A0A096MTB1_PAPAN Loading...

Dihydroxyacetone phosphate acyltransferase

Dihydroxyacetonephosphate acyltransferase catalyzing the first step in the biosynthesis of plasmalogens, a subset of phospholipids that differ from other glycerolipids by having an alkyl chain attached through a vinyl ether linkage at the sn-1 position of the glycerol backbone, and which unique physical properties have an impact on various aspects of cell signaling and membrane biology.

AlphaFold DB , UniProt , Accession A0A096MTB1, Species PAPAN (Papio anubis, Olive baboon), Gene GNPAT, Length 680 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	M	36.7	Very low	26.9	Very low	238 Å²	238	150.2 Å²	150.2	100%	1.172	83%	0.828	S	S	*	*				0	66.8	0	-67.9	-178	172.9	0	0	106.7
2	E	26.5	Very low	26.6	Very low	191 Å²	191	147.3 Å²	147.3	89%	0.893	83%	0.827	S	S	*	*			cis	51.2	96.7	44.7	-77.1	-167.1	172.9	0	0	114.8
3	S	25.2	Very low	26.5	Very low	120 Å²	120	145.5 Å²	145.5	84%	0.839	82%	0.821	S	S	*	*				-152.4	125	128	42.2	0	0	0	0	108.8
4	P	33.7	Very low	26.4	Very low	122 Å²	122	138.6 Å²	138.6	79%	0.792	80%	0.798	S	S	*	*			trans	-97.5	158	-172.8	35.7	-30	0	0	0	113.2
5	S	28.6	Very low	26.5	Very low	113 Å²	113	137.7 Å²	137.7	79%	0.79	80%	0.799	S	S	*	*			trans	-51.9	124.2	167.1	51.5	0	0	0	0	113.1	S7	S5-S7 PolarHBondContact O-N 2.82Å
6	S	25.7	Very low	27	Very low	112 Å²	112	138.2 Å²	138.2	78%	0.783	81%	0.805	S	S	*	*			trans	-85.7	101.6	166.8	57.3	0	0	0	0	110.3	N8	S6-N8 PolarHBondContact O-N 3.18Å
7	S	25.2	Very low	26.8	Very low	105 Å²	105	133.6 Å²	133.6	73%	0.734	78%	0.783	S	S	*	*			trans	-59	118	160.4	49.5	0	0	0	0	110.2	S5 S9	S5-S7 PolarHBondContact O-N 2.82Å; S7-S9 PolarHBondContact O-N 3.4Å
8	N	24	Very low	26.9	Very low	156 Å²	156	132.5 Å²	132.5	83%	0.834	78%	0.78	S	S	*	*			trans	-70	96.2	165.6	-87.4	-15.9	0	0	0	108.6	S6 Y10	S6-N8 PolarHBondContact O-N 3.18Å; N8-Y10 PolarHBondContact O-N 3.28Å
9	S	23.4	Very low	26.8	Very low	81 Å²	81	129.8 Å²	129.8	57%	0.566	77%	0.769	S	S	*	*			trans	-63.8	119.7	168.7	52.3	0	0	0	0	109.5	S7 F11	S7-S9 PolarHBondContact O-N 3.4Å; S9-F11 PolarHBondContact O-N 2.87Å; S9-F11 VanDerWaalsContact O-N 3.09Å
10	Y	23.9	Very low	26.8	Very low	233 Å²	233	125.6 Å²	125.6	91%	0.914	75%	0.749	S	S	*	*			trans	-55.5	108.7	164	-80.7	-96	0	0	0	109.5	N8 S12	N8-Y10 PolarHBondContact O-N 3.28Å; Y10-S12 PolarHBondContact O-N 2.82Å
11	F	22.6	Very low	27	Very low	181 Å²	181	122.7 Å²	122.7	79%	0.794	73%	0.732	S	S	*	*			trans	-78	111.7	167	-90.2	-86.9	0	0	0	109	S9 V13	S9-F11 PolarHBondContact O-N 2.87Å; S9-F11 VanDerWaalsContact O-N 3.09Å; F11-V13 PolarHBondContact O-N 2.89Å
