å; L545-V547 VanDerWaalsContact C-N 3.26Å; L545-V547 PolarHBondContact O-N 2.9Å; V547-C551 WeakPolarHBondContact O-CB 3.46Å; V547-C551 PolarHBondContact O-N 3.48Å; V547-C551 PolarHBondContact O-SG 3.48Å
548	L	94	Very high	93.1	Very high	73 Å²	73	91.8 Å²	91.8	38%	0.382	45%	0.446	S	S	.	.	H	α-helix	trans	-68	-46	176.5	-73.8	173.3	0	0	0	111.9	A459 I540 E544 L545 S550 C551 L552	A459-L548 HydrophobicContact CB-CD1 4.31Å; I540-L548 HydrophobicContact CD1-CD1 4.03Å; E544-L548 WeakPolarHBondContact O-CG 3.46Å; E544-L548 PolarHBondContact O-N 2.68Å; L545-L548 CarbonylContact O-C 3.52Å; L545-L548 PolarHBondContact O-N 3.13Å; L548-S550 PolarHBondContact O-N 3.32Å; L548-C551 PolarHBondContact O-N 3.09Å; L548-L552 HydrophobicContact CB-CD1 4.4Å; L548-L552 VanDerWaalsContact O-CB 3.25Å; L548-L552 WeakPolarHBondContact O-CB 3.39Å; L548-L552 VanDerWaalsContact O-CG 3.28Å; L548-L552 WeakPolarHBondContact O-CG 3.27Å; L548-L552 PolarHBondContact O-N 2.95Å
549	E	93.1	Very high	93.7	Very high	81 Å²	81	85 Å²	85	38%	0.379	42%	0.422	S	S	.	.	H	α-helix	trans	-53	-53.7	172.5	-72.2	176.3	159.4	0	0	110.8	L456 L545 C551 H553	L456-E549 HydrophobicContact CD1-CB 4.36Å; L456-E549 HydrophobicContact CD1-CG 4.01Å; L545-E549 HydrophobicContact CD1-CG 4.02Å; L545-E549 HydrophobicContact CG-CG 4.28Å; L545-E549 WeakPolarHBondContact O-CG 3.36Å; L545-E549 PolarHBondContact O-N 3.21Å; E549-C551 VanDerWaalsContact C-N 3.34Å; E549-C551 PolarHBondContact O-N 3.4Å; E549-H553 WeakPolarHBondContact O-CB 3.48Å; E549-H553 PolarHBondContact O-N 3.46Å
550	S	94.3	Very high	94.3	Very high	76 Å²	76	80.1 Å²	80.1	53%	0.531	40%	0.4	S	S	.	.	H	α-helix	trans	-61.9	-37.9	-179.6	-175.8	0	0	0	0	113.1	S546 L548 R554	S546-S550 WeakPolarHBondContact O-CB 3.22Å; S546-S550 PolarHBondContact O-N 2.95Å; L548-S550 PolarHBondContact O-N 3.32Å; S550-R554 WeakPolarHBondContact O-CB 3.39Å; S550-R554 PolarHBondContact O-N 3.06Å
551	C	96.6	Very high	94.6	Very high	30 Å²	30	80.8 Å²	80.8	20%	0.203	40%	0.404	C	S	.	.	H	α-helix	trans	-75.4	-53	178.2	-66.3	0	0	0	0	112.6	V547 L548 E549 W555	V547-C551 WeakPolarHBondContact O-CB 3.46Å; V547-C551 PolarHBondContact O-N 3.48Å; V547-C551 PolarHBondContact O-SG 3.48Å; L548-C551 PolarHBondContact O-N 3.09Å; E549-C551 VanDerWaalsContact C-N 3.34Å; E549-C551 PolarHBondContact O-N 3.4Å; C551-W555 HydrophobicContact CB-CD2 4.49Å; C551-W555 HydrophobicContact CB-CE3 4.15Å; C551-W555 HydrophobicContact CB-CH2 3.99Å; C551-W555 HydrophobicContact CB-CZ2 4.34Å; C551-W555 HydrophobicContact CB-CZ3 3.89Å; C551-W555 WeakPolarHBondContact O-CB 3.4Å; C551-W555 VanDerWaalsContact O-CD2 3.24Å; C551-W555 PolarHBondContact O-N 3.05Å
552	L	95.1	Very high	94.9	Very high	19 Å²	19	80.8 Å²	80.8	10%	0.099	40%	0.401	C	S	.	.	H	α-helix	trans	-66.9	-42.3	-175.8	-65.8	173.1	0	0	0	111.5	L452 A455 L456 L548 W555 R556	L452-L552 HydrophobicContact CD2-CD2 3.77Å; A455-L552 HydrophobicContact CB-CD1 4.48Å; L456-L552 HydrophobicContact CB-CB 4.23Å; L456-L552 HydrophobicContact CB-CD1 4Å; L456-L552 HydrophobicContact CD1-CB 4.34Å; L456-L552 HydrophobicContact CD1-CD1 4.26Å; L548-L552 HydrophobicContact CB-CD1 4.4Å; L548-L552 VanDerWaalsContact O-CB 3.25Å; L548-L552 WeakPolarHBondContact O-CB 3.39Å; L548-L552 VanDerWaalsContact O-CG 3.28Å; L548-L552 WeakPolarHBondContact O-CG 3.27Å; L548-L552 PolarHBondContact O-N 2.95Å; L552-W555 HydrophobicContact CD2-CE3 4.19Å; L552-W555 HydrophobicContact CD2-CZ3 4.37Å; L552-W555 PolarHBondContact O-N 3.11Å; L552-R556 VanDerWaalsContact O-CB 3.27Å; L552-R556 WeakPolarHBondContact O-CB 3.32Å; L552-R556 PolarHBondContact O-N 2.86Å
553	H	94.9	Very high	95.3	Very high	111 Å²	111	73.1 Å²	73.1	51%	0.514	37%	0.367	S	S	.	.	H	α-helix	trans	-67.2	-43.3	178.5	-171.2	38.8	0	0	0	111.6	L456 E549 R556 T557	L456-H553 HydrophobicContact CD2-CB 4.3Å; E549-H553 WeakPolarHBondContact O-CB 3.48Å; E549-H553 PolarHBondContact O-N 3.46Å; H553-R556 PolarHBondContact O-N 3.1Å; H553-T557 PolarHBondContact O-N 3.29Å; H553-T557 PolarHBondContact O-OG1 3.47Å
554	R	97.4	Very high	95.5	Very high	119 Å²	119	70.2 Å²	70.2	45%	0.449	35%	0.349	S	S	.	.	H	α-helix	trans	-59.4	-51	173.5	-177.3	-168.6	64.5	-136.3	-16.9	111.1	S550 R556 T557 E558	S550-R554 WeakPolarHBondContact O-CB 3.39Å; S550-R554 PolarHBondContact O-N 3.06Å; R554-R556 VanDerWaalsContact C-N 3.33Å; R554-R556 PolarHBondContact O-N 3.04Å; R554-T557 PolarHBondContact O-N 2.84Å; R554-E558 VanDerWaalsContact CD-OE1 3.26Å; R554-E558 WeakPolarHBondContact CD-OE1 3.3Å; R554-E558 HydrophobicContact CG-CG 4.38Å; R554-E558 VanDerWaalsContact CG-OE1 3.27Å; R554-E558 WeakPolarHBondContact CG-OE1 3.23Å; R554-E558 IonicContact NE-OE1 3.82Å; R554-E558 WeakPolarHBondContact O-CG 3.46Å; R554-E558 PolarHBondContact O-N 2.87Å
555	W	97.9	Very high	95.7	Very high	119 Å²	119	68.7 Å²	68.7	45%	0.451	34%	0.344	S	S	.	.	H	α-helix	trans	-61.2	-42.3	179.3	-68.3	-34.5	0	0	0	111.5	L452 C551 L552 T557 E558 I559	L452-W555 HydrophobicContact CD1-CB 4.17Å; C551-W555 HydrophobicContact CB-CD2 4.49Å; C551-W555 HydrophobicContact CB-CE3 4.15Å; C551-W555 HydrophobicContact CB-CH2 3.99Å; C551-W555 HydrophobicContact CB-CZ2 4.34Å; C551-W555 HydrophobicContact CB-CZ3 3.89Å; C551-W555 WeakPolarHBondContact O-CB 3.4Å; C551-W555 VanDerWaalsContact O-CD2 3.24Å; C551-W555 PolarHBondContact O-N 3.05Å; L552-W555 HydrophobicContact CD2-CE3 4.19Å; L552-W555 HydrophobicContact CD2-CZ3 4.37Å; L552-W555 PolarHBondContact O-N 3.11Å; W555-T557 VanDerWaalsContact C-N 3.34Å; W555-T557 PolarHBondContact O-N 3.08Å; W555-E558 WeakPolarHBondContact O-CB 3.3Å; W555-E558 PolarHBondContact O-N 3.21Å; W555-E558 VanDerWaalsContact O-N 3.16Å; W555-I559 VanDerWaalsContact O-CG1 3.3Å; W555-I559 WeakPolarHBondContact O-CG1 3.39Å; W555-I559 PolarHBondContact O-N 3.08Å
556	R	96.8	Very high	96	Very high	66 Å²	66	67.3 Å²	67.3	25%	0.249	34%	0.337	C	S	.	.	H	α-helix	trans	-54.5	-51.1	175.2	-174.9	-170.7	154.9	168.5	2.2	110.6	V449 L452 L552 H553 R554 E558 I559 E560	V449-R556 HydrophobicContact CG1-CG 4.01Å; L452-R556 HydrophobicContact CB-CB 4.33Å; L452-R556 HydrophobicContact CD1-CB 4.48Å; L552-R556 VanDerWaalsContact O-CB 3.27Å; L552-R556 WeakPolarHBondContact O-CB 3.32Å; L552-R556 PolarHBondContact O-N 2.86Å; H553-R556 PolarHBondContact O-N 3.1Å; R554-R556 VanDerWaalsContact C-N 3.33Å; R554-R556 PolarHBondContact O-N 3.04Å; R556-E558 PolarHBondContact O-N 2.87Å; R556-I559 PolarHBondContact O-N 3.48Å; R556-E560 HydrophobicContact CG-CG 4.43Å; R556-E560 IonicContact CZ-OE1 2.74Å; R556-E560 IonicContact NE-OE1 2.87Å; R556-E560 PolarHBondContact NE-OE1 2.96Å; R556-E560 IonicContact NE-OE2 3.7Å; R556-E560 IonicContact NH2-OE1 2.42Å; R556-E560 PolarHBondContact NH2-OE1 3.09Å; R556-E560 WeakPolarHBondContact O-CB 3.4Å; R556-E560 VanDerWaalsContact O-CG 3.3Å; R556-E560 WeakPolarHBondContact O-CG 3.38Å; R556-E560 PolarHBondContact O-N 3.5Å
557	T	95.7	Very high	96.1	Very high	57 Å²	57	68.2 Å²	68.2	35%	0.35	33%	0.333	S	S	.	.	H	α-helix	trans	-65.9	-35.1	178	-61.6	0	0	0	0	113	H553 R554 W555 N561	H553-T557 PolarHBondContact O-N 3.29Å; H553-T557 PolarHBondContact O-OG1 3.47Å; R554-T557 PolarHBondContact O-N 2.84Å; W555-T557 VanDerWaalsContact C-N 3.34Å; W555-T557 PolarHBondContact O-N 3.08Å; T557-N561 WeakPolarHBondContact O-CB 3.48Å; T557-N561 VanDerWaalsContact O-CG 3.22Å; T557-N561 PolarHBondContact O-N 3.23Å; T557-N561 PolarHBondContact O-ND2 2.58Å
558	E	97.4	Very high	96.2	Very high	91 Å²	91	67.8 Å²	67.8	43%	0.425	33%	0.325	S	S	.	.	H	α-helix	trans	-61.1	-44.2	171.1	-73.5	168.3	-177.7	0	0	111.3	R554 W555 R556 N561 D562	R554-E558 VanDerWaalsContact CD-OE1 3.26Å; R554-E558 WeakPolarHBondContact CD-OE1 3.3Å; R554-E558 HydrophobicContact CG-CG 4.38Å; R554-E558 VanDerWaalsContact CG-OE1 3.27Å; R554-E558 WeakPolarHBondContact CG-OE1 3.23Å; R554-E558 IonicContact NE-OE1 3.82Å; R554-E558 WeakPolarHBondContact O-CG 3.46Å; R554-E558 PolarHBondContact O-N 2.87Å; W555-E558 WeakPolarHBondContact O-CB 3.3Å; W555-E558 PolarHBondContact O-N 3.21Å; W555-E558 VanDerWaalsContact O-N 3.16Å; R556-E558 PolarHBondContact O-N 2.87Å; E558-N561 PolarHBondContact O-N 3.26Å; E558-D562 PolarHBondContact O-N 3.36Å
559	I	97.3	Very high	96.4	Very high	24 Å²	24	66 Å²	66	12%	0.123	32%	0.319	C	S	.	.	H	α-helix	trans	-70.5	-39.8	178.2	-58.9	-39.6	0	0	0	112.4	Y436 L448 V449 L452 W555 R556 N561 D562 T563	Y436-I559 HydrophobicContact CD1-CD1 4.17Å; Y436-I559 HydrophobicContact CD1-CG2 3.75Å; Y436-I559 HydrophobicContact CE1-CD1 3.88Å; Y436-I559 HydrophobicContact CE1-CG2 4.44Å; Y436-I559 HydrophobicContact CG-CG2 4.47Å; L448-I559 HydrophobicContact CB-CG2 4.38Å; L448-I559 HydrophobicContact CD2-CD1 4.14Å; L448-I559 HydrophobicContact CD2-CG1 3.91Å; L448-I559 HydrophobicContact CD2-CG2 4.34Å; L448-I559 HydrophobicContact CG-CG1 4.27Å; L448-I559 HydrophobicContact CG-CG2 4.4Å; V449-I559 HydrophobicContact CG2-CB 4.32Å; V449-I559 HydrophobicContact CG2-CG2 3.71Å; L452-I559 HydrophobicContact CD1-CG1 4.01Å; W555-I559 VanDerWaalsContact O-CG1 3.3Å; W555-I559 WeakPolarHBondContact O-CG1 3.39Å; W555-I559 PolarHBondContact O-N 3.08Å; R556-I559 PolarHBondContact O-N 3.48Å; I559-N561 VanDerWaalsContact C-N 3.26Å; I559-N561 PolarHBondContact O-N 3.1Å; I559-D562 PolarHBondContact O-N 2.87Å; I559-T563 VanDerWaalsContact O-CB 3.24Å; I559-T563 WeakPolarHBondContact O-CB 3.12Å; I559-T563 PolarHBondContact O-N 2.88Å; I559-T563 PolarHBondContact O-OG1 2.78Å
560	E	95.8	Very high	96.5	Very high	60 Å²	60	62.8 Å²	62.8	28%	0.28	31%	0.305	S	S	.	.	H	α-helix	trans	-61	-36.7	175	-73.9	169.8	149.3	0	0	111.5	V449 R556 R564	V449-E560 HydrophobicContact CG1-CG 3.77Å; V449-E560 HydrophobicContact CG2-CG 3.92Å; R556-E560 HydrophobicContact CG-CG 4.43Å; R556-E560 IonicContact CZ-OE1 2.74Å; R556-E560 IonicContact NE-OE1 2.87Å; R556-E560 PolarHBondContact NE-OE1 2.96Å; R556-E560 IonicContact NE-OE2 3.7Å; R556-E560 IonicContact NH2-OE1 2.42Å; R556-E560 PolarHBondContact NH2-OE1 3.09Å; R556-E560 WeakPolarHBondContact O-CB 3.4Å; R556-E560 VanDerWaalsContact O-CG 3.3Å; R556-E560 WeakPolarHBondContact O-CG 3.38Å; R556-E560 PolarHBondContact O-N 3.5Å; E560-R564 WeakPolarHBondContact O-CB 3.32Å; E560-R564 PolarHBondContact O-N 2.8Å
561	N	96.8	Very high	96.6	Very high	62 Å²	62	62.6 Å²	62.6	33%	0.332	30%	0.303	S	S	.	.	H	α-helix	trans	-69.9	-52.8	172.7	-71.9	-42.9	0	0	0	112.2	T557 E558 I559 T563 R564 D565	T557-N561 WeakPolarHBondContact O-CB 3.48Å; T557-N561 VanDerWaalsContact O-CG 3.22Å; T557-N561 PolarHBondContact O-N 3.23Å; T557-N561 PolarHBondContact O-ND2 2.58Å; E558-N561 PolarHBondContact O-N 3.26Å; I559-N561 VanDerWaalsContact C-N 3.26Å; I559-N561 PolarHBondContact O-N 3.1Å; N561-T563 VanDerWaalsContact C-N 3.25Å; N561-T563 PolarHBondContact O-N 2.76Å; N561-R564 PolarHBondContact O-N 3.47Å; N561-R564 VanDerWaalsContact OD1-CZ 3.28Å; N561-R564 PolarHBondContact OD1-NH1 3.49Å; N561-R564 PolarHBondContact OD1-NH2 3.39Å; N561-D565 WeakPolarHBondContact O-CB 3.49Å; N561-D565 VanDerWaalsContact O-CG 3.26Å; N561-D565 PolarHBondContact O-N 2.56Å
562	D	97.1	Very high	96.6	Very high	66 Å²	66	67.2 Å²	67.2	35%	0.353	32%	0.316	S	S	.	.	H	α-helix	trans	-52.7	-44	177.2	-104.2	4.8	0	0	0	111.8	Y436 E558 I559 L566	Y436-D562 HydrophobicContact CE1-CB 4.28Å; Y436-D562 PolarHBondContact OH-OD2 2.88Å; E558-D562 PolarHBondContact O-N 3.36Å; I559-D562 PolarHBondContact O-N 2.87Å; D562-L566 WeakPolarHBondContact O-CB 3.28Å; D562-L566 WeakPolarHBondContact O-CG 3.47Å; D562-L566 PolarHBondContact O-N 3.21Å
563	T	96.1	Very high	96.7	Very high	15 Å²	15	67.1 Å²	67.1	9%	0.092	32%	0.315	C	S	.	.	H	α-helix	trans	-64.6	-49.5	-178.5	-58.8	0	0	0	0	111.3	L433 L437 I559 N561 L566 Q567	L433-T563 HydrophobicContact CD1-CG2 3.73Å; L437-T563 HydrophobicContact CD2-CG2 4.31Å; I559-T563 VanDerWaalsContact O-CB 3.24Å; I559-T563 WeakPolarHBondContact O-CB 3.12Å; I559-T563 PolarHBondContact O-N 2.88Å; I559-T563 PolarHBondContact O-OG1 2.78Å; N561-T563 VanDerWaalsContact C-N 3.25Å; N561-T563 PolarHBondContact O-N 2.76Å; T563-L566 PolarHBondContact O-N 2.74Å; T563-Q567 VanDerWaalsContact O-CG 3.27Å; T563-Q567 WeakPolarHBondContact O-CG 3.42Å; T563-Q567 PolarHBondContact O-N 3.46Å
564	R	96.6	Very high	96.7	Very high	100 Å²	100	65 Å²	65	38%	0.377	31%	0.306	S	S	.	.	H	α-helix	trans	-64.8	-45.4	177.6	-177.8	-165.1	62.5	-110.6	-11.9	111.6	E560 N561 L566 Q567 E568	E560-R564 WeakPolarHBondContact O-CB 3.32Å; E560-R564 PolarHBondContact O-N 2.8Å; N561-R564 PolarHBondContact O-N 3.47Å; N561-R564 VanDerWaalsContact OD1-CZ 3.28Å; N561-R564 PolarHBondContact OD1-NH1 3.49Å; N561-R564 PolarHBondContact OD1-NH2 3.39Å; R564-L566 VanDerWaalsContact C-N 3.27Å; R564-L566 PolarHBondContact O-N 2.94Å; R564-Q567 WeakPolarHBondContact O-CB 3.38Å; R564-Q567 PolarHBondContact O-N 2.92Å; R564-Q567 VanDerWaalsContact O-N 3.13Å; R564-E568 WeakPolarHBondContact O-CG 3.11Å; R564-E568 PolarHBondContact O-N 3.14Å
565	D	97.1	Very high	96.5	Very high	75 Å²	75	67.6 Å²	67.6	40%	0.401	32%	0.315	S	S	.	.	H	α-helix	trans	-66.1	-31.5	-177.9	-69.9	14.2	0	0	0	111.4	N561 S569	N561-D565 WeakPolarHBondContact O-CB 3.49Å; N561-D565 VanDerWaalsContact O-CG 3.26Å; N561-D565 PolarHBondContact O-N 2.56Å; D565-S569 VanDerWaalsContact O-CB 3.31Å; D565-S569 WeakPolarHBondContact O-CB 3.35Å; D565-S569 PolarHBondContact O-N 2.6Å; D565-S569 VanDerWaalsContact O-N 3.16Å; D565-S569 PolarHBondContact O-OG 3.01Å
566	L	96.8	Very high	96.4	Very high	9 Å²	9	65.3 Å²	65.3	5%	0.047	32%	0.315	C	S	.	.	H	α-helix	trans	-68.1	-48.4	168.2	-76.7	170.5	0	0	0	112.3	L429 R432 L433 Y436 D562 T563 R564 E568 S569 I570	L429-L566 HydrophobicContact CB-CD2 4.46Å; L429-L566 HydrophobicContact CD2-CD2 3.9Å; R432-L566 HydrophobicContact CB-CD1 4.23Å; R432-L566 HydrophobicContact CB-CD2 4.45Å; L433-L566 HydrophobicContact CB-CD1 4.44Å; L433-L566 HydrophobicContact CD1-CB 4.42Å; Y436-L566 HydrophobicContact CD2-CD1 4.05Å; Y436-L566 HydrophobicContact CE2-CD1 3.6Å; D562-L566 WeakPolarHBondContact O-CB 3.28Å; D562-L566 WeakPolarHBondContact O-CG 3.47Å; D562-L566 PolarHBondContact O-N 3.21Å; T563-L566 PolarHBondContact O-N 2.74Å; R564-L566 VanDerWaalsContact C-N 3.27Å; R564-L566 PolarHBondContact O-N 2.94Å; L566-E568 PolarHBondContact O-N 3.12Å; L566-S569 PolarHBondContact O-N 3.28Å; L566-S569 VanDerWaalsContact O-N 3.12Å; L566-I570 WeakPolarHBondContact O-CG1 3.45Å; L566-I570 PolarHBondContact O-N 2.95Å
567	Q	96.9	Very high	96.3	Very high	87 Å²	87	63.7 Å²	63.7	41%	0.407	31%	0.311	S	S	.	.	H	α-helix	trans	-58.9	-45.6	177.7	-75	168.8	-14.7	0	0	112.1	L433 T563 R564 S569 I570 S571	L433-Q567 HydrophobicContact CD1-CG 4.08Å; L433-Q567 HydrophobicContact CD2-CG 3.78Å; T563-Q567 VanDerWaalsContact O-CG 3.27Å; T563-Q567 WeakPolarHBondContact O-CG 3.42Å; T563-Q567 PolarHBondContact O-N 3.46Å; R564-Q567 WeakPolarHBondContact O-CB 3.38Å; R564-Q567 PolarHBondContact O-N 2.92Å; R564-Q567 VanDerWaalsContact O-N 3.13Å; Q567-S569 VanDerWaalsContact C-N 3.3Å; Q567-S569 PolarHBondContact O-N 2.73Å; Q567-I570 PolarHBondContact O-N 2.72Å; Q567-S571 PolarHBondContact O-N 2.95Å; Q567-S571 PolarHBondContact O-OG 2.91Å
568	E	96.6	Very high	96.1	Very high	83 Å²	83	67.5 Å²	67.5	39%	0.388	32%	0.324	S	S	.	.	H	α-helix	trans	-60.4	-40.4	173.7	-73.5	-174.3	-164.3	0	0	111.9	R564 L566 S571 R572	R564-E568 WeakPolarHBondContact O-CG 3.11Å; R564-E568 PolarHBondContact O-N 3.14Å; L566-E568 PolarHBondContact O-N 3.12Å; E568-S571 PolarHBondContact O-N 2.87Å; E568-R572 WeakPolarHBondContact O-CB 3.39Å; E568-R572 VanDerWaalsContact O-CG 3.32Å; E568-R572 WeakPolarHBondContact O-CG 3.42Å; E568-R572 PolarHBondContact O-N 3.25Å; E568-R572 IonicContact OE2-CZ 3.34Å; E568-R572 IonicContact OE2-NH1 3.72Å; E568-R572 PolarHBondContact OE2-NH1 2.89Å; E568-R572 IonicContact OE2-NH2 3.52Å; E568-R572 PolarHBondContact OE2-NH2 3.02Å
569	S	97.8	Very high	95.9	Very high	36 Å²	36	67.9 Å²	67.9	25%	0.252	33%	0.329	S	S	.	.	H	α-helix	trans	-68.5	-39.7	-179	-60.9	0	0	0	0	112	D565 L566 Q567 R572 I573	D565-S569 VanDerWaalsContact O-CB 3.31Å; D565-S569 WeakPolarHBondContact O-CB 3.35Å; D565-S569 PolarHBondContact O-N 2.6Å; D565-S569 VanDerWaalsContact O-N 3.16Å; D565-S569 PolarHBondContact O-OG 3.01Å; L566-S569 PolarHBondContact O-N 3.28Å; L566-S569 VanDerWaalsContact O-N 3.12Å; Q567-S569 VanDerWaalsContact C-N 3.3Å; Q567-S569 PolarHBondContact O-N 2.73Å; S569-R572 PolarHBondContact O-N 3.01Å; S569-R572 PolarHBondContact OG-NH2 3.37Å; S569-I573 WeakPolarHBondContact O-CD1 3.5Å; S569-I573 VanDerWaalsContact O-CG1 3.3Å; S569-I573 WeakPolarHBondContact O-CG1 3.23Å; S569-I573 PolarHBondContact O-N 3.02Å
570	I	96.6	Very high	95.8	Very high	14 Å²	14	68.3 Å²	68.3	7%	0.072	33%	0.331	C	S	.	.	H	α-helix	trans	-58.4	-50.6	170.2	-74	164.9	0	0	0	110.3	L426 L429 Q430 L433 L566 Q567 R572 I573 H574	L426-I570 HydrophobicContact CD1-CB 4.25Å; L426-I570 HydrophobicContact CD1-CG1 4.13Å; L426-I570 HydrophobicContact CD1-CG2 3.85Å; L429-I570 HydrophobicContact CB-CD1 4.14Å; L429-I570 HydrophobicContact CB-CG1 3.78Å; L429-I570 HydrophobicContact CD1-CG1 4.32Å; Q430-I570 HydrophobicContact CG-CD1 4.08Å; Q430-I570 HydrophobicContact CG-CG1 4.48Å; L433-I570 HydrophobicContact CB-CD1 4.32Å; L433-I570 HydrophobicContact CD2-CD1 3.74Å; L566-I570 WeakPolarHBondContact O-CG1 3.45Å; L566-I570 PolarHBondContact O-N 2.95Å; Q567-I570 PolarHBondContact O-N 2.72Å; I570-R572 PolarHBondContact O-N 2.96Å; I570-I573 PolarHBondContact O-N 3.02Å; I570-I573 VanDerWaalsContact O-N 3.1Å; I570-H574 PolarHBondContact O-N 2.96Å
571	S	96.3	Very high	95.7	Very high	71 Å²	71	66.1 Å²	66.1	50%	0.497	32%	0.32	S	S	.	.	H	α-helix	trans	-63.2	-36.6	178.4	-66.4	0	0	0	0	113.6	Q567 E568 I573 R575	Q567-S571 PolarHBondContact O-N 2.95Å; Q567-S571 PolarHBondContact O-OG 2.91Å; E568-S571 PolarHBondContact O-N 2.87Å; S571-I573 VanDerWaalsContact C-N 3.34Å; S571-R575 WeakPolarHBondContact O-CB 3.43Å; S571-R575 PolarHBondContact O-N 2.9Å; S571-R575 VanDerWaalsContact O-N 3.08Å
572	R	96.5	Very high	95.5	Very high	128 Å²	128	65.9 Å²	65.9	48%	0.483	33%	0.327	S	S	.	.	H	α-helix	trans	-62.2	-39.9	171.8	-78.1	-178	-75	-103.6	0.9	111.8	E568 S569 I570 T576	E568-R572 WeakPolarHBondContact O-CB 3.39Å; E568-R572 VanDerWaalsContact O-CG 3.32Å; E568-R572 WeakPolarHBondContact O-CG 3.42Å; E568-R572 PolarHBondContact O-N 3.25Å; E568-R572 IonicContact OE2-CZ 3.34Å; E568-R572 IonicContact OE2-NH1 3.72Å; E568-R572 PolarHBondContact OE2-NH1 2.89Å; E568-R572 IonicContact OE2-NH2 3.52Å; E568-R572 PolarHBondContact OE2-NH2 3.02Å; S569-R572 PolarHBondContact O-N 3.01Å; S569-R572 PolarHBondContact OG-NH2 3.37Å; I570-R572 PolarHBondContact O-N 2.96Å; R572-T576 WeakPolarHBondContact O-CB 3.1Å; R572-T576 PolarHBondContact O-N 3.42Å; R572-T576 VanDerWaalsContact O-N 3.11Å; R572-T576 PolarHBondContact O-OG1 2.62Å
573	I	96.3	Very high	95.3	Very high	16 Å²	16	65.1 Å²	65.1	8%	0.082	32%	0.323	C	S	.	.	H	α-helix	trans	-71.3	-46.5	178.6	-66.5	159	0	0	0	111.2	L422 Y425 L426 L429 S569 I570 S571 R575 T576 I577	L422-I573 HydrophobicContact CB-CG2 4.13Å; L422-I573 HydrophobicContact CD2-CG2 4.3Å; Y425-I573 HydrophobicContact CD1-CD1 3.64Å; Y425-I573 HydrophobicContact CE1-CD1 3.93Å; L426-I573 HydrophobicContact CB-CG2 4.09Å; L426-I573 HydrophobicContact CD1-CG2 4.47Å; L429-I573 HydrophobicContact CD1-CD1 3.61Å; S569-I573 WeakPolarHBondContact O-CD1 3.5Å; S569-I573 VanDerWaalsContact O-CG1 3.3Å; S569-I573 WeakPolarHBondContact O-CG1 3.23Å; S569-I573 PolarHBondContact O-N 3.02Å; I570-I573 PolarHBondContact O-N 3.02Å; I570-I573 VanDerWaalsContact O-N 3.1Å; S571-I573 VanDerWaalsContact C-N 3.34Å; I573-R575 PolarHBondContact O-N 3.41Å; I573-T576 WeakPolarHBondContact O-CB 3.33Å; I573-T576 PolarHBondContact O-N 2.89Å; I573-I577 HydrophobicContact CG2-CD1 3.88Å; I573-I577 HydrophobicContact CG2-CG1 4.44Å; I573-I577 WeakPolarHBondContact O-CG1 3.19Å; I573-I577 PolarHBondContact O-N 2.94Å
574	H	94.4	Very high	95.1	Very high	68 Å²	68	72.9 Å²	72.9	32%	0.315	36%	0.355	S	S	.	.	H	α-helix	trans	-52.4	-53.1	174.2	-69.7	161.2	0	0	0	111.2	I570 T576 I577 E578	I570-H574 PolarHBondContact O-N 2.96Å; H574-T576 PolarHBondContact O-N 3.41Å; H574-I577 PolarHBondContact O-N 3.08Å; H574-E578 VanDerWaalsContact O-CG 3.31Å; H574-E578 WeakPolarHBondContact O-CG 3.28Å; H574-E578 PolarHBondContact O-N 2.63Å
575	R	94.6	Very high	94.9	Very high	172 Å²	172	70.8 Å²	70.8	65%	0.649	36%	0.356	S	S	*	.	H	α-helix	trans	-59.9	-29.9	177.7	-171.6	172.2	-177.3	146.9	3.4	113.6	S571 I573 L579	S571-R575 WeakPolarHBondContact O-CB 3.43Å; S571-R575 PolarHBondContact O-N 2.9Å; S571-R575 VanDerWaalsContact O-N 3.08Å; I573-R575 PolarHBondContact O-N 3.41Å; R575-L579 HydrophobicContact CG-CD1 3.91Å; R575-L579 HydrophobicContact CG-CG 4.48Å; R575-L579 WeakPolarHBondContact O-CB 3.45Å; R575-L579 VanDerWaalsContact O-CG 3.25Å; R575-L579 WeakPolarHBondContact O-CG 3.37Å; R575-L579 PolarHBondContact O-N 3.12Å; R575-L579 VanDerWaalsContact O-N 3.14Å
576	T	95.8	Very high	94.8	Very high	71 Å²	71	67.4 Å²	67.4	44%	0.436	34%	0.338	S	S	.	.	H	α-helix	trans	-74.2	-38	176.1	-58.2	0	0	0	0	111.7	L422 R572 I573 H574 M580	L422-T576 HydrophobicContact CD1-CG2 4.06Å; R572-T576 WeakPolarHBondContact O-CB 3.1Å; R572-T576 PolarHBondContact O-N 3.42Å; R572-T576 VanDerWaalsContact O-N 3.11Å; R572-T576 PolarHBondContact O-OG1 2.62Å; I573-T576 WeakPolarHBondContact O-CB 3.33Å; I573-T576 PolarHBondContact O-N 2.89Å; H574-T576 PolarHBondContact O-N 3.41Å; T576-M580 HydrophobicContact CG2-CE 4.45Å; T576-M580 PolarHBondContact O-N 3.01Å; T576-M580 VanDerWaalsContact O-N 3.13Å
577	I	93.3	Very high	94.7	Very high	32 Å²	32	70 Å²	70	16%	0.164	35%	0.351	C	S	.	.	H	α-helix	trans	-68.5	-46.5	174.8	-65.6	167.5	0	0	0	110.4	I419 L422 K423 I573 H574 L579 M580	I419-I577 HydrophobicContact CG1-CG2 4.4Å; I419-I577 HydrophobicContact CG2-CG2 4.19Å; L422-I577 HydrophobicContact CB-CD1 3.99Å; L422-I577 HydrophobicContact CB-CG1 4.02Å; L422-I577 HydrophobicContact CD1-CG1 4.15Å; K423-I577 HydrophobicContact CG-CD1 4.16Å; I573-I577 HydrophobicContact CG2-CD1 3.88Å; I573-I577 HydrophobicContact CG2-CG1 4.44Å; I573-I577 WeakPolarHBondContact O-CG1 3.19Å; I573-I577 PolarHBondContact O-N 2.94Å; H574-I577 PolarHBondContact O-N 3.08Å; I577-L579 PolarHBondContact O-N 3.29Å; I577-M580 WeakPolarHBondContact O-CB 3.32Å; I577-M580 PolarHBondContact O-N 2.91Å; I577-M580 VanDerWaalsContact O-N 3.15Å
578	E	91.5	Very high	94.6	Very high	137 Å²	137	70.3 Å²	70.3	64%	0.64	35%	0.352	S	S	*	.	H	α-helix	trans	-56.2	-46.9	176.8	-71.3	161.9	-171.3	0	0	112	H574 M580	H574-E578 VanDerWaalsContact O-CG 3.31Å; H574-E578 WeakPolarHBondContact O-CG 3.28Å; H574-E578 PolarHBondContact O-N 2.63Å; E578-M580 VanDerWaalsContact C-N 3.3Å; E578-M580 PolarHBondContact O-N 3.28Å
579	L	94.5	Very high	94.6	Very high	99 Å²	99	67.1 Å²	67.1	52%	0.518	34%	0.339	S	S	.	.	G	3₁₀ helix	trans	-82.2	-3	-179.3	-63.2	175.7	0	0	0	113.8	R575 I577 Y581 A582	R575-L579 HydrophobicContact CG-CD1 3.91Å; R575-L579 HydrophobicContact CG-CG 4.48Å; R575-L579 WeakPolarHBondContact O-CB 3.45Å; R575-L579 VanDerWaalsContact O-CG 3.25Å; R575-L579 WeakPolarHBondContact O-CG 3.37Å; R575-L579 PolarHBondContact O-N 3.12Å; R575-L579 VanDerWaalsContact O-N 3.14Å; I577-L579 PolarHBondContact O-N 3.29Å; L579-Y581 PolarHBondContact O-N 3.42Å; L579-Y581 VanDerWaalsContact O-N 3.1Å; L579-A582 HydrophobicContact CB-CB 4.42Å; L579-A582 HydrophobicContact CD2-CB 4Å; L579-A582 WeakPolarHBondContact O-CB 3.42Å; L579-A582 PolarHBondContact O-N 3.12Å
580	M	93.9	Very high	94.5	Very high	33 Å²	33	66.1 Å²	66.1	16%	0.163	33%	0.332	C	S	.	.	G	3₁₀ helix	trans	-57.4	-30.9	-175	-172.9	62.1	72.1	0	0	113	K415 E418 I419 L422 T576 I577 E578	K415-M580 HydrophobicContact CB-CG 4.01Å; K415-M580 HydrophobicContact CB-SD 4.39Å; K415-M580 HydrophobicContact CD-CG 4.35Å; K415-M580 HydrophobicContact CG-CG 4.08Å; K415-M580 HydrophobicContact CG-SD 4.07Å; K415-M580 PolarHBondContact NZ-O 3.21Å; E418-M580 HydrophobicContact CB-CE 4.44Å; E418-M580 HydrophobicContact CG-CE 3.98Å; I419-M580 HydrophobicContact CD1-CB 4.1Å; I419-M580 HydrophobicContact CD1-CG 3.78Å; I419-M580 HydrophobicContact CG1-CB 4.31Å; I419-M580 HydrophobicContact CG1-CE 4.35Å; I419-M580 HydrophobicContact CG1-CG 3.9Å; L422-M580 HydrophobicContact CD1-CE 3.89Å; T576-M580 HydrophobicContact CG2-CE 4.45Å; T576-M580 PolarHBondContact O-N 3.01Å; T576-M580 VanDerWaalsContact O-N 3.13Å; I577-M580 WeakPolarHBondContact O-CB 3.32Å; I577-M580 PolarHBondContact O-N 2.91Å; I577-M580 VanDerWaalsContact O-N 3.15Å; E578-M580 VanDerWaalsContact C-N 3.3Å; E578-M580 PolarHBondContact O-N 3.28Å
581	Y	95.1	Very high	94.6	Very high	14 Å²	14	65.5 Å²	65.5	6%	0.055	33%	0.328	C	S	.	.	G	3₁₀ helix	trans	-109.6	9.8	177.5	-65.7	-78.8	0	0	0	113.8	R403 T412 K415 I419 L579 D583 M586	R403-Y581 HydrophobicContact CB-CD1 3.71Å; R403-Y581 HydrophobicContact CB-CE1 3.64Å; R403-Y581 HydrophobicContact CB-CG 4.48Å; R403-Y581 VanDerWaalsContact CZ-CD2 3.46Å; T412-Y581 HydrophobicContact CG2-CE1 4.27Å; K415-Y581 HydrophobicContact CB-CE1 3.93Å; K415-Y581 HydrophobicContact CD-CD1 3.66Å; K415-Y581 HydrophobicContact CD-CE1 3.49Å; K415-Y581 VanDerWaalsContact CD-CE1 3.49Å; K415-Y581 HydrophobicContact CG-CE1 4.37Å; I419-Y581 HydrophobicContact CD1-CD2 4.3Å; I419-Y581 HydrophobicContact CD1-CE2 3.52Å; L579-Y581 PolarHBondContact O-N 3.42Å; L579-Y581 VanDerWaalsContact O-N 3.1Å; Y581-D583 PolarHBondContact O-N 3.39Å; Y581-M586 HydrophobicContact CD1-CG 4.28Å; Y581-M586 HydrophobicContact CD1-SD 4.38Å; Y581-M586 VanDerWaalsContact O-CB 3.31Å; Y581-M586 WeakPolarHBondContact O-CB 3.35Å
582	A	92.7	Very high	94.6	Very high	57 Å²	57	65.3 Å²	65.3	47%	0.471	32%	0.317	S	S	.	.			trans	-81.6	9.5	179.5	0	0	0	0	0	113.8	L579	L579-A582 HydrophobicContact CB-CB 4.42Å; L579-A582 HydrophobicContact CD2-CB 4Å; L579-A582 WeakPolarHBondContact O-CB 3.42Å; L579-A582 PolarHBondContact O-N 3.12Å
583	D	91.9	Very high	94.7	Very high	51 Å²	51	59.3 Å²	59.3	27%	0.273	29%	0.294	S	S	.	.	S	Bend	trans	-77.3	154.3	-179.5	78.6	-114.5	0	0	0	112.7	K415 Y581 S585 M586	K415-D583 WeakPolarHBondContact CE-OD1 3.38Å; K415-D583 IonicContact NZ-OD1 2.85Å; K415-D583 PolarHBondContact NZ-OD1 3.44Å; Y581-D583 PolarHBondContact O-N 3.39Å; D583-S585 PolarHBondContact O-N 3.09Å; D583-S585 WeakPolarHBondContact OD2-CA 3.43Å; D583-S585 WeakPolarHBondContact OD2-CB 3.46Å; D583-S585 PolarHBondContact OD2-N 3.28Å; D583-S585 PolarHBondContact OD2-OG 3.44Å; D583-M586 PolarHBondContact O-N 3Å; D583-M586 WeakPolarHBondContact OD1-CG 3.5Å; D583-M586 PolarHBondContact OD2-N 3.38Å
584	K	91.9	Very high	94.7	Very high	177 Å²	177	58.6 Å²	58.6	77%	0.77	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-16	-174.2	-69.4	-173.4	178.4	-178.4	0	115	Q588	K584-Q588 PolarHBondContact O-NE2 3.18Å
585	S	92	Very high	94.8	Very high	57 Å²	57	55.3 Å²	55.3	40%	0.399	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-16.4	176.1	77.1	0	0	0	0	113.4	D583	D583-S585 PolarHBondContact O-N 3.09Å; D583-S585 WeakPolarHBondContact OD2-CA 3.43Å; D583-S585 WeakPolarHBondContact OD2-CB 3.46Å; D583-S585 PolarHBondContact OD2-N 3.28Å; D583-S585 PolarHBondContact OD2-OG 3.44Å
586	M	94.7	Very high	95	Very high	4 Å²	4	47.1 Å²	47.1	2%	0.02	24%	0.244	C	C	.	.	S	Bend	trans	-105.7	11.8	-178.2	-68.4	-65.6	-172.2	0	0	113.7	D402 R403 N408 I411 K415 Y581 D583	D402-M586 WeakPolarHBondContact CB-O 3.25Å; D402-M586 HydrophobicContact CB-SD 4.27Å; R403-M586 HydrophobicContact CB-SD 4.34Å; N408-M586 HydrophobicContact CB-CE 4.24Å; N408-M586 HydrophobicContact CB-SD 4.42Å; N408-M586 PolarHBondContact ND2-SD 2.95Å; N408-M586 VanDerWaalsContact ND2-SD 3.42Å; I411-M586 HydrophobicContact CB-CE 3.76Å; I411-M586 HydrophobicContact CG2-CE 3.51Å; K415-M586 HydrophobicContact CD-CE 4.18Å; Y581-M586 HydrophobicContact CD1-CG 4.28Å; Y581-M586 HydrophobicContact CD1-SD 4.38Å; Y581-M586 VanDerWaalsContact O-CB 3.31Å; Y581-M586 WeakPolarHBondContact O-CB 3.35Å; D583-M586 PolarHBondContact O-N 3Å; D583-M586 WeakPolarHBondContact OD1-CG 3.5Å; D583-M586 PolarHBondContact OD2-N 3.38Å
587	I	94.9	Very high	94.9	Very high	64 Å²	64	44 Å²	44	33%	0.328	23%	0.225	S	C	.	.	S	Bend	trans	-126.6	35.7	177.7	61.2	174.9	0	0	0	112.6	Y400	Y400-I587 VanDerWaalsContact CD1-CA 3.45Å; Y400-I587 HydrophobicContact CD1-CB 3.79Å; Y400-I587 HydrophobicContact CD1-CG2 4.17Å; Y400-I587 HydrophobicContact CD2-CG2 4.39Å; Y400-I587 HydrophobicContact CE1-CB 3.75Å; Y400-I587 HydrophobicContact CE1-CG2 4.33Å; Y400-I587 HydrophobicContact CG-CB 4.31Å; Y400-I587 HydrophobicContact CG-CG2 4.18Å
588	Q	95.2	Very high	95	Very high	92 Å²	92	42.5 Å²	42.5	43%	0.43	22%	0.217	S	C	.	.	S	Bend	trans	-103.7	-7.1	-174	-63.4	-62.7	-31.1	0	0	114.3	D402 K584 P590 K658	D402-Q588 VanDerWaalsContact OD1-C 3.22Å; D402-Q588 VanDerWaalsContact OD1-CA 3.26Å; D402-Q588 WeakPolarHBondContact OD1-CA 3.35Å; D402-Q588 VanDerWaalsContact OD1-CB 3.25Å; D402-Q588 WeakPolarHBondContact OD1-CB 3.47Å; D402-Q588 PolarHBondContact OD1-N 3.18Å; D402-Q588 PolarHBondContact OD2-N 3.37Å; K584-Q588 PolarHBondContact O-NE2 3.18Å; Q588-P590 WeakPolarHBondContact O-CD 3.49Å; Q588-K658 WeakPolarHBondContact O-CE 3.45Å; Q588-K658 PolarHBondContact O-NZ 3.5Å
589	V	96	Very high	94.9	Very high	17 Å²	17	36.3 Å²	36.3	10%	0.103	19%	0.188	C	C	.	.	S	Bend	trans	-127.8	71.9	176.7	-178.2	0	0	0	0	109.2	L366 L401 D402 Y591	L366-V589 HydrophobicContact CD1-CG1 3.96Å; L401-V589 HydrophobicContact CB-CG1 4.23Å; L401-V589 PolarHBondContact N-O 3.49Å; D402-V589 WeakPolarHBondContact OD1-CG2 3.4Å; D402-V589 PolarHBondContact OD1-N 3.44Å; D402-V589 PolarHBondContact OD2-N 2.96Å; V589-Y591 HydrophobicContact CG1-CD2 3.9Å; V589-Y591 HydrophobicContact CG1-CE2 3.59Å
590	P	96.9	Very high	94.7	Very high	15 Å²	15	34.9 Å²	34.9	10%	0.097	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	131.1	172.3	26.5	-32.4	0	0	0	111.9	V398 Y400 Q588 D657	V398-P590 HydrophobicContact CG1-CB 3.94Å; Y400-P590 HydrophobicContact CD1-CB 4.1Å; Y400-P590 HydrophobicContact CE1-CB 3.66Å; Y400-P590 HydrophobicContact CE1-CG 4.32Å; Q588-P590 WeakPolarHBondContact O-CD 3.49Å; P590-D657 HydrophobicContact CB-CB 4.05Å; P590-D657 HydrophobicContact CG-CB 4.02Å; P590-D657 WeakPolarHBondContact O-CB 3.26Å; P590-D657 PolarHBondContact O-N 3.11Å
591	Y	97.5	Very high	94.1	Very high	1 Å²	1	34.7 Å²	34.7	0%	0.004	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	121.6	169.2	-90.5	-111.4	0	0	0	108.5	L366 P367 L370 V398 L399 L401 V589 I655 N656	L366-Y591 WeakPolarHBondContact CB-OH 3.39Å; L366-Y591 HydrophobicContact CD1-CE2 4.03Å; P367-Y591 WeakPolarHBondContact O-CE1 3.32Å; P367-Y591 PolarHBondContact O-OH 3.24Å; L370-Y591 HydrophobicContact CB-CD1 4.02Å; L370-Y591 HydrophobicContact CB-CE1 3.87Å; V398-Y591 CarbonylContact C-O 3.49Å; V398-Y591 VanDerWaalsContact CA-O 3.32Å; V398-Y591 WeakPolarHBondContact CA-O 3.39Å; L399-Y591 PolarHBondContact N-O 3.06Å; L399-Y591 PolarHBondContact O-N 3.38Å; L401-Y591 HydrophobicContact CD1-CD1 4.26Å; L401-Y591 HydrophobicContact CD1-CD2 3.57Å; L401-Y591 HydrophobicContact CD1-CE2 3.87Å; L401-Y591 HydrophobicContact CD1-CG 3.79Å; L401-Y591 HydrophobicContact CG-CD2 4.42Å; V589-Y591 HydrophobicContact CG1-CD2 3.9Å; V589-Y591 HydrophobicContact CG1-CE2 3.59Å; Y591-I655 CarbonylContact C-O 3.52Å; Y591-I655 VanDerWaalsContact CA-O 3.26Å; Y591-I655 WeakPolarHBondContact CA-O 3.34Å; Y591-N656 HydrophobicContact CD1-CB 4.31Å; Y591-N656 HydrophobicContact CD2-CB 4.42Å; Y591-N656 HydrophobicContact CE1-CB 3.76Å; Y591-N656 HydrophobicContact CE2-CB 3.87Å; Y591-N656 WeakPolarHBondContact CE2-ND2 3.47Å; Y591-N656 PolarHBondContact OH-ND2 2.94Å
592	R	96.7	Very high	93.1	Very high	67 Å²	67	38.7 Å²	38.7	25%	0.253	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	135.3	177.2	-174.9	167.4	-62.3	94.5	17.8	110.3	Q397 V398 H594 Y654 I655 D657	Q397-R592 WeakPolarHBondContact O-CA 3.42Å; V398-R592 HydrophobicContact CG2-CB 4.48Å; V398-R592 HydrophobicContact CG2-CG 4.41Å; R592-H594 PolarHBondContact O-N 3.36Å; R592-Y654 CarbonylContact O-C 3.37Å; R592-Y654 WeakPolarHBondContact O-CA 3.45Å; R592-I655 PolarHBondContact N-O 2.92Å; R592-I655 PolarHBondContact O-N 3.4Å; R592-D657 IonicContact CZ-OD1 3.43Å; R592-D657 IonicContact CZ-OD2 2.9Å; R592-D657 VanDerWaalsContact NH1-CG 3.28Å; R592-D657 IonicContact NH1-OD1 3.97Å; R592-D657 PolarHBondContact NH1-OD1 3.35Å; R592-D657 IonicContact NH1-OD2 2.81Å; R592-D657 VanDerWaalsContact NH2-CG 3.31Å; R592-D657 IonicContact NH2-OD1 2.71Å; R592-D657 PolarHBondContact NH2-OD1 3.2Å; R592-D657 IonicContact NH2-OD2 3.27Å; R592-D657 PolarHBondContact NH2-OD2 3.44Å
593	L	98.1	Very high	91.9	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.005	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	119.1	174.2	-172.7	67	0	0	0	109.3	F395 Q397 V596 W620 W633 L652 Y654	F395-L593 HydrophobicContact CD2-CD2 3.88Å; F395-L593 HydrophobicContact CE2-CD2 3.75Å; Q397-L593 PolarHBondContact O-N 3.1Å; L593-V596 HydrophobicContact CD1-CG2 3.92Å; L593-V596 HydrophobicContact CD2-CG2 3.6Å; L593-V596 HydrophobicContact CG-CG2 3.95Å; L593-W620 HydrophobicContact CB-CH2 4.4Å; L593-W620 HydrophobicContact CD2-CH2 4.05Å; L593-W620 HydrophobicContact CD2-CZ2 4.14Å; L593-W620 HydrophobicContact CG-CH2 3.94Å; L593-W620 HydrophobicContact CG-CZ2 4.36Å; L593-W633 HydrophobicContact CD2-CH2 4.24Å; L593-W633 HydrophobicContact CD2-CZ3 3.87Å; L593-L652 HydrophobicContact CD1-CB 4.14Å; L593-Y654 HydrophobicContact CB-CD1 3.93Å; L593-Y654 HydrophobicContact CB-CE1 3.7Å; L593-Y654 HydrophobicContact CD1-CD1 4.17Å; L593-Y654 HydrophobicContact CD1-CD2 3.95Å; L593-Y654 HydrophobicContact CD1-CE1 3.89Å; L593-Y654 HydrophobicContact CD1-CE2 3.67Å; L593-Y654 HydrophobicContact CD1-CG 4.2Å; L593-Y654 HydrophobicContact CG-CE1 4.34Å
594	H	96.5	Very high	90.7	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.005	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	-43.8	-179.3	175.8	37	0	0	0	111.8	L190 R592 I612 F613 H615 M653 I655	L190-H594 PolarHBondContact N-NE2 2.83Å; R592-H594 PolarHBondContact O-N 3.36Å; H594-I612 CarbonylContact O-C 3.46Å; H594-I612 WeakPolarHBondContact O-CA 3.31Å; H594-F613 PolarHBondContact O-N 2.92Å; H594-H615 AromaticContact CE1-NE2 3.81Å; H594-H615 AromaticContact CG-NE2 3.98Å; H594-H615 AromaticContact ND1-CD2 3.99Å; H594-H615 AromaticContact ND1-NE2 3.23Å; H594-H615 PolarHBondContact ND1-NE2 2.66Å; H594-M653 PolarHBondContact N-O 3.08Å; H594-I655 HydrophobicContact CB-CD1 4.29Å; H594-I655 HydrophobicContact CB-CG1 4.16Å; H594-I655 HydrophobicContact CB-CG2 3.82Å
595	A	97.4	Very high	89.6	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	152.5	176.5	0	0	0	0	0	112.7	L597 Y611 I612 M653	A595-L597 HydrophobicContact CB-CD1 4.28Å; A595-Y611 CarbonylContact C-O 3.59Å; A595-Y611 WeakPolarHBondContact CA-O 3.3Å; A595-I612 HydrophobicContact CB-CB 4.48Å; A595-I612 HydrophobicContact CB-CG1 4Å; A595-I612 HydrophobicContact CB-CG2 4.35Å; A595-M653 HydrophobicContact CB-CB 4.08Å; A595-M653 HydrophobicContact CB-SD 4.06Å; A595-M653 PolarHBondContact N-O 3.31Å; A595-M653 PolarHBondContact O-N 3.03Å
596	V	97.8	Very high	89.1	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	122.4	173.6	177.3	0	0	0	0	107.3	F395 L593 V598 A610 Y611 L636 A649 L652	F395-V596 HydrophobicContact CE2-CG2 3.83Å; F395-V596 HydrophobicContact CZ-CG1 3.95Å; F395-V596 HydrophobicContact CZ-CG2 4.09Å; L593-V596 HydrophobicContact CD1-CG2 3.92Å; L593-V596 HydrophobicContact CD2-CG2 3.6Å; L593-V596 HydrophobicContact CG-CG2 3.95Å; V596-V598 HydrophobicContact CG1-CG2 3.97Å; V596-A610 CarbonylContact O-C 3.51Å; V596-A610 WeakPolarHBondContact O-CA 3.33Å; V596-Y611 PolarHBondContact N-O 3.37Å; V596-Y611 PolarHBondContact O-N 3.01Å; V596-L636 HydrophobicContact CG2-CD1 4.15Å; V596-L636 HydrophobicContact CG2-CD2 4.26Å; V596-A649 HydrophobicContact CG1-CB 3.74Å; V596-L652 HydrophobicContact CB-CD2 4.42Å; V596-L652 HydrophobicContact CG1-CD2 3.93Å; V596-L652 HydrophobicContact CG2-CD2 3.95Å
597	L	95.1	Very high	88.8	Confident	6 Å²	6	35.7 Å²	35.7	3%	0.031	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	124.2	-178.7	-59.7	84.1	0	0	0	108.5	A182 V183 A595 A610 A649 Y650 C651	A182-L597 HydrophobicContact CB-CD2 4.19Å; V183-L597 HydrophobicContact CB-CD2 4.48Å; V183-L597 HydrophobicContact CG2-CD2 3.93Å; A595-L597 HydrophobicContact CB-CD1 4.28Å; L597-A610 HydrophobicContact CG-CB 4.25Å; L597-A649 WeakPolarHBondContact O-CA 3.33Å; L597-Y650 HydrophobicContact CB-CD1 4.11Å; L597-Y650 HydrophobicContact CB-CE1 3.34Å; L597-Y650 VanDerWaalsContact CD2-OH 3.26Å; L597-Y650 WeakPolarHBondContact CD2-OH 3.36Å; L597-Y650 WeakPolarHBondContact O-CD1 3.48Å; L597-Y650 PolarHBondContact O-N 3.19Å; L597-C651 HydrophobicContact CB-CB 4.36Å; L597-C651 HydrophobicContact CD1-CB 4.4Å; L597-C651 PolarHBondContact N-O 3.21Å; L597-C651 PolarHBondContact O-N 3.05Å
598	V	94.1	Very high	88.6	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	141.3	-165	-179	0	0	0	0	109.9	V596 Y608 W609 Y611 D639 S640 A647	V596-V598 HydrophobicContact CG1-CG2 3.97Å; V598-Y608 WeakPolarHBondContact O-CA 3.31Å; V598-W609 HydrophobicContact CB-CD2 4.24Å; V598-W609 HydrophobicContact CB-CG 4.44Å; V598-W609 HydrophobicContact CB-CZ2 4.3Å; V598-W609 HydrophobicContact CG1-CD2 4.34Å; V598-W609 HydrophobicContact CG1-CH2 4.19Å; V598-W609 HydrophobicContact CG1-CZ2 3.56Å; V598-W609 PolarHBondContact N-O 2.93Å; V598-W609 PolarHBondContact O-N 3.18Å; V598-W609 VanDerWaalsContact O-N 3.14Å; V598-Y611 HydrophobicContact CG2-CD2 3.98Å; V598-Y611 HydrophobicContact CG2-CE2 4.22Å; V598-D639 WeakPolarHBondContact CG1-O 3.19Å; V598-S640 WeakPolarHBondContact CG2-OG 3.31Å; V598-A647 HydrophobicContact CG1-CB 4.04Å
599	H	90.4	Very high	88.6	Confident	6 Å²	6	30 Å²	30	3%	0.028	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	125.2	179.2	177.1	-147.6	0	0	0	111.4	K388 Q602 Y608 A647 S648 Y650	K388-H599 PolarHBondContact NZ-O 3.45Å; H599-Q602 PolarHBondContact CE1-O 3.41Å; H599-Y608 HydrophobicContact CB-CD1 3.81Å; H599-Y608 HydrophobicContact CB-CE1 3.44Å; H599-Y608 VanDerWaalsContact CB-CE1 3.44Å; H599-Y608 AromaticContact CD2-CE1 3.65Å; H599-Y608 AromaticContact CD2-CE2 3.53Å; H599-Y608 AromaticContact CD2-CZ 3.31Å; H599-Y608 AromaticContact CE1-CZ 3.96Å; H599-Y608 PolarHBondContact CE1-OH 3.05Å; H599-Y608 AromaticContact CG-CE1 3.46Å; H599-Y608 VanDerWaalsContact CG-CE1 3.46Å; H599-Y608 AromaticContact CG-CZ 3.48Å; H599-Y608 VanDerWaalsContact CG-CZ 3.48Å; H599-Y608 AromaticContact ND1-CZ 3.87Å; H599-Y608 PolarHBondContact ND1-OH 2.89Å; H599-Y608 AromaticContact NE2-CE2 3.82Å; H599-Y608 AromaticContact NE2-CZ 3.67Å; H599-A647 WeakPolarHBondContact O-CA 3.28Å; H599-S648 PolarHBondContact N-O 3.34Å; H599-S648 PolarHBondContact O-N 2.86Å; H599-Y650 HydrophobicContact CB-CD1 4.25Å
600	E	89.2	Confident	88.7	Confident	69 Å²	69	29.1 Å²	29.1	32%	0.322	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	122.1	167.2	-179.5	174.1	-109.2	0	0	110.2	G606 H607 W609 N646 A647	E600-G606 CarbonylContact O-C 3.28Å; E600-G606 WeakPolarHBondContact O-CA 3.42Å; E600-H607 PolarHBondContact N-O 3.33Å; E600-H607 PolarHBondContact O-N 3.3Å; E600-W609 HydrophobicContact CB-CH2 3.7Å; E600-W609 HydrophobicContact CB-CZ3 3.73Å; E600-N646 HydrophobicContact CG-CB 4.11Å; E600-A647 HydrophobicContact CB-CB 4.06Å
601	G	82.3	Confident	88.7	Confident	30 Å²	30	28.4 Å²	28.4	31%	0.309	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	135.8	-169.1	-177.5	0	0	0	0	0	114.4
602	Q	74.6	Confident	88.7	Confident	98 Å²	98	28.4 Å²	28.4	46%	0.458	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	162.5	178.7	-62.6	176.9	16.9	0	0	110.4	N140 H599 N604 A605	N140-Q602 PolarHBondContact OD1-NE2 2.95Å; H599-Q602 PolarHBondContact CE1-O 3.41Å; Q602-N604 PolarHBondContact O-N 3.44Å; Q602-N604 VanDerWaalsContact O-N 3.08Å; Q602-A605 PolarHBondContact N-O 3.13Å; Q602-A605 CarbonylContact O-C 3.57Å; Q602-A605 PolarHBondContact O-N 2.87Å; Q602-A605 VanDerWaalsContact O-N 3.08Å; Q602-A605 VanDerWaalsContact O-O 3.12Å
603	A	67.1	Low	88.7	Confident	52 Å²	52	26.7 Å²	26.7	43%	0.43	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.6	-38.9	-176	0	0	0	0	0	114.3	F377	F377-A603 HydrophobicContact CD1-CB 4.17Å; F377-A603 HydrophobicContact CE1-CB 3.51Å; F377-A603 HydrophobicContact CE2-CB 4.42Å; F377-A603 HydrophobicContact CZ-CB 3.67Å
604	N	65.8	Low	88.4	Confident	100 Å²	100	28.1 Å²	28.1	54%	0.535	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.6	-1.9	-175.4	65	-19.5	0	0	0	114.3	Q260 Q602	Q260-N604 WeakPolarHBondContact CB-O 3.31Å; Q260-N604 WeakPolarHBondContact CG-O 3.14Å; Q260-N604 PolarHBondContact NE2-O 3.24Å; Q602-N604 PolarHBondContact O-N 3.44Å; Q602-N604 VanDerWaalsContact O-N 3.08Å
605	A	69.9	Low	88	Confident	45 Å²	45	30.2 Å²	30.2	37%	0.372	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.8	114.5	-176.2	0	0	0	0	0	111.4	Q602	Q602-A605 PolarHBondContact N-O 3.13Å; Q602-A605 CarbonylContact O-C 3.57Å; Q602-A605 PolarHBondContact O-N 2.87Å; Q602-A605 VanDerWaalsContact O-N 3.08Å; Q602-A605 VanDerWaalsContact O-O 3.12Å
606	G	80.6	Confident	87.2	Confident	31 Å²	31	37.6 Å²	37.6	32%	0.32	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-171.2	178.8	176.2	0	0	0	0	0	112.9	E600	E600-G606 CarbonylContact O-C 3.28Å; E600-G606 WeakPolarHBondContact O-CA 3.42Å
607	H	88.9	Confident	86.7	Confident	55 Å²	55	42 Å²	42	26%	0.255	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	142.1	179.7	-169.8	53.5	0	0	0	111.3	C178 E600 W609 N624 D625	C178-H607 VanDerWaalsContact CB-CE1 3.5Å; C178-H607 WeakPolarHBondContact CB-CE1 3.42Å; C178-H607 PolarHBondContact SG-ND1 2.89Å; E600-H607 PolarHBondContact N-O 3.33Å; E600-H607 PolarHBondContact O-N 3.3Å; H607-W609 AromaticContact CD2-CE3 3.62Å; H607-W609 AromaticContact CD2-CZ3 3.89Å; H607-N624 PolarHBondContact NE2-OD1 3.12Å; H607-D625 IonicContact CE1-OD2 2.81Å; H607-D625 PolarHBondContact CE1-OD2 3.04Å
608	Y	90.8	Very high	86.5	Confident	21 Å²	21	46 Å²	46	8%	0.082	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	137.8	-173	-70.7	-92.6	0	0	0	111.2	C178 W179 V263 V598 H599 Y650	C178-Y608 WeakPolarHBondContact CB-O 3.49Å; W179-Y608 HydrophobicContact CB-CD2 4.05Å; W179-Y608 HydrophobicContact CB-CG 4.09Å; V263-Y608 HydrophobicContact CB-CE1 4.32Å; V263-Y608 HydrophobicContact CG2-CD1 3.82Å; V263-Y608 HydrophobicContact CG2-CD2 4.32Å; V263-Y608 HydrophobicContact CG2-CE1 3.3Å; V263-Y608 HydrophobicContact CG2-CE2 3.9Å; V263-Y608 HydrophobicContact CG2-CG 4.28Å; V598-Y608 WeakPolarHBondContact O-CA 3.31Å; H599-Y608 HydrophobicContact CB-CD1 3.81Å; H599-Y608 HydrophobicContact CB-CE1 3.44Å; H599-Y608 VanDerWaalsContact CB-CE1 3.44Å; H599-Y608 AromaticContact CD2-CE1 3.65Å; H599-Y608 AromaticContact CD2-CE2 3.53Å; H599-Y608 AromaticContact CD2-CZ 3.31Å; H599-Y608 AromaticContact CE1-CZ 3.96Å; H599-Y608 PolarHBondContact CE1-OH 3.05Å; H599-Y608 AromaticContact CG-CE1 3.46Å; H599-Y608 VanDerWaalsContact CG-CE1 3.46Å; H599-Y608 AromaticContact CG-CZ 3.48Å; H599-Y608 VanDerWaalsContact CG-CZ 3.48Å; H599-Y608 AromaticContact ND1-CZ 3.87Å; H599-Y608 PolarHBondContact ND1-OH 2.89Å; H599-Y608 AromaticContact NE2-CE2 3.82Å; H599-Y608 AromaticContact NE2-CZ 3.67Å; Y608-Y650 AromaticContact CD1-CD1 4Å; Y608-Y650 HydrophobicContact CD1-CD1 4Å; Y608-Y650 AromaticContact CD1-CE1 3.72Å; Y608-Y650 HydrophobicContact CD1-CE1 3.72Å; Y608-Y650 AromaticContact CE1-CD1 3.92Å; Y608-Y650 HydrophobicContact CE1-CD1 3.92Å; Y608-Y650 AromaticContact CE1-CE1 3.95Å; Y608-Y650 HydrophobicContact CE1-CE1 3.95Å
609	W	94.9	Very high	86.5	Confident	14 Å²	14	51.1 Å²	51.1	5%	0.053	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	165.7	172.5	61.8	93.8	0	0	0	110.9	V598 E600 H607 Y611 Y623 N624 D639 A647	V598-W609 HydrophobicContact CB-CD2 4.24Å; V598-W609 HydrophobicContact CB-CG 4.44Å; V598-W609 HydrophobicContact CB-CZ2 4.3Å; V598-W609 HydrophobicContact CG1-CD2 4.34Å; V598-W609 HydrophobicContact CG1-CH2 4.19Å; V598-W609 HydrophobicContact CG1-CZ2 3.56Å; V598-W609 PolarHBondContact N-O 2.93Å; V598-W609 PolarHBondContact O-N 3.18Å; V598-W609 VanDerWaalsContact O-N 3.14Å; E600-W609 HydrophobicContact CB-CH2 3.7Å; E600-W609 HydrophobicContact CB-CZ3 3.73Å; H607-W609 AromaticContact CD2-CE3 3.62Å; H607-W609 AromaticContact CD2-CZ3 3.89Å; W609-Y611 AromaticContact CD1-CE2 3.95Å; W609-Y611 AromaticContact NE1-CE2 3.51Å; W609-Y623 WeakPolarHBondContact CB-O 3.42Å; W609-N624 HydrophobicContact CB-CB 4.2Å; W609-D639 HydrophobicContact CZ2-CB 4.23Å; W609-A647 HydrophobicContact CH2-CB 3.82Å; W609-A647 HydrophobicContact CZ2-CB 3.94Å
610	A	97.1	Very high	86.8	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	138.1	175.6	0	0	0	0	0	111.1	A182 V596 L597 I612 Y623	A182-A610 HydrophobicContact CB-CB 4.16Å; V596-A610 CarbonylContact O-C 3.51Å; V596-A610 WeakPolarHBondContact O-CA 3.33Å; L597-A610 HydrophobicContact CG-CB 4.25Å; A610-I612 HydrophobicContact CB-CD1 4.11Å; A610-I612 HydrophobicContact CB-CG1 3.97Å; A610-Y623 PolarHBondContact N-O 2.9Å; A610-Y623 VanDerWaalsContact N-O 3.11Å; A610-Y623 PolarHBondContact O-N 2.8Å
611	Y	98.3	Very high	87.2	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	131	156	-71.9	-81	0	0	0	108.4	A595 V596 V598 W609 M621 K622 S631 E635 L636 D639	A595-Y611 CarbonylContact C-O 3.59Å; A595-Y611 WeakPolarHBondContact CA-O 3.3Å; V596-Y611 PolarHBondContact N-O 3.37Å; V596-Y611 PolarHBondContact O-N 3.01Å; V598-Y611 HydrophobicContact CG2-CD2 3.98Å; V598-Y611 HydrophobicContact CG2-CE2 4.22Å; W609-Y611 AromaticContact CD1-CE2 3.95Å; W609-Y611 AromaticContact NE1-CE2 3.51Å; Y611-M621 WeakPolarHBondContact CA-O 3.34Å; Y611-K622 HydrophobicContact CD1-CB 3.95Å; Y611-K622 HydrophobicContact CD1-CG 4.06Å; Y611-K622 HydrophobicContact CE1-CB 3.74Å; Y611-K622 HydrophobicContact CE1-CD 3.71Å; Y611-K622 HydrophobicContact CE1-CG 3.62Å; Y611-K622 WeakPolarHBondContact OH-CE 3.48Å; Y611-K622 PolarHBondContact OH-NZ 3.05Å; Y611-S631 WeakPolarHBondContact CE1-OG 3.32Å; Y611-E635 PolarHBondContact OH-O 3.09Å; Y611-E635 PolarHBondContact OH-OE1 3.07Å; Y611-L636 HydrophobicContact CD1-CB 4.09Å; Y611-L636 HydrophobicContact CD1-CG 4.4Å; Y611-L636 HydrophobicContact CD2-CB 4.2Å; Y611-L636 HydrophobicContact CD2-CG 3.93Å; Y611-L636 HydrophobicContact CE1-CB 4.26Å; Y611-L636 HydrophobicContact CE2-CB 4.38Å; Y611-L636 HydrophobicContact CG-CB 4.03Å; Y611-L636 HydrophobicContact CG-CD1 4.06Å; Y611-L636 HydrophobicContact CG-CG 3.86Å; Y611-D639 HydrophobicContact CE2-CB 4Å; Y611-D639 PolarHBondContact OH-OD2 3.37Å
