A0A2J8PBA1_PANTR Loading...

RNA-binding protein 26

May be involved in the turnover of nuclear polyadenylated (pA+) RNA.

AlphaFold DB , UniProt , Accession A0A2J8PBA1, Species PANTR (Pan troglodytes, Chimpanzee), Gene n/a, Length 1,009 aa.

						>A0A2J8PBA1_PANTR|A0A2J8PBA1
MVSKMIIENFEALKSWLSKTLEPICDADPSALAKYVLALVKKDKSEKELKALCIDQLDVFLQKETQIFVEKLFDAVNTKSYLPPPEQPSSGSLKVEFFPHQEKDIKKEEITKEEEREKKFSRRLNHSPPQSSSRYRENRSRDERKKDDRSRKRDYDRNPPRRDSYRDRYNRRRGRSRSYSRSRSRSWSKERLRERDRDRSRTRSRSRTRSRERDLVKPKYDLDRTDPLENNYTPVSSVPSISSGHYPVPTLSSTITVIAPTHHGNNTTESWSEFHEDQVDHNSYVRPPMPKKRCRDYDEKGFCMRGDMCPFDHGSDPVVVEDVNLPGMLPFPAQPPVVEGPPPPGLPPPPPILTPPPVNLRPPVPPPGPLPPSLPPVTGPPPPLPPLQPSGMDAPPNSATSSVPTVVTTGIHHQPPPAPPSLFTAVFVLPDTYDTDGYNPEAPSITNTSRPMYRHRVHAQRPNLIGLTSGDMDLPPREKPPNKSSMRIVVDSESRKRTIGSGEPGVPTKKTWFDKPNFNRTNSPGFQKKVQFGNENTKLELRKVPPELNNISKLNEHFSRFGTLVNLQVAYNGDPEGALIQFATYEEAKKAISSTEAVLNNRFIKVYWHREGSTQQLQTTSPKPLVQQPILPVVKQSVKERLGPVPSSTIEPAEAQSASSDLPQNVTKLSVKDRLGFVSKPSVSATEKVLSTSTGLTKTVYNPAALKAAQKTLLVSTSAVDNNEAQKKKQEALKLQQDVRKRKQEILEKHIETQKMLISKLEKNKTMKSEDKAEIMKTLEVLTKNITKLKDEVKAASPGRCLPKSIKTKTQMQKELLDTELDLYKKMQAGEEVTELRRKYTELQLEAAKRGILSSGRGRGIHSRGRGAVHGRGRGRGRGRGVPGHAVVDHRPRALEISAFTESDREDLLPHFAQYGEIEDCQIDDSSLHAVITFKTRAEAEAAAVHGARFKGQDLKLAWNKPVTNISAVETEEVEPDEEEFQEESLVDDSLLQDDDEEEEDNESRSWRR
					

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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	37.1	Very low	61.8	Low	241 Å²	241	108 Å²	108	100%	1.187	55%	0.55	S	S	*	.				0	134.3	0	-66.1	166.7	177.6	0	0	107.1
2	V	40.7	Very low	63.4	Low	100 Å²	100	100.6 Å²	100.6	61%	0.606	52%	0.517	S	S	*	.			trans	-90.1	113.1	176.3	-178.1	0	0	0	0	108	K4	V2-K4 PolarHBondContact O-N 3.24Å
3	S	45.1	Very low	64.8	Low	103 Å²	103	92.9 Å²	92.9	72%	0.72	48%	0.477	S	S	*	.			trans	-69	99.5	173.9	-57.7	0	0	0	0	109.3	M5	S3-M5 PolarHBondContact O-N 2.6Å
4	K	54.3	Low	66.3	Low	129 Å²	129	91.8 Å²	91.8	56%	0.561	47%	0.467	S	S	*	.			trans	-62.1	126.7	170	-81.7	172.2	164.9	-80.1	0	109	V2 I6 D43	V2-K4 PolarHBondContact O-N 3.24Å; K4-I6 PolarHBondContact O-N 3.32Å; K4-D43 IonicContact NZ-OD1 3.17Å; K4-D43 PolarHBondContact NZ-OD1 3.31Å; K4-D43 IonicContact NZ-OD2 3.52Å; K4-D43 PolarHBondContact NZ-OD2 3.39Å
5	M	64.4	Low	67.5	Low	46 Å²	46	90.8 Å²	90.8	23%	0.227	47%	0.472	C	S	.	.			trans	-74.8	114.1	177.5	-151.5	177.5	-154.5	0	0	109.4	S3 I7 V40 F73 V76 N77	S3-M5 PolarHBondContact O-N 2.6Å; M5-I7 PolarHBondContact O-N 2.71Å; M5-V40 HydrophobicContact SD-CG1 3.95Å; M5-F73 HydrophobicContact CE-CB 4.33Å; M5-F73 HydrophobicContact CE-CD1 3.4Å; M5-F73 VanDerWaalsContact CE-CD1 3.4Å; M5-F73 HydrophobicContact CE-CE1 3.96Å; M5-F73 HydrophobicContact CE-CG 4.09Å; M5-F73 HydrophobicContact SD-CD1 3.92Å; M5-F73 HydrophobicContact SD-CE1 3.82Å; M5-V76 HydrophobicContact CE-CB 3.72Å; M5-V76 HydrophobicContact CE-CG1 3.6Å; M5-V76 HydrophobicContact CG-CG1 3.85Å; M5-V76 HydrophobicContact SD-CB 4.33Å; M5-V76 HydrophobicContact SD-CG1 3.78Å; M5-N77 VanDerWaalsContact CE-OD1 3.22Å; M5-N77 WeakPolarHBondContact CE-OD1 3.17Å
6	I	63.9	Low	68.8	Low	130 Å²	130	88.6 Å²	88.6	67%	0.667	46%	0.456	S	S	*	.			trans	-92.2	102.5	-176	-57	178.1	0	0	0	109.2	K4 E8	K4-I6 PolarHBondContact O-N 3.32Å; I6-E8 HydrophobicContact CG2-CG 4.32Å
7	I	74	Confident	69.8	Low	16 Å²	16	83.4 Å²	83.4	8%	0.082	43%	0.429	C	S	.	.			trans	-82	115.9	168.8	-61.9	162.2	0	0	0	107.9	M5 F10 L13 V40 V76	M5-I7 PolarHBondContact O-N 2.71Å; I7-F10 HydrophobicContact CB-CD1 4.08Å; I7-F10 HydrophobicContact CB-CE1 3.69Å; I7-F10 HydrophobicContact CB-CZ 4.12Å; I7-F10 HydrophobicContact CD1-CD1 4.18Å; I7-F10 HydrophobicContact CD1-CE1 3.81Å; I7-F10 HydrophobicContact CG1-CE1 4.36Å; I7-F10 HydrophobicContact CG2-CD1 3.65Å; I7-F10 HydrophobicContact CG2-CE1 3.82Å; I7-F10 HydrophobicContact CG2-CG 4.1Å; I7-F10 HydrophobicContact CG2-CZ 4.4Å; I7-L13 HydrophobicContact CB-CD2 4.47Å; I7-L13 HydrophobicContact CD1-CD2 3.74Å; I7-L13 HydrophobicContact CG1-CD2 3.84Å; I7-L13 HydrophobicContact CG2-CB 4.34Å; I7-L13 HydrophobicContact CG2-CD2 3.76Å; I7-V40 HydrophobicContact CD1-CB 4.48Å; I7-V40 HydrophobicContact CD1-CG1 3.89Å; I7-V76 HydrophobicContact CG1-CG1 4.28Å
8	E	66.1	Low	70.7	Confident	106 Å²	106	80.6 Å²	80.6	50%	0.495	42%	0.418	S	S	.	.	S	Bend	trans	-83.5	-29.5	-175.8	-64.9	-175.6	153	0	0	112.6	I6 K79 Y81	I6-E8 HydrophobicContact CG2-CG 4.32Å; E8-K79 IonicContact OE1-NZ 2.64Å; E8-K79 PolarHBondContact OE1-NZ 3.08Å; E8-K79 WeakPolarHBondContact OE2-CD 3.39Å; E8-K79 WeakPolarHBondContact OE2-CE 3.41Å; E8-K79 IonicContact OE2-NZ 2.73Å; E8-K79 PolarHBondContact OE2-NZ 3.33Å; E8-Y81 PolarHBondContact N-OH 2.93Å
9	N	76.1	Confident	71.4	Confident	68 Å²	68	81.5 Å²	81.5	36%	0.364	42%	0.419	S	S	.	.			trans	-140.5	105	173.4	-173	-23.5	0	0	0	111.2	E11 A12 L13 Y81 L82	N9-E11 VanDerWaalsContact C-N 3.29Å; N9-E11 PolarHBondContact O-N 3.05Å; N9-E11 PolarHBondContact OD1-N 3.4Å; N9-A12 HydrophobicContact CB-CB 3.93Å; N9-A12 PolarHBondContact OD1-N 3.03Å; N9-L13 WeakPolarHBondContact O-CB 3.42Å; N9-L13 PolarHBondContact O-N 3.26Å; N9-Y81 HydrophobicContact CB-CE2 4.34Å; N9-Y81 WeakPolarHBondContact O-CE2 3.4Å; N9-L82 HydrophobicContact CB-CD2 3.74Å
10	F	78.3	Confident	72.1	Confident	96 Å²	96	79.3 Å²	79.3	42%	0.421	41%	0.409	S	S	.	.	H	α-helix	trans	-66.1	-27.2	179.2	-64.7	-77	0	0	0	113.8	I7 K14 K41	I7-F10 HydrophobicContact CB-CD1 4.08Å; I7-F10 HydrophobicContact CB-CE1 3.69Å; I7-F10 HydrophobicContact CB-CZ 4.12Å; I7-F10 HydrophobicContact CD1-CD1 4.18Å; I7-F10 HydrophobicContact CD1-CE1 3.81Å; I7-F10 HydrophobicContact CG1-CE1 4.36Å; I7-F10 HydrophobicContact CG2-CD1 3.65Å; I7-F10 HydrophobicContact CG2-CE1 3.82Å; I7-F10 HydrophobicContact CG2-CG 4.1Å; I7-F10 HydrophobicContact CG2-CZ 4.4Å; F10-K14 VanDerWaalsContact O-CB 3.29Å; F10-K14 WeakPolarHBondContact O-CB 3.36Å; F10-K14 PolarHBondContact O-N 3.42Å; F10-K41 VanDerWaalsContact CD1-CE 3.44Å; F10-K41 HydrophobicContact CE1-CD 4.4Å; F10-K41 HydrophobicContact CE1-CG 4.31Å
11	E	79.6	Confident	72.6	Confident	153 Å²	153	75.5 Å²	75.5	72%	0.715	39%	0.389	S	S	*	.	H	α-helix	trans	-83	-40.5	-177.7	-174.5	160.1	-138.6	0	0	111.4	N9 K14 S15	N9-E11 VanDerWaalsContact C-N 3.29Å; N9-E11 PolarHBondContact O-N 3.05Å; N9-E11 PolarHBondContact OD1-N 3.4Å; E11-K14 WeakPolarHBondContact O-CB 3.23Å; E11-K14 PolarHBondContact O-N 2.9Å; E11-S15 PolarHBondContact O-N 3.42Å
12	A	80.6	Confident	74.8	Confident	19 Å²	19	70.5 Å²	70.5	16%	0.157	36%	0.363	C	S	.	.	H	α-helix	trans	-61.3	-45	169.3	0	0	0	0	0	111.3	N9 K14 S15 W16 Y81 L82	N9-A12 HydrophobicContact CB-CB 3.93Å; N9-A12 PolarHBondContact OD1-N 3.03Å; A12-K14 VanDerWaalsContact C-N 3.35Å; A12-K14 PolarHBondContact O-N 2.84Å; A12-S15 PolarHBondContact O-N 3.46Å; A12-W16 WeakPolarHBondContact O-CB 3.22Å; A12-W16 PolarHBondContact O-N 3.06Å; A12-Y81 HydrophobicContact CB-CD2 3.98Å; A12-L82 HydrophobicContact CB-CD2 4.08Å
13	L	82.7	Confident	76.7	Confident	1 Å²	1	70.7 Å²	70.7	1%	0.005	37%	0.366	C	S	.	.	H	α-helix	trans	-64.2	-37.6	174.7	-174.6	60.4	0	0	0	112.1	I7 N9 W16 L17 L37 L72 V76 Y81	I7-L13 HydrophobicContact CB-CD2 4.47Å; I7-L13 HydrophobicContact CD1-CD2 3.74Å; I7-L13 HydrophobicContact CG1-CD2 3.84Å; I7-L13 HydrophobicContact CG2-CB 4.34Å; I7-L13 HydrophobicContact CG2-CD2 3.76Å; N9-L13 WeakPolarHBondContact O-CB 3.42Å; N9-L13 PolarHBondContact O-N 3.26Å; L13-W16 HydrophobicContact CD1-CE3 4.28Å; L13-W16 PolarHBondContact O-N 3.14Å; L13-L17 HydrophobicContact CD1-CG 4.48Å; L13-L17 HydrophobicContact CG-CD1 4.13Å; L13-L17 HydrophobicContact CG-CG 4.49Å; L13-L17 VanDerWaalsContact O-CB 3.28Å; L13-L17 WeakPolarHBondContact O-CB 3.33Å; L13-L17 VanDerWaalsContact O-CG 3.23Å; L13-L17 WeakPolarHBondContact O-CG 3.23Å; L13-L17 PolarHBondContact O-N 2.94Å; L13-L37 HydrophobicContact CB-CD2 4.39Å; L13-L37 HydrophobicContact CD2-CD2 3.73Å; L13-L37 HydrophobicContact CG-CD2 3.98Å; L13-L72 HydrophobicContact CD1-CD1 4.25Å; L13-V76 HydrophobicContact CD1-CG2 3.8Å; L13-V76 HydrophobicContact CD2-CG2 3.86Å; L13-Y81 HydrophobicContact CB-CD2 3.82Å; L13-Y81 HydrophobicContact CB-CE2 4.09Å; L13-Y81 HydrophobicContact CB-CG 4.18Å; L13-Y81 HydrophobicContact CD1-CD1 4.02Å; L13-Y81 HydrophobicContact CD1-CD2 4.43Å; L13-Y81 HydrophobicContact CD1-CG 3.92Å
14	K	85.4	Confident	78.2	Confident	77 Å²	77	67.9 Å²	67.9	34%	0.335	34%	0.343	S	S	.	.	H	α-helix	trans	-60.5	-44.8	172.9	-170.6	-168.6	169.2	-157.7	0	111.9	F10 E11 A12 L17 S18 A33 L37	F10-K14 VanDerWaalsContact O-CB 3.29Å; F10-K14 WeakPolarHBondContact O-CB 3.36Å; F10-K14 PolarHBondContact O-N 3.42Å; E11-K14 WeakPolarHBondContact O-CB 3.23Å; E11-K14 PolarHBondContact O-N 2.9Å; A12-K14 VanDerWaalsContact C-N 3.35Å; A12-K14 PolarHBondContact O-N 2.84Å; K14-L17 WeakPolarHBondContact O-CB 3.39Å; K14-L17 PolarHBondContact O-N 3.47Å; K14-S18 PolarHBondContact O-N 2.79Å; K14-S18 PolarHBondContact O-OG 2.74Å; K14-S18 VanDerWaalsContact O-OG 3.12Å; K14-A33 HydrophobicContact CG-CB 4.43Å; K14-L37 HydrophobicContact CB-CD1 3.7Å; K14-L37 HydrophobicContact CG-CD1 3.94Å
15	S	84.9	Confident	79.2	Confident	77 Å²	77	62.4 Å²	62.4	54%	0.538	32%	0.32	S	S	.	.	H	α-helix	trans	-66.7	-42.1	-179.9	-177	0	0	0	0	111.9	E11 A12 S18 K19	E11-S15 PolarHBondContact O-N 3.42Å; A12-S15 PolarHBondContact O-N 3.46Å; S15-S18 PolarHBondContact O-OG 2.86Å; S15-K19 WeakPolarHBondContact O-CB 3.33Å; S15-K19 PolarHBondContact O-N 2.92Å
16	W	87.4	Confident	79.5	Confident	55 Å²	55	68.9 Å²	68.9	21%	0.208	36%	0.356	C	S	.	.	H	α-helix	trans	-59.6	-49.5	172	-174.5	92.1	0	0	0	110.9	A12 L13 S18 K19 T20 L72 A75	A12-W16 WeakPolarHBondContact O-CB 3.22Å; A12-W16 PolarHBondContact O-N 3.06Å; L13-W16 HydrophobicContact CD1-CE3 4.28Å; L13-W16 PolarHBondContact O-N 3.14Å; W16-S18 PolarHBondContact O-N 2.87Å; W16-K19 PolarHBondContact O-N 2.89Å; W16-T20 HydrophobicContact CD2-CG2 4.01Å; W16-T20 HydrophobicContact CE3-CG2 4.22Å; W16-T20 HydrophobicContact CH2-CG2 4.02Å; W16-T20 HydrophobicContact CZ2-CG2 3.81Å; W16-T20 HydrophobicContact CZ3-CG2 4.21Å; W16-T20 PolarHBondContact O-N 2.9Å; W16-T20 PolarHBondContact O-OG1 2.99Å; W16-L72 HydrophobicContact CZ3-CB 4.36Å; W16-L72 HydrophobicContact CZ3-CD1 3.94Å; W16-A75 HydrophobicContact CD2-CB 4.4Å; W16-A75 HydrophobicContact CH2-CB 3.6Å; W16-A75 HydrophobicContact CZ2-CB 3.38Å; W16-A75 HydrophobicContact CZ3-CB 4.18Å
17	L	86.8	Confident	80	Confident	0 Å²	0	65 Å²	65	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-54.9	-54.8	176.9	-81.5	167.6	0	0	0	112.2	L13 K14 K19 T20 L21 A33 V36 L37 F68 L72	L13-L17 HydrophobicContact CD1-CG 4.48Å; L13-L17 HydrophobicContact CG-CD1 4.13Å; L13-L17 HydrophobicContact CG-CG 4.49Å; L13-L17 VanDerWaalsContact O-CB 3.28Å; L13-L17 WeakPolarHBondContact O-CB 3.33Å; L13-L17 VanDerWaalsContact O-CG 3.23Å; L13-L17 WeakPolarHBondContact O-CG 3.23Å; L13-L17 PolarHBondContact O-N 2.94Å; K14-L17 WeakPolarHBondContact O-CB 3.39Å; K14-L17 PolarHBondContact O-N 3.47Å; L17-K19 PolarHBondContact O-N 3.3Å; L17-T20 WeakPolarHBondContact CA-OG1 3.4Å; L17-T20 PolarHBondContact O-N 3.13Å; L17-T20 VanDerWaalsContact O-N 3.11Å; L17-T20 PolarHBondContact O-OG1 3.01Å; L17-L21 HydrophobicContact CB-CD1 4.43Å; L17-L21 WeakPolarHBondContact O-CB 3.35Å; L17-L21 WeakPolarHBondContact O-CD1 3.5Å; L17-L21 VanDerWaalsContact O-CG 3.23Å; L17-L21 WeakPolarHBondContact O-CG 3.4Å; L17-L21 PolarHBondContact O-N 2.95Å; L17-A33 HydrophobicContact CB-CB 3.73Å; L17-V36 HydrophobicContact CD1-CB 4.3Å; L17-V36 HydrophobicContact CD1-CG1 4.04Å; L17-V36 HydrophobicContact CD2-CB 4.26Å; L17-V36 HydrophobicContact CD2-CG1 3.67Å; L17-L37 HydrophobicContact CD1-CD1 4.28Å; L17-L37 HydrophobicContact CD1-CD2 3.88Å; L17-L37 HydrophobicContact CD1-CG 3.64Å; L17-F68 HydrophobicContact CD2-CE2 4.47Å; L17-F68 HydrophobicContact CD2-CZ 3.67Å; L17-L72 HydrophobicContact CD2-CD1 3.78Å; L17-L72 HydrophobicContact CD2-CD2 4.4Å; L17-L72 HydrophobicContact CG-CD1 4.46Å
18	S	85.6	Confident	80.4	Confident	34 Å²	34	70 Å²	70	24%	0.238	37%	0.37	C	S	.	.	H	α-helix	trans	-56.4	-39.6	-179.6	47.1	0	0	0	0	112.2	K14 S15 W16 L21 E22	K14-S18 PolarHBondContact O-N 2.79Å; K14-S18 PolarHBondContact O-OG 2.74Å; K14-S18 VanDerWaalsContact O-OG 3.12Å; S15-S18 PolarHBondContact O-OG 2.86Å; W16-S18 PolarHBondContact O-N 2.87Å; S18-L21 PolarHBondContact O-N 3.46Å; S18-E22 VanDerWaalsContact O-CB 3.26Å; S18-E22 WeakPolarHBondContact O-CB 3.48Å; S18-E22 PolarHBondContact O-N 3.05Å
19	K	84.5	Confident	81.2	Confident	98 Å²	98	66.6 Å²	66.6	43%	0.426	36%	0.358	S	S	.	.	H	α-helix	trans	-76.8	-23.3	-178.9	-173.5	172.9	179.9	176.4	0	114	S15 W16 L17 P622	S15-K19 WeakPolarHBondContact O-CB 3.33Å; S15-K19 PolarHBondContact O-N 2.92Å; W16-K19 PolarHBondContact O-N 2.89Å; L17-K19 PolarHBondContact O-N 3.3Å; K19-P622 PolarHBondContact NZ-O 2.95Å
20	T	83.9	Confident	81.4	Confident	36 Å²	36	66 Å²	66	22%	0.221	36%	0.358	C	S	.	.	H	α-helix	trans	-87.9	-17.8	172.1	50	0	0	0	0	113.6	W16 L17 I24	W16-T20 HydrophobicContact CD2-CG2 4.01Å; W16-T20 HydrophobicContact CE3-CG2 4.22Å; W16-T20 HydrophobicContact CH2-CG2 4.02Å; W16-T20 HydrophobicContact CZ2-CG2 3.81Å; W16-T20 HydrophobicContact CZ3-CG2 4.21Å; W16-T20 PolarHBondContact O-N 2.9Å; W16-T20 PolarHBondContact O-OG1 2.99Å; L17-T20 WeakPolarHBondContact CA-OG1 3.4Å; L17-T20 PolarHBondContact O-N 3.13Å; L17-T20 VanDerWaalsContact O-N 3.11Å; L17-T20 PolarHBondContact O-OG1 3.01Å; T20-I24 VanDerWaalsContact O-CD1 3.23Å; T20-I24 WeakPolarHBondContact O-CD1 3.43Å; T20-I24 WeakPolarHBondContact O-CG1 3.46Å
21	L	84.1	Confident	81.8	Confident	0 Å²	0	63.5 Å²	63.5	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-92.8	-33.7	177.8	-71.3	167.4	0	0	0	112.7	L17 S18 P23 I24 C25 P29 L32 A33 L61 F68	L17-L21 HydrophobicContact CB-CD1 4.43Å; L17-L21 WeakPolarHBondContact O-CB 3.35Å; L17-L21 WeakPolarHBondContact O-CD1 3.5Å; L17-L21 VanDerWaalsContact O-CG 3.23Å; L17-L21 WeakPolarHBondContact O-CG 3.4Å; L17-L21 PolarHBondContact O-N 2.95Å; S18-L21 PolarHBondContact O-N 3.46Å; L21-P23 VanDerWaalsContact C-CD 3.41Å; L21-P23 VanDerWaalsContact C-N 3.3Å; L21-I24 PolarHBondContact O-N 3.05Å; L21-C25 PolarHBondContact O-N 3.4Å; L21-P29 HydrophobicContact CB-CB 3.9Å; L21-L32 HydrophobicContact CD1-CB 4.4Å; L21-L32 HydrophobicContact CD1-CD2 3.45Å; L21-L32 VanDerWaalsContact CD1-CD2 3.45Å; L21-L32 HydrophobicContact CD2-CD2 3.61Å; L21-L32 HydrophobicContact CG-CD2 4.14Å; L21-A33 HydrophobicContact CD1-CB 4.24Å; L21-L61 HydrophobicContact CD2-CD1 3.94Å; L21-L61 HydrophobicContact CD2-CD2 3.92Å; L21-F68 HydrophobicContact CD1-CZ 4.21Å; L21-F68 HydrophobicContact CD2-CD1 4.49Å; L21-F68 HydrophobicContact CD2-CD2 4.08Å; L21-F68 HydrophobicContact CD2-CE1 3.96Å; L21-F68 HydrophobicContact CD2-CE2 3.49Å; L21-F68 VanDerWaalsContact CD2-CE2 3.49Å; L21-F68 HydrophobicContact CD2-CZ 3.41Å; L21-F68 VanDerWaalsContact CD2-CZ 3.41Å; L21-F68 HydrophobicContact CG-CE2 3.8Å; L21-F68 HydrophobicContact CG-CZ 3.78Å
22	E	82.3	Confident	82	Confident	136 Å²	136	56.9 Å²	56.9	64%	0.636	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46.7	-36.1	175.9	176.2	176.8	-153.4	0	0	115.5	S18 P29	S18-E22 VanDerWaalsContact O-CB 3.26Å; S18-E22 WeakPolarHBondContact O-CB 3.48Å; S18-E22 PolarHBondContact O-N 3.05Å; E22-P29 HydrophobicContact CB-CG 4.42Å
23	P	80.4	Confident	82.4	Confident	104 Å²	104	56 Å²	56	68%	0.675	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.5	3.4	174.8	36.4	-34.2	0	0	0	115.1	L21	L21-P23 VanDerWaalsContact C-CD 3.41Å; L21-P23 VanDerWaalsContact C-N 3.3Å
24	I	76.8	Confident	82.6	Confident	44 Å²	44	61.9 Å²	61.9	23%	0.226	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.9	-27.9	-174.6	-51.4	-177.3	0	0	0	112.1	T20 L21 L61 E64 F68	T20-I24 VanDerWaalsContact O-CD1 3.23Å; T20-I24 WeakPolarHBondContact O-CD1 3.43Å; T20-I24 WeakPolarHBondContact O-CG1 3.46Å; L21-I24 PolarHBondContact O-N 3.05Å; I24-L61 HydrophobicContact CB-CD2 4.41Å; I24-L61 HydrophobicContact CG2-CD2 3.92Å; I24-E64 HydrophobicContact CG2-CB 3.74Å; I24-E64 HydrophobicContact CG2-CG 4.34Å; I24-F68 HydrophobicContact CD1-CD2 4.32Å
25	C	76.2	Confident	82.7	Confident	14 Å²	14	62.1 Å²	62.1	10%	0.095	34%	0.343	C	S	.	.			trans	-123.2	130.3	-175.4	-157	0	0	0	0	111.3	L21 A27 F60 L61	L21-C25 PolarHBondContact O-N 3.4Å; C25-A27 PolarHBondContact O-N 2.93Å; C25-F60 PolarHBondContact SG-O 3.46Å; C25-F60 VanDerWaalsContact SG-O 3.34Å; C25-L61 HydrophobicContact CB-CD2 3.61Å
26	D	70.7	Confident	82.8	Confident	182 Å²	182	58.5 Å²	58.5	97%	0.973	32%	0.318	S	S	*	.	S	Bend	trans	-79.3	-6.7	174.8	-151.7	29.5	0	0	0	112.3
27	A	74.6	Confident	82.7	Confident	48 Å²	48	56.7 Å²	56.7	40%	0.397	31%	0.312	S	S	.	.	S	Bend	trans	-98.9	152.9	175.4	0	0	0	0	0	112.2	C25 P29	C25-A27 PolarHBondContact O-N 2.93Å; A27-P29 VanDerWaalsContact O-CD 3.27Å; A27-P29 WeakPolarHBondContact O-CD 3.47Å
28	D	82.4	Confident	82.6	Confident	121 Å²	121	59.2 Å²	59.2	65%	0.647	33%	0.333	S	S	*	.			trans	-39.6	100.7	-172.4	-116.4	-14	0	0	0	114.5	S30 A31 L32	D28-S30 PolarHBondContact O-N 3.28Å; D28-S30 VanDerWaalsContact O-N 3.11Å; D28-A31 HydrophobicContact CB-CB 3.81Å; D28-A31 WeakPolarHBondContact O-CB 3.16Å; D28-A31 PolarHBondContact O-N 3.42Å; D28-L32 PolarHBondContact O-N 2.68Å
29	P	81.6	Confident	82.5	Confident	36 Å²	36	57.7 Å²	57.7	23%	0.234	32%	0.322	C	S	.	.	H	α-helix	trans	-67.7	-21.7	-173.3	25.1	-34	0	0	0	112.2	L21 E22 A27 A33	L21-P29 HydrophobicContact CB-CB 3.9Å; E22-P29 HydrophobicContact CB-CG 4.42Å; A27-P29 VanDerWaalsContact O-CD 3.27Å; A27-P29 WeakPolarHBondContact O-CD 3.47Å; P29-A33 WeakPolarHBondContact O-CB 3.33Å; P29-A33 PolarHBondContact O-N 3.39Å
30	S	81.1	Confident	82.4	Confident	54 Å²	54	53.5 Å²	53.5	38%	0.378	31%	0.305	S	S	.	.	H	α-helix	trans	-74.9	-28	172.4	-172.8	0	0	0	0	113.2	D28 K34	D28-S30 PolarHBondContact O-N 3.28Å; D28-S30 VanDerWaalsContact O-N 3.11Å; S30-K34 WeakPolarHBondContact O-CD 3.2Å; S30-K34 WeakPolarHBondContact O-CE 3.32Å; S30-K34 VanDerWaalsContact O-CG 3.31Å; S30-K34 WeakPolarHBondContact O-CG 3.45Å
31	A	85.9	Confident	82.2	Confident	45 Å²	45	57.7 Å²	57.7	37%	0.372	32%	0.32	S	S	.	.	H	α-helix	trans	-79.2	-49.5	172.8	0	0	0	0	0	110.3	D28 A33 K34 Y35	D28-A31 HydrophobicContact CB-CB 3.81Å; D28-A31 WeakPolarHBondContact O-CB 3.16Å; D28-A31 PolarHBondContact O-N 3.42Å; A31-A33 VanDerWaalsContact C-N 3.33Å; A31-A33 PolarHBondContact O-N 3.49Å; A31-K34 WeakPolarHBondContact O-CB 3.35Å; A31-K34 PolarHBondContact O-N 2.64Å; A31-Y35 PolarHBondContact O-N 2.87Å; A31-Y35 VanDerWaalsContact O-N 3.14Å
32	L	85.1	Confident	82	Confident	13 Å²	13	62 Å²	62	7%	0.068	34%	0.338	C	S	.	.	H	α-helix	trans	-64.8	-35.9	-179.1	-162.4	144.9	0	0	0	111.9	L21 D28 K34 Y35 V36 L57 F60	L21-L32 HydrophobicContact CD1-CB 4.4Å; L21-L32 HydrophobicContact CD1-CD2 3.45Å; L21-L32 VanDerWaalsContact CD1-CD2 3.45Å; L21-L32 HydrophobicContact CD2-CD2 3.61Å; L21-L32 HydrophobicContact CG-CD2 4.14Å; D28-L32 PolarHBondContact O-N 2.68Å; L32-K34 VanDerWaalsContact C-N 3.3Å; L32-K34 PolarHBondContact O-N 2.82Å; L32-Y35 WeakPolarHBondContact O-CB 3.2Å; L32-Y35 PolarHBondContact O-N 3.29Å; L32-Y35 VanDerWaalsContact O-N 3.08Å; L32-V36 HydrophobicContact CD2-CG2 3.68Å; L32-V36 WeakPolarHBondContact O-CG2 3.33Å; L32-V36 PolarHBondContact O-N 3.25Å; L32-L57 HydrophobicContact CD2-CD2 4.2Å; L32-F60 HydrophobicContact CD1-CB 3.49Å; L32-F60 VanDerWaalsContact CD1-CB 3.49Å; L32-F60 HydrophobicContact CD1-CD1 3.92Å; L32-F60 HydrophobicContact CD1-CD2 4.13Å; L32-F60 HydrophobicContact CD1-CG 3.59Å
33	A	88.1	Confident	81.4	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-59.4	-35	170.4	0	0	0	0	0	113.7	K14 L17 L21 P29 A31 L37	K14-A33 HydrophobicContact CG-CB 4.43Å; L17-A33 HydrophobicContact CB-CB 3.73Å; L21-A33 HydrophobicContact CD1-CB 4.24Å; P29-A33 WeakPolarHBondContact O-CB 3.33Å; P29-A33 PolarHBondContact O-N 3.39Å; A31-A33 VanDerWaalsContact C-N 3.33Å; A31-A33 PolarHBondContact O-N 3.49Å; A33-L37 WeakPolarHBondContact O-CB 3.34Å; A33-L37 WeakPolarHBondContact O-CD1 3.44Å; A33-L37 VanDerWaalsContact O-CG 3.24Å; A33-L37 WeakPolarHBondContact O-CG 3.21Å; A33-L37 PolarHBondContact O-N 2.73Å; A33-L37 VanDerWaalsContact O-N 3.08Å
34	K	87.6	Confident	81.3	Confident	125 Å²	125	61 Å²	61	54%	0.543	33%	0.327	S	S	.	.	H	α-helix	trans	-67.2	-40.9	173.2	-62.4	161.2	-167.3	168.2	0	110.8	S30 A31 L32 L37 A38	S30-K34 WeakPolarHBondContact O-CD 3.2Å; S30-K34 WeakPolarHBondContact O-CE 3.32Å; S30-K34 VanDerWaalsContact O-CG 3.31Å; S30-K34 WeakPolarHBondContact O-CG 3.45Å; A31-K34 WeakPolarHBondContact O-CB 3.35Å; A31-K34 PolarHBondContact O-N 2.64Å; L32-K34 VanDerWaalsContact C-N 3.3Å; L32-K34 PolarHBondContact O-N 2.82Å; K34-L37 PolarHBondContact O-N 2.85Å; K34-A38 PolarHBondContact O-N 2.93Å
35	Y	87.4	Confident	81.5	Confident	83 Å²	83	60.7 Å²	60.7	33%	0.325	33%	0.329	S	S	.	.	H	α-helix	trans	-65.3	-47.3	178.8	-177.2	-103.2	0	0	0	111.7	A31 L32 L37 A38 L39 Q56 L57	A31-Y35 PolarHBondContact O-N 2.87Å; A31-Y35 VanDerWaalsContact O-N 3.14Å; L32-Y35 WeakPolarHBondContact O-CB 3.2Å; L32-Y35 PolarHBondContact O-N 3.29Å; L32-Y35 VanDerWaalsContact O-N 3.08Å; Y35-L37 VanDerWaalsContact C-N 3.33Å; Y35-L37 PolarHBondContact O-N 3.37Å; Y35-A38 CarbonylContact O-C 3.53Å; Y35-A38 WeakPolarHBondContact O-CA 3.18Å; Y35-A38 WeakPolarHBondContact O-CB 3.37Å; Y35-A38 PolarHBondContact O-N 3.3Å; Y35-L39 HydrophobicContact CD1-CD1 4.18Å; Y35-L39 HydrophobicContact CD1-CG 4.27Å; Y35-L39 HydrophobicContact CE1-CD1 3.7Å; Y35-L39 HydrophobicContact CE1-CD2 4.13Å; Y35-L39 HydrophobicContact CE1-CG 3.95Å; Y35-L39 PolarHBondContact O-N 3.45Å; Y35-Q56 HydrophobicContact CE1-CB 4.18Å; Y35-Q56 WeakPolarHBondContact OH-CB 3.32Å; Y35-Q56 PolarHBondContact OH-OE1 3.33Å; Y35-Q56 VanDerWaalsContact OH-OE1 3.08Å; Y35-L57 HydrophobicContact CD1-CD2 3.86Å; Y35-L57 HydrophobicContact CE1-CD2 3.99Å
36	V	86	Confident	81.6	Confident	1 Å²	1	63.7 Å²	63.7	1%	0.006	34%	0.342	C	S	.	.	H	α-helix	trans	-57.6	-44.5	173.8	176.2	0	0	0	0	111.3	L17 L32 A38 L39 V40 L57 F68 L72	L17-V36 HydrophobicContact CD1-CB 4.3Å; L17-V36 HydrophobicContact CD1-CG1 4.04Å; L17-V36 HydrophobicContact CD2-CB 4.26Å; L17-V36 HydrophobicContact CD2-CG1 3.67Å; L32-V36 HydrophobicContact CD2-CG2 3.68Å; L32-V36 WeakPolarHBondContact O-CG2 3.33Å; L32-V36 PolarHBondContact O-N 3.25Å; V36-A38 PolarHBondContact O-N 2.91Å; V36-L39 WeakPolarHBondContact O-CB 3.41Å; V36-L39 PolarHBondContact O-N 3.29Å; V36-L39 VanDerWaalsContact O-N 3.1Å; V36-V40 HydrophobicContact CG1-CG2 4.42Å; V36-V40 WeakPolarHBondContact O-CG2 3.31Å; V36-V40 PolarHBondContact O-N 3.48Å; V36-L57 HydrophobicContact CG2-CD1 3.79Å; V36-L57 HydrophobicContact CG2-CD2 3.8Å; V36-L57 HydrophobicContact CG2-CG 4.47Å; V36-F68 HydrophobicContact CG2-CE1 4.42Å; V36-L72 HydrophobicContact CG1-CD2 3.47Å; V36-L72 VanDerWaalsContact CG1-CD2 3.47Å
37	L	84.5	Confident	82.1	Confident	16 Å²	16	63.6 Å²	63.6	8%	0.084	33%	0.333	C	S	.	.	H	α-helix	trans	-62.5	-29.8	173.7	-74.3	168.1	0	0	0	113.2	L13 K14 L17 A33 K34 Y35 K41	L13-L37 HydrophobicContact CB-CD2 4.39Å; L13-L37 HydrophobicContact CD2-CD2 3.73Å; L13-L37 HydrophobicContact CG-CD2 3.98Å; K14-L37 HydrophobicContact CB-CD1 3.7Å; K14-L37 HydrophobicContact CG-CD1 3.94Å; L17-L37 HydrophobicContact CD1-CD1 4.28Å; L17-L37 HydrophobicContact CD1-CD2 3.88Å; L17-L37 HydrophobicContact CD1-CG 3.64Å; A33-L37 WeakPolarHBondContact O-CB 3.34Å; A33-L37 WeakPolarHBondContact O-CD1 3.44Å; A33-L37 VanDerWaalsContact O-CG 3.24Å; A33-L37 WeakPolarHBondContact O-CG 3.21Å; A33-L37 PolarHBondContact O-N 2.73Å; A33-L37 VanDerWaalsContact O-N 3.08Å; K34-L37 PolarHBondContact O-N 2.85Å; Y35-L37 VanDerWaalsContact C-N 3.33Å; Y35-L37 PolarHBondContact O-N 3.37Å; L37-K41 VanDerWaalsContact O-CB 3.3Å; L37-K41 WeakPolarHBondContact O-CB 3.32Å; L37-K41 WeakPolarHBondContact O-CD 3.32Å; L37-K41 WeakPolarHBondContact O-CG 3.19Å; L37-K41 PolarHBondContact O-N 2.9Å
38	A	85.1	Confident	82.5	Confident	54 Å²	54	66 Å²	66	45%	0.446	34%	0.336	S	S	.	.	H	α-helix	trans	-76.7	-29.6	173.4	0	0	0	0	0	112.6	K34 Y35 V36	K34-A38 PolarHBondContact O-N 2.93Å; Y35-A38 CarbonylContact O-C 3.53Å; Y35-A38 WeakPolarHBondContact O-CA 3.18Å; Y35-A38 WeakPolarHBondContact O-CB 3.37Å; Y35-A38 PolarHBondContact O-N 3.3Å; V36-A38 PolarHBondContact O-N 2.91Å
39	L	84	Confident	82.7	Confident	2 Å²	2	60.5 Å²	60.5	1%	0.01	31%	0.306	C	S	.	.	H	α-helix	trans	-68.6	-52.1	171.6	-64.8	-172.3	0	0	0	111.6	Y35 V36 K41 K42 Q56 L57	Y35-L39 HydrophobicContact CD1-CD1 4.18Å; Y35-L39 HydrophobicContact CD1-CG 4.27Å; Y35-L39 HydrophobicContact CE1-CD1 3.7Å; Y35-L39 HydrophobicContact CE1-CD2 4.13Å; Y35-L39 HydrophobicContact CE1-CG 3.95Å; Y35-L39 PolarHBondContact O-N 3.45Å; V36-L39 WeakPolarHBondContact O-CB 3.41Å; V36-L39 PolarHBondContact O-N 3.29Å; V36-L39 VanDerWaalsContact O-N 3.1Å; L39-K41 PolarHBondContact O-N 2.87Å; L39-K42 HydrophobicContact CD2-CD 4.36Å; L39-K42 VanDerWaalsContact O-CB 3.31Å; L39-K42 WeakPolarHBondContact O-CB 3.36Å; L39-K42 WeakPolarHBondContact O-CG 3.28Å; L39-K42 PolarHBondContact O-N 3.11Å; L39-Q56 HydrophobicContact CD1-CB 3.92Å; L39-Q56 HydrophobicContact CD2-CB 4.5Å; L39-L57 HydrophobicContact CD1-CD2 4.23Å; L39-L57 HydrophobicContact CD1-CG 4.22Å
40	V	82.2	Confident	82.8	Confident	10 Å²	10	61.3 Å²	61.3	6%	0.061	31%	0.306	C	S	.	.	H	α-helix	trans	-67	-21.5	-178.5	-175.5	0	0	0	0	112.1	M5 I7 V36 K42 L72	M5-V40 HydrophobicContact SD-CG1 3.95Å; I7-V40 HydrophobicContact CD1-CB 4.48Å; I7-V40 HydrophobicContact CD1-CG1 3.89Å; V36-V40 HydrophobicContact CG1-CG2 4.42Å; V36-V40 WeakPolarHBondContact O-CG2 3.31Å; V36-V40 PolarHBondContact O-N 3.48Å; V40-K42 VanDerWaalsContact C-N 3.3Å; V40-K42 PolarHBondContact O-N 3.18Å; V40-L72 HydrophobicContact CG2-CD2 4.24Å
41	K	79.6	Confident	83	Confident	124 Å²	124	61.5 Å²	61.5	54%	0.539	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-5.2	170.9	-81.6	175.4	-179.6	178.4	0	115.1	F10 L37 L39	F10-K41 VanDerWaalsContact CD1-CE 3.44Å; F10-K41 HydrophobicContact CE1-CD 4.4Å; F10-K41 HydrophobicContact CE1-CG 4.31Å; L37-K41 VanDerWaalsContact O-CB 3.3Å; L37-K41 WeakPolarHBondContact O-CB 3.32Å; L37-K41 WeakPolarHBondContact O-CD 3.32Å; L37-K41 WeakPolarHBondContact O-CG 3.19Å; L37-K41 PolarHBondContact O-N 2.9Å; L39-K41 PolarHBondContact O-N 2.87Å
42	K	80.4	Confident	83	Confident	90 Å²	90	61.6 Å²	61.6	39%	0.391	31%	0.305	S	S	.	.	S	Bend	trans	-73.7	130.1	176.6	-66.7	171.7	-178.3	176.7	0	109.4	L39 V40 K44 L49	L39-K42 HydrophobicContact CD2-CD 4.36Å; L39-K42 VanDerWaalsContact O-CB 3.31Å; L39-K42 WeakPolarHBondContact O-CB 3.36Å; L39-K42 WeakPolarHBondContact O-CG 3.28Å; L39-K42 PolarHBondContact O-N 3.11Å; V40-K42 VanDerWaalsContact C-N 3.3Å; V40-K42 PolarHBondContact O-N 3.18Å; K42-K44 VanDerWaalsContact C-N 3.34Å; K42-K44 PolarHBondContact O-N 2.83Å; K42-L49 HydrophobicContact CB-CD2 4Å; K42-L49 WeakPolarHBondContact O-CD2 3.27Å
43	D	69.8	Low	83	Confident	125 Å²	125	61 Å²	61	67%	0.668	30%	0.302	S	S	*	.	S	Bend	trans	-74.5	81.3	179.2	-94.1	-20.1	0	0	0	111.7	K4	K4-D43 IonicContact NZ-OD1 3.17Å; K4-D43 PolarHBondContact NZ-OD1 3.31Å; K4-D43 IonicContact NZ-OD2 3.52Å; K4-D43 PolarHBondContact NZ-OD2 3.39Å
44	K	78.4	Confident	83.1	Confident	93 Å²	93	63.4 Å²	63.4	40%	0.404	31%	0.314	S	S	.	.	S	Bend	trans	-136.5	172.3	174.8	-63	-173.4	175.8	-167.5	0	110.7	K42 E48 L49 L52	K42-K44 VanDerWaalsContact C-N 3.34Å; K42-K44 PolarHBondContact O-N 2.83Å; K44-E48 HydrophobicContact CB-CB 4.13Å; K44-E48 HydrophobicContact CD-CB 4.44Å; K44-L49 HydrophobicContact CB-CD2 3.88Å; K44-L49 HydrophobicContact CB-CG 3.97Å; K44-L52 HydrophobicContact CD-CD1 3.45Å; K44-L52 VanDerWaalsContact CD-CD1 3.45Å; K44-L52 VanDerWaalsContact NZ-CD1 3.33Å
45	S	80.6	Confident	83	Confident	38 Å²	38	62.2 Å²	62.2	27%	0.266	31%	0.314	S	S	.	.			trans	-72.1	155.6	175.8	72	0	0	0	0	112	K47 E48 L49	S45-K47 PolarHBondContact O-N 3.29Å; S45-K47 VanDerWaalsContact O-N 3.14Å; S45-E48 VanDerWaalsContact CB-OE2 3.23Å; S45-E48 WeakPolarHBondContact CB-OE2 3.3Å; S45-E48 PolarHBondContact N-OE2 3.37Å; S45-E48 PolarHBondContact O-N 3.03Å; S45-E48 VanDerWaalsContact OG-CD 3.28Å; S45-E48 WeakPolarHBondContact OG-CG 3.27Å; S45-E48 PolarHBondContact OG-OE2 3.02Å; S45-L49 WeakPolarHBondContact O-CG 3.44Å; S45-L49 PolarHBondContact O-N 3.08Å
46	E	79.4	Confident	82.8	Confident	78 Å²	78	61.6 Å²	61.6	36%	0.364	31%	0.314	S	S	.	.	H	α-helix	trans	-52.5	-38.7	-179.4	-166	-159.3	150.9	0	0	113	L49 K50 F73	E46-L49 PolarHBondContact O-N 2.84Å; E46-K50 HydrophobicContact CG-CD 4.46Å; E46-K50 WeakPolarHBondContact O-CB 3.28Å; E46-K50 WeakPolarHBondContact O-CG 3.4Å; E46-K50 PolarHBondContact O-N 3.46Å; E46-K50 WeakPolarHBondContact OE1-CE 3.06Å; E46-K50 IonicContact OE1-NZ 2.71Å; E46-K50 PolarHBondContact OE1-NZ 2.63Å; E46-F73 HydrophobicContact CG-CD1 3.65Å; E46-F73 HydrophobicContact CG-CE1 3.8Å
47	K	80.6	Confident	82.8	Confident	179 Å²	179	61.5 Å²	61.5	78%	0.778	31%	0.313	S	S	*	.	H	α-helix	trans	-68.6	-40.9	179.4	-63.5	-172.5	178.1	-172.8	0	112.4	S45 A51	S45-K47 PolarHBondContact O-N 3.29Å; S45-K47 VanDerWaalsContact O-N 3.14Å; K47-A51 WeakPolarHBondContact O-CB 3.3Å; K47-A51 PolarHBondContact O-N 2.86Å
48	E	83.6	Confident	82.8	Confident	99 Å²	99	64.4 Å²	64.4	46%	0.463	33%	0.329	S	S	.	.	H	α-helix	trans	-70.1	-36.9	175.2	-64.6	163.6	122.6	0	0	111.3	K44 S45 A51 L52	K44-E48 HydrophobicContact CB-CB 4.13Å; K44-E48 HydrophobicContact CD-CB 4.44Å; S45-E48 VanDerWaalsContact CB-OE2 3.23Å; S45-E48 WeakPolarHBondContact CB-OE2 3.3Å; S45-E48 PolarHBondContact N-OE2 3.37Å; S45-E48 PolarHBondContact O-N 3.03Å; S45-E48 VanDerWaalsContact OG-CD 3.28Å; S45-E48 WeakPolarHBondContact OG-CG 3.27Å; S45-E48 PolarHBondContact OG-OE2 3.02Å; E48-A51 PolarHBondContact O-N 3.35Å; E48-L52 WeakPolarHBondContact O-CB 3.45Å; E48-L52 WeakPolarHBondContact O-CD1 3.31Å; E48-L52 WeakPolarHBondContact O-CG 3.44Å; E48-L52 PolarHBondContact O-N 3.49Å
49	L	84.8	Confident	82.7	Confident	5 Å²	5	67.2 Å²	67.2	3%	0.026	34%	0.34	C	S	.	.	H	α-helix	trans	-68.7	-40	175.4	-68	177.3	0	0	0	111.8	K42 K44 S45 E46 L52 C53 F73	K42-L49 HydrophobicContact CB-CD2 4Å; K42-L49 WeakPolarHBondContact O-CD2 3.27Å; K44-L49 HydrophobicContact CB-CD2 3.88Å; K44-L49 HydrophobicContact CB-CG 3.97Å; S45-L49 WeakPolarHBondContact O-CG 3.44Å; S45-L49 PolarHBondContact O-N 3.08Å; E46-L49 PolarHBondContact O-N 2.84Å; L49-L52 PolarHBondContact O-N 2.81Å; L49-C53 VanDerWaalsContact O-CB 3.3Å; L49-C53 WeakPolarHBondContact O-CB 3.47Å; L49-C53 PolarHBondContact O-N 3.41Å; L49-C53 PolarHBondContact O-SG 3.46Å; L49-F73 HydrophobicContact CB-CE1 4.08Å; L49-F73 HydrophobicContact CB-CZ 3.73Å
50	K	83.9	Confident	82.6	Confident	53 Å²	53	71.6 Å²	71.6	23%	0.23	36%	0.359	C	S	.	.	H	α-helix	trans	-58.7	-49.9	170.6	-80.9	175.6	166.7	168.7	0	111	E46 L52 C53 I54 V69 F73	E46-K50 HydrophobicContact CG-CD 4.46Å; E46-K50 WeakPolarHBondContact O-CB 3.28Å; E46-K50 WeakPolarHBondContact O-CG 3.4Å; E46-K50 PolarHBondContact O-N 3.46Å; E46-K50 WeakPolarHBondContact OE1-CE 3.06Å; E46-K50 IonicContact OE1-NZ 2.71Å; E46-K50 PolarHBondContact OE1-NZ 2.63Å; K50-L52 PolarHBondContact O-N 3.24Å; K50-C53 PolarHBondContact O-N 3Å; K50-I54 WeakPolarHBondContact O-CG1 3.45Å; K50-I54 PolarHBondContact O-N 2.68Å; K50-V69 HydrophobicContact CB-CG1 4.38Å; K50-V69 HydrophobicContact CG-CG1 4.2Å; K50-F73 HydrophobicContact CD-CB 4.5Å; K50-F73 HydrophobicContact CD-CD1 4.16Å; K50-F73 HydrophobicContact CD-CG 4.18Å; K50-F73 HydrophobicContact CG-CD1 3.75Å; K50-F73 HydrophobicContact CG-CD2 3.8Å; K50-F73 HydrophobicContact CG-CE1 3.8Å; K50-F73 HydrophobicContact CG-CE2 3.84Å; K50-F73 HydrophobicContact CG-CG 3.75Å; K50-F73 HydrophobicContact CG-CZ 3.84Å
51	A	86.9	Confident	82.5	Confident	58 Å²	58	71.6 Å²	71.6	48%	0.479	36%	0.359	S	S	.	.	H	α-helix	trans	-59.1	-44.1	177.2	0	0	0	0	0	112.8	K47 E48 I54 D55	K47-A51 WeakPolarHBondContact O-CB 3.3Å; K47-A51 PolarHBondContact O-N 2.86Å; E48-A51 PolarHBondContact O-N 3.35Å; A51-I54 PolarHBondContact O-N 3.41Å; A51-D55 WeakPolarHBondContact O-CB 3.11Å; A51-D55 PolarHBondContact O-N 2.95Å
52	L	85.3	Confident	82.6	Confident	47 Å²	47	71.9 Å²	71.9	25%	0.246	36%	0.362	C	S	.	.	H	α-helix	trans	-72.8	-28.3	178.4	-70.8	162.4	0	0	0	113.5	K44 E48 L49 K50 Q56	K44-L52 HydrophobicContact CD-CD1 3.45Å; K44-L52 VanDerWaalsContact CD-CD1 3.45Å; K44-L52 VanDerWaalsContact NZ-CD1 3.33Å; E48-L52 WeakPolarHBondContact O-CB 3.45Å; E48-L52 WeakPolarHBondContact O-CD1 3.31Å; E48-L52 WeakPolarHBondContact O-CG 3.44Å; E48-L52 PolarHBondContact O-N 3.49Å; L49-L52 PolarHBondContact O-N 2.81Å; K50-L52 PolarHBondContact O-N 3.24Å; L52-Q56 WeakPolarHBondContact O-CB 3.19Å; L52-Q56 WeakPolarHBondContact O-CG 3.17Å; L52-Q56 PolarHBondContact O-N 2.85Å; L52-Q56 VanDerWaalsContact O-N 3.12Å
53	C	85.9	Confident	82.5	Confident	0 Å²	0	77 Å²	77	0%	0	38%	0.384	C	S	.	.	H	α-helix	trans	-75.7	-29.3	171.4	-65.8	0	0	0	0	111.3	L49 K50 L57 V69 F73	L49-C53 VanDerWaalsContact O-CB 3.3Å; L49-C53 WeakPolarHBondContact O-CB 3.47Å; L49-C53 PolarHBondContact O-N 3.41Å; L49-C53 PolarHBondContact O-SG 3.46Å; K50-C53 PolarHBondContact O-N 3Å; C53-L57 HydrophobicContact CB-CD1 4.29Å; C53-L57 WeakPolarHBondContact O-CB 3.44Å; C53-L57 VanDerWaalsContact O-CD1 3.25Å; C53-L57 WeakPolarHBondContact O-CD1 3.4Å; C53-L57 WeakPolarHBondContact O-CG 3.37Å; C53-L57 PolarHBondContact O-N 2.66Å; C53-V69 HydrophobicContact CB-CG1 3.97Å; C53-V69 HydrophobicContact CB-CG2 3.77Å; C53-F73 HydrophobicContact CB-CE2 4.4Å
54	I	88.3	Confident	82.9	Confident	52 Å²	52	75.7 Å²	75.7	27%	0.267	37%	0.374	S	S	.	.	H	α-helix	trans	-68.7	-62.2	170.5	-67.3	162.5	0	0	0	108.9	K50 A51 Q56 L57 D58 Q66 V69	K50-I54 WeakPolarHBondContact O-CG1 3.45Å; K50-I54 PolarHBondContact O-N 2.68Å; A51-I54 PolarHBondContact O-N 3.41Å; I54-Q56 VanDerWaalsContact C-N 3.32Å; I54-Q56 PolarHBondContact O-N 3.07Å; I54-L57 PolarHBondContact O-N 3.18Å; I54-L57 VanDerWaalsContact O-N 3.07Å; I54-D58 WeakPolarHBondContact O-CB 3.36Å; I54-D58 PolarHBondContact O-N 3.12Å; I54-Q66 HydrophobicContact CD1-CG 4.33Å; I54-Q66 HydrophobicContact CG1-CG 4.4Å; I54-Q66 HydrophobicContact CG2-CG 4.18Å; I54-V69 HydrophobicContact CG1-CB 4.1Å; I54-V69 HydrophobicContact CG1-CG1 4.11Å; I54-V69 HydrophobicContact CG1-CG2 4.12Å
55	D	86.6	Confident	83.2	Confident	99 Å²	99	71.2 Å²	71.2	53%	0.529	36%	0.355	S	S	.	.	H	α-helix	trans	-49.1	-46.1	-178.4	174.4	92.9	0	0	0	113.9	A51	A51-D55 WeakPolarHBondContact O-CB 3.11Å; A51-D55 PolarHBondContact O-N 2.95Å
56	Q	83.3	Confident	83.4	Confident	70 Å²	70	75.2 Å²	75.2	33%	0.327	37%	0.369	S	S	.	.	H	α-helix	trans	-87.5	-7.6	-175.8	-59.4	-74.8	-87.1	0	0	114.4	Y35 L39 L52 I54	Y35-Q56 HydrophobicContact CE1-CB 4.18Å; Y35-Q56 WeakPolarHBondContact OH-CB 3.32Å; Y35-Q56 PolarHBondContact OH-OE1 3.33Å; Y35-Q56 VanDerWaalsContact OH-OE1 3.08Å; L39-Q56 HydrophobicContact CD1-CB 3.92Å; L39-Q56 HydrophobicContact CD2-CB 4.5Å; L52-Q56 WeakPolarHBondContact O-CB 3.19Å; L52-Q56 WeakPolarHBondContact O-CG 3.17Å; L52-Q56 PolarHBondContact O-N 2.85Å; L52-Q56 VanDerWaalsContact O-N 3.12Å; I54-Q56 VanDerWaalsContact C-N 3.32Å; I54-Q56 PolarHBondContact O-N 3.07Å
57	L	84.9	Confident	83.6	Confident	0 Å²	0	75.4 Å²	75.4	0%	0	37%	0.372	C	S	.	.	H	α-helix	trans	-112.1	-11.8	175.5	-55.1	174.1	0	0	0	112.8	L32 Y35 V36 L39 C53 I54 V59 F60 L61 T65 F68 V69	L32-L57 HydrophobicContact CD2-CD2 4.2Å; Y35-L57 HydrophobicContact CD1-CD2 3.86Å; Y35-L57 HydrophobicContact CE1-CD2 3.99Å; V36-L57 HydrophobicContact CG2-CD1 3.79Å; V36-L57 HydrophobicContact CG2-CD2 3.8Å; V36-L57 HydrophobicContact CG2-CG 4.47Å; L39-L57 HydrophobicContact CD1-CD2 4.23Å; L39-L57 HydrophobicContact CD1-CG 4.22Å; C53-L57 HydrophobicContact CB-CD1 4.29Å; C53-L57 WeakPolarHBondContact O-CB 3.44Å; C53-L57 VanDerWaalsContact O-CD1 3.25Å; C53-L57 WeakPolarHBondContact O-CD1 3.4Å; C53-L57 WeakPolarHBondContact O-CG 3.37Å; C53-L57 PolarHBondContact O-N 2.66Å; I54-L57 PolarHBondContact O-N 3.18Å; I54-L57 VanDerWaalsContact O-N 3.07Å; L57-V59 PolarHBondContact O-N 2.88Å; L57-F60 CarbonylContact O-C 3.45Å; L57-F60 WeakPolarHBondContact O-CA 3.47Å; L57-F60 PolarHBondContact O-N 2.94Å; L57-L61 HydrophobicContact CB-CD1 4.2Å; L57-L61 PolarHBondContact O-N 3.09Å; L57-T65 HydrophobicContact CB-CG2 3.69Å; L57-F68 HydrophobicContact CD1-CD1 4.29Å; L57-F68 HydrophobicContact CD1-CE1 4.07Å; L57-V69 HydrophobicContact CD1-CG2 4.21Å
58	D	85.5	Confident	84	Confident	77 Å²	77	67 Å²	67	41%	0.412	34%	0.336	S	S	.	.	H	α-helix	trans	-60.1	-33.6	176.2	-158.2	49.1	0	0	0	111.8	I54 F60 Q62 T65	I54-D58 WeakPolarHBondContact O-CB 3.36Å; I54-D58 PolarHBondContact O-N 3.12Å; D58-F60 PolarHBondContact O-N 3.41Å; D58-Q62 WeakPolarHBondContact O-CA 3.43Å; D58-Q62 WeakPolarHBondContact O-CG 3.4Å; D58-Q62 PolarHBondContact O-N 3.06Å; D58-T65 WeakPolarHBondContact CA-OG1 3.36Å; D58-T65 PolarHBondContact OD1-OG1 2.9Å
59	V	83.9	Confident	84.2	Confident	112 Å²	112	62.4 Å²	62.4	68%	0.679	31%	0.314	S	S	*	.	H	α-helix	trans	-59	-27.8	171.6	-172.8	0	0	0	0	112.8	L57	L57-V59 PolarHBondContact O-N 2.88Å
60	F	80.3	Confident	84.3	Confident	95 Å²	95	68.1 Å²	68.1	42%	0.417	34%	0.341	S	S	.	.	H	α-helix	trans	-111.7	-27.1	-173.3	-61.6	-79.8	0	0	0	115	C25 L32 L57 D58	C25-F60 PolarHBondContact SG-O 3.46Å; C25-F60 VanDerWaalsContact SG-O 3.34Å; L32-F60 HydrophobicContact CD1-CB 3.49Å; L32-F60 VanDerWaalsContact CD1-CB 3.49Å; L32-F60 HydrophobicContact CD1-CD1 3.92Å; L32-F60 HydrophobicContact CD1-CD2 4.13Å; L32-F60 HydrophobicContact CD1-CG 3.59Å; L57-F60 CarbonylContact O-C 3.45Å; L57-F60 WeakPolarHBondContact O-CA 3.47Å; L57-F60 PolarHBondContact O-N 2.94Å; D58-F60 PolarHBondContact O-N 3.41Å
61	L	80.4	Confident	84.4	Confident	10 Å²	10	71.1 Å²	71.1	5%	0.052	35%	0.354	C	S	.	.	H	α-helix	trans	-123	-7.5	-174.3	-53.1	175.1	0	0	0	112.6	L21 I24 C25 L57 K63 E64 T65 F68	L21-L61 HydrophobicContact CD2-CD1 3.94Å; L21-L61 HydrophobicContact CD2-CD2 3.92Å; I24-L61 HydrophobicContact CB-CD2 4.41Å; I24-L61 HydrophobicContact CG2-CD2 3.92Å; C25-L61 HydrophobicContact CB-CD2 3.61Å; L57-L61 HydrophobicContact CB-CD1 4.2Å; L57-L61 PolarHBondContact O-N 3.09Å; L61-K63 PolarHBondContact O-N 2.96Å; L61-E64 PolarHBondContact O-N 3.03Å; L61-T65 VanDerWaalsContact C-OG1 3.24Å; L61-T65 WeakPolarHBondContact CB-OG1 3.22Å; L61-F68 HydrophobicContact CD1-CB 4.17Å; L61-F68 HydrophobicContact CD1-CD1 3.52Å; L61-F68 HydrophobicContact CD1-CE1 4.05Å; L61-F68 HydrophobicContact CD1-CG 3.83Å
62	Q	82.8	Confident	84.4	Confident	130 Å²	130	68.4 Å²	68.4	61%	0.607	33%	0.331	S	S	*	.	G	3₁₀ helix	trans	42.5	-120	175.9	-56.1	-178.7	9.1	0	0	112.8	D58 E64 T65	D58-Q62 WeakPolarHBondContact O-CA 3.43Å; D58-Q62 WeakPolarHBondContact O-CG 3.4Å; D58-Q62 PolarHBondContact O-N 3.06Å; Q62-E64 PolarHBondContact O-N 3.46Å; Q62-E64 VanDerWaalsContact O-N 3.08Å; Q62-T65 PolarHBondContact N-OG1 3Å; Q62-T65 VanDerWaalsContact N-OG1 3.15Å; Q62-T65 VanDerWaalsContact O-CB 3.27Å; Q62-T65 WeakPolarHBondContact O-CB 3.49Å; Q62-T65 PolarHBondContact O-N 2.64Å; Q62-T65 PolarHBondContact O-OG1 2.98Å
63	K	77.6	Confident	84.4	Confident	196 Å²	196	66.2 Å²	66.2	85%	0.852	32%	0.32	S	S	*	.	G	3₁₀ helix	trans	-62.5	-19.9	-175.4	-64.2	170.1	-175.2	166.1	0	114.1	L61	L61-K63 PolarHBondContact O-N 2.96Å
64	E	78.9	Confident	84.4	Confident	98 Å²	98	70.6 Å²	70.6	46%	0.458	34%	0.343	S	S	.	.	G	3₁₀ helix	trans	-90.9	-9.7	177.8	-61.1	-149.8	-165.5	0	0	113.4	I24 L61 Q62 Q66 I67 F68	I24-E64 HydrophobicContact CG2-CB 3.74Å; I24-E64 HydrophobicContact CG2-CG 4.34Å; L61-E64 PolarHBondContact O-N 3.03Å; Q62-E64 PolarHBondContact O-N 3.46Å; Q62-E64 VanDerWaalsContact O-N 3.08Å; E64-Q66 PolarHBondContact O-N 3.08Å; E64-I67 PolarHBondContact O-N 2.96Å; E64-F68 WeakPolarHBondContact O-CB 3.25Å; E64-F68 PolarHBondContact O-N 3.32Å
65	T	84.2	Confident	84.1	Confident	0 Å²	0	68.2 Å²	68.2	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-55.4	-46.6	-174.6	-50	0	0	0	0	113.5	L57 D58 L61 Q62 I67 F68 V69	L57-T65 HydrophobicContact CB-CG2 3.69Å; D58-T65 WeakPolarHBondContact CA-OG1 3.36Å; D58-T65 PolarHBondContact OD1-OG1 2.9Å; L61-T65 VanDerWaalsContact C-OG1 3.24Å; L61-T65 WeakPolarHBondContact CB-OG1 3.22Å; Q62-T65 PolarHBondContact N-OG1 3Å; Q62-T65 VanDerWaalsContact N-OG1 3.15Å; Q62-T65 VanDerWaalsContact O-CB 3.27Å; Q62-T65 WeakPolarHBondContact O-CB 3.49Å; Q62-T65 PolarHBondContact O-N 2.64Å; Q62-T65 PolarHBondContact O-OG1 2.98Å; T65-I67 PolarHBondContact O-N 3.1Å; T65-F68 PolarHBondContact O-N 3.16Å; T65-V69 HydrophobicContact CG2-CG2 4.25Å; T65-V69 WeakPolarHBondContact O-CB 3.23Å; T65-V69 VanDerWaalsContact O-CG2 3.3Å; T65-V69 WeakPolarHBondContact O-CG2 3.47Å; T65-V69 PolarHBondContact O-N 3.49Å
66	Q	83.8	Confident	84	Confident	121 Å²	121	63.9 Å²	63.9	57%	0.565	31%	0.308	S	S	*	.	H	α-helix	trans	-63.4	-45	-178	-62.6	-179.5	5.2	0	0	110.6	I54 E64 F68 V69 E70	I54-Q66 HydrophobicContact CD1-CG 4.33Å; I54-Q66 HydrophobicContact CG1-CG 4.4Å; I54-Q66 HydrophobicContact CG2-CG 4.18Å; E64-Q66 PolarHBondContact O-N 3.08Å; Q66-F68 VanDerWaalsContact C-N 3.34Å; Q66-F68 PolarHBondContact O-N 3.33Å; Q66-V69 PolarHBondContact O-N 3.23Å; Q66-E70 WeakPolarHBondContact O-CB 3.15Å; Q66-E70 WeakPolarHBondContact O-CG 3.3Å; Q66-E70 PolarHBondContact O-N 3.26Å
67	I	85.3	Confident	83.9	Confident	83 Å²	83	64.6 Å²	64.6	43%	0.426	31%	0.314	S	S	.	.	H	α-helix	trans	-63.9	-39.9	177.9	-56.5	172.8	0	0	0	110.7	E64 T65 K71	E64-I67 PolarHBondContact O-N 2.96Å; T65-I67 PolarHBondContact O-N 3.1Å; I67-K71 HydrophobicContact CG2-CD 4.13Å; I67-K71 VanDerWaalsContact CG2-CE 3.49Å; I67-K71 WeakPolarHBondContact O-CB 3.42Å; I67-K71 WeakPolarHBondContact O-CD 3.31Å; I67-K71 WeakPolarHBondContact O-CG 3.25Å; I67-K71 PolarHBondContact O-N 2.88Å; I67-K71 VanDerWaalsContact O-N 3.11Å
