A0A087XAG2_POEFO Loading...

Lipase, member Ib

Hydrolyzes specifically phosphatidic acid (PA) to produce 2-acyl lysophosphatidic acid (LPA; a potent bioactive lipid mediator) and fatty acid. Does not hydrolyze other phospholipids, like phosphatidylserine (PS), phosphatidylcholine (PC) and phosphatidylethanolamine (PE) or triacylglycerol (TG).

AlphaFold DB , UniProt , Accession A0A087XAG2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 452 aa.

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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	Y	30.9	Very low	33.5	Very low	281 Å²	281	160.6 Å²	160.6	100%	1.102	81%	0.811	S	S	*	*				0	102.6	0	-83.2	-93.5	0	0	0	108.7
2	T	32.4	Very low	34.1	Very low	121 Å²	121	160.1 Å²	160.1	74%	0.742	81%	0.811	S	S	*	*			trans	11.4	131.7	133.3	7.3	0	0	0	0	116.2
3	I	33.3	Very low	34.2	Very low	146 Å²	146	160.7 Å²	160.7	75%	0.749	82%	0.816	S	S	*	*				175.4	129.2	61.8	-96.5	149.2	0	0	0	105.3
4	K	34.6	Very low	34.2	Very low	186 Å²	186	156.3 Å²	156.3	81%	0.809	81%	0.807	S	S	*	*				79.1	118.4	83.5	-116.1	-173.9	-174.5	-177.5	0	116.5
5	T	36.4	Very low	34.1	Very low	110 Å²	110	153.7 Å²	153.7	68%	0.675	81%	0.806	S	S	*	*			trans	81.3	120.9	139.5	-11.7	0	0	0	0	122.7
6	L	31.9	Very low	34.4	Very low	151 Å²	151	155.6 Å²	155.6	79%	0.791	81%	0.809	S	S	*	*				151.8	102.9	118	-125	76.2	0	0	0	109.5
7	F	35.1	Very low	34.7	Very low	178 Å²	178	152.6 Å²	152.6	78%	0.781	81%	0.805	S	S	*	*				48.8	114.3	99.5	-95.3	-86.7	0	0	0	116.2
8	L	32.1	Very low	34.9	Very low	175 Å²	175	147.7 Å²	147.7	92%	0.916	80%	0.797	S	S	*	*			trans	-149.4	130.1	134.5	-132.5	92.1	0	0	0	109.9
9	C	33.8	Very low	35.5	Very low	96 Å²	96	146.8 Å²	146.8	65%	0.649	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-56.4	136	-173.1	-62.1	0	0	0	0	114.2
10	L	33.9	Very low	36.8	Very low	180 Å²	180	148.8 Å²	148.8	94%	0.942	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-98.8	116.4	146.7	-104.8	105.6	0	0	0	107.2
11	D	34.3	Very low	38.3	Very low	143 Å²	143	148.1 Å²	148.1	77%	0.765	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-61.7	134.1	-176.4	-75.4	-51	0	0	0	112.8	L13	D11-L13 PolarHBondContact O-N 3.44Å
12	L	40.4	Very low	40.8	Very low	154 Å²	154	140.1 Å²	140.1	81%	0.806	78%	0.775	S	S	*	*			trans	-41.4	122.2	156.2	-74	131.1	0	0	0	111.7
13	L	35.4	Very low	43.6	Very low	168 Å²	168	137 Å²	137	88%	0.88	76%	0.758	S	S	*	*			trans	-156.6	61.9	148.5	-98.8	145.6	0	0	0	107.5	D11 C15	D11-L13 PolarHBondContact O-N 3.44Å; L13-C15 PolarHBondContact O-N 3.28Å
14	S	34.9	Very low	46.4	Very low	99 Å²	99	132.5 Å²	132.5	69%	0.692	74%	0.736	S	S	*	*			trans	-73.1	107.2	153.1	64.7	0	0	0	0	106	E16	S14-E16 PolarHBondContact O-N 2.93Å
15	C	32.8	Very low	49.1	Very low	118 Å²	118	129.7 Å²	129.7	80%	0.797	73%	0.73	S	S	*	*			trans	-51.6	106.2	159.9	-112.3	0	0	0	0	107.1	L13 S17	L13-C15 PolarHBondContact O-N 3.28Å; C15-S17 VanDerWaalsContact C-N 3.28Å; C15-S17 PolarHBondContact O-N 2.92Å
16	E	37.6	Very low	51.9	Low	183 Å²	183	125.6 Å²	125.6	86%	0.855	70%	0.702	S	S	*	*			trans	-58	102.4	156.7	-80.7	-179.1	155.5	0	0	105.7	S14 G18	S14-E16 PolarHBondContact O-N 2.93Å; E16-G18 PolarHBondContact O-N 2.9Å
17	S	40.1	Very low	54.9	Low	105 Å²	105	119.4 Å²	119.4	73%	0.734	67%	0.671	S	S	*	*			trans	-62.7	95.4	160.5	54.8	0	0	0	0	105.8	C15 T19	C15-S17 VanDerWaalsContact C-N 3.28Å; C15-S17 PolarHBondContact O-N 2.92Å; S17-T19 PolarHBondContact O-N 3.01Å
18	G	38.9	Very low	57.7	Low	65 Å²	65	116.3 Å²	116.3	67%	0.67	66%	0.662	S	S	*	*			trans	-49.7	115.6	172.1	0	0	0	0	0	108.1	E16 E20	E16-G18 PolarHBondContact O-N 2.9Å; G18-E20 VanDerWaalsContact C-N 3.3Å; G18-E20 PolarHBondContact O-N 3.1Å
19	T	45.6	Very low	60.6	Low	130 Å²	130	108.4 Å²	108.4	80%	0.798	62%	0.621	S	S	*	*			trans	-66.7	95.6	170.8	48.7	0	0	0	0	106.4	S17 E21	S17-T19 PolarHBondContact O-N 3.01Å; T19-E21 PolarHBondContact O-N 2.92Å; T19-E21 VanDerWaalsContact O-N 3.1Å
20	E	60.9	Low	63.3	Low	186 Å²	186	107.8 Å²	107.8	87%	0.869	61%	0.611	S	S	*	*	P	Polyproline II helix	trans	-56	117.8	168.9	-73	-175.8	163.8	0	0	107.5	G18	G18-E20 VanDerWaalsContact C-N 3.3Å; G18-E20 PolarHBondContact O-N 3.1Å
21	E	68.9	Low	65.8	Low	135 Å²	135	104.7 Å²	104.7	63%	0.631	60%	0.595	S	S	*	*	P	Polyproline II helix	trans	-54.7	139	177.5	-75.9	-178.2	156.7	0	0	109.5	T19 R56	T19-E21 PolarHBondContact O-N 2.92Å; T19-E21 VanDerWaalsContact O-N 3.1Å; E21-R56 VanDerWaalsContact O-CZ 3.24Å; E21-R56 PolarHBondContact O-NH1 2.83Å; E21-R56 PolarHBondContact O-NH2 3.03Å
22	P	84	Confident	68.4	Low	113 Å²	113	100.5 Å²	100.5	73%	0.734	58%	0.577	S	S	*	*	P	Polyproline II helix	trans	-65.6	138.8	-178.2	27.3	-34.3	0	0	0	111.6	R56	P22-R56 VanDerWaalsContact C-NH1 3.32Å; P22-R56 PolarHBondContact O-NH1 2.8Å
23	C	90.3	Very high	70.8	Confident	57 Å²	57	96.4 Å²	96.4	39%	0.385	55%	0.554	S	S	.	*	P	Polyproline II helix	trans	-67.6	142.8	177.9	-51.9	0	0	0	0	111.7	C54	C23-C54 VanDerWaalsContact CA-SG 3.55Å; C23-C54 HydrophobicContact CB-CB 4.01Å; C23-C54 WeakPolarHBondContact CB-SG 3.46Å; C23-C54 VanDerWaalsContact SG-CA 3.59Å; C23-C54 WeakPolarHBondContact SG-CB 3.47Å; C23-C54 CovalentContact SG-SG 2.03Å; C23-C54 PolarHBondContact SG-SG 3.25Å
24	D	93.1	Very high	73.2	Confident	51 Å²	51	88.4 Å²	88.4	27%	0.273	51%	0.512	S	S	.	.	P	Polyproline II helix	trans	-83.7	120.5	172.6	-69	-63	0	0	0	110.5	R43 L45 G55 E57	D24-R43 IonicContact OD1-NH2 3.06Å; D24-L45 HydrophobicContact CB-CD2 3.83Å; D24-G55 PolarHBondContact N-O 3.38Å; D24-E57 HydrophobicContact CB-CB 4.4Å; D24-E57 PolarHBondContact OD2-N 3.36Å
25	N	90.3	Very high	75.7	Confident	127 Å²	127	91.3 Å²	91.3	68%	0.679	51%	0.512	S	S	*	.	P	Polyproline II helix	trans	-89.4	151.1	177.2	-70	-41.4	0	0	0	111.5	R43	N25-R43 PolarHBondContact O-NH1 3.06Å
26	F	94.6	Very high	78.3	Confident	24 Å²	24	92.3 Å²	92.3	11%	0.105	51%	0.507	C	S	.	.	P	Polyproline II helix	trans	-56.1	140.6	168.1	-166.5	-81.2	0	0	0	110.3	D28 L45 H80 P88 P89 V109 D111 N113	F26-D28 PolarHBondContact O-N 2.03Å; F26-L45 HydrophobicContact CB-CD1 4.41Å; F26-H80 AromaticContact CE2-CD2 3.72Å; F26-H80 AromaticContact CZ-CD2 3.45Å; F26-H80 VanDerWaalsContact CZ-CD2 3.45Å; F26-H80 WeakPolarHBondContact CZ-CD2 3.49Å; F26-H80 AromaticContact CZ-NE2 3.49Å; F26-H80 WeakPolarHBondContact CZ-NE2 3.01Å; F26-P88 HydrophobicContact CB-CB 4.33Å; F26-P88 HydrophobicContact CB-CG 4.5Å; F26-P88 HydrophobicContact CD1-CB 3.61Å; F26-P88 HydrophobicContact CD1-CG 3.85Å; F26-P88 HydrophobicContact CE1-CB 4.21Å; F26-P88 HydrophobicContact CG-CB 4.14Å; F26-P89 HydrophobicContact CZ-CG 4.38Å; F26-V109 HydrophobicContact CD2-CG1 4.02Å; F26-V109 HydrophobicContact CE2-CG1 4.02Å; F26-D111 HydrophobicContact CD2-CB 3.91Å; F26-D111 HydrophobicContact CE2-CB 3.69Å; F26-D111 HydrophobicContact CZ-CB 4.19Å; F26-N113 HydrophobicContact CE1-CB 3.8Å; F26-N113 HydrophobicContact CZ-CB 4.09Å
27	T	95.5	Very high	80.6	Confident	20 Å²	20	85 Å²	85	12%	0.123	48%	0.48	C	S	.	.	P	Polyproline II helix	trans	-62.7	117.2	-179.6	-55.2	0	0	0	0	110.3	L29 D111 N113 R114	T27-L29 HydrophobicContact CG2-CD1 4.44Å; T27-L29 HydrophobicContact CG2-CD2 3.84Å; T27-L29 HydrophobicContact CG2-CG 3.93Å; T27-D111 WeakPolarHBondContact CB-OD2 3.21Å; T27-D111 PolarHBondContact N-OD2 3.34Å; T27-D111 PolarHBondContact OG1-OD2 3.22Å; T27-N113 PolarHBondContact O-ND2 2.77Å; T27-R114 HydrophobicContact CG2-CG 4.33Å
28	D	94.2	Very high	83	Confident	113 Å²	113	81.1 Å²	81.1	60%	0.604	45%	0.452	S	S	*	.	P	Polyproline II helix	trans	-102.7	121.4	173.3	-166.3	-1.3	0	0	0	109.3	F26 P88	F26-D28 PolarHBondContact O-N 2.03Å; D28-P88 HydrophobicContact CB-CG 4.06Å; D28-P88 WeakPolarHBondContact OD1-CD 3.23Å
29	L	92.9	Very high	85.5	Confident	10 Å²	10	82 Å²	82	5%	0.052	45%	0.448	C	S	.	.			trans	-117	140.3	-177.8	-61.4	173.7	0	0	0	109.5	T27 H33 G86 R114 A117	T27-L29 HydrophobicContact CG2-CD1 4.44Å; T27-L29 HydrophobicContact CG2-CD2 3.84Å; T27-L29 HydrophobicContact CG2-CG 3.93Å; L29-H33 HydrophobicContact CB-CB 4.13Å; L29-H33 HydrophobicContact CD2-CB 4.42Å; L29-G86 PolarHBondContact N-O 2.9Å; L29-G86 VanDerWaalsContact N-O 3.15Å; L29-G86 CarbonylContact O-C 3.57Å; L29-G86 VanDerWaalsContact O-C 3.26Å; L29-G86 VanDerWaalsContact O-CA 3.3Å; L29-G86 WeakPolarHBondContact O-CA 3.21Å; L29-R114 HydrophobicContact CD1-CG 4.16Å; L29-A117 HydrophobicContact CD1-CB 3.74Å
30	D	90.3	Very high	87.9	Confident	82 Å²	82	77.7 Å²	77.7	44%	0.439	42%	0.42	S	S	.	.			trans	-80.3	172.5	172.7	67.9	37.2	0	0	0	112.4	S32 H33 C34	D30-S32 PolarHBondContact O-N 3.22Å; D30-S32 WeakPolarHBondContact OD1-CA 3.43Å; D30-S32 VanDerWaalsContact OD1-CB 3.26Å; D30-S32 WeakPolarHBondContact OD1-CB 3.04Å; D30-S32 PolarHBondContact OD1-N 3.4Å; D30-S32 PolarHBondContact OD1-OG 3.24Å; D30-S32 PolarHBondContact OD2-OG 2.69Å; D30-H33 PolarHBondContact O-N 2.77Å; D30-H33 IonicContact OD1-CE1 3.81Å; D30-H33 IonicContact OD1-CG 3.23Å; D30-H33 PolarHBondContact OD1-N 2.71Å; D30-H33 IonicContact OD1-ND1 2.68Å; D30-H33 PolarHBondContact OD1-ND1 3.08Å; D30-H33 IonicContact OD2-CE1 2.67Å; D30-H33 PolarHBondContact OD2-CE1 3.2Å; D30-H33 IonicContact OD2-ND1 2.96Å; D30-H33 PolarHBondContact OD2-ND1 2.8Å; D30-C34 PolarHBondContact O-N 2.85Å; D30-C34 PolarHBondContact O-SG 3.1Å
31	L	86.5	Confident	89.5	Confident	115 Å²	115	73.9 Å²	73.9	60%	0.602	40%	0.399	S	S	*	.	H	α-helix	trans	-63	-24.6	178.7	-69.9	170.8	0	0	0	113.7	C34 F35	L31-C34 PolarHBondContact O-N 2.88Å; L31-F35 WeakPolarHBondContact O-CB 3.4Å; L31-F35 PolarHBondContact O-N 3.17Å
32	S	89.5	Confident	90.9	Very high	56 Å²	56	67.7 Å²	67.7	39%	0.392	37%	0.37	S	S	.	.	H	α-helix	trans	-69.4	-39.1	179.2	79.9	0	0	0	0	110.9	D30 C34 F35 M36	D30-S32 PolarHBondContact O-N 3.22Å; D30-S32 WeakPolarHBondContact OD1-CA 3.43Å; D30-S32 VanDerWaalsContact OD1-CB 3.26Å; D30-S32 WeakPolarHBondContact OD1-CB 3.04Å; D30-S32 PolarHBondContact OD1-N 3.4Å; D30-S32 PolarHBondContact OD1-OG 3.24Å; D30-S32 PolarHBondContact OD2-OG 2.69Å; S32-C34 VanDerWaalsContact C-N 3.34Å; S32-F35 PolarHBondContact O-N 3.11Å; S32-M36 WeakPolarHBondContact O-CB 3.47Å; S32-M36 WeakPolarHBondContact O-CG 3.5Å; S32-M36 PolarHBondContact O-N 3.15Å
33	H	90.3	Very high	91.5	Very high	67 Å²	67	64 Å²	64	31%	0.31	34%	0.341	S	S	.	.	H	α-helix	trans	-62.8	-41.7	172.1	-63.8	88.9	0	0	0	111.2	L29 D30 F35 G37 T38	L29-H33 HydrophobicContact CB-CB 4.13Å; L29-H33 HydrophobicContact CD2-CB 4.42Å; D30-H33 PolarHBondContact O-N 2.77Å; D30-H33 IonicContact OD1-CE1 3.81Å; D30-H33 IonicContact OD1-CG 3.23Å; D30-H33 PolarHBondContact OD1-N 2.71Å; D30-H33 IonicContact OD1-ND1 2.68Å; D30-H33 PolarHBondContact OD1-ND1 3.08Å; D30-H33 IonicContact OD2-CE1 2.67Å; D30-H33 PolarHBondContact OD2-CE1 3.2Å; D30-H33 IonicContact OD2-ND1 2.96Å; D30-H33 PolarHBondContact OD2-ND1 2.8Å; H33-F35 VanDerWaalsContact C-N 3.29Å; H33-F35 PolarHBondContact O-N 3.27Å; H33-G37 CarbonylContact O-C 3.57Å; H33-G37 VanDerWaalsContact O-CA 3.29Å; H33-G37 WeakPolarHBondContact O-CA 3.46Å; H33-G37 PolarHBondContact O-N 3.01Å; H33-T38 HydrophobicContact CB-CG2 3.97Å
34	C	86.8	Confident	91.9	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-64.2	-34.3	176.9	-57.4	0	0	0	0	112.9	D30 L31 S32 T85 G86 L119	D30-C34 PolarHBondContact O-N 2.85Å; D30-C34 PolarHBondContact O-SG 3.1Å; L31-C34 PolarHBondContact O-N 2.88Å; S32-C34 VanDerWaalsContact C-N 3.34Å; C34-T85 VanDerWaalsContact SG-C 3.55Å; C34-G86 PolarHBondContact SG-N 2.54Å; C34-L119 HydrophobicContact CB-CG 4.39Å; C34-L119 PolarHBondContact O-N 2.88Å
35	F	86.4	Confident	92.1	Very high	161 Å²	161	58.9 Å²	58.9	71%	0.706	31%	0.31	S	S	*	.	H	α-helix	trans	-76.8	-47.5	180	-178.3	-91.7	0	0	0	112.4	L31 S32 H33 G37 L119	L31-F35 WeakPolarHBondContact O-CB 3.4Å; L31-F35 PolarHBondContact O-N 3.17Å; S32-F35 PolarHBondContact O-N 3.11Å; H33-F35 VanDerWaalsContact C-N 3.29Å; H33-F35 PolarHBondContact O-N 3.27Å; F35-G37 VanDerWaalsContact C-N 3.31Å; F35-L119 HydrophobicContact CB-CD1 4.09Å; F35-L119 HydrophobicContact CD2-CD1 3.71Å; F35-L119 HydrophobicContact CG-CD1 4.37Å
36	M	88.1	Confident	92.5	Very high	139 Å²	139	52.8 Å²	52.8	69%	0.685	28%	0.278	S	S	*	.	H	α-helix	trans	-73.3	-26.5	179.1	-65.4	-174.8	-65	0	0	112.3	S32	S32-M36 WeakPolarHBondContact O-CB 3.47Å; S32-M36 WeakPolarHBondContact O-CG 3.5Å; S32-M36 PolarHBondContact O-N 3.15Å
37	G	85.2	Confident	92.6	Very high	29 Å²	29	52.2 Å²	52.2	30%	0.299	28%	0.275	S	S	.	.			trans	82.6	154.8	-168.2	0	0	0	0	0	111.9	H33 F35	H33-G37 CarbonylContact O-C 3.57Å; H33-G37 VanDerWaalsContact O-CA 3.29Å; H33-G37 WeakPolarHBondContact O-CA 3.46Å; H33-G37 PolarHBondContact O-N 3.01Å; F35-G37 VanDerWaalsContact C-N 3.31Å
38	T	90.4	Very high	92.6	Very high	24 Å²	24	51.4 Å²	51.4	15%	0.147	27%	0.27	C	S	.	.			trans	-126.4	156.3	175.6	43.8	0	0	0	0	110.2	H33 R114	H33-T38 HydrophobicContact CB-CG2 3.97Å; T38-R114 WeakPolarHBondContact CB-O 3.46Å; T38-R114 VanDerWaalsContact OG1-C 3.32Å; T38-R114 WeakPolarHBondContact OG1-CA 3.42Å; T38-R114 PolarHBondContact OG1-O 3.26Å
39	S	92	Very high	92.5	Very high	83 Å²	83	52 Å²	52	58%	0.58	26%	0.264	S	S	*	.			trans	-72.5	138.4	169.2	59.4	0	0	0	0	110	Y41 R114	S39-Y41 PolarHBondContact O-N 2.67Å; S39-R114 WeakPolarHBondContact O-CB 3.3Å
40	L	95.3	Very high	92.4	Very high	39 Å²	39	55.9 Å²	55.9	20%	0.204	29%	0.291	C	S	.	.			trans	-52.9	130.5	174.2	175.8	64.3	0	0	0	110.9	V42 W112 Y127 E130 A131	L40-V42 HydrophobicContact CD1-CG2 4Å; L40-V42 HydrophobicContact CG-CG2 4.4Å; L40-W112 HydrophobicContact CD1-CB 4.42Å; L40-Y127 HydrophobicContact CB-CD1 3.7Å; L40-Y127 HydrophobicContact CB-CE1 3.79Å; L40-Y127 HydrophobicContact CB-CG 4.17Å; L40-Y127 HydrophobicContact CD2-CD1 4.1Å; L40-Y127 HydrophobicContact CG-CD1 4.39Å; L40-E130 HydrophobicContact CD2-CB 3.36Å; L40-A131 HydrophobicContact CD1-CB 4.15Å; L40-A131 HydrophobicContact CD2-CB 4.26Å
41	Y	95.5	Very high	92.5	Very high	107 Å²	107	52.7 Å²	52.7	42%	0.42	27%	0.274	S	S	.	.			trans	-146	126.4	170.8	-177.1	-119.6	0	0	0	107.1	S39 R43	S39-Y41 PolarHBondContact O-N 2.67Å; Y41-R43 HydrophobicContact CD1-CG 3.7Å; Y41-R43 HydrophobicContact CE1-CG 3.27Å
42	V	97.9	Very high	92.7	Very high	4 Å²	4	49.3 Å²	49.3	2%	0.024	26%	0.259	C	S	.	.			trans	-107.3	123.1	-179.7	-178.1	0	0	0	0	107.6	L40 L44 H60 V110 D111 W112 A131 N134	L40-V42 HydrophobicContact CD1-CG2 4Å; L40-V42 HydrophobicContact CG-CG2 4.4Å; V42-L44 HydrophobicContact CG1-CD2 4.16Å; V42-H60 PolarHBondContact O-CE1 3.26Å; V42-V110 HydrophobicContact CG1-CG1 3.83Å; V42-D111 CarbonylContact C-O 3.52Å; V42-D111 WeakPolarHBondContact CA-O 3.08Å; V42-W112 HydrophobicContact CG2-CB 4.11Å; V42-A131 HydrophobicContact CG2-CB 3.95Å; V42-N134 HydrophobicContact CG2-CB 4.33Å
43	R	97.5	Very high	92.7	Very high	36 Å²	36	51.2 Å²	51.2	14%	0.136	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	142.2	170.9	-60.4	175.1	73.8	-154.1	-3.4	108.7	D24 N25 Y41 E57 D111	D24-R43 IonicContact OD1-NH2 3.06Å; N25-R43 PolarHBondContact O-NH1 3.06Å; Y41-R43 HydrophobicContact CD1-CG 3.7Å; Y41-R43 HydrophobicContact CE1-CG 3.27Å; R43-E57 IonicContact CZ-OE2 3.7Å; R43-E57 VanDerWaalsContact CZ-OE2 3.23Å; R43-E57 IonicContact NE-OE1 3.61Å; R43-E57 IonicContact NE-OE2 2.67Å; R43-E57 PolarHBondContact NE-OE2 2.98Å; R43-E57 IonicContact NH2-OE2 3.1Å; R43-E57 PolarHBondContact NH2-OE2 2.77Å; R43-D111 HydrophobicContact CB-CB 4.15Å; R43-D111 PolarHBondContact N-O 2.99Å; R43-D111 PolarHBondContact O-N 2.68Å
44	L	98.1	Very high	92.9	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	104.4	179.1	-60.6	177.8	0	0	0	107.8	V42 E57 V58 I108 V110 L135 F138	V42-L44 HydrophobicContact CG1-CD2 4.16Å; L44-E57 CarbonylContact O-C 3.58Å; L44-E57 WeakPolarHBondContact O-CA 3.3Å; L44-V58 HydrophobicContact CB-CB 4.3Å; L44-V58 PolarHBondContact O-N 3.15Å; L44-I108 HydrophobicContact CB-CG2 3.88Å; L44-I108 HydrophobicContact CD2-CG2 4.08Å; L44-I108 HydrophobicContact CG-CG2 4.5Å; L44-V110 HydrophobicContact CD2-CB 4.44Å; L44-V110 HydrophobicContact CD2-CG1 4.25Å; L44-V110 HydrophobicContact CD2-CG2 4.04Å; L44-L135 HydrophobicContact CD2-CD1 4.02Å; L44-F138 HydrophobicContact CD1-CB 4.02Å; L44-F138 HydrophobicContact CD1-CD1 3.56Å; L44-F138 HydrophobicContact CD1-CD2 3.46Å; L44-F138 VanDerWaalsContact CD1-CD2 3.46Å; L44-F138 HydrophobicContact CD1-CE1 3.77Å; L44-F138 HydrophobicContact CD1-CE2 3.64Å; L44-F138 HydrophobicContact CD1-CG 3.38Å; L44-F138 HydrophobicContact CD1-CZ 3.81Å
45	L	97.6	Very high	93.2	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	109.7	-177.2	-54.1	178.4	0	0	0	109.1	D24 F26 Y47 E57 I108 V109 D111	D24-L45 HydrophobicContact CB-CD2 3.83Å; F26-L45 HydrophobicContact CB-CD1 4.41Å; L45-Y47 HydrophobicContact CB-CE2 3.82Å; L45-Y47 VanDerWaalsContact O-CD2 3.3Å; L45-Y47 WeakPolarHBondContact O-CD2 3.43Å; L45-Y47 WeakPolarHBondContact O-CE2 3.48Å; L45-E57 HydrophobicContact CD2-CB 4.22Å; L45-I108 WeakPolarHBondContact O-CA 3.36Å; L45-V109 HydrophobicContact CB-CB 4.29Å; L45-V109 PolarHBondContact N-O 3.27Å; L45-V109 PolarHBondContact O-N 3.28Å; L45-D111 HydrophobicContact CD1-CB 4.47Å
46	L	97.4	Very high	93.6	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	132.6	179.3	175.6	68.4	0	0	0	111.6	T48 N51 G55 R56 V58 Q66 L68 L69 N106 I108	L46-T48 HydrophobicContact CD1-CG2 4.13Å; L46-T48 HydrophobicContact CD2-CG2 4.43Å; L46-T48 HydrophobicContact CG-CG2 4.19Å; L46-N51 PolarHBondContact O-ND2 2.8Å; L46-G55 WeakPolarHBondContact O-CA 3.38Å; L46-R56 WeakPolarHBondContact CB-O 3.31Å; L46-R56 PolarHBondContact N-O 3.06Å; L46-R56 PolarHBondContact O-N 2.77Å; L46-V58 HydrophobicContact CB-CG2 3.53Å; L46-V58 HydrophobicContact CD2-CG2 4.31Å; L46-V58 HydrophobicContact CG-CG2 4.49Å; L46-Q66 HydrophobicContact CD2-CG 3.55Å; L46-L68 HydrophobicContact CD2-CB 3.86Å; L46-L69 HydrophobicContact CD1-CD1 4.16Å; L46-L69 HydrophobicContact CD2-CB 3.82Å; L46-L69 HydrophobicContact CD2-CD1 4.34Å; L46-N106 HydrophobicContact CD1-CB 3.88Å; L46-I108 HydrophobicContact CD1-CG1 3.89Å
47	Y	96.9	Very high	93.9	Very high	12 Å²	12	39.1 Å²	39.1	5%	0.047	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	146.7	169	-57.7	-100.2	0	0	0	108.5	L45 G55 V96 V107 V109	L45-Y47 HydrophobicContact CB-CE2 3.82Å; L45-Y47 VanDerWaalsContact O-CD2 3.3Å; L45-Y47 WeakPolarHBondContact O-CD2 3.43Å; L45-Y47 WeakPolarHBondContact O-CE2 3.48Å; Y47-G55 VanDerWaalsContact CZ-CA 3.42Å; Y47-V96 VanDerWaalsContact CB-CG1 3.41Å; Y47-V96 HydrophobicContact CD1-CG1 3.63Å; Y47-V96 HydrophobicContact CD2-CG1 4.04Å; Y47-V96 HydrophobicContact CD2-CG2 4.05Å; Y47-V96 HydrophobicContact CE1-CG1 4.36Å; Y47-V96 HydrophobicContact CE2-CG2 4.31Å; Y47-V96 HydrophobicContact CG-CG1 3.43Å; Y47-V96 VanDerWaalsContact CG-CG1 3.43Å; Y47-V96 HydrophobicContact CG-CG2 4.29Å; Y47-V107 PolarHBondContact N-O 3.25Å; Y47-V107 PolarHBondContact O-N 3.14Å; Y47-V109 HydrophobicContact CD2-CG2 4.04Å; Y47-V109 HydrophobicContact CE2-CB 4.15Å; Y47-V109 HydrophobicContact CE2-CG2 3.69Å
48	T	95.4	Very high	94.4	Very high	2 Å²	2	37.7 Å²	37.7	1%	0.012	20%	0.196	C	C	.	.			trans	-139.6	179.2	174.4	75.3	0	0	0	0	108.3	L46 S50 N51 L68	L46-T48 HydrophobicContact CD1-CG2 4.13Å; L46-T48 HydrophobicContact CD2-CG2 4.43Å; L46-T48 HydrophobicContact CG-CG2 4.19Å; T48-S50 PolarHBondContact O-N 2.95Å; T48-S50 PolarHBondContact OG1-N 2.93Å; T48-S50 VanDerWaalsContact OG1-N 3.17Å; T48-S50 PolarHBondContact OG1-OG 3.07Å; T48-N51 WeakPolarHBondContact CA-OD1 3.46Å; T48-N51 WeakPolarHBondContact CB-OD1 3.24Å; T48-N51 PolarHBondContact N-OD1 2.83Å; T48-N51 CarbonylContact O-C 3.37Å; T48-N51 PolarHBondContact O-N 2.84Å; T48-N51 PolarHBondContact OG1-OD1 2.75Å; T48-L68 HydrophobicContact CG2-CB 4.35Å
49	R	92.4	Very high	94.5	Very high	127 Å²	127	38.4 Å²	38.4	48%	0.479	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-26.3	173.4	-171.4	175.5	-64.1	146.3	4.1	113.5	A100 E103	R49-A100 PolarHBondContact NE-O 3.11Å; R49-A100 PolarHBondContact NH2-O 3.16Å; R49-E103 PolarHBondContact NH2-O 3.47Å
50	S	91.8	Very high	94.3	Very high	90 Å²	90	36 Å²	36	63%	0.629	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-20.6	179.1	62.8	0	0	0	0	113.4	T48	T48-S50 PolarHBondContact O-N 2.95Å; T48-S50 PolarHBondContact OG1-N 2.93Å; T48-S50 VanDerWaalsContact OG1-N 3.17Å; T48-S50 PolarHBondContact OG1-OG 3.07Å
51	N	92	Very high	93.8	Very high	16 Å²	16	41.8 Å²	41.8	9%	0.086	21%	0.209	C	C	.	.			trans	-135.8	54.5	-179.6	68.8	-43.1	0	0	0	112.5	L46 T48 D53 C54 L68	L46-N51 PolarHBondContact O-ND2 2.8Å; T48-N51 WeakPolarHBondContact CA-OD1 3.46Å; T48-N51 WeakPolarHBondContact CB-OD1 3.24Å; T48-N51 PolarHBondContact N-OD1 2.83Å; T48-N51 CarbonylContact O-C 3.37Å; T48-N51 PolarHBondContact O-N 2.84Å; T48-N51 PolarHBondContact OG1-OD1 2.75Å; N51-D53 PolarHBondContact O-N 2.81Å; N51-C54 HydrophobicContact CB-CB 4.39Å; N51-C54 PolarHBondContact ND2-O 2.88Å; N51-C54 PolarHBondContact O-N 3.06Å; N51-L68 HydrophobicContact CB-CD1 4.3Å
52	P	89.8	Confident	93.4	Very high	44 Å²	44	45.6 Å²	45.6	29%	0.286	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-17.8	-171.4	28.8	-36.5	0	0	0	113.7	R97	P52-R97 HydrophobicContact CB-CG 4.39Å
53	D	91	Very high	93	Very high	95 Å²	95	45.7 Å²	45.7	51%	0.508	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-117.1	0.2	-176.4	-68.9	-36.6	0	0	0	114.1	N51 R97	N51-D53 PolarHBondContact O-N 2.81Å; D53-R97 IonicContact OD1-CZ 3.89Å; D53-R97 IonicContact OD1-NE 3.59Å; D53-R97 PolarHBondContact OD1-NE 2.84Å; D53-R97 IonicContact OD1-NH2 2.71Å; D53-R97 PolarHBondContact OD1-NH2 3.13Å; D53-R97 IonicContact OD2-CZ 3.98Å; D53-R97 IonicContact OD2-NE 2.8Å; D53-R97 IonicContact OD2-NH2 3.59Å; D53-R97 PolarHBondContact OD2-NH2 2.86Å; D53-R97 VanDerWaalsContact OD2-NH2 3.1Å
54	C	92.5	Very high	92.4	Very high	24 Å²	24	49 Å²	49	16%	0.162	25%	0.252	C	S	.	.			trans	-131.3	87.7	-172.4	-175.1	0	0	0	0	109.3	C23 N51	C23-C54 VanDerWaalsContact CA-SG 3.55Å; C23-C54 HydrophobicContact CB-CB 4.01Å; C23-C54 WeakPolarHBondContact CB-SG 3.46Å; C23-C54 VanDerWaalsContact SG-CA 3.59Å; C23-C54 WeakPolarHBondContact SG-CB 3.47Å; C23-C54 CovalentContact SG-SG 2.03Å; C23-C54 PolarHBondContact SG-SG 3.25Å; N51-C54 HydrophobicContact CB-CB 4.39Å; N51-C54 PolarHBondContact ND2-O 2.88Å; N51-C54 PolarHBondContact O-N 3.06Å
55	G	93.8	Very high	91.9	Very high	2 Å²	2	52.4 Å²	52.4	2%	0.021	28%	0.276	C	S	.	.			trans	-60.8	141.5	178.1	0	0	0	0	0	111	D24 L46 Y47	D24-G55 PolarHBondContact N-O 3.38Å; L46-G55 WeakPolarHBondContact O-CA 3.38Å; Y47-G55 VanDerWaalsContact CZ-CA 3.42Å
56	R	95.1	Very high	91.6	Very high	35 Å²	35	53.3 Å²	53.3	13%	0.132	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	127.2	172.4	-62.8	-64.8	-170.4	-168.7	-4.9	110.1	E21 P22 L46 V58 Q66 L68	E21-R56 VanDerWaalsContact O-CZ 3.24Å; E21-R56 PolarHBondContact O-NH1 2.83Å; E21-R56 PolarHBondContact O-NH2 3.03Å; P22-R56 VanDerWaalsContact C-NH1 3.32Å; P22-R56 PolarHBondContact O-NH1 2.8Å; L46-R56 WeakPolarHBondContact CB-O 3.31Å; L46-R56 PolarHBondContact N-O 3.06Å; L46-R56 PolarHBondContact O-N 2.77Å; R56-V58 PolarHBondContact O-N 3.1Å; R56-Q66 VanDerWaalsContact CB-NE2 3.28Å; R56-L68 HydrophobicContact CG-CD1 3.98Å
57	E	94.9	Very high	91.3	Very high	52 Å²	52	59 Å²	59	24%	0.243	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	135.9	177.6	-168.5	165.3	163.7	0	0	111	D24 R43 L44 L45	D24-E57 HydrophobicContact CB-CB 4.4Å; D24-E57 PolarHBondContact OD2-N 3.36Å; R43-E57 IonicContact CZ-OE2 3.7Å; R43-E57 VanDerWaalsContact CZ-OE2 3.23Å; R43-E57 IonicContact NE-OE1 3.61Å; R43-E57 IonicContact NE-OE2 2.67Å; R43-E57 PolarHBondContact NE-OE2 2.98Å; R43-E57 IonicContact NH2-OE2 3.1Å; R43-E57 PolarHBondContact NH2-OE2 2.77Å; L44-E57 CarbonylContact O-C 3.58Å; L44-E57 WeakPolarHBondContact O-CA 3.3Å; L45-E57 HydrophobicContact CD2-CB 4.22Å
58	V	94.8	Very high	91.1	Very high	0 Å²	0	61 Å²	61	0%	0	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-103.3	128.4	174.3	-168.8	0	0	0	0	109	L44 L46 R56 L63 Q66 L69 F138	L44-V58 HydrophobicContact CB-CB 4.3Å; L44-V58 PolarHBondContact O-N 3.15Å; L46-V58 HydrophobicContact CB-CG2 3.53Å; L46-V58 HydrophobicContact CD2-CG2 4.31Å; L46-V58 HydrophobicContact CG-CG2 4.49Å; R56-V58 PolarHBondContact O-N 3.1Å; V58-L63 HydrophobicContact CG1-CD2 4.24Å; V58-Q66 HydrophobicContact CG1-CB 4.37Å; V58-Q66 HydrophobicContact CG2-CG 4.2Å; V58-L69 HydrophobicContact CG1-CD2 4.12Å; V58-F138 HydrophobicContact CB-CE2 4.4Å; V58-F138 HydrophobicContact CB-CZ 4.43Å; V58-F138 HydrophobicContact CG1-CE2 3.73Å; V58-F138 HydrophobicContact CG1-CZ 3.9Å
59	A	92.3	Very high	91.1	Very high	39 Å²	39	62 Å²	62	32%	0.322	33%	0.333	S	S	.	.	P	Polyproline II helix	trans	-71	133.8	173.5	0	0	0	0	0	110.7	H61 R62	A59-H61 PolarHBondContact O-N 3.08Å; A59-H61 VanDerWaalsContact O-N 3.17Å; A59-R62 HydrophobicContact CB-CB 4.24Å
60	H	87.7	Confident	91.3	Very high	31 Å²	31	57.2 Å²	57.2	14%	0.144	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-22.6	-173.6	-71.8	63.8	0	0	0	114.4	V42 N134	V42-H60 PolarHBondContact O-CE1 3.26Å; H60-N134 PolarHBondContact CD2-OD1 2.8Å; H60-N134 PolarHBondContact NE2-OD1 2.91Å
61	H	85.7	Confident	91.5	Very high	161 Å²	161	54.2 Å²	54.2	75%	0.745	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.9	5.1	-174	-56.4	-55.6	0	0	0	113.7	A59	A59-H61 PolarHBondContact O-N 3.08Å; A59-H61 VanDerWaalsContact O-N 3.17Å
62	R	87.9	Confident	91.6	Very high	187 Å²	187	63.5 Å²	63.5	71%	0.706	33%	0.328	S	S	*	.			trans	-144.2	72.2	-177.5	-66.6	-173.2	-171.5	168.6	3.1	109.4	A59 S64 S65	A59-R62 HydrophobicContact CB-CB 4.24Å; R62-S64 PolarHBondContact O-N 3.15Å; R62-S65 WeakPolarHBondContact O-CB 3.47Å; R62-S65 PolarHBondContact O-N 3.36Å; R62-S65 PolarHBondContact O-OG 2.81Å
63	L	88.3	Confident	91.9	Very high	6 Å²	6	65 Å²	65	3%	0.031	33%	0.328	C	S	.	.	G	3₁₀ helix	trans	-58.5	-37.3	-177.7	-57.4	-174.6	0	0	0	111.9	V58 S65 Q66 L69 L71 F138 T141 M142 E145	V58-L63 HydrophobicContact CG1-CD2 4.24Å; L63-S65 PolarHBondContact O-N 3.42Å; L63-S65 VanDerWaalsContact O-N 3.08Å; L63-Q66 PolarHBondContact O-N 3.02Å; L63-L69 HydrophobicContact CB-CD2 4.12Å; L63-L69 HydrophobicContact CD2-CD2 4.09Å; L63-L71 HydrophobicContact CD1-CD1 4.18Å; L63-L71 HydrophobicContact CD1-CD2 4.29Å; L63-F138 HydrophobicContact CD2-CD2 3.86Å; L63-F138 HydrophobicContact CD2-CE2 3.17Å; L63-F138 HydrophobicContact CD2-CZ 3.77Å; L63-T141 HydrophobicContact CD1-CG2 3.92Å; L63-T141 HydrophobicContact CG-CG2 4.03Å; L63-M142 HydrophobicContact CD1-CB 4.27Å; L63-M142 HydrophobicContact CD1-CG 3.78Å; L63-M142 HydrophobicContact CD2-CG 4.45Å; L63-E145 HydrophobicContact CD1-CB 4.37Å; L63-E145 HydrophobicContact CD1-CG 4.36Å
64	S	84.6	Confident	92.2	Very high	106 Å²	106	62.1 Å²	62.1	74%	0.741	32%	0.315	S	S	*	.	G	3₁₀ helix	trans	-60.3	-15.6	176.9	60.6	0	0	0	0	115.1	R62 Q66	R62-S64 PolarHBondContact O-N 3.15Å; S64-Q66 PolarHBondContact O-N 3.32Å
65	S	87.6	Confident	92.5	Very high	72 Å²	72	61.1 Å²	61.1	50%	0.503	31%	0.307	S	S	.	.	G	3₁₀ helix	trans	-72.4	-13.1	174	77.4	0	0	0	0	112.8	R62 L63 P67	R62-S65 WeakPolarHBondContact O-CB 3.47Å; R62-S65 PolarHBondContact O-N 3.36Å; R62-S65 PolarHBondContact O-OG 2.81Å; L63-S65 PolarHBondContact O-N 3.42Å; L63-S65 VanDerWaalsContact O-N 3.08Å; S65-P67 WeakPolarHBondContact O-CD 3.43Å
66	Q	91.6	Very high	92.7	Very high	19 Å²	19	61 Å²	61	9%	0.089	31%	0.306	C	S	.	.			trans	-112.6	96.2	178.4	-176.5	48.1	-105.1	0	0	110.8	L46 R56 V58 L63 S64 L68 L69	L46-Q66 HydrophobicContact CD2-CG 3.55Å; R56-Q66 VanDerWaalsContact CB-NE2 3.28Å; V58-Q66 HydrophobicContact CG1-CB 4.37Å; V58-Q66 HydrophobicContact CG2-CG 4.2Å; L63-Q66 PolarHBondContact O-N 3.02Å; S64-Q66 PolarHBondContact O-N 3.32Å; Q66-L68 PolarHBondContact O-N 3.21Å; Q66-L68 VanDerWaalsContact O-N 3.15Å; Q66-L69 HydrophobicContact CB-CB 4.43Å; Q66-L69 HydrophobicContact CG-CB 4.28Å; Q66-L69 WeakPolarHBondContact O-CB 3.3Å; Q66-L69 PolarHBondContact O-N 2.78Å; Q66-L69 VanDerWaalsContact O-N 3.11Å
67	P	91.2	Very high	92.9	Very high	119 Å²	119	59.3 Å²	59.3	77%	0.773	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-17.2	-175.4	27.3	-36.2	0	0	0	114.2	S65 L69	S65-P67 WeakPolarHBondContact O-CD 3.43Å; P67-L69 VanDerWaalsContact C-N 3.32Å
68	L	93.1	Very high	93	Very high	55 Å²	55	56.9 Å²	56.9	29%	0.288	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78	-15.8	176.3	-63.8	178.3	0	0	0	113.3	L46 T48 N51 R56 Q66 D70	L46-L68 HydrophobicContact CD2-CB 3.86Å; T48-L68 HydrophobicContact CG2-CB 4.35Å; N51-L68 HydrophobicContact CB-CD1 4.3Å; R56-L68 HydrophobicContact CG-CD1 3.98Å; Q66-L68 PolarHBondContact O-N 3.21Å; Q66-L68 VanDerWaalsContact O-N 3.15Å; L68-D70 PolarHBondContact O-N 2.85Å
69	L	95.6	Very high	93.2	Very high	21 Å²	21	56.9 Å²	56.9	11%	0.11	29%	0.289	C	S	.	.			trans	-80.3	113.7	-179.6	-176.9	62.6	0	0	0	110.2	L46 V58 L63 Q66 P67 L71 N106 I108	L46-L69 HydrophobicContact CD1-CD1 4.16Å; L46-L69 HydrophobicContact CD2-CB 3.82Å; L46-L69 HydrophobicContact CD2-CD1 4.34Å; V58-L69 HydrophobicContact CG1-CD2 4.12Å; L63-L69 HydrophobicContact CB-CD2 4.12Å; L63-L69 HydrophobicContact CD2-CD2 4.09Å; Q66-L69 HydrophobicContact CB-CB 4.43Å; Q66-L69 HydrophobicContact CG-CB 4.28Å; Q66-L69 WeakPolarHBondContact O-CB 3.3Å; Q66-L69 PolarHBondContact O-N 2.78Å; Q66-L69 VanDerWaalsContact O-N 3.11Å; P67-L69 VanDerWaalsContact C-N 3.32Å; L69-L71 HydrophobicContact CD1-CD2 4.4Å; L69-L71 HydrophobicContact CD2-CD2 4.03Å; L69-L71 HydrophobicContact CG-CD2 3.99Å; L69-N106 HydrophobicContact CD1-CB 4.22Å; L69-I108 HydrophobicContact CD1-CD1 4.34Å
70	D	95.6	Very high	93.5	Very high	28 Å²	28	55.1 Å²	55.1	15%	0.15	27%	0.274	C	S	.	.			trans	-111.9	103.1	176.2	-173.1	-11	0	0	0	110.3	L68 R72 R73 N106	L68-D70 PolarHBondContact O-N 2.85Å; D70-R72 PolarHBondContact O-N 2.94Å; D70-R72 VanDerWaalsContact O-N 3.08Å; D70-R72 WeakPolarHBondContact OD1-CB 3.45Å; D70-R72 IonicContact OD1-CZ 3.59Å; D70-R72 PolarHBondContact OD1-N 3.09Å; D70-R72 VanDerWaalsContact OD1-N 3.15Å; D70-R72 IonicContact OD1-NE 2.67Å; D70-R72 PolarHBondContact OD1-NE 2.58Å; D70-R72 IonicContact OD1-NH2 3.4Å; D70-R72 PolarHBondContact OD1-NH2 2.8Å; D70-R72 IonicContact OD2-CZ 3.68Å; D70-R72 IonicContact OD2-NE 3.84Å; D70-R72 IonicContact OD2-NH2 2.85Å; D70-R72 PolarHBondContact OD2-NH2 3.18Å; D70-R73 HydrophobicContact CB-CG 3.94Å; D70-R73 WeakPolarHBondContact O-CB 3.15Å; D70-R73 PolarHBondContact O-N 2.74Å; D70-R73 IonicContact OD2-CZ 3.1Å; D70-R73 IonicContact OD2-NE 2.86Å; D70-R73 PolarHBondContact OD2-NE 3.44Å; D70-R73 IonicContact OD2-NH2 2.64Å; D70-N106 PolarHBondContact N-OD1 3.17Å; D70-N106 PolarHBondContact O-ND2 3.25Å
71	L	95.6	Very high	93.9	Very high	26 Å²	26	54 Å²	54	14%	0.136	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-13.7	-176.1	-59.4	-176.3	0	0	0	114.2	L63 L69 R73 M142 E145 A147	L63-L71 HydrophobicContact CD1-CD1 4.18Å; L63-L71 HydrophobicContact CD1-CD2 4.29Å; L69-L71 HydrophobicContact CD1-CD2 4.4Å; L69-L71 HydrophobicContact CD2-CD2 4.03Å; L69-L71 HydrophobicContact CG-CD2 3.99Å; L71-R73 VanDerWaalsContact C-N 3.28Å; L71-M142 HydrophobicContact CD2-CB 4.2Å; L71-M142 HydrophobicContact CD2-CE 3.61Å; L71-M142 HydrophobicContact CD2-CG 4.07Å; L71-E145 HydrophobicContact CD1-CB 3.39Å; L71-A147 HydrophobicContact CB-CB 4.15Å; L71-A147 HydrophobicContact CD2-CB 4.37Å
72	R	95.5	Very high	94.4	Very high	212 Å²	212	49 Å²	49	80%	0.8	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-16.5	174.8	-57.8	168.2	-62.5	176.7	5.6	112.1	D70	D70-R72 PolarHBondContact O-N 2.94Å; D70-R72 VanDerWaalsContact O-N 3.08Å; D70-R72 WeakPolarHBondContact OD1-CB 3.45Å; D70-R72 IonicContact OD1-CZ 3.59Å; D70-R72 PolarHBondContact OD1-N 3.09Å; D70-R72 VanDerWaalsContact OD1-N 3.15Å; D70-R72 IonicContact OD1-NE 2.67Å; D70-R72 PolarHBondContact OD1-NE 2.58Å; D70-R72 IonicContact OD1-NH2 3.4Å; D70-R72 PolarHBondContact OD1-NH2 2.8Å; D70-R72 IonicContact OD2-CZ 3.68Å; D70-R72 IonicContact OD2-NE 3.84Å; D70-R72 IonicContact OD2-NH2 2.85Å; D70-R72 PolarHBondContact OD2-NH2 3.18Å
73	R	96.1	Very high	94.6	Very high	75 Å²	75	41.8 Å²	41.8	28%	0.283	22%	0.218	S	C	.	.	S	Bend	trans	-86.2	149.7	179.4	-62.3	-176.3	-168.2	-168.7	0.1	110.7	D70 L71 T75 D104	D70-R73 HydrophobicContact CB-CG 3.94Å; D70-R73 WeakPolarHBondContact O-CB 3.15Å; D70-R73 PolarHBondContact O-N 2.74Å; D70-R73 IonicContact OD2-CZ 3.1Å; D70-R73 IonicContact OD2-NE 2.86Å; D70-R73 PolarHBondContact OD2-NE 3.44Å; D70-R73 IonicContact OD2-NH2 2.64Å; L71-R73 VanDerWaalsContact C-N 3.28Å; R73-T75 PolarHBondContact O-OG1 3.48Å; R73-D104 IonicContact CZ-OD1 3.66Å; R73-D104 IonicContact CZ-OD2 2.79Å; R73-D104 VanDerWaalsContact CZ-OD2 3.23Å; R73-D104 IonicContact NE-OD2 2.64Å; R73-D104 IonicContact NH1-OD1 3.24Å; R73-D104 PolarHBondContact NH1-OD1 3.44Å; R73-D104 IonicContact NH1-OD2 3.68Å; R73-D104 PolarHBondContact NH1-OD2 3.46Å; R73-D104 IonicContact NH2-OD2 3.83Å
74	P	96.7	Very high	94.5	Very high	35 Å²	35	43.2 Å²	43.2	23%	0.227	23%	0.228	C	C	.	.			trans	-51.5	147	165.5	-25.2	36.4	0	0	0	110.8	E103 M105 N106	P74-E103 WeakPolarHBondContact CB-OE1 3.41Å; P74-E103 VanDerWaalsContact CG-OE1 3.22Å; P74-E103 WeakPolarHBondContact CG-OE1 3.29Å; P74-M105 HydrophobicContact CB-CB 4.28Å; P74-M105 CarbonylContact O-C 3.57Å; P74-M105 VanDerWaalsContact O-CA 3.29Å; P74-M105 WeakPolarHBondContact O-CA 3.35Å; P74-M105 VanDerWaalsContact O-CB 3.23Å; P74-M105 WeakPolarHBondContact O-CB 3.27Å; P74-N106 PolarHBondContact O-N 3.35Å
75	T	98.1	Very high	94.6	Very high	2 Å²	2	41.2 Å²	41.2	1%	0.012	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	119.3	-178.6	-59.3	0	0	0	0	110.6	R73 F77 N106 I108 M142 S151 I152 H153	R73-T75 PolarHBondContact O-OG1 3.48Å; T75-F77 HydrophobicContact CG2-CD2 3.97Å; T75-F77 HydrophobicContact CG2-CE2 3.47Å; T75-F77 VanDerWaalsContact CG2-CE2 3.47Å; T75-F77 HydrophobicContact CG2-CZ 3.9Å; T75-N106 CarbonylContact C-O 3.55Å; T75-N106 WeakPolarHBondContact CA-O 3.47Å; T75-N106 HydrophobicContact CG2-CB 3.96Å; T75-N106 PolarHBondContact OG1-ND2 3.22Å; T75-I108 HydrophobicContact CG2-CD1 3.85Å; T75-I108 HydrophobicContact CG2-CG1 4.25Å; T75-M142 HydrophobicContact CG2-CE 4.15Å; T75-S151 PolarHBondContact N-O 2.74Å; T75-S151 VanDerWaalsContact N-O 3.11Å; T75-I152 WeakPolarHBondContact O-CA 3.41Å; T75-H153 PolarHBondContact O-N 3.34Å
76	A	98.3	Very high	94.6	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	125.3	173.3	0	0	0	0	0	110.2	L99 M105 N106 V107 I108 H153	A76-L99 HydrophobicContact CB-CD1 4.22Å; A76-M105 HydrophobicContact CB-SD 3.86Å; A76-N106 PolarHBondContact N-O 3.21Å; A76-V107 CarbonylContact O-C 3.58Å; A76-V107 WeakPolarHBondContact O-CA 3.45Å; A76-I108 PolarHBondContact O-N 2.9Å; A76-H153 CarbonylContact C-O 3.58Å; A76-H153 VanDerWaalsContact CA-O 3.28Å; A76-H153 WeakPolarHBondContact CA-O 2.98Å
77	F	98.8	Very high	94.6	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	128.3	171.1	-67.2	-97.7	0	0	0	109.9	T75 I79 I108 V110 L135 F138 I139 M142 I152 H153 L154 I155	T75-F77 HydrophobicContact CG2-CD2 3.97Å; T75-F77 HydrophobicContact CG2-CE2 3.47Å; T75-F77 VanDerWaalsContact CG2-CE2 3.47Å; T75-F77 HydrophobicContact CG2-CZ 3.9Å; F77-I79 HydrophobicContact CB-CG1 4.39Å; F77-I108 CarbonylContact C-O 3.59Å; F77-I108 VanDerWaalsContact CA-O 3.28Å; F77-I108 WeakPolarHBondContact CA-O 3.49Å; F77-I108 HydrophobicContact CD1-CB 3.76Å; F77-I108 HydrophobicContact CD1-CD1 4.45Å; F77-I108 HydrophobicContact CD1-CG2 3.84Å; F77-I108 HydrophobicContact CE1-CB 3.88Å; F77-I108 HydrophobicContact CE1-CD1 3.72Å; F77-I108 HydrophobicContact CE1-CG1 4.37Å; F77-I108 HydrophobicContact CE1-CG2 3.86Å; F77-I108 HydrophobicContact CG-CB 4.46Å; F77-I108 HydrophobicContact CZ-CD1 3.9Å; F77-V110 HydrophobicContact CB-CG2 4.27Å; F77-V110 HydrophobicContact CD1-CG2 3.91Å; F77-L135 HydrophobicContact CD1-CD1 3.86Å; F77-L135 HydrophobicContact CE1-CD1 3.73Å; F77-F138 AromaticContact CE1-CD1 3.98Å; F77-F138 HydrophobicContact CE1-CD1 3.98Å; F77-F138 AromaticContact CE1-CE1 3.82Å; F77-F138 HydrophobicContact CE1-CE1 3.82Å; F77-F138 HydrophobicContact CZ-CD1 4.12Å; F77-F138 AromaticContact CZ-CE1 3.9Å; F77-F138 HydrophobicContact CZ-CE1 3.9Å; F77-I139 HydrophobicContact CE1-CG1 4.41Å; F77-I139 HydrophobicContact CE2-CD1 4.11Å; F77-I139 HydrophobicContact CE2-CG1 4.08Å; F77-I139 HydrophobicContact CZ-CD1 4.14Å; F77-I139 HydrophobicContact CZ-CG1 3.76Å; F77-M142 HydrophobicContact CZ-SD 3.82Å; F77-I152 HydrophobicContact CD2-CG2 3.74Å; F77-I152 HydrophobicContact CE2-CD1 4.46Å; F77-I152 HydrophobicContact CE2-CG2 3.73Å; F77-H153 PolarHBondContact N-O 3.13Å; F77-L154 HydrophobicContact CB-CD2 3.65Å; F77-L154 HydrophobicContact CD2-CD2 3.52Å; F77-L154 HydrophobicContact CE2-CD2 4.38Å; F77-L154 HydrophobicContact CG-CD2 3.78Å; F77-I155 PolarHBondContact O-N 3.03Å