612	I	97.9	Very high	87.9	Confident	1 Å²	1	48.1 Å²	48.1	1%	0.005	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	136.3	-178	-48.7	173	0	0	0	108.8	Q185 N189 H594 A595 A610 W620 M621 Y623	Q185-I612 VanDerWaalsContact C-CD1 3.4Å; Q185-I612 HydrophobicContact CB-CD1 3.81Å; Q185-I612 WeakPolarHBondContact O-CD1 3.48Å; N189-I612 HydrophobicContact CB-CG2 3.81Å; N189-I612 VanDerWaalsContact ND2-CD1 3.34Å; N189-I612 WeakPolarHBondContact ND2-CD1 3.42Å; H594-I612 CarbonylContact O-C 3.46Å; H594-I612 WeakPolarHBondContact O-CA 3.31Å; A595-I612 HydrophobicContact CB-CB 4.48Å; A595-I612 HydrophobicContact CB-CG1 4Å; A595-I612 HydrophobicContact CB-CG2 4.35Å; A610-I612 HydrophobicContact CB-CD1 4.11Å; A610-I612 HydrophobicContact CB-CG1 3.97Å; I612-W620 VanDerWaalsContact C-CE3 3.48Å; I612-M621 PolarHBondContact N-O 3.47Å; I612-M621 WeakPolarHBondContact O-CB 3.34Å; I612-M621 PolarHBondContact O-N 2.77Å; I612-Y623 HydrophobicContact CB-CD2 4.07Å; I612-Y623 HydrophobicContact CB-CE2 3.92Å; I612-Y623 HydrophobicContact CD1-CD2 3.61Å; I612-Y623 HydrophobicContact CD1-CE2 3.84Å; I612-Y623 HydrophobicContact CD1-CG 4.03Å; I612-Y623 HydrophobicContact CG1-CD2 3.88Å; I612-Y623 HydrophobicContact CG1-CE2 4.16Å
613	F	96.3	Very high	89	Confident	31 Å²	31	44 Å²	44	14%	0.136	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	116.3	177.6	-164.8	-96.6	0	0	0	110.5	H594 H615 W620	H594-F613 PolarHBondContact O-N 2.92Å; F613-H615 AromaticContact CD1-CE1 3.83Å; F613-H615 AromaticContact CD1-CG 3.99Å; F613-H615 AromaticContact CD1-ND1 3.56Å; F613-H615 AromaticContact CE1-ND1 3.99Å; F613-H615 PolarHBondContact O-CD2 3.39Å; F613-H615 PolarHBondContact O-N 3.46Å; F613-W620 HydrophobicContact CB-CD2 4.33Å; F613-W620 HydrophobicContact CB-CE3 4.08Å; F613-W620 HydrophobicContact CB-CH2 3.97Å; F613-W620 HydrophobicContact CB-CZ2 4.24Å; F613-W620 HydrophobicContact CB-CZ3 3.91Å; F613-W620 AromaticContact CD2-CD2 3.91Å; F613-W620 HydrophobicContact CD2-CD2 3.91Å; F613-W620 AromaticContact CD2-CE2 3.71Å; F613-W620 HydrophobicContact CD2-CE3 4.49Å; F613-W620 HydrophobicContact CD2-CG 4.11Å; F613-W620 HydrophobicContact CD2-CZ2 4.11Å; F613-W620 AromaticContact CD2-NE1 3.79Å
614	D	91.6	Very high	90.3	Very high	31 Å²	31	44.1 Å²	44.1	17%	0.166	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	106.3	166.7	-175.4	-36.9	0	0	0	107.9	R616 E617 S618 R619 M621	D614-R616 PolarHBondContact O-N 3.48Å; D614-R616 WeakPolarHBondContact OD1-CA 3.3Å; D614-R616 WeakPolarHBondContact OD1-CB 3.3Å; D614-R616 PolarHBondContact OD1-N 3.4Å; D614-R616 IonicContact OD2-NH2 3.88Å; D614-E617 HydrophobicContact CB-CB 4.35Å; D614-E617 PolarHBondContact OD1-N 3.44Å; D614-S618 CarbonylContact O-C 3.41Å; D614-S618 WeakPolarHBondContact O-CA 3.41Å; D614-S618 PolarHBondContact O-N 2.71Å; D614-R619 PolarHBondContact N-O 3.36Å; D614-R619 PolarHBondContact O-N 3.32Å; D614-M621 HydrophobicContact CB-CG 3.97Å
615	H	87.2	Confident	91.6	Very high	45 Å²	45	40.3 Å²	40.3	21%	0.208	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-17.9	-179.3	-62.7	-82.2	0	0	0	113.7	H594 F613	H594-H615 AromaticContact CE1-NE2 3.81Å; H594-H615 AromaticContact CG-NE2 3.98Å; H594-H615 AromaticContact ND1-CD2 3.99Å; H594-H615 AromaticContact ND1-NE2 3.23Å; H594-H615 PolarHBondContact ND1-NE2 2.66Å; F613-H615 AromaticContact CD1-CE1 3.83Å; F613-H615 AromaticContact CD1-CG 3.99Å; F613-H615 AromaticContact CD1-ND1 3.56Å; F613-H615 AromaticContact CE1-ND1 3.99Å; F613-H615 PolarHBondContact O-CD2 3.39Å; F613-H615 PolarHBondContact O-N 3.46Å
616	R	82.4	Confident	92.7	Very high	154 Å²	154	39.2 Å²	39.2	58%	0.581	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.5	-38.2	-179	-176.5	-175.4	61.1	-139.7	-11.4	111.9	D614 S618 E665	D614-R616 PolarHBondContact O-N 3.48Å; D614-R616 WeakPolarHBondContact OD1-CA 3.3Å; D614-R616 WeakPolarHBondContact OD1-CB 3.3Å; D614-R616 PolarHBondContact OD1-N 3.4Å; D614-R616 IonicContact OD2-NH2 3.88Å; R616-S618 VanDerWaalsContact C-N 3.33Å; R616-E665 IonicContact CZ-OE1 2.71Å; R616-E665 IonicContact NH1-OE1 3.46Å; R616-E665 PolarHBondContact NH1-OE1 2.96Å
617	E	85.9	Confident	93.3	Very high	94 Å²	94	38.9 Å²	38.9	44%	0.439	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-9.9	166.5	-73.7	-157	-172.7	0	0	113.2	D614 R619 K630	D614-E617 HydrophobicContact CB-CB 4.35Å; D614-E617 PolarHBondContact OD1-N 3.44Å; E617-R619 VanDerWaalsContact C-N 3.3Å; E617-R619 HydrophobicContact CB-CB 4.23Å; E617-R619 PolarHBondContact O-N 3.05Å; E617-K630 IonicContact OE1-NZ 2.68Å; E617-K630 PolarHBondContact OE1-NZ 3.39Å; E617-K630 WeakPolarHBondContact OE2-CE 3.2Å; E617-K630 IonicContact OE2-NZ 3.42Å; E617-K630 PolarHBondContact OE2-NZ 3.27Å
618	S	91.1	Very high	93.6	Very high	88 Å²	88	37.8 Å²	37.8	62%	0.615	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.9	44	-172	-65	0	0	0	0	113	D614 R616	D614-S618 CarbonylContact O-C 3.41Å; D614-S618 WeakPolarHBondContact O-CA 3.41Å; D614-S618 PolarHBondContact O-N 2.71Å; R616-S618 VanDerWaalsContact C-N 3.33Å
619	R	93.8	Very high	93.8	Very high	109 Å²	109	40 Å²	40	41%	0.411	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	144	-169.6	-169.1	173.1	-178	159.3	3	113.6	D614 E617 S631	D614-R619 PolarHBondContact N-O 3.36Å; D614-R619 PolarHBondContact O-N 3.32Å; E617-R619 VanDerWaalsContact C-N 3.3Å; E617-R619 HydrophobicContact CB-CB 4.23Å; E617-R619 PolarHBondContact O-N 3.05Å; R619-S631 PolarHBondContact NE-O 3.41Å; R619-S631 PolarHBondContact NH2-O 3.18Å; R619-S631 VanDerWaalsContact NH2-O 3.13Å
620	W	97.6	Very high	93.7	Very high	10 Å²	10	44.5 Å²	44.5	4%	0.038	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	131.5	168.8	-74.6	107.2	0	0	0	112.2	L593 I612 F613 S631 W633 L636	L593-W620 HydrophobicContact CB-CH2 4.4Å; L593-W620 HydrophobicContact CD2-CH2 4.05Å; L593-W620 HydrophobicContact CD2-CZ2 4.14Å; L593-W620 HydrophobicContact CG-CH2 3.94Å; L593-W620 HydrophobicContact CG-CZ2 4.36Å; I612-W620 VanDerWaalsContact C-CE3 3.48Å; F613-W620 HydrophobicContact CB-CD2 4.33Å; F613-W620 HydrophobicContact CB-CE3 4.08Å; F613-W620 HydrophobicContact CB-CH2 3.97Å; F613-W620 HydrophobicContact CB-CZ2 4.24Å; F613-W620 HydrophobicContact CB-CZ3 3.91Å; F613-W620 AromaticContact CD2-CD2 3.91Å; F613-W620 HydrophobicContact CD2-CD2 3.91Å; F613-W620 AromaticContact CD2-CE2 3.71Å; F613-W620 HydrophobicContact CD2-CE3 4.49Å; F613-W620 HydrophobicContact CD2-CG 4.11Å; F613-W620 HydrophobicContact CD2-CZ2 4.11Å; F613-W620 AromaticContact CD2-NE1 3.79Å; W620-S631 CarbonylContact O-C 3.55Å; W620-S631 WeakPolarHBondContact O-CA 3.29Å; W620-S631 WeakPolarHBondContact O-CB 3.18Å; W620-S631 PolarHBondContact O-N 3.35Å; W620-W633 HydrophobicContact CZ2-CE3 4.31Å; W620-W633 HydrophobicContact CZ2-CZ3 4.31Å; W620-W633 AromaticContact NE1-CE3 3.69Å; W620-L636 HydrophobicContact CD2-CD1 3.52Å; W620-L636 HydrophobicContact CE3-CD1 3.49Å; W620-L636 VanDerWaalsContact CE3-CD1 3.49Å; W620-L636 HydrophobicContact CG-CD1 4.23Å; W620-L636 HydrophobicContact CH2-CD1 3.86Å; W620-L636 HydrophobicContact CZ2-CD1 3.88Å; W620-L636 HydrophobicContact CZ3-CD1 3.66Å
621	M	96.6	Very high	93.7	Very high	6 Å²	6	44.7 Å²	44.7	3%	0.03	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	131.7	179.6	-62.8	-63.8	-67.8	0	0	109.1	P168 Y611 I612 D614 Y623 V628 T629 K630	P168-M621 HydrophobicContact CG-CE 3.86Å; Y611-M621 WeakPolarHBondContact CA-O 3.34Å; I612-M621 PolarHBondContact N-O 3.47Å; I612-M621 WeakPolarHBondContact O-CB 3.34Å; I612-M621 PolarHBondContact O-N 2.77Å; D614-M621 HydrophobicContact CB-CG 3.97Å; M621-Y623 HydrophobicContact CB-CD2 4.21Å; M621-Y623 HydrophobicContact CB-CE2 3.63Å; M621-V628 HydrophobicContact CE-CG1 4.27Å; M621-T629 CarbonylContact C-O 3.48Å; M621-T629 WeakPolarHBondContact CA-O 3.5Å; M621-K630 HydrophobicContact CE-CG 3.91Å; M621-K630 HydrophobicContact SD-CB 4.15Å; M621-K630 HydrophobicContact SD-CG 3.79Å
622	K	97.6	Very high	93.5	Very high	25 Å²	25	46.8 Å²	46.8	11%	0.109	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	118.2	178.8	-167.8	176.7	-162	167.6	0	109.1	Y611 V628 T629 E635 D639	Y611-K622 HydrophobicContact CD1-CB 3.95Å; Y611-K622 HydrophobicContact CD1-CG 4.06Å; Y611-K622 HydrophobicContact CE1-CB 3.74Å; Y611-K622 HydrophobicContact CE1-CD 3.71Å; Y611-K622 HydrophobicContact CE1-CG 3.62Å; Y611-K622 WeakPolarHBondContact OH-CE 3.48Å; Y611-K622 PolarHBondContact OH-NZ 3.05Å; K622-V628 CarbonylContact O-C 3.49Å; K622-V628 VanDerWaalsContact O-CA 3.31Å; K622-V628 WeakPolarHBondContact O-CA 3.43Å; K622-T629 PolarHBondContact N-O 3.03Å; K622-T629 PolarHBondContact O-N 3.19Å; K622-E635 WeakPolarHBondContact CD-OE1 3.46Å; K622-E635 IonicContact NZ-OE1 2.64Å; K622-E635 PolarHBondContact NZ-OE1 3.42Å; K622-D639 IonicContact NZ-OD2 3.54Å; K622-D639 PolarHBondContact NZ-OD2 2.91Å
623	Y	97	Very high	93.5	Very high	11 Å²	11	49.1 Å²	49.1	4%	0.043	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	97.3	179.4	-73.5	-101.8	0	0	0	109.1	P168 Q185 N189 W609 A610 I612 M621 V628	P168-Y623 HydrophobicContact CB-CE1 4.01Å; P168-Y623 WeakPolarHBondContact CB-OH 3.08Å; Q185-Y623 HydrophobicContact CB-CD1 3.89Å; Q185-Y623 HydrophobicContact CB-CE1 4.46Å; Q185-Y623 HydrophobicContact CB-CG 4.17Å; Q185-Y623 VanDerWaalsContact CD-CD1 3.42Å; Q185-Y623 HydrophobicContact CG-CD1 3.72Å; Q185-Y623 HydrophobicContact CG-CE1 4.42Å; Q185-Y623 HydrophobicContact CG-CG 4.33Å; N189-Y623 PolarHBondContact ND2-OH 3.24Å; N189-Y623 VanDerWaalsContact ND2-OH 3.08Å; W609-Y623 WeakPolarHBondContact CB-O 3.42Å; A610-Y623 PolarHBondContact N-O 2.9Å; A610-Y623 VanDerWaalsContact N-O 3.11Å; A610-Y623 PolarHBondContact O-N 2.8Å; I612-Y623 HydrophobicContact CB-CD2 4.07Å; I612-Y623 HydrophobicContact CB-CE2 3.92Å; I612-Y623 HydrophobicContact CD1-CD2 3.61Å; I612-Y623 HydrophobicContact CD1-CE2 3.84Å; I612-Y623 HydrophobicContact CD1-CG 4.03Å; I612-Y623 HydrophobicContact CG1-CD2 3.88Å; I612-Y623 HydrophobicContact CG1-CE2 4.16Å; M621-Y623 HydrophobicContact CB-CD2 4.21Å; M621-Y623 HydrophobicContact CB-CE2 3.63Å; Y623-V628 HydrophobicContact CD1-CB 4.19Å; Y623-V628 HydrophobicContact CD1-CG1 3.58Å; Y623-V628 HydrophobicContact CD1-CG2 3.5Å; Y623-V628 HydrophobicContact CD2-CG1 3.97Å; Y623-V628 HydrophobicContact CE1-CB 4.31Å; Y623-V628 HydrophobicContact CE1-CG1 3.48Å; Y623-V628 VanDerWaalsContact CE1-CG1 3.48Å; Y623-V628 HydrophobicContact CE1-CG2 3.81Å; Y623-V628 HydrophobicContact CE2-CG1 3.88Å; Y623-V628 HydrophobicContact CG-CG1 3.83Å; Y623-V628 HydrophobicContact CG-CG2 4.26Å
624	N	95.3	Very high	93.4	Very high	56 Å²	56	53.6 Å²	53.6	30%	0.299	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	88.4	-178.8	-174.8	8.3	0	0	0	109.5	H607 W609 I626 A627	H607-N624 PolarHBondContact NE2-OD1 3.12Å; W609-N624 HydrophobicContact CB-CB 4.2Å; N624-I626 PolarHBondContact O-N 2.67Å; N624-I626 VanDerWaalsContact O-N 3.14Å; N624-A627 PolarHBondContact N-O 3.17Å; N624-A627 WeakPolarHBondContact O-CB 3.45Å; N624-A627 PolarHBondContact O-N 2.74Å
625	D	94	Very high	93.5	Very high	19 Å²	19	54.3 Å²	54.3	10%	0.102	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	46.7	-114	-171.4	-70.9	-39.6	0	0	0	112.6	G170 L171 N173 C178 S181 H607 A627	G170-D625 CarbonylContact C-O 3.6Å; G170-D625 VanDerWaalsContact CA-O 3.28Å; G170-D625 WeakPolarHBondContact CA-O 3.33Å; L171-D625 PolarHBondContact N-O 2.98Å; L171-D625 CarbonylContact O-C 3.59Å; L171-D625 WeakPolarHBondContact O-CA 3.17Å; L171-D625 WeakPolarHBondContact O-CB 3.33Å; N173-D625 HydrophobicContact CB-CB 4.42Å; N173-D625 WeakPolarHBondContact CB-OD2 3.43Å; N173-D625 PolarHBondContact ND2-OD2 3.14Å; C178-D625 WeakPolarHBondContact CA-OD1 3.21Å; S181-D625 WeakPolarHBondContact CB-OD1 3.37Å; S181-D625 PolarHBondContact OG-OD1 3.15Å; H607-D625 IonicContact CE1-OD2 2.81Å; H607-D625 PolarHBondContact CE1-OD2 3.04Å; D625-A627 VanDerWaalsContact C-N 3.28Å; D625-A627 PolarHBondContact O-N 3.27Å
626	I	92.6	Very high	93.9	Very high	23 Å²	23	52.1 Å²	52.1	12%	0.118	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-9.8	-178.1	68.2	169.9	0	0	0	113.6	W152 L171 K172 Y239 N624	W152-I626 HydrophobicContact CB-CD1 4.01Å; W152-I626 HydrophobicContact CD2-CD1 3.81Å; W152-I626 HydrophobicContact CD2-CG1 4.16Å; W152-I626 HydrophobicContact CE3-CD1 3.7Å; W152-I626 HydrophobicContact CE3-CG1 4.27Å; W152-I626 HydrophobicContact CG-CD1 3.98Å; W152-I626 HydrophobicContact CG-CG1 4.47Å; W152-I626 HydrophobicContact CZ3-CD1 4.4Å; L171-I626 WeakPolarHBondContact O-CG2 3.26Å; L171-I626 PolarHBondContact O-N 3.4Å; L171-I626 VanDerWaalsContact O-N 3.12Å; K172-I626 HydrophobicContact CB-CG2 4.1Å; Y239-I626 HydrophobicContact CD1-CB 3.91Å; Y239-I626 HydrophobicContact CD1-CD1 4.4Å; Y239-I626 HydrophobicContact CD1-CG2 3.95Å; Y239-I626 HydrophobicContact CD2-CG2 3.99Å; Y239-I626 HydrophobicContact CG-CB 3.91Å; Y239-I626 HydrophobicContact CG-CG2 3.57Å; N624-I626 PolarHBondContact O-N 2.67Å; N624-I626 VanDerWaalsContact O-N 3.14Å
627	A	92.6	Very high	94.5	Very high	23 Å²	23	46.1 Å²	46.1	19%	0.19	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	100.1	179.6	0	0	0	0	0	109.8	W152 N624 D625	W152-A627 HydrophobicContact CH2-CB 4.39Å; W152-A627 HydrophobicContact CZ2-CB 4.46Å; N624-A627 PolarHBondContact N-O 3.17Å; N624-A627 WeakPolarHBondContact O-CB 3.45Å; N624-A627 PolarHBondContact O-N 2.74Å; D625-A627 VanDerWaalsContact C-N 3.28Å; D625-A627 PolarHBondContact O-N 3.27Å
628	V	95	Very high	94.7	Very high	32 Å²	32	45 Å²	45	19%	0.194	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	121.4	166.1	-166	0	0	0	0	108.9	P168 M621 K622 Y623	P168-V628 HydrophobicContact CB-CG1 4.07Å; P168-V628 HydrophobicContact CG-CB 4.03Å; P168-V628 HydrophobicContact CG-CG1 3.44Å; P168-V628 VanDerWaalsContact CG-CG1 3.44Å; M621-V628 HydrophobicContact CE-CG1 4.27Å; K622-V628 CarbonylContact O-C 3.49Å; K622-V628 VanDerWaalsContact O-CA 3.31Å; K622-V628 WeakPolarHBondContact O-CA 3.43Å; Y623-V628 HydrophobicContact CD1-CB 4.19Å; Y623-V628 HydrophobicContact CD1-CG1 3.58Å; Y623-V628 HydrophobicContact CD1-CG2 3.5Å; Y623-V628 HydrophobicContact CD2-CG1 3.97Å; Y623-V628 HydrophobicContact CE1-CB 4.31Å; Y623-V628 HydrophobicContact CE1-CG1 3.48Å; Y623-V628 VanDerWaalsContact CE1-CG1 3.48Å; Y623-V628 HydrophobicContact CE1-CG2 3.81Å; Y623-V628 HydrophobicContact CE2-CG1 3.88Å; Y623-V628 HydrophobicContact CG-CG1 3.83Å; Y623-V628 HydrophobicContact CG-CG2 4.26Å
629	T	94.8	Very high	94.8	Very high	68 Å²	68	41.1 Å²	41.1	42%	0.417	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	153.8	-174.1	59.2	0	0	0	0	112.4	M621 K622	M621-T629 CarbonylContact C-O 3.48Å; M621-T629 WeakPolarHBondContact CA-O 3.5Å; K622-T629 PolarHBondContact N-O 3.03Å; K622-T629 PolarHBondContact O-N 3.19Å
630	K	94.3	Very high	94.8	Very high	108 Å²	108	35.9 Å²	35.9	47%	0.47	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	128.6	172.8	-56.4	-158.1	172.7	-164.6	0	109.3	E617 M621	E617-K630 IonicContact OE1-NZ 2.68Å; E617-K630 PolarHBondContact OE1-NZ 3.39Å; E617-K630 WeakPolarHBondContact OE2-CE 3.2Å; E617-K630 IonicContact OE2-NZ 3.42Å; E617-K630 PolarHBondContact OE2-NZ 3.27Å; M621-K630 HydrophobicContact CE-CG 3.91Å; M621-K630 HydrophobicContact SD-CB 4.15Å; M621-K630 HydrophobicContact SD-CG 3.79Å
631	S	95.8	Very high	94.7	Very high	5 Å²	5	36.1 Å²	36.1	4%	0.035	18%	0.182	C	C	.	.			trans	-126.3	-161.9	-173.5	-172.1	0	0	0	0	110.6	Y611 R619 W620 E635	Y611-S631 WeakPolarHBondContact CE1-OG 3.32Å; R619-S631 PolarHBondContact NE-O 3.41Å; R619-S631 PolarHBondContact NH2-O 3.18Å; R619-S631 VanDerWaalsContact NH2-O 3.13Å; W620-S631 CarbonylContact O-C 3.55Å; W620-S631 WeakPolarHBondContact O-CA 3.29Å; W620-S631 WeakPolarHBondContact O-CB 3.18Å; W620-S631 PolarHBondContact O-N 3.35Å; S631-E635 WeakPolarHBondContact CB-OE2 3.19Å; S631-E635 PolarHBondContact OG-OE2 3.04Å
632	S	95.4	Very high	94.1	Very high	43 Å²	43	35.9 Å²	35.9	30%	0.301	18%	0.181	S	C	.	.			trans	-148.4	175	176.5	81.6	0	0	0	0	111	E634 L636	S632-E634 VanDerWaalsContact C-N 3.31Å; S632-E634 WeakPolarHBondContact CB-OE2 3.26Å; S632-E634 PolarHBondContact OG-N 3.25Å; S632-E634 PolarHBondContact OG-OE2 3.38Å; S632-L636 PolarHBondContact O-N 3.01Å
633	W	96.3	Very high	93.2	Very high	51 Å²	51	37.3 Å²	37.3	19%	0.193	20%	0.203	C	C	.	.	H	α-helix	trans	-68.4	-32.6	177.8	173.3	-115.3	0	0	0	112.1	F395 Q397 L593 W620 L636 V637 F641	F395-W633 HydrophobicContact CD2-CH2 4.23Å; F395-W633 HydrophobicContact CE2-CH2 4.13Å; F395-W633 HydrophobicContact CE2-CZ3 4.41Å; F395-W633 WeakPolarHBondContact O-CH2 3.32Å; Q397-W633 HydrophobicContact CG-CD2 3.72Å; Q397-W633 HydrophobicContact CG-CE3 3.61Å; Q397-W633 HydrophobicContact CG-CH2 3.67Å; Q397-W633 HydrophobicContact CG-CZ2 3.76Å; Q397-W633 HydrophobicContact CG-CZ3 3.6Å; L593-W633 HydrophobicContact CD2-CH2 4.24Å; L593-W633 HydrophobicContact CD2-CZ3 3.87Å; W620-W633 HydrophobicContact CZ2-CE3 4.31Å; W620-W633 HydrophobicContact CZ2-CZ3 4.31Å; W620-W633 AromaticContact NE1-CE3 3.69Å; W633-L636 HydrophobicContact CE3-CD1 4.04Å; W633-L636 HydrophobicContact CE3-CD2 3.96Å; W633-L636 HydrophobicContact CE3-CG 4.44Å; W633-L636 HydrophobicContact CH2-CD2 4.34Å; W633-L636 HydrophobicContact CZ3-CD1 4.08Å; W633-L636 HydrophobicContact CZ3-CD2 3.63Å; W633-L636 HydrophobicContact CZ3-CG 4.46Å; W633-L636 WeakPolarHBondContact O-CB 3.32Å; W633-L636 PolarHBondContact O-N 3.02Å; W633-V637 HydrophobicContact CD2-CG2 3.89Å; W633-V637 VanDerWaalsContact CE2-CG2 3.45Å; W633-V637 HydrophobicContact CE3-CG2 4.44Å; W633-V637 HydrophobicContact CG-CG2 4.32Å; W633-V637 HydrophobicContact CH2-CG2 4.27Å; W633-V637 HydrophobicContact CZ2-CG2 3.68Å; W633-V637 WeakPolarHBondContact O-CB 3.45Å; W633-V637 VanDerWaalsContact O-CG2 3.28Å; W633-V637 WeakPolarHBondContact O-CG2 3.38Å; W633-V637 PolarHBondContact O-N 2.86Å; W633-F641 HydrophobicContact CZ2-CZ 4.34Å
634	E	94.8	Very high	91.8	Very high	124 Å²	124	42.8 Å²	42.8	58%	0.579	23%	0.225	S	C	*	.	H	α-helix	trans	-70.9	-39.2	-176.2	-56.1	65.8	-136.2	0	0	111.1	S632 R638	S632-E634 VanDerWaalsContact C-N 3.31Å; S632-E634 WeakPolarHBondContact CB-OE2 3.26Å; S632-E634 PolarHBondContact OG-N 3.25Å; S632-E634 PolarHBondContact OG-OE2 3.38Å; E634-R638 WeakPolarHBondContact O-CB 3.47Å; E634-R638 PolarHBondContact O-N 3.26Å; E634-R638 VanDerWaalsContact O-N 3.09Å
635	E	93.3	Very high	90.7	Very high	46 Å²	46	44 Å²	44	22%	0.215	23%	0.225	C	C	.	.	H	α-helix	trans	-66.3	-42.6	172.8	-160.4	-158.7	152.9	0	0	111.1	Y611 K622 S631 R638 D639	Y611-E635 PolarHBondContact OH-O 3.09Å; Y611-E635 PolarHBondContact OH-OE1 3.07Å; K622-E635 WeakPolarHBondContact CD-OE1 3.46Å; K622-E635 IonicContact NZ-OE1 2.64Å; K622-E635 PolarHBondContact NZ-OE1 3.42Å; S631-E635 WeakPolarHBondContact CB-OE2 3.19Å; S631-E635 PolarHBondContact OG-OE2 3.04Å; E635-R638 PolarHBondContact O-N 2.99Å; E635-D639 PolarHBondContact O-N 3.36Å; E635-D639 VanDerWaalsContact O-N 3.14Å
636	L	95.2	Very high	90.2	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-57.9	-53.5	174.8	-179.3	167.3	0	0	0	110.5	F395 V596 Y611 W620 S632 W633 R638 D639 S640	F395-L636 HydrophobicContact CE2-CD2 3.96Å; F395-L636 HydrophobicContact CZ-CD2 4.02Å; V596-L636 HydrophobicContact CG2-CD1 4.15Å; V596-L636 HydrophobicContact CG2-CD2 4.26Å; Y611-L636 HydrophobicContact CD1-CB 4.09Å; Y611-L636 HydrophobicContact CD1-CG 4.4Å; Y611-L636 HydrophobicContact CD2-CB 4.2Å; Y611-L636 HydrophobicContact CD2-CG 3.93Å; Y611-L636 HydrophobicContact CE1-CB 4.26Å; Y611-L636 HydrophobicContact CE2-CB 4.38Å; Y611-L636 HydrophobicContact CG-CB 4.03Å; Y611-L636 HydrophobicContact CG-CD1 4.06Å; Y611-L636 HydrophobicContact CG-CG 3.86Å; W620-L636 HydrophobicContact CD2-CD1 3.52Å; W620-L636 HydrophobicContact CE3-CD1 3.49Å; W620-L636 VanDerWaalsContact CE3-CD1 3.49Å; W620-L636 HydrophobicContact CG-CD1 4.23Å; W620-L636 HydrophobicContact CH2-CD1 3.86Å; W620-L636 HydrophobicContact CZ2-CD1 3.88Å; W620-L636 HydrophobicContact CZ3-CD1 3.66Å; S632-L636 PolarHBondContact O-N 3.01Å; W633-L636 HydrophobicContact CE3-CD1 4.04Å; W633-L636 HydrophobicContact CE3-CD2 3.96Å; W633-L636 HydrophobicContact CE3-CG 4.44Å; W633-L636 HydrophobicContact CH2-CD2 4.34Å; W633-L636 HydrophobicContact CZ3-CD1 4.08Å; W633-L636 HydrophobicContact CZ3-CD2 3.63Å; W633-L636 HydrophobicContact CZ3-CG 4.46Å; W633-L636 WeakPolarHBondContact O-CB 3.32Å; W633-L636 PolarHBondContact O-N 3.02Å; L636-R638 VanDerWaalsContact C-N 3.31Å; L636-R638 PolarHBondContact O-N 3.45Å; L636-D639 PolarHBondContact O-N 3.48Å; L636-S640 WeakPolarHBondContact O-CB 3.47Å; L636-S640 PolarHBondContact O-N 3.31Å; L636-S640 PolarHBondContact O-OG 2.85Å
637	V	94.8	Very high	90.1	Very high	28 Å²	28	46.7 Å²	46.7	17%	0.17	24%	0.24	C	C	.	.	H	α-helix	trans	-54	-47.1	179.3	163	0	0	0	0	111.4	W633 D639 S640 F641	W633-V637 HydrophobicContact CD2-CG2 3.89Å; W633-V637 VanDerWaalsContact CE2-CG2 3.45Å; W633-V637 HydrophobicContact CE3-CG2 4.44Å; W633-V637 HydrophobicContact CG-CG2 4.32Å; W633-V637 HydrophobicContact CH2-CG2 4.27Å; W633-V637 HydrophobicContact CZ2-CG2 3.68Å; W633-V637 WeakPolarHBondContact O-CB 3.45Å; W633-V637 VanDerWaalsContact O-CG2 3.28Å; W633-V637 WeakPolarHBondContact O-CG2 3.38Å; W633-V637 PolarHBondContact O-N 2.86Å; V637-D639 PolarHBondContact O-N 3.11Å; V637-S640 PolarHBondContact O-N 3.32Å; V637-F641 HydrophobicContact CB-CZ 4.49Å; V637-F641 HydrophobicContact CG1-CD1 4.44Å; V637-F641 HydrophobicContact CG1-CD2 3.72Å; V637-F641 HydrophobicContact CG1-CE1 4.5Å; V637-F641 HydrophobicContact CG1-CE2 3.78Å; V637-F641 HydrophobicContact CG1-CG 4.09Å; V637-F641 HydrophobicContact CG1-CZ 4.19Å; V637-F641 HydrophobicContact CG2-CE1 3.95Å; V637-F641 HydrophobicContact CG2-CE2 4.19Å; V637-F641 HydrophobicContact CG2-CZ 3.78Å; V637-F641 PolarHBondContact O-N 3.23Å
638	R	91.6	Very high	90.1	Very high	71 Å²	71	45.8 Å²	45.8	27%	0.268	23%	0.232	S	C	.	.	H	α-helix	trans	-59.6	-44.8	-179.7	-179.2	176	68.8	174	5.9	113.2	E634 E635 L636 E1094	E634-R638 WeakPolarHBondContact O-CB 3.47Å; E634-R638 PolarHBondContact O-N 3.26Å; E634-R638 VanDerWaalsContact O-N 3.09Å; E635-R638 PolarHBondContact O-N 2.99Å; L636-R638 VanDerWaalsContact C-N 3.31Å; L636-R638 PolarHBondContact O-N 3.45Å; R638-E1094 IonicContact CZ-OE1 3.62Å; R638-E1094 VanDerWaalsContact CZ-OE1 3.29Å; R638-E1094 IonicContact CZ-OE2 3.76Å; R638-E1094 IonicContact NH1-OE1 3.83Å; R638-E1094 PolarHBondContact NH1-OE1 3.36Å; R638-E1094 IonicContact NH1-OE2 2.61Å; R638-E1094 PolarHBondContact NH1-OE2 3.34Å; R638-E1094 IonicContact NH2-OE1 2.72Å; R638-E1094 PolarHBondContact NH2-OE1 3.11Å; R638-E1094 IonicContact NH2-OE2 2.74Å
639	D	92.7	Very high	90	Very high	5 Å²	5	44.2 Å²	44.2	3%	0.027	22%	0.223	C	C	.	.	H	α-helix	trans	-82.7	-18	-179.5	-76	8.2	0	0	0	112.5	V598 W609 Y611 K622 E635 L636 V637 R645 A647 S648	V598-D639 WeakPolarHBondContact CG1-O 3.19Å; W609-D639 HydrophobicContact CZ2-CB 4.23Å; Y611-D639 HydrophobicContact CE2-CB 4Å; Y611-D639 PolarHBondContact OH-OD2 3.37Å; K622-D639 IonicContact NZ-OD2 3.54Å; K622-D639 PolarHBondContact NZ-OD2 2.91Å; E635-D639 PolarHBondContact O-N 3.36Å; E635-D639 VanDerWaalsContact O-N 3.14Å; L636-D639 PolarHBondContact O-N 3.48Å; V637-D639 PolarHBondContact O-N 3.11Å; D639-R645 IonicContact OD1-NH1 3.09Å; D639-R645 PolarHBondContact OD1-NH1 3.18Å; D639-R645 VanDerWaalsContact OD1-NH1 3.13Å; D639-A647 CarbonylContact O-C 3.59Å; D639-A647 WeakPolarHBondContact O-CB 3.44Å; D639-S648 PolarHBondContact O-N 3.32Å
640	S	94.1	Very high	89.7	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-109.8	-35.5	-166.4	-54.8	0	0	0	0	116.1	V598 L636 V637 G642 A649	V598-S640 WeakPolarHBondContact CG2-OG 3.31Å; L636-S640 WeakPolarHBondContact O-CB 3.47Å; L636-S640 PolarHBondContact O-N 3.31Å; L636-S640 PolarHBondContact O-OG 2.85Å; V637-S640 PolarHBondContact O-N 3.32Å; S640-G642 VanDerWaalsContact C-N 3.26Å; S640-G642 PolarHBondContact O-N 3.49Å; S640-A649 WeakPolarHBondContact O-CB 3.38Å; S640-A649 PolarHBondContact O-N 3.08Å
641	F	94.1	Very high	89.7	Confident	14 Å²	14	37.2 Å²	37.2	6%	0.061	19%	0.187	C	C	.	.	S	Bend	trans	-70	-25.1	-174.5	-78	11.6	0	0	0	112.6	R376 K392 L393 E394 F395 W633 V637	R376-F641 PolarHBondContact NH2-O 3.44Å; K392-F641 WeakPolarHBondContact CA-O 3.25Å; K392-F641 HydrophobicContact CG-CB 4.06Å; K392-F641 HydrophobicContact CG-CD2 4.49Å; L393-F641 PolarHBondContact N-O 2.83Å; L393-F641 WeakPolarHBondContact O-CB 3.43Å; L393-F641 WeakPolarHBondContact O-CD1 3.46Å; L393-F641 VanDerWaalsContact O-CG 3.29Å; L393-F641 WeakPolarHBondContact O-CG 3.28Å; E394-F641 HydrophobicContact CB-CD2 4.22Å; E394-F641 HydrophobicContact CB-CE2 3.76Å; E394-F641 HydrophobicContact CB-CZ 4.21Å; E394-F641 HydrophobicContact CG-CD2 3.9Å; E394-F641 HydrophobicContact CG-CE2 3.79Å; F395-F641 AromaticContact CD1-CD1 3.82Å; F395-F641 HydrophobicContact CD1-CD1 3.82Å; F395-F641 AromaticContact CD1-CE1 3.72Å; F395-F641 HydrophobicContact CD1-CE1 3.72Å; F395-F641 AromaticContact CD2-CE1 3.98Å; F395-F641 HydrophobicContact CD2-CE1 3.98Å; F395-F641 AromaticContact CE1-CD1 3.47Å; F395-F641 HydrophobicContact CE1-CD1 3.47Å; F395-F641 VanDerWaalsContact CE1-CD1 3.47Å; F395-F641 AromaticContact CE1-CE1 3.65Å; F395-F641 HydrophobicContact CE1-CE1 3.65Å; F395-F641 HydrophobicContact CE2-CD1 4.43Å; F395-F641 AromaticContact CE2-CE1 3.88Å; F395-F641 HydrophobicContact CE2-CE1 3.88Å; F395-F641 HydrophobicContact CG-CD1 4.45Å; F395-F641 AromaticContact CG-CE1 3.89Å; F395-F641 HydrophobicContact CG-CE1 3.89Å; F395-F641 AromaticContact CZ-CD1 3.81Å; F395-F641 HydrophobicContact CZ-CD1 3.81Å; F395-F641 AromaticContact CZ-CE1 3.73Å; F395-F641 HydrophobicContact CZ-CE1 3.73Å; W633-F641 HydrophobicContact CZ2-CZ 4.34Å; V637-F641 HydrophobicContact CB-CZ 4.49Å; V637-F641 HydrophobicContact CG1-CD1 4.44Å; V637-F641 HydrophobicContact CG1-CD2 3.72Å; V637-F641 HydrophobicContact CG1-CE1 4.5Å; V637-F641 HydrophobicContact CG1-CE2 3.78Å; V637-F641 HydrophobicContact CG1-CG 4.09Å; V637-F641 HydrophobicContact CG1-CZ 4.19Å; V637-F641 HydrophobicContact CG2-CE1 3.95Å; V637-F641 HydrophobicContact CG2-CE2 4.19Å; V637-F641 HydrophobicContact CG2-CZ 3.78Å; V637-F641 PolarHBondContact O-N 3.23Å
642	G	85.3	Confident	89.8	Confident	1 Å²	1	37 Å²	37	1%	0.01	19%	0.185	C	C	.	.	S	Bend	trans	88.3	167	-169	0	0	0	0	0	112.2	H390 S640 Y644	H390-G642 CarbonylContact O-C 3.5Å; S640-G642 VanDerWaalsContact C-N 3.26Å; S640-G642 PolarHBondContact O-N 3.49Å; G642-Y644 VanDerWaalsContact C-N 3.27Å; G642-Y644 PolarHBondContact O-N 3.21Å
643	G	78.7	Confident	89.8	Confident	56 Å²	56	35.1 Å²	35.1	58%	0.577	17%	0.172	S	C	*	.	S	Bend	trans	83.7	-17.5	176.7	0	0	0	0	0	115.8	H390	H390-G643 VanDerWaalsContact O-CA 3.28Å; H390-G643 WeakPolarHBondContact O-CA 3.26Å; H390-G643 PolarHBondContact O-N 3.2Å
644	Y	66.9	Low	89.9	Confident	126 Å²	126	32.7 Å²	32.7	49%	0.494	16%	0.163	S	C	.	.	S	Bend	trans	-99.1	-26.3	178.1	-59.7	-70.1	0	0	0	114.1	K392 G642	K392-Y644 HydrophobicContact CD-CE2 4.42Å; K392-Y644 WeakPolarHBondContact CE-OH 3.35Å; K392-Y644 PolarHBondContact NZ-OH 3.45Å; G642-Y644 VanDerWaalsContact C-N 3.27Å; G642-Y644 PolarHBondContact O-N 3.21Å
645	R	72.9	Confident	90	Very high	82 Å²	82	27.1 Å²	27.1	31%	0.309	14%	0.136	S	C	.	.	S	Bend	trans	-151.7	173.1	-177.1	-68.7	-172.7	167.3	165.2	-6.8	109.3	D639 A647 E1094	D639-R645 IonicContact OD1-NH1 3.09Å; D639-R645 PolarHBondContact OD1-NH1 3.18Å; D639-R645 VanDerWaalsContact OD1-NH1 3.13Å; R645-A647 HydrophobicContact CB-CB 4.34Å; R645-A647 PolarHBondContact O-N 2.84Å; R645-E1094 IonicContact CZ-OE2 2.76Å; R645-E1094 IonicContact NH2-OE2 3.18Å; R645-E1094 PolarHBondContact NH2-OE2 3.32Å
646	N	83.6	Confident	90.1	Very high	95 Å²	95	26.6 Å²	26.6	51%	0.508	14%	0.135	S	C	.	.	S	Bend	trans	-72.5	-7.2	174.1	-59.8	6.9	0	0	0	112.3	K388 E600	K388-N646 PolarHBondContact NZ-O 3.12Å; E600-N646 HydrophobicContact CG-CB 4.11Å
647	A	89.7	Confident	89.9	Confident	2 Å²	2	29.2 Å²	29.2	2%	0.017	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	145.5	171.7	0	0	0	0	0	112.6	V598 H599 E600 W609 D639 R645	V598-A647 HydrophobicContact CG1-CB 4.04Å; H599-A647 WeakPolarHBondContact O-CA 3.28Å; E600-A647 HydrophobicContact CB-CB 4.06Å; W609-A647 HydrophobicContact CH2-CB 3.82Å; W609-A647 HydrophobicContact CZ2-CB 3.94Å; D639-A647 CarbonylContact O-C 3.59Å; D639-A647 WeakPolarHBondContact O-CB 3.44Å; R645-A647 HydrophobicContact CB-CB 4.34Å; R645-A647 PolarHBondContact O-N 2.84Å
648	S	92.1	Very high	89.6	Confident	4 Å²	4	34.2 Å²	34.2	3%	0.028	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	150.1	171.1	64.9	0	0	0	0	111.2	R376 K388 H599 D639 Y650	R376-S648 WeakPolarHBondContact CD-OG 3.5Å; K388-S648 WeakPolarHBondContact CE-OG 3.42Å; K388-S648 PolarHBondContact NZ-OG 3.35Å; H599-S648 PolarHBondContact N-O 3.34Å; H599-S648 PolarHBondContact O-N 2.86Å; D639-S648 PolarHBondContact O-N 3.32Å; S648-Y650 PolarHBondContact O-N 2.83Å
649	A	93.9	Very high	89.4	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61	135.9	167.5	0	0	0	0	0	110.9	L374 R376 F395 V596 L597 S640 L652	L374-A649 HydrophobicContact CD1-CB 3.93Å; R376-A649 PolarHBondContact NE-O 2.84Å; F395-A649 HydrophobicContact CE1-CB 4.05Å; F395-A649 HydrophobicContact CZ-CB 4.4Å; V596-A649 HydrophobicContact CG1-CB 3.74Å; L597-A649 WeakPolarHBondContact O-CA 3.33Å; S640-A649 WeakPolarHBondContact O-CB 3.38Å; S640-A649 PolarHBondContact O-N 3.08Å; A649-L652 HydrophobicContact CB-CD2 4.09Å
650	Y	89.1	Confident	88.6	Confident	23 Å²	23	37 Å²	37	9%	0.09	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	-24.1	169.9	84.6	-93.6	0	0	0	112	V263 L374 L597 H599 Y608 S648	V263-Y650 HydrophobicContact CB-CE2 4.06Å; V263-Y650 HydrophobicContact CG1-CE2 4.08Å; V263-Y650 WeakPolarHBondContact CG1-OH 3.01Å; L374-Y650 PolarHBondContact N-O 3.07Å; L597-Y650 HydrophobicContact CB-CD1 4.11Å; L597-Y650 HydrophobicContact CB-CE1 3.34Å; L597-Y650 VanDerWaalsContact CD2-OH 3.26Å; L597-Y650 WeakPolarHBondContact CD2-OH 3.36Å; L597-Y650 WeakPolarHBondContact O-CD1 3.48Å; L597-Y650 PolarHBondContact O-N 3.19Å; H599-Y650 HydrophobicContact CB-CD1 4.25Å; Y608-Y650 AromaticContact CD1-CD1 4Å; Y608-Y650 HydrophobicContact CD1-CD1 4Å; Y608-Y650 AromaticContact CD1-CE1 3.72Å; Y608-Y650 HydrophobicContact CD1-CE1 3.72Å; Y608-Y650 AromaticContact CE1-CD1 3.92Å; Y608-Y650 HydrophobicContact CE1-CD1 3.92Å; Y608-Y650 AromaticContact CE1-CE1 3.95Å; Y608-Y650 HydrophobicContact CE1-CE1 3.95Å; S648-Y650 PolarHBondContact O-N 2.83Å
651	C	93.4	Very high	88	Confident	6 Å²	6	41.6 Å²	41.6	4%	0.041	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	137.5	176.9	178.7	0	0	0	0	111.6	F372 L597	F372-C651 VanDerWaalsContact O-CA 3.29Å; F372-C651 WeakPolarHBondContact O-CA 3.35Å; L597-C651 HydrophobicContact CB-CB 4.36Å; L597-C651 HydrophobicContact CD1-CB 4.4Å; L597-C651 PolarHBondContact N-O 3.21Å; L597-C651 PolarHBondContact O-N 3.05Å
652	L	97.3	Very high	87.2	Confident	0 Å²	0	41 Å²	41	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	126.4	173.7	-52.4	-179.8	0	0	0	109.5	L333 T371 F372 L374 F395 L593 V596 A649 Y654	L333-L652 HydrophobicContact CD1-CD1 4.27Å; L333-L652 HydrophobicContact CD2-CD1 3.82Å; T371-L652 CarbonylContact C-O 3.41Å; T371-L652 WeakPolarHBondContact CA-O 3.47Å; F372-L652 HydrophobicContact CB-CB 4.41Å; F372-L652 PolarHBondContact N-O 3.06Å; F372-L652 PolarHBondContact O-N 3.12Å; L374-L652 HydrophobicContact CD1-CD1 4.02Å; L374-L652 HydrophobicContact CD1-CD2 4.11Å; L374-L652 HydrophobicContact CD1-CG 3.83Å; L374-L652 HydrophobicContact CD2-CD1 4.45Å; L374-L652 HydrophobicContact CG-CG 4.28Å; F395-L652 HydrophobicContact CB-CD1 3.81Å; F395-L652 HydrophobicContact CD1-CD1 3.91Å; F395-L652 HydrophobicContact CD1-CD2 3.95Å; F395-L652 HydrophobicContact CD2-CD1 4.16Å; F395-L652 HydrophobicContact CD2-CD2 4.02Å; F395-L652 HydrophobicContact CE1-CD2 3.73Å; F395-L652 HydrophobicContact CE2-CD2 3.84Å; F395-L652 HydrophobicContact CG-CD1 3.69Å; F395-L652 HydrophobicContact CG-CD2 4.09Å; F395-L652 HydrophobicContact CZ-CD2 3.68Å; L593-L652 HydrophobicContact CD1-CB 4.14Å; V596-L652 HydrophobicContact CB-CD2 4.42Å; V596-L652 HydrophobicContact CG1-CD2 3.93Å; V596-L652 HydrophobicContact CG2-CD2 3.95Å; A649-L652 HydrophobicContact CB-CD2 4.09Å; L652-Y654 HydrophobicContact CB-CD2 4.24Å; L652-Y654 HydrophobicContact CB-CE2 3.8Å; L652-Y654 HydrophobicContact CD1-CE2 4.09Å
653	M	96.5	Very high	86.8	Confident	4 Å²	4	43.2 Å²	43.2	2%	0.02	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	108.7	179.8	-176.8	-171.8	-175.2	0	0	109.3	L187 L190 F299 V369 T371 H594 A595	L187-M653 HydrophobicContact CD2-CE 4.19Å; L190-M653 HydrophobicContact CB-CE 4.22Å; L190-M653 HydrophobicContact CD2-CE 3.89Å; F299-M653 HydrophobicContact CE1-CE 4.38Å; V369-M653 HydrophobicContact CG1-CE 3.6Å; V369-M653 HydrophobicContact CG1-CG 3.94Å; T371-M653 HydrophobicContact CG2-CB 4.21Å; T371-M653 HydrophobicContact CG2-CG 4.06Å; H594-M653 PolarHBondContact N-O 3.08Å; A595-M653 HydrophobicContact CB-CB 4.08Å; A595-M653 HydrophobicContact CB-SD 4.06Å; A595-M653 PolarHBondContact N-O 3.31Å; A595-M653 PolarHBondContact O-N 3.03Å
654	Y	97.8	Very high	86.6	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	151.2	176.6	-71.5	-97	0	0	0	111.3	L333 V369 L370 F372 P396 L399 R592 L593 L652	L333-Y654 HydrophobicContact CD2-CE2 3.97Å; L333-Y654 VanDerWaalsContact CD2-OH 3.28Å; L333-Y654 WeakPolarHBondContact CD2-OH 3.34Å; V369-Y654 CarbonylContact C-O 3.59Å; V369-Y654 WeakPolarHBondContact CA-O 3.48Å; L370-Y654 PolarHBondContact N-O 3.14Å; L370-Y654 PolarHBondContact O-N 3.09Å; F372-Y654 AromaticContact CD2-CD2 3.81Å; F372-Y654 HydrophobicContact CD2-CD2 3.81Å; F372-Y654 AromaticContact CD2-CE2 3.87Å; F372-Y654 HydrophobicContact CD2-CE2 3.87Å; F372-Y654 AromaticContact CE2-CD2 3.88Å; F372-Y654 HydrophobicContact CE2-CD2 3.88Å; F372-Y654 HydrophobicContact CE2-CE2 4.05Å; P396-Y654 PolarHBondContact O-OH 3.41Å; P396-Y654 VanDerWaalsContact O-OH 3.09Å; L399-Y654 HydrophobicContact CB-CD1 4.03Å; L399-Y654 HydrophobicContact CB-CE1 3.62Å; L399-Y654 HydrophobicContact CD2-CE1 4.42Å; L399-Y654 HydrophobicContact CD2-CE2 4.3Å; R592-Y654 CarbonylContact O-C 3.37Å; R592-Y654 WeakPolarHBondContact O-CA 3.45Å; L593-Y654 HydrophobicContact CB-CD1 3.93Å; L593-Y654 HydrophobicContact CB-CE1 3.7Å; L593-Y654 HydrophobicContact CD1-CD1 4.17Å; L593-Y654 HydrophobicContact CD1-CD2 3.95Å; L593-Y654 HydrophobicContact CD1-CE1 3.89Å; L593-Y654 HydrophobicContact CD1-CE2 3.67Å; L593-Y654 HydrophobicContact CD1-CG 4.2Å; L593-Y654 HydrophobicContact CG-CE1 4.34Å; L652-Y654 HydrophobicContact CB-CD2 4.24Å; L652-Y654 HydrophobicContact CB-CE2 3.8Å; L652-Y654 HydrophobicContact CD1-CE2 4.09Å
655	I	96.4	Very high	86.7	Confident	6 Å²	6	42.4 Å²	42.4	3%	0.031	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	144.6	172.4	63.9	174.3	0	0	0	111.1	L190 P368 V369 Y591 R592 H594 D657 L662 I663	L190-I655 HydrophobicContact CD1-CG2 4Å; P368-I655 WeakPolarHBondContact O-CA 3.37Å; V369-I655 HydrophobicContact CG1-CG2 4.33Å; V369-I655 HydrophobicContact CG2-CG2 4.2Å; Y591-I655 CarbonylContact C-O 3.52Å; Y591-I655 VanDerWaalsContact CA-O 3.26Å; Y591-I655 WeakPolarHBondContact CA-O 3.34Å; R592-I655 PolarHBondContact N-O 2.92Å; R592-I655 PolarHBondContact O-N 3.4Å; H594-I655 HydrophobicContact CB-CD1 4.29Å; H594-I655 HydrophobicContact CB-CG1 4.16Å; H594-I655 HydrophobicContact CB-CG2 3.82Å; I655-D657 PolarHBondContact O-N 2.62Å; I655-L662 HydrophobicContact CB-CD1 3.97Å; I655-L662 HydrophobicContact CG2-CD1 4.37Å; I655-I663 HydrophobicContact CD1-CG2 3.56Å
656	N	95.8	Very high	86.3	Confident	35 Å²	35	41.6 Å²	41.6	19%	0.187	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	116.9	178.7	-171.8	-40.3	0	0	0	110.6	P368 Y591 K658 A659	P368-N656 PolarHBondContact O-N 2.97Å; Y591-N656 HydrophobicContact CD1-CB 4.31Å; Y591-N656 HydrophobicContact CD2-CB 4.42Å; Y591-N656 HydrophobicContact CE1-CB 3.76Å; Y591-N656 HydrophobicContact CE2-CB 3.87Å; Y591-N656 WeakPolarHBondContact CE2-ND2 3.47Å; Y591-N656 PolarHBondContact OH-ND2 2.94Å; N656-K658 PolarHBondContact O-N 3.37Å; N656-K658 VanDerWaalsContact O-N 3.14Å; N656-K658 WeakPolarHBondContact OD1-CB 3.45Å; N656-K658 PolarHBondContact OD1-N 2.77Å; N656-A659 HydrophobicContact CB-CB 3.9Å; N656-A659 WeakPolarHBondContact O-CB 3.26Å; N656-A659 PolarHBondContact O-N 3.13Å
657	D	91	Very high	85.2	Confident	55 Å²	55	43.2 Å²	43.2	29%	0.294	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-18.7	-174.3	-165	18.5	0	0	0	112.8	P590 R592 I655	P590-D657 HydrophobicContact CB-CB 4.05Å; P590-D657 HydrophobicContact CG-CB 4.02Å; P590-D657 WeakPolarHBondContact O-CB 3.26Å; P590-D657 PolarHBondContact O-N 3.11Å; R592-D657 IonicContact CZ-OD1 3.43Å; R592-D657 IonicContact CZ-OD2 2.9Å; R592-D657 VanDerWaalsContact NH1-CG 3.28Å; R592-D657 IonicContact NH1-OD1 3.97Å; R592-D657 PolarHBondContact NH1-OD1 3.35Å; R592-D657 IonicContact NH1-OD2 2.81Å; R592-D657 VanDerWaalsContact NH2-CG 3.31Å; R592-D657 IonicContact NH2-OD1 2.71Å; R592-D657 PolarHBondContact NH2-OD1 3.2Å; R592-D657 IonicContact NH2-OD2 3.27Å; R592-D657 PolarHBondContact NH2-OD2 3.44Å; I655-D657 PolarHBondContact O-N 2.62Å
658	K	89.7	Confident	83.8	Confident	133 Å²	133	45.2 Å²	45.2	58%	0.578	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-16.2	174.2	-60.1	-175.1	170.9	-179.9	0	112.6	Q588 N656 Q660	Q588-K658 WeakPolarHBondContact O-CE 3.45Å; Q588-K658 PolarHBondContact O-NZ 3.5Å; N656-K658 PolarHBondContact O-N 3.37Å; N656-K658 VanDerWaalsContact O-N 3.14Å; N656-K658 WeakPolarHBondContact OD1-CB 3.45Å; N656-K658 PolarHBondContact OD1-N 2.77Å; K658-Q660 PolarHBondContact O-N 3.46Å
659	A	86.5	Confident	82.5	Confident	15 Å²	15	55.2 Å²	55.2	12%	0.124	26%	0.258	C	S	.	.			trans	-91.9	60.5	-177.5	0	0	0	0	0	112.1	N656 F661 L662	N656-A659 HydrophobicContact CB-CB 3.9Å; N656-A659 WeakPolarHBondContact O-CB 3.26Å; N656-A659 PolarHBondContact O-N 3.13Å; A659-F661 HydrophobicContact CB-CD1 4.19Å; A659-F661 HydrophobicContact CB-CE1 3.67Å; A659-F661 HydrophobicContact CB-CZ 4.26Å; A659-F661 PolarHBondContact O-N 2.71Å; A659-L662 HydrophobicContact CB-CD1 3.83Å; A659-L662 HydrophobicContact CB-CG 4.15Å; A659-L662 WeakPolarHBondContact O-CB 3.3Å; A659-L662 VanDerWaalsContact O-CG 3.29Å; A659-L662 WeakPolarHBondContact O-CG 3.24Å; A659-L662 PolarHBondContact O-N 2.77Å; A659-L662 VanDerWaalsContact O-N 3.12Å
660	Q	75.9	Confident	80.4	Confident	119 Å²	119	64.1 Å²	64.1	56%	0.556	30%	0.299	S	S	*	.	G	3₁₀ helix	trans	-56.3	-23.3	-172.6	-69.6	-171.1	-14.1	0	0	115.4	K658 L662 I663 Q664	K658-Q660 PolarHBondContact O-N 3.46Å; Q660-L662 PolarHBondContact O-N 3.07Å; Q660-L662 VanDerWaalsContact O-N 3.15Å; Q660-I663 WeakPolarHBondContact O-CG1 3.15Å; Q660-I663 PolarHBondContact O-N 2.79Å; Q660-Q664 HydrophobicContact CB-CG 4.43Å; Q660-Q664 WeakPolarHBondContact O-CG 3.44Å; Q660-Q664 PolarHBondContact O-N 3.41Å
661	F	80.6	Confident	78.7	Confident	98 Å²	98	67 Å²	67	43%	0.43	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-56.4	-29.8	177.6	67.7	-93.4	0	0	0	113.1	E192 R195 P368 A659 I663	E192-F661 HydrophobicContact CG-CD2 4.07Å; E192-F661 HydrophobicContact CG-CE2 4.26Å; R195-F661 PolarHBondContact NH1-O 3.47Å; P368-F661 HydrophobicContact CB-CZ 4.42Å; P368-F661 HydrophobicContact CG-CZ 4.48Å; A659-F661 HydrophobicContact CB-CD1 4.19Å; A659-F661 HydrophobicContact CB-CE1 3.67Å; A659-F661 HydrophobicContact CB-CZ 4.26Å; A659-F661 PolarHBondContact O-N 2.71Å; F661-I663 PolarHBondContact O-N 3.4Å; F661-I663 VanDerWaalsContact O-N 3.14Å
662	L	78.6	Confident	76.8	Confident	0 Å²	0	69.3 Å²	69.3	0%	0	34%	0.344	C	S	.	.	G	3₁₀ helix	trans	-57	-27.2	176.1	-61.8	176.3	0	0	0	113.7	L190 L191 E192 L298 P368 V369 I655 A659 Q660	L190-L662 HydrophobicContact CD1-CB 4.15Å; L190-L662 HydrophobicContact CD1-CD2 4.31Å; L191-L662 PolarHBondContact N-O 3.34Å; E192-L662 HydrophobicContact CB-CD2 4.3Å; L298-L662 HydrophobicContact CD1-CD2 3.46Å; L298-L662 VanDerWaalsContact CD1-CD2 3.46Å; P368-L662 HydrophobicContact CB-CD1 3.96Å; P368-L662 HydrophobicContact CB-CD2 4.17Å; P368-L662 WeakPolarHBondContact O-CD1 3.48Å; V369-L662 HydrophobicContact CG2-CD1 4.34Å; V369-L662 HydrophobicContact CG2-CD2 4.25Å; I655-L662 HydrophobicContact CB-CD1 3.97Å; I655-L662 HydrophobicContact CG2-CD1 4.37Å; A659-L662 HydrophobicContact CB-CD1 3.83Å; A659-L662 HydrophobicContact CB-CG 4.15Å; A659-L662 WeakPolarHBondContact O-CB 3.3Å; A659-L662 VanDerWaalsContact O-CG 3.29Å; A659-L662 WeakPolarHBondContact O-CG 3.24Å; A659-L662 PolarHBondContact O-N 2.77Å; A659-L662 VanDerWaalsContact O-N 3.12Å; Q660-L662 PolarHBondContact O-N 3.07Å; Q660-L662 VanDerWaalsContact O-N 3.15Å
663	I	76.9	Confident	74.6	Confident	49 Å²	49	75.6 Å²	75.6	25%	0.251	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-130.5	-1.9	-170.4	61.7	169.6	0	0	0	114.7	L191 I655 Q660 F661	L191-I663 WeakPolarHBondContact CD1-O 3.3Å; I655-I663 HydrophobicContact CD1-CG2 3.56Å; Q660-I663 WeakPolarHBondContact O-CG1 3.15Å; Q660-I663 PolarHBondContact O-N 2.79Å; F661-I663 PolarHBondContact O-N 3.4Å; F661-I663 VanDerWaalsContact O-N 3.14Å
664	Q	74.3	Confident	72.9	Confident	101 Å²	101	78.1 Å²	78.1	47%	0.472	39%	0.39	S	S	.	.	P	Polyproline II helix	trans	-68.6	141.1	170.7	-78.3	170.2	2.7	0	0	110.3	R195 Q660	R195-Q664 PolarHBondContact NH2-O 3.42Å; Q660-Q664 HydrophobicContact CB-CG 4.43Å; Q660-Q664 WeakPolarHBondContact O-CG 3.44Å; Q660-Q664 PolarHBondContact O-N 3.41Å
665	E	69.4	Low	71.3	Confident	64 Å²	64	79.7 Å²	79.7	30%	0.299	40%	0.398	S	S	.	.	P	Polyproline II helix	trans	-81.8	158.9	168	-68.9	-176.3	154.3	0	0	110.5	L191 R616	L191-E665 HydrophobicContact CD1-CG 4.22Å; R616-E665 IonicContact CZ-OE1 2.71Å; R616-E665 IonicContact NH1-OE1 3.46Å; R616-E665 PolarHBondContact NH1-OE1 2.96Å
666	E	63	Low	69.9	Low	65 Å²	65	83.7 Å²	83.7	30%	0.304	42%	0.423	S	S	.	.	P	Polyproline II helix	trans	-80.9	149.8	178.7	-67.6	-173.8	-164	0	0	112.1	R195 P674 L675	R195-E666 WeakPolarHBondContact CD-OE1 3.15Å; R195-E666 VanDerWaalsContact CG-OE1 3.3Å; R195-E666 WeakPolarHBondContact CG-OE1 3.5Å; R195-E666 IonicContact CZ-OE1 3.59Å; R195-E666 IonicContact NE-OE1 3.06Å; R195-E666 PolarHBondContact NE-OE1 3.24Å; E666-P674 CarbonylContact O-C 3.5Å; E666-P674 VanDerWaalsContact O-CA 3.24Å; E666-P674 WeakPolarHBondContact O-CA 3.39Å; E666-L675 HydrophobicContact CB-CD1 4.2Å; E666-L675 PolarHBondContact O-N 2.64Å
667	F	61.1	Low	68.8	Low	129 Å²	129	83.5 Å²	83.5	57%	0.566	43%	0.429	S	S	*	.	B	Isolated β-bridge	trans	-112.7	137.7	175.4	-68.2	-96.6	0	0	0	111.4	K669 Q673 P674	F667-K669 PolarHBondContact O-N 3.02Å; F667-Q673 CarbonylContact C-O 3.38Å; F667-Q673 WeakPolarHBondContact CA-O 3.42Å; F667-P674 HydrophobicContact CD1-CB 4.32Å; F667-P674 HydrophobicContact CE1-CB 4.16Å
668	N	60.3	Low	68.2	Low	44 Å²	44	83 Å²	83	24%	0.235	43%	0.426	C	S	.	.			trans	-63.1	122.2	173.2	-179	-40.3	0	0	0	109.3	E670 T671 G672 Q673 L675	N668-E670 PolarHBondContact O-N 3.35Å; N668-E670 PolarHBondContact OD1-N 2.74Å; N668-T671 VanDerWaalsContact CB-OG1 3.31Å; N668-T671 WeakPolarHBondContact CB-OG1 3.36Å; N668-T671 VanDerWaalsContact CG-OG1 3.22Å; N668-T671 PolarHBondContact OD1-N 3.3Å; N668-T671 VanDerWaalsContact OD1-N 3.1Å; N668-G672 WeakPolarHBondContact O-CA 3.45Å; N668-G672 PolarHBondContact O-N 3.37Å; N668-Q673 WeakPolarHBondContact CB-O 3.09Å; N668-Q673 PolarHBondContact N-O 3.37Å; N668-L675 HydrophobicContact CB-CD2 3.84Å; N668-L675 HydrophobicContact CB-CG 4.03Å
669	K	64.2	Low	67.8	Low	214 Å²	214	81.9 Å²	81.9	93%	0.93	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-15.5	-173.6	-63.4	179	-178	175.2	0	114.1	F667	F667-K669 PolarHBondContact O-N 3.02Å
670	E	50.9	Low	67.6	Low	187 Å²	187	82.7 Å²	82.7	87%	0.874	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.2	-37.8	-179.8	-60.4	-175.6	170.8	0	0	112.4	N668	N668-E670 PolarHBondContact O-N 3.35Å; N668-E670 PolarHBondContact OD1-N 2.74Å
671	T	54.1	Low	68.2	Low	83 Å²	83	77.2 Å²	77.2	51%	0.509	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.8	-16.3	-176.7	70.8	0	0	0	0	114.6	N668 Q673	N668-T671 VanDerWaalsContact CB-OG1 3.31Å; N668-T671 WeakPolarHBondContact CB-OG1 3.36Å; N668-T671 VanDerWaalsContact CG-OG1 3.22Å; N668-T671 PolarHBondContact OD1-N 3.3Å; N668-T671 VanDerWaalsContact OD1-N 3.1Å; T671-Q673 PolarHBondContact O-N 3.01Å; T671-Q673 PolarHBondContact OG1-N 2.73Å
672	G	52.2	Low	68.7	Low	55 Å²	55	73.5 Å²	73.5	57%	0.567	39%	0.386	S	S	*	.			trans	69.2	6.6	-176.5	0	0	0	0	0	115	N668	N668-G672 WeakPolarHBondContact O-CA 3.45Å; N668-G672 PolarHBondContact O-N 3.37Å
673	Q	52.4	Low	69.1	Low	132 Å²	132	77.8 Å²	77.8	62%	0.617	41%	0.414	S	S	*	.	S	Bend	trans	-89	151.7	175.4	-66.9	-176.4	-29.5	0	0	111	F667 N668 T671	F667-Q673 CarbonylContact C-O 3.38Å; F667-Q673 WeakPolarHBondContact CA-O 3.42Å; N668-Q673 WeakPolarHBondContact CB-O 3.09Å; N668-Q673 PolarHBondContact N-O 3.37Å; T671-Q673 PolarHBondContact O-N 3.01Å; T671-Q673 PolarHBondContact OG1-N 2.73Å
674	P	60.8	Low	69.7	Low	57 Å²	57	78.9 Å²	78.9	37%	0.37	42%	0.42	S	S	.	.	B	Isolated β-bridge	trans	-62.9	136.7	172.4	27.3	-34	0	0	0	110.6	E666 F667	E666-P674 CarbonylContact O-C 3.5Å; E666-P674 VanDerWaalsContact O-CA 3.24Å; E666-P674 WeakPolarHBondContact O-CA 3.39Å; F667-P674 HydrophobicContact CD1-CB 4.32Å; F667-P674 HydrophobicContact CE1-CB 4.16Å
675	L	62.5	Low	70.6	Confident	33 Å²	33	74 Å²	74	17%	0.173	40%	0.398	C	S	.	.	P	Polyproline II helix	trans	-77.4	126.1	172.7	-70.6	165.4	0	0	0	108.9	E666 N668 E679 T680	E666-L675 HydrophobicContact CB-CD1 4.2Å; E666-L675 PolarHBondContact O-N 2.64Å; N668-L675 HydrophobicContact CB-CD2 3.84Å; N668-L675 HydrophobicContact CB-CG 4.03Å; L675-E679 HydrophobicContact CD2-CB 4.02Å; L675-T680 HydrophobicContact CB-CG2 3.71Å; L675-T680 VanDerWaalsContact O-CG2 3.3Å; L675-T680 WeakPolarHBondContact O-CG2 3.46Å
676	V	66.8	Low	71.7	Confident	90 Å²	90	74.7 Å²	74.7	55%	0.545	40%	0.398	S	S	.	.			trans	-124.4	131.7	-172.5	-176.5	0	0	0	0	111.6	I678 E679	V676-I678 PolarHBondContact O-N 2.61Å; V676-E679 PolarHBondContact O-N 3.1Å
677	G	72.5	Confident	73.1	Confident	30 Å²	30	76.5 Å²	76.5	31%	0.309	41%	0.409	S	S	.	.	G	3₁₀ helix	trans	65	-128.6	174	0	0	0	0	0	112.7	V233 E679 T680	V233-G677 VanDerWaalsContact CG1-O 3.23Å; V233-G677 WeakPolarHBondContact CG1-O 3.47Å; G677-E679 PolarHBondContact O-N 3.36Å; G677-E679 VanDerWaalsContact O-N 3.08Å; G677-T680 PolarHBondContact O-N 2.8Å; G677-T680 VanDerWaalsContact O-N 3.15Å; G677-T680 PolarHBondContact O-OG1 3.07Å; G677-T680 VanDerWaalsContact O-OG1 3.14Å
678	I	80.4	Confident	74.7	Confident	45 Å²	45	72.2 Å²	72.2	23%	0.231	39%	0.39	C	S	.	.	G	3₁₀ helix	trans	-56.4	-27.5	-176.1	-63.2	171.1	0	0	0	112	V676 T680 L681 R686 V689	V676-I678 PolarHBondContact O-N 2.61Å; I678-T680 PolarHBondContact O-N 3.1Å; I678-L681 WeakPolarHBondContact O-CB 3.37Å; I678-L681 PolarHBondContact O-N 3.33Å; I678-R686 HydrophobicContact CG2-CG 3.78Å; I678-V689 HydrophobicContact CG1-CG1 4.41Å
679	E	80.5	Confident	76.3	Confident	110 Å²	110	70.1 Å²	70.1	51%	0.514	38%	0.379	S	S	.	.	G	3₁₀ helix	trans	-64.6	-24.2	-178.9	-63.4	-171.2	170.2	0	0	114.1	L675 V676 G677 L681 R686	L675-E679 HydrophobicContact CD2-CB 4.02Å; V676-E679 PolarHBondContact O-N 3.1Å; G677-E679 PolarHBondContact O-N 3.36Å; G677-E679 VanDerWaalsContact O-N 3.08Å; E679-L681 PolarHBondContact O-N 3.05Å; E679-R686 PolarHBondContact O-NH2 3.2Å