12	S	23.2	Very low	26.6	Very low	116 Å²	116	116.6 Å²	116.6	81%	0.811	71%	0.708	S	S	*	*			trans	-70.1	107	162.9	66.5	0	0	0	0	108.2	Y10 G14	Y10-S12 PolarHBondContact O-N 2.82Å; S12-G14 PolarHBondContact O-N 2.97Å
13	V	25.7	Very low	26.6	Very low	123 Å²	123	114.6 Å²	114.6	75%	0.745	70%	0.703	S	S	*	*			trans	-80.8	105.2	172.2	-177.7	0	0	0	0	107.7	F11	F11-V13 PolarHBondContact O-N 2.89Å
14	G	25.1	Very low	27	Very low	49 Å²	49	115.5 Å²	115.5	51%	0.505	70%	0.697	S	S	.	*			trans	-67	155.3	167.3	0	0	0	0	0	111.2	S12 T16	S12-G14 PolarHBondContact O-N 2.97Å; G14-T16 PolarHBondContact O-N 3.38Å; G14-T16 VanDerWaalsContact O-N 3.08Å
15	P	28.3	Very low	27.1	Very low	125 Å²	125	112.1 Å²	112.1	81%	0.812	67%	0.669	S	S	*	*	S	Bend	trans	-80.7	97.7	-177.1	32.2	-28.3	0	0	0	108.4
16	T	34	Very low	27.2	Very low	146 Å²	146	110.7 Å²	110.7	90%	0.896	66%	0.659	S	S	*	*			trans	155.8	89.7	153.5	42.6	0	0	0	0	109.5	G14	G14-T16 PolarHBondContact O-N 3.38Å; G14-T16 VanDerWaalsContact O-N 3.08Å
17	S	23.8	Very low	27.9	Very low	61 Å²	61	110.8 Å²	110.8	43%	0.427	65%	0.645	S	S	.	*			trans	-138.8	135.5	153.8	88.5	0	0	0	0	110	S19 A20	S17-S19 PolarHBondContact O-N 2.8Å; S17-A20 PolarHBondContact O-N 3.4Å
18	P	28	Very low	28.3	Very low	113 Å²	113	113.7 Å²	113.7	73%	0.734	65%	0.647	S	S	*	*	H	α-helix	trans	-59.2	-24.2	177.4	-22.5	32.4	0	0	0	113.5	A20 V21	P18-A20 VanDerWaalsContact C-N 3.34Å; P18-A20 PolarHBondContact O-N 3Å; P18-V21 PolarHBondContact O-N 3.37Å
19	S	24.8	Very low	28.9	Very low	82 Å²	82	112.9 Å²	112.9	57%	0.573	64%	0.642	S	S	*	*	H	α-helix	trans	-73.7	-21.8	179.9	-55.9	0	0	0	0	113.6	S17 V21 V22 L23	S17-S19 PolarHBondContact O-N 2.8Å; S19-V21 VanDerWaalsContact C-N 3.32Å; S19-V22 PolarHBondContact O-N 3.08Å; S19-L23 PolarHBondContact O-N 3.44Å
20	A	28	Very low	30.1	Very low	45 Å²	45	113.3 Å²	113.3	37%	0.372	63%	0.634	S	S	.	*	H	α-helix	trans	-73	-25.7	174.6	0	0	0	0	0	112.5	S17 P18 L24	S17-A20 PolarHBondContact O-N 3.4Å; P18-A20 VanDerWaalsContact C-N 3.34Å; P18-A20 PolarHBondContact O-N 3Å; A20-L24 PolarHBondContact O-N 3.28Å
21	V	30.4	Very low	31.3	Very low	65 Å²	65	111.3 Å²	111.3	39%	0.394	63%	0.63	S	S	.	*	H	α-helix	trans	-71.7	-40.1	174.8	-177.4	0	0	0	0	110	P18 S19 L23 L24 Y25	P18-V21 PolarHBondContact O-N 3.37Å; S19-V21 VanDerWaalsContact C-N 3.32Å; V21-L23 VanDerWaalsContact C-N 3.32Å; V21-L23 PolarHBondContact O-N 2.89Å; V21-L24 PolarHBondContact O-N 2.85Å; V21-Y25 HydrophobicContact CG1-CD2 4.21Å; V21-Y25 HydrophobicContact CG1-CE2 4.43Å; V21-Y25 VanDerWaalsContact O-CD2 3.31Å; V21-Y25 WeakPolarHBondContact O-CD2 3.31Å; V21-Y25 PolarHBondContact O-N 2.99Å