68	F	87.3	Confident	83.5	Confident	3 Å²	3	69.3 Å²	69.3	1%	0.013	34%	0.343	C	S	.	.	H	α-helix	trans	-66.5	-45.3	175.5	174.2	-98.9	0	0	0	112.1	L17 L21 I24 V36 L57 L61 E64 T65 Q66 K71 L72	L17-F68 HydrophobicContact CD2-CE2 4.47Å; L17-F68 HydrophobicContact CD2-CZ 3.67Å; L21-F68 HydrophobicContact CD1-CZ 4.21Å; L21-F68 HydrophobicContact CD2-CD1 4.49Å; L21-F68 HydrophobicContact CD2-CD2 4.08Å; L21-F68 HydrophobicContact CD2-CE1 3.96Å; L21-F68 HydrophobicContact CD2-CE2 3.49Å; L21-F68 VanDerWaalsContact CD2-CE2 3.49Å; L21-F68 HydrophobicContact CD2-CZ 3.41Å; L21-F68 VanDerWaalsContact CD2-CZ 3.41Å; L21-F68 HydrophobicContact CG-CE2 3.8Å; L21-F68 HydrophobicContact CG-CZ 3.78Å; I24-F68 HydrophobicContact CD1-CD2 4.32Å; V36-F68 HydrophobicContact CG2-CE1 4.42Å; L57-F68 HydrophobicContact CD1-CD1 4.29Å; L57-F68 HydrophobicContact CD1-CE1 4.07Å; L61-F68 HydrophobicContact CD1-CB 4.17Å; L61-F68 HydrophobicContact CD1-CD1 3.52Å; L61-F68 HydrophobicContact CD1-CE1 4.05Å; L61-F68 HydrophobicContact CD1-CG 3.83Å; E64-F68 WeakPolarHBondContact O-CB 3.25Å; E64-F68 PolarHBondContact O-N 3.32Å; T65-F68 PolarHBondContact O-N 3.16Å; Q66-F68 VanDerWaalsContact C-N 3.34Å; Q66-F68 PolarHBondContact O-N 3.33Å; F68-K71 PolarHBondContact O-N 2.93Å; F68-L72 HydrophobicContact CE1-CD2 4.26Å; F68-L72 VanDerWaalsContact O-CB 3.31Å; F68-L72 WeakPolarHBondContact O-CB 3.49Å; F68-L72 PolarHBondContact O-N 3.22Å
69	V	87.8	Confident	83.2	Confident	2 Å²	2	69.9 Å²	69.9	1%	0.012	34%	0.342	C	S	.	.	H	α-helix	trans	-67.2	-38.8	179.8	172.2	0	0	0	0	111.3	K50 C53 I54 L57 T65 Q66 L72 F73	K50-V69 HydrophobicContact CB-CG1 4.38Å; K50-V69 HydrophobicContact CG-CG1 4.2Å; C53-V69 HydrophobicContact CB-CG1 3.97Å; C53-V69 HydrophobicContact CB-CG2 3.77Å; I54-V69 HydrophobicContact CG1-CB 4.1Å; I54-V69 HydrophobicContact CG1-CG1 4.11Å; I54-V69 HydrophobicContact CG1-CG2 4.12Å; L57-V69 HydrophobicContact CD1-CG2 4.21Å; T65-V69 HydrophobicContact CG2-CG2 4.25Å; T65-V69 WeakPolarHBondContact O-CB 3.23Å; T65-V69 VanDerWaalsContact O-CG2 3.3Å; T65-V69 WeakPolarHBondContact O-CG2 3.47Å; T65-V69 PolarHBondContact O-N 3.49Å; Q66-V69 PolarHBondContact O-N 3.23Å; V69-L72 PolarHBondContact O-N 2.89Å; V69-F73 HydrophobicContact CG1-CD2 3.88Å; V69-F73 HydrophobicContact CG1-CE2 3.93Å; V69-F73 VanDerWaalsContact O-CD2 3.28Å; V69-F73 WeakPolarHBondContact O-CD2 3.36Å; V69-F73 PolarHBondContact O-N 2.9Å
70	E	87.6	Confident	82.5	Confident	125 Å²	125	67.9 Å²	67.9	58%	0.584	33%	0.333	S	S	*	.	H	α-helix	trans	-60.5	-52.3	172.1	-73.7	-179.3	163.3	0	0	111.2	Q66 L72 F73 D74	Q66-E70 WeakPolarHBondContact O-CB 3.15Å; Q66-E70 WeakPolarHBondContact O-CG 3.3Å; Q66-E70 PolarHBondContact O-N 3.26Å; E70-L72 VanDerWaalsContact C-N 3.29Å; E70-L72 PolarHBondContact O-N 3.27Å; E70-F73 PolarHBondContact O-N 3.48Å; E70-D74 WeakPolarHBondContact O-CB 3.37Å; E70-D74 PolarHBondContact O-N 3.15Å
71	K	86	Confident	82.2	Confident	115 Å²	115	63.9 Å²	63.9	50%	0.5	32%	0.315	S	S	.	.	H	α-helix	trans	-57.1	-38.8	175.7	-72.9	167.8	-176.4	168.7	0	113	I67 F68 A75	I67-K71 HydrophobicContact CG2-CD 4.13Å; I67-K71 VanDerWaalsContact CG2-CE 3.49Å; I67-K71 WeakPolarHBondContact O-CB 3.42Å; I67-K71 WeakPolarHBondContact O-CD 3.31Å; I67-K71 WeakPolarHBondContact O-CG 3.25Å; I67-K71 PolarHBondContact O-N 2.88Å; I67-K71 VanDerWaalsContact O-N 3.11Å; F68-K71 PolarHBondContact O-N 2.93Å; K71-A75 WeakPolarHBondContact O-CB 3.48Å; K71-A75 PolarHBondContact O-N 2.84Å
72	L	86.3	Confident	82	Confident	1 Å²	1	66.2 Å²	66.2	1%	0.005	33%	0.328	C	S	.	.	H	α-helix	trans	-64	-50.4	177.5	169.3	59.1	0	0	0	111.5	L13 W16 L17 V36 V40 F68 V69 E70 D74 A75 V76	L13-L72 HydrophobicContact CD1-CD1 4.25Å; W16-L72 HydrophobicContact CZ3-CB 4.36Å; W16-L72 HydrophobicContact CZ3-CD1 3.94Å; L17-L72 HydrophobicContact CD2-CD1 3.78Å; L17-L72 HydrophobicContact CD2-CD2 4.4Å; L17-L72 HydrophobicContact CG-CD1 4.46Å; V36-L72 HydrophobicContact CG1-CD2 3.47Å; V36-L72 VanDerWaalsContact CG1-CD2 3.47Å; V40-L72 HydrophobicContact CG2-CD2 4.24Å; F68-L72 HydrophobicContact CE1-CD2 4.26Å; F68-L72 VanDerWaalsContact O-CB 3.31Å; F68-L72 WeakPolarHBondContact O-CB 3.49Å; F68-L72 PolarHBondContact O-N 3.22Å; V69-L72 PolarHBondContact O-N 2.89Å; E70-L72 VanDerWaalsContact C-N 3.29Å; E70-L72 PolarHBondContact O-N 3.27Å; L72-D74 VanDerWaalsContact C-N 3.35Å; L72-A75 PolarHBondContact O-N 3.06Å; L72-V76 HydrophobicContact CD1-CG2 4.1Å; L72-V76 WeakPolarHBondContact O-CG2 3.45Å; L72-V76 PolarHBondContact O-N 2.87Å
73	F	85.5	Confident	81	Confident	1 Å²	1	65 Å²	65	0%	0.004	33%	0.331	C	S	.	.	H	α-helix	trans	-69	-36.4	-178.9	-84	-106.2	0	0	0	111.5	M5 E46 L49 K50 C53 V69 E70 V76 N77	M5-F73 HydrophobicContact CE-CB 4.33Å; M5-F73 HydrophobicContact CE-CD1 3.4Å; M5-F73 VanDerWaalsContact CE-CD1 3.4Å; M5-F73 HydrophobicContact CE-CE1 3.96Å; M5-F73 HydrophobicContact CE-CG 4.09Å; M5-F73 HydrophobicContact SD-CD1 3.92Å; M5-F73 HydrophobicContact SD-CE1 3.82Å; E46-F73 HydrophobicContact CG-CD1 3.65Å; E46-F73 HydrophobicContact CG-CE1 3.8Å; L49-F73 HydrophobicContact CB-CE1 4.08Å; L49-F73 HydrophobicContact CB-CZ 3.73Å; K50-F73 HydrophobicContact CD-CB 4.5Å; K50-F73 HydrophobicContact CD-CD1 4.16Å; K50-F73 HydrophobicContact CD-CG 4.18Å; K50-F73 HydrophobicContact CG-CD1 3.75Å; K50-F73 HydrophobicContact CG-CD2 3.8Å; K50-F73 HydrophobicContact CG-CE1 3.8Å; K50-F73 HydrophobicContact CG-CE2 3.84Å; K50-F73 HydrophobicContact CG-CG 3.75Å; K50-F73 HydrophobicContact CG-CZ 3.84Å; C53-F73 HydrophobicContact CB-CE2 4.4Å; V69-F73 HydrophobicContact CG1-CD2 3.88Å; V69-F73 HydrophobicContact CG1-CE2 3.93Å; V69-F73 VanDerWaalsContact O-CD2 3.28Å; V69-F73 WeakPolarHBondContact O-CD2 3.36Å; V69-F73 PolarHBondContact O-N 2.9Å; E70-F73 PolarHBondContact O-N 3.48Å; F73-V76 PolarHBondContact O-N 3.49Å; F73-N77 VanDerWaalsContact O-CB 3.23Å; F73-N77 WeakPolarHBondContact O-CB 3.49Å; F73-N77 PolarHBondContact O-N 3.02Å; F73-N77 PolarHBondContact O-ND2 3.04Å
74	D	85.4	Confident	79.8	Confident	92 Å²	92	61.1 Å²	61.1	49%	0.492	33%	0.325	S	S	.	.	H	α-helix	trans	-65	-40.7	172.3	-76.8	-2.1	0	0	0	111.8	E70 L72 V76 N77 T78	E70-D74 WeakPolarHBondContact O-CB 3.37Å; E70-D74 PolarHBondContact O-N 3.15Å; L72-D74 VanDerWaalsContact C-N 3.35Å; D74-V76 PolarHBondContact O-N 3.28Å; D74-N77 PolarHBondContact O-N 2.88Å; D74-T78 VanDerWaalsContact O-CB 3.32Å; D74-T78 WeakPolarHBondContact O-CB 3.33Å; D74-T78 WeakPolarHBondContact O-CG2 3.5Å; D74-T78 PolarHBondContact O-N 3.25Å; D74-T78 PolarHBondContact O-OG1 2.93Å
75	A	83.5	Confident	78	Confident	3 Å²	3	62.5 Å²	62.5	3%	0.025	34%	0.343	C	S	.	.	H	α-helix	trans	-64.7	-38.1	175.1	0	0	0	0	0	112.5	W16 K71 L72 K79 S80 Y81	W16-A75 HydrophobicContact CD2-CB 4.4Å; W16-A75 HydrophobicContact CH2-CB 3.6Å; W16-A75 HydrophobicContact CZ2-CB 3.38Å; W16-A75 HydrophobicContact CZ3-CB 4.18Å; K71-A75 WeakPolarHBondContact O-CB 3.48Å; K71-A75 PolarHBondContact O-N 2.84Å; L72-A75 PolarHBondContact O-N 3.06Å; A75-K79 CarbonylContact O-C 3.52Å; A75-K79 VanDerWaalsContact O-CA 3.22Å; A75-K79 WeakPolarHBondContact O-CA 3.49Å; A75-K79 PolarHBondContact O-N 2.92Å; A75-S80 WeakPolarHBondContact CA-OG 3.37Å; A75-S80 WeakPolarHBondContact CB-OG 3.46Å; A75-S80 PolarHBondContact O-N 3.47Å; A75-Y81 WeakPolarHBondContact O-CD1 3.3Å
76	V	83.7	Confident	75.9	Confident	7 Å²	7	71.7 Å²	71.7	4%	0.042	39%	0.386	C	S	.	.	H	α-helix	trans	-71.1	-41.1	175.6	178.1	0	0	0	0	111.3	M5 I7 L13 L72 F73 D74 K79	M5-V76 HydrophobicContact CE-CB 3.72Å; M5-V76 HydrophobicContact CE-CG1 3.6Å; M5-V76 HydrophobicContact CG-CG1 3.85Å; M5-V76 HydrophobicContact SD-CB 4.33Å; M5-V76 HydrophobicContact SD-CG1 3.78Å; I7-V76 HydrophobicContact CG1-CG1 4.28Å; L13-V76 HydrophobicContact CD1-CG2 3.8Å; L13-V76 HydrophobicContact CD2-CG2 3.86Å; L72-V76 HydrophobicContact CD1-CG2 4.1Å; L72-V76 WeakPolarHBondContact O-CG2 3.45Å; L72-V76 PolarHBondContact O-N 2.87Å; F73-V76 PolarHBondContact O-N 3.49Å; D74-V76 PolarHBondContact O-N 3.28Å; V76-K79 PolarHBondContact O-N 3.09Å
77	N	80.8	Confident	73.4	Confident	85 Å²	85	74.5 Å²	74.5	46%	0.455	40%	0.399	S	S	.	.	H	α-helix	trans	-67.9	-41.1	178.3	-73.9	-21.3	0	0	0	112.8	M5 F73 D74	M5-N77 VanDerWaalsContact CE-OD1 3.22Å; M5-N77 WeakPolarHBondContact CE-OD1 3.17Å; F73-N77 VanDerWaalsContact O-CB 3.23Å; F73-N77 WeakPolarHBondContact O-CB 3.49Å; F73-N77 PolarHBondContact O-N 3.02Å; F73-N77 PolarHBondContact O-ND2 3.04Å; D74-N77 PolarHBondContact O-N 2.88Å
78	T	78.3	Confident	71.1	Confident	99 Å²	99	77 Å²	77	61%	0.607	42%	0.42	S	S	*	.	H	α-helix	trans	-84.8	-8.8	176.9	60.6	0	0	0	0	113.6	D74 S80	D74-T78 VanDerWaalsContact O-CB 3.32Å; D74-T78 WeakPolarHBondContact O-CB 3.33Å; D74-T78 WeakPolarHBondContact O-CG2 3.5Å; D74-T78 PolarHBondContact O-N 3.25Å; D74-T78 PolarHBondContact O-OG1 2.93Å; T78-S80 PolarHBondContact O-N 3.25Å
79	K	77.2	Confident	68.4	Low	90 Å²	90	82.2 Å²	82.2	39%	0.391	46%	0.457	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.6	21.7	-173.9	-51.5	174.2	174.3	-166.2	0	114.5	E8 A75 V76 Y81 L82	E8-K79 IonicContact OE1-NZ 2.64Å; E8-K79 PolarHBondContact OE1-NZ 3.08Å; E8-K79 WeakPolarHBondContact OE2-CD 3.39Å; E8-K79 WeakPolarHBondContact OE2-CE 3.41Å; E8-K79 IonicContact OE2-NZ 2.73Å; E8-K79 PolarHBondContact OE2-NZ 3.33Å; A75-K79 CarbonylContact O-C 3.52Å; A75-K79 VanDerWaalsContact O-CA 3.22Å; A75-K79 WeakPolarHBondContact O-CA 3.49Å; A75-K79 PolarHBondContact O-N 2.92Å; V76-K79 PolarHBondContact O-N 3.09Å; K79-Y81 HydrophobicContact CB-CE1 4.38Å; K79-Y81 PolarHBondContact O-N 3.22Å; K79-L82 HydrophobicContact CB-CD1 4.23Å; K79-L82 WeakPolarHBondContact O-CB 3.29Å; K79-L82 PolarHBondContact O-N 2.86Å
80	S	70.8	Confident	65.8	Low	69 Å²	69	88.1 Å²	88.1	48%	0.483	50%	0.499	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-0.9	-176.6	73.6	0	0	0	0	115	A75 T78 L82	A75-S80 WeakPolarHBondContact CA-OG 3.37Å; A75-S80 WeakPolarHBondContact CB-OG 3.46Å; A75-S80 PolarHBondContact O-N 3.47Å; T78-S80 PolarHBondContact O-N 3.25Å; S80-L82 VanDerWaalsContact C-N 3.31Å
81	Y	73.8	Confident	63.1	Low	12 Å²	12	86.4 Å²	86.4	5%	0.047	51%	0.514	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-9.7	169	65.4	-90.2	0	0	0	113	E8 N9 A12 L13 A75 K79	E8-Y81 PolarHBondContact N-OH 2.93Å; N9-Y81 HydrophobicContact CB-CE2 4.34Å; N9-Y81 WeakPolarHBondContact O-CE2 3.4Å; A12-Y81 HydrophobicContact CB-CD2 3.98Å; L13-Y81 HydrophobicContact CB-CD2 3.82Å; L13-Y81 HydrophobicContact CB-CE2 4.09Å; L13-Y81 HydrophobicContact CB-CG 4.18Å; L13-Y81 HydrophobicContact CD1-CD1 4.02Å; L13-Y81 HydrophobicContact CD1-CD2 4.43Å; L13-Y81 HydrophobicContact CD1-CG 3.92Å; A75-Y81 WeakPolarHBondContact O-CD1 3.3Å; K79-Y81 HydrophobicContact CB-CE1 4.38Å; K79-Y81 PolarHBondContact O-N 3.22Å
82	L	74.9	Confident	60.3	Low	59 Å²	59	86.9 Å²	86.9	31%	0.309	53%	0.533	S	S	.	.	S	Bend	trans	-90	140.8	173.4	-60.4	178.6	0	0	0	110.9	N9 A12 K79 S80	N9-L82 HydrophobicContact CB-CD2 3.74Å; A12-L82 HydrophobicContact CB-CD2 4.08Å; K79-L82 HydrophobicContact CB-CD1 4.23Å; K79-L82 WeakPolarHBondContact O-CB 3.29Å; K79-L82 PolarHBondContact O-N 2.86Å; S80-L82 VanDerWaalsContact C-N 3.31Å
83	P	63.4	Low	57.6	Low	104 Å²	104	94.7 Å²	94.7	68%	0.675	57%	0.574	S	S	*	*	P	Polyproline II helix	trans	-66.4	142.7	170	29	-33.9	0	0	0	110.4
84	P	50.9	Low	54.9	Low	114 Å²	114	103.9 Å²	103.9	74%	0.74	61%	0.613	S	S	*	*	P	Polyproline II helix	trans	-59.5	140	174.9	-23.3	33.8	0	0	0	111.7	E86	P84-E86 PolarHBondContact O-N 3.11Å
85	P	42.4	Very low	52.1	Low	127 Å²	127	105.5 Å²	105.5	83%	0.825	63%	0.626	S	S	*	*			trans	-69.7	115.1	175.8	27.9	-33.1	0	0	0	110.3	Q87	P85-Q87 PolarHBondContact O-N 3.22Å
86	E	38.7	Very low	49.3	Very low	193 Å²	193	113.1 Å²	113.1	90%	0.902	66%	0.661	S	S	*	*			trans	-67.1	129.1	174	-64.4	-171	145.9	0	0	110.9	P84	P84-E86 PolarHBondContact O-N 3.11Å
87	Q	32.2	Very low	46.5	Very low	181 Å²	181	121.5 Å²	121.5	85%	0.846	70%	0.697	S	S	*	*			trans	-110.8	140.3	155.2	-80.4	-156.4	-7.7	0	0	110	P85	P85-Q87 PolarHBondContact O-N 3.22Å
88	P	36.5	Very low	43.8	Very low	134 Å²	134	127.1 Å²	127.1	87%	0.87	72%	0.718	S	S	*	*			trans	-75.8	138.2	-173.9	30.8	-35.1	0	0	0	111.5
89	S	30.9	Very low	41.4	Very low	113 Å²	113	127.7 Å²	127.7	79%	0.79	72%	0.724	S	S	*	*			trans	-128.1	135.3	162.9	66.2	0	0	0	0	110.9
90	S	33.2	Very low	38.9	Very low	127 Å²	127	131.3 Å²	131.3	89%	0.888	74%	0.742	S	S	*	*			trans	-155.5	113.3	168.3	-78.8	0	0	0	0	106
91	G	29.8	Very low	36.7	Very low	88 Å²	88	134.9 Å²	134.9	91%	0.907	75%	0.751	S	S	*	*			trans	-84.6	-177.5	-160.5	0	0	0	0	0	115.2
92	S	27.4	Very low	34.5	Very low	126 Å²	126	140.4 Å²	140.4	88%	0.881	78%	0.777	S	S	*	*			trans	-129	138.3	162.5	-172.8	0	0	0	0	108.8
93	L	31	Very low	32.3	Very low	165 Å²	165	145 Å²	145	86%	0.864	79%	0.794	S	S	*	*			trans	-100.8	128.5	-174.9	-72	168.3	0	0	0	111.4
94	K	29	Very low	30.6	Very low	193 Å²	193	146 Å²	146	84%	0.839	80%	0.795	S	S	*	*			trans	-165.3	106	140.9	-110.8	166.5	-176.7	-178.3	0	112.5
95	V	26.9	Very low	29.6	Very low	126 Å²	126	146.8 Å²	146.8	76%	0.764	79%	0.791	S	S	*	*				38.5	111.7	117.5	-178.1	0	0	0	0	114.2
96	E	24.5	Very low	28.9	Very low	163 Å²	163	148.8 Å²	148.8	76%	0.762	79%	0.787	S	S	*	*				-146.4	168	59	-76.6	-165.2	154.7	0	0	116.8
97	F	24.7	Very low	28.4	Very low	183 Å²	183	147 Å²	147	80%	0.803	78%	0.776	S	S	*	*			trans	31.3	119.7	154.7	-86.8	-90.9	0	0	0	122.2
98	F	22.6	Very low	28.1	Very low	203 Å²	203	144.8 Å²	144.8	89%	0.89	77%	0.766	S	S	*	*			trans	-114.4	142.9	148.3	-88.2	-82.8	0	0	0	110.6
99	P	29.5	Very low	27.5	Very low	112 Å²	112	145.4 Å²	145.4	73%	0.727	76%	0.757	S	S	*	*			trans	-117.5	139.1	137.2	34.7	-28.7	0	0	0	111.8
100	H	23.3	Very low	27.4	Very low	165 Å²	165	146.1 Å²	146.1	76%	0.764	75%	0.75	S	S	*	*			trans	26.5	133	156.2	-99.1	-35.5	0	0	0	123
101	Q	25.9	Very low	27	Very low	144 Å²	144	145.6 Å²	145.6	67%	0.673	74%	0.742	S	S	*	*			trans	72	153.2	144.6	-67.8	171.4	61.3	0	0	115.7
102	E	27	Very low	26.7	Very low	129 Å²	129	150.3 Å²	150.3	60%	0.603	74%	0.738	S	S	*	*			cis	-149.4	163.7	0.8	-132.9	-175.4	164.1	0	0	111.6
103	K	28.2	Very low	26.6	Very low	154 Å²	154	152.3 Å²	152.3	67%	0.67	73%	0.733	S	S	*	*			trans	31	128.1	147	-74	167.4	-173.8	154.3	0	123.2
104	D	27.3	Very low	26.3	Very low	127 Å²	127	152.6 Å²	152.6	68%	0.679	73%	0.73	S	S	*	*				80.1	119.2	124.5	-69.6	-40.4	0	0	0	124.7
105	I	30.2	Very low	26.3	Very low	129 Å²	129	149 Å²	149	66%	0.662	72%	0.716	S	S	*	*				89.2	110.7	123.3	-69.6	173.8	0	0	0	121.4
106	K	28.4	Very low	26.3	Very low	170 Å²	170	150.8 Å²	150.8	74%	0.739	71%	0.709	S	S	*	*			trans	74.4	128.7	142.2	-77.1	172.2	-165.7	166.8	0	123
107	K	27.7	Very low	26.4	Very low	154 Å²	154	148.2 Å²	148.2	67%	0.67	70%	0.697	S	S	*	*			trans	67.8	151.3	137.2	-64.1	179.3	155.7	-74.5	0	117.1
108	E	26.1	Very low	26.6	Very low	136 Å²	136	146.4 Å²	146.4	64%	0.636	69%	0.689	S	S	*	*			cis	-167.8	179.3	-15.6	-109.6	152.8	-170.3	0	0	106.7
109	E	24.8	Very low	26.8	Very low	147 Å²	147	145.4 Å²	145.4	69%	0.687	68%	0.684	S	S	*	*			cis	-154.3	-179.6	9.8	-141.7	-174.8	-123.7	0	0	111.5
110	I	27.4	Very low	26.5	Very low	127 Å²	127	149.1 Å²	149.1	65%	0.651	69%	0.689	S	S	*	*			trans	6.8	132.2	142.9	-75.8	170.8	0	0	0	118
111	T	24.6	Very low	26.5	Very low	117 Å²	117	145 Å²	145	72%	0.718	68%	0.679	S	S	*	*				-164.9	155.2	63.3	-21.7	0	0	0	0	115
112	K	25.1	Very low	26.5	Very low	186 Å²	186	147.4 Å²	147.4	81%	0.809	68%	0.682	S	S	*	*			trans	76.5	99.8	142.3	-95.4	177.5	-179.1	179.1	0	122.8
113	E	24	Very low	26.4	Very low	169 Å²	169	150.9 Å²	150.9	79%	0.79	69%	0.689	S	S	*	*				-17.2	159	110.1	-59.6	164.5	142	0	0	116.2
114	E	25.5	Very low	26.5	Very low	170 Å²	170	150.6 Å²	150.6	79%	0.794	70%	0.695	S	S	*	*			cis	-150.5	168.5	-5	-133.2	-165.9	131.9	0	0	104.2
115	E	28.8	Very low	26.5	Very low	119 Å²	119	149.9 Å²	149.9	56%	0.556	69%	0.69	S	S	*	*			cis	-179	-175.9	48.7	-161.5	-137.2	127.7	0	0	107.2
116	R	26.4	Very low	26.5	Very low	163 Å²	163	150.8 Å²	150.8	62%	0.615	69%	0.692	S	S	*	*			trans	85.5	80.8	139.6	-147.5	156.5	-151.2	87.6	35.2	122
117	E	27.2	Very low	26.8	Very low	109 Å²	109	146.9 Å²	146.9	51%	0.509	69%	0.686	S	S	.	*				71.3	129.2	118.9	-68.5	-169	138.9	0	0	123.6
118	K	29	Very low	28	Very low	145 Å²	145	145.1 Å²	145.1	63%	0.63	69%	0.69	S	S	*	*			trans	77.5	110.9	134	-69.1	164.5	-167.5	154.6	0	121.5
119	K	27.3	Very low	29.1	Very low	181 Å²	181	143.5 Å²	143.5	79%	0.787	69%	0.692	S	S	*	*				79.5	114.8	124.9	-70.3	-177.5	176.3	-177.8	0	120.6
120	F	21.8	Very low	29.3	Very low	191 Å²	191	142.5 Å²	142.5	84%	0.838	69%	0.687	S	S	*	*				49.9	107.4	127.5	-90	-97.2	0	0	0	119.1
121	S	24.2	Very low	29.3	Very low	77 Å²	77	140.5 Å²	140.5	54%	0.538	68%	0.684	S	S	.	*				170.1	130.7	96.5	-81.7	0	0	0	0	115.5
122	R	26.2	Very low	29.5	Very low	196 Å²	196	140 Å²	140	74%	0.74	69%	0.685	S	S	*	*			trans	61.5	126.9	132.9	-73.5	177.1	-101.1	-165.6	-8.8	122.1
123	R	24.2	Very low	29.6	Very low	201 Å²	201	135.5 Å²	135.5	76%	0.758	68%	0.677	S	S	*	*			trans	86.2	113.8	133.9	-71.1	167.7	-178.6	-171.7	-3	118.1
124	L	29.8	Very low	29.9	Very low	149 Å²	149	136.8 Å²	136.8	78%	0.78	68%	0.675	S	S	*	*				81.1	150.6	73.3	-102.2	167.8	0	0	0	114.7
125	N	27.8	Very low	29.9	Very low	111 Å²	111	137.6 Å²	137.6	59%	0.594	67%	0.672	S	S	*	*			trans	104.8	147.8	156.7	-62.9	-24.3	0	0	0	117.7
126	H	31.1	Very low	29.9	Very low	148 Å²	148	140.9 Å²	140.9	69%	0.685	68%	0.679	S	S	*	*			cis	-138.6	170.4	-4	-106.2	-27.4	0	0	0	109.2
127	S	33.2	Very low	29.9	Very low	88 Å²	88	138.3 Å²	138.3	62%	0.615	67%	0.674	S	S	*	*			cis	70	166.9	32.3	-24.5	0	0	0	0	114.4
128	P	54	Low	29.9	Very low	118 Å²	118	137.6 Å²	137.6	77%	0.766	67%	0.674	S	S	*	*			cis	-78.2	-144.7	-16.2	41.4	-39.2	0	0	0	109
129	P	49.4	Very low	29.9	Very low	102 Å²	102	137.4 Å²	137.4	66%	0.662	67%	0.669	S	S	*	*			cis	-121.6	-165.8	-21.7	43.8	-27.8	0	0	0	111.2
130	Q	29.2	Very low	30.1	Very low	126 Å²	126	131.1 Å²	131.1	59%	0.589	65%	0.648	S	S	*	*			cis	-108.4	-137.5	-7.2	-68.6	-170.1	-103.8	0	0	109.3	N265	Q130-N265 VanDerWaalsContact CA-ND2 3.33Å; Q130-N265 WeakPolarHBondContact CA-ND2 3.37Å; Q130-N265 WeakPolarHBondContact CB-OD1 3.49Å; Q130-N265 WeakPolarHBondContact CG-OD1 3.49Å; Q130-N265 PolarHBondContact NE2-OD1 3.5Å
131	S	26.6	Very low	30.7	Very low	85 Å²	85	129.8 Å²	129.8	59%	0.594	64%	0.637	S	S	*	*			cis	-155.2	174	2.4	-153.6	0	0	0	0	113.2	N265	S131-N265 VanDerWaalsContact CA-ND2 3.26Å; S131-N265 WeakPolarHBondContact CA-ND2 3.28Å; S131-N265 PolarHBondContact N-ND2 3.49Å
132	S	28	Very low	31.3	Very low	105 Å²	105	130.5 Å²	130.5	73%	0.734	64%	0.635	S	S	*	*			trans	-66.2	156.3	175.2	48.4	0	0	0	0	113.7
133	S	28.3	Very low	31.7	Very low	92 Å²	92	126.2 Å²	126.2	64%	0.643	62%	0.624	S	S	*	*			cis	-172.1	140.5	-10.9	174.7	0	0	0	0	111.8
134	R	29.2	Very low	32.5	Very low	197 Å²	197	125.3 Å²	125.3	74%	0.743	62%	0.62	S	S	*	*			trans	58.6	134.5	153.2	-69	170.4	-176.8	178.4	0.8	123.9
135	Y	27.4	Very low	32.8	Very low	187 Å²	187	126.5 Å²	126.5	73%	0.733	62%	0.619	S	S	*	*			trans	67.1	126.8	151.4	-95.5	-133.1	0	0	0	120
136	R	27.2	Very low	33.2	Very low	187 Å²	187	128.7 Å²	128.7	71%	0.706	62%	0.623	S	S	*	*				83.5	141.8	58.1	-88.2	-164.9	-178.7	176.2	-0.5	113.6
137	E	26.1	Very low	33.3	Very low	110 Å²	110	127 Å²	127	51%	0.514	62%	0.619	S	S	.	*			cis	-163.9	-172.1	-1.8	-173.3	44.9	-112.6	0	0	111.1	R139	E137-R139 IonicContact OE1-CZ 3.45Å; E137-R139 IonicContact OE1-NH1 3.08Å; E137-R139 PolarHBondContact OE1-NH1 2.98Å; E137-R139 IonicContact OE1-NH2 3.47Å; E137-R139 PolarHBondContact OE1-NH2 2.86Å
138	N	27.9	Very low	33.3	Very low	93 Å²	93	128.2 Å²	128.2	50%	0.497	62%	0.619	S	S	.	*			trans	-100.3	-154.5	-175.7	-62.1	-110.9	0	0	0	113.3
139	R	30.2	Very low	32.3	Very low	141 Å²	141	132.4 Å²	132.4	53%	0.532	62%	0.62	S	S	.	*			cis	-172.5	167.1	9.1	-144.8	166.8	-83.3	102.5	-0.2	110.9	E137 S283 Y284	E137-R139 IonicContact OE1-CZ 3.45Å; E137-R139 IonicContact OE1-NH1 3.08Å; E137-R139 PolarHBondContact OE1-NH1 2.98Å; E137-R139 IonicContact OE1-NH2 3.47Å; E137-R139 PolarHBondContact OE1-NH2 2.86Å; R139-S283 CarbonylContact O-C 3.55Å; R139-S283 WeakPolarHBondContact O-CA 3.47Å; R139-S283 PolarHBondContact O-N 2.92Å; R139-S283 VanDerWaalsContact O-N 3.13Å; R139-Y284 PolarHBondContact O-N 3.46Å
140	S	30.7	Very low	31.4	Very low	49 Å²	49	132.6 Å²	132.6	34%	0.343	62%	0.623	S	S	.	*			trans	114.2	155.3	145.5	-156.5	0	0	0	0	124	S283 Y284 V285	S140-S283 CarbonylContact O-C 3.45Å; S140-S283 WeakPolarHBondContact O-CA 3.45Å; S140-S283 WeakPolarHBondContact O-CB 3.23Å; S140-Y284 VanDerWaalsContact C-C 3.46Å; S140-Y284 VanDerWaalsContact N-N 3.18Å; S140-Y284 PolarHBondContact N-O 2.96Å; S140-Y284 CarbonylContact O-C 3.06Å; S140-Y284 WeakPolarHBondContact O-CA 3.36Å; S140-Y284 PolarHBondContact O-N 3.27Å; S140-V285 PolarHBondContact O-N 3.25Å
141	R	34.9	Very low	31.8	Very low	163 Å²	163	138 Å²	138	62%	0.615	64%	0.638	S	S	*	*			trans	-63.6	170.4	-163	77.2	-174.3	-53.7	-174.3	2.7	118.9	S283 V285	R141-S283 WeakPolarHBondContact O-CB 3.23Å; R141-V285 HydrophobicContact CB-CG1 4.2Å; R141-V285 HydrophobicContact CB-CG2 4.48Å
142	D	35.9	Very low	32	Very low	92 Å²	92	141.6 Å²	141.6	49%	0.492	64%	0.643	S	S	.	*			cis	-167.4	-165.9	2.6	-128.8	-38.7	0	0	0	109.2
143	E	35.6	Very low	32.3	Very low	107 Å²	107	146 Å²	146	50%	0.5	64%	0.643	S	S	.	*			cis	-159.2	141.7	-0.8	-124.9	-147.4	-142.4	0	0	113.2
144	R	39	Very low	32.5	Very low	182 Å²	182	145.7 Å²	145.7	69%	0.687	64%	0.635	S	S	*	*			trans	44.2	133.7	138.3	-70.5	-162.6	-153.1	116.8	11.3	127.7
145	K	37.4	Very low	32.5	Very low	174 Å²	174	145.9 Å²	145.9	76%	0.757	64%	0.637	S	S	*	*				95.1	145.2	112.5	176.4	-179.9	175.8	-177.3	0	125.3
146	K	36.3	Very low	32.8	Very low	156 Å²	156	142.7 Å²	142.7	68%	0.678	63%	0.632	S	S	*	*			trans	97.8	131	150.5	-105.7	-179.3	168.1	-76.2	0	122.6
147	D	32.7	Very low	33	Very low	112 Å²	112	144 Å²	144	60%	0.599	64%	0.637	S	S	*	*			trans	36.9	155.6	134.2	-60.1	-13.6	0	0	0	122.5
148	D	32.6	Very low	33.4	Very low	114 Å²	114	145.6 Å²	145.6	61%	0.61	65%	0.65	S	S	*	*			cis	-147.4	-165.7	5.4	-142.7	-57.1	0	0	0	112.8
149	R	34.5	Very low	34.7	Very low	207 Å²	207	145 Å²	145	78%	0.781	65%	0.65	S	S	*	*			trans	-82.7	162.6	-169.4	-58.4	149.2	177	84.6	-0.1	115.5
150	S	30.2	Very low	35.9	Very low	105 Å²	105	143.5 Å²	143.5	73%	0.734	66%	0.659	S	S	*	*				128.1	116.1	117.5	-165	0	0	0	0	117.9
151	R	37	Very low	36.2	Very low	239 Å²	239	151.5 Å²	151.5	90%	0.902	68%	0.682	S	S	*	*			trans	175.2	105.5	143.3	-92.7	149.2	-174.1	159.3	0.9	105.5
152	K	30.1	Very low	36.1	Very low	161 Å²	161	153.1 Å²	153.1	70%	0.7	69%	0.688	S	S	*	*				67.5	95.6	65.9	-163	-174.8	179.7	-165.8	0	110.2
153	R	35.7	Very low	35.7	Very low	198 Å²	198	153.6 Å²	153.6	75%	0.747	69%	0.691	S	S	*	*				77.9	143.8	91.3	-119.2	-161.5	-84.3	164.6	-12.8	110.9
154	D	31.9	Very low	35.5	Very low	86 Å²	86	153.4 Å²	153.4	46%	0.46	70%	0.701	S	S	.	*			cis	-163.1	150	44.9	-104	-57.7	0	0	0	113.2
155	Y	29.6	Very low	35.2	Very low	201 Å²	201	154.5 Å²	154.5	79%	0.788	71%	0.707	S	S	*	*			trans	61.5	157.3	159.7	-65.8	-61	0	0	0	120.5
156	D	32.8	Very low	35.1	Very low	119 Å²	119	157.5 Å²	157.5	64%	0.636	71%	0.713	S	S	*	*			cis	-150.8	166.3	30.3	-151.6	-1.3	0	0	0	117.5
157	R	31.8	Very low	34.9	Very low	215 Å²	215	157.9 Å²	157.9	81%	0.811	72%	0.722	S	S	*	*			trans	61.2	101.9	158.6	-82.2	164.9	176.3	145.4	-0.3	124.3
158	N	35.2	Very low	34.8	Very low	144 Å²	144	163.6 Å²	163.6	77%	0.77	74%	0.736	S	S	*	*			trans	-92.1	-165	137.2	-128.5	44.7	0	0	0	108.6
159	P	55.5	Low	34.7	Very low	79 Å²	79	168.7 Å²	168.7	51%	0.513	75%	0.748	S	S	.	*			cis	-99.4	-139.9	2	45.8	-36.8	0	0	0	111	R161	P159-R161 HydrophobicContact CB-CG 4.3Å
160	P	54.7	Low	34.6	Very low	111 Å²	111	166.1 Å²	166.1	72%	0.721	75%	0.75	S	S	*	*			cis	-73.4	-176.5	5.6	-19.7	36.5	0	0	0	116.1
161	R	36.4	Very low	34.7	Very low	217 Å²	217	172.9 Å²	172.9	82%	0.819	76%	0.759	S	S	*	*			cis	88.7	139.2	-4.2	-62.5	-176.3	-178.8	158.6	3.3	119.6	P159	P159-R161 HydrophobicContact CB-CG 4.3Å
162	R	32.5	Very low	34.5	Very low	196 Å²	196	173.3 Å²	173.3	74%	0.74	76%	0.761	S	S	*	*			cis	-129	173.3	8.7	-116.1	179.6	-177.8	-116.9	10.8	109.6
163	D	29.4	Very low	34.6	Very low	103 Å²	103	177.7 Å²	177.7	55%	0.551	77%	0.773	S	S	*	*			cis	-146.5	177.5	10.4	-143.3	-22.4	0	0	0	113.9
164	S	30.8	Very low	34.3	Very low	102 Å²	102	171.9 Å²	171.9	71%	0.713	77%	0.774	S	S	*	*			trans	-151.8	130.3	178.5	61.1	0	0	0	0	112
165	Y	32.6	Very low	34.1	Very low	206 Å²	206	179 Å²	179	81%	0.808	80%	0.795	S	S	*	*			trans	-137.1	141.4	175	-104.6	-98.9	0	0	0	112.4
166	R	34.2	Very low	34.1	Very low	237 Å²	237	174.2 Å²	174.2	89%	0.894	79%	0.791	S	S	*	*	S	Bend	trans	58.8	115.4	-168.2	-57.8	177.3	175.9	169.2	-2.4	111.8
167	D	33.7	Very low	34	Very low	163 Å²	163	179.7 Å²	179.7	87%	0.872	80%	0.803	S	S	*	*			cis	-131.9	134.8	30	-87.3	-51	0	0	0	115.2
168	R	30.1	Very low	33.9	Very low	232 Å²	232	175.1 Å²	175.1	88%	0.875	80%	0.804	S	S	*	*			trans	-157.1	70.3	164.3	-168.3	-162.4	-80.4	-174.5	-6	112.4
169	Y	29.7	Very low	33.4	Very low	222 Å²	222	177.7 Å²	177.7	87%	0.871	80%	0.804	S	S	*	*			trans	-134.4	161.2	158.4	-100.2	-89.5	0	0	0	111.9
170	N	33.6	Very low	32.1	Very low	153 Å²	153	178.9 Å²	178.9	82%	0.818	82%	0.815	S	S	*	*			trans	65.5	64.2	168.4	-60.6	-16.4	0	0	0	118.8
171	R	32.7	Very low	30.8	Very low	247 Å²	247	183.6 Å²	183.6	93%	0.932	82%	0.818	S	S	*	*			trans	-145.8	86.5	141.6	-158.3	-175.1	-64.7	-173.7	2.3	112.4
172	R	31.5	Very low	30.3	Very low	248 Å²	248	178.8 Å²	178.8	94%	0.936	82%	0.818	S	S	*	*			trans	-144.5	57.7	-177.9	-150.8	179.6	-159.5	-120.6	3.5	117
173	R	32.8	Very low	30.1	Very low	252 Å²	252	180.6 Å²	180.6	95%	0.951	82%	0.824	S	S	*	*			trans	-159.5	135.7	153.8	-102.6	179.9	-175.7	-176.1	2.3	108.6
174	G	28.8	Very low	29.9	Very low	76 Å²	76	179.8 Å²	179.8	78%	0.784	83%	0.827	S	S	*	*			cis	131.4	71	-19.9	0	0	0	0	0	116.2
175	R	29.1	Very low	29.7	Very low	235 Å²	235	185.9 Å²	185.9	89%	0.887	83%	0.834	S	S	*	*			trans	-163.8	156.9	147.4	-122.1	170.8	-179.7	157.5	1.4	113
176	S	29.1	Very low	29.5	Very low	102 Å²	102	180.7 Å²	180.7	71%	0.713	83%	0.828	S	S	*	*			trans	-106.7	160.6	-179.4	50	0	0	0	0	111.9
177	R	29.6	Very low	29	Very low	233 Å²	233	180.8 Å²	180.8	88%	0.879	83%	0.829	S	S	*	*			trans	-174	150.7	144.3	-103.3	150.2	-173.3	156.7	-0.5	111.7
178	S	29.5	Very low	28.8	Very low	120 Å²	120	177.2 Å²	177.2	84%	0.839	82%	0.816	S	S	*	*			trans	-114.5	137.2	177.2	-47.1	0	0	0	0	109.2
179	Y	25.7	Very low	28.7	Very low	197 Å²	197	173.6 Å²	173.6	77%	0.773	81%	0.807	S	S	*	*			trans	-152.1	147.8	156.4	-162.5	-113.2	0	0	0	111.2	R181	Y179-R181 HydrophobicContact CE1-CB 4.13Å
180	S	28.8	Very low	28.7	Very low	105 Å²	105	169.8 Å²	169.8	73%	0.734	80%	0.797	S	S	*	*			trans	-95.7	-162.1	-179.1	-58.8	0	0	0	0	111
181	R	27.1	Very low	28.4	Very low	210 Å²	210	173.2 Å²	173.2	79%	0.792	80%	0.798	S	S	*	*			trans	100.2	115.8	157	-148.2	175.8	-162.3	101.6	0.1	115.9	Y179	Y179-R181 HydrophobicContact CE1-CB 4.13Å
182	S	26.3	Very low	28.1	Very low	116 Å²	116	168.2 Å²	168.2	81%	0.811	79%	0.789	S	S	*	*			trans	-67.4	161.5	169.5	-31.4	0	0	0	0	111.9
183	R	26.3	Very low	27.9	Very low	233 Å²	233	164.6 Å²	164.6	88%	0.879	78%	0.776	S	S	*	*				169.7	108.1	122.3	-173	169.3	-168.4	106.5	-10.2	113.3
184	S	25.4	Very low	27.5	Very low	86 Å²	86	161.8 Å²	161.8	60%	0.601	77%	0.773	S	S	*	*			trans	48.7	132.8	135.7	-51.2	0	0	0	0	123.6
185	R	27.1	Very low	27.5	Very low	231 Å²	231	165.8 Å²	165.8	87%	0.872	77%	0.765	S	S	*	*			trans	73.7	152.6	140.9	-69.2	166.3	-171.3	160.7	-0.2	117.3
186	S	28.2	Very low	27.6	Very low	96 Å²	96	161.2 Å²	161.2	67%	0.671	76%	0.758	S	S	*	*			cis	-173.6	165	-15.7	47.7	0	0	0	0	111.6
187	W	24.5	Very low	27.7	Very low	240 Å²	240	166.3 Å²	166.3	91%	0.909	76%	0.762	S	S	*	*			trans	71.5	138.2	161.4	-126.2	-112.1	0	0	0	115
188	S	29.9	Very low	27.6	Very low	87 Å²	87	160 Å²	160	61%	0.608	75%	0.745	S	S	*	*			cis	-142.4	-141.3	-15.8	46.2	0	0	0	0	106.7
189	K	27.8	Very low	27.5	Very low	156 Å²	156	163.7 Å²	163.7	68%	0.678	74%	0.741	S	S	*	*			cis	-161	151.9	-8.3	-133	-169.6	-172	-116.5	0	103.4
190	E	28	Very low	27.6	Very low	142 Å²	142	159.5 Å²	159.5	66%	0.664	74%	0.74	S	S	*	*			cis	-146.8	-172.6	-7.3	-148.2	136.8	-124	0	0	104.4
191	R	28.6	Very low	27.7	Very low	226 Å²	226	163.9 Å²	163.9	85%	0.853	74%	0.741	S	S	*	*			cis	-130.1	170	9.8	-66.5	179.3	169.7	169.5	-2.9	111.7
192	L	26.2	Very low	27.7	Very low	142 Å²	142	159 Å²	159	74%	0.743	74%	0.735	S	S	*	*			trans	-141.4	165.5	174	-67.4	171.1	0	0	0	105.8
193	R	26.5	Very low	27.7	Very low	171 Å²	171	163.2 Å²	163.2	65%	0.645	73%	0.733	S	S	*	*			cis	-167.4	138.7	9.7	-141.8	174.2	-145.9	141	2.3	110.4
194	E	25.9	Very low	27.6	Very low	193 Å²	193	156.8 Å²	156.8	90%	0.902	72%	0.723	S	S	*	*			trans	-158.5	133.1	138.6	-71.8	-152.9	135	0	0	105.7
195	R	28.7	Very low	27.7	Very low	161 Å²	161	164.2 Å²	164.2	61%	0.608	74%	0.738	S	S	*	*			cis	88.6	81.5	9.1	-165	176	-87	178.8	-8.3	118
196	D	31.1	Very low	27.7	Very low	138 Å²	138	158.2 Å²	158.2	74%	0.738	73%	0.732	S	S	*	*				24.2	132.7	127.1	-34.7	-69.4	0	0	0	120.1
197	R	30	Very low	27.7	Very low	210 Å²	210	164.1 Å²	164.1	79%	0.792	74%	0.739	S	S	*	*				-175.6	147	104.9	-104.1	-166	179.8	100.7	-2.7	119
198	D	28.2	Very low	27.9	Very low	99 Å²	99	158.8 Å²	158.8	53%	0.529	73%	0.734	S	S	.	*			trans	46.7	132.2	138.3	-80.5	-74.4	0	0	0	125.7
199	R	27.6	Very low	27.9	Very low	198 Å²	198	165.8 Å²	165.8	75%	0.747	75%	0.747	S	S	*	*			trans	59.3	106	133.9	-70.6	170	162.6	109.7	-14.8	122.7
200	S	28.3	Very low	27.9	Very low	110 Å²	110	163 Å²	163	77%	0.769	75%	0.746	S	S	*	*				46.1	126.2	109.1	-54.1	0	0	0	0	123.4
201	R	28.9	Very low	28.2	Very low	197 Å²	197	167.2 Å²	167.2	74%	0.743	76%	0.756	S	S	*	*			trans	97.5	105.4	144.8	-76.8	-172.1	169.4	148.2	-2.5	121.9
202	T	27.4	Very low	28.2	Very low	108 Å²	108	163.4 Å²	163.4	66%	0.663	75%	0.748	S	S	*	*				80.4	134.8	124.8	59.1	0	0	0	0	123.6
203	R	26	Very low	28.5	Very low	204 Å²	204	165.9 Å²	165.9	77%	0.77	75%	0.748	S	S	*	*			trans	86.1	140	143.3	-145.8	171.1	-160.6	174.8	3.5	117.3
204	S	24.8	Very low	28.7	Very low	98 Å²	98	164.1 Å²	164.1	69%	0.685	75%	0.751	S	S	*	*			cis	-174.7	163.7	-32.4	-89.1	0	0	0	0	109.1
205	R	27.3	Very low	29	Very low	241 Å²	241	162.7 Å²	162.7	91%	0.909	75%	0.749	S	S	*	*			trans	72.6	140.3	167.2	-69.6	175.3	172.5	151.2	-3.5	115.5
206	S	27.7	Very low	28.9	Very low	106 Å²	106	161.8 Å²	161.8	74%	0.741	76%	0.761	S	S	*	*			cis	-151.9	-149.5	-8.6	-82.6	0	0	0	0	107.6
207	R	28.2	Very low	29.1	Very low	220 Å²	220	164.7 Å²	164.7	83%	0.83	77%	0.767	S	S	*	*			cis	-166.4	132.8	7.2	-164.2	-176.2	-174.3	169.9	1.3	111
208	T	28.6	Very low	29.8	Very low	128 Å²	128	160.5 Å²	160.5	79%	0.785	77%	0.767	S	S	*	*			trans	61.1	148.7	160.6	41.2	0	0	0	0	119.2
209	R	29.3	Very low	29.9	Very low	234 Å²	234	164.6 Å²	164.6	88%	0.883	78%	0.78	S	S	*	*			cis	-124.7	-173.8	4	-105.1	175.1	-173	165.1	1.5	108.8
210	S	28.6	Very low	30	Very low	96 Å²	96	165.4 Å²	165.4	67%	0.671	79%	0.785	S	S	*	*			cis	-133.5	-169.3	-0.2	-100.1	0	0	0	0	107.7
211	R	35	Very low	29.9	Very low	231 Å²	231	165.6 Å²	165.6	87%	0.872	78%	0.777	S	S	*	*			cis	83.1	119.9	18.5	-63.1	-170.5	173.7	174.7	-2.8	116.2
212	E	27.1	Very low	29.9	Very low	147 Å²	147	163 Å²	163	69%	0.687	78%	0.777	S	S	*	*			cis	-138.7	167.9	19.6	-76.6	-159.5	97.8	0	0	112.9
213	R	32.5	Very low	30	Very low	194 Å²	194	163 Å²	163	73%	0.732	77%	0.773	S	S	*	*			cis	-164.2	129.5	-21.3	175.3	-168.8	-66.3	-136.4	10.5	111.1
214	D	30.6	Very low	30.4	Very low	133 Å²	133	162.4 Å²	162.4	71%	0.711	77%	0.77	S	S	*	*			trans	29.2	118.4	148.8	-45.5	-38.7	0	0	0	125.8
215	L	33.1	Very low	30.7	Very low	164 Å²	164	162.7 Å²	162.7	86%	0.859	77%	0.768	S	S	*	*				32.5	126.7	117.2	-58.4	169.4	0	0	0	122.9
216	V	27.3	Very low	30.9	Very low	141 Å²	141	157.8 Å²	157.8	86%	0.855	76%	0.76	S	S	*	*			trans	-146.5	144.5	141.4	179.1	0	0	0	0	111.7
217	K	35.7	Very low	31.9	Very low	200 Å²	200	157.4 Å²	157.4	87%	0.87	76%	0.755	S	S	*	*			trans	-127.2	146.3	156.9	-105.8	-173	177.2	-175.8	0	106.1
218	P	44.8	Very low	32.3	Very low	122 Å²	122	153.7 Å²	153.7	79%	0.792	75%	0.751	S	S	*	*				-158	-164.6	93	42.7	-22.1	0	0	0	116.4
219	K	29.6	Very low	32.3	Very low	184 Å²	184	155.2 Å²	155.2	80%	0.8	75%	0.749	S	S	*	*			trans	-55	159.8	177.1	-50.8	174	173.2	-173.3	0	116
220	Y	28.7	Very low	32.3	Very low	216 Å²	216	148.4 Å²	148.4	85%	0.847	73%	0.73	S	S	*	*				-178.3	165.3	112.3	-112.4	-101.9	0	0	0	107.3
221	D	26.6	Very low	32.3	Very low	113 Å²	113	149.5 Å²	149.5	60%	0.604	73%	0.729	S	S	*	*			cis	-167.5	168.9	-49.6	-159.7	-0.3	0	0	0	108.3
222	L	29.9	Very low	31.9	Very low	144 Å²	144	148.4 Å²	148.4	75%	0.754	73%	0.726	S	S	*	*			trans	62.1	154.1	164	-65.6	165	0	0	0	118.6
223	D	29.1	Very low	32.4	Very low	106 Å²	106	147.5 Å²	147.5	57%	0.567	73%	0.73	S	S	*	*			cis	-157.1	168	-26.2	-165.5	12.7	0	0	0	108.3
224	R	33.8	Very low	32.9	Very low	192 Å²	192	143.1 Å²	143.1	73%	0.725	73%	0.727	S	S	*	*			trans	39.9	150.7	151.4	-84.4	176.7	165.8	87.9	1.8	122.7
225	T	31.8	Very low	32.7	Very low	104 Å²	104	143.7 Å²	143.7	64%	0.638	74%	0.735	S	S	*	*			cis	-155.9	134.5	10	2.3	0	0	0	0	110.1
226	D	31.5	Very low	32.5	Very low	139 Å²	139	140.6 Å²	140.6	74%	0.743	73%	0.728	S	S	*	*				37.1	158.7	113.5	-70.3	-17.5	0	0	0	123.1
227	P	47.6	Very low	32.7	Very low	98 Å²	98	139.6 Å²	139.6	64%	0.636	73%	0.726	S	S	*	*			cis	-151.4	-173.4	-32.7	42.8	-24.9	0	0	0	116.1
228	L	37.3	Very low	32.3	Very low	141 Å²	141	136.6 Å²	136.6	74%	0.738	73%	0.725	S	S	*	*			trans	67.3	147.5	153.4	-98.7	65.1	0	0	0	117.1
229	E	28.9	Very low	32.4	Very low	161 Å²	161	136.7 Å²	136.7	75%	0.752	73%	0.725	S	S	*	*			cis	-142.9	179	15.7	-86.7	-142.2	-169.7	0	0	109.7
230	N	28.3	Very low	32.5	Very low	91 Å²	91	133.4 Å²	133.4	49%	0.487	73%	0.725	S	S	.	*			cis	-178.5	164.9	-31.5	-91	-9.4	0	0	0	106.4
231	N	29.1	Very low	32.4	Very low	118 Å²	118	130.8 Å²	130.8	63%	0.631	72%	0.724	S	S	*	*			cis	-157.2	157.9	-20	-113.9	-33.3	0	0	0	109.7
232	Y	27.6	Very low	32.6	Very low	209 Å²	209	129.6 Å²	129.6	82%	0.82	73%	0.725	S	S	*	*			trans	43.3	118.9	153.1	-83.5	-105.8	0	0	0	122.9
233	T	36.2	Very low	33.1	Very low	127 Å²	127	128.8 Å²	128.8	78%	0.779	73%	0.732	S	S	*	*			trans	-82.5	166.5	133.3	60.1	0	0	0	0	109
234	P	44.2	Very low	33.9	Very low	103 Å²	103	126.7 Å²	126.7	67%	0.669	74%	0.735	S	S	*	*				-162.3	-174.5	93.9	35.3	-10.5	0	0	0	118.6
235	V	26.1	Very low	34	Very low	144 Å²	144	127.4 Å²	127.4	87%	0.873	75%	0.746	S	S	*	*			trans	91.8	144.3	156.3	-161.4	0	0	0	0	119.9
236	S	28.7	Very low	34.2	Very low	100 Å²	100	129.8 Å²	129.8	70%	0.699	75%	0.745	S	S	*	*			trans	-132.6	161.8	-163.4	159.7	0	0	0	0	112.2
237	S	31.8	Very low	35.4	Very low	119 Å²	119	127.3 Å²	127.3	83%	0.832	74%	0.736	S	S	*	*			trans	-162.3	134.5	156.4	-68.7	0	0	0	0	115.5
238	V	26.9	Very low	34.9	Very low	138 Å²	138	126.9 Å²	126.9	84%	0.836	73%	0.731	S	S	*	*			trans	-60.1	-174.6	170.4	-80.8	0	0	0	0	117
239	P	46.2	Very low	35.5	Very low	123 Å²	123	125.1 Å²	125.1	80%	0.799	73%	0.728	S	S	*	*			cis	-136.8	-153.6	-1.5	34.6	-9.4	0	0	0	115.8
240	S	31.4	Very low	35.9	Very low	115 Å²	115	123.4 Å²	123.4	80%	0.804	73%	0.729	S	S	*	*			trans	-117.1	-153.8	-178.9	-47.7	0	0	0	0	114.5
241	I	28.1	Very low	36.5	Very low	161 Å²	161	127.2 Å²	127.2	83%	0.826	75%	0.748	S	S	*	*			cis	-162.6	138.3	33.3	-58.7	163.7	0	0	0	113.8
242	S	29.8	Very low	36.7	Very low	88 Å²	88	126.9 Å²	126.9	62%	0.615	76%	0.755	S	S	*	*			trans	36.6	128.6	148.3	-147.1	0	0	0	0	128.4
243	S	40.5	Very low	37.3	Very low	128 Å²	128	121.9 Å²	121.9	90%	0.895	75%	0.751	S	S	*	*			trans	68.4	156.1	143	-114.2	0	0	0	0	127.1
244	G	46.9	Very low	37.3	Very low	62 Å²	62	122.3 Å²	122.3	64%	0.639	75%	0.754	S	S	*	*			trans	-158.4	-156.8	-170.7	0	0	0	0	0	120.2
245	H	35.2	Very low	36.8	Very low	206 Å²	206	125 Å²	125	95%	0.954	76%	0.761	S	S	*	*			trans	-154.2	-174.2	-174.1	-77	-71.7	0	0	0	116.5
246	Y	35.3	Very low	37.1	Very low	155 Å²	155	124.1 Å²	124.1	61%	0.608	76%	0.756	S	S	*	*			trans	-96.5	0	-154	-92.1	-158.6	0	0	0	121.7	E276	Y246-E276 WeakPolarHBondContact CD2-OE1 3.45Å; Y246-E276 HydrophobicContact CE2-CG 4.26Å; Y246-E276 WeakPolarHBondContact CE2-OE1 3.29Å
247	P	57	Low	37.4	Very low	87 Å²	87	125.7 Å²	125.7	57%	0.565	76%	0.761	S	S	*	*				0	171	0	44.9	-25.4	0	0	0	121.7
248	V	36.7	Very low	37.4	Very low	88 Å²	88	128 Å²	128	53%	0.533	76%	0.762	S	S	.	*			trans	65.2	0	142.7	164.8	0	0	0	0	122.4
249	P	50.4	Low	37.6	Very low	104 Å²	104	125.3 Å²	125.3	68%	0.675	75%	0.754	S	S	*	*				0	176.6	0	36.4	-12.6	0	0	0	123.6
250	T	37	Very low	37.1	Very low	126 Å²	126	125.8 Å²	125.8	77%	0.773	76%	0.758	S	S	*	*			trans	77.2	117.1	143.5	38.6	0	0	0	0	131.8
251	L	41.3	Very low	37.4	Very low	170 Å²	170	126 Å²	126	89%	0.89	75%	0.754	S	S	*	*			trans	87.1	120	140	-62	-176	0	0	0	130.6
252	S	33.8	Very low	37.4	Very low	111 Å²	111	126.7 Å²	126.7	78%	0.776	75%	0.754	S	S	*	*			trans	100	112.9	132	-147.6	0	0	0	0	130.3
253	S	39.5	Very low	37.3	Very low	105 Å²	105	129.4 Å²	129.4	73%	0.734	76%	0.756	S	S	*	*			trans	68.1	126.9	130.6	-46	0	0	0	0	132.6
254	T	35.8	Very low	36.6	Very low	135 Å²	135	126.4 Å²	126.4	83%	0.828	75%	0.746	S	S	*	*			trans	95.2	126.6	139.4	-0.4	0	0	0	0	128.4
255	I	33.6	Very low	35.9	Very low	161 Å²	161	126.6 Å²	126.6	83%	0.826	73%	0.732	S	S	*	*			trans	107	171.9	143.9	-126	167.5	0	0	0	124.1
256	T	34.2	Very low	35.3	Very low	125 Å²	125	124.1 Å²	124.1	77%	0.767	73%	0.726	S	S	*	*			trans	-157.1	-168.1	-150.9	59.1	0	0	0	0	119.7
257	V	35	Very low	35.1	Very low	132 Å²	132	122 Å²	122	80%	0.8	73%	0.729	S	S	*	*			trans	110.8	137.3	158.5	-145.1	0	0	0	0	122.1
258	I	31.1	Very low	33.7	Very low	168 Å²	168	123 Å²	123	86%	0.862	73%	0.733	S	S	*	*			trans	88	146.9	168.4	-49.3	-172.1	0	0	0	118.4
259	A	30.3	Very low	33.1	Very low	81 Å²	81	126.1 Å²	126.1	67%	0.669	74%	0.742	S	S	*	*			trans	-135	163.2	-169.9	0	0	0	0	0	114.6
260	P	35.6	Very low	31.7	Very low	134 Å²	134	125.1 Å²	125.1	87%	0.87	74%	0.738	S	S	*	*				-142.1	173.7	113.7	39.5	-26.9	0	0	0	114.6
261	T	37.7	Very low	31	Very low	120 Å²	120	129.9 Å²	129.9	74%	0.736	74%	0.742	S	S	*	*			trans	-127.5	135.4	-170.2	54.1	0	0	0	0	115
262	H	28.3	Very low	30.3	Very low	175 Å²	175	125.7 Å²	125.7	81%	0.81	73%	0.727	S	S	*	*			trans	-151.9	170.7	150.1	-139.4	-102.6	0	0	0	111.8
263	H	28.9	Very low	29.8	Very low	145 Å²	145	128.1 Å²	128.1	67%	0.671	73%	0.726	S	S	*	*			trans	-111.6	132.4	-158.8	-40.3	-70	0	0	0	113.6
264	G	26.1	Very low	29	Very low	65 Å²	65	129.5 Å²	129.5	67%	0.67	72%	0.719	S	S	*	*			trans	173.1	119.3	171.9	0	0	0	0	0	111.4	N266	G264-N266 PolarHBondContact O-N 3.39Å
265	N	30.4	Very low	28.4	Very low	65 Å²	65	127.5 Å²	127.5	35%	0.348	70%	0.7	S	S	.	*			trans	-66	131.7	-179.9	-79.1	8.7	0	0	0	111.8	Q130 S131	Q130-N265 VanDerWaalsContact CA-ND2 3.33Å; Q130-N265 WeakPolarHBondContact CA-ND2 3.37Å; Q130-N265 WeakPolarHBondContact CB-OD1 3.49Å; Q130-N265 WeakPolarHBondContact CG-OD1 3.49Å; Q130-N265 PolarHBondContact NE2-OD1 3.5Å; S131-N265 VanDerWaalsContact CA-ND2 3.26Å; S131-N265 WeakPolarHBondContact CA-ND2 3.28Å; S131-N265 PolarHBondContact N-ND2 3.49Å
266	N	24.3	Very low	28	Very low	154 Å²	154	124.7 Å²	124.7	82%	0.824	68%	0.683	S	S	*	*				-151.5	-179.5	110.8	-107.3	-29.9	0	0	0	112.2	G264	G264-N266 PolarHBondContact O-N 3.39Å
267	T	30.9	Very low	27.7	Very low	110 Å²	110	124.2 Å²	124.2	68%	0.675	68%	0.676	S	S	*	*			trans	-57.5	170.1	-178.2	53.3	0	0	0	0	114.6
268	T	27.5	Very low	27.5	Very low	108 Å²	108	124.6 Å²	124.6	66%	0.663	67%	0.669	S	S	*	*			trans	95.3	149.2	173.1	-140.4	0	0	0	0	111.9
269	E	22.9	Very low	27.5	Very low	155 Å²	155	122.2 Å²	122.2	72%	0.724	66%	0.662	S	S	*	*			cis	-140.7	-174.3	24.5	-62.4	-179.9	142.7	0	0	113.9
270	S	22.1	Very low	27.4	Very low	82 Å²	82	124.2 Å²	124.2	57%	0.573	66%	0.661	S	S	*	*			trans	59.7	129.8	138.2	-75.8	0	0	0	0	121.2
271	W	22.7	Very low	27	Very low	227 Å²	227	124.9 Å²	124.9	86%	0.86	65%	0.653	S	S	*	*			cis	-128.5	151.2	-4.4	-72.2	85.3	0	0	0	107.6
272	S	24.9	Very low	26.5	Very low	82 Å²	82	124.7 Å²	124.7	57%	0.573	65%	0.647	S	S	*	*				74.7	139.6	62	-31.1	0	0	0	0	115
273	E	23	Very low	26.5	Very low	162 Å²	162	120.4 Å²	120.4	76%	0.757	64%	0.637	S	S	*	*			trans	69.5	124.4	169.7	-94.2	50.4	-138.8	0	0	122.8
274	F	23.1	Very low	26.7	Very low	133 Å²	133	120.5 Å²	120.5	58%	0.583	63%	0.632	S	S	*	*			trans	76.6	100.1	156.3	-84.4	-89.7	0	0	0	124.2
275	H	23.8	Very low	27.1	Very low	94 Å²	94	120.6 Å²	120.6	44%	0.435	62%	0.619	S	S	.	*			trans	50.9	141.2	133.7	-76.8	-100.7	0	0	0	121.7
276	E	25.7	Very low	27.3	Very low	102 Å²	102	127.8 Å²	127.8	48%	0.477	64%	0.642	S	S	.	*			cis	-167.7	157.7	-16.2	-161.7	119.8	93.2	0	0	110	Y246	Y246-E276 WeakPolarHBondContact CD2-OE1 3.45Å; Y246-E276 HydrophobicContact CE2-CG 4.26Å; Y246-E276 WeakPolarHBondContact CE2-OE1 3.29Å
277	D	27.4	Very low	28.1	Very low	115 Å²	115	126.1 Å²	126.1	62%	0.615	64%	0.639	S	S	*	*			trans	24.9	154.5	147.6	-82.3	0.1	0	0	0	123.6
278	Q	30.2	Very low	28.7	Very low	140 Å²	140	126.9 Å²	126.9	65%	0.654	65%	0.646	S	S	*	*			cis	-158.9	142	18.9	-142.2	159.7	64.8	0	0	113.4
279	V	31.3	Very low	29.9	Very low	118 Å²	118	129.4 Å²	129.4	72%	0.715	65%	0.652	S	S	*	*			trans	51.5	158.3	146.2	-63.2	0	0	0	0	121.9
280	D	28.1	Very low	31.9	Very low	122 Å²	122	127.7 Å²	127.7	65%	0.652	65%	0.654	S	S	*	*			cis	-153.1	167.5	-11.5	-130.9	-36.6	0	0	0	114.9
281	H	28.4	Very low	34.1	Very low	149 Å²	149	130.7 Å²	130.7	69%	0.69	66%	0.657	S	S	*	*			trans	62.4	134.6	145.8	-86.1	39.9	0	0	0	122.9
282	N	26.7	Very low	36.7	Very low	116 Å²	116	127.8 Å²	127.8	62%	0.62	65%	0.651	S	S	*	*			trans	12.8	123.8	141.1	-75.6	-61	0	0	0	119.4
283	S	28.8	Very low	39.4	Very low	85 Å²	85	130.6 Å²	130.6	59%	0.594	65%	0.649	S	S	*	*			trans	148.3	103.8	131	57.8	0	0	0	0	115.9	R139 S140 R141	R139-S283 CarbonylContact O-C 3.55Å; R139-S283 WeakPolarHBondContact O-CA 3.47Å; R139-S283 PolarHBondContact O-N 2.92Å; R139-S283 VanDerWaalsContact O-N 3.13Å; S140-S283 CarbonylContact O-C 3.45Å; S140-S283 WeakPolarHBondContact O-CA 3.45Å; S140-S283 WeakPolarHBondContact O-CB 3.23Å; R141-S283 WeakPolarHBondContact O-CB 3.23Å
284	Y	31.7	Very low	42.4	Very low	147 Å²	147	123 Å²	123	58%	0.576	61%	0.614	S	S	*	*			trans	-132.7	114	146.5	62.2	109.3	0	0	0	115.7	R139 S140	R139-Y284 PolarHBondContact O-N 3.46Å; S140-Y284 VanDerWaalsContact C-C 3.46Å; S140-Y284 VanDerWaalsContact N-N 3.18Å; S140-Y284 PolarHBondContact N-O 2.96Å; S140-Y284 CarbonylContact O-C 3.06Å; S140-Y284 WeakPolarHBondContact O-CA 3.36Å; S140-Y284 PolarHBondContact O-N 3.27Å