680	T	82.4	Confident	77.7	Confident	31 Å²	31	63.8 Å²	63.8	19%	0.19	35%	0.353	C	S	.	.	G	3₁₀ helix	trans	-79.1	-3.2	175.1	73.9	0	0	0	0	113.2	L675 G677 I678	L675-T680 HydrophobicContact CB-CG2 3.71Å; L675-T680 VanDerWaalsContact O-CG2 3.3Å; L675-T680 WeakPolarHBondContact O-CG2 3.46Å; G677-T680 PolarHBondContact O-N 2.8Å; G677-T680 VanDerWaalsContact O-N 3.15Å; G677-T680 PolarHBondContact O-OG1 3.07Å; G677-T680 VanDerWaalsContact O-OG1 3.14Å; I678-T680 PolarHBondContact O-N 3.1Å
681	L	87.9	Confident	79.8	Confident	4 Å²	4	60 Å²	60	2%	0.021	34%	0.335	C	S	.	.	S	Bend	trans	-88	133.5	-176.6	-61.8	178.6	0	0	0	111.7	L198 A230 V233 I678 E679 L685 R686 V689	L198-L681 HydrophobicContact CD1-CD2 4.01Å; L198-L681 HydrophobicContact CD2-CD2 3.81Å; A230-L681 HydrophobicContact CB-CD1 4.39Å; A230-L681 HydrophobicContact CB-CD2 4.22Å; V233-L681 HydrophobicContact CB-CD2 4.18Å; V233-L681 HydrophobicContact CG1-CD2 4.19Å; V233-L681 HydrophobicContact CG1-CG 4.3Å; V233-L681 HydrophobicContact CG2-CD2 4.4Å; I678-L681 WeakPolarHBondContact O-CB 3.37Å; I678-L681 PolarHBondContact O-N 3.33Å; E679-L681 PolarHBondContact O-N 3.05Å; L681-L685 HydrophobicContact CB-CB 4.38Å; L681-R686 HydrophobicContact CB-CB 4.31Å; L681-R686 PolarHBondContact O-NE 3.35Å; L681-R686 PolarHBondContact O-NH2 2.81Å; L681-V689 HydrophobicContact CD1-CB 4.25Å; L681-V689 HydrophobicContact CD1-CG1 4.46Å; L681-V689 HydrophobicContact CD1-CG2 3.99Å
682	P	90.4	Very high	81.7	Confident	20 Å²	20	57.3 Å²	57.3	13%	0.13	32%	0.318	C	S	.	.			trans	-49.8	149.7	162.4	-29.3	36.5	0	0	0	112.3	D684 L685 R686	P682-D684 VanDerWaalsContact C-N 3.32Å; P682-D684 WeakPolarHBondContact CB-OD1 3.42Å; P682-D684 PolarHBondContact O-N 3.17Å; P682-L685 HydrophobicContact CG-CD1 4.41Å; P682-L685 PolarHBondContact O-N 2.89Å; P682-R686 PolarHBondContact O-N 2.94Å
683	P	88.7	Confident	83.8	Confident	91 Å²	91	54.9 Å²	54.9	59%	0.591	29%	0.292	S	S	*	.	H	α-helix	trans	-54.8	-42.9	-173	-27.8	35.4	0	0	0	114.1	L685 R686 D687	P683-L685 PolarHBondContact O-N 2.92Å; P683-R686 WeakPolarHBondContact O-CB 3.26Å; P683-R686 PolarHBondContact O-N 3.31Å; P683-R686 VanDerWaalsContact O-N 3.11Å; P683-D687 VanDerWaalsContact O-CG 3.27Å; P683-D687 PolarHBondContact O-N 3.16Å
684	D	89.4	Confident	85.8	Confident	71 Å²	71	53.3 Å²	53.3	38%	0.38	28%	0.284	S	S	.	.	H	α-helix	trans	-65.7	-24	-179.5	63.6	-53	0	0	0	113.7	R226 P682	R226-D684 IonicContact CZ-OD2 2.62Å; R226-D684 VanDerWaalsContact CZ-OD2 3.24Å; R226-D684 IonicContact NH1-OD2 3.57Å; R226-D684 PolarHBondContact NH1-OD2 3.18Å; R226-D684 IonicContact NH2-OD1 2.67Å; R226-D684 PolarHBondContact NH2-OD1 2.91Å; R226-D684 VanDerWaalsContact NH2-OD1 3.13Å; R226-D684 IonicContact NH2-OD2 2.65Å; R226-D684 PolarHBondContact NH2-OD2 2.84Å; P682-D684 VanDerWaalsContact C-N 3.32Å; P682-D684 WeakPolarHBondContact CB-OD1 3.42Å; P682-D684 PolarHBondContact O-N 3.17Å
685	L	93.1	Very high	87.4	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-91.6	-29.2	173.1	-62.2	-176.6	0	0	0	112.5	L198 R226 Y227 A230 L681 P682 P683 V689	L198-L685 HydrophobicContact CB-CD1 4.43Å; L198-L685 HydrophobicContact CD2-CD1 3.64Å; R226-L685 HydrophobicContact CG-CD1 3.78Å; R226-L685 HydrophobicContact CG-CD2 4.12Å; Y227-L685 HydrophobicContact CD1-CD2 3.6Å; Y227-L685 HydrophobicContact CE1-CD2 3.72Å; A230-L685 HydrophobicContact CB-CB 3.86Å; A230-L685 HydrophobicContact CB-CD1 4.19Å; A230-L685 HydrophobicContact CB-CD2 4.22Å; A230-L685 HydrophobicContact CB-CG 4.32Å; L681-L685 HydrophobicContact CB-CB 4.38Å; P682-L685 HydrophobicContact CG-CD1 4.41Å; P682-L685 PolarHBondContact O-N 2.89Å; P683-L685 PolarHBondContact O-N 2.92Å; L685-V689 WeakPolarHBondContact O-CB 3.49Å; L685-V689 VanDerWaalsContact O-CG2 3.25Å; L685-V689 WeakPolarHBondContact O-CG2 3.25Å; L685-V689 PolarHBondContact O-N 2.78Å; L685-V689 VanDerWaalsContact O-N 3.15Å
686	R	92.5	Very high	88.9	Confident	78 Å²	78	53.8 Å²	53.8	29%	0.294	28%	0.277	S	S	.	.	H	α-helix	trans	-63.8	-53.9	175.3	-176.9	176.7	-50.4	-139.1	-3	110.7	I678 E679 L681 P682 P683 F688 V689 E690	I678-R686 HydrophobicContact CG2-CG 3.78Å; E679-R686 PolarHBondContact O-NH2 3.2Å; L681-R686 HydrophobicContact CB-CB 4.31Å; L681-R686 PolarHBondContact O-NE 3.35Å; L681-R686 PolarHBondContact O-NH2 2.81Å; P682-R686 PolarHBondContact O-N 2.94Å; P683-R686 WeakPolarHBondContact O-CB 3.26Å; P683-R686 PolarHBondContact O-N 3.31Å; P683-R686 VanDerWaalsContact O-N 3.11Å; R686-F688 VanDerWaalsContact C-N 3.29Å; R686-F688 PolarHBondContact O-N 3.46Å; R686-V689 PolarHBondContact O-N 2.89Å; R686-V689 VanDerWaalsContact O-N 3.08Å; R686-E690 HydrophobicContact CG-CG 4.45Å; R686-E690 VanDerWaalsContact CG-OE1 3.3Å; R686-E690 WeakPolarHBondContact CG-OE1 3.49Å; R686-E690 PolarHBondContact O-N 3.35Å
687	D	92.5	Very high	90.2	Very high	102 Å²	102	53.2 Å²	53.2	55%	0.545	27%	0.268	S	S	.	.	H	α-helix	trans	-56.5	-45.4	-179.4	-61.4	-11.6	0	0	0	110.7	P683 V689 E690 E691	P683-D687 VanDerWaalsContact O-CG 3.27Å; P683-D687 PolarHBondContact O-N 3.16Å; D687-V689 PolarHBondContact O-N 3.4Å; D687-E690 PolarHBondContact O-N 3.32Å; D687-E691 WeakPolarHBondContact O-CG 3.46Å; D687-E691 PolarHBondContact O-N 2.85Å
688	F	94.1	Very high	91.2	Very high	39 Å²	39	57 Å²	57	17%	0.171	28%	0.276	C	S	.	.	H	α-helix	trans	-59.7	-40.3	176.5	170.7	-110.9	0	0	0	113.9	Y227 L231 R686 D692	Y227-F688 AromaticContact CD1-CD1 3.56Å; Y227-F688 HydrophobicContact CD1-CD1 3.56Å; Y227-F688 AromaticContact CD1-CE1 3.67Å; Y227-F688 HydrophobicContact CD1-CE1 3.67Å; Y227-F688 HydrophobicContact CD1-CG 4.01Å; Y227-F688 HydrophobicContact CD1-CZ 4.22Å; Y227-F688 HydrophobicContact CE1-CD1 4.2Å; Y227-F688 HydrophobicContact CE1-CG 4.21Å; Y227-F688 HydrophobicContact CG-CD1 4.38Å; Y227-F688 HydrophobicContact CG-CE1 4.04Å; Y227-F688 HydrophobicContact CG-CZ 4.36Å; L231-F688 HydrophobicContact CD1-CE1 3.86Å; L231-F688 HydrophobicContact CD1-CZ 4.04Å; L231-F688 HydrophobicContact CD2-CE1 4.08Å; L231-F688 HydrophobicContact CG-CE1 3.78Å; L231-F688 HydrophobicContact CG-CZ 4.39Å; R686-F688 VanDerWaalsContact C-N 3.29Å; R686-F688 PolarHBondContact O-N 3.46Å; F688-D692 PolarHBondContact O-N 3.19Å
689	V	94.4	Very high	91.8	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-77.5	-35.5	179	171	0	0	0	0	111.6	A230 L231 G234 I678 L681 L685 R686 D687 D692 N693	A230-V689 HydrophobicContact CB-CG2 3.7Å; A230-V689 WeakPolarHBondContact O-CG2 2.96Å; L231-V689 HydrophobicContact CD2-CG2 4.22Å; G234-V689 WeakPolarHBondContact O-CG1 3.24Å; I678-V689 HydrophobicContact CG1-CG1 4.41Å; L681-V689 HydrophobicContact CD1-CB 4.25Å; L681-V689 HydrophobicContact CD1-CG1 4.46Å; L681-V689 HydrophobicContact CD1-CG2 3.99Å; L685-V689 WeakPolarHBondContact O-CB 3.49Å; L685-V689 VanDerWaalsContact O-CG2 3.25Å; L685-V689 WeakPolarHBondContact O-CG2 3.25Å; L685-V689 PolarHBondContact O-N 2.78Å; L685-V689 VanDerWaalsContact O-N 3.15Å; R686-V689 PolarHBondContact O-N 2.89Å; R686-V689 VanDerWaalsContact O-N 3.08Å; D687-V689 PolarHBondContact O-N 3.4Å; V689-D692 PolarHBondContact O-N 3.39Å; V689-N693 WeakPolarHBondContact O-CB 3.31Å; V689-N693 VanDerWaalsContact O-CG 3.29Å; V689-N693 PolarHBondContact O-N 2.91Å; V689-N693 PolarHBondContact O-ND2 3.1Å
690	E	93.8	Very high	92.3	Very high	82 Å²	82	53.1 Å²	53.1	38%	0.383	26%	0.257	S	S	.	.	H	α-helix	trans	-65.7	-41.3	173.1	-73.7	-173.6	-153.4	0	0	111.5	R686 D687 D692 N693 Q694	R686-E690 HydrophobicContact CG-CG 4.45Å; R686-E690 VanDerWaalsContact CG-OE1 3.3Å; R686-E690 WeakPolarHBondContact CG-OE1 3.49Å; R686-E690 PolarHBondContact O-N 3.35Å; D687-E690 PolarHBondContact O-N 3.32Å; E690-D692 VanDerWaalsContact C-N 3.31Å; E690-D692 PolarHBondContact O-N 2.9Å; E690-N693 PolarHBondContact O-N 2.64Å; E690-Q694 VanDerWaalsContact O-CG 3.3Å; E690-Q694 WeakPolarHBondContact O-CG 3.33Å; E690-Q694 PolarHBondContact O-N 3.15Å
691	E	94.7	Very high	92.8	Very high	107 Å²	107	58.1 Å²	58.1	50%	0.5	28%	0.279	S	S	.	.	H	α-helix	trans	-57.6	-42.6	169.5	-75.9	-168.4	178.2	0	0	112.3	D687 Q694 R695	D687-E691 WeakPolarHBondContact O-CG 3.46Å; D687-E691 PolarHBondContact O-N 2.85Å; E691-Q694 PolarHBondContact O-N 3.15Å; E691-R695 WeakPolarHBondContact O-CG 3.44Å; E691-R695 PolarHBondContact O-N 3.03Å; E691-R695 IonicContact OE2-CZ 3.4Å; E691-R695 IonicContact OE2-NH1 3.46Å; E691-R695 PolarHBondContact OE2-NH1 3.26Å
692	D	94.8	Very high	93.1	Very high	26 Å²	26	63.8 Å²	63.8	14%	0.139	31%	0.305	C	S	.	.	H	α-helix	trans	-69.4	-36.5	-177.7	-155.1	69.3	0	0	0	113	L231 R237 F688 V689 E690 R695 F696	L231-D692 HydrophobicContact CD2-CB 3.95Å; R237-D692 IonicContact CZ-OD2 3.54Å; R237-D692 IonicContact NE-OD2 2.67Å; R237-D692 PolarHBondContact NE-OD2 3.47Å; R237-D692 IonicContact NH2-OD2 2.74Å; F688-D692 PolarHBondContact O-N 3.19Å; V689-D692 PolarHBondContact O-N 3.39Å; E690-D692 VanDerWaalsContact C-N 3.31Å; E690-D692 PolarHBondContact O-N 2.9Å; D692-R695 VanDerWaalsContact CA-NH2 3.33Å; D692-R695 WeakPolarHBondContact O-CB 3.22Å; D692-R695 PolarHBondContact O-N 2.64Å; D692-R695 IonicContact OD1-CZ 2.6Å; D692-R695 IonicContact OD1-NE 3.79Å; D692-R695 PolarHBondContact OD1-NE 2.68Å; D692-R695 IonicContact OD1-NH2 3.36Å; D692-R695 PolarHBondContact OD1-NH2 3.03Å; D692-F696 PolarHBondContact O-N 3.14Å
693	N	94.7	Very high	93	Very high	4 Å²	4	66.1 Å²	66.1	2%	0.021	31%	0.311	C	S	.	.	H	α-helix	trans	-63.5	-42.7	171	-74.3	-29.8	0	0	0	111.4	G234 T235 K236 V689 E690 F696 E697	G234-N693 PolarHBondContact O-ND2 2.95Å; T235-N693 WeakPolarHBondContact CA-OD1 3.23Å; K236-N693 WeakPolarHBondContact CB-OD1 3.43Å; K236-N693 HydrophobicContact CD-CB 4.04Å; K236-N693 HydrophobicContact CG-CB 4.39Å; K236-N693 WeakPolarHBondContact CG-OD1 3.43Å; K236-N693 PolarHBondContact N-OD1 3.4Å; V689-N693 WeakPolarHBondContact O-CB 3.31Å; V689-N693 VanDerWaalsContact O-CG 3.29Å; V689-N693 PolarHBondContact O-N 2.91Å; V689-N693 PolarHBondContact O-ND2 3.1Å; E690-N693 PolarHBondContact O-N 2.64Å; N693-F696 PolarHBondContact O-N 3.39Å; N693-E697 WeakPolarHBondContact O-CG 3.48Å; N693-E697 PolarHBondContact O-N 3.34Å
694	Q	95.1	Very high	93.1	Very high	99 Å²	99	65 Å²	65	46%	0.463	30%	0.3	S	S	.	.	H	α-helix	trans	-65.7	-34.6	173.8	-71.3	174.5	37.1	0	0	112.9	E690 E691 K698	E690-Q694 VanDerWaalsContact O-CG 3.3Å; E690-Q694 WeakPolarHBondContact O-CG 3.33Å; E690-Q694 PolarHBondContact O-N 3.15Å; E691-Q694 PolarHBondContact O-N 3.15Å; Q694-K698 WeakPolarHBondContact O-CG 3.45Å; Q694-K698 PolarHBondContact O-N 3.04Å
695	R	94.3	Very high	93.2	Very high	99 Å²	99	64.6 Å²	64.6	37%	0.374	31%	0.306	S	S	.	.	H	α-helix	trans	-63.1	-43.7	171.3	-74.2	-176.5	-70.7	-97.1	1.1	110.7	E691 D692 K698 E699	E691-R695 WeakPolarHBondContact O-CG 3.44Å; E691-R695 PolarHBondContact O-N 3.03Å; E691-R695 IonicContact OE2-CZ 3.4Å; E691-R695 IonicContact OE2-NH1 3.46Å; E691-R695 PolarHBondContact OE2-NH1 3.26Å; D692-R695 VanDerWaalsContact CA-NH2 3.33Å; D692-R695 WeakPolarHBondContact O-CB 3.22Å; D692-R695 PolarHBondContact O-N 2.64Å; D692-R695 IonicContact OD1-CZ 2.6Å; D692-R695 IonicContact OD1-NE 3.79Å; D692-R695 PolarHBondContact OD1-NE 2.68Å; D692-R695 IonicContact OD1-NH2 3.36Å; D692-R695 PolarHBondContact OD1-NH2 3.03Å; R695-K698 PolarHBondContact O-N 3.28Å; R695-E699 PolarHBondContact O-N 2.87Å
696	F	94.2	Very high	93	Very high	2 Å²	2	69.9 Å²	69.9	1%	0.009	33%	0.331	C	S	.	.	H	α-helix	trans	-69.9	-32.1	178.6	-170.9	-122.4	0	0	0	113.5	P158 R161 K162 K236 R237 D692 N693 E699 L700	P158-F696 HydrophobicContact CB-CE2 4.09Å; P158-F696 HydrophobicContact CB-CZ 4.47Å; P158-F696 WeakPolarHBondContact O-CZ 3.35Å; R161-F696 HydrophobicContact CB-CE2 4.45Å; R161-F696 HydrophobicContact CB-CZ 4.37Å; K162-F696 HydrophobicContact CB-CE1 4.2Å; K162-F696 HydrophobicContact CB-CZ 4.32Å; K162-F696 HydrophobicContact CG-CE1 4.24Å; K236-F696 HydrophobicContact CB-CD1 4.21Å; R237-F696 HydrophobicContact CG-CB 4.28Å; R237-F696 HydrophobicContact CG-CD1 3.98Å; R237-F696 HydrophobicContact CG-CD2 3.84Å; R237-F696 HydrophobicContact CG-CE1 4.27Å; R237-F696 HydrophobicContact CG-CE2 4.15Å; R237-F696 HydrophobicContact CG-CG 3.76Å; R237-F696 HydrophobicContact CG-CZ 4.35Å; D692-F696 PolarHBondContact O-N 3.14Å; N693-F696 PolarHBondContact O-N 3.39Å; F696-E699 HydrophobicContact CD2-CB 4.43Å; F696-E699 WeakPolarHBondContact O-CB 3.31Å; F696-E699 PolarHBondContact O-N 2.95Å; F696-L700 HydrophobicContact CD1-CD1 4.36Å; F696-L700 HydrophobicContact CE1-CD1 4.19Å; F696-L700 PolarHBondContact O-N 3.36Å
697	E	93.3	Very high	92.7	Very high	78 Å²	78	70.3 Å²	70.3	36%	0.364	34%	0.339	S	S	.	.	H	α-helix	trans	-67.6	-37.2	173.8	-75.4	172.3	156.3	0	0	111.6	K236 N693 L700 E701	K236-E697 VanDerWaalsContact NZ-CD 3.32Å; K236-E697 IonicContact NZ-OE1 3.29Å; K236-E697 PolarHBondContact NZ-OE1 3.36Å; K236-E697 IonicContact NZ-OE2 2.72Å; K236-E697 PolarHBondContact NZ-OE2 3.36Å; N693-E697 WeakPolarHBondContact O-CG 3.48Å; N693-E697 PolarHBondContact O-N 3.34Å; E697-L700 WeakPolarHBondContact O-CB 3.31Å; E697-L700 PolarHBondContact O-N 2.74Å; E697-E701 WeakPolarHBondContact O-CG 3.39Å; E697-E701 PolarHBondContact O-N 2.82Å
698	K	94.2	Very high	92.5	Very high	110 Å²	110	68.6 Å²	68.6	48%	0.478	34%	0.338	S	S	.	.	H	α-helix	trans	-65.9	-37.9	170.3	-68.7	167.5	-172.5	170.3	0	112.8	Q694 R695 L700 E701 E702	Q694-K698 WeakPolarHBondContact O-CG 3.45Å; Q694-K698 PolarHBondContact O-N 3.04Å; R695-K698 PolarHBondContact O-N 3.28Å; K698-L700 PolarHBondContact O-N 2.81Å; K698-E701 PolarHBondContact O-N 2.82Å; K698-E702 WeakPolarHBondContact O-CB 3.22Å; K698-E702 WeakPolarHBondContact O-CG 3.32Å; K698-E702 PolarHBondContact O-N 2.81Å
699	E	93.1	Very high	92.1	Very high	58 Å²	58	72.9 Å²	72.9	27%	0.271	36%	0.359	S	S	.	.	H	α-helix	trans	-57.2	-35.4	172.1	-73.4	177.6	-126	0	0	112	P158 R161 R237 R695 F696 W703	P158-E699 HydrophobicContact CG-CB 4.48Å; P158-E699 WeakPolarHBondContact CG-O 3.35Å; R161-E699 IonicContact CZ-OE2 3.5Å; R161-E699 IonicContact NH1-OE2 3.92Å; R161-E699 PolarHBondContact NH1-OE2 2.82Å; R161-E699 IonicContact NH2-OE2 3.13Å; R237-E699 IonicContact CZ-OE1 3.27Å; R237-E699 VanDerWaalsContact CZ-OE1 3.27Å; R237-E699 IonicContact NH1-OE1 2.77Å; R237-E699 PolarHBondContact NH1-OE1 3.42Å; R237-E699 IonicContact NH1-OE2 3.55Å; R237-E699 IonicContact NH2-OE1 3.91Å; R237-E699 PolarHBondContact NH2-OE1 3.4Å; R695-E699 PolarHBondContact O-N 2.87Å; F696-E699 HydrophobicContact CD2-CB 4.43Å; F696-E699 WeakPolarHBondContact O-CB 3.31Å; F696-E699 PolarHBondContact O-N 2.95Å; E699-W703 WeakPolarHBondContact O-CB 3.19Å; E699-W703 PolarHBondContact O-N 2.82Å
700	L	91.9	Very high	91.8	Very high	15 Å²	15	78.8 Å²	78.8	8%	0.079	39%	0.385	C	S	.	.	H	α-helix	trans	-73	-47.2	175.9	-70.6	158.7	0	0	0	111.9	P158 Y159 F696 E697 K698 E702 W703 D704	P158-L700 HydrophobicContact CB-CD2 3.74Å; P158-L700 HydrophobicContact CB-CG 4.1Å; P158-L700 HydrophobicContact CG-CD2 4.43Å; Y159-L700 HydrophobicContact CD1-CD2 3.84Å; Y159-L700 HydrophobicContact CD2-CD2 3.54Å; Y159-L700 HydrophobicContact CE1-CD2 3.85Å; Y159-L700 HydrophobicContact CE2-CD2 3.54Å; Y159-L700 HydrophobicContact CG-CD2 3.69Å; F696-L700 HydrophobicContact CD1-CD1 4.36Å; F696-L700 HydrophobicContact CE1-CD1 4.19Å; F696-L700 PolarHBondContact O-N 3.36Å; E697-L700 WeakPolarHBondContact O-CB 3.31Å; E697-L700 PolarHBondContact O-N 2.74Å; K698-L700 PolarHBondContact O-N 2.81Å; L700-E702 PolarHBondContact O-N 2.97Å; L700-W703 PolarHBondContact O-N 3.41Å; L700-D704 PolarHBondContact O-N 2.86Å
701	E	92.7	Very high	91.3	Very high	136 Å²	136	77 Å²	77	64%	0.636	38%	0.384	S	S	*	.	H	α-helix	trans	-60.1	-43.7	177.6	-70.1	177.1	167.8	0	0	112.4	E697 K698 W703 D704 A705	E697-E701 WeakPolarHBondContact O-CG 3.39Å; E697-E701 PolarHBondContact O-N 2.82Å; K698-E701 PolarHBondContact O-N 2.82Å; E701-W703 VanDerWaalsContact C-N 3.3Å; E701-W703 PolarHBondContact O-N 3.29Å; E701-D704 PolarHBondContact O-N 3.45Å; E701-A705 WeakPolarHBondContact O-CB 3.28Å; E701-A705 PolarHBondContact O-N 3.07Å
702	E	92.4	Very high	90.8	Very high	123 Å²	123	77 Å²	77	58%	0.575	39%	0.387	S	S	*	.	H	α-helix	trans	-65	-33.3	177	-74	179.5	-167.1	0	0	112.4	K698 L700 Q706	K698-E702 WeakPolarHBondContact O-CB 3.22Å; K698-E702 WeakPolarHBondContact O-CG 3.32Å; K698-E702 PolarHBondContact O-N 2.81Å; L700-E702 PolarHBondContact O-N 2.97Å; E702-Q706 VanDerWaalsContact O-CG 3.24Å; E702-Q706 WeakPolarHBondContact O-CG 3.5Å; E702-Q706 PolarHBondContact O-N 3.06Å; E702-Q706 VanDerWaalsContact O-N 3.1Å; E702-Q706 PolarHBondContact O-NE2 3.27Å; E702-Q706 VanDerWaalsContact O-NE2 3.09Å
703	W	90.1	Very high	90.1	Very high	69 Å²	69	81.3 Å²	81.3	26%	0.261	41%	0.406	S	S	.	.	H	α-helix	trans	-72	-44	177.4	179.1	-100.8	0	0	0	112.2	R156 N157 P158 E699 L700 E701 A705 Q706 L707	R156-W703 HydrophobicContact CB-CH2 3.97Å; R156-W703 HydrophobicContact CB-CZ3 4.08Å; N157-W703 HydrophobicContact CB-CZ2 3.81Å; N157-W703 PolarHBondContact OD1-NE1 3.01Å; P158-W703 HydrophobicContact CG-CB 3.83Å; P158-W703 HydrophobicContact CG-CD2 4.42Å; P158-W703 HydrophobicContact CG-CG 3.99Å; E699-W703 WeakPolarHBondContact O-CB 3.19Å; E699-W703 PolarHBondContact O-N 2.82Å; L700-W703 PolarHBondContact O-N 3.41Å; E701-W703 VanDerWaalsContact C-N 3.3Å; E701-W703 PolarHBondContact O-N 3.29Å; W703-A705 VanDerWaalsContact C-N 3.33Å; W703-A705 PolarHBondContact O-N 3.41Å; W703-Q706 PolarHBondContact O-N 2.86Å; W703-L707 PolarHBondContact O-N 2.73Å
704	D	90.4	Very high	89.4	Confident	68 Å²	68	85.9 Å²	85.9	36%	0.364	43%	0.427	S	S	.	.	H	α-helix	trans	-65.5	-37.2	175.8	-75.8	-16.8	0	0	0	111.7	Y159 L700 E701 L707 A708	Y159-D704 WeakPolarHBondContact CE2-OD1 3.4Å; Y159-D704 PolarHBondContact OH-OD2 2.92Å; L700-D704 PolarHBondContact O-N 2.86Å; E701-D704 PolarHBondContact O-N 3.45Å; D704-L707 PolarHBondContact O-N 3.13Å; D704-A708 WeakPolarHBondContact O-CB 3.24Å; D704-A708 PolarHBondContact O-N 2.94Å
705	A	90.4	Very high	88.7	Confident	61 Å²	61	88.2 Å²	88.2	50%	0.504	44%	0.436	S	S	.	.	H	α-helix	trans	-61.7	-42.7	172.4	0	0	0	0	0	112.3	E701 W703 A708 Q709	E701-A705 WeakPolarHBondContact O-CB 3.28Å; E701-A705 PolarHBondContact O-N 3.07Å; W703-A705 VanDerWaalsContact C-N 3.33Å; W703-A705 PolarHBondContact O-N 3.41Å; A705-A708 PolarHBondContact O-N 3.3Å; A705-Q709 WeakPolarHBondContact O-CB 3.22Å; A705-Q709 PolarHBondContact O-N 2.66Å
706	Q	90.1	Very high	87.9	Confident	111 Å²	111	88.4 Å²	88.4	52%	0.519	44%	0.444	S	S	.	.	H	α-helix	trans	-65.3	-41.3	175.8	-75.2	169	58.8	0	0	112.3	E702 W703 Q709 K710	E702-Q706 VanDerWaalsContact O-CG 3.24Å; E702-Q706 WeakPolarHBondContact O-CG 3.5Å; E702-Q706 PolarHBondContact O-N 3.06Å; E702-Q706 VanDerWaalsContact O-N 3.1Å; E702-Q706 PolarHBondContact O-NE2 3.27Å; E702-Q706 VanDerWaalsContact O-NE2 3.09Å; W703-Q706 PolarHBondContact O-N 2.86Å; Q706-Q709 PolarHBondContact O-N 3.28Å; Q706-K710 WeakPolarHBondContact O-CB 3.2Å; Q706-K710 PolarHBondContact O-N 2.92Å
707	L	86.3	Confident	87	Confident	88 Å²	88	92.8 Å²	92.8	46%	0.461	47%	0.467	S	S	.	.	H	α-helix	trans	-60.6	-46.9	173.9	-86	165.3	0	0	0	111.7	W703 D704 Q709 K710 A711	W703-L707 PolarHBondContact O-N 2.73Å; D704-L707 PolarHBondContact O-N 3.13Å; L707-Q709 PolarHBondContact O-N 3.46Å; L707-K710 PolarHBondContact O-N 3.13Å; L707-A711 WeakPolarHBondContact O-CB 3.4Å; L707-A711 PolarHBondContact O-N 3.22Å
708	A	86.6	Confident	85.9	Confident	65 Å²	65	92 Å²	92	54%	0.537	47%	0.474	S	S	.	.	H	α-helix	trans	-62.2	-42.5	177	0	0	0	0	0	112.2	D704 A705 A711 L712	D704-A708 WeakPolarHBondContact O-CB 3.24Å; D704-A708 PolarHBondContact O-N 2.94Å; A705-A708 PolarHBondContact O-N 3.3Å; A708-A711 PolarHBondContact O-N 3.45Å; A708-L712 PolarHBondContact O-N 3.34Å
709	Q	87.4	Confident	84.8	Confident	129 Å²	129	90.3 Å²	90.3	60%	0.603	48%	0.476	S	S	*	.	H	α-helix	trans	-63.7	-44	176.5	-173.8	177.5	5.1	0	0	111.8	A705 Q706 L707 L712 Q713	A705-Q709 WeakPolarHBondContact O-CB 3.22Å; A705-Q709 PolarHBondContact O-N 2.66Å; Q706-Q709 PolarHBondContact O-N 3.28Å; L707-Q709 PolarHBondContact O-N 3.46Å; Q709-L712 PolarHBondContact O-N 3.27Å; Q709-Q713 PolarHBondContact O-N 3.17Å
710	K	87.3	Confident	83.4	Confident	124 Å²	124	93.1 Å²	93.1	54%	0.539	49%	0.489	S	S	.	.	H	α-helix	trans	-61.5	-46.1	176.5	-173	174.6	-175.7	-82	0	111.6	Q706 L707 L712 Q713 E714	Q706-K710 WeakPolarHBondContact O-CB 3.2Å; Q706-K710 PolarHBondContact O-N 2.92Å; L707-K710 PolarHBondContact O-N 3.13Å; K710-L712 VanDerWaalsContact C-N 3.29Å; K710-L712 PolarHBondContact O-N 3.01Å; K710-Q713 PolarHBondContact O-N 3.46Å; K710-Q713 VanDerWaalsContact O-N 3.15Å; K710-E714 WeakPolarHBondContact CE-OE1 3.44Å; K710-E714 IonicContact NZ-OE1 3.7Å; K710-E714 PolarHBondContact NZ-OE1 3.48Å; K710-E714 WeakPolarHBondContact O-CG 3.22Å; K710-E714 PolarHBondContact O-N 2.89Å
711	A	84	Confident	82	Confident	44 Å²	44	100.1 Å²	100.1	36%	0.364	52%	0.518	S	S	.	.	H	α-helix	trans	-63.6	-32.4	177.6	0	0	0	0	0	113	L707 A708 K715	L707-A711 WeakPolarHBondContact O-CB 3.4Å; L707-A711 PolarHBondContact O-N 3.22Å; A708-A711 PolarHBondContact O-N 3.45Å; A711-K715 WeakPolarHBondContact O-CG 3.42Å; A711-K715 PolarHBondContact O-N 3.48Å
712	L	82.8	Confident	80.2	Confident	108 Å²	108	99.6 Å²	99.6	57%	0.565	52%	0.52	S	S	*	.	H	α-helix	trans	-69.9	-42.6	172.1	-177.9	62.6	0	0	0	111.7	A708 Q709 K710 K715 L716	A708-L712 PolarHBondContact O-N 3.34Å; Q709-L712 PolarHBondContact O-N 3.27Å; K710-L712 VanDerWaalsContact C-N 3.29Å; K710-L712 PolarHBondContact O-N 3.01Å; L712-K715 PolarHBondContact O-N 2.88Å; L712-L716 HydrophobicContact CG-CD1 4.41Å; L712-L716 WeakPolarHBondContact O-CG 3.29Å; L712-L716 PolarHBondContact O-N 3.14Å
713	Q	80.3	Confident	78.2	Confident	116 Å²	116	102.9 Å²	102.9	54%	0.542	53%	0.527	S	S	.	.	H	α-helix	trans	-67.4	-38.1	178.9	-170	165.8	-4	0	0	112.4	Q709 K710 L716 L717	Q709-Q713 PolarHBondContact O-N 3.17Å; K710-Q713 PolarHBondContact O-N 3.46Å; K710-Q713 VanDerWaalsContact O-N 3.15Å; Q713-L716 PolarHBondContact O-N 2.84Å; Q713-L717 HydrophobicContact CG-CD1 4.38Å; Q713-L717 WeakPolarHBondContact O-CG 3.45Å; Q713-L717 PolarHBondContact O-N 3.1Å
714	E	81.4	Confident	76.2	Confident	100 Å²	100	106 Å²	106	47%	0.467	54%	0.544	S	S	.	.	H	α-helix	trans	-64.3	-39.7	172.9	-73.6	172	-179.8	0	0	111.9	K710 L716 L717 A718	K710-E714 WeakPolarHBondContact CE-OE1 3.44Å; K710-E714 IonicContact NZ-OE1 3.7Å; K710-E714 PolarHBondContact NZ-OE1 3.48Å; K710-E714 WeakPolarHBondContact O-CG 3.22Å; K710-E714 PolarHBondContact O-N 2.89Å; E714-L716 VanDerWaalsContact C-N 3.35Å; E714-L716 PolarHBondContact O-N 2.98Å; E714-L717 PolarHBondContact O-N 2.92Å; E714-A718 WeakPolarHBondContact O-CB 3.42Å; E714-A718 PolarHBondContact O-N 2.96Å
715	K	78.8	Confident	74.1	Confident	149 Å²	149	106.5 Å²	106.5	65%	0.648	55%	0.553	S	S	*	*	H	α-helix	trans	-62.8	-38.2	172.1	-76.5	172.5	-179.4	174.9	0	112.8	A711 L712 S719	A711-K715 WeakPolarHBondContact O-CG 3.42Å; A711-K715 PolarHBondContact O-N 3.48Å; L712-K715 PolarHBondContact O-N 2.88Å; K715-S719 WeakPolarHBondContact O-CB 3.22Å; K715-S719 PolarHBondContact O-N 3.31Å; K715-S719 PolarHBondContact O-OG 3.18Å
716	L	78.7	Confident	71.9	Confident	102 Å²	102	110.6 Å²	110.6	53%	0.534	56%	0.562	S	S	.	*	H	α-helix	trans	-67.2	-44.4	176.1	-72.8	166.3	0	0	0	111.7	L712 Q713 E714 S719 Q720	L712-L716 HydrophobicContact CG-CD1 4.41Å; L712-L716 WeakPolarHBondContact O-CG 3.29Å; L712-L716 PolarHBondContact O-N 3.14Å; Q713-L716 PolarHBondContact O-N 2.84Å; E714-L716 VanDerWaalsContact C-N 3.35Å; E714-L716 PolarHBondContact O-N 2.98Å; L716-S719 WeakPolarHBondContact O-CB 3.15Å; L716-S719 PolarHBondContact O-N 3.26Å; L716-Q720 PolarHBondContact O-N 2.79Å
717	L	75.4	Confident	69.5	Low	95 Å²	95	110.8 Å²	110.8	50%	0.497	57%	0.571	S	S	.	*	H	α-helix	trans	-64.6	-40.3	176.4	-70.6	167.4	0	0	0	112.3	Q713 E714 S719 Q720 K721	Q713-L717 HydrophobicContact CG-CD1 4.38Å; Q713-L717 WeakPolarHBondContact O-CG 3.45Å; Q713-L717 PolarHBondContact O-N 3.1Å; E714-L717 PolarHBondContact O-N 2.92Å; L717-S719 VanDerWaalsContact C-N 3.3Å; L717-S719 PolarHBondContact O-N 3.38Å; L717-Q720 PolarHBondContact O-N 2.72Å; L717-K721 PolarHBondContact O-N 3.38Å
718	A	70.7	Confident	67.3	Low	61 Å²	61	110.7 Å²	110.7	50%	0.504	58%	0.578	S	S	.	*	H	α-helix	trans	-61.8	-38.8	172.6	0	0	0	0	0	112	E714 Q720 K721 L722	E714-A718 WeakPolarHBondContact O-CB 3.42Å; E714-A718 PolarHBondContact O-N 2.96Å; A718-Q720 VanDerWaalsContact C-N 3.35Å; A718-K721 PolarHBondContact O-N 3.12Å; A718-L722 PolarHBondContact O-N 3.43Å; A718-L722 VanDerWaalsContact O-N 3.15Å
719	S	69.8	Low	65	Low	74 Å²	74	113.3 Å²	113.3	52%	0.517	59%	0.586	S	S	.	*	H	α-helix	trans	-68.2	-31.3	175.9	-56.5	0	0	0	0	112.8	K715 L716 L717 R723	K715-S719 WeakPolarHBondContact O-CB 3.22Å; K715-S719 PolarHBondContact O-N 3.31Å; K715-S719 PolarHBondContact O-OG 3.18Å; L716-S719 WeakPolarHBondContact O-CB 3.15Å; L716-S719 PolarHBondContact O-N 3.26Å; L717-S719 VanDerWaalsContact C-N 3.3Å; L717-S719 PolarHBondContact O-N 3.38Å; S719-R723 PolarHBondContact O-N 2.98Å
720	Q	64.9	Low	62.6	Low	117 Å²	117	113.2 Å²	113.2	55%	0.547	60%	0.595	S	S	.	*	H	α-helix	trans	-70.7	-46.9	172.8	-73.2	-179	-67.9	0	0	111.9	L716 L717 A718 L722 R723 E724	L716-Q720 PolarHBondContact O-N 2.79Å; L717-Q720 PolarHBondContact O-N 2.72Å; A718-Q720 VanDerWaalsContact C-N 3.35Å; Q720-L722 VanDerWaalsContact C-N 3.26Å; Q720-L722 PolarHBondContact O-N 3.11Å; Q720-R723 WeakPolarHBondContact O-CA 3.39Å; Q720-R723 WeakPolarHBondContact O-CB 3.45Å; Q720-R723 PolarHBondContact O-N 2.89Å; Q720-E724 PolarHBondContact O-N 3.29Å
721	K	60.8	Low	60	Low	162 Å²	162	114 Å²	114	70%	0.704	61%	0.611	S	S	*	*	H	α-helix	trans	-56.2	-39.1	176	-92.4	-171.4	170.4	-175.3	0	113.2	L717 A718 R723 S725	L717-K721 PolarHBondContact O-N 3.38Å; A718-K721 PolarHBondContact O-N 3.12Å; K721-R723 VanDerWaalsContact C-N 3.28Å; K721-R723 PolarHBondContact O-N 3.43Å; K721-S725 PolarHBondContact O-N 2.73Å
722	L	54.8	Low	57.5	Low	126 Å²	126	117 Å²	117	66%	0.66	64%	0.635	S	S	*	*	H	α-helix	trans	-62.6	-38	176.1	-164.5	71.4	0	0	0	111.6	A718 Q720 S725	A718-L722 PolarHBondContact O-N 3.43Å; A718-L722 VanDerWaalsContact O-N 3.15Å; Q720-L722 VanDerWaalsContact C-N 3.26Å; Q720-L722 PolarHBondContact O-N 3.11Å; L722-S725 PolarHBondContact O-N 3.47Å
723	R	51.3	Low	55	Low	192 Å²	192	121.2 Å²	121.2	73%	0.725	65%	0.651	S	S	*	*	H	α-helix	trans	-73.9	-37	-177.6	-135.7	176.4	-169	-179.3	3	113.4	S719 Q720 K721 S725 E726	S719-R723 PolarHBondContact O-N 2.98Å; Q720-R723 WeakPolarHBondContact O-CA 3.39Å; Q720-R723 WeakPolarHBondContact O-CB 3.45Å; Q720-R723 PolarHBondContact O-N 2.89Å; K721-R723 VanDerWaalsContact C-N 3.28Å; K721-R723 PolarHBondContact O-N 3.43Å; R723-S725 PolarHBondContact O-N 2.94Å; R723-E726 PolarHBondContact O-N 3.26Å
724	E	48.8	Very low	52.6	Low	133 Å²	133	120.5 Å²	120.5	62%	0.621	67%	0.666	S	S	*	*	H	α-helix	trans	-65	-31.3	174.9	-68.8	175.1	156.6	0	0	111.5	Q720 E726 T727	Q720-E724 PolarHBondContact O-N 3.29Å; E724-E726 VanDerWaalsContact C-N 3.32Å; E724-E726 PolarHBondContact O-N 3.44Å; E724-T727 PolarHBondContact O-N 2.92Å; E724-T727 PolarHBondContact O-OG1 2.95Å
725	S	46	Very low	50.1	Low	80 Å²	80	120.7 Å²	120.7	56%	0.559	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.2	-17.6	176	-167.6	0	0	0	0	114.6	K721 L722 R723 S728	K721-S725 PolarHBondContact O-N 2.73Å; L722-S725 PolarHBondContact O-N 3.47Å; R723-S725 PolarHBondContact O-N 2.94Å; S725-S728 PolarHBondContact O-OG 3.34Å
726	E	43.1	Very low	47.7	Very low	147 Å²	147	117.4 Å²	117.4	69%	0.687	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.4	-24.6	175.9	-67.3	-176.7	140.8	0	0	112	R723 E724 S728	R723-E726 PolarHBondContact O-N 3.26Å; E724-E726 VanDerWaalsContact C-N 3.32Å; E724-E726 PolarHBondContact O-N 3.44Å; E726-S728 VanDerWaalsContact C-N 3.32Å; E726-S728 PolarHBondContact O-N 3.3Å
727	T	39.9	Very low	45.2	Very low	114 Å²	114	120.2 Å²	120.2	70%	0.699	71%	0.708	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.6	-2.6	-177	38.1	0	0	0	0	116.1	E724	E724-T727 PolarHBondContact O-N 2.92Å; E724-T727 PolarHBondContact O-OG1 2.95Å
728	S	40.6	Very low	43.8	Very low	87 Å²	87	120.4 Å²	120.4	61%	0.608	72%	0.715	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.8	-3.9	-172.7	56.1	0	0	0	0	115.8	S725 E726	S725-S728 PolarHBondContact O-OG 3.34Å; E726-S728 VanDerWaalsContact C-N 3.32Å; E726-S728 PolarHBondContact O-N 3.3Å
729	V	38.7	Very low	41.8	Very low	119 Å²	119	125.2 Å²	125.2	72%	0.721	73%	0.728	S	S	*	*			trans	-117.5	55.3	-167.2	-161.8	0	0	0	0	113.4
730	T	35.7	Very low	39.8	Very low	127 Å²	127	130.5 Å²	130.5	78%	0.779	74%	0.737	S	S	*	*			trans	-137.2	30.3	176.4	51.1	0	0	0	0	116.1
731	T	33.2	Very low	38.2	Very low	142 Å²	142	130.5 Å²	130.5	87%	0.871	74%	0.741	S	S	*	*			trans	-146	88.9	167.6	49.2	0	0	0	0	114.5
732	A	31.6	Very low	36.6	Very low	105 Å²	105	129.4 Å²	129.4	87%	0.868	74%	0.738	S	S	*	*			trans	-163.2	160.1	155.8	0	0	0	0	0	109.2
733	Q	31.4	Very low	35.3	Very low	197 Å²	197	131.1 Å²	131.1	92%	0.921	74%	0.742	S	S	*	*			trans	-129.3	159.3	-166	-65.1	175.6	-71.2	0	0	114.7
734	A	28.7	Very low	34.4	Very low	102 Å²	102	127.5 Å²	127.5	84%	0.843	74%	0.744	S	S	*	*			trans	-18.5	147.7	166.9	0	0	0	0	0	117.9
735	A	29.9	Very low	33.4	Very low	103 Å²	103	126.9 Å²	126.9	85%	0.851	75%	0.754	S	S	*	*				-178	164.5	60.7	0	0	0	0	0	113.5
736	G	28	Very low	32.5	Very low	81 Å²	81	134.7 Å²	134.7	84%	0.835	77%	0.771	S	S	*	*			trans	97.2	94.8	147.7	0	0	0	0	0	119.6
737	D	26.3	Very low	32	Very low	160 Å²	160	132.5 Å²	132.5	86%	0.856	77%	0.773	S	S	*	*			trans	-68.9	171.8	155.5	-91.6	-49.5	0	0	0	111.7
738	P	45.9	Very low	31.7	Very low	99 Å²	99	133.5 Å²	133.5	64%	0.643	77%	0.774	S	S	*	*			cis	-150.8	173.7	30.8	45.2	-25.1	0	0	0	120.6
739	E	27.7	Very low	31.2	Very low	163 Å²	163	139.1 Å²	139.1	76%	0.762	79%	0.787	S	S	*	*			trans	66.9	146.8	149	-74.4	179.1	140.7	0	0	119.8
740	Y	28.5	Very low	30.9	Very low	185 Å²	185	139 Å²	139	73%	0.725	79%	0.792	S	S	*	*			cis	-155.5	142.6	21.4	-144.6	-139.5	0	0	0	112.2
741	L	30.4	Very low	30.8	Very low	117 Å²	117	141.3 Å²	141.3	61%	0.613	79%	0.791	S	S	*	*			trans	41.2	146.6	151.8	-81.4	125.5	0	0	0	122.5
742	E	27	Very low	30.8	Very low	139 Å²	139	141.1 Å²	141.1	65%	0.65	78%	0.78	S	S	*	*			cis	-161.2	127.6	3.2	-171.6	161.2	-141.2	0	0	113.6
743	Q	29.2	Very low	30.8	Very low	161 Å²	161	143.1 Å²	143.1	75%	0.752	78%	0.776	S	S	*	*			trans	44.1	170.5	149.3	-59.2	-175.8	51.2	0	0	122.9
744	P	32.4	Very low	31	Very low	116 Å²	116	141.7 Å²	141.7	75%	0.753	77%	0.766	S	S	*	*				-126.7	161	-58.4	37.6	-23.7	0	0	0	112.8
745	S	26.2	Very low	31.3	Very low	120 Å²	120	143.1 Å²	143.1	84%	0.839	76%	0.756	S	S	*	*			trans	-84.8	160	179.1	56.2	0	0	0	0	113.7
746	R	27.9	Very low	31.5	Very low	244 Å²	244	142.5 Å²	142.5	92%	0.921	74%	0.735	S	S	*	*			trans	-129	103.3	167.9	-155.8	175.3	-169.9	172.9	4.7	110.8
747	S	32.4	Very low	31.8	Very low	102 Å²	102	142.5 Å²	142.5	71%	0.713	72%	0.719	S	S	*	*			trans	-81.6	122.5	170.5	56.1	0	0	0	0	110.3
748	D	33.4	Very low	32.4	Very low	135 Å²	135	140.3 Å²	140.3	72%	0.722	71%	0.706	S	S	*	*			trans	-171.1	120.1	153.3	-95.3	-36.5	0	0	0	109.5
749	F	29.7	Very low	31.8	Very low	204 Å²	204	144.2 Å²	144.2	90%	0.895	71%	0.708	S	S	*	*	S	Bend	trans	-178.1	-37.9	156	-106.4	-63.3	0	0	0	112	K751	F749-K751 VanDerWaalsContact C-N 3.3Å; F749-K751 PolarHBondContact O-N 2.85Å
750	S	33.1	Very low	32.3	Very low	117 Å²	117	142.2 Å²	142.2	82%	0.818	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.2	-5.1	-170.8	-161.8	0	0	0	0	115.8
751	K	32.8	Very low	32.7	Very low	175 Å²	175	139 Å²	139	76%	0.761	70%	0.695	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.5	-28.7	-178.7	-72.5	-171.3	176.3	-178.6	0	115.1	F749 L753	F749-K751 VanDerWaalsContact C-N 3.3Å; F749-K751 PolarHBondContact O-N 2.85Å; K751-L753 PolarHBondContact O-N 3.45Å
752	H	33.3	Very low	32.9	Very low	138 Å²	138	138.1 Å²	138.1	64%	0.639	70%	0.695	S	S	*	*	H	α-helix	trans	-66.9	-36.6	-170.7	-143.8	-69.5	0	0	0	113.1	K754 E756	H752-K754 PolarHBondContact O-N 3.13Å; H752-K754 VanDerWaalsContact O-N 3.13Å; H752-E756 IonicContact CE1-OE2 2.73Å; H752-E756 PolarHBondContact CE1-OE2 2.99Å; H752-E756 IonicContact ND1-OE2 3.86Å; H752-E756 PolarHBondContact ND1-OE2 3.18Å
753	L	32.8	Very low	33.2	Very low	148 Å²	148	140.6 Å²	140.6	78%	0.775	70%	0.703	S	S	*	*	H	α-helix	trans	-74.7	-2.6	-170.3	-146	76.2	0	0	0	115.3	K751	K751-L753 PolarHBondContact O-N 3.45Å
754	K	35.8	Very low	33.3	Very low	166 Å²	166	137 Å²	137	72%	0.722	70%	0.702	S	S	*	*	H	α-helix	trans	-110.3	-18.1	179.2	-71.6	-174.7	177.9	178.2	0	114.4	H752 I758	H752-K754 PolarHBondContact O-N 3.13Å; H752-K754 VanDerWaalsContact O-N 3.13Å; K754-I758 WeakPolarHBondContact O-CD1 3.33Å
755	E	33.8	Very low	33.2	Very low	133 Å²	133	136 Å²	136	62%	0.621	70%	0.697	S	S	*	*	H	α-helix	trans	-92.5	-27.5	176.4	-63	-170.1	151.1	0	0	112.4	R759	E755-R759 WeakPolarHBondContact O-CG 3.43Å; E755-R759 PolarHBondContact O-N 3.23Å
756	E	34.1	Very low	33.5	Very low	89 Å²	89	138.7 Å²	138.7	42%	0.416	70%	0.696	S	S	.	*	H	α-helix	trans	-60.2	-53.6	176.6	-148	79.1	-113.8	0	0	112	H752 I758 R759 I760	H752-E756 IonicContact CE1-OE2 2.73Å; H752-E756 PolarHBondContact CE1-OE2 2.99Å; H752-E756 IonicContact ND1-OE2 3.86Å; H752-E756 PolarHBondContact ND1-OE2 3.18Å; E756-I758 VanDerWaalsContact C-N 3.28Å; E756-I758 PolarHBondContact O-N 3.1Å; E756-R759 PolarHBondContact O-N 3.08Å; E756-R759 VanDerWaalsContact O-N 3.12Å; E756-I760 PolarHBondContact O-N 2.96Å; E756-I760 VanDerWaalsContact O-N 3.16Å
757	T	34.8	Very low	33.6	Very low	82 Å²	82	135.9 Å²	135.9	50%	0.503	69%	0.693	S	S	.	*	H	α-helix	trans	-60.9	-35.6	-174.9	-43.7	0	0	0	0	112.5	I761	T757-I761 WeakPolarHBondContact O-CG1 3.34Å; T757-I761 PolarHBondContact O-N 3.09Å
758	I	38	Very low	33.4	Very low	113 Å²	113	139.9 Å²	139.9	58%	0.579	70%	0.701	S	S	*	*	H	α-helix	trans	-71.6	-40.3	179.1	-61.8	177	0	0	0	110.3	K754 E756 I760 I761 T762	K754-I758 WeakPolarHBondContact O-CD1 3.33Å; E756-I758 VanDerWaalsContact C-N 3.28Å; E756-I758 PolarHBondContact O-N 3.1Å; I758-I760 PolarHBondContact O-N 3Å; I758-I761 PolarHBondContact O-N 3.02Å; I758-T762 PolarHBondContact O-N 3.36Å; I758-T762 PolarHBondContact O-OG1 2.7Å; I758-T762 VanDerWaalsContact O-OG1 3.08Å
759	R	35.4	Very low	33.1	Very low	182 Å²	182	143 Å²	143	69%	0.687	71%	0.71	S	S	*	*	H	α-helix	trans	-66.2	-33.7	178.5	-74.9	-179.6	174.9	-175.5	1.9	113.6	E755 E756 K763	E755-R759 WeakPolarHBondContact O-CG 3.43Å; E755-R759 PolarHBondContact O-N 3.23Å; E756-R759 PolarHBondContact O-N 3.08Å; E756-R759 VanDerWaalsContact O-N 3.12Å; R759-K763 PolarHBondContact O-N 2.98Å
760	I	36.7	Very low	32.9	Very low	120 Å²	120	139.5 Å²	139.5	62%	0.615	70%	0.701	S	S	*	*	H	α-helix	trans	-66	-43.7	176.6	-66.4	169.3	0	0	0	110.4	E756 I758 K763	E756-I760 PolarHBondContact O-N 2.96Å; E756-I760 VanDerWaalsContact O-N 3.16Å; I758-I760 PolarHBondContact O-N 3Å; I760-K763 PolarHBondContact O-N 2.86Å
761	I	38.3	Very low	32.6	Very low	118 Å²	118	142.5 Å²	142.5	61%	0.605	70%	0.699	S	S	*	*	H	α-helix	trans	-66.7	-41.3	-178.6	-65.3	168.1	0	0	0	111.6	T757 I758 K763 A764	T757-I761 WeakPolarHBondContact O-CG1 3.34Å; T757-I761 PolarHBondContact O-N 3.09Å; I758-I761 PolarHBondContact O-N 3.02Å; I761-K763 VanDerWaalsContact C-N 3.27Å; I761-K763 PolarHBondContact O-N 2.69Å; I761-A764 PolarHBondContact O-N 2.62Å
762	T	33.8	Very low	32.3	Very low	99 Å²	99	139.5 Å²	139.5	61%	0.607	70%	0.701	S	S	*	*	H	α-helix	trans	-70.2	-20.7	180	-39.8	0	0	0	0	113.5	I758 A764	I758-T762 PolarHBondContact O-N 3.36Å; I758-T762 PolarHBondContact O-OG1 2.7Å; I758-T762 VanDerWaalsContact O-OG1 3.08Å; T762-A764 VanDerWaalsContact C-N 3.35Å
763	K	32.7	Very low	32.7	Very low	190 Å²	190	138.1 Å²	138.1	83%	0.826	70%	0.704	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.1	-9.4	-178.3	-157.9	177.4	177.6	-172.2	0	114	R759 I760 I761	R759-K763 PolarHBondContact O-N 2.98Å; I760-K763 PolarHBondContact O-N 2.86Å; I761-K763 VanDerWaalsContact C-N 3.27Å; I761-K763 PolarHBondContact O-N 2.69Å
764	A	31.8	Very low	32.4	Very low	87 Å²	87	140 Å²	140	72%	0.719	71%	0.709	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.9	-0.6	-178.8	0	0	0	0	0	114.7	I761 T762	I761-A764 PolarHBondContact O-N 2.62Å; T762-A764 VanDerWaalsContact C-N 3.35Å
765	S	30.6	Very low	31.9	Very low	93 Å²	93	138 Å²	138	65%	0.65	71%	0.711	S	S	*	*	S	Bend	trans	-125.9	13.1	-167	-51.7	0	0	0	0	115.5
766	H	32.8	Very low	31.5	Very low	177 Å²	177	137.1 Å²	137.1	82%	0.819	71%	0.714	S	S	*	*			trans	-142.6	75.3	177.3	-93.1	-19.2	0	0	0	112.7
767	E	29.4	Very low	31.2	Very low	186 Å²	186	139.9 Å²	139.9	87%	0.869	73%	0.731	S	S	*	*	S	Bend	trans	-155.1	142.2	151.8	-112.4	159.1	-145.3	0	0	108.7
768	H	27.6	Very low	30.7	Very low	186 Å²	186	143.5 Å²	143.5	86%	0.861	74%	0.742	S	S	*	*			trans	69.5	65.4	176.6	-74.7	-79.6	0	0	0	121
769	E	27.6	Very low	30.1	Very low	199 Å²	199	143.3 Å²	143.3	93%	0.93	75%	0.751	S	S	*	*				-146.9	144.3	126.2	-107.7	177.9	-166	0	0	105.7
770	D	25.1	Very low	29.4	Very low	131 Å²	131	142.4 Å²	142.4	70%	0.701	75%	0.752	S	S	*	*			cis	-157.6	174	16.6	170.6	33.8	0	0	0	109.6
771	K	27.1	Very low	29.3	Very low	180 Å²	180	142.1 Å²	142.1	78%	0.783	76%	0.758	S	S	*	*			trans	102.7	107.6	157.8	-55.7	-178.2	-177.5	163.8	0	121.1
772	S	27.2	Very low	28.6	Very low	113 Å²	113	142.7 Å²	142.7	79%	0.79	76%	0.758	S	S	*	*			trans	-71.3	-178	150.4	-136	0	0	0	0	111.2
773	P	41.7	Very low	28.2	Very low	109 Å²	109	145 Å²	145	71%	0.708	77%	0.767	S	S	*	*			cis	-137.9	169.4	2.2	42.2	-25.3	0	0	0	116.8
774	E	26.2	Very low	27.8	Very low	186 Å²	186	142.2 Å²	142.2	87%	0.869	77%	0.766	S	S	*	*				-172.7	156.7	124.7	-105.9	177.4	-170.4	0	0	113.6
775	T	25.1	Very low	27.8	Very low	124 Å²	124	144.4 Å²	144.4	76%	0.761	77%	0.77	S	S	*	*			trans	-65.4	165.1	-172.6	43.5	0	0	0	0	114.7
776	V	25.4	Very low	27.7	Very low	116 Å²	116	145.2 Å²	145.2	70%	0.703	78%	0.776	S	S	*	*				-174.8	129	68.5	165	0	0	0	0	112.2
777	L	26.8	Very low	27.5	Very low	147 Å²	147	145.7 Å²	145.7	77%	0.77	78%	0.779	S	S	*	*			trans	62.3	159.7	159.5	-61.8	167.9	0	0	0	118.7
778	Q	25.7	Very low	27.6	Very low	157 Å²	157	143 Å²	143	73%	0.734	78%	0.778	S	S	*	*			cis	-154.4	153.2	11.7	-147	156.5	46	0	0	115
779	S	24.3	Very low	27.7	Very low	110 Å²	110	142.2 Å²	142.2	77%	0.769	78%	0.779	S	S	*	*			trans	62	123.4	153.1	49.7	0	0	0	0	124.8
780	K	21.8	Very low	28.1	Very low	162 Å²	162	137.3 Å²	137.3	70%	0.704	77%	0.766	S	S	*	*			trans	-74.4	170.7	152	-113.3	-177.9	174	-168.9	0	111.1	E782	K780-E782 HydrophobicContact CD-CG 3.89Å; K780-E782 WeakPolarHBondContact CE-OE1 3.32Å; K780-E782 HydrophobicContact CG-CG 4.32Å; K780-E782 IonicContact NZ-OE1 2.66Å; K780-E782 PolarHBondContact NZ-OE1 2.65Å
781	P	33.5	Very low	28.5	Very low	114 Å²	114	138 Å²	138	74%	0.74	77%	0.77	S	S	*	*			cis	-124.7	155.9	39.7	12.4	13.9	0	0	0	114.5
782	E	24.7	Very low	29.1	Very low	131 Å²	131	135.7 Å²	135.7	61%	0.612	76%	0.762	S	S	*	*				93.8	135.9	57.8	-71.1	-173.2	174.2	0	0	116.9	K780	K780-E782 HydrophobicContact CD-CG 3.89Å; K780-E782 WeakPolarHBondContact CE-OE1 3.32Å; K780-E782 HydrophobicContact CG-CG 4.32Å; K780-E782 IonicContact NZ-OE1 2.66Å; K780-E782 PolarHBondContact NZ-OE1 2.65Å
783	N	24.7	Very low	29.9	Very low	148 Å²	148	138.6 Å²	138.6	79%	0.791	76%	0.756	S	S	*	*			trans	70.2	137.5	175.6	-62.6	-19.5	0	0	0	117.5
784	T	25.7	Very low	30.2	Very low	131 Å²	131	137 Å²	137	80%	0.804	74%	0.744	S	S	*	*			cis	-150.5	171.1	-1.8	-8.3	0	0	0	0	112.4
785	T	30.9	Very low	31.1	Very low	132 Å²	132	130.6 Å²	130.6	81%	0.81	72%	0.718	S	S	*	*			trans	-66.9	140.7	-173.1	49.1	0	0	0	0	118.2
786	S	27.6	Very low	32.1	Very low	110 Å²	110	129.9 Å²	129.9	77%	0.769	71%	0.705	S	S	*	*			trans	-172.1	122.6	136.9	57.2	0	0	0	0	114
787	Q	29	Very low	33.3	Very low	187 Å²	187	125.5 Å²	125.5	87%	0.874	68%	0.679	S	S	*	*			trans	46.7	143.2	156.2	-69.3	178.3	-28.3	0	0	122.1
788	P	32.2	Very low	34.1	Very low	131 Å²	131	121.5 Å²	121.5	85%	0.851	67%	0.667	S	S	*	*	P	Polyproline II helix	trans	-76.8	142.7	170.3	33	-33.8	0	0	0	112
789	L	29.7	Very low	35.2	Very low	168 Å²	168	114.7 Å²	114.7	88%	0.88	64%	0.635	S	S	*	*	P	Polyproline II helix	trans	-82.8	152.7	176.6	-80.7	159.1	0	0	0	112.3
790	S	35.4	Very low	35.9	Very low	96 Å²	96	112.5 Å²	112.5	67%	0.671	62%	0.619	S	S	*	*	P	Polyproline II helix	trans	-66.8	143.1	173.9	53.8	0	0	0	0	112.5	Q792	S790-Q792 PolarHBondContact O-N 3.29Å
791	N	34.7	Very low	36.7	Very low	145 Å²	145	114.7 Å²	114.7	78%	0.775	63%	0.631	S	S	*	*			trans	-61.9	101.5	171.3	-70.8	-23.6	0	0	0	111.3
792	Q	39.8	Very low	37.4	Very low	133 Å²	133	111.7 Å²	111.7	62%	0.621	61%	0.611	S	S	*	*			trans	-77.3	128.8	159.8	-77.3	-179.4	-91.8	0	0	108.8	S790 E808	S790-Q792 PolarHBondContact O-N 3.29Å; Q792-E808 PolarHBondContact NE2-OE2 3.5Å
793	R	43.3	Very low	38.5	Very low	173 Å²	173	107.1 Å²	107.1	65%	0.653	60%	0.598	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-112.7	104.7	179.4	-154.7	175.6	-168.6	178.1	1.2	108.5	S809	R793-S809 PolarHBondContact O-N 2.67Å; R793-S809 PolarHBondContact O-OG 3.35Å
794	V	47.9	Very low	39.6	Very low	77 Å²	77	106.7 Å²	106.7	47%	0.467	59%	0.589	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-78.8	124.5	173.9	-173.7	0	0	0	0	108.4	M806 I807 E808	V794-M806 HydrophobicContact CG1-CE 3.7Å; V794-M806 HydrophobicContact CG1-SD 4.22Å; V794-I807 WeakPolarHBondContact CA-O 3.18Å; V794-E808 HydrophobicContact CG2-CG 4.42Å
795	V	45.7	Very low	40.7	Very low	51 Å²	51	103.4 Å²	103.4	31%	0.309	56%	0.564	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-118	130.1	-179.8	-176.6	0	0	0	0	108.6	V797 I807	V795-V797 HydrophobicContact CG1-CG2 4.06Å; V795-I807 PolarHBondContact N-O 3.06Å; V795-I807 PolarHBondContact O-N 3.05Å
796	E	46.4	Very low	41.4	Very low	108 Å²	108	104 Å²	104	51%	0.505	56%	0.559	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-90.7	110.4	174	-167.4	-169	-175.9	0	0	109.6	K804 F805 M806	E796-K804 WeakPolarHBondContact OE1-CD 3.23Å; E796-K804 WeakPolarHBondContact OE1-CE 3Å; E796-K804 WeakPolarHBondContact OE1-CG 3.5Å; E796-K804 IonicContact OE1-NZ 3.97Å; E796-K804 PolarHBondContact OE1-NZ 2.97Å; E796-K804 IonicContact OE2-NZ 2.95Å; E796-K804 PolarHBondContact OE2-NZ 2.81Å; E796-K804 VanDerWaalsContact OE2-NZ 3.09Å; E796-F805 WeakPolarHBondContact CA-O 3.28Å; E796-M806 HydrophobicContact CB-SD 4.39Å; E796-M806 HydrophobicContact CG-SD 4.41Å
797	V	49	Very low	42.6	Very low	25 Å²	25	99 Å²	99	15%	0.152	52%	0.524	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	123.8	176.8	179.2	0	0	0	0	109.6	V795 I799 F805 I807	V795-V797 HydrophobicContact CG1-CG2 4.06Å; V797-I799 HydrophobicContact CG1-CG1 4.23Å; V797-F805 PolarHBondContact N-O 2.92Å; V797-F805 PolarHBondContact O-N 2.91Å; V797-I807 HydrophobicContact CB-CD1 3.89Å; V797-I807 HydrophobicContact CG2-CD1 3.67Å
798	A	44.9	Very low	43.5	Very low	62 Å²	62	96.9 Å²	96.9	51%	0.512	51%	0.514	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	103.9	179.1	0	0	0	0	0	110.4	K804	A798-K804 HydrophobicContact CB-CG 3.96Å
799	I	48.3	Very low	44	Very low	14 Å²	14	91.6 Å²	91.6	7%	0.072	48%	0.48	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	119.9	-179.9	-55.9	-179.6	0	0	0	109.3	V797 H801 V802 G803 F805 I828	V797-I799 HydrophobicContact CG1-CG1 4.23Å; I799-H801 PolarHBondContact O-N 3.25Å; I799-V802 HydrophobicContact CB-CB 4.13Å; I799-V802 HydrophobicContact CG2-CB 3.81Å; I799-V802 HydrophobicContact CG2-CG2 3.82Å; I799-V802 PolarHBondContact O-N 3.33Å; I799-V802 VanDerWaalsContact O-N 3.17Å; I799-G803 PolarHBondContact N-O 3.36Å; I799-G803 PolarHBondContact O-N 3.43Å; I799-F805 HydrophobicContact CB-CD2 4.47Å; I799-F805 HydrophobicContact CB-CE2 4.38Å; I799-F805 HydrophobicContact CD1-CD2 3.83Å; I799-F805 HydrophobicContact CD1-CE2 4.01Å; I799-F805 HydrophobicContact CG1-CD2 4.06Å; I799-F805 HydrophobicContact CG1-CE2 4.36Å; I799-I828 HydrophobicContact CD1-CD1 4.35Å; I799-I828 HydrophobicContact CD1-CG2 4.1Å
800	P	38.2	Very low	44.9	Very low	65 Å²	65	92.2 Å²	92.2	42%	0.422	48%	0.476	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.5	133.2	179	-28.2	35.9	0	0	0	112.6	V802 M820	P800-V802 PolarHBondContact O-N 3.24Å; P800-M820 HydrophobicContact CG-CE 4.47Å
801	H	39.8	Very low	45.1	Very low	207 Å²	207	95.4 Å²	95.4	96%	0.958	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.5	0.5	-179.5	-49	-74.8	0	0	0	117.2	I799	I799-H801 PolarHBondContact O-N 3.25Å
802	V	48.5	Very low	45.8	Very low	52 Å²	52	92.5 Å²	92.5	32%	0.315	49%	0.485	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.8	-41.9	178.1	-171.5	0	0	0	0	111.9	I799 P800 F805 I828 M829	I799-V802 HydrophobicContact CB-CB 4.13Å; I799-V802 HydrophobicContact CG2-CB 3.81Å; I799-V802 HydrophobicContact CG2-CG2 3.82Å; I799-V802 PolarHBondContact O-N 3.33Å; I799-V802 VanDerWaalsContact O-N 3.17Å; P800-V802 PolarHBondContact O-N 3.24Å; V802-F805 HydrophobicContact CB-CE2 4.39Å; V802-F805 HydrophobicContact CG1-CE2 3.92Å; V802-F805 HydrophobicContact CG1-CZ 3.91Å; V802-I828 HydrophobicContact CG1-CG2 4.42Å; V802-M829 HydrophobicContact CG2-CB 4.29Å
803	G	47.3	Very low	46.3	Very low	34 Å²	34	88.3 Å²	88.3	35%	0.351	48%	0.477	S	S	.	.	E	Extended strand (participates in β ladder)	trans	142.5	-179.7	174.6	0	0	0	0	0	114.8	I799 F805	I799-G803 PolarHBondContact N-O 3.36Å; I799-G803 PolarHBondContact O-N 3.43Å; G803-F805 WeakPolarHBondContact O-CD2 3.4Å
804	K	46.5	Very low	47	Very low	140 Å²	140	82 Å²	82	61%	0.609	45%	0.454	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.9	131	168.9	-83.4	162.7	157.3	-89	0	109.4	E796 A798	E796-K804 WeakPolarHBondContact OE1-CD 3.23Å; E796-K804 WeakPolarHBondContact OE1-CE 3Å; E796-K804 WeakPolarHBondContact OE1-CG 3.5Å; E796-K804 IonicContact OE1-NZ 3.97Å; E796-K804 PolarHBondContact OE1-NZ 2.97Å; E796-K804 IonicContact OE2-NZ 2.95Å; E796-K804 PolarHBondContact OE2-NZ 2.81Å; E796-K804 VanDerWaalsContact OE2-NZ 3.09Å; A798-K804 HydrophobicContact CB-CG 3.96Å
805	F	50.3	Low	47.9	Very low	62 Å²	62	81.8 Å²	81.8	27%	0.272	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	133.4	-179.6	-65.8	-87.6	0	0	0	110.2	E796 V797 I799 V802 G803 I807	E796-F805 WeakPolarHBondContact CA-O 3.28Å; V797-F805 PolarHBondContact N-O 2.92Å; V797-F805 PolarHBondContact O-N 2.91Å; I799-F805 HydrophobicContact CB-CD2 4.47Å; I799-F805 HydrophobicContact CB-CE2 4.38Å; I799-F805 HydrophobicContact CD1-CD2 3.83Å; I799-F805 HydrophobicContact CD1-CE2 4.01Å; I799-F805 HydrophobicContact CG1-CD2 4.06Å; I799-F805 HydrophobicContact CG1-CE2 4.36Å; V802-F805 HydrophobicContact CB-CE2 4.39Å; V802-F805 HydrophobicContact CG1-CE2 3.92Å; V802-F805 HydrophobicContact CG1-CZ 3.91Å; G803-F805 WeakPolarHBondContact O-CD2 3.4Å; F805-I807 HydrophobicContact CB-CG1 4.47Å
806	M	45.4	Very low	48.9	Very low	143 Å²	143	83.9 Å²	83.9	70%	0.704	46%	0.459	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.7	111.7	172.1	-69.4	-80.4	-79.1	0	0	107.5	V794 E796	V794-M806 HydrophobicContact CG1-CE 3.7Å; V794-M806 HydrophobicContact CG1-SD 4.22Å; E796-M806 HydrophobicContact CB-SD 4.39Å; E796-M806 HydrophobicContact CG-SD 4.41Å