22	V	27.4	Very low	33.2	Very low	110 Å²	110	106.7 Å²	106.7	67%	0.667	61%	0.607	S	S	*	*	H	α-helix	trans	-65.5	-34.7	177.9	-179.2	0	0	0	0	112.1	S19 Y25 S26	S19-V22 PolarHBondContact O-N 3.08Å; V22-Y25 PolarHBondContact O-N 3.38Å; V22-S26 PolarHBondContact O-N 3.24Å
23	L	27.2	Very low	35.2	Very low	149 Å²	149	102.1 Å²	102.1	78%	0.78	57%	0.574	S	S	*	*	H	α-helix	trans	-75.7	-20.6	179.6	-104.1	143.6	0	0	0	114.5	S19 V21	S19-L23 PolarHBondContact O-N 3.44Å; V21-L23 VanDerWaalsContact C-N 3.32Å; V21-L23 PolarHBondContact O-N 2.89Å
24	L	33.3	Very low	37.9	Very low	138 Å²	138	103.5 Å²	103.5	72%	0.723	57%	0.572	S	S	*	*	H	α-helix	trans	-84.5	-18.5	173.8	-84.6	160.7	0	0	0	113.3	A20 V21	A20-L24 PolarHBondContact O-N 3.28Å; V21-L24 PolarHBondContact O-N 2.85Å
25	Y	37.4	Very low	41.1	Very low	52 Å²	52	103.6 Å²	103.6	20%	0.204	56%	0.559	C	S	.	*	S	Bend	trans	-120	15.8	-174.4	-67.6	-80	0	0	0	113.9	V21 V22 K27 E538 Y541	V21-Y25 HydrophobicContact CG1-CD2 4.21Å; V21-Y25 HydrophobicContact CG1-CE2 4.43Å; V21-Y25 VanDerWaalsContact O-CD2 3.31Å; V21-Y25 WeakPolarHBondContact O-CD2 3.31Å; V21-Y25 PolarHBondContact O-N 2.99Å; V22-Y25 PolarHBondContact O-N 3.38Å; Y25-K27 PolarHBondContact O-N 3.36Å; Y25-E538 HydrophobicContact CE1-CB 4.19Å; Y25-E538 HydrophobicContact CE1-CG 4.23Å; Y25-Y541 PolarHBondContact O-OH 3.43Å; Y25-Y541 VanDerWaalsContact O-OH 3.09Å
26	S	29.6	Very low	44.2	Very low	82 Å²	82	100.5 Å²	100.5	57%	0.573	53%	0.534	S	S	*	.			trans	-71.7	69.1	157.7	174.1	0	0	0	0	109.3	V22 E28	V22-S26 PolarHBondContact O-N 3.24Å; S26-E28 PolarHBondContact O-N 3.28Å
27	K	40.3	Very low	47.1	Very low	114 Å²	114	95 Å²	95	50%	0.496	50%	0.498	S	S	.	.			trans	-69.6	86.8	157.9	-91.2	-173.3	174.1	-177.9	0	105.9	Y25 L29 E379	Y25-K27 PolarHBondContact O-N 3.36Å; K27-L29 PolarHBondContact O-N 2.89Å; K27-E379 IonicContact NZ-OE1 3.32Å
28	E	33.6	Very low	50.6	Low	166 Å²	166	92.1 Å²	92.1	78%	0.776	48%	0.478	S	S	*	.			trans	-49.7	132.6	153.1	-73.3	-172	160.2	0	0	106.2	S26 K30	S26-E28 PolarHBondContact O-N 3.28Å; E28-K30 PolarHBondContact O-N 3.16Å
29	L	37.3	Very low	53.8	Low	139 Å²	139	86.7 Å²	86.7	73%	0.728	44%	0.443	S	S	*	.			trans	-52	108.9	174.4	-82.8	150.4	0	0	0	106.6	K27 K31	K27-L29 PolarHBondContact O-N 2.89Å; L29-K31 PolarHBondContact O-N 3.39Å
30	K	47.4	Very low	57.1	Low	91 Å²	91	87 Å²	87	40%	0.396	44%	0.436	S	S	.	.			trans	-51.7	122	173.7	-85.7	177.8	172	169.4	0	105.9	E28 W32 E379	E28-K30 PolarHBondContact O-N 3.16Å; K30-W32 VanDerWaalsContact C-N 3.31Å; K30-W32 PolarHBondContact O-N 3Å; K30-E379 IonicContact NZ-OE1 2.89Å; K30-E379 PolarHBondContact NZ-OE1 3.47Å