285	V	35.1	Very low	45.4	Very low	66 Å²	66	125.2 Å²	125.2	40%	0.4	62%	0.618	S	S	.	*	S	Bend	trans	-104.7	157.1	138.2	-64.7	0	0	0	0	106.4	S140 R141	S140-V285 PolarHBondContact O-N 3.25Å; R141-V285 HydrophobicContact CB-CG1 4.2Å; R141-V285 HydrophobicContact CB-CG2 4.48Å
286	R	33.9	Very low	48.1	Very low	217 Å²	217	123.9 Å²	123.9	82%	0.819	61%	0.614	S	S	*	*	S	Bend	trans	46.5	103.1	165.7	-69.1	-175.6	171.3	-86.6	-6.5	114.7
287	P	41.5	Very low	50.9	Low	118 Å²	118	121.1 Å²	121.1	77%	0.766	60%	0.6	S	S	*	*	P	Polyproline II helix	trans	-51.9	144.9	169.8	25.2	-35.1	0	0	0	110.4	M289	P287-M289 PolarHBondContact O-N 3.07Å
288	P	44.8	Very low	53.6	Low	126 Å²	126	119.3 Å²	119.3	82%	0.818	59%	0.59	S	S	*	*	P	Polyproline II helix	trans	-58.7	132.5	-175.8	23.9	-33.5	0	0	0	110.3
289	M	52.8	Low	55.8	Low	162 Å²	162	118.3 Å²	118.3	80%	0.798	59%	0.585	S	S	*	*	P	Polyproline II helix	trans	-59.7	142.1	169.5	-63.5	-70.3	-67.8	0	0	108.7	P287 K291	P287-M289 PolarHBondContact O-N 3.07Å; M289-K291 PolarHBondContact O-N 2.93Å
290	P	63.8	Low	58	Low	118 Å²	118	118.3 Å²	118.3	77%	0.766	58%	0.576	S	S	*	*	P	Polyproline II helix	trans	-55.4	125.5	-179.2	21.6	-32.9	0	0	0	110.6	K292	P290-K292 PolarHBondContact O-N 2.99Å
291	K	68.1	Low	60.4	Low	145 Å²	145	115 Å²	115	63%	0.63	57%	0.57	S	S	*	*	P	Polyproline II helix	trans	-57.6	137.9	174.8	-72.8	-177.9	179.5	179.5	0	108.5	M289 D312	M289-K291 PolarHBondContact O-N 2.93Å; K291-D312 HydrophobicContact CB-CB 4Å
292	K	77.4	Confident	62.9	Low	166 Å²	166	113.9 Å²	113.9	72%	0.722	56%	0.563	S	S	*	*	P	Polyproline II helix	trans	-73.8	144.4	170.1	-65.9	-179.6	-179.4	178	0	108.6	P290 F311 D312	P290-K292 PolarHBondContact O-N 2.99Å; K292-F311 HydrophobicContact CB-CD1 4.24Å; K292-F311 CarbonylContact O-C 3.59Å; K292-F311 WeakPolarHBondContact O-CA 3.42Å; K292-F311 VanDerWaalsContact O-CB 3.3Å; K292-F311 WeakPolarHBondContact O-CB 3.32Å; K292-D312 PolarHBondContact O-N 3.49Å
293	R	82.8	Confident	65.6	Low	141 Å²	141	109.1 Å²	109.1	53%	0.532	54%	0.539	S	S	.	.	B	Isolated β-bridge	trans	-64	141.9	175.6	-147.9	170.2	176	-132.1	1.2	110.8	R295 D298 D312	R293-R295 PolarHBondContact O-N 3.4Å; R293-D298 VanDerWaalsContact CD-OD1 3.25Å; R293-D298 WeakPolarHBondContact CD-OD1 3.41Å; R293-D298 WeakPolarHBondContact CD-OD2 3.5Å; R293-D298 VanDerWaalsContact CG-OD1 3.32Å; R293-D298 WeakPolarHBondContact CG-OD1 3.24Å; R293-D298 IonicContact CZ-OD1 3.14Å; R293-D298 IonicContact CZ-OD2 2.62Å; R293-D298 IonicContact NE-OD1 3.9Å; R293-D298 PolarHBondContact NE-OD1 2.95Å; R293-D298 IonicContact NE-OD2 3.38Å; R293-D298 IonicContact NH1-OD1 2.72Å; R293-D298 PolarHBondContact NH1-OD1 2.91Å; R293-D298 IonicContact NH1-OD2 3.79Å; R293-D298 PolarHBondContact NH1-OD2 2.91Å; R293-D298 IonicContact NH2-OD1 2.93Å; R293-D312 CarbonylContact C-O 3.55Å; R293-D312 VanDerWaalsContact CA-O 3.26Å; R293-D312 WeakPolarHBondContact CA-O 3.32Å; R293-D312 WeakPolarHBondContact CG-O 3.46Å
294	C	84.4	Confident	68.1	Low	3 Å²	3	113.7 Å²	113.7	2%	0.02	55%	0.553	C	S	.	*	P	Polyproline II helix	trans	-74.2	121.1	-174.2	-176.6	0	0	0	0	110.3	D296 Y297 D298 C309 F311 D312 H313	C294-D296 VanDerWaalsContact C-N 3.33Å; C294-D296 PolarHBondContact O-N 3.41Å; C294-Y297 PolarHBondContact O-N 3.08Å; C294-D298 PolarHBondContact O-N 2.98Å; C294-C309 PolarHBondContact SG-SG 2.93Å; C294-F311 HydrophobicContact CB-CB 3.64Å; C294-D312 PolarHBondContact N-O 2.94Å; C294-H313 WeakPolarHBondContact CB-CD2 3.34Å; C294-H313 WeakPolarHBondContact CB-NE2 3.43Å
295	R	86.1	Confident	70.2	Confident	179 Å²	179	114 Å²	114	68%	0.675	55%	0.553	S	S	*	*	H	α-helix	trans	-63.4	-37.4	-179.6	-172.1	176.7	-174	120.8	11.5	112.9	R293 Y297 D298 E299	R293-R295 PolarHBondContact O-N 3.4Å; R295-Y297 VanDerWaalsContact C-N 3.35Å; R295-D298 PolarHBondContact O-N 3.32Å; R295-E299 HydrophobicContact CG-CG 4.04Å; R295-E299 VanDerWaalsContact CG-OE2 3.29Å; R295-E299 WeakPolarHBondContact CG-OE2 3.35Å; R295-E299 IonicContact CZ-OE1 2.65Å; R295-E299 IonicContact CZ-OE2 2.96Å; R295-E299 IonicContact NE-OE1 3.02Å; R295-E299 PolarHBondContact NE-OE1 2.92Å; R295-E299 IonicContact NE-OE2 3.96Å; R295-E299 PolarHBondContact NE-OE2 3.39Å; R295-E299 IonicContact NH2-OE1 2.64Å; R295-E299 PolarHBondContact NH2-OE1 2.85Å; R295-E299 IonicContact NH2-OE2 2.67Å; R295-E299 VanDerWaalsContact O-CB 3.29Å; R295-E299 WeakPolarHBondContact O-CB 3.45Å; R295-E299 WeakPolarHBondContact O-CG 3.26Å; R295-E299 PolarHBondContact O-N 3Å
296	D	80.9	Confident	72.2	Confident	67 Å²	67	112.5 Å²	112.5	36%	0.358	55%	0.551	S	S	.	*	H	α-helix	trans	-65.3	-39.6	177	-76	-68	0	0	0	111.7	C294 K300 F302 C303	C294-D296 VanDerWaalsContact C-N 3.33Å; C294-D296 PolarHBondContact O-N 3.41Å; D296-K300 WeakPolarHBondContact O-CB 3.42Å; D296-K300 WeakPolarHBondContact O-CG 3.45Å; D296-K300 PolarHBondContact O-N 3.43Å; D296-K300 IonicContact OD1-NZ 2.64Å; D296-K300 PolarHBondContact OD1-NZ 2.92Å; D296-F302 CarbonylContact C-O 3.51Å; D296-C303 HydrophobicContact CB-CB 4.44Å
297	Y	83.8	Confident	73.9	Confident	43 Å²	43	107.2 Å²	107.2	17%	0.169	54%	0.54	C	S	.	.	H	α-helix	trans	-69.5	-44.2	175.9	-168.1	-86.4	0	0	0	111.7	C294 R295 E299 K300 G301 H313 D316 P317	C294-Y297 PolarHBondContact O-N 3.08Å; R295-Y297 VanDerWaalsContact C-N 3.35Å; Y297-E299 PolarHBondContact O-N 3.14Å; Y297-K300 PolarHBondContact O-N 3.08Å; Y297-G301 VanDerWaalsContact CE2-O 3.27Å; Y297-G301 WeakPolarHBondContact CE2-O 3.35Å; Y297-G301 VanDerWaalsContact O-CA 3.25Å; Y297-G301 WeakPolarHBondContact O-CA 3.38Å; Y297-G301 PolarHBondContact O-N 3.38Å; Y297-H313 VanDerWaalsContact CB-CD2 3.41Å; Y297-H313 WeakPolarHBondContact CB-CD2 3.49Å; Y297-H313 HydrophobicContact CD1-CB 3.99Å; Y297-H313 WeakPolarHBondContact CD1-O 3.37Å; Y297-H313 HydrophobicContact CD2-CB 3.86Å; Y297-H313 AromaticContact CD2-CD2 3.75Å; Y297-H313 AromaticContact CD2-CG 3.61Å; Y297-H313 AromaticContact CD2-ND1 3.99Å; Y297-H313 HydrophobicContact CE1-CB 4.09Å; Y297-H313 WeakPolarHBondContact CE1-O 3.5Å; Y297-H313 HydrophobicContact CE2-CB 3.98Å; Y297-H313 HydrophobicContact CG-CB 3.88Å; Y297-H313 AromaticContact CG-CD2 3.58Å; Y297-H313 AromaticContact CG-CG 3.77Å; Y297-D316 PolarHBondContact OH-O 3.45Å; Y297-P317 HydrophobicContact CE2-CB 4.42Å
298	D	84.1	Confident	75.3	Confident	78 Å²	78	109.7 Å²	109.7	42%	0.417	54%	0.543	S	S	.	.	H	α-helix	trans	-67	-31.3	178.1	-86.6	28.7	0	0	0	113.7	R293 C294 R295	R293-D298 VanDerWaalsContact CD-OD1 3.25Å; R293-D298 WeakPolarHBondContact CD-OD1 3.41Å; R293-D298 WeakPolarHBondContact CD-OD2 3.5Å; R293-D298 VanDerWaalsContact CG-OD1 3.32Å; R293-D298 WeakPolarHBondContact CG-OD1 3.24Å; R293-D298 IonicContact CZ-OD1 3.14Å; R293-D298 IonicContact CZ-OD2 2.62Å; R293-D298 IonicContact NE-OD1 3.9Å; R293-D298 PolarHBondContact NE-OD1 2.95Å; R293-D298 IonicContact NE-OD2 3.38Å; R293-D298 IonicContact NH1-OD1 2.72Å; R293-D298 PolarHBondContact NH1-OD1 2.91Å; R293-D298 IonicContact NH1-OD2 3.79Å; R293-D298 PolarHBondContact NH1-OD2 2.91Å; R293-D298 IonicContact NH2-OD1 2.93Å; C294-D298 PolarHBondContact O-N 2.98Å; R295-D298 PolarHBondContact O-N 3.32Å
299	E	78.3	Confident	77	Confident	118 Å²	118	104 Å²	104	55%	0.551	51%	0.506	S	S	*	.	H	α-helix	trans	-92.4	-12	179.9	-66.8	-175.6	148.2	0	0	113.8	R295 Y297	R295-E299 HydrophobicContact CG-CG 4.04Å; R295-E299 VanDerWaalsContact CG-OE2 3.29Å; R295-E299 WeakPolarHBondContact CG-OE2 3.35Å; R295-E299 IonicContact CZ-OE1 2.65Å; R295-E299 IonicContact CZ-OE2 2.96Å; R295-E299 IonicContact NE-OE1 3.02Å; R295-E299 PolarHBondContact NE-OE1 2.92Å; R295-E299 IonicContact NE-OE2 3.96Å; R295-E299 PolarHBondContact NE-OE2 3.39Å; R295-E299 IonicContact NH2-OE1 2.64Å; R295-E299 PolarHBondContact NH2-OE1 2.85Å; R295-E299 IonicContact NH2-OE2 2.67Å; R295-E299 VanDerWaalsContact O-CB 3.29Å; R295-E299 WeakPolarHBondContact O-CB 3.45Å; R295-E299 WeakPolarHBondContact O-CG 3.26Å; R295-E299 PolarHBondContact O-N 3Å; Y297-E299 PolarHBondContact O-N 3.14Å
300	K	75.5	Confident	78.2	Confident	119 Å²	119	100.4 Å²	100.4	52%	0.517	50%	0.495	S	S	.	.	H	α-helix	trans	-138.3	-9.5	-172.4	-52.9	167.5	-176.7	164.2	0	115.6	D296 Y297 F302	D296-K300 WeakPolarHBondContact O-CB 3.42Å; D296-K300 WeakPolarHBondContact O-CG 3.45Å; D296-K300 PolarHBondContact O-N 3.43Å; D296-K300 IonicContact OD1-NZ 2.64Å; D296-K300 PolarHBondContact OD1-NZ 2.92Å; Y297-K300 PolarHBondContact O-N 3.08Å; K300-F302 HydrophobicContact CB-CD1 4.24Å; K300-F302 HydrophobicContact CB-CE1 4.16Å; K300-F302 VanDerWaalsContact O-CD1 3.3Å; K300-F302 WeakPolarHBondContact O-CD1 3.42Å; K300-F302 PolarHBondContact O-N 3.3Å
301	G	78.9	Confident	79.1	Confident	51 Å²	51	99.4 Å²	99.4	53%	0.526	48%	0.478	S	S	.	.	S	Bend	trans	77.9	-5.8	-173.8	0	0	0	0	0	115.4	Y297	Y297-G301 VanDerWaalsContact CE2-O 3.27Å; Y297-G301 WeakPolarHBondContact CE2-O 3.35Å; Y297-G301 VanDerWaalsContact O-CA 3.25Å; Y297-G301 WeakPolarHBondContact O-CA 3.38Å; Y297-G301 PolarHBondContact O-N 3.38Å
302	F	80.8	Confident	79.8	Confident	126 Å²	126	95.9 Å²	95.9	55%	0.553	47%	0.467	S	S	*	.			trans	-150.7	157.9	178.5	70.4	-82.4	0	0	0	111.9	D296 K300 M304	D296-F302 CarbonylContact C-O 3.51Å; K300-F302 HydrophobicContact CB-CD1 4.24Å; K300-F302 HydrophobicContact CB-CE1 4.16Å; K300-F302 VanDerWaalsContact O-CD1 3.3Å; K300-F302 WeakPolarHBondContact O-CD1 3.42Å; K300-F302 PolarHBondContact O-N 3.3Å; F302-M304 HydrophobicContact CE2-CG 4.19Å
303	C	83.7	Confident	80	Confident	17 Å²	17	88.7 Å²	88.7	12%	0.115	44%	0.436	C	S	.	.			trans	-128.1	130	172.4	-172	0	0	0	0	109.9	D296 R305 G306 H313	D296-C303 HydrophobicContact CB-CB 4.44Å; C303-R305 PolarHBondContact O-N 3.49Å; C303-G306 PolarHBondContact O-N 2.86Å; C303-H313 WeakPolarHBondContact CB-NE2 3.37Å
304	M	82	Confident	79.6	Confident	180 Å²	180	83 Å²	83	89%	0.887	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	13.6	178.5	-51.2	-162.2	-40.2	0	0	114.5	F302	F302-M304 HydrophobicContact CE2-CG 4.19Å
305	R	75.6	Confident	78.7	Confident	153 Å²	153	89.3 Å²	89.3	58%	0.577	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.6	-8.2	168.7	-68.2	-178.6	175.6	142.2	0.9	112.7	C303 D307 M308 C309	C303-R305 PolarHBondContact O-N 3.49Å; R305-D307 PolarHBondContact O-N 2.66Å; R305-M308 WeakPolarHBondContact O-CA 3.48Å; R305-M308 WeakPolarHBondContact O-CB 3.31Å; R305-M308 PolarHBondContact O-N 3.19Å; R305-C309 HydrophobicContact CB-CB 4.06Å
306	G	76.8	Confident	77.3	Confident	35 Å²	35	86.7 Å²	86.7	36%	0.361	46%	0.464	S	S	.	.	G	3₁₀ helix	trans	48.9	-138.4	-171.2	0	0	0	0	0	111.1	C303 M308 C309 H313	C303-G306 PolarHBondContact O-N 2.86Å; G306-M308 PolarHBondContact O-N 3.45Å; G306-C309 VanDerWaalsContact O-CB 3.23Å; G306-C309 WeakPolarHBondContact O-CB 3.34Å; G306-C309 PolarHBondContact O-N 2.84Å; G306-C309 VanDerWaalsContact O-N 3.09Å; G306-H313 PolarHBondContact O-CE1 3.35Å; G306-H313 VanDerWaalsContact O-CE1 3.27Å
307	D	70.9	Confident	76.1	Confident	107 Å²	107	85.6 Å²	85.6	57%	0.572	46%	0.461	S	S	*	.	G	3₁₀ helix	trans	-72.7	-11.3	-179.9	-52.2	-45.9	0	0	0	113.8	R305 C309	R305-D307 PolarHBondContact O-N 2.66Å; D307-C309 PolarHBondContact O-N 2.96Å
308	M	70.1	Confident	74.9	Confident	169 Å²	169	89.6 Å²	89.6	83%	0.833	49%	0.49	S	S	*	.	G	3₁₀ helix	trans	-75.4	8.3	168.1	-59	-61.7	-68.2	0	0	112.6	R305 G306 P310	R305-M308 WeakPolarHBondContact O-CA 3.48Å; R305-M308 WeakPolarHBondContact O-CB 3.31Å; R305-M308 PolarHBondContact O-N 3.19Å; G306-M308 PolarHBondContact O-N 3.45Å; M308-P310 WeakPolarHBondContact O-CD 3.44Å
309	C	80.8	Confident	73.5	Confident	8 Å²	8	89.6 Å²	89.6	5%	0.054	49%	0.492	C	S	.	.			trans	-73.4	127.1	169.9	-165.2	0	0	0	0	111.4	C294 R305 G306 D307 F311	C294-C309 PolarHBondContact SG-SG 2.93Å; R305-C309 HydrophobicContact CB-CB 4.06Å; G306-C309 VanDerWaalsContact O-CB 3.23Å; G306-C309 WeakPolarHBondContact O-CB 3.34Å; G306-C309 PolarHBondContact O-N 2.84Å; G306-C309 VanDerWaalsContact O-N 3.09Å; D307-C309 PolarHBondContact O-N 2.96Å; C309-F311 PolarHBondContact O-N 3.34Å; C309-F311 VanDerWaalsContact O-N 3.09Å
310	P	76.6	Confident	72.1	Confident	85 Å²	85	90.4 Å²	90.4	55%	0.552	51%	0.505	S	S	*	.	S	Bend	trans	-67.6	-7.1	175.2	-22.3	34.6	0	0	0	115	M308	M308-P310 WeakPolarHBondContact O-CD 3.44Å
311	F	83.7	Confident	70.5	Confident	97 Å²	97	92.6 Å²	92.6	43%	0.425	52%	0.517	S	S	.	.	S	Bend	trans	-111.9	149.9	-174.1	-60.9	-69.3	0	0	0	110.4	K292 C294 C309	K292-F311 HydrophobicContact CB-CD1 4.24Å; K292-F311 CarbonylContact O-C 3.59Å; K292-F311 WeakPolarHBondContact O-CA 3.42Å; K292-F311 VanDerWaalsContact O-CB 3.3Å; K292-F311 WeakPolarHBondContact O-CB 3.32Å; C294-F311 HydrophobicContact CB-CB 3.64Å; C309-F311 PolarHBondContact O-N 3.34Å; C309-F311 VanDerWaalsContact O-N 3.09Å
312	D	82.6	Confident	68.9	Low	72 Å²	72	96.3 Å²	96.3	39%	0.385	53%	0.525	S	S	.	.	B	Isolated β-bridge	trans	-71.9	138.9	-176.3	-177.9	22.2	0	0	0	111.8	K291 K292 R293 C294 G314	K291-D312 HydrophobicContact CB-CB 4Å; K292-D312 PolarHBondContact O-N 3.49Å; R293-D312 CarbonylContact C-O 3.55Å; R293-D312 VanDerWaalsContact CA-O 3.26Å; R293-D312 WeakPolarHBondContact CA-O 3.32Å; R293-D312 WeakPolarHBondContact CG-O 3.46Å; C294-D312 PolarHBondContact N-O 2.94Å; D312-G314 PolarHBondContact OD1-N 3Å
313	H	81.1	Confident	66.8	Low	15 Å²	15	97.4 Å²	97.4	7%	0.069	54%	0.542	C	S	.	.			trans	-96.3	-12.2	173.5	-66.1	158.9	0	0	0	112.1	C294 Y297 C303 G306 P317	C294-H313 WeakPolarHBondContact CB-CD2 3.34Å; C294-H313 WeakPolarHBondContact CB-NE2 3.43Å; Y297-H313 VanDerWaalsContact CB-CD2 3.41Å; Y297-H313 WeakPolarHBondContact CB-CD2 3.49Å; Y297-H313 HydrophobicContact CD1-CB 3.99Å; Y297-H313 WeakPolarHBondContact CD1-O 3.37Å; Y297-H313 HydrophobicContact CD2-CB 3.86Å; Y297-H313 AromaticContact CD2-CD2 3.75Å; Y297-H313 AromaticContact CD2-CG 3.61Å; Y297-H313 AromaticContact CD2-ND1 3.99Å; Y297-H313 HydrophobicContact CE1-CB 4.09Å; Y297-H313 WeakPolarHBondContact CE1-O 3.5Å; Y297-H313 HydrophobicContact CE2-CB 3.98Å; Y297-H313 HydrophobicContact CG-CB 3.88Å; Y297-H313 AromaticContact CG-CD2 3.58Å; Y297-H313 AromaticContact CG-CG 3.77Å; C303-H313 WeakPolarHBondContact CB-NE2 3.37Å; G306-H313 PolarHBondContact O-CE1 3.35Å; G306-H313 VanDerWaalsContact O-CE1 3.27Å; H313-P317 HydrophobicContact CB-CB 4.19Å
314	G	76.1	Confident	64.4	Low	22 Å²	22	102.6 Å²	102.6	23%	0.227	57%	0.568	C	S	.	*			trans	89.1	-176.4	-168.8	0	0	0	0	0	111.4	D312 D316	D312-G314 PolarHBondContact OD1-N 3Å; G314-D316 VanDerWaalsContact C-N 3.31Å; G314-D316 PolarHBondContact O-N 2.9Å
315	S	64	Low	62.2	Low	134 Å²	134	102 Å²	102	94%	0.937	57%	0.568	S	S	*	*	S	Bend	trans	-81.3	7.8	-159.6	52.4	0	0	0	0	116.8
316	D	56.9	Low	60.7	Low	125 Å²	125	100.5 Å²	100.5	67%	0.668	58%	0.578	S	S	*	*			trans	-157.5	81.8	173.5	-165.5	10.7	0	0	0	112.3	Y297 G314	Y297-D316 PolarHBondContact OH-O 3.45Å; G314-D316 VanDerWaalsContact C-N 3.31Å; G314-D316 PolarHBondContact O-N 2.9Å
317	P	56.2	Low	58.5	Low	44 Å²	44	102.3 Å²	102.3	29%	0.286	60%	0.596	S	S	.	*			trans	-82.3	116.3	170.1	32	-29.4	0	0	0	110.5	Y297 H313 V319	Y297-P317 HydrophobicContact CE2-CB 4.42Å; H313-P317 HydrophobicContact CB-CB 4.19Å; P317-V319 PolarHBondContact O-N 2.93Å
318	V	58	Low	56.6	Low	127 Å²	127	105 Å²	105	77%	0.77	61%	0.607	S	S	*	*			trans	-67.3	97.9	170.1	-178.1	0	0	0	0	109.3
319	V	54.1	Low	55	Low	77 Å²	77	104 Å²	104	47%	0.467	61%	0.605	S	S	.	*			trans	-73.6	142.4	173.8	-176.9	0	0	0	0	109.4	P317 E321	P317-V319 PolarHBondContact O-N 2.93Å; V319-E321 HydrophobicContact CG1-CG 4.02Å
320	V	49	Very low	53.1	Low	136 Å²	136	108.9 Å²	108.9	82%	0.824	64%	0.636	S	S	*	*			trans	-113.7	112.5	167.6	-177.8	0	0	0	0	106.7
321	E	43.5	Very low	51.4	Low	164 Å²	164	114 Å²	114	77%	0.766	65%	0.65	S	S	*	*			trans	-85.1	164.2	-174	-74.3	-174.8	124.1	0	0	114.1	V319	V319-E321 HydrophobicContact CG1-CG 4.02Å
322	D	44.5	Very low	49.2	Very low	130 Å²	130	115.3 Å²	115.3	70%	0.695	67%	0.668	S	S	*	*			trans	61.9	111.3	161.5	-70.9	-5.1	0	0	0	122.2
323	V	36.7	Very low	47.1	Very low	149 Å²	149	116 Å²	116	90%	0.903	68%	0.684	S	S	*	*				-138.2	130.7	120.9	-173.2	0	0	0	0	109.7
324	N	34	Very low	44.8	Very low	126 Å²	126	122.8 Å²	122.8	67%	0.674	72%	0.716	S	S	*	*			trans	-70.7	162.4	-175.9	-78.3	-52	0	0	0	116.1
325	L	34.7	Very low	43.3	Very low	167 Å²	167	126.7 Å²	126.7	87%	0.874	74%	0.737	S	S	*	*				170.7	158.9	111.5	-83.2	169.8	0	0	0	112.7
326	P	44.5	Very low	43.1	Very low	122 Å²	122	126.1 Å²	126.1	79%	0.792	73%	0.73	S	S	*	*			trans	-134.2	174.7	-145	43.6	-28.2	0	0	0	118.9
327	G	30.5	Very low	41.8	Very low	72 Å²	72	126.4 Å²	126.4	74%	0.742	74%	0.736	S	S	*	*			trans	98.2	159.1	154.5	0	0	0	0	0	118.1
328	M	31.5	Very low	40.8	Very low	165 Å²	165	129.5 Å²	129.5	81%	0.813	75%	0.754	S	S	*	*			cis	-163.9	137.4	-8.8	-111	-179.2	76.6	0	0	112.6
329	L	35.8	Very low	39.5	Very low	148 Å²	148	132.6 Å²	132.6	78%	0.775	76%	0.76	S	S	*	*			trans	66.8	160.2	144.5	-65.3	-160.3	0	0	0	122.8
330	P	41.9	Very low	38.4	Very low	109 Å²	109	132.1 Å²	132.1	71%	0.708	77%	0.77	S	S	*	*			trans	-135	-161	-139.3	47.4	-30.9	0	0	0	117.4
331	F	39.8	Very low	38.3	Very low	192 Å²	192	131.8 Å²	131.8	84%	0.842	77%	0.771	S	S	*	*			trans	-55.8	166.8	170.7	-64.7	-96.3	0	0	0	114.4
332	P	37.8	Very low	38.8	Very low	126 Å²	126	129.4 Å²	129.4	82%	0.818	77%	0.77	S	S	*	*				-131.5	164.3	93.8	37.8	-29.8	0	0	0	115
333	A	38.2	Very low	38.9	Very low	86 Å²	86	129.1 Å²	129.1	71%	0.711	78%	0.775	S	S	*	*			trans	-108.6	-175.2	167.9	0	0	0	0	0	110.4
334	Q	33.1	Very low	39.4	Very low	157 Å²	157	128 Å²	128	73%	0.734	77%	0.771	S	S	*	*			trans	145.7	165.9	156.7	-73.4	-109.1	-3.3	0	0	110.1
335	P	45.6	Very low	39.7	Very low	105 Å²	105	125.5 Å²	125.5	68%	0.682	78%	0.775	S	S	*	*				-130.7	-162.4	-58.5	42.4	-25.4	0	0	0	110.9
336	P	58	Low	39.6	Very low	122 Å²	122	125.8 Å²	125.8	79%	0.792	78%	0.777	S	S	*	*			trans	-110.6	169.9	-165.1	41.8	-35.1	0	0	0	116.9
337	V	31.6	Very low	39.4	Very low	131 Å²	131	125.5 Å²	125.5	79%	0.794	78%	0.775	S	S	*	*			trans	-163.3	129.5	161.4	133	0	0	0	0	105.7
338	V	34.8	Very low	40.6	Very low	108 Å²	108	127.4 Å²	127.4	66%	0.655	77%	0.774	S	S	*	*				85.4	124	57.9	171.2	0	0	0	0	113
339	E	29.2	Very low	40.8	Very low	193 Å²	193	125.5 Å²	125.5	90%	0.902	77%	0.774	S	S	*	*			trans	57.1	154.9	172.6	-67.1	166.1	141.2	0	0	117.2
340	G	31.5	Very low	41	Very low	66 Å²	66	123.3 Å²	123.3	68%	0.68	77%	0.768	S	S	*	*			cis	-161.5	-169.1	-1.7	0	0	0	0	0	110.4
341	P	47.5	Very low	41.4	Very low	129 Å²	129	121.3 Å²	121.3	84%	0.838	76%	0.755	S	S	*	*			trans	-99.9	-163.4	-170.3	42.5	-38.3	0	0	0	114.2
342	P	54.3	Low	41	Very low	114 Å²	114	120.1 Å²	120.1	74%	0.74	76%	0.756	S	S	*	*				-96.6	177.2	-107.6	41.3	-26.6	0	0	0	115
343	P	46.7	Very low	40.9	Very low	125 Å²	125	120.9 Å²	120.9	81%	0.812	75%	0.753	S	S	*	*				-147.5	169.6	104	37.6	-21.8	0	0	0	115.5
344	P	46.2	Very low	41	Very low	125 Å²	125	122.2 Å²	122.2	81%	0.812	75%	0.752	S	S	*	*			trans	-106.4	140.4	-171.9	37.7	-31.5	0	0	0	116.4
345	G	40.4	Very low	41.6	Very low	74 Å²	74	120.7 Å²	120.7	76%	0.763	76%	0.756	S	S	*	*			trans	86.4	113.1	134.6	0	0	0	0	0	120.4
346	L	32.4	Very low	42	Very low	173 Å²	173	120.4 Å²	120.4	91%	0.906	75%	0.754	S	S	*	*			trans	-132.5	144.7	144.2	-80.8	-179.4	0	0	0	110.7
347	P	40.3	Very low	41.5	Very low	116 Å²	116	120.6 Å²	120.6	75%	0.753	76%	0.755	S	S	*	*			trans	-105.5	-152.7	-175.2	45.8	-38.4	0	0	0	111.8
348	P	55.8	Low	42	Very low	112 Å²	112	119.9 Å²	119.9	73%	0.727	75%	0.751	S	S	*	*				-128	172.3	-109.3	38.6	-19.8	0	0	0	116
349	P	35.5	Very low	42.1	Very low	124 Å²	124	121.5 Å²	121.5	81%	0.805	76%	0.756	S	S	*	*			trans	-125	161.9	143.3	36.2	-26.9	0	0	0	113.5
350	P	40.4	Very low	42.4	Very low	102 Å²	102	120.1 Å²	120.1	66%	0.662	75%	0.754	S	S	*	*			trans	-118	-152.3	-160.9	49.8	-36.3	0	0	0	112.2
351	P	51.2	Low	42.6	Very low	67 Å²	67	128 Å²	128	44%	0.435	76%	0.763	S	S	.	*			trans	-108.9	178.4	-137.3	43.9	-30.7	0	0	0	115.4
352	I	31.3	Very low	42.6	Very low	168 Å²	168	127.1 Å²	127.1	86%	0.862	76%	0.757	S	S	*	*			trans	-160.1	176	150.1	-107.9	151.4	0	0	0	111.5
353	L	34.2	Very low	42.7	Very low	142 Å²	142	127.1 Å²	127.1	74%	0.743	76%	0.757	S	S	*	*			trans	-102.6	175.1	-171.3	-69	161.9	0	0	0	113.9
354	T	41.3	Very low	41.9	Very low	114 Å²	114	127.8 Å²	127.8	70%	0.699	76%	0.759	S	S	*	*			trans	-39.6	158.6	167.8	48.5	0	0	0	0	115.7
355	P	45.3	Very low	41.7	Very low	124 Å²	124	127.4 Å²	127.4	81%	0.805	76%	0.756	S	S	*	*			cis	-144.8	-121.8	49	34.9	-6.6	0	0	0	118.3
356	P	53.3	Low	42.8	Very low	100 Å²	100	129.4 Å²	129.4	65%	0.649	76%	0.756	S	S	*	*			trans	-131.7	-168.6	-131.7	42.8	-20.5	0	0	0	116.4
357	P	48.8	Very low	43.1	Very low	125 Å²	125	127.6 Å²	127.6	81%	0.812	75%	0.754	S	S	*	*			trans	-136.5	-170.7	134.1	32.3	-14.9	0	0	0	115.3
358	V	41.5	Very low	42.8	Very low	117 Å²	117	125.3 Å²	125.3	71%	0.709	75%	0.752	S	S	*	*				-143.5	-178	-121.9	-89.2	0	0	0	0	116.3
359	N	37	Very low	42.4	Very low	141 Å²	141	125.6 Å²	125.6	75%	0.754	75%	0.754	S	S	*	*			trans	89.7	146.9	159	-60.9	-38.5	0	0	0	118
360	L	35.2	Very low	42.1	Very low	164 Å²	164	127.8 Å²	127.8	86%	0.859	76%	0.758	S	S	*	*			cis	-130.1	171.1	10.2	-85.3	-179.1	0	0	0	116.2
361	R	36.4	Very low	42.9	Very low	232 Å²	232	128.3 Å²	128.3	88%	0.875	76%	0.761	S	S	*	*			trans	-87.6	-174.2	-172.4	-96.9	-177	152.7	177.7	-6.5	115.3
362	P	47	Very low	42.9	Very low	111 Å²	111	131 Å²	131	72%	0.721	78%	0.778	S	S	*	*			cis	-142.6	-138.5	-39.4	47.4	-26.4	0	0	0	114.2
363	P	57.5	Low	42.9	Very low	114 Å²	114	127.9 Å²	127.9	74%	0.74	77%	0.772	S	S	*	*			trans	-140.9	-172.5	-130.5	42.1	-16.3	0	0	0	119.2
364	V	29.3	Very low	43.2	Very low	138 Å²	138	129 Å²	129	84%	0.836	78%	0.778	S	S	*	*			trans	-144.8	142.2	154.2	-179.2	0	0	0	0	109.4
365	P	41.6	Very low	43.7	Very low	117 Å²	117	129 Å²	129	76%	0.76	78%	0.78	S	S	*	*			trans	-99.1	176.7	-173	38.9	-36.5	0	0	0	116.2
366	P	64.4	Low	44.6	Very low	117 Å²	117	128.1 Å²	128.1	76%	0.76	77%	0.774	S	S	*	*			trans	-115.3	174.3	-168.2	43.1	-34.7	0	0	0	116.4
367	P	38.9	Very low	43.8	Very low	135 Å²	135	129.8 Å²	129.8	88%	0.877	78%	0.782	S	S	*	*			trans	-124.7	-178.8	137.9	38.4	-27.7	0	0	0	110.8
368	G	33.1	Very low	43.3	Very low	68 Å²	68	130.4 Å²	130.4	70%	0.701	78%	0.783	S	S	*	*			cis	-177.6	-175.1	4.9	0	0	0	0	0	110.6
369	P	48	Very low	43	Very low	118 Å²	118	128.1 Å²	128.1	77%	0.766	78%	0.784	S	S	*	*			trans	-123.3	155.1	-157.8	40.4	-28.6	0	0	0	119.3
370	L	29.6	Very low	43.8	Very low	169 Å²	169	127.4 Å²	127.4	89%	0.885	79%	0.787	S	S	*	*			trans	77.8	-141.1	153.8	-60.2	165.9	0	0	0	120.3
371	P	56.8	Low	44.7	Very low	114 Å²	114	125 Å²	125	74%	0.74	78%	0.781	S	S	*	*				-112.6	-171.4	-119	36.8	-20.3	0	0	0	115.4
372	P	51	Low	45.9	Very low	122 Å²	122	119.6 Å²	119.6	79%	0.792	78%	0.776	S	S	*	*			cis	-111.9	-121	-1.3	35.6	-17.2	0	0	0	116.4
373	S	30.9	Very low	46.2	Very low	103 Å²	103	120.1 Å²	120.1	72%	0.72	78%	0.779	S	S	*	*			cis	-154.2	-179.8	27.6	-59	0	0	0	0	114.5
374	L	39.8	Very low	44.9	Very low	166 Å²	166	122.3 Å²	122.3	87%	0.869	78%	0.784	S	S	*	*			trans	-145.5	174.1	177	-84.3	178.9	0	0	0	109.5
375	P	53.2	Low	45.9	Very low	114 Å²	114	121 Å²	121	74%	0.74	78%	0.779	S	S	*	*			cis	-149.6	-156.2	42.6	39.7	-12.6	0	0	0	115.8
376	P	62.8	Low	46.4	Very low	105 Å²	105	120.5 Å²	120.5	68%	0.682	78%	0.775	S	S	*	*				-139.9	-173	-66.7	44.2	-27.7	0	0	0	116.7
377	V	37.9	Very low	44.9	Very low	135 Å²	135	122.7 Å²	122.7	82%	0.818	78%	0.779	S	S	*	*			trans	71.4	144	151	161.5	0	0	0	0	117.9
378	T	37.1	Very low	44.6	Very low	138 Å²	138	124.5 Å²	124.5	85%	0.847	78%	0.776	S	S	*	*			cis	-114.3	176.3	1.3	36.4	0	0	0	0	113.4
379	G	36.1	Very low	45.4	Very low	69 Å²	69	126.1 Å²	126.1	71%	0.711	77%	0.774	S	S	*	*			trans	-133.4	-150	167.7	0	0	0	0	0	111.2
380	P	54	Low	44.6	Very low	126 Å²	126	126.2 Å²	126.2	82%	0.818	78%	0.778	S	S	*	*			cis	-117.2	-135.4	-9	43.1	-26.8	0	0	0	109.4
381	P	52.1	Low	44.7	Very low	114 Å²	114	121.9 Å²	121.9	74%	0.74	77%	0.774	S	S	*	*			cis	-125.7	175.5	-32.9	39.3	-24	0	0	0	114.8
382	P	62.4	Low	43.6	Very low	119 Å²	119	124.5 Å²	124.5	77%	0.773	78%	0.778	S	S	*	*			trans	-127.2	134.1	178.2	37.4	-22	0	0	0	117.3
383	P	53.6	Low	43.1	Very low	122 Å²	122	126 Å²	126	79%	0.792	78%	0.779	S	S	*	*			trans	-102	162.4	168.9	38	-32.9	0	0	0	114.1
384	L	30.5	Very low	43.1	Very low	160 Å²	160	125.6 Å²	125.6	84%	0.838	78%	0.782	S	S	*	*			trans	-142.1	-146.2	-173.1	-65.8	175.3	0	0	0	115.1
385	P	50.8	Low	43.4	Very low	111 Å²	111	122.7 Å²	122.7	72%	0.721	77%	0.774	S	S	*	*				-122.4	-148.2	-108.3	44.2	-24.7	0	0	0	112.2
386	P	52.1	Low	43.5	Very low	106 Å²	106	122.5 Å²	122.5	69%	0.688	77%	0.772	S	S	*	*			cis	-138.7	-160.6	-9	30.2	-3	0	0	0	115.9
387	L	32.3	Very low	42	Very low	162 Å²	162	124.7 Å²	124.7	85%	0.848	78%	0.778	S	S	*	*			trans	102.9	164	155.4	-55.5	-174.8	0	0	0	121.2
388	Q	31.9	Very low	41.9	Very low	174 Å²	174	123.9 Å²	123.9	81%	0.813	78%	0.779	S	S	*	*			trans	-131.5	-163.4	-156.5	-25.9	164	-100.6	0	0	110.8
389	P	50.9	Low	41.7	Very low	101 Å²	101	120.9 Å²	120.9	66%	0.656	77%	0.768	S	S	*	*			cis	-132.4	-168.3	-34.7	31.5	-10.7	0	0	0	113
390	S	31	Very low	41.6	Very low	121 Å²	121	122.9 Å²	122.9	85%	0.846	77%	0.767	S	S	*	*			trans	82.3	141.6	151.2	-53.8	0	0	0	0	120
391	G	30.7	Very low	40.8	Very low	77 Å²	77	121 Å²	121	79%	0.794	76%	0.756	S	S	*	*			trans	157.6	132.5	168.9	0	0	0	0	0	114.1
392	M	33.7	Very low	40.1	Very low	170 Å²	170	118.6 Å²	118.6	84%	0.837	74%	0.742	S	S	*	*			trans	-81	162.1	-178.4	-111.8	68.9	76	0	0	114.1
393	D	41.2	Very low	38.9	Very low	152 Å²	152	118.5 Å²	118.5	81%	0.813	74%	0.739	S	S	*	*			trans	48.3	116.9	148.9	-62.7	-56.7	0	0	0	121.9
394	A	31.1	Very low	38.8	Very low	95 Å²	95	117.5 Å²	117.5	79%	0.785	73%	0.732	S	S	*	*			trans	-163.6	161.5	161.9	0	0	0	0	0	110.7
395	P	45.2	Very low	39	Very low	106 Å²	106	115.7 Å²	115.7	69%	0.688	73%	0.728	S	S	*	*			cis	-130.7	177.8	-40.8	36.7	-20.7	0	0	0	111.7
396	P	56.3	Low	38.2	Very low	109 Å²	109	117.1 Å²	117.1	71%	0.708	74%	0.735	S	S	*	*			trans	-73.9	-174.5	166.6	34.3	-38.8	0	0	0	111.8
397	N	32.2	Very low	37.1	Very low	152 Å²	152	118.3 Å²	118.3	81%	0.813	74%	0.74	S	S	*	*			trans	179.5	166	130.7	-90	-28.5	0	0	0	114
398	S	34.1	Very low	37	Very low	118 Å²	118	116.5 Å²	116.5	83%	0.825	74%	0.735	S	S	*	*			trans	-138.7	169	178.1	-63	0	0	0	0	111.5
399	A	32.9	Very low	37.1	Very low	75 Å²	75	114.1 Å²	114.1	62%	0.62	73%	0.733	S	S	*	*			trans	68.4	98.5	153	0	0	0	0	0	121.5
400	T	35.1	Very low	36.4	Very low	111 Å²	111	112 Å²	112	68%	0.681	73%	0.729	S	S	*	*				46	135.1	118	59.6	0	0	0	0	123.7
401	S	36	Very low	36.6	Very low	85 Å²	85	114 Å²	114	59%	0.594	73%	0.729	S	S	*	*			trans	64.2	163.9	135.2	-142.5	0	0	0	0	119.1
402	S	37.7	Very low	36.5	Very low	64 Å²	64	118.1 Å²	118.1	45%	0.448	73%	0.727	S	S	.	*			cis	-152.3	-172.9	17.9	-54.3	0	0	0	0	114.2	L714	S402-L714 PolarHBondContact OG-O 2.58Å
403	V	38	Very low	36.6	Very low	118 Å²	118	113 Å²	113	72%	0.715	70%	0.701	S	S	*	*			trans	-114.7	168.1	-178.6	-151.5	0	0	0	0	113.2	L714	V403-L714 WeakPolarHBondContact O-CD1 3.26Å
404	P	51.4	Low	35.9	Very low	100 Å²	100	112.1 Å²	112.1	65%	0.649	69%	0.692	S	S	*	*			trans	-138.2	178.2	156.4	41.9	-27.4	0	0	0	114
405	T	34.8	Very low	36.9	Very low	123 Å²	123	112.1 Å²	112.1	76%	0.755	68%	0.684	S	S	*	*			cis	-172.6	-175.6	-23.2	36.1	0	0	0	0	109.7
406	V	34.1	Very low	37.5	Very low	140 Å²	140	112.6 Å²	112.6	85%	0.848	69%	0.687	S	S	*	*			trans	100.5	150.4	165.1	-173.4	0	0	0	0	118.2
407	V	28.3	Very low	37.4	Very low	131 Å²	131	113.2 Å²	113.2	79%	0.794	69%	0.691	S	S	*	*			trans	-165.1	166.1	-172.1	117.9	0	0	0	0	114.1
408	T	31	Very low	37.4	Very low	124 Å²	124	110.3 Å²	110.3	76%	0.761	69%	0.688	S	S	*	*			trans	73.5	159.7	167.3	-137.1	0	0	0	0	118.8
409	T	34.6	Very low	38.3	Very low	124 Å²	124	110.4 Å²	110.4	76%	0.761	69%	0.686	S	S	*	*			cis	-146.2	173.7	7.8	20.5	0	0	0	0	109.2
410	G	34.6	Very low	39.4	Very low	56 Å²	56	112 Å²	112	58%	0.577	69%	0.69	S	S	*	*			cis	129.2	153.3	1.7	0	0	0	0	0	115.8
411	I	35.3	Very low	39.4	Very low	165 Å²	165	111.4 Å²	111.4	85%	0.846	69%	0.691	S	S	*	*			trans	100.2	117.5	166.7	-59.3	167.4	0	0	0	120.5
412	H	28.9	Very low	39.4	Very low	162 Å²	162	114 Å²	114	75%	0.75	70%	0.697	S	S	*	*			trans	82.6	164.6	153.9	-120	-95.8	0	0	0	124.4
413	H	35	Very low	39.1	Very low	64 Å²	64	119 Å²	119	30%	0.296	71%	0.711	S	S	.	*			trans	-123.4	171.5	-136.1	-54.3	-59.9	0	0	0	120.8	D996 E997	H413-D996 IonicContact CD2-OD1 3.46Å; H413-D996 PolarHBondContact CD2-OD1 2.92Å; H413-D996 IonicContact CD2-OD2 3.66Å; H413-D996 PolarHBondContact CD2-OD2 2.65Å; H413-D996 VanDerWaalsContact CE1-CG 3.49Å; H413-D996 IonicContact CE1-OD1 2.82Å; H413-D996 PolarHBondContact CE1-OD1 3.49Å; H413-D996 IonicContact CE1-OD2 3.58Å; H413-D996 VanDerWaalsContact CG-CG 3.4Å; H413-D996 IonicContact CG-OD1 3.88Å; H413-D996 IonicContact CG-OD2 3.05Å; H413-D996 IonicContact ND1-OD1 2.94Å; H413-D996 PolarHBondContact ND1-OD1 3.38Å; H413-D996 VanDerWaalsContact ND1-OD1 3.1Å; H413-D996 IonicContact NE2-OD1 2.95Å; H413-D996 IonicContact NE2-OD2 3.77Å; H413-D996 PolarHBondContact NE2-OD2 2.93Å; H413-E997 WeakPolarHBondContact CB-OE2 3.2Å; H413-E997 PolarHBondContact CE1-N 3.06Å; H413-E997 VanDerWaalsContact CE1-N 3.33Å; H413-E997 PolarHBondContact ND1-N 3.36Å; H413-E997 IonicContact ND1-OE2 2.65Å
414	Q	28.1	Very low	38.6	Very low	132 Å²	132	118.4 Å²	118.4	62%	0.617	71%	0.708	S	S	*	*			trans	71.9	165.1	149.7	-88.6	-161.8	16.3	0	0	122.4	E997	Q414-E997 WeakPolarHBondContact CA-OE2 3.29Å; Q414-E997 PolarHBondContact N-OE2 2.85Å
415	P	51	Low	37.6	Very low	95 Å²	95	117.9 Å²	117.9	62%	0.617	71%	0.712	S	S	*	*			cis	-140.1	-147.6	-28.3	39	-19	0	0	0	111.9
416	P	59	Low	37.2	Very low	116 Å²	116	117.8 Å²	117.8	75%	0.753	71%	0.711	S	S	*	*				-111.7	-140	-51.7	30.9	-8.2	0	0	0	109.2
417	P	52.9	Low	36.9	Very low	123 Å²	123	120 Å²	120	80%	0.799	71%	0.709	S	S	*	*			cis	-137	-160.7	-13.1	44.9	-24.6	0	0	0	115.9
418	A	32.5	Very low	37	Very low	90 Å²	90	120 Å²	120	74%	0.744	71%	0.709	S	S	*	*			trans	-124.6	-156	175.2	0	0	0	0	0	112
419	P	53.9	Low	37	Very low	120 Å²	120	121.4 Å²	121.4	78%	0.779	71%	0.712	S	S	*	*			cis	-148.2	-156.9	44.3	42.6	-16.4	0	0	0	114.9
420	P	55.1	Low	37.7	Very low	110 Å²	110	120.5 Å²	120.5	71%	0.714	71%	0.708	S	S	*	*				-139.4	-164	-83.5	44.3	-25.7	0	0	0	116.5
421	S	35.9	Very low	37.4	Very low	98 Å²	98	124.4 Å²	124.4	69%	0.685	72%	0.716	S	S	*	*			trans	87.8	141.5	145.6	-72.4	0	0	0	0	122.2
422	L	35.6	Very low	37.2	Very low	138 Å²	138	122 Å²	122	72%	0.723	71%	0.709	S	S	*	*			cis	-158.2	153	-13.3	-88.2	-164.7	0	0	0	112.2
423	F	31.1	Very low	37.3	Very low	169 Å²	169	124.5 Å²	124.5	74%	0.741	71%	0.713	S	S	*	*			trans	75.5	116.3	134.5	-86.5	-136.5	0	0	0	126.3
424	T	27.4	Very low	37.1	Very low	107 Å²	107	128 Å²	128	66%	0.656	73%	0.734	S	S	*	*				80.7	109.4	108.8	-56.8	0	0	0	0	123.6
425	A	30.3	Very low	37.3	Very low	89 Å²	89	126.6 Å²	126.6	74%	0.736	74%	0.735	S	S	*	*				54.8	164.5	119.6	0	0	0	0	0	121.4
426	V	27	Very low	36.5	Very low	121 Å²	121	129.2 Å²	129.2	73%	0.733	74%	0.744	S	S	*	*			cis	-163.6	149.9	-11	108.9	0	0	0	0	110.8
427	F	27	Very low	35.4	Very low	185 Å²	185	127.6 Å²	127.6	81%	0.811	75%	0.748	S	S	*	*			trans	68.1	141.6	156.1	-86.9	-139.6	0	0	0	124.6
428	V	30.3	Very low	34.6	Very low	131 Å²	131	132.5 Å²	132.5	79%	0.794	75%	0.752	S	S	*	*			trans	87.8	134.1	137.9	166.3	0	0	0	0	122.2
429	L	31.5	Very low	34.8	Very low	155 Å²	155	133.9 Å²	133.9	81%	0.812	75%	0.747	S	S	*	*			trans	-102.3	170.3	172.1	-88.1	164	0	0	0	109.2
430	P	49.9	Very low	34.3	Very low	105 Å²	105	133.7 Å²	133.7	68%	0.682	75%	0.746	S	S	*	*			cis	-147.5	-172.3	30.4	39.5	-16.3	0	0	0	117.8
431	D	28.5	Very low	33.2	Very low	138 Å²	138	137.1 Å²	137.1	74%	0.738	75%	0.752	S	S	*	*			trans	97.9	142.9	134.6	-98.5	-36.7	0	0	0	124.8
432	T	30.3	Very low	33.2	Very low	115 Å²	115	136.7 Å²	136.7	71%	0.706	75%	0.754	S	S	*	*			trans	74.7	111.6	160.5	55.8	0	0	0	0	123.5
433	Y	30.6	Very low	33.4	Very low	213 Å²	213	136.2 Å²	136.2	84%	0.835	76%	0.759	S	S	*	*				86.6	130.5	126.5	-98	-100.8	0	0	0	125.6
434	D	30.8	Very low	33.5	Very low	137 Å²	137	133.2 Å²	133.2	73%	0.733	76%	0.759	S	S	*	*			trans	79.2	171.4	145.3	-115.2	-52.5	0	0	0	123.8
435	T	32.6	Very low	34	Very low	104 Å²	104	135.3 Å²	135.3	64%	0.638	77%	0.765	S	S	*	*			trans	-111.4	176.3	-142.4	-160.6	0	0	0	0	117
436	D	34.3	Very low	34.1	Very low	150 Å²	150	136.7 Å²	136.7	80%	0.802	76%	0.764	S	S	*	*			trans	65.9	109.5	162.5	-65.4	5	0	0	0	118
437	G	35	Very low	34.2	Very low	82 Å²	82	137.3 Å²	137.3	85%	0.845	76%	0.764	S	S	*	*			trans	-160	87.1	179.5	0	0	0	0	0	113.7
438	Y	36.6	Very low	34.5	Very low	225 Å²	225	134.3 Å²	134.3	88%	0.882	76%	0.761	S	S	*	*			trans	-61	147.8	-175.7	-171.7	-93.3	0	0	0	114.7	P440	Y438-P440 WeakPolarHBondContact O-CD 3.45Å
439	N	38	Very low	34.5	Very low	119 Å²	119	132.7 Å²	132.7	64%	0.636	76%	0.755	S	S	*	*			trans	-53	122.4	-174.1	176.4	40.8	0	0	0	115.7
440	P	42.3	Very low	34.8	Very low	116 Å²	116	136.7 Å²	136.7	75%	0.753	76%	0.76	S	S	*	*			trans	-104.9	97.2	174.4	36.4	-28.5	0	0	0	113.7	Y438 A442	Y438-P440 WeakPolarHBondContact O-CD 3.45Å; P440-A442 PolarHBondContact O-N 3.3Å
441	E	33.1	Very low	34.9	Very low	183 Å²	183	136.5 Å²	136.5	86%	0.855	76%	0.758	S	S	*	*			trans	-83	103.3	165.6	-78.3	-160.7	132.7	0	0	111.6
442	A	35.1	Very low	34.9	Very low	88 Å²	88	138 Å²	138	73%	0.727	76%	0.763	S	S	*	*			trans	-157.9	106.9	166.3	0	0	0	0	0	114.1	P440	P440-A442 PolarHBondContact O-N 3.3Å
443	P	40.8	Very low	34.8	Very low	128 Å²	128	142.5 Å²	142.5	83%	0.831	77%	0.769	S	S	*	*			trans	-99.9	126.3	158.6	33.5	-26.9	0	0	0	111.4
444	S	31.3	Very low	34.7	Very low	106 Å²	106	142.5 Å²	142.5	74%	0.741	77%	0.767	S	S	*	*			trans	-120	160.8	164.8	-55.4	0	0	0	0	107.6
445	I	38.5	Very low	34.9	Very low	151 Å²	151	142.5 Å²	142.5	77%	0.774	76%	0.762	S	S	*	*			cis	-160.6	177.9	36.8	31.1	166.6	0	0	0	111.2
446	T	33.8	Very low	35	Very low	118 Å²	118	147.3 Å²	147.3	72%	0.724	77%	0.769	S	S	*	*			trans	89.4	138.8	159.7	78.9	0	0	0	0	117.5
447	N	29	Very low	35	Very low	135 Å²	135	145.7 Å²	145.7	72%	0.722	76%	0.764	S	S	*	*			cis	-152.7	145.9	-9.4	-135.8	-34.1	0	0	0	111.9
448	T	31.7	Very low	34.9	Very low	122 Å²	122	150 Å²	150	75%	0.748	76%	0.762	S	S	*	*			trans	28.7	129.5	137.3	-60.2	0	0	0	0	119.5
449	S	30.6	Very low	34.8	Very low	97 Å²	97	143.1 Å²	143.1	68%	0.678	75%	0.752	S	S	*	*			cis	-165.9	148.2	26.3	51.6	0	0	0	0	117.8
450	R	38.1	Very low	34.5	Very low	239 Å²	239	145.9 Å²	145.9	90%	0.902	76%	0.761	S	S	*	*			trans	72.9	156.1	137.8	-78	-176.4	-175.9	-93	-3	121.1
451	P	51.5	Low	34.1	Very low	101 Å²	101	151.9 Å²	151.9	66%	0.656	77%	0.768	S	S	*	*				-142.9	-160	-128.4	44.5	-23.7	0	0	0	117.8
452	M	29.2	Very low	34.8	Very low	169 Å²	169	147.7 Å²	147.7	83%	0.833	76%	0.757	S	S	*	*			trans	86.7	156.4	173.6	-50.8	-154.1	-174	0	0	115.5
453	Y	27.9	Very low	35.1	Very low	210 Å²	210	150.5 Å²	150.5	82%	0.824	76%	0.76	S	S	*	*			cis	-143.9	-155.8	19.5	-165	-111.4	0	0	0	113.2
454	R	29.6	Very low	35.1	Very low	213 Å²	213	151 Å²	151	80%	0.804	76%	0.755	S	S	*	*			trans	-136.2	-174.1	-172.1	-50.4	176	177.2	159.9	-2.9	110.5
455	H	34.2	Very low	35.4	Very low	137 Å²	137	153.1 Å²	153.1	63%	0.634	76%	0.756	S	S	*	*			cis	-166	151.6	6.5	-160.7	33.3	0	0	0	111.3
456	R	34.8	Very low	35.1	Very low	204 Å²	204	149.1 Å²	149.1	77%	0.77	75%	0.752	S	S	*	*			trans	60.7	-178.2	164.1	-70.9	173	172.8	151.7	-0.7	115.7
457	V	34.5	Very low	35.2	Very low	117 Å²	117	150.6 Å²	150.6	71%	0.709	76%	0.755	S	S	*	*			cis	-151.8	154.9	8.6	-138.9	0	0	0	0	113.9
458	H	32.4	Very low	35.4	Very low	173 Å²	173	149.4 Å²	149.4	80%	0.801	75%	0.753	S	S	*	*			trans	56.3	140.6	138.2	-110.2	-94.7	0	0	0	126.2
459	A	34.1	Very low	35.4	Very low	80 Å²	80	149.2 Å²	149.2	66%	0.661	76%	0.757	S	S	*	*			trans	64.6	162	140.1	0	0	0	0	0	121.6
460	Q	33.3	Very low	35.5	Very low	177 Å²	177	148.1 Å²	148.1	83%	0.827	76%	0.76	S	S	*	*			cis	179.3	137	-27	175.9	-174.6	14.8	0	0	108.5
461	R	32.1	Very low	35.2	Very low	242 Å²	242	143.7 Å²	143.7	91%	0.913	76%	0.755	S	S	*	*			trans	-174.9	161.2	153.4	-103.3	154.1	-172.9	-109.2	-4	111.7
462	P	49.5	Very low	34.4	Very low	95 Å²	95	146 Å²	146	62%	0.617	76%	0.758	S	S	*	*			trans	-137.4	179.5	-138.3	46.1	-31.2	0	0	0	118.2
463	N	41.1	Very low	34.6	Very low	146 Å²	146	145 Å²	145	78%	0.781	76%	0.756	S	S	*	*			trans	73.4	152.3	162.5	-55	-17.6	0	0	0	116.1
464	L	39.4	Very low	34.9	Very low	140 Å²	140	142 Å²	142	73%	0.733	75%	0.754	S	S	*	*			cis	-156.1	140.3	9.5	-164.5	60.9	0	0	0	112.3
465	I	37.4	Very low	36.2	Very low	149 Å²	149	137 Å²	137	76%	0.764	75%	0.749	S	S	*	*			trans	46.5	139.3	152.8	-65.3	170	0	0	0	119.5
466	G	34	Very low	37.2	Very low	68 Å²	68	135.6 Å²	135.6	70%	0.701	75%	0.752	S	S	*	*			cis	-179.8	-171.6	5.6	0	0	0	0	0	109.5
467	L	36	Very low	37	Very low	148 Å²	148	136.5 Å²	136.5	78%	0.775	76%	0.755	S	S	*	*			cis	-163.5	149.1	-0.9	-107.3	168.2	0	0	0	109.2
468	T	32	Very low	36.7	Very low	111 Å²	111	138 Å²	138	68%	0.681	76%	0.755	S	S	*	*			trans	38.1	123.6	151.6	51.6	0	0	0	0	121.7
469	S	32.5	Very low	36.7	Very low	118 Å²	118	139 Å²	139	83%	0.825	76%	0.757	S	S	*	*				57	143.2	71.6	74.1	0	0	0	0	115.6
470	G	31.4	Very low	37.8	Very low	73 Å²	73	140.6 Å²	140.6	75%	0.753	76%	0.761	S	S	*	*			cis	-144.6	-179.9	-4.1	0	0	0	0	0	108.6
471	D	32.6	Very low	38.4	Very low	147 Å²	147	137.5 Å²	137.5	79%	0.786	76%	0.756	S	S	*	*			cis	102	123.2	43.7	-158.1	47	0	0	0	114.4
472	M	35	Very low	38.3	Very low	149 Å²	149	132.3 Å²	132.3	73%	0.734	75%	0.746	S	S	*	*			trans	45.7	142.9	170.3	-64.4	-54.6	100.5	0	0	127.3
473	D	32.1	Very low	37.4	Very low	147 Å²	147	136.5 Å²	136.5	79%	0.786	76%	0.755	S	S	*	*			trans	99.3	162.5	137.1	-100.9	-49.9	0	0	0	125.8
474	L	35.5	Very low	37	Very low	147 Å²	147	134.2 Å²	134.2	77%	0.77	75%	0.75	S	S	*	*			trans	-120.4	-171.6	-151.7	-74.2	170.7	0	0	0	115
475	P	56.6	Low	36.7	Very low	110 Å²	110	132.4 Å²	132.4	71%	0.714	75%	0.749	S	S	*	*			cis	-126.1	-29.8	-24.4	13.5	6.3	0	0	0	124.9
476	P	54.6	Low	36.5	Very low	107 Å²	107	129.8 Å²	129.8	70%	0.695	74%	0.735	S	S	*	*				-131	157.4	-121.2	41	-25	0	0	0	121.1
477	R	30.3	Very low	36.8	Very low	222 Å²	222	137 Å²	137	84%	0.838	74%	0.741	S	S	*	*			trans	67	143.6	162	-80.9	-171.9	107.7	121.4	-2.2	117.9
478	E	29.5	Very low	36.8	Very low	149 Å²	149	135.7 Å²	135.7	70%	0.696	73%	0.733	S	S	*	*			cis	-131.1	-160	-2.1	-69.2	-147.9	132.4	0	0	113.3
479	K	31.3	Very low	36.9	Very low	193 Å²	193	135.9 Å²	135.9	84%	0.839	74%	0.735	S	S	*	*			trans	-116.4	-173.2	-177.6	-60.8	177.9	178	174.3	0	110.3
480	P	57.3	Low	37	Very low	115 Å²	115	136 Å²	136	75%	0.747	73%	0.73	S	S	*	*			cis	-122.3	-172.3	-19.4	17.1	8.4	0	0	0	111.9
481	P	46.5	Very low	37	Very low	111 Å²	111	138.9 Å²	138.9	72%	0.721	73%	0.728	S	S	*	*			cis	-115	-130.8	0.9	29.2	-5.6	0	0	0	110.4
482	N	29.6	Very low	37.1	Very low	134 Å²	134	136.1 Å²	136.1	72%	0.717	72%	0.72	S	S	*	*			cis	-163.2	154.7	-8.1	-124.9	-13.4	0	0	0	105.3
483	K	31.5	Very low	36.9	Very low	182 Å²	182	138.2 Å²	138.2	79%	0.791	73%	0.728	S	S	*	*			cis	-141.1	-172.2	-2.8	-97.3	-159.7	176.6	-179.8	0	108.7
484	S	31.4	Very low	36.8	Very low	99 Å²	99	137.1 Å²	137.1	69%	0.692	73%	0.732	S	S	*	*			trans	-56.7	140.1	169.5	-158.9	0	0	0	0	112.7
485	S	34.5	Very low	36.8	Very low	102 Å²	102	140.9 Å²	140.9	71%	0.713	74%	0.736	S	S	*	*			cis	90.5	129.9	17.1	-167.9	0	0	0	0	117
486	M	32.6	Very low	35.8	Very low	94 Å²	94	145.9 Å²	145.9	46%	0.463	75%	0.747	S	S	.	*			trans	179	131.6	156.1	-110.1	167.6	-96.7	0	0	116	K509 T511	M486-K509 HydrophobicContact CG-CD 4.17Å; M486-K509 HydrophobicContact SD-CD 3.62Å; M486-K509 PolarHBondContact SD-NZ 3.43Å; M486-K509 VanDerWaalsContact SD-NZ 3.37Å; M486-T511 HydrophobicContact CB-CG2 3.95Å; M486-T511 PolarHBondContact O-OG1 2.91Å
487	R	40.4	Very low	34.6	Very low	219 Å²	219	150.9 Å²	150.9	83%	0.826	75%	0.751	S	S	*	*			trans	-158.2	158	160.9	-85	-168.2	-178.2	170.7	1.4	110.9	T511	R487-T511 WeakPolarHBondContact CA-OG1 3.42Å
488	I	35.3	Very low	34.5	Very low	120 Å²	120	145.8 Å²	145.8	62%	0.615	75%	0.745	S	S	*	*			trans	158.5	174.9	157.2	-77	-95.1	0	0	0	108.2	K510	I488-K510 WeakPolarHBondContact O-CA 3.26Å
489	V	35.4	Very low	34.6	Very low	116 Å²	116	146.4 Å²	146.4	70%	0.703	75%	0.752	S	S	*	*			trans	-132	178.6	-170.1	-176.7	0	0	0	0	111.7
490	V	33.4	Very low	34.4	Very low	119 Å²	119	140.4 Å²	140.4	72%	0.721	75%	0.745	S	S	*	*			trans	105	159.6	166.2	-169.3	0	0	0	0	116.3	K510	V490-K510 WeakPolarHBondContact O-CE 3.1Å; V490-K510 PolarHBondContact O-NZ 2.86Å
491	D	32.1	Very low	32.9	Very low	135 Å²	135	141.5 Å²	141.5	72%	0.722	76%	0.755	S	S	*	*			trans	-132.3	-173.6	-136.6	-143	-16.1	0	0	0	116.5
492	S	34.5	Very low	32	Very low	89 Å²	89	140 Å²	140	62%	0.622	76%	0.76	S	S	*	*			trans	86.1	106.9	160.4	-67.6	0	0	0	0	122
493	E	31.6	Very low	31.9	Very low	192 Å²	192	142.5 Å²	142.5	90%	0.897	77%	0.767	S	S	*	*			trans	60.6	149.2	131.3	-72.8	172.6	97.7	0	0	124.3
494	S	29.6	Very low	32.3	Very low	124 Å²	124	139 Å²	139	87%	0.867	76%	0.764	S	S	*	*			trans	-126.6	136.2	177.5	64.1	0	0	0	0	111.6
495	R	34.9	Very low	32.1	Very low	227 Å²	227	137.7 Å²	137.7	86%	0.857	77%	0.766	S	S	*	*			trans	-126	143.2	-178.6	-141.2	-179.1	-157	-169	9.2	110.5
496	K	35.3	Very low	32	Very low	215 Å²	215	139.5 Å²	139.5	94%	0.935	77%	0.772	S	S	*	*			trans	-118.7	120.5	162.6	-97.7	-170.9	175.2	-177.6	0	110.2
497	R	30.2	Very low	33	Very low	211 Å²	211	139.7 Å²	139.7	80%	0.796	78%	0.78	S	S	*	*			trans	-154.3	157.1	158.4	-150.4	-169.5	-70.9	-170.8	-1.4	108
498	T	28.6	Very low	32.6	Very low	115 Å²	115	134.9 Å²	134.9	71%	0.706	78%	0.775	S	S	*	*			trans	-50.7	146.3	158.5	36.8	0	0	0	0	111
499	I	30	Very low	32.6	Very low	162 Å²	162	134.8 Å²	134.8	83%	0.831	77%	0.77	S	S	*	*			cis	-150.6	147.6	10.6	-99.5	142.9	0	0	0	110
500	G	27.8	Very low	32.7	Very low	68 Å²	68	134.5 Å²	134.5	70%	0.701	76%	0.76	S	S	*	*			trans	85.2	117.9	134.3	0	0	0	0	0	123.5
501	S	26.5	Very low	32.6	Very low	138 Å²	138	132.8 Å²	132.8	97%	0.965	75%	0.75	S	S	*	*			trans	78.5	133.3	145.3	-152.5	0	0	0	0	121.7
502	G	26.2	Very low	32.5	Very low	80 Å²	80	136.3 Å²	136.3	83%	0.825	75%	0.753	S	S	*	*			trans	126.5	119.5	159.9	0	0	0	0	0	117.7