78	V	98.7	Very high	94.6	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.006	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	115	177.8	177.4	0	0	0	0	108.9	W91 I92 I95 L99 V107 I108 V109 V110	V78-W91 HydrophobicContact CG1-CH2 4.09Å; V78-W91 HydrophobicContact CG1-CZ3 3.57Å; V78-I92 HydrophobicContact CG1-CD1 4.04Å; V78-I95 HydrophobicContact CG1-CD1 4.37Å; V78-I95 HydrophobicContact CG1-CG2 3.87Å; V78-I95 HydrophobicContact CG2-CD1 4.48Å; V78-I95 HydrophobicContact CG2-CG2 4.3Å; V78-L99 HydrophobicContact CG2-CD1 3.61Å; V78-V107 HydrophobicContact CG2-CG1 4.12Å; V78-I108 PolarHBondContact N-O 3.36Å; V78-V109 HydrophobicContact CB-CG2 4.37Å; V78-V110 PolarHBondContact O-N 2.98Å
79	I	98.9	Very high	94.6	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	109.9	-169	-42.2	-173.9	0	0	0	109.2	F77 V110 L135 I155 G156 V157 L163 A164	F77-I79 HydrophobicContact CB-CG1 4.39Å; I79-V110 HydrophobicContact CD1-CG2 4.42Å; I79-V110 HydrophobicContact CG1-CB 4.18Å; I79-V110 HydrophobicContact CG1-CG2 3.93Å; I79-V110 HydrophobicContact CG2-CB 4.35Å; I79-L135 HydrophobicContact CD1-CD2 3.78Å; I79-I155 PolarHBondContact N-O 3.38Å; I79-G156 WeakPolarHBondContact O-CA 3.35Å; I79-V157 PolarHBondContact O-N 2.57Å; I79-L163 HydrophobicContact CD1-CD2 3.96Å; I79-L163 HydrophobicContact CG2-CB 4.31Å; I79-L163 HydrophobicContact CG2-CD1 3.84Å; I79-L163 HydrophobicContact CG2-CD2 4.09Å; I79-L163 HydrophobicContact CG2-CG 4.31Å; I79-A164 HydrophobicContact CD1-CB 4.11Å
80	H	98.2	Very high	94.4	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.005	19%	0.19	C	C	.	.			trans	-75.3	170.5	178.7	71.1	82.4	0	0	0	112.2	F26 P89 W91 V110 W112 G160	F26-H80 AromaticContact CE2-CD2 3.72Å; F26-H80 AromaticContact CZ-CD2 3.45Å; F26-H80 VanDerWaalsContact CZ-CD2 3.45Å; F26-H80 WeakPolarHBondContact CZ-CD2 3.49Å; F26-H80 AromaticContact CZ-NE2 3.49Å; F26-H80 WeakPolarHBondContact CZ-NE2 3.01Å; H80-P89 HydrophobicContact CB-CG 3.83Å; H80-W91 HydrophobicContact CB-CH2 4.15Å; H80-W91 HydrophobicContact CB-CZ2 4.16Å; H80-V110 PolarHBondContact CD2-O 3.22Å; H80-V110 VanDerWaalsContact CD2-O 3.22Å; H80-W112 AromaticContact CD2-CD1 3.77Å; H80-W112 AromaticContact CD2-NE1 3.92Å; H80-W112 AromaticContact CE1-CD1 3.44Å; H80-W112 VanDerWaalsContact CE1-CD1 3.44Å; H80-W112 AromaticContact CE1-CE2 3.86Å; H80-W112 AromaticContact CE1-CG 3.95Å; H80-W112 AromaticContact CE1-NE1 3.36Å; H80-W112 PolarHBondContact CE1-NE1 2.93Å; H80-W112 AromaticContact CG-NE1 3.9Å; H80-W112 AromaticContact ND1-NE1 3.55Å; H80-W112 AromaticContact NE2-CD1 3.25Å; H80-W112 VanDerWaalsContact NE2-CD1 3.25Å; H80-W112 AromaticContact NE2-CG 3.91Å; H80-W112 PolarHBondContact NE2-N 3.04Å; H80-W112 AromaticContact NE2-NE1 3.61Å; H80-W112 PolarHBondContact O-NE1 2.82Å; H80-G160 WeakPolarHBondContact O-CA 3.26Å
81	G	96.8	Very high	94.3	Very high	7 Å²	7	37.5 Å²	37.5	7%	0.072	19%	0.185	C	C	.	.			trans	-104.3	-155.6	179.2	0	0	0	0	0	114.6	R83 A116 V157	G81-R83 WeakPolarHBondContact O-CG 3.31Å; G81-A116 WeakPolarHBondContact O-CB 3.48Å; G81-V157 VanDerWaalsContact CA-O 3.26Å; G81-V157 WeakPolarHBondContact CA-O 3.5Å; G81-V157 PolarHBondContact N-O 2.83Å
82	Y	96	Very high	94.3	Very high	58 Å²	58	36.5 Å²	36.5	23%	0.227	18%	0.18	C	C	.	.			trans	-56.2	136.7	177.5	-176	-129.7	0	0	0	113.2	P84 A116 N118 L119 Y121 A124 L159	Y82-P84 HydrophobicContact CD1-CB 4.46Å; Y82-P84 HydrophobicContact CD1-CG 4.14Å; Y82-P84 HydrophobicContact CE1-CB 3.78Å; Y82-P84 HydrophobicContact CE1-CG 3.87Å; Y82-A116 VanDerWaalsContact CD2-O 3.28Å; Y82-A116 WeakPolarHBondContact CD2-O 3.29Å; Y82-N118 WeakPolarHBondContact CE2-O 3.49Å; Y82-N118 PolarHBondContact OH-O 3.28Å; Y82-L119 PolarHBondContact OH-O 3Å; Y82-Y121 AromaticContact CD1-CD2 3.92Å; Y82-Y121 HydrophobicContact CD1-CD2 3.92Å; Y82-Y121 HydrophobicContact CD1-CE2 4.39Å; Y82-Y121 HydrophobicContact CD2-CD2 4.13Å; Y82-Y121 AromaticContact CE1-CD2 3.96Å; Y82-Y121 HydrophobicContact CE1-CD2 3.96Å; Y82-Y121 HydrophobicContact CE2-CD2 4.15Å; Y82-Y121 HydrophobicContact CG-CD2 4Å; Y82-Y121 HydrophobicContact CG-CE2 4.33Å; Y82-A124 HydrophobicContact CD2-CB 3.61Å; Y82-A124 HydrophobicContact CE2-CB 3.85Å; Y82-L159 HydrophobicContact CD2-CD1 4.41Å; Y82-L159 HydrophobicContact CG-CD1 4.45Å
83	R	92.4	Very high	94.2	Very high	35 Å²	35	31 Å²	31	13%	0.132	17%	0.167	C	C	.	.			trans	-130.3	69.1	-173.6	-61.8	-56.1	-61.2	-179.4	3.1	112.4	G81 T85 G86 A87 P88 N113 A116 A117	G81-R83 WeakPolarHBondContact O-CG 3.31Å; R83-T85 PolarHBondContact O-N 3.42Å; R83-G86 PolarHBondContact O-N 3.11Å; R83-A87 PolarHBondContact NE-O 3.15Å; R83-A87 PolarHBondContact NH2-O 2.94Å; R83-P88 PolarHBondContact NH2-O 3.32Å; R83-N113 WeakPolarHBondContact CB-OD1 3.06Å; R83-N113 WeakPolarHBondContact CG-OD1 3.39Å; R83-A116 HydrophobicContact CB-CB 4.23Å; R83-A116 HydrophobicContact CG-CB 4.03Å; R83-A116 PolarHBondContact N-O 2.91Å; R83-A117 HydrophobicContact CB-CB 4.24Å; R83-A117 WeakPolarHBondContact O-CA 3.44Å; R83-A117 WeakPolarHBondContact O-CB 3.41Å
84	P	85.4	Confident	94.2	Very high	36 Å²	36	32.4 Å²	32.4	23%	0.234	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-5.5	-174.1	28.3	-36.1	0	0	0	114.8	Y82	Y82-P84 HydrophobicContact CD1-CB 4.46Å; Y82-P84 HydrophobicContact CD1-CG 4.14Å; Y82-P84 HydrophobicContact CE1-CB 3.78Å; Y82-P84 HydrophobicContact CE1-CG 3.87Å
85	T	85.9	Confident	94.1	Very high	64 Å²	64	30.8 Å²	30.8	39%	0.393	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.9	-3.4	175.8	64.7	0	0	0	0	113.6	C34 R83 A87	C34-T85 VanDerWaalsContact SG-C 3.55Å; R83-T85 PolarHBondContact O-N 3.42Å; T85-A87 PolarHBondContact O-N 2.86Å
86	G	89.1	Confident	94	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.161	C	C	.	.			trans	69.3	-16.4	-178.8	0	0	0	0	0	116.1	L29 C34 R83 N113	L29-G86 PolarHBondContact N-O 2.9Å; L29-G86 VanDerWaalsContact N-O 3.15Å; L29-G86 CarbonylContact O-C 3.57Å; L29-G86 VanDerWaalsContact O-C 3.26Å; L29-G86 VanDerWaalsContact O-CA 3.3Å; L29-G86 WeakPolarHBondContact O-CA 3.21Å; C34-G86 PolarHBondContact SG-N 2.54Å; R83-G86 PolarHBondContact O-N 3.11Å; G86-N113 PolarHBondContact O-ND2 3.49Å
87	A	90.3	Very high	93.9	Very high	34 Å²	34	35.1 Å²	35.1	28%	0.281	18%	0.177	S	C	.	.	P	Polyproline II helix	trans	-58	154.2	177.2	0	0	0	0	0	112.7	R83 T85	R83-A87 PolarHBondContact NE-O 3.15Å; R83-A87 PolarHBondContact NH2-O 2.94Å; T85-A87 PolarHBondContact O-N 2.86Å
88	P	91.8	Very high	93.7	Very high	43 Å²	43	35.1 Å²	35.1	28%	0.279	18%	0.177	S	C	.	.	P	Polyproline II helix	trans	-64.7	150.8	169.5	-23.1	33	0	0	0	113.2	F26 D28 R83 I90	F26-P88 HydrophobicContact CB-CB 4.33Å; F26-P88 HydrophobicContact CB-CG 4.5Å; F26-P88 HydrophobicContact CD1-CB 3.61Å; F26-P88 HydrophobicContact CD1-CG 3.85Å; F26-P88 HydrophobicContact CE1-CB 4.21Å; F26-P88 HydrophobicContact CG-CB 4.14Å; D28-P88 HydrophobicContact CB-CG 4.06Å; D28-P88 WeakPolarHBondContact OD1-CD 3.23Å; R83-P88 PolarHBondContact NH2-O 3.32Å; P88-I90 PolarHBondContact O-N 2.98Å
89	P	92.9	Very high	93.5	Very high	6 Å²	6	35.1 Å²	35.1	4%	0.039	18%	0.177	C	C	.	.	P	Polyproline II helix	trans	-70.2	127.2	171.8	-8	21.1	0	0	0	111.6	F26 H80 W91 I92	F26-P89 HydrophobicContact CZ-CG 4.38Å; H80-P89 HydrophobicContact CB-CG 3.83Å; P89-W91 HydrophobicContact CB-CD2 4.03Å; P89-W91 VanDerWaalsContact CB-CE2 3.47Å; P89-W91 HydrophobicContact CB-CG 4.36Å; P89-W91 HydrophobicContact CB-CH2 4.5Å; P89-W91 HydrophobicContact CB-CZ2 3.74Å; P89-W91 HydrophobicContact CG-CZ2 4.15Å; P89-W91 PolarHBondContact O-N 3.34Å; P89-I92 HydrophobicContact CB-CG1 3.88Å; P89-I92 HydrophobicContact CG-CD1 4.3Å; P89-I92 HydrophobicContact CG-CG1 3.81Å; P89-I92 PolarHBondContact O-N 3Å
90	I	91.8	Very high	93.2	Very high	139 Å²	139	35.3 Å²	35.3	71%	0.713	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-15.3	-175.7	62.7	170.6	0	0	0	114.7	P88 F257	P88-I90 PolarHBondContact O-N 2.98Å; I90-F257 HydrophobicContact CD1-CZ 4.29Å
91	W	94	Very high	92.7	Very high	14 Å²	14	41 Å²	41	5%	0.053	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.1	-8.5	-174.3	49.7	-106.4	0	0	0	113.9	V78 H80 P89 N93 R94 I95 V157 V256 L260	V78-W91 HydrophobicContact CG1-CH2 4.09Å; V78-W91 HydrophobicContact CG1-CZ3 3.57Å; H80-W91 HydrophobicContact CB-CH2 4.15Å; H80-W91 HydrophobicContact CB-CZ2 4.16Å; P89-W91 HydrophobicContact CB-CD2 4.03Å; P89-W91 VanDerWaalsContact CB-CE2 3.47Å; P89-W91 HydrophobicContact CB-CG 4.36Å; P89-W91 HydrophobicContact CB-CH2 4.5Å; P89-W91 HydrophobicContact CB-CZ2 3.74Å; P89-W91 HydrophobicContact CG-CZ2 4.15Å; P89-W91 PolarHBondContact O-N 3.34Å; W91-N93 PolarHBondContact O-N 3.43Å; W91-R94 PolarHBondContact O-N 2.87Å; W91-R94 VanDerWaalsContact O-N 3.14Å; W91-I95 HydrophobicContact CE3-CB 4.36Å; W91-I95 HydrophobicContact CE3-CG2 3.74Å; W91-I95 HydrophobicContact CZ3-CG2 3.87Å; W91-I95 PolarHBondContact O-N 3.1Å; W91-V157 HydrophobicContact CH2-CG2 3.75Å; W91-V157 HydrophobicContact CZ2-CB 4.28Å; W91-V157 HydrophobicContact CZ2-CG2 3.79Å; W91-V256 HydrophobicContact CB-CG1 3.8Å; W91-V256 HydrophobicContact CD2-CG1 3.72Å; W91-V256 HydrophobicContact CE3-CG1 4.2Å; W91-V256 HydrophobicContact CG-CG1 3.52Å; W91-L260 HydrophobicContact CB-CD1 4.09Å
92	I	94.1	Very high	92.3	Very high	5 Å²	5	42.6 Å²	42.6	3%	0.026	21%	0.211	C	C	.	.	H	α-helix	trans	-57.3	-51.8	-173.4	-72.8	-74	0	0	0	111.7	V78 P89 R94 I95 V96 V109	V78-I92 HydrophobicContact CG1-CD1 4.04Å; P89-I92 HydrophobicContact CB-CG1 3.88Å; P89-I92 HydrophobicContact CG-CD1 4.3Å; P89-I92 HydrophobicContact CG-CG1 3.81Å; P89-I92 PolarHBondContact O-N 3Å; I92-R94 PolarHBondContact O-N 3.32Å; I92-I95 VanDerWaalsContact O-CG2 3.23Å; I92-I95 WeakPolarHBondContact O-CG2 3.11Å; I92-I95 PolarHBondContact O-N 2.99Å; I92-V96 HydrophobicContact CG2-CG2 4.41Å; I92-V96 WeakPolarHBondContact O-CB 3.22Å; I92-V96 VanDerWaalsContact O-CG2 3.3Å; I92-V96 WeakPolarHBondContact O-CG2 3.14Å; I92-V96 PolarHBondContact O-N 3.3Å; I92-V109 HydrophobicContact CD1-CG1 3.92Å; I92-V109 HydrophobicContact CG2-CG1 4.27Å; I92-V109 HydrophobicContact CG2-CG2 3.96Å
93	N	93.8	Very high	92	Very high	97 Å²	97	43 Å²	43	52%	0.519	22%	0.215	S	C	.	.	H	α-helix	trans	-61.8	-35.5	-178.8	-62.7	-3.7	0	0	0	111.6	W91 R97	W91-N93 PolarHBondContact O-N 3.43Å; N93-R97 VanDerWaalsContact O-CG 3.31Å; N93-R97 WeakPolarHBondContact O-CG 3.29Å; N93-R97 PolarHBondContact O-N 2.93Å
94	R	95.4	Very high	91.9	Very high	104 Å²	104	44.1 Å²	44.1	39%	0.392	22%	0.224	S	C	.	.	H	α-helix	trans	-71.8	-43.7	-179.7	-172.3	59.9	177.1	170.3	6.1	111.9	W91 I92 L98 L260 N264	W91-R94 PolarHBondContact O-N 2.87Å; W91-R94 VanDerWaalsContact O-N 3.14Å; I92-R94 PolarHBondContact O-N 3.32Å; R94-L98 HydrophobicContact CG-CD1 4.13Å; R94-L98 VanDerWaalsContact O-CG 3.27Å; R94-L98 WeakPolarHBondContact O-CG 3.2Å; R94-L98 PolarHBondContact O-N 2.93Å; R94-L98 VanDerWaalsContact O-N 3.13Å; R94-L260 HydrophobicContact CB-CD1 4.48Å; R94-L260 HydrophobicContact CB-CD2 4.39Å; R94-L260 HydrophobicContact CG-CD1 4.25Å; R94-L260 HydrophobicContact CG-CD2 4.12Å; R94-N264 PolarHBondContact NH2-ND2 3.32Å; R94-N264 PolarHBondContact NH2-OD1 3.25Å
95	I	95.9	Very high	92.4	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-66.6	-40.1	179.1	-164	169.1	0	0	0	111.1	V78 W91 I92 L98 L99 I155 F259 L260 L263	V78-I95 HydrophobicContact CG1-CD1 4.37Å; V78-I95 HydrophobicContact CG1-CG2 3.87Å; V78-I95 HydrophobicContact CG2-CD1 4.48Å; V78-I95 HydrophobicContact CG2-CG2 4.3Å; W91-I95 HydrophobicContact CE3-CB 4.36Å; W91-I95 HydrophobicContact CE3-CG2 3.74Å; W91-I95 HydrophobicContact CZ3-CG2 3.87Å; W91-I95 PolarHBondContact O-N 3.1Å; I92-I95 VanDerWaalsContact O-CG2 3.23Å; I92-I95 WeakPolarHBondContact O-CG2 3.11Å; I92-I95 PolarHBondContact O-N 2.99Å; I95-L98 PolarHBondContact O-N 3.49Å; I95-L99 HydrophobicContact CG1-CD1 3.91Å; I95-L99 HydrophobicContact CG1-CG 4.23Å; I95-L99 WeakPolarHBondContact O-CB 3.49Å; I95-L99 VanDerWaalsContact O-CG 3.31Å; I95-L99 WeakPolarHBondContact O-CG 3.17Å; I95-L99 PolarHBondContact O-N 3.24Å; I95-I155 HydrophobicContact CD1-CG2 4.32Å; I95-F259 HydrophobicContact CD1-CD1 4.06Å; I95-F259 HydrophobicContact CD1-CE1 4.04Å; I95-L260 HydrophobicContact CB-CD2 3.61Å; I95-L260 HydrophobicContact CG1-CD2 4.01Å; I95-L263 HydrophobicContact CG1-CD1 4.25Å
96	V	96	Very high	93	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-57.5	-52.8	177.7	164.8	0	0	0	0	110.9	Y47 I92 L98 L99 A100 V107 V109	Y47-V96 VanDerWaalsContact CB-CG1 3.41Å; Y47-V96 HydrophobicContact CD1-CG1 3.63Å; Y47-V96 HydrophobicContact CD2-CG1 4.04Å; Y47-V96 HydrophobicContact CD2-CG2 4.05Å; Y47-V96 HydrophobicContact CE1-CG1 4.36Å; Y47-V96 HydrophobicContact CE2-CG2 4.31Å; Y47-V96 HydrophobicContact CG-CG1 3.43Å; Y47-V96 VanDerWaalsContact CG-CG1 3.43Å; Y47-V96 HydrophobicContact CG-CG2 4.29Å; I92-V96 HydrophobicContact CG2-CG2 4.41Å; I92-V96 WeakPolarHBondContact O-CB 3.22Å; I92-V96 VanDerWaalsContact O-CG2 3.3Å; I92-V96 WeakPolarHBondContact O-CG2 3.14Å; I92-V96 PolarHBondContact O-N 3.3Å; V96-L98 PolarHBondContact O-N 3.17Å; V96-L99 PolarHBondContact O-N 2.98Å; V96-A100 WeakPolarHBondContact O-CB 3.31Å; V96-A100 PolarHBondContact O-N 3.41Å; V96-V107 HydrophobicContact CB-CG1 4.47Å; V96-V107 HydrophobicContact CG1-CG1 4.5Å; V96-V107 HydrophobicContact CG2-CG1 4.04Å; V96-V109 HydrophobicContact CG2-CG2 3.59Å
97	R	95.1	Very high	93.4	Very high	94 Å²	94	39.4 Å²	39.4	36%	0.355	19%	0.194	S	C	.	.	H	α-helix	trans	-56.5	-49.5	177.6	-72.1	176.8	-175.9	-174.8	3.7	111.6	P52 D53 N93 L99 A100 E101	P52-R97 HydrophobicContact CB-CG 4.39Å; D53-R97 IonicContact OD1-CZ 3.89Å; D53-R97 IonicContact OD1-NE 3.59Å; D53-R97 PolarHBondContact OD1-NE 2.84Å; D53-R97 IonicContact OD1-NH2 2.71Å; D53-R97 PolarHBondContact OD1-NH2 3.13Å; D53-R97 IonicContact OD2-CZ 3.98Å; D53-R97 IonicContact OD2-NE 2.8Å; D53-R97 IonicContact OD2-NH2 3.59Å; D53-R97 PolarHBondContact OD2-NH2 2.86Å; D53-R97 VanDerWaalsContact OD2-NH2 3.1Å; N93-R97 VanDerWaalsContact O-CG 3.31Å; N93-R97 WeakPolarHBondContact O-CG 3.29Å; N93-R97 PolarHBondContact O-N 2.93Å; R97-L99 VanDerWaalsContact C-N 3.31Å; R97-L99 PolarHBondContact O-N 3.42Å; R97-A100 PolarHBondContact O-N 3.31Å; R97-E101 WeakPolarHBondContact O-CB 3.45Å; R97-E101 VanDerWaalsContact O-CG 3.24Å; R97-E101 WeakPolarHBondContact O-CG 3.38Å; R97-E101 PolarHBondContact O-N 3.02Å
98	L	94.9	Very high	93.8	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-64.7	-33.2	-177.1	-70.9	177.3	0	0	0	113.5	R94 I95 V96 Q102 L260 L263 N264	R94-L98 HydrophobicContact CG-CD1 4.13Å; R94-L98 VanDerWaalsContact O-CG 3.27Å; R94-L98 WeakPolarHBondContact O-CG 3.2Å; R94-L98 PolarHBondContact O-N 2.93Å; R94-L98 VanDerWaalsContact O-N 3.13Å; I95-L98 PolarHBondContact O-N 3.49Å; V96-L98 PolarHBondContact O-N 3.17Å; L98-Q102 WeakPolarHBondContact O-CG 3.3Å; L98-Q102 PolarHBondContact O-N 2.95Å; L98-Q102 PolarHBondContact O-NE2 2.83Å; L98-L260 HydrophobicContact CD1-CB 4.22Å; L98-L260 HydrophobicContact CD1-CD2 3.88Å; L98-L260 WeakPolarHBondContact CD1-O 3.49Å; L98-L263 HydrophobicContact CB-CB 4.12Å; L98-L263 HydrophobicContact CB-CD1 4.3Å; L98-L263 HydrophobicContact CD1-CB 4.21Å; L98-N264 HydrophobicContact CD1-CB 3.98Å; L98-N264 HydrophobicContact CD2-CB 3.68Å; L98-N264 WeakPolarHBondContact CD2-OD1 3.16Å
99	L	94.9	Very high	94.1	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-71.6	-47.7	175	-73	171.3	0	0	0	111.2	A76 V78 I95 V96 R97 E101 Q102 M105 V107 I155 L263	A76-L99 HydrophobicContact CB-CD1 4.22Å; V78-L99 HydrophobicContact CG2-CD1 3.61Å; I95-L99 HydrophobicContact CG1-CD1 3.91Å; I95-L99 HydrophobicContact CG1-CG 4.23Å; I95-L99 WeakPolarHBondContact O-CB 3.49Å; I95-L99 VanDerWaalsContact O-CG 3.31Å; I95-L99 WeakPolarHBondContact O-CG 3.17Å; I95-L99 PolarHBondContact O-N 3.24Å; V96-L99 PolarHBondContact O-N 2.98Å; R97-L99 VanDerWaalsContact C-N 3.31Å; R97-L99 PolarHBondContact O-N 3.42Å; L99-E101 PolarHBondContact O-N 3.29Å; L99-E101 VanDerWaalsContact O-N 3.15Å; L99-Q102 WeakPolarHBondContact O-CB 3.33Å; L99-Q102 PolarHBondContact O-N 2.86Å; L99-M105 HydrophobicContact CB-SD 3.94Å; L99-M105 WeakPolarHBondContact O-CE 3.23Å; L99-V107 HydrophobicContact CB-CG1 4.49Å; L99-V107 HydrophobicContact CB-CG2 3.82Å; L99-V107 HydrophobicContact CD1-CG1 4.07Å; L99-I155 HydrophobicContact CD1-CD1 3.75Å; L99-I155 HydrophobicContact CD2-CD1 3.86Å; L99-I155 HydrophobicContact CG-CD1 4.45Å; L99-L263 HydrophobicContact CD2-CD1 3.94Å; L99-L263 HydrophobicContact CD2-CD2 4.33Å; L99-L263 HydrophobicContact CG-CD1 4.21Å
100	A	91.8	Very high	94.4	Very high	4 Å²	4	35.4 Å²	35.4	3%	0.033	17%	0.165	C	C	.	.	H	α-helix	trans	-62	-21.7	176.9	0	0	0	0	0	113.5	R49 V96 R97 V107	R49-A100 PolarHBondContact NE-O 3.11Å; R49-A100 PolarHBondContact NH2-O 3.16Å; V96-A100 WeakPolarHBondContact O-CB 3.31Å; V96-A100 PolarHBondContact O-N 3.41Å; R97-A100 PolarHBondContact O-N 3.31Å; A100-V107 HydrophobicContact CB-CG2 4.4Å
101	E	89.1	Confident	94.7	Very high	122 Å²	122	28.9 Å²	28.9	57%	0.57	13%	0.132	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-19.4	172.7	-74.2	170.1	-173.4	0	0	114	R97 L99	R97-E101 WeakPolarHBondContact O-CB 3.45Å; R97-E101 VanDerWaalsContact O-CG 3.24Å; R97-E101 WeakPolarHBondContact O-CG 3.38Å; R97-E101 PolarHBondContact O-N 3.02Å; L99-E101 PolarHBondContact O-N 3.29Å; L99-E101 VanDerWaalsContact O-N 3.15Å
102	Q	87.8	Confident	94.9	Very high	40 Å²	40	28.2 Å²	28.2	19%	0.187	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-48.2	-179.8	-66	-46.6	-60.8	0	0	112.3	L98 L99 M105 L263 Y302	L98-Q102 WeakPolarHBondContact O-CG 3.3Å; L98-Q102 PolarHBondContact O-N 2.95Å; L98-Q102 PolarHBondContact O-NE2 2.83Å; L99-Q102 WeakPolarHBondContact O-CB 3.33Å; L99-Q102 PolarHBondContact O-N 2.86Å; Q102-M105 HydrophobicContact CB-CE 4.17Å; Q102-L263 HydrophobicContact CG-CD2 4.31Å; Q102-L263 PolarHBondContact NE2-O 3.33Å; Q102-Y302 HydrophobicContact CB-CD2 4.43Å; Q102-Y302 HydrophobicContact CB-CG 4.33Å; Q102-Y302 HydrophobicContact CG-CD2 4.33Å; Q102-Y302 HydrophobicContact CG-CG 4.45Å
103	E	88.8	Confident	95.1	Very high	65 Å²	65	28 Å²	28	30%	0.304	13%	0.128	S	C	.	.	S	Bend	trans	-155.6	171.1	176.8	60.1	176.3	-171.2	0	0	109.3	R49 P74 M105 Y302	R49-E103 PolarHBondContact NH2-O 3.47Å; P74-E103 WeakPolarHBondContact CB-OE1 3.41Å; P74-E103 VanDerWaalsContact CG-OE1 3.22Å; P74-E103 WeakPolarHBondContact CG-OE1 3.29Å; E103-M105 HydrophobicContact CB-CE 4.48Å; E103-M105 HydrophobicContact CG-CB 4.35Å; E103-M105 HydrophobicContact CG-CE 3.27Å; E103-M105 PolarHBondContact O-N 3.32Å; E103-M105 VanDerWaalsContact O-N 3.1Å; E103-Y302 HydrophobicContact CG-CE1 3.86Å; E103-Y302 WeakPolarHBondContact OE1-CE1 3.46Å; E103-Y302 PolarHBondContact OE1-OH 2.98Å
104	D	92.3	Very high	95.2	Very high	60 Å²	60	28.3 Å²	28.3	32%	0.321	12%	0.122	S	C	.	.	S	Bend	trans	-77.9	96.9	178.9	-165.6	12.7	0	0	0	110.2	R73	R73-D104 IonicContact CZ-OD1 3.66Å; R73-D104 IonicContact CZ-OD2 2.79Å; R73-D104 VanDerWaalsContact CZ-OD2 3.23Å; R73-D104 IonicContact NE-OD2 2.64Å; R73-D104 IonicContact NH1-OD1 3.24Å; R73-D104 PolarHBondContact NH1-OD1 3.44Å; R73-D104 IonicContact NH1-OD2 3.68Å; R73-D104 PolarHBondContact NH1-OD2 3.46Å; R73-D104 IonicContact NH2-OD2 3.83Å
105	M	95.4	Very high	95.2	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	10%	0.103	C	C	.	.			trans	-131.8	162.5	-170.7	68.4	174.3	69.4	0	0	112.4	P74 A76 L99 Q102 E103 V107 Y302	P74-M105 HydrophobicContact CB-CB 4.28Å; P74-M105 CarbonylContact O-C 3.57Å; P74-M105 VanDerWaalsContact O-CA 3.29Å; P74-M105 WeakPolarHBondContact O-CA 3.35Å; P74-M105 VanDerWaalsContact O-CB 3.23Å; P74-M105 WeakPolarHBondContact O-CB 3.27Å; A76-M105 HydrophobicContact CB-SD 3.86Å; L99-M105 HydrophobicContact CB-SD 3.94Å; L99-M105 WeakPolarHBondContact O-CE 3.23Å; Q102-M105 HydrophobicContact CB-CE 4.17Å; E103-M105 HydrophobicContact CB-CE 4.48Å; E103-M105 HydrophobicContact CG-CB 4.35Å; E103-M105 HydrophobicContact CG-CE 3.27Å; E103-M105 PolarHBondContact O-N 3.32Å; E103-M105 VanDerWaalsContact O-N 3.1Å; M105-V107 HydrophobicContact CG-CG2 3.79Å; M105-V107 HydrophobicContact SD-CG2 3.79Å; M105-Y302 HydrophobicContact CE-CE1 4.42Å; M105-Y302 HydrophobicContact CE-CE2 3.9Å; M105-Y302 VanDerWaalsContact CE-OH 3.31Å; M105-Y302 WeakPolarHBondContact CE-OH 3.28Å
106	N	97.8	Very high	95.1	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	131.4	160.4	-51.2	-55.5	0	0	0	108.5	L46 L69 D70 P74 T75 A76	L46-N106 HydrophobicContact CD1-CB 3.88Å; L69-N106 HydrophobicContact CD1-CB 4.22Å; D70-N106 PolarHBondContact N-OD1 3.17Å; D70-N106 PolarHBondContact O-ND2 3.25Å; P74-N106 PolarHBondContact O-N 3.35Å; T75-N106 CarbonylContact C-O 3.55Å; T75-N106 WeakPolarHBondContact CA-O 3.47Å; T75-N106 HydrophobicContact CG2-CB 3.96Å; T75-N106 PolarHBondContact OG1-ND2 3.22Å; A76-N106 PolarHBondContact N-O 3.21Å
107	V	98.2	Very high	95	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	114.6	170.3	-174.8	0	0	0	0	108.4	Y47 A76 V78 V96 L99 A100 M105	Y47-V107 PolarHBondContact N-O 3.25Å; Y47-V107 PolarHBondContact O-N 3.14Å; A76-V107 CarbonylContact O-C 3.58Å; A76-V107 WeakPolarHBondContact O-CA 3.45Å; V78-V107 HydrophobicContact CG2-CG1 4.12Å; V96-V107 HydrophobicContact CB-CG1 4.47Å; V96-V107 HydrophobicContact CG1-CG1 4.5Å; V96-V107 HydrophobicContact CG2-CG1 4.04Å; L99-V107 HydrophobicContact CB-CG1 4.49Å; L99-V107 HydrophobicContact CB-CG2 3.82Å; L99-V107 HydrophobicContact CD1-CG1 4.07Å; A100-V107 HydrophobicContact CB-CG2 4.4Å; M105-V107 HydrophobicContact CG-CG2 3.79Å; M105-V107 HydrophobicContact SD-CG2 3.79Å
108	I	98.5	Very high	94.8	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	113	-177.5	-60.1	176.4	0	0	0	108.9	L44 L45 L46 L69 T75 A76 F77 V78 F138	L44-I108 HydrophobicContact CB-CG2 3.88Å; L44-I108 HydrophobicContact CD2-CG2 4.08Å; L44-I108 HydrophobicContact CG-CG2 4.5Å; L45-I108 WeakPolarHBondContact O-CA 3.36Å; L46-I108 HydrophobicContact CD1-CG1 3.89Å; L69-I108 HydrophobicContact CD1-CD1 4.34Å; T75-I108 HydrophobicContact CG2-CD1 3.85Å; T75-I108 HydrophobicContact CG2-CG1 4.25Å; A76-I108 PolarHBondContact O-N 2.9Å; F77-I108 CarbonylContact C-O 3.59Å; F77-I108 VanDerWaalsContact CA-O 3.28Å; F77-I108 WeakPolarHBondContact CA-O 3.49Å; F77-I108 HydrophobicContact CD1-CB 3.76Å; F77-I108 HydrophobicContact CD1-CD1 4.45Å; F77-I108 HydrophobicContact CD1-CG2 3.84Å; F77-I108 HydrophobicContact CE1-CB 3.88Å; F77-I108 HydrophobicContact CE1-CD1 3.72Å; F77-I108 HydrophobicContact CE1-CG1 4.37Å; F77-I108 HydrophobicContact CE1-CG2 3.86Å; F77-I108 HydrophobicContact CG-CB 4.46Å; F77-I108 HydrophobicContact CZ-CD1 3.9Å; V78-I108 PolarHBondContact N-O 3.36Å; I108-F138 HydrophobicContact CD1-CE1 3.88Å; I108-F138 HydrophobicContact CD1-CZ 4.17Å
109	V	98.6	Very high	94.5	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	121.8	171	175.3	0	0	0	0	108.5	F26 L45 Y47 V78 I92 V96 D111	F26-V109 HydrophobicContact CD2-CG1 4.02Å; F26-V109 HydrophobicContact CE2-CG1 4.02Å; L45-V109 HydrophobicContact CB-CB 4.29Å; L45-V109 PolarHBondContact N-O 3.27Å; L45-V109 PolarHBondContact O-N 3.28Å; Y47-V109 HydrophobicContact CD2-CG2 4.04Å; Y47-V109 HydrophobicContact CE2-CB 4.15Å; Y47-V109 HydrophobicContact CE2-CG2 3.69Å; V78-V109 HydrophobicContact CB-CG2 4.37Å; I92-V109 HydrophobicContact CD1-CG1 3.92Å; I92-V109 HydrophobicContact CG2-CG1 4.27Å; I92-V109 HydrophobicContact CG2-CG2 3.96Å; V96-V109 HydrophobicContact CG2-CG2 3.59Å; V109-D111 PolarHBondContact O-N 2.87Å
110	V	98.7	Very high	94.3	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	94.8	176.7	-174.8	0	0	0	0	107.9	V42 L44 F77 V78 I79 H80 W112 L135	V42-V110 HydrophobicContact CG1-CG1 3.83Å; L44-V110 HydrophobicContact CD2-CB 4.44Å; L44-V110 HydrophobicContact CD2-CG1 4.25Å; L44-V110 HydrophobicContact CD2-CG2 4.04Å; F77-V110 HydrophobicContact CB-CG2 4.27Å; F77-V110 HydrophobicContact CD1-CG2 3.91Å; V78-V110 PolarHBondContact O-N 2.98Å; I79-V110 HydrophobicContact CD1-CG2 4.42Å; I79-V110 HydrophobicContact CG1-CB 4.18Å; I79-V110 HydrophobicContact CG1-CG2 3.93Å; I79-V110 HydrophobicContact CG2-CB 4.35Å; H80-V110 PolarHBondContact CD2-O 3.22Å; H80-V110 VanDerWaalsContact CD2-O 3.22Å; V110-W112 PolarHBondContact O-N 3.22Å; V110-L135 HydrophobicContact CG1-CD2 4.28Å; V110-L135 HydrophobicContact CG2-CD1 4.23Å; V110-L135 HydrophobicContact CG2-CD2 3.89Å
111	D	98.4	Very high	94.4	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.005	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	94.3	175.8	173.1	11.8	0	0	0	109.1	F26 T27 V42 R43 L45 V109 N113	F26-D111 HydrophobicContact CD2-CB 3.91Å; F26-D111 HydrophobicContact CE2-CB 3.69Å; F26-D111 HydrophobicContact CZ-CB 4.19Å; T27-D111 WeakPolarHBondContact CB-OD2 3.21Å; T27-D111 PolarHBondContact N-OD2 3.34Å; T27-D111 PolarHBondContact OG1-OD2 3.22Å; V42-D111 CarbonylContact C-O 3.52Å; V42-D111 WeakPolarHBondContact CA-O 3.08Å; R43-D111 HydrophobicContact CB-CB 4.15Å; R43-D111 PolarHBondContact N-O 2.99Å; R43-D111 PolarHBondContact O-N 2.68Å; L45-D111 HydrophobicContact CD1-CB 4.47Å; V109-D111 PolarHBondContact O-N 2.87Å; D111-N113 WeakPolarHBondContact OD1-CB 3.45Å; D111-N113 PolarHBondContact OD1-N 3.45Å
112	W	98.1	Very high	94.6	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	14%	0.139	C	C	.	.			trans	-105.8	28.7	172.4	69.4	-73.2	0	0	0	110.4	L40 V42 H80 V110 R114 G115 A116 T128 A131 L159 L163	L40-W112 HydrophobicContact CD1-CB 4.42Å; V42-W112 HydrophobicContact CG2-CB 4.11Å; H80-W112 AromaticContact CD2-CD1 3.77Å; H80-W112 AromaticContact CD2-NE1 3.92Å; H80-W112 AromaticContact CE1-CD1 3.44Å; H80-W112 VanDerWaalsContact CE1-CD1 3.44Å; H80-W112 AromaticContact CE1-CE2 3.86Å; H80-W112 AromaticContact CE1-CG 3.95Å; H80-W112 AromaticContact CE1-NE1 3.36Å; H80-W112 PolarHBondContact CE1-NE1 2.93Å; H80-W112 AromaticContact CG-NE1 3.9Å; H80-W112 AromaticContact ND1-NE1 3.55Å; H80-W112 AromaticContact NE2-CD1 3.25Å; H80-W112 VanDerWaalsContact NE2-CD1 3.25Å; H80-W112 AromaticContact NE2-CG 3.91Å; H80-W112 PolarHBondContact NE2-N 3.04Å; H80-W112 AromaticContact NE2-NE1 3.61Å; H80-W112 PolarHBondContact O-NE1 2.82Å; V110-W112 PolarHBondContact O-N 3.22Å; W112-R114 PolarHBondContact O-N 2.72Å; W112-R114 VanDerWaalsContact O-N 3.14Å; W112-G115 WeakPolarHBondContact O-CA 3.47Å; W112-G115 PolarHBondContact O-N 2.83Å; W112-A116 HydrophobicContact CD2-CB 3.84Å; W112-A116 HydrophobicContact CE3-CB 3.77Å; W112-A116 HydrophobicContact CH2-CB 3.6Å; W112-A116 HydrophobicContact CZ2-CB 3.66Å; W112-A116 VanDerWaalsContact CZ3-CA 3.5Å; W112-A116 HydrophobicContact CZ3-CB 3.66Å; W112-A116 PolarHBondContact O-N 3.27Å; W112-T128 HydrophobicContact CH2-CG2 3.91Å; W112-T128 HydrophobicContact CZ3-CG2 4.35Å; W112-A131 HydrophobicContact CB-CB 4.35Å; W112-L159 HydrophobicContact CH2-CB 4.12Å; W112-L159 HydrophobicContact CH2-CD1 4.01Å; W112-L159 HydrophobicContact CZ2-CB 4.09Å; W112-L163 HydrophobicContact CD2-CD1 4.26Å; W112-L163 HydrophobicContact CG-CD1 4.28Å
113	N	96.8	Very high	95	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-62	-28	-170	-163.5	30	0	0	0	112.9	F26 T27 R83 G86 D111 G115 A116 A117	F26-N113 HydrophobicContact CE1-CB 3.8Å; F26-N113 HydrophobicContact CZ-CB 4.09Å; T27-N113 PolarHBondContact O-ND2 2.77Å; R83-N113 WeakPolarHBondContact CB-OD1 3.06Å; R83-N113 WeakPolarHBondContact CG-OD1 3.39Å; G86-N113 PolarHBondContact O-ND2 3.49Å; D111-N113 WeakPolarHBondContact OD1-CB 3.45Å; D111-N113 PolarHBondContact OD1-N 3.45Å; N113-G115 PolarHBondContact O-N 2.63Å; N113-A116 PolarHBondContact O-N 2.85Å; N113-A117 WeakPolarHBondContact O-CB 3.21Å; N113-A117 PolarHBondContact O-N 3.15Å
114	R	96.4	Very high	95.3	Very high	105 Å²	105	26.7 Å²	26.7	40%	0.396	13%	0.127	S	C	.	.	H	α-helix	trans	-67.5	-14.5	170.7	-68.6	-163.8	173	-174.8	-1.8	114.6	T27 L29 T38 S39 W112	T27-R114 HydrophobicContact CG2-CG 4.33Å; L29-R114 HydrophobicContact CD1-CG 4.16Å; T38-R114 WeakPolarHBondContact CB-O 3.46Å; T38-R114 VanDerWaalsContact OG1-C 3.32Å; T38-R114 WeakPolarHBondContact OG1-CA 3.42Å; T38-R114 PolarHBondContact OG1-O 3.26Å; S39-R114 WeakPolarHBondContact O-CB 3.3Å; W112-R114 PolarHBondContact O-N 2.72Å; W112-R114 VanDerWaalsContact O-N 3.14Å
115	G	95.3	Very high	95.5	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-97.5	-36.5	166.3	0	0	0	0	0	112.6	W112 N113 Y127	W112-G115 WeakPolarHBondContact O-CA 3.47Å; W112-G115 PolarHBondContact O-N 2.83Å; N113-G115 PolarHBondContact O-N 2.63Å; G115-Y127 WeakPolarHBondContact O-CD2 3.47Å
116	A	95.1	Very high	95.6	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-76.6	-26.3	-175.8	0	0	0	0	0	114.1	G81 Y82 R83 W112 N113 N118	G81-A116 WeakPolarHBondContact O-CB 3.48Å; Y82-A116 VanDerWaalsContact CD2-O 3.28Å; Y82-A116 WeakPolarHBondContact CD2-O 3.29Å; R83-A116 HydrophobicContact CB-CB 4.23Å; R83-A116 HydrophobicContact CG-CB 4.03Å; R83-A116 PolarHBondContact N-O 2.91Å; W112-A116 HydrophobicContact CD2-CB 3.84Å; W112-A116 HydrophobicContact CE3-CB 3.77Å; W112-A116 HydrophobicContact CH2-CB 3.6Å; W112-A116 HydrophobicContact CZ2-CB 3.66Å; W112-A116 VanDerWaalsContact CZ3-CA 3.5Å; W112-A116 HydrophobicContact CZ3-CB 3.66Å; W112-A116 PolarHBondContact O-N 3.27Å; N113-A116 PolarHBondContact O-N 2.85Å; A116-N118 PolarHBondContact O-N 3.14Å
117	A	93.3	Very high	95.5	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.008	15%	0.15	C	C	.	.			trans	-88.8	80.9	-175.9	0	0	0	0	0	111.7	L29 R83 N113	L29-A117 HydrophobicContact CD1-CB 3.74Å; R83-A117 HydrophobicContact CB-CB 4.24Å; R83-A117 WeakPolarHBondContact O-CA 3.44Å; R83-A117 WeakPolarHBondContact O-CB 3.41Å; N113-A117 WeakPolarHBondContact O-CB 3.21Å; N113-A117 PolarHBondContact O-N 3.15Å
118	N	90.6	Very high	95.5	Very high	17 Å²	17	31 Å²	31	9%	0.091	15%	0.151	C	C	.	.			trans	-139.4	146.2	179.5	-156.5	-57.6	0	0	0	109.2	Y82 A116 N120 T123	Y82-N118 WeakPolarHBondContact CE2-O 3.49Å; Y82-N118 PolarHBondContact OH-O 3.28Å; A116-N118 PolarHBondContact O-N 3.14Å; N118-N120 VanDerWaalsContact C-N 3.35Å; N118-N120 WeakPolarHBondContact OD1-CA 3.24Å; N118-N120 WeakPolarHBondContact OD1-CB 3.42Å; N118-N120 PolarHBondContact OD1-N 3.33Å; N118-T123 WeakPolarHBondContact ND2-CG2 3.36Å
119	L	88.7	Confident	95.5	Very high	93 Å²	93	36.1 Å²	36.1	49%	0.487	17%	0.17	S	C	.	.	S	Bend	trans	-77	-26	169.3	-69.9	-178.6	0	0	0	112.3	C34 F35 Y82 Y121	C34-L119 HydrophobicContact CB-CG 4.39Å; C34-L119 PolarHBondContact O-N 2.88Å; F35-L119 HydrophobicContact CB-CD1 4.09Å; F35-L119 HydrophobicContact CD2-CD1 3.71Å; F35-L119 HydrophobicContact CG-CD1 4.37Å; Y82-L119 PolarHBondContact OH-O 3Å; L119-Y121 PolarHBondContact O-N 3.24Å
120	N	91	Very high	95.4	Very high	76 Å²	76	40.3 Å²	40.3	41%	0.406	19%	0.19	S	C	.	.			trans	-83.6	101	171.2	-174.9	-2.6	0	0	0	109.9	N118 F122 T123 A124	N118-N120 VanDerWaalsContact C-N 3.35Å; N118-N120 WeakPolarHBondContact OD1-CA 3.24Å; N118-N120 WeakPolarHBondContact OD1-CB 3.42Å; N118-N120 PolarHBondContact OD1-N 3.33Å; N120-F122 PolarHBondContact O-N 2.93Å; N120-F122 WeakPolarHBondContact OD1-CB 3.28Å; N120-F122 WeakPolarHBondContact OD1-CD2 3.33Å; N120-F122 PolarHBondContact OD1-N 3.33Å; N120-F122 VanDerWaalsContact OD1-N 3.11Å; N120-T123 PolarHBondContact ND2-OG1 3.4Å; N120-T123 WeakPolarHBondContact O-CB 3.23Å; N120-T123 PolarHBondContact O-N 3.49Å; N120-T123 VanDerWaalsContact O-N 3.13Å; N120-A124 PolarHBondContact O-N 2.56Å
121	Y	93.1	Very high	95.4	Very high	46 Å²	46	40.3 Å²	40.3	18%	0.18	19%	0.19	C	C	.	.	H	α-helix	trans	-55.2	-36.8	178.3	179.1	-100.8	0	0	0	112.9	Y82 L119 T123 A124 V125 L159 P186 M187	Y82-Y121 AromaticContact CD1-CD2 3.92Å; Y82-Y121 HydrophobicContact CD1-CD2 3.92Å; Y82-Y121 HydrophobicContact CD1-CE2 4.39Å; Y82-Y121 HydrophobicContact CD2-CD2 4.13Å; Y82-Y121 AromaticContact CE1-CD2 3.96Å; Y82-Y121 HydrophobicContact CE1-CD2 3.96Å; Y82-Y121 HydrophobicContact CE2-CD2 4.15Å; Y82-Y121 HydrophobicContact CG-CD2 4Å; Y82-Y121 HydrophobicContact CG-CE2 4.33Å; L119-Y121 PolarHBondContact O-N 3.24Å; Y121-T123 VanDerWaalsContact C-N 3.29Å; Y121-T123 PolarHBondContact O-N 3.27Å; Y121-A124 WeakPolarHBondContact O-CB 3.36Å; Y121-A124 PolarHBondContact O-N 2.87Å; Y121-A124 VanDerWaalsContact O-N 3.15Å; Y121-V125 HydrophobicContact CD1-CG2 3.79Å; Y121-V125 HydrophobicContact CE1-CG2 3.34Å; Y121-V125 HydrophobicContact CE2-CG2 4.35Å; Y121-V125 HydrophobicContact CG-CG2 4.46Å; Y121-V125 WeakPolarHBondContact O-CG2 3.48Å; Y121-V125 PolarHBondContact O-N 3.26Å; Y121-L159 HydrophobicContact CE2-CD1 4.08Å; Y121-L159 HydrophobicContact CE2-CD2 4.23Å; Y121-L159 HydrophobicContact CE2-CG 4.28Å; Y121-L159 WeakPolarHBondContact OH-CD2 3.29Å; Y121-P186 HydrophobicContact CE1-CB 3.71Å; Y121-P186 WeakPolarHBondContact CE1-O 3.47Å; Y121-P186 PolarHBondContact OH-O 3Å; Y121-M187 HydrophobicContact CE1-CG 4.17Å
122	F	94.6	Very high	95.5	Very high	122 Å²	122	40.3 Å²	40.3	54%	0.535	19%	0.19	S	C	.	.	H	α-helix	trans	-64.4	-34.6	-179.3	-58.6	-75.3	0	0	0	112.3	N120 V125 T126 M187	N120-F122 PolarHBondContact O-N 2.93Å; N120-F122 WeakPolarHBondContact OD1-CB 3.28Å; N120-F122 WeakPolarHBondContact OD1-CD2 3.33Å; N120-F122 PolarHBondContact OD1-N 3.33Å; N120-F122 VanDerWaalsContact OD1-N 3.11Å; F122-V125 WeakPolarHBondContact O-CB 3.25Å; F122-V125 PolarHBondContact O-N 2.91Å; F122-T126 PolarHBondContact O-N 3.48Å; F122-T126 PolarHBondContact O-OG1 3.38Å; F122-M187 HydrophobicContact CD1-CE 4.08Å; F122-M187 HydrophobicContact CD1-CG 3.93Å; F122-M187 HydrophobicContact CD1-SD 3.75Å; F122-M187 HydrophobicContact CE1-CE 4.25Å; F122-M187 HydrophobicContact CE1-CG 3.95Å; F122-M187 HydrophobicContact CE1-SD 3.43Å; F122-M187 WeakPolarHBondContact CE1-SD 3.23Å
123	T	94.6	Very high	95.5	Very high	40 Å²	40	45.5 Å²	45.5	25%	0.245	22%	0.217	C	C	.	.	H	α-helix	trans	-64.4	-43.7	174.5	-57.9	0	0	0	0	110.9	N118 N120 Y121 V125 T126 Y127	N118-T123 WeakPolarHBondContact ND2-CG2 3.36Å; N120-T123 PolarHBondContact ND2-OG1 3.4Å; N120-T123 WeakPolarHBondContact O-CB 3.23Å; N120-T123 PolarHBondContact O-N 3.49Å; N120-T123 VanDerWaalsContact O-N 3.13Å; Y121-T123 VanDerWaalsContact C-N 3.29Å; Y121-T123 PolarHBondContact O-N 3.27Å; T123-V125 VanDerWaalsContact C-N 3.31Å; T123-V125 PolarHBondContact O-N 2.82Å; T123-T126 PolarHBondContact O-N 3.47Å; T123-Y127 HydrophobicContact CG2-CD2 3.88Å; T123-Y127 HydrophobicContact CG2-CE2 3.52Å; T123-Y127 WeakPolarHBondContact O-CD2 3.45Å; T123-Y127 PolarHBondContact O-N 3.11Å
124	A	95.9	Very high	95.5	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-63.2	-37.8	175.4	0	0	0	0	0	111.9	Y82 N120 Y121 Y127 T128 L159	Y82-A124 HydrophobicContact CD2-CB 3.61Å; Y82-A124 HydrophobicContact CE2-CB 3.85Å; N120-A124 PolarHBondContact O-N 2.56Å; Y121-A124 WeakPolarHBondContact O-CB 3.36Å; Y121-A124 PolarHBondContact O-N 2.87Å; Y121-A124 VanDerWaalsContact O-N 3.15Å; A124-Y127 PolarHBondContact O-N 2.88Å; A124-T128 WeakPolarHBondContact O-CG2 3.27Å; A124-T128 PolarHBondContact O-N 3.02Å; A124-L159 HydrophobicContact CB-CD1 3.97Å
125	V	96.9	Very high	95.6	Very high	20 Å²	20	43.4 Å²	43.4	12%	0.121	21%	0.214	C	C	.	.	H	α-helix	trans	-59.7	-48.7	172.7	171	0	0	0	0	110.9	Y121 F122 T123 Y127 T128 L159 M187 F188	Y121-V125 HydrophobicContact CD1-CG2 3.79Å; Y121-V125 HydrophobicContact CE1-CG2 3.34Å; Y121-V125 HydrophobicContact CE2-CG2 4.35Å; Y121-V125 HydrophobicContact CG-CG2 4.46Å; Y121-V125 WeakPolarHBondContact O-CG2 3.48Å; Y121-V125 PolarHBondContact O-N 3.26Å; F122-V125 WeakPolarHBondContact O-CB 3.25Å; F122-V125 PolarHBondContact O-N 2.91Å; T123-V125 VanDerWaalsContact C-N 3.31Å; T123-V125 PolarHBondContact O-N 2.82Å; V125-Y127 VanDerWaalsContact C-N 3.33Å; V125-Y127 PolarHBondContact O-N 3.02Å; V125-T128 WeakPolarHBondContact O-CB 3.4Å; V125-T128 PolarHBondContact O-N 3.48Å; V125-T128 VanDerWaalsContact O-N 3.13Å; V125-T128 PolarHBondContact O-OG1 3.35Å; V125-L159 HydrophobicContact CG2-CD2 3.97Å; V125-M187 HydrophobicContact CG1-CB 4.12Å; V125-M187 HydrophobicContact CG1-CG 4.43Å; V125-M187 HydrophobicContact CG2-CB 4.27Å; V125-M187 HydrophobicContact CG2-CG 4.21Å; V125-F188 HydrophobicContact CG1-CE2 4.19Å; V125-F188 HydrophobicContact CG1-CZ 3.94Å; V125-F188 HydrophobicContact CG2-CE2 4.23Å
126	T	96.1	Very high	95.8	Very high	81 Å²	81	43.6 Å²	43.6	50%	0.497	22%	0.215	S	C	.	.	H	α-helix	trans	-58.6	-45.2	177.3	-59.8	0	0	0	0	111.6	F122 T123 T128 R129	F122-T126 PolarHBondContact O-N 3.48Å; F122-T126 PolarHBondContact O-OG1 3.38Å; T123-T126 PolarHBondContact O-N 3.47Å; T126-T128 PolarHBondContact O-N 2.93Å; T126-T128 VanDerWaalsContact O-N 3.16Å; T126-R129 PolarHBondContact O-N 3.19Å; T126-R129 VanDerWaalsContact O-N 3.14Å