807	I	52.3	Low	49.9	Very low	5 Å²	5	85.4 Å²	85.4	3%	0.026	47%	0.466	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	119.3	-177.3	-54.6	172.5	0	0	0	109.3	V794 V795 V797 F805 S809 Y814 F906	V794-I807 WeakPolarHBondContact CA-O 3.18Å; V795-I807 PolarHBondContact N-O 3.06Å; V795-I807 PolarHBondContact O-N 3.05Å; V797-I807 HydrophobicContact CB-CD1 3.89Å; V797-I807 HydrophobicContact CG2-CD1 3.67Å; F805-I807 HydrophobicContact CB-CG1 4.47Å; I807-S809 PolarHBondContact O-N 3.12Å; I807-S809 VanDerWaalsContact O-N 3.17Å; I807-Y814 HydrophobicContact CB-CE1 4.48Å; I807-Y814 HydrophobicContact CD1-CE1 4.41Å; I807-Y814 HydrophobicContact CD1-CE2 4.34Å; I807-Y814 HydrophobicContact CG2-CD1 4.46Å; I807-Y814 HydrophobicContact CG2-CE1 3.5Å; I807-F906 HydrophobicContact CD1-CB 4.05Å; I807-F906 HydrophobicContact CD1-CD2 4.14Å; I807-F906 HydrophobicContact CD1-CG 4.37Å; I807-F906 HydrophobicContact CG1-CB 4.4Å; I807-F906 HydrophobicContact CG1-CD2 4.37Å; I807-F906 HydrophobicContact CG2-CB 3.96Å
808	E	47.8	Very low	51	Low	144 Å²	144	87 Å²	87	67%	0.673	47%	0.473	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.3	83.2	171.8	-68.6	-170.3	-164.9	0	0	110.2	Q792 V794	Q792-E808 PolarHBondContact NE2-OE2 3.5Å; V794-E808 HydrophobicContact CG2-CG 4.42Å
809	S	43.8	Very low	52.2	Low	19 Å²	19	84.5 Å²	84.5	13%	0.133	45%	0.451	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	137.2	179.7	69.7	0	0	0	0	112.6	R793 I807	R793-S809 PolarHBondContact O-N 2.67Å; R793-S809 PolarHBondContact O-OG 3.35Å; I807-S809 PolarHBondContact O-N 3.12Å; I807-S809 VanDerWaalsContact O-N 3.17Å
810	K	48.1	Very low	53.2	Low	182 Å²	182	88.1 Å²	88.1	79%	0.791	47%	0.469	S	S	*	.	P	Polyproline II helix	trans	-83.1	146.3	144.2	-65.7	-179.4	179.4	179.4	0	107.1	G812 G813	K810-G812 PolarHBondContact O-N 3.4Å; K810-G813 PolarHBondContact O-N 3.25Å
811	E	38.7	Very low	55.1	Low	162 Å²	162	86.1 Å²	86.1	76%	0.757	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	126.7	-176	-62.4	-178.2	128.1	0	0	111.2
812	G	50.6	Low	56.9	Low	85 Å²	85	77.4 Å²	77.4	88%	0.876	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.1	20.4	-179.3	0	0	0	0	0	116.6	K810	K810-G812 PolarHBondContact O-N 3.4Å
813	G	49.2	Very low	58.6	Low	45 Å²	45	76.1 Å²	76.1	46%	0.464	41%	0.409	S	S	.	.	S	Bend	trans	-74.7	-24.3	-173.8	0	0	0	0	0	117.8	K810	K810-G813 PolarHBondContact O-N 3.25Å
814	Y	58.9	Low	60.3	Low	41 Å²	41	74.8 Å²	74.8	16%	0.161	39%	0.393	C	S	.	.			trans	-162.7	164.5	-180	57.3	-88	0	0	0	110.1	I807 D816 M819 N903 F906	I807-Y814 HydrophobicContact CB-CE1 4.48Å; I807-Y814 HydrophobicContact CD1-CE1 4.41Å; I807-Y814 HydrophobicContact CD1-CE2 4.34Å; I807-Y814 HydrophobicContact CG2-CD1 4.46Å; I807-Y814 HydrophobicContact CG2-CE1 3.5Å; Y814-D816 WeakPolarHBondContact CE2-OD1 3.33Å; Y814-M819 HydrophobicContact CD2-CG 4.12Å; Y814-N903 WeakPolarHBondContact CA-OD1 3.39Å; Y814-F906 HydrophobicContact CD1-CB 4.24Å; Y814-F906 HydrophobicContact CE1-CB 4.47Å
815	D	66.8	Low	62.1	Low	71 Å²	71	70.6 Å²	70.6	38%	0.38	38%	0.376	S	S	.	.			trans	-105	121.5	-179.3	-178.3	-45.6	0	0	0	110.9	E817 I818 M819 N903	D815-E817 PolarHBondContact O-N 2.93Å; D815-E817 WeakPolarHBondContact OD1-CA 3.22Å; D815-E817 WeakPolarHBondContact OD1-CB 3.23Å; D815-E817 PolarHBondContact OD1-N 3.17Å; D815-I818 HydrophobicContact CB-CB 4.03Å; D815-I818 HydrophobicContact CB-CD1 3.85Å; D815-I818 HydrophobicContact CB-CG1 3.95Å; D815-I818 PolarHBondContact O-N 3.26Å; D815-I818 PolarHBondContact OD1-N 3.01Å; D815-M819 WeakPolarHBondContact O-CB 3.27Å; D815-M819 WeakPolarHBondContact O-CG 3.04Å; D815-M819 PolarHBondContact O-N 3.09Å; D815-N903 PolarHBondContact N-OD1 3.25Å
816	D	66.3	Low	63.7	Low	95 Å²	95	67.8 Å²	67.8	51%	0.508	36%	0.364	S	S	.	.	H	α-helix	trans	-66.7	-30.4	-177.8	-74.8	-45.7	0	0	0	113.3	Y814 M820	Y814-D816 WeakPolarHBondContact CE2-OD1 3.33Å; D816-M820 WeakPolarHBondContact O-CG 3.07Å; D816-M820 PolarHBondContact O-N 2.66Å
817	E	67.4	Low	65.8	Low	141 Å²	141	61 Å²	61	66%	0.659	33%	0.331	S	S	*	.	H	α-helix	trans	-74.2	-43.1	176.4	-65.8	-166.8	-170.6	0	0	111	D815 M819 M820 T821	D815-E817 PolarHBondContact O-N 2.93Å; D815-E817 WeakPolarHBondContact OD1-CA 3.22Å; D815-E817 WeakPolarHBondContact OD1-CB 3.23Å; D815-E817 PolarHBondContact OD1-N 3.17Å; E817-M819 VanDerWaalsContact C-N 3.32Å; E817-M819 PolarHBondContact O-N 3.17Å; E817-M820 PolarHBondContact O-N 3.22Å; E817-M820 VanDerWaalsContact O-N 3.11Å; E817-T821 PolarHBondContact O-N 3.15Å
818	I	71.5	Confident	67.4	Low	58 Å²	58	61.1 Å²	61.1	30%	0.297	33%	0.331	S	S	.	.	H	α-helix	trans	-61.7	-43.1	176.1	-63.3	178.2	0	0	0	110.3	D815 M820 T821 M824 N903	D815-I818 HydrophobicContact CB-CB 4.03Å; D815-I818 HydrophobicContact CB-CD1 3.85Å; D815-I818 HydrophobicContact CB-CG1 3.95Å; D815-I818 PolarHBondContact O-N 3.26Å; D815-I818 PolarHBondContact OD1-N 3.01Å; I818-M820 PolarHBondContact O-N 3.02Å; I818-T821 WeakPolarHBondContact O-CB 3.28Å; I818-T821 WeakPolarHBondContact O-CG2 3.47Å; I818-T821 PolarHBondContact O-N 3.17Å; I818-T821 PolarHBondContact O-OG1 2.85Å; I818-M824 HydrophobicContact CG2-CE 4.08Å; I818-M824 VanDerWaalsContact O-CB 3.27Å; I818-M824 WeakPolarHBondContact O-CB 3.27Å; I818-N903 HydrophobicContact CG2-CB 4.39Å
819	M	70.9	Confident	69.2	Low	10 Å²	10	56.9 Å²	56.9	5%	0.049	31%	0.312	C	S	.	.	H	α-helix	trans	-59.2	-28.9	175.2	-76.1	-75.4	-78.1	0	0	113.5	Y814 D815 E817 M824 I828 F906	Y814-M819 HydrophobicContact CD2-CG 4.12Å; D815-M819 WeakPolarHBondContact O-CB 3.27Å; D815-M819 WeakPolarHBondContact O-CG 3.04Å; D815-M819 PolarHBondContact O-N 3.09Å; E817-M819 VanDerWaalsContact C-N 3.32Å; E817-M819 PolarHBondContact O-N 3.17Å; M819-M824 HydrophobicContact SD-CG 4.09Å; M819-I828 HydrophobicContact CE-CD1 3.99Å; M819-I828 HydrophobicContact SD-CD1 3.91Å; M819-F906 HydrophobicContact CE-CB 4.45Å; M819-F906 HydrophobicContact CE-CD1 3.39Å; M819-F906 HydrophobicContact CE-CD2 4.23Å; M819-F906 HydrophobicContact CE-CE1 3.54Å; M819-F906 HydrophobicContact CE-CE2 4.35Å; M819-F906 HydrophobicContact CE-CG 3.77Å; M819-F906 HydrophobicContact CE-CZ 4.03Å; M819-F906 HydrophobicContact SD-CD1 3.84Å; M819-F906 HydrophobicContact SD-CE1 3.93Å
820	M	69.6	Low	71.3	Confident	89 Å²	89	56.1 Å²	56.1	44%	0.438	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89	-0.3	176.6	-71.1	-63.4	-72.1	0	0	114.4	P800 D816 E817 I818 Q825	P800-M820 HydrophobicContact CG-CE 4.47Å; D816-M820 WeakPolarHBondContact O-CG 3.07Å; D816-M820 PolarHBondContact O-N 2.66Å; E817-M820 PolarHBondContact O-N 3.22Å; E817-M820 VanDerWaalsContact O-N 3.11Å; I818-M820 PolarHBondContact O-N 3.02Å; M820-Q825 PolarHBondContact O-NE2 3.2Å; M820-Q825 VanDerWaalsContact O-NE2 3.15Å
821	T	77.4	Confident	73.2	Confident	23 Å²	23	47.6 Å²	47.6	14%	0.141	27%	0.27	C	S	.	.	S	Bend	trans	-68.9	148.8	175.5	63.8	0	0	0	0	112.6	E817 I818 N823 M824 Q825	E817-T821 PolarHBondContact O-N 3.15Å; I818-T821 WeakPolarHBondContact O-CB 3.28Å; I818-T821 WeakPolarHBondContact O-CG2 3.47Å; I818-T821 PolarHBondContact O-N 3.17Å; I818-T821 PolarHBondContact O-OG1 2.85Å; T821-N823 PolarHBondContact O-N 3.12Å; T821-M824 PolarHBondContact O-N 3.04Å; T821-M824 VanDerWaalsContact O-N 3.14Å; T821-M824 WeakPolarHBondContact OG1-CB 3.25Å; T821-M824 PolarHBondContact OG1-N 2.92Å; T821-Q825 WeakPolarHBondContact O-CG 3.19Å; T821-Q825 PolarHBondContact O-N 3.37Å
822	P	78.6	Confident	75.4	Confident	24 Å²	24	41.9 Å²	41.9	16%	0.156	26%	0.255	C	S	.	.	H	α-helix	trans	-54.6	-38.6	175.5	-27.8	35.2	0	0	0	113.5	G826 H875 H876	P822-G826 PolarHBondContact O-N 3.22Å; P822-H875 HydrophobicContact CB-CB 4.13Å; P822-H875 HydrophobicContact CG-CB 4.35Å; P822-H876 VanDerWaalsContact C-CE1 3.42Å; P822-H876 PolarHBondContact O-CE1 3.32Å
823	N	83.1	Confident	77.1	Confident	25 Å²	25	44 Å²	44	13%	0.134	24%	0.24	C	C	.	.	H	α-helix	trans	-57.4	-55.2	175.1	-68.4	-65.5	0	0	0	111.2	T821 Q825 G826 I827 H875 H876 Q898	T821-N823 PolarHBondContact O-N 3.12Å; N823-Q825 PolarHBondContact O-N 3.47Å; N823-G826 PolarHBondContact O-N 3.19Å; N823-I827 WeakPolarHBondContact O-CD1 3.32Å; N823-I827 WeakPolarHBondContact O-CG1 3.13Å; N823-I827 PolarHBondContact O-N 2.84Å; N823-I827 VanDerWaalsContact O-N 3.1Å; N823-H875 PolarHBondContact ND2-O 2.9Å; N823-H875 PolarHBondContact OD1-O 2.78Å; N823-H876 PolarHBondContact OD1-ND1 3.27Å; N823-Q898 PolarHBondContact OD1-NE2 3.32Å
824	M	84.2	Confident	79	Confident	6 Å²	6	41.9 Å²	41.9	3%	0.03	22%	0.218	C	C	.	.	H	α-helix	trans	-66.4	-40.2	-175.6	-161.3	55.6	68.8	0	0	111.8	I818 M819 T821 G826 I827 I828 D901 N903 L904	I818-M824 HydrophobicContact CG2-CE 4.08Å; I818-M824 VanDerWaalsContact O-CB 3.27Å; I818-M824 WeakPolarHBondContact O-CB 3.27Å; M819-M824 HydrophobicContact SD-CG 4.09Å; T821-M824 PolarHBondContact O-N 3.04Å; T821-M824 VanDerWaalsContact O-N 3.14Å; T821-M824 WeakPolarHBondContact OG1-CB 3.25Å; T821-M824 PolarHBondContact OG1-N 2.92Å; M824-G826 VanDerWaalsContact C-N 3.34Å; M824-G826 PolarHBondContact O-N 3.43Å; M824-I827 PolarHBondContact O-N 2.84Å; M824-I828 HydrophobicContact CG-CD1 3.87Å; M824-I828 HydrophobicContact CG-CG1 4.43Å; M824-I828 WeakPolarHBondContact O-CB 3.39Å; M824-I828 VanDerWaalsContact O-CG1 3.26Å; M824-I828 WeakPolarHBondContact O-CG1 3.35Å; M824-I828 PolarHBondContact O-N 2.77Å; M824-D901 HydrophobicContact CE-CB 3.85Å; M824-D901 VanDerWaalsContact CE-OD2 3.28Å; M824-D901 WeakPolarHBondContact CE-OD2 3.43Å; M824-N903 HydrophobicContact CE-CB 4.4Å; M824-L904 HydrophobicContact SD-CD1 4.38Å; M824-L904 HydrophobicContact SD-CD2 3.5Å; M824-L904 VanDerWaalsContact SD-CD2 3.5Å; M824-L904 HydrophobicContact SD-CG 3.73Å
825	Q	82.8	Confident	80.4	Confident	53 Å²	53	46.7 Å²	46.7	25%	0.248	24%	0.236	C	C	.	.	H	α-helix	trans	-61.1	-38.9	174.2	-69.1	179.1	-1.3	0	0	112.8	M820 T821 N823 M829	M820-Q825 PolarHBondContact O-NE2 3.2Å; M820-Q825 VanDerWaalsContact O-NE2 3.15Å; T821-Q825 WeakPolarHBondContact O-CG 3.19Å; T821-Q825 PolarHBondContact O-N 3.37Å; N823-Q825 PolarHBondContact O-N 3.47Å; Q825-M829 WeakPolarHBondContact O-CB 3.43Å; Q825-M829 PolarHBondContact O-N 3.41Å
826	G	84.9	Confident	81.2	Confident	2 Å²	2	47.7 Å²	47.7	2%	0.021	25%	0.248	C	C	.	.	H	α-helix	trans	-60.3	-51	173.3	0	0	0	0	0	112.4	P822 N823 M824 M829 A830	P822-G826 PolarHBondContact O-N 3.22Å; N823-G826 PolarHBondContact O-N 3.19Å; M824-G826 VanDerWaalsContact C-N 3.34Å; M824-G826 PolarHBondContact O-N 3.43Å; G826-M829 WeakPolarHBondContact O-CB 3.31Å; G826-M829 PolarHBondContact O-N 3.23Å; G826-A830 WeakPolarHBondContact O-CB 3.39Å; G826-A830 PolarHBondContact O-N 3.12Å
827	I	88.4	Confident	82.2	Confident	2 Å²	2	44.8 Å²	44.8	1%	0.01	23%	0.234	C	C	.	.	H	α-helix	trans	-60.9	-49	179.4	-64.4	159.1	0	0	0	111.2	N823 M824 M829 A830 I831 E854 Q898 F899 L904	N823-I827 WeakPolarHBondContact O-CD1 3.32Å; N823-I827 WeakPolarHBondContact O-CG1 3.13Å; N823-I827 PolarHBondContact O-N 2.84Å; N823-I827 VanDerWaalsContact O-N 3.1Å; M824-I827 PolarHBondContact O-N 2.84Å; I827-M829 VanDerWaalsContact C-N 3.33Å; I827-M829 PolarHBondContact O-N 3.33Å; I827-A830 PolarHBondContact O-N 3.11Å; I827-A830 VanDerWaalsContact O-N 3.12Å; I827-I831 HydrophobicContact CG2-CD1 3.93Å; I827-I831 WeakPolarHBondContact O-CG1 3.45Å; I827-I831 PolarHBondContact O-N 3.09Å; I827-E854 HydrophobicContact CG1-CG 4.34Å; I827-Q898 HydrophobicContact CD1-CB 3.84Å; I827-F899 HydrophobicContact CB-CZ 4.49Å; I827-F899 HydrophobicContact CG1-CD2 4.35Å; I827-F899 HydrophobicContact CG1-CE2 4.05Å; I827-F899 HydrophobicContact CG1-CZ 4.41Å; I827-F899 HydrophobicContact CG2-CD1 3.93Å; I827-F899 HydrophobicContact CG2-CD2 4.32Å; I827-F899 HydrophobicContact CG2-CE1 3.8Å; I827-F899 HydrophobicContact CG2-CE2 4.21Å; I827-F899 HydrophobicContact CG2-CG 4.19Å; I827-F899 HydrophobicContact CG2-CZ 3.95Å; I827-L904 HydrophobicContact CG2-CD1 4.04Å; I827-L904 HydrophobicContact CG2-CD2 3.99Å
828	I	85.8	Confident	83.3	Confident	6 Å²	6	39.6 Å²	39.6	3%	0.031	21%	0.208	C	C	.	.	H	α-helix	trans	-60.3	-43.3	177.5	-68.5	169.3	0	0	0	110.7	I799 V802 M819 M824 A830 I831 G832 L904 F906	I799-I828 HydrophobicContact CD1-CD1 4.35Å; I799-I828 HydrophobicContact CD1-CG2 4.1Å; V802-I828 HydrophobicContact CG1-CG2 4.42Å; M819-I828 HydrophobicContact CE-CD1 3.99Å; M819-I828 HydrophobicContact SD-CD1 3.91Å; M824-I828 HydrophobicContact CG-CD1 3.87Å; M824-I828 HydrophobicContact CG-CG1 4.43Å; M824-I828 WeakPolarHBondContact O-CB 3.39Å; M824-I828 VanDerWaalsContact O-CG1 3.26Å; M824-I828 WeakPolarHBondContact O-CG1 3.35Å; M824-I828 PolarHBondContact O-N 2.77Å; I828-A830 PolarHBondContact O-N 2.99Å; I828-I831 PolarHBondContact O-N 3.15Å; I828-G832 PolarHBondContact O-N 2.95Å; I828-L904 HydrophobicContact CG1-CD2 3.98Å; I828-F906 HydrophobicContact CD1-CE1 3.76Å; I828-F906 HydrophobicContact CD1-CZ 3.8Å; I828-F906 HydrophobicContact CG1-CE1 3.99Å; I828-F906 HydrophobicContact CG1-CZ 3.9Å; I828-F906 HydrophobicContact CG2-CZ 4.19Å
829	M	85.7	Confident	84	Confident	55 Å²	55	41.1 Å²	41.1	27%	0.271	22%	0.217	S	C	.	.	H	α-helix	trans	-62.8	-39.2	174.4	169.4	175.6	44	0	0	112.4	V802 Q825 G826 I827 G832 K833	V802-M829 HydrophobicContact CG2-CB 4.29Å; Q825-M829 WeakPolarHBondContact O-CB 3.43Å; Q825-M829 PolarHBondContact O-N 3.41Å; G826-M829 WeakPolarHBondContact O-CB 3.31Å; G826-M829 PolarHBondContact O-N 3.23Å; I827-M829 VanDerWaalsContact C-N 3.33Å; I827-M829 PolarHBondContact O-N 3.33Å; M829-G832 PolarHBondContact O-N 3.1Å; M829-K833 HydrophobicContact CG-CD 3.93Å; M829-K833 WeakPolarHBondContact O-CB 3.48Å; M829-K833 VanDerWaalsContact O-CG 3.27Å; M829-K833 WeakPolarHBondContact O-CG 3.37Å; M829-K833 PolarHBondContact O-N 2.82Å; M829-K833 PolarHBondContact SD-NZ 3.39Å
830	A	88.5	Confident	84.8	Confident	3 Å²	3	49.8 Å²	49.8	3%	0.025	25%	0.249	C	C	.	.	H	α-helix	trans	-69.3	-37.5	177.9	0	0	0	0	0	112.3	G826 I827 I828 K833 S834 L853 E854	G826-A830 WeakPolarHBondContact O-CB 3.39Å; G826-A830 PolarHBondContact O-N 3.12Å; I827-A830 PolarHBondContact O-N 3.11Å; I827-A830 VanDerWaalsContact O-N 3.12Å; I828-A830 PolarHBondContact O-N 2.99Å; A830-K833 PolarHBondContact O-N 2.67Å; A830-S834 PolarHBondContact O-N 2.92Å; A830-L853 HydrophobicContact CB-CB 4.28Å; A830-E854 HydrophobicContact CB-CB 3.75Å
831	I	87.5	Confident	85.6	Confident	3 Å²	3	49 Å²	49	2%	0.015	25%	0.251	C	S	.	.	H	α-helix	trans	-64	-47.2	170.7	-70.5	170.1	0	0	0	110.7	I827 I828 K833 S834 R835 A850 F899 L904 R909 I913	I827-I831 HydrophobicContact CG2-CD1 3.93Å; I827-I831 WeakPolarHBondContact O-CG1 3.45Å; I827-I831 PolarHBondContact O-N 3.09Å; I828-I831 PolarHBondContact O-N 3.15Å; I831-K833 VanDerWaalsContact C-N 3.29Å; I831-K833 PolarHBondContact O-N 2.88Å; I831-S834 PolarHBondContact O-N 3Å; I831-S834 PolarHBondContact O-OG 3.32Å; I831-R835 PolarHBondContact O-N 3.22Å; I831-A850 HydrophobicContact CG1-CB 4.03Å; I831-F899 HydrophobicContact CD1-CD1 4.42Å; I831-F899 HydrophobicContact CD1-CE1 4.24Å; I831-F899 HydrophobicContact CG1-CE1 4.01Å; I831-L904 HydrophobicContact CD1-CD2 4.24Å; I831-R909 HydrophobicContact CG2-CG 4.1Å; I831-I913 HydrophobicContact CB-CD1 4.39Å; I831-I913 HydrophobicContact CD1-CG2 4.01Å; I831-I913 HydrophobicContact CG1-CD1 4.03Å; I831-I913 HydrophobicContact CG1-CG2 4.16Å; I831-I913 HydrophobicContact CG2-CD1 3.8Å
832	G	84.9	Confident	86.1	Confident	42 Å²	42	49.1 Å²	49.1	43%	0.433	26%	0.258	S	S	.	.	H	α-helix	trans	-57.1	-42.3	174.8	0	0	0	0	0	112.5	I828 M829 S834 R835	I828-G832 PolarHBondContact O-N 2.95Å; M829-G832 PolarHBondContact O-N 3.1Å; G832-S834 VanDerWaalsContact C-N 3.3Å; G832-S834 PolarHBondContact O-N 3.01Å; G832-R835 VanDerWaalsContact O-CB 3.22Å; G832-R835 WeakPolarHBondContact O-CB 3.46Å; G832-R835 PolarHBondContact O-N 3.26Å
833	K	86.7	Confident	86.5	Confident	130 Å²	130	50.7 Å²	50.7	57%	0.565	27%	0.268	S	S	*	.	H	α-helix	trans	-72.1	-16	175.3	-71.8	168.3	-179.7	171.4	0	114	M829 A830 I831 L853	M829-K833 HydrophobicContact CG-CD 3.93Å; M829-K833 WeakPolarHBondContact O-CB 3.48Å; M829-K833 VanDerWaalsContact O-CG 3.27Å; M829-K833 WeakPolarHBondContact O-CG 3.37Å; M829-K833 PolarHBondContact O-N 2.82Å; M829-K833 PolarHBondContact SD-NZ 3.39Å; A830-K833 PolarHBondContact O-N 2.67Å; I831-K833 VanDerWaalsContact C-N 3.29Å; I831-K833 PolarHBondContact O-N 2.88Å; K833-L853 HydrophobicContact CB-CD1 3.74Å
834	S	89.6	Confident	86.7	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-86.5	-10	174.2	85.3	0	0	0	0	113.7	A830 I831 G832 S836 V837 Y838 G846	A830-S834 PolarHBondContact O-N 2.92Å; I831-S834 PolarHBondContact O-N 3Å; I831-S834 PolarHBondContact O-OG 3.32Å; G832-S834 VanDerWaalsContact C-N 3.3Å; G832-S834 PolarHBondContact O-N 3.01Å; S834-S836 PolarHBondContact O-N 2.76Å; S834-S836 VanDerWaalsContact O-N 3.14Å; S834-V837 WeakPolarHBondContact O-CA 3.45Å; S834-V837 WeakPolarHBondContact O-CB 3.35Å; S834-V837 PolarHBondContact O-N 3.29Å; S834-Y838 PolarHBondContact O-N 3.34Å; S834-G846 WeakPolarHBondContact CB-O 3.47Å; S834-G846 PolarHBondContact OG-O 2.82Å
835	R	86.8	Confident	86.7	Confident	143 Å²	143	55 Å²	55	54%	0.54	29%	0.293	S	S	.	.	H	α-helix	trans	-43.1	-51	-173	177.6	170.3	-178.6	172.1	3.3	115	I831 G832 V837 Y838 D839	I831-R835 PolarHBondContact O-N 3.22Å; G832-R835 VanDerWaalsContact O-CB 3.22Å; G832-R835 WeakPolarHBondContact O-CB 3.46Å; G832-R835 PolarHBondContact O-N 3.26Å; R835-V837 PolarHBondContact O-N 2.87Å; R835-Y838 PolarHBondContact O-N 3.16Å; R835-D839 WeakPolarHBondContact CG-OD2 3.36Å; R835-D839 IonicContact CZ-OD2 3.24Å; R835-D839 IonicContact NE-OD2 2.9Å; R835-D839 PolarHBondContact NE-OD2 3.49Å; R835-D839 IonicContact NH2-OD2 3.04Å; R835-D839 VanDerWaalsContact O-CB 3.3Å; R835-D839 WeakPolarHBondContact O-CB 3.23Å; R835-D839 PolarHBondContact O-N 3.26Å
836	S	85.4	Confident	86.9	Confident	91 Å²	91	52.5 Å²	52.5	64%	0.636	28%	0.281	S	S	*	.	H	α-helix	trans	-69.2	-13.5	-177.7	59.4	0	0	0	0	114.7	S834 R840	S834-S836 PolarHBondContact O-N 2.76Å; S834-S836 VanDerWaalsContact O-N 3.14Å; S836-R840 WeakPolarHBondContact O-CB 3.46Å
837	V	87.3	Confident	87.3	Confident	34 Å²	34	52.6 Å²	52.6	21%	0.206	28%	0.281	C	S	.	.	H	α-helix	trans	-91	-43.1	169.6	-178.5	0	0	0	0	110.3	S834 R835 R840 C841 A845 K849	S834-V837 WeakPolarHBondContact O-CA 3.45Å; S834-V837 WeakPolarHBondContact O-CB 3.35Å; S834-V837 PolarHBondContact O-N 3.29Å; R835-V837 PolarHBondContact O-N 2.87Å; V837-R840 PolarHBondContact O-N 3.2Å; V837-C841 HydrophobicContact CG1-CB 4.4Å; V837-C841 WeakPolarHBondContact O-CA 3.25Å; V837-C841 VanDerWaalsContact O-CB 3.3Å; V837-C841 WeakPolarHBondContact O-CB 3.33Å; V837-C841 PolarHBondContact O-N 2.87Å; V837-A845 HydrophobicContact CG1-CB 4.07Å; V837-K849 HydrophobicContact CB-CB 4.3Å; V837-K849 HydrophobicContact CB-CG 4.34Å; V837-K849 HydrophobicContact CG1-CB 4.25Å; V837-K849 HydrophobicContact CG2-CB 4.44Å; V837-K849 HydrophobicContact CG2-CG 4.02Å
838	Y	89.6	Confident	87.3	Confident	33 Å²	33	56.6 Å²	56.6	13%	0.129	30%	0.298	C	S	.	.	H	α-helix	trans	-56.8	-55.4	173.5	179.8	-80	0	0	0	111.4	S834 R835 R840 C841 G842 P843 R909 N912 I913	S834-Y838 PolarHBondContact O-N 3.34Å; R835-Y838 PolarHBondContact O-N 3.16Å; Y838-R840 PolarHBondContact O-N 3.38Å; Y838-C841 PolarHBondContact O-N 2.9Å; Y838-G842 WeakPolarHBondContact O-CA 3.33Å; Y838-G842 PolarHBondContact O-N 3.38Å; Y838-P843 HydrophobicContact CD2-CB 4.32Å; Y838-P843 HydrophobicContact CE2-CB 3.7Å; Y838-R909 HydrophobicContact CD1-CG 3.89Å; Y838-R909 HydrophobicContact CD2-CG 3.61Å; Y838-R909 HydrophobicContact CE1-CB 4.29Å; Y838-R909 HydrophobicContact CE1-CG 3.96Å; Y838-R909 HydrophobicContact CE2-CB 4.33Å; Y838-R909 HydrophobicContact CE2-CG 3.66Å; Y838-R909 HydrophobicContact CG-CG 3.73Å; Y838-N912 HydrophobicContact CE2-CB 4.26Å; Y838-N912 WeakPolarHBondContact OH-CB 3.47Å; Y838-N912 PolarHBondContact OH-ND2 2.86Å; Y838-I913 HydrophobicContact CD2-CD1 3.95Å; Y838-I913 HydrophobicContact CD2-CG1 3.99Å; Y838-I913 HydrophobicContact CE2-CD1 4.4Å; Y838-I913 HydrophobicContact CE2-CG1 4.07Å
839	D	87.1	Confident	87.4	Confident	89 Å²	89	60.5 Å²	60.5	48%	0.476	32%	0.315	S	S	.	.	H	α-helix	trans	-64.1	-13	-175.1	-62	1.5	0	0	0	112.3	R835 R909	R835-D839 WeakPolarHBondContact CG-OD2 3.36Å; R835-D839 IonicContact CZ-OD2 3.24Å; R835-D839 IonicContact NE-OD2 2.9Å; R835-D839 PolarHBondContact NE-OD2 3.49Å; R835-D839 IonicContact NH2-OD2 3.04Å; R835-D839 VanDerWaalsContact O-CB 3.3Å; R835-D839 WeakPolarHBondContact O-CB 3.23Å; R835-D839 PolarHBondContact O-N 3.26Å; D839-R909 IonicContact OD1-CZ 3.13Å; D839-R909 IonicContact OD1-NE 2.68Å; D839-R909 PolarHBondContact OD1-NE 2.91Å; D839-R909 IonicContact OD1-NH2 2.74Å; D839-R909 PolarHBondContact OD1-NH2 2.83Å; D839-R909 IonicContact OD2-NH2 2.85Å
840	R	87.9	Confident	87.6	Confident	193 Å²	193	57.9 Å²	57.9	73%	0.728	30%	0.302	S	S	*	.	H	α-helix	trans	-114	-29.4	-179	-171.6	-176.7	67.4	-171.9	-2.7	114.6	S836 V837 Y838	S836-R840 WeakPolarHBondContact O-CB 3.46Å; V837-R840 PolarHBondContact O-N 3.2Å; Y838-R840 PolarHBondContact O-N 3.38Å
841	C	85.8	Confident	87.7	Confident	71 Å²	71	58.7 Å²	58.7	48%	0.48	31%	0.306	S	S	.	.	H	α-helix	trans	-129.7	5.9	-168.2	-58.6	0	0	0	0	113.4	V837 Y838 A845	V837-C841 HydrophobicContact CG1-CB 4.4Å; V837-C841 WeakPolarHBondContact O-CA 3.25Å; V837-C841 VanDerWaalsContact O-CB 3.3Å; V837-C841 WeakPolarHBondContact O-CB 3.33Å; V837-C841 PolarHBondContact O-N 2.87Å; Y838-C841 PolarHBondContact O-N 2.9Å; C841-A845 HydrophobicContact CB-CB 3.52Å; C841-A845 WeakPolarHBondContact O-CB 3.46Å
842	G	87.4	Confident	87.7	Confident	27 Å²	27	65.3 Å²	65.3	28%	0.278	33%	0.334	S	S	.	.	H	α-helix	trans	86.3	174.3	174.3	0	0	0	0	0	114.9	Y838 E844 A845 G846	Y838-G842 WeakPolarHBondContact O-CA 3.33Å; Y838-G842 PolarHBondContact O-N 3.38Å; G842-E844 PolarHBondContact O-N 3.28Å; G842-A845 PolarHBondContact O-N 3.14Å; G842-G846 PolarHBondContact O-N 2.64Å
843	P	87.6	Confident	87.9	Confident	56 Å²	56	65.8 Å²	65.8	36%	0.364	33%	0.327	S	S	.	.	H	α-helix	trans	-64.2	-38.3	-169.4	24.3	-34.2	0	0	0	113.6	Y838 G846 F847 N912 V916	Y838-P843 HydrophobicContact CD2-CB 4.32Å; Y838-P843 HydrophobicContact CE2-CB 3.7Å; P843-G846 PolarHBondContact O-N 2.81Å; P843-F847 WeakPolarHBondContact O-CB 3.39Å; P843-F847 PolarHBondContact O-N 2.82Å; P843-N912 HydrophobicContact CB-CB 4.22Å; P843-V916 HydrophobicContact CB-CG2 4.16Å
844	E	87.6	Confident	88.2	Confident	91 Å²	91	59.7 Å²	59.7	43%	0.425	30%	0.3	S	S	.	.	H	α-helix	trans	-66.4	-41.9	179.1	-176.5	171.6	-151	0	0	112.4	G842 G846 F847 F848 V916 K920	G842-E844 PolarHBondContact O-N 3.28Å; E844-G846 VanDerWaalsContact C-N 3.33Å; E844-F847 PolarHBondContact O-N 3.35Å; E844-F848 HydrophobicContact CG-CD2 3.74Å; E844-F848 HydrophobicContact CG-CE2 3.56Å; E844-F848 VanDerWaalsContact O-CD2 3.26Å; E844-F848 WeakPolarHBondContact O-CD2 3.29Å; E844-F848 PolarHBondContact O-N 3.25Å; E844-V916 HydrophobicContact CB-CG1 4.43Å; E844-V916 HydrophobicContact CG-CG1 4.37Å; E844-K920 WeakPolarHBondContact OE1-CE 3.31Å; E844-K920 IonicContact OE1-NZ 2.95Å; E844-K920 PolarHBondContact OE1-NZ 2.88Å
845	A	84.4	Confident	88.3	Confident	32 Å²	32	63.9 Å²	63.9	26%	0.264	32%	0.317	S	S	.	.	H	α-helix	trans	-67.7	-34.6	174.3	0	0	0	0	0	112.2	V837 C841 G842 K849	V837-A845 HydrophobicContact CG1-CB 4.07Å; C841-A845 HydrophobicContact CB-CB 3.52Å; C841-A845 WeakPolarHBondContact O-CB 3.46Å; G842-A845 PolarHBondContact O-N 3.14Å; A845-K849 WeakPolarHBondContact O-CB 3.26Å; A845-K849 PolarHBondContact O-N 3Å; A845-K849 VanDerWaalsContact O-N 3.13Å
846	G	86.9	Confident	88.4	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-62.5	-49.9	171.4	0	0	0	0	0	112.5	S834 G842 P843 E844 K849 A850	S834-G846 WeakPolarHBondContact CB-O 3.47Å; S834-G846 PolarHBondContact OG-O 2.82Å; G842-G846 PolarHBondContact O-N 2.64Å; P843-G846 PolarHBondContact O-N 2.81Å; E844-G846 VanDerWaalsContact C-N 3.33Å; G846-K849 PolarHBondContact O-N 3.41Å; G846-A850 WeakPolarHBondContact O-CB 3.35Å; G846-A850 PolarHBondContact O-N 2.9Å
847	F	92.8	Very high	88.8	Confident	4 Å²	4	58 Å²	58	2%	0.018	29%	0.291	C	S	.	.	H	α-helix	trans	-56.6	-53.9	175	165.1	-104.4	0	0	0	111.5	P843 E844 K849 A850 I851 L896 F899 I913 V916 A917 K920	P843-F847 WeakPolarHBondContact O-CB 3.39Å; P843-F847 PolarHBondContact O-N 2.82Å; E844-F847 PolarHBondContact O-N 3.35Å; F847-K849 PolarHBondContact O-N 3.45Å; F847-K849 VanDerWaalsContact O-N 3.12Å; F847-A850 PolarHBondContact O-N 2.96Å; F847-I851 HydrophobicContact CE1-CG2 4.38Å; F847-I851 HydrophobicContact CE2-CB 4.13Å; F847-I851 HydrophobicContact CE2-CD1 4.02Å; F847-I851 HydrophobicContact CE2-CG2 4.38Å; F847-I851 HydrophobicContact CZ-CB 4.27Å; F847-I851 HydrophobicContact CZ-CD1 3.72Å; F847-I851 HydrophobicContact CZ-CG2 4.13Å; F847-I851 WeakPolarHBondContact O-CG2 3.46Å; F847-I851 PolarHBondContact O-N 3.48Å; F847-L896 HydrophobicContact CE1-CD2 4.39Å; F847-L896 HydrophobicContact CE2-CD2 4.32Å; F847-L896 HydrophobicContact CZ-CD2 3.58Å; F847-F899 HydrophobicContact CD2-CD1 4.2Å; F847-F899 HydrophobicContact CE2-CB 4.09Å; F847-F899 HydrophobicContact CE2-CD1 4.22Å; F847-F899 HydrophobicContact CE2-CG 4.2Å; F847-I913 HydrophobicContact CB-CG1 4.4Å; F847-I913 HydrophobicContact CB-CG2 4.06Å; F847-I913 HydrophobicContact CD2-CG2 3.95Å; F847-V916 HydrophobicContact CB-CB 4.24Å; F847-V916 HydrophobicContact CB-CG1 3.91Å; F847-V916 HydrophobicContact CD1-CG1 3.59Å; F847-V916 HydrophobicContact CE1-CG1 4.34Å; F847-V916 HydrophobicContact CG-CB 4.34Å; F847-V916 HydrophobicContact CG-CG1 3.78Å; F847-A917 HydrophobicContact CD2-CB 4.28Å; F847-A917 HydrophobicContact CE2-CB 3.83Å; F847-A917 HydrophobicContact CZ-CB 4.45Å; F847-K920 HydrophobicContact CE1-CG 4.36Å
848	F	87.6	Confident	89.1	Confident	85 Å²	85	56.3 Å²	56.3	37%	0.373	28%	0.282	S	S	.	.	H	α-helix	trans	-61.9	-23.2	179.5	-80.4	-55.7	0	0	0	113.6	E844 K852	E844-F848 HydrophobicContact CG-CD2 3.74Å; E844-F848 HydrophobicContact CG-CE2 3.56Å; E844-F848 VanDerWaalsContact O-CD2 3.26Å; E844-F848 WeakPolarHBondContact O-CD2 3.29Å; E844-F848 PolarHBondContact O-N 3.25Å; F848-K852 WeakPolarHBondContact O-CB 3.32Å; F848-K852 VanDerWaalsContact O-CD 3.3Å; F848-K852 WeakPolarHBondContact O-CD 3.49Å; F848-K852 VanDerWaalsContact O-CG 3.24Å; F848-K852 WeakPolarHBondContact O-CG 3.37Å
849	K	87.9	Confident	89.1	Confident	88 Å²	88	56.2 Å²	56.2	38%	0.383	28%	0.284	S	S	.	.	H	α-helix	trans	-80.5	-40	170.4	-179.2	57.9	177	168.8	0	112.1	V837 A845 G846 F847 L853	V837-K849 HydrophobicContact CB-CB 4.3Å; V837-K849 HydrophobicContact CB-CG 4.34Å; V837-K849 HydrophobicContact CG1-CB 4.25Å; V837-K849 HydrophobicContact CG2-CB 4.44Å; V837-K849 HydrophobicContact CG2-CG 4.02Å; A845-K849 WeakPolarHBondContact O-CB 3.26Å; A845-K849 PolarHBondContact O-N 3Å; A845-K849 VanDerWaalsContact O-N 3.13Å; G846-K849 PolarHBondContact O-N 3.41Å; F847-K849 PolarHBondContact O-N 3.45Å; F847-K849 VanDerWaalsContact O-N 3.12Å; K849-L853 HydrophobicContact CD-CD1 4.3Å; K849-L853 HydrophobicContact CD-CG 4.31Å; K849-L853 HydrophobicContact CG-CD1 4.17Å; K849-L853 VanDerWaalsContact O-CG 3.28Å; K849-L853 WeakPolarHBondContact O-CG 3.34Å; K849-L853 PolarHBondContact O-N 3.16Å; K849-L853 VanDerWaalsContact O-N 3.08Å
850	A	90.2	Very high	89.3	Confident	0 Å²	0	59 Å²	59	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-65.7	-52.8	179.3	0	0	0	0	0	112	I831 G846 F847 K852 L853 E854 F899	I831-A850 HydrophobicContact CG1-CB 4.03Å; G846-A850 WeakPolarHBondContact O-CB 3.35Å; G846-A850 PolarHBondContact O-N 2.9Å; F847-A850 PolarHBondContact O-N 2.96Å; A850-K852 VanDerWaalsContact C-N 3.26Å; A850-K852 PolarHBondContact O-N 2.73Å; A850-L853 WeakPolarHBondContact O-CA 3.35Å; A850-L853 WeakPolarHBondContact O-CB 3.44Å; A850-L853 PolarHBondContact O-N 2.67Å; A850-E854 PolarHBondContact O-N 3.37Å; A850-F899 HydrophobicContact CB-CE1 3.73Å; A850-F899 HydrophobicContact CB-CZ 4.19Å
851	I	90.7	Very high	89.4	Confident	20 Å²	20	50.9 Å²	50.9	10%	0.103	26%	0.263	C	S	.	.	H	α-helix	trans	-60.5	-35.5	-179.5	-165	169.8	0	0	0	112.3	F847 E854 Y855 L895 F899	F847-I851 HydrophobicContact CE1-CG2 4.38Å; F847-I851 HydrophobicContact CE2-CB 4.13Å; F847-I851 HydrophobicContact CE2-CD1 4.02Å; F847-I851 HydrophobicContact CE2-CG2 4.38Å; F847-I851 HydrophobicContact CZ-CB 4.27Å; F847-I851 HydrophobicContact CZ-CD1 3.72Å; F847-I851 HydrophobicContact CZ-CG2 4.13Å; F847-I851 WeakPolarHBondContact O-CG2 3.46Å; F847-I851 PolarHBondContact O-N 3.48Å; I851-E854 PolarHBondContact O-N 2.85Å; I851-Y855 WeakPolarHBondContact O-CB 3.49Å; I851-Y855 PolarHBondContact O-N 3.5Å; I851-L895 HydrophobicContact CD1-CB 4.02Å; I851-L895 HydrophobicContact CG1-CB 4.32Å; I851-F899 HydrophobicContact CB-CE2 4.21Å; I851-F899 HydrophobicContact CB-CZ 4.27Å; I851-F899 HydrophobicContact CG1-CD2 4.28Å; I851-F899 HydrophobicContact CG1-CE2 4.12Å
852	K	87.6	Confident	89.5	Confident	143 Å²	143	48.1 Å²	48.1	62%	0.622	25%	0.245	S	C	*	.	H	α-helix	trans	-71.4	-31	174.1	-71.9	179.8	-175.5	175	0	113.6	F848 A850 A856	F848-K852 WeakPolarHBondContact O-CB 3.32Å; F848-K852 VanDerWaalsContact O-CD 3.3Å; F848-K852 WeakPolarHBondContact O-CD 3.49Å; F848-K852 VanDerWaalsContact O-CG 3.24Å; F848-K852 WeakPolarHBondContact O-CG 3.37Å; A850-K852 VanDerWaalsContact C-N 3.26Å; A850-K852 PolarHBondContact O-N 2.73Å; K852-A856 WeakPolarHBondContact O-CB 3.21Å; K852-A856 PolarHBondContact O-N 3.17Å
853	L	89.9	Confident	89.6	Confident	52 Å²	52	53.9 Å²	53.9	27%	0.272	27%	0.265	S	S	.	.	H	α-helix	trans	-71.9	-39.4	172.8	-77.1	170.7	0	0	0	111.1	A830 K833 K849 A850 A856 R857	A830-L853 HydrophobicContact CB-CB 4.28Å; K833-L853 HydrophobicContact CB-CD1 3.74Å; K849-L853 HydrophobicContact CD-CD1 4.3Å; K849-L853 HydrophobicContact CD-CG 4.31Å; K849-L853 HydrophobicContact CG-CD1 4.17Å; K849-L853 VanDerWaalsContact O-CG 3.28Å; K849-L853 WeakPolarHBondContact O-CG 3.34Å; K849-L853 PolarHBondContact O-N 3.16Å; K849-L853 VanDerWaalsContact O-N 3.08Å; A850-L853 WeakPolarHBondContact O-CA 3.35Å; A850-L853 WeakPolarHBondContact O-CB 3.44Å; A850-L853 PolarHBondContact O-N 2.67Å; L853-A856 PolarHBondContact O-N 2.79Å; L853-R857 PolarHBondContact O-N 3.35Å
854	E	91.9	Very high	89.5	Confident	2 Å²	2	56 Å²	56	1%	0.009	27%	0.27	C	S	.	.	H	α-helix	trans	-74.5	-45.3	-178.3	-175.8	53.9	-168.6	0	0	112.2	I827 A830 A850 I851 A856 R857 L858 F899	I827-E854 HydrophobicContact CG1-CG 4.34Å; A830-E854 HydrophobicContact CB-CB 3.75Å; A850-E854 PolarHBondContact O-N 3.37Å; I851-E854 PolarHBondContact O-N 2.85Å; E854-A856 VanDerWaalsContact C-N 3.26Å; E854-A856 PolarHBondContact O-N 2.81Å; E854-R857 WeakPolarHBondContact O-CA 3.46Å; E854-R857 WeakPolarHBondContact O-CB 3.5Å; E854-R857 PolarHBondContact O-N 2.58Å; E854-R857 IonicContact OE1-CZ 2.95Å; E854-R857 IonicContact OE1-NE 3.65Å; E854-R857 PolarHBondContact OE1-NE 2.57Å; E854-R857 IonicContact OE1-NH2 3.93Å; E854-R857 PolarHBondContact OE1-NH2 2.64Å; E854-R857 IonicContact OE2-CZ 3.89Å; E854-R857 IonicContact OE2-NE 2.61Å; E854-R857 PolarHBondContact OE2-NE 2.86Å; E854-R857 IonicContact OE2-NH2 3.94Å; E854-L858 HydrophobicContact CG-CD1 3.91Å; E854-L858 WeakPolarHBondContact O-CG 3.43Å; E854-L858 PolarHBondContact O-N 2.77Å; E854-F899 HydrophobicContact CB-CE2 4.02Å; E854-F899 HydrophobicContact CB-CZ 3.98Å; E854-F899 HydrophobicContact CG-CE2 4.1Å; E854-F899 HydrophobicContact CG-CZ 4.39Å
855	Y	92.1	Very high	89.1	Confident	87 Å²	87	59.7 Å²	59.7	34%	0.341	29%	0.293	S	S	.	.	H	α-helix	trans	-56.9	-40.6	170.7	-179.5	-116.2	0	0	0	111.7	I851 R857 L858 V859 I882 I891 L895	I851-Y855 WeakPolarHBondContact O-CB 3.49Å; I851-Y855 PolarHBondContact O-N 3.5Å; Y855-R857 VanDerWaalsContact C-N 3.27Å; Y855-R857 PolarHBondContact O-N 3.2Å; Y855-L858 PolarHBondContact O-N 2.66Å; Y855-V859 HydrophobicContact CD1-CG2 4.29Å; Y855-V859 HydrophobicContact CD2-CG2 4.08Å; Y855-V859 HydrophobicContact CE1-CG2 3.92Å; Y855-V859 HydrophobicContact CE2-CG2 3.68Å; Y855-V859 HydrophobicContact CG-CG2 4.37Å; Y855-V859 WeakPolarHBondContact O-CB 3.16Å; Y855-V859 VanDerWaalsContact O-CG2 3.28Å; Y855-V859 WeakPolarHBondContact O-CG2 3.43Å; Y855-V859 PolarHBondContact O-N 2.87Å; Y855-I882 HydrophobicContact CD2-CD1 4.44Å; Y855-I882 HydrophobicContact CE2-CD1 4.02Å; Y855-I882 HydrophobicContact CE2-CG1 4.4Å; Y855-I891 HydrophobicContact CD2-CG2 4.28Å; Y855-I891 HydrophobicContact CE2-CG2 3.95Å; Y855-L895 HydrophobicContact CD2-CD1 3.9Å; Y855-L895 HydrophobicContact CG-CD1 4.35Å
856	A	89.9	Confident	88.8	Confident	52 Å²	52	60.9 Å²	60.9	43%	0.43	30%	0.297	S	S	.	.	H	α-helix	trans	-70.9	-16.8	175.2	0	0	0	0	0	114.4	K852 L853 E854 K860	K852-A856 WeakPolarHBondContact O-CB 3.21Å; K852-A856 PolarHBondContact O-N 3.17Å; L853-A856 PolarHBondContact O-N 2.79Å; E854-A856 VanDerWaalsContact C-N 3.26Å; E854-A856 PolarHBondContact O-N 2.81Å; A856-K860 WeakPolarHBondContact O-CG 3.25Å
857	R	93.3	Very high	88.4	Confident	58 Å²	58	63.7 Å²	63.7	22%	0.219	32%	0.315	C	S	.	.	H	α-helix	trans	-79.7	-48.2	168.7	-171.2	-173.7	71.6	81	11.7	110	L853 E854 Y855 V859 K860 L861 H876	L853-R857 PolarHBondContact O-N 3.35Å; E854-R857 WeakPolarHBondContact O-CA 3.46Å; E854-R857 WeakPolarHBondContact O-CB 3.5Å; E854-R857 PolarHBondContact O-N 2.58Å; E854-R857 IonicContact OE1-CZ 2.95Å; E854-R857 IonicContact OE1-NE 3.65Å; E854-R857 PolarHBondContact OE1-NE 2.57Å; E854-R857 IonicContact OE1-NH2 3.93Å; E854-R857 PolarHBondContact OE1-NH2 2.64Å; E854-R857 IonicContact OE2-CZ 3.89Å; E854-R857 IonicContact OE2-NE 2.61Å; E854-R857 PolarHBondContact OE2-NE 2.86Å; E854-R857 IonicContact OE2-NH2 3.94Å; Y855-R857 VanDerWaalsContact C-N 3.27Å; Y855-R857 PolarHBondContact O-N 3.2Å; R857-V859 PolarHBondContact O-N 2.72Å; R857-K860 WeakPolarHBondContact O-CB 3.2Å; R857-K860 PolarHBondContact O-N 3.27Å; R857-K860 VanDerWaalsContact O-N 3.09Å; R857-L861 VanDerWaalsContact NH1-CD1 3.33Å; R857-L861 PolarHBondContact O-N 2.95Å; R857-L861 VanDerWaalsContact O-N 3.09Å; R857-H876 PolarHBondContact NH1-NE2 3.01Å; R857-H876 PolarHBondContact NH2-CE1 3.18Å; R857-H876 PolarHBondContact NH2-NE2 2.77Å
858	L	92.4	Very high	87.5	Confident	0 Å²	0	67.6 Å²	67.6	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-64.4	-39.7	-179	-65.8	161.9	0	0	0	112.2	E854 Y855 K860 L861 A862 H876 V878 V879 I882 L895	E854-L858 HydrophobicContact CG-CD1 3.91Å; E854-L858 WeakPolarHBondContact O-CG 3.43Å; E854-L858 PolarHBondContact O-N 2.77Å; Y855-L858 PolarHBondContact O-N 2.66Å; L858-K860 VanDerWaalsContact C-N 3.26Å; L858-K860 PolarHBondContact O-N 3.1Å; L858-L861 PolarHBondContact O-N 2.94Å; L858-A862 WeakPolarHBondContact O-CB 3.42Å; L858-A862 PolarHBondContact O-N 3.28Å; L858-H876 HydrophobicContact CD2-CB 3.76Å; L858-H876 VanDerWaalsContact CD2-CG 3.46Å; L858-V878 HydrophobicContact CB-CG1 4.19Å; L858-V878 HydrophobicContact CD1-CB 4.02Å; L858-V878 HydrophobicContact CD1-CG1 3.84Å; L858-V879 HydrophobicContact CB-CG2 4.44Å; L858-V879 HydrophobicContact CD2-CG2 4Å; L858-I882 HydrophobicContact CB-CD1 4.2Å; L858-L895 HydrophobicContact CD1-CD2 3.83Å
859	V	90.4	Very high	87.2	Confident	31 Å²	31	66.1 Å²	66.1	19%	0.188	34%	0.335	C	S	.	.	H	α-helix	trans	-61.3	-32.9	172.1	169.1	0	0	0	0	112.2	Y855 R857 Q863 I882	Y855-V859 HydrophobicContact CD1-CG2 4.29Å; Y855-V859 HydrophobicContact CD2-CG2 4.08Å; Y855-V859 HydrophobicContact CE1-CG2 3.92Å; Y855-V859 HydrophobicContact CE2-CG2 3.68Å; Y855-V859 HydrophobicContact CG-CG2 4.37Å; Y855-V859 WeakPolarHBondContact O-CB 3.16Å; Y855-V859 VanDerWaalsContact O-CG2 3.28Å; Y855-V859 WeakPolarHBondContact O-CG2 3.43Å; Y855-V859 PolarHBondContact O-N 2.87Å; R857-V859 PolarHBondContact O-N 2.72Å; V859-Q863 WeakPolarHBondContact O-CB 3.37Å; V859-Q863 WeakPolarHBondContact O-CG 3.47Å; V859-Q863 PolarHBondContact O-N 3Å; V859-I882 HydrophobicContact CG2-CD1 3.75Å
860	K	90.4	Very high	87	Confident	148 Å²	148	63.7 Å²	63.7	64%	0.643	33%	0.327	S	S	*	.	H	α-helix	trans	-72	-45.6	175.2	-75.1	-178.6	172.2	-159.3	0	112.2	A856 R857 L858 A862 Q863 E864	A856-K860 WeakPolarHBondContact O-CG 3.25Å; R857-K860 WeakPolarHBondContact O-CB 3.2Å; R857-K860 PolarHBondContact O-N 3.27Å; R857-K860 VanDerWaalsContact O-N 3.09Å; L858-K860 VanDerWaalsContact C-N 3.26Å; L858-K860 PolarHBondContact O-N 3.1Å; K860-A862 PolarHBondContact O-N 3.5Å; K860-Q863 CarbonylContact O-C 3.53Å; K860-Q863 WeakPolarHBondContact O-CA 3.25Å; K860-Q863 PolarHBondContact O-N 2.82Å; K860-E864 PolarHBondContact O-N 2.88Å; K860-E864 VanDerWaalsContact O-N 3.11Å
861	L	89.9	Confident	86.9	Confident	21 Å²	21	64.4 Å²	64.4	11%	0.11	33%	0.331	C	S	.	.	H	α-helix	trans	-60.7	-34.3	175.9	-63.6	-178.1	0	0	0	112	R857 L858 Q863 Y872 V879	R857-L861 VanDerWaalsContact NH1-CD1 3.33Å; R857-L861 PolarHBondContact O-N 2.95Å; R857-L861 VanDerWaalsContact O-N 3.09Å; L858-L861 PolarHBondContact O-N 2.94Å; L861-Q863 PolarHBondContact O-N 2.94Å; L861-Y872 HydrophobicContact CB-CD2 3.8Å; L861-Y872 HydrophobicContact CB-CE2 4.36Å; L861-Y872 HydrophobicContact CB-CG 4.07Å; L861-Y872 HydrophobicContact CD1-CD1 4.48Å; L861-Y872 HydrophobicContact CD1-CG 4.46Å; L861-Y872 HydrophobicContact CD2-CD1 4.44Å; L861-Y872 HydrophobicContact CD2-CD2 3.9Å; L861-Y872 HydrophobicContact CD2-CE1 4.21Å; L861-Y872 HydrophobicContact CD2-CE2 3.61Å; L861-Y872 HydrophobicContact CD2-CG 4.32Å; L861-Y872 HydrophobicContact CG-CD2 4.33Å; L861-Y872 WeakPolarHBondContact O-CD2 3.44Å; L861-V879 HydrophobicContact CB-CG2 3.98Å
862	A	89	Confident	86.9	Confident	13 Å²	13	66.1 Å²	66.1	11%	0.107	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70	-12.5	173.5	0	0	0	0	0	114.5	L858 K860 V879 I882 Q883	L858-A862 WeakPolarHBondContact O-CB 3.42Å; L858-A862 PolarHBondContact O-N 3.28Å; K860-A862 PolarHBondContact O-N 3.5Å; A862-V879 HydrophobicContact CB-CG1 4.05Å; A862-I882 HydrophobicContact CB-CB 3.87Å; A862-I882 HydrophobicContact CB-CG2 3.44Å; A862-I882 VanDerWaalsContact CB-CG2 3.44Å; A862-Q883 HydrophobicContact CB-CG 3.88Å; A862-Q883 PolarHBondContact O-NE2 3.1Å; A862-Q883 VanDerWaalsContact O-NE2 3.09Å
863	Q	88.6	Confident	87.1	Confident	148 Å²	148	60.6 Å²	60.6	69%	0.692	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.9	8.6	-177.6	-69.9	175.2	-11.3	0	0	112.6	V859 K860 L861	V859-Q863 WeakPolarHBondContact O-CB 3.37Å; V859-Q863 WeakPolarHBondContact O-CG 3.47Å; V859-Q863 PolarHBondContact O-N 3Å; K860-Q863 CarbonylContact O-C 3.53Å; K860-Q863 WeakPolarHBondContact O-CA 3.25Å; K860-Q863 PolarHBondContact O-N 2.82Å; L861-Q863 PolarHBondContact O-N 2.94Å
864	E	86.9	Confident	87.1	Confident	102 Å²	102	58.1 Å²	58.1	48%	0.477	30%	0.299	S	S	.	.	S	Bend	trans	-98.2	123.8	-178	-172.9	156.5	-149	0	0	109.1	K860 T866 Y872	K860-E864 PolarHBondContact O-N 2.88Å; K860-E864 VanDerWaalsContact O-N 3.11Å; E864-T866 PolarHBondContact O-N 3.14Å; E864-Y872 HydrophobicContact CB-CE2 4.42Å; E864-Y872 HydrophobicContact CG-CE2 4.41Å
865	D	77.8	Confident	86.9	Confident	168 Å²	168	60.1 Å²	60.1	90%	0.898	31%	0.308	S	S	*	.			trans	-68.8	97.2	174.7	-65.9	-45.3	0	0	0	108.7
866	T	78.3	Confident	86.7	Confident	56 Å²	56	56.1 Å²	56.1	34%	0.344	29%	0.293	S	S	.	.			trans	-81.2	149.9	-176.2	54.3	0	0	0	0	112.4	E864 T870 Y872	E864-T866 PolarHBondContact O-N 3.14Å; T866-T870 WeakPolarHBondContact CB-O 3.27Å; T866-T870 HydrophobicContact CG2-CG2 4.22Å; T866-T870 PolarHBondContact OG1-O 3.42Å; T866-Y872 HydrophobicContact CG2-CD2 3.43Å; T866-Y872 VanDerWaalsContact CG2-CD2 3.43Å; T866-Y872 HydrophobicContact CG2-CE2 3.35Å; T866-Y872 HydrophobicContact CG2-CG 4.31Å
867	P	78.4	Confident	86.8	Confident	59 Å²	59	54.3 Å²	54.3	38%	0.383	28%	0.276	S	S	.	.			trans	-70	156.4	168.8	33.4	-37.2	0	0	0	110.5	E869 T870	P867-E869 HydrophobicContact CB-CG 4.44Å; P867-E869 HydrophobicContact CG-CG 4.27Å; P867-E869 PolarHBondContact O-N 3.45Å; P867-T870 PolarHBondContact O-N 3.27Å
868	P	73.6	Confident	86.8	Confident	86 Å²	86	51.5 Å²	51.5	56%	0.558	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-27	-173.7	-27.6	36	0	0	0	115.2	T870 M1114	P868-T870 VanDerWaalsContact C-N 3.29Å; P868-T870 PolarHBondContact O-N 3.44Å; P868-M1114 HydrophobicContact CB-CE 4.18Å
869	E	81.4	Confident	86.9	Confident	54 Å²	54	51.5 Å²	51.5	25%	0.252	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-2.8	175	63.9	-94.9	-148.1	0	0	115.7	P867 A1111 M1114 L1115	P867-E869 HydrophobicContact CB-CG 4.44Å; P867-E869 HydrophobicContact CG-CG 4.27Å; P867-E869 PolarHBondContact O-N 3.45Å; E869-A1111 HydrophobicContact CB-CB 4.41Å; E869-A1111 VanDerWaalsContact O-CA 3.25Å; E869-A1111 WeakPolarHBondContact O-CA 3.21Å; E869-A1111 VanDerWaalsContact O-CB 3.22Å; E869-A1111 WeakPolarHBondContact O-CB 3.5Å; E869-M1114 HydrophobicContact CB-CB 4.27Å; E869-L1115 HydrophobicContact CB-CD1 4.45Å; E869-L1115 HydrophobicContact CB-CD2 3.92Å; E869-L1115 HydrophobicContact CB-CG 3.65Å; E869-L1115 HydrophobicContact CG-CD2 3.79Å; E869-L1115 HydrophobicContact CG-CG 3.99Å
870	T	84.4	Confident	87	Confident	37 Å²	37	50 Å²	50	23%	0.227	26%	0.257	C	S	.	.			trans	-130.9	115	-177.4	-60.2	0	0	0	0	111.5	T866 P867 P868 Y872	T866-T870 WeakPolarHBondContact CB-O 3.27Å; T866-T870 HydrophobicContact CG2-CG2 4.22Å; T866-T870 PolarHBondContact OG1-O 3.42Å; P867-T870 PolarHBondContact O-N 3.27Å; P868-T870 VanDerWaalsContact C-N 3.29Å; P868-T870 PolarHBondContact O-N 3.44Å; T870-Y872 HydrophobicContact CG2-CD1 4.09Å; T870-Y872 HydrophobicContact CG2-CE1 3.67Å
871	D	88.9	Confident	87.2	Confident	16 Å²	16	43 Å²	43	9%	0.086	23%	0.226	C	C	.	.			trans	-118.3	110	170.5	-172.3	-14.8	0	0	0	110.7	R873 L874 H875 H989 F1110	D871-R873 PolarHBondContact O-N 3.44Å; D871-R873 WeakPolarHBondContact OD1-CA 3.38Å; D871-R873 WeakPolarHBondContact OD1-CB 3.26Å; D871-R873 WeakPolarHBondContact OD1-CG 3.17Å; D871-R873 PolarHBondContact OD1-N 3.02Å; D871-R873 IonicContact OD1-NE 2.69Å; D871-R873 PolarHBondContact OD1-NE 2.84Å; D871-R873 VanDerWaalsContact OD1-NE 3.1Å; D871-R873 IonicContact OD2-CZ 3.75Å; D871-R873 VanDerWaalsContact OD2-CZ 3.22Å; D871-R873 IonicContact OD2-NE 2.95Å; D871-R873 PolarHBondContact OD2-NE 3.28Å; D871-R873 IonicContact OD2-NH2 2.65Å; D871-R873 PolarHBondContact OD2-NH2 2.72Å; D871-L874 HydrophobicContact CB-CD1 4.06Å; D871-L874 HydrophobicContact CB-CG 4.11Å; D871-L874 PolarHBondContact O-N 2.88Å; D871-H875 PolarHBondContact O-ND1 2.91Å; D871-H989 IonicContact OD2-CE1 3.94Å; D871-F1110 HydrophobicContact CB-CE1 3.94Å; D871-F1110 HydrophobicContact CB-CZ 4.37Å
872	Y	89.4	Confident	87.3	Confident	56 Å²	56	43.6 Å²	43.6	22%	0.22	23%	0.229	C	C	.	.	H	α-helix	trans	-70.7	-13.6	178.6	-67.6	-44.8	0	0	0	114	L861 E864 T866 T870 L874 H875 H876	L861-Y872 HydrophobicContact CB-CD2 3.8Å; L861-Y872 HydrophobicContact CB-CE2 4.36Å; L861-Y872 HydrophobicContact CB-CG 4.07Å; L861-Y872 HydrophobicContact CD1-CD1 4.48Å; L861-Y872 HydrophobicContact CD1-CG 4.46Å; L861-Y872 HydrophobicContact CD2-CD1 4.44Å; L861-Y872 HydrophobicContact CD2-CD2 3.9Å; L861-Y872 HydrophobicContact CD2-CE1 4.21Å; L861-Y872 HydrophobicContact CD2-CE2 3.61Å; L861-Y872 HydrophobicContact CD2-CG 4.32Å; L861-Y872 HydrophobicContact CG-CD2 4.33Å; L861-Y872 WeakPolarHBondContact O-CD2 3.44Å; E864-Y872 HydrophobicContact CB-CE2 4.42Å; E864-Y872 HydrophobicContact CG-CE2 4.41Å; T866-Y872 HydrophobicContact CG2-CD2 3.43Å; T866-Y872 VanDerWaalsContact CG2-CD2 3.43Å; T866-Y872 HydrophobicContact CG2-CE2 3.35Å; T866-Y872 HydrophobicContact CG2-CG 4.31Å; T870-Y872 HydrophobicContact CG2-CD1 4.09Å; T870-Y872 HydrophobicContact CG2-CE1 3.67Å; Y872-L874 VanDerWaalsContact C-N 3.31Å; Y872-H875 PolarHBondContact O-N 3.13Å; Y872-H876 PolarHBondContact O-N 3.26Å
873	R	91.9	Very high	87.5	Confident	26 Å²	26	45.5 Å²	45.5	10%	0.098	24%	0.236	C	C	.	.	H	α-helix	trans	-63.4	-38.9	170.6	-57.4	176.2	-63.1	173.6	3.1	110.9	D871 H875 H876 V879 Y880 Q883 Y941 F944 Y986 G988	D871-R873 PolarHBondContact O-N 3.44Å; D871-R873 WeakPolarHBondContact OD1-CA 3.38Å; D871-R873 WeakPolarHBondContact OD1-CB 3.26Å; D871-R873 WeakPolarHBondContact OD1-CG 3.17Å; D871-R873 PolarHBondContact OD1-N 3.02Å; D871-R873 IonicContact OD1-NE 2.69Å; D871-R873 PolarHBondContact OD1-NE 2.84Å; D871-R873 VanDerWaalsContact OD1-NE 3.1Å; D871-R873 IonicContact OD2-CZ 3.75Å; D871-R873 VanDerWaalsContact OD2-CZ 3.22Å; D871-R873 IonicContact OD2-NE 2.95Å; D871-R873 PolarHBondContact OD2-NE 3.28Å; D871-R873 IonicContact OD2-NH2 2.65Å; D871-R873 PolarHBondContact OD2-NH2 2.72Å; R873-H875 VanDerWaalsContact C-N 3.31Å; R873-H875 PolarHBondContact O-N 2.76Å; R873-H876 CarbonylContact O-C 3.54Å; R873-H876 PolarHBondContact O-N 3.43Å; R873-V879 HydrophobicContact CG-CG1 4.31Å; R873-Y880 HydrophobicContact CB-CD2 4.21Å; R873-Y880 HydrophobicContact CG-CD2 4.39Å; R873-Q883 VanDerWaalsContact CD-OE1 3.25Å; R873-Y941 WeakPolarHBondContact O-CE2 3.34Å; R873-Y941 PolarHBondContact O-OH 3.04Å; R873-F944 HydrophobicContact CB-CE1 3.55Å; R873-F944 HydrophobicContact CB-CZ 3.79Å; R873-Y986 PolarHBondContact NH1-O 3.46Å; R873-G988 PolarHBondContact NH1-O 2.95Å; R873-G988 PolarHBondContact NH2-O 3.24Å
874	L	90.2	Very high	87.6	Confident	1 Å²	1	39.4 Å²	39.4	1%	0.005	21%	0.208	C	C	.	.	H	α-helix	trans	-66.8	-33.3	175.9	-58	176.9	0	0	0	112.6	D871 Y872 F944 T948 T1103 F1110	D871-L874 HydrophobicContact CB-CD1 4.06Å; D871-L874 HydrophobicContact CB-CG 4.11Å; D871-L874 PolarHBondContact O-N 2.88Å; Y872-L874 VanDerWaalsContact C-N 3.31Å; L874-F944 HydrophobicContact CD2-CD1 4.43Å; L874-F944 HydrophobicContact CD2-CE1 3.6Å; L874-F944 HydrophobicContact CD2-CZ 3.9Å; L874-F944 HydrophobicContact CG-CE1 4.34Å; L874-F944 HydrophobicContact CG-CZ 4.46Å; L874-T948 HydrophobicContact CD1-CG2 3.83Å; L874-T948 HydrophobicContact CD2-CG2 3.67Å; L874-T948 WeakPolarHBondContact CD2-OG1 3.23Å; L874-T948 HydrophobicContact CG-CG2 4.41Å; L874-T1103 WeakPolarHBondContact O-CG2 3.39Å; L874-F1110 HydrophobicContact CD1-CB 3.93Å; L874-F1110 HydrophobicContact CD1-CD1 3.91Å; L874-F1110 HydrophobicContact CD1-CD2 3.89Å; L874-F1110 HydrophobicContact CD1-CE1 4.4Å; L874-F1110 HydrophobicContact CD1-CE2 4.38Å; L874-F1110 HydrophobicContact CD1-CG 3.61Å
875	H	86.9	Confident	87.8	Confident	43 Å²	43	42.7 Å²	42.7	20%	0.199	22%	0.223	C	C	.	.	H	α-helix	trans	-74.5	-36	178.5	-65	73	0	0	0	111.7	P822 N823 D871 Y872 R873	P822-H875 HydrophobicContact CB-CB 4.13Å; P822-H875 HydrophobicContact CG-CB 4.35Å; N823-H875 PolarHBondContact ND2-O 2.9Å; N823-H875 PolarHBondContact OD1-O 2.78Å; D871-H875 PolarHBondContact O-ND1 2.91Å; Y872-H875 PolarHBondContact O-N 3.13Å; R873-H875 VanDerWaalsContact C-N 3.31Å; R873-H875 PolarHBondContact O-N 2.76Å
876	H	89.1	Confident	88.4	Confident	4 Å²	4	35 Å²	35	2%	0.019	18%	0.182	C	C	.	.			trans	-144.7	112.9	-167	-64.7	-56.9	0	0	0	113.1	P822 N823 R857 L858 Y872 R873 V878 V879 Y880	P822-H876 VanDerWaalsContact C-CE1 3.42Å; P822-H876 PolarHBondContact O-CE1 3.32Å; N823-H876 PolarHBondContact OD1-ND1 3.27Å; R857-H876 PolarHBondContact NH1-NE2 3.01Å; R857-H876 PolarHBondContact NH2-CE1 3.18Å; R857-H876 PolarHBondContact NH2-NE2 2.77Å; L858-H876 HydrophobicContact CD2-CB 3.76Å; L858-H876 VanDerWaalsContact CD2-CG 3.46Å; Y872-H876 PolarHBondContact O-N 3.26Å; R873-H876 CarbonylContact O-C 3.54Å; R873-H876 PolarHBondContact O-N 3.43Å; H876-V878 PolarHBondContact O-N 3.08Å; H876-V878 VanDerWaalsContact O-N 3.16Å; H876-V879 HydrophobicContact CB-CB 3.97Å; H876-V879 HydrophobicContact CB-CG2 3.65Å; H876-V879 WeakPolarHBondContact O-CB 3.39Å; H876-V879 PolarHBondContact O-N 2.84Å; H876-Y880 PolarHBondContact O-N 3.05Å