503	E	27.7	Very low	32.3	Very low	185 Å²	185	140.8 Å²	140.8	86%	0.864	76%	0.762	S	S	*	*			trans	-102	176.3	171	-117.7	-147.9	124.9	0	0	111
504	P	39.4	Very low	32.2	Very low	110 Å²	110	135.8 Å²	135.8	71%	0.714	74%	0.741	S	S	*	*				-129.3	179.8	-50.5	33.9	-15.1	0	0	0	112.8
505	G	29	Very low	32.3	Very low	71 Å²	71	137.7 Å²	137.7	73%	0.732	73%	0.734	S	S	*	*			trans	160.7	16.2	166.1	0	0	0	0	0	128.3
506	V	32.1	Very low	33.2	Very low	139 Å²	139	132 Å²	132	84%	0.842	73%	0.726	S	S	*	*			trans	28.2	139.7	138	176.4	0	0	0	0	121.4
507	P	52.4	Low	32.8	Very low	98 Å²	98	127.8 Å²	127.8	64%	0.636	71%	0.714	S	S	*	*			cis	-157.2	-172.8	-23.6	47.5	-26.3	0	0	0	120.6
508	T	32.6	Very low	32.9	Very low	119 Å²	119	125.3 Å²	125.3	73%	0.73	71%	0.709	S	S	*	*			trans	74.7	163.4	152.4	61.1	0	0	0	0	121.7
509	K	35.1	Very low	33	Very low	117 Å²	117	126.4 Å²	126.4	51%	0.509	71%	0.711	S	S	.	*			cis	-160.4	-177.3	-2.3	-124	164.1	178.6	-173	0	115.1	M486	M486-K509 HydrophobicContact CG-CD 4.17Å; M486-K509 HydrophobicContact SD-CD 3.62Å; M486-K509 PolarHBondContact SD-NZ 3.43Å; M486-K509 VanDerWaalsContact SD-NZ 3.37Å
510	K	37.9	Very low	32.8	Very low	110 Å²	110	130.6 Å²	130.6	48%	0.478	72%	0.716	S	S	.	*			trans	-148.8	159.4	-175.4	-104.7	168.4	162.9	166.3	0	116.1	I488 V490	I488-K510 WeakPolarHBondContact O-CA 3.26Å; V490-K510 WeakPolarHBondContact O-CE 3.1Å; V490-K510 PolarHBondContact O-NZ 2.86Å
511	T	31.2	Very low	33	Very low	84 Å²	84	133.1 Å²	133.1	52%	0.515	72%	0.718	S	S	.	*			trans	-153.4	163.7	164.2	41.5	0	0	0	0	114.8	M486 R487	M486-T511 HydrophobicContact CB-CG2 3.95Å; M486-T511 PolarHBondContact O-OG1 2.91Å; R487-T511 WeakPolarHBondContact CA-OG1 3.42Å
512	W	29.4	Very low	33.2	Very low	208 Å²	208	133.2 Å²	133.2	79%	0.788	71%	0.708	S	S	*	*			trans	-151.3	159.2	-169	177.9	-55.2	0	0	0	111.8
513	F	31.5	Very low	33.4	Very low	184 Å²	184	134.6 Å²	134.6	81%	0.807	70%	0.704	S	S	*	*			trans	129.3	157.2	152.8	-88.3	-95.8	0	0	0	117.3
514	D	28.7	Very low	34.1	Very low	86 Å²	86	132 Å²	132	46%	0.46	70%	0.703	S	S	.	*				-176.6	143.1	-53.6	-135.1	-5.5	0	0	0	113.2
515	K	31.3	Very low	33.5	Very low	165 Å²	165	130.4 Å²	130.4	72%	0.717	71%	0.707	S	S	*	*			trans	58.7	179.6	162.7	-79.9	75.8	165.8	-176.9	0	118.3
516	P	53.2	Low	33.7	Very low	108 Å²	108	136.8 Å²	136.8	70%	0.701	72%	0.715	S	S	*	*				-138.8	-177.2	-73.7	43.5	-25.2	0	0	0	116.1
517	N	28.2	Very low	33.8	Very low	126 Å²	126	138.9 Å²	138.9	67%	0.674	72%	0.716	S	S	*	*				140.1	144	119.4	-116.5	-15.8	0	0	0	120.8
518	F	32.1	Very low	32.8	Very low	159 Å²	159	143.7 Å²	143.7	70%	0.697	73%	0.727	S	S	*	*			trans	70.4	117.5	152.9	-71.4	-52.7	0	0	0	127.3
519	N	29.9	Very low	33	Very low	137 Å²	137	147.1 Å²	147.1	73%	0.733	73%	0.732	S	S	*	*			trans	67.3	121.4	130.2	-67.5	-21.3	0	0	0	123.8
520	R	27	Very low	33.3	Very low	251 Å²	251	145.5 Å²	145.5	95%	0.947	73%	0.731	S	S	*	*				-166.2	-177.7	109.1	-107.5	177.5	-171.6	-153	3.1	114.3
521	T	32.4	Very low	33.5	Very low	120 Å²	120	148.1 Å²	148.1	74%	0.736	75%	0.745	S	S	*	*			trans	-123.4	167.1	-155.1	51	0	0	0	0	115.6
522	N	29.5	Very low	34.4	Very low	141 Å²	141	146.7 Å²	146.7	75%	0.754	73%	0.732	S	S	*	*			trans	78.5	112	159.1	-68.9	-5.4	0	0	0	121.1
523	S	30.7	Very low	35.3	Very low	108 Å²	108	138.1 Å²	138.1	76%	0.755	71%	0.708	S	S	*	*			trans	67	158.9	133.2	-53.6	0	0	0	0	120.8
524	P	42.9	Very low	36.7	Very low	130 Å²	130	135.1 Å²	135.1	84%	0.844	70%	0.7	S	S	*	*			cis	-121.9	91.5	-45.2	32.5	-16.4	0	0	0	109.2
525	G	27.3	Very low	38.9	Very low	77 Å²	77	138 Å²	138	79%	0.794	71%	0.711	S	S	*	*			trans	-86	138.2	-171.5	0	0	0	0	0	115
526	F	32.5	Very low	41.3	Very low	205 Å²	205	131.9 Å²	131.9	90%	0.899	69%	0.687	S	S	*	*			trans	-17.5	128.7	161.2	-131.5	-105.9	0	0	0	115.1	K528	F526-K528 PolarHBondContact O-N 3.3Å; F526-K528 VanDerWaalsContact O-N 3.1Å
527	Q	34.1	Very low	43	Very low	184 Å²	184	128 Å²	128	86%	0.86	66%	0.661	S	S	*	*			trans	-61.2	118.1	172.6	-72.6	-133.3	-33	0	0	110	K529	Q527-K529 PolarHBondContact O-N 2.84Å
528	K	32	Very low	46	Very low	198 Å²	198	124.5 Å²	124.5	86%	0.861	64%	0.64	S	S	*	*			trans	-59.8	129.8	170.7	-79.2	-171.9	174.5	-176.5	0	108.8	F526 V530	F526-K528 PolarHBondContact O-N 3.3Å; F526-K528 VanDerWaalsContact O-N 3.1Å; K528-V530 PolarHBondContact O-N 2.84Å; K528-V530 VanDerWaalsContact O-N 3.11Å
529	K	36.5	Very low	48.9	Very low	192 Å²	192	116.9 Å²	116.9	84%	0.835	61%	0.606	S	S	*	*			trans	-50.8	116	175.3	-169.9	176.6	-175.5	178.9	0	109	Q527 Q531	Q527-K529 PolarHBondContact O-N 2.84Å; K529-Q531 PolarHBondContact O-N 2.76Å
530	V	40.7	Very low	51.8	Low	83 Å²	83	111.6 Å²	111.6	50%	0.503	58%	0.577	S	S	.	*			trans	-62.4	122.3	170.5	175.6	0	0	0	0	106.8	K528 F532	K528-V530 PolarHBondContact O-N 2.84Å; K528-V530 VanDerWaalsContact O-N 3.11Å; V530-F532 VanDerWaalsContact C-N 3.3Å; V530-F532 HydrophobicContact CB-CE2 4.32Å; V530-F532 HydrophobicContact CG1-CZ 4.45Å; V530-F532 WeakPolarHBondContact O-CD2 3.48Å; V530-F532 PolarHBondContact O-N 3.18Å
531	Q	42.2	Very low	54.9	Low	165 Å²	165	99.7 Å²	99.7	77%	0.771	53%	0.532	S	S	*	.			trans	-76	87.3	176.4	-167.9	74.5	13.1	0	0	107.8	K529	K529-Q531 PolarHBondContact O-N 2.76Å
532	F	51.1	Low	57.5	Low	53 Å²	53	99.2 Å²	99.2	23%	0.232	52%	0.517	C	S	.	.			trans	-59.7	141	166.9	-65.2	-79.5	0	0	0	109.2	V530 W608 R610	V530-F532 VanDerWaalsContact C-N 3.3Å; V530-F532 HydrophobicContact CB-CE2 4.32Å; V530-F532 HydrophobicContact CG1-CZ 4.45Å; V530-F532 WeakPolarHBondContact O-CD2 3.48Å; V530-F532 PolarHBondContact O-N 3.18Å; F532-W608 HydrophobicContact CD2-CB 4.43Å; F532-W608 AromaticContact CD2-CD1 3.87Å; F532-W608 HydrophobicContact CD2-CG 4.29Å; F532-W608 HydrophobicContact CE2-CB 4.27Å; F532-W608 HydrophobicContact CE2-CG 4.49Å; F532-W608 HydrophobicContact CZ-CB 4.34Å; F532-R610 HydrophobicContact CE1-CG 4.19Å; F532-R610 HydrophobicContact CZ-CG 4.5Å
533	G	47.6	Very low	60.1	Low	28 Å²	28	97.5 Å²	97.5	29%	0.289	50%	0.503	S	S	.	.			trans	-61.9	162.1	173	0	0	0	0	0	111.5	E535 Y585	G533-E535 PolarHBondContact O-N 3.22Å; G533-Y585 WeakPolarHBondContact O-CE2 3.17Å
534	N	60.3	Low	62.8	Low	121 Å²	121	92.3 Å²	92.3	65%	0.647	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	36.4	177.8	-64.5	-23.4	0	0	0	112.2	Y585	N534-Y585 VanDerWaalsContact C-CD2 3.41Å; N534-Y585 VanDerWaalsContact C-CG 3.41Å; N534-Y585 HydrophobicContact CB-CD1 3.95Å; N534-Y585 HydrophobicContact CB-CE1 3.87Å; N534-Y585 HydrophobicContact CB-CG 4.45Å; N534-Y585 WeakPolarHBondContact O-CB 3.42Å; N534-Y585 VanDerWaalsContact O-CG 3.3Å
535	E	74.4	Confident	64.7	Low	146 Å²	146	87.9 Å²	87.9	68%	0.682	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-127.5	-26.1	-165.8	68.1	-158.9	142.7	0	0	113.7	G533 T537	G533-E535 PolarHBondContact O-N 3.22Å; E535-T537 PolarHBondContact O-N 2.96Å
536	N	83.3	Confident	67	Low	38 Å²	38	88.1 Å²	88.1	20%	0.203	43%	0.425	C	S	.	.			trans	-67.5	101.4	178.7	-68.5	44	0	0	0	110.9	K538 Y585 W608 H609	N536-K538 VanDerWaalsContact C-N 3.31Å; N536-Y585 WeakPolarHBondContact O-CD2 3.36Å; N536-W608 HydrophobicContact CB-CE3 3.99Å; N536-W608 HydrophobicContact CB-CZ3 4.3Å; N536-W608 WeakPolarHBondContact O-CZ3 3.41Å; N536-H609 PolarHBondContact ND2-O 2.86Å; N536-H609 VanDerWaalsContact ND2-O 3.08Å
537	T	88.4	Confident	69.2	Low	27 Å²	27	86.7 Å²	86.7	17%	0.166	42%	0.422	C	S	.	.			trans	-89.3	3.8	172.3	82.4	0	0	0	0	113.8	E535 Q581 F582	E535-T537 PolarHBondContact O-N 2.96Å; T537-Q581 WeakPolarHBondContact OG1-CG 3.16Å; T537-F582 WeakPolarHBondContact CB-O 3.44Å; T537-F582 PolarHBondContact O-N 2.72Å; T537-F582 PolarHBondContact OG1-O 2.98Å
538	K	91.6	Very high	71.2	Confident	51 Å²	51	80.7 Å²	80.7	22%	0.222	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	130.8	-174.2	-67.5	177.3	179.5	173.9	0	113.1	N536 I580 Q581 H609 E611	N536-K538 VanDerWaalsContact C-N 3.31Å; K538-I580 CarbonylContact C-O 3.59Å; K538-I580 WeakPolarHBondContact CA-O 3.32Å; K538-Q581 VanDerWaalsContact CE-CD 3.47Å; K538-Q581 HydrophobicContact CG-CB 3.96Å; K538-Q581 HydrophobicContact CG-CG 3.77Å; K538-H609 HydrophobicContact CB-CB 3.79Å; K538-H609 WeakPolarHBondContact O-CB 3.22Å; K538-H609 PolarHBondContact O-N 2.91Å; K538-E611 WeakPolarHBondContact CD-OE1 3.27Å; K538-E611 WeakPolarHBondContact CE-OE1 3.49Å; K538-E611 IonicContact NZ-OE1 2.64Å; K538-E611 PolarHBondContact NZ-OE1 2.96Å
539	L	91.8	Very high	73.6	Confident	0 Å²	0	71.8 Å²	71.8	0%	0	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	138.5	175.3	-58.5	-175.9	0	0	0	110.7	I580 F582 A588 A591 I592 V606 Y607 W608	L539-I580 PolarHBondContact N-O 3.45Å; L539-I580 PolarHBondContact O-N 3.26Å; L539-F582 HydrophobicContact CD1-CD2 4.45Å; L539-F582 HydrophobicContact CD1-CE2 3.85Å; L539-F582 HydrophobicContact CG-CE2 4.43Å; L539-A588 HydrophobicContact CD2-CB 4.44Å; L539-A588 HydrophobicContact CG-CB 4.29Å; L539-A591 HydrophobicContact CD1-CB 3.76Å; L539-I592 HydrophobicContact CD1-CB 4.21Å; L539-I592 HydrophobicContact CD2-CB 4Å; L539-I592 HydrophobicContact CD2-CD1 4.03Å; L539-I592 HydrophobicContact CD2-CG2 4.41Å; L539-V606 HydrophobicContact CB-CG1 4.12Å; L539-V606 HydrophobicContact CD1-CG1 3.82Å; L539-V606 HydrophobicContact CD2-CG1 4.4Å; L539-V606 HydrophobicContact CG-CG1 4.36Å; L539-Y607 CarbonylContact C-O 3.6Å; L539-Y607 WeakPolarHBondContact CA-O 3.33Å; L539-W608 HydrophobicContact CD2-CD2 4.05Å; L539-W608 HydrophobicContact CD2-CE3 3.41Å; L539-W608 VanDerWaalsContact CD2-CE3 3.41Å; L539-W608 HydrophobicContact CD2-CH2 4.31Å; L539-W608 HydrophobicContact CD2-CZ3 3.54Å
540	E	91.4	Very high	76	Confident	25 Å²	25	66.6 Å²	66.6	12%	0.117	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	119.2	176.9	-173.8	-177.9	128.7	0	0	109.1	R542 Y571 L579 Y607 H609	E540-R542 IonicContact OE1-CZ 3.42Å; E540-R542 IonicContact OE1-NE 2.69Å; E540-R542 PolarHBondContact OE1-NE 3.12Å; E540-R542 IonicContact OE1-NH2 3.44Å; E540-R542 PolarHBondContact OE1-NH2 2.94Å; E540-Y571 HydrophobicContact CG-CD1 4.42Å; E540-L579 HydrophobicContact CB-CD1 4.39Å; E540-Y607 PolarHBondContact N-O 3.19Å; E540-Y607 PolarHBondContact O-N 3.22Å; E540-H609 HydrophobicContact CB-CB 4.23Å; E540-H609 IonicContact OE2-CE1 2.64Å; E540-H609 IonicContact OE2-ND1 2.63Å; E540-H609 PolarHBondContact OE2-ND1 3.39Å
541	L	91.4	Very high	78.2	Confident	1 Å²	1	67.2 Å²	67.2	1%	0.005	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	138.5	172.9	-54.2	-173.7	0	0	0	109.7	V544 L554 F558 G577 A578 I580 K605 V606	L541-V544 HydrophobicContact CB-CG2 3.76Å; L541-V544 HydrophobicContact CD1-CG2 4.16Å; L541-L554 HydrophobicContact CD1-CD1 4.49Å; L541-L554 HydrophobicContact CD1-CD2 3.69Å; L541-F558 HydrophobicContact CD1-CE2 3.6Å; L541-F558 HydrophobicContact CD1-CZ 3.9Å; L541-F558 HydrophobicContact CD2-CE2 4.35Å; L541-F558 HydrophobicContact CD2-CZ 3.77Å; L541-F558 HydrophobicContact CG-CZ 4.46Å; L541-G577 WeakPolarHBondContact O-CA 3.47Å; L541-A578 HydrophobicContact CB-CB 4.25Å; L541-A578 HydrophobicContact CD1-CB 4.29Å; L541-A578 PolarHBondContact N-O 3.39Å; L541-A578 PolarHBondContact O-N 3.11Å; L541-A578 VanDerWaalsContact O-N 3.12Å; L541-I580 HydrophobicContact CD1-CD1 3.74Å; L541-I580 HydrophobicContact CD1-CG1 4.43Å; L541-I580 HydrophobicContact CG-CD1 4.28Å; L541-K605 WeakPolarHBondContact CA-O 3.33Å; L541-V606 HydrophobicContact CD2-CB 4.15Å; L541-V606 HydrophobicContact CD2-CG1 4Å; L541-V606 HydrophobicContact CD2-CG2 3.78Å
542	R	88.1	Confident	80.4	Confident	111 Å²	111	63.3 Å²	63.3	42%	0.419	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	152	168.8	-64.6	-175.2	179.5	-123.8	-0.4	110.7	E540 V544 E576 K605 Y607	E540-R542 IonicContact OE1-CZ 3.42Å; E540-R542 IonicContact OE1-NE 2.69Å; E540-R542 PolarHBondContact OE1-NE 3.12Å; E540-R542 IonicContact OE1-NH2 3.44Å; E540-R542 PolarHBondContact OE1-NH2 2.94Å; R542-V544 VanDerWaalsContact C-N 3.32Å; R542-E576 CarbonylContact C-O 2.79Å; R542-K605 PolarHBondContact N-O 2.86Å; R542-K605 PolarHBondContact O-N 3.49Å; R542-Y607 HydrophobicContact CB-CE2 4.45Å
543	K	84.3	Confident	82.1	Confident	104 Å²	104	65.1 Å²	65.1	45%	0.452	34%	0.336	S	S	.	.			trans	67	28.6	-177.3	-35.4	-160.5	104.4	-51.2	0	114	P545 E576	K543-P545 WeakPolarHBondContact O-CD 3.31Å; K543-E576 WeakPolarHBondContact CA-OE2 3.22Å; K543-E576 PolarHBondContact N-O 3.46Å; K543-E576 IonicContact NZ-OE2 3.68Å; K543-E576 PolarHBondContact NZ-OE2 2.96Å
544	V	86.3	Confident	84	Confident	0 Å²	0	63.8 Å²	63.8	0%	0	32%	0.323	C	S	.	.			trans	-68.2	124	164.5	-169	0	0	0	0	106.9	L541 R542 L548 N549 E576 I604	L541-V544 HydrophobicContact CB-CG2 3.76Å; L541-V544 HydrophobicContact CD1-CG2 4.16Å; R542-V544 VanDerWaalsContact C-N 3.32Å; V544-L548 HydrophobicContact CG1-CB 4.35Å; V544-N549 HydrophobicContact CB-CB 4.22Å; V544-N549 HydrophobicContact CG1-CB 3.72Å; V544-E576 PolarHBondContact N-O 2.75Å; V544-E576 VanDerWaalsContact O-CA 3.23Å; V544-E576 WeakPolarHBondContact O-CA 3.44Å; V544-I604 HydrophobicContact CB-CD1 4.36Å; V544-I604 HydrophobicContact CG1-CD1 4.11Å; V544-I604 HydrophobicContact CG2-CD1 4.31Å; V544-I604 HydrophobicContact CG2-CG2 3.95Å
545	P	83	Confident	85.4	Confident	36 Å²	36	61.6 Å²	61.6	23%	0.234	31%	0.311	C	S	.	.			trans	-58.7	140.9	171.5	-24.3	35.4	0	0	0	109.9	K543 E547 L548 N549 N601	K543-P545 WeakPolarHBondContact O-CD 3.31Å; P545-E547 VanDerWaalsContact C-N 3.27Å; P545-E547 PolarHBondContact O-N 3.46Å; P545-L548 HydrophobicContact CB-CB 4.35Å; P545-L548 HydrophobicContact CB-CD1 4.39Å; P545-L548 HydrophobicContact CB-CG 4.33Å; P545-L548 HydrophobicContact CG-CD1 4.05Å; P545-L548 CarbonylContact O-C 3.56Å; P545-L548 WeakPolarHBondContact O-CA 3.47Å; P545-L548 PolarHBondContact O-N 3.11Å; P545-N549 PolarHBondContact O-N 2.91Å; P545-N601 WeakPolarHBondContact CG-ND2 3.44Å
546	P	76	Confident	86.1	Confident	82 Å²	82	59.3 Å²	59.3	53%	0.532	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	-59.7	-37.4	-174.2	22.4	-33	0	0	0	112.6	L548 N549	P546-L548 PolarHBondContact O-N 2.98Å; P546-N549 PolarHBondContact O-N 2.99Å; P546-N549 VanDerWaalsContact O-N 3.09Å
547	E	78.3	Confident	86.3	Confident	176 Å²	176	57.9 Å²	57.9	82%	0.822	29%	0.292	S	S	*	.	G	3₁₀ helix	trans	-55.8	-28.7	171.5	-63.9	158.8	-157	0	0	113.8	P545	P545-E547 VanDerWaalsContact C-N 3.27Å; P545-E547 PolarHBondContact O-N 3.46Å
548	L	75.6	Confident	86.4	Confident	57 Å²	57	56.6 Å²	56.6	30%	0.298	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-102.7	-8	-179.6	-62.9	-175.3	0	0	0	112.8	V544 P545 P546 N550 L599	V544-L548 HydrophobicContact CG1-CB 4.35Å; P545-L548 HydrophobicContact CB-CB 4.35Å; P545-L548 HydrophobicContact CB-CD1 4.39Å; P545-L548 HydrophobicContact CB-CG 4.33Å; P545-L548 HydrophobicContact CG-CD1 4.05Å; P545-L548 CarbonylContact O-C 3.56Å; P545-L548 WeakPolarHBondContact O-CA 3.47Å; P545-L548 PolarHBondContact O-N 3.11Å; P546-L548 PolarHBondContact O-N 2.98Å; L548-N550 PolarHBondContact O-N 3.45Å; L548-L599 HydrophobicContact CB-CD1 4.02Å; L548-L599 WeakPolarHBondContact O-CD1 3.49Å
549	N	83.5	Confident	86.3	Confident	11 Å²	11	56.9 Å²	56.9	6%	0.059	29%	0.293	C	S	.	.			trans	-83.3	52.8	177.7	-160.9	5.7	0	0	0	110.7	V544 P545 P546 L554 V569 P575 G577	V544-N549 HydrophobicContact CB-CB 4.22Å; V544-N549 HydrophobicContact CG1-CB 3.72Å; P545-N549 PolarHBondContact O-N 2.91Å; P546-N549 PolarHBondContact O-N 2.99Å; P546-N549 VanDerWaalsContact O-N 3.09Å; N549-L554 WeakPolarHBondContact OD1-CD1 3.28Å; N549-V569 WeakPolarHBondContact O-CG1 2.98Å; N549-V569 WeakPolarHBondContact O-CG2 3.38Å; N549-P575 PolarHBondContact ND2-O 3.43Å; N549-G577 PolarHBondContact ND2-O 2.63Å
550	N	86.9	Confident	86	Confident	83 Å²	83	64.4 Å²	64.4	44%	0.444	32%	0.321	S	S	.	.			trans	-108.3	137.3	179	-174	-39.3	0	0	0	109.5	L548 S552 K553 L554	L548-N550 PolarHBondContact O-N 3.45Å; N550-S552 PolarHBondContact O-N 3.5Å; N550-S552 PolarHBondContact OD1-N 3.18Å; N550-K553 PolarHBondContact O-N 2.98Å; N550-K553 VanDerWaalsContact O-N 3.12Å; N550-L554 PolarHBondContact O-N 2.88Å
551	I	86.9	Confident	85.9	Confident	96 Å²	96	64.7 Å²	64.7	49%	0.492	32%	0.322	S	S	.	.	H	α-helix	trans	-50.6	-45.6	178.6	-59.3	176.4	0	0	0	110.3	K553 N555 L567 V569	I551-K553 PolarHBondContact O-N 2.76Å; I551-N555 WeakPolarHBondContact O-CB 3.4Å; I551-N555 PolarHBondContact O-N 2.82Å; I551-L567 HydrophobicContact CB-CD2 4.5Å; I551-L567 HydrophobicContact CG1-CD2 4.36Å; I551-L567 HydrophobicContact CG2-CD1 4.42Å; I551-L567 HydrophobicContact CG2-CD2 4.36Å; I551-V569 HydrophobicContact CB-CG2 4.44Å; I551-V569 HydrophobicContact CG1-CB 4.22Å; I551-V569 HydrophobicContact CG1-CG2 3.59Å
552	S	87.8	Confident	85.7	Confident	83 Å²	83	65.4 Å²	65.4	58%	0.58	33%	0.33	S	S	*	.	H	α-helix	trans	-62.9	-42.7	-178.1	-57.8	0	0	0	0	112.6	N550 E556	N550-S552 PolarHBondContact O-N 3.5Å; N550-S552 PolarHBondContact OD1-N 3.18Å; S552-E556 WeakPolarHBondContact O-CB 3.36Å; S552-E556 PolarHBondContact O-N 3.03Å
553	K	87.1	Confident	85.7	Confident	92 Å²	92	64.3 Å²	64.3	40%	0.4	34%	0.335	S	S	.	.	H	α-helix	trans	-73.8	-43.7	-179.4	-75.4	-72.9	159	-159.3	0	111.8	N550 I551 N555 E556 H557 L599	N550-K553 PolarHBondContact O-N 2.98Å; N550-K553 VanDerWaalsContact O-N 3.12Å; I551-K553 PolarHBondContact O-N 2.76Å; K553-N555 VanDerWaalsContact C-N 3.3Å; K553-N555 PolarHBondContact O-N 2.97Å; K553-E556 WeakPolarHBondContact CD-OE2 3.44Å; K553-E556 WeakPolarHBondContact CE-OE2 3.32Å; K553-E556 IonicContact NZ-OE1 3.22Å; K553-E556 IonicContact NZ-OE2 3.63Å; K553-E556 PolarHBondContact NZ-OE2 3.28Å; K553-E556 PolarHBondContact O-N 3Å; K553-H557 PolarHBondContact O-N 3.02Å; K553-L599 HydrophobicContact CB-CD1 4.12Å; K553-L599 HydrophobicContact CB-CD2 4.08Å; K553-L599 WeakPolarHBondContact O-CD2 3.35Å
554	L	87.6	Confident	86	Confident	0 Å²	0	61.3 Å²	61.3	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-63.7	-37.2	174.7	-68.3	176.6	0	0	0	111.4	L541 N549 N550 H557 F558 L567 V569 A578 L599	L541-L554 HydrophobicContact CD1-CD1 4.49Å; L541-L554 HydrophobicContact CD1-CD2 3.69Å; N549-L554 WeakPolarHBondContact OD1-CD1 3.28Å; N550-L554 PolarHBondContact O-N 2.88Å; L554-H557 PolarHBondContact O-N 3.1Å; L554-F558 HydrophobicContact CD2-CD2 4.36Å; L554-F558 HydrophobicContact CD2-CE2 4.03Å; L554-F558 WeakPolarHBondContact O-CB 3.15Å; L554-F558 VanDerWaalsContact O-CD2 3.3Å; L554-F558 WeakPolarHBondContact O-CD2 3.35Å; L554-F558 PolarHBondContact O-N 2.94Å; L554-L567 HydrophobicContact CB-CD1 3.89Å; L554-L567 HydrophobicContact CB-CD2 4.26Å; L554-L567 HydrophobicContact CB-CG 4.49Å; L554-L567 HydrophobicContact CD1-CD2 4.26Å; L554-V569 HydrophobicContact CD1-CG2 4.18Å; L554-A578 HydrophobicContact CD1-CB 3.71Å; L554-L599 HydrophobicContact CD2-CD1 3.9Å
555	N	89.9	Confident	86.2	Confident	75 Å²	75	65.8 Å²	65.8	40%	0.401	35%	0.351	S	S	.	.	H	α-helix	trans	-64	-49	172.8	-173	28.9	0	0	0	111.7	I551 K553 H557 F558 S559 L567	I551-N555 WeakPolarHBondContact O-CB 3.4Å; I551-N555 PolarHBondContact O-N 2.82Å; K553-N555 VanDerWaalsContact C-N 3.3Å; K553-N555 PolarHBondContact O-N 2.97Å; N555-H557 VanDerWaalsContact C-N 3.25Å; N555-H557 PolarHBondContact O-N 3.03Å; N555-F558 PolarHBondContact O-N 3.36Å; N555-S559 WeakPolarHBondContact O-CB 3.37Å; N555-S559 PolarHBondContact O-N 3.23Å; N555-S559 PolarHBondContact O-OG 2.88Å; N555-L567 HydrophobicContact CB-CD1 4.06Å
556	E	89.8	Confident	86.3	Confident	97 Å²	97	67.9 Å²	67.9	45%	0.453	36%	0.361	S	S	.	.	H	α-helix	trans	-55.4	-36.8	177.1	-176	-171.5	163.1	0	0	113.2	S552 K553	S552-E556 WeakPolarHBondContact O-CB 3.36Å; S552-E556 PolarHBondContact O-N 3.03Å; K553-E556 WeakPolarHBondContact CD-OE2 3.44Å; K553-E556 WeakPolarHBondContact CE-OE2 3.32Å; K553-E556 IonicContact NZ-OE1 3.22Å; K553-E556 IonicContact NZ-OE2 3.63Å; K553-E556 PolarHBondContact NZ-OE2 3.28Å; K553-E556 PolarHBondContact O-N 3Å
557	H	86.5	Confident	87	Confident	8 Å²	8	65.5 Å²	65.5	4%	0.037	34%	0.343	C	S	.	.	H	α-helix	trans	-78.7	-52	175.4	-176.9	-92.9	0	0	0	112.7	K553 L554 N555 R560 F561 L599	K553-H557 PolarHBondContact O-N 3.02Å; L554-H557 PolarHBondContact O-N 3.1Å; N555-H557 VanDerWaalsContact C-N 3.25Å; N555-H557 PolarHBondContact O-N 3.03Å; H557-R560 WeakPolarHBondContact O-CB 3.24Å; H557-R560 WeakPolarHBondContact O-CG 3.42Å; H557-R560 PolarHBondContact O-N 3.42Å; H557-F561 AromaticContact NE2-CE2 3.38Å; H557-F561 WeakPolarHBondContact NE2-CE2 3.49Å; H557-F561 AromaticContact NE2-CZ 3.91Å; H557-F561 WeakPolarHBondContact O-CE2 3.44Å; H557-L599 HydrophobicContact CB-CD2 3.82Å; H557-L599 HydrophobicContact CB-CG 4.39Å
558	F	89.9	Confident	87.4	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-82.2	-21.2	-168.2	-74.8	-79.6	0	0	0	114.5	L541 L554 N555 R560 F561 L564 I580 F582 A591 V598	L541-F558 HydrophobicContact CD1-CE2 3.6Å; L541-F558 HydrophobicContact CD1-CZ 3.9Å; L541-F558 HydrophobicContact CD2-CE2 4.35Å; L541-F558 HydrophobicContact CD2-CZ 3.77Å; L541-F558 HydrophobicContact CG-CZ 4.46Å; L554-F558 HydrophobicContact CD2-CD2 4.36Å; L554-F558 HydrophobicContact CD2-CE2 4.03Å; L554-F558 WeakPolarHBondContact O-CB 3.15Å; L554-F558 VanDerWaalsContact O-CD2 3.3Å; L554-F558 WeakPolarHBondContact O-CD2 3.35Å; L554-F558 PolarHBondContact O-N 2.94Å; N555-F558 PolarHBondContact O-N 3.36Å; F558-R560 PolarHBondContact O-N 3.22Å; F558-F561 HydrophobicContact CD1-CD2 4.24Å; F558-F561 PolarHBondContact O-N 2.82Å; F558-F561 VanDerWaalsContact O-N 3.12Å; F558-L564 HydrophobicContact CB-CD1 3.99Å; F558-L564 HydrophobicContact CB-CD2 4.15Å; F558-I580 HydrophobicContact CB-CD1 4.13Å; F558-I580 HydrophobicContact CB-CG2 4.48Å; F558-I580 HydrophobicContact CD1-CD1 4.2Å; F558-I580 HydrophobicContact CD2-CD1 3.25Å; F558-I580 HydrophobicContact CE1-CD1 4.47Å; F558-I580 HydrophobicContact CE2-CD1 3.59Å; F558-I580 HydrophobicContact CG-CD1 3.58Å; F558-I580 HydrophobicContact CZ-CD1 4.19Å; F558-F582 HydrophobicContact CB-CZ 4.1Å; F558-F582 HydrophobicContact CD1-CZ 4.1Å; F558-F582 WeakPolarHBondContact O-CE1 3.2Å; F558-A591 HydrophobicContact CD1-CB 4.13Å; F558-A591 HydrophobicContact CE1-CB 4.39Å; F558-V598 HydrophobicContact CE1-CG2 4.39Å; F558-V598 HydrophobicContact CE2-CG1 3.48Å; F558-V598 VanDerWaalsContact CE2-CG1 3.48Å; F558-V598 HydrophobicContact CE2-CG2 4.4Å; F558-V598 HydrophobicContact CZ-CB 4.26Å; F558-V598 HydrophobicContact CZ-CG1 3.58Å; F558-V598 HydrophobicContact CZ-CG2 3.63Å
559	S	89.4	Confident	87.9	Confident	58 Å²	58	60.8 Å²	60.8	41%	0.406	32%	0.323	S	S	.	.	G	3₁₀ helix	trans	-59.1	-24.3	170.5	56.7	0	0	0	0	113.6	N555 F561 G562	N555-S559 WeakPolarHBondContact O-CB 3.37Å; N555-S559 PolarHBondContact O-N 3.23Å; N555-S559 PolarHBondContact O-OG 2.88Å; S559-F561 PolarHBondContact O-N 2.85Å; S559-G562 CarbonylContact C-O 3.51Å; S559-G562 WeakPolarHBondContact CA-O 3.13Å; S559-G562 PolarHBondContact O-N 3.43Å
560	R	87.3	Confident	87.8	Confident	157 Å²	157	62.1 Å²	62.1	59%	0.592	34%	0.335	S	S	*	.	G	3₁₀ helix	trans	-60.1	-28.4	174.5	-61.1	177.4	179.6	-155.3	-10.2	113.4	H557 F558 E596	H557-R560 WeakPolarHBondContact O-CB 3.24Å; H557-R560 WeakPolarHBondContact O-CG 3.42Å; H557-R560 PolarHBondContact O-N 3.42Å; F558-R560 PolarHBondContact O-N 3.22Å; R560-E596 IonicContact CZ-OE1 2.61Å; R560-E596 IonicContact NH1-OE1 3.73Å; R560-E596 PolarHBondContact NH1-OE1 3.32Å
561	F	87.6	Confident	87.4	Confident	31 Å²	31	59.7 Å²	59.7	14%	0.136	32%	0.32	C	S	.	.	G	3₁₀ helix	trans	-99.5	-12.7	-175.6	-53.6	-73.1	0	0	0	113.4	H557 F558 S559 F582 K590 A591 S594 E596	H557-F561 AromaticContact NE2-CE2 3.38Å; H557-F561 WeakPolarHBondContact NE2-CE2 3.49Å; H557-F561 AromaticContact NE2-CZ 3.91Å; H557-F561 WeakPolarHBondContact O-CE2 3.44Å; F558-F561 HydrophobicContact CD1-CD2 4.24Å; F558-F561 PolarHBondContact O-N 2.82Å; F558-F561 VanDerWaalsContact O-N 3.12Å; S559-F561 PolarHBondContact O-N 2.85Å; F561-F582 HydrophobicContact CB-CE1 4.23Å; F561-F582 HydrophobicContact CB-CZ 4.46Å; F561-K590 HydrophobicContact CB-CB 4.44Å; F561-A591 HydrophobicContact CB-CB 3.73Å; F561-A591 HydrophobicContact CD2-CB 4.09Å; F561-A591 HydrophobicContact CG-CB 3.93Å; F561-S594 VanDerWaalsContact CE1-CB 3.42Å; F561-E596 HydrophobicContact CZ-CB 4.29Å; F561-E596 WeakPolarHBondContact CZ-OE2 3.44Å
562	G	87.8	Confident	86.8	Confident	16 Å²	16	60 Å²	60	17%	0.165	32%	0.322	C	S	.	.	S	Bend	trans	162.4	-179.6	-179.7	0	0	0	0	0	114.5	S559 E587	S559-G562 CarbonylContact C-O 3.51Å; S559-G562 WeakPolarHBondContact CA-O 3.13Å; S559-G562 PolarHBondContact O-N 3.43Å; G562-E587 VanDerWaalsContact CA-OE2 3.32Å; G562-E587 WeakPolarHBondContact CA-OE2 3.36Å
563	T	87.9	Confident	85.8	Confident	88 Å²	88	59 Å²	59	54%	0.54	33%	0.326	S	S	.	.			trans	-78.6	124.8	178.1	53	0	0	0	0	111.2	F582 A583 E587	T563-F582 WeakPolarHBondContact O-CA 3.35Å; T563-A583 PolarHBondContact O-N 2.83Å; T563-A583 WeakPolarHBondContact OG1-CB 3.3Å; T563-E587 PolarHBondContact N-OE2 3.42Å; T563-E587 PolarHBondContact OG1-OE2 2.84Å
564	L	90.4	Very high	85.2	Confident	42 Å²	42	58.3 Å²	58.3	22%	0.22	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	123.3	179.5	-54.5	-172	0	0	0	110	F558 L567 I580 F582	F558-L564 HydrophobicContact CB-CD1 3.99Å; F558-L564 HydrophobicContact CB-CD2 4.15Å; L564-L567 HydrophobicContact CD1-CD1 4.01Å; L564-I580 HydrophobicContact CD1-CG2 4.42Å; L564-I580 HydrophobicContact CD2-CG2 3.69Å; L564-F582 HydrophobicContact CD2-CD1 3.59Å; L564-F582 HydrophobicContact CD2-CD2 4.35Å; L564-F582 HydrophobicContact CD2-CE1 3.31Å; L564-F582 HydrophobicContact CD2-CE2 4.09Å; L564-F582 HydrophobicContact CD2-CG 4.12Å; L564-F582 HydrophobicContact CD2-CZ 3.58Å
565	V	90.4	Very high	84.6	Confident	93 Å²	93	62.3 Å²	62.3	56%	0.564	35%	0.353	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.4	-31.6	178.4	172.1	0	0	0	0	111.4	Q581 A583	V565-Q581 HydrophobicContact CB-CG 4.49Å; V565-Q581 PolarHBondContact N-O 2.64Å; V565-A583 HydrophobicContact CG2-CB 3.78Å
566	N	86.6	Confident	84.2	Confident	81 Å²	81	63.2 Å²	63.2	43%	0.433	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	139.9	175.4	-164.8	-65.4	0	0	0	109.7	Q581	N566-Q581 HydrophobicContact CB-CB 3.91Å; N566-Q581 PolarHBondContact N-O 3.01Å; N566-Q581 PolarHBondContact O-N 3.06Å
567	L	90.4	Very high	84.1	Confident	31 Å²	31	58.8 Å²	58.8	16%	0.162	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	112	176.3	-167.6	172	0	0	0	107.8	I551 L554 N555 L564 V569 L579 I580	I551-L567 HydrophobicContact CB-CD2 4.5Å; I551-L567 HydrophobicContact CG1-CD2 4.36Å; I551-L567 HydrophobicContact CG2-CD1 4.42Å; I551-L567 HydrophobicContact CG2-CD2 4.36Å; L554-L567 HydrophobicContact CB-CD1 3.89Å; L554-L567 HydrophobicContact CB-CD2 4.26Å; L554-L567 HydrophobicContact CB-CG 4.49Å; L554-L567 HydrophobicContact CD1-CD2 4.26Å; N555-L567 HydrophobicContact CB-CD1 4.06Å; L564-L567 HydrophobicContact CD1-CD1 4.01Å; L567-V569 HydrophobicContact CD2-CG2 4.06Å; L567-L579 WeakPolarHBondContact CA-O 3.4Å; L567-I580 HydrophobicContact CG-CG1 4.35Å
568	Q	86	Confident	84.3	Confident	91 Å²	91	58.4 Å²	58.4	43%	0.425	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	107.3	178.6	-172.9	175.1	8.1	0	0	110.2	Y571 A578 L579	Q568-Y571 HydrophobicContact CG-CD2 4.44Å; Q568-A578 CarbonylContact O-C 3.57Å; Q568-A578 VanDerWaalsContact O-CA 3.24Å; Q568-A578 WeakPolarHBondContact O-CA 3.23Å; Q568-L579 HydrophobicContact CB-CB 4.35Å; Q568-L579 PolarHBondContact N-O 2.6Å; Q568-L579 PolarHBondContact O-N 3.19Å
569	V	86.5	Confident	84.3	Confident	44 Å²	44	59 Å²	59	27%	0.267	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	154.3	165	159.8	0	0	0	0	110.3	N549 I551 L554 L567 Y571	N549-V569 WeakPolarHBondContact O-CG1 2.98Å; N549-V569 WeakPolarHBondContact O-CG2 3.38Å; I551-V569 HydrophobicContact CB-CG2 4.44Å; I551-V569 HydrophobicContact CG1-CB 4.22Å; I551-V569 HydrophobicContact CG1-CG2 3.59Å; L554-V569 HydrophobicContact CD1-CG2 4.18Å; L567-V569 HydrophobicContact CD2-CG2 4.06Å; V569-Y571 VanDerWaalsContact C-N 3.31Å; V569-Y571 PolarHBondContact O-N 3.47Å
570	A	81	Confident	84.5	Confident	39 Å²	39	56.2 Å²	56.2	32%	0.322	32%	0.317	S	S	.	.	S	Bend	trans	52.3	43.4	179.6	0	0	0	0	0	113.8	N572 G573 D574 G577	A570-N572 PolarHBondContact O-N 3.43Å; A570-G573 WeakPolarHBondContact O-CA 3.33Å; A570-G573 PolarHBondContact O-N 2.88Å; A570-D574 CarbonylContact C-O 3.6Å; A570-D574 WeakPolarHBondContact CA-O 3.45Å; A570-G577 VanDerWaalsContact CA-O 3.26Å; A570-G577 WeakPolarHBondContact CA-O 3.46Å; A570-G577 PolarHBondContact N-O 2.89Å
571	Y	79.3	Confident	84.7	Confident	31 Å²	31	51.3 Å²	51.3	12%	0.122	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-59.3	136.8	-175.4	-177.2	-116.8	0	0	0	112.1	E540 Q568 V569 G573 D574 G577 L579 H609	E540-Y571 HydrophobicContact CG-CD1 4.42Å; Q568-Y571 HydrophobicContact CG-CD2 4.44Å; V569-Y571 VanDerWaalsContact C-N 3.31Å; V569-Y571 PolarHBondContact O-N 3.47Å; Y571-G573 PolarHBondContact O-N 3.38Å; Y571-G573 VanDerWaalsContact O-N 3.15Å; Y571-D574 PolarHBondContact O-N 3.25Å; Y571-D574 VanDerWaalsContact O-N 3.16Å; Y571-G577 PolarHBondContact N-O 3.5Å; Y571-G577 VanDerWaalsContact N-O 3.09Å; Y571-L579 HydrophobicContact CD1-CB 4.1Å; Y571-L579 HydrophobicContact CD2-CB 3.72Å; Y571-L579 HydrophobicContact CD2-CD2 4.15Å; Y571-L579 HydrophobicContact CD2-CG 4.48Å; Y571-L579 HydrophobicContact CE1-CD1 4.29Å; Y571-L579 HydrophobicContact CE2-CB 4.19Å; Y571-L579 HydrophobicContact CE2-CD2 3.79Å; Y571-L579 HydrophobicContact CE2-CG 4.48Å; Y571-L579 HydrophobicContact CG-CB 3.7Å; Y571-H609 AromaticContact CE1-CE1 3.95Å; Y571-H609 AromaticContact CZ-CE1 3.91Å; Y571-H609 PolarHBondContact OH-CE1 2.86Å
572	N	72.5	Confident	85	Confident	102 Å²	102	49.9 Å²	49.9	55%	0.545	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	56.1	14.3	-170.2	-62.6	-30.3	0	0	0	115.7	A570 D574	A570-N572 PolarHBondContact O-N 3.43Å; N572-D574 VanDerWaalsContact C-N 3.28Å
573	G	68.7	Low	85.1	Confident	63 Å²	63	51.6 Å²	51.6	65%	0.649	31%	0.306	S	S	*	.	G	3₁₀ helix	trans	80	4.5	-174.4	0	0	0	0	0	114.3	A570 Y571 P575	A570-G573 WeakPolarHBondContact O-CA 3.33Å; A570-G573 PolarHBondContact O-N 2.88Å; Y571-G573 PolarHBondContact O-N 3.38Å; Y571-G573 VanDerWaalsContact O-N 3.15Å; G573-P575 VanDerWaalsContact O-CD 3.23Å; G573-P575 WeakPolarHBondContact O-CD 3.48Å
574	D	74.6	Confident	85.2	Confident	78 Å²	78	50 Å²	50	42%	0.417	30%	0.297	S	S	.	.			trans	-76.7	111.7	167.3	-79.9	-33.1	0	0	0	108.4	A570 Y571 N572 E576 G577	A570-D574 CarbonylContact C-O 3.6Å; A570-D574 WeakPolarHBondContact CA-O 3.45Å; Y571-D574 PolarHBondContact O-N 3.25Å; Y571-D574 VanDerWaalsContact O-N 3.16Å; N572-D574 VanDerWaalsContact C-N 3.28Å; D574-E576 PolarHBondContact O-N 3.39Å; D574-E576 VanDerWaalsContact O-N 3.14Å; D574-G577 WeakPolarHBondContact O-CA 3.35Å; D574-G577 PolarHBondContact O-N 2.97Å
575	P	74.1	Confident	85.2	Confident	84 Å²	84	49.7 Å²	49.7	55%	0.545	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-12.1	175.7	29.2	-35.9	0	0	0	112.8	N549 G573	N549-P575 PolarHBondContact ND2-O 3.43Å; G573-P575 VanDerWaalsContact O-CD 3.23Å; G573-P575 WeakPolarHBondContact O-CD 3.48Å
576	E	82.2	Confident	85.2	Confident	93 Å²	93	51.6 Å²	51.6	44%	0.435	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88	0.6	168.5	-70.5	-167.6	-165.2	0	0	114.2	R542 K543 V544 D574	R542-E576 CarbonylContact C-O 2.79Å; K543-E576 WeakPolarHBondContact CA-OE2 3.22Å; K543-E576 PolarHBondContact N-O 3.46Å; K543-E576 IonicContact NZ-OE2 3.68Å; K543-E576 PolarHBondContact NZ-OE2 2.96Å; V544-E576 PolarHBondContact N-O 2.75Å; V544-E576 VanDerWaalsContact O-CA 3.23Å; V544-E576 WeakPolarHBondContact O-CA 3.44Å; D574-E576 PolarHBondContact O-N 3.39Å; D574-E576 VanDerWaalsContact O-N 3.14Å
577	G	86.4	Confident	85.5	Confident	4 Å²	4	49.1 Å²	49.1	4%	0.041	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	148.1	-172.5	0	0	0	0	0	113.7	L541 N549 A570 Y571 D574	L541-G577 WeakPolarHBondContact O-CA 3.47Å; N549-G577 PolarHBondContact ND2-O 2.63Å; A570-G577 VanDerWaalsContact CA-O 3.26Å; A570-G577 WeakPolarHBondContact CA-O 3.46Å; A570-G577 PolarHBondContact N-O 2.89Å; Y571-G577 PolarHBondContact N-O 3.5Å; Y571-G577 VanDerWaalsContact N-O 3.09Å; D574-G577 WeakPolarHBondContact O-CA 3.35Å; D574-G577 PolarHBondContact O-N 2.97Å
578	A	90.2	Very high	85.5	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	151.4	170.2	0	0	0	0	0	111.4	L541 L554 Q568	L541-A578 HydrophobicContact CB-CB 4.25Å; L541-A578 HydrophobicContact CD1-CB 4.29Å; L541-A578 PolarHBondContact N-O 3.39Å; L541-A578 PolarHBondContact O-N 3.11Å; L541-A578 VanDerWaalsContact O-N 3.12Å; L554-A578 HydrophobicContact CD1-CB 3.71Å; Q568-A578 CarbonylContact O-C 3.57Å; Q568-A578 VanDerWaalsContact O-CA 3.24Å; Q568-A578 WeakPolarHBondContact O-CA 3.23Å
579	L	91.8	Very high	85.7	Confident	13 Å²	13	48.2 Å²	48.2	7%	0.068	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	132.9	174	-172.6	76.5	0	0	0	109.4	E540 L567 Q568 Y571 H609	E540-L579 HydrophobicContact CB-CD1 4.39Å; L567-L579 WeakPolarHBondContact CA-O 3.4Å; Q568-L579 HydrophobicContact CB-CB 4.35Å; Q568-L579 PolarHBondContact N-O 2.6Å; Q568-L579 PolarHBondContact O-N 3.19Å; Y571-L579 HydrophobicContact CD1-CB 4.1Å; Y571-L579 HydrophobicContact CD2-CB 3.72Å; Y571-L579 HydrophobicContact CD2-CD2 4.15Å; Y571-L579 HydrophobicContact CD2-CG 4.48Å; Y571-L579 HydrophobicContact CE1-CD1 4.29Å; Y571-L579 HydrophobicContact CE2-CB 4.19Å; Y571-L579 HydrophobicContact CE2-CD2 3.79Å; Y571-L579 HydrophobicContact CE2-CG 4.48Å; Y571-L579 HydrophobicContact CG-CB 3.7Å; L579-H609 HydrophobicContact CD1-CB 3.8Å
580	I	92.3	Very high	85.8	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	127.1	-179	-56	-170.6	0	0	0	108.8	K538 L539 L541 F558 L564 L567 F582	K538-I580 CarbonylContact C-O 3.59Å; K538-I580 WeakPolarHBondContact CA-O 3.32Å; L539-I580 PolarHBondContact N-O 3.45Å; L539-I580 PolarHBondContact O-N 3.26Å; L541-I580 HydrophobicContact CD1-CD1 3.74Å; L541-I580 HydrophobicContact CD1-CG1 4.43Å; L541-I580 HydrophobicContact CG-CD1 4.28Å; F558-I580 HydrophobicContact CB-CD1 4.13Å; F558-I580 HydrophobicContact CB-CG2 4.48Å; F558-I580 HydrophobicContact CD1-CD1 4.2Å; F558-I580 HydrophobicContact CD2-CD1 3.25Å; F558-I580 HydrophobicContact CE1-CD1 4.47Å; F558-I580 HydrophobicContact CE2-CD1 3.59Å; F558-I580 HydrophobicContact CG-CD1 3.58Å; F558-I580 HydrophobicContact CZ-CD1 4.19Å; L564-I580 HydrophobicContact CD1-CG2 4.42Å; L564-I580 HydrophobicContact CD2-CG2 3.69Å; L567-I580 HydrophobicContact CG-CG1 4.35Å; I580-F582 HydrophobicContact CG2-CD2 4.22Å; I580-F582 HydrophobicContact CG2-CE2 3.72Å; I580-F582 HydrophobicContact CG2-CZ 4.24Å
581	Q	92	Very high	86.3	Confident	54 Å²	54	49.7 Å²	49.7	25%	0.252	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	121.8	176.1	-173.7	174.3	-14.9	0	0	110.1	T537 K538 V565 N566	T537-Q581 WeakPolarHBondContact OG1-CG 3.16Å; K538-Q581 VanDerWaalsContact CE-CD 3.47Å; K538-Q581 HydrophobicContact CG-CB 3.96Å; K538-Q581 HydrophobicContact CG-CG 3.77Å; V565-Q581 HydrophobicContact CB-CG 4.49Å; V565-Q581 PolarHBondContact N-O 2.64Å; N566-Q581 HydrophobicContact CB-CB 3.91Å; N566-Q581 PolarHBondContact N-O 3.01Å; N566-Q581 PolarHBondContact O-N 3.06Å
582	F	93.5	Very high	86.7	Confident	1 Å²	1	50.5 Å²	50.5	0%	0.004	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	161	172.1	-69.8	-94.9	0	0	0	111.5	T537 L539 F558 F561 T563 L564 I580 E587 A588 A591	T537-F582 WeakPolarHBondContact CB-O 3.44Å; T537-F582 PolarHBondContact O-N 2.72Å; T537-F582 PolarHBondContact OG1-O 2.98Å; L539-F582 HydrophobicContact CD1-CD2 4.45Å; L539-F582 HydrophobicContact CD1-CE2 3.85Å; L539-F582 HydrophobicContact CG-CE2 4.43Å; F558-F582 HydrophobicContact CB-CZ 4.1Å; F558-F582 HydrophobicContact CD1-CZ 4.1Å; F558-F582 WeakPolarHBondContact O-CE1 3.2Å; F561-F582 HydrophobicContact CB-CE1 4.23Å; F561-F582 HydrophobicContact CB-CZ 4.46Å; T563-F582 WeakPolarHBondContact O-CA 3.35Å; L564-F582 HydrophobicContact CD2-CD1 3.59Å; L564-F582 HydrophobicContact CD2-CD2 4.35Å; L564-F582 HydrophobicContact CD2-CE1 3.31Å; L564-F582 HydrophobicContact CD2-CE2 4.09Å; L564-F582 HydrophobicContact CD2-CG 4.12Å; L564-F582 HydrophobicContact CD2-CZ 3.58Å; I580-F582 HydrophobicContact CG2-CD2 4.22Å; I580-F582 HydrophobicContact CG2-CE2 3.72Å; I580-F582 HydrophobicContact CG2-CZ 4.24Å; F582-E587 HydrophobicContact CB-CB 3.95Å; F582-E587 HydrophobicContact CD1-CB 3.63Å; F582-E587 HydrophobicContact CE1-CB 4.44Å; F582-E587 HydrophobicContact CG-CB 4.03Å; F582-A588 HydrophobicContact CB-CB 4.11Å; F582-A588 HydrophobicContact CD2-CB 3.7Å; F582-A588 HydrophobicContact CE2-CB 4.5Å; F582-A588 HydrophobicContact CG-CB 4.12Å; F582-A591 HydrophobicContact CE1-CB 4.31Å; F582-A591 HydrophobicContact CE2-CB 3.76Å; F582-A591 HydrophobicContact CZ-CB 3.47Å; F582-A591 VanDerWaalsContact CZ-CB 3.47Å
583	A	91.1	Very high	87.4	Confident	51 Å²	51	49.7 Å²	49.7	42%	0.421	28%	0.279	S	S	.	.	S	Bend	trans	-66.1	-36.5	173.3	0	0	0	0	0	112.7	T563 V565	T563-A583 PolarHBondContact O-N 2.83Å; T563-A583 WeakPolarHBondContact OG1-CB 3.3Å; V565-A583 HydrophobicContact CG2-CB 3.78Å
584	T	89.6	Confident	88.2	Confident	55 Å²	55	48.3 Å²	48.3	34%	0.337	26%	0.259	S	S	.	.	S	Bend	trans	-123.7	155.7	178.9	73.8	0	0	0	0	113.3	E586 E587 A588	T584-E586 PolarHBondContact O-N 2.96Å; T584-E586 PolarHBondContact OG1-N 2.81Å; T584-E587 WeakPolarHBondContact CB-OE1 3.32Å; T584-E587 WeakPolarHBondContact CG2-OE1 3.36Å; T584-E587 PolarHBondContact O-N 2.95Å; T584-E587 VanDerWaalsContact OG1-CG 3.32Å; T584-E587 WeakPolarHBondContact OG1-CG 3.42Å; T584-E587 PolarHBondContact OG1-N 3.37Å; T584-E587 PolarHBondContact OG1-OE1 3.11Å; T584-A588 PolarHBondContact O-N 2.66Å
585	Y	90.6	Very high	88.4	Confident	36 Å²	36	51.7 Å²	51.7	14%	0.141	28%	0.283	C	S	.	.	H	α-helix	trans	-60.5	-33.5	171.2	173.4	-100.6	0	0	0	111.8	G533 N534 N536 K589 W608	G533-Y585 WeakPolarHBondContact O-CE2 3.17Å; N534-Y585 VanDerWaalsContact C-CD2 3.41Å; N534-Y585 VanDerWaalsContact C-CG 3.41Å; N534-Y585 HydrophobicContact CB-CD1 3.95Å; N534-Y585 HydrophobicContact CB-CE1 3.87Å; N534-Y585 HydrophobicContact CB-CG 4.45Å; N534-Y585 WeakPolarHBondContact O-CB 3.42Å; N534-Y585 VanDerWaalsContact O-CG 3.3Å; N536-Y585 WeakPolarHBondContact O-CD2 3.36Å; Y585-K589 HydrophobicContact CD1-CD 4.42Å; Y585-K589 HydrophobicContact CE1-CB 4.42Å; Y585-K589 HydrophobicContact CE1-CD 3.64Å; Y585-K589 WeakPolarHBondContact O-CB 3.07Å; Y585-K589 PolarHBondContact O-N 3.42Å; Y585-W608 HydrophobicContact CD2-CH2 4.15Å; Y585-W608 AromaticContact CE2-CH2 3.71Å; Y585-W608 HydrophobicContact CE2-CH2 3.71Å; Y585-W608 HydrophobicContact CE2-CZ2 4.04Å; Y585-W608 HydrophobicContact CE2-CZ3 4.29Å
586	E	90.6	Very high	88.7	Confident	132 Å²	132	51.4 Å²	51.4	62%	0.617	27%	0.274	S	S	*	.	H	α-helix	trans	-71.2	-36.8	-178.2	-59.1	-159.1	160.5	0	0	112.6	T584 K589 K590	T584-E586 PolarHBondContact O-N 2.96Å; T584-E586 PolarHBondContact OG1-N 2.81Å; E586-K589 PolarHBondContact O-N 3.34Å; E586-K590 VanDerWaalsContact O-CG 3.26Å; E586-K590 WeakPolarHBondContact O-CG 3.43Å; E586-K590 PolarHBondContact O-N 2.82Å
587	E	91.9	Very high	88.6	Confident	30 Å²	30	48 Å²	48	14%	0.14	26%	0.263	C	S	.	.	H	α-helix	trans	-65.4	-48.3	172.9	-72.4	156.6	-115.8	0	0	111.5	G562 T563 F582 T584 K589 K590 A591	G562-E587 VanDerWaalsContact CA-OE2 3.32Å; G562-E587 WeakPolarHBondContact CA-OE2 3.36Å; T563-E587 PolarHBondContact N-OE2 3.42Å; T563-E587 PolarHBondContact OG1-OE2 2.84Å; F582-E587 HydrophobicContact CB-CB 3.95Å; F582-E587 HydrophobicContact CD1-CB 3.63Å; F582-E587 HydrophobicContact CE1-CB 4.44Å; F582-E587 HydrophobicContact CG-CB 4.03Å; T584-E587 WeakPolarHBondContact CB-OE1 3.32Å; T584-E587 WeakPolarHBondContact CG2-OE1 3.36Å; T584-E587 PolarHBondContact O-N 2.95Å; T584-E587 VanDerWaalsContact OG1-CG 3.32Å; T584-E587 WeakPolarHBondContact OG1-CG 3.42Å; T584-E587 PolarHBondContact OG1-N 3.37Å; T584-E587 PolarHBondContact OG1-OE1 3.11Å; E587-K589 VanDerWaalsContact C-N 3.25Å; E587-K589 PolarHBondContact O-N 2.86Å; E587-K590 WeakPolarHBondContact O-CB 3.22Å; E587-K590 PolarHBondContact O-N 3.49Å; E587-K590 VanDerWaalsContact O-N 3.14Å; E587-A591 PolarHBondContact O-N 2.68Å
588	A	90.1	Very high	88.2	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-59.7	-37.7	173.4	0	0	0	0	0	112	L539 F582 T584 A591 I592 W608	L539-A588 HydrophobicContact CD2-CB 4.44Å; L539-A588 HydrophobicContact CG-CB 4.29Å; F582-A588 HydrophobicContact CB-CB 4.11Å; F582-A588 HydrophobicContact CD2-CB 3.7Å; F582-A588 HydrophobicContact CE2-CB 4.5Å; F582-A588 HydrophobicContact CG-CB 4.12Å; T584-A588 PolarHBondContact O-N 2.66Å; A588-A591 PolarHBondContact O-N 2.8Å; A588-I592 WeakPolarHBondContact O-CG2 3.48Å; A588-I592 PolarHBondContact O-N 3.48Å; A588-W608 HydrophobicContact CB-CH2 4.02Å; A588-W608 HydrophobicContact CB-CZ3 3.75Å
589	K	89.9	Confident	87.7	Confident	102 Å²	102	49.8 Å²	49.8	44%	0.443	27%	0.271	S	S	.	.	H	α-helix	trans	-68	-37	176.3	-177.4	174.4	170.5	-172.6	0	112.2	Y585 E586 E587 S593 W608	Y585-K589 HydrophobicContact CD1-CD 4.42Å; Y585-K589 HydrophobicContact CE1-CB 4.42Å; Y585-K589 HydrophobicContact CE1-CD 3.64Å; Y585-K589 WeakPolarHBondContact O-CB 3.07Å; Y585-K589 PolarHBondContact O-N 3.42Å; E586-K589 PolarHBondContact O-N 3.34Å; E587-K589 VanDerWaalsContact C-N 3.25Å; E587-K589 PolarHBondContact O-N 2.86Å; K589-S593 VanDerWaalsContact O-CB 3.29Å; K589-S593 WeakPolarHBondContact O-CB 3.25Å; K589-S593 PolarHBondContact O-N 3.19Å; K589-S593 VanDerWaalsContact O-N 3.12Å; K589-S593 PolarHBondContact O-OG 2.97Å; K589-W608 HydrophobicContact CB-CH2 4.06Å; K589-W608 HydrophobicContact CB-CZ2 4.23Å
590	K	90.4	Very high	87.2	Confident	113 Å²	113	56.3 Å²	56.3	49%	0.491	31%	0.306	S	S	.	.	H	α-helix	trans	-61.8	-49.6	170.4	-72.5	162.4	-172.6	170.1	0	110.1	F561 E586 E587 I592 S593 S594	F561-K590 HydrophobicContact CB-CB 4.44Å; E586-K590 VanDerWaalsContact O-CG 3.26Å; E586-K590 WeakPolarHBondContact O-CG 3.43Å; E586-K590 PolarHBondContact O-N 2.82Å; E587-K590 WeakPolarHBondContact O-CB 3.22Å; E587-K590 PolarHBondContact O-N 3.49Å; E587-K590 VanDerWaalsContact O-N 3.14Å; K590-I592 PolarHBondContact O-N 2.83Å; K590-S593 CarbonylContact O-C 3.59Å; K590-S593 PolarHBondContact O-N 3.3Å; K590-S593 VanDerWaalsContact O-N 3.12Å; K590-S593 PolarHBondContact O-OG 3.47Å; K590-S594 PolarHBondContact O-N 3.44Å