127	Y	97.6	Very high	95.9	Very high	47 Å²	47	45.2 Å²	45.2	18%	0.184	23%	0.231	C	C	.	.	H	α-helix	trans	-64.2	-18.7	179.1	-74	-37.9	0	0	0	114.3	L40 G115 T123 A124 V125 R129 E130 A131	L40-Y127 HydrophobicContact CB-CD1 3.7Å; L40-Y127 HydrophobicContact CB-CE1 3.79Å; L40-Y127 HydrophobicContact CB-CG 4.17Å; L40-Y127 HydrophobicContact CD2-CD1 4.1Å; L40-Y127 HydrophobicContact CG-CD1 4.39Å; G115-Y127 WeakPolarHBondContact O-CD2 3.47Å; T123-Y127 HydrophobicContact CG2-CD2 3.88Å; T123-Y127 HydrophobicContact CG2-CE2 3.52Å; T123-Y127 WeakPolarHBondContact O-CD2 3.45Å; T123-Y127 PolarHBondContact O-N 3.11Å; A124-Y127 PolarHBondContact O-N 2.88Å; V125-Y127 VanDerWaalsContact C-N 3.33Å; V125-Y127 PolarHBondContact O-N 3.02Å; Y127-R129 VanDerWaalsContact C-N 3.28Å; Y127-R129 PolarHBondContact O-N 3.28Å; Y127-E130 PolarHBondContact O-N 3.18Å; Y127-A131 WeakPolarHBondContact O-CB 3.49Å; Y127-A131 PolarHBondContact O-N 3.47Å
128	T	97.8	Very high	96.2	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.006	23%	0.231	C	C	.	.	H	α-helix	trans	-59.6	-39	172.5	64.4	0	0	0	0	112.3	W112 A124 V125 T126 A132 L159	W112-T128 HydrophobicContact CH2-CG2 3.91Å; W112-T128 HydrophobicContact CZ3-CG2 4.35Å; A124-T128 WeakPolarHBondContact O-CG2 3.27Å; A124-T128 PolarHBondContact O-N 3.02Å; V125-T128 WeakPolarHBondContact O-CB 3.4Å; V125-T128 PolarHBondContact O-N 3.48Å; V125-T128 VanDerWaalsContact O-N 3.13Å; V125-T128 PolarHBondContact O-OG1 3.35Å; T126-T128 PolarHBondContact O-N 2.93Å; T126-T128 VanDerWaalsContact O-N 3.16Å; T128-A132 VanDerWaalsContact O-CB 3.28Å; T128-A132 WeakPolarHBondContact O-CB 3.44Å; T128-A132 PolarHBondContact O-N 3.27Å; T128-L159 HydrophobicContact CG2-CB 3.87Å; T128-L159 HydrophobicContact CG2-CD1 4.23Å; T128-L159 HydrophobicContact CG2-CD2 4.17Å; T128-L159 HydrophobicContact CG2-CG 4.33Å
129	R	97.3	Very high	96.5	Very high	108 Å²	108	44.4 Å²	44.4	41%	0.408	23%	0.227	S	C	.	.	H	α-helix	trans	-71.7	-43.4	179.3	-69.1	-172.1	178.5	-83.2	10.3	111.8	T126 Y127 A132 L133 F166	T126-R129 PolarHBondContact O-N 3.19Å; T126-R129 VanDerWaalsContact O-N 3.14Å; Y127-R129 VanDerWaalsContact C-N 3.28Å; Y127-R129 PolarHBondContact O-N 3.28Å; R129-A132 WeakPolarHBondContact O-CB 3.35Å; R129-A132 PolarHBondContact O-N 3.44Å; R129-L133 WeakPolarHBondContact O-CG 3.49Å; R129-L133 PolarHBondContact O-N 3.39Å; R129-F166 HydrophobicContact CG-CD2 3.9Å; R129-F166 HydrophobicContact CG-CE2 3.63Å; R129-F166 HydrophobicContact CG-CZ 4.11Å; R129-F166 VanDerWaalsContact NH1-CE1 3.3Å
130	E	98.1	Very high	97	Very high	89 Å²	89	45.6 Å²	45.6	42%	0.416	23%	0.225	S	C	.	.	H	α-helix	trans	-64.7	-42.3	177.5	-67.8	179.2	-138.9	0	0	111.6	L40 Y127 A132 L133 N134	L40-E130 HydrophobicContact CD2-CB 3.36Å; Y127-E130 PolarHBondContact O-N 3.18Å; E130-A132 VanDerWaalsContact C-N 3.33Å; E130-A132 PolarHBondContact O-N 3.02Å; E130-L133 PolarHBondContact O-N 2.98Å; E130-N134 PolarHBondContact O-N 3.44Å
131	A	98.5	Very high	97.2	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-65.5	-37	175.2	0	0	0	0	0	111.7	L40 V42 W112 Y127 N134 L135 L163	L40-A131 HydrophobicContact CD1-CB 4.15Å; L40-A131 HydrophobicContact CD2-CB 4.26Å; V42-A131 HydrophobicContact CG2-CB 3.95Å; W112-A131 HydrophobicContact CB-CB 4.35Å; Y127-A131 WeakPolarHBondContact O-CB 3.49Å; Y127-A131 PolarHBondContact O-N 3.47Å; A131-N134 PolarHBondContact O-N 2.91Å; A131-L135 WeakPolarHBondContact O-CB 3.2Å; A131-L135 PolarHBondContact O-N 2.95Å; A131-L163 HydrophobicContact CB-CD1 3.59Å; A131-L163 HydrophobicContact CB-CG 4.3Å
132	A	98.7	Very high	97.5	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-64.1	-39.7	173.1	0	0	0	0	0	112.4	T128 R129 E130 L135 T136 L163 F166 V167	T128-A132 VanDerWaalsContact O-CB 3.28Å; T128-A132 WeakPolarHBondContact O-CB 3.44Å; T128-A132 PolarHBondContact O-N 3.27Å; R129-A132 WeakPolarHBondContact O-CB 3.35Å; R129-A132 PolarHBondContact O-N 3.44Å; E130-A132 VanDerWaalsContact C-N 3.33Å; E130-A132 PolarHBondContact O-N 3.02Å; A132-L135 PolarHBondContact O-N 3.4Å; A132-T136 VanDerWaalsContact O-CB 3.27Å; A132-T136 WeakPolarHBondContact O-CB 3.4Å; A132-T136 PolarHBondContact O-N 3.41Å; A132-T136 PolarHBondContact O-OG1 2.84Å; A132-L163 HydrophobicContact CB-CD2 4.14Å; A132-L163 HydrophobicContact CB-CG 4.1Å; A132-F166 HydrophobicContact CB-CB 3.51Å; A132-F166 HydrophobicContact CB-CD2 4.38Å; A132-F166 HydrophobicContact CB-CG 4.45Å; A132-V167 HydrophobicContact CB-CG2 3.9Å
133	L	98.4	Very high	97.6	Very high	109 Å²	109	39.5 Å²	39.5	57%	0.571	20%	0.199	S	C	*	.	H	α-helix	trans	-62.5	-44.2	174.5	-72.6	171.2	0	0	0	111.6	R129 E130 T136 G137	R129-L133 WeakPolarHBondContact O-CG 3.49Å; R129-L133 PolarHBondContact O-N 3.39Å; E130-L133 PolarHBondContact O-N 2.98Å; L133-T136 WeakPolarHBondContact O-CB 3.44Å; L133-T136 PolarHBondContact O-N 3.36Å; L133-G137 PolarHBondContact O-N 3.48Å
134	N	98.1	Very high	97.6	Very high	62 Å²	62	45 Å²	45	33%	0.332	22%	0.222	S	C	.	.	H	α-helix	trans	-59.3	-50.6	175.3	173.7	-74.3	0	0	0	111.4	V42 H60 E130 A131 T136 G137 F138	V42-N134 HydrophobicContact CG2-CB 4.33Å; H60-N134 PolarHBondContact CD2-OD1 2.8Å; H60-N134 PolarHBondContact NE2-OD1 2.91Å; E130-N134 PolarHBondContact O-N 3.44Å; A131-N134 PolarHBondContact O-N 2.91Å; N134-T136 VanDerWaalsContact C-N 3.34Å; N134-T136 PolarHBondContact O-N 3Å; N134-G137 PolarHBondContact O-N 3.05Å; N134-G137 VanDerWaalsContact O-N 3.16Å; N134-F138 PolarHBondContact O-N 3.16Å
135	L	98.6	Very high	97.6	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-65.7	-35.3	179.3	-177.2	56.7	0	0	0	112.6	L44 F77 I79 V110 A131 A132 G137 F138 I139 L163 V167	L44-L135 HydrophobicContact CD2-CD1 4.02Å; F77-L135 HydrophobicContact CD1-CD1 3.86Å; F77-L135 HydrophobicContact CE1-CD1 3.73Å; I79-L135 HydrophobicContact CD1-CD2 3.78Å; V110-L135 HydrophobicContact CG1-CD2 4.28Å; V110-L135 HydrophobicContact CG2-CD1 4.23Å; V110-L135 HydrophobicContact CG2-CD2 3.89Å; A131-L135 WeakPolarHBondContact O-CB 3.2Å; A131-L135 PolarHBondContact O-N 2.95Å; A132-L135 PolarHBondContact O-N 3.4Å; L135-G137 VanDerWaalsContact C-N 3.32Å; L135-G137 PolarHBondContact O-N 3.37Å; L135-F138 HydrophobicContact CD1-CD1 4.34Å; L135-F138 PolarHBondContact O-N 2.84Å; L135-I139 HydrophobicContact CD1-CD1 4.21Å; L135-I139 HydrophobicContact CD1-CG1 4.39Å; L135-I139 HydrophobicContact CG-CD1 4.02Å; L135-I139 WeakPolarHBondContact O-CG1 3.43Å; L135-I139 PolarHBondContact O-N 3.43Å; L135-L163 HydrophobicContact CD2-CD2 3.89Å; L135-V167 HydrophobicContact CB-CG2 4.04Å; L135-V167 HydrophobicContact CD2-CG2 4Å; L135-V167 HydrophobicContact CG-CG2 4.07Å
136	T	98.7	Very high	97.6	Very high	4 Å²	4	51.7 Å²	51.7	3%	0.025	27%	0.268	C	S	.	.	H	α-helix	trans	-59.3	-45	172.7	-60	0	0	0	0	110.7	A132 L133 N134 F138 I139 R140 N170 L171	A132-T136 VanDerWaalsContact O-CB 3.27Å; A132-T136 WeakPolarHBondContact O-CB 3.4Å; A132-T136 PolarHBondContact O-N 3.41Å; A132-T136 PolarHBondContact O-OG1 2.84Å; L133-T136 WeakPolarHBondContact O-CB 3.44Å; L133-T136 PolarHBondContact O-N 3.36Å; N134-T136 VanDerWaalsContact C-N 3.34Å; N134-T136 PolarHBondContact O-N 3Å; T136-F138 VanDerWaalsContact C-N 3.33Å; T136-F138 PolarHBondContact O-N 2.9Å; T136-I139 PolarHBondContact O-N 2.81Å; T136-R140 WeakPolarHBondContact O-CG 3.28Å; T136-R140 PolarHBondContact O-N 3.41Å; T136-N170 HydrophobicContact CG2-CB 3.63Å; T136-N170 PolarHBondContact OG1-ND2 2.78Å; T136-L171 HydrophobicContact CG2-CD2 4.04Å; T136-L171 HydrophobicContact CG2-CG 4.22Å
137	G	98.1	Very high	97.6	Very high	33 Å²	33	48.2 Å²	48.2	34%	0.34	25%	0.247	S	C	.	.	H	α-helix	trans	-58.2	-45.9	177.5	0	0	0	0	0	111.9	L133 N134 L135 R140 T141	L133-G137 PolarHBondContact O-N 3.48Å; N134-G137 PolarHBondContact O-N 3.05Å; N134-G137 VanDerWaalsContact O-N 3.16Å; L135-G137 VanDerWaalsContact C-N 3.32Å; L135-G137 PolarHBondContact O-N 3.37Å; G137-R140 PolarHBondContact O-N 3.44Å; G137-T141 PolarHBondContact O-N 3.37Å; G137-T141 VanDerWaalsContact O-N 3.11Å; G137-T141 PolarHBondContact O-OG1 3.3Å
138	F	98.2	Very high	97.6	Very high	1 Å²	1	48.7 Å²	48.7	0%	0.004	26%	0.257	C	S	.	.	H	α-helix	trans	-60.6	-47.8	176	177.6	-102.8	0	0	0	112.8	L44 V58 L63 F77 I108 N134 L135 T136 R140 T141 M142	L44-F138 HydrophobicContact CD1-CB 4.02Å; L44-F138 HydrophobicContact CD1-CD1 3.56Å; L44-F138 HydrophobicContact CD1-CD2 3.46Å; L44-F138 VanDerWaalsContact CD1-CD2 3.46Å; L44-F138 HydrophobicContact CD1-CE1 3.77Å; L44-F138 HydrophobicContact CD1-CE2 3.64Å; L44-F138 HydrophobicContact CD1-CG 3.38Å; L44-F138 HydrophobicContact CD1-CZ 3.81Å; V58-F138 HydrophobicContact CB-CE2 4.4Å; V58-F138 HydrophobicContact CB-CZ 4.43Å; V58-F138 HydrophobicContact CG1-CE2 3.73Å; V58-F138 HydrophobicContact CG1-CZ 3.9Å; L63-F138 HydrophobicContact CD2-CD2 3.86Å; L63-F138 HydrophobicContact CD2-CE2 3.17Å; L63-F138 HydrophobicContact CD2-CZ 3.77Å; F77-F138 AromaticContact CE1-CD1 3.98Å; F77-F138 HydrophobicContact CE1-CD1 3.98Å; F77-F138 AromaticContact CE1-CE1 3.82Å; F77-F138 HydrophobicContact CE1-CE1 3.82Å; F77-F138 HydrophobicContact CZ-CD1 4.12Å; F77-F138 AromaticContact CZ-CE1 3.9Å; F77-F138 HydrophobicContact CZ-CE1 3.9Å; I108-F138 HydrophobicContact CD1-CE1 3.88Å; I108-F138 HydrophobicContact CD1-CZ 4.17Å; N134-F138 PolarHBondContact O-N 3.16Å; L135-F138 HydrophobicContact CD1-CD1 4.34Å; L135-F138 PolarHBondContact O-N 2.84Å; T136-F138 VanDerWaalsContact C-N 3.33Å; T136-F138 PolarHBondContact O-N 2.9Å; F138-R140 VanDerWaalsContact C-N 3.3Å; F138-R140 PolarHBondContact O-N 2.93Å; F138-T141 WeakPolarHBondContact O-CB 3.46Å; F138-T141 PolarHBondContact O-N 3.05Å; F138-T141 VanDerWaalsContact O-N 3.16Å; F138-M142 HydrophobicContact CD1-CG 4.33Å; F138-M142 HydrophobicContact CD1-SD 3.86Å; F138-M142 HydrophobicContact CE1-CG 3.97Å; F138-M142 HydrophobicContact CE1-SD 3.3Å; F138-M142 WeakPolarHBondContact CE1-SD 3.44Å; F138-M142 HydrophobicContact CZ-CG 4.21Å; F138-M142 HydrophobicContact CZ-SD 3.94Å; F138-M142 PolarHBondContact O-N 3.36Å
139	I	98.4	Very high	97.7	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-64.5	-35.4	-180	-70.2	167.8	0	0	0	111.5	F77 L135 T136 M142 E143 L149 I152 L154 V167 L171 I175	F77-I139 HydrophobicContact CE1-CG1 4.41Å; F77-I139 HydrophobicContact CE2-CD1 4.11Å; F77-I139 HydrophobicContact CE2-CG1 4.08Å; F77-I139 HydrophobicContact CZ-CD1 4.14Å; F77-I139 HydrophobicContact CZ-CG1 3.76Å; L135-I139 HydrophobicContact CD1-CD1 4.21Å; L135-I139 HydrophobicContact CD1-CG1 4.39Å; L135-I139 HydrophobicContact CG-CD1 4.02Å; L135-I139 WeakPolarHBondContact O-CG1 3.43Å; L135-I139 PolarHBondContact O-N 3.43Å; T136-I139 PolarHBondContact O-N 2.81Å; I139-M142 WeakPolarHBondContact O-CB 3.2Å; I139-M142 PolarHBondContact O-N 2.79Å; I139-E143 PolarHBondContact O-N 3.22Å; I139-L149 HydrophobicContact CG2-CD2 3.47Å; I139-L149 VanDerWaalsContact CG2-CD2 3.47Å; I139-I152 HydrophobicContact CG2-CD1 3.59Å; I139-L154 HydrophobicContact CD1-CD2 4.18Å; I139-V167 HydrophobicContact CD1-CG1 3.63Å; I139-L171 HydrophobicContact CB-CD1 4.24Å; I139-L171 HydrophobicContact CG2-CD1 3.58Å; I139-I175 HydrophobicContact CG2-CD1 4.35Å
140	R	97.8	Very high	97.7	Very high	118 Å²	118	47.2 Å²	47.2	45%	0.445	26%	0.263	S	S	.	.	H	α-helix	trans	-62.9	-43	172.5	-75	-178.6	179.9	169.2	2.6	111.9	T136 G137 F138 M142 E143 E144 N170 L171	T136-R140 WeakPolarHBondContact O-CG 3.28Å; T136-R140 PolarHBondContact O-N 3.41Å; G137-R140 PolarHBondContact O-N 3.44Å; F138-R140 VanDerWaalsContact C-N 3.3Å; F138-R140 PolarHBondContact O-N 2.93Å; R140-M142 VanDerWaalsContact C-N 3.29Å; R140-M142 PolarHBondContact O-N 2.87Å; R140-E143 PolarHBondContact O-N 2.97Å; R140-E144 WeakPolarHBondContact O-CB 3.34Å; R140-E144 VanDerWaalsContact O-CG 3.29Å; R140-E144 WeakPolarHBondContact O-CG 3.4Å; R140-E144 PolarHBondContact O-N 2.85Å; R140-N170 PolarHBondContact NH2-O 3.19Å; R140-L171 HydrophobicContact CG-CD2 3.77Å
141	T	96.8	Very high	97.6	Very high	27 Å²	27	44.8 Å²	44.8	17%	0.166	26%	0.256	C	S	.	.	H	α-helix	trans	-61	-39.6	173.8	-57	0	0	0	0	111.4	L63 G137 F138 E143 E144 E145	L63-T141 HydrophobicContact CD1-CG2 3.92Å; L63-T141 HydrophobicContact CG-CG2 4.03Å; G137-T141 PolarHBondContact O-N 3.37Å; G137-T141 VanDerWaalsContact O-N 3.11Å; G137-T141 PolarHBondContact O-OG1 3.3Å; F138-T141 WeakPolarHBondContact O-CB 3.46Å; F138-T141 PolarHBondContact O-N 3.05Å; F138-T141 VanDerWaalsContact O-N 3.16Å; T141-E143 PolarHBondContact O-N 2.8Å; T141-E144 PolarHBondContact O-N 2.99Å; T141-E145 WeakPolarHBondContact O-CB 3.37Å; T141-E145 WeakPolarHBondContact O-CG 3.38Å; T141-E145 PolarHBondContact O-N 2.92Å
142	M	97.4	Very high	97.6	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-61.2	-44	173.5	-66.2	-179.7	69.6	0	0	112.2	L63 L71 T75 F77 F138 I139 R140 E145 G146 A147	L63-M142 HydrophobicContact CD1-CB 4.27Å; L63-M142 HydrophobicContact CD1-CG 3.78Å; L63-M142 HydrophobicContact CD2-CG 4.45Å; L71-M142 HydrophobicContact CD2-CB 4.2Å; L71-M142 HydrophobicContact CD2-CE 3.61Å; L71-M142 HydrophobicContact CD2-CG 4.07Å; T75-M142 HydrophobicContact CG2-CE 4.15Å; F77-M142 HydrophobicContact CZ-SD 3.82Å; F138-M142 HydrophobicContact CD1-CG 4.33Å; F138-M142 HydrophobicContact CD1-SD 3.86Å; F138-M142 HydrophobicContact CE1-CG 3.97Å; F138-M142 HydrophobicContact CE1-SD 3.3Å; F138-M142 WeakPolarHBondContact CE1-SD 3.44Å; F138-M142 HydrophobicContact CZ-CG 4.21Å; F138-M142 HydrophobicContact CZ-SD 3.94Å; F138-M142 PolarHBondContact O-N 3.36Å; I139-M142 WeakPolarHBondContact O-CB 3.2Å; I139-M142 PolarHBondContact O-N 2.79Å; R140-M142 VanDerWaalsContact C-N 3.29Å; R140-M142 PolarHBondContact O-N 2.87Å; M142-E145 CarbonylContact O-C 3.56Å; M142-E145 PolarHBondContact O-N 3.49Å; M142-G146 PolarHBondContact O-N 2.93Å; M142-G146 VanDerWaalsContact O-N 3.15Å; M142-A147 HydrophobicContact CB-CB 3.87Å; M142-A147 HydrophobicContact CE-CB 4.38Å; M142-A147 WeakPolarHBondContact O-CB 3.44Å; M142-A147 PolarHBondContact O-N 3.1Å
143	E	97	Very high	97.6	Very high	90 Å²	90	45.3 Å²	45.3	42%	0.421	26%	0.258	S	S	.	.	H	α-helix	trans	-62.8	-45.5	177.6	-178.7	179.4	-148.3	0	0	111.8	I139 R140 T141 E145 G146 A147 L149	I139-E143 PolarHBondContact O-N 3.22Å; R140-E143 PolarHBondContact O-N 2.97Å; T141-E143 PolarHBondContact O-N 2.8Å; E143-E145 PolarHBondContact O-N 2.75Å; E143-G146 PolarHBondContact O-N 3.46Å; E143-A147 WeakPolarHBondContact CA-O 3.42Å; E143-L149 HydrophobicContact CB-CD2 4.04Å; E143-L149 HydrophobicContact CB-CG 4.41Å; E143-L149 HydrophobicContact CG-CD2 4.36Å; E143-L149 HydrophobicContact CG-CG 4.17Å; E143-L149 VanDerWaalsContact OE1-CD1 3.24Å; E143-L149 WeakPolarHBondContact OE1-CD1 3.45Å; E143-L149 WeakPolarHBondContact OE1-CG 3Å
144	E	96.1	Very high	97.6	Very high	156 Å²	156	40.1 Å²	40.1	73%	0.729	23%	0.231	S	C	*	.	H	α-helix	trans	-59.9	-34.8	175.8	-72.3	168.1	-175.8	0	0	112.2	R140 T141 G146	R140-E144 WeakPolarHBondContact O-CB 3.34Å; R140-E144 VanDerWaalsContact O-CG 3.29Å; R140-E144 WeakPolarHBondContact O-CG 3.4Å; R140-E144 PolarHBondContact O-N 2.85Å; T141-E144 PolarHBondContact O-N 2.99Å; E144-G146 VanDerWaalsContact C-N 3.3Å
145	E	95.3	Very high	97.7	Very high	99 Å²	99	37.2 Å²	37.2	46%	0.463	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86	5.1	175.2	-68.4	-170.9	-153.7	0	0	113.8	L63 L71 T141 M142 E143	L63-E145 HydrophobicContact CD1-CB 4.37Å; L63-E145 HydrophobicContact CD1-CG 4.36Å; L71-E145 HydrophobicContact CD1-CB 3.39Å; T141-E145 WeakPolarHBondContact O-CB 3.37Å; T141-E145 WeakPolarHBondContact O-CG 3.38Å; T141-E145 PolarHBondContact O-N 2.92Å; M142-E145 CarbonylContact O-C 3.56Å; M142-E145 PolarHBondContact O-N 3.49Å; E143-E145 PolarHBondContact O-N 2.75Å
146	G	95.7	Very high	97.7	Very high	60 Å²	60	37.2 Å²	37.2	62%	0.619	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	107.2	7.3	167.4	0	0	0	0	0	116.5	M142 E143 E144	M142-G146 PolarHBondContact O-N 2.93Å; M142-G146 VanDerWaalsContact O-N 3.15Å; E143-G146 PolarHBondContact O-N 3.46Å; E144-G146 VanDerWaalsContact C-N 3.3Å
147	A	97.1	Very high	97.7	Very high	8 Å²	8	37.6 Å²	37.6	7%	0.066	22%	0.218	C	C	.	.			trans	-69.1	146.6	170	0	0	0	0	0	111.1	L71 M142 E143	L71-A147 HydrophobicContact CB-CB 4.15Å; L71-A147 HydrophobicContact CD2-CB 4.37Å; M142-A147 HydrophobicContact CB-CB 3.87Å; M142-A147 HydrophobicContact CE-CB 4.38Å; M142-A147 WeakPolarHBondContact O-CB 3.44Å; M142-A147 PolarHBondContact O-N 3.1Å; E143-A147 WeakPolarHBondContact CA-O 3.42Å
148	S	98.1	Very high	97.7	Very high	57 Å²	57	36.5 Å²	36.5	40%	0.399	21%	0.205	S	C	.	.			trans	-91.6	125.2	173.2	-172	0	0	0	0	110.9	S150 S151	S148-S150 PolarHBondContact O-N 3.39Å; S148-S150 PolarHBondContact OG-N 3.22Å; S148-S150 PolarHBondContact OG-OG 3.31Å; S148-S151 PolarHBondContact O-N 2.81Å; S148-S151 PolarHBondContact O-OG 3.14Å
149	L	98.5	Very high	97.7	Very high	12 Å²	12	36.5 Å²	36.5	6%	0.063	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-58.8	-30.8	173.2	-62.3	-173.7	0	0	0	112.5	I139 E143 S151 I152 L171 A174 I175 G176	I139-L149 HydrophobicContact CG2-CD2 3.47Å; I139-L149 VanDerWaalsContact CG2-CD2 3.47Å; E143-L149 HydrophobicContact CB-CD2 4.04Å; E143-L149 HydrophobicContact CB-CG 4.41Å; E143-L149 HydrophobicContact CG-CD2 4.36Å; E143-L149 HydrophobicContact CG-CG 4.17Å; E143-L149 VanDerWaalsContact OE1-CD1 3.24Å; E143-L149 WeakPolarHBondContact OE1-CD1 3.45Å; E143-L149 WeakPolarHBondContact OE1-CG 3Å; L149-S151 PolarHBondContact O-N 3.17Å; L149-I152 HydrophobicContact CD2-CD1 3.89Å; L149-I152 WeakPolarHBondContact O-CB 3.22Å; L149-I152 PolarHBondContact O-N 2.97Å; L149-I152 VanDerWaalsContact O-N 3.11Å; L149-L171 HydrophobicContact CD2-CD1 4.4Å; L149-A174 CarbonylContact C-O 3.57Å; L149-A174 HydrophobicContact CB-CB 4.3Å; L149-A174 WeakPolarHBondContact CB-O 3.28Å; L149-A174 HydrophobicContact CD1-CB 3.64Å; L149-I175 HydrophobicContact CD2-CD1 4.38Å; L149-G176 PolarHBondContact O-N 3.36Å
150	S	97.6	Very high	97.7	Very high	67 Å²	67	36.5 Å²	36.5	47%	0.469	21%	0.205	S	C	.	.	G	3₁₀ helix	trans	-68.8	-16.5	177.8	73.4	0	0	0	0	114.1	S148 G176	S148-S150 PolarHBondContact O-N 3.39Å; S148-S150 PolarHBondContact OG-N 3.22Å; S148-S150 PolarHBondContact OG-OG 3.31Å; S150-G176 WeakPolarHBondContact O-CA 3.3Å
151	S	96.8	Very high	97.7	Very high	38 Å²	38	30.9 Å²	30.9	27%	0.266	18%	0.184	S	C	.	.	G	3₁₀ helix	trans	-97.7	6.9	173.6	68.5	0	0	0	0	113.4	T75 S148 L149	T75-S151 PolarHBondContact N-O 2.74Å; T75-S151 VanDerWaalsContact N-O 3.11Å; S148-S151 PolarHBondContact O-N 2.81Å; S148-S151 PolarHBondContact O-OG 3.14Å; L149-S151 PolarHBondContact O-N 3.17Å
152	I	98.5	Very high	97.8	Very high	2 Å²	2	29.6 Å²	29.6	1%	0.01	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	133.3	175.3	-62.7	178.5	0	0	0	110.6	T75 F77 I139 L149 L154 I175 G176 R177	T75-I152 WeakPolarHBondContact O-CA 3.41Å; F77-I152 HydrophobicContact CD2-CG2 3.74Å; F77-I152 HydrophobicContact CE2-CD1 4.46Å; F77-I152 HydrophobicContact CE2-CG2 3.73Å; I139-I152 HydrophobicContact CG2-CD1 3.59Å; L149-I152 HydrophobicContact CD2-CD1 3.89Å; L149-I152 WeakPolarHBondContact O-CB 3.22Å; L149-I152 PolarHBondContact O-N 2.97Å; L149-I152 VanDerWaalsContact O-N 3.11Å; I152-L154 HydrophobicContact CG2-CD2 3.76Å; I152-L154 HydrophobicContact CG2-CG 4.32Å; I152-I175 HydrophobicContact CB-CD1 4.05Å; I152-I175 HydrophobicContact CD1-CD1 4.27Å; I152-I175 HydrophobicContact CG2-CD1 3.88Å; I152-I175 HydrophobicContact CG2-CG2 4.45Å; I152-G176 PolarHBondContact O-N 3.36Å; I152-R177 PolarHBondContact O-N 3.33Å; I152-R177 VanDerWaalsContact O-N 3.1Å
153	H	98.5	Very high	97.9	Very high	9 Å²	9	29.6 Å²	29.6	4%	0.042	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	116.3	172.7	-177.3	-170.2	0	0	0	110.3	T75 A76 F77 I155 R177 T179	T75-H153 PolarHBondContact O-N 3.34Å; A76-H153 CarbonylContact C-O 3.58Å; A76-H153 VanDerWaalsContact CA-O 3.28Å; A76-H153 WeakPolarHBondContact CA-O 2.98Å; F77-H153 PolarHBondContact N-O 3.13Å; H153-I155 VanDerWaalsContact CE1-CG1 3.5Å; H153-I155 WeakPolarHBondContact CE1-CG1 3.31Å; H153-I155 WeakPolarHBondContact NE2-CG1 3.45Å; H153-R177 CarbonylContact C-O 3.55Å; H153-R177 WeakPolarHBondContact CA-O 2.93Å; H153-R177 HydrophobicContact CB-CB 4.43Å; H153-R177 PolarHBondContact CD2-O 2.87Å; H153-T179 PolarHBondContact NE2-OG1 3.49Å
154	L	98.9	Very high	98	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	123.4	173.2	-48.3	178	0	0	0	109.8	F77 I139 I152 A164 V167 I175 R177 I178 T179	F77-L154 HydrophobicContact CB-CD2 3.65Å; F77-L154 HydrophobicContact CD2-CD2 3.52Å; F77-L154 HydrophobicContact CE2-CD2 4.38Å; F77-L154 HydrophobicContact CG-CD2 3.78Å; I139-L154 HydrophobicContact CD1-CD2 4.18Å; I152-L154 HydrophobicContact CG2-CD2 3.76Å; I152-L154 HydrophobicContact CG2-CG 4.32Å; L154-A164 HydrophobicContact CB-CB 3.81Å; L154-A164 HydrophobicContact CD1-CB 4.17Å; L154-V167 HydrophobicContact CD1-CB 3.93Å; L154-V167 HydrophobicContact CD1-CG1 3.72Å; L154-I175 HydrophobicContact CD1-CG1 4.34Å; L154-I175 HydrophobicContact CD1-CG2 4.2Å; L154-I175 HydrophobicContact CG-CG2 4.06Å; L154-R177 PolarHBondContact N-O 2.79Å; L154-I178 HydrophobicContact CB-CG1 4.14Å; L154-I178 HydrophobicContact CD1-CD1 4.49Å; L154-I178 HydrophobicContact CD1-CG1 4.21Å; L154-I178 HydrophobicContact CG-CG1 4.43Å; L154-I178 CarbonylContact O-C 3.55Å; L154-I178 VanDerWaalsContact O-CA 3.3Å; L154-I178 WeakPolarHBondContact O-CA 3.26Å; L154-T179 PolarHBondContact O-N 3.47Å
155	I	98.9	Very high	98.1	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	103.6	177.9	-57.8	162.5	0	0	0	107.5	F77 I79 I95 L99 H153 T179 L181 F259	F77-I155 PolarHBondContact O-N 3.03Å; I79-I155 PolarHBondContact N-O 3.38Å; I95-I155 HydrophobicContact CD1-CG2 4.32Å; L99-I155 HydrophobicContact CD1-CD1 3.75Å; L99-I155 HydrophobicContact CD2-CD1 3.86Å; L99-I155 HydrophobicContact CG-CD1 4.45Å; H153-I155 VanDerWaalsContact CE1-CG1 3.5Å; H153-I155 WeakPolarHBondContact CE1-CG1 3.31Å; H153-I155 WeakPolarHBondContact NE2-CG1 3.45Å; I155-T179 WeakPolarHBondContact CA-O 3.43Å; I155-L181 HydrophobicContact CG2-CD1 3.92Å; I155-L181 HydrophobicContact CG2-CG 4.37Å; I155-F259 HydrophobicContact CD1-CE1 4.15Å; I155-F259 HydrophobicContact CD1-CZ 4.25Å; I155-F259 HydrophobicContact CG2-CE1 4.04Å; I155-F259 HydrophobicContact CG2-CZ 4.45Å
156	G	98.8	Very high	98.3	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	132.5	-176	0	0	0	0	0	112.4	I79 G160 T179 L181	I79-G156 WeakPolarHBondContact O-CA 3.35Å; G156-G160 VanDerWaalsContact CA-C 3.49Å; G156-G160 WeakPolarHBondContact CA-O 3.42Å; G156-T179 PolarHBondContact N-O 3.34Å; G156-L181 PolarHBondContact O-N 3.5Å
157	V	98.6	Very high	98.5	Very high	12 Å²	12	10.7 Å²	10.7	7%	0.073	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	131.3	175.7	-174	0	0	0	0	109.6	I79 G81 W91 L159 G160 L181 V256	I79-V157 PolarHBondContact O-N 2.57Å; G81-V157 VanDerWaalsContact CA-O 3.26Å; G81-V157 WeakPolarHBondContact CA-O 3.5Å; G81-V157 PolarHBondContact N-O 2.83Å; W91-V157 HydrophobicContact CH2-CG2 3.75Å; W91-V157 HydrophobicContact CZ2-CB 4.28Å; W91-V157 HydrophobicContact CZ2-CG2 3.79Å; V157-L159 PolarHBondContact O-N 2.92Å; V157-G160 WeakPolarHBondContact O-CA 3.3Å; V157-G160 PolarHBondContact O-N 3.28Å; V157-L181 WeakPolarHBondContact CA-O 3.42Å; V157-L181 HydrophobicContact CG2-CB 4.13Å; V157-L181 HydrophobicContact CG2-CD1 4.05Å; V157-V256 HydrophobicContact CB-CG2 4.5Å; V157-V256 HydrophobicContact CG1-CG2 3.7Å; V157-V256 HydrophobicContact CG2-CG2 3.9Å
158	S	98.1	Very high	98.5	Very high	11 Å²	11	10.3 Å²	10.3	8%	0.077	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.9	-124.6	175.1	-171.2	0	0	0	0	111.7	G160 A161 L181 D182 A184 H252	S158-G160 PolarHBondContact O-N 3.21Å; S158-A161 VanDerWaalsContact O-CB 3.27Å; S158-A161 WeakPolarHBondContact O-CB 3.37Å; S158-A161 PolarHBondContact O-N 2.8Å; S158-L181 PolarHBondContact N-O 2.97Å; S158-D182 WeakPolarHBondContact CA-O 3.49Å; S158-D182 PolarHBondContact N-O 2.02Å; S158-A184 PolarHBondContact O-N 3.39Å; S158-H252 WeakPolarHBondContact CB-NE2 3.26Å; S158-H252 PolarHBondContact OG-CE1 2.98Å; S158-H252 PolarHBondContact OG-NE2 3.46Å
159	L	98.6	Very high	98.6	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-54.5	-30.7	171.1	-73.3	-175.4	0	0	0	113.6	Y82 W112 Y121 A124 V125 T128 V157 A161 H162 L163 A184 F188	Y82-L159 HydrophobicContact CD2-CD1 4.41Å; Y82-L159 HydrophobicContact CG-CD1 4.45Å; W112-L159 HydrophobicContact CH2-CB 4.12Å; W112-L159 HydrophobicContact CH2-CD1 4.01Å; W112-L159 HydrophobicContact CZ2-CB 4.09Å; Y121-L159 HydrophobicContact CE2-CD1 4.08Å; Y121-L159 HydrophobicContact CE2-CD2 4.23Å; Y121-L159 HydrophobicContact CE2-CG 4.28Å; Y121-L159 WeakPolarHBondContact OH-CD2 3.29Å; A124-L159 HydrophobicContact CB-CD1 3.97Å; V125-L159 HydrophobicContact CG2-CD2 3.97Å; T128-L159 HydrophobicContact CG2-CB 3.87Å; T128-L159 HydrophobicContact CG2-CD1 4.23Å; T128-L159 HydrophobicContact CG2-CD2 4.17Å; T128-L159 HydrophobicContact CG2-CG 4.33Å; V157-L159 PolarHBondContact O-N 2.92Å; L159-A161 PolarHBondContact O-N 3.4Å; L159-H162 PolarHBondContact O-N 2.73Å; L159-H162 VanDerWaalsContact O-N 3.16Å; L159-L163 PolarHBondContact O-N 2.9Å; L159-L163 VanDerWaalsContact O-N 3.09Å; L159-A184 HydrophobicContact CD2-CB 3.9Å; L159-A184 HydrophobicContact CG-CB 4.32Å; L159-F188 HydrophobicContact CD2-CD2 4.49Å; L159-F188 HydrophobicContact CD2-CE2 3.53Å; L159-F188 HydrophobicContact CD2-CZ 4.17Å
160	G	98.8	Very high	98.6	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-63.9	-24.5	176.6	0	0	0	0	0	113.2	H80 G156 V157 S158 A164	H80-G160 WeakPolarHBondContact O-CA 3.26Å; G156-G160 VanDerWaalsContact CA-C 3.49Å; G156-G160 WeakPolarHBondContact CA-O 3.42Å; V157-G160 WeakPolarHBondContact O-CA 3.3Å; V157-G160 PolarHBondContact O-N 3.28Å; S158-G160 PolarHBondContact O-N 3.21Å; G160-A164 WeakPolarHBondContact O-CB 3.38Å; G160-A164 PolarHBondContact O-N 3.37Å
161	A	98.8	Very high	98.6	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-68.1	-38	174.1	0	0	0	0	0	111.9	S158 L159 A164 G165 P183 L197	S158-A161 VanDerWaalsContact O-CB 3.27Å; S158-A161 WeakPolarHBondContact O-CB 3.37Å; S158-A161 PolarHBondContact O-N 2.8Å; L159-A161 PolarHBondContact O-N 3.4Å; A161-A164 PolarHBondContact O-N 3.5Å; A161-G165 PolarHBondContact O-N 2.67Å; A161-P183 HydrophobicContact CB-CB 3.73Å; A161-P183 HydrophobicContact CB-CG 3.83Å; A161-L197 HydrophobicContact CB-CD2 4.31Å
162	H	98.9	Very high	98.7	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-73	-38.5	174.3	-61.5	-45.1	0	0	0	112	L159 A164 G165 F166 A184 F188 L197	L159-H162 PolarHBondContact O-N 2.73Å; L159-H162 VanDerWaalsContact O-N 3.16Å; H162-A164 VanDerWaalsContact C-N 3.29Å; H162-A164 PolarHBondContact O-N 3.34Å; H162-G165 PolarHBondContact O-N 2.83Å; H162-G165 VanDerWaalsContact O-N 3.14Å; H162-F166 HydrophobicContact CB-CE2 4.1Å; H162-F166 HydrophobicContact CB-CZ 4.35Å; H162-F166 WeakPolarHBondContact O-CD2 3.47Å; H162-F166 WeakPolarHBondContact O-CG 3.49Å; H162-F166 PolarHBondContact O-N 2.99Å; H162-A184 PolarHBondContact NE2-N 3.33Å; H162-A184 PolarHBondContact NE2-O 2.86Å; H162-F188 HydrophobicContact CB-CD1 4.32Å; H162-F188 HydrophobicContact CB-CE1 3.78Å; H162-F188 HydrophobicContact CB-CZ 3.93Å; H162-F188 AromaticContact CD2-CD1 3.64Å; H162-F188 AromaticContact CD2-CD2 3.31Å; H162-F188 WeakPolarHBondContact CD2-CD2 3.46Å; H162-F188 AromaticContact CD2-CE1 3.7Å; H162-F188 AromaticContact CD2-CE2 3.41Å; H162-F188 VanDerWaalsContact CD2-CE2 3.41Å; H162-F188 WeakPolarHBondContact CD2-CE2 3.46Å; H162-F188 AromaticContact CD2-CG 3.43Å; H162-F188 VanDerWaalsContact CD2-CG 3.43Å; H162-F188 WeakPolarHBondContact CD2-CG 3.2Å; H162-F188 AromaticContact CD2-CZ 3.59Å; H162-F188 AromaticContact CE1-CG 3.96Å; H162-F188 AromaticContact CG-CD1 3.68Å; H162-F188 AromaticContact CG-CE1 3.61Å; H162-F188 AromaticContact CG-CG 3.95Å; H162-F188 AromaticContact CG-CZ 3.85Å; H162-F188 AromaticContact ND1-CD1 4Å; H162-F188 AromaticContact NE2-CD1 3.97Å; H162-F188 AromaticContact NE2-CD2 3.58Å; H162-F188 AromaticContact NE2-CG 3.47Å; H162-F188 WeakPolarHBondContact NE2-CG 3.25Å; H162-L197 PolarHBondContact ND1-N 3.28Å
163	L	98.8	Very high	98.7	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-56	-46.6	170.9	-167.8	169.2	0	0	0	110.5	I79 W112 A131 A132 L135 L159 G165 F166 V167	I79-L163 HydrophobicContact CD1-CD2 3.96Å; I79-L163 HydrophobicContact CG2-CB 4.31Å; I79-L163 HydrophobicContact CG2-CD1 3.84Å; I79-L163 HydrophobicContact CG2-CD2 4.09Å; I79-L163 HydrophobicContact CG2-CG 4.31Å; W112-L163 HydrophobicContact CD2-CD1 4.26Å; W112-L163 HydrophobicContact CG-CD1 4.28Å; A131-L163 HydrophobicContact CB-CD1 3.59Å; A131-L163 HydrophobicContact CB-CG 4.3Å; A132-L163 HydrophobicContact CB-CD2 4.14Å; A132-L163 HydrophobicContact CB-CG 4.1Å; L135-L163 HydrophobicContact CD2-CD2 3.89Å; L159-L163 PolarHBondContact O-N 2.9Å; L159-L163 VanDerWaalsContact O-N 3.09Å; L163-G165 PolarHBondContact O-N 2.89Å; L163-F166 PolarHBondContact O-N 3.44Å; L163-V167 HydrophobicContact CD2-CG2 4.03Å; L163-V167 WeakPolarHBondContact O-CG2 3.37Å; L163-V167 PolarHBondContact O-N 3.1Å
164	A	98.9	Very high	98.7	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-59.4	-45	174	0	0	0	0	0	112.6	I79 L154 G160 A161 H162 V167 G168 I178	I79-A164 HydrophobicContact CD1-CB 4.11Å; L154-A164 HydrophobicContact CB-CB 3.81Å; L154-A164 HydrophobicContact CD1-CB 4.17Å; G160-A164 WeakPolarHBondContact O-CB 3.38Å; G160-A164 PolarHBondContact O-N 3.37Å; A161-A164 PolarHBondContact O-N 3.5Å; H162-A164 VanDerWaalsContact C-N 3.29Å; H162-A164 PolarHBondContact O-N 3.34Å; A164-V167 PolarHBondContact O-N 3.45Å; A164-G168 PolarHBondContact O-N 2.99Å; A164-I178 HydrophobicContact CB-CG2 3.98Å
165	G	98.8	Very high	98.7	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-57.4	-48.8	174.9	0	0	0	0	0	112.4	A161 H162 L163 V167 G168 A169 D201	A161-G165 PolarHBondContact O-N 2.67Å; H162-G165 PolarHBondContact O-N 2.83Å; H162-G165 VanDerWaalsContact O-N 3.14Å; L163-G165 PolarHBondContact O-N 2.89Å; G165-V167 VanDerWaalsContact C-N 3.33Å; G165-V167 PolarHBondContact O-N 2.96Å; G165-G168 CarbonylContact O-C 3.54Å; G165-G168 WeakPolarHBondContact O-CA 3.34Å; G165-G168 PolarHBondContact O-N 3.03Å; G165-A169 PolarHBondContact O-N 3.23Å; G165-D201 WeakPolarHBondContact CA-OD2 3.44Å; G165-D201 VanDerWaalsContact O-CG 3.3Å
166	F	98.9	Very high	98.6	Very high	8 Å²	8	19 Å²	19	4%	0.035	11%	0.108	C	C	.	.	H	α-helix	trans	-60.7	-38.9	177.3	-62.1	-34	0	0	0	113.3	R129 A132 H162 L163 G168 N170 F188 E195	R129-F166 HydrophobicContact CG-CD2 3.9Å; R129-F166 HydrophobicContact CG-CE2 3.63Å; R129-F166 HydrophobicContact CG-CZ 4.11Å; R129-F166 VanDerWaalsContact NH1-CE1 3.3Å; A132-F166 HydrophobicContact CB-CB 3.51Å; A132-F166 HydrophobicContact CB-CD2 4.38Å; A132-F166 HydrophobicContact CB-CG 4.45Å; H162-F166 HydrophobicContact CB-CE2 4.1Å; H162-F166 HydrophobicContact CB-CZ 4.35Å; H162-F166 WeakPolarHBondContact O-CD2 3.47Å; H162-F166 WeakPolarHBondContact O-CG 3.49Å; H162-F166 PolarHBondContact O-N 2.99Å; L163-F166 PolarHBondContact O-N 3.44Å; F166-G168 VanDerWaalsContact C-N 3.34Å; F166-N170 WeakPolarHBondContact O-CB 3.35Å; F166-N170 PolarHBondContact O-N 3.31Å; F166-N170 PolarHBondContact O-ND2 3.1Å; F166-N170 PolarHBondContact O-OD1 2.92Å; F166-F188 HydrophobicContact CE2-CE1 4.39Å; F166-F188 AromaticContact CZ-CE1 3.97Å; F166-F188 HydrophobicContact CZ-CE1 3.97Å; F166-E195 VanDerWaalsContact CE1-C 3.48Å; F166-E195 WeakPolarHBondContact CE1-O 3.22Å; F166-E195 WeakPolarHBondContact CZ-O 3.46Å
167	V	98.9	Very high	98.6	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-61.5	-46	172.3	171.1	0	0	0	0	110.6	A132 L135 I139 L154 L163 A164 G165 N170 L171	A132-V167 HydrophobicContact CB-CG2 3.9Å; L135-V167 HydrophobicContact CB-CG2 4.04Å; L135-V167 HydrophobicContact CD2-CG2 4Å; L135-V167 HydrophobicContact CG-CG2 4.07Å; I139-V167 HydrophobicContact CD1-CG1 3.63Å; L154-V167 HydrophobicContact CD1-CB 3.93Å; L154-V167 HydrophobicContact CD1-CG1 3.72Å; L163-V167 HydrophobicContact CD2-CG2 4.03Å; L163-V167 WeakPolarHBondContact O-CG2 3.37Å; L163-V167 PolarHBondContact O-N 3.1Å; A164-V167 PolarHBondContact O-N 3.45Å; G165-V167 VanDerWaalsContact C-N 3.33Å; G165-V167 PolarHBondContact O-N 2.96Å; V167-N170 PolarHBondContact O-N 2.81Å; V167-L171 HydrophobicContact CG1-CD1 3.98Å; V167-L171 WeakPolarHBondContact O-CG 3.47Å; V167-L171 PolarHBondContact O-N 3.34Å; V167-L171 VanDerWaalsContact O-N 3.11Å
168	G	98.8	Very high	98.6	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-56.5	-50	175.5	0	0	0	0	0	113.5	A164 G165 F166 N170 L171 K172 G173 D201	A164-G168 PolarHBondContact O-N 2.99Å; G165-G168 CarbonylContact O-C 3.54Å; G165-G168 WeakPolarHBondContact O-CA 3.34Å; G165-G168 PolarHBondContact O-N 3.03Å; F166-G168 VanDerWaalsContact C-N 3.34Å; G168-N170 PolarHBondContact O-N 3.11Å; G168-L171 CarbonylContact O-C 3.58Å; G168-L171 VanDerWaalsContact O-C 3.25Å; G168-L171 WeakPolarHBondContact O-CA 3.41Å; G168-L171 PolarHBondContact O-N 3.03Å; G168-L171 VanDerWaalsContact O-N 3.1Å; G168-K172 PolarHBondContact O-N 3.03Å; G168-K172 VanDerWaalsContact O-N 3.08Å; G168-G173 PolarHBondContact O-N 2.95Å; G168-D201 CarbonylContact C-O 3.5Å; G168-D201 VanDerWaalsContact C-O 3.32Å; G168-D201 WeakPolarHBondContact CA-O 3.39Å
169	A	98.6	Very high	98.6	Very high	45 Å²	45	18.7 Å²	18.7	37%	0.372	11%	0.105	S	C	.	.	H	α-helix	trans	-59.4	-44.9	175.7	0	0	0	0	0	112.5	G165 L171 K172	G165-A169 PolarHBondContact O-N 3.23Å; A169-L171 PolarHBondContact O-N 2.64Å; A169-K172 PolarHBondContact O-N 2.97Å
170	N	98.7	Very high	98.7	Very high	56 Å²	56	18.7 Å²	18.7	30%	0.299	11%	0.105	S	C	.	.	H	α-helix	trans	-62.9	-23.4	176.8	-69.3	-22.3	0	0	0	113.3	T136 R140 F166 V167 G168	T136-N170 HydrophobicContact CG2-CB 3.63Å; T136-N170 PolarHBondContact OG1-ND2 2.78Å; R140-N170 PolarHBondContact NH2-O 3.19Å; F166-N170 WeakPolarHBondContact O-CB 3.35Å; F166-N170 PolarHBondContact O-N 3.31Å; F166-N170 PolarHBondContact O-ND2 3.1Å; F166-N170 PolarHBondContact O-OD1 2.92Å; V167-N170 PolarHBondContact O-N 2.81Å; G168-N170 PolarHBondContact O-N 3.11Å
171	L	98.6	Very high	98.7	Very high	13 Å²	13	18.7 Å²	18.7	7%	0.068	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103	17.7	175.5	-62	172.8	0	0	0	112.1	T136 I139 R140 L149 V167 G168 A169 G173 A174 I175	T136-L171 HydrophobicContact CG2-CD2 4.04Å; T136-L171 HydrophobicContact CG2-CG 4.22Å; I139-L171 HydrophobicContact CB-CD1 4.24Å; I139-L171 HydrophobicContact CG2-CD1 3.58Å; R140-L171 HydrophobicContact CG-CD2 3.77Å; L149-L171 HydrophobicContact CD2-CD1 4.4Å; V167-L171 HydrophobicContact CG1-CD1 3.98Å; V167-L171 WeakPolarHBondContact O-CG 3.47Å; V167-L171 PolarHBondContact O-N 3.34Å; V167-L171 VanDerWaalsContact O-N 3.11Å; G168-L171 CarbonylContact O-C 3.58Å; G168-L171 VanDerWaalsContact O-C 3.25Å; G168-L171 WeakPolarHBondContact O-CA 3.41Å; G168-L171 PolarHBondContact O-N 3.03Å; G168-L171 VanDerWaalsContact O-N 3.1Å; A169-L171 PolarHBondContact O-N 2.64Å; L171-G173 PolarHBondContact O-N 3.44Å; L171-A174 VanDerWaalsContact O-CB 3.22Å; L171-A174 WeakPolarHBondContact O-CB 3.5Å; L171-A174 PolarHBondContact O-N 3.48Å; L171-A174 VanDerWaalsContact O-N 3.08Å; L171-I175 HydrophobicContact CB-CG1 4.48Å; L171-I175 HydrophobicContact CD1-CD1 3.62Å; L171-I175 HydrophobicContact CD1-CG1 3.92Å
172	K	98.3	Very high	98.6	Very high	197 Å²	197	18.7 Å²	18.7	86%	0.857	11%	0.105	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.1	35.6	173.1	-52.3	177.1	-177.4	175.8	0	113.5	G168 A169 A174	G168-K172 PolarHBondContact O-N 3.03Å; G168-K172 VanDerWaalsContact O-N 3.08Å; A169-K172 PolarHBondContact O-N 2.97Å; K172-A174 PolarHBondContact O-N 2.89Å
173	G	98.3	Very high	98.6	Very high	13 Å²	13	18.7 Å²	18.7	13%	0.134	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.9	9.8	179.3	0	0	0	0	0	115	G168 L171 I175 S200 D201 A202 M203	G168-G173 PolarHBondContact O-N 2.95Å; L171-G173 PolarHBondContact O-N 3.44Å; G173-I175 PolarHBondContact O-N 3.14Å; G173-S200 WeakPolarHBondContact CA-O 3.38Å; G173-D201 WeakPolarHBondContact CA-O 3.28Å; G173-A202 CarbonylContact O-C 3.57Å; G173-A202 WeakPolarHBondContact O-CA 3.49Å; G173-M203 PolarHBondContact O-N 2.96Å