877	V	92.6	Very high	88.9	Confident	13 Å²	13	34.7 Å²	34.7	8%	0.079	18%	0.181	C	C	.	.	H	α-helix	trans	-53.6	-36.2	171.8	61.5	0	0	0	0	112.8	V879 Y880 F881 T894 Y941	V877-V879 VanDerWaalsContact C-N 3.31Å; V877-V879 PolarHBondContact O-N 3.29Å; V877-Y880 WeakPolarHBondContact O-CB 3.4Å; V877-Y880 PolarHBondContact O-N 2.88Å; V877-F881 HydrophobicContact CG2-CD2 4.22Å; V877-F881 HydrophobicContact CG2-CE1 3.96Å; V877-F881 HydrophobicContact CG2-CE2 3.67Å; V877-F881 HydrophobicContact CG2-CZ 3.52Å; V877-F881 WeakPolarHBondContact O-CG 3.5Å; V877-F881 PolarHBondContact O-N 2.71Å; V877-T894 HydrophobicContact CG1-CG2 3.91Å; V877-Y941 HydrophobicContact CB-CD1 3.88Å; V877-Y941 HydrophobicContact CB-CD2 4.42Å; V877-Y941 HydrophobicContact CB-CE1 3.56Å; V877-Y941 HydrophobicContact CB-CE2 4.14Å; V877-Y941 HydrophobicContact CB-CG 4.29Å; V877-Y941 HydrophobicContact CG2-CD1 3.49Å; V877-Y941 VanDerWaalsContact CG2-CD1 3.49Å; V877-Y941 HydrophobicContact CG2-CD2 4.12Å; V877-Y941 HydrophobicContact CG2-CE1 3.75Å; V877-Y941 HydrophobicContact CG2-CE2 4.34Å; V877-Y941 HydrophobicContact CG2-CG 3.68Å
878	V	92.9	Very high	89.3	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-69.2	-27.6	177.9	176.1	0	0	0	0	112.3	L858 H876 I882 I891 T894 L895	L858-V878 HydrophobicContact CB-CG1 4.19Å; L858-V878 HydrophobicContact CD1-CB 4.02Å; L858-V878 HydrophobicContact CD1-CG1 3.84Å; H876-V878 PolarHBondContact O-N 3.08Å; H876-V878 VanDerWaalsContact O-N 3.16Å; V878-I882 HydrophobicContact CG1-CD1 3.75Å; V878-I882 HydrophobicContact CG1-CG1 4.3Å; V878-I882 WeakPolarHBondContact O-CB 3.34Å; V878-I882 WeakPolarHBondContact O-CD1 3.41Å; V878-I882 WeakPolarHBondContact O-CG1 3.25Å; V878-I882 PolarHBondContact O-N 3.4Å; V878-I891 HydrophobicContact CG1-CG2 3.87Å; V878-T894 HydrophobicContact CG2-CG2 4.21Å; V878-L895 HydrophobicContact CG1-CD2 4.48Å; V878-L895 HydrophobicContact CG2-CD2 4.02Å; V878-L895 HydrophobicContact CG2-CG 4.11Å
879	V	93.1	Very high	89.9	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-70.2	-45	172.6	170.2	0	0	0	0	110.3	L858 L861 A862 R873 H876 V877 F881 I882 Q883	L858-V879 HydrophobicContact CB-CG2 4.44Å; L858-V879 HydrophobicContact CD2-CG2 4Å; L861-V879 HydrophobicContact CB-CG2 3.98Å; A862-V879 HydrophobicContact CB-CG1 4.05Å; R873-V879 HydrophobicContact CG-CG1 4.31Å; H876-V879 HydrophobicContact CB-CB 3.97Å; H876-V879 HydrophobicContact CB-CG2 3.65Å; H876-V879 WeakPolarHBondContact O-CB 3.39Å; H876-V879 PolarHBondContact O-N 2.84Å; V877-V879 VanDerWaalsContact C-N 3.31Å; V877-V879 PolarHBondContact O-N 3.29Å; V879-F881 VanDerWaalsContact C-N 3.29Å; V879-F881 PolarHBondContact O-N 2.87Å; V879-I882 PolarHBondContact O-N 2.91Å; V879-Q883 HydrophobicContact CG1-CG 4.49Å; V879-Q883 PolarHBondContact O-N 2.99Å
880	Y	93.8	Very high	90.2	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-55	-44.1	172.5	179.3	-94.5	0	0	0	111.7	R873 H876 V877 N884 Y941 F944 R987	R873-Y880 HydrophobicContact CB-CD2 4.21Å; R873-Y880 HydrophobicContact CG-CD2 4.39Å; H876-Y880 PolarHBondContact O-N 3.05Å; V877-Y880 WeakPolarHBondContact O-CB 3.4Å; V877-Y880 PolarHBondContact O-N 2.88Å; Y880-N884 WeakPolarHBondContact O-CB 3.14Å; Y880-N884 PolarHBondContact O-N 3.37Å; Y880-N884 VanDerWaalsContact O-N 3.12Å; Y880-N884 PolarHBondContact O-ND2 2.81Å; Y880-Y941 AromaticContact CD1-CD2 3.69Å; Y880-Y941 HydrophobicContact CD1-CD2 3.69Å; Y880-Y941 HydrophobicContact CD1-CG 4.28Å; Y880-Y941 HydrophobicContact CD2-CD2 4.16Å; Y880-Y941 HydrophobicContact CE1-CD2 4.29Å; Y880-Y941 AromaticContact CG-CD2 3.64Å; Y880-Y941 HydrophobicContact CG-CD2 3.64Å; Y880-Y941 HydrophobicContact CG-CE2 4.26Å; Y880-F944 AromaticContact CD2-CD1 3.76Å; Y880-F944 HydrophobicContact CD2-CD1 3.76Å; Y880-F944 HydrophobicContact CD2-CE1 4.09Å; Y880-F944 HydrophobicContact CD2-CG 4.01Å; Y880-F944 HydrophobicContact CE2-CB 3.76Å; Y880-F944 AromaticContact CE2-CD1 3.84Å; Y880-F944 HydrophobicContact CE2-CD1 3.84Å; Y880-F944 HydrophobicContact CE2-CD2 4.05Å; Y880-F944 HydrophobicContact CE2-CE1 4.48Å; Y880-F944 AromaticContact CE2-CG 3.59Å; Y880-F944 HydrophobicContact CE2-CG 3.59Å; Y880-R987 HydrophobicContact CE2-CB 4.47Å; Y880-R987 WeakPolarHBondContact OH-CB 3.46Å
881	F	94.4	Very high	90.5	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-67.1	-39.4	175.8	-68.9	-14.1	0	0	0	113.9	V877 V879 Q885 T886 I890 I891 T894 W937 H938	V877-F881 HydrophobicContact CG2-CD2 4.22Å; V877-F881 HydrophobicContact CG2-CE1 3.96Å; V877-F881 HydrophobicContact CG2-CE2 3.67Å; V877-F881 HydrophobicContact CG2-CZ 3.52Å; V877-F881 WeakPolarHBondContact O-CG 3.5Å; V877-F881 PolarHBondContact O-N 2.71Å; V879-F881 VanDerWaalsContact C-N 3.29Å; V879-F881 PolarHBondContact O-N 2.87Å; F881-Q885 PolarHBondContact O-N 2.8Å; F881-Q885 VanDerWaalsContact O-N 3.17Å; F881-T886 VanDerWaalsContact CA-OG1 3.23Å; F881-T886 WeakPolarHBondContact CA-OG1 3.39Å; F881-T886 HydrophobicContact CB-CG2 4.09Å; F881-T886 WeakPolarHBondContact CB-OG1 3.44Å; F881-T886 HydrophobicContact CD1-CG2 4.31Å; F881-T886 HydrophobicContact CD2-CG2 4.4Å; F881-T886 HydrophobicContact CG-CG2 4.03Å; F881-T886 WeakPolarHBondContact O-CB 3.43Å; F881-T886 PolarHBondContact O-N 3.17Å; F881-T886 PolarHBondContact O-OG1 3.32Å; F881-T886 VanDerWaalsContact O-OG1 3.06Å; F881-I890 HydrophobicContact CE2-CG2 4.27Å; F881-I891 HydrophobicContact CB-CD1 4.23Å; F881-I891 HydrophobicContact CB-CG1 3.87Å; F881-I891 HydrophobicContact CD2-CG1 4.36Å; F881-T894 HydrophobicContact CE2-CG2 4.21Å; F881-W937 HydrophobicContact CD1-CE3 4.03Å; F881-W937 HydrophobicContact CE1-CB 3.86Å; F881-W937 HydrophobicContact CE1-CE3 4.21Å; F881-W937 WeakPolarHBondContact CE1-O 3.43Å; F881-W937 HydrophobicContact CZ-CB 4.07Å; F881-H938 AromaticContact CE2-CE1 3.59Å; F881-H938 AromaticContact CE2-NE2 3.65Å; F881-H938 AromaticContact CZ-CE1 3.54Å; F881-H938 AromaticContact CZ-ND1 3.86Å; F881-H938 AromaticContact CZ-NE2 3.64Å
882	I	92.6	Very high	90.5	Very high	34 Å²	34	42.1 Å²	42.1	17%	0.174	20%	0.197	C	C	.	.	H	α-helix	trans	-66.2	-44.5	178.3	-71	161.7	0	0	0	110.8	Y855 L858 V859 A862 V878 V879 N884 Q885 I891	Y855-I882 HydrophobicContact CD2-CD1 4.44Å; Y855-I882 HydrophobicContact CE2-CD1 4.02Å; Y855-I882 HydrophobicContact CE2-CG1 4.4Å; L858-I882 HydrophobicContact CB-CD1 4.2Å; V859-I882 HydrophobicContact CG2-CD1 3.75Å; A862-I882 HydrophobicContact CB-CB 3.87Å; A862-I882 HydrophobicContact CB-CG2 3.44Å; A862-I882 VanDerWaalsContact CB-CG2 3.44Å; V878-I882 HydrophobicContact CG1-CD1 3.75Å; V878-I882 HydrophobicContact CG1-CG1 4.3Å; V878-I882 WeakPolarHBondContact O-CB 3.34Å; V878-I882 WeakPolarHBondContact O-CD1 3.41Å; V878-I882 WeakPolarHBondContact O-CG1 3.25Å; V878-I882 PolarHBondContact O-N 3.4Å; V879-I882 PolarHBondContact O-N 2.91Å; I882-N884 VanDerWaalsContact C-N 3.33Å; I882-N884 PolarHBondContact O-N 2.98Å; I882-Q885 PolarHBondContact O-N 2.94Å; I882-I891 HydrophobicContact CG1-CD1 4.15Å
883	Q	91.4	Very high	90.5	Very high	52 Å²	52	40.7 Å²	40.7	24%	0.243	19%	0.192	C	C	.	.	H	α-helix	trans	-68.1	-32.9	-179.8	-69.9	179.2	-34.9	0	0	112.3	A862 R873 V879 Q885	A862-Q883 HydrophobicContact CB-CG 3.88Å; A862-Q883 PolarHBondContact O-NE2 3.1Å; A862-Q883 VanDerWaalsContact O-NE2 3.09Å; R873-Q883 VanDerWaalsContact CD-OE1 3.25Å; V879-Q883 HydrophobicContact CG1-CG 4.49Å; V879-Q883 PolarHBondContact O-N 2.99Å; Q883-Q885 VanDerWaalsContact C-N 3.33Å; Q883-Q885 PolarHBondContact O-N 3.18Å
884	N	91.6	Very high	90.5	Very high	20 Å²	20	39.7 Å²	39.7	11%	0.107	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.7	12.4	175.9	-69.5	-70.4	0	0	0	114.6	Y880 I882 T886 W937 Y986 R987	Y880-N884 WeakPolarHBondContact O-CB 3.14Å; Y880-N884 PolarHBondContact O-N 3.37Å; Y880-N884 VanDerWaalsContact O-N 3.12Å; Y880-N884 PolarHBondContact O-ND2 2.81Å; I882-N884 VanDerWaalsContact C-N 3.33Å; I882-N884 PolarHBondContact O-N 2.98Å; N884-T886 PolarHBondContact O-N 2.68Å; N884-W937 HydrophobicContact CB-CH2 3.95Å; N884-W937 HydrophobicContact CB-CZ3 3.69Å; N884-W937 WeakPolarHBondContact O-CH2 3.33Å; N884-Y986 PolarHBondContact ND2-O 2.8Å; N884-Y986 WeakPolarHBondContact OD1-CA 3.33Å; N884-Y986 WeakPolarHBondContact OD1-CB 3.49Å; N884-Y986 PolarHBondContact OD1-O 3.18Å; N884-R987 HydrophobicContact CB-CG 4.36Å; N884-R987 WeakPolarHBondContact OD1-CG 3.32Å; N884-R987 PolarHBondContact OD1-N 2.9Å
885	Q	90.7	Very high	90.6	Very high	171 Å²	171	40 Å²	40	80%	0.799	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.2	27	173.5	-48.5	-176.3	31.4	0	0	115	F881 I882 Q883	F881-Q885 PolarHBondContact O-N 2.8Å; F881-Q885 VanDerWaalsContact O-N 3.17Å; I882-Q885 PolarHBondContact O-N 2.94Å; Q883-Q885 VanDerWaalsContact C-N 3.33Å; Q883-Q885 PolarHBondContact O-N 3.18Å
886	T	90.6	Very high	90.7	Very high	6 Å²	6	38.5 Å²	38.5	4%	0.037	18%	0.183	C	C	.	.			trans	-52.1	142.8	178.3	-55.4	0	0	0	0	112.3	F881 N884 K888 I890 I891 W937	F881-T886 VanDerWaalsContact CA-OG1 3.23Å; F881-T886 WeakPolarHBondContact CA-OG1 3.39Å; F881-T886 HydrophobicContact CB-CG2 4.09Å; F881-T886 WeakPolarHBondContact CB-OG1 3.44Å; F881-T886 HydrophobicContact CD1-CG2 4.31Å; F881-T886 HydrophobicContact CD2-CG2 4.4Å; F881-T886 HydrophobicContact CG-CG2 4.03Å; F881-T886 WeakPolarHBondContact O-CB 3.43Å; F881-T886 PolarHBondContact O-N 3.17Å; F881-T886 PolarHBondContact O-OG1 3.32Å; F881-T886 VanDerWaalsContact O-OG1 3.06Å; N884-T886 PolarHBondContact O-N 2.68Å; T886-K888 PolarHBondContact O-N 3.41Å; T886-I890 HydrophobicContact CG2-CB 3.92Å; T886-I890 HydrophobicContact CG2-CD1 4.45Å; T886-I890 HydrophobicContact CG2-CG2 3.7Å; T886-I891 HydrophobicContact CG2-CG1 4.32Å; T886-I891 WeakPolarHBondContact O-CD1 3.37Å; T886-W937 HydrophobicContact CG2-CD2 3.72Å; T886-W937 HydrophobicContact CG2-CE3 4.21Å; T886-W937 HydrophobicContact CG2-CG 3.91Å; T886-W937 HydrophobicContact CG2-CZ2 4.29Å; T886-W937 VanDerWaalsContact OG1-CH2 3.28Å; T886-W937 WeakPolarHBondContact OG1-CH2 3.47Å; T886-W937 WeakPolarHBondContact OG1-CZ3 3.37Å
887	P	89.5	Confident	90.8	Very high	50 Å²	50	42 Å²	42	33%	0.325	20%	0.2	S	C	.	.			trans	-52	133.5	178.3	-28.5	34	0	0	0	113.9	K889 I890 I891 E933	P887-K889 PolarHBondContact O-N 3.3Å; P887-I890 HydrophobicContact CB-CD1 4.4Å; P887-I890 HydrophobicContact CB-CG1 4.46Å; P887-I890 HydrophobicContact CG-CD1 4.26Å; P887-I890 WeakPolarHBondContact O-CB 3.41Å; P887-I890 PolarHBondContact O-N 2.83Å; P887-I891 PolarHBondContact O-N 2.88Å; P887-E933 VanDerWaalsContact CG-OE1 3.29Å; P887-E933 WeakPolarHBondContact CG-OE1 3.3Å
888	K	86.6	Confident	90.7	Very high	165 Å²	165	42.8 Å²	42.8	72%	0.717	20%	0.202	S	C	*	.	H	α-helix	trans	-54.1	-32	-175.7	-68.6	178.9	178.9	173.8	0	114.1	T886 I891 E892	T886-K888 PolarHBondContact O-N 3.41Å; K888-I891 PolarHBondContact O-N 3.36Å; K888-E892 WeakPolarHBondContact O-CB 3.46Å; K888-E892 PolarHBondContact O-N 3.14Å
889	K	86.3	Confident	90.6	Very high	117 Å²	117	42.8 Å²	42.8	51%	0.509	20%	0.202	S	C	.	.	H	α-helix	trans	-68.9	-34.7	177.7	-63.6	-168.8	179	176.3	0	113.4	P887 E892 K893 E928 V929	P887-K889 PolarHBondContact O-N 3.3Å; K889-E892 PolarHBondContact O-N 2.81Å; K889-K893 WeakPolarHBondContact O-CB 3.43Å; K889-K893 PolarHBondContact O-N 3.49Å; K889-E928 WeakPolarHBondContact CD-O 3.48Å; K889-E928 WeakPolarHBondContact CE-O 3.16Å; K889-E928 PolarHBondContact NZ-O 3.02Å; K889-V929 HydrophobicContact CB-CG2 4.2Å
890	I	88.3	Confident	90.3	Very high	2 Å²	2	43.3 Å²	43.3	1%	0.01	21%	0.208	C	C	.	.	H	α-helix	trans	-67.4	-47.2	174.9	-67.4	178.9	0	0	0	108.6	F881 T886 P887 E892 K893 T894 V929 E933 Y934 W937	F881-I890 HydrophobicContact CE2-CG2 4.27Å; T886-I890 HydrophobicContact CG2-CB 3.92Å; T886-I890 HydrophobicContact CG2-CD1 4.45Å; T886-I890 HydrophobicContact CG2-CG2 3.7Å; P887-I890 HydrophobicContact CB-CD1 4.4Å; P887-I890 HydrophobicContact CB-CG1 4.46Å; P887-I890 HydrophobicContact CG-CD1 4.26Å; P887-I890 WeakPolarHBondContact O-CB 3.41Å; P887-I890 PolarHBondContact O-N 2.83Å; I890-E892 VanDerWaalsContact C-N 3.32Å; I890-E892 PolarHBondContact O-N 3.28Å; I890-K893 PolarHBondContact O-N 3.08Å; I890-T894 PolarHBondContact O-N 3.39Å; I890-T894 PolarHBondContact O-OG1 2.8Å; I890-T894 VanDerWaalsContact O-OG1 3.08Å; I890-V929 HydrophobicContact CG1-CG1 4.25Å; I890-E933 HydrophobicContact CD1-CB 4.34Å; I890-E933 HydrophobicContact CD1-CG 3.75Å; I890-Y934 HydrophobicContact CB-CD2 4.33Å; I890-Y934 HydrophobicContact CG1-CD2 4.23Å; I890-Y934 HydrophobicContact CG2-CD2 3.8Å; I890-Y934 HydrophobicContact CG2-CE2 4.06Å; I890-W937 HydrophobicContact CD1-CG 4.48Å
891	I	89.8	Confident	89.9	Confident	8 Å²	8	45.6 Å²	45.6	4%	0.041	22%	0.22	C	C	.	.	H	α-helix	trans	-58.3	-42.3	174.2	-63.9	168.2	0	0	0	111.7	Y855 V878 F881 I882 T886 P887 K888 L895	Y855-I891 HydrophobicContact CD2-CG2 4.28Å; Y855-I891 HydrophobicContact CE2-CG2 3.95Å; V878-I891 HydrophobicContact CG1-CG2 3.87Å; F881-I891 HydrophobicContact CB-CD1 4.23Å; F881-I891 HydrophobicContact CB-CG1 3.87Å; F881-I891 HydrophobicContact CD2-CG1 4.36Å; I882-I891 HydrophobicContact CG1-CD1 4.15Å; T886-I891 HydrophobicContact CG2-CG1 4.32Å; T886-I891 WeakPolarHBondContact O-CD1 3.37Å; P887-I891 PolarHBondContact O-N 2.88Å; K888-I891 PolarHBondContact O-N 3.36Å; I891-L895 HydrophobicContact CG2-CD1 3.95Å; I891-L895 WeakPolarHBondContact O-CB 3.33Å; I891-L895 VanDerWaalsContact O-CG 3.31Å; I891-L895 WeakPolarHBondContact O-CG 3.5Å; I891-L895 PolarHBondContact O-N 3.19Å
892	E	88.8	Confident	89.4	Confident	117 Å²	117	55.2 Å²	55.2	55%	0.547	26%	0.256	S	S	.	.	H	α-helix	trans	-64.5	-43.1	177	-176.5	164.7	-152.9	0	0	112.2	K888 K889 I890 L895 L896	K888-E892 WeakPolarHBondContact O-CB 3.46Å; K888-E892 PolarHBondContact O-N 3.14Å; K889-E892 PolarHBondContact O-N 2.81Å; I890-E892 VanDerWaalsContact C-N 3.32Å; I890-E892 PolarHBondContact O-N 3.28Å; E892-L895 PolarHBondContact O-N 2.76Å; E892-L896 HydrophobicContact CG-CD1 4.28Å; E892-L896 WeakPolarHBondContact O-CB 3.37Å; E892-L896 WeakPolarHBondContact O-CG 3.09Å; E892-L896 PolarHBondContact O-N 2.73Å
893	K	89.9	Confident	88.8	Confident	26 Å²	26	54.6 Å²	54.6	11%	0.113	25%	0.253	C	S	.	.	H	α-helix	trans	-63.4	-47.8	174.5	-178.6	-178.8	165	-147.1	0	111.8	K889 I890 L895 L896 E897 L921 I924 V929 Y934	K889-K893 WeakPolarHBondContact O-CB 3.43Å; K889-K893 PolarHBondContact O-N 3.49Å; I890-K893 PolarHBondContact O-N 3.08Å; K893-L895 VanDerWaalsContact C-N 3.32Å; K893-L895 PolarHBondContact O-N 3.08Å; K893-L896 WeakPolarHBondContact O-CB 3.28Å; K893-L896 PolarHBondContact O-N 2.75Å; K893-L896 VanDerWaalsContact O-N 3.09Å; K893-E897 WeakPolarHBondContact CE-OE1 3.34Å; K893-E897 IonicContact NZ-OE1 3.8Å; K893-E897 PolarHBondContact O-N 3.37Å; K893-L921 HydrophobicContact CG-CD1 4.06Å; K893-I924 HydrophobicContact CB-CD1 4.24Å; K893-I924 HydrophobicContact CG-CD1 4.21Å; K893-V929 HydrophobicContact CD-CG1 4.17Å; K893-Y934 HydrophobicContact CB-CE2 3.98Å; K893-Y934 HydrophobicContact CD-CD2 3.72Å; K893-Y934 HydrophobicContact CD-CE1 4.45Å; K893-Y934 HydrophobicContact CD-CE2 3.49Å; K893-Y934 VanDerWaalsContact CD-CE2 3.49Å; K893-Y934 HydrophobicContact CD-CG 4.33Å; K893-Y934 HydrophobicContact CG-CD2 4.45Å; K893-Y934 HydrophobicContact CG-CE2 3.78Å; K893-Y934 VanDerWaalsContact NZ-CG 3.35Å
894	T	91.6	Very high	88.3	Confident	5 Å²	5	52.1 Å²	52.1	3%	0.031	24%	0.242	C	C	.	.	H	α-helix	trans	-62.8	-37.5	177.9	-55.9	0	0	0	0	111.9	V877 V878 F881 I890 E897 Q898 Y934 H938	V877-T894 HydrophobicContact CG1-CG2 3.91Å; V878-T894 HydrophobicContact CG2-CG2 4.21Å; F881-T894 HydrophobicContact CE2-CG2 4.21Å; I890-T894 PolarHBondContact O-N 3.39Å; I890-T894 PolarHBondContact O-OG1 2.8Å; I890-T894 VanDerWaalsContact O-OG1 3.08Å; T894-E897 PolarHBondContact O-N 2.71Å; T894-Q898 WeakPolarHBondContact O-CB 3.31Å; T894-Q898 WeakPolarHBondContact O-CG 3.39Å; T894-Q898 PolarHBondContact O-N 2.82Å; T894-Y934 WeakPolarHBondContact OG1-CE2 3.38Å; T894-Y934 PolarHBondContact OG1-OH 3.48Å; T894-Y934 VanDerWaalsContact OG1-OH 3.11Å; T894-H938 PolarHBondContact OG1-CE1 3.06Å; T894-H938 VanDerWaalsContact OG1-CE1 3.25Å; T894-H938 PolarHBondContact OG1-NE2 3.23Å
895	L	91.2	Very high	87.6	Confident	6 Å²	6	53.2 Å²	53.2	3%	0.031	25%	0.251	C	S	.	.	H	α-helix	trans	-67.1	-36.3	172.3	-76.4	168.8	0	0	0	112.5	I851 Y855 L858 V878 I891 E892 K893 Q898 F899	I851-L895 HydrophobicContact CD1-CB 4.02Å; I851-L895 HydrophobicContact CG1-CB 4.32Å; Y855-L895 HydrophobicContact CD2-CD1 3.9Å; Y855-L895 HydrophobicContact CG-CD1 4.35Å; L858-L895 HydrophobicContact CD1-CD2 3.83Å; V878-L895 HydrophobicContact CG1-CD2 4.48Å; V878-L895 HydrophobicContact CG2-CD2 4.02Å; V878-L895 HydrophobicContact CG2-CG 4.11Å; I891-L895 HydrophobicContact CG2-CD1 3.95Å; I891-L895 WeakPolarHBondContact O-CB 3.33Å; I891-L895 VanDerWaalsContact O-CG 3.31Å; I891-L895 WeakPolarHBondContact O-CG 3.5Å; I891-L895 PolarHBondContact O-N 3.19Å; E892-L895 PolarHBondContact O-N 2.76Å; K893-L895 VanDerWaalsContact C-N 3.32Å; K893-L895 PolarHBondContact O-N 3.08Å; L895-Q898 PolarHBondContact O-N 3.37Å; L895-F899 WeakPolarHBondContact O-CB 3.47Å; L895-F899 WeakPolarHBondContact O-CD2 3.41Å; L895-F899 PolarHBondContact O-N 3.2Å
896	L	90.4	Very high	86.9	Confident	13 Å²	13	46.2 Å²	46.2	7%	0.068	22%	0.218	C	C	.	.	H	α-helix	trans	-66.4	-40.5	174.3	-81	164.8	0	0	0	112.2	F847 E892 K893 G900 A917 K920 L921 I924	F847-L896 HydrophobicContact CE1-CD2 4.39Å; F847-L896 HydrophobicContact CE2-CD2 4.32Å; F847-L896 HydrophobicContact CZ-CD2 3.58Å; E892-L896 HydrophobicContact CG-CD1 4.28Å; E892-L896 WeakPolarHBondContact O-CB 3.37Å; E892-L896 WeakPolarHBondContact O-CG 3.09Å; E892-L896 PolarHBondContact O-N 2.73Å; K893-L896 WeakPolarHBondContact O-CB 3.28Å; K893-L896 PolarHBondContact O-N 2.75Å; K893-L896 VanDerWaalsContact O-N 3.09Å; L896-G900 PolarHBondContact O-N 2.79Å; L896-A917 HydrophobicContact CD2-CB 4.42Å; L896-K920 HydrophobicContact CD2-CB 3.72Å; L896-L921 HydrophobicContact CB-CD1 4Å; L896-I924 HydrophobicContact CD1-CD1 3.89Å
897	E	90.8	Very high	86.2	Confident	77 Å²	77	48.4 Å²	48.4	36%	0.36	23%	0.229	S	C	.	.	H	α-helix	trans	-62.3	-46.3	172.3	-73.5	175.6	-172.7	0	0	111.2	K893 T894 F899 G900 D901 L921 Y934	K893-E897 WeakPolarHBondContact CE-OE1 3.34Å; K893-E897 IonicContact NZ-OE1 3.8Å; K893-E897 PolarHBondContact O-N 3.37Å; T894-E897 PolarHBondContact O-N 2.71Å; E897-F899 PolarHBondContact O-N 2.89Å; E897-G900 CarbonylContact O-C 3.42Å; E897-G900 WeakPolarHBondContact O-CA 3.27Å; E897-G900 PolarHBondContact O-N 2.74Å; E897-D901 PolarHBondContact O-N 2.78Å; E897-L921 HydrophobicContact CG-CD1 3.85Å; E897-L921 HydrophobicContact CG-CD2 3.79Å; E897-Y934 PolarHBondContact OE1-OH 3.13Å; E897-Y934 PolarHBondContact OE2-OH 2.98Å
898	Q	90.7	Very high	85.7	Confident	30 Å²	30	53 Å²	53	14%	0.14	25%	0.246	C	C	.	.	H	α-helix	trans	-61.2	-43	176.1	-78.8	-172.1	-21.9	0	0	113.5	N823 I827 T894 L895 G900	N823-Q898 PolarHBondContact OD1-NE2 3.32Å; I827-Q898 HydrophobicContact CD1-CB 3.84Å; T894-Q898 WeakPolarHBondContact O-CB 3.31Å; T894-Q898 WeakPolarHBondContact O-CG 3.39Å; T894-Q898 PolarHBondContact O-N 2.82Å; L895-Q898 PolarHBondContact O-N 3.37Å; Q898-G900 VanDerWaalsContact C-N 3.25Å; Q898-G900 PolarHBondContact O-N 3.41Å
899	F	90.5	Very high	85.5	Confident	0 Å²	0	47 Å²	47	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-73.9	-16.3	174	-88.6	-98.9	0	0	0	112.9	I827 I831 F847 A850 I851 E854 L895 E897 L904 I913 M914 A917	I827-F899 HydrophobicContact CB-CZ 4.49Å; I827-F899 HydrophobicContact CG1-CD2 4.35Å; I827-F899 HydrophobicContact CG1-CE2 4.05Å; I827-F899 HydrophobicContact CG1-CZ 4.41Å; I827-F899 HydrophobicContact CG2-CD1 3.93Å; I827-F899 HydrophobicContact CG2-CD2 4.32Å; I827-F899 HydrophobicContact CG2-CE1 3.8Å; I827-F899 HydrophobicContact CG2-CE2 4.21Å; I827-F899 HydrophobicContact CG2-CG 4.19Å; I827-F899 HydrophobicContact CG2-CZ 3.95Å; I831-F899 HydrophobicContact CD1-CD1 4.42Å; I831-F899 HydrophobicContact CD1-CE1 4.24Å; I831-F899 HydrophobicContact CG1-CE1 4.01Å; F847-F899 HydrophobicContact CD2-CD1 4.2Å; F847-F899 HydrophobicContact CE2-CB 4.09Å; F847-F899 HydrophobicContact CE2-CD1 4.22Å; F847-F899 HydrophobicContact CE2-CG 4.2Å; A850-F899 HydrophobicContact CB-CE1 3.73Å; A850-F899 HydrophobicContact CB-CZ 4.19Å; I851-F899 HydrophobicContact CB-CE2 4.21Å; I851-F899 HydrophobicContact CB-CZ 4.27Å; I851-F899 HydrophobicContact CG1-CD2 4.28Å; I851-F899 HydrophobicContact CG1-CE2 4.12Å; E854-F899 HydrophobicContact CB-CE2 4.02Å; E854-F899 HydrophobicContact CB-CZ 3.98Å; E854-F899 HydrophobicContact CG-CE2 4.1Å; E854-F899 HydrophobicContact CG-CZ 4.39Å; L895-F899 WeakPolarHBondContact O-CB 3.47Å; L895-F899 WeakPolarHBondContact O-CD2 3.41Å; L895-F899 PolarHBondContact O-N 3.2Å; E897-F899 PolarHBondContact O-N 2.89Å; F899-L904 VanDerWaalsContact O-CD1 3.28Å; F899-L904 WeakPolarHBondContact O-CD1 3.41Å; F899-I913 HydrophobicContact CD1-CG2 4.06Å; F899-M914 VanDerWaalsContact O-CA 3.31Å; F899-M914 WeakPolarHBondContact O-CA 3.13Å; F899-A917 HydrophobicContact CB-CB 3.69Å
900	G	87.1	Confident	85.4	Confident	11 Å²	11	41.7 Å²	41.7	11%	0.113	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	0.4	176.6	0	0	0	0	0	114.7	L896 E897 Q898 R902 Q918	L896-G900 PolarHBondContact O-N 2.79Å; E897-G900 CarbonylContact O-C 3.42Å; E897-G900 WeakPolarHBondContact O-CA 3.27Å; E897-G900 PolarHBondContact O-N 2.74Å; Q898-G900 VanDerWaalsContact C-N 3.25Å; Q898-G900 PolarHBondContact O-N 3.41Å; G900-R902 PolarHBondContact O-N 3.1Å; G900-Q918 PolarHBondContact O-NE2 3.12Å
901	D	86.1	Confident	85.2	Confident	47 Å²	47	44.8 Å²	44.8	25%	0.251	21%	0.211	S	C	.	.			trans	-59.6	129.6	179.9	-170.7	-32.4	0	0	0	111.6	M824 E897 N903 L904 M914	M824-D901 HydrophobicContact CE-CB 3.85Å; M824-D901 VanDerWaalsContact CE-OD2 3.28Å; M824-D901 WeakPolarHBondContact CE-OD2 3.43Å; E897-D901 PolarHBondContact O-N 2.78Å; D901-N903 PolarHBondContact O-N 2.68Å; D901-N903 WeakPolarHBondContact OD1-CB 3.24Å; D901-N903 PolarHBondContact OD1-N 3.09Å; D901-N903 PolarHBondContact OD1-ND2 2.68Å; D901-L904 WeakPolarHBondContact O-CB 3.47Å; D901-L904 PolarHBondContact O-N 2.71Å; D901-L904 VanDerWaalsContact O-N 3.11Å; D901-M914 WeakPolarHBondContact O-CG 3.45Å; D901-M914 VanDerWaalsContact O-SD 3.33Å
902	R	82.5	Confident	85.1	Confident	203 Å²	203	46.4 Å²	46.4	77%	0.766	22%	0.22	S	C	*	.	G	3₁₀ helix	trans	-58.3	-29.9	-178.8	-65.5	-177.6	179.5	-179.3	1.1	113	G900 L904 S905	G900-R902 PolarHBondContact O-N 3.1Å; R902-L904 PolarHBondContact O-N 3.42Å; R902-L904 VanDerWaalsContact O-N 3.14Å; R902-S905 VanDerWaalsContact O-CB 3.24Å; R902-S905 WeakPolarHBondContact O-CB 3.08Å; R902-S905 PolarHBondContact O-N 3.18Å; R902-S905 PolarHBondContact O-OG 3.3Å
903	N	81.1	Confident	85.1	Confident	20 Å²	20	40.8 Å²	40.8	11%	0.107	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-59.2	-22.7	178.6	-68.9	-68.1	0	0	0	112.8	Y814 D815 I818 M824 D901 S905 F906	Y814-N903 WeakPolarHBondContact CA-OD1 3.39Å; D815-N903 PolarHBondContact N-OD1 3.25Å; I818-N903 HydrophobicContact CG2-CB 4.39Å; M824-N903 HydrophobicContact CE-CB 4.4Å; D901-N903 PolarHBondContact O-N 2.68Å; D901-N903 WeakPolarHBondContact OD1-CB 3.24Å; D901-N903 PolarHBondContact OD1-N 3.09Å; D901-N903 PolarHBondContact OD1-ND2 2.68Å; N903-S905 PolarHBondContact O-N 2.87Å; N903-S905 VanDerWaalsContact O-N 3.11Å; N903-F906 WeakPolarHBondContact O-CD1 3.3Å
904	L	81.1	Confident	85.2	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-68.7	-0.5	172.9	-68.7	164.8	0	0	0	114.1	M824 I827 I828 I831 F899 D901 R902 F906 C910 H911 M914	M824-L904 HydrophobicContact SD-CD1 4.38Å; M824-L904 HydrophobicContact SD-CD2 3.5Å; M824-L904 VanDerWaalsContact SD-CD2 3.5Å; M824-L904 HydrophobicContact SD-CG 3.73Å; I827-L904 HydrophobicContact CG2-CD1 4.04Å; I827-L904 HydrophobicContact CG2-CD2 3.99Å; I828-L904 HydrophobicContact CG1-CD2 3.98Å; I831-L904 HydrophobicContact CD1-CD2 4.24Å; F899-L904 VanDerWaalsContact O-CD1 3.28Å; F899-L904 WeakPolarHBondContact O-CD1 3.41Å; D901-L904 WeakPolarHBondContact O-CB 3.47Å; D901-L904 PolarHBondContact O-N 2.71Å; D901-L904 VanDerWaalsContact O-N 3.11Å; R902-L904 PolarHBondContact O-N 3.42Å; R902-L904 VanDerWaalsContact O-N 3.14Å; L904-F906 HydrophobicContact CD2-CE1 4.35Å; L904-F906 PolarHBondContact O-N 3.34Å; L904-F906 VanDerWaalsContact O-N 3.17Å; L904-C910 HydrophobicContact CB-CB 4.41Å; L904-C910 CarbonylContact O-C 3.59Å; L904-C910 WeakPolarHBondContact O-CB 3.37Å; L904-H911 PolarHBondContact O-N 3.02Å; L904-M914 HydrophobicContact CB-CB 4.14Å; L904-M914 HydrophobicContact CB-CG 4.35Å
905	S	76.6	Confident	85.1	Confident	44 Å²	44	44.6 Å²	44.6	31%	0.308	21%	0.21	S	C	.	.	G	3₁₀ helix	trans	-75.3	5.7	-178.3	-63.4	0	0	0	0	115.6	R902 N903 H911 M914	R902-S905 VanDerWaalsContact O-CB 3.24Å; R902-S905 WeakPolarHBondContact O-CB 3.08Å; R902-S905 PolarHBondContact O-N 3.18Å; R902-S905 PolarHBondContact O-OG 3.3Å; N903-S905 PolarHBondContact O-N 2.87Å; N903-S905 VanDerWaalsContact O-N 3.11Å; S905-H911 WeakPolarHBondContact CA-CE1 3.49Å; S905-H911 WeakPolarHBondContact CB-CE1 3.36Å; S905-H911 PolarHBondContact OG-CE1 3.01Å; S905-H911 PolarHBondContact OG-ND1 2.94Å; S905-M914 PolarHBondContact OG-SD 3.06Å; S905-M914 VanDerWaalsContact OG-SD 3.39Å
906	F	74.8	Confident	85	Confident	23 Å²	23	45.5 Å²	45.5	10%	0.101	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-74.9	-19.5	-175.6	69.6	-89.6	0	0	0	115.6	I807 Y814 M819 I828 N903 L904 C910	I807-F906 HydrophobicContact CD1-CB 4.05Å; I807-F906 HydrophobicContact CD1-CD2 4.14Å; I807-F906 HydrophobicContact CD1-CG 4.37Å; I807-F906 HydrophobicContact CG1-CB 4.4Å; I807-F906 HydrophobicContact CG1-CD2 4.37Å; I807-F906 HydrophobicContact CG2-CB 3.96Å; Y814-F906 HydrophobicContact CD1-CB 4.24Å; Y814-F906 HydrophobicContact CE1-CB 4.47Å; M819-F906 HydrophobicContact CE-CB 4.45Å; M819-F906 HydrophobicContact CE-CD1 3.39Å; M819-F906 HydrophobicContact CE-CD2 4.23Å; M819-F906 HydrophobicContact CE-CE1 3.54Å; M819-F906 HydrophobicContact CE-CE2 4.35Å; M819-F906 HydrophobicContact CE-CG 3.77Å; M819-F906 HydrophobicContact CE-CZ 4.03Å; M819-F906 HydrophobicContact SD-CD1 3.84Å; M819-F906 HydrophobicContact SD-CE1 3.93Å; I828-F906 HydrophobicContact CD1-CE1 3.76Å; I828-F906 HydrophobicContact CD1-CZ 3.8Å; I828-F906 HydrophobicContact CG1-CE1 3.99Å; I828-F906 HydrophobicContact CG1-CZ 3.9Å; I828-F906 HydrophobicContact CG2-CZ 4.19Å; N903-F906 WeakPolarHBondContact O-CD1 3.3Å; L904-F906 HydrophobicContact CD2-CE1 4.35Å; L904-F906 PolarHBondContact O-N 3.34Å; L904-F906 VanDerWaalsContact O-N 3.17Å; F906-C910 HydrophobicContact CE1-CB 4.14Å; F906-C910 HydrophobicContact CZ-CB 4.26Å; F906-C910 VanDerWaalsContact CZ-SG 3.57Å
907	D	75.8	Confident	85	Confident	52 Å²	52	44.9 Å²	44.9	28%	0.278	21%	0.212	S	C	.	.	S	Bend	trans	-135.4	146.7	-179.3	165.8	86.9	0	0	0	109.8	R909 C910 H911	D907-R909 VanDerWaalsContact C-N 3.31Å; D907-R909 PolarHBondContact O-N 3.38Å; D907-R909 WeakPolarHBondContact OD2-CA 3.27Å; D907-R909 WeakPolarHBondContact OD2-CB 3.5Å; D907-R909 PolarHBondContact OD2-N 3.05Å; D907-R909 IonicContact OD2-NH1 3.09Å; D907-C910 HydrophobicContact CB-CB 4.16Å; D907-C910 PolarHBondContact O-N 2.92Å; D907-C910 PolarHBondContact OD2-N 2.75Å; D907-C910 VanDerWaalsContact OD2-N 3.15Å; D907-H911 VanDerWaalsContact O-CB 3.3Å; D907-H911 WeakPolarHBondContact O-CB 3.49Å; D907-H911 PolarHBondContact O-N 3.26Å
908	E	79.2	Confident	84.9	Confident	146 Å²	146	43.9 Å²	43.9	68%	0.682	21%	0.208	S	C	*	.	H	α-helix	trans	-60.1	-38.1	-175.2	-160.8	-158.1	152.8	0	0	112.7	N912	E908-N912 VanDerWaalsContact O-CB 3.28Å; E908-N912 WeakPolarHBondContact O-CB 3.34Å; E908-N912 VanDerWaalsContact O-CG 3.23Å; E908-N912 PolarHBondContact O-N 2.86Å; E908-N912 PolarHBondContact O-ND2 3.19Å; E908-N912 VanDerWaalsContact O-ND2 3.1Å
909	R	82.8	Confident	84.9	Confident	40 Å²	40	44.7 Å²	44.7	15%	0.151	22%	0.22	C	C	.	.	H	α-helix	trans	-70.8	-43.9	177.5	-175.4	-174.8	-63.1	87.6	5.3	110.6	I831 Y838 D839 D907 N912 I913	I831-R909 HydrophobicContact CG2-CG 4.1Å; Y838-R909 HydrophobicContact CD1-CG 3.89Å; Y838-R909 HydrophobicContact CD2-CG 3.61Å; Y838-R909 HydrophobicContact CE1-CB 4.29Å; Y838-R909 HydrophobicContact CE1-CG 3.96Å; Y838-R909 HydrophobicContact CE2-CB 4.33Å; Y838-R909 HydrophobicContact CE2-CG 3.66Å; Y838-R909 HydrophobicContact CG-CG 3.73Å; D839-R909 IonicContact OD1-CZ 3.13Å; D839-R909 IonicContact OD1-NE 2.68Å; D839-R909 PolarHBondContact OD1-NE 2.91Å; D839-R909 IonicContact OD1-NH2 2.74Å; D839-R909 PolarHBondContact OD1-NH2 2.83Å; D839-R909 IonicContact OD2-NH2 2.85Å; D907-R909 VanDerWaalsContact C-N 3.31Å; D907-R909 PolarHBondContact O-N 3.38Å; D907-R909 WeakPolarHBondContact OD2-CA 3.27Å; D907-R909 WeakPolarHBondContact OD2-CB 3.5Å; D907-R909 PolarHBondContact OD2-N 3.05Å; D907-R909 IonicContact OD2-NH1 3.09Å; R909-N912 PolarHBondContact O-N 3.33Å; R909-I913 HydrophobicContact CG-CD1 3.96Å; R909-I913 WeakPolarHBondContact O-CB 3.38Å; R909-I913 VanDerWaalsContact O-CG1 3.3Å; R909-I913 WeakPolarHBondContact O-CG1 3.43Å; R909-I913 PolarHBondContact O-N 3.04Å
910	C	84.7	Confident	84.6	Confident	5 Å²	5	47.6 Å²	47.6	3%	0.034	23%	0.232	C	C	.	.	H	α-helix	trans	-61.9	-47.1	176.9	-63.3	0	0	0	0	111.1	L904 F906 D907 N912 I913 M914	L904-C910 HydrophobicContact CB-CB 4.41Å; L904-C910 CarbonylContact O-C 3.59Å; L904-C910 WeakPolarHBondContact O-CB 3.37Å; F906-C910 HydrophobicContact CE1-CB 4.14Å; F906-C910 HydrophobicContact CZ-CB 4.26Å; F906-C910 VanDerWaalsContact CZ-SG 3.57Å; D907-C910 HydrophobicContact CB-CB 4.16Å; D907-C910 PolarHBondContact O-N 2.92Å; D907-C910 PolarHBondContact OD2-N 2.75Å; D907-C910 VanDerWaalsContact OD2-N 3.15Å; C910-N912 PolarHBondContact O-N 2.71Å; C910-I913 PolarHBondContact O-N 3.15Å; C910-M914 VanDerWaalsContact O-CB 3.28Å; C910-M914 WeakPolarHBondContact O-CB 3.39Å; C910-M914 PolarHBondContact O-N 2.85Å
911	H	84.8	Confident	84.7	Confident	67 Å²	67	49.5 Å²	49.5	31%	0.31	24%	0.24	S	C	.	.	H	α-helix	trans	-61.4	-42.6	177	-177	74.4	0	0	0	113.1	L904 S905 D907 M914 K915	L904-H911 PolarHBondContact O-N 3.02Å; S905-H911 WeakPolarHBondContact CA-CE1 3.49Å; S905-H911 WeakPolarHBondContact CB-CE1 3.36Å; S905-H911 PolarHBondContact OG-CE1 3.01Å; S905-H911 PolarHBondContact OG-ND1 2.94Å; D907-H911 VanDerWaalsContact O-CB 3.3Å; D907-H911 WeakPolarHBondContact O-CB 3.49Å; D907-H911 PolarHBondContact O-N 3.26Å; H911-M914 WeakPolarHBondContact CE1-CE 3.37Å; H911-M914 PolarHBondContact O-N 2.68Å; H911-K915 PolarHBondContact O-N 2.92Å
912	N	87.3	Confident	84.6	Confident	42 Å²	42	55.3 Å²	55.3	23%	0.225	27%	0.265	C	S	.	.	H	α-helix	trans	-71.7	-32.4	177.8	-74.1	-30.4	0	0	0	112.7	Y838 P843 E908 R909 C910 V916	Y838-N912 HydrophobicContact CE2-CB 4.26Å; Y838-N912 WeakPolarHBondContact OH-CB 3.47Å; Y838-N912 PolarHBondContact OH-ND2 2.86Å; P843-N912 HydrophobicContact CB-CB 4.22Å; E908-N912 VanDerWaalsContact O-CB 3.28Å; E908-N912 WeakPolarHBondContact O-CB 3.34Å; E908-N912 VanDerWaalsContact O-CG 3.23Å; E908-N912 PolarHBondContact O-N 2.86Å; E908-N912 PolarHBondContact O-ND2 3.19Å; E908-N912 VanDerWaalsContact O-ND2 3.1Å; R909-N912 PolarHBondContact O-N 3.33Å; C910-N912 PolarHBondContact O-N 2.71Å; N912-V916 WeakPolarHBondContact O-CG2 3.25Å; N912-V916 PolarHBondContact O-N 3.11Å
913	I	88.6	Confident	84.7	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-70.6	-41.7	172.1	-75.3	174.6	0	0	0	111	I831 Y838 F847 F899 R909 C910 K915 V916 A917	I831-I913 HydrophobicContact CB-CD1 4.39Å; I831-I913 HydrophobicContact CD1-CG2 4.01Å; I831-I913 HydrophobicContact CG1-CD1 4.03Å; I831-I913 HydrophobicContact CG1-CG2 4.16Å; I831-I913 HydrophobicContact CG2-CD1 3.8Å; Y838-I913 HydrophobicContact CD2-CD1 3.95Å; Y838-I913 HydrophobicContact CD2-CG1 3.99Å; Y838-I913 HydrophobicContact CE2-CD1 4.4Å; Y838-I913 HydrophobicContact CE2-CG1 4.07Å; F847-I913 HydrophobicContact CB-CG1 4.4Å; F847-I913 HydrophobicContact CB-CG2 4.06Å; F847-I913 HydrophobicContact CD2-CG2 3.95Å; F899-I913 HydrophobicContact CD1-CG2 4.06Å; R909-I913 HydrophobicContact CG-CD1 3.96Å; R909-I913 WeakPolarHBondContact O-CB 3.38Å; R909-I913 VanDerWaalsContact O-CG1 3.3Å; R909-I913 WeakPolarHBondContact O-CG1 3.43Å; R909-I913 PolarHBondContact O-N 3.04Å; C910-I913 PolarHBondContact O-N 3.15Å; I913-K915 VanDerWaalsContact C-N 3.35Å; I913-K915 PolarHBondContact O-N 3.13Å; I913-V916 WeakPolarHBondContact O-CB 3.22Å; I913-V916 PolarHBondContact O-N 2.92Å; I913-V916 VanDerWaalsContact O-N 3.11Å; I913-A917 PolarHBondContact O-N 3.42Å
914	M	90.9	Very high	84.6	Confident	5 Å²	5	53.6 Å²	53.6	3%	0.025	27%	0.268	C	S	.	.	H	α-helix	trans	-59.1	-43.6	175.1	177.3	-149.3	69.1	0	0	111.7	F899 D901 L904 S905 C910 H911 V916 A917 Q918	F899-M914 VanDerWaalsContact O-CA 3.31Å; F899-M914 WeakPolarHBondContact O-CA 3.13Å; D901-M914 WeakPolarHBondContact O-CG 3.45Å; D901-M914 VanDerWaalsContact O-SD 3.33Å; L904-M914 HydrophobicContact CB-CB 4.14Å; L904-M914 HydrophobicContact CB-CG 4.35Å; S905-M914 PolarHBondContact OG-SD 3.06Å; S905-M914 VanDerWaalsContact OG-SD 3.39Å; C910-M914 VanDerWaalsContact O-CB 3.28Å; C910-M914 WeakPolarHBondContact O-CB 3.39Å; C910-M914 PolarHBondContact O-N 2.85Å; H911-M914 WeakPolarHBondContact CE1-CE 3.37Å; H911-M914 PolarHBondContact O-N 2.68Å; M914-V916 VanDerWaalsContact C-N 3.32Å; M914-V916 PolarHBondContact O-N 3.27Å; M914-A917 PolarHBondContact O-N 3.49Å; M914-A917 VanDerWaalsContact O-N 3.16Å; M914-Q918 WeakPolarHBondContact O-CG 3.44Å; M914-Q918 PolarHBondContact O-N 2.89Å
915	K	89.8	Confident	84.3	Confident	106 Å²	106	59 Å²	59	46%	0.461	29%	0.291	S	S	.	.	H	α-helix	trans	-60.8	-37	173	-83.4	173.5	165	166.5	0	113.5	H911 I913 A919	H911-K915 PolarHBondContact O-N 2.92Å; I913-K915 VanDerWaalsContact C-N 3.35Å; I913-K915 PolarHBondContact O-N 3.13Å; K915-A919 VanDerWaalsContact O-CB 3.32Å; K915-A919 WeakPolarHBondContact O-CB 3.36Å; K915-A919 PolarHBondContact O-N 2.96Å
916	V	89.9	Confident	83.7	Confident	24 Å²	24	61.7 Å²	61.7	15%	0.145	31%	0.308	C	S	.	.	H	α-helix	trans	-66.3	-44.2	172.8	173	0	0	0	0	110.5	P843 E844 F847 N912 I913 M914 A919 K920	P843-V916 HydrophobicContact CB-CG2 4.16Å; E844-V916 HydrophobicContact CB-CG1 4.43Å; E844-V916 HydrophobicContact CG-CG1 4.37Å; F847-V916 HydrophobicContact CB-CB 4.24Å; F847-V916 HydrophobicContact CB-CG1 3.91Å; F847-V916 HydrophobicContact CD1-CG1 3.59Å; F847-V916 HydrophobicContact CE1-CG1 4.34Å; F847-V916 HydrophobicContact CG-CB 4.34Å; F847-V916 HydrophobicContact CG-CG1 3.78Å; N912-V916 WeakPolarHBondContact O-CG2 3.25Å; N912-V916 PolarHBondContact O-N 3.11Å; I913-V916 WeakPolarHBondContact O-CB 3.22Å; I913-V916 PolarHBondContact O-N 2.92Å; I913-V916 VanDerWaalsContact O-N 3.11Å; M914-V916 VanDerWaalsContact C-N 3.32Å; M914-V916 PolarHBondContact O-N 3.27Å; V916-A919 PolarHBondContact O-N 3.06Å; V916-K920 HydrophobicContact CG1-CG 4.38Å; V916-K920 WeakPolarHBondContact O-CG 3.36Å; V916-K920 PolarHBondContact O-N 3.1Å
917	A	89.9	Confident	83.5	Confident	0 Å²	0	67.9 Å²	67.9	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-61.4	-46.3	178.3	0	0	0	0	0	112.2	F847 L896 F899 I913 M914 K920 L921	F847-A917 HydrophobicContact CD2-CB 4.28Å; F847-A917 HydrophobicContact CE2-CB 3.83Å; F847-A917 HydrophobicContact CZ-CB 4.45Å; L896-A917 HydrophobicContact CD2-CB 4.42Å; F899-A917 HydrophobicContact CB-CB 3.69Å; I913-A917 PolarHBondContact O-N 3.42Å; M914-A917 PolarHBondContact O-N 3.49Å; M914-A917 VanDerWaalsContact O-N 3.16Å; A917-K920 PolarHBondContact O-N 3.41Å; A917-K920 VanDerWaalsContact O-N 3.17Å; A917-L921 WeakPolarHBondContact O-CB 3.36Å; A917-L921 PolarHBondContact O-N 2.95Å
918	Q	89.8	Confident	83.4	Confident	56 Å²	56	69 Å²	69	26%	0.262	34%	0.341	S	S	.	.	H	α-helix	trans	-57.4	-49.5	174	-71.6	167.2	-6.8	0	0	111.5	G900 M914 K920 L921 E922	G900-Q918 PolarHBondContact O-NE2 3.12Å; M914-Q918 WeakPolarHBondContact O-CG 3.44Å; M914-Q918 PolarHBondContact O-N 2.89Å; Q918-K920 VanDerWaalsContact C-N 3.27Å; Q918-K920 PolarHBondContact O-N 2.84Å; Q918-L921 WeakPolarHBondContact O-CB 3.1Å; Q918-L921 PolarHBondContact O-N 3.16Å; Q918-L921 VanDerWaalsContact O-N 3.11Å; Q918-E922 WeakPolarHBondContact O-CG 3.48Å; Q918-E922 PolarHBondContact O-N 3.42Å
919	A	89.1	Confident	83.2	Confident	48 Å²	48	62.6 Å²	62.6	40%	0.397	31%	0.312	S	S	.	.	H	α-helix	trans	-64.9	-26.5	177.7	0	0	0	0	0	113.6	K915 V916 M923	K915-A919 VanDerWaalsContact O-CB 3.32Å; K915-A919 WeakPolarHBondContact O-CB 3.36Å; K915-A919 PolarHBondContact O-N 2.96Å; V916-A919 PolarHBondContact O-N 3.06Å; A919-M923 VanDerWaalsContact O-CG 3.28Å; A919-M923 WeakPolarHBondContact O-CG 3.35Å
920	K	86	Confident	83.2	Confident	61 Å²	61	64.5 Å²	64.5	27%	0.265	33%	0.325	S	S	.	.	H	α-helix	trans	-77.3	-35.9	171.1	-67.7	-55.7	-179.5	-168.3	0	112.2	E844 F847 L896 V916 A917 Q918 M923	E844-K920 WeakPolarHBondContact OE1-CE 3.31Å; E844-K920 IonicContact OE1-NZ 2.95Å; E844-K920 PolarHBondContact OE1-NZ 2.88Å; F847-K920 HydrophobicContact CE1-CG 4.36Å; L896-K920 HydrophobicContact CD2-CB 3.72Å; V916-K920 HydrophobicContact CG1-CG 4.38Å; V916-K920 WeakPolarHBondContact O-CG 3.36Å; V916-K920 PolarHBondContact O-N 3.1Å; A917-K920 PolarHBondContact O-N 3.41Å; A917-K920 VanDerWaalsContact O-N 3.17Å; Q918-K920 VanDerWaalsContact C-N 3.27Å; Q918-K920 PolarHBondContact O-N 2.84Å; K920-M923 PolarHBondContact O-N 3.42Å
921	L	87.4	Confident	83.1	Confident	51 Å²	51	69.2 Å²	69.2	27%	0.267	35%	0.349	S	S	.	.	H	α-helix	trans	-63.7	-42.9	175.9	-170	71.2	0	0	0	111.2	K893 L896 E897 A917 Q918 M923 I924	K893-L921 HydrophobicContact CG-CD1 4.06Å; L896-L921 HydrophobicContact CB-CD1 4Å; E897-L921 HydrophobicContact CG-CD1 3.85Å; E897-L921 HydrophobicContact CG-CD2 3.79Å; A917-L921 WeakPolarHBondContact O-CB 3.36Å; A917-L921 PolarHBondContact O-N 2.95Å; Q918-L921 WeakPolarHBondContact O-CB 3.1Å; Q918-L921 PolarHBondContact O-N 3.16Å; Q918-L921 VanDerWaalsContact O-N 3.11Å; L921-M923 PolarHBondContact O-N 2.93Å; L921-I924 HydrophobicContact CD1-CD1 4.05Å; L921-I924 PolarHBondContact O-N 3.36Å
922	E	85.5	Confident	83	Confident	169 Å²	169	73.2 Å²	73.2	79%	0.79	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-18	173.5	-71.5	176.7	-178.4	0	0	114.1	Q918	Q918-E922 WeakPolarHBondContact O-CG 3.48Å; Q918-E922 PolarHBondContact O-N 3.42Å
923	M	83.2	Confident	83	Confident	136 Å²	136	74.3 Å²	74.3	67%	0.67	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.3	-9	177.7	-69.9	-178.5	82.7	0	0	113.9	A919 K920 L921 K925	A919-M923 VanDerWaalsContact O-CG 3.28Å; A919-M923 WeakPolarHBondContact O-CG 3.35Å; K920-M923 PolarHBondContact O-N 3.42Å; L921-M923 PolarHBondContact O-N 2.93Å; M923-K925 PolarHBondContact O-N 2.99Å
924	I	80.4	Confident	82.9	Confident	50 Å²	50	74.9 Å²	74.9	26%	0.256	37%	0.374	S	S	.	.			trans	-71.9	124.5	174.9	-55.6	-178	0	0	0	108.6	K893 L896 L921 E928 V929	K893-I924 HydrophobicContact CB-CD1 4.24Å; K893-I924 HydrophobicContact CG-CD1 4.21Å; L896-I924 HydrophobicContact CD1-CD1 3.89Å; L921-I924 HydrophobicContact CD1-CD1 4.05Å; L921-I924 PolarHBondContact O-N 3.36Å; I924-E928 HydrophobicContact CG2-CB 4.33Å; I924-V929 HydrophobicContact CG2-CG2 3.78Å
925	K	74.1	Confident	82.8	Confident	113 Å²	113	78.8 Å²	78.8	49%	0.491	39%	0.392	S	S	.	.			trans	-85.2	155.7	179.6	-53.9	-178.4	-165.3	134.7	0	113	M923 E927 E928	M923-K925 PolarHBondContact O-N 2.99Å; K925-E927 WeakPolarHBondContact CB-OE2 3.35Å; K925-E927 PolarHBondContact O-N 3.23Å; K925-E928 HydrophobicContact CB-CB 4.46Å; K925-E928 HydrophobicContact CB-CG 4.04Å; K925-E928 WeakPolarHBondContact CD-OE1 3.17Å; K925-E928 WeakPolarHBondContact CE-OE1 3.38Å; K925-E928 PolarHBondContact N-OE2 3.46Å; K925-E928 VanDerWaalsContact N-OE2 3.17Å; K925-E928 IonicContact NZ-OE1 2.87Å; K925-E928 PolarHBondContact NZ-OE1 3.37Å; K925-E928 VanDerWaalsContact NZ-OE1 3.09Å; K925-E928 WeakPolarHBondContact O-CB 3.25Å; K925-E928 PolarHBondContact O-N 3.01Å
926	P	64.5	Low	82.8	Confident	101 Å²	101	79.7 Å²	79.7	66%	0.656	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-29.8	174.1	-25	35.7	0	0	0	114.2	E928	P926-E928 VanDerWaalsContact C-N 3.27Å; P926-E928 PolarHBondContact O-N 2.96Å
927	E	69.9	Low	83	Confident	154 Å²	154	79.6 Å²	79.6	72%	0.72	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-7.6	177.3	-45.7	81.5	-176.3	0	0	113.1	K925	K925-E927 WeakPolarHBondContact CB-OE2 3.35Å; K925-E927 PolarHBondContact O-N 3.23Å
928	E	72.6	Confident	83.1	Confident	74 Å²	74	81 Å²	81	35%	0.346	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.5	-28.3	-175.4	-70.7	167.8	-174.1	0	0	112.4	K889 I924 K925 P926	K889-E928 WeakPolarHBondContact CD-O 3.48Å; K889-E928 WeakPolarHBondContact CE-O 3.16Å; K889-E928 PolarHBondContact NZ-O 3.02Å; I924-E928 HydrophobicContact CG2-CB 4.33Å; K925-E928 HydrophobicContact CB-CB 4.46Å; K925-E928 HydrophobicContact CB-CG 4.04Å; K925-E928 WeakPolarHBondContact CD-OE1 3.17Å; K925-E928 WeakPolarHBondContact CE-OE1 3.38Å; K925-E928 PolarHBondContact N-OE2 3.46Å; K925-E928 VanDerWaalsContact N-OE2 3.17Å; K925-E928 IonicContact NZ-OE1 2.87Å; K925-E928 PolarHBondContact NZ-OE1 3.37Å; K925-E928 VanDerWaalsContact NZ-OE1 3.09Å; K925-E928 WeakPolarHBondContact O-CB 3.25Å; K925-E928 PolarHBondContact O-N 3.01Å; P926-E928 VanDerWaalsContact C-N 3.27Å; P926-E928 PolarHBondContact O-N 2.96Å
929	V	76.7	Confident	83.2	Confident	12 Å²	12	83.8 Å²	83.8	7%	0.073	42%	0.415	C	S	.	.	S	Bend	trans	-133.8	124	176	-176.7	0	0	0	0	109.5	K889 I890 K893 I924 L931 Y934	K889-V929 HydrophobicContact CB-CG2 4.2Å; I890-V929 HydrophobicContact CG1-CG1 4.25Å; K893-V929 HydrophobicContact CD-CG1 4.17Å; I924-V929 HydrophobicContact CG2-CG2 3.78Å; V929-L931 PolarHBondContact O-N 2.87Å; V929-Y934 HydrophobicContact CG1-CD2 4.41Å
930	N	81.3	Confident	83.4	Confident	81 Å²	81	82.1 Å²	82.1	43%	0.433	40%	0.399	S	S	.	.			trans	-64.9	119.3	172	-176.5	3.1	0	0	0	109.4	E932 E933 Y934	N930-E932 PolarHBondContact OD1-N 3.26Å; N930-E933 HydrophobicContact CB-CB 3.92Å; N930-Y934 WeakPolarHBondContact O-CB 3.32Å; N930-Y934 PolarHBondContact O-N 2.85Å
931	L	82.7	Confident	83.8	Confident	104 Å²	104	80.1 Å²	80.1	55%	0.545	39%	0.39	S	S	.	.	H	α-helix	trans	-77.9	-26	-177.8	-64.1	177.5	0	0	0	112.8	V929 E935	V929-L931 PolarHBondContact O-N 2.87Å; L931-E935 PolarHBondContact O-N 2.87Å; L931-E935 VanDerWaalsContact O-N 3.11Å
932	E	83.3	Confident	84.1	Confident	150 Å²	150	83 Å²	83	70%	0.701	40%	0.397	S	S	*	.	H	α-helix	trans	-69.3	-54.1	175.4	-62.6	170.7	168.4	0	0	109.1	N930 Y934 E935 E936	N930-E932 PolarHBondContact OD1-N 3.26Å; E932-Y934 VanDerWaalsContact C-N 3.25Å; E932-Y934 PolarHBondContact O-N 2.83Å; E932-E935 PolarHBondContact O-N 3.47Å; E932-E935 VanDerWaalsContact O-N 3.09Å; E932-E936 WeakPolarHBondContact O-CG 3.5Å; E932-E936 PolarHBondContact O-N 2.9Å
933	E	86.6	Confident	84.4	Confident	65 Å²	65	76.6 Å²	76.6	30%	0.304	37%	0.367	S	S	.	.	H	α-helix	trans	-56.7	-37.7	172.9	-170.2	-174.9	-166	0	0	111.9	P887 I890 N930 E936 W937	P887-E933 VanDerWaalsContact CG-OE1 3.29Å; P887-E933 WeakPolarHBondContact CG-OE1 3.3Å; I890-E933 HydrophobicContact CD1-CB 4.34Å; I890-E933 HydrophobicContact CD1-CG 3.75Å; N930-E933 HydrophobicContact CB-CB 3.92Å; E933-E936 PolarHBondContact O-N 3.3Å; E933-W937 PolarHBondContact O-N 3.27Å; E933-W937 VanDerWaalsContact O-N 3.1Å
934	Y	88.1	Confident	85	Confident	13 Å²	13	70.1 Å²	70.1	5%	0.051	34%	0.335	C	S	.	.	H	α-helix	trans	-59.6	-47.4	175.2	-171.3	-95.7	0	0	0	112.3	I890 K893 T894 E897 V929 N930 E932 H938	I890-Y934 HydrophobicContact CB-CD2 4.33Å; I890-Y934 HydrophobicContact CG1-CD2 4.23Å; I890-Y934 HydrophobicContact CG2-CD2 3.8Å; I890-Y934 HydrophobicContact CG2-CE2 4.06Å; K893-Y934 HydrophobicContact CB-CE2 3.98Å; K893-Y934 HydrophobicContact CD-CD2 3.72Å; K893-Y934 HydrophobicContact CD-CE1 4.45Å; K893-Y934 HydrophobicContact CD-CE2 3.49Å; K893-Y934 VanDerWaalsContact CD-CE2 3.49Å; K893-Y934 HydrophobicContact CD-CG 4.33Å; K893-Y934 HydrophobicContact CG-CD2 4.45Å; K893-Y934 HydrophobicContact CG-CE2 3.78Å; K893-Y934 VanDerWaalsContact NZ-CG 3.35Å; T894-Y934 WeakPolarHBondContact OG1-CE2 3.38Å; T894-Y934 PolarHBondContact OG1-OH 3.48Å; T894-Y934 VanDerWaalsContact OG1-OH 3.11Å; E897-Y934 PolarHBondContact OE1-OH 3.13Å; E897-Y934 PolarHBondContact OE2-OH 2.98Å; V929-Y934 HydrophobicContact CG1-CD2 4.41Å; N930-Y934 WeakPolarHBondContact O-CB 3.32Å; N930-Y934 PolarHBondContact O-N 2.85Å; E932-Y934 VanDerWaalsContact C-N 3.25Å; E932-Y934 PolarHBondContact O-N 2.83Å; Y934-H938 AromaticContact CD1-ND1 3.86Å; Y934-H938 AromaticContact CE1-CE1 3.58Å; Y934-H938 AromaticContact CE1-ND1 3.7Å; Y934-H938 AromaticContact CE2-CE1 3.46Å; Y934-H938 VanDerWaalsContact CE2-CE1 3.46Å; Y934-H938 WeakPolarHBondContact CE2-CE1 3.42Å; Y934-H938 AromaticContact CZ-CE1 3.21Å; Y934-H938 AromaticContact CZ-ND1 3.81Å; Y934-H938 AromaticContact CZ-NE2 3.83Å; Y934-H938 PolarHBondContact O-N 3.15Å; Y934-H938 PolarHBondContact O-ND1 2.85Å; Y934-H938 PolarHBondContact OH-CE1 3.35Å
935	E	87.9	Confident	85.6	Confident	86 Å²	86	70.5 Å²	70.5	40%	0.402	33%	0.333	S	S	.	.	H	α-helix	trans	-71.9	-37	-178.9	-168.6	60.2	-152	0	0	111.5	L931 E932 W937 H938 Q939 R942	L931-E935 PolarHBondContact O-N 2.87Å; L931-E935 VanDerWaalsContact O-N 3.11Å; E932-E935 PolarHBondContact O-N 3.47Å; E932-E935 VanDerWaalsContact O-N 3.09Å; E935-W937 PolarHBondContact O-N 2.99Å; E935-H938 CarbonylContact O-C 3.5Å; E935-H938 PolarHBondContact O-N 2.84Å; E935-Q939 WeakPolarHBondContact O-CB 3.38Å; E935-Q939 PolarHBondContact O-N 2.97Å; E935-R942 IonicContact OE1-CZ 3.88Å; E935-R942 VanDerWaalsContact OE1-CZ 3.23Å; E935-R942 IonicContact OE1-NH1 2.74Å; E935-R942 PolarHBondContact OE1-NH1 3.41Å; E935-R942 IonicContact OE1-NH2 3.77Å; E935-R942 PolarHBondContact OE1-NH2 3.46Å
936	E	90.3	Very high	86.5	Confident	125 Å²	125	69.1 Å²	69.1	58%	0.584	33%	0.328	S	S	*	.	H	α-helix	trans	-56.9	-47.8	173.4	-74.3	-176.8	160.7	0	0	112.2	E932 E933 H938 Q939 D940	E932-E936 WeakPolarHBondContact O-CG 3.5Å; E932-E936 PolarHBondContact O-N 2.9Å; E933-E936 PolarHBondContact O-N 3.3Å; E936-H938 VanDerWaalsContact C-N 3.3Å; E936-H938 PolarHBondContact O-N 2.98Å; E936-Q939 PolarHBondContact O-N 2.71Å; E936-D940 PolarHBondContact O-N 3.41Å