591	A	90.1	Very high	86.7	Confident	1 Å²	1	57.8 Å²	57.8	1%	0.008	31%	0.314	C	S	.	.	H	α-helix	trans	-63.1	-32.6	-179.1	0	0	0	0	0	115.2	L539 F558 F561 F582 E587 A588 S594	L539-A591 HydrophobicContact CD1-CB 3.76Å; F558-A591 HydrophobicContact CD1-CB 4.13Å; F558-A591 HydrophobicContact CE1-CB 4.39Å; F561-A591 HydrophobicContact CB-CB 3.73Å; F561-A591 HydrophobicContact CD2-CB 4.09Å; F561-A591 HydrophobicContact CG-CB 3.93Å; F582-A591 HydrophobicContact CE1-CB 4.31Å; F582-A591 HydrophobicContact CE2-CB 3.76Å; F582-A591 HydrophobicContact CZ-CB 3.47Å; F582-A591 VanDerWaalsContact CZ-CB 3.47Å; E587-A591 PolarHBondContact O-N 2.68Å; A588-A591 PolarHBondContact O-N 2.8Å; A591-S594 PolarHBondContact O-OG 3.01Å
592	I	88.9	Confident	86.2	Confident	49 Å²	49	65.8 Å²	65.8	25%	0.251	34%	0.342	S	S	.	.	H	α-helix	trans	-87.7	-12.9	174.5	-162.9	170.4	0	0	0	113.4	L539 A588 K590 V606 W608	L539-I592 HydrophobicContact CD1-CB 4.21Å; L539-I592 HydrophobicContact CD2-CB 4Å; L539-I592 HydrophobicContact CD2-CD1 4.03Å; L539-I592 HydrophobicContact CD2-CG2 4.41Å; A588-I592 WeakPolarHBondContact O-CG2 3.48Å; A588-I592 PolarHBondContact O-N 3.48Å; K590-I592 PolarHBondContact O-N 2.83Å; I592-V606 HydrophobicContact CB-CG1 4.06Å; I592-V606 HydrophobicContact CD1-CG1 4.16Å; I592-V606 HydrophobicContact CG1-CB 4.14Å; I592-V606 HydrophobicContact CG1-CG1 3.78Å; I592-W608 HydrophobicContact CD1-CD2 4.17Å; I592-W608 HydrophobicContact CD1-CG 4.02Å; I592-W608 HydrophobicContact CG2-CH2 4.1Å; I592-W608 HydrophobicContact CG2-CZ2 3.58Å
593	S	85.9	Confident	85.7	Confident	84 Å²	84	73.4 Å²	73.4	59%	0.587	38%	0.375	S	S	*	.	H	α-helix	trans	-104.2	-6.5	176.5	63.2	0	0	0	0	114.2	K589 K590	K589-S593 VanDerWaalsContact O-CB 3.29Å; K589-S593 WeakPolarHBondContact O-CB 3.25Å; K589-S593 PolarHBondContact O-N 3.19Å; K589-S593 VanDerWaalsContact O-N 3.12Å; K589-S593 PolarHBondContact O-OG 2.97Å; K590-S593 CarbonylContact O-C 3.59Å; K590-S593 PolarHBondContact O-N 3.3Å; K590-S593 VanDerWaalsContact O-N 3.12Å; K590-S593 PolarHBondContact O-OG 3.47Å
594	S	86.3	Confident	85.6	Confident	35 Å²	35	71.6 Å²	71.6	25%	0.245	36%	0.358	C	S	.	.			trans	-62.4	137.2	172.1	58.4	0	0	0	0	111.3	F561 K590 A591 E596	F561-S594 VanDerWaalsContact CE1-CB 3.42Å; K590-S594 PolarHBondContact O-N 3.44Å; A591-S594 PolarHBondContact O-OG 3.01Å; S594-E596 VanDerWaalsContact C-N 3.3Å
595	T	77.6	Confident	85.4	Confident	149 Å²	149	74 Å²	74	91%	0.914	36%	0.364	S	S	*	.			trans	-85	-4.5	172.4	48.1	0	0	0	0	113
596	E	80.5	Confident	85.4	Confident	77 Å²	77	73.9 Å²	73.9	36%	0.36	37%	0.367	S	S	.	.	S	Bend	trans	-63.8	133.3	171.8	-168.2	171.4	173.7	0	0	110.2	R560 F561 S594	R560-E596 IonicContact CZ-OE1 2.61Å; R560-E596 IonicContact NH1-OE1 3.73Å; R560-E596 PolarHBondContact NH1-OE1 3.32Å; F561-E596 HydrophobicContact CZ-CB 4.29Å; F561-E596 WeakPolarHBondContact CZ-OE2 3.44Å; S594-E596 VanDerWaalsContact C-N 3.3Å
597	A	81.3	Confident	85.5	Confident	23 Å²	23	72.7 Å²	72.7	19%	0.19	36%	0.358	C	S	.	.	P	Polyproline II helix	trans	-81.1	122.7	-178.8	0	0	0	0	0	109.6	L599 N600 R602	A597-L599 PolarHBondContact O-N 3.4Å; A597-N600 WeakPolarHBondContact O-CA 3.27Å; A597-N600 PolarHBondContact O-N 2.89Å; A597-R602 HydrophobicContact CB-CG 3.71Å
598	V	78.8	Confident	85.5	Confident	8 Å²	8	73.5 Å²	73.5	5%	0.048	36%	0.359	C	S	.	.	G	3₁₀ helix	trans	-52.7	117.1	-179.9	-176.7	0	0	0	0	110.3	F558 N600 N601 I604 V606	F558-V598 HydrophobicContact CE1-CG2 4.39Å; F558-V598 HydrophobicContact CE2-CG1 3.48Å; F558-V598 VanDerWaalsContact CE2-CG1 3.48Å; F558-V598 HydrophobicContact CE2-CG2 4.4Å; F558-V598 HydrophobicContact CZ-CB 4.26Å; F558-V598 HydrophobicContact CZ-CG1 3.58Å; F558-V598 HydrophobicContact CZ-CG2 3.63Å; V598-N600 PolarHBondContact O-N 2.7Å; V598-N601 WeakPolarHBondContact O-CA 3.45Å; V598-N601 WeakPolarHBondContact O-CB 3Å; V598-N601 PolarHBondContact O-N 3.48Å; V598-I604 HydrophobicContact CB-CB 4.08Å; V598-I604 HydrophobicContact CB-CD1 4.16Å; V598-I604 HydrophobicContact CB-CG2 3.96Å; V598-I604 HydrophobicContact CG1-CB 4.48Å; V598-I604 HydrophobicContact CG1-CD1 3.93Å; V598-I604 HydrophobicContact CG1-CG2 3.99Å; V598-I604 HydrophobicContact CG2-CG2 4.31Å; V598-V606 HydrophobicContact CG2-CG2 3.78Å
599	L	77.6	Confident	85.4	Confident	32 Å²	32	74.3 Å²	74.3	17%	0.168	36%	0.363	C	S	.	.	G	3₁₀ helix	trans	50.7	40.9	-176	-60.5	176.6	0	0	0	113.2	L548 K553 L554 H557 A597 N601	L548-L599 HydrophobicContact CB-CD1 4.02Å; L548-L599 WeakPolarHBondContact O-CD1 3.49Å; K553-L599 HydrophobicContact CB-CD1 4.12Å; K553-L599 HydrophobicContact CB-CD2 4.08Å; K553-L599 WeakPolarHBondContact O-CD2 3.35Å; L554-L599 HydrophobicContact CD2-CD1 3.9Å; H557-L599 HydrophobicContact CB-CD2 3.82Å; H557-L599 HydrophobicContact CB-CG 4.39Å; A597-L599 PolarHBondContact O-N 3.4Å; L599-N601 PolarHBondContact O-N 2.9Å
600	N	81.9	Confident	85.1	Confident	150 Å²	150	75.6 Å²	75.6	80%	0.802	37%	0.365	S	S	*	.	G	3₁₀ helix	trans	58.9	6.9	-172.4	-69.6	-34.8	0	0	0	115.3	A597 V598	A597-N600 WeakPolarHBondContact O-CA 3.27Å; A597-N600 PolarHBondContact O-N 2.89Å; V598-N600 PolarHBondContact O-N 2.7Å
601	N	82.1	Confident	83.7	Confident	32 Å²	32	77.1 Å²	77.1	17%	0.171	37%	0.374	C	S	.	.			trans	-106.7	101.4	-173.6	-174.4	-14.4	0	0	0	112	P545 V598 L599 F603 I604	P545-N601 WeakPolarHBondContact CG-ND2 3.44Å; V598-N601 WeakPolarHBondContact O-CA 3.45Å; V598-N601 WeakPolarHBondContact O-CB 3Å; V598-N601 PolarHBondContact O-N 3.48Å; L599-N601 PolarHBondContact O-N 2.9Å; N601-F603 PolarHBondContact O-N 2.57Å; N601-F603 VanDerWaalsContact O-N 3.09Å; N601-F603 WeakPolarHBondContact OD1-CB 3.34Å; N601-F603 WeakPolarHBondContact OD1-CD2 3.36Å; N601-F603 PolarHBondContact OD1-N 3.19Å; N601-I604 HydrophobicContact CB-CD1 3.98Å; N601-I604 HydrophobicContact CB-CG1 4.01Å; N601-I604 PolarHBondContact O-N 2.8Å
602	R	82	Confident	81.8	Confident	222 Å²	222	80.7 Å²	80.7	84%	0.838	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-6.4	178.6	-65.6	-178.1	179.8	-179.2	0.5	115	A597	A597-R602 HydrophobicContact CB-CG 3.71Å
603	F	82.8	Confident	79.5	Confident	160 Å²	160	82 Å²	82	70%	0.702	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.6	-16.3	177.9	-58	-70.6	0	0	0	113.5	N601	N601-F603 PolarHBondContact O-N 2.57Å; N601-F603 VanDerWaalsContact O-N 3.09Å; N601-F603 WeakPolarHBondContact OD1-CB 3.34Å; N601-F603 WeakPolarHBondContact OD1-CD2 3.36Å; N601-F603 PolarHBondContact OD1-N 3.19Å
604	I	88.1	Confident	77	Confident	13 Å²	13	82.8 Å²	82.8	7%	0.067	43%	0.426	C	S	.	.			trans	-65.8	133.5	170	-58.2	-176	0	0	0	108.5	V544 V598 N601	V544-I604 HydrophobicContact CB-CD1 4.36Å; V544-I604 HydrophobicContact CG1-CD1 4.11Å; V544-I604 HydrophobicContact CG2-CD1 4.31Å; V544-I604 HydrophobicContact CG2-CG2 3.95Å; V598-I604 HydrophobicContact CB-CB 4.08Å; V598-I604 HydrophobicContact CB-CD1 4.16Å; V598-I604 HydrophobicContact CB-CG2 3.96Å; V598-I604 HydrophobicContact CG1-CB 4.48Å; V598-I604 HydrophobicContact CG1-CD1 3.93Å; V598-I604 HydrophobicContact CG1-CG2 3.99Å; V598-I604 HydrophobicContact CG2-CG2 4.31Å; N601-I604 HydrophobicContact CB-CD1 3.98Å; N601-I604 HydrophobicContact CB-CG1 4.01Å; N601-I604 PolarHBondContact O-N 2.8Å
605	K	86.5	Confident	74.6	Confident	105 Å²	105	89.7 Å²	89.7	46%	0.457	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	119.4	-177.9	-60.3	-166.4	-179.2	-174	0	110.9	L541 R542 Y607	L541-K605 WeakPolarHBondContact CA-O 3.33Å; R542-K605 PolarHBondContact N-O 2.86Å; R542-K605 PolarHBondContact O-N 3.49Å; K605-Y607 HydrophobicContact CB-CD2 4.28Å; K605-Y607 HydrophobicContact CB-CE2 3.49Å; K605-Y607 VanDerWaalsContact CB-CE2 3.49Å; K605-Y607 HydrophobicContact CD-CE2 4.47Å; K605-Y607 VanDerWaalsContact CD-OH 3.3Å; K605-Y607 WeakPolarHBondContact CD-OH 3.5Å
606	V	91.2	Very high	72.3	Confident	34 Å²	34	88.8 Å²	88.8	21%	0.206	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	129.4	173.8	-165.5	0	0	0	0	109.3	L539 L541 I592 V598	L539-V606 HydrophobicContact CB-CG1 4.12Å; L539-V606 HydrophobicContact CD1-CG1 3.82Å; L539-V606 HydrophobicContact CD2-CG1 4.4Å; L539-V606 HydrophobicContact CG-CG1 4.36Å; L541-V606 HydrophobicContact CD2-CB 4.15Å; L541-V606 HydrophobicContact CD2-CG1 4Å; L541-V606 HydrophobicContact CD2-CG2 3.78Å; I592-V606 HydrophobicContact CB-CG1 4.06Å; I592-V606 HydrophobicContact CD1-CG1 4.16Å; I592-V606 HydrophobicContact CG1-CB 4.14Å; I592-V606 HydrophobicContact CG1-CG1 3.78Å; V598-V606 HydrophobicContact CG2-CG2 3.78Å
607	Y	91.1	Very high	69.7	Low	107 Å²	107	93 Å²	93	42%	0.42	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	151.1	175.2	-63.8	-76.9	0	0	0	110.7	L539 E540 R542 K605 H609	L539-Y607 CarbonylContact C-O 3.6Å; L539-Y607 WeakPolarHBondContact CA-O 3.33Å; E540-Y607 PolarHBondContact N-O 3.19Å; E540-Y607 PolarHBondContact O-N 3.22Å; R542-Y607 HydrophobicContact CB-CE2 4.45Å; K605-Y607 HydrophobicContact CB-CD2 4.28Å; K605-Y607 HydrophobicContact CB-CE2 3.49Å; K605-Y607 VanDerWaalsContact CB-CE2 3.49Å; K605-Y607 HydrophobicContact CD-CE2 4.47Å; K605-Y607 VanDerWaalsContact CD-OH 3.3Å; K605-Y607 WeakPolarHBondContact CD-OH 3.5Å; Y607-H609 PolarHBondContact O-N 3.37Å
608	W	92.8	Very high	67.1	Low	47 Å²	47	100.2 Å²	100.2	18%	0.178	49%	0.494	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	121.8	163	-73.7	116.6	0	0	0	108.9	F532 N536 L539 Y585 A588 K589 I592	F532-W608 HydrophobicContact CD2-CB 4.43Å; F532-W608 AromaticContact CD2-CD1 3.87Å; F532-W608 HydrophobicContact CD2-CG 4.29Å; F532-W608 HydrophobicContact CE2-CB 4.27Å; F532-W608 HydrophobicContact CE2-CG 4.49Å; F532-W608 HydrophobicContact CZ-CB 4.34Å; N536-W608 HydrophobicContact CB-CE3 3.99Å; N536-W608 HydrophobicContact CB-CZ3 4.3Å; N536-W608 WeakPolarHBondContact O-CZ3 3.41Å; L539-W608 HydrophobicContact CD2-CD2 4.05Å; L539-W608 HydrophobicContact CD2-CE3 3.41Å; L539-W608 VanDerWaalsContact CD2-CE3 3.41Å; L539-W608 HydrophobicContact CD2-CH2 4.31Å; L539-W608 HydrophobicContact CD2-CZ3 3.54Å; Y585-W608 HydrophobicContact CD2-CH2 4.15Å; Y585-W608 AromaticContact CE2-CH2 3.71Å; Y585-W608 HydrophobicContact CE2-CH2 3.71Å; Y585-W608 HydrophobicContact CE2-CZ2 4.04Å; Y585-W608 HydrophobicContact CE2-CZ3 4.29Å; A588-W608 HydrophobicContact CB-CH2 4.02Å; A588-W608 HydrophobicContact CB-CZ3 3.75Å; K589-W608 HydrophobicContact CB-CH2 4.06Å; K589-W608 HydrophobicContact CB-CZ2 4.23Å; I592-W608 HydrophobicContact CD1-CD2 4.17Å; I592-W608 HydrophobicContact CD1-CG 4.02Å; I592-W608 HydrophobicContact CG2-CH2 4.1Å; I592-W608 HydrophobicContact CG2-CZ2 3.58Å
609	H	88	Confident	64.5	Low	17 Å²	17	106.1 Å²	106.1	8%	0.079	53%	0.53	C	S	.	.			trans	-64.5	146.3	175.6	-179.2	64.4	0	0	0	110.4	N536 K538 E540 Y571 L579 Y607	N536-H609 PolarHBondContact ND2-O 2.86Å; N536-H609 VanDerWaalsContact ND2-O 3.08Å; K538-H609 HydrophobicContact CB-CB 3.79Å; K538-H609 WeakPolarHBondContact O-CB 3.22Å; K538-H609 PolarHBondContact O-N 2.91Å; E540-H609 HydrophobicContact CB-CB 4.23Å; E540-H609 IonicContact OE2-CE1 2.64Å; E540-H609 IonicContact OE2-ND1 2.63Å; E540-H609 PolarHBondContact OE2-ND1 3.39Å; Y571-H609 AromaticContact CE1-CE1 3.95Å; Y571-H609 AromaticContact CZ-CE1 3.91Å; Y571-H609 PolarHBondContact OH-CE1 2.86Å; L579-H609 HydrophobicContact CD1-CB 3.8Å; Y607-H609 PolarHBondContact O-N 3.37Å
610	R	82.4	Confident	61.9	Low	129 Å²	129	109.8 Å²	109.8	49%	0.487	55%	0.554	S	S	.	*			trans	-123.1	102.1	-177.9	-63.9	-173.9	-176.7	-157.8	1.2	110.3	F532 G612 S613	F532-R610 HydrophobicContact CE1-CG 4.19Å; F532-R610 HydrophobicContact CZ-CG 4.5Å; R610-G612 PolarHBondContact O-N 3.31Å; R610-S613 PolarHBondContact O-N 3.08Å
611	E	62.2	Low	59.5	Low	145 Å²	145	107.1 Å²	107.1	68%	0.678	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	12.2	179.6	-55.5	-163.7	147.4	0	0	114.9	K538	K538-E611 WeakPolarHBondContact CD-OE1 3.27Å; K538-E611 WeakPolarHBondContact CE-OE1 3.49Å; K538-E611 IonicContact NZ-OE1 2.64Å; K538-E611 PolarHBondContact NZ-OE1 2.96Å
612	G	50.7	Low	57.4	Low	76 Å²	76	109.9 Å²	109.9	78%	0.784	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-138.3	24	173.9	0	0	0	0	0	113.4	R610	R610-G612 PolarHBondContact O-N 3.31Å
613	S	38.8	Very low	54.9	Low	77 Å²	77	108.1 Å²	108.1	54%	0.538	57%	0.565	S	S	.	*			trans	-119.9	20.6	178.7	-166.5	0	0	0	0	113.8	R610 Q615	R610-S613 PolarHBondContact O-N 3.08Å; S613-Q615 PolarHBondContact O-N 2.83Å
614	T	35	Very low	52.6	Low	100 Å²	100	106.2 Å²	106.2	61%	0.613	57%	0.569	S	S	*	*			trans	-64.5	114.5	165.5	30.7	0	0	0	0	109.7	Q616	T614-Q616 PolarHBondContact O-N 3.5Å
615	Q	35.1	Very low	49.7	Very low	181 Å²	181	112.5 Å²	112.5	85%	0.846	60%	0.602	S	S	*	*			trans	-70.1	106.4	156.6	-71.4	-175.4	8.7	0	0	107.2	S613	S613-Q615 PolarHBondContact O-N 2.83Å
616	Q	29.8	Very low	46.9	Very low	130 Å²	130	113.7 Å²	113.7	61%	0.607	62%	0.617	S	S	*	*			trans	-66.7	141.6	162.1	-71.1	178.4	-21.8	0	0	109.1	T614	T614-Q616 PolarHBondContact O-N 3.5Å
617	L	25.5	Very low	43.9	Very low	164 Å²	164	119.6 Å²	119.6	86%	0.859	64%	0.643	S	S	*	*			cis	42.3	83.9	-1.2	-71.8	175.8	0	0	0	115.1	T619	L617-T619 PolarHBondContact O-N 3.36Å
618	Q	26.6	Very low	40.9	Very low	176 Å²	176	121.7 Å²	121.7	82%	0.822	66%	0.657	S	S	*	*			trans	-44.5	138.5	160.7	-65.1	160.8	-15.8	0	0	108.7
619	T	23.8	Very low	38.1	Very low	131 Å²	131	125 Å²	125	80%	0.804	68%	0.684	S	S	*	*				-139.5	170.5	55.8	51.6	0	0	0	0	116	L617	L617-T619 PolarHBondContact O-N 3.36Å
620	T	24.4	Very low	35.3	Very low	109 Å²	109	131.6 Å²	131.6	67%	0.669	72%	0.718	S	S	*	*			trans	-150.8	148.9	173.1	48.8	0	0	0	0	106.4
621	S	31.1	Very low	32.6	Very low	94 Å²	94	133 Å²	133	66%	0.657	73%	0.734	S	S	*	*			cis	-176.3	-152.7	-6.8	59.6	0	0	0	0	106
622	P	38	Very low	31.7	Very low	91 Å²	91	132 Å²	132	59%	0.591	74%	0.74	S	S	*	*			cis	-125.7	-168.9	-24.7	38.8	-22.2	0	0	0	113.7	K19	K19-P622 PolarHBondContact NZ-O 2.95Å
623	K	29.7	Very low	30.8	Very low	184 Å²	184	134.7 Å²	134.7	80%	0.8	74%	0.741	S	S	*	*			trans	-57.7	167.4	-174.3	-51.5	174.9	-178.9	177.7	0	116.4
624	P	33.4	Very low	30.4	Very low	121 Å²	121	137.4 Å²	137.4	79%	0.786	76%	0.755	S	S	*	*				-139	-175.8	90	36.5	-21.7	0	0	0	113.7
625	L	28.2	Very low	30.3	Very low	145 Å²	145	140.7 Å²	140.7	76%	0.759	76%	0.76	S	S	*	*				-168.3	161.7	-57.1	-118.9	164.5	0	0	0	109.5
626	V	27.9	Very low	30	Very low	129 Å²	129	140.6 Å²	140.6	78%	0.782	76%	0.76	S	S	*	*			trans	72.8	143.8	164.4	164.8	0	0	0	0	114.9
627	Q	27.2	Very low	30.1	Very low	159 Å²	159	139 Å²	139	74%	0.743	76%	0.763	S	S	*	*			cis	-147.4	155.7	39.8	-115.6	-152.9	5.8	0	0	116.4
628	Q	28.8	Very low	30.2	Very low	151 Å²	151	137.2 Å²	137.2	71%	0.706	76%	0.759	S	S	*	*			trans	62.3	151.4	146.1	-56.2	-64.8	9.2	0	0	126
629	P	34.1	Very low	30.4	Very low	115 Å²	115	137.4 Å²	137.4	75%	0.747	76%	0.757	S	S	*	*			trans	-101.7	-166.2	165.8	41.5	-33.5	0	0	0	114.2
630	I	29.3	Very low	30.7	Very low	157 Å²	157	137.4 Å²	137.4	81%	0.805	75%	0.748	S	S	*	*			trans	-124.3	158.6	-153.5	-50.9	167	0	0	0	113.9
631	L	25.1	Very low	31.1	Very low	158 Å²	158	143 Å²	143	83%	0.827	76%	0.756	S	S	*	*			trans	124.3	152.4	148.5	-67.6	171.8	0	0	0	115.4
632	P	43.6	Very low	31.2	Very low	123 Å²	123	145.9 Å²	145.9	80%	0.799	76%	0.764	S	S	*	*			cis	-134.4	-167.5	-26.9	37.9	-18.4	0	0	0	114.8
633	V	32.3	Very low	30.5	Very low	133 Å²	133	144.6 Å²	144.6	81%	0.806	77%	0.767	S	S	*	*			trans	-87.8	141.5	-165.2	171.8	0	0	0	0	117
634	V	30.1	Very low	31.2	Very low	135 Å²	135	141.8 Å²	141.8	82%	0.818	77%	0.767	S	S	*	*			trans	-145.4	113.1	149	-175.9	0	0	0	0	114.2
635	K	32.5	Very low	31	Very low	169 Å²	169	142 Å²	142	74%	0.735	77%	0.767	S	S	*	*			trans	23.9	140.2	145.4	-60.2	-177.6	-179.4	178.9	0	125.2
636	Q	28.8	Very low	31.5	Very low	178 Å²	178	140.8 Å²	140.8	83%	0.832	77%	0.767	S	S	*	*			trans	70.8	163.4	141.2	-72.7	165.4	-55.8	0	0	120.6
637	S	31.6	Very low	31.4	Very low	97 Å²	97	140 Å²	140	68%	0.678	77%	0.767	S	S	*	*			cis	176.7	118.1	-40.4	173.5	0	0	0	0	111.4
638	V	27.7	Very low	31.4	Very low	126 Å²	126	137.3 Å²	137.3	76%	0.764	77%	0.766	S	S	*	*			trans	62.8	107.6	150.6	179.8	0	0	0	0	120.4
639	K	30.4	Very low	31.2	Very low	181 Å²	181	135.2 Å²	135.2	79%	0.787	76%	0.764	S	S	*	*				57	140.1	126	-151.1	-170.9	176.9	-171	0	122.5
640	E	30.4	Very low	31	Very low	131 Å²	131	137.5 Å²	137.5	61%	0.612	77%	0.768	S	S	*	*			trans	104.4	103.3	142.6	-154.5	167.4	-81.9	0	0	121.1	L642	E640-L642 HydrophobicContact CG-CD1 4.29Å; E640-L642 HydrophobicContact CG-CG 4.39Å
641	R	33.6	Very low	30.7	Very low	226 Å²	226	138.3 Å²	138.3	85%	0.853	77%	0.768	S	S	*	*				-178.3	105.7	123.6	-96.8	160.5	-174.4	-146.9	-3.9	109.2
642	L	31.4	Very low	31.7	Very low	154 Å²	154	136.1 Å²	136.1	81%	0.806	76%	0.764	S	S	*	*				67.8	128.7	80.6	-67.2	172.8	0	0	0	112.1	E640	E640-L642 HydrophobicContact CG-CD1 4.29Å; E640-L642 HydrophobicContact CG-CG 4.39Å
643	G	25.2	Very low	30.8	Very low	64 Å²	64	134.5 Å²	134.5	66%	0.66	76%	0.761	S	S	*	*			cis	173	-150.7	1.8	0	0	0	0	0	107.8
644	P	43.3	Very low	30.3	Very low	125 Å²	125	137.2 Å²	137.2	81%	0.812	77%	0.765	S	S	*	*			cis	-92	-132.8	-23.1	5.6	18.3	0	0	0	109.1
645	V	29.5	Very low	30	Very low	127 Å²	127	134.6 Å²	134.6	77%	0.77	76%	0.757	S	S	*	*			cis	-151.3	143.9	-1.4	-149.8	0	0	0	0	110.1
646	P	39.3	Very low	29.6	Very low	118 Å²	118	135.3 Å²	135.3	77%	0.766	76%	0.763	S	S	*	*			trans	-127.3	167.1	166.7	40.7	-29.5	0	0	0	114.5
647	S	26.1	Very low	29.4	Very low	113 Å²	113	132 Å²	132	79%	0.79	76%	0.76	S	S	*	*			trans	-146.7	99.7	156.9	-69.7	0	0	0	0	107.2
648	S	26.8	Very low	29.1	Very low	103 Å²	103	131.8 Å²	131.8	72%	0.72	76%	0.764	S	S	*	*				81.5	138.5	90.8	73.1	0	0	0	0	112.3
649	T	24	Very low	29	Very low	107 Å²	107	131.2 Å²	131.2	66%	0.656	77%	0.765	S	S	*	*				-170.2	125.6	56.1	-67.5	0	0	0	0	113.4
650	I	29.4	Very low	28.9	Very low	163 Å²	163	127.1 Å²	127.1	84%	0.836	76%	0.76	S	S	*	*			trans	67.3	155	148.2	-58.1	170.1	0	0	0	120.8
651	E	23.3	Very low	28.9	Very low	173 Å²	173	127.7 Å²	127.7	81%	0.808	77%	0.767	S	S	*	*			trans	-85.9	-143.4	171.3	-71.3	-162.8	113.6	0	0	113.3
652	P	46.2	Very low	28.4	Very low	112 Å²	112	124.8 Å²	124.8	73%	0.727	77%	0.767	S	S	*	*				-117	-148.1	-89.1	37.2	-20.7	0	0	0	113.3
653	A	24.1	Very low	28.7	Very low	90 Å²	90	122 Å²	122	74%	0.744	76%	0.759	S	S	*	*			trans	83.3	128.8	-170.3	0	0	0	0	0	113.4
654	E	22.4	Very low	29.1	Very low	190 Å²	190	127.4 Å²	127.4	89%	0.888	77%	0.767	S	S	*	*				69.1	124.9	53.1	-77.3	-156.9	111.5	0	0	115.4
655	A	23.1	Very low	28.2	Very low	79 Å²	79	128.3 Å²	128.3	65%	0.653	77%	0.765	S	S	*	*			trans	56.8	131.4	152.2	0	0	0	0	0	120.9
656	Q	25.2	Very low	28.1	Very low	184 Å²	184	127.9 Å²	127.9	86%	0.86	76%	0.762	S	S	*	*				36	136.3	126.9	-52.4	172.1	20.8	0	0	119.2
657	S	24.7	Very low	27.6	Very low	110 Å²	110	128.3 Å²	128.3	77%	0.769	76%	0.763	S	S	*	*			cis	172.5	144.6	-5.2	48.4	0	0	0	0	106.4
658	A	25.1	Very low	28	Very low	92 Å²	92	132.1 Å²	132.1	76%	0.76	77%	0.765	S	S	*	*			trans	-151.3	138.6	168.6	0	0	0	0	0	112.8
659	S	24.9	Very low	28	Very low	113 Å²	113	135.3 Å²	135.3	79%	0.79	77%	0.773	S	S	*	*			trans	9.4	133.3	152.5	54.1	0	0	0	0	119.4
660	S	28.4	Very low	28.2	Very low	96 Å²	96	134.6 Å²	134.6	67%	0.671	77%	0.772	S	S	*	*			cis	-165.2	170.2	0.6	61.1	0	0	0	0	108.6
661	D	30.1	Very low	28	Very low	143 Å²	143	133.2 Å²	133.2	77%	0.765	77%	0.771	S	S	*	*			cis	-140.9	163	16.9	-82.3	-77.7	0	0	0	112.8
662	L	23.4	Very low	28.3	Very low	164 Å²	164	133.8 Å²	133.8	86%	0.859	77%	0.771	S	S	*	*			trans	-145.8	170.2	171.8	-130.1	72	0	0	0	106.2
663	P	39	Very low	27.4	Very low	97 Å²	97	133.9 Å²	133.9	63%	0.63	77%	0.765	S	S	*	*			cis	-141.1	-147.7	3.1	36.5	-11.6	0	0	0	113.8
664	Q	32.1	Very low	27.8	Very low	176 Å²	176	139.7 Å²	139.7	82%	0.822	77%	0.768	S	S	*	*			trans	85.8	119.2	168.2	-51.3	178.9	10.1	0	0	115.6
665	N	24.5	Very low	28.1	Very low	144 Å²	144	138.8 Å²	138.8	77%	0.77	77%	0.769	S	S	*	*			cis	105.1	140.7	10	-160.6	17.5	0	0	0	115.8
666	V	28.7	Very low	28.3	Very low	118 Å²	118	138.3 Å²	138.3	72%	0.715	77%	0.771	S	S	*	*			trans	58	150.2	174.8	-73.3	0	0	0	0	117.7
667	T	28.7	Very low	28.4	Very low	127 Å²	127	138.8 Å²	138.8	78%	0.779	77%	0.771	S	S	*	*			cis	-148.6	-178.5	13.7	-19.7	0	0	0	0	113.3
668	K	34.3	Very low	28.6	Very low	193 Å²	193	139.3 Å²	139.3	84%	0.839	77%	0.769	S	S	*	*			trans	-59.2	175.7	168.7	-52.1	169	-177.8	173.9	0	113.8
669	L	27.6	Very low	28.9	Very low	170 Å²	170	140.4 Å²	140.4	89%	0.89	77%	0.771	S	S	*	*			trans	163.3	165.8	137	-85.1	176	0	0	0	108.8
670	S	27.5	Very low	29	Very low	92 Å²	92	144.1 Å²	144.1	64%	0.643	77%	0.773	S	S	*	*			cis	-168.8	148.6	-37.7	-162.6	0	0	0	0	112
671	V	23.9	Very low	29.8	Very low	134 Å²	134	145.2 Å²	145.2	81%	0.812	78%	0.778	S	S	*	*			trans	41	130.1	149.8	175.1	0	0	0	0	122.3
672	K	30.1	Very low	29.6	Very low	185 Å²	185	143 Å²	143	80%	0.804	77%	0.774	S	S	*	*			trans	-42.3	151.5	165.2	-49.4	159.4	-178.7	172.4	0	115.6
673	D	27.4	Very low	29.9	Very low	114 Å²	114	141.4 Å²	141.4	61%	0.61	77%	0.77	S	S	*	*				-177.3	152.9	96	-127.8	12.4	0	0	0	114.7
674	R	32.3	Very low	29.4	Very low	213 Å²	213	141.7 Å²	141.7	80%	0.804	77%	0.774	S	S	*	*			trans	62.6	134.3	154.2	-61.3	163.5	-161.4	-139.5	-2.6	118.2
675	L	30	Very low	29.3	Very low	171 Å²	171	137.6 Å²	137.6	90%	0.895	77%	0.771	S	S	*	*			cis	-153.7	157.8	29.7	-70.2	169.5	0	0	0	112.6
676	G	27.3	Very low	29.5	Very low	68 Å²	68	137.3 Å²	137.3	70%	0.701	78%	0.775	S	S	*	*			trans	110.4	107.3	140.9	0	0	0	0	0	121.1
677	F	27.4	Very low	29.5	Very low	195 Å²	195	138.9 Å²	138.9	86%	0.855	77%	0.774	S	S	*	*			trans	49.5	114	147.4	-80.5	-106.2	0	0	0	120.8
678	V	27.8	Very low	29.8	Very low	121 Å²	121	140.9 Å²	140.9	73%	0.733	77%	0.772	S	S	*	*				88.2	129.3	72	159.8	0	0	0	0	111.8
679	S	30.8	Very low	29.5	Very low	114 Å²	114	137.6 Å²	137.6	80%	0.797	77%	0.768	S	S	*	*			cis	-132.1	164	33.8	-68.4	0	0	0	0	117.5
680	K	28.4	Very low	29.5	Very low	191 Å²	191	137.3 Å²	137.3	83%	0.83	77%	0.766	S	S	*	*			trans	-104.5	-165.8	166.8	-115.2	-177.9	-179.1	179.2	0	109.3
681	P	44.8	Very low	29.6	Very low	120 Å²	120	138 Å²	138	78%	0.779	77%	0.771	S	S	*	*			cis	-115.7	175.5	2.8	7.5	20.2	0	0	0	113.8
682	S	26.3	Very low	29.9	Very low	97 Å²	97	138 Å²	138	68%	0.678	77%	0.771	S	S	*	*			cis	-149.2	-124	49.6	64.6	0	0	0	0	117.5
683	V	29.9	Very low	30	Very low	129 Å²	129	133.7 Å²	133.7	78%	0.782	77%	0.765	S	S	*	*			trans	-162	166.8	-151.2	-67	0	0	0	0	111.6
684	S	28.3	Very low	30.2	Very low	103 Å²	103	134.6 Å²	134.6	72%	0.72	78%	0.775	S	S	*	*			cis	-175.3	172	-34.9	64.3	0	0	0	0	110.4
685	A	29.3	Very low	30.1	Very low	91 Å²	91	128.1 Å²	128.1	75%	0.752	77%	0.774	S	S	*	*			trans	74.3	157.8	158.6	0	0	0	0	0	118
686	T	28.9	Very low	30.2	Very low	138 Å²	138	128.1 Å²	128.1	85%	0.847	77%	0.774	S	S	*	*			cis	-134	175.6	5.9	43.9	0	0	0	0	112.8
687	E	28.8	Very low	30.6	Very low	151 Å²	151	131 Å²	131	71%	0.706	78%	0.779	S	S	*	*			trans	-112.7	147.2	172.9	-95.3	-158	110.6	0	0	114.8
688	K	35.5	Very low	31	Very low	168 Å²	168	130.8 Å²	130.8	73%	0.73	78%	0.777	S	S	*	*			trans	36.2	123.6	140.1	-67.7	-177.2	-172.3	133.5	0	123.7
689	V	27.7	Very low	31.5	Very low	125 Å²	125	130.9 Å²	130.9	76%	0.758	78%	0.778	S	S	*	*				88	146.3	120.7	171.1	0	0	0	0	121.5
690	L	26.6	Very low	31.6	Very low	164 Å²	164	132.5 Å²	132.5	86%	0.859	78%	0.783	S	S	*	*			trans	81.3	150.6	165.3	-89.8	163.5	0	0	0	120.3
691	S	30.4	Very low	31.8	Very low	106 Å²	106	131.8 Å²	131.8	74%	0.741	78%	0.776	S	S	*	*			trans	-119.3	161.7	-174	-48.3	0	0	0	0	111.2
692	T	29.7	Very low	31.5	Very low	133 Å²	133	131.6 Å²	131.6	82%	0.816	77%	0.769	S	S	*	*			trans	176.6	158.1	130.3	-75.8	0	0	0	0	111.4
693	S	32.1	Very low	32.7	Very low	95 Å²	95	131.4 Å²	131.4	66%	0.664	77%	0.765	S	S	*	*			trans	-44	162.1	-179	55.1	0	0	0	0	116.9
694	T	31.9	Very low	33.3	Very low	134 Å²	134	129.5 Å²	129.5	82%	0.822	76%	0.763	S	S	*	*				-169.5	161.5	56	50.8	0	0	0	0	114
695	G	31.4	Very low	34.1	Very low	77 Å²	77	127.8 Å²	127.8	79%	0.794	76%	0.755	S	S	*	*			trans	125.1	123.4	138.9	0	0	0	0	0	120.8
696	L	32.2	Very low	34.6	Very low	170 Å²	170	128.8 Å²	128.8	89%	0.89	75%	0.747	S	S	*	*			trans	-50	164.7	168.3	-62.4	138.4	0	0	0	115.5
697	T	35.5	Very low	35.2	Very low	130 Å²	130	132 Å²	132	80%	0.798	75%	0.749	S	S	*	*			cis	-154.5	178	37.8	52.6	0	0	0	0	115
698	K	34.4	Very low	36.2	Very low	190 Å²	190	129.5 Å²	129.5	83%	0.826	76%	0.755	S	S	*	*			trans	-41	156.2	175.3	-54.3	173.1	178.4	174.1	0	116.3
699	T	38.1	Very low	36.4	Very low	123 Å²	123	124.7 Å²	124.7	76%	0.755	75%	0.746	S	S	*	*				-172.5	173.4	64.2	43.1	0	0	0	0	114.3
700	V	33.8	Very low	37.2	Very low	147 Å²	147	127.6 Å²	127.6	89%	0.891	75%	0.752	S	S	*	*			trans	81.3	141.2	165.5	-166.1	0	0	0	0	116.5
701	Y	32.1	Very low	38	Very low	176 Å²	176	127 Å²	127	69%	0.69	74%	0.742	S	S	*	*			trans	-140.6	128.4	-160.9	173	-94.6	0	0	0	110.1	P703 L706	Y701-P703 HydrophobicContact CE1-CB 3.95Å; Y701-P703 HydrophobicContact CE1-CG 4.48Å; Y701-L706 HydrophobicContact CE2-CD1 4.21Å
702	N	39.3	Very low	38.6	Very low	117 Å²	117	127.8 Å²	127.8	63%	0.626	74%	0.742	S	S	*	*			trans	-122	112.5	173.2	-176.3	-16.1	0	0	0	109.4	A704	N702-A704 PolarHBondContact O-N 2.79Å; N702-A704 VanDerWaalsContact O-N 3.13Å; N702-A704 PolarHBondContact OD1-N 3.04Å
703	P	50	Low	39.2	Very low	92 Å²	92	129 Å²	129	60%	0.597	74%	0.743	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.9	-7.7	-169.6	27.9	-35.2	0	0	0	115	Y701 A705	Y701-P703 HydrophobicContact CE1-CB 3.95Å; Y701-P703 HydrophobicContact CE1-CG 4.48Å; P703-A705 VanDerWaalsContact C-N 3.33Å; P703-A705 PolarHBondContact O-N 3.21Å
704	A	43	Very low	39.7	Very low	90 Å²	90	129.2 Å²	129.2	74%	0.744	74%	0.736	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.7	-23.2	-179.4	0	0	0	0	0	114.3	N702	N702-A704 PolarHBondContact O-N 2.79Å; N702-A704 VanDerWaalsContact O-N 3.13Å; N702-A704 PolarHBondContact OD1-N 3.04Å
705	A	46.4	Very low	40.1	Very low	67 Å²	67	128.4 Å²	128.4	55%	0.554	73%	0.731	S	S	*	*	S	Bend	trans	-83	-26	-174.2	0	0	0	0	0	114.3	P703 K707 A708	P703-A705 VanDerWaalsContact C-N 3.33Å; P703-A705 PolarHBondContact O-N 3.21Å; A705-K707 VanDerWaalsContact C-N 3.32Å; A705-K707 PolarHBondContact O-N 3.07Å; A705-K707 VanDerWaalsContact O-N 3.12Å; A705-A708 PolarHBondContact O-N 3.32Å
706	L	40	Very low	40.7	Very low	111 Å²	111	127.3 Å²	127.3	58%	0.581	71%	0.711	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.3	43	-166.5	-66.6	177.9	0	0	0	114.8	Y701	Y701-L706 HydrophobicContact CE2-CD1 4.21Å
707	K	41	Very low	41.2	Very low	206 Å²	206	124.9 Å²	124.9	90%	0.896	70%	0.704	S	S	*	*	T	Hydrogen-bonded Turn	trans	-122.1	-3.5	154.1	-79.8	-170.9	175.2	179.8	0	114	A705	A705-K707 VanDerWaalsContact C-N 3.32Å; A705-K707 PolarHBondContact O-N 3.07Å; A705-K707 VanDerWaalsContact O-N 3.12Å
708	A	49.7	Very low	41.9	Very low	99 Å²	99	122.1 Å²	122.1	82%	0.818	69%	0.69	S	S	*	*	S	Bend	trans	-88.4	-2	177.4	0	0	0	0	0	114.3	A705	A705-A708 PolarHBondContact O-N 3.32Å
709	A	39.9	Very low	42.7	Very low	67 Å²	67	115.5 Å²	115.5	55%	0.554	67%	0.67	S	S	*	*	S	Bend	trans	-128.4	19.8	-166	0	0	0	0	0	115.3
710	Q	44.7	Very low	43.5	Very low	186 Å²	186	114 Å²	114	87%	0.869	66%	0.661	S	S	*	*	S	Bend	trans	-136.8	55.9	178.7	-72.8	-166.6	-20	0	0	114.1
711	K	42.3	Very low	44.6	Very low	150 Å²	150	111.8 Å²	111.8	65%	0.652	64%	0.644	S	S	*	*			trans	-150	54.3	152.5	-154.9	-176	-179.4	-174.6	0	112.1
712	T	42.3	Very low	46.2	Very low	123 Å²	123	108.3 Å²	108.3	76%	0.755	64%	0.637	S	S	*	*			trans	-128.1	68.8	-175.4	-43.4	0	0	0	0	112.4
713	L	42.9	Very low	47.9	Very low	158 Å²	158	108 Å²	108	83%	0.827	64%	0.636	S	S	*	*	S	Bend	trans	-163.4	159.1	137.5	-127.3	80.8	0	0	0	108.6
714	L	43.3	Very low	49.5	Very low	100 Å²	100	108.1 Å²	108.1	52%	0.524	63%	0.628	S	S	.	*			trans	59.2	68.7	177.8	-71.2	162.7	0	0	0	116.4	S402 V403	S402-L714 PolarHBondContact OG-O 2.58Å; V403-L714 WeakPolarHBondContact O-CD1 3.26Å
715	V	40.4	Very low	51.2	Low	117 Å²	117	106.5 Å²	106.5	71%	0.709	62%	0.615	S	S	*	*			trans	-103.5	139.6	157.3	173.9	0	0	0	0	109.4
716	S	42.8	Very low	52.9	Low	55 Å²	55	109.1 Å²	109.1	39%	0.385	62%	0.616	S	S	.	*			trans	-70.7	132.2	-176.6	-45.5	0	0	0	0	112.8	S718 A719	S716-S718 VanDerWaalsContact C-N 3.32Å; S716-S718 PolarHBondContact O-N 3.12Å; S716-A719 PolarHBondContact O-N 3.2Å
717	T	44.1	Very low	55.3	Low	119 Å²	119	109.3 Å²	109.3	73%	0.73	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.6	-40.6	176.6	42.9	0	0	0	0	112.9	A719 V720	T717-A719 PolarHBondContact O-N 2.96Å; T717-V720 PolarHBondContact O-N 3.26Å
718	S	49.3	Very low	57.5	Low	72 Å²	72	105.4 Å²	105.4	50%	0.503	60%	0.595	S	S	.	*	H	α-helix	trans	-63.7	-8.2	-175.7	57.4	0	0	0	0	116.6	S716 N722	S716-S718 VanDerWaalsContact C-N 3.32Å; S716-S718 PolarHBondContact O-N 3.12Å; S718-N722 PolarHBondContact O-ND2 2.88Å
719	A	51.5	Low	59.2	Low	51 Å²	51	107.8 Å²	107.8	42%	0.421	59%	0.587	S	S	.	*	H	α-helix	trans	-85.8	-26.3	179.2	0	0	0	0	0	113.6	S716 T717 N723	S716-A719 PolarHBondContact O-N 3.2Å; T717-A719 PolarHBondContact O-N 2.96Å; A719-N723 PolarHBondContact O-ND2 3.47Å
720	V	54.8	Low	61.5	Low	92 Å²	92	110.9 Å²	110.9	56%	0.558	59%	0.59	S	S	*	*	H	α-helix	trans	-78.1	-50	-179.1	-177.1	0	0	0	0	109.8	T717 N722 N723 E724	T717-V720 PolarHBondContact O-N 3.26Å; V720-N722 PolarHBondContact O-N 2.85Å; V720-N722 VanDerWaalsContact O-N 3.14Å; V720-N723 WeakPolarHBondContact O-CB 3.44Å; V720-N723 PolarHBondContact O-N 2.91Å; V720-E724 PolarHBondContact O-N 3.34Å
721	D	56.9	Low	63.7	Low	100 Å²	100	106.6 Å²	106.6	54%	0.535	57%	0.57	S	S	.	*	H	α-helix	trans	-52.8	-38.8	179.3	-46.9	-27.1	0	0	0	112.4	E724 A725	D721-E724 PolarHBondContact O-N 2.88Å; D721-A725 WeakPolarHBondContact O-CB 3.13Å; D721-A725 PolarHBondContact O-N 2.86Å
722	N	65.2	Low	65.8	Low	102 Å²	102	102.2 Å²	102.2	55%	0.545	56%	0.562	S	S	.	*	H	α-helix	trans	-68.5	-33.3	178.2	-88	-80.5	0	0	0	113.3	S718 V720 Q726	S718-N722 PolarHBondContact O-ND2 2.88Å; V720-N722 PolarHBondContact O-N 2.85Å; V720-N722 VanDerWaalsContact O-N 3.14Å; N722-Q726 WeakPolarHBondContact O-CG 3.2Å; N722-Q726 PolarHBondContact O-N 3.49Å
723	N	76.4	Confident	68.1	Low	112 Å²	112	100.7 Å²	100.7	60%	0.599	55%	0.549	S	S	*	.	H	α-helix	trans	-75.1	-40.5	174	-79.6	-86.5	0	0	0	110.9	A719 V720 Q726 K727	A719-N723 PolarHBondContact O-ND2 3.47Å; V720-N723 WeakPolarHBondContact O-CB 3.44Å; V720-N723 PolarHBondContact O-N 2.91Å; N723-Q726 PolarHBondContact O-N 2.67Å; N723-K727 PolarHBondContact O-N 2.94Å
724	E	82.7	Confident	70.5	Confident	94 Å²	94	99.5 Å²	99.5	44%	0.439	54%	0.537	S	S	.	.	H	α-helix	trans	-66.2	-41	176.7	-162.1	-177.8	121.2	0	0	111.8	V720 D721 Q726 K727 K728	V720-E724 PolarHBondContact O-N 3.34Å; D721-E724 PolarHBondContact O-N 2.88Å; E724-Q726 VanDerWaalsContact C-N 3.32Å; E724-Q726 PolarHBondContact O-N 3.32Å; E724-K727 PolarHBondContact O-N 3.24Å; E724-K727 VanDerWaalsContact O-N 3.16Å; E724-K728 HydrophobicContact CG-CD 4.23Å; E724-K728 WeakPolarHBondContact O-CB 3.37Å; E724-K728 WeakPolarHBondContact O-CG 3.45Å; E724-K728 PolarHBondContact O-N 3.44Å; E724-K728 WeakPolarHBondContact OE1-CE 2.99Å; E724-K728 IonicContact OE1-NZ 2.7Å; E724-K728 PolarHBondContact OE1-NZ 2.84Å
725	A	78.3	Confident	72.8	Confident	56 Å²	56	99.8 Å²	99.8	46%	0.463	54%	0.538	S	S	.	.	H	α-helix	trans	-61.5	-37.7	173.1	0	0	0	0	0	112.3	D721 K729	D721-A725 WeakPolarHBondContact O-CB 3.13Å; D721-A725 PolarHBondContact O-N 2.86Å; A725-K729 WeakPolarHBondContact O-CB 3.36Å; A725-K729 PolarHBondContact O-N 3.49Å
726	Q	81.7	Confident	75.1	Confident	121 Å²	121	99.1 Å²	99.1	57%	0.565	53%	0.527	S	S	*	.	H	α-helix	trans	-67.4	-40	172.7	-75.7	-175.1	29.4	0	0	112.3	N722 N723 E724 K729 Q730	N722-Q726 WeakPolarHBondContact O-CG 3.2Å; N722-Q726 PolarHBondContact O-N 3.49Å; N723-Q726 PolarHBondContact O-N 2.67Å; E724-Q726 VanDerWaalsContact C-N 3.32Å; E724-Q726 PolarHBondContact O-N 3.32Å; Q726-K729 PolarHBondContact O-N 3.47Å; Q726-Q730 WeakPolarHBondContact O-CG 3.08Å; Q726-Q730 PolarHBondContact O-N 3.46Å
727	K	90.4	Very high	77.5	Confident	115 Å²	115	102.5 Å²	102.5	50%	0.5	54%	0.537	S	S	.	.	H	α-helix	trans	-64.1	-50.9	175.3	-175.6	174.3	176.1	-66.7	0	111.5	N723 E724 K729 Q730 E731	N723-K727 PolarHBondContact O-N 2.94Å; E724-K727 PolarHBondContact O-N 3.24Å; E724-K727 VanDerWaalsContact O-N 3.16Å; K727-K729 VanDerWaalsContact C-N 3.26Å; K727-K729 PolarHBondContact O-N 2.95Å; K727-Q730 PolarHBondContact O-N 3.12Å; K727-E731 WeakPolarHBondContact CE-OE1 3.38Å; K727-E731 IonicContact NZ-OE1 3.57Å; K727-E731 PolarHBondContact NZ-OE1 2.95Å; K727-E731 IonicContact NZ-OE2 3.91Å; K727-E731 PolarHBondContact NZ-OE2 3.49Å; K727-E731 WeakPolarHBondContact O-CG 3.46Å; K727-E731 PolarHBondContact O-N 3.23Å
728	K	88.3	Confident	79.7	Confident	124 Å²	124	99.8 Å²	99.8	54%	0.539	52%	0.518	S	S	.	.	H	α-helix	trans	-54.9	-39.3	173.3	-76.9	172.1	165.6	168.6	0	111.8	E724 E731 A732	E724-K728 HydrophobicContact CG-CD 4.23Å; E724-K728 WeakPolarHBondContact O-CB 3.37Å; E724-K728 WeakPolarHBondContact O-CG 3.45Å; E724-K728 PolarHBondContact O-N 3.44Å; E724-K728 WeakPolarHBondContact OE1-CE 2.99Å; E724-K728 IonicContact OE1-NZ 2.7Å; E724-K728 PolarHBondContact OE1-NZ 2.84Å; K728-E731 PolarHBondContact O-N 2.98Å; K728-A732 VanDerWaalsContact O-CB 3.31Å; K728-A732 WeakPolarHBondContact O-CB 3.38Å; K728-A732 PolarHBondContact O-N 2.66Å
729	K	84.6	Confident	81.8	Confident	149 Å²	149	99.4 Å²	99.4	65%	0.648	51%	0.513	S	S	*	.	H	α-helix	trans	-67.8	-37.8	175	-173.9	170.9	-176.6	170.7	0	113.5	A725 Q726 K727 L733	A725-K729 WeakPolarHBondContact O-CB 3.36Å; A725-K729 PolarHBondContact O-N 3.49Å; Q726-K729 PolarHBondContact O-N 3.47Å; K727-K729 VanDerWaalsContact C-N 3.26Å; K727-K729 PolarHBondContact O-N 2.95Å; K729-L733 VanDerWaalsContact O-CG 3.3Å; K729-L733 WeakPolarHBondContact O-CG 3.3Å; K729-L733 PolarHBondContact O-N 2.8Å; K729-L733 VanDerWaalsContact O-N 3.12Å
730	Q	88.2	Confident	83.4	Confident	133 Å²	133	101.1 Å²	101.1	62%	0.621	51%	0.508	S	S	*	.	H	α-helix	trans	-68.4	-40.7	173.2	-70.5	178.5	21.5	0	0	111.5	Q726 K727 L733 K734	Q726-Q730 WeakPolarHBondContact O-CG 3.08Å; Q726-Q730 PolarHBondContact O-N 3.46Å; K727-Q730 PolarHBondContact O-N 3.12Å; Q730-L733 PolarHBondContact O-N 3.03Å; Q730-K734 PolarHBondContact O-N 2.86Å
731	E	92	Very high	85.2	Confident	95 Å²	95	103.1 Å²	103.1	44%	0.444	51%	0.509	S	S	.	.	H	α-helix	trans	-66.7	-41.3	178.1	-72.5	168.8	167.2	0	0	111.6	K727 K728 K734 L735	K727-E731 WeakPolarHBondContact CE-OE1 3.38Å; K727-E731 IonicContact NZ-OE1 3.57Å; K727-E731 PolarHBondContact NZ-OE1 2.95Å; K727-E731 IonicContact NZ-OE2 3.91Å; K727-E731 PolarHBondContact NZ-OE2 3.49Å; K727-E731 WeakPolarHBondContact O-CG 3.46Å; K727-E731 PolarHBondContact O-N 3.23Å; K728-E731 PolarHBondContact O-N 2.98Å; E731-K734 PolarHBondContact O-N 3.46Å; E731-L735 WeakPolarHBondContact O-CB 3.13Å; E731-L735 PolarHBondContact O-N 3.15Å
732	A	85.8	Confident	86.9	Confident	59 Å²	59	105.6 Å²	105.6	49%	0.488	51%	0.511	S	S	.	.	H	α-helix	trans	-63	-39.9	172.2	0	0	0	0	0	112.8	K728 L735 Q736	K728-A732 VanDerWaalsContact O-CB 3.31Å; K728-A732 WeakPolarHBondContact O-CB 3.38Å; K728-A732 PolarHBondContact O-N 2.66Å; A732-L735 PolarHBondContact O-N 3.25Å; A732-Q736 WeakPolarHBondContact O-CB 3.49Å; A732-Q736 PolarHBondContact O-N 2.94Å
733	L	90.2	Very high	88	Confident	91 Å²	91	104.1 Å²	104.1	48%	0.476	50%	0.5	S	S	.	.	H	α-helix	trans	-65.6	-39.7	174.4	-76.5	170	0	0	0	112	K729 Q730 Q736 Q737	K729-L733 VanDerWaalsContact O-CG 3.3Å; K729-L733 WeakPolarHBondContact O-CG 3.3Å; K729-L733 PolarHBondContact O-N 2.8Å; K729-L733 VanDerWaalsContact O-N 3.12Å; Q730-L733 PolarHBondContact O-N 3.03Å; L733-Q736 PolarHBondContact O-N 2.88Å; L733-Q737 WeakPolarHBondContact O-CG 3.14Å; L733-Q737 PolarHBondContact O-N 2.88Å; L733-Q737 VanDerWaalsContact O-N 3.11Å
734	K	93.9	Very high	88.7	Confident	133 Å²	133	104 Å²	104	58%	0.578	50%	0.496	S	S	*	.	H	α-helix	trans	-64.3	-46.2	173.9	-174	-176.8	175	-172.8	0	111.2	Q730 E731 Q736 Q737 D738	Q730-K734 PolarHBondContact O-N 2.86Å; E731-K734 PolarHBondContact O-N 3.46Å; K734-Q736 VanDerWaalsContact C-N 3.28Å; K734-Q736 PolarHBondContact O-N 3.38Å; K734-Q737 WeakPolarHBondContact O-CA 3.24Å; K734-Q737 WeakPolarHBondContact O-CB 3.48Å; K734-Q737 PolarHBondContact O-N 3.37Å; K734-D738 PolarHBondContact O-N 3.45Å
735	L	92.4	Very high	89.3	Confident	105 Å²	105	103.6 Å²	103.6	55%	0.55	49%	0.494	S	S	.	.	H	α-helix	trans	-58.4	-40.3	175.8	-172.7	66.7	0	0	0	111.5	E731 A732 Q737 D738 V739	E731-L735 WeakPolarHBondContact O-CB 3.13Å; E731-L735 PolarHBondContact O-N 3.15Å; A732-L735 PolarHBondContact O-N 3.25Å; L735-Q737 VanDerWaalsContact C-N 3.31Å; L735-Q737 PolarHBondContact O-N 3.43Å; L735-D738 PolarHBondContact O-N 3.32Å; L735-V739 WeakPolarHBondContact O-CB 3.33Å; L735-V739 VanDerWaalsContact O-CG2 3.3Å; L735-V739 WeakPolarHBondContact O-CG2 3.34Å; L735-V739 PolarHBondContact O-N 2.91Å
736	Q	88.7	Confident	90.1	Very high	103 Å²	103	104.6 Å²	104.6	48%	0.481	49%	0.49	S	S	.	.	H	α-helix	trans	-65.7	-31.6	175	-160.3	-170.6	70	0	0	112.7	A732 L733 K734 R740	A732-Q736 WeakPolarHBondContact O-CB 3.49Å; A732-Q736 PolarHBondContact O-N 2.94Å; L733-Q736 PolarHBondContact O-N 2.88Å; K734-Q736 VanDerWaalsContact C-N 3.28Å; K734-Q736 PolarHBondContact O-N 3.38Å; Q736-R740 WeakPolarHBondContact O-CG 3.38Å; Q736-R740 PolarHBondContact O-N 3.21Å; Q736-R740 VanDerWaalsContact O-N 3.15Å
737	Q	91.6	Very high	90.7	Very high	126 Å²	126	99.9 Å²	99.9	59%	0.589	47%	0.469	S	S	*	.	H	α-helix	trans	-72.1	-44.1	172.3	-69.4	176.8	10.4	0	0	111.7	L733 K734 L735 V739 R740 K741	L733-Q737 WeakPolarHBondContact O-CG 3.14Å; L733-Q737 PolarHBondContact O-N 2.88Å; L733-Q737 VanDerWaalsContact O-N 3.11Å; K734-Q737 WeakPolarHBondContact O-CA 3.24Å; K734-Q737 WeakPolarHBondContact O-CB 3.48Å; K734-Q737 PolarHBondContact O-N 3.37Å; L735-Q737 VanDerWaalsContact C-N 3.31Å; L735-Q737 PolarHBondContact O-N 3.43Å; Q737-V739 VanDerWaalsContact C-N 3.34Å; Q737-V739 PolarHBondContact O-N 3.08Å; Q737-R740 WeakPolarHBondContact O-CB 3.08Å; Q737-R740 PolarHBondContact O-N 2.82Å; Q737-K741 WeakPolarHBondContact O-CB 3.41Å; Q737-K741 PolarHBondContact O-N 3.23Å
738	D	91.4	Very high	90.8	Very high	63 Å²	63	100.2 Å²	100.2	34%	0.337	47%	0.473	S	S	.	.	H	α-helix	trans	-64.6	-37	177.4	-74.5	-34.3	0	0	0	111.8	K734 L735 K741 R742	K734-D738 PolarHBondContact O-N 3.45Å; L735-D738 PolarHBondContact O-N 3.32Å; D738-K741 PolarHBondContact O-N 2.87Å; D738-R742 WeakPolarHBondContact O-CB 3.38Å; D738-R742 VanDerWaalsContact O-CG 3.27Å; D738-R742 WeakPolarHBondContact O-CG 3.47Å; D738-R742 PolarHBondContact O-N 2.7Å
739	V	92.3	Very high	91.2	Very high	64 Å²	64	99.4 Å²	99.4	39%	0.388	47%	0.469	S	S	.	.	H	α-helix	trans	-64.8	-43.5	171.7	169.2	0	0	0	0	111.6	L735 Q737 K741 R742 K743	L735-V739 WeakPolarHBondContact O-CB 3.33Å; L735-V739 VanDerWaalsContact O-CG2 3.3Å; L735-V739 WeakPolarHBondContact O-CG2 3.34Å; L735-V739 PolarHBondContact O-N 2.91Å; Q737-V739 VanDerWaalsContact C-N 3.34Å; Q737-V739 PolarHBondContact O-N 3.08Å; V739-K741 VanDerWaalsContact C-N 3.34Å; V739-K741 PolarHBondContact O-N 2.84Å; V739-R742 PolarHBondContact O-N 2.68Å; V739-K743 PolarHBondContact O-N 3Å
740	R	84.8	Confident	91.5	Very high	86 Å²	86	94.5 Å²	94.5	33%	0.325	45%	0.448	S	S	.	.	H	α-helix	trans	-59.2	-45.1	173.2	-80.1	-179.4	175.9	105.4	0.4	111.7	Q736 Q737 K743 Q744 A796	Q736-R740 WeakPolarHBondContact O-CG 3.38Å; Q736-R740 PolarHBondContact O-N 3.21Å; Q736-R740 VanDerWaalsContact O-N 3.15Å; Q737-R740 WeakPolarHBondContact O-CB 3.08Å; Q737-R740 PolarHBondContact O-N 2.82Å; R740-K743 PolarHBondContact O-N 2.85Å; R740-Q744 WeakPolarHBondContact O-CG 3.5Å; R740-Q744 PolarHBondContact O-N 3.38Å; R740-A796 HydrophobicContact CG-CB 4.49Å; R740-A796 PolarHBondContact NE-O 3.04Å; R740-A796 PolarHBondContact NH2-O 2.85Å
741	K	93.7	Very high	91.9	Very high	134 Å²	134	90.8 Å²	90.8	58%	0.583	43%	0.432	S	S	*	.	H	α-helix	trans	-62.3	-45.4	178.4	-172.4	-178.6	177	-173.7	0	111.5	Q737 D738 V739 K743 Q744 E745	Q737-K741 WeakPolarHBondContact O-CB 3.41Å; Q737-K741 PolarHBondContact O-N 3.23Å; D738-K741 PolarHBondContact O-N 2.87Å; V739-K741 VanDerWaalsContact C-N 3.34Å; V739-K741 PolarHBondContact O-N 2.84Å; K741-K743 PolarHBondContact O-N 2.98Å; K741-Q744 WeakPolarHBondContact O-CB 3.44Å; K741-Q744 PolarHBondContact O-N 2.6Å; K741-E745 PolarHBondContact O-N 3.4Å
742	R	92.1	Very high	92	Very high	152 Å²	152	91.6 Å²	91.6	57%	0.574	44%	0.436	S	S	*	.	H	α-helix	trans	-59.9	-43	174.4	-72.7	171.1	-175.2	176.1	2.6	112	D738 V739 Q744 E745 I746	D738-R742 WeakPolarHBondContact O-CB 3.38Å; D738-R742 VanDerWaalsContact O-CG 3.27Å; D738-R742 WeakPolarHBondContact O-CG 3.47Å; D738-R742 PolarHBondContact O-N 2.7Å; V739-R742 PolarHBondContact O-N 2.68Å; R742-Q744 VanDerWaalsContact C-N 3.33Å; R742-Q744 PolarHBondContact O-N 3.22Å; R742-E745 PolarHBondContact O-N 2.98Å; R742-I746 WeakPolarHBondContact O-CD1 3.36Å; R742-I746 VanDerWaalsContact O-CG1 3.22Å; R742-I746 WeakPolarHBondContact O-CG1 3.4Å; R742-I746 PolarHBondContact O-N 3.07Å
743	K	88.5	Confident	92.2	Very high	71 Å²	71	91.3 Å²	91.3	31%	0.309	43%	0.428	S	S	.	.	H	α-helix	trans	-63.5	-36.4	175.2	-71.8	-162.6	179.1	-163.5	0	112.7	V739 R740 K741 L747 E792 V793	V739-K743 PolarHBondContact O-N 3Å; R740-K743 PolarHBondContact O-N 2.85Å; K741-K743 PolarHBondContact O-N 2.98Å; K743-L747 WeakPolarHBondContact O-CB 3.3Å; K743-L747 PolarHBondContact O-N 3.04Å; K743-E792 IonicContact NZ-OE2 2.67Å; K743-E792 PolarHBondContact NZ-OE2 3.36Å; K743-V793 HydrophobicContact CB-CG2 3.82Å