174	A	98.5	Very high	98.6	Very high	40 Å²	40	18.8 Å²	18.8	33%	0.331	11%	0.105	S	C	.	.			trans	-75.8	-9.7	-176.3	0	0	0	0	0	114.2	L149 L171 K172	L149-A174 CarbonylContact C-O 3.57Å; L149-A174 HydrophobicContact CB-CB 4.3Å; L149-A174 WeakPolarHBondContact CB-O 3.28Å; L149-A174 HydrophobicContact CD1-CB 3.64Å; L171-A174 VanDerWaalsContact O-CB 3.22Å; L171-A174 WeakPolarHBondContact O-CB 3.5Å; L171-A174 PolarHBondContact O-N 3.48Å; L171-A174 VanDerWaalsContact O-N 3.08Å; K172-A174 PolarHBondContact O-N 2.89Å
175	I	98.6	Very high	98.5	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	11%	0.106	C	C	.	.	S	Bend	trans	-62.7	135.7	174.7	-68.5	-62.7	0	0	0	110.1	I139 L149 I152 L154 L171 G173 R177 I178 A202 M203	I139-I175 HydrophobicContact CG2-CD1 4.35Å; L149-I175 HydrophobicContact CD2-CD1 4.38Å; I152-I175 HydrophobicContact CB-CD1 4.05Å; I152-I175 HydrophobicContact CD1-CD1 4.27Å; I152-I175 HydrophobicContact CG2-CD1 3.88Å; I152-I175 HydrophobicContact CG2-CG2 4.45Å; L154-I175 HydrophobicContact CD1-CG1 4.34Å; L154-I175 HydrophobicContact CD1-CG2 4.2Å; L154-I175 HydrophobicContact CG-CG2 4.06Å; L171-I175 HydrophobicContact CB-CG1 4.48Å; L171-I175 HydrophobicContact CD1-CD1 3.62Å; L171-I175 HydrophobicContact CD1-CG1 3.92Å; G173-I175 PolarHBondContact O-N 3.14Å; I175-R177 WeakPolarHBondContact CG2-O 3.36Å; I175-R177 PolarHBondContact O-N 3.16Å; I175-I178 HydrophobicContact CG2-CG1 4.18Å; I175-A202 HydrophobicContact CB-CB 4.18Å; I175-A202 HydrophobicContact CG2-CB 4.19Å; I175-A202 WeakPolarHBondContact O-CA 3.21Å; I175-A202 VanDerWaalsContact O-CB 3.29Å; I175-A202 WeakPolarHBondContact O-CB 3.26Å; I175-M203 WeakPolarHBondContact O-CG 3.34Å; I175-M203 PolarHBondContact O-N 3.25Å
176	G	97.9	Very high	98.4	Very high	3 Å²	3	21.4 Å²	21.4	3%	0.031	12%	0.123	C	C	.	.	S	Bend	trans	-63.4	-42.3	-176.5	0	0	0	0	0	114.4	L149 S150 I152 F204	L149-G176 PolarHBondContact O-N 3.36Å; S150-G176 WeakPolarHBondContact O-CA 3.3Å; I152-G176 PolarHBondContact O-N 3.36Å; G176-F204 PolarHBondContact O-N 3.24Å
177	R	98.3	Very high	98.2	Very high	17 Å²	17	26.3 Å²	26.3	6%	0.064	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	142	178.3	-175.6	173.7	176.2	176.6	-4	112.7	I152 H153 L154 I175 T179 F204 D206 S301 Y302	I152-R177 PolarHBondContact O-N 3.33Å; I152-R177 VanDerWaalsContact O-N 3.1Å; H153-R177 CarbonylContact C-O 3.55Å; H153-R177 WeakPolarHBondContact CA-O 2.93Å; H153-R177 HydrophobicContact CB-CB 4.43Å; H153-R177 PolarHBondContact CD2-O 2.87Å; L154-R177 PolarHBondContact N-O 2.79Å; I175-R177 WeakPolarHBondContact CG2-O 3.36Å; I175-R177 PolarHBondContact O-N 3.16Å; R177-T179 PolarHBondContact NE-OG1 3.02Å; R177-F204 CarbonylContact C-O 3.48Å; R177-F204 VanDerWaalsContact CA-O 3.26Å; R177-F204 WeakPolarHBondContact CA-O 3.06Å; R177-F204 HydrophobicContact CG-CD1 4.2Å; R177-D206 IonicContact CZ-OD1 3.88Å; R177-D206 IonicContact CZ-OD2 2.84Å; R177-D206 IonicContact NE-OD1 3.06Å; R177-D206 PolarHBondContact NE-OD1 3.02Å; R177-D206 IonicContact NE-OD2 3.65Å; R177-D206 VanDerWaalsContact NH2-CG 3.32Å; R177-D206 IonicContact NH2-OD1 3.23Å; R177-D206 PolarHBondContact NH2-OD1 3.29Å; R177-D206 IonicContact NH2-OD2 3.72Å; R177-D206 PolarHBondContact NH2-OD2 2.95Å; R177-S301 PolarHBondContact NH1-O 3.19Å; R177-Y302 PolarHBondContact NH1-O 3.26Å
178	I	98.9	Very high	98.1	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	130.9	162.2	-64.1	167.5	0	0	0	109.2	L154 A164 I175 L197 D201 A202 F204 V205 D206	L154-I178 HydrophobicContact CB-CG1 4.14Å; L154-I178 HydrophobicContact CD1-CD1 4.49Å; L154-I178 HydrophobicContact CD1-CG1 4.21Å; L154-I178 HydrophobicContact CG-CG1 4.43Å; L154-I178 CarbonylContact O-C 3.55Å; L154-I178 VanDerWaalsContact O-CA 3.3Å; L154-I178 WeakPolarHBondContact O-CA 3.26Å; A164-I178 HydrophobicContact CB-CG2 3.98Å; I175-I178 HydrophobicContact CG2-CG1 4.18Å; I178-L197 HydrophobicContact CD1-CD1 4.38Å; I178-L197 HydrophobicContact CG2-CD1 3.71Å; I178-D201 HydrophobicContact CD1-CB 3.64Å; I178-A202 HydrophobicContact CB-CB 4.28Å; I178-A202 HydrophobicContact CD1-CB 3.73Å; I178-A202 HydrophobicContact CG1-CB 3.72Å; I178-F204 PolarHBondContact N-O 3.41Å; I178-V205 HydrophobicContact CB-CG1 4.43Å; I178-V205 HydrophobicContact CB-CG2 4.3Å; I178-V205 CarbonylContact O-C 3.58Å; I178-V205 VanDerWaalsContact O-CA 3.28Å; I178-V205 WeakPolarHBondContact O-CA 3.28Å; I178-D206 PolarHBondContact O-N 3.17Å
179	T	98.8	Very high	97.8	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.006	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	116.1	167.4	-59.1	0	0	0	0	109.8	H153 L154 I155 G156 R177 L181 D206 F259	H153-T179 PolarHBondContact NE2-OG1 3.49Å; L154-T179 PolarHBondContact O-N 3.47Å; I155-T179 WeakPolarHBondContact CA-O 3.43Å; G156-T179 PolarHBondContact N-O 3.34Å; R177-T179 PolarHBondContact NE-OG1 3.02Å; T179-L181 HydrophobicContact CG2-CD2 3.79Å; T179-L181 HydrophobicContact CG2-CG 4.3Å; T179-D206 CarbonylContact C-O 3.47Å; T179-D206 VanDerWaalsContact CA-O 3.22Å; T179-D206 WeakPolarHBondContact CA-O 3.39Å; T179-D206 PolarHBondContact OG1-OD1 3.09Å; T179-D206 PolarHBondContact OG1-OD2 3.19Å; T179-F259 HydrophobicContact CG2-CD2 4.42Å; T179-F259 HydrophobicContact CG2-CE2 3.94Å; T179-F259 HydrophobicContact CG2-CZ 4.37Å
180	G	98.8	Very high	97.5	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	111.7	174.7	0	0	0	0	0	111.2	D206 V207 L208	G180-D206 PolarHBondContact N-O 3.4Å; G180-V207 CarbonylContact O-C 3.56Å; G180-V207 WeakPolarHBondContact O-CA 3.3Å; G180-L208 PolarHBondContact O-N 3.49Å
181	L	98.8	Very high	97.3	Very high	0 Å²	0	32 Å²	32	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	100.1	175.7	-58.1	-177.9	0	0	0	109	I155 G156 V157 S158 T179 L208 V256 F259	I155-L181 HydrophobicContact CG2-CD1 3.92Å; I155-L181 HydrophobicContact CG2-CG 4.37Å; G156-L181 PolarHBondContact O-N 3.5Å; V157-L181 WeakPolarHBondContact CA-O 3.42Å; V157-L181 HydrophobicContact CG2-CB 4.13Å; V157-L181 HydrophobicContact CG2-CD1 4.05Å; S158-L181 PolarHBondContact N-O 2.97Å; T179-L181 HydrophobicContact CG2-CD2 3.79Å; T179-L181 HydrophobicContact CG2-CG 4.3Å; L181-L208 HydrophobicContact CD2-CB 4.17Å; L181-L208 HydrophobicContact CD2-CD2 4.25Å; L181-V256 HydrophobicContact CD1-CG2 4.5Å; L181-F259 HydrophobicContact CD1-CB 3.96Å; L181-F259 HydrophobicContact CD1-CD1 3.81Å; L181-F259 HydrophobicContact CD1-CE1 4.47Å; L181-F259 HydrophobicContact CD1-CG 3.91Å; L181-F259 HydrophobicContact CD2-CB 3.84Å; L181-F259 HydrophobicContact CD2-CD1 4.49Å; L181-F259 HydrophobicContact CD2-CD2 3.92Å; L181-F259 HydrophobicContact CD2-CG 3.84Å
182	D	98.6	Very high	97.2	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	20%	0.201	C	C	.	.	S	Bend	trans	45.1	68.3	-176	-154	45.2	0	0	0	112.2	S158 L208 T210 D211 H252	S158-D182 WeakPolarHBondContact CA-O 3.49Å; S158-D182 PolarHBondContact N-O 2.02Å; D182-L208 WeakPolarHBondContact CA-O 3.18Å; D182-L208 PolarHBondContact N-O 3.36Å; D182-T210 PolarHBondContact OD1-N 3.13Å; D182-T210 PolarHBondContact OD2-OG1 2.79Å; D182-D211 PolarHBondContact OD1-N 3.26Å; D182-D211 VanDerWaalsContact OD1-N 3.1Å; D182-D211 VanDerWaalsContact OD2-CB 3.26Å; D182-D211 WeakPolarHBondContact OD2-CB 3.41Å; D182-D211 PolarHBondContact OD2-N 2.79Å; D182-H252 PolarHBondContact O-CE1 3.41Å; D182-H252 WeakPolarHBondContact OD2-CA 3.34Å; D182-H252 IonicContact OD2-CE1 3.6Å; D182-H252 IonicContact OD2-CG 3.67Å; D182-H252 IonicContact OD2-ND1 2.74Å; D182-H252 PolarHBondContact OD2-ND1 3.4Å
183	P	98.8	Very high	97.1	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	18%	0.175	C	C	.	.			trans	-52.6	144.5	-179.1	-22.4	32.6	0	0	0	111.3	A161 G185 L197 V207 G216 L217	A161-P183 HydrophobicContact CB-CB 3.73Å; A161-P183 HydrophobicContact CB-CG 3.83Å; P183-G185 PolarHBondContact O-N 3.05Å; P183-L197 HydrophobicContact CG-CD2 4.02Å; P183-V207 HydrophobicContact CG-CG1 3.63Å; P183-G216 CarbonylContact O-C 3.56Å; P183-G216 WeakPolarHBondContact O-CA 3.44Å; P183-L217 HydrophobicContact CB-CB 4.09Å; P183-L217 HydrophobicContact CB-CD2 4.35Å; P183-L217 VanDerWaalsContact O-CB 3.31Å; P183-L217 WeakPolarHBondContact O-CB 3.04Å; P183-L217 PolarHBondContact O-N 3.11Å
184	A	98.2	Very high	97	Very high	2 Å²	2	33 Å²	33	2%	0.017	20%	0.198	C	C	.	.	B	Isolated β-bridge	trans	-70.8	128.8	-173.6	0	0	0	0	0	112.5	S158 L159 H162 F188 F215	S158-A184 PolarHBondContact O-N 3.39Å; L159-A184 HydrophobicContact CD2-CB 3.9Å; L159-A184 HydrophobicContact CG-CB 4.32Å; H162-A184 PolarHBondContact NE2-N 3.33Å; H162-A184 PolarHBondContact NE2-O 2.86Å; A184-F188 WeakPolarHBondContact O-CB 3.23Å; A184-F188 WeakPolarHBondContact O-CD2 3.5Å; A184-F215 CarbonylContact C-O 3.59Å; A184-F215 WeakPolarHBondContact CA-O 3.35Å
185	G	97.4	Very high	96.9	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.01	20%	0.201	C	C	.	.			trans	-75.8	-47.5	177.6	0	0	0	0	0	115	P183 M187 F188 T189 F215	P183-G185 PolarHBondContact O-N 3.05Å; G185-M187 PolarHBondContact O-N 3.46Å; G185-F188 PolarHBondContact O-N 2.82Å; G185-T189 PolarHBondContact O-N 2.84Å; G185-T189 PolarHBondContact O-OG1 2.95Å; G185-F215 PolarHBondContact N-O 3.42Å
186	P	95.6	Very high	96.9	Very high	54 Å²	54	36.7 Å²	36.7	35%	0.351	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	129.9	-177.3	-24.9	34.4	0	0	0	111.5	Y121 F188 F215	Y121-P186 HydrophobicContact CE1-CB 3.71Å; Y121-P186 WeakPolarHBondContact CE1-O 3.47Å; Y121-P186 PolarHBondContact OH-O 3Å; P186-F188 VanDerWaalsContact O-CD2 3.31Å; P186-F188 WeakPolarHBondContact O-CD2 3.46Å; P186-F188 PolarHBondContact O-N 3.45Å; P186-F215 WeakPolarHBondContact CD-O 3.5Å
187	M	95.4	Very high	96.9	Very high	111 Å²	111	36.6 Å²	36.6	55%	0.547	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.2	-15.7	-170	-60.9	-60.7	-72.4	0	0	117	Y121 F122 V125 G185	Y121-M187 HydrophobicContact CE1-CG 4.17Å; F122-M187 HydrophobicContact CD1-CE 4.08Å; F122-M187 HydrophobicContact CD1-CG 3.93Å; F122-M187 HydrophobicContact CD1-SD 3.75Å; F122-M187 HydrophobicContact CE1-CE 4.25Å; F122-M187 HydrophobicContact CE1-CG 3.95Å; F122-M187 HydrophobicContact CE1-SD 3.43Å; F122-M187 WeakPolarHBondContact CE1-SD 3.23Å; V125-M187 HydrophobicContact CG1-CB 4.12Å; V125-M187 HydrophobicContact CG1-CG 4.43Å; V125-M187 HydrophobicContact CG2-CB 4.27Å; V125-M187 HydrophobicContact CG2-CG 4.21Å; G185-M187 PolarHBondContact O-N 3.46Å
188	F	96.8	Very high	96.9	Very high	7 Å²	7	37 Å²	37	3%	0.031	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.3	-18.6	-177.1	-61.2	-81.9	0	0	0	113.9	V125 L159 H162 F166 A184 G185 P186 S190 A191 E195 R196 L217	V125-F188 HydrophobicContact CG1-CE2 4.19Å; V125-F188 HydrophobicContact CG1-CZ 3.94Å; V125-F188 HydrophobicContact CG2-CE2 4.23Å; L159-F188 HydrophobicContact CD2-CD2 4.49Å; L159-F188 HydrophobicContact CD2-CE2 3.53Å; L159-F188 HydrophobicContact CD2-CZ 4.17Å; H162-F188 HydrophobicContact CB-CD1 4.32Å; H162-F188 HydrophobicContact CB-CE1 3.78Å; H162-F188 HydrophobicContact CB-CZ 3.93Å; H162-F188 AromaticContact CD2-CD1 3.64Å; H162-F188 AromaticContact CD2-CD2 3.31Å; H162-F188 WeakPolarHBondContact CD2-CD2 3.46Å; H162-F188 AromaticContact CD2-CE1 3.7Å; H162-F188 AromaticContact CD2-CE2 3.41Å; H162-F188 VanDerWaalsContact CD2-CE2 3.41Å; H162-F188 WeakPolarHBondContact CD2-CE2 3.46Å; H162-F188 AromaticContact CD2-CG 3.43Å; H162-F188 VanDerWaalsContact CD2-CG 3.43Å; H162-F188 WeakPolarHBondContact CD2-CG 3.2Å; H162-F188 AromaticContact CD2-CZ 3.59Å; H162-F188 AromaticContact CE1-CG 3.96Å; H162-F188 AromaticContact CG-CD1 3.68Å; H162-F188 AromaticContact CG-CE1 3.61Å; H162-F188 AromaticContact CG-CG 3.95Å; H162-F188 AromaticContact CG-CZ 3.85Å; H162-F188 AromaticContact ND1-CD1 4Å; H162-F188 AromaticContact NE2-CD1 3.97Å; H162-F188 AromaticContact NE2-CD2 3.58Å; H162-F188 AromaticContact NE2-CG 3.47Å; H162-F188 WeakPolarHBondContact NE2-CG 3.25Å; F166-F188 HydrophobicContact CE2-CE1 4.39Å; F166-F188 AromaticContact CZ-CE1 3.97Å; F166-F188 HydrophobicContact CZ-CE1 3.97Å; A184-F188 WeakPolarHBondContact O-CB 3.23Å; A184-F188 WeakPolarHBondContact O-CD2 3.5Å; G185-F188 PolarHBondContact O-N 2.82Å; P186-F188 VanDerWaalsContact O-CD2 3.31Å; P186-F188 WeakPolarHBondContact O-CD2 3.46Å; P186-F188 PolarHBondContact O-N 3.45Å; F188-S190 VanDerWaalsContact C-N 3.28Å; F188-S190 PolarHBondContact O-N 3.27Å; F188-A191 VanDerWaalsContact O-CB 3.29Å; F188-A191 WeakPolarHBondContact O-CB 3.16Å; F188-A191 PolarHBondContact O-N 3.49Å; F188-E195 VanDerWaalsContact CD1-O 3.26Å; F188-E195 WeakPolarHBondContact CD1-O 3.36Å; F188-E195 WeakPolarHBondContact CE1-O 3.04Å; F188-R196 HydrophobicContact CB-CB 4.18Å; F188-R196 HydrophobicContact CD1-CB 3.86Å; F188-R196 HydrophobicContact CG-CB 4.46Å; F188-L217 HydrophobicContact CB-CD1 4.03Å
189	T	92.7	Very high	96.9	Very high	73 Å²	73	37.7 Å²	37.7	45%	0.448	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-36.5	-176.7	-60.1	0	0	0	0	113.4	G185 L217	G185-T189 PolarHBondContact O-N 2.84Å; G185-T189 PolarHBondContact O-OG1 2.95Å; T189-L217 VanDerWaalsContact CA-CD1 3.49Å
190	S	91.3	Very high	96.9	Very high	126 Å²	126	41.4 Å²	41.4	88%	0.881	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102.5	6.1	177.8	-53.8	0	0	0	0	112.8	F188	F188-S190 VanDerWaalsContact C-N 3.28Å; F188-S190 PolarHBondContact O-N 3.27Å
191	A	95.1	Very high	96.9	Very high	15 Å²	15	41.7 Å²	41.7	12%	0.124	24%	0.241	C	C	.	.			trans	-77.8	149.3	-176.5	0	0	0	0	0	110.8	F188 E195 R196	F188-A191 VanDerWaalsContact O-CB 3.29Å; F188-A191 WeakPolarHBondContact O-CB 3.16Å; F188-A191 PolarHBondContact O-N 3.49Å; A191-E195 HydrophobicContact CB-CB 3.77Å; A191-R196 PolarHBondContact O-NE 3.14Å
192	T	96.6	Very high	96.8	Very high	63 Å²	63	42 Å²	42	39%	0.387	24%	0.243	S	C	.	.			trans	-69.6	161.7	176.5	74.8	0	0	0	0	110.4	E194 E195 R196	T192-E194 WeakPolarHBondContact CB-OE2 3.11Å; T192-E194 PolarHBondContact O-N 2.97Å; T192-E194 VanDerWaalsContact O-N 3.11Å; T192-E194 PolarHBondContact OG1-OE2 3.41Å; T192-E195 PolarHBondContact N-OE2 3.2Å; T192-E195 WeakPolarHBondContact O-CA 3.32Å; T192-E195 WeakPolarHBondContact O-CB 3.31Å; T192-E195 PolarHBondContact O-N 3.38Å; T192-E195 WeakPolarHBondContact OG1-CG 3.48Å; T192-R196 WeakPolarHBondContact O-CG 3.46Å
193	P	95.6	Very high	96.8	Very high	48 Å²	48	46.3 Å²	46.3	31%	0.312	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-47.4	-38.5	176.2	-31.3	38.9	0	0	0	114.2	E195 R196 D198	P193-E195 PolarHBondContact O-N 2.58Å; P193-R196 PolarHBondContact O-N 3.3Å; P193-R196 VanDerWaalsContact O-O 3.14Å; P193-D198 HydrophobicContact CB-CB 4.31Å
194	E	95.8	Very high	96.8	Very high	133 Å²	133	46.5 Å²	46.5	62%	0.621	27%	0.266	S	S	*	.	G	3₁₀ helix	trans	-71.6	-12.2	-180	-54	73.9	-159.2	0	0	113.6	T192	T192-E194 WeakPolarHBondContact CB-OE2 3.11Å; T192-E194 PolarHBondContact O-N 2.97Å; T192-E194 VanDerWaalsContact O-N 3.11Å; T192-E194 PolarHBondContact OG1-OE2 3.41Å
195	E	96.7	Very high	96.8	Very high	83 Å²	83	46.4 Å²	46.4	39%	0.388	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-109.1	4	-175.2	-63	-175.6	132.2	0	0	113.7	F166 F188 A191 T192 P193	F166-E195 VanDerWaalsContact CE1-C 3.48Å; F166-E195 WeakPolarHBondContact CE1-O 3.22Å; F166-E195 WeakPolarHBondContact CZ-O 3.46Å; F188-E195 VanDerWaalsContact CD1-O 3.26Å; F188-E195 WeakPolarHBondContact CD1-O 3.36Å; F188-E195 WeakPolarHBondContact CE1-O 3.04Å; A191-E195 HydrophobicContact CB-CB 3.77Å; T192-E195 PolarHBondContact N-OE2 3.2Å; T192-E195 WeakPolarHBondContact O-CA 3.32Å; T192-E195 WeakPolarHBondContact O-CB 3.31Å; T192-E195 PolarHBondContact O-N 3.38Å; T192-E195 WeakPolarHBondContact OG1-CG 3.48Å; P193-E195 PolarHBondContact O-N 2.58Å
196	R	98.1	Very high	96.9	Very high	34 Å²	34	46.5 Å²	46.5	13%	0.128	27%	0.265	C	S	.	.	S	Bend	trans	-147.4	-171.5	177.4	58.3	168.7	171.5	70.9	1.6	110.3	F188 A191 T192 P193 D198 H221	F188-R196 HydrophobicContact CB-CB 4.18Å; F188-R196 HydrophobicContact CD1-CB 3.86Å; F188-R196 HydrophobicContact CG-CB 4.46Å; A191-R196 PolarHBondContact O-NE 3.14Å; T192-R196 WeakPolarHBondContact O-CG 3.46Å; P193-R196 PolarHBondContact O-N 3.3Å; P193-R196 VanDerWaalsContact O-O 3.14Å; R196-D198 IonicContact NH1-OD2 3.44Å; R196-H221 PolarHBondContact NH1-ND1 3.11Å
197	L	98.7	Very high	97.1	Very high	0 Å²	0	44 Å²	44	0%	0	25%	0.249	C	C	.	.			trans	-72	135.3	170.1	176.6	66	0	0	0	108.9	A161 H162 I178 P183 D201 V205 V207	A161-L197 HydrophobicContact CB-CD2 4.31Å; H162-L197 PolarHBondContact ND1-N 3.28Å; I178-L197 HydrophobicContact CD1-CD1 4.38Å; I178-L197 HydrophobicContact CG2-CD1 3.71Å; P183-L197 HydrophobicContact CG-CD2 4.02Å; L197-D201 WeakPolarHBondContact CA-OD2 2.96Å; L197-V205 HydrophobicContact CD1-CG1 4.14Å; L197-V205 HydrophobicContact CD2-CG1 4.39Å; L197-V205 HydrophobicContact CG-CG1 4.37Å; L197-V207 HydrophobicContact CD2-CG2 3.93Å
198	D	98.3	Very high	97.2	Very high	25 Å²	25	38.7 Å²	38.7	13%	0.134	22%	0.223	C	C	.	.			trans	-143.7	154	-178.4	-173.5	-97.1	0	0	0	111.6	P193 R196 S200 D201 H221	P193-D198 HydrophobicContact CB-CB 4.31Å; R196-D198 IonicContact NH1-OD2 3.44Å; D198-S200 PolarHBondContact O-N 3.48Å; D198-S200 VanDerWaalsContact O-N 3.12Å; D198-S200 WeakPolarHBondContact OD1-CB 3.46Å; D198-S200 PolarHBondContact OD1-N 3.21Å; D198-S200 PolarHBondContact OD1-OG 3.13Å; D198-D201 PolarHBondContact N-OD2 3.4Å; D198-D201 WeakPolarHBondContact O-CB 3.28Å; D198-D201 PolarHBondContact O-N 3.16Å; D198-D201 VanDerWaalsContact O-N 3.09Å; D198-H221 CarbonylContact C-O 3.5Å
199	P	98.4	Very high	97.3	Very high	15 Å²	15	38.4 Å²	38.4	10%	0.097	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-56.6	-27	176.8	-25	34.9	0	0	0	114.2	D201 H221 H223 Q316	P199-D201 PolarHBondContact O-N 3.38Å; P199-H221 WeakPolarHBondContact CD-O 3.15Å; P199-H223 PolarHBondContact O-CE1 3.08Å; P199-Q316 HydrophobicContact CG-CG 4.08Å
200	S	98.3	Very high	97.6	Very high	80 Å²	80	34.9 Å²	34.9	56%	0.559	20%	0.2	S	C	*	.	G	3₁₀ helix	trans	-71.9	-11.7	179	61.7	0	0	0	0	114.8	G173 D198 A202	G173-S200 WeakPolarHBondContact CA-O 3.38Å; D198-S200 PolarHBondContact O-N 3.48Å; D198-S200 VanDerWaalsContact O-N 3.12Å; D198-S200 WeakPolarHBondContact OD1-CB 3.46Å; D198-S200 PolarHBondContact OD1-N 3.21Å; D198-S200 PolarHBondContact OD1-OG 3.13Å; S200-A202 PolarHBondContact O-N 3.01Å
201	D	98.8	Very high	97.8	Very high	5 Å²	5	29 Å²	29	3%	0.027	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	-73.3	-13.5	-176.5	-64.7	-28.4	0	0	0	113.4	G165 G168 G173 I178 L197 D198 P199	G165-D201 WeakPolarHBondContact CA-OD2 3.44Å; G165-D201 VanDerWaalsContact O-CG 3.3Å; G168-D201 CarbonylContact C-O 3.5Å; G168-D201 VanDerWaalsContact C-O 3.32Å; G168-D201 WeakPolarHBondContact CA-O 3.39Å; G173-D201 WeakPolarHBondContact CA-O 3.28Å; I178-D201 HydrophobicContact CD1-CB 3.64Å; L197-D201 WeakPolarHBondContact CA-OD2 2.96Å; D198-D201 PolarHBondContact N-OD2 3.4Å; D198-D201 WeakPolarHBondContact O-CB 3.28Å; D198-D201 PolarHBondContact O-N 3.16Å; D198-D201 VanDerWaalsContact O-N 3.09Å; P199-D201 PolarHBondContact O-N 3.38Å
202	A	98.7	Very high	97.9	Very high	6 Å²	6	29.4 Å²	29.4	5%	0.05	16%	0.158	C	C	.	.	S	Bend	trans	-154.4	165.4	176.5	0	0	0	0	0	112	G173 I175 I178 S200 F204 V205	G173-A202 CarbonylContact O-C 3.57Å; G173-A202 WeakPolarHBondContact O-CA 3.49Å; I175-A202 HydrophobicContact CB-CB 4.18Å; I175-A202 HydrophobicContact CG2-CB 4.19Å; I175-A202 WeakPolarHBondContact O-CA 3.21Å; I175-A202 VanDerWaalsContact O-CB 3.29Å; I175-A202 WeakPolarHBondContact O-CB 3.26Å; I178-A202 HydrophobicContact CB-CB 4.28Å; I178-A202 HydrophobicContact CD1-CB 3.73Å; I178-A202 HydrophobicContact CG1-CB 3.72Å; S200-A202 PolarHBondContact O-N 3.01Å; A202-F204 PolarHBondContact O-N 3.3Å; A202-F204 VanDerWaalsContact O-N 3.12Å; A202-V205 HydrophobicContact CB-CG2 3.93Å
203	M	98.2	Very high	97.7	Very high	92 Å²	92	29.2 Å²	29.2	45%	0.453	16%	0.155	S	C	.	.	S	Bend	trans	-57.3	-26.4	171.4	-60.5	179.9	71.1	0	0	112.5	G173 I175	G173-M203 PolarHBondContact O-N 2.96Å; I175-M203 WeakPolarHBondContact O-CG 3.34Å; I175-M203 PolarHBondContact O-N 3.25Å
204	F	98.5	Very high	97.5	Very high	3 Å²	3	28.5 Å²	28.5	1%	0.013	15%	0.151	C	C	.	.			trans	-151.2	138.5	171.2	-172.1	-102.5	0	0	0	111	G176 R177 I178 A202 D206 H223 I224 I304 R308 L311 V312	G176-F204 PolarHBondContact O-N 3.24Å; R177-F204 CarbonylContact C-O 3.48Å; R177-F204 VanDerWaalsContact CA-O 3.26Å; R177-F204 WeakPolarHBondContact CA-O 3.06Å; R177-F204 HydrophobicContact CG-CD1 4.2Å; I178-F204 PolarHBondContact N-O 3.41Å; A202-F204 PolarHBondContact O-N 3.3Å; A202-F204 VanDerWaalsContact O-N 3.12Å; F204-D206 HydrophobicContact CE1-CB 3.84Å; F204-D206 HydrophobicContact CZ-CB 4.48Å; F204-H223 HydrophobicContact CD2-CB 4.04Å; F204-H223 HydrophobicContact CE2-CB 3.9Å; F204-I224 HydrophobicContact CE1-CG2 4.27Å; F204-I224 HydrophobicContact CZ-CG2 3.69Å; F204-I304 HydrophobicContact CB-CD1 4.04Å; F204-I304 HydrophobicContact CD1-CD1 3.11Å; F204-I304 HydrophobicContact CD2-CD1 4.12Å; F204-I304 HydrophobicContact CE1-CD1 3.4Å; F204-I304 HydrophobicContact CE1-CG2 4.48Å; F204-I304 HydrophobicContact CE2-CD1 4.37Å; F204-I304 HydrophobicContact CG-CD1 3.49Å; F204-I304 VanDerWaalsContact CG-CD1 3.49Å; F204-I304 HydrophobicContact CZ-CD1 4.03Å; F204-R308 HydrophobicContact CD2-CG 4.14Å; F204-L311 HydrophobicContact CE2-CB 3.95Å; F204-L311 HydrophobicContact CE2-CD1 3.71Å; F204-L311 HydrophobicContact CE2-CG 4.49Å; F204-L311 HydrophobicContact CZ-CD1 3.69Å; F204-V312 HydrophobicContact CD2-CG2 4.28Å
205	V	98.7	Very high	97.3	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	121.6	-178.9	-176.9	0	0	0	0	108	I178 L197 A202 V207 G222 H223 I224	I178-V205 HydrophobicContact CB-CG1 4.43Å; I178-V205 HydrophobicContact CB-CG2 4.3Å; I178-V205 CarbonylContact O-C 3.58Å; I178-V205 VanDerWaalsContact O-CA 3.28Å; I178-V205 WeakPolarHBondContact O-CA 3.28Å; L197-V205 HydrophobicContact CD1-CG1 4.14Å; L197-V205 HydrophobicContact CD2-CG1 4.39Å; L197-V205 HydrophobicContact CG-CG1 4.37Å; A202-V205 HydrophobicContact CB-CG2 3.93Å; V205-V207 HydrophobicContact CG1-CG2 4.11Å; V205-G222 CarbonylContact O-C 3.48Å; V205-G222 WeakPolarHBondContact O-CA 3.37Å; V205-H223 PolarHBondContact N-ND1 3.44Å; V205-H223 WeakPolarHBondContact O-CB 3.23Å; V205-H223 PolarHBondContact O-N 2.93Å; V205-I224 PolarHBondContact O-N 2.74Å
206	D	98.6	Very high	97.3	Very high	3 Å²	3	21.9 Å²	21.9	2%	0.016	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	132.3	172.5	61.9	-53.7	0	0	0	111.3	R177 I178 T179 G180 F204 I224	R177-D206 IonicContact CZ-OD1 3.88Å; R177-D206 IonicContact CZ-OD2 2.84Å; R177-D206 IonicContact NE-OD1 3.06Å; R177-D206 PolarHBondContact NE-OD1 3.02Å; R177-D206 IonicContact NE-OD2 3.65Å; R177-D206 VanDerWaalsContact NH2-CG 3.32Å; R177-D206 IonicContact NH2-OD1 3.23Å; R177-D206 PolarHBondContact NH2-OD1 3.29Å; R177-D206 IonicContact NH2-OD2 3.72Å; R177-D206 PolarHBondContact NH2-OD2 2.95Å; I178-D206 PolarHBondContact O-N 3.17Å; T179-D206 CarbonylContact C-O 3.47Å; T179-D206 VanDerWaalsContact CA-O 3.22Å; T179-D206 WeakPolarHBondContact CA-O 3.39Å; T179-D206 PolarHBondContact OG1-OD1 3.09Å; T179-D206 PolarHBondContact OG1-OD2 3.19Å; G180-D206 PolarHBondContact N-O 3.4Å; F204-D206 HydrophobicContact CE1-CB 3.84Å; F204-D206 HydrophobicContact CZ-CB 4.48Å; D206-I224 WeakPolarHBondContact CA-O 3.16Å; D206-I224 HydrophobicContact CB-CG2 3.55Å
207	V	98.8	Very high	97.3	Very high	1 Å²	1	20.3 Å²	20.3	1%	0.006	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	136.4	-175.3	-174.2	0	0	0	0	109.8	G180 P183 L197 V205 H209 H221 I224 D225 F226	G180-V207 CarbonylContact O-C 3.56Å; G180-V207 WeakPolarHBondContact O-CA 3.3Å; P183-V207 HydrophobicContact CG-CG1 3.63Å; L197-V207 HydrophobicContact CD2-CG2 3.93Å; V205-V207 HydrophobicContact CG1-CG2 4.11Å; V207-H209 WeakPolarHBondContact CG1-NE2 3.34Å; V207-H221 HydrophobicContact CG2-CB 4.33Å; V207-I224 PolarHBondContact N-O 3.46Å; V207-D225 WeakPolarHBondContact CB-OD1 3.41Å; V207-D225 CarbonylContact O-C 3.56Å; V207-D225 WeakPolarHBondContact O-CA 3.2Å; V207-F226 PolarHBondContact O-N 2.84Å
208	L	98.8	Very high	97.2	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.005	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	120.1	172.5	174.9	61.5	0	0	0	109.6	G180 L181 D182 T210 F226 A228 S255 L258 L299 F321	G180-L208 PolarHBondContact O-N 3.49Å; L181-L208 HydrophobicContact CD2-CB 4.17Å; L181-L208 HydrophobicContact CD2-CD2 4.25Å; D182-L208 WeakPolarHBondContact CA-O 3.18Å; D182-L208 PolarHBondContact N-O 3.36Å; L208-T210 HydrophobicContact CD1-CG2 4.43Å; L208-T210 HydrophobicContact CG-CG2 4.27Å; L208-F226 HydrophobicContact CD1-CB 3.83Å; L208-A228 HydrophobicContact CD1-CB 4.23Å; L208-S255 VanDerWaalsContact CD2-O 3.3Å; L208-S255 WeakPolarHBondContact CD2-O 3.44Å; L208-L258 HydrophobicContact CD2-CB 4.11Å; L208-L299 HydrophobicContact CB-CD1 4.2Å; L208-L299 HydrophobicContact CD1-CD1 4.31Å; L208-L299 HydrophobicContact CD1-CD2 4Å; L208-L299 HydrophobicContact CD2-CD1 4.18Å; L208-L299 HydrophobicContact CD2-CD2 3.71Å; L208-L299 HydrophobicContact CG-CD1 4.48Å; L208-L299 HydrophobicContact CG-CD2 4.44Å; L208-F321 HydrophobicContact CD1-CE1 4.41Å; L208-F321 HydrophobicContact CD1-CZ 4.18Å
209	H	98.8	Very high	97	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	128.5	178.5	-64	-81.2	0	0	0	110.4	V207 M212 L217 G219 D225 F226 Y227 A228 G231	V207-H209 WeakPolarHBondContact CG1-NE2 3.34Å; H209-M212 HydrophobicContact CB-CE 4.47Å; H209-M212 HydrophobicContact CB-CG 4.03Å; H209-M212 HydrophobicContact CB-SD 4.14Å; H209-L217 PolarHBondContact CE1-O 2.93Å; H209-L217 PolarHBondContact ND1-O 3.37Å; H209-G219 PolarHBondContact CE1-O 3.23Å; H209-G219 PolarHBondContact NE2-O 3.45Å; H209-D225 IonicContact CD2-OD1 3.2Å; H209-D225 IonicContact CE1-OD1 3.22Å; H209-D225 IonicContact NE2-OD1 3.63Å; H209-D225 PolarHBondContact NE2-OD1 2.8Å; H209-F226 PolarHBondContact N-O 3.2Å; H209-Y227 HydrophobicContact CB-CD1 3.67Å; H209-Y227 HydrophobicContact CB-CE1 4Å; H209-Y227 HydrophobicContact CB-CG 4.49Å; H209-Y227 AromaticContact CD2-CD1 3.83Å; H209-Y227 AromaticContact CD2-CE1 3.42Å; H209-Y227 VanDerWaalsContact CD2-CE1 3.42Å; H209-Y227 WeakPolarHBondContact CD2-CE1 3.37Å; H209-Y227 AromaticContact CD2-CZ 3.78Å; H209-Y227 AromaticContact CG-CD1 3.87Å; H209-Y227 AromaticContact CG-CE1 3.66Å; H209-A228 PolarHBondContact O-N 3.24Å; H209-G231 VanDerWaalsContact O-CA 3.31Å; H209-G231 WeakPolarHBondContact O-CA 3.47Å
210	T	98.3	Very high	97	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.152	C	C	.	.	S	Bend	trans	-135	-15.4	178.1	51	0	0	0	0	114.7	D182 L208 A228 G231 I232 Q234 D251 R254 S255 L258	D182-T210 PolarHBondContact OD1-N 3.13Å; D182-T210 PolarHBondContact OD2-OG1 2.79Å; L208-T210 HydrophobicContact CD1-CG2 4.43Å; L208-T210 HydrophobicContact CG-CG2 4.27Å; T210-A228 HydrophobicContact CG2-CB 4.13Å; T210-G231 CarbonylContact C-O 3.56Å; T210-I232 CarbonylContact O-C 3.55Å; T210-Q234 HydrophobicContact CG2-CG 4.48Å; T210-Q234 WeakPolarHBondContact O-CG 2.96Å; T210-Q234 PolarHBondContact O-NE2 3.08Å; T210-D251 VanDerWaalsContact CB-O 3.26Å; T210-D251 WeakPolarHBondContact CB-O 3.38Å; T210-D251 PolarHBondContact OG1-O 3.24Å; T210-R254 HydrophobicContact CG2-CB 4.17Å; T210-R254 HydrophobicContact CG2-CG 4.24Å; T210-S255 WeakPolarHBondContact OG1-CB 3.36Å; T210-S255 PolarHBondContact OG1-N 3.4Å; T210-L258 HydrophobicContact CG2-CD1 4.18Å
211	D	96.8	Very high	96.9	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.005	13%	0.127	C	C	.	.			trans	-143.2	42.7	-176.6	-173	27.4	0	0	0	114.1	D182 N213 S214 F215 G216 G231 D251 H252	D182-D211 PolarHBondContact OD1-N 3.26Å; D182-D211 VanDerWaalsContact OD1-N 3.1Å; D182-D211 VanDerWaalsContact OD2-CB 3.26Å; D182-D211 WeakPolarHBondContact OD2-CB 3.41Å; D182-D211 PolarHBondContact OD2-N 2.79Å; D211-N213 PolarHBondContact O-N 3.15Å; D211-N213 VanDerWaalsContact O-N 3.14Å; D211-N213 PolarHBondContact OD1-OD1 3.19Å; D211-S214 CarbonylContact O-C 3.53Å; D211-S214 PolarHBondContact O-N 3.22Å; D211-S214 VanDerWaalsContact O-N 3.07Å; D211-S214 VanDerWaalsContact OD1-CB 3.28Å; D211-S214 WeakPolarHBondContact OD1-CB 3.48Å; D211-F215 PolarHBondContact O-N 3.35Å; D211-F215 VanDerWaalsContact OD2-CB 3.25Å; D211-F215 WeakPolarHBondContact OD2-CB 3.27Å; D211-F215 PolarHBondContact OD2-N 2.82Å; D211-G216 WeakPolarHBondContact O-CA 3.19Å; D211-G216 PolarHBondContact O-N 3.25Å; D211-G231 PolarHBondContact N-O 2.98Å; D211-D251 HydrophobicContact CB-CB 3.83Å; D211-H252 HydrophobicContact CB-CB 4.23Å
212	M	96.1	Very high	96.9	Very high	24 Å²	24	24.3 Å²	24.3	12%	0.118	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-16.3	-175	-71.8	-169.7	-62.6	0	0	115.3	H209 R218 Y227 G230 G231 I232	H209-M212 HydrophobicContact CB-CE 4.47Å; H209-M212 HydrophobicContact CB-CG 4.03Å; H209-M212 HydrophobicContact CB-SD 4.14Å; M212-R218 HydrophobicContact CB-CG 4.13Å; M212-R218 WeakPolarHBondContact O-CG 3.4Å; M212-R218 PolarHBondContact O-NE 3.03Å; M212-Y227 HydrophobicContact CE-CD1 3.44Å; M212-Y227 VanDerWaalsContact CE-CD1 3.44Å; M212-Y227 HydrophobicContact CE-CE1 3.59Å; M212-Y227 HydrophobicContact SD-CD1 4Å; M212-Y227 HydrophobicContact SD-CE1 3.59Å; M212-Y227 VanDerWaalsContact SD-CE1 3.59Å; M212-G230 WeakPolarHBondContact CE-O 3.41Å; M212-G231 VanDerWaalsContact CB-O 3.31Å; M212-G231 WeakPolarHBondContact CB-O 3.43Å; M212-G231 WeakPolarHBondContact CG-O 3.41Å; M212-G231 PolarHBondContact N-O 3.29Å; M212-I232 HydrophobicContact CE-CG1 4.4Å
213	N	92.8	Very high	96.9	Very high	59 Å²	59	24.9 Å²	24.9	32%	0.316	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-17.5	174.2	56.5	-22.1	0	0	0	112.8	D211 I232 D233	D211-N213 PolarHBondContact O-N 3.15Å; D211-N213 VanDerWaalsContact O-N 3.14Å; D211-N213 PolarHBondContact OD1-OD1 3.19Å; N213-I232 HydrophobicContact CB-CG2 3.78Å; N213-I232 WeakPolarHBondContact ND2-CG2 3.35Å; N213-D233 PolarHBondContact ND2-OD1 3.32Å
214	S	90.9	Very high	96.9	Very high	34 Å²	34	20.7 Å²	20.7	24%	0.238	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-125	-90.3	177.3	-170.8	0	0	0	0	113.2	D211 F248	D211-S214 CarbonylContact O-C 3.53Å; D211-S214 PolarHBondContact O-N 3.22Å; D211-S214 VanDerWaalsContact O-N 3.07Å; D211-S214 VanDerWaalsContact OD1-CB 3.28Å; D211-S214 WeakPolarHBondContact OD1-CB 3.48Å; S214-F248 VanDerWaalsContact CB-CD1 3.42Å; S214-F248 WeakPolarHBondContact OG-CD1 3.26Å; S214-F248 WeakPolarHBondContact OG-CE1 3.18Å
215	F	93	Very high	96.9	Very high	75 Å²	75	20.5 Å²	20.5	33%	0.329	11%	0.106	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-18.9	-170	-61.3	-33.7	0	0	0	114	A184 G185 P186 D211 F248 V249 H252	A184-F215 CarbonylContact C-O 3.59Å; A184-F215 WeakPolarHBondContact CA-O 3.35Å; G185-F215 PolarHBondContact N-O 3.42Å; P186-F215 WeakPolarHBondContact CD-O 3.5Å; D211-F215 PolarHBondContact O-N 3.35Å; D211-F215 VanDerWaalsContact OD2-CB 3.25Å; D211-F215 WeakPolarHBondContact OD2-CB 3.27Å; D211-F215 PolarHBondContact OD2-N 2.82Å; F215-F248 HydrophobicContact CD2-CB 3.84Å; F215-F248 WeakPolarHBondContact CD2-O 3.36Å; F215-F248 HydrophobicContact CE1-CB 4.17Å; F215-F248 HydrophobicContact CE2-CB 3.17Å; F215-F248 HydrophobicContact CE2-CG 4.3Å; F215-F248 HydrophobicContact CZ-CB 3.36Å; F215-F248 HydrophobicContact CZ-CD2 4.46Å; F215-F248 HydrophobicContact CZ-CG 4.04Å; F215-V249 HydrophobicContact CE2-CG2 4.2Å; F215-H252 HydrophobicContact CB-CB 4.49Å; F215-H252 HydrophobicContact CD2-CB 4.12Å
216	G	96.6	Very high	96.9	Very high	2 Å²	2	20.9 Å²	20.9	2%	0.021	11%	0.108	C	C	.	.	B	Isolated β-bridge	trans	-80.3	151.3	-178.9	0	0	0	0	0	113.9	P183 D211	P183-G216 CarbonylContact O-C 3.56Å; P183-G216 WeakPolarHBondContact O-CA 3.44Å; D211-G216 WeakPolarHBondContact O-CA 3.19Å; D211-G216 PolarHBondContact O-N 3.25Å
217	L	97.5	Very high	96.9	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.108	C	C	.	.	P	Polyproline II helix	trans	-78.8	123.3	-179.6	-178.4	65.6	0	0	0	111	P183 F188 T189 H209 H221	P183-L217 HydrophobicContact CB-CB 4.09Å; P183-L217 HydrophobicContact CB-CD2 4.35Å; P183-L217 VanDerWaalsContact O-CB 3.31Å; P183-L217 WeakPolarHBondContact O-CB 3.04Å; P183-L217 PolarHBondContact O-N 3.11Å; F188-L217 HydrophobicContact CB-CD1 4.03Å; T189-L217 VanDerWaalsContact CA-CD1 3.49Å; H209-L217 PolarHBondContact CE1-O 2.93Å; H209-L217 PolarHBondContact ND1-O 3.37Å; L217-H221 VanDerWaalsContact CD2-CD2 3.49Å; L217-H221 WeakPolarHBondContact CD2-CD2 3.4Å; L217-H221 WeakPolarHBondContact CD2-NE2 3.15Å; L217-H221 WeakPolarHBondContact CG-NE2 3.26Å
218	R	96.3	Very high	96.9	Very high	150 Å²	150	21 Å²	21	57%	0.566	11%	0.108	S	C	*	.	P	Polyproline II helix	trans	-74.6	140.1	-179.1	-66	178.3	-177.8	165.9	4.2	112	M212 H221	M212-R218 HydrophobicContact CB-CG 4.13Å; M212-R218 WeakPolarHBondContact O-CG 3.4Å; M212-R218 PolarHBondContact O-NE 3.03Å; R218-H221 PolarHBondContact O-NE2 2.93Å
219	G	94.7	Very high	96.9	Very high	30 Å²	30	21.7 Å²	21.7	31%	0.309	11%	0.112	S	C	.	.	S	Bend	trans	108.5	-165.1	172.6	0	0	0	0	0	112.8	H209 Y227	H209-G219 PolarHBondContact CE1-O 3.23Å; H209-G219 PolarHBondContact NE2-O 3.45Å; G219-Y227 VanDerWaalsContact C-OH 3.29Å; G219-Y227 PolarHBondContact O-OH 2.91Å
220	A	97.1	Very high	96.8	Very high	19 Å²	19	22 Å²	22	16%	0.157	12%	0.115	C	C	.	.			trans	-107.2	130.1	175.9	0	0	0	0	0	108.7	D225 Q316 K318	A220-D225 WeakPolarHBondContact CA-OD1 3.26Å; A220-D225 WeakPolarHBondContact CA-OD2 3.34Å; A220-D225 HydrophobicContact CB-CB 4.41Å; A220-D225 WeakPolarHBondContact CB-OD2 3.31Å; A220-Q316 PolarHBondContact O-NE2 3.08Å; A220-K318 HydrophobicContact CB-CG 4.48Å
221	H	97.9	Very high	96.8	Very high	10 Å²	10	22 Å²	22	5%	0.046	12%	0.115	C	C	.	.			trans	-135.4	6.2	-172.5	-58.7	-72.2	0	0	0	112.8	R196 D198 P199 V207 L217 R218 D225	R196-H221 PolarHBondContact NH1-ND1 3.11Å; D198-H221 CarbonylContact C-O 3.5Å; P199-H221 WeakPolarHBondContact CD-O 3.15Å; V207-H221 HydrophobicContact CG2-CB 4.33Å; L217-H221 VanDerWaalsContact CD2-CD2 3.49Å; L217-H221 WeakPolarHBondContact CD2-CD2 3.4Å; L217-H221 WeakPolarHBondContact CD2-NE2 3.15Å; L217-H221 WeakPolarHBondContact CG-NE2 3.26Å; R218-H221 PolarHBondContact O-NE2 2.93Å; H221-D225 PolarHBondContact N-OD1 3.12Å; H221-D225 PolarHBondContact N-OD2 3.19Å
222	G	98.3	Very high	96.7	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.132	C	C	.	.	S	Bend	trans	-127.1	178.7	172.7	0	0	0	0	0	112.7	V205 D225 Q316	V205-G222 CarbonylContact O-C 3.48Å; V205-G222 WeakPolarHBondContact O-CA 3.37Å; G222-D225 PolarHBondContact N-OD2 3.33Å; G222-Q316 WeakPolarHBondContact O-CG 3.34Å
223	H	98.4	Very high	96.6	Very high	19 Å²	19	28 Å²	28	9%	0.088	15%	0.147	C	C	.	.	S	Bend	trans	-65.2	-32.1	164.1	-66.3	100.8	0	0	0	110.8	P199 F204 V205 G315 T317	P199-H223 PolarHBondContact O-CE1 3.08Å; F204-H223 HydrophobicContact CD2-CB 4.04Å; F204-H223 HydrophobicContact CE2-CB 3.9Å; V205-H223 PolarHBondContact N-ND1 3.44Å; V205-H223 WeakPolarHBondContact O-CB 3.23Å; V205-H223 PolarHBondContact O-N 2.93Å; H223-G315 WeakPolarHBondContact CA-O 3.05Å; H223-T317 PolarHBondContact O-N 3.11Å
224	I	98.2	Very high	96.7	Very high	3 Å²	3	25.6 Å²	25.6	2%	0.015	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	133.6	168.8	-172.5	168.5	0	0	0	110.8	F204 V205 D206 V207 F226 P297 L311 T317 V319	F204-I224 HydrophobicContact CE1-CG2 4.27Å; F204-I224 HydrophobicContact CZ-CG2 3.69Å; V205-I224 PolarHBondContact O-N 2.74Å; D206-I224 WeakPolarHBondContact CA-O 3.16Å; D206-I224 HydrophobicContact CB-CG2 3.55Å; V207-I224 PolarHBondContact N-O 3.46Å; I224-F226 HydrophobicContact CB-CE2 4.47Å; I224-F226 HydrophobicContact CD1-CE1 4.31Å; I224-F226 HydrophobicContact CD1-CE2 3.74Å; I224-F226 HydrophobicContact CD1-CZ 3.61Å; I224-F226 HydrophobicContact CG1-CD2 4.23Å; I224-F226 HydrophobicContact CG1-CE2 3.86Å; I224-F226 HydrophobicContact CG1-CZ 4.22Å; I224-F226 HydrophobicContact CG2-CD2 4.44Å; I224-F226 HydrophobicContact CG2-CE2 3.82Å; I224-P297 HydrophobicContact CD1-CB 3.52Å; I224-P297 HydrophobicContact CD1-CG 3.83Å; I224-L311 HydrophobicContact CB-CD1 4.03Å; I224-L311 HydrophobicContact CB-CD2 4.05Å; I224-L311 HydrophobicContact CD1-CD1 4.05Å; I224-L311 HydrophobicContact CD1-CD2 4.08Å; I224-L311 HydrophobicContact CG1-CD2 4.34Å; I224-L311 HydrophobicContact CG2-CD1 4.13Å; I224-T317 CarbonylContact C-O 3.57Å; I224-T317 WeakPolarHBondContact CA-O 3.41Å; I224-V319 HydrophobicContact CD1-CG1 3.9Å; I224-V319 HydrophobicContact CD1-CG2 3.97Å; I224-V319 HydrophobicContact CG1-CG1 4.11Å; I224-V319 HydrophobicContact CG1-CG2 3.97Å