31	K	50	Low	60	Low	191 Å²	191	89.5 Å²	89.5	83%	0.83	44%	0.44	S	S	*	.			trans	-63.6	105.2	164.7	-172	-175.6	-176.4	-165.7	0	104.6	L29 D33	L29-K31 PolarHBondContact O-N 3.39Å; K31-D33 PolarHBondContact O-N 3.39Å
32	W	61.5	Low	62.9	Low	83 Å²	83	87.3 Å²	87.3	31%	0.314	42%	0.424	S	S	.	.	P	Polyproline II helix	trans	-62	137.3	-174.9	-62.3	103.2	0	0	0	109.9	K30 F422	K30-W32 VanDerWaalsContact C-N 3.31Å; K30-W32 PolarHBondContact O-N 3Å; W32-F422 HydrophobicContact CB-CD2 4.47Å; W32-F422 HydrophobicContact CB-CE2 3.58Å; W32-F422 HydrophobicContact CB-CZ 3.6Å; W32-F422 HydrophobicContact CD2-CB 4.47Å; W32-F422 HydrophobicContact CD2-CD1 4.12Å; W32-F422 AromaticContact CD2-CD2 3.32Å; W32-F422 HydrophobicContact CD2-CD2 3.32Å; W32-F422 HydrophobicContact CD2-CE1 4.12Å; W32-F422 AromaticContact CD2-CE2 3.35Å; W32-F422 HydrophobicContact CD2-CE2 3.35Å; W32-F422 AromaticContact CD2-CG 3.72Å; W32-F422 HydrophobicContact CD2-CG 3.72Å; W32-F422 AromaticContact CD2-CZ 3.74Å; W32-F422 HydrophobicContact CD2-CZ 3.74Å; W32-F422 AromaticContact CE2-CD2 3.6Å; W32-F422 HydrophobicContact CE3-CB 4.02Å; W32-F422 AromaticContact CE3-CD1 3.32Å; W32-F422 HydrophobicContact CE3-CD1 3.32Å; W32-F422 AromaticContact CE3-CD2 3.44Å; W32-F422 HydrophobicContact CE3-CD2 3.44Å; W32-F422 VanDerWaalsContact CE3-CD2 3.44Å; W32-F422 AromaticContact CE3-CE1 3.42Å; W32-F422 HydrophobicContact CE3-CE1 3.42Å; W32-F422 VanDerWaalsContact CE3-CE1 3.42Å; W32-F422 AromaticContact CE3-CE2 3.57Å; W32-F422 HydrophobicContact CE3-CE2 3.57Å; W32-F422 AromaticContact CE3-CG 3.31Å; W32-F422 HydrophobicContact CE3-CG 3.31Å; W32-F422 AromaticContact CE3-CZ 3.53Å; W32-F422 HydrophobicContact CE3-CZ 3.53Å; W32-F422 AromaticContact CG-CD2 3.81Å; W32-F422 HydrophobicContact CG-CD2 3.81Å; W32-F422 AromaticContact CG-CE2 3.37Å; W32-F422 HydrophobicContact CG-CE2 3.37Å; W32-F422 AromaticContact CG-CZ 3.8Å; W32-F422 HydrophobicContact CG-CZ 3.8Å; W32-F422 HydrophobicContact CH2-CB 3.33Å; W32-F422 HydrophobicContact CH2-CD1 4.18Å; W32-F422 HydrophobicContact CH2-CD2 4.08Å; W32-F422 AromaticContact CH2-CG 3.63Å; W32-F422 HydrophobicContact CH2-CG 3.63Å; W32-F422 HydrophobicContact CZ2-CB 3.82Å; W32-F422 AromaticContact CZ2-CD2 3.97Å; W32-F422 HydrophobicContact CZ2-CD2 3.97Å; W32-F422 AromaticContact CZ2-CG 3.99Å; W32-F422 HydrophobicContact CZ2-CG 3.99Å; W32-F422 HydrophobicContact CZ3-CB 3.43Å; W32-F422 VanDerWaalsContact CZ3-CB 3.43Å; W32-F422 AromaticContact CZ3-CD1 3.36Å; W32-F422 HydrophobicContact CZ3-CD1 3.36Å; W32-F422 AromaticContact CZ3-CD2 3.82Å; W32-F422 HydrophobicContact CZ3-CD2 3.82Å; W32-F422 AromaticContact CZ3-CE1 3.96Å; W32-F422 HydrophobicContact CZ3-CE1 3.96Å; W32-F422 HydrophobicContact CZ3-CE2 4.38Å; W32-F422 AromaticContact CZ3-CG 3.26Å; W32-F422 HydrophobicContact CZ3-CG 3.26Å; W32-F422 HydrophobicContact CZ3-CZ 4.41Å