937	W	92.8	Very high	87.9	Confident	23 Å²	23	64.3 Å²	64.3	9%	0.087	30%	0.297	C	S	.	.	H	α-helix	trans	-61.8	-37.1	177	-83.7	106.9	0	0	0	112.5	F881 N884 T886 I890 E933 E935 Y941 R987	F881-W937 HydrophobicContact CD1-CE3 4.03Å; F881-W937 HydrophobicContact CE1-CB 3.86Å; F881-W937 HydrophobicContact CE1-CE3 4.21Å; F881-W937 WeakPolarHBondContact CE1-O 3.43Å; F881-W937 HydrophobicContact CZ-CB 4.07Å; N884-W937 HydrophobicContact CB-CH2 3.95Å; N884-W937 HydrophobicContact CB-CZ3 3.69Å; N884-W937 WeakPolarHBondContact O-CH2 3.33Å; T886-W937 HydrophobicContact CG2-CD2 3.72Å; T886-W937 HydrophobicContact CG2-CE3 4.21Å; T886-W937 HydrophobicContact CG2-CG 3.91Å; T886-W937 HydrophobicContact CG2-CZ2 4.29Å; T886-W937 VanDerWaalsContact OG1-CH2 3.28Å; T886-W937 WeakPolarHBondContact OG1-CH2 3.47Å; T886-W937 WeakPolarHBondContact OG1-CZ3 3.37Å; I890-W937 HydrophobicContact CD1-CG 4.48Å; E933-W937 PolarHBondContact O-N 3.27Å; E933-W937 VanDerWaalsContact O-N 3.1Å; E935-W937 PolarHBondContact O-N 2.99Å; W937-Y941 PolarHBondContact O-N 3.15Å; W937-Y941 VanDerWaalsContact O-N 3.14Å; W937-R987 VanDerWaalsContact CH2-NH2 3.29Å; W937-R987 VanDerWaalsContact CZ3-NH1 3.33Å
938	H	92.4	Very high	89.1	Confident	30 Å²	30	57 Å²	57	14%	0.139	26%	0.263	C	S	.	.	H	α-helix	trans	-75.5	-29.9	176	-71.1	78.6	0	0	0	112.4	F881 T894 Y934 E935 E936 Y941 R942	F881-H938 AromaticContact CE2-CE1 3.59Å; F881-H938 AromaticContact CE2-NE2 3.65Å; F881-H938 AromaticContact CZ-CE1 3.54Å; F881-H938 AromaticContact CZ-ND1 3.86Å; F881-H938 AromaticContact CZ-NE2 3.64Å; T894-H938 PolarHBondContact OG1-CE1 3.06Å; T894-H938 VanDerWaalsContact OG1-CE1 3.25Å; T894-H938 PolarHBondContact OG1-NE2 3.23Å; Y934-H938 AromaticContact CD1-ND1 3.86Å; Y934-H938 AromaticContact CE1-CE1 3.58Å; Y934-H938 AromaticContact CE1-ND1 3.7Å; Y934-H938 AromaticContact CE2-CE1 3.46Å; Y934-H938 VanDerWaalsContact CE2-CE1 3.46Å; Y934-H938 WeakPolarHBondContact CE2-CE1 3.42Å; Y934-H938 AromaticContact CZ-CE1 3.21Å; Y934-H938 AromaticContact CZ-ND1 3.81Å; Y934-H938 AromaticContact CZ-NE2 3.83Å; Y934-H938 PolarHBondContact O-N 3.15Å; Y934-H938 PolarHBondContact O-ND1 2.85Å; Y934-H938 PolarHBondContact OH-CE1 3.35Å; E935-H938 CarbonylContact O-C 3.5Å; E935-H938 PolarHBondContact O-N 2.84Å; E936-H938 VanDerWaalsContact C-N 3.3Å; E936-H938 PolarHBondContact O-N 2.98Å; H938-Y941 PolarHBondContact O-N 2.85Å; H938-R942 WeakPolarHBondContact O-CG 3.15Å; H938-R942 PolarHBondContact O-N 3.4Å
939	Q	93.3	Very high	90.1	Very high	114 Å²	114	54.4 Å²	54.4	53%	0.533	25%	0.251	S	S	.	.	H	α-helix	trans	-67.5	-46.2	172.6	-173.3	171.9	-8.1	0	0	111.8	E935 E936 Y941 R942 K943	E935-Q939 WeakPolarHBondContact O-CB 3.38Å; E935-Q939 PolarHBondContact O-N 2.97Å; E936-Q939 PolarHBondContact O-N 2.71Å; Q939-Y941 VanDerWaalsContact C-N 3.29Å; Q939-Y941 PolarHBondContact O-N 3.33Å; Q939-R942 PolarHBondContact O-N 3.26Å; Q939-K943 WeakPolarHBondContact O-CB 3.28Å; Q939-K943 PolarHBondContact O-N 3.4Å
940	D	92.4	Very high	90.9	Very high	12 Å²	12	54.7 Å²	54.7	6%	0.064	25%	0.251	C	S	.	.	H	α-helix	trans	-60.1	-39.1	173.3	-91	3.1	0	0	0	111.4	E936 K943 F944 L980 K983 R987	E936-D940 PolarHBondContact O-N 3.41Å; D940-K943 PolarHBondContact O-N 2.76Å; D940-F944 WeakPolarHBondContact O-CB 3.24Å; D940-F944 PolarHBondContact O-N 2.91Å; D940-L980 HydrophobicContact CB-CD2 4.26Å; D940-K983 IonicContact OD1-NZ 3.75Å; D940-K983 PolarHBondContact OD1-NZ 3.03Å; D940-K983 WeakPolarHBondContact OD2-CD 3.35Å; D940-K983 IonicContact OD2-NZ 2.83Å; D940-R987 IonicContact OD2-CZ 2.86Å; D940-R987 IonicContact OD2-NE 3.22Å; D940-R987 IonicContact OD2-NH1 2.66Å; D940-R987 PolarHBondContact OD2-NH1 3.11Å
941	Y	94.6	Very high	91.5	Very high	20 Å²	20	51 Å²	51	8%	0.078	23%	0.231	C	C	.	.	H	α-helix	trans	-67.7	-38.7	174.8	179.7	-110.3	0	0	0	113.3	R873 V877 Y880 W937 H938 Q939 F944 R945	R873-Y941 WeakPolarHBondContact O-CE2 3.34Å; R873-Y941 PolarHBondContact O-OH 3.04Å; V877-Y941 HydrophobicContact CB-CD1 3.88Å; V877-Y941 HydrophobicContact CB-CD2 4.42Å; V877-Y941 HydrophobicContact CB-CE1 3.56Å; V877-Y941 HydrophobicContact CB-CE2 4.14Å; V877-Y941 HydrophobicContact CB-CG 4.29Å; V877-Y941 HydrophobicContact CG2-CD1 3.49Å; V877-Y941 VanDerWaalsContact CG2-CD1 3.49Å; V877-Y941 HydrophobicContact CG2-CD2 4.12Å; V877-Y941 HydrophobicContact CG2-CE1 3.75Å; V877-Y941 HydrophobicContact CG2-CE2 4.34Å; V877-Y941 HydrophobicContact CG2-CG 3.68Å; Y880-Y941 AromaticContact CD1-CD2 3.69Å; Y880-Y941 HydrophobicContact CD1-CD2 3.69Å; Y880-Y941 HydrophobicContact CD1-CG 4.28Å; Y880-Y941 HydrophobicContact CD2-CD2 4.16Å; Y880-Y941 HydrophobicContact CE1-CD2 4.29Å; Y880-Y941 AromaticContact CG-CD2 3.64Å; Y880-Y941 HydrophobicContact CG-CD2 3.64Å; Y880-Y941 HydrophobicContact CG-CE2 4.26Å; W937-Y941 PolarHBondContact O-N 3.15Å; W937-Y941 VanDerWaalsContact O-N 3.14Å; H938-Y941 PolarHBondContact O-N 2.85Å; Q939-Y941 VanDerWaalsContact C-N 3.29Å; Q939-Y941 PolarHBondContact O-N 3.33Å; Y941-F944 HydrophobicContact CD2-CD1 4.21Å; Y941-F944 HydrophobicContact CE2-CD1 4.24Å; Y941-F944 PolarHBondContact O-N 3.37Å; Y941-R945 HydrophobicContact CE1-CG 4.34Å; Y941-R945 HydrophobicContact CE2-CG 4.35Å; Y941-R945 PolarHBondContact O-N 2.75Å; Y941-R945 VanDerWaalsContact O-N 3.09Å
942	R	93.3	Very high	92.1	Very high	111 Å²	111	46.1 Å²	46.1	42%	0.419	21%	0.206	S	C	.	.	H	α-helix	trans	-59.2	-48.3	171	-74.5	-179.2	-61.3	-128.2	-1.1	110.2	E935 H938 Q939 F944 R945 E946	E935-R942 IonicContact OE1-CZ 3.88Å; E935-R942 VanDerWaalsContact OE1-CZ 3.23Å; E935-R942 IonicContact OE1-NH1 2.74Å; E935-R942 PolarHBondContact OE1-NH1 3.41Å; E935-R942 IonicContact OE1-NH2 3.77Å; E935-R942 PolarHBondContact OE1-NH2 3.46Å; H938-R942 WeakPolarHBondContact O-CG 3.15Å; H938-R942 PolarHBondContact O-N 3.4Å; Q939-R942 PolarHBondContact O-N 3.26Å; R942-F944 PolarHBondContact O-N 3.2Å; R942-R945 WeakPolarHBondContact O-CB 3.45Å; R942-R945 PolarHBondContact O-N 2.84Å; R942-R945 VanDerWaalsContact O-N 3.11Å; R942-E946 WeakPolarHBondContact O-CG 3.37Å; R942-E946 PolarHBondContact O-N 2.83Å
943	K	92.9	Very high	92.5	Very high	34 Å²	34	39.7 Å²	39.7	15%	0.148	18%	0.176	C	C	.	.	H	α-helix	trans	-62.4	-37.8	178.4	-173.1	165.4	-178.8	148.5	0	113	Q939 D940 E946 T947 N976 E979 L980	Q939-K943 WeakPolarHBondContact O-CB 3.28Å; Q939-K943 PolarHBondContact O-N 3.4Å; D940-K943 PolarHBondContact O-N 2.76Å; K943-E946 PolarHBondContact O-N 3.33Å; K943-T947 WeakPolarHBondContact O-CB 3.37Å; K943-T947 PolarHBondContact O-N 3.32Å; K943-T947 PolarHBondContact O-OG1 2.75Å; K943-N976 WeakPolarHBondContact CE-OD1 3.37Å; K943-N976 HydrophobicContact CG-CB 4.42Å; K943-N976 PolarHBondContact NZ-OD1 3.02Å; K943-E979 IonicContact NZ-OE1 2.87Å; K943-E979 PolarHBondContact NZ-OE1 3.38Å; K943-E979 IonicContact NZ-OE2 3.88Å; K943-E979 PolarHBondContact NZ-OE2 3.15Å; K943-L980 HydrophobicContact CB-CD2 4.34Å; K943-L980 HydrophobicContact CG-CD1 4.26Å; K943-L980 HydrophobicContact CG-CD2 4.31Å; K943-L980 HydrophobicContact CG-CG 4.32Å
944	F	94.9	Very high	92.9	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-61.2	-45.1	171.4	168.9	-108	0	0	0	111.9	R873 L874 Y880 D940 Y941 R942 T947 T948 L980 R987 H989	R873-F944 HydrophobicContact CB-CE1 3.55Å; R873-F944 HydrophobicContact CB-CZ 3.79Å; L874-F944 HydrophobicContact CD2-CD1 4.43Å; L874-F944 HydrophobicContact CD2-CE1 3.6Å; L874-F944 HydrophobicContact CD2-CZ 3.9Å; L874-F944 HydrophobicContact CG-CE1 4.34Å; L874-F944 HydrophobicContact CG-CZ 4.46Å; Y880-F944 AromaticContact CD2-CD1 3.76Å; Y880-F944 HydrophobicContact CD2-CD1 3.76Å; Y880-F944 HydrophobicContact CD2-CE1 4.09Å; Y880-F944 HydrophobicContact CD2-CG 4.01Å; Y880-F944 HydrophobicContact CE2-CB 3.76Å; Y880-F944 AromaticContact CE2-CD1 3.84Å; Y880-F944 HydrophobicContact CE2-CD1 3.84Å; Y880-F944 HydrophobicContact CE2-CD2 4.05Å; Y880-F944 HydrophobicContact CE2-CE1 4.48Å; Y880-F944 AromaticContact CE2-CG 3.59Å; Y880-F944 HydrophobicContact CE2-CG 3.59Å; D940-F944 WeakPolarHBondContact O-CB 3.24Å; D940-F944 PolarHBondContact O-N 2.91Å; Y941-F944 HydrophobicContact CD2-CD1 4.21Å; Y941-F944 HydrophobicContact CE2-CD1 4.24Å; Y941-F944 PolarHBondContact O-N 3.37Å; R942-F944 PolarHBondContact O-N 3.2Å; F944-T947 PolarHBondContact O-N 3.32Å; F944-T948 PolarHBondContact O-N 2.75Å; F944-T948 PolarHBondContact O-OG1 3.41Å; F944-L980 HydrophobicContact CB-CD1 4.11Å; F944-R987 WeakPolarHBondContact CD2-O 3.21Å; F944-H989 AromaticContact CE2-CD2 3.91Å; F944-H989 AromaticContact CE2-CE1 3.51Å; F944-H989 AromaticContact CE2-NE2 3.36Å; F944-H989 WeakPolarHBondContact CE2-NE2 3.43Å; F944-H989 AromaticContact CZ-CE1 3.74Å; F944-H989 AromaticContact CZ-NE2 3.84Å
945	R	93.8	Very high	93.1	Very high	58 Å²	58	36 Å²	36	22%	0.219	16%	0.159	C	C	.	.	H	α-helix	trans	-63.2	-43.8	174.7	-71.7	-173.9	64.7	167.1	4.8	112.4	Y941 R942 T948 M949 T1103	Y941-R945 HydrophobicContact CE1-CG 4.34Å; Y941-R945 HydrophobicContact CE2-CG 4.35Å; Y941-R945 PolarHBondContact O-N 2.75Å; Y941-R945 VanDerWaalsContact O-N 3.09Å; R942-R945 WeakPolarHBondContact O-CB 3.45Å; R942-R945 PolarHBondContact O-N 2.84Å; R942-R945 VanDerWaalsContact O-N 3.11Å; R945-T948 VanDerWaalsContact O-CB 3.27Å; R945-T948 WeakPolarHBondContact O-CB 3.37Å; R945-T948 PolarHBondContact O-N 3.28Å; R945-M949 WeakPolarHBondContact O-CG 3.48Å; R945-M949 PolarHBondContact O-N 2.89Å; R945-T1103 PolarHBondContact NH1-OG1 3.47Å; R945-T1103 PolarHBondContact NH2-OG1 3.23Å
946	E	93.2	Very high	93.3	Very high	85 Å²	85	33 Å²	33	40%	0.397	15%	0.145	S	C	.	.	H	α-helix	trans	-61	-45.7	175.9	-70.6	166.3	-177.5	0	0	111.4	R942 K943 T948 M949 Y950 L1098	R942-E946 WeakPolarHBondContact O-CG 3.37Å; R942-E946 PolarHBondContact O-N 2.83Å; K943-E946 PolarHBondContact O-N 3.33Å; E946-T948 VanDerWaalsContact C-N 3.26Å; E946-T948 PolarHBondContact O-N 3.16Å; E946-M949 WeakPolarHBondContact O-CA 3.2Å; E946-M949 WeakPolarHBondContact O-CB 3.41Å; E946-M949 PolarHBondContact O-N 2.65Å; E946-Y950 HydrophobicContact CB-CE2 4.23Å; E946-Y950 WeakPolarHBondContact O-CD2 3.24Å; E946-Y950 PolarHBondContact O-N 3.48Å; E946-L1098 HydrophobicContact CB-CD1 3.89Å; E946-L1098 HydrophobicContact CG-CD1 3.96Å
947	T	93.9	Very high	93.4	Very high	0 Å²	0	28 Å²	28	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-55.4	-42.4	173.5	-55.4	0	0	0	0	111.4	K943 F944 M949 Y950 L951 N976 N977	K943-T947 WeakPolarHBondContact O-CB 3.37Å; K943-T947 PolarHBondContact O-N 3.32Å; K943-T947 PolarHBondContact O-OG1 2.75Å; F944-T947 PolarHBondContact O-N 3.32Å; T947-M949 VanDerWaalsContact C-N 3.33Å; T947-M949 PolarHBondContact O-N 2.95Å; T947-Y950 PolarHBondContact O-N 2.83Å; T947-L951 WeakPolarHBondContact O-CB 3.46Å; T947-L951 PolarHBondContact O-N 3.05Å; T947-N976 HydrophobicContact CG2-CB 4.41Å; T947-N976 VanDerWaalsContact OG1-CB 3.23Å; T947-N976 WeakPolarHBondContact OG1-CB 3.25Å; T947-N977 HydrophobicContact CG2-CB 3.91Å
948	T	94	Very high	93.3	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-62.1	-40.5	174.9	-44.8	0	0	0	0	111.8	L874 F944 R945 E946 L951 I952 H989 L1106 F1110	L874-T948 HydrophobicContact CD1-CG2 3.83Å; L874-T948 HydrophobicContact CD2-CG2 3.67Å; L874-T948 WeakPolarHBondContact CD2-OG1 3.23Å; L874-T948 HydrophobicContact CG-CG2 4.41Å; F944-T948 PolarHBondContact O-N 2.75Å; F944-T948 PolarHBondContact O-OG1 3.41Å; R945-T948 VanDerWaalsContact O-CB 3.27Å; R945-T948 WeakPolarHBondContact O-CB 3.37Å; R945-T948 PolarHBondContact O-N 3.28Å; E946-T948 VanDerWaalsContact C-N 3.26Å; E946-T948 PolarHBondContact O-N 3.16Å; T948-L951 PolarHBondContact O-N 3.05Å; T948-I952 HydrophobicContact CG2-CD1 3.94Å; T948-I952 WeakPolarHBondContact O-CD1 3.4Å; T948-I952 VanDerWaalsContact O-CG1 3.26Å; T948-I952 WeakPolarHBondContact O-CG1 3.24Å; T948-I952 PolarHBondContact O-N 3.33Å; T948-H989 PolarHBondContact OG1-NE2 3.23Å; T948-L1106 HydrophobicContact CG2-CD1 4.3Å; T948-F1110 HydrophobicContact CG2-CD2 3.66Å; T948-F1110 HydrophobicContact CG2-CE2 4.09Å
949	M	94.1	Very high	93.1	Very high	20 Å²	20	31.2 Å²	31.2	10%	0.099	14%	0.138	C	C	.	.	H	α-helix	trans	-70.6	-41.1	179.6	-66.9	164.4	65.8	0	0	111.8	R945 E946 T947 L951 I953 L1098 P1099 Y1101 L1106	R945-M949 WeakPolarHBondContact O-CG 3.48Å; R945-M949 PolarHBondContact O-N 2.89Å; E946-M949 WeakPolarHBondContact O-CA 3.2Å; E946-M949 WeakPolarHBondContact O-CB 3.41Å; E946-M949 PolarHBondContact O-N 2.65Å; T947-M949 VanDerWaalsContact C-N 3.33Å; T947-M949 PolarHBondContact O-N 2.95Å; M949-L951 VanDerWaalsContact C-N 3.34Å; M949-I953 WeakPolarHBondContact O-CB 3.31Å; M949-I953 WeakPolarHBondContact O-CD1 3.21Å; M949-I953 VanDerWaalsContact O-CG1 3.24Å; M949-I953 WeakPolarHBondContact O-CG1 3.11Å; M949-I953 PolarHBondContact O-N 3.44Å; M949-L1098 HydrophobicContact CB-CD1 4.08Å; M949-L1098 HydrophobicContact CB-CD2 3.85Å; M949-L1098 HydrophobicContact CE-CB 4.09Å; M949-L1098 HydrophobicContact CE-CD1 4.28Å; M949-L1098 HydrophobicContact SD-CD1 4.49Å; M949-P1099 WeakPolarHBondContact CE-O 3.29Å; M949-Y1101 HydrophobicContact CE-CD2 3.93Å; M949-Y1101 HydrophobicContact CE-CE2 4.43Å; M949-Y1101 HydrophobicContact CE-CG 4.34Å; M949-Y1101 HydrophobicContact CG-CD2 4.1Å; M949-L1106 HydrophobicContact CG-CD1 3.58Å; M949-L1106 HydrophobicContact CG-CD2 4.47Å
950	Y	94.3	Very high	93	Very high	18 Å²	18	33.2 Å²	33.2	7%	0.071	14%	0.141	C	C	.	.	H	α-helix	trans	-58.4	-46.1	170.3	-70.7	-65.3	0	0	0	111.1	E946 T947 I953 G954 F969 C972 P1096 L1098	E946-Y950 HydrophobicContact CB-CE2 4.23Å; E946-Y950 WeakPolarHBondContact O-CD2 3.24Å; E946-Y950 PolarHBondContact O-N 3.48Å; T947-Y950 PolarHBondContact O-N 2.83Å; Y950-I953 PolarHBondContact O-N 2.75Å; Y950-G954 PolarHBondContact O-N 3.33Å; Y950-F969 AromaticContact CD1-CD1 3.81Å; Y950-F969 HydrophobicContact CD1-CD1 3.81Å; Y950-F969 HydrophobicContact CD1-CE1 4.46Å; Y950-F969 HydrophobicContact CE1-CD1 4.49Å; Y950-C972 HydrophobicContact CD1-CB 3.82Å; Y950-C972 HydrophobicContact CD2-CB 4.47Å; Y950-C972 HydrophobicContact CE1-CB 4.03Å; Y950-C972 HydrophobicContact CG-CB 4.11Å; Y950-P1096 HydrophobicContact CD1-CG 4.3Å; Y950-P1096 HydrophobicContact CE1-CG 3.95Å; Y950-L1098 HydrophobicContact CD1-CD2 3.72Å; Y950-L1098 HydrophobicContact CD1-CG 4.33Å; Y950-L1098 HydrophobicContact CD2-CD1 4.2Å; Y950-L1098 HydrophobicContact CD2-CD2 4.45Å; Y950-L1098 HydrophobicContact CE1-CD1 4.26Å; Y950-L1098 HydrophobicContact CE1-CD2 3.66Å; Y950-L1098 HydrophobicContact CE1-CG 3.8Å; Y950-L1098 HydrophobicContact CE2-CD1 3.72Å; Y950-L1098 HydrophobicContact CE2-CD2 4.43Å; Y950-L1098 HydrophobicContact CE2-CG 4.19Å; Y950-L1098 HydrophobicContact CG-CD2 4.09Å
951	L	93.6	Very high	92.8	Very high	4 Å²	4	39.3 Å²	39.3	2%	0.021	17%	0.169	C	C	.	.	H	α-helix	trans	-61	-49.5	178.3	-178.7	55.6	0	0	0	112.6	T947 T948 M949 I953 G954 L955 L970 A973 H989 I994	T947-L951 WeakPolarHBondContact O-CB 3.46Å; T947-L951 PolarHBondContact O-N 3.05Å; T948-L951 PolarHBondContact O-N 3.05Å; M949-L951 VanDerWaalsContact C-N 3.34Å; L951-I953 PolarHBondContact O-N 3.2Å; L951-G954 PolarHBondContact O-N 2.91Å; L951-L955 HydrophobicContact CD1-CD1 3.64Å; L951-L955 HydrophobicContact CD1-CG 4Å; L951-L955 HydrophobicContact CG-CD1 3.88Å; L951-L955 WeakPolarHBondContact O-CB 3.21Å; L951-L955 VanDerWaalsContact O-CG 3.26Å; L951-L955 WeakPolarHBondContact O-CG 3.32Å; L951-L955 PolarHBondContact O-N 3.45Å; L951-L970 HydrophobicContact CD1-CD2 4.01Å; L951-A973 HydrophobicContact CB-CB 4.28Å; L951-H989 HydrophobicContact CD2-CB 4.3Å; L951-I994 HydrophobicContact CD1-CD1 4.43Å; L951-I994 HydrophobicContact CD1-CG1 3.93Å; L951-I994 HydrophobicContact CD2-CD1 4.35Å; L951-I994 HydrophobicContact CD2-CG1 4.36Å
952	I	93.9	Very high	92.7	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.005	18%	0.178	C	C	.	.	H	α-helix	trans	-60.7	-46.8	178.7	-68.7	162.4	0	0	0	111.2	T948 L955 E956 L1106 R1109 F1110 I1113	T948-I952 HydrophobicContact CG2-CD1 3.94Å; T948-I952 WeakPolarHBondContact O-CD1 3.4Å; T948-I952 VanDerWaalsContact O-CG1 3.26Å; T948-I952 WeakPolarHBondContact O-CG1 3.24Å; T948-I952 PolarHBondContact O-N 3.33Å; I952-L955 PolarHBondContact O-N 2.72Å; I952-E956 HydrophobicContact CG2-CG 4.33Å; I952-E956 WeakPolarHBondContact O-CB 3.27Å; I952-E956 WeakPolarHBondContact O-CG 3.49Å; I952-E956 PolarHBondContact O-N 3.39Å; I952-L1106 HydrophobicContact CD1-CD1 3.62Å; I952-R1109 HydrophobicContact CG2-CB 4.13Å; I952-F1110 HydrophobicContact CD1-CB 3.91Å; I952-F1110 HydrophobicContact CD1-CD2 4.2Å; I952-F1110 HydrophobicContact CG1-CD2 4.26Å; I952-I1113 HydrophobicContact CG1-CG2 4.19Å
953	I	93.6	Very high	92.6	Very high	14 Å²	14	36.2 Å²	36.2	7%	0.072	16%	0.163	C	C	.	.	H	α-helix	trans	-69.3	-38.1	-176.5	-63.4	165.2	0	0	0	110.9	M949 Y950 L951 N957 F969 L1098 P1099 Y1101	M949-I953 WeakPolarHBondContact O-CB 3.31Å; M949-I953 WeakPolarHBondContact O-CD1 3.21Å; M949-I953 VanDerWaalsContact O-CG1 3.24Å; M949-I953 WeakPolarHBondContact O-CG1 3.11Å; M949-I953 PolarHBondContact O-N 3.44Å; Y950-I953 PolarHBondContact O-N 2.75Å; L951-I953 PolarHBondContact O-N 3.2Å; I953-N957 WeakPolarHBondContact O-CB 3.49Å; I953-N957 VanDerWaalsContact O-CG 3.28Å; I953-N957 PolarHBondContact O-N 3.03Å; I953-N957 PolarHBondContact O-ND2 3.1Å; I953-F969 HydrophobicContact CB-CD1 3.75Å; I953-F969 HydrophobicContact CB-CE1 3.99Å; I953-F969 HydrophobicContact CB-CG 4.23Å; I953-F969 HydrophobicContact CD1-CD1 4.32Å; I953-F969 HydrophobicContact CD1-CE1 3.93Å; I953-F969 HydrophobicContact CG2-CD1 3.58Å; I953-F969 HydrophobicContact CG2-CD2 4Å; I953-F969 HydrophobicContact CG2-CE1 3.51Å; I953-F969 HydrophobicContact CG2-CE2 3.92Å; I953-F969 HydrophobicContact CG2-CG 3.85Å; I953-F969 HydrophobicContact CG2-CZ 3.68Å; I953-L1098 HydrophobicContact CD1-CD2 3.95Å; I953-P1099 HydrophobicContact CD1-CG 4.06Å; I953-Y1101 HydrophobicContact CD1-CE2 4.26Å; I953-Y1101 HydrophobicContact CG1-CE2 4.43Å
954	G	93.4	Very high	92.3	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-56.6	-58.4	171.3	0	0	0	0	0	111.6	Y950 L951 E956 N957 F958 S966	Y950-G954 PolarHBondContact O-N 3.33Å; L951-G954 PolarHBondContact O-N 2.91Å; G954-E956 VanDerWaalsContact C-N 3.35Å; G954-E956 PolarHBondContact O-N 2.84Å; G954-N957 PolarHBondContact O-N 3.12Å; G954-F958 PolarHBondContact O-N 3.37Å; G954-S966 WeakPolarHBondContact O-CB 3.2Å; G954-S966 PolarHBondContact O-OG 3.32Å
955	L	92.6	Very high	91.9	Very high	1 Å²	1	41.3 Å²	41.3	1%	0.005	19%	0.191	C	C	.	.	H	α-helix	trans	-61.4	-36.5	180	-66.8	170	0	0	0	113.6	L951 I952 N957 F958 Q959 L970 Y997 I1113 L1117	L951-L955 HydrophobicContact CD1-CD1 3.64Å; L951-L955 HydrophobicContact CD1-CG 4Å; L951-L955 HydrophobicContact CG-CD1 3.88Å; L951-L955 WeakPolarHBondContact O-CB 3.21Å; L951-L955 VanDerWaalsContact O-CG 3.26Å; L951-L955 WeakPolarHBondContact O-CG 3.32Å; L951-L955 PolarHBondContact O-N 3.45Å; I952-L955 PolarHBondContact O-N 2.72Å; L955-N957 VanDerWaalsContact C-N 3.32Å; L955-F958 PolarHBondContact O-N 3.05Å; L955-Q959 WeakPolarHBondContact O-CG 3.26Å; L955-Q959 PolarHBondContact O-N 3.11Å; L955-Q959 VanDerWaalsContact O-N 3.09Å; L955-L970 HydrophobicContact CG-CD2 4.49Å; L955-Y997 HydrophobicContact CD2-CD1 3.95Å; L955-Y997 HydrophobicContact CD2-CD2 3.47Å; L955-Y997 VanDerWaalsContact CD2-CD2 3.47Å; L955-Y997 HydrophobicContact CD2-CE1 4.4Å; L955-Y997 HydrophobicContact CD2-CE2 3.96Å; L955-Y997 HydrophobicContact CD2-CG 3.49Å; L955-Y997 VanDerWaalsContact CD2-CG 3.49Å; L955-I1113 HydrophobicContact CB-CD1 3.98Å; L955-I1113 HydrophobicContact CB-CG1 3.55Å; L955-I1113 HydrophobicContact CD1-CG1 4.16Å; L955-I1113 HydrophobicContact CD1-CG2 4.48Å; L955-L1117 HydrophobicContact CD1-CD1 3.97Å; L955-L1117 HydrophobicContact CD2-CD1 4.13Å
956	E	92.6	Very high	91.8	Very high	24 Å²	24	38.5 Å²	38.5	11%	0.112	18%	0.181	C	C	.	.	H	α-helix	trans	-65	-33.7	173	-83.7	-170.7	-153.1	0	0	112.6	I952 G954 R960 R1109 I1113	I952-E956 HydrophobicContact CG2-CG 4.33Å; I952-E956 WeakPolarHBondContact O-CB 3.27Å; I952-E956 WeakPolarHBondContact O-CG 3.49Å; I952-E956 PolarHBondContact O-N 3.39Å; G954-E956 VanDerWaalsContact C-N 3.35Å; G954-E956 PolarHBondContact O-N 2.84Å; E956-R960 WeakPolarHBondContact O-CD 3.38Å; E956-R960 VanDerWaalsContact O-CG 3.29Å; E956-R960 WeakPolarHBondContact O-CG 3.38Å; E956-R960 IonicContact OE2-CZ 3.74Å; E956-R960 IonicContact OE2-NH1 2.62Å; E956-R960 IonicContact OE2-NH2 2.63Å; E956-R960 PolarHBondContact OE2-NH2 3.01Å; E956-R1109 IonicContact OE1-CZ 3.94Å; E956-R1109 VanDerWaalsContact OE1-CZ 3.27Å; E956-R1109 IonicContact OE1-NE 3.26Å; E956-R1109 PolarHBondContact OE1-NE 2.98Å; E956-R1109 IonicContact OE1-NH2 3.75Å; E956-R1109 PolarHBondContact OE1-NH2 3.44Å; E956-R1109 IonicContact OE2-CZ 2.84Å; E956-R1109 IonicContact OE2-NH2 3.61Å; E956-R1109 PolarHBondContact OE2-NH2 3.32Å; E956-I1113 HydrophobicContact CG-CD1 4.02Å
957	N	91.8	Very high	91.6	Very high	20 Å²	20	34.6 Å²	34.6	11%	0.107	16%	0.162	C	C	.	.	H	α-helix	trans	-79.6	-34	176.6	-72	-18.5	0	0	0	111.9	I953 G954 L955 Q959 R960 E961 S962 D965	I953-N957 WeakPolarHBondContact O-CB 3.49Å; I953-N957 VanDerWaalsContact O-CG 3.28Å; I953-N957 PolarHBondContact O-N 3.03Å; I953-N957 PolarHBondContact O-ND2 3.1Å; G954-N957 PolarHBondContact O-N 3.12Å; L955-N957 VanDerWaalsContact C-N 3.32Å; N957-Q959 VanDerWaalsContact C-N 3.33Å; N957-Q959 PolarHBondContact O-N 2.96Å; N957-R960 CarbonylContact O-C 3.56Å; N957-R960 WeakPolarHBondContact O-CA 3.17Å; N957-R960 PolarHBondContact O-N 3.13Å; N957-R960 PolarHBondContact OD1-NH1 3.45Å; N957-R960 VanDerWaalsContact OD1-NH1 3.08Å; N957-E961 PolarHBondContact O-N 3.05Å; N957-S962 PolarHBondContact O-N 2.87Å; N957-S962 VanDerWaalsContact O-N 3.1Å; N957-D965 HydrophobicContact CB-CB 4.28Å
958	F	91.8	Very high	91.3	Very high	33 Å²	33	37 Å²	37	15%	0.145	18%	0.175	C	C	.	.	H	α-helix	trans	-56.5	-47	169.9	-169.7	-90.9	0	0	0	111.1	G954 L955 R960 E961 Y963 S966 Y997 E1000	G954-F958 PolarHBondContact O-N 3.37Å; L955-F958 PolarHBondContact O-N 3.05Å; F958-R960 PolarHBondContact O-N 3.43Å; F958-R960 VanDerWaalsContact O-N 3.13Å; F958-E961 PolarHBondContact O-N 3.01Å; F958-Y963 AromaticContact CD2-CD1 3.89Å; F958-Y963 HydrophobicContact CD2-CD1 3.89Å; F958-Y963 AromaticContact CD2-CE1 3.99Å; F958-Y963 HydrophobicContact CD2-CE1 3.99Å; F958-Y963 AromaticContact CE2-CD1 3.95Å; F958-Y963 HydrophobicContact CE2-CD1 3.95Å; F958-Y963 AromaticContact CE2-CE1 3.83Å; F958-Y963 HydrophobicContact CE2-CE1 3.83Å; F958-Y963 HydrophobicContact CZ-CE1 4.22Å; F958-S966 WeakPolarHBondContact CB-OG 3.42Å; F958-Y997 AromaticContact CD1-CD1 3.92Å; F958-Y997 HydrophobicContact CD1-CD1 3.92Å; F958-Y997 AromaticContact CD1-CE1 3.98Å; F958-Y997 HydrophobicContact CD1-CE1 3.98Å; F958-Y997 HydrophobicContact CD2-CD1 4.22Å; F958-Y997 AromaticContact CE1-CD1 3.83Å; F958-Y997 HydrophobicContact CE1-CD1 3.83Å; F958-Y997 AromaticContact CE1-CE1 3.73Å; F958-Y997 HydrophobicContact CE1-CE1 3.73Å; F958-Y997 HydrophobicContact CE2-CD1 4.14Å; F958-Y997 HydrophobicContact CG-CD1 4.12Å; F958-Y997 AromaticContact CZ-CD1 3.95Å; F958-Y997 HydrophobicContact CZ-CD1 3.95Å; F958-Y997 HydrophobicContact CZ-CE1 4.18Å; F958-E1000 HydrophobicContact CE2-CB 3.66Å; F958-E1000 HydrophobicContact CZ-CB 3.72Å; F958-E1000 HydrophobicContact CZ-CG 4.45Å
959	Q	88.5	Confident	91.2	Very high	87 Å²	87	38.2 Å²	38.2	41%	0.407	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-5.6	176.1	-70.2	-179.7	15.4	0	0	114.5	L955 N957 I1113 S1116	L955-Q959 WeakPolarHBondContact O-CG 3.26Å; L955-Q959 PolarHBondContact O-N 3.11Å; L955-Q959 VanDerWaalsContact O-N 3.09Å; N957-Q959 VanDerWaalsContact C-N 3.33Å; N957-Q959 PolarHBondContact O-N 2.96Å; Q959-I1113 VanDerWaalsContact NE2-CD1 3.33Å; Q959-S1116 PolarHBondContact NE2-OG 2.87Å; Q959-S1116 PolarHBondContact OE1-OG 3.27Å
960	R	90.4	Very high	91.1	Very high	155 Å²	155	37.3 Å²	37.3	59%	0.585	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-107.7	8.4	172.6	-65.6	169.7	-169.9	142.3	10.1	112.5	E956 N957 F958 S962	E956-R960 WeakPolarHBondContact O-CD 3.38Å; E956-R960 VanDerWaalsContact O-CG 3.29Å; E956-R960 WeakPolarHBondContact O-CG 3.38Å; E956-R960 IonicContact OE2-CZ 3.74Å; E956-R960 IonicContact OE2-NH1 2.62Å; E956-R960 IonicContact OE2-NH2 2.63Å; E956-R960 PolarHBondContact OE2-NH2 3.01Å; N957-R960 CarbonylContact O-C 3.56Å; N957-R960 WeakPolarHBondContact O-CA 3.17Å; N957-R960 PolarHBondContact O-N 3.13Å; N957-R960 PolarHBondContact OD1-NH1 3.45Å; N957-R960 VanDerWaalsContact OD1-NH1 3.08Å; F958-R960 PolarHBondContact O-N 3.43Å; F958-R960 VanDerWaalsContact O-N 3.13Å; R960-S962 PolarHBondContact O-N 3.11Å; R960-S962 VanDerWaalsContact O-N 3.11Å
961	E	88.9	Confident	90.8	Very high	140 Å²	140	36.6 Å²	36.6	65%	0.654	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.8	13.6	-176.7	-52.8	178	173	0	0	114.2	N957 F958 Y963	N957-E961 PolarHBondContact O-N 3.05Å; F958-E961 PolarHBondContact O-N 3.01Å; E961-Y963 VanDerWaalsContact C-N 3.28Å; E961-Y963 HydrophobicContact CB-CE2 3.96Å; E961-Y963 WeakPolarHBondContact O-CD2 3.48Å; E961-Y963 WeakPolarHBondContact O-CE2 2.98Å; E961-Y963 PolarHBondContact O-N 2.78Å
962	S	90.9	Very high	90.6	Very high	38 Å²	38	36.7 Å²	36.7	27%	0.266	17%	0.174	S	C	.	.			trans	-85.3	73.4	171.2	-164.9	0	0	0	0	110	N957 R960 I964 D965 S966	N957-S962 PolarHBondContact O-N 2.87Å; N957-S962 VanDerWaalsContact O-N 3.1Å; R960-S962 PolarHBondContact O-N 3.11Å; R960-S962 VanDerWaalsContact O-N 3.11Å; S962-I964 VanDerWaalsContact C-N 3.28Å; S962-I964 PolarHBondContact O-N 3.42Å; S962-D965 PolarHBondContact O-N 2.93Å; S962-D965 PolarHBondContact OG-OD2 3.44Å; S962-S966 VanDerWaalsContact O-CB 3.27Å; S962-S966 WeakPolarHBondContact O-CB 3.2Å; S962-S966 PolarHBondContact O-N 2.88Å
963	Y	90.8	Very high	90.6	Very high	29 Å²	29	36.6 Å²	36.6	11%	0.114	17%	0.174	C	C	.	.	H	α-helix	trans	-66.1	-28.9	-174.9	-55.2	-69.8	0	0	0	113	F958 E961 L967 C1001 K1004	F958-Y963 AromaticContact CD2-CD1 3.89Å; F958-Y963 HydrophobicContact CD2-CD1 3.89Å; F958-Y963 AromaticContact CD2-CE1 3.99Å; F958-Y963 HydrophobicContact CD2-CE1 3.99Å; F958-Y963 AromaticContact CE2-CD1 3.95Å; F958-Y963 HydrophobicContact CE2-CD1 3.95Å; F958-Y963 AromaticContact CE2-CE1 3.83Å; F958-Y963 HydrophobicContact CE2-CE1 3.83Å; F958-Y963 HydrophobicContact CZ-CE1 4.22Å; E961-Y963 VanDerWaalsContact C-N 3.28Å; E961-Y963 HydrophobicContact CB-CE2 3.96Å; E961-Y963 WeakPolarHBondContact O-CD2 3.48Å; E961-Y963 WeakPolarHBondContact O-CE2 2.98Å; E961-Y963 PolarHBondContact O-N 2.78Å; Y963-L967 VanDerWaalsContact O-CB 3.26Å; Y963-L967 WeakPolarHBondContact O-CB 3.14Å; Y963-L967 PolarHBondContact O-N 3.03Å; Y963-C1001 PolarHBondContact O-SG 2.88Å; Y963-C1001 VanDerWaalsContact O-SG 3.37Å; Y963-K1004 HydrophobicContact CD1-CB 3.84Å; Y963-K1004 HydrophobicContact CD1-CG 4.16Å; Y963-K1004 HydrophobicContact CD2-CB 3.83Å; Y963-K1004 HydrophobicContact CE1-CB 3.86Å; Y963-K1004 HydrophobicContact CE1-CG 3.76Å; Y963-K1004 HydrophobicContact CE2-CB 3.86Å; Y963-K1004 HydrophobicContact CE2-CG 4.34Å; Y963-K1004 HydrophobicContact CG-CB 3.83Å
964	I	86.8	Confident	90.4	Very high	59 Å²	59	36.8 Å²	36.8	30%	0.303	17%	0.173	S	C	.	.	H	α-helix	trans	-64	-53.3	175.9	-59.6	174.6	0	0	0	110.4	S962 L968 L1005 F1031	S962-I964 VanDerWaalsContact C-N 3.28Å; S962-I964 PolarHBondContact O-N 3.42Å; I964-L968 PolarHBondContact O-N 3.34Å; I964-L1005 HydrophobicContact CB-CD2 4.49Å; I964-L1005 HydrophobicContact CD1-CD2 4.42Å; I964-L1005 HydrophobicContact CG1-CD1 4.46Å; I964-L1005 HydrophobicContact CG1-CD2 3.46Å; I964-L1005 VanDerWaalsContact CG1-CD2 3.46Å; I964-F1031 HydrophobicContact CG2-CD1 3.58Å; I964-F1031 HydrophobicContact CG2-CE1 3.55Å; I964-F1031 HydrophobicContact CG2-CG 4.13Å; I964-F1031 HydrophobicContact CG2-CZ 4.1Å
965	D	86.7	Confident	90.2	Very high	81 Å²	81	40.6 Å²	40.6	43%	0.433	19%	0.191	S	C	.	.	H	α-helix	trans	-61.1	-49	177.1	-65.9	-49.1	0	0	0	109.9	N957 S962 L967 L968 F969	N957-D965 HydrophobicContact CB-CB 4.28Å; S962-D965 PolarHBondContact O-N 2.93Å; S962-D965 PolarHBondContact OG-OD2 3.44Å; D965-L967 PolarHBondContact O-N 2.82Å; D965-L968 WeakPolarHBondContact O-CB 3.32Å; D965-L968 PolarHBondContact O-N 3.35Å; D965-L968 VanDerWaalsContact O-N 3.16Å; D965-F969 WeakPolarHBondContact O-CD2 3.38Å; D965-F969 PolarHBondContact O-N 2.88Å
966	S	91.9	Very high	90.1	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-53.8	-48.8	-178.3	175.3	0	0	0	0	112.5	G954 F958 S962 L968 F969 L970 C1001	G954-S966 WeakPolarHBondContact O-CB 3.2Å; G954-S966 PolarHBondContact O-OG 3.32Å; F958-S966 WeakPolarHBondContact CB-OG 3.42Å; S962-S966 VanDerWaalsContact O-CB 3.27Å; S962-S966 WeakPolarHBondContact O-CB 3.2Å; S962-S966 PolarHBondContact O-N 2.88Å; S966-L968 VanDerWaalsContact C-N 3.29Å; S966-L968 PolarHBondContact O-N 3.14Å; S966-F969 PolarHBondContact O-N 2.69Å; S966-L970 WeakPolarHBondContact O-CB 3.3Å; S966-L970 VanDerWaalsContact O-CG 3.28Å; S966-L970 WeakPolarHBondContact O-CG 3.28Å; S966-L970 PolarHBondContact O-N 2.78Å; S966-L970 WeakPolarHBondContact OG-CD1 3.25Å; S966-C1001 WeakPolarHBondContact CB-SG 3.4Å; S966-C1001 PolarHBondContact OG-SG 3.19Å
967	L	89.6	Confident	90.1	Very high	2 Å²	2	41 Å²	41	1%	0.01	19%	0.194	C	C	.	.	H	α-helix	trans	-58.2	-42.3	-179.8	179.6	58.1	0	0	0	111.8	Y963 D965 F969 L970 I971 R998 C1001 L1002 L1005 F1031 F1035	Y963-L967 VanDerWaalsContact O-CB 3.26Å; Y963-L967 WeakPolarHBondContact O-CB 3.14Å; Y963-L967 PolarHBondContact O-N 3.03Å; D965-L967 PolarHBondContact O-N 2.82Å; L967-F969 PolarHBondContact O-N 3.24Å; L967-L970 PolarHBondContact O-N 2.85Å; L967-I971 HydrophobicContact CD1-CD1 3.69Å; L967-I971 HydrophobicContact CD1-CG1 3.9Å; L967-I971 HydrophobicContact CG-CD1 3.81Å; L967-I971 HydrophobicContact CG-CG1 4.43Å; L967-I971 WeakPolarHBondContact O-CG1 3.36Å; L967-I971 PolarHBondContact O-N 3.43Å; L967-R998 HydrophobicContact CD1-CG 4.31Å; L967-C1001 HydrophobicContact CB-CB 3.94Å; L967-C1001 HydrophobicContact CD1-CB 3.96Å; L967-C1001 HydrophobicContact CG-CB 4.45Å; L967-C1001 PolarHBondContact N-SG 3.35Å; L967-C1001 VanDerWaalsContact N-SG 3.44Å; L967-L1002 HydrophobicContact CD1-CD1 4.3Å; L967-L1002 HydrophobicContact CD1-CD2 4.35Å; L967-L1002 HydrophobicContact CD1-CG 3.91Å; L967-L1002 HydrophobicContact CD2-CD2 3.54Å; L967-L1002 HydrophobicContact CD2-CG 3.94Å; L967-L1005 HydrophobicContact CB-CD1 4.42Å; L967-L1005 HydrophobicContact CD2-CD1 3.74Å; L967-F1031 WeakPolarHBondContact CD2-O 3.41Å; L967-F1035 HydrophobicContact CD2-CD2 3.9Å; L967-F1035 HydrophobicContact CD2-CE2 4.28Å; L967-F1035 HydrophobicContact CG-CD2 4.44Å
968	L	88.2	Confident	90	Very high	52 Å²	52	43.5 Å²	43.5	27%	0.272	20%	0.204	S	C	.	.	H	α-helix	trans	-60.8	-45.7	-179.5	-144.3	79.5	0	0	0	111.8	I964 D965 S966 C972 F1035 F1092 P1096	I964-L968 PolarHBondContact O-N 3.34Å; D965-L968 WeakPolarHBondContact O-CB 3.32Å; D965-L968 PolarHBondContact O-N 3.35Å; D965-L968 VanDerWaalsContact O-N 3.16Å; S966-L968 VanDerWaalsContact C-N 3.29Å; S966-L968 PolarHBondContact O-N 3.14Å; L968-C972 PolarHBondContact O-N 2.99Å; L968-C972 PolarHBondContact O-SG 3.45Å; L968-F1035 HydrophobicContact CD1-CZ 4.42Å; L968-F1092 HydrophobicContact CD1-CE1 3.65Å; L968-F1092 HydrophobicContact CD1-CZ 4.1Å; L968-F1092 HydrophobicContact CG-CE1 3.92Å; L968-P1096 HydrophobicContact CD2-CB 4.29Å; L968-P1096 HydrophobicContact CD2-CG 4.43Å
969	F	91.5	Very high	89.9	Confident	25 Å²	25	45.8 Å²	45.8	11%	0.11	22%	0.216	C	C	.	.	H	α-helix	trans	-71.1	-38.1	176.8	-76.2	-96.4	0	0	0	111.8	Y950 I953 D965 S966 L967 C972 A973 P1096 L1098	Y950-F969 AromaticContact CD1-CD1 3.81Å; Y950-F969 HydrophobicContact CD1-CD1 3.81Å; Y950-F969 HydrophobicContact CD1-CE1 4.46Å; Y950-F969 HydrophobicContact CE1-CD1 4.49Å; I953-F969 HydrophobicContact CB-CD1 3.75Å; I953-F969 HydrophobicContact CB-CE1 3.99Å; I953-F969 HydrophobicContact CB-CG 4.23Å; I953-F969 HydrophobicContact CD1-CD1 4.32Å; I953-F969 HydrophobicContact CD1-CE1 3.93Å; I953-F969 HydrophobicContact CG2-CD1 3.58Å; I953-F969 HydrophobicContact CG2-CD2 4Å; I953-F969 HydrophobicContact CG2-CE1 3.51Å; I953-F969 HydrophobicContact CG2-CE2 3.92Å; I953-F969 HydrophobicContact CG2-CG 3.85Å; I953-F969 HydrophobicContact CG2-CZ 3.68Å; D965-F969 WeakPolarHBondContact O-CD2 3.38Å; D965-F969 PolarHBondContact O-N 2.88Å; S966-F969 PolarHBondContact O-N 2.69Å; L967-F969 PolarHBondContact O-N 3.24Å; F969-C972 PolarHBondContact O-N 3.2Å; F969-A973 PolarHBondContact O-N 3.3Å; F969-P1096 HydrophobicContact CD1-CB 4.4Å; F969-P1096 HydrophobicContact CD1-CG 4.09Å; F969-P1096 HydrophobicContact CD2-CB 4.37Å; F969-P1096 HydrophobicContact CD2-CG 4.33Å; F969-P1096 HydrophobicContact CE1-CB 3.94Å; F969-P1096 HydrophobicContact CE1-CG 4.11Å; F969-P1096 HydrophobicContact CE2-CB 3.93Å; F969-P1096 HydrophobicContact CE2-CG 4.37Å; F969-P1096 HydrophobicContact CG-CG 4.19Å; F969-P1096 HydrophobicContact CZ-CB 3.69Å; F969-P1096 HydrophobicContact CZ-CG 4.27Å; F969-L1098 HydrophobicContact CE1-CD2 4.36Å
970	L	91.6	Very high	90.1	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-69	-35.8	-179.8	-70.7	171.8	0	0	0	113.5	L951 L955 S966 L967 A973 Y974	L951-L970 HydrophobicContact CD1-CD2 4.01Å; L955-L970 HydrophobicContact CG-CD2 4.49Å; S966-L970 WeakPolarHBondContact O-CB 3.3Å; S966-L970 VanDerWaalsContact O-CG 3.28Å; S966-L970 WeakPolarHBondContact O-CG 3.28Å; S966-L970 PolarHBondContact O-N 2.78Å; S966-L970 WeakPolarHBondContact OG-CD1 3.25Å; L967-L970 PolarHBondContact O-N 2.85Å; L970-A973 WeakPolarHBondContact O-CB 3.25Å; L970-A973 PolarHBondContact O-N 2.85Å; L970-Y974 PolarHBondContact O-N 3.12Å
971	I	88.3	Confident	90.1	Very high	4 Å²	4	35.8 Å²	35.8	2%	0.021	18%	0.176	C	C	.	.	H	α-helix	trans	-66	-43.2	173.5	-64.1	163.8	0	0	0	110.3	L967 A973 Y974 Q975 R998 F1035 L1038 F1092	L967-I971 HydrophobicContact CD1-CD1 3.69Å; L967-I971 HydrophobicContact CD1-CG1 3.9Å; L967-I971 HydrophobicContact CG-CD1 3.81Å; L967-I971 HydrophobicContact CG-CG1 4.43Å; L967-I971 WeakPolarHBondContact O-CG1 3.36Å; L967-I971 PolarHBondContact O-N 3.43Å; I971-A973 VanDerWaalsContact C-N 3.3Å; I971-A973 PolarHBondContact O-N 2.65Å; I971-Y974 PolarHBondContact O-N 2.69Å; I971-Q975 HydrophobicContact CG2-CG 4.28Å; I971-Q975 WeakPolarHBondContact O-CG 3.44Å; I971-Q975 PolarHBondContact O-N 3.45Å; I971-R998 HydrophobicContact CG1-CG 4.44Å; I971-F1035 HydrophobicContact CD1-CB 4.15Å; I971-F1035 HydrophobicContact CD1-CD1 3.86Å; I971-F1035 HydrophobicContact CD1-CD2 3.79Å; I971-F1035 HydrophobicContact CD1-CE1 4.16Å; I971-F1035 HydrophobicContact CD1-CE2 4.1Å; I971-F1035 HydrophobicContact CD1-CG 3.66Å; I971-F1035 HydrophobicContact CD1-CZ 4.28Å; I971-L1038 HydrophobicContact CG2-CD1 3.88Å; I971-F1092 HydrophobicContact CB-CE2 4.26Å; I971-F1092 HydrophobicContact CB-CZ 4.35Å; I971-F1092 HydrophobicContact CD1-CE2 4.42Å; I971-F1092 HydrophobicContact CD1-CZ 4.25Å; I971-F1092 HydrophobicContact CG2-CD2 4.44Å; I971-F1092 HydrophobicContact CG2-CE2 3.65Å; I971-F1092 HydrophobicContact CG2-CZ 4.24Å
972	C	89.8	Confident	90.1	Very high	5 Å²	5	33.7 Å²	33.7	3%	0.034	18%	0.177	C	C	.	.	H	α-helix	trans	-65.2	-32.5	174.7	-66.8	0	0	0	0	112.7	Y950 L968 F969 N976 P1096	Y950-C972 HydrophobicContact CD1-CB 3.82Å; Y950-C972 HydrophobicContact CD2-CB 4.47Å; Y950-C972 HydrophobicContact CE1-CB 4.03Å; Y950-C972 HydrophobicContact CG-CB 4.11Å; L968-C972 PolarHBondContact O-N 2.99Å; L968-C972 PolarHBondContact O-SG 3.45Å; F969-C972 PolarHBondContact O-N 3.2Å; C972-N976 WeakPolarHBondContact O-CB 3.32Å; C972-N976 PolarHBondContact O-N 2.34Å; C972-N976 PolarHBondContact O-ND2 2.86Å; C972-P1096 VanDerWaalsContact SG-CD 3.53Å
973	A	92.3	Very high	90	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-63.1	-52.5	169.7	0	0	0	0	0	110.6	L951 F969 L970 I971 Q975 N976 N977 I994	L951-A973 HydrophobicContact CB-CB 4.28Å; F969-A973 PolarHBondContact O-N 3.3Å; L970-A973 WeakPolarHBondContact O-CB 3.25Å; L970-A973 PolarHBondContact O-N 2.85Å; I971-A973 VanDerWaalsContact C-N 3.3Å; I971-A973 PolarHBondContact O-N 2.65Å; A973-Q975 PolarHBondContact O-N 2.85Å; A973-N976 PolarHBondContact O-N 3.47Å; A973-N977 VanDerWaalsContact O-CB 3.24Å; A973-N977 WeakPolarHBondContact O-CB 3.44Å; A973-N977 PolarHBondContact O-N 3.19Å; A973-I994 HydrophobicContact CB-CD1 4.44Å; A973-I994 HydrophobicContact CB-CG2 4.26Å
974	Y	89.8	Confident	89.8	Confident	17 Å²	17	35.7 Å²	35.7	7%	0.067	19%	0.188	C	C	.	.	H	α-helix	trans	-57.6	-50.1	-178.7	-175.9	-92.5	0	0	0	112.7	L970 I971 N976 N977 K978 E991 I994 S995 R998	L970-Y974 PolarHBondContact O-N 3.12Å; I971-Y974 PolarHBondContact O-N 2.69Å; Y974-N976 PolarHBondContact O-N 2.88Å; Y974-N977 WeakPolarHBondContact O-CB 3.47Å; Y974-N977 PolarHBondContact O-N 2.94Å; Y974-N977 VanDerWaalsContact O-N 3.15Å; Y974-K978 HydrophobicContact CE1-CD 4.05Å; Y974-K978 WeakPolarHBondContact O-CB 3.44Å; Y974-K978 PolarHBondContact O-N 2.86Å; Y974-E991 HydrophobicContact CE2-CG 3.86Å; Y974-I994 HydrophobicContact CD2-CB 4.48Å; Y974-I994 HydrophobicContact CD2-CG2 4.25Å; Y974-S995 WeakPolarHBondContact CE2-OG 3.42Å; Y974-R998 VanDerWaalsContact CG-NH1 3.27Å; Y974-R998 VanDerWaalsContact CZ-NH1 3.33Å
975	Q	88.8	Confident	89.6	Confident	80 Å²	80	39.7 Å²	39.7	37%	0.374	21%	0.21	S	C	.	.	H	α-helix	trans	-61.2	-43	-178.4	-72	176.3	-13.3	0	0	112.3	I971 A973 E979	I971-Q975 HydrophobicContact CG2-CG 4.28Å; I971-Q975 WeakPolarHBondContact O-CG 3.44Å; I971-Q975 PolarHBondContact O-N 3.45Å; A973-Q975 PolarHBondContact O-N 2.85Å; Q975-E979 PolarHBondContact O-N 2.88Å
976	N	91.1	Very high	89.6	Confident	34 Å²	34	42.7 Å²	42.7	18%	0.182	22%	0.216	C	C	.	.	H	α-helix	trans	-69.8	-36.1	175.5	-72.1	-51.5	0	0	0	112	K943 T947 C972 A973 Y974 E979 L980	K943-N976 WeakPolarHBondContact CE-OD1 3.37Å; K943-N976 HydrophobicContact CG-CB 4.42Å; K943-N976 PolarHBondContact NZ-OD1 3.02Å; T947-N976 HydrophobicContact CG2-CB 4.41Å; T947-N976 VanDerWaalsContact OG1-CB 3.23Å; T947-N976 WeakPolarHBondContact OG1-CB 3.25Å; C972-N976 WeakPolarHBondContact O-CB 3.32Å; C972-N976 PolarHBondContact O-N 2.34Å; C972-N976 PolarHBondContact O-ND2 2.86Å; A973-N976 PolarHBondContact O-N 3.47Å; Y974-N976 PolarHBondContact O-N 2.88Å; N976-E979 PolarHBondContact O-N 3.37Å; N976-L980 WeakPolarHBondContact O-CG 3.2Å; N976-L980 PolarHBondContact O-N 3.08Å; N976-L980 VanDerWaalsContact O-N 3.16Å
977	N	93.3	Very high	89.5	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-64.1	-45.8	178.3	-161	51.4	0	0	0	112	T947 A973 Y974 E979 L980 L981 G988 H989 I994	T947-N977 HydrophobicContact CG2-CB 3.91Å; A973-N977 VanDerWaalsContact O-CB 3.24Å; A973-N977 WeakPolarHBondContact O-CB 3.44Å; A973-N977 PolarHBondContact O-N 3.19Å; Y974-N977 WeakPolarHBondContact O-CB 3.47Å; Y974-N977 PolarHBondContact O-N 2.94Å; Y974-N977 VanDerWaalsContact O-N 3.15Å; N977-E979 VanDerWaalsContact C-N 3.32Å; N977-E979 PolarHBondContact O-N 3.16Å; N977-L980 WeakPolarHBondContact O-CB 3.32Å; N977-L980 PolarHBondContact O-N 3.47Å; N977-L981 WeakPolarHBondContact ND2-CD1 3.3Å; N977-L981 WeakPolarHBondContact O-CG 3.49Å; N977-L981 PolarHBondContact O-N 2.9Å; N977-G988 WeakPolarHBondContact OD1-CA 3.3Å; N977-H989 PolarHBondContact ND2-O 3.13Å; N977-H989 PolarHBondContact OD1-N 3.48Å; N977-H989 PolarHBondContact OD1-O 2.59Å; N977-I994 HydrophobicContact CB-CD1 3.97Å
978	K	89	Confident	89.5	Confident	72 Å²	72	44.5 Å²	44.5	31%	0.313	22%	0.224	S	C	.	.	H	α-helix	trans	-60.6	-38.8	178.9	-169.3	177.2	-176.5	-174.6	0	112.5	Y974 S982 D1042	Y974-K978 HydrophobicContact CE1-CD 4.05Å; Y974-K978 WeakPolarHBondContact O-CB 3.44Å; Y974-K978 PolarHBondContact O-N 2.86Å; K978-S982 WeakPolarHBondContact O-CB 3.27Å; K978-S982 PolarHBondContact O-N 3.15Å; K978-D1042 IonicContact NZ-OD1 3.13Å; K978-D1042 PolarHBondContact NZ-OD1 3.44Å; K978-D1042 IonicContact NZ-OD2 2.73Å; K978-D1042 PolarHBondContact NZ-OD2 2.9Å
979	E	90.1	Very high	89.6	Confident	82 Å²	82	42.7 Å²	42.7	38%	0.383	21%	0.214	S	C	.	.	H	α-helix	trans	-68.2	-35.2	173.4	-163.9	-160.7	105.1	0	0	112.6	K943 Q975 N976 N977 S982 K983	K943-E979 IonicContact NZ-OE1 2.87Å; K943-E979 PolarHBondContact NZ-OE1 3.38Å; K943-E979 IonicContact NZ-OE2 3.88Å; K943-E979 PolarHBondContact NZ-OE2 3.15Å; Q975-E979 PolarHBondContact O-N 2.88Å; N976-E979 PolarHBondContact O-N 3.37Å; N977-E979 VanDerWaalsContact C-N 3.32Å; N977-E979 PolarHBondContact O-N 3.16Å; E979-S982 PolarHBondContact O-OG 3.11Å; E979-K983 IonicContact OE1-NZ 3.85Å; E979-K983 PolarHBondContact OE1-NZ 2.77Å
980	L	92.3	Very high	89.4	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-68.2	-47.1	174.4	-70.6	165.2	0	0	0	110.9	D940 K943 F944 N976 N977 S982 K983 G984 R987	D940-L980 HydrophobicContact CB-CD2 4.26Å; K943-L980 HydrophobicContact CB-CD2 4.34Å; K943-L980 HydrophobicContact CG-CD1 4.26Å; K943-L980 HydrophobicContact CG-CD2 4.31Å; K943-L980 HydrophobicContact CG-CG 4.32Å; F944-L980 HydrophobicContact CB-CD1 4.11Å; N976-L980 WeakPolarHBondContact O-CG 3.2Å; N976-L980 PolarHBondContact O-N 3.08Å; N976-L980 VanDerWaalsContact O-N 3.16Å; N977-L980 WeakPolarHBondContact O-CB 3.32Å; N977-L980 PolarHBondContact O-N 3.47Å; L980-S982 VanDerWaalsContact C-N 3.34Å; L980-S982 PolarHBondContact O-N 3.19Å; L980-K983 PolarHBondContact O-N 2.89Å; L980-K983 VanDerWaalsContact O-N 3.08Å; L980-G984 PolarHBondContact O-N 3.19Å; L980-R987 HydrophobicContact CB-CB 3.99Å; L980-R987 HydrophobicContact CD2-CB 4.38Å; L980-R987 WeakPolarHBondContact O-CB 3.2Å
981	L	90.5	Very high	89.3	Confident	32 Å²	32	49.6 Å²	49.6	17%	0.168	25%	0.25	C	C	.	.	H	α-helix	trans	-63.1	-35.7	-179.9	-70.4	175.3	0	0	0	112.7	N977 K983 G984 L985 E991	N977-L981 WeakPolarHBondContact ND2-CD1 3.3Å; N977-L981 WeakPolarHBondContact O-CG 3.49Å; N977-L981 PolarHBondContact O-N 2.9Å; L981-K983 PolarHBondContact O-N 2.74Å; L981-G984 CarbonylContact O-C 3.54Å; L981-G984 WeakPolarHBondContact O-CA 3.41Å; L981-G984 PolarHBondContact O-N 3.41Å; L981-L985 WeakPolarHBondContact CD2-O 3.49Å; L981-E991 HydrophobicContact CD1-CB 3.87Å; L981-E991 HydrophobicContact CD1-CG 4.28Å
982	S	89.3	Confident	89.2	Confident	96 Å²	96	53.3 Å²	53.3	67%	0.671	27%	0.267	S	S	*	.	H	α-helix	trans	-62.9	-25.6	174.6	75	0	0	0	0	113.2	K978 E979 L980	K978-S982 WeakPolarHBondContact O-CB 3.27Å; K978-S982 PolarHBondContact O-N 3.15Å; E979-S982 PolarHBondContact O-OG 3.11Å; L980-S982 VanDerWaalsContact C-N 3.34Å; L980-S982 PolarHBondContact O-N 3.19Å
983	K	88	Confident	89.1	Confident	83 Å²	83	54.8 Å²	54.8	36%	0.361	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-5.7	172	-57.5	174.4	-155.2	175.3	0	113.2	D940 E979 L980 L981 R987	D940-K983 IonicContact OD1-NZ 3.75Å; D940-K983 PolarHBondContact OD1-NZ 3.03Å; D940-K983 WeakPolarHBondContact OD2-CD 3.35Å; D940-K983 IonicContact OD2-NZ 2.83Å; E979-K983 IonicContact OE1-NZ 3.85Å; E979-K983 PolarHBondContact OE1-NZ 2.77Å; L980-K983 PolarHBondContact O-N 2.89Å; L980-K983 VanDerWaalsContact O-N 3.08Å; L981-K983 PolarHBondContact O-N 2.74Å; K983-R987 PolarHBondContact O-NE 2.82Å; K983-R987 PolarHBondContact O-NH2 2.84Å
984	G	86.3	Confident	88.9	Confident	25 Å²	25	54.8 Å²	54.8	26%	0.258	28%	0.275	S	S	.	.			trans	148.6	140.2	173.1	0	0	0	0	0	115	L980 L981 Y986 R987	L980-G984 PolarHBondContact O-N 3.19Å; L981-G984 CarbonylContact O-C 3.54Å; L981-G984 WeakPolarHBondContact O-CA 3.41Å; L981-G984 PolarHBondContact O-N 3.41Å; G984-Y986 PolarHBondContact O-N 2.92Å; G984-R987 WeakPolarHBondContact O-CB 3.49Å; G984-R987 PolarHBondContact O-N 3.44Å
985	L	83.8	Confident	88.8	Confident	144 Å²	144	54 Å²	54	75%	0.754	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52	-32.5	-174.4	-63.6	172.1	0	0	0	115.5	L981	L981-L985 WeakPolarHBondContact CD2-O 3.49Å
986	Y	86.3	Confident	88.8	Confident	144 Å²	144	52.3 Å²	52.3	57%	0.565	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.6	5.7	-178	-59.9	-69.4	0	0	0	114	R873 N884 G984	R873-Y986 PolarHBondContact NH1-O 3.46Å; N884-Y986 PolarHBondContact ND2-O 2.8Å; N884-Y986 WeakPolarHBondContact OD1-CA 3.33Å; N884-Y986 WeakPolarHBondContact OD1-CB 3.49Å; N884-Y986 PolarHBondContact OD1-O 3.18Å; G984-Y986 PolarHBondContact O-N 2.92Å
987	R	89.9	Confident	88.8	Confident	37 Å²	37	51.7 Å²	51.7	14%	0.14	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85	-25.9	175.4	-63.5	-165.8	-159.5	-125.3	-2.7	113	Y880 N884 W937 D940 F944 L980 K983 G984	Y880-R987 HydrophobicContact CE2-CB 4.47Å; Y880-R987 WeakPolarHBondContact OH-CB 3.46Å; N884-R987 HydrophobicContact CB-CG 4.36Å; N884-R987 WeakPolarHBondContact OD1-CG 3.32Å; N884-R987 PolarHBondContact OD1-N 2.9Å; W937-R987 VanDerWaalsContact CH2-NH2 3.29Å; W937-R987 VanDerWaalsContact CZ3-NH1 3.33Å; D940-R987 IonicContact OD2-CZ 2.86Å; D940-R987 IonicContact OD2-NE 3.22Å; D940-R987 IonicContact OD2-NH1 2.66Å; D940-R987 PolarHBondContact OD2-NH1 3.11Å; F944-R987 WeakPolarHBondContact CD2-O 3.21Å; L980-R987 HydrophobicContact CB-CB 3.99Å; L980-R987 HydrophobicContact CD2-CB 4.38Å; L980-R987 WeakPolarHBondContact O-CB 3.2Å; K983-R987 PolarHBondContact O-NE 2.82Å; K983-R987 PolarHBondContact O-NH2 2.84Å; G984-R987 WeakPolarHBondContact O-CB 3.49Å; G984-R987 PolarHBondContact O-N 3.44Å
988	G	90	Very high	88.6	Confident	3 Å²	3	51.9 Å²	51.9	3%	0.031	26%	0.26	C	S	.	.	S	Bend	trans	-101.5	179.6	-179.4	0	0	0	0	0	114.4	R873 N977	R873-G988 PolarHBondContact NH1-O 2.95Å; R873-G988 PolarHBondContact NH2-O 3.24Å; N977-G988 WeakPolarHBondContact OD1-CA 3.3Å
989	H	90.6	Very high	88.7	Confident	14 Å²	14	49.1 Å²	49.1	7%	0.065	25%	0.247	C	C	.	.			trans	-86.4	171.1	158.8	-71.2	-64.7	0	0	0	110.9	D871 F944 T948 L951 N977 E991 I994 F1110	D871-H989 IonicContact OD2-CE1 3.94Å; F944-H989 AromaticContact CE2-CD2 3.91Å; F944-H989 AromaticContact CE2-CE1 3.51Å; F944-H989 AromaticContact CE2-NE2 3.36Å; F944-H989 WeakPolarHBondContact CE2-NE2 3.43Å; F944-H989 AromaticContact CZ-CE1 3.74Å; F944-H989 AromaticContact CZ-NE2 3.84Å; T948-H989 PolarHBondContact OG1-NE2 3.23Å; L951-H989 HydrophobicContact CD2-CB 4.3Å; N977-H989 PolarHBondContact ND2-O 3.13Å; N977-H989 PolarHBondContact OD1-N 3.48Å; N977-H989 PolarHBondContact OD1-O 2.59Å; H989-E991 PolarHBondContact O-N 2.82Å; H989-I994 HydrophobicContact CB-CD1 4.41Å; H989-F1110 AromaticContact CE1-CE2 3.93Å
990	D	87.4	Confident	88.7	Confident	105 Å²	105	47.7 Å²	47.7	56%	0.561	24%	0.241	S	C	*	.			trans	-55.3	125.3	171.6	-171.6	-8.3	0	0	0	110.8	E992 L993 I994	D990-E992 PolarHBondContact OD1-N 3.29Å; D990-L993 HydrophobicContact CB-CB 4.12Å; D990-I994 WeakPolarHBondContact O-CG1 3.33Å
991	E	87.7	Confident	88.7	Confident	64 Å²	64	47.7 Å²	47.7	30%	0.299	24%	0.241	S	C	.	.	H	α-helix	trans	-77.5	-39.8	-175.6	-168.1	159.6	-147.6	0	0	111.5	Y974 L981 H989 L993 I994 S995	Y974-E991 HydrophobicContact CE2-CG 3.86Å; L981-E991 HydrophobicContact CD1-CB 3.87Å; L981-E991 HydrophobicContact CD1-CG 4.28Å; H989-E991 PolarHBondContact O-N 2.82Å; E991-L993 VanDerWaalsContact C-N 3.29Å; E991-L993 PolarHBondContact O-N 3.38Å; E991-I994 PolarHBondContact O-N 2.98Å; E991-I994 VanDerWaalsContact O-N 3.07Å; E991-S995 PolarHBondContact O-N 2.82Å; E991-S995 PolarHBondContact O-OG 3.23Å
992	E	86.2	Confident	88.7	Confident	83 Å²	83	46.3 Å²	46.3	39%	0.388	23%	0.233	S	C	.	.	H	α-helix	trans	-65.4	-34.9	-177.5	178.9	154.5	-150.7	0	0	111.6	D990 I994 S995 H996 K1047	D990-E992 PolarHBondContact OD1-N 3.29Å; E992-I994 PolarHBondContact O-N 3.47Å; E992-S995 PolarHBondContact O-N 2.91Å; E992-H996 VanDerWaalsContact O-CB 3.3Å; E992-H996 WeakPolarHBondContact O-CB 3.43Å; E992-H996 PolarHBondContact O-N 3.27Å; E992-K1047 IonicContact OE1-NZ 3.78Å; E992-K1047 PolarHBondContact OE1-NZ 3.03Å