225	D	98.7	Very high	96.9	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	114	178	-71.5	-101.3	0	0	0	109.3	V207 H209 A220 H221 G222 Y227 T317 V319	V207-D225 WeakPolarHBondContact CB-OD1 3.41Å; V207-D225 CarbonylContact O-C 3.56Å; V207-D225 WeakPolarHBondContact O-CA 3.2Å; H209-D225 IonicContact CD2-OD1 3.2Å; H209-D225 IonicContact CE1-OD1 3.22Å; H209-D225 IonicContact NE2-OD1 3.63Å; H209-D225 PolarHBondContact NE2-OD1 2.8Å; A220-D225 WeakPolarHBondContact CA-OD1 3.26Å; A220-D225 WeakPolarHBondContact CA-OD2 3.34Å; A220-D225 HydrophobicContact CB-CB 4.41Å; A220-D225 WeakPolarHBondContact CB-OD2 3.31Å; H221-D225 PolarHBondContact N-OD1 3.12Å; H221-D225 PolarHBondContact N-OD2 3.19Å; G222-D225 PolarHBondContact N-OD2 3.33Å; D225-Y227 HydrophobicContact CB-CD2 4.44Å; D225-Y227 HydrophobicContact CB-CE2 3.54Å; D225-Y227 VanDerWaalsContact O-CD2 3.32Å; D225-Y227 WeakPolarHBondContact O-CD2 3.43Å; D225-Y227 WeakPolarHBondContact O-CE2 3.47Å; D225-T317 PolarHBondContact N-O 2.64Å; D225-V319 PolarHBondContact O-N 2.75Å
226	F	98.8	Very high	96.8	Very high	7 Å²	7	25.3 Å²	25.3	3%	0.031	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	122.7	176.6	-72.1	-90.2	0	0	0	110.2	V207 L208 H209 I224 P297 L299 V319 F321	V207-F226 PolarHBondContact O-N 2.84Å; L208-F226 HydrophobicContact CD1-CB 3.83Å; H209-F226 PolarHBondContact N-O 3.2Å; I224-F226 HydrophobicContact CB-CE2 4.47Å; I224-F226 HydrophobicContact CD1-CE1 4.31Å; I224-F226 HydrophobicContact CD1-CE2 3.74Å; I224-F226 HydrophobicContact CD1-CZ 3.61Å; I224-F226 HydrophobicContact CG1-CD2 4.23Å; I224-F226 HydrophobicContact CG1-CE2 3.86Å; I224-F226 HydrophobicContact CG1-CZ 4.22Å; I224-F226 HydrophobicContact CG2-CD2 4.44Å; I224-F226 HydrophobicContact CG2-CE2 3.82Å; F226-P297 HydrophobicContact CE1-CB 4.45Å; F226-P297 HydrophobicContact CZ-CB 4.16Å; F226-L299 HydrophobicContact CB-CD1 4.39Å; F226-L299 HydrophobicContact CD1-CB 4.02Å; F226-L299 HydrophobicContact CD1-CD1 4.45Å; F226-L299 HydrophobicContact CD2-CD1 4Å; F226-L299 HydrophobicContact CE1-CB 3.99Å; F226-L299 HydrophobicContact CE2-CD1 4.36Å; F226-L299 HydrophobicContact CG-CB 4.45Å; F226-L299 HydrophobicContact CG-CD1 4.04Å; F226-L299 HydrophobicContact CZ-CB 4.38Å; F226-V319 HydrophobicContact CB-CG2 4.22Å; F226-V319 HydrophobicContact CD1-CG2 3.25Å; F226-V319 HydrophobicContact CD2-CG2 4.27Å; F226-V319 HydrophobicContact CE1-CG2 3.56Å; F226-V319 HydrophobicContact CG-CG2 3.65Å; F226-V319 HydrophobicContact CZ-CG2 4.2Å; F226-F321 HydrophobicContact CB-CE1 4.07Å; F226-F321 HydrophobicContact CD1-CD1 4.29Å; F226-F321 AromaticContact CD1-CE1 3.94Å; F226-F321 HydrophobicContact CD1-CE1 3.94Å; F226-F321 HydrophobicContact CG-CE1 4.46Å
227	Y	98.8	Very high	96.5	Very high	7 Å²	7	25.7 Å²	25.7	3%	0.027	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	93.2	178.4	-60.8	-86.7	0	0	0	110	H209 M212 G219 D225 N229 G230 K318 V319 F320	H209-Y227 HydrophobicContact CB-CD1 3.67Å; H209-Y227 HydrophobicContact CB-CE1 4Å; H209-Y227 HydrophobicContact CB-CG 4.49Å; H209-Y227 AromaticContact CD2-CD1 3.83Å; H209-Y227 AromaticContact CD2-CE1 3.42Å; H209-Y227 VanDerWaalsContact CD2-CE1 3.42Å; H209-Y227 WeakPolarHBondContact CD2-CE1 3.37Å; H209-Y227 AromaticContact CD2-CZ 3.78Å; H209-Y227 AromaticContact CG-CD1 3.87Å; H209-Y227 AromaticContact CG-CE1 3.66Å; M212-Y227 HydrophobicContact CE-CD1 3.44Å; M212-Y227 VanDerWaalsContact CE-CD1 3.44Å; M212-Y227 HydrophobicContact CE-CE1 3.59Å; M212-Y227 HydrophobicContact SD-CD1 4Å; M212-Y227 HydrophobicContact SD-CE1 3.59Å; M212-Y227 VanDerWaalsContact SD-CE1 3.59Å; G219-Y227 VanDerWaalsContact C-OH 3.29Å; G219-Y227 PolarHBondContact O-OH 2.91Å; D225-Y227 HydrophobicContact CB-CD2 4.44Å; D225-Y227 HydrophobicContact CB-CE2 3.54Å; D225-Y227 VanDerWaalsContact O-CD2 3.32Å; D225-Y227 WeakPolarHBondContact O-CD2 3.43Å; D225-Y227 WeakPolarHBondContact O-CE2 3.47Å; Y227-N229 PolarHBondContact O-N 2.93Å; Y227-G230 PolarHBondContact O-N 3.24Å; Y227-K318 HydrophobicContact CD2-CB 4.27Å; Y227-K318 HydrophobicContact CE2-CB 3.69Å; Y227-K318 HydrophobicContact CE2-CD 4.03Å; Y227-K318 HydrophobicContact CE2-CG 3.7Å; Y227-V319 PolarHBondContact N-O 3.07Å; Y227-F320 VanDerWaalsContact CB-CD1 3.48Å; Y227-F320 HydrophobicContact CD2-CD1 4.29Å; Y227-F320 AromaticContact CD2-CE1 3.8Å; Y227-F320 HydrophobicContact CD2-CE1 3.8Å; Y227-F320 AromaticContact CD2-CZ 3.93Å; Y227-F320 HydrophobicContact CD2-CZ 3.93Å; Y227-F320 HydrophobicContact CE2-CZ 4.49Å; Y227-F320 HydrophobicContact CG-CD1 4.16Å; Y227-F320 AromaticContact CG-CE1 3.72Å; Y227-F320 HydrophobicContact CG-CE1 3.72Å; Y227-F320 HydrophobicContact CG-CZ 4.28Å
228	A	98.4	Very high	95.8	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	122.9	178.4	0	0	0	0	0	109.8	L208 H209 T210 G230 G231 Q234 L258 F321	L208-A228 HydrophobicContact CD1-CB 4.23Å; H209-A228 PolarHBondContact O-N 3.24Å; T210-A228 HydrophobicContact CG2-CB 4.13Å; A228-G230 PolarHBondContact O-N 2.98Å; A228-G231 WeakPolarHBondContact O-CA 3.31Å; A228-G231 PolarHBondContact O-N 2.96Å; A228-Q234 PolarHBondContact O-NE2 3.22Å; A228-Q234 PolarHBondContact O-OE1 2.93Å; A228-L258 HydrophobicContact CB-CD1 3.56Å; A228-F321 HydrophobicContact CB-CE1 4.23Å; A228-F321 HydrophobicContact CB-CE2 3.73Å; A228-F321 HydrophobicContact CB-CZ 3.57Å
229	N	97.8	Very high	94.6	Very high	16 Å²	16	29.5 Å²	29.5	9%	0.086	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	55.6	33.1	-177.1	-49.9	-68.6	0	0	0	112.8	Y227 G231 Q234 P235 Y277 F321 S322 T323	Y227-N229 PolarHBondContact O-N 2.93Å; N229-G231 VanDerWaalsContact C-N 3.29Å; N229-Q234 PolarHBondContact ND2-OE1 2.94Å; N229-P235 VanDerWaalsContact CG-CD 3.42Å; N229-P235 WeakPolarHBondContact ND2-CD 3.5Å; N229-Y277 VanDerWaalsContact C-CZ 3.41Å; N229-Y277 WeakPolarHBondContact CA-OH 3.34Å; N229-F321 PolarHBondContact N-O 3.34Å; N229-S322 VanDerWaalsContact OD1-CA 3.31Å; N229-S322 WeakPolarHBondContact OD1-CA 3.48Å; N229-T323 PolarHBondContact ND2-OG1 3.02Å; N229-T323 PolarHBondContact OD1-N 3.21Å
230	G	97.5	Very high	93.1	Very high	7 Å²	7	31.3 Å²	31.3	7%	0.072	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	85.6	-3.7	-174.2	0	0	0	0	0	114.5	M212 Y227 A228 Y277	M212-G230 WeakPolarHBondContact CE-O 3.41Å; Y227-G230 PolarHBondContact O-N 3.24Å; A228-G230 PolarHBondContact O-N 2.98Å; G230-Y277 VanDerWaalsContact CA-CG 3.48Å
231	G	97.4	Very high	91.4	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	75.5	25.8	178.4	0	0	0	0	0	114.1	H209 T210 D211 M212 A228 N229	H209-G231 VanDerWaalsContact O-CA 3.31Å; H209-G231 WeakPolarHBondContact O-CA 3.47Å; T210-G231 CarbonylContact C-O 3.56Å; D211-G231 PolarHBondContact N-O 2.98Å; M212-G231 VanDerWaalsContact CB-O 3.31Å; M212-G231 WeakPolarHBondContact CB-O 3.43Å; M212-G231 WeakPolarHBondContact CG-O 3.41Å; M212-G231 PolarHBondContact N-O 3.29Å; A228-G231 WeakPolarHBondContact O-CA 3.31Å; A228-G231 PolarHBondContact O-N 2.96Å; N229-G231 VanDerWaalsContact C-N 3.29Å
232	I	94.9	Very high	89.4	Confident	68 Å²	68	44.2 Å²	44.2	35%	0.349	24%	0.239	S	C	.	.	S	Bend	trans	-124.7	-83.7	-172.6	-62.3	-178.2	0	0	0	109.5	T210 M212 N213	T210-I232 CarbonylContact O-C 3.55Å; M212-I232 HydrophobicContact CE-CG1 4.4Å; N213-I232 HydrophobicContact CB-CG2 3.78Å; N213-I232 WeakPolarHBondContact ND2-CG2 3.35Å
233	D	93.8	Very high	87.5	Confident	83 Å²	83	46.5 Å²	46.5	44%	0.444	26%	0.255	S	S	.	.			trans	-107.5	125.7	-176.7	-52.8	-54.2	0	0	0	110.1	N213	N213-D233 PolarHBondContact ND2-OD1 3.32Å
234	Q	95.8	Very high	85.7	Confident	8 Å²	8	47.3 Å²	47.3	4%	0.037	27%	0.268	C	S	.	.			trans	-95.6	136.1	-175.1	-52.9	-60.1	-50.5	0	0	110.8	T210 A228 N229 G236 C237 D251 R254	T210-Q234 HydrophobicContact CG2-CG 4.48Å; T210-Q234 WeakPolarHBondContact O-CG 2.96Å; T210-Q234 PolarHBondContact O-NE2 3.08Å; A228-Q234 PolarHBondContact O-NE2 3.22Å; A228-Q234 PolarHBondContact O-OE1 2.93Å; N229-Q234 PolarHBondContact ND2-OE1 2.94Å; Q234-G236 PolarHBondContact O-N 3.48Å; Q234-C237 WeakPolarHBondContact O-CB 3.14Å; Q234-C237 PolarHBondContact O-N 3.03Å; Q234-C237 VanDerWaalsContact O-N 3.13Å; Q234-D251 WeakPolarHBondContact CA-OD1 3.45Å; Q234-D251 WeakPolarHBondContact CB-OD1 3.24Å; Q234-D251 HydrophobicContact CG-CB 4.15Å; Q234-D251 WeakPolarHBondContact CG-OD1 3.32Å; Q234-D251 PolarHBondContact N-OD1 2.84Å; Q234-R254 HydrophobicContact CB-CB 4.14Å; Q234-R254 HydrophobicContact CB-CG 3.88Å; Q234-R254 HydrophobicContact CG-CB 3.73Å; Q234-R254 HydrophobicContact CG-CG 3.69Å
235	P	95	Very high	83.9	Confident	41 Å²	41	54.3 Å²	54.3	27%	0.266	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.4	138.5	175.1	-28.8	38	0	0	0	111.8	N229 C237 R254 T323 A325	N229-P235 VanDerWaalsContact CG-CD 3.42Å; N229-P235 WeakPolarHBondContact ND2-CD 3.5Å; P235-C237 VanDerWaalsContact C-N 3.27Å; P235-C237 PolarHBondContact O-N 3.08Å; P235-R254 PolarHBondContact O-NH2 2.67Å; P235-T323 WeakPolarHBondContact CG-O 3.34Å; P235-A325 HydrophobicContact CB-CB 3.98Å; P235-A325 WeakPolarHBondContact O-CA 3.43Å
236	G	91.3	Very high	82.4	Confident	61 Å²	61	58.1 Å²	58.1	63%	0.629	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.6	-11.4	-178.4	0	0	0	0	0	115.4	Q234	Q234-G236 PolarHBondContact O-N 3.48Å
237	C	90.3	Very high	80.4	Confident	10 Å²	10	59.3 Å²	59.3	7%	0.068	33%	0.329	C	S	.	.	S	Bend	trans	-80.1	150.9	171.5	-67	0	0	0	0	111.2	Q234 P235 C250 D251	Q234-C237 WeakPolarHBondContact O-CB 3.14Å; Q234-C237 PolarHBondContact O-N 3.03Å; Q234-C237 VanDerWaalsContact O-N 3.13Å; P235-C237 VanDerWaalsContact C-N 3.27Å; P235-C237 PolarHBondContact O-N 3.08Å; C237-C250 WeakPolarHBondContact CA-SG 3.22Å; C237-C250 HydrophobicContact CB-CB 3.62Å; C237-C250 WeakPolarHBondContact CB-SG 3.44Å; C237-C250 WeakPolarHBondContact SG-CB 3.25Å; C237-C250 CovalentContact SG-SG 2.04Å; C237-C250 PolarHBondContact SG-SG 2.85Å; C237-D251 VanDerWaalsContact CB-OD1 3.26Å; C237-D251 WeakPolarHBondContact CB-OD1 3.32Å; C237-D251 PolarHBondContact SG-N 2.88Å; C237-D251 PolarHBondContact SG-OD1 3.14Å
238	P	81.8	Confident	78.5	Confident	42 Å²	42	61.2 Å²	61.2	27%	0.273	34%	0.338	S	S	.	.			trans	-55.3	146	175.5	-21.8	33	0	0	0	110.2	Y247	P238-Y247 HydrophobicContact CB-CD2 4.26Å; P238-Y247 WeakPolarHBondContact O-CD2 3.47Å; P238-Y247 WeakPolarHBondContact O-CE2 3.42Å
239	K	72.1	Confident	77.7	Confident	189 Å²	189	63.8 Å²	63.8	82%	0.822	35%	0.353	S	S	*	.			trans	-102	-0.6	-178.2	-66.5	-173	177.7	-176	0	114.1
240	T	62.3	Low	77.3	Confident	68 Å²	68	64.7 Å²	64.7	42%	0.417	36%	0.361	S	S	.	.			trans	-125	135.7	-173.2	65	0	0	0	0	111.6	F242 S243 Y247	T240-F242 PolarHBondContact O-N 2.82Å; T240-F242 VanDerWaalsContact O-N 3.12Å; T240-S243 VanDerWaalsContact O-CB 3.28Å; T240-S243 WeakPolarHBondContact O-CB 3.49Å; T240-S243 PolarHBondContact O-N 3.34Å; T240-S243 PolarHBondContact O-OG 3.48Å; T240-S243 PolarHBondContact OG1-OG 2.95Å; T240-S243 VanDerWaalsContact OG1-OG 3.05Å; T240-Y247 WeakPolarHBondContact O-CD2 3.28Å
241	I	61.7	Low	77.1	Confident	108 Å²	108	64.4 Å²	64.4	55%	0.554	36%	0.357	S	S	*	.	G	3₁₀ helix	trans	-58.3	-25.2	174.3	-157.9	164.5	0	0	0	112.6	S243 G244 F248	I241-S243 PolarHBondContact O-N 2.83Å; I241-G244 PolarHBondContact O-N 2.85Å; I241-F248 HydrophobicContact CD1-CE2 4.44Å; I241-F248 HydrophobicContact CD1-CZ 3.78Å; I241-F248 HydrophobicContact CG1-CE2 3.93Å; I241-F248 HydrophobicContact CG1-CZ 3.63Å
242	F	56.1	Low	77	Confident	192 Å²	192	65.5 Å²	65.5	84%	0.842	36%	0.362	S	S	*	.	G	3₁₀ helix	trans	-63.7	-17.1	174.2	-59.7	-66.3	0	0	0	113.5	T240 G244	T240-F242 PolarHBondContact O-N 2.82Å; T240-F242 VanDerWaalsContact O-N 3.12Å; F242-G244 PolarHBondContact O-N 2.81Å
243	S	58.3	Low	76.9	Confident	48 Å²	48	65.2 Å²	65.2	34%	0.336	36%	0.36	S	S	.	.	G	3₁₀ helix	trans	-76.7	3.2	172.2	-51	0	0	0	0	112.6	T240 I241 S246	T240-S243 VanDerWaalsContact O-CB 3.28Å; T240-S243 WeakPolarHBondContact O-CB 3.49Å; T240-S243 PolarHBondContact O-N 3.34Å; T240-S243 PolarHBondContact O-OG 3.48Å; T240-S243 PolarHBondContact OG1-OG 2.95Å; T240-S243 VanDerWaalsContact OG1-OG 3.05Å; I241-S243 PolarHBondContact O-N 2.83Å; S243-S246 PolarHBondContact O-N 3.41Å
244	G	60	Low	77.1	Confident	35 Å²	35	62.1 Å²	62.1	36%	0.361	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.3	-139.9	170.3	0	0	0	0	0	113.1	I241 F242 S246 Y247	I241-G244 PolarHBondContact O-N 2.85Å; F242-G244 PolarHBondContact O-N 2.81Å; G244-S246 PolarHBondContact O-N 2.77Å; G244-Y247 WeakPolarHBondContact O-CB 3.46Å; G244-Y247 PolarHBondContact O-N 3.09Å; G244-Y247 VanDerWaalsContact O-N 3.12Å
245	K	62.1	Low	77.2	Confident	151 Å²	151	61.7 Å²	61.7	66%	0.657	34%	0.34	S	S	*	.	H	α-helix	trans	-57.5	-30.8	-179.6	-70.8	-174.1	178	-178.5	0	112.8	Y247 F248 V249	K245-Y247 VanDerWaalsContact C-N 3.27Å; K245-Y247 PolarHBondContact O-N 3.49Å; K245-F248 PolarHBondContact O-N 2.93Å; K245-V249 VanDerWaalsContact O-CB 3.23Å; K245-V249 WeakPolarHBondContact O-CB 3.49Å; K245-V249 WeakPolarHBondContact O-CG2 3.34Å; K245-V249 PolarHBondContact O-N 3.16Å
246	S	66.6	Low	77.3	Confident	79 Å²	79	59.8 Å²	59.8	55%	0.552	33%	0.328	S	S	*	.	H	α-helix	trans	-67.8	-25.2	-179.5	-59.1	0	0	0	0	113.5	S243 G244 C250	S243-S246 PolarHBondContact O-N 3.41Å; G244-S246 PolarHBondContact O-N 2.77Å; S246-C250 VanDerWaalsContact O-CB 3.23Å; S246-C250 WeakPolarHBondContact O-CB 3.32Å; S246-C250 PolarHBondContact O-N 3.02Å
247	Y	56	Low	77.5	Confident	32 Å²	32	59.9 Å²	59.9	13%	0.125	31%	0.311	C	S	.	.	H	α-helix	trans	-62.3	-63.5	172.8	177.6	-104.4	0	0	0	109.8	P238 T240 G244 K245	P238-Y247 HydrophobicContact CB-CD2 4.26Å; P238-Y247 WeakPolarHBondContact O-CD2 3.47Å; P238-Y247 WeakPolarHBondContact O-CE2 3.42Å; T240-Y247 WeakPolarHBondContact O-CD2 3.28Å; G244-Y247 WeakPolarHBondContact O-CB 3.46Å; G244-Y247 PolarHBondContact O-N 3.09Å; G244-Y247 VanDerWaalsContact O-N 3.12Å; K245-Y247 VanDerWaalsContact C-N 3.27Å; K245-Y247 PolarHBondContact O-N 3.49Å
248	F	59.2	Low	77.9	Confident	48 Å²	48	59.4 Å²	59.4	21%	0.211	31%	0.307	C	S	.	.	H	α-helix	trans	-73.6	-33	-173.1	-55.1	-70.6	0	0	0	114.4	S214 F215 I241 K245 C250 H252	S214-F248 VanDerWaalsContact CB-CD1 3.42Å; S214-F248 WeakPolarHBondContact OG-CD1 3.26Å; S214-F248 WeakPolarHBondContact OG-CE1 3.18Å; F215-F248 HydrophobicContact CD2-CB 3.84Å; F215-F248 WeakPolarHBondContact CD2-O 3.36Å; F215-F248 HydrophobicContact CE1-CB 4.17Å; F215-F248 HydrophobicContact CE2-CB 3.17Å; F215-F248 HydrophobicContact CE2-CG 4.3Å; F215-F248 HydrophobicContact CZ-CB 3.36Å; F215-F248 HydrophobicContact CZ-CD2 4.46Å; F215-F248 HydrophobicContact CZ-CG 4.04Å; I241-F248 HydrophobicContact CD1-CE2 4.44Å; I241-F248 HydrophobicContact CD1-CZ 3.78Å; I241-F248 HydrophobicContact CG1-CE2 3.93Å; I241-F248 HydrophobicContact CG1-CZ 3.63Å; K245-F248 PolarHBondContact O-N 2.93Å; F248-C250 VanDerWaalsContact C-N 3.33Å; F248-H252 WeakPolarHBondContact O-CB 3.46Å; F248-H252 PolarHBondContact O-N 3.49Å
249	V	81.3	Confident	78.6	Confident	53 Å²	53	57.5 Å²	57.5	32%	0.321	30%	0.295	S	S	.	.	H	α-helix	trans	-73.3	-28.9	-178.5	174.5	0	0	0	0	111.5	F215 K245 Q253	F215-V249 HydrophobicContact CE2-CG2 4.2Å; K245-V249 VanDerWaalsContact O-CB 3.23Å; K245-V249 WeakPolarHBondContact O-CB 3.49Å; K245-V249 WeakPolarHBondContact O-CG2 3.34Å; K245-V249 PolarHBondContact O-N 3.16Å; V249-Q253 HydrophobicContact CG1-CG 3.95Å; V249-Q253 VanDerWaalsContact O-CB 3.3Å; V249-Q253 WeakPolarHBondContact O-CB 3.43Å; V249-Q253 VanDerWaalsContact O-CG 3.26Å; V249-Q253 WeakPolarHBondContact O-CG 3.38Å; V249-Q253 PolarHBondContact O-N 3.42Å
250	C	89.4	Confident	79.7	Confident	35 Å²	35	49.2 Å²	49.2	24%	0.236	26%	0.26	C	S	.	.	H	α-helix	trans	-66.9	-50.5	-177.6	-177.5	0	0	0	0	111.9	C237 S246 F248 H252 Q253 R254	C237-C250 WeakPolarHBondContact CA-SG 3.22Å; C237-C250 HydrophobicContact CB-CB 3.62Å; C237-C250 WeakPolarHBondContact CB-SG 3.44Å; C237-C250 WeakPolarHBondContact SG-CB 3.25Å; C237-C250 CovalentContact SG-SG 2.04Å; C237-C250 PolarHBondContact SG-SG 2.85Å; S246-C250 VanDerWaalsContact O-CB 3.23Å; S246-C250 WeakPolarHBondContact O-CB 3.32Å; S246-C250 PolarHBondContact O-N 3.02Å; F248-C250 VanDerWaalsContact C-N 3.33Å; C250-H252 VanDerWaalsContact C-N 3.32Å; C250-H252 PolarHBondContact O-N 2.99Å; C250-Q253 PolarHBondContact O-N 2.74Å; C250-R254 PolarHBondContact O-N 3.46Å
251	D	93.8	Very high	81.3	Confident	1 Å²	1	46.2 Å²	46.2	1%	0.005	24%	0.241	C	C	.	.	H	α-helix	trans	-61.3	-44.6	178.7	-67.5	-47.7	0	0	0	110.5	T210 D211 Q234 C237 Q253 R254	T210-D251 VanDerWaalsContact CB-O 3.26Å; T210-D251 WeakPolarHBondContact CB-O 3.38Å; T210-D251 PolarHBondContact OG1-O 3.24Å; D211-D251 HydrophobicContact CB-CB 3.83Å; Q234-D251 WeakPolarHBondContact CA-OD1 3.45Å; Q234-D251 WeakPolarHBondContact CB-OD1 3.24Å; Q234-D251 HydrophobicContact CG-CB 4.15Å; Q234-D251 WeakPolarHBondContact CG-OD1 3.32Å; Q234-D251 PolarHBondContact N-OD1 2.84Å; C237-D251 VanDerWaalsContact CB-OD1 3.26Å; C237-D251 WeakPolarHBondContact CB-OD1 3.32Å; C237-D251 PolarHBondContact SG-N 2.88Å; C237-D251 PolarHBondContact SG-OD1 3.14Å; D251-Q253 PolarHBondContact O-N 2.04Å; D251-R254 WeakPolarHBondContact O-CB 3.4Å; D251-R254 PolarHBondContact O-N 3.13Å; D251-R254 VanDerWaalsContact O-N 3.11Å
252	H	95.2	Very high	82.9	Confident	23 Å²	23	41.6 Å²	41.6	11%	0.106	22%	0.219	C	C	.	.	H	α-helix	trans	-61.1	-43.4	178.3	-166.4	55.6	0	0	0	113.1	S158 D182 D211 F215 F248 C250 R254 S255	S158-H252 WeakPolarHBondContact CB-NE2 3.26Å; S158-H252 PolarHBondContact OG-CE1 2.98Å; S158-H252 PolarHBondContact OG-NE2 3.46Å; D182-H252 PolarHBondContact O-CE1 3.41Å; D182-H252 WeakPolarHBondContact OD2-CA 3.34Å; D182-H252 IonicContact OD2-CE1 3.6Å; D182-H252 IonicContact OD2-CG 3.67Å; D182-H252 IonicContact OD2-ND1 2.74Å; D182-H252 PolarHBondContact OD2-ND1 3.4Å; D211-H252 HydrophobicContact CB-CB 4.23Å; F215-H252 HydrophobicContact CB-CB 4.49Å; F215-H252 HydrophobicContact CD2-CB 4.12Å; F248-H252 WeakPolarHBondContact O-CB 3.46Å; F248-H252 PolarHBondContact O-N 3.49Å; C250-H252 VanDerWaalsContact C-N 3.32Å; C250-H252 PolarHBondContact O-N 2.99Å; H252-R254 VanDerWaalsContact C-N 3.27Å; H252-R254 PolarHBondContact O-N 3.46Å; H252-S255 PolarHBondContact O-OG 3.34Å
253	Q	93.9	Very high	84.7	Confident	62 Å²	62	32.6 Å²	32.6	29%	0.29	18%	0.18	S	C	.	.	H	α-helix	trans	-72	-18.3	177.4	-74.5	-173.9	-14.4	0	0	113.6	V249 C250 D251 S255 V256 F257	V249-Q253 HydrophobicContact CG1-CG 3.95Å; V249-Q253 VanDerWaalsContact O-CB 3.3Å; V249-Q253 WeakPolarHBondContact O-CB 3.43Å; V249-Q253 VanDerWaalsContact O-CG 3.26Å; V249-Q253 WeakPolarHBondContact O-CG 3.38Å; V249-Q253 PolarHBondContact O-N 3.42Å; C250-Q253 PolarHBondContact O-N 2.74Å; D251-Q253 PolarHBondContact O-N 2.04Å; Q253-S255 PolarHBondContact O-N 3.1Å; Q253-V256 PolarHBondContact O-N 3.39Å; Q253-V256 VanDerWaalsContact O-N 3.16Å; Q253-F257 HydrophobicContact CB-CD2 4.42Å; Q253-F257 HydrophobicContact CB-CE2 4.02Å; Q253-F257 WeakPolarHBondContact O-CD2 3.38Å; Q253-F257 PolarHBondContact O-N 2.72Å
254	R	96.7	Very high	86.3	Confident	18 Å²	18	32.9 Å²	32.9	7%	0.068	18%	0.178	C	C	.	.	H	α-helix	trans	-58.2	-35.2	179.3	-175.4	63.7	70.4	-167.2	13.6	111.6	T210 Q234 P235 C250 D251 H252 V256 F257 L258 A325 Y329	T210-R254 HydrophobicContact CG2-CB 4.17Å; T210-R254 HydrophobicContact CG2-CG 4.24Å; Q234-R254 HydrophobicContact CB-CB 4.14Å; Q234-R254 HydrophobicContact CB-CG 3.88Å; Q234-R254 HydrophobicContact CG-CB 3.73Å; Q234-R254 HydrophobicContact CG-CG 3.69Å; P235-R254 PolarHBondContact O-NH2 2.67Å; C250-R254 PolarHBondContact O-N 3.46Å; D251-R254 WeakPolarHBondContact O-CB 3.4Å; D251-R254 PolarHBondContact O-N 3.13Å; D251-R254 VanDerWaalsContact O-N 3.11Å; H252-R254 VanDerWaalsContact C-N 3.27Å; H252-R254 PolarHBondContact O-N 3.46Å; R254-V256 VanDerWaalsContact C-N 3.3Å; R254-V256 PolarHBondContact O-N 3.16Å; R254-F257 PolarHBondContact O-N 3.43Å; R254-F257 VanDerWaalsContact O-N 3.14Å; R254-L258 HydrophobicContact CG-CD1 3.89Å; R254-L258 HydrophobicContact CG-CG 3.94Å; R254-L258 WeakPolarHBondContact O-CG 2.94Å; R254-L258 PolarHBondContact O-N 2.94Å; R254-A325 PolarHBondContact NH2-O 3.44Å; R254-Y329 PolarHBondContact NH1-OH 2.84Å
255	S	97.6	Very high	87.7	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-52.7	-47.2	176.6	58.9	0	0	0	0	112.4	L208 T210 H252 Q253 L258 F259	L208-S255 VanDerWaalsContact CD2-O 3.3Å; L208-S255 WeakPolarHBondContact CD2-O 3.44Å; T210-S255 WeakPolarHBondContact OG1-CB 3.36Å; T210-S255 PolarHBondContact OG1-N 3.4Å; H252-S255 PolarHBondContact O-OG 3.34Å; Q253-S255 PolarHBondContact O-N 3.1Å; S255-L258 PolarHBondContact O-N 2.96Å; S255-F259 WeakPolarHBondContact O-CB 3.48Å; S255-F259 PolarHBondContact O-N 2.94Å
256	V	97.1	Very high	88.9	Confident	1 Å²	1	36.3 Å²	36.3	1%	0.006	18%	0.182	C	C	.	.	H	α-helix	trans	-63.5	-47.1	177.8	-177.3	0	0	0	0	110.7	W91 V157 L181 Q253 R254 L258 F259 L260	W91-V256 HydrophobicContact CB-CG1 3.8Å; W91-V256 HydrophobicContact CD2-CG1 3.72Å; W91-V256 HydrophobicContact CE3-CG1 4.2Å; W91-V256 HydrophobicContact CG-CG1 3.52Å; V157-V256 HydrophobicContact CB-CG2 4.5Å; V157-V256 HydrophobicContact CG1-CG2 3.7Å; V157-V256 HydrophobicContact CG2-CG2 3.9Å; L181-V256 HydrophobicContact CD1-CG2 4.5Å; Q253-V256 PolarHBondContact O-N 3.39Å; Q253-V256 VanDerWaalsContact O-N 3.16Å; R254-V256 VanDerWaalsContact C-N 3.3Å; R254-V256 PolarHBondContact O-N 3.16Å; V256-L258 PolarHBondContact O-N 2.9Å; V256-F259 PolarHBondContact O-N 3.25Å; V256-L260 HydrophobicContact CG1-CD1 4.08Å; V256-L260 HydrophobicContact CG1-CG 4.18Å; V256-L260 WeakPolarHBondContact O-CB 3.31Å; V256-L260 VanDerWaalsContact O-CG 3.25Å; V256-L260 WeakPolarHBondContact O-CG 3.39Å; V256-L260 PolarHBondContact O-N 3.05Å
257	F	96.6	Very high	90	Very high	62 Å²	62	33 Å²	33	27%	0.272	16%	0.159	S	C	.	.	H	α-helix	trans	-66.5	-35.6	-178.4	-65.8	-61.7	0	0	0	113.6	I90 Q253 R254 L260 C261 Y329	I90-F257 HydrophobicContact CD1-CZ 4.29Å; Q253-F257 HydrophobicContact CB-CD2 4.42Å; Q253-F257 HydrophobicContact CB-CE2 4.02Å; Q253-F257 WeakPolarHBondContact O-CD2 3.38Å; Q253-F257 PolarHBondContact O-N 2.72Å; R254-F257 PolarHBondContact O-N 3.43Å; R254-F257 VanDerWaalsContact O-N 3.14Å; F257-L260 HydrophobicContact CD1-CD1 4.23Å; F257-C261 VanDerWaalsContact O-CB 3.25Å; F257-C261 WeakPolarHBondContact O-CB 3.44Å; F257-C261 PolarHBondContact O-N 3.12Å; F257-Y329 HydrophobicContact CB-CE2 4.15Å
258	L	97.8	Very high	91.7	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-67	-41.8	173.1	-66.9	180	0	0	0	111.1	L208 T210 A228 R254 S255 V256 C261 A262 L269 L299 F321 T323 Y329	L208-L258 HydrophobicContact CD2-CB 4.11Å; T210-L258 HydrophobicContact CG2-CD1 4.18Å; A228-L258 HydrophobicContact CB-CD1 3.56Å; R254-L258 HydrophobicContact CG-CD1 3.89Å; R254-L258 HydrophobicContact CG-CG 3.94Å; R254-L258 WeakPolarHBondContact O-CG 2.94Å; R254-L258 PolarHBondContact O-N 2.94Å; S255-L258 PolarHBondContact O-N 2.96Å; V256-L258 PolarHBondContact O-N 2.9Å; L258-C261 PolarHBondContact O-N 3.21Å; L258-A262 WeakPolarHBondContact O-CB 3.43Å; L258-A262 PolarHBondContact O-N 3.19Å; L258-L269 HydrophobicContact CB-CD1 3.95Å; L258-L269 HydrophobicContact CD2-CD1 3.94Å; L258-L269 HydrophobicContact CG-CD1 4.43Å; L258-L299 HydrophobicContact CB-CD2 4.13Å; L258-F321 HydrophobicContact CD1-CE2 4.34Å; L258-F321 HydrophobicContact CD1-CZ 4.36Å; L258-T323 HydrophobicContact CD1-CG2 4.25Å; L258-T323 HydrophobicContact CD2-CG2 3.84Å; L258-Y329 HydrophobicContact CD2-CD1 4.31Å; L258-Y329 HydrophobicContact CD2-CD2 3.75Å; L258-Y329 HydrophobicContact CD2-CG 3.63Å
259	F	97.4	Very high	93.4	Very high	3 Å²	3	36.5 Å²	36.5	1%	0.013	17%	0.171	C	C	.	.	H	α-helix	trans	-64.2	-45.9	176.2	-171	-109	0	0	0	112.3	I95 I155 T179 L181 S255 V256 C261 A262 L263	I95-F259 HydrophobicContact CD1-CD1 4.06Å; I95-F259 HydrophobicContact CD1-CE1 4.04Å; I155-F259 HydrophobicContact CD1-CE1 4.15Å; I155-F259 HydrophobicContact CD1-CZ 4.25Å; I155-F259 HydrophobicContact CG2-CE1 4.04Å; I155-F259 HydrophobicContact CG2-CZ 4.45Å; T179-F259 HydrophobicContact CG2-CD2 4.42Å; T179-F259 HydrophobicContact CG2-CE2 3.94Å; T179-F259 HydrophobicContact CG2-CZ 4.37Å; L181-F259 HydrophobicContact CD1-CB 3.96Å; L181-F259 HydrophobicContact CD1-CD1 3.81Å; L181-F259 HydrophobicContact CD1-CE1 4.47Å; L181-F259 HydrophobicContact CD1-CG 3.91Å; L181-F259 HydrophobicContact CD2-CB 3.84Å; L181-F259 HydrophobicContact CD2-CD1 4.49Å; L181-F259 HydrophobicContact CD2-CD2 3.92Å; L181-F259 HydrophobicContact CD2-CG 3.84Å; S255-F259 WeakPolarHBondContact O-CB 3.48Å; S255-F259 PolarHBondContact O-N 2.94Å; V256-F259 PolarHBondContact O-N 3.25Å; F259-C261 VanDerWaalsContact C-N 3.32Å; F259-C261 PolarHBondContact O-N 3.11Å; F259-A262 PolarHBondContact O-N 3.48Å; F259-L263 HydrophobicContact CD1-CD1 3.83Å; F259-L263 HydrophobicContact CD1-CG 4.26Å; F259-L263 HydrophobicContact CE1-CD1 3.47Å; F259-L263 VanDerWaalsContact CE1-CD1 3.47Å; F259-L263 HydrophobicContact CE1-CD2 4.41Å; F259-L263 HydrophobicContact CE1-CG 3.99Å; F259-L263 HydrophobicContact CZ-CD1 4.09Å; F259-L263 HydrophobicContact CZ-CD2 4.2Å; F259-L263 HydrophobicContact CZ-CG 4.19Å; F259-L263 WeakPolarHBondContact O-CG 3.15Å; F259-L263 PolarHBondContact O-N 3.46Å
260	L	95.9	Very high	94	Very high	15 Å²	15	35 Å²	35	8%	0.079	16%	0.162	C	C	.	.	H	α-helix	trans	-57.6	-44.4	173.8	-70.4	176.6	0	0	0	111.8	W91 R94 I95 L98 V256 F257 A262 L263 N264	W91-L260 HydrophobicContact CB-CD1 4.09Å; R94-L260 HydrophobicContact CB-CD1 4.48Å; R94-L260 HydrophobicContact CB-CD2 4.39Å; R94-L260 HydrophobicContact CG-CD1 4.25Å; R94-L260 HydrophobicContact CG-CD2 4.12Å; I95-L260 HydrophobicContact CB-CD2 3.61Å; I95-L260 HydrophobicContact CG1-CD2 4.01Å; L98-L260 HydrophobicContact CD1-CB 4.22Å; L98-L260 HydrophobicContact CD1-CD2 3.88Å; L98-L260 WeakPolarHBondContact CD1-O 3.49Å; V256-L260 HydrophobicContact CG1-CD1 4.08Å; V256-L260 HydrophobicContact CG1-CG 4.18Å; V256-L260 WeakPolarHBondContact O-CB 3.31Å; V256-L260 VanDerWaalsContact O-CG 3.25Å; V256-L260 WeakPolarHBondContact O-CG 3.39Å; V256-L260 PolarHBondContact O-N 3.05Å; F257-L260 HydrophobicContact CD1-CD1 4.23Å; L260-A262 VanDerWaalsContact C-N 3.31Å; L260-A262 PolarHBondContact O-N 2.82Å; L260-L263 PolarHBondContact O-N 2.74Å; L260-N264 VanDerWaalsContact O-CB 3.23Å; L260-N264 WeakPolarHBondContact O-CB 3.4Å; L260-N264 PolarHBondContact O-N 3.17Å
261	C	95.3	Very high	94.3	Very high	4 Å²	4	33.3 Å²	33.3	3%	0.027	15%	0.15	C	C	.	.	H	α-helix	trans	-63.6	-38.4	179	178.4	0	0	0	0	112.3	F257 L258 F259 R265 T266 C267 L327 Y329	F257-C261 VanDerWaalsContact O-CB 3.25Å; F257-C261 WeakPolarHBondContact O-CB 3.44Å; F257-C261 PolarHBondContact O-N 3.12Å; L258-C261 PolarHBondContact O-N 3.21Å; F259-C261 VanDerWaalsContact C-N 3.32Å; F259-C261 PolarHBondContact O-N 3.11Å; C261-R265 PolarHBondContact O-N 3.38Å; C261-T266 PolarHBondContact O-N 2.79Å; C261-T266 PolarHBondContact O-OG1 2.81Å; C261-T266 PolarHBondContact SG-OG1 3.49Å; C261-C267 HydrophobicContact CB-CB 4.47Å; C261-C267 WeakPolarHBondContact CB-SG 3.39Å; C261-C267 PolarHBondContact O-N 3.28Å; C261-C267 PolarHBondContact O-SG 2.99Å; C261-C267 WeakPolarHBondContact SG-CB 3.3Å; C261-C267 CovalentContact SG-SG 2.02Å; C261-C267 PolarHBondContact SG-SG 3.47Å; C261-L327 HydrophobicContact CB-CD1 3.92Å; C261-L327 VanDerWaalsContact SG-CD1 3.52Å; C261-Y329 HydrophobicContact CB-CD2 4.01Å; C261-Y329 HydrophobicContact CB-CE2 4.43Å
262	A	94.5	Very high	94.5	Very high	11 Å²	11	34 Å²	34	9%	0.091	15%	0.153	C	C	.	.	H	α-helix	trans	-68.3	-46.5	176	0	0	0	0	0	112.2	L258 F259 L260 N264 R265 L299	L258-A262 WeakPolarHBondContact O-CB 3.43Å; L258-A262 PolarHBondContact O-N 3.19Å; F259-A262 PolarHBondContact O-N 3.48Å; L260-A262 VanDerWaalsContact C-N 3.31Å; L260-A262 PolarHBondContact O-N 2.82Å; A262-N264 VanDerWaalsContact C-N 3.3Å; A262-N264 PolarHBondContact O-N 2.92Å; A262-R265 PolarHBondContact O-N 2.86Å; A262-L299 VanDerWaalsContact CB-O 3.31Å; A262-L299 WeakPolarHBondContact CB-O 3.31Å
263	L	93.5	Very high	94.5	Very high	3 Å²	3	34.4 Å²	34.4	2%	0.016	16%	0.158	C	C	.	.	H	α-helix	trans	-58.7	-41.8	175.5	-73.3	-180	0	0	0	112	I95 L98 L99 Q102 F259 L260 R265	I95-L263 HydrophobicContact CG1-CD1 4.25Å; L98-L263 HydrophobicContact CB-CB 4.12Å; L98-L263 HydrophobicContact CB-CD1 4.3Å; L98-L263 HydrophobicContact CD1-CB 4.21Å; L99-L263 HydrophobicContact CD2-CD1 3.94Å; L99-L263 HydrophobicContact CD2-CD2 4.33Å; L99-L263 HydrophobicContact CG-CD1 4.21Å; Q102-L263 HydrophobicContact CG-CD2 4.31Å; Q102-L263 PolarHBondContact NE2-O 3.33Å; F259-L263 HydrophobicContact CD1-CD1 3.83Å; F259-L263 HydrophobicContact CD1-CG 4.26Å; F259-L263 HydrophobicContact CE1-CD1 3.47Å; F259-L263 VanDerWaalsContact CE1-CD1 3.47Å; F259-L263 HydrophobicContact CE1-CD2 4.41Å; F259-L263 HydrophobicContact CE1-CG 3.99Å; F259-L263 HydrophobicContact CZ-CD1 4.09Å; F259-L263 HydrophobicContact CZ-CD2 4.2Å; F259-L263 HydrophobicContact CZ-CG 4.19Å; F259-L263 WeakPolarHBondContact O-CG 3.15Å; F259-L263 PolarHBondContact O-N 3.46Å; L260-L263 PolarHBondContact O-N 2.74Å; L263-R265 PolarHBondContact O-N 2.94Å
264	N	92.6	Very high	94.7	Very high	55 Å²	55	32.1 Å²	32.1	29%	0.294	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-3.7	178.1	-165.8	31.4	0	0	0	113.5	R94 L98 L260 A262 T266	R94-N264 PolarHBondContact NH2-ND2 3.32Å; R94-N264 PolarHBondContact NH2-OD1 3.25Å; L98-N264 HydrophobicContact CD1-CB 3.98Å; L98-N264 HydrophobicContact CD2-CB 3.68Å; L98-N264 WeakPolarHBondContact CD2-OD1 3.16Å; L260-N264 VanDerWaalsContact O-CB 3.23Å; L260-N264 WeakPolarHBondContact O-CB 3.4Å; L260-N264 PolarHBondContact O-N 3.17Å; A262-N264 VanDerWaalsContact C-N 3.3Å; A262-N264 PolarHBondContact O-N 2.92Å; N264-T266 HydrophobicContact CB-CG2 4.36Å; N264-T266 WeakPolarHBondContact ND2-CG2 3.29Å; N264-T266 PolarHBondContact O-N 2.01Å
265	R	89.7	Confident	94.6	Very high	198 Å²	198	35.5 Å²	35.5	75%	0.747	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.5	15.1	-176.2	-53.1	180	-175.7	170	4.1	114.2	C261 A262 L263 C267	C261-R265 PolarHBondContact O-N 3.38Å; A262-R265 PolarHBondContact O-N 2.86Å; L263-R265 PolarHBondContact O-N 2.94Å; R265-C267 PolarHBondContact O-N 3.03Å
266	T	86.7	Confident	94.5	Very high	59 Å²	59	37.6 Å²	37.6	36%	0.362	19%	0.189	S	C	.	.	S	Bend	trans	-73.6	-19.6	174.5	40.9	0	0	0	0	112.3	C261 N264	C261-T266 PolarHBondContact O-N 2.79Å; C261-T266 PolarHBondContact O-OG1 2.81Å; C261-T266 PolarHBondContact SG-OG1 3.49Å; N264-T266 HydrophobicContact CB-CG2 4.36Å; N264-T266 WeakPolarHBondContact ND2-CG2 3.29Å; N264-T266 PolarHBondContact O-N 2.01Å
267	C	89.5	Confident	94.6	Very high	10 Å²	10	40.4 Å²	40.4	7%	0.068	20%	0.2	C	C	.	.			trans	-140	151.8	172.6	59.1	0	0	0	0	111.8	C261 R265 L269 P328	C261-C267 HydrophobicContact CB-CB 4.47Å; C261-C267 WeakPolarHBondContact CB-SG 3.39Å; C261-C267 PolarHBondContact O-N 3.28Å; C261-C267 PolarHBondContact O-SG 2.99Å; C261-C267 WeakPolarHBondContact SG-CB 3.3Å; C261-C267 CovalentContact SG-SG 2.02Å; C261-C267 PolarHBondContact SG-SG 3.47Å; R265-C267 PolarHBondContact O-N 3.03Å; C267-L269 HydrophobicContact CB-CD2 4.46Å; C267-L269 HydrophobicContact CB-CG 4.38Å; C267-P328 HydrophobicContact CB-CB 4.42Å; C267-P328 WeakPolarHBondContact CB-O 3.37Å
268	R	91.6	Very high	94.6	Very high	148 Å²	148	40.6 Å²	40.6	56%	0.558	21%	0.209	S	C	*	.			trans	-116.6	92.5	176.5	-173.7	177.7	175.9	149.9	1.7	109.2	T270 V298	R268-T270 PolarHBondContact O-N 2.85Å; R268-V298 HydrophobicContact CG-CG1 4.04Å; R268-V298 HydrophobicContact CG-CG2 4.45Å
269	L	94.7	Very high	94.5	Very high	5 Å²	5	46 Å²	46	3%	0.026	23%	0.23	C	C	.	.			trans	-90.1	86.4	-175.4	-60.7	174.7	0	0	0	109.7	L258 C267 V298 L299 F321 T323	L258-L269 HydrophobicContact CB-CD1 3.95Å; L258-L269 HydrophobicContact CD2-CD1 3.94Å; L258-L269 HydrophobicContact CG-CD1 4.43Å; C267-L269 HydrophobicContact CB-CD2 4.46Å; C267-L269 HydrophobicContact CB-CG 4.38Å; L269-V298 WeakPolarHBondContact O-CA 3.36Å; L269-L299 HydrophobicContact CB-CB 4.08Å; L269-L299 HydrophobicContact CB-CD2 4.45Å; L269-L299 HydrophobicContact CD1-CD2 3.82Å; L269-L299 PolarHBondContact O-N 2.89Å; L269-F321 HydrophobicContact CB-CD2 4.27Å; L269-F321 HydrophobicContact CB-CE2 3.96Å; L269-F321 HydrophobicContact CB-CZ 4.2Å; L269-F321 HydrophobicContact CD1-CE2 4.12Å; L269-F321 HydrophobicContact CD1-CZ 4.39Å; L269-F321 HydrophobicContact CD2-CD2 4.17Å; L269-F321 HydrophobicContact CD2-CE2 3.94Å; L269-F321 HydrophobicContact CG-CE2 4.22Å; L269-T323 HydrophobicContact CD2-CG2 4.14Å
270	T	95.1	Very high	94.5	Very high	21 Å²	21	46.1 Å²	46.1	13%	0.129	23%	0.23	C	C	.	.	B	Isolated β-bridge	trans	-81.3	117.6	-176	-56.4	0	0	0	0	110.5	R268 Y272 C296 F321	R268-T270 PolarHBondContact O-N 2.85Å; T270-Y272 HydrophobicContact CG2-CE2 4.19Å; T270-C296 HydrophobicContact CG2-CB 3.27Å; T270-F321 VanDerWaalsContact O-CB 3.3Å; T270-F321 WeakPolarHBondContact O-CB 2.87Å
271	G	96	Very high	94.6	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.233	C	C	.	.	P	Polyproline II helix	trans	-87.2	129.1	177.2	0	0	0	0	0	112	P297	G271-P297 PolarHBondContact N-O 2.67Å
272	Y	96.6	Very high	94.5	Very high	15 Å²	15	47.7 Å²	47.7	6%	0.059	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	122.7	177.9	-69.2	-85.7	0	0	0	112	T270 C274 F280 C285 V319 F320	T270-Y272 HydrophobicContact CG2-CE2 4.19Å; Y272-C274 PolarHBondContact O-N 3.03Å; Y272-F280 AromaticContact CD2-CE2 3.76Å; Y272-F280 HydrophobicContact CD2-CE2 3.76Å; Y272-F280 HydrophobicContact CG-CE2 4.15Å; Y272-C285 VanDerWaalsContact CB-O 3.24Å; Y272-C285 WeakPolarHBondContact CB-O 3.31Å; Y272-V319 CarbonylContact O-C 3.59Å; Y272-V319 VanDerWaalsContact O-CA 3.28Å; Y272-V319 WeakPolarHBondContact O-CA 3.34Å; Y272-F320 PolarHBondContact N-O 3.5Å; Y272-F320 PolarHBondContact O-N 3.29Å
273	P	96.4	Very high	94.6	Very high	33 Å²	33	47.1 Å²	47.1	21%	0.214	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.3	124.8	178.3	-23.3	34.6	0	0	0	111.7	C285 C288 F291 T317 K318 V319	P273-C285 WeakPolarHBondContact O-CB 3.06Å; P273-C288 WeakPolarHBondContact CD-SG 3.49Å; P273-F291 HydrophobicContact CG-CD2 4.25Å; P273-F291 HydrophobicContact CG-CE2 3.54Å; P273-T317 HydrophobicContact CB-CG2 4.48Å; P273-K318 WeakPolarHBondContact CA-O 3.48Å; P273-V319 HydrophobicContact CB-CG1 4.45Å; P273-V319 HydrophobicContact CG-CG1 4.1Å
274	C	96.7	Very high	94.6	Very high	14 Å²	14	51 Å²	51	10%	0.095	25%	0.252	C	S	.	.			trans	-153.5	158.3	178.1	-153.4	0	0	0	0	111	Y272 S276 R279 F280 C285 K318 F320	Y272-C274 PolarHBondContact O-N 3.03Å; C274-S276 PolarHBondContact SG-O 2.95Å; C274-S276 VanDerWaalsContact SG-O 3.39Å; C274-R279 VanDerWaalsContact SG-CB 3.59Å; C274-F280 HydrophobicContact CB-CB 4.29Å; C274-F280 PolarHBondContact SG-N 2.79Å; C274-F280 VanDerWaalsContact SG-N 3.41Å; C274-C285 VanDerWaalsContact CA-SG 3.51Å; C274-C285 HydrophobicContact CB-CB 3.43Å; C274-C285 VanDerWaalsContact CB-CB 3.43Å; C274-C285 WeakPolarHBondContact CB-SG 3.34Å; C274-C285 WeakPolarHBondContact SG-CB 3.44Å; C274-C285 CovalentContact SG-SG 2.04Å; C274-C285 PolarHBondContact SG-SG 3.47Å; C274-K318 PolarHBondContact N-O 3.18Å; C274-K318 VanDerWaalsContact N-O 3.15Å; C274-F320 HydrophobicContact CB-CD2 3.65Å; C274-F320 HydrophobicContact CB-CE2 3.96Å; C274-F320 WeakPolarHBondContact O-CE2 3.45Å
275	S	95.4	Very high	94.7	Very high	89 Å²	89	49.3 Å²	49.3	62%	0.622	24%	0.244	S	C	*	.	S	Bend	trans	-80.2	-22.7	176.2	52.7	0	0	0	0	113.3	R279	S275-R279 VanDerWaalsContact OG-CD 3.25Å; S275-R279 WeakPolarHBondContact OG-CD 3.35Å; S275-R279 PolarHBondContact OG-NE 3.05Å
276	S	96.6	Very high	94.8	Very high	43 Å²	43	40.5 Å²	40.5	30%	0.301	21%	0.212	S	C	.	.			trans	-156.7	157.4	174.6	73.1	0	0	0	0	112.4	C274 S278 R279 F280	C274-S276 PolarHBondContact SG-O 2.95Å; C274-S276 VanDerWaalsContact SG-O 3.39Å; S276-S278 VanDerWaalsContact C-N 3.31Å; S276-S278 PolarHBondContact O-N 2.82Å; S276-R279 PolarHBondContact O-N 2.83Å; S276-R279 WeakPolarHBondContact OG-CG 3.38Å; S276-R279 PolarHBondContact OG-N 2.93Å; S276-F280 PolarHBondContact O-N 3.34Å; S276-F280 VanDerWaalsContact O-N 3.15Å