744	Q	91.4	Very high	92.3	Very high	110 Å²	110	88.9 Å²	88.9	51%	0.514	41%	0.414	S	S	.	.	H	α-helix	trans	-66.8	-44.4	173.5	-72.9	172.7	-22	0	0	112.1	R740 K741 R742 I746 L747 E748 V793	R740-Q744 WeakPolarHBondContact O-CG 3.5Å; R740-Q744 PolarHBondContact O-N 3.38Å; K741-Q744 WeakPolarHBondContact O-CB 3.44Å; K741-Q744 PolarHBondContact O-N 2.6Å; R742-Q744 VanDerWaalsContact C-N 3.33Å; R742-Q744 PolarHBondContact O-N 3.22Å; Q744-I746 PolarHBondContact O-N 3.47Å; Q744-L747 WeakPolarHBondContact O-CB 3.47Å; Q744-L747 PolarHBondContact O-N 3.03Å; Q744-E748 WeakPolarHBondContact O-CB 3.33Å; Q744-E748 PolarHBondContact O-N 2.63Å; Q744-V793 HydrophobicContact CG-CG1 3.94Å; Q744-V793 HydrophobicContact CG-CG2 4.42Å
745	E	95.1	Very high	92.3	Very high	85 Å²	85	89 Å²	89	40%	0.397	42%	0.415	S	S	.	.	H	α-helix	trans	-62.9	-39	177.5	-168.3	-166.3	133	0	0	112.4	K741 R742 E748 K749	K741-E745 PolarHBondContact O-N 3.4Å; R742-E745 PolarHBondContact O-N 2.98Å; E745-E748 PolarHBondContact O-N 3.12Å; E745-K749 HydrophobicContact CG-CD 4.45Å; E745-K749 WeakPolarHBondContact O-CB 3.26Å; E745-K749 WeakPolarHBondContact O-CG 3.3Å; E745-K749 PolarHBondContact O-N 3.14Å; E745-K749 IonicContact OE1-NZ 2.63Å; E745-K749 PolarHBondContact OE1-NZ 3.37Å
746	I	94.4	Very high	92.4	Very high	77 Å²	77	88.5 Å²	88.5	40%	0.395	41%	0.411	S	S	.	.	H	α-helix	trans	-67.3	-42.8	175	-66.2	163.5	0	0	0	110.6	R742 Q744 E748 K749 H750 L789	R742-I746 WeakPolarHBondContact O-CD1 3.36Å; R742-I746 VanDerWaalsContact O-CG1 3.22Å; R742-I746 WeakPolarHBondContact O-CG1 3.4Å; R742-I746 PolarHBondContact O-N 3.07Å; Q744-I746 PolarHBondContact O-N 3.47Å; I746-E748 VanDerWaalsContact C-N 3.33Å; I746-E748 PolarHBondContact O-N 3.12Å; I746-K749 PolarHBondContact O-N 3.02Å; I746-H750 PolarHBondContact O-CD2 2.88Å; I746-H750 PolarHBondContact O-N 3.05Å; I746-L789 HydrophobicContact CG2-CD1 3.87Å
747	L	94.5	Very high	92.5	Very high	22 Å²	22	84.9 Å²	84.9	12%	0.115	40%	0.395	C	S	.	.	H	α-helix	trans	-60.9	-41.2	174.5	177	62.1	0	0	0	111.7	K743 Q744 H750 I751 I786 L789 K790 V793	K743-L747 WeakPolarHBondContact O-CB 3.3Å; K743-L747 PolarHBondContact O-N 3.04Å; Q744-L747 WeakPolarHBondContact O-CB 3.47Å; Q744-L747 PolarHBondContact O-N 3.03Å; L747-H750 PolarHBondContact O-N 3.39Å; L747-I751 HydrophobicContact CD1-CD1 4.18Å; L747-I751 HydrophobicContact CG-CD1 4.09Å; L747-I751 WeakPolarHBondContact O-CG1 3.4Å; L747-I751 PolarHBondContact O-N 2.77Å; L747-I786 HydrophobicContact CD1-CB 4.41Å; L747-I786 HydrophobicContact CD1-CG2 3.97Å; L747-L789 HydrophobicContact CB-CB 4.45Å; L747-L789 HydrophobicContact CD1-CB 4Å; L747-K790 HydrophobicContact CD1-CB 4.21Å; L747-K790 HydrophobicContact CD2-CB 4.29Å; L747-V793 HydrophobicContact CD2-CB 4.41Å; L747-V793 HydrophobicContact CD2-CG2 4.32Å
748	E	93.7	Very high	92.5	Very high	123 Å²	123	82 Å²	82	58%	0.575	38%	0.382	S	S	*	.	H	α-helix	trans	-63	-49	175.9	-173.4	157	-132.9	0	0	111.5	Q744 E745 I746 H750 I751 E752	Q744-E748 WeakPolarHBondContact O-CB 3.33Å; Q744-E748 PolarHBondContact O-N 2.63Å; E745-E748 PolarHBondContact O-N 3.12Å; I746-E748 VanDerWaalsContact C-N 3.33Å; I746-E748 PolarHBondContact O-N 3.12Å; E748-H750 VanDerWaalsContact C-N 3.28Å; E748-H750 PolarHBondContact O-N 3.29Å; E748-I751 CarbonylContact O-C 3.56Å; E748-I751 WeakPolarHBondContact O-CA 3.11Å; E748-I751 WeakPolarHBondContact O-CB 3.4Å; E748-I751 PolarHBondContact O-N 3.12Å; E748-E752 WeakPolarHBondContact O-CG 3.48Å; E748-E752 PolarHBondContact O-N 2.94Å
749	K	95.4	Very high	92.5	Very high	106 Å²	106	80.3 Å²	80.3	46%	0.461	38%	0.376	S	S	.	.	H	α-helix	trans	-58.4	-35.3	174.9	-75.6	167.9	173.1	172.8	0	113.5	E745 I746 T753	E745-K749 HydrophobicContact CG-CD 4.45Å; E745-K749 WeakPolarHBondContact O-CB 3.26Å; E745-K749 WeakPolarHBondContact O-CG 3.3Å; E745-K749 PolarHBondContact O-N 3.14Å; E745-K749 IonicContact OE1-NZ 2.63Å; E745-K749 PolarHBondContact OE1-NZ 3.37Å; I746-K749 PolarHBondContact O-N 3.02Å; K749-T753 WeakPolarHBondContact O-CG2 3.15Å; K749-T753 PolarHBondContact O-N 2.84Å; K749-T753 PolarHBondContact O-OG1 3.36Å
750	H	92.3	Very high	92.3	Very high	47 Å²	47	81.8 Å²	81.8	22%	0.218	38%	0.377	C	S	.	.	H	α-helix	trans	-69.6	-37.9	172.2	-74.5	-59	0	0	0	112.7	I746 L747 E748 T753 Q754 L782 I786 L789	I746-H750 PolarHBondContact O-CD2 2.88Å; I746-H750 PolarHBondContact O-N 3.05Å; L747-H750 PolarHBondContact O-N 3.39Å; E748-H750 VanDerWaalsContact C-N 3.28Å; E748-H750 PolarHBondContact O-N 3.29Å; H750-T753 WeakPolarHBondContact CA-OG1 3.44Å; H750-T753 PolarHBondContact O-OG1 2.94Å; H750-Q754 VanDerWaalsContact O-CB 3.32Å; H750-Q754 WeakPolarHBondContact O-CB 3.45Å; H750-Q754 PolarHBondContact O-N 3.03Å; H750-L782 HydrophobicContact CB-CD2 4.42Å; H750-L782 VanDerWaalsContact ND1-CD2 3.32Å; H750-L782 WeakPolarHBondContact ND1-CD2 3.42Å; H750-I786 HydrophobicContact CB-CD1 4.18Å; H750-I786 HydrophobicContact CB-CG1 3.6Å; H750-L789 WeakPolarHBondContact CD2-CD1 3.32Å
751	I	95.1	Very high	92.3	Very high	54 Å²	54	79.7 Å²	79.7	28%	0.277	37%	0.372	S	S	.	.	H	α-helix	trans	-67.7	-37.9	174.5	-69.2	164.8	0	0	0	111.1	L747 E748 Q754 K755 I786	L747-I751 HydrophobicContact CD1-CD1 4.18Å; L747-I751 HydrophobicContact CG-CD1 4.09Å; L747-I751 WeakPolarHBondContact O-CG1 3.4Å; L747-I751 PolarHBondContact O-N 2.77Å; E748-I751 CarbonylContact O-C 3.56Å; E748-I751 WeakPolarHBondContact O-CA 3.11Å; E748-I751 WeakPolarHBondContact O-CB 3.4Å; E748-I751 PolarHBondContact O-N 3.12Å; I751-Q754 PolarHBondContact O-N 3.29Å; I751-K755 HydrophobicContact CG2-CD 4.1Å; I751-K755 WeakPolarHBondContact O-CB 3.45Å; I751-K755 VanDerWaalsContact O-CG 3.24Å; I751-K755 WeakPolarHBondContact O-CG 3.41Å; I751-K755 PolarHBondContact O-N 2.83Å; I751-I786 HydrophobicContact CG1-CD1 4.12Å; I751-I786 HydrophobicContact CG1-CG1 4.29Å; I751-I786 HydrophobicContact CG1-CG2 4.14Å
752	E	94.9	Very high	92.1	Very high	112 Å²	112	79.5 Å²	79.5	52%	0.523	37%	0.373	S	S	.	.	H	α-helix	trans	-64.1	-46.6	174.3	-71	-178	143	0	0	112.3	E748 K755 M756	E748-E752 WeakPolarHBondContact O-CG 3.48Å; E748-E752 PolarHBondContact O-N 2.94Å; E752-K755 PolarHBondContact O-N 3.24Å; E752-M756 WeakPolarHBondContact O-CB 3.24Å; E752-M756 PolarHBondContact O-N 3.18Å
753	T	90.4	Very high	91.8	Very high	53 Å²	53	79.8 Å²	79.8	33%	0.325	38%	0.379	S	S	.	.	H	α-helix	trans	-65.2	-38.5	176.2	45.9	0	0	0	0	112	K749 H750 M756 L757	K749-T753 WeakPolarHBondContact O-CG2 3.15Å; K749-T753 PolarHBondContact O-N 2.84Å; K749-T753 PolarHBondContact O-OG1 3.36Å; H750-T753 WeakPolarHBondContact CA-OG1 3.44Å; H750-T753 PolarHBondContact O-OG1 2.94Å; T753-M756 PolarHBondContact O-N 2.65Å; T753-L757 WeakPolarHBondContact O-CG 3.47Å; T753-L757 PolarHBondContact O-N 2.86Å
754	Q	92.4	Very high	91.2	Very high	40 Å²	40	80 Å²	80	19%	0.187	38%	0.383	C	S	.	.	H	α-helix	trans	-60.5	-48.2	171.6	-167	-167.7	35.9	0	0	111.6	H750 I751 M756 L757 I758 L779 T783 I786	H750-Q754 VanDerWaalsContact O-CB 3.32Å; H750-Q754 WeakPolarHBondContact O-CB 3.45Å; H750-Q754 PolarHBondContact O-N 3.03Å; I751-Q754 PolarHBondContact O-N 3.29Å; Q754-M756 VanDerWaalsContact C-N 3.34Å; Q754-M756 PolarHBondContact O-N 3.15Å; Q754-L757 PolarHBondContact O-N 3.28Å; Q754-I758 HydrophobicContact CG-CD1 4.09Å; Q754-I758 WeakPolarHBondContact O-CG1 3.33Å; Q754-I758 PolarHBondContact O-N 2.77Å; Q754-L779 HydrophobicContact CB-CD2 4.36Å; Q754-L779 HydrophobicContact CG-CD2 3.62Å; Q754-T783 PolarHBondContact NE2-OG1 3.35Å; Q754-I786 HydrophobicContact CB-CD1 3.88Å; Q754-I786 HydrophobicContact CG-CD1 4.18Å
755	K	93.4	Very high	90.6	Very high	136 Å²	136	83.3 Å²	83.3	59%	0.591	40%	0.396	S	S	*	.	H	α-helix	trans	-59.9	-40.5	175.4	-75.1	167.7	179.2	173.4	0	112.5	I751 E752 S759	I751-K755 HydrophobicContact CG2-CD 4.1Å; I751-K755 WeakPolarHBondContact O-CB 3.45Å; I751-K755 VanDerWaalsContact O-CG 3.24Å; I751-K755 WeakPolarHBondContact O-CG 3.41Å; I751-K755 PolarHBondContact O-N 2.83Å; E752-K755 PolarHBondContact O-N 3.24Å; K755-S759 WeakPolarHBondContact O-CB 3.29Å; K755-S759 PolarHBondContact O-N 2.79Å
756	M	93.4	Very high	89.8	Confident	94 Å²	94	85.8 Å²	85.8	46%	0.463	42%	0.417	S	S	.	.	H	α-helix	trans	-64.8	-42	178.1	-173	-124.8	-66.5	0	0	111.7	E752 T753 Q754 S759 K760	E752-M756 WeakPolarHBondContact O-CB 3.24Å; E752-M756 PolarHBondContact O-N 3.18Å; T753-M756 PolarHBondContact O-N 2.65Å; Q754-M756 VanDerWaalsContact C-N 3.34Å; Q754-M756 PolarHBondContact O-N 3.15Å; M756-S759 PolarHBondContact O-N 3.12Å; M756-K760 WeakPolarHBondContact O-CB 3.34Å; M756-K760 WeakPolarHBondContact O-CG 3.36Å; M756-K760 PolarHBondContact O-N 2.77Å; M756-K760 HydrophobicContact SD-CD 4.07Å; M756-K760 VanDerWaalsContact SD-CE 3.57Å; M756-K760 PolarHBondContact SD-NZ 3.09Å
757	L	91	Very high	88.9	Confident	27 Å²	27	84 Å²	84	14%	0.141	41%	0.408	C	S	.	.	H	α-helix	trans	-69.1	-41.2	176.9	-72.3	175.3	0	0	0	112.4	T753 Q754 K760 L761 I775 L779 L782	T753-L757 WeakPolarHBondContact O-CG 3.47Å; T753-L757 PolarHBondContact O-N 2.86Å; Q754-L757 PolarHBondContact O-N 3.28Å; L757-K760 HydrophobicContact CD2-CD 4.41Å; L757-K760 WeakPolarHBondContact O-CB 3.43Å; L757-K760 PolarHBondContact O-N 3.04Å; L757-L761 PolarHBondContact O-N 2.88Å; L757-I775 HydrophobicContact CB-CG2 3.95Å; L757-I775 HydrophobicContact CD2-CD1 4.25Å; L757-I775 HydrophobicContact CD2-CG1 4.26Å; L757-I775 HydrophobicContact CD2-CG2 4.04Å; L757-I775 HydrophobicContact CG-CG2 4.45Å; L757-L779 HydrophobicContact CB-CD1 4.4Å; L757-L779 HydrophobicContact CB-CD2 3.68Å; L757-L779 HydrophobicContact CB-CG 3.96Å; L757-L779 HydrophobicContact CD1-CD2 4.3Å; L757-L779 HydrophobicContact CD1-CG 4.38Å; L757-L782 HydrophobicContact CD1-CD1 3.57Å
758	I	91.5	Very high	88.6	Confident	65 Å²	65	89.1 Å²	89.1	33%	0.333	43%	0.429	S	S	.	.	H	α-helix	trans	-57.7	-50.4	170.9	-70.5	165	0	0	0	109.9	Q754 K760 L761 E762 L779	Q754-I758 HydrophobicContact CG-CD1 4.09Å; Q754-I758 WeakPolarHBondContact O-CG1 3.33Å; Q754-I758 PolarHBondContact O-N 2.77Å; I758-K760 PolarHBondContact O-N 3.01Å; I758-L761 WeakPolarHBondContact O-CB 3.44Å; I758-L761 PolarHBondContact O-N 3.14Å; I758-E762 HydrophobicContact CG2-CG 4.22Å; I758-E762 WeakPolarHBondContact CG2-OE1 3.19Å; I758-E762 WeakPolarHBondContact O-CG 3.47Å; I758-E762 PolarHBondContact O-N 2.6Å; I758-L779 HydrophobicContact CD1-CD2 4.47Å; I758-L779 HydrophobicContact CG1-CD1 4.14Å; I758-L779 HydrophobicContact CG1-CD2 3.91Å
759	S	92.8	Very high	88.1	Confident	29 Å²	29	87.8 Å²	87.8	20%	0.203	43%	0.433	C	S	.	.	H	α-helix	trans	-66	-26.9	-179.5	-153.7	0	0	0	0	113.2	K755 M756 E762 K763	K755-S759 WeakPolarHBondContact O-CB 3.29Å; K755-S759 PolarHBondContact O-N 2.79Å; M756-S759 PolarHBondContact O-N 3.12Å; S759-E762 WeakPolarHBondContact CA-OE2 3.38Å; S759-K763 VanDerWaalsContact O-CB 3.3Å; S759-K763 WeakPolarHBondContact O-CB 3.3Å; S759-K763 WeakPolarHBondContact O-CD 3.46Å; S759-K763 VanDerWaalsContact O-CG 3.29Å; S759-K763 WeakPolarHBondContact O-CG 3.32Å; S759-K763 PolarHBondContact O-N 3.16Å; S759-K763 VanDerWaalsContact O-N 3.09Å; S759-K763 WeakPolarHBondContact OG-CE 3.37Å; S759-K763 PolarHBondContact OG-NZ 2.7Å
760	K	87.5	Confident	87.6	Confident	94 Å²	94	89 Å²	89	41%	0.409	44%	0.441	S	S	.	.	H	α-helix	trans	-67.4	-41.9	169.5	-81.5	173	171.4	177.1	0	112.1	M756 L757 I758 N764 I775	M756-K760 WeakPolarHBondContact O-CB 3.34Å; M756-K760 WeakPolarHBondContact O-CG 3.36Å; M756-K760 PolarHBondContact O-N 2.77Å; M756-K760 HydrophobicContact SD-CD 4.07Å; M756-K760 VanDerWaalsContact SD-CE 3.57Å; M756-K760 PolarHBondContact SD-NZ 3.09Å; L757-K760 HydrophobicContact CD2-CD 4.41Å; L757-K760 WeakPolarHBondContact O-CB 3.43Å; L757-K760 PolarHBondContact O-N 3.04Å; I758-K760 PolarHBondContact O-N 3.01Å; K760-N764 WeakPolarHBondContact O-CB 3.38Å; K760-N764 PolarHBondContact O-N 3.15Å; K760-N764 VanDerWaalsContact O-N 3.09Å; K760-N764 PolarHBondContact O-ND2 2.88Å; K760-I775 HydrophobicContact CB-CD1 4.37Å
761	L	85.6	Confident	87.3	Confident	43 Å²	43	89.5 Å²	89.5	23%	0.225	45%	0.445	C	S	.	.	H	α-helix	trans	-64.9	-45.1	174	-69.6	178.7	0	0	0	112.1	L757 I758 M767 K772 I775 M776 L779	L757-L761 PolarHBondContact O-N 2.88Å; I758-L761 WeakPolarHBondContact O-CB 3.44Å; I758-L761 PolarHBondContact O-N 3.14Å; L761-M767 HydrophobicContact CD2-CE 3.95Å; L761-K772 HydrophobicContact CD2-CG 4.27Å; L761-I775 HydrophobicContact CD1-CG2 3.91Å; L761-I775 HydrophobicContact CD2-CB 4.02Å; L761-I775 HydrophobicContact CD2-CG2 3.83Å; L761-I775 HydrophobicContact CG-CB 4.41Å; L761-I775 HydrophobicContact CG-CG2 3.66Å; L761-M776 HydrophobicContact CD1-CG 4.45Å; L761-M776 HydrophobicContact CD1-SD 3.77Å; L761-L779 HydrophobicContact CD1-CD1 3.64Å
762	E	87.6	Confident	86.9	Confident	129 Å²	129	90.4 Å²	90.4	60%	0.603	45%	0.447	S	S	*	.	H	α-helix	trans	-62.5	-43.3	-178.8	-70.3	170.4	158.9	0	0	112.4	I758 S759	I758-E762 HydrophobicContact CG2-CG 4.22Å; I758-E762 WeakPolarHBondContact CG2-OE1 3.19Å; I758-E762 WeakPolarHBondContact O-CG 3.47Å; I758-E762 PolarHBondContact O-N 2.6Å; S759-E762 WeakPolarHBondContact CA-OE2 3.38Å
763	K	86.7	Confident	86.7	Confident	159 Å²	159	87.9 Å²	87.9	69%	0.691	45%	0.445	S	S	*	.	H	α-helix	trans	-79.5	-33.9	-177.3	-70.4	166.4	178.2	153.4	0	113	S759 K765	S759-K763 VanDerWaalsContact O-CB 3.3Å; S759-K763 WeakPolarHBondContact O-CB 3.3Å; S759-K763 WeakPolarHBondContact O-CD 3.46Å; S759-K763 VanDerWaalsContact O-CG 3.29Å; S759-K763 WeakPolarHBondContact O-CG 3.32Å; S759-K763 PolarHBondContact O-N 3.16Å; S759-K763 VanDerWaalsContact O-N 3.09Å; S759-K763 WeakPolarHBondContact OG-CE 3.37Å; S759-K763 PolarHBondContact OG-NZ 2.7Å; K763-K765 PolarHBondContact O-N 3.32Å
764	N	75.6	Confident	86.7	Confident	74 Å²	74	91.8 Å²	91.8	40%	0.396	46%	0.46	S	S	.	.			trans	-103.3	63.5	-174.5	-57.6	-75.6	0	0	0	112.5	K760 T766 M767	K760-N764 WeakPolarHBondContact O-CB 3.38Å; K760-N764 PolarHBondContact O-N 3.15Å; K760-N764 VanDerWaalsContact O-N 3.09Å; K760-N764 PolarHBondContact O-ND2 2.88Å; N764-T766 PolarHBondContact O-N 2.67Å; N764-M767 HydrophobicContact CB-CB 4.12Å; N764-M767 WeakPolarHBondContact O-CB 3.44Å; N764-M767 PolarHBondContact O-N 2.98Å
765	K	78.9	Confident	86.6	Confident	180 Å²	180	91 Å²	91	78%	0.783	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52	-30	175.5	-86.8	-175.7	174.1	177.9	0	113.6	K763 K772	K763-K765 PolarHBondContact O-N 3.32Å; K765-K772 PolarHBondContact O-NZ 3.43Å
766	T	78.9	Confident	86.5	Confident	138 Å²	138	89.3 Å²	89.3	85%	0.847	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	0.4	-178.7	47.2	0	0	0	0	115.6	N764	N764-T766 PolarHBondContact O-N 2.67Å
767	M	75.8	Confident	86.5	Confident	39 Å²	39	92.1 Å²	92.1	19%	0.192	46%	0.462	C	S	.	.	S	Bend	trans	-61.3	153.3	178.9	-157.2	179.2	66.9	0	0	112.2	L761 N764 D771 K772 I775	L761-M767 HydrophobicContact CD2-CE 3.95Å; N764-M767 HydrophobicContact CB-CB 4.12Å; N764-M767 WeakPolarHBondContact O-CB 3.44Å; N764-M767 PolarHBondContact O-N 2.98Å; M767-D771 HydrophobicContact CE-CB 3.71Å; M767-D771 HydrophobicContact CG-CB 3.75Å; M767-D771 HydrophobicContact SD-CB 3.88Å; M767-K772 HydrophobicContact CB-CG 4.41Å; M767-K772 HydrophobicContact CE-CB 4.17Å; M767-K772 HydrophobicContact CE-CG 3.51Å; M767-K772 WeakPolarHBondContact O-CE 3.48Å; M767-K772 PolarHBondContact O-NZ 2.94Å; M767-I775 HydrophobicContact CE-CD1 3.8Å; M767-I775 HydrophobicContact CE-CG1 4.33Å; M767-I775 HydrophobicContact SD-CD1 4.05Å
768	K	87	Confident	86.6	Confident	129 Å²	129	94 Å²	94	56%	0.561	47%	0.474	S	S	*	.			trans	-63.3	158	-176.7	-56.8	176.8	179.2	177.6	0	112.1	E770 D771 K772	K768-E770 VanDerWaalsContact C-N 3.3Å; K768-E770 PolarHBondContact O-N 2.81Å; K768-D771 HydrophobicContact CB-CB 4.37Å; K768-D771 WeakPolarHBondContact CB-OD2 3.31Å; K768-D771 WeakPolarHBondContact CG-OD2 3.46Å; K768-D771 PolarHBondContact N-OD2 2.95Å; K768-K772 VanDerWaalsContact O-CB 3.32Å; K768-K772 WeakPolarHBondContact O-CB 3.36Å; K768-K772 WeakPolarHBondContact O-CD 3.26Å; K768-K772 WeakPolarHBondContact O-CG 3.44Å; K768-K772 PolarHBondContact O-N 2.82Å
769	S	83.6	Confident	86.7	Confident	96 Å²	96	91.6 Å²	91.6	67%	0.671	46%	0.462	S	S	*	.	H	α-helix	trans	-61.2	-37.2	174.3	40	0	0	0	0	112.9	K772 A773	S769-K772 PolarHBondContact O-N 3.09Å; S769-A773 PolarHBondContact O-N 3.11Å
770	E	85.6	Confident	86.7	Confident	131 Å²	131	95 Å²	95	61%	0.612	48%	0.475	S	S	*	.	H	α-helix	trans	-65.9	-59.3	178.3	-65.4	159.9	162.4	0	0	110.5	K768 K772 A773 E774	K768-E770 VanDerWaalsContact C-N 3.3Å; K768-E770 PolarHBondContact O-N 2.81Å; E770-K772 PolarHBondContact O-N 3.12Å; E770-K772 VanDerWaalsContact O-N 3.13Å; E770-A773 WeakPolarHBondContact O-CA 3.36Å; E770-A773 WeakPolarHBondContact O-CB 3.42Å; E770-A773 PolarHBondContact O-N 3Å; E770-E774 PolarHBondContact O-N 3.39Å
771	D	85.3	Confident	87.1	Confident	57 Å²	57	94.1 Å²	94.1	31%	0.305	48%	0.477	S	S	.	.	H	α-helix	trans	-49.4	-40.1	172.8	-45.2	-16	0	0	0	112.2	M767 K768 E774 I775	M767-D771 HydrophobicContact CE-CB 3.71Å; M767-D771 HydrophobicContact CG-CB 3.75Å; M767-D771 HydrophobicContact SD-CB 3.88Å; K768-D771 HydrophobicContact CB-CB 4.37Å; K768-D771 WeakPolarHBondContact CB-OD2 3.31Å; K768-D771 WeakPolarHBondContact CG-OD2 3.46Å; K768-D771 PolarHBondContact N-OD2 2.95Å; D771-E774 PolarHBondContact O-N 3.34Å; D771-I775 WeakPolarHBondContact O-CG1 3.48Å; D771-I775 PolarHBondContact O-N 3.28Å
772	K	87.3	Confident	87.5	Confident	73 Å²	73	93.2 Å²	93.2	32%	0.317	47%	0.473	S	S	.	.	H	α-helix	trans	-66	-42.5	177.6	-80.8	168.7	174.3	152.7	0	111.6	L761 K765 M767 K768 S769 E770 I775 M776	L761-K772 HydrophobicContact CD2-CG 4.27Å; K765-K772 PolarHBondContact O-NZ 3.43Å; M767-K772 HydrophobicContact CB-CG 4.41Å; M767-K772 HydrophobicContact CE-CB 4.17Å; M767-K772 HydrophobicContact CE-CG 3.51Å; M767-K772 WeakPolarHBondContact O-CE 3.48Å; M767-K772 PolarHBondContact O-NZ 2.94Å; K768-K772 VanDerWaalsContact O-CB 3.32Å; K768-K772 WeakPolarHBondContact O-CB 3.36Å; K768-K772 WeakPolarHBondContact O-CD 3.26Å; K768-K772 WeakPolarHBondContact O-CG 3.44Å; K768-K772 PolarHBondContact O-N 2.82Å; S769-K772 PolarHBondContact O-N 3.09Å; E770-K772 PolarHBondContact O-N 3.12Å; E770-K772 VanDerWaalsContact O-N 3.13Å; K772-I775 PolarHBondContact O-N 3.33Å; K772-M776 WeakPolarHBondContact O-CB 3.31Å; K772-M776 VanDerWaalsContact O-CG 3.28Å; K772-M776 WeakPolarHBondContact O-CG 3.4Å; K772-M776 PolarHBondContact O-N 2.93Å
773	A	89.6	Confident	87.8	Confident	60 Å²	60	89.9 Å²	89.9	50%	0.496	46%	0.461	S	S	.	.	H	α-helix	trans	-65.5	-37.9	175.6	0	0	0	0	0	111.7	S769 E770 M776 K777	S769-A773 PolarHBondContact O-N 3.11Å; E770-A773 WeakPolarHBondContact O-CA 3.36Å; E770-A773 WeakPolarHBondContact O-CB 3.42Å; E770-A773 PolarHBondContact O-N 3Å; A773-M776 PolarHBondContact O-N 3.4Å; A773-K777 VanDerWaalsContact O-CB 3.27Å; A773-K777 WeakPolarHBondContact O-CB 3.46Å; A773-K777 PolarHBondContact O-N 3.11Å
774	E	91.9	Very high	88.2	Confident	134 Å²	134	87.5 Å²	87.5	63%	0.626	45%	0.451	S	S	*	.	H	α-helix	trans	-67.3	-42.8	175.4	-67	-166.2	165.5	0	0	112.9	E770 D771 M776 K777 T778	E770-E774 PolarHBondContact O-N 3.39Å; D771-E774 PolarHBondContact O-N 3.34Å; E774-M776 VanDerWaalsContact C-N 3.35Å; E774-K777 PolarHBondContact O-N 3.28Å; E774-T778 WeakPolarHBondContact O-CG2 3.4Å; E774-T778 PolarHBondContact O-N 2.86Å; E774-T778 PolarHBondContact O-OG1 2.84Å
775	I	90.4	Very high	89	Confident	23 Å²	23	86.8 Å²	86.8	12%	0.118	45%	0.447	C	S	.	.	H	α-helix	trans	-65.2	-38.6	174	-65.7	-170.2	0	0	0	111	L757 K760 L761 M767 D771 K772 T778 L779	L757-I775 HydrophobicContact CB-CG2 3.95Å; L757-I775 HydrophobicContact CD2-CD1 4.25Å; L757-I775 HydrophobicContact CD2-CG1 4.26Å; L757-I775 HydrophobicContact CD2-CG2 4.04Å; L757-I775 HydrophobicContact CG-CG2 4.45Å; K760-I775 HydrophobicContact CB-CD1 4.37Å; L761-I775 HydrophobicContact CD1-CG2 3.91Å; L761-I775 HydrophobicContact CD2-CB 4.02Å; L761-I775 HydrophobicContact CD2-CG2 3.83Å; L761-I775 HydrophobicContact CG-CB 4.41Å; L761-I775 HydrophobicContact CG-CG2 3.66Å; M767-I775 HydrophobicContact CE-CD1 3.8Å; M767-I775 HydrophobicContact CE-CG1 4.33Å; M767-I775 HydrophobicContact SD-CD1 4.05Å; D771-I775 WeakPolarHBondContact O-CG1 3.48Å; D771-I775 PolarHBondContact O-N 3.28Å; K772-I775 PolarHBondContact O-N 3.33Å; I775-T778 WeakPolarHBondContact CA-OG1 3.23Å; I775-T778 PolarHBondContact O-N 2.78Å; I775-T778 PolarHBondContact O-OG1 3.19Å; I775-T778 VanDerWaalsContact O-OG1 3.06Å; I775-L779 HydrophobicContact CG2-CD1 3.99Å; I775-L779 HydrophobicContact CG2-CG 4.31Å; I775-L779 VanDerWaalsContact O-CB 3.31Å; I775-L779 WeakPolarHBondContact O-CB 3.3Å; I775-L779 VanDerWaalsContact O-CG 3.25Å; I775-L779 WeakPolarHBondContact O-CG 2.88Å; I775-L779 PolarHBondContact O-N 2.29Å
776	M	89.8	Confident	89.7	Confident	102 Å²	102	78.9 Å²	78.9	50%	0.502	41%	0.413	S	S	.	.	H	α-helix	trans	-64.1	-43.7	173.7	-73.8	-62.6	-64.3	0	0	112.4	L761 K772 A773 E774 T778 L779 E780	L761-M776 HydrophobicContact CD1-CG 4.45Å; L761-M776 HydrophobicContact CD1-SD 3.77Å; K772-M776 WeakPolarHBondContact O-CB 3.31Å; K772-M776 VanDerWaalsContact O-CG 3.28Å; K772-M776 WeakPolarHBondContact O-CG 3.4Å; K772-M776 PolarHBondContact O-N 2.93Å; A773-M776 PolarHBondContact O-N 3.4Å; E774-M776 VanDerWaalsContact C-N 3.35Å; M776-T778 PolarHBondContact O-N 3.15Å; M776-L779 WeakPolarHBondContact O-CB 3.44Å; M776-L779 PolarHBondContact O-N 3.38Å; M776-L779 HydrophobicContact SD-CD1 4.39Å; M776-E780 PolarHBondContact O-N 2.86Å
777	K	94.5	Very high	90.3	Very high	152 Å²	152	75.5 Å²	75.5	66%	0.661	39%	0.392	S	S	*	.	H	α-helix	trans	-64.4	-38.7	177.9	-172.1	177.5	-178.2	-178.6	0	112.4	A773 E774 E780 V781	A773-K777 VanDerWaalsContact O-CB 3.27Å; A773-K777 WeakPolarHBondContact O-CB 3.46Å; A773-K777 PolarHBondContact O-N 3.11Å; E774-K777 PolarHBondContact O-N 3.28Å; K777-E780 PolarHBondContact O-N 3.14Å; K777-V781 WeakPolarHBondContact O-CG2 3.49Å; K777-V781 PolarHBondContact O-N 3.48Å; K777-V781 VanDerWaalsContact O-N 3.16Å
778	T	91.8	Very high	91.2	Very high	66 Å²	66	80.1 Å²	80.1	41%	0.405	41%	0.411	S	S	.	.	H	α-helix	trans	-73.1	-34.8	174.3	50.4	0	0	0	0	112.4	E774 I775 M776 V781 L782	E774-T778 WeakPolarHBondContact O-CG2 3.4Å; E774-T778 PolarHBondContact O-N 2.86Å; E774-T778 PolarHBondContact O-OG1 2.84Å; I775-T778 WeakPolarHBondContact CA-OG1 3.23Å; I775-T778 PolarHBondContact O-N 2.78Å; I775-T778 PolarHBondContact O-OG1 3.19Å; I775-T778 VanDerWaalsContact O-OG1 3.06Å; M776-T778 PolarHBondContact O-N 3.15Å; T778-V781 PolarHBondContact O-N 2.93Å; T778-L782 WeakPolarHBondContact O-CB 3.42Å; T778-L782 WeakPolarHBondContact O-CG 3.44Å; T778-L782 PolarHBondContact O-N 2.33Å
779	L	93.9	Very high	91.2	Very high	15 Å²	15	75.3 Å²	75.3	8%	0.079	39%	0.391	C	S	.	.	H	α-helix	trans	-62.3	-39.6	169.9	-79.5	171.9	0	0	0	112.4	Q754 L757 I758 L761 I775 M776 T783	Q754-L779 HydrophobicContact CB-CD2 4.36Å; Q754-L779 HydrophobicContact CG-CD2 3.62Å; L757-L779 HydrophobicContact CB-CD1 4.4Å; L757-L779 HydrophobicContact CB-CD2 3.68Å; L757-L779 HydrophobicContact CB-CG 3.96Å; L757-L779 HydrophobicContact CD1-CD2 4.3Å; L757-L779 HydrophobicContact CD1-CG 4.38Å; I758-L779 HydrophobicContact CD1-CD2 4.47Å; I758-L779 HydrophobicContact CG1-CD1 4.14Å; I758-L779 HydrophobicContact CG1-CD2 3.91Å; L761-L779 HydrophobicContact CD1-CD1 3.64Å; I775-L779 HydrophobicContact CG2-CD1 3.99Å; I775-L779 HydrophobicContact CG2-CG 4.31Å; I775-L779 VanDerWaalsContact O-CB 3.31Å; I775-L779 WeakPolarHBondContact O-CB 3.3Å; I775-L779 VanDerWaalsContact O-CG 3.25Å; I775-L779 WeakPolarHBondContact O-CG 2.88Å; I775-L779 PolarHBondContact O-N 2.29Å; M776-L779 WeakPolarHBondContact O-CB 3.44Å; M776-L779 PolarHBondContact O-N 3.38Å; M776-L779 HydrophobicContact SD-CD1 4.39Å; L779-T783 VanDerWaalsContact O-CB 3.31Å; L779-T783 WeakPolarHBondContact O-CB 3.17Å; L779-T783 PolarHBondContact O-N 2.94Å; L779-T783 PolarHBondContact O-OG1 2.94Å
780	E	94.3	Very high	91.5	Very high	101 Å²	101	76.8 Å²	76.8	47%	0.472	39%	0.386	S	S	.	.	H	α-helix	trans	-60.4	-49	171.9	-84.3	-168.7	-135.5	0	0	112.2	M776 K777 T783 K784	M776-E780 PolarHBondContact O-N 2.86Å; K777-E780 PolarHBondContact O-N 3.14Å; E780-T783 PolarHBondContact O-N 3.41Å; E780-K784 WeakPolarHBondContact O-CB 3.33Å; E780-K784 WeakPolarHBondContact O-CD 3.42Å; E780-K784 VanDerWaalsContact O-CG 3.26Å; E780-K784 WeakPolarHBondContact O-CG 3.16Å; E780-K784 PolarHBondContact O-N 2.86Å; E780-K784 IonicContact OE2-NZ 2.68Å; E780-K784 PolarHBondContact OE2-NZ 2.78Å
781	V	95	Very high	91.6	Very high	76 Å²	76	74.4 Å²	74.4	46%	0.461	38%	0.377	S	S	.	.	H	α-helix	trans	-62.6	-43.5	179.7	171.6	0	0	0	0	110.8	K777 T778 T783 K784 N785	K777-V781 WeakPolarHBondContact O-CG2 3.49Å; K777-V781 PolarHBondContact O-N 3.48Å; K777-V781 VanDerWaalsContact O-N 3.16Å; T778-V781 PolarHBondContact O-N 2.93Å; V781-T783 PolarHBondContact O-N 3.01Å; V781-K784 PolarHBondContact O-N 3.41Å; V781-N785 WeakPolarHBondContact O-CB 3.34Å; V781-N785 VanDerWaalsContact O-CG 3.28Å; V781-N785 PolarHBondContact O-N 3.13Å
782	L	93.1	Very high	91.6	Very high	24 Å²	24	75.7 Å²	75.7	13%	0.126	38%	0.381	C	S	.	.	H	α-helix	trans	-62.4	-41.1	173.4	-74.8	167.7	0	0	0	111.6	H750 L757 T778 K784 N785 I786	H750-L782 HydrophobicContact CB-CD2 4.42Å; H750-L782 VanDerWaalsContact ND1-CD2 3.32Å; H750-L782 WeakPolarHBondContact ND1-CD2 3.42Å; L757-L782 HydrophobicContact CD1-CD1 3.57Å; T778-L782 WeakPolarHBondContact O-CB 3.42Å; T778-L782 WeakPolarHBondContact O-CG 3.44Å; T778-L782 PolarHBondContact O-N 2.33Å; L782-K784 VanDerWaalsContact C-N 3.34Å; L782-K784 PolarHBondContact O-N 3.08Å; L782-N785 PolarHBondContact O-N 3.4Å; L782-I786 WeakPolarHBondContact O-CB 3.36Å; L782-I786 WeakPolarHBondContact O-CD1 3.23Å; L782-I786 WeakPolarHBondContact O-CG1 3.35Å; L782-I786 PolarHBondContact O-N 3.5Å
783	T	94.2	Very high	91.5	Very high	59 Å²	59	73.4 Å²	73.4	36%	0.362	37%	0.373	S	S	.	.	H	α-helix	trans	-63.7	-39.9	176.5	-55.3	0	0	0	0	111.7	Q754 L779 E780 V781 N785 T787	Q754-T783 PolarHBondContact NE2-OG1 3.35Å; L779-T783 VanDerWaalsContact O-CB 3.31Å; L779-T783 WeakPolarHBondContact O-CB 3.17Å; L779-T783 PolarHBondContact O-N 2.94Å; L779-T783 PolarHBondContact O-OG1 2.94Å; E780-T783 PolarHBondContact O-N 3.41Å; V781-T783 PolarHBondContact O-N 3.01Å; T783-N785 VanDerWaalsContact C-N 3.33Å; T783-N785 PolarHBondContact O-N 2.94Å; T783-T787 WeakPolarHBondContact O-CB 3.44Å; T783-T787 WeakPolarHBondContact O-CG2 3.48Å; T783-T787 PolarHBondContact O-N 2.85Å; T783-T787 PolarHBondContact O-OG1 3.33Å
784	K	94.9	Very high	91.1	Very high	109 Å²	109	77 Å²	77	47%	0.474	38%	0.378	S	S	.	.	H	α-helix	trans	-67.3	-29.7	174.8	-70.9	159.8	179.8	166.7	0	112.4	E780 V781 L782 T787 K788	E780-K784 WeakPolarHBondContact O-CB 3.33Å; E780-K784 WeakPolarHBondContact O-CD 3.42Å; E780-K784 VanDerWaalsContact O-CG 3.26Å; E780-K784 WeakPolarHBondContact O-CG 3.16Å; E780-K784 PolarHBondContact O-N 2.86Å; E780-K784 IonicContact OE2-NZ 2.68Å; E780-K784 PolarHBondContact OE2-NZ 2.78Å; V781-K784 PolarHBondContact O-N 3.41Å; L782-K784 VanDerWaalsContact C-N 3.34Å; L782-K784 PolarHBondContact O-N 3.08Å; K784-T787 WeakPolarHBondContact CA-OG1 3.36Å; K784-T787 PolarHBondContact O-OG1 3.32Å; K784-T787 VanDerWaalsContact O-OG1 3.11Å; K784-K788 WeakPolarHBondContact O-CD 3.37Å; K784-K788 VanDerWaalsContact O-CG 3.28Å; K784-K788 WeakPolarHBondContact O-CG 3.34Å; K784-K788 PolarHBondContact O-N 2.86Å
785	N	93.4	Very high	90.1	Very high	58 Å²	58	75 Å²	75	31%	0.31	38%	0.384	S	S	.	.	H	α-helix	trans	-84	-38.8	175.4	-69.2	-9	0	0	0	112.5	V781 L782 T783 T787 K788 L789	V781-N785 WeakPolarHBondContact O-CB 3.34Å; V781-N785 VanDerWaalsContact O-CG 3.28Å; V781-N785 PolarHBondContact O-N 3.13Å; L782-N785 PolarHBondContact O-N 3.4Å; T783-N785 VanDerWaalsContact C-N 3.33Å; T783-N785 PolarHBondContact O-N 2.94Å; N785-T787 VanDerWaalsContact C-N 3.34Å; N785-K788 PolarHBondContact O-N 2.86Å; N785-L789 WeakPolarHBondContact O-CB 3.38Å; N785-L789 WeakPolarHBondContact O-CG 3.44Å; N785-L789 PolarHBondContact O-N 3.32Å
786	I	94.4	Very high	88.5	Confident	15 Å²	15	75.4 Å²	75.4	8%	0.077	39%	0.391	C	S	.	.	H	α-helix	trans	-61.4	-42.9	174	-71.8	164	0	0	0	110.4	L747 H750 I751 Q754 L782 K790	L747-I786 HydrophobicContact CD1-CB 4.41Å; L747-I786 HydrophobicContact CD1-CG2 3.97Å; H750-I786 HydrophobicContact CB-CD1 4.18Å; H750-I786 HydrophobicContact CB-CG1 3.6Å; I751-I786 HydrophobicContact CG1-CD1 4.12Å; I751-I786 HydrophobicContact CG1-CG1 4.29Å; I751-I786 HydrophobicContact CG1-CG2 4.14Å; Q754-I786 HydrophobicContact CB-CD1 3.88Å; Q754-I786 HydrophobicContact CG-CD1 4.18Å; L782-I786 WeakPolarHBondContact O-CB 3.36Å; L782-I786 WeakPolarHBondContact O-CD1 3.23Å; L782-I786 WeakPolarHBondContact O-CG1 3.35Å; L782-I786 PolarHBondContact O-N 3.5Å; I786-K790 WeakPolarHBondContact O-CB 3.29Å; I786-K790 PolarHBondContact O-N 2.83Å
787	T	91.6	Very high	86.4	Confident	67 Å²	67	72.9 Å²	72.9	41%	0.411	38%	0.383	S	S	.	.	H	α-helix	trans	-62.6	-52.2	176.1	41	0	0	0	0	111.4	T783 K784 N785 L789 K790 D791	T783-T787 WeakPolarHBondContact O-CB 3.44Å; T783-T787 WeakPolarHBondContact O-CG2 3.48Å; T783-T787 PolarHBondContact O-N 2.85Å; T783-T787 PolarHBondContact O-OG1 3.33Å; K784-T787 WeakPolarHBondContact CA-OG1 3.36Å; K784-T787 PolarHBondContact O-OG1 3.32Å; K784-T787 VanDerWaalsContact O-OG1 3.11Å; N785-T787 VanDerWaalsContact C-N 3.34Å; T787-L789 PolarHBondContact O-N 3.48Å; T787-K790 PolarHBondContact O-N 2.86Å; T787-D791 PolarHBondContact O-N 2.85Å
788	K	92.9	Very high	83.8	Confident	136 Å²	136	70.5 Å²	70.5	59%	0.591	38%	0.384	S	S	*	.	H	α-helix	trans	-52.7	-53.4	174.1	-73.1	173.4	179.9	-176.9	0	112.9	K784 N785 K790 D791 E792	K784-K788 WeakPolarHBondContact O-CD 3.37Å; K784-K788 VanDerWaalsContact O-CG 3.28Å; K784-K788 WeakPolarHBondContact O-CG 3.34Å; K784-K788 PolarHBondContact O-N 2.86Å; N785-K788 PolarHBondContact O-N 2.86Å; K788-K790 VanDerWaalsContact C-N 3.34Å; K788-K790 PolarHBondContact O-N 2.87Å; K788-D791 PolarHBondContact O-N 3.38Å; K788-E792 PolarHBondContact O-N 3.14Å
789	L	88.9	Confident	81.4	Confident	27 Å²	27	70.3 Å²	70.3	14%	0.141	40%	0.395	C	S	.	.	H	α-helix	trans	-66.6	-33.6	-179.3	-73.6	168.9	0	0	0	112.7	I746 L747 H750 N785 T787 V793	I746-L789 HydrophobicContact CG2-CD1 3.87Å; L747-L789 HydrophobicContact CB-CB 4.45Å; L747-L789 HydrophobicContact CD1-CB 4Å; H750-L789 WeakPolarHBondContact CD2-CD1 3.32Å; N785-L789 WeakPolarHBondContact O-CB 3.38Å; N785-L789 WeakPolarHBondContact O-CG 3.44Å; N785-L789 PolarHBondContact O-N 3.32Å; T787-L789 PolarHBondContact O-N 3.48Å; L789-V793 VanDerWaalsContact O-CB 3.3Å; L789-V793 WeakPolarHBondContact O-CB 3.48Å; L789-V793 VanDerWaalsContact O-CG2 3.23Å; L789-V793 WeakPolarHBondContact O-CG2 3.49Å; L789-V793 PolarHBondContact O-N 3.01Å
790	K	88.4	Confident	78.7	Confident	128 Å²	128	81.3 Å²	81.3	56%	0.557	44%	0.435	S	S	*	.	H	α-helix	trans	-66.6	-41.3	173.8	179.8	179.4	-180	-179.1	0	111.1	L747 I786 T787 K788 V793 K794	L747-K790 HydrophobicContact CD1-CB 4.21Å; L747-K790 HydrophobicContact CD2-CB 4.29Å; I786-K790 WeakPolarHBondContact O-CB 3.29Å; I786-K790 PolarHBondContact O-N 2.83Å; T787-K790 PolarHBondContact O-N 2.86Å; K788-K790 VanDerWaalsContact C-N 3.34Å; K788-K790 PolarHBondContact O-N 2.87Å; K790-V793 PolarHBondContact O-N 2.72Å; K790-K794 WeakPolarHBondContact O-CB 3.37Å; K790-K794 PolarHBondContact O-N 2.86Å
791	D	87.8	Confident	75.7	Confident	81 Å²	81	81.6 Å²	81.6	43%	0.433	45%	0.447	S	S	.	.	H	α-helix	trans	-73.2	-33.9	176.3	-73.1	-45.1	0	0	0	112.1	T787 K788 K794 A795	T787-D791 PolarHBondContact O-N 2.85Å; K788-D791 PolarHBondContact O-N 3.38Å; D791-K794 PolarHBondContact O-N 3.07Å; D791-K794 IonicContact OD1-NZ 2.88Å; D791-K794 PolarHBondContact OD1-NZ 3.02Å; D791-A795 VanDerWaalsContact O-CB 3.25Å; D791-A795 WeakPolarHBondContact O-CB 3.47Å; D791-A795 PolarHBondContact O-N 2.88Å
792	E	85.2	Confident	72.5	Confident	83 Å²	83	84 Å²	84	39%	0.388	46%	0.457	S	S	.	.	H	α-helix	trans	-62.8	-45.9	167.8	-77.2	-176.4	-131.9	0	0	112.7	K743 K788 K794 A795 A796	K743-E792 IonicContact NZ-OE2 2.67Å; K743-E792 PolarHBondContact NZ-OE2 3.36Å; K788-E792 PolarHBondContact O-N 3.14Å; E792-K794 VanDerWaalsContact C-N 3.31Å; E792-K794 PolarHBondContact O-N 2.97Å; E792-A795 PolarHBondContact O-N 2.81Å; E792-A796 WeakPolarHBondContact O-CB 3.42Å; E792-A796 PolarHBondContact O-N 2.98Å
793	V	85.4	Confident	69.8	Low	25 Å²	25	88.5 Å²	88.5	15%	0.152	49%	0.487	C	S	.	.	H	α-helix	trans	-66.7	-34.2	177.4	167.2	0	0	0	0	111	K743 Q744 L747 L789 K790 S797	K743-V793 HydrophobicContact CB-CG2 3.82Å; Q744-V793 HydrophobicContact CG-CG1 3.94Å; Q744-V793 HydrophobicContact CG-CG2 4.42Å; L747-V793 HydrophobicContact CD2-CB 4.41Å; L747-V793 HydrophobicContact CD2-CG2 4.32Å; L789-V793 VanDerWaalsContact O-CB 3.3Å; L789-V793 WeakPolarHBondContact O-CB 3.48Å; L789-V793 VanDerWaalsContact O-CG2 3.23Å; L789-V793 WeakPolarHBondContact O-CG2 3.49Å; L789-V793 PolarHBondContact O-N 3.01Å; K790-V793 PolarHBondContact O-N 2.72Å; V793-S797 WeakPolarHBondContact O-CB 3.48Å; V793-S797 PolarHBondContact O-N 2.99Å
794	K	81.8	Confident	67	Low	137 Å²	137	88.2 Å²	88.2	60%	0.596	48%	0.481	S	S	*	.	H	α-helix	trans	-71.2	-41.4	175.1	179.3	179.5	164.3	-159.1	0	111.9	K790 D791 E792 S797	K790-K794 WeakPolarHBondContact O-CB 3.37Å; K790-K794 PolarHBondContact O-N 2.86Å; D791-K794 PolarHBondContact O-N 3.07Å; D791-K794 IonicContact OD1-NZ 2.88Å; D791-K794 PolarHBondContact OD1-NZ 3.02Å; E792-K794 VanDerWaalsContact C-N 3.31Å; E792-K794 PolarHBondContact O-N 2.97Å; K794-S797 WeakPolarHBondContact O-CB 3.23Å; K794-S797 PolarHBondContact O-N 2.96Å; K794-S797 PolarHBondContact O-OG 3.07Å
795	A	70.6	Confident	64.4	Low	90 Å²	90	88 Å²	88	74%	0.744	49%	0.493	S	S	*	.	H	α-helix	trans	-66.4	-36.3	171.9	0	0	0	0	0	112.1	D791 E792 S797	D791-A795 VanDerWaalsContact O-CB 3.25Å; D791-A795 WeakPolarHBondContact O-CB 3.47Å; D791-A795 PolarHBondContact O-N 2.88Å; E792-A795 PolarHBondContact O-N 2.81Å; A795-S797 VanDerWaalsContact C-N 3.29Å; A795-S797 PolarHBondContact O-N 3.24Å
796	A	57.8	Low	62.4	Low	33 Å²	33	93 Å²	93	27%	0.273	52%	0.518	S	S	.	.	S	Bend	trans	-76.8	-12.7	174.3	0	0	0	0	0	113.7	R740 E792	R740-A796 HydrophobicContact CG-CB 4.49Å; R740-A796 PolarHBondContact NE-O 3.04Å; R740-A796 PolarHBondContact NH2-O 2.85Å; E792-A796 WeakPolarHBondContact O-CB 3.42Å; E792-A796 PolarHBondContact O-N 2.98Å
797	S	44.1	Very low	60.8	Low	49 Å²	49	94 Å²	94	34%	0.343	52%	0.522	S	S	.	.	S	Bend	trans	-72.8	148.3	179.3	80	0	0	0	0	111.5	V793 K794 A795 G799	V793-S797 WeakPolarHBondContact O-CB 3.48Å; V793-S797 PolarHBondContact O-N 2.99Å; K794-S797 WeakPolarHBondContact O-CB 3.23Å; K794-S797 PolarHBondContact O-N 2.96Å; K794-S797 PolarHBondContact O-OG 3.07Å; A795-S797 VanDerWaalsContact C-N 3.29Å; A795-S797 PolarHBondContact O-N 3.24Å; S797-G799 PolarHBondContact O-N 3.04Å; S797-G799 PolarHBondContact OG-N 2.86Å
798	P	40.1	Very low	59.9	Low	102 Å²	102	95 Å²	95	66%	0.662	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.8	47	168.9	33.8	-35.5	0	0	0	111.3
799	G	42	Very low	59.1	Low	62 Å²	62	93.3 Å²	93.3	64%	0.639	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.2	-11.1	-167.2	0	0	0	0	0	115.9	S797	S797-G799 PolarHBondContact O-N 3.04Å; S797-G799 PolarHBondContact OG-N 2.86Å
800	R	36	Very low	58.7	Low	246 Å²	246	97 Å²	97	93%	0.928	55%	0.545	S	S	*	.	S	Bend	trans	-142.6	35	165.9	-153.3	-178.6	176.4	-103.1	-1.2	113.9
801	C	31.2	Very low	58.5	Low	107 Å²	107	95.5 Å²	95.5	72%	0.723	54%	0.539	S	S	*	.	S	Bend	trans	-155.8	103.1	158.8	-117.5	0	0	0	0	106.9	P803	C801-P803 WeakPolarHBondContact O-CD 3.39Å
802	L	28.1	Very low	58.2	Low	127 Å²	127	91.7 Å²	91.7	67%	0.665	52%	0.519	S	S	*	.			trans	-79.3	114.2	174.2	-82.2	169.5	0	0	0	108.9	K804	L802-K804 HydrophobicContact CB-CG 3.72Å; L802-K804 HydrophobicContact CD1-CG 4.08Å; L802-K804 PolarHBondContact O-N 3.19Å
803	P	37.7	Very low	58	Low	117 Å²	117	91.5 Å²	91.5	76%	0.76	52%	0.518	S	S	*	.			trans	-65.3	81.7	144.7	31.1	-32.3	0	0	0	106.4	C801 S805	C801-P803 WeakPolarHBondContact O-CD 3.39Å; P803-S805 PolarHBondContact O-N 2.88Å
804	K	34.8	Very low	58.2	Low	53 Å²	53	96 Å²	96	23%	0.23	54%	0.536	C	S	.	.			trans	-55.5	111.3	175.4	-74.3	-177.5	179.2	-175.6	0	106.3	L802 I806 K807 E815 E846	L802-K804 HydrophobicContact CB-CG 3.72Å; L802-K804 HydrophobicContact CD1-CG 4.08Å; L802-K804 PolarHBondContact O-N 3.19Å; K804-I806 PolarHBondContact O-N 3.25Å; K804-K807 HydrophobicContact CB-CG 4.38Å; K804-K807 HydrophobicContact CD-CD 4.04Å; K804-E815 IonicContact NZ-OE1 2.68Å; K804-E846 VanDerWaalsContact CD-OE1 3.32Å; K804-E846 WeakPolarHBondContact CD-OE1 3.43Å; K804-E846 IonicContact NZ-OE1 2.74Å; K804-E846 IonicContact NZ-OE2 2.61Å; K804-E846 PolarHBondContact NZ-OE2 2.88Å
805	S	39.6	Very low	58.5	Low	105 Å²	105	91.5 Å²	91.5	73%	0.734	52%	0.517	S	S	*	.			trans	-47.4	132.9	163.9	49.8	0	0	0	0	107.2	P803 K807	P803-S805 PolarHBondContact O-N 2.88Å; S805-K807 VanDerWaalsContact C-N 3.34Å; S805-K807 WeakPolarHBondContact O-CA 3.05Å; S805-K807 PolarHBondContact O-N 2.82Å
806	I	51.3	Low	59.4	Low	162 Å²	162	88.1 Å²	88.1	83%	0.831	49%	0.486	S	S	*	.			trans	-51.5	95	-157.4	-58.1	174.6	0	0	0	110.3	K804 T808	K804-I806 PolarHBondContact O-N 3.25Å; I806-T808 PolarHBondContact O-N 3.01Å
807	K	62.1	Low	60.9	Low	38 Å²	38	91 Å²	91	17%	0.165	50%	0.497	C	S	.	.			trans	-63.3	117.6	-172.3	-77.2	-163.9	176.8	-169.1	0	106.8	K804 S805 E815	K804-K807 HydrophobicContact CB-CG 4.38Å; K804-K807 HydrophobicContact CD-CD 4.04Å; S805-K807 VanDerWaalsContact C-N 3.34Å; S805-K807 WeakPolarHBondContact O-CA 3.05Å; S805-K807 PolarHBondContact O-N 2.82Å; K807-E815 VanDerWaalsContact CD-OE2 3.24Å; K807-E815 WeakPolarHBondContact CD-OE2 3.45Å; K807-E815 WeakPolarHBondContact CE-OE2 3.39Å; K807-E815 IonicContact NZ-OE1 3.96Å; K807-E815 PolarHBondContact NZ-OE1 2.64Å; K807-E815 IonicContact NZ-OE2 2.65Å; K807-E815 PolarHBondContact NZ-OE2 3.32Å
808	T	72.1	Confident	63.1	Low	87 Å²	87	92 Å²	92	53%	0.534	50%	0.498	S	S	.	.			trans	-56.3	149	-178.4	62.5	0	0	0	0	109.5	I806 T810 Q811 M812	I806-T808 PolarHBondContact O-N 3.01Å; T808-T810 PolarHBondContact O-N 3.17Å; T808-Q811 WeakPolarHBondContact O-CB 3.3Å; T808-Q811 PolarHBondContact O-N 3.43Å; T808-Q811 PolarHBondContact OG1-N 2.88Å; T808-M812 PolarHBondContact O-N 3.04Å
809	K	75.6	Confident	65.4	Low	101 Å²	101	88.5 Å²	88.5	44%	0.439	48%	0.475	S	S	.	.	H	α-helix	trans	-49.1	-39	-177.4	176.7	149.3	-175.3	160.1	0	112.2	Q813 G851 I852	K809-Q813 WeakPolarHBondContact O-CG 3.38Å; K809-Q813 PolarHBondContact O-N 3.27Å; K809-G851 PolarHBondContact NZ-O 3.44Å; K809-I852 HydrophobicContact CB-CD1 4.26Å; K809-I852 HydrophobicContact CB-CG1 4.27Å; K809-I852 HydrophobicContact CD-CG1 3.94Å; K809-I852 WeakPolarHBondContact CE-O 3.35Å; K809-I852 HydrophobicContact CG-CB 4.45Å; K809-I852 HydrophobicContact CG-CD1 4.35Å; K809-I852 HydrophobicContact CG-CG1 3.87Å; K809-I852 HydrophobicContact CG-CG2 4.13Å
810	T	81.5	Confident	67.8	Low	105 Å²	105	88.3 Å²	88.3	64%	0.644	46%	0.457	S	S	*	.	H	α-helix	trans	-64.2	-42.7	175.2	-37.8	0	0	0	0	113.8	T808 Q813 K814	T808-T810 PolarHBondContact O-N 3.17Å; T810-Q813 PolarHBondContact O-N 3.37Å; T810-K814 PolarHBondContact O-N 2.95Å
811	Q	84	Confident	70.5	Confident	95 Å²	95	82.2 Å²	82.2	44%	0.444	44%	0.442	S	S	.	.	H	α-helix	trans	-65.8	-40.7	-177.1	-173.2	178.6	15.4	0	0	111.8	T808 K814 E815	T808-Q811 WeakPolarHBondContact O-CB 3.3Å; T808-Q811 PolarHBondContact O-N 3.43Å; T808-Q811 PolarHBondContact OG1-N 2.88Å; Q811-K814 WeakPolarHBondContact O-CB 3.44Å; Q811-K814 PolarHBondContact O-N 2.79Å; Q811-E815 WeakPolarHBondContact O-CB 3.15Å; Q811-E815 PolarHBondContact O-N 2.62Å
812	M	81	Confident	73.2	Confident	1 Å²	1	80.9 Å²	80.9	1%	0.005	43%	0.428	C	S	.	.	H	α-helix	trans	-69.7	-39	175.2	179.9	-170.4	-79.1	0	0	112.3	T808 K814 E815 L816 E846 A847 R850 I852	T808-M812 PolarHBondContact O-N 3.04Å; M812-K814 PolarHBondContact O-N 2.98Å; M812-E815 PolarHBondContact O-N 3.38Å; M812-L816 PolarHBondContact O-N 3.1Å; M812-E846 HydrophobicContact CE-CB 4.28Å; M812-E846 HydrophobicContact CE-CG 3.72Å; M812-A847 HydrophobicContact CG-CB 4.25Å; M812-A847 WeakPolarHBondContact SD-CA 3.32Å; M812-A847 HydrophobicContact SD-CB 3.52Å; M812-A847 VanDerWaalsContact SD-CB 3.52Å; M812-R850 HydrophobicContact CE-CB 4.39Å; M812-R850 HydrophobicContact CE-CG 4.24Å; M812-I852 HydrophobicContact CB-CD1 4.21Å; M812-I852 HydrophobicContact CB-CG2 4.43Å; M812-I852 HydrophobicContact CE-CD1 3.93Å; M812-I852 HydrophobicContact CG-CD1 4.46Å; M812-I852 HydrophobicContact CG-CG2 4.3Å; M812-I852 HydrophobicContact SD-CB 3.81Å; M812-I852 HydrophobicContact SD-CD1 3.39Å; M812-I852 WeakPolarHBondContact SD-CD1 3.21Å; M812-I852 HydrophobicContact SD-CG1 4.12Å; M812-I852 HydrophobicContact SD-CG2 3.76Å
813	Q	80.8	Confident	76.1	Confident	79 Å²	79	75.9 Å²	75.9	37%	0.369	40%	0.402	S	S	.	.	H	α-helix	trans	-62	-35.1	173.8	-73.6	175.6	-18.8	0	0	111.4	K809 T810 L817 I852	K809-Q813 WeakPolarHBondContact O-CG 3.38Å; K809-Q813 PolarHBondContact O-N 3.27Å; T810-Q813 PolarHBondContact O-N 3.37Å; Q813-L817 VanDerWaalsContact O-CG 3.3Å; Q813-L817 WeakPolarHBondContact O-CG 3.47Å; Q813-L817 PolarHBondContact O-N 3.07Å; Q813-L817 VanDerWaalsContact O-N 3.14Å; Q813-I852 HydrophobicContact CG-CG2 3.54Å; Q813-I852 PolarHBondContact NE2-O 2.82Å
814	K	89.3	Confident	78.4	Confident	120 Å²	120	75.9 Å²	75.9	52%	0.522	39%	0.388	S	S	.	.	H	α-helix	trans	-66.4	-45.8	170.8	-163.7	-164.4	-177	-58	0	112.1	T810 Q811 M812 L816 L817 D818	T810-K814 PolarHBondContact O-N 2.95Å; Q811-K814 WeakPolarHBondContact O-CB 3.44Å; Q811-K814 PolarHBondContact O-N 2.79Å; M812-K814 PolarHBondContact O-N 2.98Å; K814-L816 VanDerWaalsContact C-N 3.28Å; K814-L816 PolarHBondContact O-N 3.25Å; K814-L817 PolarHBondContact O-N 3.29Å; K814-L817 VanDerWaalsContact O-N 3.14Å; K814-D818 IonicContact NZ-OD1 3.97Å; K814-D818 PolarHBondContact NZ-OD1 3.42Å; K814-D818 IonicContact NZ-OD2 3.51Å; K814-D818 PolarHBondContact NZ-OD2 3.05Å; K814-D818 WeakPolarHBondContact O-CB 3.46Å; K814-D818 PolarHBondContact O-N 2.91Å