993	L	87.8	Confident	88.8	Confident	36 Å²	36	44 Å²	44	19%	0.188	21%	0.213	C	C	.	.	H	α-helix	trans	-59.8	-44	172.2	-176.3	67.3	0	0	0	112.1	D990 E991 Y997 M1114 L1117	D990-L993 HydrophobicContact CB-CB 4.12Å; E991-L993 VanDerWaalsContact C-N 3.29Å; E991-L993 PolarHBondContact O-N 3.38Å; L993-Y997 HydrophobicContact CD1-CD2 4.12Å; L993-Y997 HydrophobicContact CD1-CE2 3.8Å; L993-Y997 WeakPolarHBondContact O-CD2 3.4Å; L993-Y997 PolarHBondContact O-N 3.29Å; L993-M1114 HydrophobicContact CD2-CE 3.98Å; L993-M1114 HydrophobicContact CD2-SD 4.2Å; L993-L1117 HydrophobicContact CD1-CD1 4.12Å
994	I	89.6	Confident	89	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-74.1	-42.4	-179.2	-52.6	-179.4	0	0	0	110.2	L951 A973 Y974 N977 H989 D990 E991 E992 H996 Y997 R998	L951-I994 HydrophobicContact CD1-CD1 4.43Å; L951-I994 HydrophobicContact CD1-CG1 3.93Å; L951-I994 HydrophobicContact CD2-CD1 4.35Å; L951-I994 HydrophobicContact CD2-CG1 4.36Å; A973-I994 HydrophobicContact CB-CD1 4.44Å; A973-I994 HydrophobicContact CB-CG2 4.26Å; Y974-I994 HydrophobicContact CD2-CB 4.48Å; Y974-I994 HydrophobicContact CD2-CG2 4.25Å; N977-I994 HydrophobicContact CB-CD1 3.97Å; H989-I994 HydrophobicContact CB-CD1 4.41Å; D990-I994 WeakPolarHBondContact O-CG1 3.33Å; E991-I994 PolarHBondContact O-N 2.98Å; E991-I994 VanDerWaalsContact O-N 3.07Å; E992-I994 PolarHBondContact O-N 3.47Å; I994-H996 VanDerWaalsContact C-N 3.33Å; I994-H996 PolarHBondContact O-N 2.91Å; I994-Y997 PolarHBondContact O-N 2.79Å; I994-R998 VanDerWaalsContact O-CB 3.27Å; I994-R998 WeakPolarHBondContact O-CB 3.39Å; I994-R998 PolarHBondContact O-N 2.8Å
995	S	87.9	Confident	89.3	Confident	0 Å²	0	43 Å²	43	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-57.2	-43.5	173.9	-69.2	0	0	0	0	112.2	Y974 E991 E992 R998 R999 E1045	Y974-S995 WeakPolarHBondContact CE2-OG 3.42Å; E991-S995 PolarHBondContact O-N 2.82Å; E991-S995 PolarHBondContact O-OG 3.23Å; E992-S995 PolarHBondContact O-N 2.91Å; S995-R998 PolarHBondContact O-N 3.04Å; S995-R999 PolarHBondContact O-N 3.41Å; S995-E1045 WeakPolarHBondContact CB-OE1 3.33Å; S995-E1045 PolarHBondContact OG-OE1 2.93Å
996	H	88.9	Confident	89.8	Confident	45 Å²	45	36.4 Å²	36.4	21%	0.208	17%	0.167	C	C	.	.	H	α-helix	trans	-60.7	-53.8	178.2	173.8	56	0	0	0	112.5	E992 I994 R998 R999 E1000	E992-H996 VanDerWaalsContact O-CB 3.3Å; E992-H996 WeakPolarHBondContact O-CB 3.43Å; E992-H996 PolarHBondContact O-N 3.27Å; I994-H996 VanDerWaalsContact C-N 3.33Å; I994-H996 PolarHBondContact O-N 2.91Å; H996-R998 VanDerWaalsContact C-N 3.29Å; H996-R998 PolarHBondContact O-N 2.97Å; H996-R999 WeakPolarHBondContact O-CB 3.47Å; H996-R999 PolarHBondContact O-N 3.34Å; H996-E1000 PolarHBondContact O-N 3.49Å
997	Y	89.5	Confident	90.2	Very high	21 Å²	21	33 Å²	33	8%	0.082	16%	0.156	C	C	.	.	H	α-helix	trans	-69.5	-26.2	-179.9	-75.2	-73.3	0	0	0	113.1	L955 F958 L993 I994 C1001 L1117	L955-Y997 HydrophobicContact CD2-CD1 3.95Å; L955-Y997 HydrophobicContact CD2-CD2 3.47Å; L955-Y997 VanDerWaalsContact CD2-CD2 3.47Å; L955-Y997 HydrophobicContact CD2-CE1 4.4Å; L955-Y997 HydrophobicContact CD2-CE2 3.96Å; L955-Y997 HydrophobicContact CD2-CG 3.49Å; L955-Y997 VanDerWaalsContact CD2-CG 3.49Å; F958-Y997 AromaticContact CD1-CD1 3.92Å; F958-Y997 HydrophobicContact CD1-CD1 3.92Å; F958-Y997 AromaticContact CD1-CE1 3.98Å; F958-Y997 HydrophobicContact CD1-CE1 3.98Å; F958-Y997 HydrophobicContact CD2-CD1 4.22Å; F958-Y997 AromaticContact CE1-CD1 3.83Å; F958-Y997 HydrophobicContact CE1-CD1 3.83Å; F958-Y997 AromaticContact CE1-CE1 3.73Å; F958-Y997 HydrophobicContact CE1-CE1 3.73Å; F958-Y997 HydrophobicContact CE2-CD1 4.14Å; F958-Y997 HydrophobicContact CG-CD1 4.12Å; F958-Y997 AromaticContact CZ-CD1 3.95Å; F958-Y997 HydrophobicContact CZ-CD1 3.95Å; F958-Y997 HydrophobicContact CZ-CE1 4.18Å; L993-Y997 HydrophobicContact CD1-CD2 4.12Å; L993-Y997 HydrophobicContact CD1-CE2 3.8Å; L993-Y997 WeakPolarHBondContact O-CD2 3.4Å; L993-Y997 PolarHBondContact O-N 3.29Å; I994-Y997 PolarHBondContact O-N 2.79Å; Y997-C1001 WeakPolarHBondContact O-CB 3.29Å; Y997-C1001 PolarHBondContact O-N 3.27Å; Y997-L1117 HydrophobicContact CE2-CD1 3.77Å; Y997-L1117 HydrophobicContact CE2-CD2 4.38Å
998	R	90.4	Very high	90.3	Very high	4 Å²	4	34.5 Å²	34.5	2%	0.015	17%	0.165	C	C	.	.	H	α-helix	trans	-62.5	-47.6	169.1	179.4	-177.2	69.9	-175.9	3.4	111.7	L967 I971 Y974 I994 S995 H996 C1001 L1002 L1039 D1048	L967-R998 HydrophobicContact CD1-CG 4.31Å; I971-R998 HydrophobicContact CG1-CG 4.44Å; Y974-R998 VanDerWaalsContact CG-NH1 3.27Å; Y974-R998 VanDerWaalsContact CZ-NH1 3.33Å; I994-R998 VanDerWaalsContact O-CB 3.27Å; I994-R998 WeakPolarHBondContact O-CB 3.39Å; I994-R998 PolarHBondContact O-N 2.8Å; S995-R998 PolarHBondContact O-N 3.04Å; H996-R998 VanDerWaalsContact C-N 3.29Å; H996-R998 PolarHBondContact O-N 2.97Å; R998-C1001 WeakPolarHBondContact O-CB 3.41Å; R998-C1001 PolarHBondContact O-N 3.23Å; R998-L1002 PolarHBondContact O-N 3.47Å; R998-L1039 HydrophobicContact CG-CD2 4.28Å; R998-L1039 VanDerWaalsContact NE-CD2 3.26Å; R998-D1048 IonicContact CZ-OD2 2.64Å; R998-D1048 IonicContact NH2-OD1 3.02Å; R998-D1048 IonicContact NH2-OD2 3.13Å; R998-D1048 PolarHBondContact NH2-OD2 3.29Å
999	R	90	Very high	90.5	Very high	13 Å²	13	34.3 Å²	34.3	5%	0.049	16%	0.163	C	C	.	.	H	α-helix	trans	-60.1	-52.3	174.8	-78.3	-176.5	-77.3	-91.9	9.3	111.9	S995 H996 C1001 L1002 L1003 E1045 K1047 D1048 A1051	S995-R999 PolarHBondContact O-N 3.41Å; H996-R999 WeakPolarHBondContact O-CB 3.47Å; H996-R999 PolarHBondContact O-N 3.34Å; R999-C1001 VanDerWaalsContact C-N 3.26Å; R999-C1001 PolarHBondContact O-N 2.95Å; R999-L1002 PolarHBondContact O-N 3.05Å; R999-L1003 WeakPolarHBondContact O-CG 3.44Å; R999-L1003 PolarHBondContact O-N 3.09Å; R999-E1045 IonicContact CZ-OE2 2.61Å; R999-E1045 VanDerWaalsContact CZ-OE2 3.24Å; R999-E1045 IonicContact NH1-OE1 2.64Å; R999-E1045 IonicContact NH1-OE2 2.64Å; R999-E1045 PolarHBondContact NH1-OE2 3.04Å; R999-E1045 IonicContact NH2-OE2 2.64Å; R999-E1045 PolarHBondContact NH2-OE2 3.41Å; R999-K1047 VanDerWaalsContact CD-O 3.31Å; R999-K1047 WeakPolarHBondContact CD-O 3.15Å; R999-D1048 WeakPolarHBondContact CD-OD1 3.3Å; R999-D1048 WeakPolarHBondContact CG-OD1 3.39Å; R999-D1048 IonicContact CZ-OD1 2.91Å; R999-D1048 IonicContact NE-OD1 3.51Å; R999-D1048 VanDerWaalsContact NH1-CG 3.27Å; R999-D1048 IonicContact NH1-OD1 3.82Å; R999-D1048 PolarHBondContact NH1-OD1 2.89Å; R999-D1048 IonicContact NH1-OD2 3.1Å; R999-A1051 HydrophobicContact CG-CB 4.19Å
1000	E	90.2	Very high	90.5	Very high	53 Å²	53	33.7 Å²	33.7	25%	0.248	16%	0.16	C	C	.	.	H	α-helix	trans	-57.2	-41	-179.1	-75.3	-62.6	123.8	0	0	111.3	F958 H996 L1002 L1003 K1004	F958-E1000 HydrophobicContact CE2-CB 3.66Å; F958-E1000 HydrophobicContact CZ-CB 3.72Å; F958-E1000 HydrophobicContact CZ-CG 4.45Å; H996-E1000 PolarHBondContact O-N 3.49Å; E1000-L1002 PolarHBondContact O-N 2.98Å; E1000-L1003 PolarHBondContact O-N 3.19Å; E1000-K1004 WeakPolarHBondContact O-CB 3.48Å; E1000-K1004 WeakPolarHBondContact O-CG 3.44Å; E1000-K1004 PolarHBondContact O-N 2.94Å
1001	C	91.9	Very high	90.8	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-55	-48.6	173	-106.9	0	0	0	0	113.1	Y963 S966 L967 Y997 R998 R999 L1005	Y963-C1001 PolarHBondContact O-SG 2.88Å; Y963-C1001 VanDerWaalsContact O-SG 3.37Å; S966-C1001 WeakPolarHBondContact CB-SG 3.4Å; S966-C1001 PolarHBondContact OG-SG 3.19Å; L967-C1001 HydrophobicContact CB-CB 3.94Å; L967-C1001 HydrophobicContact CD1-CB 3.96Å; L967-C1001 HydrophobicContact CG-CB 4.45Å; L967-C1001 PolarHBondContact N-SG 3.35Å; L967-C1001 VanDerWaalsContact N-SG 3.44Å; Y997-C1001 WeakPolarHBondContact O-CB 3.29Å; Y997-C1001 PolarHBondContact O-N 3.27Å; R998-C1001 WeakPolarHBondContact O-CB 3.41Å; R998-C1001 PolarHBondContact O-N 3.23Å; R999-C1001 VanDerWaalsContact C-N 3.26Å; R999-C1001 PolarHBondContact O-N 2.95Å; C1001-L1005 WeakPolarHBondContact O-CB 3.43Å; C1001-L1005 VanDerWaalsContact O-CG 3.23Å; C1001-L1005 WeakPolarHBondContact O-CG 3.32Å; C1001-L1005 PolarHBondContact O-N 3.01Å
1002	L	90.8	Very high	91	Very high	2 Å²	2	33.5 Å²	33.5	1%	0.01	16%	0.157	C	C	.	.	H	α-helix	trans	-67.4	-42.5	-180	-75.9	163	0	0	0	111.8	L967 R998 R999 E1000 L1005 N1006 I1032 L1039 M1055	L967-L1002 HydrophobicContact CD1-CD1 4.3Å; L967-L1002 HydrophobicContact CD1-CD2 4.35Å; L967-L1002 HydrophobicContact CD1-CG 3.91Å; L967-L1002 HydrophobicContact CD2-CD2 3.54Å; L967-L1002 HydrophobicContact CD2-CG 3.94Å; R998-L1002 PolarHBondContact O-N 3.47Å; R999-L1002 PolarHBondContact O-N 3.05Å; E1000-L1002 PolarHBondContact O-N 2.98Å; L1002-L1005 PolarHBondContact O-N 3.13Å; L1002-N1006 VanDerWaalsContact O-CB 3.3Å; L1002-N1006 WeakPolarHBondContact O-CB 3.36Å; L1002-N1006 PolarHBondContact O-N 2.84Å; L1002-I1032 HydrophobicContact CD2-CB 4.29Å; L1002-I1032 HydrophobicContact CD2-CG1 4.02Å; L1002-I1032 HydrophobicContact CD2-CG2 4.24Å; L1002-L1039 HydrophobicContact CD1-CD1 3.68Å; L1002-L1039 HydrophobicContact CD1-CD2 4.16Å; L1002-L1039 HydrophobicContact CD1-CG 4.09Å; L1002-M1055 HydrophobicContact CB-CE 4.04Å; L1002-M1055 HydrophobicContact CB-SD 4.07Å
1003	L	91.7	Very high	91.3	Very high	47 Å²	47	29.9 Å²	29.9	25%	0.246	14%	0.14	C	C	.	.	H	α-helix	trans	-63.6	-42.3	177	-68.2	171.9	0	0	0	112.2	R999 E1000 N1006 E1007 A1051 D1054 M1055	R999-L1003 WeakPolarHBondContact O-CG 3.44Å; R999-L1003 PolarHBondContact O-N 3.09Å; E1000-L1003 PolarHBondContact O-N 3.19Å; L1003-N1006 PolarHBondContact O-N 2.66Å; L1003-E1007 PolarHBondContact O-N 3.48Å; L1003-E1007 VanDerWaalsContact O-N 3.08Å; L1003-A1051 HydrophobicContact CD1-CB 4.31Å; L1003-A1051 HydrophobicContact CD2-CB 4.23Å; L1003-A1051 HydrophobicContact CG-CB 4.39Å; L1003-D1054 HydrophobicContact CD2-CB 4.46Å; L1003-M1055 HydrophobicContact CD2-CG 3.95Å
1004	K	92.6	Very high	91.3	Very high	89 Å²	89	33.1 Å²	33.1	39%	0.387	15%	0.154	S	C	.	.	H	α-helix	trans	-67.3	-40.1	176.1	-64.5	-61.6	174.2	-160.4	0	112.3	Y963 E1000 E1007 Q1008	Y963-K1004 HydrophobicContact CD1-CB 3.84Å; Y963-K1004 HydrophobicContact CD1-CG 4.16Å; Y963-K1004 HydrophobicContact CD2-CB 3.83Å; Y963-K1004 HydrophobicContact CE1-CB 3.86Å; Y963-K1004 HydrophobicContact CE1-CG 3.76Å; Y963-K1004 HydrophobicContact CE2-CB 3.86Å; Y963-K1004 HydrophobicContact CE2-CG 4.34Å; Y963-K1004 HydrophobicContact CG-CB 3.83Å; E1000-K1004 WeakPolarHBondContact O-CB 3.48Å; E1000-K1004 WeakPolarHBondContact O-CG 3.44Å; E1000-K1004 PolarHBondContact O-N 2.94Å; K1004-E1007 PolarHBondContact O-N 2.98Å; K1004-Q1008 WeakPolarHBondContact O-CG 3.38Å; K1004-Q1008 PolarHBondContact O-N 3.11Å
1005	L	92.7	Very high	91.3	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-65.9	-37.9	174.2	-72.4	170.7	0	0	0	112.3	I964 L967 C1001 L1002 Q1008 A1009 I1027 I1032	I964-L1005 HydrophobicContact CB-CD2 4.49Å; I964-L1005 HydrophobicContact CD1-CD2 4.42Å; I964-L1005 HydrophobicContact CG1-CD1 4.46Å; I964-L1005 HydrophobicContact CG1-CD2 3.46Å; I964-L1005 VanDerWaalsContact CG1-CD2 3.46Å; L967-L1005 HydrophobicContact CB-CD1 4.42Å; L967-L1005 HydrophobicContact CD2-CD1 3.74Å; C1001-L1005 WeakPolarHBondContact O-CB 3.43Å; C1001-L1005 VanDerWaalsContact O-CG 3.23Å; C1001-L1005 WeakPolarHBondContact O-CG 3.32Å; C1001-L1005 PolarHBondContact O-N 3.01Å; L1002-L1005 PolarHBondContact O-N 3.13Å; L1005-Q1008 PolarHBondContact O-N 2.81Å; L1005-A1009 VanDerWaalsContact O-CB 3.28Å; L1005-A1009 WeakPolarHBondContact O-CB 3.47Å; L1005-A1009 PolarHBondContact O-N 3.2Å; L1005-I1027 HydrophobicContact CB-CG2 4.19Å; L1005-I1027 HydrophobicContact CD2-CG2 4.26Å; L1005-I1032 HydrophobicContact CB-CD1 3.81Å; L1005-I1032 HydrophobicContact CB-CG1 4.16Å
1006	N	93.9	Very high	91	Very high	5 Å²	5	37 Å²	37	3%	0.027	19%	0.186	C	C	.	.	H	α-helix	trans	-64.1	-42.8	177.4	-180	83.1	0	0	0	111.5	L1002 L1003 A1009 A1010 M1028 I1032 M1055 W1059	L1002-N1006 VanDerWaalsContact O-CB 3.3Å; L1002-N1006 WeakPolarHBondContact O-CB 3.36Å; L1002-N1006 PolarHBondContact O-N 2.84Å; L1003-N1006 PolarHBondContact O-N 2.66Å; N1006-A1009 PolarHBondContact O-N 3.29Å; N1006-A1010 WeakPolarHBondContact O-CB 3.17Å; N1006-A1010 PolarHBondContact O-N 2.87Å; N1006-M1028 WeakPolarHBondContact OD1-CE 3.31Å; N1006-I1032 HydrophobicContact CB-CD1 4.11Å; N1006-M1055 HydrophobicContact CB-CG 3.73Å; N1006-M1055 HydrophobicContact CB-SD 3.82Å; N1006-W1059 VanDerWaalsContact OD1-CD1 3.29Å; N1006-W1059 PolarHBondContact OD1-NE1 2.76Å
1007	E	93.8	Very high	91	Very high	73 Å²	73	40.8 Å²	40.8	34%	0.341	20%	0.204	S	C	.	.	H	α-helix	trans	-69.6	-40.7	177.1	-158.9	59.5	-148.8	0	0	111.7	L1003 K1004 A1009 A1010 E1011 R1058	L1003-E1007 PolarHBondContact O-N 3.48Å; L1003-E1007 VanDerWaalsContact O-N 3.08Å; K1004-E1007 PolarHBondContact O-N 2.98Å; E1007-A1009 VanDerWaalsContact C-N 3.29Å; E1007-A1009 PolarHBondContact O-N 3.42Å; E1007-A1010 WeakPolarHBondContact O-CB 3.35Å; E1007-A1010 PolarHBondContact O-N 2.74Å; E1007-A1010 VanDerWaalsContact O-N 3.12Å; E1007-E1011 WeakPolarHBondContact O-CG 3.43Å; E1007-E1011 PolarHBondContact O-N 3.37Å; E1007-R1058 IonicContact OE1-CZ 2.82Å; E1007-R1058 VanDerWaalsContact OE1-CZ 3.24Å; E1007-R1058 IonicContact OE1-NE 2.64Å; E1007-R1058 PolarHBondContact OE1-NE 3.17Å; E1007-R1058 IonicContact OE1-NH2 2.68Å; E1007-R1058 PolarHBondContact OE1-NH2 2.81Å; E1007-R1058 IonicContact OE2-CZ 2.89Å; E1007-R1058 IonicContact OE2-NE 2.7Å; E1007-R1058 PolarHBondContact OE2-NE 2.91Å
1008	Q	93.1	Very high	90.8	Very high	67 Å²	67	44.2 Å²	44.2	31%	0.313	22%	0.224	S	C	.	.	H	α-helix	trans	-59.6	-38.2	171.7	-75.3	-179.8	-22.8	0	0	112.5	K1004 L1005 L1012	K1004-Q1008 WeakPolarHBondContact O-CG 3.38Å; K1004-Q1008 PolarHBondContact O-N 3.11Å; L1005-Q1008 PolarHBondContact O-N 2.81Å; Q1008-L1012 WeakPolarHBondContact O-CB 3.36Å; Q1008-L1012 WeakPolarHBondContact O-CD1 3.43Å; Q1008-L1012 VanDerWaalsContact O-CG 3.25Å; Q1008-L1012 WeakPolarHBondContact O-CG 3.41Å; Q1008-L1012 PolarHBondContact O-N 3.26Å; Q1008-L1012 VanDerWaalsContact O-N 3.11Å
1009	A	93.4	Very high	90.7	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-69.9	-33.3	175.6	0	0	0	0	0	112.6	L1005 N1006 E1007 F1013 G1024 I1027 M1028 W1059	L1005-A1009 VanDerWaalsContact O-CB 3.28Å; L1005-A1009 WeakPolarHBondContact O-CB 3.47Å; L1005-A1009 PolarHBondContact O-N 3.2Å; N1006-A1009 PolarHBondContact O-N 3.29Å; E1007-A1009 VanDerWaalsContact C-N 3.29Å; E1007-A1009 PolarHBondContact O-N 3.42Å; A1009-F1013 WeakPolarHBondContact O-CB 3.42Å; A1009-F1013 PolarHBondContact O-N 2.96Å; A1009-F1013 VanDerWaalsContact O-N 3.13Å; A1009-G1024 WeakPolarHBondContact CB-O 3.45Å; A1009-I1027 HydrophobicContact CB-CB 4.12Å; A1009-I1027 HydrophobicContact CB-CG2 4.03Å; A1009-M1028 HydrophobicContact CB-CG 3.9Å; A1009-M1028 HydrophobicContact CB-SD 3.72Å; A1009-W1059 HydrophobicContact CB-CZ2 3.95Å
1010	A	92.2	Very high	90.7	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-70.7	-45.9	174.3	0	0	0	0	0	112	N1006 E1007 L1012 F1013 E1014 R1058 W1059	N1006-A1010 WeakPolarHBondContact O-CB 3.17Å; N1006-A1010 PolarHBondContact O-N 2.87Å; E1007-A1010 WeakPolarHBondContact O-CB 3.35Å; E1007-A1010 PolarHBondContact O-N 2.74Å; E1007-A1010 VanDerWaalsContact O-N 3.12Å; A1010-L1012 VanDerWaalsContact C-N 3.32Å; A1010-L1012 PolarHBondContact O-N 2.85Å; A1010-F1013 WeakPolarHBondContact O-CA 3.38Å; A1010-F1013 WeakPolarHBondContact O-CB 3.27Å; A1010-F1013 PolarHBondContact O-N 2.89Å; A1010-E1014 WeakPolarHBondContact O-CG 3.45Å; A1010-E1014 PolarHBondContact O-N 3.05Å; A1010-R1058 HydrophobicContact CB-CG 4.26Å; A1010-W1059 HydrophobicContact CB-CZ2 4.47Å
1011	E	93.3	Very high	90.6	Very high	122 Å²	122	53 Å²	53	57%	0.57	26%	0.258	S	S	*	.	H	α-helix	trans	-56.2	-45	173.3	-72.7	178.3	163.5	0	0	111.5	E1007 F1013 E1014 S1015	E1007-E1011 WeakPolarHBondContact O-CG 3.43Å; E1007-E1011 PolarHBondContact O-N 3.37Å; E1011-F1013 VanDerWaalsContact C-N 3.28Å; E1011-F1013 PolarHBondContact O-N 2.8Å; E1011-E1014 PolarHBondContact O-N 2.91Å; E1011-S1015 PolarHBondContact O-N 3.27Å; E1011-S1015 VanDerWaalsContact O-N 3.15Å
1012	L	91.8	Very high	90.5	Very high	44 Å²	44	56.3 Å²	56.3	23%	0.23	28%	0.276	C	S	.	.	H	α-helix	trans	-64.6	-30.1	175.8	-75.5	170	0	0	0	113	Q1008 A1010 S1015 E1020 V1021 N1023 I1027	Q1008-L1012 WeakPolarHBondContact O-CB 3.36Å; Q1008-L1012 WeakPolarHBondContact O-CD1 3.43Å; Q1008-L1012 VanDerWaalsContact O-CG 3.25Å; Q1008-L1012 WeakPolarHBondContact O-CG 3.41Å; Q1008-L1012 PolarHBondContact O-N 3.26Å; Q1008-L1012 VanDerWaalsContact O-N 3.11Å; A1010-L1012 VanDerWaalsContact C-N 3.32Å; A1010-L1012 PolarHBondContact O-N 2.85Å; L1012-S1015 PolarHBondContact O-OG 2.75Å; L1012-E1020 HydrophobicContact CD2-CB 3.92Å; L1012-E1020 HydrophobicContact CD2-CG 4.4Å; L1012-E1020 CarbonylContact O-C 3.46Å; L1012-E1020 VanDerWaalsContact O-C 3.28Å; L1012-V1021 PolarHBondContact O-N 3.41Å; L1012-N1023 HydrophobicContact CD1-CB 4.37Å; L1012-I1027 HydrophobicContact CD1-CD1 3.78Å
1013	F	91.6	Very high	90.4	Very high	7 Å²	7	59.3 Å²	59.3	3%	0.031	29%	0.292	C	S	.	.	H	α-helix	trans	-76.8	-40	174.4	-173.2	-90.8	0	0	0	112.2	A1009 A1010 E1011 S1015 G1016 V1021 L1025 W1059 Y1062 L1071 L1075	A1009-F1013 WeakPolarHBondContact O-CB 3.42Å; A1009-F1013 PolarHBondContact O-N 2.96Å; A1009-F1013 VanDerWaalsContact O-N 3.13Å; A1010-F1013 WeakPolarHBondContact O-CA 3.38Å; A1010-F1013 WeakPolarHBondContact O-CB 3.27Å; A1010-F1013 PolarHBondContact O-N 2.89Å; E1011-F1013 VanDerWaalsContact C-N 3.28Å; E1011-F1013 PolarHBondContact O-N 2.8Å; F1013-S1015 PolarHBondContact O-N 2.99Å; F1013-G1016 PolarHBondContact O-N 2.92Å; F1013-V1021 HydrophobicContact CD2-CG1 3.82Å; F1013-V1021 HydrophobicContact CE2-CG1 3.97Å; F1013-L1025 HydrophobicContact CD2-CD1 4.47Å; F1013-L1025 HydrophobicContact CD2-CD2 4.37Å; F1013-L1025 HydrophobicContact CD2-CG 4.32Å; F1013-L1025 HydrophobicContact CE2-CD1 4.4Å; F1013-W1059 HydrophobicContact CB-CH2 3.76Å; F1013-W1059 HydrophobicContact CB-CZ3 3.98Å; F1013-W1059 HydrophobicContact CD1-CZ3 4.14Å; F1013-W1059 HydrophobicContact CD2-CH2 4.18Å; F1013-W1059 AromaticContact CD2-CZ3 3.76Å; F1013-W1059 HydrophobicContact CD2-CZ3 3.76Å; F1013-W1059 HydrophobicContact CE2-CZ3 4.32Å; F1013-W1059 AromaticContact CG-CH2 3.99Å; F1013-W1059 HydrophobicContact CG-CH2 3.99Å; F1013-W1059 AromaticContact CG-CZ3 3.68Å; F1013-W1059 HydrophobicContact CG-CZ3 3.68Å; F1013-Y1062 HydrophobicContact CD1-CD2 4.42Å; F1013-Y1062 HydrophobicContact CD1-CE2 4.05Å; F1013-Y1062 HydrophobicContact CE1-CD2 4.35Å; F1013-Y1062 HydrophobicContact CE1-CE2 4.44Å; F1013-L1071 HydrophobicContact CZ-CB 4.18Å; F1013-L1075 HydrophobicContact CZ-CB 4.02Å; F1013-L1075 HydrophobicContact CZ-CD1 4.4Å
1014	E	89.3	Confident	90.3	Very high	104 Å²	104	57.1 Å²	57.1	49%	0.486	28%	0.28	S	S	.	.	H	α-helix	trans	-67.3	-20.7	177.6	-76	173	-172.8	0	0	113.8	A1010 E1011 G1016 R1058 Y1062	A1010-E1014 WeakPolarHBondContact O-CG 3.45Å; A1010-E1014 PolarHBondContact O-N 3.05Å; E1011-E1014 PolarHBondContact O-N 2.91Å; E1014-G1016 PolarHBondContact O-N 3.4Å; E1014-R1058 IonicContact OE1-CZ 3.72Å; E1014-R1058 VanDerWaalsContact OE1-CZ 3.24Å; E1014-R1058 IonicContact OE1-NH1 2.85Å; E1014-R1058 PolarHBondContact OE1-NH1 2.78Å; E1014-R1058 IonicContact OE1-NH2 3.86Å; E1014-R1058 PolarHBondContact OE1-NH2 2.83Å; E1014-R1058 IonicContact OE2-NH2 2.79Å; E1014-Y1062 HydrophobicContact CG-CE1 3.96Å; E1014-Y1062 WeakPolarHBondContact CG-OH 3.33Å; E1014-Y1062 VanDerWaalsContact OE1-CE1 3.31Å; E1014-Y1062 WeakPolarHBondContact OE1-CE1 3.49Å; E1014-Y1062 PolarHBondContact OE1-OH 3.14Å
1015	S	89.5	Confident	90.2	Very high	50 Å²	50	53.8 Å²	53.8	35%	0.35	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-30.7	173.3	73	0	0	0	0	113.7	E1011 L1012 F1013 E1017 E1020	E1011-S1015 PolarHBondContact O-N 3.27Å; E1011-S1015 VanDerWaalsContact O-N 3.15Å; L1012-S1015 PolarHBondContact O-OG 2.75Å; F1013-S1015 PolarHBondContact O-N 2.99Å; S1015-E1017 PolarHBondContact O-N 3.22Å; S1015-E1017 VanDerWaalsContact O-N 3.12Å; S1015-E1017 PolarHBondContact OG-N 2.9Å; S1015-E1020 WeakPolarHBondContact OG-CB 3.31Å
1016	G	80.8	Confident	90.1	Very high	31 Å²	31	57.5 Å²	57.5	32%	0.32	29%	0.286	S	S	.	.			trans	66.4	-1.9	-171.5	0	0	0	0	0	115.3	F1013 E1014 D1018	F1013-G1016 PolarHBondContact O-N 2.92Å; E1014-G1016 PolarHBondContact O-N 3.4Å; G1016-D1018 PolarHBondContact O-N 2.84Å
1017	E	88.4	Confident	89.8	Confident	124 Å²	124	58.3 Å²	58.3	58%	0.579	29%	0.29	S	S	*	.			trans	-76.2	120.6	173.9	-80.7	-150.9	-167.5	0	0	110.2	S1015 R1019 E1020 V1021	S1015-E1017 PolarHBondContact O-N 3.22Å; S1015-E1017 VanDerWaalsContact O-N 3.12Å; S1015-E1017 PolarHBondContact OG-N 2.9Å; E1017-R1019 CarbonylContact O-C 3.46Å; E1017-R1019 PolarHBondContact O-N 3.04Å; E1017-E1020 HydrophobicContact CB-CB 4.22Å; E1017-E1020 HydrophobicContact CB-CG 4.14Å; E1017-E1020 PolarHBondContact O-N 2.86Å; E1017-V1021 WeakPolarHBondContact O-CB 3.35Å; E1017-V1021 VanDerWaalsContact O-CG2 3.3Å; E1017-V1021 WeakPolarHBondContact O-CG2 3.46Å; E1017-V1021 PolarHBondContact O-N 3.06Å
1018	D	85.7	Confident	89.6	Confident	94 Å²	94	54.9 Å²	54.9	50%	0.503	27%	0.274	S	S	.	.	H	α-helix	trans	-48.6	-33.4	-174.9	-150.3	-2.4	0	0	0	113.5	G1016 N1022 K1074	G1016-D1018 PolarHBondContact O-N 2.84Å; D1018-N1022 WeakPolarHBondContact O-CB 3.25Å; D1018-N1022 PolarHBondContact O-N 3.13Å; D1018-N1022 PolarHBondContact O-ND2 3.03Å; D1018-N1022 PolarHBondContact O-OD1 2.42Å; D1018-K1074 IonicContact OD1-NZ 3.91Å; D1018-K1074 PolarHBondContact OD1-NZ 2.9Å
1019	R	88.3	Confident	89.4	Confident	183 Å²	183	53.8 Å²	53.8	69%	0.691	27%	0.27	S	S	*	.	H	α-helix	trans	-74.9	-42.5	175.3	-179.5	-179.1	175.1	-133.8	-4.6	113.5	E1017 N1023	E1017-R1019 CarbonylContact O-C 3.46Å; E1017-R1019 PolarHBondContact O-N 3.04Å; R1019-N1023 PolarHBondContact O-N 2.94Å; R1019-N1023 VanDerWaalsContact O-N 3.13Å; R1019-N1023 PolarHBondContact O-ND2 3.01Å; R1019-N1023 PolarHBondContact O-OD1 2.78Å
1020	E	89.7	Confident	89	Confident	70 Å²	70	58.6 Å²	58.6	33%	0.327	29%	0.292	S	S	.	.	H	α-helix	trans	-76.4	-41.5	-176.7	-61.5	-161.8	150.9	0	0	110.5	L1012 S1015 E1017 N1022 N1023 G1024	L1012-E1020 HydrophobicContact CD2-CB 3.92Å; L1012-E1020 HydrophobicContact CD2-CG 4.4Å; L1012-E1020 CarbonylContact O-C 3.46Å; L1012-E1020 VanDerWaalsContact O-C 3.28Å; S1015-E1020 WeakPolarHBondContact OG-CB 3.31Å; E1017-E1020 HydrophobicContact CB-CB 4.22Å; E1017-E1020 HydrophobicContact CB-CG 4.14Å; E1017-E1020 PolarHBondContact O-N 2.86Å; E1020-N1022 VanDerWaalsContact C-N 3.27Å; E1020-N1022 PolarHBondContact O-N 3.14Å; E1020-N1023 CarbonylContact O-C 3.58Å; E1020-N1023 WeakPolarHBondContact O-CA 3.49Å; E1020-N1023 WeakPolarHBondContact O-CB 3.45Å; E1020-N1023 PolarHBondContact O-N 3.41Å; E1020-G1024 PolarHBondContact O-N 2.63Å
1021	V	89.1	Confident	88.6	Confident	0 Å²	0	61.2 Å²	61.2	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-51.1	-46.3	168.1	171.2	0	0	0	0	111.2	L1012 F1013 E1017 G1024 L1025 L1071 K1074	L1012-V1021 PolarHBondContact O-N 3.41Å; F1013-V1021 HydrophobicContact CD2-CG1 3.82Å; F1013-V1021 HydrophobicContact CE2-CG1 3.97Å; E1017-V1021 WeakPolarHBondContact O-CB 3.35Å; E1017-V1021 VanDerWaalsContact O-CG2 3.3Å; E1017-V1021 WeakPolarHBondContact O-CG2 3.46Å; E1017-V1021 PolarHBondContact O-N 3.06Å; V1021-G1024 PolarHBondContact O-N 3.1Å; V1021-L1025 HydrophobicContact CG1-CD1 4.16Å; V1021-L1025 WeakPolarHBondContact O-CG 3.47Å; V1021-L1025 PolarHBondContact O-N 3.39Å; V1021-L1071 HydrophobicContact CB-CD2 4.3Å; V1021-L1071 HydrophobicContact CG1-CD2 3.83Å; V1021-L1071 HydrophobicContact CG2-CD2 3.6Å; V1021-K1074 HydrophobicContact CG1-CD 3.73Å
1022	N	88.3	Confident	88.3	Confident	71 Å²	71	55.4 Å²	55.4	38%	0.38	28%	0.277	S	S	.	.	H	α-helix	trans	-66.7	-35.4	176.6	-70.4	-12.9	0	0	0	112.4	D1018 E1020 I1026 K1074	D1018-N1022 WeakPolarHBondContact O-CB 3.25Å; D1018-N1022 PolarHBondContact O-N 3.13Å; D1018-N1022 PolarHBondContact O-ND2 3.03Å; D1018-N1022 PolarHBondContact O-OD1 2.42Å; E1020-N1022 VanDerWaalsContact C-N 3.27Å; E1020-N1022 PolarHBondContact O-N 3.14Å; N1022-I1026 WeakPolarHBondContact O-CD1 3.36Å; N1022-I1026 VanDerWaalsContact O-CG1 3.23Å; N1022-I1026 WeakPolarHBondContact O-CG1 3.36Å; N1022-I1026 PolarHBondContact O-N 3.34Å; N1022-K1074 WeakPolarHBondContact OD1-CE 3.41Å; N1022-K1074 PolarHBondContact OD1-NZ 3.26Å
1023	N	88.7	Confident	88.1	Confident	65 Å²	65	53.9 Å²	53.9	35%	0.348	27%	0.269	S	S	.	.	H	α-helix	trans	-66.9	-43.7	174.9	-63	-26.6	0	0	0	111.8	L1012 R1019 E1020 L1025 I1026 I1027	L1012-N1023 HydrophobicContact CD1-CB 4.37Å; R1019-N1023 PolarHBondContact O-N 2.94Å; R1019-N1023 VanDerWaalsContact O-N 3.13Å; R1019-N1023 PolarHBondContact O-ND2 3.01Å; R1019-N1023 PolarHBondContact O-OD1 2.78Å; E1020-N1023 CarbonylContact O-C 3.58Å; E1020-N1023 WeakPolarHBondContact O-CA 3.49Å; E1020-N1023 WeakPolarHBondContact O-CB 3.45Å; E1020-N1023 PolarHBondContact O-N 3.41Å; N1023-L1025 VanDerWaalsContact C-N 3.35Å; N1023-L1025 PolarHBondContact O-N 3.33Å; N1023-I1026 WeakPolarHBondContact O-CB 3.38Å; N1023-I1026 PolarHBondContact O-N 3.11Å; N1023-I1027 WeakPolarHBondContact O-CG1 3.17Å; N1023-I1027 PolarHBondContact O-N 3.18Å
1024	G	90.6	Very high	87.8	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-60.3	-44.3	175.9	0	0	0	0	0	111.8	A1009 E1020 V1021 I1026 I1027 M1028	A1009-G1024 WeakPolarHBondContact CB-O 3.45Å; E1020-G1024 PolarHBondContact O-N 2.63Å; V1021-G1024 PolarHBondContact O-N 3.1Å; G1024-I1026 VanDerWaalsContact C-N 3.34Å; G1024-I1026 PolarHBondContact O-N 2.84Å; G1024-I1027 WeakPolarHBondContact O-CB 3.37Å; G1024-I1027 PolarHBondContact O-N 3.12Å; G1024-M1028 PolarHBondContact O-N 2.86Å
1025	L	90.2	Very high	87.4	Confident	19 Å²	19	49.2 Å²	49.2	10%	0.099	25%	0.247	C	C	.	.	H	α-helix	trans	-66.3	-32.3	174.8	-67.4	170.9	0	0	0	112.9	F1013 V1021 N1023 M1028 N1029 W1059 K1074 F1078	F1013-L1025 HydrophobicContact CD2-CD1 4.47Å; F1013-L1025 HydrophobicContact CD2-CD2 4.37Å; F1013-L1025 HydrophobicContact CD2-CG 4.32Å; F1013-L1025 HydrophobicContact CE2-CD1 4.4Å; V1021-L1025 HydrophobicContact CG1-CD1 4.16Å; V1021-L1025 WeakPolarHBondContact O-CG 3.47Å; V1021-L1025 PolarHBondContact O-N 3.39Å; N1023-L1025 VanDerWaalsContact C-N 3.35Å; N1023-L1025 PolarHBondContact O-N 3.33Å; L1025-M1028 PolarHBondContact O-N 3.13Å; L1025-N1029 WeakPolarHBondContact O-CB 3.38Å; L1025-N1029 PolarHBondContact O-N 2.65Å; L1025-N1029 PolarHBondContact O-ND2 2.91Å; L1025-W1059 HydrophobicContact CD2-CH2 4.35Å; L1025-W1059 HydrophobicContact CD2-CZ3 4.17Å; L1025-K1074 HydrophobicContact CD1-CB 3.86Å; L1025-K1074 HydrophobicContact CD1-CD 4.06Å; L1025-K1074 HydrophobicContact CD1-CG 4.4Å; L1025-F1078 HydrophobicContact CD2-CB 3.94Å; L1025-F1078 HydrophobicContact CD2-CD1 3.87Å; L1025-F1078 HydrophobicContact CD2-CD2 4.33Å; L1025-F1078 HydrophobicContact CD2-CG 3.75Å
1026	I	89.7	Confident	87.1	Confident	79 Å²	79	46.8 Å²	46.8	41%	0.405	23%	0.231	S	C	.	.	H	α-helix	trans	-63.6	-45.4	170.1	-74.1	162.2	0	0	0	110.6	N1022 N1023 G1024 M1028 N1029 E1030	N1022-I1026 WeakPolarHBondContact O-CD1 3.36Å; N1022-I1026 VanDerWaalsContact O-CG1 3.23Å; N1022-I1026 WeakPolarHBondContact O-CG1 3.36Å; N1022-I1026 PolarHBondContact O-N 3.34Å; N1023-I1026 WeakPolarHBondContact O-CB 3.38Å; N1023-I1026 PolarHBondContact O-N 3.11Å; G1024-I1026 VanDerWaalsContact C-N 3.34Å; G1024-I1026 PolarHBondContact O-N 2.84Å; I1026-M1028 VanDerWaalsContact C-N 3.31Å; I1026-M1028 PolarHBondContact O-N 3.23Å; I1026-N1029 PolarHBondContact O-N 3.08Å; I1026-E1030 HydrophobicContact CG2-CG 4.26Å; I1026-E1030 WeakPolarHBondContact O-CB 3.18Å; I1026-E1030 PolarHBondContact O-N 3.18Å
1027	I	88.9	Confident	87	Confident	22 Å²	22	45.9 Å²	45.9	11%	0.113	22%	0.219	C	C	.	.	I	π-helix	trans	-56.7	-46.6	175.7	-65.7	165.9	0	0	0	110.3	L1005 A1009 L1012 N1023 G1024 F1031 I1032	L1005-I1027 HydrophobicContact CB-CG2 4.19Å; L1005-I1027 HydrophobicContact CD2-CG2 4.26Å; A1009-I1027 HydrophobicContact CB-CB 4.12Å; A1009-I1027 HydrophobicContact CB-CG2 4.03Å; L1012-I1027 HydrophobicContact CD1-CD1 3.78Å; N1023-I1027 WeakPolarHBondContact O-CG1 3.17Å; N1023-I1027 PolarHBondContact O-N 3.18Å; G1024-I1027 WeakPolarHBondContact O-CB 3.37Å; G1024-I1027 PolarHBondContact O-N 3.12Å; I1027-F1031 CarbonylContact O-C 3.59Å; I1027-F1031 WeakPolarHBondContact O-CA 3.28Å; I1027-F1031 WeakPolarHBondContact O-CB 3.29Å; I1027-F1031 PolarHBondContact O-N 3.12Å; I1027-I1032 HydrophobicContact CG2-CD1 4.04Å; I1027-I1032 PolarHBondContact O-N 2.66Å
1028	M	90.3	Very high	86.4	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	20%	0.199	C	C	.	.	I	π-helix	trans	-61.8	-53.4	176.9	-65.6	-54.3	-63.7	0	0	113.3	N1006 A1009 G1024 L1025 I1026 I1032 V1033 W1059 F1078 L1082	N1006-M1028 WeakPolarHBondContact OD1-CE 3.31Å; A1009-M1028 HydrophobicContact CB-CG 3.9Å; A1009-M1028 HydrophobicContact CB-SD 3.72Å; G1024-M1028 PolarHBondContact O-N 2.86Å; L1025-M1028 PolarHBondContact O-N 3.13Å; I1026-M1028 VanDerWaalsContact C-N 3.31Å; I1026-M1028 PolarHBondContact O-N 3.23Å; M1028-I1032 HydrophobicContact CE-CB 4.26Å; M1028-I1032 HydrophobicContact CE-CD1 4.13Å; M1028-I1032 HydrophobicContact CE-CG2 3.88Å; M1028-I1032 PolarHBondContact O-N 2.86Å; M1028-I1032 HydrophobicContact SD-CB 4.4Å; M1028-I1032 HydrophobicContact SD-CD1 3.36Å; M1028-I1032 WeakPolarHBondContact SD-CD1 3.32Å; M1028-I1032 HydrophobicContact SD-CG1 4.46Å; M1028-V1033 WeakPolarHBondContact O-CG2 3.3Å; M1028-V1033 PolarHBondContact O-N 3.24Å; M1028-W1059 HydrophobicContact CE-CZ2 4.46Å; M1028-W1059 VanDerWaalsContact CE-NE1 3.32Å; M1028-W1059 HydrophobicContact CG-CH2 4.05Å; M1028-W1059 HydrophobicContact CG-CZ2 3.43Å; M1028-W1059 VanDerWaalsContact CG-CZ2 3.43Å; M1028-W1059 HydrophobicContact SD-CZ2 3.64Å; M1028-W1059 PolarHBondContact SD-NE1 2.64Å; M1028-W1059 VanDerWaalsContact SD-NE1 3.41Å; M1028-F1078 HydrophobicContact CB-CE1 4.25Å; M1028-F1078 HydrophobicContact CB-CE2 3.62Å; M1028-F1078 HydrophobicContact CB-CZ 3.45Å; M1028-F1078 VanDerWaalsContact CB-CZ 3.45Å; M1028-F1078 HydrophobicContact CE-CE1 4.25Å; M1028-F1078 HydrophobicContact CE-CZ 3.71Å; M1028-F1078 HydrophobicContact CG-CE1 4.11Å; M1028-F1078 HydrophobicContact CG-CE2 4.37Å; M1028-F1078 HydrophobicContact CG-CZ 3.73Å; M1028-L1082 HydrophobicContact CE-CD1 3.9Å; M1028-L1082 HydrophobicContact CE-CD2 4.42Å
1029	N	87.1	Confident	85.9	Confident	44 Å²	44	37.1 Å²	37.1	24%	0.235	18%	0.176	C	C	.	.	I	π-helix	trans	-73.8	-32.6	-172.8	-74.9	-103.4	0	0	0	112.6	L1025 I1026 P1034 F1078 K1081	L1025-N1029 WeakPolarHBondContact O-CB 3.38Å; L1025-N1029 PolarHBondContact O-N 2.65Å; L1025-N1029 PolarHBondContact O-ND2 2.91Å; I1026-N1029 PolarHBondContact O-N 3.08Å; N1029-P1034 WeakPolarHBondContact O-CD 3.31Å; N1029-P1034 VanDerWaalsContact O-CG 3.3Å; N1029-P1034 WeakPolarHBondContact O-CG 3.32Å; N1029-F1078 WeakPolarHBondContact ND2-CD2 3.39Å; N1029-K1081 VanDerWaalsContact OD1-CD 3.3Å; N1029-K1081 WeakPolarHBondContact OD1-CD 3.42Å; N1029-K1081 PolarHBondContact OD1-NZ 3.32Å
1030	E	85.1	Confident	85.2	Confident	101 Å²	101	31.9 Å²	31.9	47%	0.472	16%	0.162	S	C	.	.	I	π-helix	trans	-92	-36.2	-177.2	-64.6	-162.3	150.5	0	0	113.6	I1026 K1090	I1026-E1030 HydrophobicContact CG2-CG 4.26Å; I1026-E1030 WeakPolarHBondContact O-CB 3.18Å; I1026-E1030 PolarHBondContact O-N 3.18Å; E1030-K1090 PolarHBondContact O-NZ 3.39Å
1031	F	83.8	Confident	84	Confident	55 Å²	55	32.9 Å²	32.9	24%	0.241	17%	0.172	C	C	.	.	I	π-helix	trans	-125.2	-3.5	-165.6	-58.5	-84.1	0	0	0	116.2	I964 L967 I1027 F1035	I964-F1031 HydrophobicContact CG2-CD1 3.58Å; I964-F1031 HydrophobicContact CG2-CE1 3.55Å; I964-F1031 HydrophobicContact CG2-CG 4.13Å; I964-F1031 HydrophobicContact CG2-CZ 4.1Å; L967-F1031 WeakPolarHBondContact CD2-O 3.41Å; I1027-F1031 CarbonylContact O-C 3.59Å; I1027-F1031 WeakPolarHBondContact O-CA 3.28Å; I1027-F1031 WeakPolarHBondContact O-CB 3.29Å; I1027-F1031 PolarHBondContact O-N 3.12Å; F1031-F1035 VanDerWaalsContact O-CD2 3.23Å; F1031-F1035 WeakPolarHBondContact O-CD2 3.3Å
1032	I	87.7	Confident	82.5	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.185	C	C	.	.	I	π-helix	trans	-118.1	-64.8	174.6	-67.1	162.9	0	0	0	110.7	L1002 L1005 N1006 I1027 M1028 P1034 F1035 L1036 M1055	L1002-I1032 HydrophobicContact CD2-CB 4.29Å; L1002-I1032 HydrophobicContact CD2-CG1 4.02Å; L1002-I1032 HydrophobicContact CD2-CG2 4.24Å; L1005-I1032 HydrophobicContact CB-CD1 3.81Å; L1005-I1032 HydrophobicContact CB-CG1 4.16Å; N1006-I1032 HydrophobicContact CB-CD1 4.11Å; I1027-I1032 HydrophobicContact CG2-CD1 4.04Å; I1027-I1032 PolarHBondContact O-N 2.66Å; M1028-I1032 HydrophobicContact CE-CB 4.26Å; M1028-I1032 HydrophobicContact CE-CD1 4.13Å; M1028-I1032 HydrophobicContact CE-CG2 3.88Å; M1028-I1032 PolarHBondContact O-N 2.86Å; M1028-I1032 HydrophobicContact SD-CB 4.4Å; M1028-I1032 HydrophobicContact SD-CD1 3.36Å; M1028-I1032 WeakPolarHBondContact SD-CD1 3.32Å; M1028-I1032 HydrophobicContact SD-CG1 4.46Å; I1032-P1034 VanDerWaalsContact C-CD 3.43Å; I1032-P1034 VanDerWaalsContact C-N 3.33Å; I1032-F1035 PolarHBondContact O-N 3.41Å; I1032-L1036 HydrophobicContact CG2-CD1 4.48Å; I1032-L1036 HydrophobicContact CG2-CD2 3.9Å; I1032-L1036 HydrophobicContact CG2-CG 4.26Å; I1032-L1036 PolarHBondContact O-N 2.79Å; I1032-L1036 VanDerWaalsContact O-N 3.16Å; I1032-M1055 HydrophobicContact CG2-SD 3.95Å
1033	V	87.4	Confident	80.6	Confident	13 Å²	13	41.2 Å²	41.2	8%	0.079	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-49.2	-44.8	-176.3	171.6	0	0	0	0	113.2	M1028 F1035 L1036 P1037 F1078 K1081 L1082	M1028-V1033 WeakPolarHBondContact O-CG2 3.3Å; M1028-V1033 PolarHBondContact O-N 3.24Å; V1033-F1035 PolarHBondContact O-N 3.12Å; V1033-F1035 VanDerWaalsContact O-N 3.17Å; V1033-L1036 PolarHBondContact O-N 3.28Å; V1033-P1037 VanDerWaalsContact O-CD 3.32Å; V1033-P1037 WeakPolarHBondContact O-CD 3.45Å; V1033-F1078 HydrophobicContact CG2-CE2 3.97Å; V1033-F1078 HydrophobicContact CG2-CZ 4.25Å; V1033-K1081 HydrophobicContact CG1-CB 4.49Å; V1033-K1081 WeakPolarHBondContact CG1-O 3.49Å; V1033-L1082 HydrophobicContact CG2-CD1 4.03Å
1034	P	85	Confident	78.8	Confident	1 Å²	1	46.2 Å²	46.2	1%	0.006	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-70.8	-9.8	-179.1	-18.9	33.8	0	0	0	115.4	N1029 I1032 K1090	N1029-P1034 WeakPolarHBondContact O-CD 3.31Å; N1029-P1034 VanDerWaalsContact O-CG 3.3Å; N1029-P1034 WeakPolarHBondContact O-CG 3.32Å; I1032-P1034 VanDerWaalsContact C-CD 3.43Å; I1032-P1034 VanDerWaalsContact C-N 3.33Å; P1034-K1090 HydrophobicContact CB-CB 3.9Å; P1034-K1090 HydrophobicContact CB-CD 3.53Å; P1034-K1090 HydrophobicContact CB-CG 3.69Å; P1034-K1090 HydrophobicContact CG-CD 3.81Å; P1034-K1090 HydrophobicContact CG-CG 4.38Å
1035	F	80.6	Confident	77.6	Confident	11 Å²	11	48.1 Å²	48.1	5%	0.048	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-109.3	-10.9	177.7	-55.9	-43.7	0	0	0	113.2	L967 L968 I971 F1031 I1032 V1033 P1037 L1038 F1092	L967-F1035 HydrophobicContact CD2-CD2 3.9Å; L967-F1035 HydrophobicContact CD2-CE2 4.28Å; L967-F1035 HydrophobicContact CG-CD2 4.44Å; L968-F1035 HydrophobicContact CD1-CZ 4.42Å; I971-F1035 HydrophobicContact CD1-CB 4.15Å; I971-F1035 HydrophobicContact CD1-CD1 3.86Å; I971-F1035 HydrophobicContact CD1-CD2 3.79Å; I971-F1035 HydrophobicContact CD1-CE1 4.16Å; I971-F1035 HydrophobicContact CD1-CE2 4.1Å; I971-F1035 HydrophobicContact CD1-CG 3.66Å; I971-F1035 HydrophobicContact CD1-CZ 4.28Å; F1031-F1035 VanDerWaalsContact O-CD2 3.23Å; F1031-F1035 WeakPolarHBondContact O-CD2 3.3Å; I1032-F1035 PolarHBondContact O-N 3.41Å; V1033-F1035 PolarHBondContact O-N 3.12Å; V1033-F1035 VanDerWaalsContact O-N 3.17Å; F1035-P1037 VanDerWaalsContact C-CD 3.48Å; F1035-P1037 VanDerWaalsContact C-N 3.31Å; F1035-L1038 HydrophobicContact CD1-CD1 3.86Å; F1035-L1038 WeakPolarHBondContact O-CA 3.26Å; F1035-L1038 WeakPolarHBondContact O-CB 3.41Å; F1035-L1038 PolarHBondContact O-N 3.35Å; F1035-F1092 HydrophobicContact CD1-CE2 4.27Å; F1035-F1092 HydrophobicContact CD1-CZ 4.44Å; F1035-F1092 HydrophobicContact CE1-CE1 4.47Å; F1035-F1092 AromaticContact CE1-CE2 3.56Å; F1035-F1092 HydrophobicContact CE1-CE2 3.56Å; F1035-F1092 AromaticContact CE1-CZ 3.47Å; F1035-F1092 HydrophobicContact CE1-CZ 3.47Å; F1035-F1092 VanDerWaalsContact CE1-CZ 3.47Å; F1035-F1092 HydrophobicContact CZ-CE1 4.37Å; F1035-F1092 HydrophobicContact CZ-CE2 4.19Å; F1035-F1092 AromaticContact CZ-CZ 3.6Å; F1035-F1092 HydrophobicContact CZ-CZ 3.6Å
1036	L	82.8	Confident	76.9	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-55.2	-40.3	170.8	-57.3	179.6	0	0	0	112.4	I1032 V1033 L1038 L1039 L1040 V1052 M1055 L1082	I1032-L1036 HydrophobicContact CG2-CD1 4.48Å; I1032-L1036 HydrophobicContact CG2-CD2 3.9Å; I1032-L1036 HydrophobicContact CG2-CG 4.26Å; I1032-L1036 PolarHBondContact O-N 2.79Å; I1032-L1036 VanDerWaalsContact O-N 3.16Å; V1033-L1036 PolarHBondContact O-N 3.28Å; L1036-L1038 PolarHBondContact O-N 3.42Å; L1036-L1039 PolarHBondContact O-N 3.08Å; L1036-L1040 WeakPolarHBondContact O-CG 3.26Å; L1036-L1040 PolarHBondContact O-N 3.1Å; L1036-V1052 HydrophobicContact CD2-CG2 4.21Å; L1036-M1055 HydrophobicContact CD2-CE 3.47Å; L1036-M1055 VanDerWaalsContact CD2-CE 3.47Å; L1036-M1055 HydrophobicContact CD2-SD 4.25Å; L1036-L1082 HydrophobicContact CD1-CD1 3.66Å
1037	P	80.3	Confident	76.5	Confident	12 Å²	12	55.9 Å²	55.9	8%	0.078	28%	0.275	C	S	.	.	H	α-helix	trans	-58.1	-30.5	172.5	-26.7	36.3	0	0	0	113.9	V1033 F1035 L1039 L1040 V1041 C1085 I1089	V1033-P1037 VanDerWaalsContact O-CD 3.32Å; V1033-P1037 WeakPolarHBondContact O-CD 3.45Å; F1035-P1037 VanDerWaalsContact C-CD 3.48Å; F1035-P1037 VanDerWaalsContact C-N 3.31Å; P1037-L1039 PolarHBondContact O-N 3.41Å; P1037-L1040 PolarHBondContact O-N 3.46Å; P1037-L1040 VanDerWaalsContact O-N 3.1Å; P1037-V1041 VanDerWaalsContact O-CG2 3.24Å; P1037-V1041 WeakPolarHBondContact O-CG2 3.1Å; P1037-V1041 PolarHBondContact O-N 2.99Å; P1037-V1041 VanDerWaalsContact O-N 3.07Å; P1037-C1085 HydrophobicContact CG-CB 4.27Å; P1037-I1089 HydrophobicContact CB-CD1 4.24Å; P1037-I1089 HydrophobicContact CB-CG1 3.79Å; P1037-I1089 HydrophobicContact CG-CG1 4.23Å
1038	L	74.3	Confident	76.3	Confident	31 Å²	31	55 Å²	55	16%	0.162	27%	0.27	C	S	.	.	H	α-helix	trans	-74.3	-12.8	179	-55.9	-179.6	0	0	0	113.4	I971 F1035 L1036 I1089	I971-L1038 HydrophobicContact CG2-CD1 3.88Å; F1035-L1038 HydrophobicContact CD1-CD1 3.86Å; F1035-L1038 WeakPolarHBondContact O-CA 3.26Å; F1035-L1038 WeakPolarHBondContact O-CB 3.41Å; F1035-L1038 PolarHBondContact O-N 3.35Å; L1036-L1038 PolarHBondContact O-N 3.42Å; L1038-I1089 HydrophobicContact CD2-CG2 4.12Å
1039	L	75.8	Confident	76	Confident	3 Å²	3	58.6 Å²	58.6	2%	0.016	29%	0.289	C	S	.	.	H	α-helix	trans	-90	-21.3	167.5	-57.8	-170.7	0	0	0	112.4	R998 L1002 L1036 P1037 D1048 V1052 M1055	R998-L1039 HydrophobicContact CG-CD2 4.28Å; R998-L1039 VanDerWaalsContact NE-CD2 3.26Å; L1002-L1039 HydrophobicContact CD1-CD1 3.68Å; L1002-L1039 HydrophobicContact CD1-CD2 4.16Å; L1002-L1039 HydrophobicContact CD1-CG 4.09Å; L1036-L1039 PolarHBondContact O-N 3.08Å; P1037-L1039 PolarHBondContact O-N 3.41Å; L1039-D1048 HydrophobicContact CB-CB 4.11Å; L1039-V1052 HydrophobicContact CB-CG2 3.96Å; L1039-V1052 HydrophobicContact CD1-CG2 3.71Å; L1039-V1052 HydrophobicContact CG-CG2 4.42Å; L1039-M1055 HydrophobicContact CD1-CE 4.44Å
1040	L	73.5	Confident	76	Confident	73 Å²	73	60.7 Å²	60.7	38%	0.382	30%	0.3	S	S	.	.	H	α-helix	trans	-102.1	-6.3	-172.9	-62	173.6	0	0	0	114	L1036 P1037 I1049 V1052	L1036-L1040 WeakPolarHBondContact O-CG 3.26Å; L1036-L1040 PolarHBondContact O-N 3.1Å; P1037-L1040 PolarHBondContact O-N 3.46Å; P1037-L1040 VanDerWaalsContact O-N 3.1Å; L1040-I1049 HydrophobicContact CD2-CG1 4.48Å; L1040-V1052 HydrophobicContact CD1-CG1 4.39Å; L1040-V1052 HydrophobicContact CD2-CB 4.43Å; L1040-V1052 HydrophobicContact CD2-CG1 4.48Å; L1040-V1052 HydrophobicContact CD2-CG2 4.16Å; L1040-V1052 HydrophobicContact CG-CG2 4.34Å
1041	V	65.3	Low	76.1	Confident	91 Å²	91	56 Å²	56	55%	0.552	28%	0.279	S	S	*	.	S	Bend	trans	-79.3	-16	-179.3	155.7	0	0	0	0	113.4	P1037	P1037-V1041 VanDerWaalsContact O-CG2 3.24Å; P1037-V1041 WeakPolarHBondContact O-CG2 3.1Å; P1037-V1041 PolarHBondContact O-N 2.99Å; P1037-V1041 VanDerWaalsContact O-N 3.07Å
1042	D	57.7	Low	76.3	Confident	49 Å²	49	53.5 Å²	53.5	26%	0.262	27%	0.267	S	S	.	.			trans	-109.4	113.2	177.2	-77.3	-62.9	0	0	0	111.5	K978 M1044	K978-D1042 IonicContact NZ-OD1 3.13Å; K978-D1042 PolarHBondContact NZ-OD1 3.44Å; K978-D1042 IonicContact NZ-OD2 2.73Å; K978-D1042 PolarHBondContact NZ-OD2 2.9Å; D1042-M1044 PolarHBondContact O-N 3.31Å
1043	E	48.5	Very low	76.3	Confident	196 Å²	196	58 Å²	58	92%	0.916	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	20.3	-176	-56.6	-173.4	137.9	0	0	115
1044	M	50.6	Low	76.4	Confident	170 Å²	170	62.1 Å²	62.1	84%	0.837	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-131.3	-14.5	-161.4	-65.8	-131.9	69.3	0	0	117.3	D1042	D1042-M1044 PolarHBondContact O-N 3.31Å
1045	E	64.7	Low	76.7	Confident	40 Å²	40	62.1 Å²	62.1	19%	0.187	31%	0.31	C	S	.	.			trans	-107.2	95.7	175.1	-76.5	-158.6	-117.5	0	0	112.4	S995 R999 K1047 D1048 I1049	S995-E1045 WeakPolarHBondContact CB-OE1 3.33Å; S995-E1045 PolarHBondContact OG-OE1 2.93Å; R999-E1045 IonicContact CZ-OE2 2.61Å; R999-E1045 VanDerWaalsContact CZ-OE2 3.24Å; R999-E1045 IonicContact NH1-OE1 2.64Å; R999-E1045 IonicContact NH1-OE2 2.64Å; R999-E1045 PolarHBondContact NH1-OE2 3.04Å; R999-E1045 IonicContact NH2-OE2 2.64Å; R999-E1045 PolarHBondContact NH2-OE2 3.41Å; E1045-K1047 PolarHBondContact O-N 3.44Å; E1045-K1047 VanDerWaalsContact O-N 3.12Å; E1045-D1048 HydrophobicContact CB-CB 4.11Å; E1045-D1048 WeakPolarHBondContact O-CB 3.31Å; E1045-D1048 PolarHBondContact O-N 3Å; E1045-I1049 PolarHBondContact O-N 2.81Å
1046	E	77.1	Confident	77.3	Confident	155 Å²	155	64.3 Å²	64.3	72%	0.724	32%	0.318	S	S	*	.	H	α-helix	trans	-50.7	-34.3	169.9	-174.3	176.6	-164	0	0	112	D1048 I1049 L1050	E1046-D1048 VanDerWaalsContact C-N 3.33Å; E1046-D1048 PolarHBondContact O-N 2.91Å; E1046-I1049 PolarHBondContact O-N 3.12Å; E1046-L1050 HydrophobicContact CG-CD1 4.23Å; E1046-L1050 VanDerWaalsContact O-CG 3.31Å; E1046-L1050 WeakPolarHBondContact O-CG 3.4Å; E1046-L1050 PolarHBondContact O-N 2.94Å
1047	K	81.3	Confident	77.6	Confident	107 Å²	107	69 Å²	69	47%	0.465	34%	0.343	S	S	.	.	H	α-helix	trans	-62.1	-33	175.1	-63.3	179.7	-178.7	-178.7	0	113.7	E992 R999 E1045 A1051	E992-K1047 IonicContact OE1-NZ 3.78Å; E992-K1047 PolarHBondContact OE1-NZ 3.03Å; R999-K1047 VanDerWaalsContact CD-O 3.31Å; R999-K1047 WeakPolarHBondContact CD-O 3.15Å; E1045-K1047 PolarHBondContact O-N 3.44Å; E1045-K1047 VanDerWaalsContact O-N 3.12Å; K1047-A1051 PolarHBondContact O-N 2.97Å
1048	D	84.6	Confident	78.2	Confident	3 Å²	3	71 Å²	71	2%	0.016	35%	0.349	C	S	.	.	H	α-helix	trans	-77.4	-41.6	178.7	-94.5	-6.5	0	0	0	111.6	R998 R999 L1039 E1045 E1046 A1051 V1052	R998-D1048 IonicContact CZ-OD2 2.64Å; R998-D1048 IonicContact NH2-OD1 3.02Å; R998-D1048 IonicContact NH2-OD2 3.13Å; R998-D1048 PolarHBondContact NH2-OD2 3.29Å; R999-D1048 WeakPolarHBondContact CD-OD1 3.3Å; R999-D1048 WeakPolarHBondContact CG-OD1 3.39Å; R999-D1048 IonicContact CZ-OD1 2.91Å; R999-D1048 IonicContact NE-OD1 3.51Å; R999-D1048 VanDerWaalsContact NH1-CG 3.27Å; R999-D1048 IonicContact NH1-OD1 3.82Å; R999-D1048 PolarHBondContact NH1-OD1 2.89Å; R999-D1048 IonicContact NH1-OD2 3.1Å; L1039-D1048 HydrophobicContact CB-CB 4.11Å; E1045-D1048 HydrophobicContact CB-CB 4.11Å; E1045-D1048 WeakPolarHBondContact O-CB 3.31Å; E1045-D1048 PolarHBondContact O-N 3Å; E1046-D1048 VanDerWaalsContact C-N 3.33Å; E1046-D1048 PolarHBondContact O-N 2.91Å; D1048-A1051 PolarHBondContact O-N 3.09Å; D1048-V1052 WeakPolarHBondContact O-CG2 3.24Å; D1048-V1052 PolarHBondContact O-N 2.83Å; D1048-V1052 VanDerWaalsContact O-N 3.09Å
1049	I	84.1	Confident	79.1	Confident	75 Å²	75	69.5 Å²	69.5	39%	0.385	34%	0.341	S	S	.	.	H	α-helix	trans	-60.1	-48.9	175.5	-61.1	173	0	0	0	109.9	L1040 E1045 E1046 A1051 V1052 E1053	L1040-I1049 HydrophobicContact CD2-CG1 4.48Å; E1045-I1049 PolarHBondContact O-N 2.81Å; E1046-I1049 PolarHBondContact O-N 3.12Å; I1049-A1051 VanDerWaalsContact C-N 3.32Å; I1049-A1051 PolarHBondContact O-N 3.34Å; I1049-V1052 PolarHBondContact O-N 2.87Å; I1049-V1052 VanDerWaalsContact O-N 3.1Å; I1049-E1053 HydrophobicContact CG2-CG 4.5Å; I1049-E1053 PolarHBondContact O-N 3.12Å
1050	L	86.2	Confident	79.7	Confident	88 Å²	88	71 Å²	71	46%	0.461	35%	0.352	S	S	.	.	H	α-helix	trans	-58.3	-41	177.3	-72	169.5	0	0	0	112.4	E1046 V1052 E1053 D1054	E1046-L1050 HydrophobicContact CG-CD1 4.23Å; E1046-L1050 VanDerWaalsContact O-CG 3.31Å; E1046-L1050 WeakPolarHBondContact O-CG 3.4Å; E1046-L1050 PolarHBondContact O-N 2.94Å; L1050-V1052 VanDerWaalsContact C-N 3.34Å; L1050-V1052 PolarHBondContact O-N 2.87Å; L1050-E1053 PolarHBondContact O-N 2.79Å; L1050-D1054 PolarHBondContact O-N 2.62Å
1051	A	87.4	Confident	80.5	Confident	4 Å²	4	70.3 Å²	70.3	3%	0.033	35%	0.353	C	S	.	.	H	α-helix	trans	-64.7	-35.9	176.4	0	0	0	0	0	112.8	R999 L1003 K1047 D1048 I1049 M1055	R999-A1051 HydrophobicContact CG-CB 4.19Å; L1003-A1051 HydrophobicContact CD1-CB 4.31Å; L1003-A1051 HydrophobicContact CD2-CB 4.23Å; L1003-A1051 HydrophobicContact CG-CB 4.39Å; K1047-A1051 PolarHBondContact O-N 2.97Å; D1048-A1051 PolarHBondContact O-N 3.09Å; I1049-A1051 VanDerWaalsContact C-N 3.32Å; I1049-A1051 PolarHBondContact O-N 3.34Å; A1051-M1055 VanDerWaalsContact O-CE 3.28Å; A1051-M1055 WeakPolarHBondContact O-CE 3.44Å; A1051-M1055 WeakPolarHBondContact O-CG 3.22Å; A1051-M1055 PolarHBondContact O-N 3.39Å
1052	V	88.4	Confident	81.6	Confident	1 Å²	1	66.4 Å²	66.4	1%	0.006	33%	0.328	C	S	.	.	H	α-helix	trans	-69	-39.3	173.3	177.8	0	0	0	0	111.4	L1036 L1039 L1040 D1048 I1049 L1050 R1056	L1036-V1052 HydrophobicContact CD2-CG2 4.21Å; L1039-V1052 HydrophobicContact CB-CG2 3.96Å; L1039-V1052 HydrophobicContact CD1-CG2 3.71Å; L1039-V1052 HydrophobicContact CG-CG2 4.42Å; L1040-V1052 HydrophobicContact CD1-CG1 4.39Å; L1040-V1052 HydrophobicContact CD2-CB 4.43Å; L1040-V1052 HydrophobicContact CD2-CG1 4.48Å; L1040-V1052 HydrophobicContact CD2-CG2 4.16Å; L1040-V1052 HydrophobicContact CG-CG2 4.34Å; D1048-V1052 WeakPolarHBondContact O-CG2 3.24Å; D1048-V1052 PolarHBondContact O-N 2.83Å; D1048-V1052 VanDerWaalsContact O-N 3.09Å; I1049-V1052 PolarHBondContact O-N 2.87Å; I1049-V1052 VanDerWaalsContact O-N 3.1Å; L1050-V1052 VanDerWaalsContact C-N 3.34Å; L1050-V1052 PolarHBondContact O-N 2.87Å; V1052-R1056 WeakPolarHBondContact O-CG 3.42Å; V1052-R1056 PolarHBondContact O-N 3.4Å
1053	E	88	Confident	82.8	Confident	96 Å²	96	69.2 Å²	69.2	45%	0.449	34%	0.343	S	S	.	.	H	α-helix	trans	-66.2	-43.2	175.6	-70.7	-172.8	163.3	0	0	112.1	I1049 L1050 M1055 R1056 N1057	I1049-E1053 HydrophobicContact CG2-CG 4.5Å; I1049-E1053 PolarHBondContact O-N 3.12Å; L1050-E1053 PolarHBondContact O-N 2.79Å; E1053-M1055 PolarHBondContact O-N 3.09Å; E1053-R1056 PolarHBondContact O-N 3.32Å; E1053-N1057 VanDerWaalsContact O-CB 3.28Å; E1053-N1057 WeakPolarHBondContact O-CB 3.36Å; E1053-N1057 PolarHBondContact O-N 3.5Å; E1053-N1057 PolarHBondContact O-ND2 2.96Å