277	Y	97.3	Very high	94.9	Very high	60 Å²	60	42.1 Å²	42.1	24%	0.235	22%	0.215	C	C	.	.	H	α-helix	trans	-62.5	-37.4	176.7	-172.2	-127.7	0	0	0	112.5	N229 G230 R279 F280 L281 F320 S322	N229-Y277 VanDerWaalsContact C-CZ 3.41Å; N229-Y277 WeakPolarHBondContact CA-OH 3.34Å; G230-Y277 VanDerWaalsContact CA-CG 3.48Å; Y277-R279 VanDerWaalsContact C-N 3.33Å; Y277-R279 PolarHBondContact O-N 3.34Å; Y277-F280 AromaticContact CD2-CD1 3.68Å; Y277-F280 HydrophobicContact CD2-CD1 3.68Å; Y277-F280 HydrophobicContact CD2-CE1 4.4Å; Y277-F280 AromaticContact CE2-CD1 3.56Å; Y277-F280 HydrophobicContact CE2-CD1 3.56Å; Y277-F280 AromaticContact CE2-CE1 3.85Å; Y277-F280 HydrophobicContact CE2-CE1 3.85Å; Y277-F280 WeakPolarHBondContact O-CB 3.38Å; Y277-F280 PolarHBondContact O-N 3.09Å; Y277-F280 VanDerWaalsContact O-N 3.15Å; Y277-L281 HydrophobicContact CD1-CD1 4.01Å; Y277-L281 HydrophobicContact CD1-CG 4.41Å; Y277-L281 HydrophobicContact CE1-CD1 3.65Å; Y277-L281 HydrophobicContact CE1-CD2 4.42Å; Y277-L281 HydrophobicContact CE1-CG 4.12Å; Y277-L281 HydrophobicContact CE2-CD2 4.18Å; Y277-L281 HydrophobicContact CE2-CG 4.25Å; Y277-L281 WeakPolarHBondContact O-CG 3.36Å; Y277-L281 PolarHBondContact O-N 3.12Å; Y277-F320 HydrophobicContact CD2-CB 4.11Å; Y277-F320 AromaticContact CD2-CD1 3.59Å; Y277-F320 HydrophobicContact CD2-CD1 3.59Å; Y277-F320 HydrophobicContact CD2-CE1 4.41Å; Y277-F320 HydrophobicContact CD2-CG 4.11Å; Y277-F320 HydrophobicContact CG-CD1 4.08Å; Y277-F320 HydrophobicContact CG-CE1 4.48Å; Y277-S322 PolarHBondContact OH-OG 2.76Å
278	S	96.7	Very high	94.9	Very high	66 Å²	66	42.3 Å²	42.3	46%	0.462	22%	0.216	S	C	.	.	H	α-helix	trans	-60.4	-40.4	176	166.9	0	0	0	0	112.3	S276 F280 L281 D282	S276-S278 VanDerWaalsContact C-N 3.31Å; S276-S278 PolarHBondContact O-N 2.82Å; S278-F280 VanDerWaalsContact C-N 3.34Å; S278-L281 PolarHBondContact O-N 2.88Å; S278-D282 WeakPolarHBondContact O-CB 3.2Å; S278-D282 VanDerWaalsContact O-CG 3.31Å; S278-D282 PolarHBondContact O-N 2.64Å
279	R	97	Very high	94.7	Very high	115 Å²	115	39.3 Å²	39.3	43%	0.434	21%	0.212	S	C	.	.	H	α-helix	trans	-70.4	-31.8	176.2	-71.6	178	69.4	91.5	2.4	112.6	C274 S275 S276 Y277 D282 G283 Q284	C274-R279 VanDerWaalsContact SG-CB 3.59Å; S275-R279 VanDerWaalsContact OG-CD 3.25Å; S275-R279 WeakPolarHBondContact OG-CD 3.35Å; S275-R279 PolarHBondContact OG-NE 3.05Å; S276-R279 PolarHBondContact O-N 2.83Å; S276-R279 WeakPolarHBondContact OG-CG 3.38Å; S276-R279 PolarHBondContact OG-N 2.93Å; Y277-R279 VanDerWaalsContact C-N 3.33Å; Y277-R279 PolarHBondContact O-N 3.34Å; R279-D282 PolarHBondContact O-N 2.78Å; R279-G283 PolarHBondContact O-N 3.05Å; R279-Q284 WeakPolarHBondContact O-CB 3.4Å; R279-Q284 PolarHBondContact O-N 3.25Å; R279-Q284 VanDerWaalsContact O-N 3.07Å
280	F	97.3	Very high	94.2	Very high	4 Å²	4	42.3 Å²	42.3	2%	0.018	24%	0.237	C	C	.	.	H	α-helix	trans	-62.7	-48.3	171	165.6	-102.1	0	0	0	110.9	Y272 C274 S276 Y277 S278 D282 G283 L286 F320 L381	Y272-F280 AromaticContact CD2-CE2 3.76Å; Y272-F280 HydrophobicContact CD2-CE2 3.76Å; Y272-F280 HydrophobicContact CG-CE2 4.15Å; C274-F280 HydrophobicContact CB-CB 4.29Å; C274-F280 PolarHBondContact SG-N 2.79Å; C274-F280 VanDerWaalsContact SG-N 3.41Å; S276-F280 PolarHBondContact O-N 3.34Å; S276-F280 VanDerWaalsContact O-N 3.15Å; Y277-F280 AromaticContact CD2-CD1 3.68Å; Y277-F280 HydrophobicContact CD2-CD1 3.68Å; Y277-F280 HydrophobicContact CD2-CE1 4.4Å; Y277-F280 AromaticContact CE2-CD1 3.56Å; Y277-F280 HydrophobicContact CE2-CD1 3.56Å; Y277-F280 AromaticContact CE2-CE1 3.85Å; Y277-F280 HydrophobicContact CE2-CE1 3.85Å; Y277-F280 WeakPolarHBondContact O-CB 3.38Å; Y277-F280 PolarHBondContact O-N 3.09Å; Y277-F280 VanDerWaalsContact O-N 3.15Å; S278-F280 VanDerWaalsContact C-N 3.34Å; F280-D282 VanDerWaalsContact C-N 3.31Å; F280-D282 PolarHBondContact O-N 2.95Å; F280-G283 WeakPolarHBondContact O-CA 3.33Å; F280-G283 PolarHBondContact O-N 2.84Å; F280-L286 HydrophobicContact CD2-CD2 4.4Å; F280-L286 HydrophobicContact CE2-CD2 4.21Å; F280-F320 HydrophobicContact CB-CB 4.03Å; F280-F320 HydrophobicContact CB-CG 4.37Å; F280-F320 HydrophobicContact CD1-CB 3.92Å; F280-F320 HydrophobicContact CD2-CB 4.13Å; F280-F320 HydrophobicContact CE1-CB 4.43Å; F280-F320 HydrophobicContact CG-CB 3.74Å; F280-L381 HydrophobicContact CD1-CD2 4.33Å; F280-L381 HydrophobicContact CD2-CD2 4.47Å; F280-L381 HydrophobicContact CE1-CD2 3.84Å; F280-L381 HydrophobicContact CE2-CD2 4Å; F280-L381 HydrophobicContact CZ-CD2 3.66Å
281	L	96.8	Very high	93.9	Very high	27 Å²	27	41.8 Å²	41.8	14%	0.141	23%	0.233	C	C	.	.	H	α-helix	trans	-64.3	-32.6	175.3	-65.8	-179.6	0	0	0	113	Y277 S278 G283 H367	Y277-L281 HydrophobicContact CD1-CD1 4.01Å; Y277-L281 HydrophobicContact CD1-CG 4.41Å; Y277-L281 HydrophobicContact CE1-CD1 3.65Å; Y277-L281 HydrophobicContact CE1-CD2 4.42Å; Y277-L281 HydrophobicContact CE1-CG 4.12Å; Y277-L281 HydrophobicContact CE2-CD2 4.18Å; Y277-L281 HydrophobicContact CE2-CG 4.25Å; Y277-L281 WeakPolarHBondContact O-CG 3.36Å; Y277-L281 PolarHBondContact O-N 3.12Å; S278-L281 PolarHBondContact O-N 2.88Å; L281-G283 PolarHBondContact O-N 3.37Å; L281-G283 VanDerWaalsContact O-N 3.08Å; L281-H367 VanDerWaalsContact C-CE1 3.43Å; L281-H367 HydrophobicContact CD1-CB 3.91Å; L281-H367 PolarHBondContact O-CE1 3.31Å
282	D	95.1	Very high	93.6	Very high	25 Å²	25	48.6 Å²	48.6	13%	0.134	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	0.7	169.8	-73.9	-14.4	0	0	0	113.2	S278 R279 F280 Q284 H367	S278-D282 WeakPolarHBondContact O-CB 3.2Å; S278-D282 VanDerWaalsContact O-CG 3.31Å; S278-D282 PolarHBondContact O-N 2.64Å; R279-D282 PolarHBondContact O-N 2.78Å; F280-D282 VanDerWaalsContact C-N 3.31Å; F280-D282 PolarHBondContact O-N 2.95Å; D282-Q284 VanDerWaalsContact C-N 3.26Å; D282-Q284 HydrophobicContact CB-CG 3.87Å; D282-Q284 VanDerWaalsContact CB-NE2 3.35Å; D282-Q284 PolarHBondContact O-N 2.83Å; D282-Q284 PolarHBondContact OD2-NE2 3.3Å; D282-H367 IonicContact OD1-CD2 3.63Å; D282-H367 IonicContact OD1-CE1 3.28Å; D282-H367 IonicContact OD1-NE2 2.73Å; D282-H367 PolarHBondContact OD1-NE2 2.65Å
283	G	95.1	Very high	93.3	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	69.9	18.2	178.8	0	0	0	0	0	114.4	R279 F280 L281 C285 L286 R379	R279-G283 PolarHBondContact O-N 3.05Å; F280-G283 WeakPolarHBondContact O-CA 3.33Å; F280-G283 PolarHBondContact O-N 2.84Å; L281-G283 PolarHBondContact O-N 3.37Å; L281-G283 VanDerWaalsContact O-N 3.08Å; G283-C285 VanDerWaalsContact C-N 3.35Å; G283-L286 WeakPolarHBondContact O-CG 3.32Å; G283-R379 WeakPolarHBondContact O-CD 3.21Å
284	Q	94.8	Very high	93	Very high	84 Å²	84	54.1 Å²	54.1	39%	0.393	30%	0.302	S	S	.	.	S	Bend	trans	-81.6	-17.7	-174.1	-59.7	175.9	19.2	0	0	113	R279 D282	R279-Q284 WeakPolarHBondContact O-CB 3.4Å; R279-Q284 PolarHBondContact O-N 3.25Å; R279-Q284 VanDerWaalsContact O-N 3.07Å; D282-Q284 VanDerWaalsContact C-N 3.26Å; D282-Q284 HydrophobicContact CB-CG 3.87Å; D282-Q284 VanDerWaalsContact CB-NE2 3.35Å; D282-Q284 PolarHBondContact O-N 2.83Å; D282-Q284 PolarHBondContact OD2-NE2 3.3Å
285	C	94.3	Very high	92.7	Very high	19 Å²	19	56.1 Å²	56.1	13%	0.128	32%	0.316	C	S	.	.			trans	-124.6	45.4	-169	-63.6	0	0	0	0	112	Y272 P273 C274 G283	Y272-C285 VanDerWaalsContact CB-O 3.24Å; Y272-C285 WeakPolarHBondContact CB-O 3.31Å; P273-C285 WeakPolarHBondContact O-CB 3.06Å; C274-C285 VanDerWaalsContact CA-SG 3.51Å; C274-C285 HydrophobicContact CB-CB 3.43Å; C274-C285 VanDerWaalsContact CB-CB 3.43Å; C274-C285 WeakPolarHBondContact CB-SG 3.34Å; C274-C285 WeakPolarHBondContact SG-CB 3.44Å; C274-C285 CovalentContact SG-SG 2.04Å; C274-C285 PolarHBondContact SG-SG 3.47Å; G283-C285 VanDerWaalsContact C-N 3.35Å
286	L	91.7	Very high	92.6	Very high	14 Å²	14	52.7 Å²	52.7	7%	0.073	29%	0.292	C	S	.	.			trans	-97.4	19.4	-172.8	-54.7	177	0	0	0	113.5	F280 G283 R335 L381 L420	F280-L286 HydrophobicContact CD2-CD2 4.4Å; F280-L286 HydrophobicContact CE2-CD2 4.21Å; G283-L286 WeakPolarHBondContact O-CG 3.32Å; L286-R335 HydrophobicContact CD1-CB 3.76Å; L286-R335 HydrophobicContact CD1-CG 3.76Å; L286-L381 HydrophobicContact CD1-CD1 4.12Å; L286-L381 HydrophobicContact CD2-CD1 3.75Å; L286-L381 HydrophobicContact CD2-CD2 4.08Å; L286-L381 HydrophobicContact CD2-CG 4.35Å; L286-L420 HydrophobicContact CB-CD1 4.23Å; L286-L420 HydrophobicContact CB-CD2 4.21Å; L286-L420 HydrophobicContact CD1-CD1 4.1Å; L286-L420 HydrophobicContact CD2-CD1 3.91Å; L286-L420 HydrophobicContact CG-CD1 4.29Å
287	Q	88.4	Confident	92.5	Very high	93 Å²	93	50.7 Å²	50.7	44%	0.435	28%	0.278	S	S	.	.			trans	-140.3	156.1	-178.2	-62.6	-175.2	41.5	0	0	109.9
288	C	88.9	Confident	92.4	Very high	13 Å²	13	49 Å²	49	9%	0.088	27%	0.274	C	S	.	.			trans	-123.7	50.4	-175.3	-67.1	0	0	0	0	111.1	P273 A290 F291 C296	P273-C288 WeakPolarHBondContact CD-SG 3.49Å; C288-A290 PolarHBondContact O-N 3.4Å; C288-F291 HydrophobicContact CB-CD2 4.07Å; C288-F291 PolarHBondContact O-N 2.86Å; C288-C296 HydrophobicContact CB-CB 3.81Å; C288-C296 WeakPolarHBondContact CB-SG 3.45Å; C288-C296 WeakPolarHBondContact SG-CA 3.23Å; C288-C296 WeakPolarHBondContact SG-CB 3.47Å; C288-C296 CovalentContact SG-SG 2.01Å; C288-C296 PolarHBondContact SG-SG 2.68Å
289	D	87.7	Confident	92.3	Very high	86 Å²	86	45.9 Å²	45.9	46%	0.46	25%	0.252	S	S	.	.	G	3₁₀ helix	trans	-58.3	-34.1	-174.8	-66.8	-44.1	0	0	0	112.8	F291 K292	D289-F291 PolarHBondContact O-N 2.8Å; D289-F291 VanDerWaalsContact O-N 3.11Å; D289-K292 PolarHBondContact O-N 2.76Å; D289-K292 WeakPolarHBondContact OD1-CE 3.36Å; D289-K292 IonicContact OD1-NZ 3.17Å; D289-K292 PolarHBondContact OD1-NZ 2.86Å
290	A	85.2	Confident	91.8	Very high	68 Å²	68	40.7 Å²	40.7	56%	0.562	24%	0.235	S	C	*	.	G	3₁₀ helix	trans	-61.6	-16.9	177.6	0	0	0	0	0	114.2	C288 M314	C288-A290 PolarHBondContact O-N 3.4Å; A290-M314 HydrophobicContact CB-CE 4.31Å
291	F	89.3	Confident	91.2	Very high	9 Å²	9	42.1 Å²	42.1	4%	0.039	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-108.1	0.7	-179	-60.7	-65.8	0	0	0	113.6	P273 C288 D289 A294 P297 W307 A310 L311 M314 T317	P273-F291 HydrophobicContact CG-CD2 4.25Å; P273-F291 HydrophobicContact CG-CE2 3.54Å; C288-F291 HydrophobicContact CB-CD2 4.07Å; C288-F291 PolarHBondContact O-N 2.86Å; D289-F291 PolarHBondContact O-N 2.8Å; D289-F291 VanDerWaalsContact O-N 3.11Å; F291-A294 CarbonylContact C-O 3.6Å; F291-A294 VanDerWaalsContact O-CA 3.32Å; F291-A294 WeakPolarHBondContact O-CA 3.35Å; F291-A294 WeakPolarHBondContact O-CB 3.48Å; F291-A294 PolarHBondContact O-N 2.79Å; F291-P297 HydrophobicContact CD2-CG 3.98Å; F291-P297 HydrophobicContact CE1-CG 4.42Å; F291-P297 HydrophobicContact CE2-CG 3.65Å; F291-P297 HydrophobicContact CG-CG 4.47Å; F291-P297 HydrophobicContact CZ-CG 3.91Å; F291-W307 AromaticContact CD1-CD1 3.94Å; F291-A310 HydrophobicContact CD1-CB 4.09Å; F291-A310 HydrophobicContact CE1-CB 4.17Å; F291-L311 HydrophobicContact CE1-CD2 3.62Å; F291-L311 HydrophobicContact CE1-CG 3.85Å; F291-L311 HydrophobicContact CZ-CD2 3.53Å; F291-L311 HydrophobicContact CZ-CG 4.25Å; F291-M314 HydrophobicContact CD1-CE 4.17Å; F291-M314 HydrophobicContact CE1-CE 3.47Å; F291-M314 VanDerWaalsContact CE1-CE 3.47Å; F291-M314 HydrophobicContact CZ-CE 3.9Å; F291-T317 HydrophobicContact CZ-CG2 4.34Å
292	K	89.6	Confident	90.4	Very high	144 Å²	144	43.5 Å²	43.5	63%	0.626	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.4	138.8	179.2	-78.5	175.6	170.4	166.3	0	111	D289	D289-K292 PolarHBondContact O-N 2.76Å; D289-K292 WeakPolarHBondContact OD1-CE 3.36Å; D289-K292 IonicContact OD1-NZ 3.17Å; D289-K292 PolarHBondContact OD1-NZ 2.86Å
293	P	89.3	Confident	89.9	Confident	142 Å²	142	47.3 Å²	47.3	92%	0.922	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	cis	-83.1	-3	8.7	34.4	-36.7	0	0	0	115.1
294	A	89.8	Confident	89.5	Confident	22 Å²	22	47.9 Å²	47.9	18%	0.182	27%	0.272	C	S	.	.	S	Bend	trans	-68.4	157.1	177.1	0	0	0	0	0	112	F291 Q306	F291-A294 CarbonylContact C-O 3.6Å; F291-A294 VanDerWaalsContact O-CA 3.32Å; F291-A294 WeakPolarHBondContact O-CA 3.35Å; F291-A294 WeakPolarHBondContact O-CB 3.48Å; F291-A294 PolarHBondContact O-N 2.79Å; A294-Q306 HydrophobicContact CB-CB 4.06Å; A294-Q306 HydrophobicContact CB-CG 4.23Å
295	S	90.5	Very high	89.2	Confident	55 Å²	55	47.6 Å²	47.6	39%	0.385	28%	0.279	S	S	.	.			trans	-72.3	175	173.1	67.2	0	0	0	0	111.4	W307	S295-W307 PolarHBondContact O-NE1 3.03Å
296	C	92.8	Very high	89.1	Confident	18 Å²	18	51.5 Å²	51.5	12%	0.122	30%	0.295	C	S	.	.			trans	-52.8	144.7	168.1	-66.3	0	0	0	0	112.6	T270 C288 W307	T270-C296 HydrophobicContact CG2-CB 3.27Å; C288-C296 HydrophobicContact CB-CB 3.81Å; C288-C296 WeakPolarHBondContact CB-SG 3.45Å; C288-C296 WeakPolarHBondContact SG-CA 3.23Å; C288-C296 WeakPolarHBondContact SG-CB 3.47Å; C288-C296 CovalentContact SG-SG 2.01Å; C288-C296 PolarHBondContact SG-SG 2.68Å; C296-W307 WeakPolarHBondContact O-CZ2 3.41Å
297	P	94.8	Very high	89.2	Confident	1 Å²	1	51.2 Å²	51.2	1%	0.006	29%	0.294	C	S	.	.			trans	-51.9	138.7	170.5	-27.1	35.8	0	0	0	112.5	I224 F226 G271 F291 W307	I224-P297 HydrophobicContact CD1-CB 3.52Å; I224-P297 HydrophobicContact CD1-CG 3.83Å; F226-P297 HydrophobicContact CE1-CB 4.45Å; F226-P297 HydrophobicContact CZ-CB 4.16Å; G271-P297 PolarHBondContact N-O 2.67Å; F291-P297 HydrophobicContact CD2-CG 3.98Å; F291-P297 HydrophobicContact CE1-CG 4.42Å; F291-P297 HydrophobicContact CE2-CG 3.65Å; F291-P297 HydrophobicContact CG-CG 4.47Å; F291-P297 HydrophobicContact CZ-CG 3.91Å; P297-W307 VanDerWaalsContact CA-CE2 3.5Å; P297-W307 VanDerWaalsContact CA-CZ2 3.45Å; P297-W307 HydrophobicContact CB-CD2 4.3Å; P297-W307 HydrophobicContact CG-CD2 4.42Å; P297-W307 HydrophobicContact CG-CG 4.31Å
298	V	94.9	Very high	89.4	Confident	23 Å²	23	50.8 Å²	50.8	14%	0.139	29%	0.288	C	S	.	.	B	Isolated β-bridge	trans	-119	127.1	177.7	-176.3	0	0	0	0	108.4	R268 L269 S301 W307	R268-V298 HydrophobicContact CG-CG1 4.04Å; R268-V298 HydrophobicContact CG-CG2 4.45Å; L269-V298 WeakPolarHBondContact O-CA 3.36Å; V298-S301 WeakPolarHBondContact O-CB 3.42Å; V298-S301 PolarHBondContact O-N 2.91Å; V298-W307 HydrophobicContact CB-CH2 4.04Å; V298-W307 HydrophobicContact CG2-CH2 4.09Å; V298-W307 HydrophobicContact CG2-CZ2 4.45Å; V298-W307 VanDerWaalsContact N-CH2 3.33Å
299	L	94.9	Very high	89.5	Confident	2 Å²	2	56.3 Å²	56.3	1%	0.01	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	142.8	176.2	175.1	69.7	0	0	0	110.1	L208 F226 L258 A262 L269 S301 F321	L208-L299 HydrophobicContact CB-CD1 4.2Å; L208-L299 HydrophobicContact CD1-CD1 4.31Å; L208-L299 HydrophobicContact CD1-CD2 4Å; L208-L299 HydrophobicContact CD2-CD1 4.18Å; L208-L299 HydrophobicContact CD2-CD2 3.71Å; L208-L299 HydrophobicContact CG-CD1 4.48Å; L208-L299 HydrophobicContact CG-CD2 4.44Å; F226-L299 HydrophobicContact CB-CD1 4.39Å; F226-L299 HydrophobicContact CD1-CB 4.02Å; F226-L299 HydrophobicContact CD1-CD1 4.45Å; F226-L299 HydrophobicContact CD2-CD1 4Å; F226-L299 HydrophobicContact CE1-CB 3.99Å; F226-L299 HydrophobicContact CE2-CD1 4.36Å; F226-L299 HydrophobicContact CG-CB 4.45Å; F226-L299 HydrophobicContact CG-CD1 4.04Å; F226-L299 HydrophobicContact CZ-CB 4.38Å; L258-L299 HydrophobicContact CB-CD2 4.13Å; A262-L299 VanDerWaalsContact CB-O 3.31Å; A262-L299 WeakPolarHBondContact CB-O 3.31Å; L269-L299 HydrophobicContact CB-CB 4.08Å; L269-L299 HydrophobicContact CB-CD2 4.45Å; L269-L299 HydrophobicContact CD1-CD2 3.82Å; L269-L299 PolarHBondContact O-N 2.89Å; L299-S301 PolarHBondContact O-N 2.81Å; L299-S301 VanDerWaalsContact O-N 3.13Å; L299-F321 HydrophobicContact CD2-CE1 4.48Å; L299-F321 HydrophobicContact CD2-CZ 3.95Å
300	G	86.3	Confident	89.9	Confident	6 Å²	6	53.7 Å²	53.7	6%	0.062	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	68.7	7.3	175.3	0	0	0	0	0	114.5	Y302	G300-Y302 PolarHBondContact O-N 2.84Å; G300-Y302 VanDerWaalsContact O-N 3.14Å
301	S	85.3	Confident	90.4	Very high	33 Å²	33	50.6 Å²	50.6	23%	0.231	28%	0.281	C	S	.	.			trans	-61.5	118.1	169.1	-167.3	0	0	0	0	109.1	R177 V298 L299 N303 I304	R177-S301 PolarHBondContact NH1-O 3.19Å; V298-S301 WeakPolarHBondContact O-CB 3.42Å; V298-S301 PolarHBondContact O-N 2.91Å; L299-S301 PolarHBondContact O-N 2.81Å; L299-S301 VanDerWaalsContact O-N 3.13Å; S301-N303 PolarHBondContact OG-O 3.34Å; S301-I304 WeakPolarHBondContact O-CG2 3.49Å
302	Y	79.5	Confident	90.7	Very high	57 Å²	57	53 Å²	53	22%	0.224	30%	0.296	C	S	.	.	S	Bend	trans	-69.4	-44.7	178.3	-164	-99	0	0	0	110.5	Q102 E103 M105 R177 G300 I304	Q102-Y302 HydrophobicContact CB-CD2 4.43Å; Q102-Y302 HydrophobicContact CB-CG 4.33Å; Q102-Y302 HydrophobicContact CG-CD2 4.33Å; Q102-Y302 HydrophobicContact CG-CG 4.45Å; E103-Y302 HydrophobicContact CG-CE1 3.86Å; E103-Y302 WeakPolarHBondContact OE1-CE1 3.46Å; E103-Y302 PolarHBondContact OE1-OH 2.98Å; M105-Y302 HydrophobicContact CE-CE1 4.42Å; M105-Y302 HydrophobicContact CE-CE2 3.9Å; M105-Y302 VanDerWaalsContact CE-OH 3.31Å; M105-Y302 WeakPolarHBondContact CE-OH 3.28Å; R177-Y302 PolarHBondContact NH1-O 3.26Å; G300-Y302 PolarHBondContact O-N 2.84Å; G300-Y302 VanDerWaalsContact O-N 3.14Å; Y302-I304 PolarHBondContact O-N 3.46Å
303	N	84	Confident	90.9	Very high	105 Å²	105	55.3 Å²	55.3	56%	0.561	31%	0.306	S	S	*	.			trans	-83.1	114.2	170.5	-169.7	-10.7	0	0	0	110.5	S301 S305	S301-N303 PolarHBondContact OG-O 3.34Å; N303-S305 WeakPolarHBondContact OD1-CB 3.43Å; N303-S305 PolarHBondContact OD1-N 3.41Å; N303-S305 VanDerWaalsContact OD1-N 3.1Å; N303-S305 PolarHBondContact OD1-OG 3.24Å
304	I	88.7	Confident	91.2	Very high	11 Å²	11	52.4 Å²	52.4	6%	0.056	28%	0.281	C	S	.	.			trans	-114.8	5.4	179.7	59.3	165.9	0	0	0	112.9	F204 S301 Y302 Q306 W307 R308	F204-I304 HydrophobicContact CB-CD1 4.04Å; F204-I304 HydrophobicContact CD1-CD1 3.11Å; F204-I304 HydrophobicContact CD2-CD1 4.12Å; F204-I304 HydrophobicContact CE1-CD1 3.4Å; F204-I304 HydrophobicContact CE1-CG2 4.48Å; F204-I304 HydrophobicContact CE2-CD1 4.37Å; F204-I304 HydrophobicContact CG-CD1 3.49Å; F204-I304 VanDerWaalsContact CG-CD1 3.49Å; F204-I304 HydrophobicContact CZ-CD1 4.03Å; S301-I304 WeakPolarHBondContact O-CG2 3.49Å; Y302-I304 PolarHBondContact O-N 3.46Å; I304-Q306 PolarHBondContact O-N 2.88Å; I304-Q306 VanDerWaalsContact O-N 3.11Å; I304-W307 PolarHBondContact O-N 3.11Å; I304-R308 PolarHBondContact O-N 3.47Å
305	S	87.9	Confident	91.4	Very high	79 Å²	79	53 Å²	53	55%	0.552	29%	0.29	S	S	*	.	H	α-helix	trans	-56	-35	-172.2	62.9	0	0	0	0	112.6	N303 W307	N303-S305 WeakPolarHBondContact OD1-CB 3.43Å; N303-S305 PolarHBondContact OD1-N 3.41Å; N303-S305 VanDerWaalsContact OD1-N 3.1Å; N303-S305 PolarHBondContact OD1-OG 3.24Å; S305-W307 PolarHBondContact O-N 2.89Å
306	Q	90.6	Very high	91.7	Very high	100 Å²	100	55 Å²	55	47%	0.467	29%	0.293	S	S	.	.	H	α-helix	trans	-68.1	-16	178.7	69.5	-176.4	11	0	0	114.9	A294 I304	A294-Q306 HydrophobicContact CB-CB 4.06Å; A294-Q306 HydrophobicContact CB-CG 4.23Å; I304-Q306 PolarHBondContact O-N 2.88Å; I304-Q306 VanDerWaalsContact O-N 3.11Å
307	W	93.8	Very high	91.9	Very high	9 Å²	9	54.9 Å²	54.9	3%	0.034	29%	0.291	C	S	.	.	H	α-helix	trans	-118.2	-23	179.6	-55.8	-55.8	0	0	0	113.8	F291 S295 C296 P297 V298 I304 S305 D309 A310 L311	F291-W307 AromaticContact CD1-CD1 3.94Å; S295-W307 PolarHBondContact O-NE1 3.03Å; C296-W307 WeakPolarHBondContact O-CZ2 3.41Å; P297-W307 VanDerWaalsContact CA-CE2 3.5Å; P297-W307 VanDerWaalsContact CA-CZ2 3.45Å; P297-W307 HydrophobicContact CB-CD2 4.3Å; P297-W307 HydrophobicContact CG-CD2 4.42Å; P297-W307 HydrophobicContact CG-CG 4.31Å; V298-W307 HydrophobicContact CB-CH2 4.04Å; V298-W307 HydrophobicContact CG2-CH2 4.09Å; V298-W307 HydrophobicContact CG2-CZ2 4.45Å; V298-W307 VanDerWaalsContact N-CH2 3.33Å; I304-W307 PolarHBondContact O-N 3.11Å; S305-W307 PolarHBondContact O-N 2.89Å; W307-D309 PolarHBondContact O-N 2.77Å; W307-A310 PolarHBondContact O-N 3.14Å; W307-L311 HydrophobicContact CB-CD1 3.69Å; W307-L311 HydrophobicContact CB-CG 4.24Å; W307-L311 WeakPolarHBondContact O-CB 3.43Å; W307-L311 WeakPolarHBondContact O-CG 3.31Å; W307-L311 PolarHBondContact O-N 2.93Å
308	R	92.8	Very high	92	Very high	83 Å²	83	59 Å²	59	31%	0.313	31%	0.309	S	S	.	.	H	α-helix	trans	-51.1	-58.1	-168.9	-179.4	-176.5	-76.5	178.5	-7.4	112.2	F204 I304 A310 L311 V312	F204-R308 HydrophobicContact CD2-CG 4.14Å; I304-R308 PolarHBondContact O-N 3.47Å; R308-A310 VanDerWaalsContact C-N 3.3Å; R308-A310 PolarHBondContact O-N 3.25Å; R308-L311 PolarHBondContact O-N 3.25Å; R308-L311 VanDerWaalsContact O-N 3.17Å; R308-V312 HydrophobicContact CG-CG2 4.26Å; R308-V312 VanDerWaalsContact O-CG2 3.32Å; R308-V312 WeakPolarHBondContact O-CG2 3.33Å; R308-V312 PolarHBondContact O-N 3.45Å
309	D	92.6	Very high	92.2	Very high	130 Å²	130	57.9 Å²	57.9	70%	0.695	30%	0.303	S	S	*	.	H	α-helix	trans	-62.8	-39.2	-173.8	-61.6	-13.6	0	0	0	112.1	W307 K313	W307-D309 PolarHBondContact O-N 2.77Å; D309-K313 VanDerWaalsContact O-CB 3.25Å; D309-K313 WeakPolarHBondContact O-CB 3.26Å; D309-K313 PolarHBondContact O-N 3.34Å
310	A	94.5	Very high	92.3	Very high	31 Å²	31	58.3 Å²	58.3	26%	0.256	30%	0.304	S	S	.	.	H	α-helix	trans	-64.7	-46	176.8	0	0	0	0	0	111.2	F291 W307 R308 K313 M314	F291-A310 HydrophobicContact CD1-CB 4.09Å; F291-A310 HydrophobicContact CE1-CB 4.17Å; W307-A310 PolarHBondContact O-N 3.14Å; R308-A310 VanDerWaalsContact C-N 3.3Å; R308-A310 PolarHBondContact O-N 3.25Å; A310-K313 PolarHBondContact O-N 3.07Å; A310-M314 HydrophobicContact CB-CE 3.75Å; A310-M314 WeakPolarHBondContact O-CB 3.36Å; A310-M314 VanDerWaalsContact O-CE 3.26Å; A310-M314 WeakPolarHBondContact O-CE 3.28Å; A310-M314 VanDerWaalsContact O-CG 3.28Å; A310-M314 WeakPolarHBondContact O-CG 3.31Å; A310-M314 PolarHBondContact O-N 2.73Å
311	L	95.9	Very high	92.9	Very high	2 Å²	2	58.4 Å²	58.4	1%	0.01	30%	0.303	C	S	.	.	H	α-helix	trans	-66.4	-44	179.9	-72	171.1	0	0	0	112.2	F204 I224 F291 W307 R308 K313 M314 G315 T317	F204-L311 HydrophobicContact CE2-CB 3.95Å; F204-L311 HydrophobicContact CE2-CD1 3.71Å; F204-L311 HydrophobicContact CE2-CG 4.49Å; F204-L311 HydrophobicContact CZ-CD1 3.69Å; I224-L311 HydrophobicContact CB-CD1 4.03Å; I224-L311 HydrophobicContact CB-CD2 4.05Å; I224-L311 HydrophobicContact CD1-CD1 4.05Å; I224-L311 HydrophobicContact CD1-CD2 4.08Å; I224-L311 HydrophobicContact CG1-CD2 4.34Å; I224-L311 HydrophobicContact CG2-CD1 4.13Å; F291-L311 HydrophobicContact CE1-CD2 3.62Å; F291-L311 HydrophobicContact CE1-CG 3.85Å; F291-L311 HydrophobicContact CZ-CD2 3.53Å; F291-L311 HydrophobicContact CZ-CG 4.25Å; W307-L311 HydrophobicContact CB-CD1 3.69Å; W307-L311 HydrophobicContact CB-CG 4.24Å; W307-L311 WeakPolarHBondContact O-CB 3.43Å; W307-L311 WeakPolarHBondContact O-CG 3.31Å; W307-L311 PolarHBondContact O-N 2.93Å; R308-L311 PolarHBondContact O-N 3.25Å; R308-L311 VanDerWaalsContact O-N 3.17Å; L311-K313 VanDerWaalsContact C-N 3.34Å; L311-K313 PolarHBondContact O-N 2.8Å; L311-M314 PolarHBondContact O-N 3.38Å; L311-G315 PolarHBondContact O-N 2.98Å; L311-G315 VanDerWaalsContact O-N 3.14Å; L311-T317 HydrophobicContact CD2-CG2 4.14Å; L311-T317 WeakPolarHBondContact CD2-OG1 3.41Å
312	V	95.9	Very high	93.4	Very high	61 Å²	61	57.3 Å²	57.3	37%	0.37	30%	0.296	S	S	.	.	H	α-helix	trans	-60.8	-44.8	176	172.7	0	0	0	0	110.4	F204 R308 M314 G315	F204-V312 HydrophobicContact CD2-CG2 4.28Å; R308-V312 HydrophobicContact CG-CG2 4.26Å; R308-V312 VanDerWaalsContact O-CG2 3.32Å; R308-V312 WeakPolarHBondContact O-CG2 3.33Å; R308-V312 PolarHBondContact O-N 3.45Å; V312-M314 VanDerWaalsContact C-N 3.29Å; V312-M314 PolarHBondContact O-N 3.12Å; V312-G315 PolarHBondContact O-N 3.37Å
313	K	94.9	Very high	94.2	Very high	192 Å²	192	54.6 Å²	54.6	84%	0.835	29%	0.285	S	S	*	.	H	α-helix	trans	-63	-34.3	176.4	-176	178.9	179.7	-179.5	0	113.1	D309 A310 L311 G315	D309-K313 VanDerWaalsContact O-CB 3.25Å; D309-K313 WeakPolarHBondContact O-CB 3.26Å; D309-K313 PolarHBondContact O-N 3.34Å; A310-K313 PolarHBondContact O-N 3.07Å; L311-K313 VanDerWaalsContact C-N 3.34Å; L311-K313 PolarHBondContact O-N 2.8Å; K313-G315 PolarHBondContact O-N 2.97Å
314	M	94.4	Very high	94.8	Very high	81 Å²	81	50.3 Å²	50.3	40%	0.399	26%	0.263	S	S	.	.	H	α-helix	trans	-74.2	-13.5	176	-73.6	-177.4	-112.4	0	0	112.8	A290 F291 A310 L311 V312 Q316	A290-M314 HydrophobicContact CB-CE 4.31Å; F291-M314 HydrophobicContact CD1-CE 4.17Å; F291-M314 HydrophobicContact CE1-CE 3.47Å; F291-M314 VanDerWaalsContact CE1-CE 3.47Å; F291-M314 HydrophobicContact CZ-CE 3.9Å; A310-M314 HydrophobicContact CB-CE 3.75Å; A310-M314 WeakPolarHBondContact O-CB 3.36Å; A310-M314 VanDerWaalsContact O-CE 3.26Å; A310-M314 WeakPolarHBondContact O-CE 3.28Å; A310-M314 VanDerWaalsContact O-CG 3.28Å; A310-M314 WeakPolarHBondContact O-CG 3.31Å; A310-M314 PolarHBondContact O-N 2.73Å; L311-M314 PolarHBondContact O-N 3.38Å; V312-M314 VanDerWaalsContact C-N 3.29Å; V312-M314 PolarHBondContact O-N 3.12Å; M314-Q316 VanDerWaalsContact C-N 3.25Å; M314-Q316 PolarHBondContact O-N 2.92Å
315	G	95	Very high	95.1	Very high	34 Å²	34	52 Å²	52	35%	0.351	28%	0.278	S	S	.	.	S	Bend	trans	77.3	-69.5	-177.7	0	0	0	0	0	111.7	H223 L311 V312 K313	H223-G315 WeakPolarHBondContact CA-O 3.05Å; L311-G315 PolarHBondContact O-N 2.98Å; L311-G315 VanDerWaalsContact O-N 3.14Å; V312-G315 PolarHBondContact O-N 3.37Å; K313-G315 PolarHBondContact O-N 2.97Å
316	Q	96	Very high	95.3	Very high	98 Å²	98	51 Å²	51	46%	0.458	28%	0.275	S	S	.	.			trans	-140.1	129.8	179.4	-58.2	-168.2	-83.3	0	0	111.4	P199 A220 G222 M314	P199-Q316 HydrophobicContact CG-CG 4.08Å; A220-Q316 PolarHBondContact O-NE2 3.08Å; G222-Q316 WeakPolarHBondContact O-CG 3.34Å; M314-Q316 VanDerWaalsContact C-N 3.25Å; M314-Q316 PolarHBondContact O-N 2.92Å
317	T	97.1	Very high	95.3	Very high	14 Å²	14	51.5 Å²	51.5	9%	0.086	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	122.7	-178.3	-56.3	0	0	0	0	111.7	H223 I224 D225 P273 F291 L311 V319	H223-T317 PolarHBondContact O-N 3.11Å; I224-T317 CarbonylContact C-O 3.57Å; I224-T317 WeakPolarHBondContact CA-O 3.41Å; D225-T317 PolarHBondContact N-O 2.64Å; P273-T317 HydrophobicContact CB-CG2 4.48Å; F291-T317 HydrophobicContact CZ-CG2 4.34Å; L311-T317 HydrophobicContact CD2-CG2 4.14Å; L311-T317 WeakPolarHBondContact CD2-OG1 3.41Å; T317-V319 HydrophobicContact CG2-CG1 4.02Å
318	K	97.8	Very high	95.2	Very high	88 Å²	88	54 Å²	54	38%	0.383	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	126.8	173.7	-59.2	-173.1	179.3	174.7	0	110.8	A220 Y227 P273 C274 F320	A220-K318 HydrophobicContact CB-CG 4.48Å; Y227-K318 HydrophobicContact CD2-CB 4.27Å; Y227-K318 HydrophobicContact CE2-CB 3.69Å; Y227-K318 HydrophobicContact CE2-CD 4.03Å; Y227-K318 HydrophobicContact CE2-CG 3.7Å; P273-K318 WeakPolarHBondContact CA-O 3.48Å; C274-K318 PolarHBondContact N-O 3.18Å; C274-K318 VanDerWaalsContact N-O 3.15Å; K318-F320 HydrophobicContact CB-CE2 4.12Å; K318-F320 HydrophobicContact CB-CZ 4.43Å
319	V	97.9	Very high	95.3	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	142.3	176.4	-56.2	0	0	0	0	111.5	I224 D225 F226 Y227 Y272 P273 T317	I224-V319 HydrophobicContact CD1-CG1 3.9Å; I224-V319 HydrophobicContact CD1-CG2 3.97Å; I224-V319 HydrophobicContact CG1-CG1 4.11Å; I224-V319 HydrophobicContact CG1-CG2 3.97Å; D225-V319 PolarHBondContact O-N 2.75Å; F226-V319 HydrophobicContact CB-CG2 4.22Å; F226-V319 HydrophobicContact CD1-CG2 3.25Å; F226-V319 HydrophobicContact CD2-CG2 4.27Å; F226-V319 HydrophobicContact CE1-CG2 3.56Å; F226-V319 HydrophobicContact CG-CG2 3.65Å; F226-V319 HydrophobicContact CZ-CG2 4.2Å; Y227-V319 PolarHBondContact N-O 3.07Å; Y272-V319 CarbonylContact O-C 3.59Å; Y272-V319 VanDerWaalsContact O-CA 3.28Å; Y272-V319 WeakPolarHBondContact O-CA 3.34Å; P273-V319 HydrophobicContact CB-CG1 4.45Å; P273-V319 HydrophobicContact CG-CG1 4.1Å; T317-V319 HydrophobicContact CG2-CG1 4.02Å
320	F	98	Very high	95.3	Very high	11 Å²	11	48 Å²	48	5%	0.048	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	146.5	-175.9	-61.2	-89.4	0	0	0	111.1	Y227 Y272 C274 Y277 F280 K318	Y227-F320 VanDerWaalsContact CB-CD1 3.48Å; Y227-F320 HydrophobicContact CD2-CD1 4.29Å; Y227-F320 AromaticContact CD2-CE1 3.8Å; Y227-F320 HydrophobicContact CD2-CE1 3.8Å; Y227-F320 AromaticContact CD2-CZ 3.93Å; Y227-F320 HydrophobicContact CD2-CZ 3.93Å; Y227-F320 HydrophobicContact CE2-CZ 4.49Å; Y227-F320 HydrophobicContact CG-CD1 4.16Å; Y227-F320 AromaticContact CG-CE1 3.72Å; Y227-F320 HydrophobicContact CG-CE1 3.72Å; Y227-F320 HydrophobicContact CG-CZ 4.28Å; Y272-F320 PolarHBondContact N-O 3.5Å; Y272-F320 PolarHBondContact O-N 3.29Å; C274-F320 HydrophobicContact CB-CD2 3.65Å; C274-F320 HydrophobicContact CB-CE2 3.96Å; C274-F320 WeakPolarHBondContact O-CE2 3.45Å; Y277-F320 HydrophobicContact CD2-CB 4.11Å; Y277-F320 AromaticContact CD2-CD1 3.59Å; Y277-F320 HydrophobicContact CD2-CD1 3.59Å; Y277-F320 HydrophobicContact CD2-CE1 4.41Å; Y277-F320 HydrophobicContact CD2-CG 4.11Å; Y277-F320 HydrophobicContact CG-CD1 4.08Å; Y277-F320 HydrophobicContact CG-CE1 4.48Å; F280-F320 HydrophobicContact CB-CB 4.03Å; F280-F320 HydrophobicContact CB-CG 4.37Å; F280-F320 HydrophobicContact CD1-CB 3.92Å; F280-F320 HydrophobicContact CD2-CB 4.13Å; F280-F320 HydrophobicContact CE1-CB 4.43Å; F280-F320 HydrophobicContact CG-CB 3.74Å; K318-F320 HydrophobicContact CB-CE2 4.12Å; K318-F320 HydrophobicContact CB-CZ 4.43Å
321	F	97.3	Very high	95.3	Very high	7 Å²	7	48.3 Å²	48.3	3%	0.031	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	164.4	167.9	64.6	-87.3	0	0	0	109.4	L208 F226 A228 N229 L258 L269 T270 L299 T323	L208-F321 HydrophobicContact CD1-CE1 4.41Å; L208-F321 HydrophobicContact CD1-CZ 4.18Å; F226-F321 HydrophobicContact CB-CE1 4.07Å; F226-F321 HydrophobicContact CD1-CD1 4.29Å; F226-F321 AromaticContact CD1-CE1 3.94Å; F226-F321 HydrophobicContact CD1-CE1 3.94Å; F226-F321 HydrophobicContact CG-CE1 4.46Å; A228-F321 HydrophobicContact CB-CE1 4.23Å; A228-F321 HydrophobicContact CB-CE2 3.73Å; A228-F321 HydrophobicContact CB-CZ 3.57Å; N229-F321 PolarHBondContact N-O 3.34Å; L258-F321 HydrophobicContact CD1-CE2 4.34Å; L258-F321 HydrophobicContact CD1-CZ 4.36Å; L269-F321 HydrophobicContact CB-CD2 4.27Å; L269-F321 HydrophobicContact CB-CE2 3.96Å; L269-F321 HydrophobicContact CB-CZ 4.2Å; L269-F321 HydrophobicContact CD1-CE2 4.12Å; L269-F321 HydrophobicContact CD1-CZ 4.39Å; L269-F321 HydrophobicContact CD2-CD2 4.17Å; L269-F321 HydrophobicContact CD2-CE2 3.94Å; L269-F321 HydrophobicContact CG-CE2 4.22Å; T270-F321 VanDerWaalsContact O-CB 3.3Å; T270-F321 WeakPolarHBondContact O-CB 2.87Å; L299-F321 HydrophobicContact CD2-CE1 4.48Å; L299-F321 HydrophobicContact CD2-CZ 3.95Å; F321-T323 HydrophobicContact CD2-CG2 3.74Å; F321-T323 HydrophobicContact CE2-CG2 3.46Å; F321-T323 VanDerWaalsContact CE2-CG2 3.46Å
322	S	96.8	Very high	95.1	Very high	11 Å²	11	48.5 Å²	48.5	8%	0.077	26%	0.264	C	S	.	.			trans	-118.6	151.2	176.4	-48	0	0	0	0	109.9	N229 Y277 Q383	N229-S322 VanDerWaalsContact OD1-CA 3.31Å; N229-S322 WeakPolarHBondContact OD1-CA 3.48Å; Y277-S322 PolarHBondContact OH-OG 2.76Å; S322-Q383 VanDerWaalsContact CB-NE2 3.26Å; S322-Q383 PolarHBondContact OG-NE2 3.45Å; S322-Q383 PolarHBondContact OG-OE1 3.02Å
323	T	97.3	Very high	95.1	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	25%	0.248	C	C	.	.			trans	-125.1	164.5	-178.8	70.7	0	0	0	0	111.1	N229 P235 L258 L269 F321 Y329 K331	N229-T323 PolarHBondContact ND2-OG1 3.02Å; N229-T323 PolarHBondContact OD1-N 3.21Å; P235-T323 WeakPolarHBondContact CG-O 3.34Å; L258-T323 HydrophobicContact CD1-CG2 4.25Å; L258-T323 HydrophobicContact CD2-CG2 3.84Å; L269-T323 HydrophobicContact CD2-CG2 4.14Å; F321-T323 HydrophobicContact CD2-CG2 3.74Å; F321-T323 HydrophobicContact CE2-CG2 3.46Å; F321-T323 VanDerWaalsContact CE2-CG2 3.46Å; T323-Y329 VanDerWaalsContact CA-O 3.23Å; T323-Y329 WeakPolarHBondContact CA-O 3.38Å; T323-Y329 WeakPolarHBondContact CB-O 3.3Å; T323-K331 WeakPolarHBondContact O-CE 2.96Å
324	T	96.1	Very high	95.1	Very high	15 Å²	15	36.8 Å²	36.8	9%	0.092	21%	0.209	C	C	.	.			trans	-83.3	175.5	164	57	0	0	0	0	110.6	A326 Y329 Q330 K331 D385	T324-A326 PolarHBondContact OG1-O 3.01Å; T324-Y329 PolarHBondContact N-O 2.84Å; T324-Y329 WeakPolarHBondContact OG1-CA 3.15Å; T324-Y329 PolarHBondContact OG1-N 3.47Å; T324-Q330 WeakPolarHBondContact CG2-O 3.39Å; T324-K331 HydrophobicContact CG2-CG 3.82Å; T324-D385 HydrophobicContact CG2-CB 3.82Å
325	A	94.3	Very high	95.2	Very high	45 Å²	45	34.8 Å²	34.8	37%	0.372	20%	0.197	S	C	.	.	S	Bend	trans	-75.1	-24.4	-177.7	0	0	0	0	0	114.8	P235 R254	P235-A325 HydrophobicContact CB-CB 3.98Å; P235-A325 WeakPolarHBondContact O-CA 3.43Å; R254-A325 PolarHBondContact NH2-O 3.44Å
326	A	91.9	Very high	95.3	Very high	60 Å²	60	33.2 Å²	33.2	50%	0.496	18%	0.18	S	C	.	.	S	Bend	trans	-134.2	161.3	-173.3	0	0	0	0	0	110.8	T324 Y329	T324-A326 PolarHBondContact OG1-O 3.01Å; A326-Y329 VanDerWaalsContact C-CD1 3.4Å; A326-Y329 WeakPolarHBondContact O-CA 3.28Å; A326-Y329 WeakPolarHBondContact O-CD1 3.5Å; A326-Y329 PolarHBondContact O-N 2.91Å
327	L	90.3	Very high	95.3	Very high	109 Å²	109	29.5 Å²	29.5	57%	0.571	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.3	134.2	175.7	-167.4	73.5	0	0	0	109.8	C261 Y329	C261-L327 HydrophobicContact CB-CD1 3.92Å; C261-L327 VanDerWaalsContact SG-CD1 3.52Å; L327-Y329 HydrophobicContact CB-CE2 4.31Å; L327-Y329 HydrophobicContact CD1-CD2 3.92Å; L327-Y329 HydrophobicContact CD1-CE2 3.8Å
328	P	93.2	Very high	95.1	Very high	62 Å²	62	28.9 Å²	28.9	40%	0.403	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	cis	-87.5	17.3	13.1	35.8	-36.6	0	0	0	116.1	C267 Q330	C267-P328 HydrophobicContact CB-CB 4.42Å; C267-P328 WeakPolarHBondContact CB-O 3.37Å; P328-Q330 HydrophobicContact CG-CB 4.39Å; P328-Q330 PolarHBondContact O-N 3.01Å
329	Y	95.1	Very high	95	Very high	24 Å²	24	25.8 Å²	25.8	9%	0.094	15%	0.148	C	C	.	.			trans	57.6	17.3	178.4	-54.5	-56.2	0	0	0	114.6	R254 F257 L258 C261 T323 T324 A326 L327	R254-Y329 PolarHBondContact NH1-OH 2.84Å; F257-Y329 HydrophobicContact CB-CE2 4.15Å; L258-Y329 HydrophobicContact CD2-CD1 4.31Å; L258-Y329 HydrophobicContact CD2-CD2 3.75Å; L258-Y329 HydrophobicContact CD2-CG 3.63Å; C261-Y329 HydrophobicContact CB-CD2 4.01Å; C261-Y329 HydrophobicContact CB-CE2 4.43Å; T323-Y329 VanDerWaalsContact CA-O 3.23Å; T323-Y329 WeakPolarHBondContact CA-O 3.38Å; T323-Y329 WeakPolarHBondContact CB-O 3.3Å; T324-Y329 PolarHBondContact N-O 2.84Å; T324-Y329 WeakPolarHBondContact OG1-CA 3.15Å; T324-Y329 PolarHBondContact OG1-N 3.47Å; A326-Y329 VanDerWaalsContact C-CD1 3.4Å; A326-Y329 WeakPolarHBondContact O-CA 3.28Å; A326-Y329 WeakPolarHBondContact O-CD1 3.5Å; A326-Y329 PolarHBondContact O-N 2.91Å; L327-Y329 HydrophobicContact CB-CE2 4.31Å; L327-Y329 HydrophobicContact CD1-CD2 3.92Å; L327-Y329 HydrophobicContact CD1-CE2 3.8Å
330	Q	92.3	Very high	94.8	Very high	62 Å²	62	25.8 Å²	25.8	29%	0.29	15%	0.148	S	C	.	.			trans	-104.4	126.4	-173.1	-172.2	171.1	6.2	0	0	110.2	T324 P328	T324-Q330 WeakPolarHBondContact CG2-O 3.39Å; P328-Q330 HydrophobicContact CG-CB 4.39Å; P328-Q330 PolarHBondContact O-N 3.01Å
331	K	93.3	Very high	94.5	Very high	38 Å²	38	29.2 Å²	29.2	17%	0.165	16%	0.161	C	C	.	.			trans	-92.7	146.2	165.9	-79.7	174	169.6	-77.5	0	110	T323 T324 Q383 F384 D385	T323-K331 WeakPolarHBondContact O-CE 2.96Å; T324-K331 HydrophobicContact CG2-CG 3.82Å; K331-Q383 HydrophobicContact CB-CB 4.48Å; K331-Q383 HydrophobicContact CD-CB 4Å; K331-F384 CarbonylContact C-O 3.53Å; K331-F384 VanDerWaalsContact CA-O 3.28Å; K331-F384 WeakPolarHBondContact CA-O 3.21Å; K331-D385 WeakPolarHBondContact CE-OD1 3.26Å; K331-D385 IonicContact NZ-OD1 3.41Å; K331-D385 PolarHBondContact NZ-OD1 3.14Å
332	L	93.2	Very high	93.9	Very high	6 Å²	6	29.3 Å²	29.3	3%	0.031	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	123.4	164.4	174	70.2	0	0	0	107.8	Y334 L354 F384 R422 R425	L332-Y334 HydrophobicContact CD1-CE2 4.29Å; L332-Y334 HydrophobicContact CD2-CE2 3.74Å; L332-Y334 HydrophobicContact CG-CD2 4.44Å; L332-Y334 HydrophobicContact CG-CE2 3.85Å; L332-L354 HydrophobicContact CD2-CD1 4.35Å; L332-F384 HydrophobicContact CB-CB 4.33Å; L332-F384 PolarHBondContact N-O 3.19Å; L332-F384 WeakPolarHBondContact O-CD2 3.21Å; L332-F384 PolarHBondContact O-N 3.04Å; L332-R422 HydrophobicContact CD1-CG 4.1Å; L332-R425 VanDerWaalsContact CD2-NH1 3.34Å
333	S	95.3	Very high	93.3	Very high	4 Å²	4	35.8 Å²	35.8	3%	0.028	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	141.8	-175.8	-45.8	0	0	0	0	112.2	A382 L420 E421	S333-A382 CarbonylContact C-O 3.54Å; S333-A382 VanDerWaalsContact CA-O 3.29Å; S333-A382 WeakPolarHBondContact CA-O 3.28Å; S333-L420 PolarHBondContact O-N 3.46Å; S333-E421 WeakPolarHBondContact CA-OE2 3.43Å; S333-E421 WeakPolarHBondContact CB-OE1 3.31Å; S333-E421 WeakPolarHBondContact CB-OE2 3.42Å; S333-E421 PolarHBondContact N-OE2 2.97Å; S333-E421 PolarHBondContact OG-OE1 3.49Å