815	E	88.7	Confident	81.1	Confident	42 Å²	42	80.3 Å²	80.3	20%	0.196	41%	0.407	C	S	.	.	H	α-helix	trans	-59.9	-36.2	179.7	-165.9	170.9	175.8	0	0	112.3	K804 K807 Q811 M812 T819 L843	K804-E815 IonicContact NZ-OE1 2.68Å; K807-E815 VanDerWaalsContact CD-OE2 3.24Å; K807-E815 WeakPolarHBondContact CD-OE2 3.45Å; K807-E815 WeakPolarHBondContact CE-OE2 3.39Å; K807-E815 IonicContact NZ-OE1 3.96Å; K807-E815 PolarHBondContact NZ-OE1 2.64Å; K807-E815 IonicContact NZ-OE2 2.65Å; K807-E815 PolarHBondContact NZ-OE2 3.32Å; Q811-E815 WeakPolarHBondContact O-CB 3.15Å; Q811-E815 PolarHBondContact O-N 2.62Å; M812-E815 PolarHBondContact O-N 3.38Å; E815-T819 WeakPolarHBondContact O-CG2 3.15Å; E815-T819 PolarHBondContact O-N 2.84Å; E815-T819 PolarHBondContact O-OG1 3.44Å; E815-L843 HydrophobicContact CG-CD1 4.05Å; E815-L843 HydrophobicContact CG-CD2 3.8Å
816	L	90.5	Very high	83.4	Confident	20 Å²	20	78.7 Å²	78.7	11%	0.105	39%	0.387	C	S	.	.	H	α-helix	trans	-70.6	-43.8	172.7	-170.6	151.2	0	0	0	112.2	M812 K814 T819 E820 Y840 Q844 A847 L853	M812-L816 PolarHBondContact O-N 3.1Å; K814-L816 VanDerWaalsContact C-N 3.28Å; K814-L816 PolarHBondContact O-N 3.25Å; L816-T819 PolarHBondContact O-N 3.3Å; L816-T819 PolarHBondContact O-OG1 2.97Å; L816-T819 VanDerWaalsContact O-OG1 3.12Å; L816-E820 WeakPolarHBondContact O-CB 3.26Å; L816-E820 PolarHBondContact O-N 3.33Å; L816-Y840 HydrophobicContact CD2-CE2 3.78Å; L816-Y840 HydrophobicContact CG-CE2 3.87Å; L816-Q844 HydrophobicContact CD1-CB 4.49Å; L816-A847 HydrophobicContact CD1-CB 4.29Å; L816-L853 HydrophobicContact CD1-CD2 3.87Å
817	L	88.6	Confident	85	Confident	94 Å²	94	75 Å²	75	49%	0.492	37%	0.367	S	S	.	.	H	α-helix	trans	-68.3	-40.5	177.6	-72.7	168.2	0	0	0	113	Q813 K814 T819 E820 L821	Q813-L817 VanDerWaalsContact O-CG 3.3Å; Q813-L817 WeakPolarHBondContact O-CG 3.47Å; Q813-L817 PolarHBondContact O-N 3.07Å; Q813-L817 VanDerWaalsContact O-N 3.14Å; K814-L817 PolarHBondContact O-N 3.29Å; K814-L817 VanDerWaalsContact O-N 3.14Å; L817-T819 VanDerWaalsContact C-N 3.31Å; L817-T819 PolarHBondContact O-N 2.95Å; L817-E820 PolarHBondContact O-N 3.36Å; L817-L821 WeakPolarHBondContact O-CB 3.32Å; L817-L821 VanDerWaalsContact O-CG 3.27Å; L817-L821 WeakPolarHBondContact O-CG 3.47Å; L817-L821 PolarHBondContact O-N 2.83Å
818	D	89.4	Confident	85.7	Confident	69 Å²	69	81.1 Å²	81.1	37%	0.369	40%	0.396	S	S	.	.	H	α-helix	trans	-61.5	-41.7	176.5	-68.2	-20	0	0	0	110.2	K814 L821 D822	K814-D818 IonicContact NZ-OD1 3.97Å; K814-D818 PolarHBondContact NZ-OD1 3.42Å; K814-D818 IonicContact NZ-OD2 3.51Å; K814-D818 PolarHBondContact NZ-OD2 3.05Å; K814-D818 WeakPolarHBondContact O-CB 3.46Å; K814-D818 PolarHBondContact O-N 2.91Å; D818-L821 PolarHBondContact O-N 3.46Å; D818-D822 PolarHBondContact O-N 2.96Å
819	T	89	Confident	86.2	Confident	28 Å²	28	80 Å²	80	17%	0.172	40%	0.396	C	S	.	.	H	α-helix	trans	-76.1	-29.4	177	51.8	0	0	0	0	114	E815 L816 L817 L823 L843	E815-T819 WeakPolarHBondContact O-CG2 3.15Å; E815-T819 PolarHBondContact O-N 2.84Å; E815-T819 PolarHBondContact O-OG1 3.44Å; L816-T819 PolarHBondContact O-N 3.3Å; L816-T819 PolarHBondContact O-OG1 2.97Å; L816-T819 VanDerWaalsContact O-OG1 3.12Å; L817-T819 VanDerWaalsContact C-N 3.31Å; L817-T819 PolarHBondContact O-N 2.95Å; T819-L823 VanDerWaalsContact O-CB 3.23Å; T819-L823 WeakPolarHBondContact O-CB 3.21Å; T819-L823 PolarHBondContact O-N 2.96Å; T819-L843 HydrophobicContact CG2-CD1 3.69Å; T819-L843 WeakPolarHBondContact OG1-CD1 3.47Å
820	E	93.7	Very high	86.1	Confident	59 Å²	59	78.6 Å²	78.6	28%	0.276	41%	0.409	S	S	.	.	H	α-helix	trans	-62.7	-44.6	168.7	-167.3	179.2	173.7	0	0	110.9	L816 L817 L823 Y824 Y840	L816-E820 WeakPolarHBondContact O-CB 3.26Å; L816-E820 PolarHBondContact O-N 3.33Å; L817-E820 PolarHBondContact O-N 3.36Å; E820-L823 WeakPolarHBondContact O-CB 3.23Å; E820-L823 PolarHBondContact O-N 2.9Å; E820-Y824 HydrophobicContact CG-CD2 4.11Å; E820-Y824 HydrophobicContact CG-CE2 3.98Å; E820-Y824 VanDerWaalsContact O-CD2 3.31Å; E820-Y824 WeakPolarHBondContact O-CD2 3.42Å; E820-Y824 PolarHBondContact O-N 2.83Å; E820-Y840 HydrophobicContact CB-CD2 4.35Å; E820-Y840 HydrophobicContact CB-CE2 3.81Å; E820-Y840 HydrophobicContact CG-CE2 4.2Å
821	L	91.2	Very high	86	Confident	117 Å²	117	78.4 Å²	78.4	61%	0.613	40%	0.401	S	S	*	.	H	α-helix	trans	-65.2	-43.7	178.2	-71.5	170	0	0	0	112.4	L817 D818 L823 Y824 K825	L817-L821 WeakPolarHBondContact O-CB 3.32Å; L817-L821 VanDerWaalsContact O-CG 3.27Å; L817-L821 WeakPolarHBondContact O-CG 3.47Å; L817-L821 PolarHBondContact O-N 2.83Å; D818-L821 PolarHBondContact O-N 3.46Å; L821-L823 VanDerWaalsContact C-N 3.32Å; L821-L823 PolarHBondContact O-N 2.93Å; L821-Y824 PolarHBondContact O-N 2.83Å; L821-K825 VanDerWaalsContact O-CB 3.3Å; L821-K825 WeakPolarHBondContact O-CB 3.35Å; L821-K825 PolarHBondContact O-N 3.38Å
822	D	87.7	Confident	85.7	Confident	80 Å²	80	79 Å²	79	43%	0.428	40%	0.404	S	S	.	.	H	α-helix	trans	-65.2	-34.8	174	-96	-6.9	0	0	0	112.1	D818 K825 K826 L836	D818-D822 PolarHBondContact O-N 2.96Å; D822-K825 PolarHBondContact O-N 3.49Å; D822-K826 WeakPolarHBondContact O-CB 3.48Å; D822-K826 PolarHBondContact O-N 3.28Å; D822-L836 HydrophobicContact CB-CD1 4.17Å; D822-L836 WeakPolarHBondContact O-CD1 3.34Å
823	L	89.4	Confident	86	Confident	22 Å²	22	80 Å²	80	12%	0.115	41%	0.41	C	S	.	.	H	α-helix	trans	-64	-45.1	174.6	179.4	149.4	0	0	0	111.5	T819 E820 L821 M827 V833 L836 R837	T819-L823 VanDerWaalsContact O-CB 3.23Å; T819-L823 WeakPolarHBondContact O-CB 3.21Å; T819-L823 PolarHBondContact O-N 2.96Å; E820-L823 WeakPolarHBondContact O-CB 3.23Å; E820-L823 PolarHBondContact O-N 2.9Å; L821-L823 VanDerWaalsContact C-N 3.32Å; L821-L823 PolarHBondContact O-N 2.93Å; L823-M827 WeakPolarHBondContact O-CB 3.31Å; L823-M827 PolarHBondContact O-N 2.85Å; L823-V833 HydrophobicContact CD1-CG1 4.4Å; L823-V833 HydrophobicContact CG-CG1 3.84Å; L823-L836 HydrophobicContact CB-CB 4.39Å; L823-R837 HydrophobicContact CD1-CB 4.48Å; L823-R837 HydrophobicContact CD1-CG 3.74Å
824	Y	86.4	Confident	86.1	Confident	117 Å²	117	80.3 Å²	80.3	46%	0.459	42%	0.418	S	S	.	.	H	α-helix	trans	-62.6	-42.4	172.3	-86.5	-72.4	0	0	0	112.1	E820 L821 M827 Q828	E820-Y824 HydrophobicContact CG-CD2 4.11Å; E820-Y824 HydrophobicContact CG-CE2 3.98Å; E820-Y824 VanDerWaalsContact O-CD2 3.31Å; E820-Y824 WeakPolarHBondContact O-CD2 3.42Å; E820-Y824 PolarHBondContact O-N 2.83Å; L821-Y824 PolarHBondContact O-N 2.83Å; Y824-M827 HydrophobicContact CD1-CE 3.78Å; Y824-M827 HydrophobicContact CE1-CE 3.97Å; Y824-M827 PolarHBondContact O-N 3.4Å; Y824-Q828 WeakPolarHBondContact O-CG 3.3Å; Y824-Q828 PolarHBondContact O-N 2.96Å
825	K	91	Very high	85.8	Confident	145 Å²	145	79.5 Å²	79.5	63%	0.63	42%	0.416	S	S	*	.	H	α-helix	trans	-64.7	-46.4	-178.8	-172.6	-179.4	176.2	-170.5	0	112.3	L821 D822 Q828 A829	L821-K825 VanDerWaalsContact O-CB 3.3Å; L821-K825 WeakPolarHBondContact O-CB 3.35Å; L821-K825 PolarHBondContact O-N 3.38Å; D822-K825 PolarHBondContact O-N 3.49Å; K825-Q828 PolarHBondContact O-N 3.31Å; K825-A829 WeakPolarHBondContact O-CB 3.2Å; K825-A829 PolarHBondContact O-N 2.89Å
826	K	87.6	Confident	85.5	Confident	72 Å²	72	78.5 Å²	78.5	31%	0.313	41%	0.412	S	S	.	.	H	α-helix	trans	-66.5	-39.1	175	-74.1	-147.3	178.9	-141.9	0	112.7	D822 Q828 A829 G830 E831 L836	D822-K826 WeakPolarHBondContact O-CB 3.48Å; D822-K826 PolarHBondContact O-N 3.28Å; K826-Q828 VanDerWaalsContact C-N 3.29Å; K826-Q828 PolarHBondContact O-N 3.33Å; K826-A829 CarbonylContact O-C 3.56Å; K826-A829 PolarHBondContact O-N 3.48Å; K826-A829 VanDerWaalsContact O-N 3.13Å; K826-G830 PolarHBondContact O-N 3.47Å; K826-E831 HydrophobicContact CB-CB 4.13Å; K826-E831 HydrophobicContact CD-CB 4.02Å; K826-E831 WeakPolarHBondContact CD-OE2 3.3Å; K826-E831 WeakPolarHBondContact CE-OE2 3.46Å; K826-E831 HydrophobicContact CG-CB 4.3Å; K826-E831 IonicContact NZ-OE2 2.63Å; K826-E831 PolarHBondContact NZ-OE2 3.36Å; K826-E831 PolarHBondContact O-N 3.37Å; K826-E831 VanDerWaalsContact O-N 3.07Å; K826-L836 HydrophobicContact CB-CD1 3.93Å; K826-L836 HydrophobicContact CD-CD1 3.56Å; K826-L836 HydrophobicContact CD-CG 4.26Å; K826-L836 HydrophobicContact CG-CD1 3.65Å
827	M	84.6	Confident	85.1	Confident	83 Å²	83	84.1 Å²	84.1	41%	0.409	43%	0.431	S	S	.	.	H	α-helix	trans	-64.2	-32.7	175.8	-172.6	171.6	66.8	0	0	112.5	L823 Y824 V833	L823-M827 WeakPolarHBondContact O-CB 3.31Å; L823-M827 PolarHBondContact O-N 2.85Å; Y824-M827 HydrophobicContact CD1-CE 3.78Å; Y824-M827 HydrophobicContact CE1-CE 3.97Å; Y824-M827 PolarHBondContact O-N 3.4Å; M827-V833 HydrophobicContact CB-CG1 4.46Å; M827-V833 HydrophobicContact CB-CG2 4.16Å
828	Q	78.1	Confident	85	Confident	168 Å²	168	87.7 Å²	87.7	79%	0.785	44%	0.438	S	S	*	.	H	α-helix	trans	-77.3	-29.6	170.8	-73	-177.5	2.2	0	0	113.3	Y824 K825 K826 G830	Y824-Q828 WeakPolarHBondContact O-CG 3.3Å; Y824-Q828 PolarHBondContact O-N 2.96Å; K825-Q828 PolarHBondContact O-N 3.31Å; K826-Q828 VanDerWaalsContact C-N 3.29Å; K826-Q828 PolarHBondContact O-N 3.33Å; Q828-G830 VanDerWaalsContact C-N 3.27Å; Q828-G830 PolarHBondContact O-N 3.42Å
829	A	82.6	Confident	84.6	Confident	64 Å²	64	88.6 Å²	88.6	53%	0.529	44%	0.439	S	S	.	.	H	α-helix	trans	-76.8	-8.6	174.5	0	0	0	0	0	114	K825 K826 E831	K825-A829 WeakPolarHBondContact O-CB 3.2Å; K825-A829 PolarHBondContact O-N 2.89Å; K826-A829 CarbonylContact O-C 3.56Å; K826-A829 PolarHBondContact O-N 3.48Å; K826-A829 VanDerWaalsContact O-N 3.13Å; A829-E831 HydrophobicContact CB-CG 4.12Å; A829-E831 PolarHBondContact O-N 3.03Å
830	G	73.6	Confident	84.6	Confident	70 Å²	70	89.7 Å²	89.7	72%	0.722	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	72	13.4	-174.8	0	0	0	0	0	114.3	K826 Q828	K826-G830 PolarHBondContact O-N 3.47Å; Q828-G830 VanDerWaalsContact C-N 3.27Å; Q828-G830 PolarHBondContact O-N 3.42Å
831	E	79.8	Confident	84.2	Confident	101 Å²	101	90.1 Å²	90.1	47%	0.472	45%	0.447	S	S	.	.			trans	-75.3	166.9	178.5	-72.3	-174.8	-143.1	0	0	112.4	K826 A829 V833	K826-E831 HydrophobicContact CB-CB 4.13Å; K826-E831 HydrophobicContact CD-CB 4.02Å; K826-E831 WeakPolarHBondContact CD-OE2 3.3Å; K826-E831 WeakPolarHBondContact CE-OE2 3.46Å; K826-E831 HydrophobicContact CG-CB 4.3Å; K826-E831 IonicContact NZ-OE2 2.63Å; K826-E831 PolarHBondContact NZ-OE2 3.36Å; K826-E831 PolarHBondContact O-N 3.37Å; K826-E831 VanDerWaalsContact O-N 3.07Å; A829-E831 HydrophobicContact CB-CG 4.12Å; A829-E831 PolarHBondContact O-N 3.03Å; E831-V833 WeakPolarHBondContact O-CG2 3.48Å; E831-V833 PolarHBondContact O-N 2.91Å
832	E	75.9	Confident	83.9	Confident	109 Å²	109	90.8 Å²	90.8	51%	0.509	45%	0.447	S	S	.	.			trans	-57.8	121.6	171.2	-155.7	-86.7	-168.3	0	0	110.3	T834 E835	E832-T834 WeakPolarHBondContact OE1-CB 3.44Å; E832-T834 PolarHBondContact OE1-OG1 3.04Å; E832-T834 PolarHBondContact OE2-N 3.12Å; E832-T834 PolarHBondContact OE2-OG1 3.47Å; E832-E835 PolarHBondContact OE2-N 3.47Å
833	V	88.6	Confident	83.8	Confident	21 Å²	21	87.9 Å²	87.9	13%	0.127	43%	0.431	C	S	.	.			trans	-110.7	-3.2	-178.1	-150.8	0	0	0	0	112	L823 M827 E831 L836 R837	L823-V833 HydrophobicContact CD1-CG1 4.4Å; L823-V833 HydrophobicContact CG-CG1 3.84Å; M827-V833 HydrophobicContact CB-CG1 4.46Å; M827-V833 HydrophobicContact CB-CG2 4.16Å; E831-V833 WeakPolarHBondContact O-CG2 3.48Å; E831-V833 PolarHBondContact O-N 2.91Å; V833-L836 HydrophobicContact CG1-CB 4.36Å; V833-L836 PolarHBondContact O-N 3.23Å; V833-R837 HydrophobicContact CG1-CG 4.31Å; V833-R837 WeakPolarHBondContact O-CB 3.37Å; V833-R837 VanDerWaalsContact O-CG 3.23Å; V833-R837 WeakPolarHBondContact O-CG 3.42Å; V833-R837 PolarHBondContact O-N 2.95Å
834	T	81.9	Confident	83.3	Confident	86 Å²	86	90.8 Å²	90.8	53%	0.528	44%	0.444	S	S	.	.	H	α-helix	trans	-69.1	-38.6	-176.1	-1.7	0	0	0	0	111.5	E832 R838	E832-T834 WeakPolarHBondContact OE1-CB 3.44Å; E832-T834 PolarHBondContact OE1-OG1 3.04Å; E832-T834 PolarHBondContact OE2-N 3.12Å; E832-T834 PolarHBondContact OE2-OG1 3.47Å; T834-R838 PolarHBondContact O-N 2.81Å; T834-R838 VanDerWaalsContact O-N 3.12Å
835	E	82.8	Confident	83.2	Confident	103 Å²	103	88.6 Å²	88.6	48%	0.481	44%	0.44	S	S	.	.	H	α-helix	trans	-64.4	-43.1	170.5	-82.8	-153.1	-172.3	0	0	112.9	E832 R838 K839	E832-E835 PolarHBondContact OE2-N 3.47Å; E835-R838 PolarHBondContact O-N 2.65Å; E835-K839 WeakPolarHBondContact O-CD 3.41Å; E835-K839 VanDerWaalsContact O-CG 3.32Å; E835-K839 WeakPolarHBondContact O-CG 3.19Å; E835-K839 PolarHBondContact O-N 3.45Å; E835-K839 IonicContact OE2-NZ 3.9Å; E835-K839 PolarHBondContact OE2-NZ 2.88Å
836	L	82.7	Confident	82.6	Confident	21 Å²	21	83.4 Å²	83.4	11%	0.11	42%	0.418	C	S	.	.	H	α-helix	trans	-68.9	-38	-179.6	-72.2	-169.8	0	0	0	112	D822 L823 K826 V833 K839 Y840	D822-L836 HydrophobicContact CB-CD1 4.17Å; D822-L836 WeakPolarHBondContact O-CD1 3.34Å; L823-L836 HydrophobicContact CB-CB 4.39Å; K826-L836 HydrophobicContact CB-CD1 3.93Å; K826-L836 HydrophobicContact CD-CD1 3.56Å; K826-L836 HydrophobicContact CD-CG 4.26Å; K826-L836 HydrophobicContact CG-CD1 3.65Å; V833-L836 HydrophobicContact CG1-CB 4.36Å; V833-L836 PolarHBondContact O-N 3.23Å; L836-K839 HydrophobicContact CD2-CD 4.49Å; L836-K839 PolarHBondContact O-N 3.02Å; L836-Y840 VanDerWaalsContact O-CB 3.29Å; L836-Y840 WeakPolarHBondContact O-CB 3.4Å; L836-Y840 PolarHBondContact O-N 2.67Å
837	R	82.3	Confident	82.2	Confident	138 Å²	138	80 Å²	80	52%	0.521	40%	0.404	S	S	.	.	H	α-helix	trans	-58.7	-47.6	172.6	-76.8	169.2	-178.4	-144	-1.3	111	L823 V833 K839 Y840 T841	L823-R837 HydrophobicContact CD1-CB 4.48Å; L823-R837 HydrophobicContact CD1-CG 3.74Å; V833-R837 HydrophobicContact CG1-CG 4.31Å; V833-R837 WeakPolarHBondContact O-CB 3.37Å; V833-R837 VanDerWaalsContact O-CG 3.23Å; V833-R837 WeakPolarHBondContact O-CG 3.42Å; V833-R837 PolarHBondContact O-N 2.95Å; R837-K839 PolarHBondContact O-N 3.09Å; R837-Y840 PolarHBondContact O-N 3.27Å; R837-T841 PolarHBondContact O-N 3.12Å; R837-T841 PolarHBondContact O-OG1 3.3Å; R837-T841 VanDerWaalsContact O-OG1 3.08Å
838	R	85.8	Confident	81.9	Confident	168 Å²	168	77.1 Å²	77.1	63%	0.634	39%	0.393	S	S	*	.	H	α-helix	trans	-59.4	-47.3	177.2	-168.3	-177.9	-66.9	147.9	-1.1	112	T834 E835 T841 E842	T834-R838 PolarHBondContact O-N 2.81Å; T834-R838 VanDerWaalsContact O-N 3.12Å; E835-R838 PolarHBondContact O-N 2.65Å; R838-T841 WeakPolarHBondContact CA-OG1 3.39Å; R838-T841 PolarHBondContact O-N 2.87Å; R838-T841 PolarHBondContact O-OG1 2.94Å; R838-E842 WeakPolarHBondContact O-CB 3.46Å; R838-E842 PolarHBondContact O-N 2.95Å
839	K	81.4	Confident	81.9	Confident	88 Å²	88	74.3 Å²	74.3	38%	0.383	38%	0.378	S	S	.	.	H	α-helix	trans	-64.1	-39.9	177.8	-70.7	163.8	-172.3	165.6	0	112.4	E835 L836 R837 E842 L843	E835-K839 WeakPolarHBondContact O-CD 3.41Å; E835-K839 VanDerWaalsContact O-CG 3.32Å; E835-K839 WeakPolarHBondContact O-CG 3.19Å; E835-K839 PolarHBondContact O-N 3.45Å; E835-K839 IonicContact OE2-NZ 3.9Å; E835-K839 PolarHBondContact OE2-NZ 2.88Å; L836-K839 HydrophobicContact CD2-CD 4.49Å; L836-K839 PolarHBondContact O-N 3.02Å; R837-K839 PolarHBondContact O-N 3.09Å; K839-E842 PolarHBondContact O-N 3.41Å; K839-L843 WeakPolarHBondContact O-CG 3.35Å; K839-L843 PolarHBondContact O-N 2.64Å
840	Y	88.4	Confident	81.4	Confident	51 Å²	51	76.6 Å²	76.6	20%	0.2	37%	0.373	C	S	.	.	H	α-helix	trans	-64.6	-44.5	175.4	-178.8	-102.9	0	0	0	111.7	L816 E820 L836 R837 E842 L843 Q844	L816-Y840 HydrophobicContact CD2-CE2 3.78Å; L816-Y840 HydrophobicContact CG-CE2 3.87Å; E820-Y840 HydrophobicContact CB-CD2 4.35Å; E820-Y840 HydrophobicContact CB-CE2 3.81Å; E820-Y840 HydrophobicContact CG-CE2 4.2Å; L836-Y840 VanDerWaalsContact O-CB 3.29Å; L836-Y840 WeakPolarHBondContact O-CB 3.4Å; L836-Y840 PolarHBondContact O-N 2.67Å; R837-Y840 PolarHBondContact O-N 3.27Å; Y840-E842 PolarHBondContact O-N 2.81Å; Y840-L843 PolarHBondContact O-N 2.63Å; Y840-Q844 WeakPolarHBondContact O-CB 3.35Å; Y840-Q844 PolarHBondContact O-N 3.2Å
841	T	86.9	Confident	81.2	Confident	69 Å²	69	75.6 Å²	75.6	42%	0.423	36%	0.363	S	S	.	.	H	α-helix	trans	-64.3	-37.2	175.3	47.8	0	0	0	0	113.1	R837 R838 Q844 L845	R837-T841 PolarHBondContact O-N 3.12Å; R837-T841 PolarHBondContact O-OG1 3.3Å; R837-T841 VanDerWaalsContact O-OG1 3.08Å; R838-T841 WeakPolarHBondContact CA-OG1 3.39Å; R838-T841 PolarHBondContact O-N 2.87Å; R838-T841 PolarHBondContact O-OG1 2.94Å; T841-Q844 PolarHBondContact O-N 2.71Å; T841-L845 WeakPolarHBondContact O-CG 3.46Å; T841-L845 PolarHBondContact O-N 2.93Å
842	E	84.6	Confident	80.7	Confident	131 Å²	131	71.1 Å²	71.1	61%	0.612	34%	0.342	S	S	*	.	H	α-helix	trans	-63.6	-45.8	175.5	-172.7	-177.2	171.4	0	0	111.4	R838 K839 Y840 Q844 L845 E846	R838-E842 WeakPolarHBondContact O-CB 3.46Å; R838-E842 PolarHBondContact O-N 2.95Å; K839-E842 PolarHBondContact O-N 3.41Å; Y840-E842 PolarHBondContact O-N 2.81Å; E842-Q844 VanDerWaalsContact C-N 3.34Å; E842-Q844 PolarHBondContact O-N 3.42Å; E842-L845 PolarHBondContact O-N 2.92Å; E842-E846 PolarHBondContact O-N 2.98Å
843	L	85.4	Confident	79.8	Confident	18 Å²	18	69.5 Å²	69.5	9%	0.094	34%	0.337	C	S	.	.	H	α-helix	trans	-65.6	-34.9	175	-71.6	170.6	0	0	0	112.6	E815 T819 K839 Y840 E846 A847	E815-L843 HydrophobicContact CG-CD1 4.05Å; E815-L843 HydrophobicContact CG-CD2 3.8Å; T819-L843 HydrophobicContact CG2-CD1 3.69Å; T819-L843 WeakPolarHBondContact OG1-CD1 3.47Å; K839-L843 WeakPolarHBondContact O-CG 3.35Å; K839-L843 PolarHBondContact O-N 2.64Å; Y840-L843 PolarHBondContact O-N 2.63Å; L843-E846 PolarHBondContact O-N 3.44Å; L843-A847 VanDerWaalsContact O-CB 3.26Å; L843-A847 WeakPolarHBondContact O-CB 3.49Å; L843-A847 PolarHBondContact O-N 3.4Å
844	Q	79.9	Confident	77.6	Confident	83 Å²	83	73 Å²	73	39%	0.388	36%	0.362	S	S	.	.	H	α-helix	trans	-65.8	-41	175	-168.3	176.5	2	0	0	111.4	L816 Y840 T841 E842 A847 A848 L853	L816-Q844 HydrophobicContact CD1-CB 4.49Å; Y840-Q844 WeakPolarHBondContact O-CB 3.35Å; Y840-Q844 PolarHBondContact O-N 3.2Å; T841-Q844 PolarHBondContact O-N 2.71Å; E842-Q844 VanDerWaalsContact C-N 3.34Å; E842-Q844 PolarHBondContact O-N 3.42Å; Q844-A847 PolarHBondContact O-N 3.27Å; Q844-A848 PolarHBondContact O-N 3.16Å; Q844-L853 HydrophobicContact CG-CD1 3.87Å
845	L	82.3	Confident	75.6	Confident	72 Å²	72	75.1 Å²	75.1	38%	0.377	38%	0.38	S	S	.	.	H	α-helix	trans	-66.3	-43.3	173.4	-71.4	169.7	0	0	0	111.9	T841 E842 A847 A848 K849	T841-L845 WeakPolarHBondContact O-CG 3.46Å; T841-L845 PolarHBondContact O-N 2.93Å; E842-L845 PolarHBondContact O-N 2.92Å; L845-A847 PolarHBondContact O-N 3.11Å; L845-A848 PolarHBondContact O-N 3.16Å; L845-K849 VanDerWaalsContact O-CB 3.31Å; L845-K849 WeakPolarHBondContact O-CB 3.24Å; L845-K849 PolarHBondContact O-N 2.96Å
846	E	80.1	Confident	73.4	Confident	35 Å²	35	73.6 Å²	73.6	16%	0.164	39%	0.393	C	S	.	.	H	α-helix	trans	-61.7	-34.1	174.4	-161.5	-173.7	166.6	0	0	111.8	K804 M812 E842 L843 R850	K804-E846 VanDerWaalsContact CD-OE1 3.32Å; K804-E846 WeakPolarHBondContact CD-OE1 3.43Å; K804-E846 IonicContact NZ-OE1 2.74Å; K804-E846 IonicContact NZ-OE2 2.61Å; K804-E846 PolarHBondContact NZ-OE2 2.88Å; M812-E846 HydrophobicContact CE-CB 4.28Å; M812-E846 HydrophobicContact CE-CG 3.72Å; E842-E846 PolarHBondContact O-N 2.98Å; L843-E846 PolarHBondContact O-N 3.44Å; E846-R850 PolarHBondContact O-N 3.31Å; E846-R850 VanDerWaalsContact O-N 3.14Å; E846-R850 IonicContact OE1-CZ 3.84Å; E846-R850 IonicContact OE1-NH1 2.69Å; E846-R850 PolarHBondContact OE1-NH1 2.69Å; E846-R850 IonicContact OE1-NH2 2.81Å; E846-R850 PolarHBondContact OE1-NH2 3.44Å
847	A	78.9	Confident	71.1	Confident	1 Å²	1	84.9 Å²	84.9	1%	0.008	43%	0.434	C	S	.	.	H	α-helix	trans	-76.2	-30.4	176.5	0	0	0	0	0	114.3	M812 L816 L843 Q844 L845 G851 I852 L853	M812-A847 HydrophobicContact CG-CB 4.25Å; M812-A847 WeakPolarHBondContact SD-CA 3.32Å; M812-A847 HydrophobicContact SD-CB 3.52Å; M812-A847 VanDerWaalsContact SD-CB 3.52Å; L816-A847 HydrophobicContact CD1-CB 4.29Å; L843-A847 VanDerWaalsContact O-CB 3.26Å; L843-A847 WeakPolarHBondContact O-CB 3.49Å; L843-A847 PolarHBondContact O-N 3.4Å; Q844-A847 PolarHBondContact O-N 3.27Å; L845-A847 PolarHBondContact O-N 3.11Å; A847-G851 PolarHBondContact O-N 2.81Å; A847-I852 HydrophobicContact CB-CB 4.37Å; A847-I852 HydrophobicContact CB-CG2 4.35Å; A847-I852 WeakPolarHBondContact O-CA 3.19Å; A847-I852 PolarHBondContact O-N 3.19Å; A847-L853 HydrophobicContact CB-CD1 4.32Å; A847-L853 HydrophobicContact CB-CD2 3.77Å; A847-L853 HydrophobicContact CB-CG 3.67Å; A847-L853 PolarHBondContact O-N 2.97Å
848	A	77.3	Confident	68.7	Low	23 Å²	23	81.3 Å²	81.3	19%	0.19	44%	0.44	C	S	.	.	H	α-helix	trans	-66.3	-50.5	166.4	0	0	0	0	0	110.6	Q844 L845 R850 G851 L853	Q844-A848 PolarHBondContact O-N 3.16Å; L845-A848 PolarHBondContact O-N 3.16Å; A848-R850 PolarHBondContact O-N 3.43Å; A848-R850 VanDerWaalsContact O-N 3.16Å; A848-G851 PolarHBondContact O-N 2.61Å; A848-L853 HydrophobicContact CB-CD1 4.22Å
849	K	79.3	Confident	66.3	Low	109 Å²	109	85.2 Å²	85.2	47%	0.474	45%	0.454	S	S	.	.	H	α-helix	trans	-60.2	-25.7	-177.8	-160.1	163.4	-166.7	135.4	0	114	L845 E919 D920	L845-K849 VanDerWaalsContact O-CB 3.31Å; L845-K849 WeakPolarHBondContact O-CB 3.24Å; L845-K849 PolarHBondContact O-N 2.96Å; K849-E919 PolarHBondContact NZ-O 3.28Å; K849-D920 IonicContact NZ-OD1 2.63Å; K849-D920 PolarHBondContact NZ-OD1 3.04Å
850	R	71.9	Confident	63.8	Low	111 Å²	111	84.3 Å²	84.3	42%	0.419	47%	0.47	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99	6.5	172.2	-65	-153	-173.4	101.8	19.5	115.3	M812 E846 A848 I852	M812-R850 HydrophobicContact CE-CB 4.39Å; M812-R850 HydrophobicContact CE-CG 4.24Å; E846-R850 PolarHBondContact O-N 3.31Å; E846-R850 VanDerWaalsContact O-N 3.14Å; E846-R850 IonicContact OE1-CZ 3.84Å; E846-R850 IonicContact OE1-NH1 2.69Å; E846-R850 PolarHBondContact OE1-NH1 2.69Å; E846-R850 IonicContact OE1-NH2 2.81Å; E846-R850 PolarHBondContact OE1-NH2 3.44Å; A848-R850 PolarHBondContact O-N 3.43Å; A848-R850 VanDerWaalsContact O-N 3.16Å; R850-I852 HydrophobicContact CB-CD1 3.7Å; R850-I852 HydrophobicContact CB-CG1 3.93Å; R850-I852 PolarHBondContact O-N 3.24Å
851	G	68.3	Low	60.9	Low	49 Å²	49	90 Å²	90	51%	0.505	50%	0.502	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.3	30.9	-177.5	0	0	0	0	0	113	K809 A847 A848	K809-G851 PolarHBondContact NZ-O 3.44Å; A847-G851 PolarHBondContact O-N 2.81Å; A848-G851 PolarHBondContact O-N 2.61Å
852	I	71.1	Confident	58.5	Low	8 Å²	8	95 Å²	95	4%	0.041	52%	0.52	C	S	.	.			trans	-91.6	-32.1	-175.1	-74.9	176.4	0	0	0	111.3	K809 M812 Q813 A847 R850 S854	K809-I852 HydrophobicContact CB-CD1 4.26Å; K809-I852 HydrophobicContact CB-CG1 4.27Å; K809-I852 HydrophobicContact CD-CG1 3.94Å; K809-I852 WeakPolarHBondContact CE-O 3.35Å; K809-I852 HydrophobicContact CG-CB 4.45Å; K809-I852 HydrophobicContact CG-CD1 4.35Å; K809-I852 HydrophobicContact CG-CG1 3.87Å; K809-I852 HydrophobicContact CG-CG2 4.13Å; M812-I852 HydrophobicContact CB-CD1 4.21Å; M812-I852 HydrophobicContact CB-CG2 4.43Å; M812-I852 HydrophobicContact CE-CD1 3.93Å; M812-I852 HydrophobicContact CG-CD1 4.46Å; M812-I852 HydrophobicContact CG-CG2 4.3Å; M812-I852 HydrophobicContact SD-CB 3.81Å; M812-I852 HydrophobicContact SD-CD1 3.39Å; M812-I852 WeakPolarHBondContact SD-CD1 3.21Å; M812-I852 HydrophobicContact SD-CG1 4.12Å; M812-I852 HydrophobicContact SD-CG2 3.76Å; Q813-I852 HydrophobicContact CG-CG2 3.54Å; Q813-I852 PolarHBondContact NE2-O 2.82Å; A847-I852 HydrophobicContact CB-CB 4.37Å; A847-I852 HydrophobicContact CB-CG2 4.35Å; A847-I852 WeakPolarHBondContact O-CA 3.19Å; A847-I852 PolarHBondContact O-N 3.19Å; R850-I852 HydrophobicContact CB-CD1 3.7Å; R850-I852 HydrophobicContact CB-CG1 3.93Å; R850-I852 PolarHBondContact O-N 3.24Å; I852-S854 PolarHBondContact O-N 3.48Å
853	L	55.9	Low	55.7	Low	75 Å²	75	94.5 Å²	94.5	39%	0.393	53%	0.531	S	S	.	.	S	Bend	trans	-67.4	113.9	164.5	-59	-178.2	0	0	0	110.1	L816 Q844 A847 A848	L816-L853 HydrophobicContact CD1-CD2 3.87Å; Q844-L853 HydrophobicContact CG-CD1 3.87Å; A847-L853 HydrophobicContact CB-CD1 4.32Å; A847-L853 HydrophobicContact CB-CD2 3.77Å; A847-L853 HydrophobicContact CB-CG 3.67Å; A847-L853 PolarHBondContact O-N 2.97Å; A848-L853 HydrophobicContact CB-CD1 4.22Å
854	S	42.1	Very low	53.1	Low	95 Å²	95	105.7 Å²	105.7	66%	0.664	57%	0.572	S	S	*	*			trans	-67	138.5	162.4	-65.1	0	0	0	0	109.1	I852 G856	I852-S854 PolarHBondContact O-N 3.48Å; S854-G856 PolarHBondContact O-N 3.21Å
855	S	39.6	Very low	50.6	Low	129 Å²	129	105.3 Å²	105.3	90%	0.902	59%	0.591	S	S	*	*			trans	-60.8	102.8	172.4	-173.3	0	0	0	0	109.9	R857	S855-R857 PolarHBondContact O-N 2.73Å
856	G	37.3	Very low	48.4	Very low	72 Å²	72	114 Å²	114	74%	0.742	62%	0.619	S	S	*	*			trans	-85.5	55.1	-153.2	0	0	0	0	0	116.1	S854 G858	S854-G856 PolarHBondContact O-N 3.21Å; G856-G858 PolarHBondContact O-N 3.03Å
857	R	33.6	Very low	46.1	Very low	257 Å²	257	116.3 Å²	116.3	97%	0.97	65%	0.652	S	S	*	*			trans	-76.8	76.3	164.3	-92	-165.4	173.1	-151.4	-1.5	111.7	S855	S855-R857 PolarHBondContact O-N 2.73Å
858	G	32	Very low	44.1	Very low	63 Å²	63	121.2 Å²	121.2	65%	0.649	69%	0.692	S	S	*	*			trans	-106.6	169.4	154	0	0	0	0	0	111.1	G856	G856-G858 PolarHBondContact O-N 3.03Å
859	R	35.7	Very low	42.1	Very low	250 Å²	250	127.1 Å²	127.1	94%	0.943	73%	0.725	S	S	*	*			cis	-164.7	141.7	-26.5	-150.3	-175.2	-167.9	-150.4	6.9	108.8
860	G	29.7	Very low	39.8	Very low	69 Å²	69	130.9 Å²	130.9	71%	0.711	74%	0.744	S	S	*	*			trans	138.9	149.5	174.6	0	0	0	0	0	111.7
861	I	27.7	Very low	37.9	Very low	170 Å²	170	129.4 Å²	129.4	87%	0.872	76%	0.763	S	S	*	*			cis	-128.9	160.1	-7	-69.9	175.3	0	0	0	107.8
862	H	35.9	Very low	36.2	Very low	174 Å²	174	138.9 Å²	138.9	81%	0.806	78%	0.784	S	S	*	*			trans	-69.1	139.3	-173.6	-61.9	-83	0	0	0	114.3
863	S	26.6	Very low	34.4	Very low	121 Å²	121	142.4 Å²	142.4	85%	0.846	82%	0.822	S	S	*	*			trans	-152.3	139.2	144.7	-94	0	0	0	0	114.4
864	R	30.3	Very low	33.5	Very low	253 Å²	253	151.3 Å²	151.3	96%	0.955	85%	0.85	S	S	*	*			trans	-21	140.9	173.9	-60.5	161	172.2	153.1	-4.1	118
865	G	28.1	Very low	33.2	Very low	75 Å²	75	150.3 Å²	150.3	77%	0.773	86%	0.855	S	S	*	*			trans	157.6	102.6	142.4	0	0	0	0	0	119.7
866	R	35.8	Very low	33.1	Very low	256 Å²	256	156.7 Å²	156.7	97%	0.966	86%	0.859	S	S	*	*			trans	30.5	120.4	146.5	-62.7	-175.9	175.6	-155.4	-0.9	121
867	G	31.4	Very low	33	Very low	83 Å²	83	156.6 Å²	156.6	86%	0.856	86%	0.858	S	S	*	*				98.7	106.9	108.1	0	0	0	0	0	118.7
868	A	36.7	Very low	33.2	Very low	103 Å²	103	156.6 Å²	156.6	85%	0.851	86%	0.858	S	S	*	*			trans	-102	138.3	164.5	0	0	0	0	0	111.4
869	V	34.6	Very low	33.4	Very low	147 Å²	147	156.9 Å²	156.9	89%	0.891	86%	0.861	S	S	*	*			trans	-143.8	141.3	162.2	177.6	0	0	0	0	109.5
870	H	32.6	Very low	33.7	Very low	188 Å²	188	156.6 Å²	156.6	87%	0.87	86%	0.86	S	S	*	*			trans	-89	146.2	176.2	-65.9	-47.6	0	0	0	113.2
871	G	31.5	Very low	34	Very low	80 Å²	80	157 Å²	157	83%	0.825	86%	0.863	S	S	*	*			trans	-146.2	47	-176.8	0	0	0	0	0	116.8
872	R	32.6	Very low	34.9	Very low	249 Å²	249	154.6 Å²	154.6	94%	0.94	86%	0.857	S	S	*	*			trans	23.5	114.3	143.6	-61.9	-179.9	172.1	-150.6	-1.7	120.3
873	G	32.2	Very low	35.5	Very low	81 Å²	81	151.9 Å²	151.9	84%	0.835	86%	0.855	S	S	*	*			trans	-150.2	138.4	154.8	0	0	0	0	0	110.9
874	R	37.3	Very low	36.2	Very low	263 Å²	263	149.5 Å²	149.5	99%	0.992	85%	0.849	S	S	*	*			trans	-113.1	138.7	-174.8	-71.4	-179.3	168.5	-167.9	-4.2	111.5
875	G	35.4	Very low	36.7	Very low	73 Å²	73	145.9 Å²	145.9	75%	0.753	84%	0.843	S	S	*	*			trans	-128.2	-55.1	-177.6	0	0	0	0	0	117.1
876	R	39	Very low	38	Very low	264 Å²	264	146.9 Å²	146.9	100%	0.996	84%	0.844	S	S	*	*			trans	74.8	148.6	-163.9	-53.7	179.8	168.6	-156.6	-2.8	113.7
877	G	34.7	Very low	39.1	Very low	70 Å²	70	140.4 Å²	140.4	72%	0.722	83%	0.832	S	S	*	*			trans	-176.7	-32	177.1	0	0	0	0	0	119.5
878	R	36.4	Very low	40.3	Very low	257 Å²	257	141.2 Å²	141.2	97%	0.97	82%	0.82	S	S	*	*			trans	68.5	155.6	-161.8	-48.3	-179.9	-179.5	-140.5	0.2	112.2
879	G	37.9	Very low	41.2	Very low	69 Å²	69	139.9 Å²	139.9	71%	0.711	80%	0.799	S	S	*	*			cis	-128.8	179.7	-6.2	0	0	0	0	0	111.8
880	R	41.4	Very low	42.6	Very low	244 Å²	244	141 Å²	141	92%	0.921	79%	0.794	S	S	*	*			trans	-63.9	134.8	165.5	-71.2	-179.5	174.3	-169.6	-1.9	108.1	V882	R880-V882 PolarHBondContact O-N 2.84Å; R880-V882 VanDerWaalsContact O-N 3.09Å
881	G	36	Very low	44.5	Very low	76 Å²	76	139.6 Å²	139.6	78%	0.784	78%	0.781	S	S	*	*			trans	-62.7	109.7	156.7	0	0	0	0	0	107.5
882	V	46.1	Very low	47	Very low	121 Å²	121	137.8 Å²	137.8	73%	0.733	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-59.3	139.7	163.4	-175.9	0	0	0	0	106.2	R880 G884	R880-V882 PolarHBondContact O-N 2.84Å; R880-V882 VanDerWaalsContact O-N 3.09Å; V882-G884 PolarHBondContact O-N 2.89Å; V882-G884 VanDerWaalsContact O-N 3.1Å
883	P	48.5	Very low	49.7	Very low	117 Å²	117	130.3 Å²	130.3	76%	0.76	73%	0.726	S	S	*	*	P	Polyproline II helix	trans	-51.4	123.5	168.6	-23.3	33.8	0	0	0	108.1	H885	P883-H885 PolarHBondContact O-N 3.14Å
884	G	41.5	Very low	52.5	Low	70 Å²	70	127 Å²	127	72%	0.722	69%	0.691	S	S	*	*	P	Polyproline II helix	trans	-53.2	137.6	177.9	0	0	0	0	0	108.9	V882 A886	V882-G884 PolarHBondContact O-N 2.89Å; V882-G884 VanDerWaalsContact O-N 3.1Å; G884-A886 PolarHBondContact O-N 3.34Å
885	H	41.4	Very low	55	Low	178 Å²	178	114.5 Å²	114.5	82%	0.824	64%	0.644	S	S	*	*			trans	-43	120	-174.8	-98.7	-102.7	0	0	0	110.1	P883 V887	P883-H885 PolarHBondContact O-N 3.14Å; H885-V887 HydrophobicContact CB-CG2 3.98Å; H885-V887 PolarHBondContact O-N 3.14Å
886	A	55.9	Low	57.6	Low	96 Å²	96	113.9 Å²	113.9	79%	0.793	62%	0.622	S	S	*	*			trans	-70.9	75	164.3	0	0	0	0	0	107.1	G884 V888	G884-A886 PolarHBondContact O-N 3.34Å; A886-V888 PolarHBondContact O-N 3.32Å; A886-V888 VanDerWaalsContact O-N 3.11Å
887	V	57.2	Low	60	Low	119 Å²	119	101.3 Å²	101.3	72%	0.721	57%	0.574	S	S	*	*			trans	-60.7	114.4	171.7	179.8	0	0	0	0	105.9	H885 D889	H885-V887 HydrophobicContact CB-CG2 3.98Å; H885-V887 PolarHBondContact O-N 3.14Å; V887-D889 PolarHBondContact O-N 2.77Å
888	V	58.3	Low	62.4	Low	101 Å²	101	99.5 Å²	99.5	61%	0.612	55%	0.551	S	S	*	*			trans	-68.9	104	175.5	-176.2	0	0	0	0	106.5	A886 H890	A886-V888 PolarHBondContact O-N 3.32Å; A886-V888 VanDerWaalsContact O-N 3.11Å; V888-H890 WeakPolarHBondContact CG1-NE2 3.41Å; V888-H890 PolarHBondContact O-CD2 3.16Å; V888-H890 PolarHBondContact O-N 3.16Å
889	D	55.4	Low	64.4	Low	75 Å²	75	89.9 Å²	89.9	40%	0.401	53%	0.526	S	S	.	.			trans	-76.2	91.4	176.9	-166.7	-0.9	0	0	0	108.8	V887 R891 R937	V887-D889 PolarHBondContact O-N 2.77Å; D889-R891 PolarHBondContact O-N 2.63Å; D889-R891 VanDerWaalsContact O-N 3.16Å; D889-R891 VanDerWaalsContact OD1-CB 3.24Å; D889-R891 WeakPolarHBondContact OD1-CB 3.49Å; D889-R891 VanDerWaalsContact OD1-CD 3.24Å; D889-R891 WeakPolarHBondContact OD1-CD 3.33Å; D889-R891 WeakPolarHBondContact OD1-CG 3.36Å; D889-R891 PolarHBondContact OD1-N 2.88Å; D889-R891 IonicContact OD1-NE 3.38Å; D889-R937 IonicContact OD1-NH1 2.7Å; D889-R937 WeakPolarHBondContact OD2-CD 3.4Å; D889-R937 IonicContact OD2-CZ 2.65Å; D889-R937 IonicContact OD2-NE 3.15Å; D889-R937 IonicContact OD2-NH1 2.77Å; D889-R937 PolarHBondContact OD2-NH1 3.33Å
890	H	64.3	Low	66.5	Low	171 Å²	171	87 Å²	87	79%	0.792	49%	0.494	S	S	*	.			trans	-71.6	4.4	179.6	-69.8	-84.8	0	0	0	113.9	V888	V888-H890 WeakPolarHBondContact CG1-NE2 3.41Å; V888-H890 PolarHBondContact O-CD2 3.16Å; V888-H890 PolarHBondContact O-N 3.16Å
891	R	71.8	Confident	68.2	Low	158 Å²	158	77.8 Å²	77.8	60%	0.596	47%	0.465	S	S	*	.	S	Bend	trans	-81.7	152.9	-178.8	-61.1	172.4	-177.8	-168.4	2.4	110.9	D889	D889-R891 PolarHBondContact O-N 2.63Å; D889-R891 VanDerWaalsContact O-N 3.16Å; D889-R891 VanDerWaalsContact OD1-CB 3.24Å; D889-R891 WeakPolarHBondContact OD1-CB 3.49Å; D889-R891 VanDerWaalsContact OD1-CD 3.24Å; D889-R891 WeakPolarHBondContact OD1-CD 3.33Å; D889-R891 WeakPolarHBondContact OD1-CG 3.36Å; D889-R891 PolarHBondContact OD1-N 2.88Å; D889-R891 IonicContact OD1-NE 3.38Å
892	P	84.2	Confident	70	Confident	42 Å²	42	80.6 Å²	80.6	27%	0.273	46%	0.458	S	S	.	.			trans	-60.1	141	-173.5	23.6	-34.6	0	0	0	112.7	R937 W959 N960	P892-R937 WeakPolarHBondContact O-CD 3.11Å; P892-W959 HydrophobicContact CB-CE3 4.12Å; P892-W959 HydrophobicContact CG-CB 4.09Å; P892-W959 HydrophobicContact CG-CD2 4.39Å; P892-W959 HydrophobicContact CG-CE3 3.95Å; P892-W959 HydrophobicContact CG-CG 4.49Å; P892-W959 WeakPolarHBondContact O-CZ3 3.3Å; P892-N960 WeakPolarHBondContact CB-O 3.25Å
893	R	89.1	Confident	71.2	Confident	91 Å²	91	79.3 Å²	79.3	34%	0.343	45%	0.454	S	S	.	.			trans	-112	6.4	174.6	-70.7	170.2	53.4	-144.7	-12.8	112.4	E919 T933 F934 K935 R937	R893-E919 IonicContact CZ-OE2 3.28Å; R893-E919 IonicContact NH1-OE2 3.15Å; R893-E919 IonicContact NH2-OE2 2.6Å; R893-E919 PolarHBondContact NH2-OE2 3.14Å; R893-T933 WeakPolarHBondContact O-CA 3.11Å; R893-F934 VanDerWaalsContact CZ-O 3.31Å; R893-F934 PolarHBondContact NE-O 3.02Å; R893-F934 PolarHBondContact NH2-O 2.81Å; R893-F934 PolarHBondContact O-N 3.29Å; R893-K935 VanDerWaalsContact NH2-CA 3.31Å; R893-K935 PolarHBondContact NH2-O 3.16Å; R893-K935 VanDerWaalsContact NH2-O 3.16Å; R893-R937 HydrophobicContact CG-CB 3.97Å
894	A	89.9	Confident	72.6	Confident	12 Å²	12	74.3 Å²	74.3	10%	0.099	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	132.4	-176.1	0	0	0	0	0	109.9	V931 I932 T933 N960	A894-V931 HydrophobicContact CB-CG1 4.19Å; A894-I932 WeakPolarHBondContact CA-O 3.01Å; A894-T933 HydrophobicContact CB-CG2 3.76Å; A894-N960 HydrophobicContact CB-CB 3.89Å; A894-N960 PolarHBondContact O-N 3.43Å
895	L	89.6	Confident	74.2	Confident	1 Å²	1	74.8 Å²	74.8	1%	0.005	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	128.4	170.3	-61.9	-179	0	0	0	109	V931 I932 F934 A943 A944 L957 A958 W959	L895-V931 CarbonylContact O-C 3.59Å; L895-V931 WeakPolarHBondContact O-CA 3.48Å; L895-I932 PolarHBondContact N-O 2.96Å; L895-I932 PolarHBondContact O-N 3.18Å; L895-F934 HydrophobicContact CD1-CE2 3.86Å; L895-F934 HydrophobicContact CG-CE2 4.18Å; L895-A943 HydrophobicContact CD1-CB 3.62Å; L895-A944 HydrophobicContact CD1-CB 4.11Å; L895-A944 HydrophobicContact CD2-CB 3.99Å; L895-L957 HydrophobicContact CB-CD2 4.15Å; L895-L957 HydrophobicContact CD1-CD2 4.11Å; L895-A958 CarbonylContact C-O 3.56Å; L895-A958 WeakPolarHBondContact CA-O 3.29Å; L895-W959 HydrophobicContact CD2-CD2 3.68Å; L895-W959 HydrophobicContact CD2-CE3 3.56Å; L895-W959 HydrophobicContact CD2-CG 4.37Å; L895-W959 HydrophobicContact CD2-CH2 3.97Å; L895-W959 HydrophobicContact CD2-CZ2 4.05Å; L895-W959 HydrophobicContact CD2-CZ3 3.72Å
896	E	90.6	Very high	75.9	Confident	60 Å²	60	72.5 Å²	72.5	28%	0.28	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	132.3	161.9	157.2	176.7	-167.9	0	0	108.1	H929 A930 L957 A958 N960	E896-H929 VanDerWaalsContact CG-CE1 3.46Å; E896-H929 WeakPolarHBondContact CG-CE1 3.4Å; E896-H929 IonicContact OE1-CE1 3.73Å; E896-H929 PolarHBondContact OE1-CE1 2.76Å; E896-H929 IonicContact OE1-ND1 2.71Å; E896-H929 PolarHBondContact OE1-ND1 3.23Å; E896-A930 CarbonylContact C-O 3.59Å; E896-L957 CarbonylContact O-C 3.51Å; E896-L957 WeakPolarHBondContact O-CA 3.37Å; E896-A958 HydrophobicContact CB-CB 4.12Å; E896-A958 HydrophobicContact CG-CB 4.11Å; E896-A958 PolarHBondContact N-O 2.77Å; E896-A958 PolarHBondContact O-N 2.89Å; E896-N960 HydrophobicContact CB-CB 4.22Å
897	I	90.3	Very high	77.1	Confident	0 Å²	0	71.5 Å²	71.5	0%	0	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	126.1	178	-61.8	151.6	0	0	0	106.7	F900 L908 F912 H929 A930 I932 L955 L957	I897-F900 HydrophobicContact CG2-CD1 3.94Å; I897-F900 HydrophobicContact CG2-CE1 4.36Å; I897-L908 HydrophobicContact CG2-CD1 4.45Å; I897-L908 HydrophobicContact CG2-CD2 4.34Å; I897-F912 HydrophobicContact CD1-CD2 3.69Å; I897-F912 HydrophobicContact CD1-CE1 4.36Å; I897-F912 HydrophobicContact CD1-CE2 3.45Å; I897-F912 VanDerWaalsContact CD1-CE2 3.45Å; I897-F912 HydrophobicContact CD1-CG 4.28Å; I897-F912 HydrophobicContact CD1-CZ 3.81Å; I897-F912 HydrophobicContact CG1-CE2 4.01Å; I897-F912 HydrophobicContact CG1-CZ 3.98Å; I897-H929 WeakPolarHBondContact O-CA 3.36Å; I897-A930 HydrophobicContact CB-CB 4.37Å; I897-A930 WeakPolarHBondContact CB-O 3.49Å; I897-A930 PolarHBondContact N-O 3.31Å; I897-A930 PolarHBondContact O-N 2.93Å; I897-I932 HydrophobicContact CD1-CB 4.26Å; I897-I932 HydrophobicContact CD1-CD1 3.5Å; I897-I932 HydrophobicContact CD1-CG1 3.76Å; I897-L955 HydrophobicContact CG2-CB 4.39Å; I897-L955 HydrophobicContact CG2-CD1 3.97Å; I897-L955 HydrophobicContact CG2-CD2 4.39Å; I897-L955 HydrophobicContact CG2-CG 4.5Å; I897-L957 HydrophobicContact CB-CD2 4.49Å; I897-L957 HydrophobicContact CG1-CD2 3.5Å; I897-L957 VanDerWaalsContact CG1-CD2 3.5Å
898	S	83.9	Confident	78.4	Confident	32 Å²	32	65.9 Å²	65.9	22%	0.224	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	166	172.9	57.3	0	0	0	0	111.1	K956	S898-K956 PolarHBondContact N-O 3.46Å; S898-K956 PolarHBondContact O-N 3.43Å; S898-K956 VanDerWaalsContact OG-CB 3.24Å; S898-K956 WeakPolarHBondContact OG-CB 3.46Å; S898-K956 PolarHBondContact OG-O 3.48Å
899	A	79.7	Confident	79.6	Confident	55 Å²	55	63.9 Å²	63.9	46%	0.455	32%	0.323	S	S	.	.	S	Bend	trans	64.5	46.4	-175.4	0	0	0	0	0	114.8	K956	A899-K956 HydrophobicContact CB-CD 4.25Å; A899-K956 HydrophobicContact CB-CG 4.35Å
900	F	80.9	Confident	81.1	Confident	8 Å²	8	63.4 Å²	63.4	4%	0.035	33%	0.325	C	S	.	.			trans	-108	161.5	162.2	61	-84.9	0	0	0	110.4	I897 D904 R905 L908 I923 L928 A930 L955	I897-F900 HydrophobicContact CG2-CD1 3.94Å; I897-F900 HydrophobicContact CG2-CE1 4.36Å; F900-D904 HydrophobicContact CB-CB 4.24Å; F900-R905 HydrophobicContact CE2-CB 4.26Å; F900-L908 HydrophobicContact CB-CD1 4.2Å; F900-L908 HydrophobicContact CB-CD2 4.35Å; F900-L908 HydrophobicContact CD1-CD1 3.81Å; F900-L908 HydrophobicContact CD2-CD1 3.57Å; F900-L908 HydrophobicContact CD2-CG 4.43Å; F900-L908 HydrophobicContact CE1-CD1 3.97Å; F900-L908 HydrophobicContact CE2-CD1 3.77Å; F900-L908 HydrophobicContact CG-CD1 3.6Å; F900-L908 HydrophobicContact CG-CG 4.42Å; F900-L908 HydrophobicContact CZ-CD1 3.97Å; F900-I923 HydrophobicContact CZ-CG2 4.39Å; F900-L928 WeakPolarHBondContact CE1-O 3.35Å; F900-A930 HydrophobicContact CE1-CB 3.83Å; F900-A930 HydrophobicContact CZ-CB 3.82Å; F900-L955 HydrophobicContact CB-CD2 3.84Å
901	T	77.3	Confident	82.1	Confident	51 Å²	51	56.5 Å²	56.5	31%	0.313	29%	0.292	S	S	.	.			trans	-88.8	159.6	174.6	76.2	0	0	0	0	112	S903 D904	T901-S903 PolarHBondContact O-N 2.98Å; T901-S903 PolarHBondContact OG1-OG 3.19Å; T901-D904 WeakPolarHBondContact CB-OD2 3.26Å; T901-D904 WeakPolarHBondContact CG2-OD2 3.27Å; T901-D904 PolarHBondContact N-OD2 2.85Å; T901-D904 WeakPolarHBondContact O-CA 3.46Å; T901-D904 WeakPolarHBondContact O-CB 3.42Å; T901-D904 PolarHBondContact O-N 2.95Å; T901-D904 PolarHBondContact OG1-N 3.39Å; T901-D904 PolarHBondContact OG1-OD2 3.14Å
902	E	74.8	Confident	82.9	Confident	134 Å²	134	49 Å²	49	63%	0.626	26%	0.264	S	S	*	.	G	3₁₀ helix	trans	-53.1	-39.7	174.8	-168.7	-167.8	167.1	0	0	112	D904 R905	E902-D904 PolarHBondContact O-N 2.61Å; E902-R905 WeakPolarHBondContact O-CD 3.39Å; E902-R905 VanDerWaalsContact O-CG 3.22Å; E902-R905 WeakPolarHBondContact O-CG 3.36Å; E902-R905 PolarHBondContact O-N 3.34Å
903	S	70.8	Confident	83.1	Confident	95 Å²	95	49.4 Å²	49.4	66%	0.664	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	-66	-14	175.2	36.2	0	0	0	0	115.1	T901	T901-S903 PolarHBondContact O-N 2.98Å; T901-S903 PolarHBondContact OG1-OG 3.19Å
904	D	78.3	Confident	82.9	Confident	11 Å²	11	51.9 Å²	51.9	6%	0.059	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-92.7	-17.8	-179.7	-66.2	-46.5	0	0	0	113.6	F900 T901 E902 E906 D907 L908 F950 K951	F900-D904 HydrophobicContact CB-CB 4.24Å; T901-D904 WeakPolarHBondContact CB-OD2 3.26Å; T901-D904 WeakPolarHBondContact CG2-OD2 3.27Å; T901-D904 PolarHBondContact N-OD2 2.85Å; T901-D904 WeakPolarHBondContact O-CA 3.46Å; T901-D904 WeakPolarHBondContact O-CB 3.42Å; T901-D904 PolarHBondContact O-N 2.95Å; T901-D904 PolarHBondContact OG1-N 3.39Å; T901-D904 PolarHBondContact OG1-OD2 3.14Å; E902-D904 PolarHBondContact O-N 2.61Å; D904-E906 PolarHBondContact O-N 2.74Å; D904-D907 CarbonylContact O-C 3.54Å; D904-D907 PolarHBondContact O-N 3.29Å; D904-L908 WeakPolarHBondContact O-CG 3.47Å; D904-L908 PolarHBondContact O-N 2.68Å; D904-F950 HydrophobicContact CB-CE1 3.56Å; D904-F950 HydrophobicContact CB-CZ 3.96Å; D904-F950 WeakPolarHBondContact OD1-CE1 3.27Å; D904-K951 WeakPolarHBondContact OD1-CD 3.5Å; D904-K951 WeakPolarHBondContact OD1-CE 3.5Å; D904-K951 IonicContact OD1-NZ 3.56Å; D904-K951 PolarHBondContact OD1-NZ 3.04Å
905	R	74.9	Confident	82.6	Confident	81 Å²	81	54.1 Å²	54.1	31%	0.306	29%	0.293	S	S	.	.	H	α-helix	trans	-51.6	-34.5	-178.7	79.2	-172.3	-176.5	-178.8	-8.2	113.2	F900 E902 D925	F900-R905 HydrophobicContact CE2-CB 4.26Å; E902-R905 WeakPolarHBondContact O-CD 3.39Å; E902-R905 VanDerWaalsContact O-CG 3.22Å; E902-R905 WeakPolarHBondContact O-CG 3.36Å; E902-R905 PolarHBondContact O-N 3.34Å; R905-D925 IonicContact NH1-OD1 3.36Å
906	E	77.2	Confident	82.4	Confident	129 Å²	129	54.7 Å²	54.7	60%	0.603	30%	0.299	S	S	*	.	H	α-helix	trans	-81.7	-22	-174.9	-52.7	-168.4	-177.2	0	0	112.1	D904 P910	D904-E906 PolarHBondContact O-N 2.74Å; E906-P910 WeakPolarHBondContact O-CD 3.17Å; E906-P910 WeakPolarHBondContact O-CG 3.24Å
907	D	81.6	Confident	82.1	Confident	76 Å²	76	56 Å²	56	41%	0.406	31%	0.305	S	S	.	.	H	α-helix	trans	-99	-21.1	175.7	-78.3	-48	0	0	0	113	D904 L909 P910 H911 F950 K951	D904-D907 CarbonylContact O-C 3.54Å; D904-D907 PolarHBondContact O-N 3.29Å; D907-L909 PolarHBondContact O-N 3.37Å; D907-P910 WeakPolarHBondContact O-CD 3.24Å; D907-H911 WeakPolarHBondContact O-CB 3.31Å; D907-H911 PolarHBondContact O-N 3.27Å; D907-F950 HydrophobicContact CB-CE2 4.11Å; D907-F950 HydrophobicContact CB-CZ 3.7Å; D907-K951 WeakPolarHBondContact OD2-CE 3.23Å; D907-K951 IonicContact OD2-NZ 2.66Å; D907-K951 PolarHBondContact OD2-NZ 3.05Å