1054	D	89.5	Confident	84	Confident	99 Å²	99	63.9 Å²	63.9	53%	0.529	34%	0.341	S	S	.	.	H	α-helix	trans	-59.8	-44.3	175.3	-80.9	-22.9	0	0	0	112	L1003 L1050 N1057 R1058	L1003-D1054 HydrophobicContact CD2-CB 4.46Å; L1050-D1054 PolarHBondContact O-N 2.62Å; D1054-N1057 PolarHBondContact O-N 2.91Å; D1054-R1058 WeakPolarHBondContact O-CB 3.36Å; D1054-R1058 PolarHBondContact O-N 2.98Å
1055	M	91.4	Very high	85.6	Confident	1 Å²	1	60.9 Å²	60.9	1%	0.005	32%	0.324	C	S	.	.	H	α-helix	trans	-61.3	-45.5	174.4	-70.5	-172.8	-81.6	0	0	111.6	L1002 L1003 N1006 I1032 L1036 L1039 A1051 E1053 R1058 W1059	L1002-M1055 HydrophobicContact CB-CE 4.04Å; L1002-M1055 HydrophobicContact CB-SD 4.07Å; L1003-M1055 HydrophobicContact CD2-CG 3.95Å; N1006-M1055 HydrophobicContact CB-CG 3.73Å; N1006-M1055 HydrophobicContact CB-SD 3.82Å; I1032-M1055 HydrophobicContact CG2-SD 3.95Å; L1036-M1055 HydrophobicContact CD2-CE 3.47Å; L1036-M1055 VanDerWaalsContact CD2-CE 3.47Å; L1036-M1055 HydrophobicContact CD2-SD 4.25Å; L1039-M1055 HydrophobicContact CD1-CE 4.44Å; A1051-M1055 VanDerWaalsContact O-CE 3.28Å; A1051-M1055 WeakPolarHBondContact O-CE 3.44Å; A1051-M1055 WeakPolarHBondContact O-CG 3.22Å; A1051-M1055 PolarHBondContact O-N 3.39Å; E1053-M1055 PolarHBondContact O-N 3.09Å; M1055-R1058 PolarHBondContact O-N 2.99Å; M1055-W1059 PolarHBondContact O-N 2.85Å
1056	R	91.3	Very high	86.1	Confident	56 Å²	56	68.7 Å²	68.7	21%	0.211	36%	0.361	C	S	.	.	H	α-helix	trans	-61	-46.2	175.5	-77	169.3	169.3	175.9	-4.3	112.1	V1052 E1053 R1058 W1059 C1060 L1082 L1083 C1085	V1052-R1056 WeakPolarHBondContact O-CG 3.42Å; V1052-R1056 PolarHBondContact O-N 3.4Å; E1053-R1056 PolarHBondContact O-N 3.32Å; R1056-R1058 VanDerWaalsContact C-N 3.35Å; R1056-R1058 PolarHBondContact O-N 3Å; R1056-W1059 PolarHBondContact O-N 3.04Å; R1056-C1060 VanDerWaalsContact O-CB 3.31Å; R1056-C1060 WeakPolarHBondContact O-CB 3.49Å; R1056-C1060 PolarHBondContact O-N 3.12Å; R1056-C1060 PolarHBondContact O-SG 3.42Å; R1056-C1060 VanDerWaalsContact O-SG 3.4Å; R1056-L1082 HydrophobicContact CG-CG 4.08Å; R1056-L1082 PolarHBondContact NE-O 3.18Å; R1056-L1082 PolarHBondContact NH2-O 3.25Å; R1056-L1083 HydrophobicContact CG-CD2 4.26Å; R1056-L1083 PolarHBondContact NH2-O 3.39Å; R1056-C1085 PolarHBondContact NH2-SG 3.03Å
1057	N	90.8	Very high	86.5	Confident	98 Å²	98	63.8 Å²	63.8	52%	0.524	34%	0.339	S	S	.	.	H	α-helix	trans	-61.3	-40.8	179.2	-72.7	-33.9	0	0	0	111.6	E1053 D1054 W1059 C1060 S1061	E1053-N1057 VanDerWaalsContact O-CB 3.28Å; E1053-N1057 WeakPolarHBondContact O-CB 3.36Å; E1053-N1057 PolarHBondContact O-N 3.5Å; E1053-N1057 PolarHBondContact O-ND2 2.96Å; D1054-N1057 PolarHBondContact O-N 2.91Å; N1057-W1059 PolarHBondContact O-N 2.93Å; N1057-C1060 PolarHBondContact O-N 3.49Å; N1057-S1061 WeakPolarHBondContact O-CB 3.47Å; N1057-S1061 PolarHBondContact O-N 3.24Å
1058	R	92.4	Very high	86.7	Confident	54 Å²	54	64.5 Å²	64.5	20%	0.204	34%	0.344	C	S	.	.	H	α-helix	trans	-56.6	-49	176.1	-175.2	66.1	171.9	102.3	-3.8	111.8	E1007 A1010 E1014 D1054 M1055 R1056 S1061 Y1062	E1007-R1058 IonicContact OE1-CZ 2.82Å; E1007-R1058 VanDerWaalsContact OE1-CZ 3.24Å; E1007-R1058 IonicContact OE1-NE 2.64Å; E1007-R1058 PolarHBondContact OE1-NE 3.17Å; E1007-R1058 IonicContact OE1-NH2 2.68Å; E1007-R1058 PolarHBondContact OE1-NH2 2.81Å; E1007-R1058 IonicContact OE2-CZ 2.89Å; E1007-R1058 IonicContact OE2-NE 2.7Å; E1007-R1058 PolarHBondContact OE2-NE 2.91Å; A1010-R1058 HydrophobicContact CB-CG 4.26Å; E1014-R1058 IonicContact OE1-CZ 3.72Å; E1014-R1058 VanDerWaalsContact OE1-CZ 3.24Å; E1014-R1058 IonicContact OE1-NH1 2.85Å; E1014-R1058 PolarHBondContact OE1-NH1 2.78Å; E1014-R1058 IonicContact OE1-NH2 3.86Å; E1014-R1058 PolarHBondContact OE1-NH2 2.83Å; E1014-R1058 IonicContact OE2-NH2 2.79Å; D1054-R1058 WeakPolarHBondContact O-CB 3.36Å; D1054-R1058 PolarHBondContact O-N 2.98Å; M1055-R1058 PolarHBondContact O-N 2.99Å; R1056-R1058 VanDerWaalsContact C-N 3.35Å; R1056-R1058 PolarHBondContact O-N 3Å; R1058-S1061 WeakPolarHBondContact O-CB 3.35Å; R1058-S1061 PolarHBondContact O-N 3.45Å; R1058-S1061 PolarHBondContact O-OG 3.32Å; R1058-Y1062 PolarHBondContact NH1-OH 3.01Å
1059	W	91.9	Very high	86.6	Confident	0 Å²	0	68.7 Å²	68.7	0%	0	37%	0.371	C	S	.	.	H	α-helix	trans	-77.3	-35.9	-179.9	-72.2	91.3	0	0	0	113.4	N1006 A1009 A1010 F1013 L1025 M1028 M1055 R1056 N1057 S1061 Y1062 L1075 F1078 L1079 L1082	N1006-W1059 VanDerWaalsContact OD1-CD1 3.29Å; N1006-W1059 PolarHBondContact OD1-NE1 2.76Å; A1009-W1059 HydrophobicContact CB-CZ2 3.95Å; A1010-W1059 HydrophobicContact CB-CZ2 4.47Å; F1013-W1059 HydrophobicContact CB-CH2 3.76Å; F1013-W1059 HydrophobicContact CB-CZ3 3.98Å; F1013-W1059 HydrophobicContact CD1-CZ3 4.14Å; F1013-W1059 HydrophobicContact CD2-CH2 4.18Å; F1013-W1059 AromaticContact CD2-CZ3 3.76Å; F1013-W1059 HydrophobicContact CD2-CZ3 3.76Å; F1013-W1059 HydrophobicContact CE2-CZ3 4.32Å; F1013-W1059 AromaticContact CG-CH2 3.99Å; F1013-W1059 HydrophobicContact CG-CH2 3.99Å; F1013-W1059 AromaticContact CG-CZ3 3.68Å; F1013-W1059 HydrophobicContact CG-CZ3 3.68Å; L1025-W1059 HydrophobicContact CD2-CH2 4.35Å; L1025-W1059 HydrophobicContact CD2-CZ3 4.17Å; M1028-W1059 HydrophobicContact CE-CZ2 4.46Å; M1028-W1059 VanDerWaalsContact CE-NE1 3.32Å; M1028-W1059 HydrophobicContact CG-CH2 4.05Å; M1028-W1059 HydrophobicContact CG-CZ2 3.43Å; M1028-W1059 VanDerWaalsContact CG-CZ2 3.43Å; M1028-W1059 HydrophobicContact SD-CZ2 3.64Å; M1028-W1059 PolarHBondContact SD-NE1 2.64Å; M1028-W1059 VanDerWaalsContact SD-NE1 3.41Å; M1055-W1059 PolarHBondContact O-N 2.85Å; R1056-W1059 PolarHBondContact O-N 3.04Å; N1057-W1059 PolarHBondContact O-N 2.93Å; W1059-S1061 PolarHBondContact O-N 2.87Å; W1059-Y1062 HydrophobicContact CD2-CE2 4.24Å; W1059-Y1062 HydrophobicContact CE3-CD2 4.1Å; W1059-Y1062 AromaticContact CE3-CE2 3.83Å; W1059-Y1062 HydrophobicContact CE3-CE2 3.83Å; W1059-Y1062 HydrophobicContact CZ3-CE2 4.23Å; W1059-Y1062 WeakPolarHBondContact O-CD2 3.42Å; W1059-Y1062 PolarHBondContact O-N 3.14Å; W1059-L1075 HydrophobicContact CE3-CD1 4.05Å; W1059-F1078 HydrophobicContact CD2-CD1 4.36Å; W1059-F1078 AromaticContact CD2-CE1 3.74Å; W1059-F1078 HydrophobicContact CD2-CE1 3.74Å; W1059-F1078 AromaticContact CE3-CD1 3.97Å; W1059-F1078 HydrophobicContact CE3-CD1 3.97Å; W1059-F1078 AromaticContact CE3-CE1 3.81Å; W1059-F1078 HydrophobicContact CE3-CE1 3.81Å; W1059-F1078 HydrophobicContact CG-CE1 4.08Å; W1059-F1078 HydrophobicContact CZ3-CD1 4.29Å; W1059-F1078 HydrophobicContact CZ3-CE1 4.29Å; W1059-L1079 HydrophobicContact CB-CD2 3.91Å; W1059-L1082 HydrophobicContact CB-CD2 3.56Å; W1059-L1082 HydrophobicContact CG-CD2 3.74Å
1060	C	90	Very high	86.6	Confident	36 Å²	36	68.1 Å²	68.1	24%	0.243	37%	0.367	C	S	.	.	H	α-helix	trans	-65.9	-23.9	172.9	-73.6	0	0	0	0	112.7	R1056 N1057 Y1062 L1063	R1056-C1060 VanDerWaalsContact O-CB 3.31Å; R1056-C1060 WeakPolarHBondContact O-CB 3.49Å; R1056-C1060 PolarHBondContact O-N 3.12Å; R1056-C1060 PolarHBondContact O-SG 3.42Å; R1056-C1060 VanDerWaalsContact O-SG 3.4Å; N1057-C1060 PolarHBondContact O-N 3.49Å; C1060-Y1062 PolarHBondContact O-N 2.89Å; C1060-L1063 HydrophobicContact CB-CD1 4.4Å; C1060-L1063 VanDerWaalsContact O-CB 3.3Å; C1060-L1063 WeakPolarHBondContact O-CB 3.36Å; C1060-L1063 PolarHBondContact O-N 2.91Å
1061	S	89.7	Confident	86.6	Confident	57 Å²	57	64.8 Å²	64.8	40%	0.399	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-23.1	177.5	79.3	0	0	0	0	113.9	N1057 R1058 W1059 L1063 Q1065	N1057-S1061 WeakPolarHBondContact O-CB 3.47Å; N1057-S1061 PolarHBondContact O-N 3.24Å; R1058-S1061 WeakPolarHBondContact O-CB 3.35Å; R1058-S1061 PolarHBondContact O-N 3.45Å; R1058-S1061 PolarHBondContact O-OG 3.32Å; W1059-S1061 PolarHBondContact O-N 2.87Å; S1061-L1063 VanDerWaalsContact C-N 3.29Å; S1061-L1063 PolarHBondContact O-N 2.84Å; S1061-Q1065 PolarHBondContact O-NE2 3.34Å
1062	Y	88.3	Confident	86.5	Confident	10 Å²	10	69.8 Å²	69.8	4%	0.039	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-17.2	175.4	-58.9	-53.7	0	0	0	113.4	F1013 E1014 R1058 W1059 C1060 G1064 Q1065 M1067 L1075	F1013-Y1062 HydrophobicContact CD1-CD2 4.42Å; F1013-Y1062 HydrophobicContact CD1-CE2 4.05Å; F1013-Y1062 HydrophobicContact CE1-CD2 4.35Å; F1013-Y1062 HydrophobicContact CE1-CE2 4.44Å; E1014-Y1062 HydrophobicContact CG-CE1 3.96Å; E1014-Y1062 WeakPolarHBondContact CG-OH 3.33Å; E1014-Y1062 VanDerWaalsContact OE1-CE1 3.31Å; E1014-Y1062 WeakPolarHBondContact OE1-CE1 3.49Å; E1014-Y1062 PolarHBondContact OE1-OH 3.14Å; R1058-Y1062 PolarHBondContact NH1-OH 3.01Å; W1059-Y1062 HydrophobicContact CD2-CE2 4.24Å; W1059-Y1062 HydrophobicContact CE3-CD2 4.1Å; W1059-Y1062 AromaticContact CE3-CE2 3.83Å; W1059-Y1062 HydrophobicContact CE3-CE2 3.83Å; W1059-Y1062 HydrophobicContact CZ3-CE2 4.23Å; W1059-Y1062 WeakPolarHBondContact O-CD2 3.42Å; W1059-Y1062 PolarHBondContact O-N 3.14Å; C1060-Y1062 PolarHBondContact O-N 2.89Å; Y1062-G1064 PolarHBondContact O-N 3.44Å; Y1062-G1064 VanDerWaalsContact O-N 3.15Å; Y1062-Q1065 PolarHBondContact O-N 2.86Å; Y1062-Q1065 VanDerWaalsContact O-N 3.15Å; Y1062-M1067 WeakPolarHBondContact O-CE 3.38Å; Y1062-L1075 HydrophobicContact CD2-CD1 4.18Å
1063	L	82.9	Confident	86.5	Confident	107 Å²	107	76.1 Å²	76.1	56%	0.56	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	114.5	179.4	-69.8	172.1	0	0	0	111.1	C1060 S1061 L1079	C1060-L1063 HydrophobicContact CB-CD1 4.4Å; C1060-L1063 VanDerWaalsContact O-CB 3.3Å; C1060-L1063 WeakPolarHBondContact O-CB 3.36Å; C1060-L1063 PolarHBondContact O-N 2.91Å; S1061-L1063 VanDerWaalsContact C-N 3.29Å; S1061-L1063 PolarHBondContact O-N 2.84Å; L1063-L1079 HydrophobicContact CD1-CD1 4.06Å; L1063-L1079 HydrophobicContact CD2-CD1 3.56Å; L1063-L1079 HydrophobicContact CG-CD1 3.83Å
1064	G	74.1	Confident	86.5	Confident	85 Å²	85	73.4 Å²	73.4	88%	0.876	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.2	5.2	-179.1	0	0	0	0	0	115.1	Y1062	Y1062-G1064 PolarHBondContact O-N 3.44Å; Y1062-G1064 VanDerWaalsContact O-N 3.15Å
1065	Q	84.6	Confident	86.4	Confident	106 Å²	106	68.9 Å²	68.9	50%	0.495	36%	0.364	S	S	.	.	S	Bend	trans	-78.6	150.2	165.9	-59	-168.2	30.1	0	0	111	S1061 Y1062 M1067	S1061-Q1065 PolarHBondContact O-NE2 3.34Å; Y1062-Q1065 PolarHBondContact O-N 2.86Å; Y1062-Q1065 VanDerWaalsContact O-N 3.15Å; Q1065-M1067 HydrophobicContact CB-CE 4.38Å; Q1065-M1067 PolarHBondContact O-N 3.13Å
1066	E	75	Confident	86.2	Confident	205 Å²	205	72.9 Å²	72.9	96%	0.958	39%	0.389	S	S	*	.			trans	-73.2	118.9	171.4	-67.1	-172.7	161.5	0	0	109.6
1067	M	85.8	Confident	85.9	Confident	51 Å²	51	75.9 Å²	75.9	25%	0.251	41%	0.409	S	S	.	.			trans	-144.6	164.5	-179.2	69	-177.5	70.1	0	0	111.3	Y1062 Q1065 L1071 Q1072 L1075	Y1062-M1067 WeakPolarHBondContact O-CE 3.38Å; Q1065-M1067 HydrophobicContact CB-CE 4.38Å; Q1065-M1067 PolarHBondContact O-N 3.13Å; M1067-L1071 HydrophobicContact SD-CB 4.26Å; M1067-Q1072 HydrophobicContact CG-CB 3.93Å; M1067-Q1072 HydrophobicContact SD-CB 3.84Å; M1067-Q1072 HydrophobicContact SD-CG 4.28Å; M1067-L1075 HydrophobicContact CE-CD2 3.95Å; M1067-L1075 HydrophobicContact SD-CD2 4.19Å
1068	E	84.1	Confident	85.8	Confident	122 Å²	122	71.4 Å²	71.4	57%	0.57	38%	0.384	S	S	*	.			trans	-63.5	140.2	175.8	-76.8	-67.2	157.5	0	0	111.8	H1070 L1071 Q1072	E1068-H1070 PolarHBondContact O-N 3.24Å; E1068-H1070 VanDerWaalsContact O-N 3.1Å; E1068-L1071 HydrophobicContact CB-CD1 4.16Å; E1068-L1071 HydrophobicContact CB-CG 4.17Å; E1068-L1071 WeakPolarHBondContact O-CB 3.48Å; E1068-L1071 PolarHBondContact O-N 2.62Å; E1068-Q1072 PolarHBondContact O-N 2.9Å
1069	P	83.4	Confident	85.6	Confident	91 Å²	91	69.3 Å²	69.3	59%	0.591	38%	0.377	S	S	*	.	H	α-helix	trans	-56.5	-35	-173	-28.2	35.6	0	0	0	114.6	L1071 Q1072 E1073	P1069-L1071 VanDerWaalsContact C-N 3.27Å; P1069-L1071 PolarHBondContact O-N 2.91Å; P1069-Q1072 PolarHBondContact O-N 3.17Å; P1069-E1073 PolarHBondContact O-N 3.09Å
1070	H	83.3	Confident	85.3	Confident	64 Å²	64	73 Å²	73	30%	0.296	40%	0.401	S	S	.	.	H	α-helix	trans	-71.6	-18.6	179.1	79.3	-78.8	0	0	0	113.7	E1068 K1074	E1068-H1070 PolarHBondContact O-N 3.24Å; E1068-H1070 VanDerWaalsContact O-N 3.1Å; H1070-K1074 WeakPolarHBondContact O-CD 3.24Å; H1070-K1074 VanDerWaalsContact O-CG 3.3Å; H1070-K1074 WeakPolarHBondContact O-CG 3.47Å
1071	L	85.5	Confident	85	Confident	17 Å²	17	76.3 Å²	76.3	9%	0.089	41%	0.412	C	S	.	.	H	α-helix	trans	-83.8	-40.5	170.5	-55.8	179.2	0	0	0	110.2	F1013 V1021 M1067 E1068 P1069 E1073 K1074 L1075	F1013-L1071 HydrophobicContact CZ-CB 4.18Å; V1021-L1071 HydrophobicContact CB-CD2 4.3Å; V1021-L1071 HydrophobicContact CG1-CD2 3.83Å; V1021-L1071 HydrophobicContact CG2-CD2 3.6Å; M1067-L1071 HydrophobicContact SD-CB 4.26Å; E1068-L1071 HydrophobicContact CB-CD1 4.16Å; E1068-L1071 HydrophobicContact CB-CG 4.17Å; E1068-L1071 WeakPolarHBondContact O-CB 3.48Å; E1068-L1071 PolarHBondContact O-N 2.62Å; P1069-L1071 VanDerWaalsContact C-N 3.27Å; P1069-L1071 PolarHBondContact O-N 2.91Å; L1071-E1073 VanDerWaalsContact C-N 3.35Å; L1071-E1073 PolarHBondContact O-N 3.4Å; L1071-K1074 PolarHBondContact O-N 3.48Å; L1071-L1075 WeakPolarHBondContact O-CB 3.42Å; L1071-L1075 PolarHBondContact O-N 2.88Å
1072	Q	86.4	Confident	84.8	Confident	110 Å²	110	73.6 Å²	73.6	51%	0.514	39%	0.393	S	S	.	.	H	α-helix	trans	-62.5	-40.5	178	-165.5	176.7	10.4	0	0	112.2	M1067 E1068 P1069 T1076	M1067-Q1072 HydrophobicContact CG-CB 3.93Å; M1067-Q1072 HydrophobicContact SD-CB 3.84Å; M1067-Q1072 HydrophobicContact SD-CG 4.28Å; E1068-Q1072 PolarHBondContact O-N 2.9Å; P1069-Q1072 PolarHBondContact O-N 3.17Å; Q1072-T1076 WeakPolarHBondContact O-CB 3.42Å; Q1072-T1076 PolarHBondContact O-N 2.72Å; Q1072-T1076 PolarHBondContact O-OG1 2.69Å
1073	E	87.2	Confident	84.5	Confident	133 Å²	133	77.5 Å²	77.5	62%	0.621	41%	0.413	S	S	*	.	H	α-helix	trans	-58.5	-56.1	173	-173.2	173	-160.9	0	0	111.1	P1069 L1071 L1075 T1076 D1077	P1069-E1073 PolarHBondContact O-N 3.09Å; L1071-E1073 VanDerWaalsContact C-N 3.35Å; L1071-E1073 PolarHBondContact O-N 3.4Å; E1073-L1075 VanDerWaalsContact C-N 3.33Å; E1073-L1075 PolarHBondContact O-N 3.03Å; E1073-T1076 WeakPolarHBondContact O-CB 3.46Å; E1073-T1076 PolarHBondContact O-N 3.43Å; E1073-T1076 VanDerWaalsContact O-N 3.09Å; E1073-D1077 PolarHBondContact O-N 2.92Å
1074	K	88.1	Confident	84.1	Confident	40 Å²	40	77.3 Å²	77.3	17%	0.174	41%	0.413	C	S	.	.	H	α-helix	trans	-60.1	-37.5	178.9	-67.4	176.5	-168.9	-175.7	0	113.9	D1018 V1021 N1022 L1025 H1070 L1071 F1078	D1018-K1074 IonicContact OD1-NZ 3.91Å; D1018-K1074 PolarHBondContact OD1-NZ 2.9Å; V1021-K1074 HydrophobicContact CG1-CD 3.73Å; N1022-K1074 WeakPolarHBondContact OD1-CE 3.41Å; N1022-K1074 PolarHBondContact OD1-NZ 3.26Å; L1025-K1074 HydrophobicContact CD1-CB 3.86Å; L1025-K1074 HydrophobicContact CD1-CD 4.06Å; L1025-K1074 HydrophobicContact CD1-CG 4.4Å; H1070-K1074 WeakPolarHBondContact O-CD 3.24Å; H1070-K1074 VanDerWaalsContact O-CG 3.3Å; H1070-K1074 WeakPolarHBondContact O-CG 3.47Å; L1071-K1074 PolarHBondContact O-N 3.48Å; K1074-F1078 VanDerWaalsContact O-CB 3.31Å; K1074-F1078 WeakPolarHBondContact O-CB 3.08Å; K1074-F1078 PolarHBondContact O-N 3.47Å; K1074-F1078 VanDerWaalsContact O-N 3.08Å
1075	L	88.9	Confident	83.6	Confident	4 Å²	4	74.1 Å²	74.1	2%	0.021	38%	0.377	C	S	.	.	H	α-helix	trans	-65.7	-41.3	175.9	-179.3	67.1	0	0	0	111	F1013 W1059 Y1062 M1067 L1071 E1073 F1078 L1079	F1013-L1075 HydrophobicContact CZ-CB 4.02Å; F1013-L1075 HydrophobicContact CZ-CD1 4.4Å; W1059-L1075 HydrophobicContact CE3-CD1 4.05Å; Y1062-L1075 HydrophobicContact CD2-CD1 4.18Å; M1067-L1075 HydrophobicContact CE-CD2 3.95Å; M1067-L1075 HydrophobicContact SD-CD2 4.19Å; L1071-L1075 WeakPolarHBondContact O-CB 3.42Å; L1071-L1075 PolarHBondContact O-N 2.88Å; E1073-L1075 VanDerWaalsContact C-N 3.33Å; E1073-L1075 PolarHBondContact O-N 3.03Å; L1075-F1078 PolarHBondContact O-N 2.91Å; L1075-L1079 HydrophobicContact CD1-CD1 3.89Å; L1075-L1079 HydrophobicContact CD1-CD2 4.31Å; L1075-L1079 HydrophobicContact CD1-CG 3.87Å; L1075-L1079 HydrophobicContact CD2-CD1 4.35Å; L1075-L1079 HydrophobicContact CG-CD1 3.75Å; L1075-L1079 HydrophobicContact CG-CG 4.16Å; L1075-L1079 WeakPolarHBondContact O-CG 3.07Å; L1075-L1079 PolarHBondContact O-N 3.44Å
1076	T	85.8	Confident	82.1	Confident	85 Å²	85	73.2 Å²	73.2	52%	0.521	38%	0.383	S	S	.	.	H	α-helix	trans	-65.6	-39	178.2	-54.9	0	0	0	0	111.5	Q1072 E1073 F1078 P1080	Q1072-T1076 WeakPolarHBondContact O-CB 3.42Å; Q1072-T1076 PolarHBondContact O-N 2.72Å; Q1072-T1076 PolarHBondContact O-OG1 2.69Å; E1073-T1076 WeakPolarHBondContact O-CB 3.46Å; E1073-T1076 PolarHBondContact O-N 3.43Å; E1073-T1076 VanDerWaalsContact O-N 3.09Å; T1076-F1078 VanDerWaalsContact C-N 3.33Å; T1076-P1080 WeakPolarHBondContact O-CD 3.49Å
1077	D	86.3	Confident	80.8	Confident	118 Å²	118	71.5 Å²	71.5	63%	0.631	38%	0.376	S	S	*	.	H	α-helix	trans	-69.5	-26.5	173.9	-80.6	-1.4	0	0	0	113.7	E1073	E1073-D1077 PolarHBondContact O-N 2.92Å
1078	F	88.6	Confident	79.1	Confident	4 Å²	4	74.9 Å²	74.9	2%	0.018	39%	0.392	C	S	.	.	H	α-helix	trans	-88.2	-47.8	-176.4	171.5	-118.9	0	0	0	113.5	L1025 M1028 N1029 V1033 W1059 K1074 L1075 T1076 P1080 K1081 L1082	L1025-F1078 HydrophobicContact CD2-CB 3.94Å; L1025-F1078 HydrophobicContact CD2-CD1 3.87Å; L1025-F1078 HydrophobicContact CD2-CD2 4.33Å; L1025-F1078 HydrophobicContact CD2-CG 3.75Å; M1028-F1078 HydrophobicContact CB-CE1 4.25Å; M1028-F1078 HydrophobicContact CB-CE2 3.62Å; M1028-F1078 HydrophobicContact CB-CZ 3.45Å; M1028-F1078 VanDerWaalsContact CB-CZ 3.45Å; M1028-F1078 HydrophobicContact CE-CE1 4.25Å; M1028-F1078 HydrophobicContact CE-CZ 3.71Å; M1028-F1078 HydrophobicContact CG-CE1 4.11Å; M1028-F1078 HydrophobicContact CG-CE2 4.37Å; M1028-F1078 HydrophobicContact CG-CZ 3.73Å; N1029-F1078 WeakPolarHBondContact ND2-CD2 3.39Å; V1033-F1078 HydrophobicContact CG2-CE2 3.97Å; V1033-F1078 HydrophobicContact CG2-CZ 4.25Å; W1059-F1078 HydrophobicContact CD2-CD1 4.36Å; W1059-F1078 AromaticContact CD2-CE1 3.74Å; W1059-F1078 HydrophobicContact CD2-CE1 3.74Å; W1059-F1078 AromaticContact CE3-CD1 3.97Å; W1059-F1078 HydrophobicContact CE3-CD1 3.97Å; W1059-F1078 AromaticContact CE3-CE1 3.81Å; W1059-F1078 HydrophobicContact CE3-CE1 3.81Å; W1059-F1078 HydrophobicContact CG-CE1 4.08Å; W1059-F1078 HydrophobicContact CZ3-CD1 4.29Å; W1059-F1078 HydrophobicContact CZ3-CE1 4.29Å; K1074-F1078 VanDerWaalsContact O-CB 3.31Å; K1074-F1078 WeakPolarHBondContact O-CB 3.08Å; K1074-F1078 PolarHBondContact O-N 3.47Å; K1074-F1078 VanDerWaalsContact O-N 3.08Å; L1075-F1078 PolarHBondContact O-N 2.91Å; T1076-F1078 VanDerWaalsContact C-N 3.33Å; F1078-P1080 VanDerWaalsContact C-CD 3.41Å; F1078-K1081 WeakPolarHBondContact O-CB 3.45Å; F1078-K1081 PolarHBondContact O-N 3.41Å; F1078-L1082 HydrophobicContact CE1-CB 4.32Å; F1078-L1082 HydrophobicContact CE1-CD2 3.97Å; F1078-L1082 HydrophobicContact CE2-CB 4.48Å; F1078-L1082 HydrophobicContact CZ-CB 3.96Å; F1078-L1082 HydrophobicContact CZ-CD1 4.34Å; F1078-L1082 HydrophobicContact CZ-CD2 4.11Å; F1078-L1082 HydrophobicContact CZ-CG 4.36Å
1079	L	87.4	Confident	77.6	Confident	11 Å²	11	74 Å²	74	6%	0.058	39%	0.39	C	S	.	.	H	α-helix	trans	-52.4	-39.4	-171.6	-78.9	170.8	0	0	0	115.2	W1059 L1063 L1075 K1081 L1082 L1083	W1059-L1079 HydrophobicContact CB-CD2 3.91Å; L1063-L1079 HydrophobicContact CD1-CD1 4.06Å; L1063-L1079 HydrophobicContact CD2-CD1 3.56Å; L1063-L1079 HydrophobicContact CG-CD1 3.83Å; L1075-L1079 HydrophobicContact CD1-CD1 3.89Å; L1075-L1079 HydrophobicContact CD1-CD2 4.31Å; L1075-L1079 HydrophobicContact CD1-CG 3.87Å; L1075-L1079 HydrophobicContact CD2-CD1 4.35Å; L1075-L1079 HydrophobicContact CG-CD1 3.75Å; L1075-L1079 HydrophobicContact CG-CG 4.16Å; L1075-L1079 WeakPolarHBondContact O-CG 3.07Å; L1075-L1079 PolarHBondContact O-N 3.44Å; L1079-K1081 PolarHBondContact O-N 3.31Å; L1079-L1082 PolarHBondContact O-N 2.96Å; L1079-L1082 VanDerWaalsContact O-N 3.1Å; L1079-L1083 WeakPolarHBondContact O-CG 3.23Å; L1079-L1083 PolarHBondContact O-N 2.88Å; L1079-L1083 VanDerWaalsContact O-N 3.13Å
1080	P	86.1	Confident	76.1	Confident	76 Å²	76	73.8 Å²	73.8	49%	0.494	38%	0.38	S	S	.	.	H	α-helix	trans	-54.4	-36	176.1	-28.7	36.6	0	0	0	113.7	T1076 F1078 L1083 D1084	T1076-P1080 WeakPolarHBondContact O-CD 3.49Å; F1078-P1080 VanDerWaalsContact C-CD 3.41Å; P1080-L1083 PolarHBondContact O-N 3.18Å; P1080-D1084 WeakPolarHBondContact O-CB 3.46Å; P1080-D1084 PolarHBondContact O-N 3.33Å
1081	K	84.8	Confident	74.4	Confident	107 Å²	107	74.2 Å²	74.2	47%	0.465	39%	0.39	S	S	.	.	H	α-helix	trans	-74.3	-28.7	-179.3	-49.8	-179.3	-168.5	-179.6	0	113.2	N1029 V1033 F1078 L1079	N1029-K1081 VanDerWaalsContact OD1-CD 3.3Å; N1029-K1081 WeakPolarHBondContact OD1-CD 3.42Å; N1029-K1081 PolarHBondContact OD1-NZ 3.32Å; V1033-K1081 HydrophobicContact CG1-CB 4.49Å; V1033-K1081 WeakPolarHBondContact CG1-O 3.49Å; F1078-K1081 WeakPolarHBondContact O-CB 3.45Å; F1078-K1081 PolarHBondContact O-N 3.41Å; L1079-K1081 PolarHBondContact O-N 3.31Å
1082	L	84.9	Confident	72.9	Confident	0 Å²	0	76 Å²	76	0%	0	40%	0.397	C	S	.	.	H	α-helix	trans	-78.9	-26.6	177.4	-174.2	63.1	0	0	0	111.8	M1028 V1033 L1036 R1056 W1059 F1078 L1079 C1085	M1028-L1082 HydrophobicContact CE-CD1 3.9Å; M1028-L1082 HydrophobicContact CE-CD2 4.42Å; V1033-L1082 HydrophobicContact CG2-CD1 4.03Å; L1036-L1082 HydrophobicContact CD1-CD1 3.66Å; R1056-L1082 HydrophobicContact CG-CG 4.08Å; R1056-L1082 PolarHBondContact NE-O 3.18Å; R1056-L1082 PolarHBondContact NH2-O 3.25Å; W1059-L1082 HydrophobicContact CB-CD2 3.56Å; W1059-L1082 HydrophobicContact CG-CD2 3.74Å; F1078-L1082 HydrophobicContact CE1-CB 4.32Å; F1078-L1082 HydrophobicContact CE1-CD2 3.97Å; F1078-L1082 HydrophobicContact CE2-CB 4.48Å; F1078-L1082 HydrophobicContact CZ-CB 3.96Å; F1078-L1082 HydrophobicContact CZ-CD1 4.34Å; F1078-L1082 HydrophobicContact CZ-CD2 4.11Å; F1078-L1082 HydrophobicContact CZ-CG 4.36Å; L1079-L1082 PolarHBondContact O-N 2.96Å; L1079-L1082 VanDerWaalsContact O-N 3.1Å; L1082-C1085 PolarHBondContact O-SG 2.91Å; L1082-C1085 VanDerWaalsContact O-SG 3.34Å
1083	L	81.9	Confident	71	Confident	91 Å²	91	78.7 Å²	78.7	48%	0.476	41%	0.409	S	S	.	.	H	α-helix	trans	-90.7	-46.5	179.3	-63.1	174.7	0	0	0	111.9	R1056 L1079 P1080 C1085	R1056-L1083 HydrophobicContact CG-CD2 4.26Å; R1056-L1083 PolarHBondContact NH2-O 3.39Å; L1079-L1083 WeakPolarHBondContact O-CG 3.23Å; L1079-L1083 PolarHBondContact O-N 2.88Å; L1079-L1083 VanDerWaalsContact O-N 3.13Å; P1080-L1083 PolarHBondContact O-N 3.18Å; L1083-C1085 PolarHBondContact O-N 3.12Å
1084	D	74.6	Confident	69.3	Low	103 Å²	103	76.6 Å²	76.6	55%	0.551	40%	0.399	S	S	*	.			trans	-97.2	81.7	176.3	-168.6	-4.2	0	0	0	111.7	P1080 S1086	P1080-D1084 WeakPolarHBondContact O-CB 3.46Å; P1080-D1084 PolarHBondContact O-N 3.33Å; D1084-S1086 PolarHBondContact O-N 2.88Å; D1084-S1086 WeakPolarHBondContact OD1-CB 3.41Å; D1084-S1086 PolarHBondContact OD1-N 3.17Å; D1084-S1086 PolarHBondContact OD1-OG 3.46Å
1085	C	62.5	Low	68.5	Low	18 Å²	18	78 Å²	78	12%	0.122	41%	0.413	C	S	.	.			trans	-82.7	14.3	178	-52.2	0	0	0	0	113.4	P1037 R1056 L1082 L1083 M1087	P1037-C1085 HydrophobicContact CG-CB 4.27Å; R1056-C1085 PolarHBondContact NH2-SG 3.03Å; L1082-C1085 PolarHBondContact O-SG 2.91Å; L1082-C1085 VanDerWaalsContact O-SG 3.34Å; L1083-C1085 PolarHBondContact O-N 3.12Å; C1085-M1087 VanDerWaalsContact C-N 3.34Å; C1085-M1087 PolarHBondContact O-N 2.95Å
1086	S	54	Low	68.1	Low	88 Å²	88	78.6 Å²	78.6	62%	0.615	42%	0.417	S	S	*	.	S	Bend	trans	-75.9	-13.1	-166.9	67.1	0	0	0	0	115.7	D1084	D1084-S1086 PolarHBondContact O-N 2.88Å; D1084-S1086 WeakPolarHBondContact OD1-CB 3.41Å; D1084-S1086 PolarHBondContact OD1-N 3.17Å; D1084-S1086 PolarHBondContact OD1-OG 3.46Å
1087	M	48.1	Very low	67.8	Low	168 Å²	168	83.3 Å²	83.3	83%	0.828	43%	0.43	S	S	*	.	S	Bend	trans	-115.8	-15	-166.5	-62.7	-166.8	69	0	0	116.8	C1085	C1085-M1087 VanDerWaalsContact C-N 3.34Å; C1085-M1087 PolarHBondContact O-N 2.95Å
1088	E	49	Very low	67.8	Low	123 Å²	123	79.9 Å²	79.9	58%	0.575	41%	0.412	S	S	*	.			trans	-125.9	68.2	-172.1	-71	-165.3	-163.6	0	0	114.6	K1090	E1088-K1090 PolarHBondContact O-N 3.38Å
1089	I	53.9	Low	67.4	Low	102 Å²	102	82.4 Å²	82.4	52%	0.523	43%	0.428	S	S	.	.			trans	-76.3	98.7	163	-50.4	-174.4	0	0	0	108.9	P1037 L1038 S1091	P1037-I1089 HydrophobicContact CB-CD1 4.24Å; P1037-I1089 HydrophobicContact CB-CG1 3.79Å; P1037-I1089 HydrophobicContact CG-CG1 4.23Å; L1038-I1089 HydrophobicContact CD2-CG2 4.12Å; I1089-S1091 PolarHBondContact O-N 2.88Å
1090	K	50.9	Low	67	Low	87 Å²	87	87.7 Å²	87.7	38%	0.378	47%	0.466	S	S	.	.			trans	-68	99.3	170.6	-82.1	-176.5	-164.1	170.4	0	110.1	E1030 P1034 E1088	E1030-K1090 PolarHBondContact O-NZ 3.39Å; P1034-K1090 HydrophobicContact CB-CB 3.9Å; P1034-K1090 HydrophobicContact CB-CD 3.53Å; P1034-K1090 HydrophobicContact CB-CG 3.69Å; P1034-K1090 HydrophobicContact CG-CD 3.81Å; P1034-K1090 HydrophobicContact CG-CG 4.38Å; E1088-K1090 PolarHBondContact O-N 3.38Å
1091	S	47.7	Very low	66.8	Low	73 Å²	73	85.7 Å²	85.7	51%	0.51	45%	0.449	S	S	.	.			trans	-65.8	137.9	167.5	91.8	0	0	0	0	110.3	I1089 H1093	I1089-S1091 PolarHBondContact O-N 2.88Å; S1091-H1093 PolarHBondContact O-CD2 2.93Å; S1091-H1093 VanDerWaalsContact O-CD2 3.3Å; S1091-H1093 PolarHBondContact O-N 3.23Å; S1091-H1093 PolarHBondContact OG-NE2 3.33Å
1092	F	53.3	Low	66.6	Low	56 Å²	56	82.8 Å²	82.8	25%	0.246	44%	0.442	C	S	.	.			trans	-73.1	95	179.4	-82.5	-90.8	0	0	0	111	L968 I971 F1035 E1094	L968-F1092 HydrophobicContact CD1-CE1 3.65Å; L968-F1092 HydrophobicContact CD1-CZ 4.1Å; L968-F1092 HydrophobicContact CG-CE1 3.92Å; I971-F1092 HydrophobicContact CB-CE2 4.26Å; I971-F1092 HydrophobicContact CB-CZ 4.35Å; I971-F1092 HydrophobicContact CD1-CE2 4.42Å; I971-F1092 HydrophobicContact CD1-CZ 4.25Å; I971-F1092 HydrophobicContact CG2-CD2 4.44Å; I971-F1092 HydrophobicContact CG2-CE2 3.65Å; I971-F1092 HydrophobicContact CG2-CZ 4.24Å; F1035-F1092 HydrophobicContact CD1-CE2 4.27Å; F1035-F1092 HydrophobicContact CD1-CZ 4.44Å; F1035-F1092 HydrophobicContact CE1-CE1 4.47Å; F1035-F1092 AromaticContact CE1-CE2 3.56Å; F1035-F1092 HydrophobicContact CE1-CE2 3.56Å; F1035-F1092 AromaticContact CE1-CZ 3.47Å; F1035-F1092 HydrophobicContact CE1-CZ 3.47Å; F1035-F1092 VanDerWaalsContact CE1-CZ 3.47Å; F1035-F1092 HydrophobicContact CZ-CE1 4.37Å; F1035-F1092 HydrophobicContact CZ-CE2 4.19Å; F1035-F1092 AromaticContact CZ-CZ 3.6Å; F1035-F1092 HydrophobicContact CZ-CZ 3.6Å; F1092-E1094 VanDerWaalsContact C-N 3.28Å; F1092-E1094 PolarHBondContact O-N 3.01Å
1093	H	46.8	Very low	66.5	Low	166 Å²	166	83.8 Å²	83.8	77%	0.769	45%	0.448	S	S	*	.	S	Bend	trans	-69.9	-17.4	-179.8	-77.9	-79.8	0	0	0	114.9	S1091	S1091-H1093 PolarHBondContact O-CD2 2.93Å; S1091-H1093 VanDerWaalsContact O-CD2 3.3Å; S1091-H1093 PolarHBondContact O-N 3.23Å; S1091-H1093 PolarHBondContact OG-NE2 3.33Å
1094	E	52.2	Low	66.4	Low	88 Å²	88	85.1 Å²	85.1	41%	0.411	45%	0.452	S	S	.	.	S	Bend	trans	-153.4	118.6	169.9	-164.5	152.6	-160.4	0	0	108.7	R638 R645 F1092	R638-E1094 IonicContact CZ-OE1 3.62Å; R638-E1094 VanDerWaalsContact CZ-OE1 3.29Å; R638-E1094 IonicContact CZ-OE2 3.76Å; R638-E1094 IonicContact NH1-OE1 3.83Å; R638-E1094 PolarHBondContact NH1-OE1 3.36Å; R638-E1094 IonicContact NH1-OE2 2.61Å; R638-E1094 PolarHBondContact NH1-OE2 3.34Å; R638-E1094 IonicContact NH2-OE1 2.72Å; R638-E1094 PolarHBondContact NH2-OE1 3.11Å; R638-E1094 IonicContact NH2-OE2 2.74Å; R645-E1094 IonicContact CZ-OE2 2.76Å; R645-E1094 IonicContact NH2-OE2 3.18Å; R645-E1094 PolarHBondContact NH2-OE2 3.32Å; F1092-E1094 VanDerWaalsContact C-N 3.28Å; F1092-E1094 PolarHBondContact O-N 3.01Å
1095	P	70.9	Confident	66.9	Low	70 Å²	70	83.2 Å²	83.2	46%	0.455	44%	0.439	S	S	.	.			trans	-72.3	155.5	-179.2	29.8	-35.2	0	0	0	111.7	K1097	P1095-K1097 PolarHBondContact O-N 3.46Å
1096	P	80.4	Confident	68.1	Low	17 Å²	17	82.3 Å²	82.3	11%	0.11	43%	0.434	C	S	.	.			trans	-64.4	136.2	-177.9	23	-28.1	0	0	0	111.5	Y950 L968 F969 C972 L1098	Y950-P1096 HydrophobicContact CD1-CG 4.3Å; Y950-P1096 HydrophobicContact CE1-CG 3.95Å; L968-P1096 HydrophobicContact CD2-CB 4.29Å; L968-P1096 HydrophobicContact CD2-CG 4.43Å; F969-P1096 HydrophobicContact CD1-CB 4.4Å; F969-P1096 HydrophobicContact CD1-CG 4.09Å; F969-P1096 HydrophobicContact CD2-CB 4.37Å; F969-P1096 HydrophobicContact CD2-CG 4.33Å; F969-P1096 HydrophobicContact CE1-CB 3.94Å; F969-P1096 HydrophobicContact CE1-CG 4.11Å; F969-P1096 HydrophobicContact CE2-CB 3.93Å; F969-P1096 HydrophobicContact CE2-CG 4.37Å; F969-P1096 HydrophobicContact CG-CG 4.19Å; F969-P1096 HydrophobicContact CZ-CB 3.69Å; F969-P1096 HydrophobicContact CZ-CG 4.27Å; C972-P1096 VanDerWaalsContact SG-CD 3.53Å; P1096-L1098 PolarHBondContact O-N 2.78Å; P1096-L1098 VanDerWaalsContact O-N 3.15Å
1097	K	80.5	Confident	69.7	Low	183 Å²	183	78.7 Å²	78.7	80%	0.796	41%	0.408	S	S	*	.			trans	-66.5	113.8	-171	-69.6	-179.4	179.2	175.7	0	111.6	P1095	P1095-K1097 PolarHBondContact O-N 3.46Å
1098	L	85.2	Confident	71.6	Confident	47 Å²	47	75.1 Å²	75.1	25%	0.246	39%	0.39	C	S	.	.			trans	-70.8	130.2	172.3	-69.6	-177	0	0	0	111.5	E946 M949 Y950 I953 F969 P1096	E946-L1098 HydrophobicContact CB-CD1 3.89Å; E946-L1098 HydrophobicContact CG-CD1 3.96Å; M949-L1098 HydrophobicContact CB-CD1 4.08Å; M949-L1098 HydrophobicContact CB-CD2 3.85Å; M949-L1098 HydrophobicContact CE-CB 4.09Å; M949-L1098 HydrophobicContact CE-CD1 4.28Å; M949-L1098 HydrophobicContact SD-CD1 4.49Å; Y950-L1098 HydrophobicContact CD1-CD2 3.72Å; Y950-L1098 HydrophobicContact CD1-CG 4.33Å; Y950-L1098 HydrophobicContact CD2-CD1 4.2Å; Y950-L1098 HydrophobicContact CD2-CD2 4.45Å; Y950-L1098 HydrophobicContact CE1-CD1 4.26Å; Y950-L1098 HydrophobicContact CE1-CD2 3.66Å; Y950-L1098 HydrophobicContact CE1-CG 3.8Å; Y950-L1098 HydrophobicContact CE2-CD1 3.72Å; Y950-L1098 HydrophobicContact CE2-CD2 4.43Å; Y950-L1098 HydrophobicContact CE2-CG 4.19Å; Y950-L1098 HydrophobicContact CG-CD2 4.09Å; I953-L1098 HydrophobicContact CD1-CD2 3.95Å; F969-L1098 HydrophobicContact CE1-CD2 4.36Å; P1096-L1098 PolarHBondContact O-N 2.78Å; P1096-L1098 VanDerWaalsContact O-N 3.15Å
1099	P	81.5	Confident	73.6	Confident	56 Å²	56	70.9 Å²	70.9	36%	0.364	37%	0.368	S	S	.	.			trans	-74.9	153.9	168.2	32.1	-36.3	0	0	0	111.6	M949 I953 Y1101	M949-P1099 WeakPolarHBondContact CE-O 3.29Å; I953-P1099 HydrophobicContact CD1-CG 4.06Å; P1099-Y1101 HydrophobicContact CB-CE1 3.94Å; P1099-Y1101 HydrophobicContact CG-CD1 4.31Å; P1099-Y1101 HydrophobicContact CG-CE1 3.43Å; P1099-Y1101 VanDerWaalsContact CG-CE1 3.43Å; P1099-Y1101 HydrophobicContact CG-CE2 4.21Å; P1099-Y1101 WeakPolarHBondContact CG-OH 3.43Å; P1099-Y1101 PolarHBondContact O-N 3.26Å
1100	S	77.2	Confident	75.4	Confident	122 Å²	122	66.6 Å²	66.6	85%	0.853	35%	0.346	S	S	*	.			trans	-79.9	104.7	180	55.4	0	0	0	0	112.2
1101	Y	81.7	Confident	77.2	Confident	34 Å²	34	63.6 Å²	63.6	13%	0.133	34%	0.338	C	S	.	.			trans	-96.5	139.4	173.8	-58.4	-30	0	0	0	112.2	M949 I953 P1099 E1105 L1106 R1109	M949-Y1101 HydrophobicContact CE-CD2 3.93Å; M949-Y1101 HydrophobicContact CE-CE2 4.43Å; M949-Y1101 HydrophobicContact CE-CG 4.34Å; M949-Y1101 HydrophobicContact CG-CD2 4.1Å; I953-Y1101 HydrophobicContact CD1-CE2 4.26Å; I953-Y1101 HydrophobicContact CG1-CE2 4.43Å; P1099-Y1101 HydrophobicContact CB-CE1 3.94Å; P1099-Y1101 HydrophobicContact CG-CD1 4.31Å; P1099-Y1101 HydrophobicContact CG-CE1 3.43Å; P1099-Y1101 VanDerWaalsContact CG-CE1 3.43Å; P1099-Y1101 HydrophobicContact CG-CE2 4.21Å; P1099-Y1101 WeakPolarHBondContact CG-OH 3.43Å; P1099-Y1101 PolarHBondContact O-N 3.26Å; Y1101-E1105 VanDerWaalsContact CD1-CD 3.46Å; Y1101-E1105 VanDerWaalsContact CD1-OE1 3.26Å; Y1101-E1105 WeakPolarHBondContact CD1-OE1 3.32Å; Y1101-E1105 VanDerWaalsContact CD1-OE2 3.27Å; Y1101-E1105 WeakPolarHBondContact CD1-OE2 3.49Å; Y1101-E1105 WeakPolarHBondContact CE1-OE1 3.47Å; Y1101-L1106 HydrophobicContact CD2-CD1 4.33Å; Y1101-R1109 PolarHBondContact OH-NH1 3.05Å; Y1101-R1109 VanDerWaalsContact OH-NH1 3.12Å; Y1101-R1109 PolarHBondContact OH-NH2 3.09Å
1102	S	81.5	Confident	79.2	Confident	46 Å²	46	66.2 Å²	66.2	32%	0.322	34%	0.336	S	S	.	.			trans	-65.5	156.4	167.1	79.1	0	0	0	0	110.1	H1104 E1105 L1106	S1102-H1104 PolarHBondContact O-N 2.9Å; S1102-E1105 PolarHBondContact O-N 3.43Å; S1102-E1105 WeakPolarHBondContact OG-CB 3.45Å; S1102-E1105 PolarHBondContact OG-N 3.15Å; S1102-E1105 VanDerWaalsContact OG-N 3.1Å; S1102-L1106 WeakPolarHBondContact O-CB 3.35Å; S1102-L1106 PolarHBondContact O-N 3.5Å
1103	T	82.1	Confident	80.9	Confident	21 Å²	21	64 Å²	64	13%	0.129	33%	0.326	C	S	.	.	H	α-helix	trans	-60.2	-29.7	177.3	-53.9	0	0	0	0	111.8	L874 R945 C1107	L874-T1103 WeakPolarHBondContact O-CG2 3.39Å; R945-T1103 PolarHBondContact NH1-OG1 3.47Å; R945-T1103 PolarHBondContact NH2-OG1 3.23Å; T1103-C1107 PolarHBondContact O-N 3.29Å; T1103-C1107 PolarHBondContact O-SG 3.38Å
1104	H	81.3	Confident	82.8	Confident	120 Å²	120	57.2 Å²	57.2	56%	0.556	30%	0.295	S	S	*	.	H	α-helix	trans	-72.1	-48.6	175.5	-175.4	54.7	0	0	0	111.9	S1102 L1106 C1107 E1108	S1102-H1104 PolarHBondContact O-N 2.9Å; H1104-L1106 VanDerWaalsContact C-N 3.33Å; H1104-L1106 PolarHBondContact O-N 3.23Å; H1104-C1107 PolarHBondContact O-N 2.89Å; H1104-E1108 PolarHBondContact O-N 2.96Å
1105	E	84.6	Confident	84.4	Confident	62 Å²	62	55.9 Å²	55.9	29%	0.29	29%	0.291	S	S	.	.	H	α-helix	trans	-59.5	-44.1	177.7	-169.6	-159.3	162.1	0	0	111.5	Y1101 S1102 C1107 E1108 R1109	Y1101-E1105 VanDerWaalsContact CD1-CD 3.46Å; Y1101-E1105 VanDerWaalsContact CD1-OE1 3.26Å; Y1101-E1105 WeakPolarHBondContact CD1-OE1 3.32Å; Y1101-E1105 VanDerWaalsContact CD1-OE2 3.27Å; Y1101-E1105 WeakPolarHBondContact CD1-OE2 3.49Å; Y1101-E1105 WeakPolarHBondContact CE1-OE1 3.47Å; S1102-E1105 PolarHBondContact O-N 3.43Å; S1102-E1105 WeakPolarHBondContact OG-CB 3.45Å; S1102-E1105 PolarHBondContact OG-N 3.15Å; S1102-E1105 VanDerWaalsContact OG-N 3.1Å; E1105-C1107 VanDerWaalsContact C-N 3.34Å; E1105-C1107 PolarHBondContact O-N 3.49Å; E1105-E1108 PolarHBondContact O-N 3.37Å; E1105-R1109 HydrophobicContact CG-CG 4.35Å; E1105-R1109 WeakPolarHBondContact O-CB 3.34Å; E1105-R1109 WeakPolarHBondContact O-CG 3.35Å; E1105-R1109 PolarHBondContact O-N 3.43Å; E1105-R1109 WeakPolarHBondContact OE1-CD 3.44Å; E1105-R1109 IonicContact OE1-CZ 3.58Å; E1105-R1109 IonicContact OE1-NH1 2.81Å; E1105-R1109 PolarHBondContact OE1-NH1 2.93Å
1106	L	88.3	Confident	85	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-57.9	-45.3	177.7	179.5	59.9	0	0	0	111.8	T948 M949 I952 Y1101 S1102 H1104 F1110	T948-L1106 HydrophobicContact CG2-CD1 4.3Å; M949-L1106 HydrophobicContact CG-CD1 3.58Å; M949-L1106 HydrophobicContact CG-CD2 4.47Å; I952-L1106 HydrophobicContact CD1-CD1 3.62Å; Y1101-L1106 HydrophobicContact CD2-CD1 4.33Å; S1102-L1106 WeakPolarHBondContact O-CB 3.35Å; S1102-L1106 PolarHBondContact O-N 3.5Å; H1104-L1106 VanDerWaalsContact C-N 3.33Å; H1104-L1106 PolarHBondContact O-N 3.23Å; L1106-F1110 WeakPolarHBondContact O-CB 3.45Å; L1106-F1110 PolarHBondContact O-N 2.96Å
1107	C	87.3	Confident	85	Confident	12 Å²	12	55 Å²	55	8%	0.081	29%	0.285	C	S	.	.	H	α-helix	trans	-69.4	-40.3	178.3	-64.4	0	0	0	0	112	T1103 H1104 E1105 F1110 A1111	T1103-C1107 PolarHBondContact O-N 3.29Å; T1103-C1107 PolarHBondContact O-SG 3.38Å; H1104-C1107 PolarHBondContact O-N 2.89Å; E1105-C1107 VanDerWaalsContact C-N 3.34Å; E1105-C1107 PolarHBondContact O-N 3.49Å; C1107-F1110 PolarHBondContact O-N 2.95Å; C1107-A1111 WeakPolarHBondContact O-CB 3.45Å; C1107-A1111 PolarHBondContact O-N 3.37Å
1108	E	88.2	Confident	84.3	Confident	93 Å²	93	49 Å²	49	44%	0.435	27%	0.266	S	S	.	.	H	α-helix	trans	-65.3	-40.5	179.1	-157.2	-132	147.3	0	0	111.6	H1104 E1105 A1111 R1112	H1104-E1108 PolarHBondContact O-N 2.96Å; E1105-E1108 PolarHBondContact O-N 3.37Å; E1108-A1111 PolarHBondContact O-N 3.45Å; E1108-R1112 VanDerWaalsContact O-CB 3.29Å; E1108-R1112 WeakPolarHBondContact O-CB 3.5Å; E1108-R1112 PolarHBondContact O-N 3.04Å; E1108-R1112 IonicContact OE1-CZ 2.73Å; E1108-R1112 IonicContact OE1-NE 3.01Å; E1108-R1112 IonicContact OE1-NH2 3.41Å; E1108-R1112 PolarHBondContact OE1-NH2 3.49Å; E1108-R1112 IonicContact OE2-NH2 2.98Å; E1108-R1112 PolarHBondContact OE2-NH2 2.92Å
1109	R	91.1	Very high	83.1	Confident	33 Å²	33	56.2 Å²	56.2	13%	0.125	29%	0.29	C	S	.	.	H	α-helix	trans	-73.3	-37.6	178.3	-67.9	176.9	70.3	173.2	-6.8	112.5	I952 E956 Y1101 E1105 R1112 I1113	I952-R1109 HydrophobicContact CG2-CB 4.13Å; E956-R1109 IonicContact OE1-CZ 3.94Å; E956-R1109 VanDerWaalsContact OE1-CZ 3.27Å; E956-R1109 IonicContact OE1-NE 3.26Å; E956-R1109 PolarHBondContact OE1-NE 2.98Å; E956-R1109 IonicContact OE1-NH2 3.75Å; E956-R1109 PolarHBondContact OE1-NH2 3.44Å; E956-R1109 IonicContact OE2-CZ 2.84Å; E956-R1109 IonicContact OE2-NH2 3.61Å; E956-R1109 PolarHBondContact OE2-NH2 3.32Å; Y1101-R1109 PolarHBondContact OH-NH1 3.05Å; Y1101-R1109 VanDerWaalsContact OH-NH1 3.12Å; Y1101-R1109 PolarHBondContact OH-NH2 3.09Å; E1105-R1109 HydrophobicContact CG-CG 4.35Å; E1105-R1109 WeakPolarHBondContact O-CB 3.34Å; E1105-R1109 WeakPolarHBondContact O-CG 3.35Å; E1105-R1109 PolarHBondContact O-N 3.43Å; E1105-R1109 WeakPolarHBondContact OE1-CD 3.44Å; E1105-R1109 IonicContact OE1-CZ 3.58Å; E1105-R1109 IonicContact OE1-NH1 2.81Å; E1105-R1109 PolarHBondContact OE1-NH1 2.93Å; R1109-R1112 PolarHBondContact O-N 3.46Å; R1109-I1113 WeakPolarHBondContact O-CG2 3.35Å; R1109-I1113 PolarHBondContact O-N 3.39Å
1110	F	91.1	Very high	81.7	Confident	12 Å²	12	57.4 Å²	57.4	5%	0.053	30%	0.296	C	S	.	.	H	α-helix	trans	-57.3	-51	169.4	-172.5	-95.9	0	0	0	111.1	D871 L874 T948 I952 H989 L1106 C1107 R1112 I1113 M1114	D871-F1110 HydrophobicContact CB-CE1 3.94Å; D871-F1110 HydrophobicContact CB-CZ 4.37Å; L874-F1110 HydrophobicContact CD1-CB 3.93Å; L874-F1110 HydrophobicContact CD1-CD1 3.91Å; L874-F1110 HydrophobicContact CD1-CD2 3.89Å; L874-F1110 HydrophobicContact CD1-CE1 4.4Å; L874-F1110 HydrophobicContact CD1-CE2 4.38Å; L874-F1110 HydrophobicContact CD1-CG 3.61Å; T948-F1110 HydrophobicContact CG2-CD2 3.66Å; T948-F1110 HydrophobicContact CG2-CE2 4.09Å; I952-F1110 HydrophobicContact CD1-CB 3.91Å; I952-F1110 HydrophobicContact CD1-CD2 4.2Å; I952-F1110 HydrophobicContact CG1-CD2 4.26Å; H989-F1110 AromaticContact CE1-CE2 3.93Å; L1106-F1110 WeakPolarHBondContact O-CB 3.45Å; L1106-F1110 PolarHBondContact O-N 2.96Å; C1107-F1110 PolarHBondContact O-N 2.95Å; F1110-R1112 VanDerWaalsContact C-N 3.34Å; F1110-R1112 PolarHBondContact O-N 2.79Å; F1110-I1113 WeakPolarHBondContact O-CG2 3.49Å; F1110-I1113 PolarHBondContact O-N 2.92Å; F1110-M1114 HydrophobicContact CD1-CG 4.18Å; F1110-M1114 HydrophobicContact CD2-CG 4.48Å; F1110-M1114 HydrophobicContact CE1-CG 3.87Å; F1110-M1114 HydrophobicContact CE2-CG 4.2Å; F1110-M1114 HydrophobicContact CG-CG 4.48Å; F1110-M1114 HydrophobicContact CZ-CG 3.89Å; F1110-M1114 HydrophobicContact CZ-SD 4.4Å; F1110-M1114 WeakPolarHBondContact O-CB 3.39Å; F1110-M1114 VanDerWaalsContact O-CG 3.26Å; F1110-M1114 WeakPolarHBondContact O-CG 3.48Å; F1110-M1114 PolarHBondContact O-N 3.41Å
1111	A	88.9	Confident	79.9	Confident	25 Å²	25	56.8 Å²	56.8	21%	0.207	29%	0.29	C	S	.	.	H	α-helix	trans	-59.8	-44.3	177.1	0	0	0	0	0	111.9	E869 C1107 E1108 L1115	E869-A1111 HydrophobicContact CB-CB 4.41Å; E869-A1111 VanDerWaalsContact O-CA 3.25Å; E869-A1111 WeakPolarHBondContact O-CA 3.21Å; E869-A1111 VanDerWaalsContact O-CB 3.22Å; E869-A1111 WeakPolarHBondContact O-CB 3.5Å; C1107-A1111 WeakPolarHBondContact O-CB 3.45Å; C1107-A1111 PolarHBondContact O-N 3.37Å; E1108-A1111 PolarHBondContact O-N 3.45Å; A1111-L1115 WeakPolarHBondContact O-CB 3.43Å; A1111-L1115 WeakPolarHBondContact O-CG 3.43Å; A1111-L1115 PolarHBondContact O-N 2.95Å
1112	R	89.6	Confident	78	Confident	128 Å²	128	58.8 Å²	58.8	48%	0.483	31%	0.313	S	S	.	.	H	α-helix	trans	-62.3	-43.8	179.8	-165.8	-170.3	-57.6	143.6	-2.1	112.7	E1108 R1109 F1110 S1116	E1108-R1112 VanDerWaalsContact O-CB 3.29Å; E1108-R1112 WeakPolarHBondContact O-CB 3.5Å; E1108-R1112 PolarHBondContact O-N 3.04Å; E1108-R1112 IonicContact OE1-CZ 2.73Å; E1108-R1112 IonicContact OE1-NE 3.01Å; E1108-R1112 IonicContact OE1-NH2 3.41Å; E1108-R1112 PolarHBondContact OE1-NH2 3.49Å; E1108-R1112 IonicContact OE2-NH2 2.98Å; E1108-R1112 PolarHBondContact OE2-NH2 2.92Å; R1109-R1112 PolarHBondContact O-N 3.46Å; F1110-R1112 VanDerWaalsContact C-N 3.34Å; F1110-R1112 PolarHBondContact O-N 2.79Å; R1112-S1116 PolarHBondContact O-N 3.27Å
1113	I	89.1	Confident	76	Confident	8 Å²	8	64.7 Å²	64.7	4%	0.041	34%	0.341	C	S	.	.	H	α-helix	trans	-71.9	-44.6	-178.8	-160.8	68.1	0	0	0	111	I952 L955 E956 Q959 R1109 F1110 L1115 S1116 L1117	I952-I1113 HydrophobicContact CG1-CG2 4.19Å; L955-I1113 HydrophobicContact CB-CD1 3.98Å; L955-I1113 HydrophobicContact CB-CG1 3.55Å; L955-I1113 HydrophobicContact CD1-CG1 4.16Å; L955-I1113 HydrophobicContact CD1-CG2 4.48Å; E956-I1113 HydrophobicContact CG-CD1 4.02Å; Q959-I1113 VanDerWaalsContact NE2-CD1 3.33Å; R1109-I1113 WeakPolarHBondContact O-CG2 3.35Å; R1109-I1113 PolarHBondContact O-N 3.39Å; F1110-I1113 WeakPolarHBondContact O-CG2 3.49Å; F1110-I1113 PolarHBondContact O-N 2.92Å; I1113-L1115 PolarHBondContact O-N 2.98Å; I1113-S1116 WeakPolarHBondContact O-CA 3.37Å; I1113-S1116 WeakPolarHBondContact O-CB 3.23Å; I1113-S1116 PolarHBondContact O-N 3.39Å; I1113-L1117 WeakPolarHBondContact O-CG 3.48Å; I1113-L1117 PolarHBondContact O-N 2.77Å
1114	M	87.1	Confident	74.4	Confident	24 Å²	24	65.5 Å²	65.5	12%	0.118	35%	0.353	C	S	.	.	H	α-helix	trans	-65.1	-36.2	177.9	-64.9	-60	-74.6	0	0	112.5	P868 E869 L993 F1110 S1116 L1117 S1118	P868-M1114 HydrophobicContact CB-CE 4.18Å; E869-M1114 HydrophobicContact CB-CB 4.27Å; L993-M1114 HydrophobicContact CD2-CE 3.98Å; L993-M1114 HydrophobicContact CD2-SD 4.2Å; F1110-M1114 HydrophobicContact CD1-CG 4.18Å; F1110-M1114 HydrophobicContact CD2-CG 4.48Å; F1110-M1114 HydrophobicContact CE1-CG 3.87Å; F1110-M1114 HydrophobicContact CE2-CG 4.2Å; F1110-M1114 HydrophobicContact CG-CG 4.48Å; F1110-M1114 HydrophobicContact CZ-CG 3.89Å; F1110-M1114 HydrophobicContact CZ-SD 4.4Å; F1110-M1114 WeakPolarHBondContact O-CB 3.39Å; F1110-M1114 VanDerWaalsContact O-CG 3.26Å; F1110-M1114 WeakPolarHBondContact O-CG 3.48Å; F1110-M1114 PolarHBondContact O-N 3.41Å; M1114-S1116 PolarHBondContact O-N 3.12Å; M1114-L1117 PolarHBondContact O-N 2.85Å; M1114-L1117 HydrophobicContact SD-CD1 4.3Å; M1114-S1118 WeakPolarHBondContact O-CB 3.47Å; M1114-S1118 PolarHBondContact O-N 2.93Å; M1114-S1118 PolarHBondContact O-OG 3.06Å
1115	L	85.8	Confident	72.1	Confident	60 Å²	60	71.3 Å²	71.3	31%	0.314	37%	0.371	S	S	.	.	H	α-helix	trans	-66.3	-21.3	170.3	-78.5	175.2	0	0	0	114	E869 A1111 I1113 S1118 R1119	E869-L1115 HydrophobicContact CB-CD1 4.45Å; E869-L1115 HydrophobicContact CB-CD2 3.92Å; E869-L1115 HydrophobicContact CB-CG 3.65Å; E869-L1115 HydrophobicContact CG-CD2 3.79Å; E869-L1115 HydrophobicContact CG-CG 3.99Å; A1111-L1115 WeakPolarHBondContact O-CB 3.43Å; A1111-L1115 WeakPolarHBondContact O-CG 3.43Å; A1111-L1115 PolarHBondContact O-N 2.95Å; I1113-L1115 PolarHBondContact O-N 2.98Å; L1115-S1118 PolarHBondContact O-OG 3.24Å; L1115-R1119 VanDerWaalsContact O-CD 3.3Å; L1115-R1119 WeakPolarHBondContact O-CD 3.28Å; L1115-R1119 WeakPolarHBondContact O-CG 3.19Å; L1115-R1119 PolarHBondContact O-NE 3.39Å
1116	S	83.6	Confident	71.5	Confident	47 Å²	47	71.8 Å²	71.8	33%	0.329	38%	0.375	S	S	.	.	H	α-helix	trans	-78	-49.3	172.4	-161.1	0	0	0	0	109.6	Q959 R1112 I1113 M1114 S1118 R1119	Q959-S1116 PolarHBondContact NE2-OG 2.87Å; Q959-S1116 PolarHBondContact OE1-OG 3.27Å; R1112-S1116 PolarHBondContact O-N 3.27Å; I1113-S1116 WeakPolarHBondContact O-CA 3.37Å; I1113-S1116 WeakPolarHBondContact O-CB 3.23Å; I1113-S1116 PolarHBondContact O-N 3.39Å; M1114-S1116 PolarHBondContact O-N 3.12Å; S1116-S1118 VanDerWaalsContact C-N 3.35Å; S1116-S1118 PolarHBondContact O-N 3.46Å; S1116-R1119 PolarHBondContact O-N 3.29Å
1117	L	79.2	Confident	70.6	Confident	23 Å²	23	75.6 Å²	75.6	12%	0.12	39%	0.394	C	S	.	.	H	α-helix	trans	-61.3	-40.2	179.5	-55	-166.7	0	0	0	112.6	L955 L993 Y997 I1113 M1114 R1119 T1120	L955-L1117 HydrophobicContact CD1-CD1 3.97Å; L955-L1117 HydrophobicContact CD2-CD1 4.13Å; L993-L1117 HydrophobicContact CD1-CD1 4.12Å; Y997-L1117 HydrophobicContact CE2-CD1 3.77Å; Y997-L1117 HydrophobicContact CE2-CD2 4.38Å; I1113-L1117 WeakPolarHBondContact O-CG 3.48Å; I1113-L1117 PolarHBondContact O-N 2.77Å; M1114-L1117 PolarHBondContact O-N 2.85Å; M1114-L1117 HydrophobicContact SD-CD1 4.3Å; L1117-R1119 PolarHBondContact O-N 2.95Å; L1117-T1120 WeakPolarHBondContact O-CB 3.45Å; L1117-T1120 PolarHBondContact O-N 2.92Å; L1117-T1120 PolarHBondContact O-OG1 3.03Å
1118	S	65.6	Low	69.7	Low	56 Å²	56	79.1 Å²	79.1	39%	0.392	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-6	-178.4	65.5	0	0	0	0	115	M1114 L1115 S1116	M1114-S1118 WeakPolarHBondContact O-CB 3.47Å; M1114-S1118 PolarHBondContact O-N 2.93Å; M1114-S1118 PolarHBondContact O-OG 3.06Å; L1115-S1118 PolarHBondContact O-OG 3.24Å; S1116-S1118 VanDerWaalsContact C-N 3.35Å; S1116-S1118 PolarHBondContact O-N 3.46Å
1119	R	60.6	Low	68.6	Low	199 Å²	199	78.3 Å²	78.3	75%	0.751	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.2	-6	174.6	-62.2	171.9	-171.3	-158	-2.4	113.4	L1115 S1116 L1117	L1115-R1119 VanDerWaalsContact O-CD 3.3Å; L1115-R1119 WeakPolarHBondContact O-CD 3.28Å; L1115-R1119 WeakPolarHBondContact O-CG 3.19Å; L1115-R1119 PolarHBondContact O-NE 3.39Å; S1116-R1119 PolarHBondContact O-N 3.29Å; L1117-R1119 PolarHBondContact O-N 2.95Å
1120	T	51.8	Low	67.2	Low	80 Å²	80	81.1 Å²	81.1	49%	0.491	43%	0.428	S	S	.	.	S	Bend	trans	-78	146	178.7	-29.3	0	0	0	0	110.2	L1117	L1117-T1120 WeakPolarHBondContact O-CB 3.45Å; L1117-T1120 PolarHBondContact O-N 2.92Å; L1117-T1120 PolarHBondContact O-OG1 3.03Å
1121	P	38.7	Very low	65.6	Low	110 Å²	110	85.7 Å²	85.7	71%	0.714	45%	0.453	S	S	*	.			trans	-60.4	163.1	176.4	-26.8	37.2	0	0	0	114.4	D1123	P1121-D1123 VanDerWaalsContact C-N 3.31Å; P1121-D1123 PolarHBondContact O-N 2.82Å
1122	A	42.2	Very low	64	Low	76 Å²	76	90.1 Å²	90.1	63%	0.628	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.3	20.2	-154.8	0	0	0	0	0	117.5	G1124	A1122-G1124 VanDerWaalsContact C-N 3.34Å
1123	D	40.9	Very low	62	Low	169 Å²	169	87.2 Å²	87.2	90%	0.904	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	-2.8	175.2	-66.1	-45.1	0	0	0	113.3	P1121	P1121-D1123 VanDerWaalsContact C-N 3.31Å; P1121-D1123 PolarHBondContact O-N 2.82Å
1124	G	48.2	Very low	59.7	Low	38 Å²	38	93.8 Å²	93.8	39%	0.392	51%	0.506	S	S	.	.			trans	-122.7	72.3	172.3	0	0	0	0	0	111.9	A1122	A1122-G1124 VanDerWaalsContact C-N 3.34Å
1125	R	33.1	Very low	57.2	Low	243 Å²	243	100.1 Å²	100.1	92%	0.917	54%	0.541	S	S	*	.			trans	-151.5	0	176.4	-79.3	-164.6	-176.9	-162.3	1.6	111.2

Retrieved 1,125 of 1,125 residues in 328.1 ms (Link to these results)

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