334	Y	95.6	Very high	92.8	Very high	3 Å²	3	42.7 Å²	42.7	1%	0.012	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	134	169.6	-72.1	-96.7	0	0	0	110	L332 V336 L354 A382 F384 F417 T418 P419 M428	L332-Y334 HydrophobicContact CD1-CE2 4.29Å; L332-Y334 HydrophobicContact CD2-CE2 3.74Å; L332-Y334 HydrophobicContact CG-CD2 4.44Å; L332-Y334 HydrophobicContact CG-CE2 3.85Å; Y334-V336 PolarHBondContact O-N 2.84Å; Y334-L354 HydrophobicContact CD2-CD1 4.3Å; Y334-L354 HydrophobicContact CE2-CD1 3.69Å; Y334-A382 PolarHBondContact N-O 3.42Å; Y334-A382 PolarHBondContact O-N 3.31Å; Y334-F384 HydrophobicContact CD2-CD2 4.06Å; Y334-F384 AromaticContact CD2-CE2 3.75Å; Y334-F384 HydrophobicContact CD2-CE2 3.75Å; Y334-F384 HydrophobicContact CE2-CD2 4.48Å; Y334-F384 HydrophobicContact CE2-CE2 4.37Å; Y334-F417 HydrophobicContact CD1-CB 3.94Å; Y334-T418 CarbonylContact C-O 3.6Å; Y334-T418 WeakPolarHBondContact CA-O 3.36Å; Y334-P419 HydrophobicContact CD1-CB 4.1Å; Y334-P419 HydrophobicContact CE1-CB 3.72Å; Y334-P419 HydrophobicContact CE1-CG 4.4Å; Y334-M428 HydrophobicContact CD1-CE 4.35Å; Y334-M428 HydrophobicContact CE1-CE 3.63Å
335	R	96.2	Very high	92.4	Very high	40 Å²	40	45.9 Å²	45.9	15%	0.151	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	118.7	157.9	-176.4	-177.8	89	-159.6	0.4	108.1	L286 D337 R379 T418 L420	L286-R335 HydrophobicContact CD1-CB 3.76Å; L286-R335 HydrophobicContact CD1-CG 3.76Å; R335-D337 IonicContact CZ-OD2 3.68Å; R335-D337 IonicContact NE-OD1 3.48Å; R335-D337 IonicContact NE-OD2 3.72Å; R335-D337 PolarHBondContact NE-OD2 2.91Å; R335-D337 IonicContact NH2-OD2 3.58Å; R335-D337 PolarHBondContact NH2-OD2 3.36Å; R335-R379 HydrophobicContact CG-CG 3.93Å; R335-T418 PolarHBondContact N-O 3.22Å; R335-T418 PolarHBondContact O-N 2.82Å; R335-L420 HydrophobicContact CB-CD2 4.11Å
336	V	96.3	Very high	92.2	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	110.5	178.6	-174.6	0	0	0	0	108.8	Y334 I352 R379 L380 A382 I415 R416 F417	Y334-V336 PolarHBondContact O-N 2.84Å; V336-I352 HydrophobicContact CG1-CD1 4.37Å; V336-I352 HydrophobicContact CG2-CD1 4.13Å; V336-R379 CarbonylContact O-C 3.32Å; V336-R379 WeakPolarHBondContact O-CA 3.5Å; V336-L380 HydrophobicContact CB-CB 4.24Å; V336-L380 PolarHBondContact N-O 2.91Å; V336-L380 PolarHBondContact O-N 2.83Å; V336-A382 HydrophobicContact CG2-CB 3.71Å; V336-I415 HydrophobicContact CG1-CD1 3.75Å; V336-I415 HydrophobicContact CG1-CG1 3.68Å; V336-R416 CarbonylContact C-O 3.39Å; V336-R416 VanDerWaalsContact CA-O 3.27Å; V336-R416 WeakPolarHBondContact CA-O 3.49Å; V336-F417 HydrophobicContact CG1-CD1 4.27Å; V336-F417 HydrophobicContact CG1-CE1 4.02Å; V336-F417 HydrophobicContact CG1-CZ 4.31Å; V336-F417 HydrophobicContact CG2-CD1 3.57Å; V336-F417 HydrophobicContact CG2-CE1 3.78Å; V336-F417 HydrophobicContact CG2-CG 4.46Å
337	D	95.4	Very high	92.2	Very high	21 Å²	21	49.2 Å²	49.2	11%	0.112	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	112.8	174.4	-59.2	-72.8	0	0	0	108.1	R335 R379 I415 R416	R335-D337 IonicContact CZ-OD2 3.68Å; R335-D337 IonicContact NE-OD1 3.48Å; R335-D337 IonicContact NE-OD2 3.72Å; R335-D337 PolarHBondContact NE-OD2 2.91Å; R335-D337 IonicContact NH2-OD2 3.58Å; R335-D337 PolarHBondContact NH2-OD2 3.36Å; D337-R379 IonicContact OD1-CZ 3.62Å; D337-R379 IonicContact OD1-NE 2.88Å; D337-R379 PolarHBondContact OD1-NE 2.92Å; D337-R379 IonicContact OD1-NH2 3.44Å; D337-R379 PolarHBondContact OD1-NH2 2.91Å; D337-I415 CarbonylContact O-C 3.49Å; D337-I415 WeakPolarHBondContact O-CA 3.35Å; D337-R416 HydrophobicContact CB-CB 4.43Å; D337-R416 PolarHBondContact N-O 2.92Å; D337-R416 PolarHBondContact O-N 2.88Å
338	M	94.5	Very high	92.3	Very high	0 Å²	0	44 Å²	44	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	143.4	-179.7	70.1	174.2	-176.2	0	0	112.2	V350 Q370 L372 S377 T378 L380 M396 L412 R414 I415	M338-V350 HydrophobicContact CE-CG2 4.38Å; M338-Q370 HydrophobicContact CE-CB 4.34Å; M338-L372 HydrophobicContact CE-CD2 3.75Å; M338-S377 CarbonylContact O-C 3.42Å; M338-S377 WeakPolarHBondContact O-CA 3.25Å; M338-T378 HydrophobicContact CE-CG2 3.84Å; M338-T378 PolarHBondContact N-O 3.31Å; M338-T378 PolarHBondContact O-N 2.84Å; M338-L380 HydrophobicContact CE-CD1 3.94Å; M338-L380 HydrophobicContact CE-CD2 4.47Å; M338-L380 HydrophobicContact CE-CG 4.48Å; M338-L380 HydrophobicContact SD-CD1 3.96Å; M338-M396 HydrophobicContact SD-CE 4.24Å; M338-L412 HydrophobicContact SD-CD2 4.42Å; M338-R414 CarbonylContact C-O 3.56Å; M338-R414 WeakPolarHBondContact CA-O 3.48Å; M338-I415 HydrophobicContact CB-CD1 4.48Å; M338-I415 HydrophobicContact CB-CG1 4.2Å
339	V	95.3	Very high	92.4	Very high	24 Å²	24	42.1 Å²	42.1	15%	0.145	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	116.7	174.8	-175.5	0	0	0	0	108.8	T376 L412 L413 R414	V339-T376 WeakPolarHBondContact CA-O 3.36Å; V339-L412 CarbonylContact O-C 3.51Å; V339-L412 WeakPolarHBondContact O-CA 3.24Å; V339-L413 HydrophobicContact CB-CB 4.35Å; V339-L413 HydrophobicContact CG1-CB 4.26Å; V339-L413 HydrophobicContact CG1-CD1 4.08Å; V339-L413 PolarHBondContact O-N 2.83Å; V339-R414 HydrophobicContact CB-CB 4.47Å; V339-R414 HydrophobicContact CG2-CB 4.44Å; V339-R414 PolarHBondContact N-O 3.44Å
340	T	93.1	Very high	92.4	Very high	0 Å²	0	41 Å²	41	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	150.7	-179	55.4	0	0	0	0	111.3	L372 E373 Y375 T376 R411 L412	T340-L372 HydrophobicContact CG2-CB 4.44Å; T340-L372 HydrophobicContact CG2-CD2 3.71Å; T340-E373 CarbonylContact C-O 3.31Å; T340-E373 PolarHBondContact OG1-O 2.95Å; T340-E373 VanDerWaalsContact OG1-O 3.13Å; T340-Y375 VanDerWaalsContact O-CA 3.23Å; T340-Y375 WeakPolarHBondContact O-CA 3.5Å; T340-Y375 PolarHBondContact O-N 2.95Å; T340-T376 PolarHBondContact N-O 2.92Å; T340-T376 PolarHBondContact O-N 3.15Å; T340-T376 WeakPolarHBondContact OG1-CB 3.37Å; T340-T376 PolarHBondContact OG1-O 3.46Å; T340-R411 WeakPolarHBondContact CA-O 3.3Å; T340-L412 HydrophobicContact CG2-CD2 3.43Å; T340-L412 VanDerWaalsContact CG2-CD2 3.43Å
341	W	91.2	Very high	92.7	Very high	83 Å²	83	39.3 Å²	39.3	31%	0.314	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	79.1	172.6	-170.2	89.2	0	0	0	109.6	Q374 Y375 R411 L413	W341-Q374 HydrophobicContact CG-CG 4.18Å; W341-Q374 VanDerWaalsContact NE1-NE2 3.15Å; W341-Y375 AromaticContact CD1-CD1 3.77Å; W341-Y375 AromaticContact CD1-CE1 3.38Å; W341-Y375 AromaticContact CD1-CE2 3.81Å; W341-Y375 AromaticContact CD1-CZ 3.4Å; W341-Y375 AromaticContact NE1-CE1 3.68Å; W341-Y375 AromaticContact NE1-CE2 3.58Å; W341-Y375 AromaticContact NE1-CZ 3.19Å; W341-Y375 PolarHBondContact NE1-OH 2.56Å; W341-Y375 VanDerWaalsContact NE1-OH 3.14Å; W341-R411 PolarHBondContact N-O 2.81Å; W341-L413 HydrophobicContact CB-CD1 3.9Å; W341-L413 HydrophobicContact CB-CD2 3.82Å; W341-L413 HydrophobicContact CB-CG 3.72Å; W341-L413 HydrophobicContact CG-CD1 4.37Å; W341-L413 HydrophobicContact CG-CD2 4.34Å
342	N	85.7	Confident	92.9	Very high	9 Å²	9	37.5 Å²	37.5	5%	0.048	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	127.9	177.7	-56.8	-44.9	0	0	0	109.8	Y344 L372 E373 Q374 I410 R411	N342-Y344 PolarHBondContact O-N 2.79Å; N342-L372 WeakPolarHBondContact ND2-CB 3.32Å; N342-E373 PolarHBondContact N-O 2.96Å; N342-E373 VanDerWaalsContact N-O 3.12Å; N342-E373 CarbonylContact O-C 3.54Å; N342-E373 VanDerWaalsContact O-C 3.31Å; N342-Q374 PolarHBondContact O-N 2.97Å; N342-I410 VanDerWaalsContact OD1-CA 3.29Å; N342-I410 WeakPolarHBondContact OD1-CA 3.29Å; N342-R411 PolarHBondContact OD1-N 2.87Å
343	Q	84.6	Confident	93.1	Very high	147 Å²	147	39.9 Å²	39.9	69%	0.687	17%	0.172	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-59.7	-33.6	179.9	-176.5	178.4	-0.4	0	0	112.5
344	Y	85.5	Confident	93.1	Very high	144 Å²	144	39.7 Å²	39.7	57%	0.565	17%	0.171	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-114.7	140.5	177.8	-59.3	-77	0	0	0	110.1	N342 R346	N342-Y344 PolarHBondContact O-N 2.79Å; Y344-R346 PolarHBondContact O-N 2.81Å
345	L	88.9	Confident	93.1	Very high	83 Å²	83	40.6 Å²	40.6	44%	0.435	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.2	127.7	174.8	171.3	61.1	0	0	0	110.5	W347 R371 E373	L345-W347 HydrophobicContact CD1-CZ2 4.47Å; L345-R371 HydrophobicContact CD1-CG 3.5Å; L345-R371 VanDerWaalsContact CD1-CG 3.5Å; L345-E373 HydrophobicContact CD1-CB 4.17Å
346	R	88.8	Confident	93	Very high	60 Å²	60	40.2 Å²	40.2	23%	0.226	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	155.8	172.2	-59.9	-65.7	178.7	-178	-2.7	110.6	Y344 L372 Y408	Y344-R346 PolarHBondContact O-N 2.81Å; R346-L372 HydrophobicContact CB-CB 4.23Å; R346-L372 HydrophobicContact CB-CD1 4.41Å; R346-L372 PolarHBondContact N-O 2.85Å; R346-L372 PolarHBondContact O-N 2.88Å; R346-Y408 VanDerWaalsContact NH2-CD1 3.3Å; R346-Y408 VanDerWaalsContact NH2-CE1 3.32Å; R346-Y408 VanDerWaalsContact NH2-CZ 3.27Å
347	W	91.5	Very high	92.7	Very high	114 Å²	114	42.8 Å²	42.8	43%	0.432	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	138.3	173.2	-64.6	91.6	0	0	0	108.5	L345 L369 Q370 R371 T400	L345-W347 HydrophobicContact CD1-CZ2 4.47Å; W347-L369 HydrophobicContact CB-CB 4.25Å; W347-L369 HydrophobicContact CB-CD1 4.28Å; W347-L369 HydrophobicContact CE3-CB 4Å; W347-Q370 VanDerWaalsContact CA-O 3.29Å; W347-Q370 WeakPolarHBondContact CA-O 3.35Å; W347-R371 HydrophobicContact CE3-CB 4.04Å; W347-R371 HydrophobicContact CH2-CB 3.75Å; W347-R371 HydrophobicContact CH2-CG 3.85Å; W347-R371 HydrophobicContact CZ2-CB 4.3Å; W347-R371 HydrophobicContact CZ2-CG 3.95Å; W347-R371 HydrophobicContact CZ3-CB 3.61Å; W347-R371 HydrophobicContact CZ3-CG 4.18Å; W347-T400 WeakPolarHBondContact O-CA 3.39Å
348	G	92.9	Very high	92.5	Very high	1 Å²	1	53.4 Å²	53.4	1%	0.01	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.7	161.4	178.5	0	0	0	0	0	115	Q370 N399	G348-Q370 PolarHBondContact N-O 2.02Å; G348-Q370 VanDerWaalsContact N-O 3.08Å; G348-Q370 WeakPolarHBondContact O-CB 3.44Å; G348-Q370 PolarHBondContact O-N 2.69Å; G348-N399 CarbonylContact C-O 3.59Å; G348-N399 WeakPolarHBondContact CA-O 3.32Å
349	V	95.4	Very high	92.5	Very high	21 Å²	21	58.5 Å²	58.5	13%	0.127	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	132	172.4	177.9	0	0	0	0	108.6	Y351 Q364 D366 L369 I398 N399	V349-Y351 HydrophobicContact CB-CE2 3.87Å; V349-Y351 HydrophobicContact CG1-CD2 4.14Å; V349-Y351 HydrophobicContact CG1-CE2 3.44Å; V349-Y351 VanDerWaalsContact CG1-CE2 3.44Å; V349-Q364 HydrophobicContact CG1-CG 4.41Å; V349-D366 HydrophobicContact CG1-CB 3.62Å; V349-D366 HydrophobicContact CG2-CB 4.31Å; V349-L369 HydrophobicContact CG2-CD2 3.71Å; V349-I398 WeakPolarHBondContact O-CA 3.44Å; V349-N399 PolarHBondContact N-O 3.24Å; V349-N399 PolarHBondContact O-N 3.32Å
350	V	96.1	Very high	92.5	Very high	0 Å²	0	62.4 Å²	62.4	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	126.9	-179.5	178.7	0	0	0	0	109.4	M338 I352 I365 Q370 L380 M396 I398	M338-V350 HydrophobicContact CE-CG2 4.38Å; V350-I352 HydrophobicContact CG1-CD1 4.07Å; V350-I352 HydrophobicContact CG1-CG1 3.97Å; V350-I365 HydrophobicContact CB-CB 4.39Å; V350-I365 HydrophobicContact CB-CD1 4.21Å; V350-I365 HydrophobicContact CG1-CD1 4.1Å; V350-I365 PolarHBondContact O-N 3.19Å; V350-Q370 HydrophobicContact CG2-CB 4.27Å; V350-Q370 HydrophobicContact CG2-CG 3.85Å; V350-L380 HydrophobicContact CB-CD1 4.33Å; V350-L380 HydrophobicContact CG1-CD1 4.18Å; V350-L380 HydrophobicContact CG2-CD1 4.19Å; V350-M396 HydrophobicContact CG1-CE 3.55Å; V350-M396 HydrophobicContact CG2-CE 4.47Å; V350-I398 HydrophobicContact CG2-CG1 4.35Å
351	Y	97.4	Very high	92.6	Very high	28 Å²	28	62.9 Å²	62.9	11%	0.11	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	131.9	171.3	-60.7	-102.3	0	0	0	108.3	V349 A363 Q364 M396 R397 N399	V349-Y351 HydrophobicContact CB-CE2 3.87Å; V349-Y351 HydrophobicContact CG1-CD2 4.14Å; V349-Y351 HydrophobicContact CG1-CE2 3.44Å; V349-Y351 VanDerWaalsContact CG1-CE2 3.44Å; Y351-A363 WeakPolarHBondContact CA-O 3.46Å; Y351-Q364 HydrophobicContact CD1-CB 4.19Å; Y351-Q364 HydrophobicContact CD1-CG 4.15Å; Y351-Q364 HydrophobicContact CE1-CB 4.15Å; Y351-Q364 HydrophobicContact CE1-CG 3.66Å; Y351-Q364 PolarHBondContact OH-NE2 2.89Å; Y351-M396 VanDerWaalsContact O-CA 3.3Å; Y351-M396 WeakPolarHBondContact O-CA 3.49Å; Y351-R397 PolarHBondContact N-O 3.39Å; Y351-R397 PolarHBondContact O-N 3.15Å; Y351-N399 HydrophobicContact CD2-CB 4.4Å; Y351-N399 HydrophobicContact CE2-CB 3.79Å
352	I	97.6	Very high	92.9	Very high	0 Å²	0	61.9 Å²	61.9	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	132.2	177.1	-63.6	161.6	0	0	0	107.6	V336 V350 L354 E362 A363 I365 A382 F384 I394 S395 M396 F417	V336-I352 HydrophobicContact CG1-CD1 4.37Å; V336-I352 HydrophobicContact CG2-CD1 4.13Å; V350-I352 HydrophobicContact CG1-CD1 4.07Å; V350-I352 HydrophobicContact CG1-CG1 3.97Å; I352-L354 HydrophobicContact CG2-CD2 4.46Å; I352-E362 CarbonylContact O-C 3.55Å; I352-E362 WeakPolarHBondContact O-CA 3.38Å; I352-A363 PolarHBondContact N-O 3.26Å; I352-A363 PolarHBondContact O-N 2.87Å; I352-I365 HydrophobicContact CD1-CD1 3.91Å; I352-A382 HydrophobicContact CD1-CB 4.05Å; I352-F384 HydrophobicContact CB-CZ 4.29Å; I352-F384 HydrophobicContact CG2-CE1 4.37Å; I352-F384 HydrophobicContact CG2-CZ 3.84Å; I352-F384 WeakPolarHBondContact O-CE1 3.29Å; I352-I394 HydrophobicContact CG2-CG2 3.99Å; I352-S395 CarbonylContact C-O 3.51Å; I352-S395 WeakPolarHBondContact CA-O 2.95Å; I352-M396 HydrophobicContact CG1-CG 4.31Å; I352-F417 HydrophobicContact CD1-CE1 4.09Å; I352-F417 HydrophobicContact CG2-CE1 3.9Å; I352-F417 HydrophobicContact CG2-CZ 4.45Å
353	R	97.3	Very high	93.4	Very high	55 Å²	55	61.5 Å²	61.5	21%	0.208	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	136	169.7	-54.5	179	176.3	155.8	-9	111.2	F360 T361 E362 I394 S395 E440	R353-F360 HydrophobicContact CB-CD2 4.5Å; R353-F360 HydrophobicContact CG-CD2 4.28Å; R353-T361 CarbonylContact C-O 3.58Å; R353-T361 WeakPolarHBondContact CA-O 3.48Å; R353-E362 HydrophobicContact CG-CB 3.94Å; R353-E362 HydrophobicContact CG-CG 3.87Å; R353-E362 IonicContact CZ-OE2 3.76Å; R353-E362 IonicContact NE-OE2 2.81Å; R353-E362 PolarHBondContact NE-OE2 2.88Å; R353-E362 IonicContact NH2-OE2 2.72Å; R353-E362 PolarHBondContact NH2-OE2 2.72Å; R353-I394 CarbonylContact O-C 3.59Å; R353-I394 VanDerWaalsContact O-CA 3.3Å; R353-I394 WeakPolarHBondContact O-CA 3.27Å; R353-S395 WeakPolarHBondContact CB-OG 3.3Å; R353-S395 PolarHBondContact N-O 3.15Å; R353-S395 PolarHBondContact O-N 2.91Å; R353-E440 WeakPolarHBondContact CD-OE1 3.28Å; R353-E440 IonicContact CZ-OE1 2.65Å; R353-E440 IonicContact NE-OE1 3.24Å; R353-E440 IonicContact NH1-OE1 2.91Å; R353-E440 PolarHBondContact NH1-OE1 3.22Å; R353-E440 IonicContact NH1-OE2 2.82Å; R353-E440 PolarHBondContact NH1-OE2 2.88Å
354	L	96.1	Very high	94	Very high	0 Å²	0	59 Å²	59	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	133.6	167.4	-52.5	179.9	0	0	0	107.8	L332 Y334 I352 F360 T361 F384 L388 V391 I394	L332-L354 HydrophobicContact CD2-CD1 4.35Å; Y334-L354 HydrophobicContact CD2-CD1 4.3Å; Y334-L354 HydrophobicContact CE2-CD1 3.69Å; I352-L354 HydrophobicContact CG2-CD2 4.46Å; L354-F360 CarbonylContact O-C 3.26Å; L354-F360 WeakPolarHBondContact O-CA 3.37Å; L354-F360 WeakPolarHBondContact O-CB 3.44Å; L354-T361 HydrophobicContact CB-CG2 4.09Å; L354-T361 PolarHBondContact N-O 3.22Å; L354-T361 PolarHBondContact O-N 2.91Å; L354-F384 HydrophobicContact CD1-CD1 4.29Å; L354-F384 HydrophobicContact CD1-CD2 3.92Å; L354-F384 HydrophobicContact CD1-CE1 4.07Å; L354-F384 HydrophobicContact CD1-CE2 3.73Å; L354-F384 HydrophobicContact CD1-CG 4.21Å; L354-F384 HydrophobicContact CD1-CZ 3.79Å; L354-F384 HydrophobicContact CD2-CZ 4.08Å; L354-F384 HydrophobicContact CG-CD1 4.27Å; L354-F384 HydrophobicContact CG-CE1 3.7Å; L354-F384 HydrophobicContact CG-CE2 4.09Å; L354-F384 HydrophobicContact CG-CZ 3.61Å; L354-L388 VanDerWaalsContact O-CD1 3.28Å; L354-L388 WeakPolarHBondContact O-CD1 3.08Å; L354-V391 HydrophobicContact CB-CG1 4.1Å; L354-V391 HydrophobicContact CB-CG2 4.18Å; L354-V391 HydrophobicContact CD1-CG2 4.24Å; L354-V391 HydrophobicContact CD2-CG1 4.1Å; L354-I394 HydrophobicContact CD2-CD1 4.05Å; L354-I394 HydrophobicContact CD2-CG1 3.86Å; L354-I394 HydrophobicContact CD2-CG2 4.41Å
355	H	95.8	Very high	94.5	Very high	23 Å²	23	52.3 Å²	52.3	11%	0.106	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	135	-179.2	-61.1	-113	0	0	0	110.5	N359 Q392 K393 S395	H355-N359 WeakPolarHBondContact CA-O 3.24Å; H355-Q392 PolarHBondContact O-N 3.2Å; H355-K393 HydrophobicContact CB-CB 4.06Å; H355-K393 WeakPolarHBondContact CB-O 3.42Å; H355-K393 PolarHBondContact CD2-O 2.77Å; H355-K393 PolarHBondContact N-O 2.89Å; H355-K393 VanDerWaalsContact ND1-CE 3.31Å; H355-K393 WeakPolarHBondContact ND1-CE 3.29Å; H355-K393 PolarHBondContact ND1-NZ 3.35Å; H355-S395 PolarHBondContact NE2-OG 2.97Å
356	S	93.5	Very high	94.7	Very high	32 Å²	32	52.6 Å²	52.6	22%	0.224	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	104	170.8	-173	0	0	0	0	108.7	R358 N359 Q389 N390	S356-R358 PolarHBondContact O-N 3.48Å; S356-N359 PolarHBondContact N-O 3.42Å; S356-N359 PolarHBondContact O-N 2.68Å; S356-N359 VanDerWaalsContact O-N 3.07Å; S356-Q389 WeakPolarHBondContact CB-O 3.04Å; S356-Q389 PolarHBondContact OG-O 2.89Å; S356-N390 PolarHBondContact OG-O 2.94Å
357	G	89.9	Confident	94.9	Very high	53 Å²	53	53 Å²	53	55%	0.546	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.9	-117.6	-170.2	0	0	0	0	0	112.3
358	R	90.6	Very high	94.9	Very high	245 Å²	245	52.9 Å²	52.9	93%	0.925	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.9	-12.5	177	-65	-175.6	-178.8	179.2	0.7	113.5	S356	S356-R358 PolarHBondContact O-N 3.48Å
359	N	94.6	Very high	94.9	Very high	107 Å²	107	57.3 Å²	57.3	57%	0.572	28%	0.279	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.6	145.9	-178.5	-62.7	-9.4	0	0	0	109.6	H355 S356 L388	H355-N359 WeakPolarHBondContact CA-O 3.24Å; S356-N359 PolarHBondContact N-O 3.42Å; S356-N359 PolarHBondContact O-N 2.68Å; S356-N359 VanDerWaalsContact O-N 3.07Å; N359-L388 HydrophobicContact CB-CD2 4.35Å
360	F	95.4	Very high	94.8	Very high	106 Å²	106	57 Å²	57	47%	0.465	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	153.7	172.4	73	-88.4	0	0	0	110.6	R353 L354	R353-F360 HydrophobicContact CB-CD2 4.5Å; R353-F360 HydrophobicContact CG-CD2 4.28Å; L354-F360 CarbonylContact O-C 3.26Å; L354-F360 WeakPolarHBondContact O-CA 3.37Å; L354-F360 WeakPolarHBondContact O-CB 3.44Å
361	T	95.8	Very high	94.6	Very high	9 Å²	9	62.5 Å²	62.5	6%	0.055	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	144.1	169.3	-172.8	0	0	0	0	108.4	R353 L354 F384 L388	R353-T361 CarbonylContact C-O 3.58Å; R353-T361 WeakPolarHBondContact CA-O 3.48Å; L354-T361 HydrophobicContact CB-CG2 4.09Å; L354-T361 PolarHBondContact N-O 3.22Å; L354-T361 PolarHBondContact O-N 2.91Å; T361-F384 HydrophobicContact CG2-CB 3.89Å; T361-F384 HydrophobicContact CG2-CD1 3.6Å; T361-F384 HydrophobicContact CG2-CE1 4.43Å; T361-F384 HydrophobicContact CG2-CG 3.99Å; T361-L388 HydrophobicContact CG2-CD1 3.74Å; T361-L388 HydrophobicContact CG2-CG 3.8Å
362	E	97	Very high	94.3	Very high	63 Å²	63	61.2 Å²	61.2	29%	0.294	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	136.8	-174.2	-173.6	171.6	77.7	0	0	110.7	I352 R353	I352-E362 CarbonylContact O-C 3.55Å; I352-E362 WeakPolarHBondContact O-CA 3.38Å; R353-E362 HydrophobicContact CG-CB 3.94Å; R353-E362 HydrophobicContact CG-CG 3.87Å; R353-E362 IonicContact CZ-OE2 3.76Å; R353-E362 IonicContact NE-OE2 2.81Å; R353-E362 PolarHBondContact NE-OE2 2.88Å; R353-E362 IonicContact NH2-OE2 2.72Å; R353-E362 PolarHBondContact NH2-OE2 2.72Å
363	A	97.4	Very high	94	Very high	1 Å²	1	63.6 Å²	63.6	1%	0.008	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	123.9	165.5	0	0	0	0	0	108.4	Y351 I352 A382 Q383 F384	Y351-A363 WeakPolarHBondContact CA-O 3.46Å; I352-A363 PolarHBondContact N-O 3.26Å; I352-A363 PolarHBondContact O-N 2.87Å; A363-A382 HydrophobicContact CB-CB 4.02Å; A363-Q383 WeakPolarHBondContact CB-O 3.49Å; A363-F384 HydrophobicContact CB-CD1 3.71Å; A363-F384 HydrophobicContact CB-CD2 4.27Å; A363-F384 HydrophobicContact CB-CE1 3.41Å; A363-F384 VanDerWaalsContact CB-CE1 3.41Å; A363-F384 HydrophobicContact CB-CE2 3.97Å; A363-F384 HydrophobicContact CB-CG 4.15Å; A363-F384 HydrophobicContact CB-CZ 3.54Å; A363-F384 VanDerWaalsContact N-CE1 3.3Å
364	Q	96.1	Very high	93.7	Very high	94 Å²	94	65.6 Å²	65.6	44%	0.439	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	122.8	172.7	175.5	170.7	-9.7	0	0	108.7	V349 Y351 D366	V349-Q364 HydrophobicContact CG1-CG 4.41Å; Y351-Q364 HydrophobicContact CD1-CB 4.19Å; Y351-Q364 HydrophobicContact CD1-CG 4.15Å; Y351-Q364 HydrophobicContact CE1-CB 4.15Å; Y351-Q364 HydrophobicContact CE1-CG 3.66Å; Y351-Q364 PolarHBondContact OH-NE2 2.89Å; Q364-D366 HydrophobicContact CG-CB 3.81Å; Q364-D366 PolarHBondContact NE2-OD2 3.06Å
365	I	96.1	Very high	93.4	Very high	4 Å²	4	73 Å²	73	2%	0.021	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	80.9	-177.6	-52.9	160	0	0	0	107.6	V350 I352 L380 A382	V350-I365 HydrophobicContact CB-CB 4.39Å; V350-I365 HydrophobicContact CB-CD1 4.21Å; V350-I365 HydrophobicContact CG1-CD1 4.1Å; V350-I365 PolarHBondContact O-N 3.19Å; I352-I365 HydrophobicContact CD1-CD1 3.91Å; I365-L380 HydrophobicContact CD1-CB 3.98Å; I365-L380 HydrophobicContact CD1-CD1 3.93Å; I365-L380 HydrophobicContact CD1-CG 4.5Å; I365-L380 HydrophobicContact CG2-CD2 4.36Å; I365-A382 HydrophobicContact CD1-CB 4.15Å
366	D	93.6	Very high	93.2	Very high	89 Å²	89	73 Å²	73	48%	0.476	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	2	-167.4	68.2	-18.2	0	0	0	114.6	V349 Q364 K368	V349-D366 HydrophobicContact CG1-CB 3.62Å; V349-D366 HydrophobicContact CG2-CB 4.31Å; Q364-D366 HydrophobicContact CG-CB 3.81Å; Q364-D366 PolarHBondContact NE2-OD2 3.06Å; D366-K368 PolarHBondContact O-N 3.23Å; D366-K368 VanDerWaalsContact O-N 3.12Å
367	H	92.2	Very high	93.2	Very high	69 Å²	69	75.8 Å²	75.8	32%	0.319	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	-20.1	174.8	74	-82.5	0	0	0	112.6	L281 D282	L281-H367 VanDerWaalsContact C-CE1 3.43Å; L281-H367 HydrophobicContact CD1-CB 3.91Å; L281-H367 PolarHBondContact O-CE1 3.31Å; D282-H367 IonicContact OD1-CD2 3.63Å; D282-H367 IonicContact OD1-CE1 3.28Å; D282-H367 IonicContact OD1-NE2 2.73Å; D282-H367 PolarHBondContact OD1-NE2 2.65Å
368	K	92.6	Very high	93.3	Very high	111 Å²	111	74.1 Å²	74.1	48%	0.483	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	141.4	175.5	-178.9	178.4	172.9	-176.7	0	110.7	D366 Q370	D366-K368 PolarHBondContact O-N 3.23Å; D366-K368 VanDerWaalsContact O-N 3.12Å; K368-Q370 PolarHBondContact O-N 2.93Å; K368-Q370 PolarHBondContact O-NE2 3.24Å
369	L	93.3	Very high	93.5	Very high	93 Å²	93	67.5 Å²	67.5	49%	0.487	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	131	171.6	-63.9	179	0	0	0	111	W347 V349	W347-L369 HydrophobicContact CB-CB 4.25Å; W347-L369 HydrophobicContact CB-CD1 4.28Å; W347-L369 HydrophobicContact CE3-CB 4Å; V349-L369 HydrophobicContact CG2-CD2 3.71Å
370	Q	93.3	Very high	93.6	Very high	15 Å²	15	62.5 Å²	62.5	7%	0.07	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	130.2	179.5	-57.2	-52.5	-41.2	0	0	110.6	M338 W347 G348 V350 K368 L372 L380	M338-Q370 HydrophobicContact CE-CB 4.34Å; W347-Q370 VanDerWaalsContact CA-O 3.29Å; W347-Q370 WeakPolarHBondContact CA-O 3.35Å; G348-Q370 PolarHBondContact N-O 2.02Å; G348-Q370 VanDerWaalsContact N-O 3.08Å; G348-Q370 WeakPolarHBondContact O-CB 3.44Å; G348-Q370 PolarHBondContact O-N 2.69Å; V350-Q370 HydrophobicContact CG2-CB 4.27Å; V350-Q370 HydrophobicContact CG2-CG 3.85Å; K368-Q370 PolarHBondContact O-N 2.93Å; K368-Q370 PolarHBondContact O-NE2 3.24Å; Q370-L372 HydrophobicContact CB-CD2 4.34Å; Q370-L380 HydrophobicContact CG-CD2 3.87Å
371	R	91.6	Very high	93.7	Very high	116 Å²	116	57.9 Å²	57.9	44%	0.438	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	126.3	174.6	-168.3	174.9	168	179.5	-10.1	109.6	L345 W347 E373	L345-R371 HydrophobicContact CD1-CG 3.5Å; L345-R371 VanDerWaalsContact CD1-CG 3.5Å; W347-R371 HydrophobicContact CE3-CB 4.04Å; W347-R371 HydrophobicContact CH2-CB 3.75Å; W347-R371 HydrophobicContact CH2-CG 3.85Å; W347-R371 HydrophobicContact CZ2-CB 4.3Å; W347-R371 HydrophobicContact CZ2-CG 3.95Å; W347-R371 HydrophobicContact CZ3-CB 3.61Å; W347-R371 HydrophobicContact CZ3-CG 4.18Å; R371-E373 IonicContact CZ-OE1 3.22Å; R371-E373 IonicContact CZ-OE2 3.24Å; R371-E373 VanDerWaalsContact CZ-OE2 3.24Å; R371-E373 IonicContact NE-OE1 3.22Å; R371-E373 PolarHBondContact NE-OE1 2.82Å; R371-E373 IonicContact NE-OE2 2.95Å; R371-E373 PolarHBondContact NE-OE2 2.88Å; R371-E373 IonicContact NH2-OE1 2.79Å; R371-E373 PolarHBondContact NH2-OE1 2.8Å; R371-E373 IonicContact NH2-OE2 2.72Å; R371-E373 PolarHBondContact NH2-OE2 3.44Å
372	L	90.5	Very high	93.7	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	102.1	-175.9	-47.9	167	0	0	0	108.7	M338 T340 N342 R346 Q370 I398 I410	M338-L372 HydrophobicContact CE-CD2 3.75Å; T340-L372 HydrophobicContact CG2-CB 4.44Å; T340-L372 HydrophobicContact CG2-CD2 3.71Å; N342-L372 WeakPolarHBondContact ND2-CB 3.32Å; R346-L372 HydrophobicContact CB-CB 4.23Å; R346-L372 HydrophobicContact CB-CD1 4.41Å; R346-L372 PolarHBondContact N-O 2.85Å; R346-L372 PolarHBondContact O-N 2.88Å; Q370-L372 HydrophobicContact CB-CD2 4.34Å; L372-I398 HydrophobicContact CD1-CD1 4.35Å; L372-I398 HydrophobicContact CD1-CG2 3.6Å; L372-I410 HydrophobicContact CD1-CD1 4.24Å
373	E	90.9	Very high	93.7	Very high	50 Å²	50	55.9 Å²	55.9	23%	0.234	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	-162.6	179.5	64.1	-177.6	-170.7	0	0	110.1	T340 N342 L345 R371 Y375 T376	T340-E373 CarbonylContact C-O 3.31Å; T340-E373 PolarHBondContact OG1-O 2.95Å; T340-E373 VanDerWaalsContact OG1-O 3.13Å; N342-E373 PolarHBondContact N-O 2.96Å; N342-E373 VanDerWaalsContact N-O 3.12Å; N342-E373 CarbonylContact O-C 3.54Å; N342-E373 VanDerWaalsContact O-C 3.31Å; L345-E373 HydrophobicContact CD1-CB 4.17Å; R371-E373 IonicContact CZ-OE1 3.22Å; R371-E373 IonicContact CZ-OE2 3.24Å; R371-E373 VanDerWaalsContact CZ-OE2 3.24Å; R371-E373 IonicContact NE-OE1 3.22Å; R371-E373 PolarHBondContact NE-OE1 2.82Å; R371-E373 IonicContact NE-OE2 2.95Å; R371-E373 PolarHBondContact NE-OE2 2.88Å; R371-E373 IonicContact NH2-OE1 2.79Å; R371-E373 PolarHBondContact NH2-OE1 2.8Å; R371-E373 IonicContact NH2-OE2 2.72Å; R371-E373 PolarHBondContact NH2-OE2 3.44Å; E373-Y375 PolarHBondContact O-N 2.87Å; E373-T376 WeakPolarHBondContact CG-OG1 3.48Å
374	Q	91.4	Very high	93.7	Very high	97 Å²	97	55.8 Å²	55.8	45%	0.453	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	126.7	-176.2	-151.7	-175.8	4.9	0	0	111.3	W341 N342 T376	W341-Q374 HydrophobicContact CG-CG 4.18Å; W341-Q374 VanDerWaalsContact NE1-NE2 3.15Å; N342-Q374 PolarHBondContact O-N 2.97Å; Q374-T376 VanDerWaalsContact C-N 3.26Å; Q374-T376 PolarHBondContact O-N 3.08Å
375	Y	89.6	Confident	93.6	Very high	155 Å²	155	55.7 Å²	55.7	61%	0.608	27%	0.265	S	S	*	.	E	Extended strand (participates in β ladder)	trans	58.1	28.7	176.7	-56.6	-68.4	0	0	0	115.4	T340 W341 E373 S377 L413	T340-Y375 VanDerWaalsContact O-CA 3.23Å; T340-Y375 WeakPolarHBondContact O-CA 3.5Å; T340-Y375 PolarHBondContact O-N 2.95Å; W341-Y375 AromaticContact CD1-CD1 3.77Å; W341-Y375 AromaticContact CD1-CE1 3.38Å; W341-Y375 AromaticContact CD1-CE2 3.81Å; W341-Y375 AromaticContact CD1-CZ 3.4Å; W341-Y375 AromaticContact NE1-CE1 3.68Å; W341-Y375 AromaticContact NE1-CE2 3.58Å; W341-Y375 AromaticContact NE1-CZ 3.19Å; W341-Y375 PolarHBondContact NE1-OH 2.56Å; W341-Y375 VanDerWaalsContact NE1-OH 3.14Å; E373-Y375 PolarHBondContact O-N 2.87Å; Y375-S377 PolarHBondContact O-N 3.07Å; Y375-L413 HydrophobicContact CD1-CD1 4.03Å; Y375-L413 HydrophobicContact CE1-CD1 4.07Å
376	T	91.5	Very high	93.4	Very high	25 Å²	25	60.8 Å²	60.8	15%	0.153	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	119.6	178.6	-41.1	0	0	0	0	110.8	V339 T340 E373 Q374	V339-T376 WeakPolarHBondContact CA-O 3.36Å; T340-T376 PolarHBondContact N-O 2.92Å; T340-T376 PolarHBondContact O-N 3.15Å; T340-T376 WeakPolarHBondContact OG1-CB 3.37Å; T340-T376 PolarHBondContact OG1-O 3.46Å; E373-T376 WeakPolarHBondContact CG-OG1 3.48Å; Q374-T376 VanDerWaalsContact C-N 3.26Å; Q374-T376 PolarHBondContact O-N 3.08Å
377	S	93.1	Very high	93.3	Very high	90 Å²	90	59.1 Å²	59.1	63%	0.629	28%	0.28	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.7	116.3	167.8	-177.5	0	0	0	0	109.7	M338 Y375	M338-S377 CarbonylContact O-C 3.42Å; M338-S377 WeakPolarHBondContact O-CA 3.25Å; Y375-S377 PolarHBondContact O-N 3.07Å
378	T	92.9	Very high	93.1	Very high	17 Å²	17	56.5 Å²	56.5	10%	0.104	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	129.8	178.9	-54.5	0	0	0	0	109.4	M338 L380	M338-T378 HydrophobicContact CE-CG2 3.84Å; M338-T378 PolarHBondContact N-O 3.31Å; M338-T378 PolarHBondContact O-N 2.84Å; T378-L380 HydrophobicContact CG2-CD2 3.6Å; T378-L380 HydrophobicContact CG2-CG 4.2Å
379	R	95.2	Very high	92.8	Very high	106 Å²	106	56.4 Å²	56.4	40%	0.4	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	135.8	169.5	-179.9	172.2	-67.1	158.8	3.8	109.1	G283 R335 V336 D337	G283-R379 WeakPolarHBondContact O-CD 3.21Å; R335-R379 HydrophobicContact CG-CG 3.93Å; V336-R379 CarbonylContact O-C 3.32Å; V336-R379 WeakPolarHBondContact O-CA 3.5Å; D337-R379 IonicContact OD1-CZ 3.62Å; D337-R379 IonicContact OD1-NE 2.88Å; D337-R379 PolarHBondContact OD1-NE 2.92Å; D337-R379 IonicContact OD1-NH2 3.44Å; D337-R379 PolarHBondContact OD1-NH2 2.91Å
380	L	96.1	Very high	92.4	Very high	3 Å²	3	57.6 Å²	57.6	2%	0.016	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	152.8	178.4	-48.1	170.1	0	0	0	109.9	V336 M338 V350 I365 Q370 T378	V336-L380 HydrophobicContact CB-CB 4.24Å; V336-L380 PolarHBondContact N-O 2.91Å; V336-L380 PolarHBondContact O-N 2.83Å; M338-L380 HydrophobicContact CE-CD1 3.94Å; M338-L380 HydrophobicContact CE-CD2 4.47Å; M338-L380 HydrophobicContact CE-CG 4.48Å; M338-L380 HydrophobicContact SD-CD1 3.96Å; V350-L380 HydrophobicContact CB-CD1 4.33Å; V350-L380 HydrophobicContact CG1-CD1 4.18Å; V350-L380 HydrophobicContact CG2-CD1 4.19Å; I365-L380 HydrophobicContact CD1-CB 3.98Å; I365-L380 HydrophobicContact CD1-CD1 3.93Å; I365-L380 HydrophobicContact CD1-CG 4.5Å; I365-L380 HydrophobicContact CG2-CD2 4.36Å; Q370-L380 HydrophobicContact CG-CD2 3.87Å; T378-L380 HydrophobicContact CG2-CD2 3.6Å; T378-L380 HydrophobicContact CG2-CG 4.2Å
381	L	97.2	Very high	92.2	Very high	8 Å²	8	58 Å²	58	4%	0.042	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	105.9	166.3	178.1	59.6	0	0	0	108.4	F280 L286 Q383 L420	F280-L381 HydrophobicContact CD1-CD2 4.33Å; F280-L381 HydrophobicContact CD2-CD2 4.47Å; F280-L381 HydrophobicContact CE1-CD2 3.84Å; F280-L381 HydrophobicContact CE2-CD2 4Å; F280-L381 HydrophobicContact CZ-CD2 3.66Å; L286-L381 HydrophobicContact CD1-CD1 4.12Å; L286-L381 HydrophobicContact CD2-CD1 3.75Å; L286-L381 HydrophobicContact CD2-CD2 4.08Å; L286-L381 HydrophobicContact CD2-CG 4.35Å; L381-Q383 HydrophobicContact CD1-CG 4.1Å; L381-Q383 HydrophobicContact CD2-CG 4.06Å; L381-Q383 HydrophobicContact CG-CG 3.66Å; L381-L420 HydrophobicContact CD1-CD1 3.71Å
382	A	97.2	Very high	92.2	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	117.1	175	0	0	0	0	0	109	S333 Y334 V336 I352 A363 I365 F384	S333-A382 CarbonylContact C-O 3.54Å; S333-A382 VanDerWaalsContact CA-O 3.29Å; S333-A382 WeakPolarHBondContact CA-O 3.28Å; Y334-A382 PolarHBondContact N-O 3.42Å; Y334-A382 PolarHBondContact O-N 3.31Å; V336-A382 HydrophobicContact CG2-CB 3.71Å; I352-A382 HydrophobicContact CD1-CB 4.05Å; A363-A382 HydrophobicContact CB-CB 4.02Å; I365-A382 HydrophobicContact CD1-CB 4.15Å; A382-F384 HydrophobicContact CB-CE2 3.94Å; A382-F384 HydrophobicContact CB-CZ 4.24Å
383	Q	96.7	Very high	92.4	Very high	30 Å²	30	61.3 Å²	61.3	14%	0.14	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	127.4	-177	-48.7	-178.6	-79.3	0	0	110.9	S322 K331 A363 L381	S322-Q383 VanDerWaalsContact CB-NE2 3.26Å; S322-Q383 PolarHBondContact OG-NE2 3.45Å; S322-Q383 PolarHBondContact OG-OE1 3.02Å; K331-Q383 HydrophobicContact CB-CB 4.48Å; K331-Q383 HydrophobicContact CD-CB 4Å; A363-Q383 WeakPolarHBondContact CB-O 3.49Å; L381-Q383 HydrophobicContact CD1-CG 4.1Å; L381-Q383 HydrophobicContact CD2-CG 4.06Å; L381-Q383 HydrophobicContact CG-CG 3.66Å
384	F	96.3	Very high	92.7	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	143.3	-175.3	-58.3	-86.9	0	0	0	110.1	K331 L332 Y334 I352 L354 T361 A363 A382 E386	K331-F384 CarbonylContact C-O 3.53Å; K331-F384 VanDerWaalsContact CA-O 3.28Å; K331-F384 WeakPolarHBondContact CA-O 3.21Å; L332-F384 HydrophobicContact CB-CB 4.33Å; L332-F384 PolarHBondContact N-O 3.19Å; L332-F384 WeakPolarHBondContact O-CD2 3.21Å; L332-F384 PolarHBondContact O-N 3.04Å; Y334-F384 HydrophobicContact CD2-CD2 4.06Å; Y334-F384 AromaticContact CD2-CE2 3.75Å; Y334-F384 HydrophobicContact CD2-CE2 3.75Å; Y334-F384 HydrophobicContact CE2-CD2 4.48Å; Y334-F384 HydrophobicContact CE2-CE2 4.37Å; I352-F384 HydrophobicContact CB-CZ 4.29Å; I352-F384 HydrophobicContact CG2-CE1 4.37Å; I352-F384 HydrophobicContact CG2-CZ 3.84Å; I352-F384 WeakPolarHBondContact O-CE1 3.29Å; L354-F384 HydrophobicContact CD1-CD1 4.29Å; L354-F384 HydrophobicContact CD1-CD2 3.92Å; L354-F384 HydrophobicContact CD1-CE1 4.07Å; L354-F384 HydrophobicContact CD1-CE2 3.73Å; L354-F384 HydrophobicContact CD1-CG 4.21Å; L354-F384 HydrophobicContact CD1-CZ 3.79Å; L354-F384 HydrophobicContact CD2-CZ 4.08Å; L354-F384 HydrophobicContact CG-CD1 4.27Å; L354-F384 HydrophobicContact CG-CE1 3.7Å; L354-F384 HydrophobicContact CG-CE2 4.09Å; L354-F384 HydrophobicContact CG-CZ 3.61Å; T361-F384 HydrophobicContact CG2-CB 3.89Å; T361-F384 HydrophobicContact CG2-CD1 3.6Å; T361-F384 HydrophobicContact CG2-CE1 4.43Å; T361-F384 HydrophobicContact CG2-CG 3.99Å; A363-F384 HydrophobicContact CB-CD1 3.71Å; A363-F384 HydrophobicContact CB-CD2 4.27Å; A363-F384 HydrophobicContact CB-CE1 3.41Å; A363-F384 VanDerWaalsContact CB-CE1 3.41Å; A363-F384 HydrophobicContact CB-CE2 3.97Å; A363-F384 HydrophobicContact CB-CG 4.15Å; A363-F384 HydrophobicContact CB-CZ 3.54Å; A363-F384 VanDerWaalsContact N-CE1 3.3Å; A382-F384 HydrophobicContact CB-CE2 3.94Å; A382-F384 HydrophobicContact CB-CZ 4.24Å; F384-E386 VanDerWaalsContact C-N 3.32Å
385	D	94.6	Very high	92.9	Very high	92 Å²	92	54.4 Å²	54.4	49%	0.492	27%	0.266	S	S	.	.	S	Bend	trans	-81.4	-14.3	-179.6	-71.6	-4.3	0	0	0	113	T324 K331	T324-D385 HydrophobicContact CG2-CB 3.82Å; K331-D385 WeakPolarHBondContact CE-OD1 3.26Å; K331-D385 IonicContact NZ-OD1 3.41Å; K331-D385 PolarHBondContact NZ-OD1 3.14Å
386	E	92.3	Very high	93.2	Very high	110 Å²	110	47 Å²	47	51%	0.514	24%	0.238	S	C	.	.	S	Bend	trans	-125.2	138.6	179.2	-64.3	-175.5	-170.1	0	0	111.8	F384 L388	F384-E386 VanDerWaalsContact C-N 3.32Å; E386-L388 PolarHBondContact O-N 3.39Å
387	D	90.3	Very high	93.4	Very high	55 Å²	55	49.4 Å²	49.4	29%	0.294	24%	0.244	S	C	.	.			trans	-88	81.1	172.8	-172.8	12.7	0	0	0	111.3	Q389 R422 R425	D387-Q389 PolarHBondContact O-N 3.41Å; D387-Q389 PolarHBondContact O-NE2 2.85Å; D387-Q389 PolarHBondContact OD2-NE2 2.95Å; D387-R422 IonicContact OD2-CZ 3.66Å; D387-R422 IonicContact OD2-NE 3.65Å; D387-R422 PolarHBondContact OD2-NE 2.04Å; D387-R422 VanDerWaalsContact OD2-NE 3.17Å; D387-R422 IonicContact OD2-NH2 2.75Å; D387-R422 PolarHBondContact OD2-NH2 3.48Å; D387-R425 IonicContact OD1-CZ 2.88Å; D387-R425 IonicContact OD1-NH1 3.35Å; D387-R425 PolarHBondContact OD1-NH1 2.88Å; D387-R425 IonicContact OD1-NH2 3.44Å; D387-R425 PolarHBondContact OD1-NH2 2.88Å; D387-R425 IonicContact OD2-NH2 3.73Å
388	L	89.8	Confident	93.4	Very high	14 Å²	14	45.1 Å²	45.1	7%	0.073	21%	0.214	C	C	.	.			trans	-68.4	121.5	175.6	-65.5	-172.1	0	0	0	111.3	L354 N359 T361 E386 R425	L354-L388 VanDerWaalsContact O-CD1 3.28Å; L354-L388 WeakPolarHBondContact O-CD1 3.08Å; N359-L388 HydrophobicContact CB-CD2 4.35Å; T361-L388 HydrophobicContact CG2-CD1 3.74Å; T361-L388 HydrophobicContact CG2-CG 3.8Å; E386-L388 PolarHBondContact O-N 3.39Å; L388-R425 PolarHBondContact O-NH2 3.05Å
389	Q	84.4	Confident	93.4	Very high	108 Å²	108	46.8 Å²	46.8	51%	0.505	22%	0.222	S	C	.	.	S	Bend	trans	-76.8	145.4	171.3	-55.6	-53.7	-41.1	0	0	110.4	S356 D387 R425	S356-Q389 WeakPolarHBondContact CB-O 3.04Å; S356-Q389 PolarHBondContact OG-O 2.89Å; D387-Q389 PolarHBondContact O-N 3.41Å; D387-Q389 PolarHBondContact O-NE2 2.85Å; D387-Q389 PolarHBondContact OD2-NE2 2.95Å; Q389-R425 VanDerWaalsContact CD-NH2 3.26Å
390	N	85.3	Confident	93.1	Very high	118 Å²	118	43.3 Å²	43.3	63%	0.631	21%	0.213	S	C	*	.	S	Bend	trans	55	71.5	175.7	-167.9	23.3	0	0	0	113.7	S356 Q392	S356-N390 PolarHBondContact OG-O 2.94Å; N390-Q392 PolarHBondContact O-N 2.72Å; N390-Q392 VanDerWaalsContact O-N 3.08Å