908	L	83.3	Confident	82	Confident	1 Å²	1	56.7 Å²	56.7	1%	0.005	31%	0.309	C	S	.	.	H	α-helix	trans	-54.1	-52.8	175.4	-82.3	-174.8	0	0	0	111.5	I897 F900 D904 H911 F912 A930 F950 L955	I897-L908 HydrophobicContact CG2-CD1 4.45Å; I897-L908 HydrophobicContact CG2-CD2 4.34Å; F900-L908 HydrophobicContact CB-CD1 4.2Å; F900-L908 HydrophobicContact CB-CD2 4.35Å; F900-L908 HydrophobicContact CD1-CD1 3.81Å; F900-L908 HydrophobicContact CD2-CD1 3.57Å; F900-L908 HydrophobicContact CD2-CG 4.43Å; F900-L908 HydrophobicContact CE1-CD1 3.97Å; F900-L908 HydrophobicContact CE2-CD1 3.77Å; F900-L908 HydrophobicContact CG-CD1 3.6Å; F900-L908 HydrophobicContact CG-CG 4.42Å; F900-L908 HydrophobicContact CZ-CD1 3.97Å; D904-L908 WeakPolarHBondContact O-CG 3.47Å; D904-L908 PolarHBondContact O-N 2.68Å; L908-H911 WeakPolarHBondContact O-CB 3.35Å; L908-H911 PolarHBondContact O-N 2.98Å; L908-H911 VanDerWaalsContact O-N 3.14Å; L908-F912 HydrophobicContact CD2-CD2 4.42Å; L908-F912 HydrophobicContact CD2-CE2 4.03Å; L908-F912 WeakPolarHBondContact O-CD2 3.46Å; L908-F912 PolarHBondContact O-N 2.89Å; L908-A930 HydrophobicContact CD1-CB 4.33Å; L908-F950 HydrophobicContact CD2-CD2 4.19Å; L908-F950 HydrophobicContact CD2-CE1 4.47Å; L908-F950 HydrophobicContact CD2-CE2 4.06Å; L908-F950 HydrophobicContact CD2-CG 4.43Å; L908-F950 HydrophobicContact CD2-CZ 4.18Å; L908-L955 HydrophobicContact CD2-CD1 3.72Å
909	L	84.1	Confident	82	Confident	58 Å²	58	58.9 Å²	58.9	30%	0.304	32%	0.315	S	S	.	.	H	α-helix	trans	-64.7	-46	-177.3	-174.2	155.9	0	0	0	111.8	D907 H911 F912 A913 I918 C921	D907-L909 PolarHBondContact O-N 3.37Å; L909-H911 VanDerWaalsContact C-N 3.27Å; L909-H911 PolarHBondContact O-N 3.45Å; L909-F912 PolarHBondContact O-N 3.44Å; L909-A913 WeakPolarHBondContact O-CB 3.47Å; L909-A913 PolarHBondContact O-N 2.81Å; L909-I918 HydrophobicContact CG-CD1 4.02Å; L909-C921 HydrophobicContact CD1-CB 4.01Å; L909-C921 VanDerWaalsContact CD1-SG 3.5Å
910	P	87	Confident	82.1	Confident	66 Å²	66	58.7 Å²	58.7	43%	0.429	31%	0.307	S	S	.	.	H	α-helix	trans	-56.8	-30.1	168.4	-29.5	35.7	0	0	0	116	E906 D907 Q914	E906-P910 WeakPolarHBondContact O-CD 3.17Å; E906-P910 WeakPolarHBondContact O-CG 3.24Å; D907-P910 WeakPolarHBondContact O-CD 3.24Å; P910-Q914 WeakPolarHBondContact O-CG 3.48Å; P910-Q914 PolarHBondContact O-NE2 2.65Å
911	H	85.8	Confident	82.3	Confident	25 Å²	25	60.5 Å²	60.5	12%	0.116	32%	0.32	C	S	.	.	H	α-helix	trans	-76.4	-51.4	175.2	170.7	-104.7	0	0	0	111.7	D907 L908 L909 A913 Q914 Y915 G947 R949 F950	D907-H911 WeakPolarHBondContact O-CB 3.31Å; D907-H911 PolarHBondContact O-N 3.27Å; L908-H911 WeakPolarHBondContact O-CB 3.35Å; L908-H911 PolarHBondContact O-N 2.98Å; L908-H911 VanDerWaalsContact O-N 3.14Å; L909-H911 VanDerWaalsContact C-N 3.27Å; L909-H911 PolarHBondContact O-N 3.45Å; H911-A913 VanDerWaalsContact C-N 3.26Å; H911-A913 PolarHBondContact O-N 2.62Å; H911-Q914 VanDerWaalsContact O-CB 3.26Å; H911-Q914 WeakPolarHBondContact O-CB 3.26Å; H911-Q914 WeakPolarHBondContact O-CG 3.48Å; H911-Q914 PolarHBondContact O-N 3.32Å; H911-Y915 AromaticContact ND1-CE2 3.98Å; H911-Y915 PolarHBondContact NE2-OH 3.19Å; H911-Y915 VanDerWaalsContact NE2-OH 3.07Å; H911-Y915 WeakPolarHBondContact O-CE2 3.49Å; H911-G947 WeakPolarHBondContact CE1-CA 3.39Å; H911-G947 PolarHBondContact CE1-O 3.3Å; H911-R949 PolarHBondContact NE2-O 2.82Å; H911-F950 HydrophobicContact CB-CD2 3.75Å; H911-F950 HydrophobicContact CB-CE2 3.71Å; H911-F950 AromaticContact CD2-CD2 3.86Å; H911-F950 AromaticContact CG-CD2 3.52Å; H911-F950 AromaticContact ND1-CD2 3.55Å
912	F	87.1	Confident	82.5	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-65.5	-29.5	-179.6	-82	-73.5	0	0	0	112.8	I897 L908 L909 Q914 Y915 G916 I918 I932 F934 A943 G947 L955 L957	I897-F912 HydrophobicContact CD1-CD2 3.69Å; I897-F912 HydrophobicContact CD1-CE1 4.36Å; I897-F912 HydrophobicContact CD1-CE2 3.45Å; I897-F912 VanDerWaalsContact CD1-CE2 3.45Å; I897-F912 HydrophobicContact CD1-CG 4.28Å; I897-F912 HydrophobicContact CD1-CZ 3.81Å; I897-F912 HydrophobicContact CG1-CE2 4.01Å; I897-F912 HydrophobicContact CG1-CZ 3.98Å; L908-F912 HydrophobicContact CD2-CD2 4.42Å; L908-F912 HydrophobicContact CD2-CE2 4.03Å; L908-F912 WeakPolarHBondContact O-CD2 3.46Å; L908-F912 PolarHBondContact O-N 2.89Å; L909-F912 PolarHBondContact O-N 3.44Å; F912-Q914 PolarHBondContact O-N 2.69Å; F912-Q914 VanDerWaalsContact O-N 3.16Å; F912-Y915 HydrophobicContact CD1-CD2 4.45Å; F912-Y915 PolarHBondContact O-N 2.9Å; F912-Y915 VanDerWaalsContact O-N 3.11Å; F912-G916 PolarHBondContact O-N 3.47Å; F912-I918 HydrophobicContact CB-CD1 4.21Å; F912-I932 HydrophobicContact CB-CD1 3.78Å; F912-I932 HydrophobicContact CD2-CD1 3.85Å; F912-I932 HydrophobicContact CG-CD1 3.92Å; F912-F934 HydrophobicContact CB-CZ 4.07Å; F912-F934 HydrophobicContact CD1-CZ 4.04Å; F912-F934 HydrophobicContact CG-CZ 4.46Å; F912-A943 HydrophobicContact CD1-CB 4.03Å; F912-A943 HydrophobicContact CE1-CB 4.37Å; F912-G947 VanDerWaalsContact CZ-O 3.3Å; F912-G947 WeakPolarHBondContact CZ-O 3.37Å; F912-L955 HydrophobicContact CE2-CD1 3.77Å; F912-L955 HydrophobicContact CZ-CD1 3.96Å; F912-L957 HydrophobicContact CE1-CD1 4.36Å; F912-L957 HydrophobicContact CE1-CD2 4.07Å; F912-L957 HydrophobicContact CZ-CD1 4.33Å; F912-L957 HydrophobicContact CZ-CD2 3.94Å
913	A	87.9	Confident	82.8	Confident	52 Å²	52	60.6 Å²	60.6	43%	0.43	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-11.9	170.7	0	0	0	0	0	114.7	L909 H911 G916 I918	L909-A913 WeakPolarHBondContact O-CB 3.47Å; L909-A913 PolarHBondContact O-N 2.81Å; H911-A913 VanDerWaalsContact C-N 3.26Å; H911-A913 PolarHBondContact O-N 2.62Å; A913-G916 WeakPolarHBondContact CA-O 3.38Å; A913-I918 HydrophobicContact CB-CD1 4.19Å
914	Q	84.8	Confident	83.3	Confident	142 Å²	142	59.1 Å²	59.1	66%	0.664	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-22.4	173.6	-60.3	174.4	36.2	0	0	112.4	P910 H911 F912	P910-Q914 WeakPolarHBondContact O-CG 3.48Å; P910-Q914 PolarHBondContact O-NE2 2.65Å; H911-Q914 VanDerWaalsContact O-CB 3.26Å; H911-Q914 WeakPolarHBondContact O-CB 3.26Å; H911-Q914 WeakPolarHBondContact O-CG 3.48Å; H911-Q914 PolarHBondContact O-N 3.32Å; F912-Q914 PolarHBondContact O-N 2.69Å; F912-Q914 VanDerWaalsContact O-N 3.16Å
915	Y	84.3	Confident	82.7	Confident	60 Å²	60	64.1 Å²	64.1	24%	0.235	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.8	-14.9	-177.7	-50.9	-69.5	0	0	0	113.1	H911 F912 H946	H911-Y915 AromaticContact ND1-CE2 3.98Å; H911-Y915 PolarHBondContact NE2-OH 3.19Å; H911-Y915 VanDerWaalsContact NE2-OH 3.07Å; H911-Y915 WeakPolarHBondContact O-CE2 3.49Å; F912-Y915 HydrophobicContact CD1-CD2 4.45Å; F912-Y915 PolarHBondContact O-N 2.9Å; F912-Y915 VanDerWaalsContact O-N 3.11Å; Y915-H946 HydrophobicContact CD1-CB 3.75Å; Y915-H946 HydrophobicContact CE1-CB 3.43Å; Y915-H946 VanDerWaalsContact CE1-CB 3.43Å
916	G	84.9	Confident	82.3	Confident	12 Å²	12	65.6 Å²	65.6	12%	0.124	35%	0.352	C	S	.	.	S	Bend	trans	-175.5	168.8	179	0	0	0	0	0	115.7	F912 A913	F912-G916 PolarHBondContact O-N 3.47Å; A913-G916 WeakPolarHBondContact CA-O 3.38Å
917	E	84.4	Confident	81.9	Confident	87 Å²	87	62.7 Å²	62.7	41%	0.407	35%	0.346	S	S	.	.			trans	-83	114.3	174.4	-163.2	-177.8	145.5	0	0	109.2	K935 E939	E917-K935 HydrophobicContact CB-CB 4.04Å; E917-K935 HydrophobicContact CB-CD 3.94Å; E917-K935 HydrophobicContact CG-CD 3.94Å; E917-K935 VanDerWaalsContact O-CB 3.26Å; E917-K935 WeakPolarHBondContact O-CB 3.42Å; E917-K935 PolarHBondContact O-N 3.45Å; E917-K935 WeakPolarHBondContact OE1-CD 3.18Å; E917-K935 IonicContact OE1-NZ 3.61Å; E917-K935 PolarHBondContact OE1-NZ 3.47Å; E917-K935 VanDerWaalsContact OE2-CD 3.25Å; E917-K935 WeakPolarHBondContact OE2-CD 3.19Å; E917-K935 IonicContact OE2-NZ 2.67Å; E917-K935 PolarHBondContact OE2-NZ 3.1Å; E917-E939 PolarHBondContact N-OE2 2.83Å
918	I	88	Confident	81.7	Confident	16 Å²	16	62.8 Å²	62.8	8%	0.082	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	130.3	-178.3	-62.7	172.6	0	0	0	109.9	L909 F912 A913 C921 I932 T933 F934	L909-I918 HydrophobicContact CG-CD1 4.02Å; F912-I918 HydrophobicContact CB-CD1 4.21Å; A913-I918 HydrophobicContact CB-CD1 4.19Å; I918-C921 HydrophobicContact CG2-CB 4.39Å; I918-I932 HydrophobicContact CB-CG2 4.4Å; I918-I932 HydrophobicContact CD1-CG2 3.73Å; I918-I932 HydrophobicContact CG1-CG2 3.71Å; I918-I932 HydrophobicContact CG2-CG2 3.87Å; I918-T933 CarbonylContact C-O 3.59Å; I918-T933 WeakPolarHBondContact CA-O 3.07Å; I918-F934 HydrophobicContact CG1-CD1 4.26Å; I918-F934 HydrophobicContact CG1-CE1 3.94Å; I918-F934 HydrophobicContact CG1-CZ 4.5Å
919	E	85.5	Confident	81.7	Confident	77 Å²	77	65 Å²	65	36%	0.36	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	-28.4	177.7	178.5	170.6	-161	0	0	113	K849 R893 T933	K849-E919 PolarHBondContact NZ-O 3.28Å; R893-E919 IonicContact CZ-OE2 3.28Å; R893-E919 IonicContact NH1-OE2 3.15Å; R893-E919 IonicContact NH2-OE2 2.6Å; R893-E919 PolarHBondContact NH2-OE2 3.14Å; E919-T933 PolarHBondContact N-O 2.88Å
920	D	81.1	Confident	81.8	Confident	52 Å²	52	62.3 Å²	62.3	28%	0.278	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	145	179.2	-150.3	67.9	0	0	0	109.8	K849 Q922 T933	K849-D920 IonicContact NZ-OD1 2.63Å; K849-D920 PolarHBondContact NZ-OD1 3.04Å; D920-Q922 PolarHBondContact OD2-NE2 2.95Å; D920-T933 HydrophobicContact CB-CG2 4.17Å; D920-T933 WeakPolarHBondContact CB-OG1 2.93Å; D920-T933 PolarHBondContact N-OG1 3.41Å; D920-T933 VanDerWaalsContact N-OG1 3.12Å; D920-T933 PolarHBondContact O-N 2.99Å; D920-T933 PolarHBondContact O-OG1 3.46Å
921	C	84.2	Confident	82.1	Confident	45 Å²	45	59.9 Å²	59.9	30%	0.304	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	125.8	175.3	56.1	0	0	0	0	109.6	L909 I918 V931 I932	L909-C921 HydrophobicContact CD1-CB 4.01Å; L909-C921 VanDerWaalsContact CD1-SG 3.5Å; I918-C921 HydrophobicContact CG2-CB 4.39Å; C921-V931 CarbonylContact C-O 3.47Å; C921-V931 WeakPolarHBondContact CA-O 3.33Å; C921-I932 HydrophobicContact CB-CG1 4.49Å
922	Q	81.6	Confident	82.3	Confident	117 Å²	117	58.9 Å²	58.9	55%	0.547	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	117.7	179.7	-61	173.1	27.1	0	0	107.1	D920 A930 V931	D920-Q922 PolarHBondContact OD2-NE2 2.95Å; Q922-A930 CarbonylContact O-C 3.59Å; Q922-A930 WeakPolarHBondContact O-CA 3.48Å; Q922-V931 HydrophobicContact CB-CB 4.43Å; Q922-V931 PolarHBondContact N-O 2.75Å; Q922-V931 PolarHBondContact O-N 2.92Å
923	I	82.6	Confident	82.4	Confident	70 Å²	70	60.2 Å²	60.2	36%	0.359	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	126.6	179.2	-56.4	176.7	0	0	0	106.2	F900 A930	F900-I923 HydrophobicContact CZ-CG2 4.39Å; I923-A930 HydrophobicContact CG1-CB 4.03Å
924	D	79.8	Confident	82.6	Confident	64 Å²	64	57.7 Å²	57.7	34%	0.342	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	106.3	168.3	176.9	23.5	0	0	0	108.8	S926 S927 L928 H929	D924-S926 PolarHBondContact O-N 3.34Å; D924-S926 VanDerWaalsContact O-N 3.11Å; D924-S926 WeakPolarHBondContact OD1-CB 3.37Å; D924-S926 PolarHBondContact OD1-N 3.2Å; D924-S926 PolarHBondContact OD1-OG 3.08Å; D924-S927 PolarHBondContact O-N 3Å; D924-S927 VanDerWaalsContact OD2-CB 3.3Å; D924-S927 WeakPolarHBondContact OD2-CB 3.16Å; D924-S927 PolarHBondContact OD2-OG 2.84Å; D924-L928 PolarHBondContact O-N 3.47Å; D924-H929 PolarHBondContact N-O 3.36Å
925	D	65.9	Low	82.7	Confident	117 Å²	117	55.6 Å²	55.6	63%	0.626	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-18.5	176.1	-66	-53.3	0	0	0	112.1	R905	R905-D925 IonicContact NH1-OD1 3.36Å
926	S	66.3	Low	82.7	Confident	111 Å²	111	55.5 Å²	55.5	78%	0.776	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-26.5	-176.2	-31.4	0	0	0	0	114.3	D924	D924-S926 PolarHBondContact O-N 3.34Å; D924-S926 VanDerWaalsContact O-N 3.11Å; D924-S926 WeakPolarHBondContact OD1-CB 3.37Å; D924-S926 PolarHBondContact OD1-N 3.2Å; D924-S926 PolarHBondContact OD1-OG 3.08Å
927	S	70.1	Confident	82.7	Confident	68 Å²	68	56.9 Å²	56.9	48%	0.476	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-127.4	3.9	-166.5	62.2	0	0	0	0	115.3	D924 H929	D924-S927 PolarHBondContact O-N 3Å; D924-S927 VanDerWaalsContact OD2-CB 3.3Å; D924-S927 WeakPolarHBondContact OD2-CB 3.16Å; D924-S927 PolarHBondContact OD2-OG 2.84Å; S927-H929 PolarHBondContact O-N 3.02Å; S927-H929 WeakPolarHBondContact OG-CB 3.25Å
928	L	77.1	Confident	82.8	Confident	78 Å²	78	55.9 Å²	55.9	41%	0.408	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	52	43.5	-175	-59.9	174.9	0	0	0	111.8	F900 D924	F900-L928 WeakPolarHBondContact CE1-O 3.35Å; D924-L928 PolarHBondContact O-N 3.47Å
929	H	83.4	Confident	82.9	Confident	49 Å²	49	57.3 Å²	57.3	23%	0.227	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	134.9	-178.4	176.4	114.9	0	0	0	109.5	E896 I897 D924 S927 V931	E896-H929 VanDerWaalsContact CG-CE1 3.46Å; E896-H929 WeakPolarHBondContact CG-CE1 3.4Å; E896-H929 IonicContact OE1-CE1 3.73Å; E896-H929 PolarHBondContact OE1-CE1 2.76Å; E896-H929 IonicContact OE1-ND1 2.71Å; E896-H929 PolarHBondContact OE1-ND1 3.23Å; I897-H929 WeakPolarHBondContact O-CA 3.36Å; D924-H929 PolarHBondContact N-O 3.36Å; S927-H929 PolarHBondContact O-N 3.02Å; S927-H929 WeakPolarHBondContact OG-CB 3.25Å; H929-V931 VanDerWaalsContact NE2-CG2 3.34Å; H929-V931 WeakPolarHBondContact NE2-CG2 3.3Å
930	A	86.8	Confident	83.1	Confident	1 Å²	1	53.6 Å²	53.6	1%	0.008	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	127.1	177.5	0	0	0	0	0	111.3	E896 I897 F900 L908 Q922 I923	E896-A930 CarbonylContact C-O 3.59Å; I897-A930 HydrophobicContact CB-CB 4.37Å; I897-A930 WeakPolarHBondContact CB-O 3.49Å; I897-A930 PolarHBondContact N-O 3.31Å; I897-A930 PolarHBondContact O-N 2.93Å; F900-A930 HydrophobicContact CE1-CB 3.83Å; F900-A930 HydrophobicContact CZ-CB 3.82Å; L908-A930 HydrophobicContact CD1-CB 4.33Å; Q922-A930 CarbonylContact O-C 3.59Å; Q922-A930 WeakPolarHBondContact O-CA 3.48Å; I923-A930 HydrophobicContact CG1-CB 4.03Å
931	V	91.4	Very high	83.5	Confident	14 Å²	14	54.9 Å²	54.9	9%	0.085	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	116.8	172.1	-177	0	0	0	0	109	A894 L895 C921 Q922 H929 T933 N960	A894-V931 HydrophobicContact CB-CG1 4.19Å; L895-V931 CarbonylContact O-C 3.59Å; L895-V931 WeakPolarHBondContact O-CA 3.48Å; C921-V931 CarbonylContact C-O 3.47Å; C921-V931 WeakPolarHBondContact CA-O 3.33Å; Q922-V931 HydrophobicContact CB-CB 4.43Å; Q922-V931 PolarHBondContact N-O 2.75Å; Q922-V931 PolarHBondContact O-N 2.92Å; H929-V931 VanDerWaalsContact NE2-CG2 3.34Å; H929-V931 WeakPolarHBondContact NE2-CG2 3.3Å; V931-T933 HydrophobicContact CG1-CG2 4.29Å; V931-N960 HydrophobicContact CG1-CB 4.31Å; V931-N960 WeakPolarHBondContact CG1-ND2 3.46Å; V931-N960 VanDerWaalsContact CG2-ND2 3.31Å; V931-N960 WeakPolarHBondContact CG2-ND2 3.42Å
932	I	90.4	Very high	83.6	Confident	5 Å²	5	54.2 Å²	54.2	3%	0.026	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	125.6	173.4	-61.9	-175.3	0	0	0	109	A894 L895 I897 F912 I918 C921 F934	A894-I932 WeakPolarHBondContact CA-O 3.01Å; L895-I932 PolarHBondContact N-O 2.96Å; L895-I932 PolarHBondContact O-N 3.18Å; I897-I932 HydrophobicContact CD1-CB 4.26Å; I897-I932 HydrophobicContact CD1-CD1 3.5Å; I897-I932 HydrophobicContact CD1-CG1 3.76Å; F912-I932 HydrophobicContact CB-CD1 3.78Å; F912-I932 HydrophobicContact CD2-CD1 3.85Å; F912-I932 HydrophobicContact CG-CD1 3.92Å; I918-I932 HydrophobicContact CB-CG2 4.4Å; I918-I932 HydrophobicContact CD1-CG2 3.73Å; I918-I932 HydrophobicContact CG1-CG2 3.71Å; I918-I932 HydrophobicContact CG2-CG2 3.87Å; C921-I932 HydrophobicContact CB-CG1 4.49Å; I932-F934 HydrophobicContact CB-CE2 4.26Å; I932-F934 HydrophobicContact CG2-CD2 4.31Å; I932-F934 HydrophobicContact CG2-CE1 4.33Å; I932-F934 HydrophobicContact CG2-CE2 3.65Å; I932-F934 HydrophobicContact CG2-CZ 3.66Å
933	T	90.7	Very high	84	Confident	27 Å²	27	48.7 Å²	48.7	17%	0.166	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	136	177.9	81.4	0	0	0	0	110.9	R893 A894 I918 E919 D920 V931	R893-T933 WeakPolarHBondContact O-CA 3.11Å; A894-T933 HydrophobicContact CB-CG2 3.76Å; I918-T933 CarbonylContact C-O 3.59Å; I918-T933 WeakPolarHBondContact CA-O 3.07Å; E919-T933 PolarHBondContact N-O 2.88Å; D920-T933 HydrophobicContact CB-CG2 4.17Å; D920-T933 WeakPolarHBondContact CB-OG1 2.93Å; D920-T933 PolarHBondContact N-OG1 3.41Å; D920-T933 VanDerWaalsContact N-OG1 3.12Å; D920-T933 PolarHBondContact O-N 2.99Å; D920-T933 PolarHBondContact O-OG1 3.46Å; V931-T933 HydrophobicContact CG1-CG2 4.29Å
934	F	90.8	Very high	84.3	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	143.9	-174.4	-66.2	-92.2	0	0	0	112.4	R893 L895 F912 I918 I932 T936 E939 A940 A943	R893-F934 VanDerWaalsContact CZ-O 3.31Å; R893-F934 PolarHBondContact NE-O 3.02Å; R893-F934 PolarHBondContact NH2-O 2.81Å; R893-F934 PolarHBondContact O-N 3.29Å; L895-F934 HydrophobicContact CD1-CE2 3.86Å; L895-F934 HydrophobicContact CG-CE2 4.18Å; F912-F934 HydrophobicContact CB-CZ 4.07Å; F912-F934 HydrophobicContact CD1-CZ 4.04Å; F912-F934 HydrophobicContact CG-CZ 4.46Å; I918-F934 HydrophobicContact CG1-CD1 4.26Å; I918-F934 HydrophobicContact CG1-CE1 3.94Å; I918-F934 HydrophobicContact CG1-CZ 4.5Å; I932-F934 HydrophobicContact CB-CE2 4.26Å; I932-F934 HydrophobicContact CG2-CD2 4.31Å; I932-F934 HydrophobicContact CG2-CE1 4.33Å; I932-F934 HydrophobicContact CG2-CE2 3.65Å; I932-F934 HydrophobicContact CG2-CZ 3.66Å; F934-T936 PolarHBondContact O-N 3.11Å; F934-E939 HydrophobicContact CB-CB 4.17Å; F934-E939 HydrophobicContact CD1-CB 4.35Å; F934-A940 HydrophobicContact CB-CB 4.04Å; F934-A940 HydrophobicContact CD2-CB 3.84Å; F934-A940 HydrophobicContact CG-CB 4.18Å; F934-A943 HydrophobicContact CD2-CB 4.49Å; F934-A943 HydrophobicContact CE1-CB 3.93Å; F934-A943 HydrophobicContact CE2-CB 3.74Å; F934-A943 HydrophobicContact CZ-CB 3.4Å; F934-A943 VanDerWaalsContact CZ-CB 3.4Å
935	K	87.2	Confident	84.6	Confident	98 Å²	98	48.4 Å²	48.4	43%	0.426	28%	0.283	S	S	.	.	S	Bend	trans	-58.5	-29.4	-177.9	-171	173	-178.4	176.7	0	114.2	R893 E917	R893-K935 VanDerWaalsContact NH2-CA 3.31Å; R893-K935 PolarHBondContact NH2-O 3.16Å; R893-K935 VanDerWaalsContact NH2-O 3.16Å; E917-K935 HydrophobicContact CB-CB 4.04Å; E917-K935 HydrophobicContact CB-CD 3.94Å; E917-K935 HydrophobicContact CG-CD 3.94Å; E917-K935 VanDerWaalsContact O-CB 3.26Å; E917-K935 WeakPolarHBondContact O-CB 3.42Å; E917-K935 PolarHBondContact O-N 3.45Å; E917-K935 WeakPolarHBondContact OE1-CD 3.18Å; E917-K935 IonicContact OE1-NZ 3.61Å; E917-K935 PolarHBondContact OE1-NZ 3.47Å; E917-K935 VanDerWaalsContact OE2-CD 3.25Å; E917-K935 WeakPolarHBondContact OE2-CD 3.19Å; E917-K935 IonicContact OE2-NZ 2.67Å; E917-K935 PolarHBondContact OE2-NZ 3.1Å
936	T	85.3	Confident	85.4	Confident	57 Å²	57	48.2 Å²	48.2	35%	0.35	28%	0.279	S	S	.	.	S	Bend	trans	-130.4	158.2	166.1	77.5	0	0	0	0	111.8	F934 E939 A940	F934-T936 PolarHBondContact O-N 3.11Å; T936-E939 WeakPolarHBondContact CB-OE1 3.44Å; T936-E939 WeakPolarHBondContact CG2-OE1 3.45Å; T936-E939 WeakPolarHBondContact O-CB 3.36Å; T936-E939 PolarHBondContact O-N 2.87Å; T936-E939 WeakPolarHBondContact OG1-CG 3.25Å; T936-E939 PolarHBondContact OG1-N 3.03Å; T936-E939 PolarHBondContact OG1-OE1 3.33Å; T936-A940 PolarHBondContact O-N 3.13Å
937	R	85.1	Confident	86.2	Confident	41 Å²	41	43 Å²	43	16%	0.155	24%	0.242	C	C	.	.	H	α-helix	trans	-72.3	-28.4	177	-173.1	164.6	152.1	-78.8	-16.7	112.9	D889 P892 R893 E939 A940 E941	D889-R937 IonicContact OD1-NH1 2.7Å; D889-R937 WeakPolarHBondContact OD2-CD 3.4Å; D889-R937 IonicContact OD2-CZ 2.65Å; D889-R937 IonicContact OD2-NE 3.15Å; D889-R937 IonicContact OD2-NH1 2.77Å; D889-R937 PolarHBondContact OD2-NH1 3.33Å; P892-R937 WeakPolarHBondContact O-CD 3.11Å; R893-R937 HydrophobicContact CG-CB 3.97Å; R937-E939 VanDerWaalsContact C-N 3.29Å; R937-E939 PolarHBondContact O-N 3.46Å; R937-A940 CarbonylContact O-C 3.58Å; R937-A940 PolarHBondContact O-N 3.33Å; R937-E941 HydrophobicContact CG-CG 4.44Å; R937-E941 IonicContact CZ-OE1 3.75Å; R937-E941 VanDerWaalsContact CZ-OE1 3.22Å; R937-E941 IonicContact NH1-OE1 3.1Å; R937-E941 IonicContact NH2-OE1 3.03Å; R937-E941 PolarHBondContact NH2-OE1 3.06Å; R937-E941 WeakPolarHBondContact O-CG 3.32Å; R937-E941 PolarHBondContact O-N 2.79Å
938	A	85.4	Confident	86.9	Confident	67 Å²	67	41.1 Å²	41.1	55%	0.554	23%	0.23	S	C	*	.	H	α-helix	trans	-65.6	-34.9	174.3	0	0	0	0	0	112	E941 A942	A938-E941 PolarHBondContact O-N 3.05Å; A938-A942 WeakPolarHBondContact O-CB 3.35Å; A938-A942 PolarHBondContact O-N 3.45Å
939	E	89.9	Confident	87.1	Confident	45 Å²	45	45.4 Å²	45.4	21%	0.21	24%	0.241	C	C	.	.	H	α-helix	trans	-66.5	-44	170.6	-76.5	157.6	-118.5	0	0	111.8	E917 F934 T936 R937 E941 A942 A943	E917-E939 PolarHBondContact N-OE2 2.83Å; F934-E939 HydrophobicContact CB-CB 4.17Å; F934-E939 HydrophobicContact CD1-CB 4.35Å; T936-E939 WeakPolarHBondContact CB-OE1 3.44Å; T936-E939 WeakPolarHBondContact CG2-OE1 3.45Å; T936-E939 WeakPolarHBondContact O-CB 3.36Å; T936-E939 PolarHBondContact O-N 2.87Å; T936-E939 WeakPolarHBondContact OG1-CG 3.25Å; T936-E939 PolarHBondContact OG1-N 3.03Å; T936-E939 PolarHBondContact OG1-OE1 3.33Å; R937-E939 VanDerWaalsContact C-N 3.29Å; R937-E939 PolarHBondContact O-N 3.46Å; E939-E941 VanDerWaalsContact C-N 3.33Å; E939-E941 PolarHBondContact O-N 3.36Å; E939-A942 PolarHBondContact O-N 2.79Å; E939-A943 WeakPolarHBondContact O-CB 3.35Å; E939-A943 PolarHBondContact O-N 3.37Å
940	A	89.3	Confident	86.9	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-61.8	-37.8	172	0	0	0	0	0	112.5	F934 T936 R937 A943 A944 W959	F934-A940 HydrophobicContact CB-CB 4.04Å; F934-A940 HydrophobicContact CD2-CB 3.84Å; F934-A940 HydrophobicContact CG-CB 4.18Å; T936-A940 PolarHBondContact O-N 3.13Å; R937-A940 CarbonylContact O-C 3.58Å; R937-A940 PolarHBondContact O-N 3.33Å; A940-A943 PolarHBondContact O-N 3.12Å; A940-A944 WeakPolarHBondContact O-CB 3.32Å; A940-A944 PolarHBondContact O-N 3.32Å; A940-W959 HydrophobicContact CB-CH2 3.64Å; A940-W959 HydrophobicContact CB-CZ3 3.59Å
941	E	89.6	Confident	86.3	Confident	78 Å²	78	49.3 Å²	49.3	36%	0.364	26%	0.257	S	S	.	.	H	α-helix	trans	-67.9	-39.7	176.5	-74.9	175.3	147.5	0	0	111.4	R937 A938 E939 A944 V945 W959	R937-E941 HydrophobicContact CG-CG 4.44Å; R937-E941 IonicContact CZ-OE1 3.75Å; R937-E941 VanDerWaalsContact CZ-OE1 3.22Å; R937-E941 IonicContact NH1-OE1 3.1Å; R937-E941 IonicContact NH2-OE1 3.03Å; R937-E941 PolarHBondContact NH2-OE1 3.06Å; R937-E941 WeakPolarHBondContact O-CG 3.32Å; R937-E941 PolarHBondContact O-N 2.79Å; A938-E941 PolarHBondContact O-N 3.05Å; E939-E941 VanDerWaalsContact C-N 3.33Å; E939-E941 PolarHBondContact O-N 3.36Å; E941-A944 PolarHBondContact O-N 3.13Å; E941-V945 WeakPolarHBondContact O-CG2 3.26Å; E941-V945 PolarHBondContact O-N 3.18Å; E941-W959 HydrophobicContact CG-CH2 3.82Å; E941-W959 HydrophobicContact CG-CZ2 3.96Å
942	A	87.5	Confident	85.4	Confident	32 Å²	32	51.7 Å²	51.7	26%	0.264	29%	0.285	S	S	.	.	H	α-helix	trans	-64.1	-42.4	172.6	0	0	0	0	0	111.9	A938 E939 V945 H946	A938-A942 WeakPolarHBondContact O-CB 3.35Å; A938-A942 PolarHBondContact O-N 3.45Å; E939-A942 PolarHBondContact O-N 2.79Å; A942-V945 PolarHBondContact O-N 3.48Å; A942-H946 WeakPolarHBondContact O-CB 3.3Å; A942-H946 PolarHBondContact O-CD2 3.09Å; A942-H946 PolarHBondContact O-N 3.1Å
943	A	90.3	Very high	84.7	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-63.2	-39.4	174.1	0	0	0	0	0	112.4	L895 F912 F934 E939 A940 G947	L895-A943 HydrophobicContact CD1-CB 3.62Å; F912-A943 HydrophobicContact CD1-CB 4.03Å; F912-A943 HydrophobicContact CE1-CB 4.37Å; F934-A943 HydrophobicContact CD2-CB 4.49Å; F934-A943 HydrophobicContact CE1-CB 3.93Å; F934-A943 HydrophobicContact CE2-CB 3.74Å; F934-A943 HydrophobicContact CZ-CB 3.4Å; F934-A943 VanDerWaalsContact CZ-CB 3.4Å; E939-A943 WeakPolarHBondContact O-CB 3.35Å; E939-A943 PolarHBondContact O-N 3.37Å; A940-A943 PolarHBondContact O-N 3.12Å; A943-G947 WeakPolarHBondContact O-CA 3.41Å; A943-G947 PolarHBondContact O-N 3.44Å
944	A	87.4	Confident	84.3	Confident	23 Å²	23	59.9 Å²	59.9	19%	0.19	33%	0.325	C	S	.	.	H	α-helix	trans	-66	-39	177	0	0	0	0	0	112.7	L895 A940 E941 W959	L895-A944 HydrophobicContact CD1-CB 4.11Å; L895-A944 HydrophobicContact CD2-CB 3.99Å; A940-A944 WeakPolarHBondContact O-CB 3.32Å; A940-A944 PolarHBondContact O-N 3.32Å; E941-A944 PolarHBondContact O-N 3.13Å; A944-W959 HydrophobicContact CB-CH2 4.48Å; A944-W959 HydrophobicContact CB-CZ2 3.76Å
945	V	86.9	Confident	84.2	Confident	106 Å²	106	60.4 Å²	60.4	64%	0.642	33%	0.327	S	S	*	.	H	α-helix	trans	-84.2	-33.2	-176.3	173.5	0	0	0	0	112.8	E941 A942	E941-V945 WeakPolarHBondContact O-CG2 3.26Å; E941-V945 PolarHBondContact O-N 3.18Å; A942-V945 PolarHBondContact O-N 3.48Å
946	H	81.9	Confident	84.1	Confident	113 Å²	113	62.6 Å²	62.6	52%	0.523	34%	0.337	S	S	.	.	H	α-helix	trans	-110.7	-31.2	-174.4	-60.3	-53.8	0	0	0	114.1	Y915 A942 A948	Y915-H946 HydrophobicContact CD1-CB 3.75Å; Y915-H946 HydrophobicContact CE1-CB 3.43Å; Y915-H946 VanDerWaalsContact CE1-CB 3.43Å; A942-H946 WeakPolarHBondContact O-CB 3.3Å; A942-H946 PolarHBondContact O-CD2 3.09Å; A942-H946 PolarHBondContact O-N 3.1Å; H946-A948 PolarHBondContact O-N 2.88Å
947	G	83.9	Confident	84.4	Confident	0 Å²	0	62.1 Å²	62.1	0%	0	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-1.1	177.4	0	0	0	0	0	114.3	H911 F912 A943 R949	H911-G947 WeakPolarHBondContact CE1-CA 3.39Å; H911-G947 PolarHBondContact CE1-O 3.3Å; F912-G947 VanDerWaalsContact CZ-O 3.3Å; F912-G947 WeakPolarHBondContact CZ-O 3.37Å; A943-G947 WeakPolarHBondContact O-CA 3.41Å; A943-G947 PolarHBondContact O-N 3.44Å; G947-R949 PolarHBondContact O-N 2.92Å
948	A	84.1	Confident	84.6	Confident	29 Å²	29	62 Å²	62	24%	0.24	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-27.2	172.7	0	0	0	0	0	112.8	H946 D954 L955 L957	H946-A948 PolarHBondContact O-N 2.88Å; A948-D954 CarbonylContact O-C 3.45Å; A948-D954 VanDerWaalsContact O-CA 3.3Å; A948-D954 WeakPolarHBondContact O-CA 3.48Å; A948-L955 PolarHBondContact O-N 3.19Å; A948-L957 VanDerWaalsContact CA-CD1 3.49Å; A948-L957 HydrophobicContact CB-CD1 3.94Å
949	R	81.3	Confident	84.8	Confident	169 Å²	169	63.3 Å²	63.3	64%	0.638	33%	0.331	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.6	107.8	-175.4	-54.8	-163.8	67.1	-142.5	-4	110.9	H911 G947 D954	H911-R949 PolarHBondContact NE2-O 2.82Å; G947-R949 PolarHBondContact O-N 2.92Å; R949-D954 WeakPolarHBondContact CG-OD1 3.32Å; R949-D954 IonicContact NE-OD1 3.07Å; R949-D954 PolarHBondContact NE-OD1 2.94Å
950	F	80.7	Confident	84.6	Confident	4 Å²	4	63 Å²	63	2%	0.018	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	120.3	-172.5	176.1	-92.4	0	0	0	110.7	D904 D907 L908 H911 G952 Q953 L955	D904-F950 HydrophobicContact CB-CE1 3.56Å; D904-F950 HydrophobicContact CB-CZ 3.96Å; D904-F950 WeakPolarHBondContact OD1-CE1 3.27Å; D907-F950 HydrophobicContact CB-CE2 4.11Å; D907-F950 HydrophobicContact CB-CZ 3.7Å; L908-F950 HydrophobicContact CD2-CD2 4.19Å; L908-F950 HydrophobicContact CD2-CE1 4.47Å; L908-F950 HydrophobicContact CD2-CE2 4.06Å; L908-F950 HydrophobicContact CD2-CG 4.43Å; L908-F950 HydrophobicContact CD2-CZ 4.18Å; H911-F950 HydrophobicContact CB-CD2 3.75Å; H911-F950 HydrophobicContact CB-CE2 3.71Å; H911-F950 AromaticContact CD2-CD2 3.86Å; H911-F950 AromaticContact CG-CD2 3.52Å; H911-F950 AromaticContact ND1-CD2 3.55Å; F950-G952 PolarHBondContact O-N 2.74Å; F950-Q953 PolarHBondContact N-O 3.09Å; F950-Q953 PolarHBondContact O-N 2.93Å; F950-Q953 VanDerWaalsContact O-O 3.05Å; F950-L955 HydrophobicContact CB-CD1 3.5Å; F950-L955 VanDerWaalsContact CB-CD1 3.5Å; F950-L955 HydrophobicContact CB-CD2 4.38Å; F950-L955 HydrophobicContact CB-CG 3.73Å; F950-L955 HydrophobicContact CD2-CD1 4.47Å; F950-L955 HydrophobicContact CG-CD1 3.96Å; F950-L955 HydrophobicContact CG-CG 4.44Å
951	K	73.5	Confident	84.2	Confident	127 Å²	127	71 Å²	71	55%	0.552	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.4	8.9	-176.6	-62.3	-178	-175.3	172.3	0	116.6	D904 D907	D904-K951 WeakPolarHBondContact OD1-CD 3.5Å; D904-K951 WeakPolarHBondContact OD1-CE 3.5Å; D904-K951 IonicContact OD1-NZ 3.56Å; D904-K951 PolarHBondContact OD1-NZ 3.04Å; D907-K951 WeakPolarHBondContact OD2-CE 3.23Å; D907-K951 IonicContact OD2-NZ 2.66Å; D907-K951 PolarHBondContact OD2-NZ 3.05Å
952	G	72.9	Confident	82.9	Confident	64 Å²	64	72 Å²	72	66%	0.66	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	101.5	-2.8	-173.9	0	0	0	0	0	114.8	F950	F950-G952 PolarHBondContact O-N 2.74Å
953	Q	75.8	Confident	81.1	Confident	94 Å²	94	76.8 Å²	76.8	44%	0.439	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	153	163	-65.8	177.6	-16.7	0	0	109.9	F950	F950-Q953 PolarHBondContact N-O 3.09Å; F950-Q953 PolarHBondContact O-N 2.93Å; F950-Q953 VanDerWaalsContact O-O 3.05Å
954	D	82.1	Confident	78.6	Confident	111 Å²	111	82.1 Å²	82.1	59%	0.594	44%	0.437	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.1	111.5	175.5	-66.2	-25.1	0	0	0	109.3	A948 R949	A948-D954 CarbonylContact O-C 3.45Å; A948-D954 VanDerWaalsContact O-CA 3.3Å; A948-D954 WeakPolarHBondContact O-CA 3.48Å; R949-D954 WeakPolarHBondContact CG-OD1 3.32Å; R949-D954 IonicContact NE-OD1 3.07Å; R949-D954 PolarHBondContact NE-OD1 2.94Å
955	L	87.7	Confident	75.9	Confident	11 Å²	11	88.3 Å²	88.3	6%	0.058	47%	0.467	C	S	.	.			trans	-74.5	141.8	-178.6	-64	176.6	0	0	0	111.4	I897 F900 L908 F912 A948 F950 L957	I897-L955 HydrophobicContact CG2-CB 4.39Å; I897-L955 HydrophobicContact CG2-CD1 3.97Å; I897-L955 HydrophobicContact CG2-CD2 4.39Å; I897-L955 HydrophobicContact CG2-CG 4.5Å; F900-L955 HydrophobicContact CB-CD2 3.84Å; L908-L955 HydrophobicContact CD2-CD1 3.72Å; F912-L955 HydrophobicContact CE2-CD1 3.77Å; F912-L955 HydrophobicContact CZ-CD1 3.96Å; A948-L955 PolarHBondContact O-N 3.19Å; F950-L955 HydrophobicContact CB-CD1 3.5Å; F950-L955 VanDerWaalsContact CB-CD1 3.5Å; F950-L955 HydrophobicContact CB-CD2 4.38Å; F950-L955 HydrophobicContact CB-CG 3.73Å; F950-L955 HydrophobicContact CD2-CD1 4.47Å; F950-L955 HydrophobicContact CG-CD1 3.96Å; F950-L955 HydrophobicContact CG-CG 4.44Å; L955-L957 PolarHBondContact O-N 3.18Å
956	K	86.1	Confident	73.3	Confident	144 Å²	144	90.3 Å²	90.3	63%	0.626	47%	0.472	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.5	97.7	173.5	-73.4	179.7	-178.5	177.2	0	109.7	S898 A899	S898-K956 PolarHBondContact N-O 3.46Å; S898-K956 PolarHBondContact O-N 3.43Å; S898-K956 VanDerWaalsContact OG-CB 3.24Å; S898-K956 WeakPolarHBondContact OG-CB 3.46Å; S898-K956 PolarHBondContact OG-O 3.48Å; A899-K956 HydrophobicContact CB-CD 4.25Å; A899-K956 HydrophobicContact CB-CG 4.35Å
957	L	90.4	Very high	70.7	Confident	46 Å²	46	89.5 Å²	89.5	24%	0.241	48%	0.48	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	126.7	176.8	-78.2	164.6	0	0	0	112	L895 E896 I897 F912 A948 L955	L895-L957 HydrophobicContact CB-CD2 4.15Å; L895-L957 HydrophobicContact CD1-CD2 4.11Å; E896-L957 CarbonylContact O-C 3.51Å; E896-L957 WeakPolarHBondContact O-CA 3.37Å; I897-L957 HydrophobicContact CB-CD2 4.49Å; I897-L957 HydrophobicContact CG1-CD2 3.5Å; I897-L957 VanDerWaalsContact CG1-CD2 3.5Å; F912-L957 HydrophobicContact CE1-CD1 4.36Å; F912-L957 HydrophobicContact CE1-CD2 4.07Å; F912-L957 HydrophobicContact CZ-CD1 4.33Å; F912-L957 HydrophobicContact CZ-CD2 3.94Å; A948-L957 VanDerWaalsContact CA-CD1 3.49Å; A948-L957 HydrophobicContact CB-CD1 3.94Å; L955-L957 PolarHBondContact O-N 3.18Å
958	A	89.2	Confident	68.1	Low	40 Å²	40	93.9 Å²	93.9	33%	0.331	52%	0.516	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	158	171	0	0	0	0	0	110.9	L895 E896 N960	L895-A958 CarbonylContact C-O 3.56Å; L895-A958 WeakPolarHBondContact CA-O 3.29Å; E896-A958 HydrophobicContact CB-CB 4.12Å; E896-A958 HydrophobicContact CG-CB 4.11Å; E896-A958 PolarHBondContact N-O 2.77Å; E896-A958 PolarHBondContact O-N 2.89Å; A958-N960 PolarHBondContact O-N 3.23Å
959	W	91.1	Very high	65.6	Low	93 Å²	93	98.9 Å²	98.9	35%	0.352	54%	0.543	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	106.9	173	-74	95.9	0	0	0	109.4	P892 L895 A940 E941 A944 K961	P892-W959 HydrophobicContact CB-CE3 4.12Å; P892-W959 HydrophobicContact CG-CB 4.09Å; P892-W959 HydrophobicContact CG-CD2 4.39Å; P892-W959 HydrophobicContact CG-CE3 3.95Å; P892-W959 HydrophobicContact CG-CG 4.49Å; P892-W959 WeakPolarHBondContact O-CZ3 3.3Å; L895-W959 HydrophobicContact CD2-CD2 3.68Å; L895-W959 HydrophobicContact CD2-CE3 3.56Å; L895-W959 HydrophobicContact CD2-CG 4.37Å; L895-W959 HydrophobicContact CD2-CH2 3.97Å; L895-W959 HydrophobicContact CD2-CZ2 4.05Å; L895-W959 HydrophobicContact CD2-CZ3 3.72Å; A940-W959 HydrophobicContact CB-CH2 3.64Å; A940-W959 HydrophobicContact CB-CZ3 3.59Å; E941-W959 HydrophobicContact CG-CH2 3.82Å; E941-W959 HydrophobicContact CG-CZ2 3.96Å; A944-W959 HydrophobicContact CB-CH2 4.48Å; A944-W959 HydrophobicContact CB-CZ2 3.76Å; W959-K961 PolarHBondContact O-N 3.46Å; W959-K961 VanDerWaalsContact O-N 3.14Å
960	N	85.7	Confident	63.3	Low	38 Å²	38	99.3 Å²	99.3	20%	0.203	55%	0.552	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-65.5	117.3	176.5	-179.5	-26.2	0	0	0	109	P892 A894 E896 V931 A958	P892-N960 WeakPolarHBondContact CB-O 3.25Å; A894-N960 HydrophobicContact CB-CB 3.89Å; A894-N960 PolarHBondContact O-N 3.43Å; E896-N960 HydrophobicContact CB-CB 4.22Å; V931-N960 HydrophobicContact CG1-CB 4.31Å; V931-N960 WeakPolarHBondContact CG1-ND2 3.46Å; V931-N960 VanDerWaalsContact CG2-ND2 3.31Å; V931-N960 WeakPolarHBondContact CG2-ND2 3.42Å; A958-N960 PolarHBondContact O-N 3.23Å
961	K	80.3	Confident	61.2	Low	169 Å²	169	103.9 Å²	103.9	74%	0.735	58%	0.581	S	S	*	*			trans	-92.6	110.5	169.8	-60.7	172.9	-171.8	170.2	0	106.8	W959 V963	W959-K961 PolarHBondContact O-N 3.46Å; W959-K961 VanDerWaalsContact O-N 3.14Å; K961-V963 PolarHBondContact O-N 3.09Å; K961-V963 VanDerWaalsContact O-N 3.07Å
962	P	63.2	Low	59.1	Low	99 Å²	99	107.3 Å²	107.3	64%	0.643	60%	0.599	S	S	*	*			trans	-62.5	117.8	179.5	25.4	-33.4	0	0	0	109.4	T964	P962-T964 PolarHBondContact O-N 3.27Å
963	V	48	Very low	57	Low	132 Å²	132	112.3 Å²	112.3	80%	0.8	61%	0.605	S	S	*	*			trans	-64.3	108.7	171.6	178.6	0	0	0	0	107.3	K961 N965	K961-V963 PolarHBondContact O-N 3.09Å; K961-V963 VanDerWaalsContact O-N 3.07Å; V963-N965 VanDerWaalsContact C-N 3.29Å; V963-N965 PolarHBondContact O-N 2.96Å
964	T	38.7	Very low	54.6	Low	113 Å²	113	113.9 Å²	113.9	69%	0.693	62%	0.62	S	S	*	*			trans	-70.5	89.5	174.7	47.9	0	0	0	0	108.5	P962 I966	P962-T964 PolarHBondContact O-N 3.27Å; T964-I966 PolarHBondContact O-N 3.26Å
965	N	31.4	Very low	52	Low	153 Å²	153	116.9 Å²	116.9	82%	0.818	63%	0.631	S	S	*	*			trans	-77.3	86.8	-179.1	-156.8	1.9	0	0	0	109.3	V963 S967	V963-N965 VanDerWaalsContact C-N 3.29Å; V963-N965 PolarHBondContact O-N 2.96Å; N965-S967 PolarHBondContact O-N 3.06Å
966	I	32.4	Very low	49.8	Very low	147 Å²	147	121.3 Å²	121.3	75%	0.754	66%	0.66	S	S	*	*			trans	-82.3	94.2	-175.5	-52.1	175.5	0	0	0	109.2	T964	T964-I966 PolarHBondContact O-N 3.26Å
967	S	27.3	Very low	46.8	Very low	97 Å²	97	121.8 Å²	121.8	68%	0.678	67%	0.67	S	S	*	*			trans	41.3	105	165.1	-154.8	0	0	0	0	117.7	N965	N965-S967 PolarHBondContact O-N 3.06Å
968	A	28.1	Very low	43.6	Very low	92 Å²	92	128.1 Å²	128.1	76%	0.76	70%	0.698	S	S	*	*			trans	-60.5	142.6	155.4	0	0	0	0	0	110.8
969	V	32.8	Very low	40.8	Very low	133 Å²	133	135.2 Å²	135.2	81%	0.806	72%	0.724	S	S	*	*			trans	-138.5	111.8	160.7	175.3	0	0	0	0	106.9
970	E	32.4	Very low	37.8	Very low	179 Å²	179	138.6 Å²	138.6	84%	0.836	74%	0.744	S	S	*	*			trans	-100.1	155.1	161.5	-69.1	175	136.4	0	0	107.4
971	T	36.6	Very low	34.7	Very low	100 Å²	100	145 Å²	145	61%	0.613	77%	0.77	S	S	*	*			cis	-170.7	142.6	-23.4	-70.8	0	0	0	0	105	E973	T971-E973 HydrophobicContact CG2-CG 4.21Å
972	E	29.1	Very low	32	Very low	199 Å²	199	143.2 Å²	143.2	93%	0.93	77%	0.765	S	S	*	*			trans	-141.3	157.4	153.4	-76.4	-161.2	136.5	0	0	109.5
973	E	28.9	Very low	30.1	Very low	168 Å²	168	145.8 Å²	145.8	79%	0.785	77%	0.768	S	S	*	*			trans	-126.4	-171.9	-166.1	-59.1	-179	148.1	0	0	111.6	T971	T971-E973 HydrophobicContact CG2-CG 4.21Å
974	V	24.8	Very low	29	Very low	127 Å²	127	147.7 Å²	147.7	77%	0.77	77%	0.768	S	S	*	*			trans	79	127	170.2	-174.6	0	0	0	0	115.5
975	E	26.7	Very low	28.4	Very low	175 Å²	175	147.5 Å²	147.5	82%	0.818	77%	0.771	S	S	*	*			cis	-153.5	167.3	-16.8	-114.4	-175	137.8	0	0	108.5
976	P	43.1	Very low	28.1	Very low	104 Å²	104	148 Å²	148	68%	0.675	77%	0.773	S	S	*	*			trans	-92.4	167.1	175.1	39	-33.2	0	0	0	113
977	D	22.2	Very low	28	Very low	153 Å²	153	146.5 Å²	146.5	82%	0.818	77%	0.771	S	S	*	*			trans	169.7	139.6	160.7	-95.3	-6.9	0	0	0	108.1
978	E	24.5	Very low	28	Very low	180 Å²	180	148.9 Å²	148.9	84%	0.841	78%	0.776	S	S	*	*			cis	-141	178.7	-14.5	-76.9	-163.6	118	0	0	109
979	E	30.5	Very low	28	Very low	188 Å²	188	151.1 Å²	151.1	88%	0.879	78%	0.775	S	S	*	*			trans	-84.8	149.8	172.7	-53.7	176.4	115.7	0	0	112.5
980	E	26.2	Very low	27.9	Very low	165 Å²	165	149.6 Å²	149.6	77%	0.771	77%	0.77	S	S	*	*			trans	-167.8	115.2	131.9	-120.8	-171.9	160.7	0	0	113.5
981	F	21.5	Very low	27.9	Very low	172 Å²	172	147.9 Å²	147.9	75%	0.754	77%	0.766	S	S	*	*			trans	60	160.4	133.5	-75.2	-140.3	0	0	0	118.8
982	Q	22.9	Very low	27.7	Very low	132 Å²	132	149.4 Å²	149.4	62%	0.617	77%	0.77	S	S	*	*			cis	-153.3	160	1.6	-139.1	169.6	-28.7	0	0	112.4
983	E	23.9	Very low	27.9	Very low	152 Å²	152	147.5 Å²	147.5	71%	0.71	76%	0.761	S	S	*	*			trans	39.3	122.7	145.7	-79.7	153.6	-138.5	0	0	124.9
984	E	24.4	Very low	27.9	Very low	173 Å²	173	145 Å²	145	81%	0.808	75%	0.753	S	S	*	*				48.1	109.9	127.1	-60.3	-153.5	158.5	0	0	124.1
985	S	26.2	Very low	28.3	Very low	108 Å²	108	145.6 Å²	145.6	76%	0.755	75%	0.752	S	S	*	*				89.8	171.4	118.7	84.7	0	0	0	0	122.5
986	L	26.1	Very low	28.7	Very low	164 Å²	164	141.5 Å²	141.5	86%	0.859	74%	0.736	S	S	*	*			trans	85.5	156.9	173.2	-125.8	77.2	0	0	0	119.4
987	V	29.6	Very low	28.3	Very low	116 Å²	116	140.5 Å²	140.5	70%	0.703	72%	0.722	S	S	*	*			trans	-119.5	175.3	-152.6	-62.6	0	0	0	0	113.1
988	D	27.8	Very low	28.8	Very low	146 Å²	146	141.7 Å²	141.7	78%	0.781	72%	0.723	S	S	*	*			trans	56.8	121.2	166.8	-65.9	1.5	0	0	0	116.7
989	D	28.8	Very low	29.4	Very low	140 Å²	140	142.1 Å²	142.1	75%	0.749	73%	0.725	S	S	*	*				65.6	102.3	61.9	-169.6	45	0	0	0	114.4
990	S	30.5	Very low	29.6	Very low	100 Å²	100	141.5 Å²	141.5	70%	0.699	72%	0.722	S	S	*	*			trans	-171.9	106.9	145.4	-89.1	0	0	0	0	113
991	L	32.3	Very low	29.9	Very low	144 Å²	144	140.3 Å²	140.3	75%	0.754	72%	0.721	S	S	*	*				72.4	137	120.8	-82.2	168.2	0	0	0	123
992	L	32	Very low	30.3	Very low	131 Å²	131	139.1 Å²	139.1	69%	0.686	72%	0.722	S	S	*	*			trans	76.7	144.1	159.9	-57.4	173.8	0	0	0	117.4
993	Q	32.6	Very low	30.9	Very low	160 Å²	160	140.5 Å²	140.5	75%	0.748	73%	0.728	S	S	*	*			cis	-146.2	170.4	4.8	-148.5	142.1	6.4	0	0	114.5
994	D	29.8	Very low	31.5	Very low	115 Å²	115	137.6 Å²	137.6	62%	0.615	73%	0.725	S	S	*	*			trans	-67.4	176.6	176.3	-33.9	-92.6	0	0	0	113.2
995	D	33.8	Very low	32.1	Very low	140 Å²	140	141.5 Å²	141.5	75%	0.749	73%	0.732	S	S	*	*			cis	-110.2	-115.4	1	-68.3	-90.8	0	0	0	112
996	D	33.4	Very low	32.6	Very low	89 Å²	89	140.8 Å²	140.8	48%	0.476	73%	0.727	S	S	.	*			cis	-156.7	-178.4	-4.5	-145.4	-29.6	0	0	0	110.7	H413	H413-D996 IonicContact CD2-OD1 3.46Å; H413-D996 PolarHBondContact CD2-OD1 2.92Å; H413-D996 IonicContact CD2-OD2 3.66Å; H413-D996 PolarHBondContact CD2-OD2 2.65Å; H413-D996 VanDerWaalsContact CE1-CG 3.49Å; H413-D996 IonicContact CE1-OD1 2.82Å; H413-D996 PolarHBondContact CE1-OD1 3.49Å; H413-D996 IonicContact CE1-OD2 3.58Å; H413-D996 VanDerWaalsContact CG-CG 3.4Å; H413-D996 IonicContact CG-OD1 3.88Å; H413-D996 IonicContact CG-OD2 3.05Å; H413-D996 IonicContact ND1-OD1 2.94Å; H413-D996 PolarHBondContact ND1-OD1 3.38Å; H413-D996 VanDerWaalsContact ND1-OD1 3.1Å; H413-D996 IonicContact NE2-OD1 2.95Å; H413-D996 IonicContact NE2-OD2 3.77Å; H413-D996 PolarHBondContact NE2-OD2 2.93Å
997	E	35.7	Very low	33.3	Very low	83 Å²	83	145 Å²	145	39%	0.388	73%	0.732	S	S	.	*			trans	-90.8	153.5	-151.2	-59.8	166.2	152.6	0	0	120.4	H413 Q414	H413-E997 WeakPolarHBondContact CB-OE2 3.2Å; H413-E997 PolarHBondContact CE1-N 3.06Å; H413-E997 VanDerWaalsContact CE1-N 3.33Å; H413-E997 PolarHBondContact ND1-N 3.36Å; H413-E997 IonicContact ND1-OE2 2.65Å; Q414-E997 WeakPolarHBondContact CA-OE2 3.29Å; Q414-E997 PolarHBondContact N-OE2 2.85Å
998	E	33.4	Very low	33.7	Very low	178 Å²	178	150.9 Å²	150.9	83%	0.832	74%	0.741	S	S	*	*			trans	55.7	130.2	140.7	-71.7	-179.3	-171.6	0	0	125.3
999	E	36.8	Very low	34.1	Very low	189 Å²	189	159.3 Å²	159.3	88%	0.883	76%	0.762	S	S	*	*				-157.9	150.3	113.4	-140.1	176.4	-162.1	0	0	111.6
1000	E	33.8	Very low	34.4	Very low	175 Å²	175	160.3 Å²	160.3	82%	0.818	76%	0.763	S	S	*	*			trans	-96.4	161.8	-170.7	-76.5	-166.2	125	0	0	116.4
1001	D	31.9	Very low	34.6	Very low	140 Å²	140	163.4 Å²	163.4	75%	0.749	77%	0.766	S	S	*	*			trans	36.9	115.4	150.5	-89.7	-4.4	0	0	0	121.5
1002	N	30.6	Very low	34.7	Very low	146 Å²	146	164.5 Å²	164.5	78%	0.781	77%	0.767	S	S	*	*				-158.6	127	113.4	-109	-66	0	0	0	115
1003	E	34.8	Very low	34.9	Very low	162 Å²	162	166.5 Å²	166.5	76%	0.757	77%	0.771	S	S	*	*			trans	27.1	139.7	137.5	-67.2	-139	95.1	0	0	122.2
1004	S	36.9	Very low	35	Very low	90 Å²	90	166.9 Å²	166.9	63%	0.629	77%	0.773	S	S	*	*			cis	-164.8	153.5	-1.3	-126.8	0	0	0	0	112.3	S1006	S1004-S1006 PolarHBondContact O-N 2.96Å
1005	R	37.6	Very low	35.4	Very low	256 Å²	256	170.3 Å²	170.3	97%	0.966	78%	0.784	S	S	*	*			trans	-71.4	120.3	179.4	-69.6	174.5	166.5	99.7	-4.7	112.2
1006	S	36.6	Very low	35.5	Very low	93 Å²	93	172.5 Å²	172.5	65%	0.65	79%	0.786	S	S	*	*			trans	-124.5	-0.3	-175.1	61.8	0	0	0	0	117.3	S1004 R1008	S1004-S1006 PolarHBondContact O-N 2.96Å; S1006-R1008 VanDerWaalsContact C-N 3.31Å; S1006-R1008 PolarHBondContact O-N 2.67Å
1007	W	41.5	Very low	35.6	Very low	251 Å²	251	178.9 Å²	178.9	95%	0.951	81%	0.81	S	S	*	*			trans	-89	48.7	-172	-73.2	51.4	0	0	0	114.5
1008	R	37.7	Very low	35.6	Very low	240 Å²	240	186.9 Å²	186.9	91%	0.906	85%	0.845	S	S	*	*			trans	-142.7	88.2	164.7	-82.2	-168.2	174.9	163.1	0.5	111.6	S1006	S1006-R1008 VanDerWaalsContact C-N 3.31Å; S1006-R1008 PolarHBondContact O-N 2.67Å
1009	R	36	Very low	35.8	Very low	323 Å²	323	187.7 Å²	187.7	100%	1.219	85%	0.846	S	S	*	*			trans	-144.5	0	157	-77	-159.7	173.7	-154.4	0.3	110

Retrieved 1,009 of 1,009 residues in 457.5 ms (Link to these results)

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