391	V	89.8	Confident	92.5	Very high	23 Å²	23	45.7 Å²	45.7	14%	0.139	24%	0.238	C	C	.	.			trans	-66.3	108.3	177.2	-178.7	0	0	0	0	110.1	L354 I394 P445	L354-V391 HydrophobicContact CB-CG1 4.1Å; L354-V391 HydrophobicContact CB-CG2 4.18Å; L354-V391 HydrophobicContact CD1-CG2 4.24Å; L354-V391 HydrophobicContact CD2-CG1 4.1Å; V391-I394 HydrophobicContact CG1-CG1 3.92Å; V391-P445 HydrophobicContact CG1-CG 4.37Å
392	Q	91.9	Very high	91.5	Very high	100 Å²	100	47.8 Å²	47.8	47%	0.467	25%	0.249	S	C	.	.			trans	-90.2	-27.8	-177.1	-69.3	169.9	-14.5	0	0	112.8	H355 N390	H355-Q392 PolarHBondContact O-N 3.2Å; N390-Q392 PolarHBondContact O-N 2.72Å; N390-Q392 VanDerWaalsContact O-N 3.08Å
393	K	94.7	Very high	90.2	Very high	86 Å²	86	55.4 Å²	55.4	37%	0.374	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	140	-173.8	177.3	-173.4	73	178.2	0	109.1	H355 A442	H355-K393 HydrophobicContact CB-CB 4.06Å; H355-K393 WeakPolarHBondContact CB-O 3.42Å; H355-K393 PolarHBondContact CD2-O 2.77Å; H355-K393 PolarHBondContact N-O 2.89Å; H355-K393 VanDerWaalsContact ND1-CE 3.31Å; H355-K393 WeakPolarHBondContact ND1-CE 3.29Å; H355-K393 PolarHBondContact ND1-NZ 3.35Å; K393-A442 HydrophobicContact CD-CB 3.95Å; K393-A442 HydrophobicContact CG-CB 4.08Å
394	I	95.7	Very high	88.9	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	134.4	171.3	-59.2	-178.5	0	0	0	106.9	I352 R353 L354 V391 F417 M428 A442 F443 P445	I352-I394 HydrophobicContact CG2-CG2 3.99Å; R353-I394 CarbonylContact O-C 3.59Å; R353-I394 VanDerWaalsContact O-CA 3.3Å; R353-I394 WeakPolarHBondContact O-CA 3.27Å; L354-I394 HydrophobicContact CD2-CD1 4.05Å; L354-I394 HydrophobicContact CD2-CG1 3.86Å; L354-I394 HydrophobicContact CD2-CG2 4.41Å; V391-I394 HydrophobicContact CG1-CG1 3.92Å; I394-F417 HydrophobicContact CD1-CD2 4.08Å; I394-F417 HydrophobicContact CD1-CE1 4.42Å; I394-F417 HydrophobicContact CD1-CE2 3.98Å; I394-F417 HydrophobicContact CD1-CG 4.36Å; I394-F417 HydrophobicContact CD1-CZ 4.17Å; I394-F417 HydrophobicContact CG2-CE1 4.47Å; I394-F417 HydrophobicContact CG2-CZ 4.02Å; I394-M428 HydrophobicContact CD1-CE 4.17Å; I394-M428 HydrophobicContact CD1-SD 4.31Å; I394-A442 CarbonylContact O-C 3.53Å; I394-A442 VanDerWaalsContact O-CA 3.32Å; I394-A442 WeakPolarHBondContact O-CA 3.23Å; I394-F443 HydrophobicContact CB-CD2 4.27Å; I394-F443 HydrophobicContact CB-CE2 3.76Å; I394-F443 HydrophobicContact CB-CZ 3.89Å; I394-F443 HydrophobicContact CD1-CE2 4.29Å; I394-F443 HydrophobicContact CG1-CE2 4.5Å; I394-F443 HydrophobicContact CG2-CE1 4.25Å; I394-F443 HydrophobicContact CG2-CE2 3.99Å; I394-F443 HydrophobicContact CG2-CZ 3.62Å; I394-F443 PolarHBondContact N-O 3.06Å; I394-F443 PolarHBondContact O-N 3.28Å; I394-F443 VanDerWaalsContact O-O 3.12Å; I394-P445 HydrophobicContact CD1-CB 3.86Å; I394-P445 HydrophobicContact CD1-CG 4.33Å; I394-P445 HydrophobicContact CG1-CB 4.27Å; I394-P445 HydrophobicContact CG1-CG 4.24Å
395	S	96.1	Very high	87.6	Confident	2 Å²	2	63.9 Å²	63.9	1%	0.014	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	147.5	166	63.9	0	0	0	0	110.9	I352 R353 H355 E440 V441	I352-S395 CarbonylContact C-O 3.51Å; I352-S395 WeakPolarHBondContact CA-O 2.95Å; R353-S395 WeakPolarHBondContact CB-OG 3.3Å; R353-S395 PolarHBondContact N-O 3.15Å; R353-S395 PolarHBondContact O-N 2.91Å; H355-S395 PolarHBondContact NE2-OG 2.97Å; S395-E440 VanDerWaalsContact CB-OE1 3.24Å; S395-E440 WeakPolarHBondContact CB-OE1 3.41Å; S395-E440 PolarHBondContact OG-OE1 3.14Å; S395-V441 CarbonylContact C-O 3.25Å; S395-V441 VanDerWaalsContact CA-O 3.29Å; S395-V441 WeakPolarHBondContact CA-O 3.42Å
396	M	96	Very high	86.7	Confident	1 Å²	1	63.7 Å²	63.7	1%	0.005	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	140.3	-178.1	-173.4	-178.3	177.3	0	0	109.5	M338 V350 Y351 I352 I398 L412 I415 M435 V441 F443	M338-M396 HydrophobicContact SD-CE 4.24Å; V350-M396 HydrophobicContact CG1-CE 3.55Å; V350-M396 HydrophobicContact CG2-CE 4.47Å; Y351-M396 VanDerWaalsContact O-CA 3.3Å; Y351-M396 WeakPolarHBondContact O-CA 3.49Å; I352-M396 HydrophobicContact CG1-CG 4.31Å; M396-I398 HydrophobicContact CE-CD1 3.84Å; M396-I398 HydrophobicContact CE-CG1 3.87Å; M396-L412 HydrophobicContact CE-CD1 3.78Å; M396-L412 HydrophobicContact SD-CD1 3.58Å; M396-L412 VanDerWaalsContact SD-CD1 3.58Å; M396-I415 HydrophobicContact CE-CD1 4.29Å; M396-I415 HydrophobicContact SD-CD1 3.74Å; M396-M435 HydrophobicContact CB-CE 4.14Å; M396-M435 HydrophobicContact CG-CE 4.16Å; M396-M435 HydrophobicContact SD-CE 4.07Å; M396-V441 PolarHBondContact N-O 3.31Å; M396-V441 PolarHBondContact O-N 3.46Å; M396-F443 HydrophobicContact CB-CE1 4.23Å
397	R	95.3	Very high	86.1	Confident	75 Å²	75	65.1 Å²	65.1	28%	0.283	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	133.8	173.5	178	-178.2	66.9	174.6	-0.9	108.5	Y351 E440	Y351-R397 PolarHBondContact N-O 3.39Å; Y351-R397 PolarHBondContact O-N 3.15Å; R397-E440 HydrophobicContact CB-CB 4.45Å
398	I	94.4	Very high	85.9	Confident	0 Å²	0	67 Å²	67	0%	0	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	114	171.9	-57.4	171.8	0	0	0	108.2	V349 V350 L372 M396 I410 L412 M435 N438	V349-I398 WeakPolarHBondContact O-CA 3.44Å; V350-I398 HydrophobicContact CG2-CG1 4.35Å; L372-I398 HydrophobicContact CD1-CD1 4.35Å; L372-I398 HydrophobicContact CD1-CG2 3.6Å; M396-I398 HydrophobicContact CE-CD1 3.84Å; M396-I398 HydrophobicContact CE-CG1 3.87Å; I398-I410 HydrophobicContact CB-CD1 4Å; I398-I410 HydrophobicContact CD1-CD1 4.27Å; I398-I410 HydrophobicContact CD1-CG2 3.89Å; I398-I410 HydrophobicContact CG2-CD1 3.98Å; I398-L412 HydrophobicContact CD1-CD2 4.5Å; I398-M435 HydrophobicContact CD1-SD 3.68Å; I398-M435 HydrophobicContact CG1-SD 3.87Å; I398-N438 PolarHBondContact O-N 3.08Å
399	N	92.9	Very high	85.9	Confident	52 Å²	52	74 Å²	74	28%	0.278	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	115.8	179.1	-171.9	-11.5	0	0	0	110	G348 V349 Y351 G401 N438	G348-N399 CarbonylContact C-O 3.59Å; G348-N399 WeakPolarHBondContact CA-O 3.32Å; V349-N399 PolarHBondContact N-O 3.24Å; V349-N399 PolarHBondContact O-N 3.32Å; Y351-N399 HydrophobicContact CD2-CB 4.4Å; Y351-N399 HydrophobicContact CE2-CB 3.79Å; N399-G401 PolarHBondContact OD1-N 3.12Å; N399-N438 VanDerWaalsContact CA-OD1 3.22Å; N399-N438 WeakPolarHBondContact CA-OD1 3Å; N399-N438 PolarHBondContact OD1-OD1 2.96Å
400	T	88.8	Confident	86.2	Confident	32 Å²	32	69 Å²	69	20%	0.196	36%	0.36	C	S	.	.			trans	-94.5	0.1	-179.7	58.1	0	0	0	0	113	W347 N402 I410 E437 N438	W347-T400 WeakPolarHBondContact O-CA 3.39Å; T400-N402 PolarHBondContact O-N 2.95Å; T400-I410 HydrophobicContact CG2-CD1 4.25Å; T400-E437 WeakPolarHBondContact CB-OE2 3.41Å; T400-E437 HydrophobicContact CG2-CB 4.01Å; T400-E437 WeakPolarHBondContact CG2-OE2 3.42Å; T400-E437 VanDerWaalsContact OG1-CD 3.24Å; T400-E437 PolarHBondContact OG1-OE2 2.82Å; T400-N438 PolarHBondContact N-OD1 3.42Å
401	G	81.9	Confident	86.6	Confident	54 Å²	54	67.2 Å²	67.2	56%	0.557	35%	0.345	S	S	*	.	S	Bend	trans	73.4	-2.2	-174.9	0	0	0	0	0	114	N399 I403	N399-G401 PolarHBondContact OD1-N 3.12Å; G401-I403 PolarHBondContact O-N 3.38Å
402	N	76.2	Confident	86.8	Confident	51 Å²	51	66.1 Å²	66.1	27%	0.273	34%	0.338	S	S	.	.			trans	-79	101.1	-179.9	-167.3	26.6	0	0	0	110.6	T400 I404 E437 N438	T400-N402 PolarHBondContact O-N 2.95Å; N402-I404 PolarHBondContact OD1-O 2.86Å; N402-I404 VanDerWaalsContact OD1-O 3.13Å; N402-E437 PolarHBondContact ND2-OE1 3.13Å; N402-N438 PolarHBondContact O-ND2 3.33Å
403	I	71.9	Confident	86.9	Confident	161 Å²	161	63.8 Å²	63.8	83%	0.826	33%	0.328	S	S	*	.			trans	-97.2	-26.9	-177.8	-58	169.6	0	0	0	111.5	G401	G401-I403 PolarHBondContact O-N 3.38Å
404	I	68.1	Low	86.8	Confident	155 Å²	155	65.4 Å²	65.4	80%	0.795	33%	0.332	S	S	*	.	S	Bend	trans	-121	122.4	-173.6	-57.8	172.2	0	0	0	108.7	N402	N402-I404 PolarHBondContact OD1-O 2.86Å; N402-I404 VanDerWaalsContact OD1-O 3.13Å
405	G	68.5	Low	86.8	Confident	52 Å²	52	65.4 Å²	65.4	54%	0.536	33%	0.332	S	S	.	.	S	Bend	trans	119	-175.9	178.3	0	0	0	0	0	113.8
406	P	75.8	Confident	86.7	Confident	89 Å²	89	69.9 Å²	69.9	58%	0.578	35%	0.349	S	S	*	.	P	Polyproline II helix	trans	-67.4	135.6	179.6	28.3	-33.4	0	0	0	110.1	Y408	P406-Y408 HydrophobicContact CG-CE2 4.29Å; P406-Y408 WeakPolarHBondContact O-CD2 3.06Å; P406-Y408 WeakPolarHBondContact O-CE2 3.41Å
407	R	80.3	Confident	86.7	Confident	140 Å²	140	69.9 Å²	69.9	53%	0.528	35%	0.349	S	S	.	.	P	Polyproline II helix	trans	-82.7	136.5	173.2	-68.9	176.1	179.1	179.5	1.9	110.3	E436 E437	R407-E436 HydrophobicContact CB-CG 3.61Å; R407-E436 WeakPolarHBondContact CB-OE1 3.35Å; R407-E436 WeakPolarHBondContact CD-OE1 3.47Å; R407-E436 IonicContact NE-OE1 3.98Å; R407-E436 IonicContact NH1-OE1 3.42Å; R407-E436 PolarHBondContact NH1-OE1 3.31Å; R407-E437 WeakPolarHBondContact CA-OE1 3.29Å; R407-E437 HydrophobicContact CB-CG 3.96Å; R407-E437 HydrophobicContact CG-CG 4.22Å
408	Y	85.4	Confident	86.7	Confident	93 Å²	93	67.4 Å²	67.4	37%	0.365	34%	0.342	S	S	.	.	P	Polyproline II helix	trans	-99	148.9	-177.6	-62.5	-86.1	0	0	0	112.2	R346 P406 E437	R346-Y408 VanDerWaalsContact NH2-CD1 3.3Å; R346-Y408 VanDerWaalsContact NH2-CE1 3.32Å; R346-Y408 VanDerWaalsContact NH2-CZ 3.27Å; P406-Y408 HydrophobicContact CG-CE2 4.29Å; P406-Y408 WeakPolarHBondContact O-CD2 3.06Å; P406-Y408 WeakPolarHBondContact O-CE2 3.41Å; Y408-E437 PolarHBondContact N-OE1 2.73Å; Y408-E437 PolarHBondContact O-N 2.93Å
409	K	90	Very high	86.6	Confident	162 Å²	162	68 Å²	68	70%	0.704	35%	0.346	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.3	135	171.1	-66.6	-178.4	179.8	179.5	0	110	I434 M435	K409-I434 HydrophobicContact CB-CG2 4.33Å; K409-I434 HydrophobicContact CD-CG2 4.1Å; K409-I434 HydrophobicContact CG-CG2 4.42Å; K409-M435 CarbonylContact C-O 3.57Å; K409-M435 WeakPolarHBondContact CA-O 3.37Å
410	I	91.4	Very high	86.6	Confident	2 Å²	2	67 Å²	67	1%	0.01	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	127.3	171.1	-64	167.2	0	0	0	107.8	N342 L372 I398 T400 L412 M435 E437	N342-I410 VanDerWaalsContact OD1-CA 3.29Å; N342-I410 WeakPolarHBondContact OD1-CA 3.29Å; L372-I410 HydrophobicContact CD1-CD1 4.24Å; I398-I410 HydrophobicContact CB-CD1 4Å; I398-I410 HydrophobicContact CD1-CD1 4.27Å; I398-I410 HydrophobicContact CD1-CG2 3.89Å; I398-I410 HydrophobicContact CG2-CD1 3.98Å; T400-I410 HydrophobicContact CG2-CD1 4.25Å; I410-L412 HydrophobicContact CG2-CD2 4.41Å; I410-M435 HydrophobicContact CB-CG 3.99Å; I410-M435 HydrophobicContact CG2-CG 4.37Å; I410-M435 PolarHBondContact N-O 2.91Å; I410-M435 PolarHBondContact O-N 2.9Å; I410-E437 HydrophobicContact CD1-CB 4.02Å
411	R	93.6	Very high	86.6	Confident	82 Å²	82	67.8 Å²	67.8	31%	0.309	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	126.1	176.7	-169.6	178.8	-170.9	-177.7	4.1	110.5	T340 W341 N342 L413 D432 I433 I434	T340-R411 WeakPolarHBondContact CA-O 3.3Å; W341-R411 PolarHBondContact N-O 2.81Å; N342-R411 PolarHBondContact OD1-N 2.87Å; R411-L413 HydrophobicContact CG-CD2 4.42Å; R411-D432 IonicContact CZ-OD1 3.24Å; R411-D432 VanDerWaalsContact CZ-OD1 3.24Å; R411-D432 IonicContact CZ-OD2 3.95Å; R411-D432 IonicContact NE-OD1 2.72Å; R411-D432 PolarHBondContact NE-OD1 2.93Å; R411-D432 VanDerWaalsContact NH2-CG 3.26Å; R411-D432 IonicContact NH2-OD1 2.9Å; R411-D432 PolarHBondContact NH2-OD1 2.9Å; R411-D432 IonicContact NH2-OD2 2.93Å; R411-D432 PolarHBondContact NH2-OD2 2.72Å; R411-I433 CarbonylContact C-O 3.6Å; R411-I433 WeakPolarHBondContact CA-O 3.29Å; R411-I434 HydrophobicContact CG-CG1 4.15Å
412	L	93.4	Very high	86.8	Confident	0 Å²	0	69.5 Å²	69.5	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	112	169.8	-54.6	176.1	0	0	0	108.2	M338 V339 T340 M396 I398 I410 R414 D432 I433 M435	M338-L412 HydrophobicContact SD-CD2 4.42Å; V339-L412 CarbonylContact O-C 3.51Å; V339-L412 WeakPolarHBondContact O-CA 3.24Å; T340-L412 HydrophobicContact CG2-CD2 3.43Å; T340-L412 VanDerWaalsContact CG2-CD2 3.43Å; M396-L412 HydrophobicContact CE-CD1 3.78Å; M396-L412 HydrophobicContact SD-CD1 3.58Å; M396-L412 VanDerWaalsContact SD-CD1 3.58Å; I398-L412 HydrophobicContact CD1-CD2 4.5Å; I410-L412 HydrophobicContact CG2-CD2 4.41Å; L412-R414 VanDerWaalsContact C-N 3.33Å; L412-D432 CarbonylContact O-C 3.37Å; L412-D432 VanDerWaalsContact O-CA 3.31Å; L412-D432 WeakPolarHBondContact O-CA 3.49Å; L412-D432 PolarHBondContact O-N 2.93Å; L412-I433 HydrophobicContact CB-CB 4.22Å; L412-I433 HydrophobicContact CD1-CD1 4.47Å; L412-I433 PolarHBondContact N-O 3.44Å; L412-I433 PolarHBondContact O-N 2.8Å; L412-M435 HydrophobicContact CD1-CE 4.01Å; L412-M435 HydrophobicContact CD1-SD 4.44Å
413	L	94.1	Very high	87	Confident	50 Å²	50	72.5 Å²	72.5	26%	0.262	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	-39.6	178.1	-61.6	-179	0	0	0	111.1	V339 W341 Y375 R411 F431 D432	V339-L413 HydrophobicContact CB-CB 4.35Å; V339-L413 HydrophobicContact CG1-CB 4.26Å; V339-L413 HydrophobicContact CG1-CD1 4.08Å; V339-L413 PolarHBondContact O-N 2.83Å; W341-L413 HydrophobicContact CB-CD1 3.9Å; W341-L413 HydrophobicContact CB-CD2 3.82Å; W341-L413 HydrophobicContact CB-CG 3.72Å; W341-L413 HydrophobicContact CG-CD1 4.37Å; W341-L413 HydrophobicContact CG-CD2 4.34Å; Y375-L413 HydrophobicContact CD1-CD1 4.03Å; Y375-L413 HydrophobicContact CE1-CD1 4.07Å; R411-L413 HydrophobicContact CG-CD2 4.42Å; L413-F431 WeakPolarHBondContact O-CA 3.36Å; L413-D432 PolarHBondContact O-N 2.87Å
414	R	93.5	Very high	87.8	Confident	120 Å²	120	70.7 Å²	70.7	45%	0.453	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152	142.4	-179.3	-175.8	176.1	69.5	-175.6	-1.6	110.1	M338 V339 L412 R430 F431	M338-R414 CarbonylContact C-O 3.56Å; M338-R414 WeakPolarHBondContact CA-O 3.48Å; V339-R414 HydrophobicContact CB-CB 4.47Å; V339-R414 HydrophobicContact CG2-CB 4.44Å; V339-R414 PolarHBondContact N-O 3.44Å; L412-R414 VanDerWaalsContact C-N 3.33Å; R414-R430 CarbonylContact C-O 3.56Å; R414-R430 WeakPolarHBondContact CA-O 3.41Å; R414-F431 HydrophobicContact CB-CD1 4.07Å; R414-F431 HydrophobicContact CB-CE1 4.33Å; R414-F431 HydrophobicContact CG-CD1 3.84Å; R414-F431 HydrophobicContact CG-CE1 3.67Å
415	I	95	Very high	88.7	Confident	0 Å²	0	64.8 Å²	64.8	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	134.6	165.8	-170.3	166.9	0	0	0	109	V336 D337 M338 M396 F417 C429 R430 I433 F443	V336-I415 HydrophobicContact CG1-CD1 3.75Å; V336-I415 HydrophobicContact CG1-CG1 3.68Å; D337-I415 CarbonylContact O-C 3.49Å; D337-I415 WeakPolarHBondContact O-CA 3.35Å; M338-I415 HydrophobicContact CB-CD1 4.48Å; M338-I415 HydrophobicContact CB-CG1 4.2Å; M396-I415 HydrophobicContact CE-CD1 4.29Å; M396-I415 HydrophobicContact SD-CD1 3.74Å; I415-F417 HydrophobicContact CB-CE2 4.4Å; I415-F417 HydrophobicContact CD1-CE1 4.42Å; I415-F417 HydrophobicContact CD1-CE2 3.76Å; I415-F417 HydrophobicContact CD1-CZ 3.51Å; I415-F417 HydrophobicContact CG1-CD2 4.35Å; I415-F417 HydrophobicContact CG1-CE2 3.65Å; I415-F417 HydrophobicContact CG1-CZ 3.89Å; I415-F417 HydrophobicContact CG2-CE2 3.99Å; I415-C429 CarbonylContact O-C 3.43Å; I415-C429 VanDerWaalsContact O-CA 3.29Å; I415-C429 WeakPolarHBondContact O-CA 3.41Å; I415-R430 HydrophobicContact CG2-CB 3.78Å; I415-R430 PolarHBondContact N-O 2.94Å; I415-R430 PolarHBondContact O-N 2.87Å; I415-I433 HydrophobicContact CG2-CD1 3.79Å; I415-F443 HydrophobicContact CG2-CZ 4.36Å
416	R	95.3	Very high	89.7	Confident	96 Å²	96	66.3 Å²	66.3	36%	0.362	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	126.8	-179	174	178	174.5	154.9	5.5	109.6	V336 D337 V427 M428	V336-R416 CarbonylContact C-O 3.39Å; V336-R416 VanDerWaalsContact CA-O 3.27Å; V336-R416 WeakPolarHBondContact CA-O 3.49Å; D337-R416 HydrophobicContact CB-CB 4.43Å; D337-R416 PolarHBondContact N-O 2.92Å; D337-R416 PolarHBondContact O-N 2.88Å; R416-V427 HydrophobicContact CG-CG1 3.77Å; R416-M428 CarbonylContact C-O 3.57Å; R416-M428 WeakPolarHBondContact CA-O 3.35Å
417	F	95.2	Very high	90.6	Very high	1 Å²	1	64 Å²	64	0%	0.004	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	116.7	176.6	-60.5	-98.8	0	0	0	109	Y334 V336 I352 I394 I415 V427 M428 F443	Y334-F417 HydrophobicContact CD1-CB 3.94Å; V336-F417 HydrophobicContact CG1-CD1 4.27Å; V336-F417 HydrophobicContact CG1-CE1 4.02Å; V336-F417 HydrophobicContact CG1-CZ 4.31Å; V336-F417 HydrophobicContact CG2-CD1 3.57Å; V336-F417 HydrophobicContact CG2-CE1 3.78Å; V336-F417 HydrophobicContact CG2-CG 4.46Å; I352-F417 HydrophobicContact CD1-CE1 4.09Å; I352-F417 HydrophobicContact CG2-CE1 3.9Å; I352-F417 HydrophobicContact CG2-CZ 4.45Å; I394-F417 HydrophobicContact CD1-CD2 4.08Å; I394-F417 HydrophobicContact CD1-CE1 4.42Å; I394-F417 HydrophobicContact CD1-CE2 3.98Å; I394-F417 HydrophobicContact CD1-CG 4.36Å; I394-F417 HydrophobicContact CD1-CZ 4.17Å; I394-F417 HydrophobicContact CG2-CE1 4.47Å; I394-F417 HydrophobicContact CG2-CZ 4.02Å; I415-F417 HydrophobicContact CB-CE2 4.4Å; I415-F417 HydrophobicContact CD1-CE1 4.42Å; I415-F417 HydrophobicContact CD1-CE2 3.76Å; I415-F417 HydrophobicContact CD1-CZ 3.51Å; I415-F417 HydrophobicContact CG1-CD2 4.35Å; I415-F417 HydrophobicContact CG1-CE2 3.65Å; I415-F417 HydrophobicContact CG1-CZ 3.89Å; I415-F417 HydrophobicContact CG2-CE2 3.99Å; F417-V427 VanDerWaalsContact O-CG1 3.3Å; F417-V427 WeakPolarHBondContact O-CG1 3.45Å; F417-M428 HydrophobicContact CB-CB 4.25Å; F417-M428 HydrophobicContact CB-CE 4.03Å; F417-M428 PolarHBondContact N-O 2.83Å; F417-M428 PolarHBondContact O-N 2.82Å; F417-F443 HydrophobicContact CE2-CE2 4.18Å; F417-F443 HydrophobicContact CE2-CZ 4.11Å; F417-F443 HydrophobicContact CZ-CZ 4.24Å
418	T	94.4	Very high	91.2	Very high	23 Å²	23	58.1 Å²	58.1	14%	0.141	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	115.9	177	-50.5	0	0	0	0	108.7	Y334 R335 V427	Y334-T418 CarbonylContact C-O 3.6Å; Y334-T418 WeakPolarHBondContact CA-O 3.36Å; R335-T418 PolarHBondContact N-O 3.22Å; R335-T418 PolarHBondContact O-N 2.82Å; T418-V427 HydrophobicContact CG2-CG2 4.44Å
419	P	93.3	Very high	91.5	Very high	12 Å²	12	54.1 Å²	54.1	8%	0.078	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	142.1	178.8	28.1	-33.9	0	0	0	110.6	Y334 R422 R425	Y334-P419 HydrophobicContact CD1-CB 4.1Å; Y334-P419 HydrophobicContact CE1-CB 3.72Å; Y334-P419 HydrophobicContact CE1-CG 4.4Å; P419-R422 HydrophobicContact CB-CB 4.39Å; P419-R422 WeakPolarHBondContact CB-O 3.35Å; P419-R422 VanDerWaalsContact CG-O 3.24Å; P419-R422 WeakPolarHBondContact CG-O 3.41Å; P419-R425 HydrophobicContact CB-CB 4.23Å; P419-R425 HydrophobicContact CG-CB 3.87Å; P419-R425 WeakPolarHBondContact CG-O 3.49Å
420	L	92	Very high	91.7	Very high	33 Å²	33	50.6 Å²	50.6	17%	0.173	25%	0.245	C	C	.	.	S	Bend	trans	-97.8	-51.7	179.6	-62.5	-175.9	0	0	0	112.3	L286 S333 R335 L381	L286-L420 HydrophobicContact CB-CD1 4.23Å; L286-L420 HydrophobicContact CB-CD2 4.21Å; L286-L420 HydrophobicContact CD1-CD1 4.1Å; L286-L420 HydrophobicContact CD2-CD1 3.91Å; L286-L420 HydrophobicContact CG-CD1 4.29Å; S333-L420 PolarHBondContact O-N 3.46Å; R335-L420 HydrophobicContact CB-CD2 4.11Å; L381-L420 HydrophobicContact CD1-CD1 3.71Å
421	E	88.6	Confident	91.7	Very high	48 Å²	48	55.3 Å²	55.3	22%	0.224	27%	0.265	C	S	.	.	S	Bend	trans	-85.5	-14.1	-176.6	-58.5	78.9	-172.5	0	0	113.3	S333 P423	S333-E421 WeakPolarHBondContact CA-OE2 3.43Å; S333-E421 WeakPolarHBondContact CB-OE1 3.31Å; S333-E421 WeakPolarHBondContact CB-OE2 3.42Å; S333-E421 PolarHBondContact N-OE2 2.97Å; S333-E421 PolarHBondContact OG-OE1 3.49Å; E421-P423 WeakPolarHBondContact O-CD 3.42Å
422	R	86.1	Confident	91.6	Very high	90 Å²	90	55.5 Å²	55.5	34%	0.34	27%	0.272	S	S	.	.			trans	-124.6	72.3	-175.6	-65.1	-67.9	-165	177	-0.5	111.3	L332 D387 P419 D424 R425	L332-R422 HydrophobicContact CD1-CG 4.1Å; D387-R422 IonicContact OD2-CZ 3.66Å; D387-R422 IonicContact OD2-NE 3.65Å; D387-R422 PolarHBondContact OD2-NE 2.04Å; D387-R422 VanDerWaalsContact OD2-NE 3.17Å; D387-R422 IonicContact OD2-NH2 2.75Å; D387-R422 PolarHBondContact OD2-NH2 3.48Å; P419-R422 HydrophobicContact CB-CB 4.39Å; P419-R422 WeakPolarHBondContact CB-O 3.35Å; P419-R422 VanDerWaalsContact CG-O 3.24Å; P419-R422 WeakPolarHBondContact CG-O 3.41Å; R422-D424 VanDerWaalsContact CA-OD1 3.31Å; R422-D424 WeakPolarHBondContact CA-OD1 3.25Å; R422-D424 PolarHBondContact O-N 2.99Å; R422-R425 HydrophobicContact CB-CB 4.35Å; R422-R425 HydrophobicContact CB-CG 3.92Å; R422-R425 WeakPolarHBondContact O-CB 3.39Å; R422-R425 PolarHBondContact O-N 3.12Å
423	P	82	Confident	91.6	Very high	114 Å²	114	56 Å²	56	74%	0.74	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-16.4	-177.7	28.8	-35.8	0	0	0	113.2	E421 R425	E421-P423 WeakPolarHBondContact O-CD 3.42Å; P423-R425 PolarHBondContact O-N 3.42Å
424	D	87.2	Confident	91.5	Very high	122 Å²	122	58 Å²	58	65%	0.652	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-22.4	171.4	59	-64.1	0	0	0	113.1	R422	R422-D424 VanDerWaalsContact CA-OD1 3.31Å; R422-D424 WeakPolarHBondContact CA-OD1 3.25Å; R422-D424 PolarHBondContact O-N 2.99Å
425	R	88.7	Confident	91.4	Very high	31 Å²	31	52.5 Å²	52.5	12%	0.117	26%	0.264	C	S	.	.	S	Bend	trans	-77.7	140.4	178.9	-72.7	-177.5	177	175.6	1.5	111.4	L332 D387 L388 Q389 P419 R422 P423	L332-R425 VanDerWaalsContact CD2-NH1 3.34Å; D387-R425 IonicContact OD1-CZ 2.88Å; D387-R425 IonicContact OD1-NH1 3.35Å; D387-R425 PolarHBondContact OD1-NH1 2.88Å; D387-R425 IonicContact OD1-NH2 3.44Å; D387-R425 PolarHBondContact OD1-NH2 2.88Å; D387-R425 IonicContact OD2-NH2 3.73Å; L388-R425 PolarHBondContact O-NH2 3.05Å; Q389-R425 VanDerWaalsContact CD-NH2 3.26Å; P419-R425 HydrophobicContact CB-CB 4.23Å; P419-R425 HydrophobicContact CG-CB 3.87Å; P419-R425 WeakPolarHBondContact CG-O 3.49Å; R422-R425 HydrophobicContact CB-CB 4.35Å; R422-R425 HydrophobicContact CB-CG 3.92Å; R422-R425 WeakPolarHBondContact O-CB 3.39Å; R422-R425 PolarHBondContact O-N 3.12Å; P423-R425 PolarHBondContact O-N 3.42Å
426	P	89.3	Confident	91.3	Very high	85 Å²	85	56.3 Å²	56.3	55%	0.552	28%	0.282	S	S	*	.	P	Polyproline II helix	trans	-65.6	145.8	178.7	28.2	-34.7	0	0	0	111.1	M428	P426-M428 PolarHBondContact O-N 2.87Å
427	V	93.1	Very high	91	Very high	40 Å²	40	51.8 Å²	51.8	24%	0.242	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-69.3	128.9	168.6	-170.8	0	0	0	0	108.3	R416 F417 T418 P447 C448	R416-V427 HydrophobicContact CG-CG1 3.77Å; F417-V427 VanDerWaalsContact O-CG1 3.3Å; F417-V427 WeakPolarHBondContact O-CG1 3.45Å; T418-V427 HydrophobicContact CG2-CG2 4.44Å; V427-P447 WeakPolarHBondContact O-CA 3.14Å; V427-C448 HydrophobicContact CB-CB 4.39Å; V427-C448 HydrophobicContact CG1-CB 4.28Å; V427-C448 WeakPolarHBondContact CG1-SG 2.89Å; V427-C448 PolarHBondContact O-N 3.36Å
428	M	93.2	Very high	90.7	Very high	16 Å²	16	53.4 Å²	53.4	8%	0.079	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	135.2	-176.6	-57.9	173.9	-69.7	0	0	110.8	Y334 I394 R416 F417 P426 P445 L446	Y334-M428 HydrophobicContact CD1-CE 4.35Å; Y334-M428 HydrophobicContact CE1-CE 3.63Å; I394-M428 HydrophobicContact CD1-CE 4.17Å; I394-M428 HydrophobicContact CD1-SD 4.31Å; R416-M428 CarbonylContact C-O 3.57Å; R416-M428 WeakPolarHBondContact CA-O 3.35Å; F417-M428 HydrophobicContact CB-CB 4.25Å; F417-M428 HydrophobicContact CB-CE 4.03Å; F417-M428 PolarHBondContact N-O 2.83Å; F417-M428 PolarHBondContact O-N 2.82Å; P426-M428 PolarHBondContact O-N 2.87Å; M428-P445 HydrophobicContact CB-CB 3.8Å; M428-P445 HydrophobicContact CG-CB 3.82Å; M428-P445 HydrophobicContact SD-CB 3.43Å; M428-P445 WeakPolarHBondContact SD-CB 3.22Å; M428-P445 HydrophobicContact SD-CG 3.89Å; M428-L446 CarbonylContact C-O 3.52Å; M428-L446 VanDerWaalsContact CA-O 3.28Å; M428-L446 WeakPolarHBondContact CA-O 2.88Å
429	C	92.4	Very high	90.6	Very high	9 Å²	9	54.7 Å²	54.7	6%	0.061	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	152	178.8	-77.4	0	0	0	0	111.6	I415 F431 L446 C448	I415-C429 CarbonylContact O-C 3.43Å; I415-C429 VanDerWaalsContact O-CA 3.29Å; I415-C429 WeakPolarHBondContact O-CA 3.41Å; C429-F431 HydrophobicContact CB-CE2 4.14Å; C429-F431 HydrophobicContact CB-CZ 4.29Å; C429-L446 PolarHBondContact N-O 2.79Å; C429-L446 PolarHBondContact O-N 3.12Å; C429-C448 HydrophobicContact CB-CB 3.92Å; C429-C448 WeakPolarHBondContact CB-SG 3.05Å; C429-C448 PolarHBondContact N-SG 3.46Å; C429-C448 WeakPolarHBondContact SG-CB 3.36Å; C429-C448 CovalentContact SG-SG 2.02Å; C429-C448 PolarHBondContact SG-SG 2.95Å
430	R	93.3	Very high	90.6	Very high	89 Å²	89	58.1 Å²	58.1	34%	0.336	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	147.1	164.4	-172.8	66.9	-175	178.3	3.4	109.4	R414 I415 I433 F443	R414-R430 CarbonylContact C-O 3.56Å; R414-R430 WeakPolarHBondContact CA-O 3.41Å; I415-R430 HydrophobicContact CG2-CB 3.78Å; I415-R430 PolarHBondContact N-O 2.94Å; I415-R430 PolarHBondContact O-N 2.87Å; R430-I433 HydrophobicContact CB-CD1 4.07Å; R430-I433 HydrophobicContact CG-CD1 3.65Å; R430-I433 HydrophobicContact CG-CG1 3.7Å; R430-F443 HydrophobicContact CB-CD2 3.79Å; R430-F443 HydrophobicContact CB-CE2 3.85Å; R430-F443 HydrophobicContact CG-CB 4.26Å; R430-F443 HydrophobicContact CG-CD2 3.72Å; R430-F443 HydrophobicContact CG-CE2 4.21Å; R430-F443 HydrophobicContact CG-CG 3.99Å
431	F	92.2	Very high	90.8	Very high	101 Å²	101	58.3 Å²	58.3	44%	0.443	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	152.9	-178.8	-56.4	-87.6	0	0	0	110.3	L413 R414 C429	L413-F431 WeakPolarHBondContact O-CA 3.36Å; R414-F431 HydrophobicContact CB-CD1 4.07Å; R414-F431 HydrophobicContact CB-CE1 4.33Å; R414-F431 HydrophobicContact CG-CD1 3.84Å; R414-F431 HydrophobicContact CG-CE1 3.67Å; C429-F431 HydrophobicContact CB-CE2 4.14Å; C429-F431 HydrophobicContact CB-CZ 4.29Å
432	D	91.7	Very high	91.1	Very high	85 Å²	85	58.8 Å²	58.8	46%	0.455	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	45	65.3	173.9	-155.8	17.6	0	0	0	114.6	R411 L412 L413	R411-D432 IonicContact CZ-OD1 3.24Å; R411-D432 VanDerWaalsContact CZ-OD1 3.24Å; R411-D432 IonicContact CZ-OD2 3.95Å; R411-D432 IonicContact NE-OD1 2.72Å; R411-D432 PolarHBondContact NE-OD1 2.93Å; R411-D432 VanDerWaalsContact NH2-CG 3.26Å; R411-D432 IonicContact NH2-OD1 2.9Å; R411-D432 PolarHBondContact NH2-OD1 2.9Å; R411-D432 IonicContact NH2-OD2 2.93Å; R411-D432 PolarHBondContact NH2-OD2 2.72Å; L412-D432 CarbonylContact O-C 3.37Å; L412-D432 VanDerWaalsContact O-CA 3.31Å; L412-D432 WeakPolarHBondContact O-CA 3.49Å; L412-D432 PolarHBondContact O-N 2.93Å; L413-D432 PolarHBondContact O-N 2.87Å
433	I	92.8	Very high	91.5	Very high	10 Å²	10	55.3 Å²	55.3	5%	0.051	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	123.9	174	-52	170.6	0	0	0	108.1	R411 L412 I415 R430 M435 V441 F443	R411-I433 CarbonylContact C-O 3.6Å; R411-I433 WeakPolarHBondContact CA-O 3.29Å; L412-I433 HydrophobicContact CB-CB 4.22Å; L412-I433 HydrophobicContact CD1-CD1 4.47Å; L412-I433 PolarHBondContact N-O 3.44Å; L412-I433 PolarHBondContact O-N 2.8Å; I415-I433 HydrophobicContact CG2-CD1 3.79Å; R430-I433 HydrophobicContact CB-CD1 4.07Å; R430-I433 HydrophobicContact CG-CD1 3.65Å; R430-I433 HydrophobicContact CG-CG1 3.7Å; I433-M435 HydrophobicContact CG2-CE 3.83Å; I433-V441 HydrophobicContact CG2-CG1 4.04Å; I433-F443 HydrophobicContact CD1-CD1 3.88Å; I433-F443 HydrophobicContact CD1-CE1 3.7Å; I433-F443 HydrophobicContact CD1-CG 4.39Å; I433-F443 HydrophobicContact CD1-CZ 4.07Å
434	I	92.4	Very high	91.9	Very high	94 Å²	94	59.1 Å²	59.1	48%	0.482	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	123.3	168.7	-60.3	171.2	0	0	0	107.1	K409 R411	K409-I434 HydrophobicContact CB-CG2 4.33Å; K409-I434 HydrophobicContact CD-CG2 4.1Å; K409-I434 HydrophobicContact CG-CG2 4.42Å; R411-I434 HydrophobicContact CG-CG1 4.15Å
435	M	92.4	Very high	91.7	Very high	3 Å²	3	54.4 Å²	54.4	2%	0.015	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	148.5	178.1	58.8	-179.3	50.8	0	0	110.4	M396 I398 K409 I410 L412 I433 V441	M396-M435 HydrophobicContact CB-CE 4.14Å; M396-M435 HydrophobicContact CG-CE 4.16Å; M396-M435 HydrophobicContact SD-CE 4.07Å; I398-M435 HydrophobicContact CD1-SD 3.68Å; I398-M435 HydrophobicContact CG1-SD 3.87Å; K409-M435 CarbonylContact C-O 3.57Å; K409-M435 WeakPolarHBondContact CA-O 3.37Å; I410-M435 HydrophobicContact CB-CG 3.99Å; I410-M435 HydrophobicContact CG2-CG 4.37Å; I410-M435 PolarHBondContact N-O 2.91Å; I410-M435 PolarHBondContact O-N 2.9Å; L412-M435 HydrophobicContact CD1-CE 4.01Å; L412-M435 HydrophobicContact CD1-SD 4.44Å; I433-M435 HydrophobicContact CG2-CE 3.83Å; M435-V441 HydrophobicContact CB-CB 4.21Å; M435-V441 HydrophobicContact CB-CG2 3.44Å; M435-V441 VanDerWaalsContact CB-CG2 3.44Å; M435-V441 HydrophobicContact CE-CB 4.19Å
436	E	91.8	Very high	91.6	Very high	80 Å²	80	56.8 Å²	56.8	37%	0.374	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	139.8	167.9	-171	175.7	118.9	0	0	108.9	R407 T439	R407-E436 HydrophobicContact CB-CG 3.61Å; R407-E436 WeakPolarHBondContact CB-OE1 3.35Å; R407-E436 WeakPolarHBondContact CD-OE1 3.47Å; R407-E436 IonicContact NE-OE1 3.98Å; R407-E436 IonicContact NH1-OE1 3.42Å; R407-E436 PolarHBondContact NH1-OE1 3.31Å; E436-T439 WeakPolarHBondContact O-CB 3.49Å; E436-T439 PolarHBondContact O-N 2.7Å; E436-T439 VanDerWaalsContact O-N 3.12Å
437	E	88.6	Confident	91.6	Very high	1 Å²	1	57.5 Å²	57.5	1%	0.005	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54	146.2	175.9	68.5	-178.2	-178.8	0	0	111.3	T400 N402 R407 Y408 I410 T439	T400-E437 WeakPolarHBondContact CB-OE2 3.41Å; T400-E437 HydrophobicContact CG2-CB 4.01Å; T400-E437 WeakPolarHBondContact CG2-OE2 3.42Å; T400-E437 VanDerWaalsContact OG1-CD 3.24Å; T400-E437 PolarHBondContact OG1-OE2 2.82Å; N402-E437 PolarHBondContact ND2-OE1 3.13Å; R407-E437 WeakPolarHBondContact CA-OE1 3.29Å; R407-E437 HydrophobicContact CB-CG 3.96Å; R407-E437 HydrophobicContact CG-CG 4.22Å; Y408-E437 PolarHBondContact N-OE1 2.73Å; Y408-E437 PolarHBondContact O-N 2.93Å; I410-E437 HydrophobicContact CD1-CB 4.02Å; E437-T439 PolarHBondContact O-N 3.13Å; E437-T439 PolarHBondContact O-OG1 3.22Å
438	N	89.8	Confident	91.2	Very high	36 Å²	36	57.2 Å²	57.2	19%	0.193	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	62.3	2.8	-176.7	-47.4	-39.2	0	0	0	115.3	I398 N399 T400 N402	I398-N438 PolarHBondContact O-N 3.08Å; N399-N438 VanDerWaalsContact CA-OD1 3.22Å; N399-N438 WeakPolarHBondContact CA-OD1 3Å; N399-N438 PolarHBondContact OD1-OD1 2.96Å; T400-N438 PolarHBondContact N-OD1 3.42Å; N402-N438 PolarHBondContact O-ND2 3.33Å
439	T	91.9	Very high	90.3	Very high	49 Å²	49	61.7 Å²	61.7	30%	0.301	32%	0.317	S	S	.	.			trans	-103.9	140.1	178.6	-55.1	0	0	0	0	110.8	E436 E437	E436-T439 WeakPolarHBondContact O-CB 3.49Å; E436-T439 PolarHBondContact O-N 2.7Å; E436-T439 VanDerWaalsContact O-N 3.12Å; E437-T439 PolarHBondContact O-N 3.13Å; E437-T439 PolarHBondContact O-OG1 3.22Å
440	E	94.3	Very high	88.4	Confident	85 Å²	85	66.8 Å²	66.8	40%	0.397	35%	0.353	S	S	.	.			trans	-82.6	128.6	176.6	-175.4	172.5	-144.6	0	0	110.5	R353 S395 R397	R353-E440 WeakPolarHBondContact CD-OE1 3.28Å; R353-E440 IonicContact CZ-OE1 2.65Å; R353-E440 IonicContact NE-OE1 3.24Å; R353-E440 IonicContact NH1-OE1 2.91Å; R353-E440 PolarHBondContact NH1-OE1 3.22Å; R353-E440 IonicContact NH1-OE2 2.82Å; R353-E440 PolarHBondContact NH1-OE2 2.88Å; S395-E440 VanDerWaalsContact CB-OE1 3.24Å; S395-E440 WeakPolarHBondContact CB-OE1 3.41Å; S395-E440 PolarHBondContact OG-OE1 3.14Å; R397-E440 HydrophobicContact CB-CB 4.45Å
441	V	95.4	Very high	86.1	Confident	37 Å²	37	72.9 Å²	72.9	22%	0.224	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	128.2	173.5	175.2	0	0	0	0	109.3	S395 M396 I433 M435	S395-V441 CarbonylContact C-O 3.25Å; S395-V441 VanDerWaalsContact CA-O 3.29Å; S395-V441 WeakPolarHBondContact CA-O 3.42Å; M396-V441 PolarHBondContact N-O 3.31Å; M396-V441 PolarHBondContact O-N 3.46Å; I433-V441 HydrophobicContact CG2-CG1 4.04Å; M435-V441 HydrophobicContact CB-CB 4.21Å; M435-V441 HydrophobicContact CB-CG2 3.44Å; M435-V441 VanDerWaalsContact CB-CG2 3.44Å; M435-V441 HydrophobicContact CE-CB 4.19Å
442	A	95	Very high	83.6	Confident	58 Å²	58	77.8 Å²	77.8	48%	0.479	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	143	177.5	0	0	0	0	0	111.7	K393 I394	K393-A442 HydrophobicContact CD-CB 3.95Å; K393-A442 HydrophobicContact CG-CB 4.08Å; I394-A442 CarbonylContact O-C 3.53Å; I394-A442 VanDerWaalsContact O-CA 3.32Å; I394-A442 WeakPolarHBondContact O-CA 3.23Å
443	F	93.4	Very high	83.2	Confident	16 Å²	16	77.5 Å²	77.5	7%	0.07	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	156.3	176.1	53.5	-89.4	0	0	0	110.5	I394 M396 I415 F417 R430 I433	I394-F443 HydrophobicContact CB-CD2 4.27Å; I394-F443 HydrophobicContact CB-CE2 3.76Å; I394-F443 HydrophobicContact CB-CZ 3.89Å; I394-F443 HydrophobicContact CD1-CE2 4.29Å; I394-F443 HydrophobicContact CG1-CE2 4.5Å; I394-F443 HydrophobicContact CG2-CE1 4.25Å; I394-F443 HydrophobicContact CG2-CE2 3.99Å; I394-F443 HydrophobicContact CG2-CZ 3.62Å; I394-F443 PolarHBondContact N-O 3.06Å; I394-F443 PolarHBondContact O-N 3.28Å; I394-F443 VanDerWaalsContact O-O 3.12Å; M396-F443 HydrophobicContact CB-CE1 4.23Å; I415-F443 HydrophobicContact CG2-CZ 4.36Å; F417-F443 HydrophobicContact CE2-CE2 4.18Å; F417-F443 HydrophobicContact CE2-CZ 4.11Å; F417-F443 HydrophobicContact CZ-CZ 4.24Å; R430-F443 HydrophobicContact CB-CD2 3.79Å; R430-F443 HydrophobicContact CB-CE2 3.85Å; R430-F443 HydrophobicContact CG-CB 4.26Å; R430-F443 HydrophobicContact CG-CD2 3.72Å; R430-F443 HydrophobicContact CG-CE2 4.21Å; R430-F443 HydrophobicContact CG-CG 3.99Å; I433-F443 HydrophobicContact CD1-CD1 3.88Å; I433-F443 HydrophobicContact CD1-CE1 3.7Å; I433-F443 HydrophobicContact CD1-CG 4.39Å; I433-F443 HydrophobicContact CD1-CZ 4.07Å
444	R	90.3	Very high	82.7	Confident	194 Å²	194	81 Å²	81	73%	0.732	42%	0.422	S	S	*	.			trans	-79.8	129.3	170.5	-69.2	-176.3	-178.1	171.4	0.9	108.8	L446	R444-L446 PolarHBondContact O-N 3.26Å
445	P	83.2	Confident	82.1	Confident	23 Å²	23	80.3 Å²	80.3	15%	0.149	42%	0.418	C	S	.	.			trans	-65.3	133.8	170.3	26.4	-30.2	0	0	0	109.3	V391 I394 M428	V391-P445 HydrophobicContact CG1-CG 4.37Å; I394-P445 HydrophobicContact CD1-CB 3.86Å; I394-P445 HydrophobicContact CD1-CG 4.33Å; I394-P445 HydrophobicContact CG1-CB 4.27Å; I394-P445 HydrophobicContact CG1-CG 4.24Å; M428-P445 HydrophobicContact CB-CB 3.8Å; M428-P445 HydrophobicContact CG-CB 3.82Å; M428-P445 HydrophobicContact SD-CB 3.43Å; M428-P445 WeakPolarHBondContact SD-CB 3.22Å; M428-P445 HydrophobicContact SD-CG 3.89Å
446	L	88.3	Confident	81.5	Confident	82 Å²	82	84.8 Å²	84.8	43%	0.429	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	144.4	172.7	-60.1	174.6	0	0	0	108.4	M428 C429 R444 C448	M428-L446 CarbonylContact C-O 3.52Å; M428-L446 VanDerWaalsContact CA-O 3.28Å; M428-L446 WeakPolarHBondContact CA-O 2.88Å; C429-L446 PolarHBondContact N-O 2.79Å; C429-L446 PolarHBondContact O-N 3.12Å; R444-L446 PolarHBondContact O-N 3.26Å; L446-C448 PolarHBondContact O-N 2.89Å
447	P	88.3	Confident	80.9	Confident	100 Å²	100	85.1 Å²	85.1	65%	0.649	45%	0.446	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-53.3	135.2	166.8	-23.6	34	0	0	0	110	V427 D449	V427-P447 WeakPolarHBondContact O-CA 3.14Å; P447-D449 PolarHBondContact O-N 3.22Å; P447-D449 VanDerWaalsContact O-N 3.08Å
448	C	85.2	Confident	80.4	Confident	33 Å²	33	90.7 Å²	90.7	22%	0.223	48%	0.476	C	S	.	.			trans	-67.8	107.6	171.2	-57.9	0	0	0	0	108.3	V427 C429 L446	V427-C448 HydrophobicContact CB-CB 4.39Å; V427-C448 HydrophobicContact CG1-CB 4.28Å; V427-C448 WeakPolarHBondContact CG1-SG 2.89Å; V427-C448 PolarHBondContact O-N 3.36Å; C429-C448 HydrophobicContact CB-CB 3.92Å; C429-C448 WeakPolarHBondContact CB-SG 3.05Å; C429-C448 PolarHBondContact N-SG 3.46Å; C429-C448 WeakPolarHBondContact SG-CB 3.36Å; C429-C448 CovalentContact SG-SG 2.02Å; C429-C448 PolarHBondContact SG-SG 2.95Å; L446-C448 PolarHBondContact O-N 2.89Å
449	D	73.4	Confident	79.7	Confident	110 Å²	110	94.6 Å²	94.6	59%	0.588	50%	0.496	S	S	*	.			trans	-63.7	137.2	174.8	-155	-17	0	0	0	109.6	P447 R451	P447-D449 PolarHBondContact O-N 3.22Å; P447-D449 VanDerWaalsContact O-N 3.08Å; D449-R451 PolarHBondContact O-N 2.72Å
450	S	53.6	Low	78.7	Confident	116 Å²	116	98.2 Å²	98.2	81%	0.811	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.8	1.4	180	55.6	0	0	0	0	112.9
451	R	44.2	Very low	77.5	Confident	218 Å²	218	99.3 Å²	99.3	82%	0.823	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125	27.9	-169.9	-63.4	-172.1	-177.9	-175.1	1.4	115.7	D449	D449-R451 PolarHBondContact O-N 2.72Å
452	L	39.1	Very low	75.8	Confident	204 Å²	204	104.9 Å²	104.9	100%	1.068	55%	0.548	S	S	*	.			trans	-119.3	0	170.2	-83.3	164.4	0	0	0	112.2

Retrieved 452 of 452 residues in 436.3 ms (Link to these results)

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