33	D	66.8	Low	66.1	Low	20 Å²	20	86 Å²	86	11%	0.107	41%	0.407	C	S	.	.	P	Polyproline II helix	trans	-57.6	143.9	-179.9	-55.9	-2	0	0	0	110.5	K31 N140 E142 Y327	K31-D33 PolarHBondContact O-N 3.39Å; D33-N140 HydrophobicContact CB-CB 3.82Å; D33-N140 PolarHBondContact OD2-ND2 2.61Å; D33-E142 HydrophobicContact CB-CB 4.45Å; D33-Y327 HydrophobicContact CB-CE2 4.25Å; D33-Y327 PolarHBondContact OD1-OH 3Å; D33-Y327 WeakPolarHBondContact OD2-CE2 3.46Å; D33-Y327 PolarHBondContact OD2-OH 3.29Å
34	E	82	Confident	69.2	Low	153 Å²	153	85.6 Å²	85.6	72%	0.715	40%	0.401	S	S	*	.	P	Polyproline II helix	trans	-66.8	136.1	169.6	-69.1	-179.5	-178.7	0	0	109.7	E141	E34-E141 PolarHBondContact O-N 3.36Å
35	F	91.1	Very high	71.9	Confident	50 Å²	50	80.8 Å²	80.8	22%	0.219	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	130.2	177.6	-84.9	-85.2	0	0	0	110.6	C138 V139 N140 H325 Y327 V382 F422 I424	F35-C138 HydrophobicContact CB-CB 4.06Å; F35-C138 HydrophobicContact CD1-CB 3.7Å; F35-C138 HydrophobicContact CE1-CB 4.46Å; F35-C138 HydrophobicContact CG-CB 4.15Å; F35-V139 WeakPolarHBondContact CA-O 3.49Å; F35-V139 VanDerWaalsContact CD1-C 3.42Å; F35-N140 HydrophobicContact CD1-CB 4.35Å; F35-N140 HydrophobicContact CE1-CB 4.11Å; F35-N140 HydrophobicContact CZ-CB 4.37Å; F35-H325 HydrophobicContact CE1-CB 4.35Å; F35-Y327 HydrophobicContact CE2-CD2 4.49Å; F35-Y327 AromaticContact CZ-CD2 3.85Å; F35-Y327 HydrophobicContact CZ-CD2 3.85Å; F35-V382 HydrophobicContact CE2-CG2 4.26Å; F35-V382 HydrophobicContact CZ-CG2 3.7Å; F35-F422 HydrophobicContact CD2-CZ 4.38Å; F35-F422 AromaticContact CE2-CE1 3.56Å; F35-F422 HydrophobicContact CE2-CE1 3.56Å; F35-F422 AromaticContact CE2-CZ 3.51Å; F35-F422 HydrophobicContact CE2-CZ 3.51Å; F35-F422 AromaticContact CZ-CE1 3.96Å; F35-F422 HydrophobicContact CZ-CE1 3.96Å; F35-F422 HydrophobicContact CZ-CZ 4.36Å; F35-I424 HydrophobicContact CD2-CD1 4.08Å; F35-I424 HydrophobicContact CE2-CD1 3.95Å
36	E	94.4	Very high	74.7	Confident	61 Å²	61	81.7 Å²	81.7	29%	0.285	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	126.5	171.4	-173.7	-176.1	175.5	0	0	110	I38 C138 V139 E141 Y178	E36-I38 PolarHBondContact O-N 3.47Å; E36-C138 CarbonylContact O-C 3.49Å; E36-C138 VanDerWaalsContact O-CA 3.27Å; E36-C138 WeakPolarHBondContact O-CA 3.43Å; E36-V139 PolarHBondContact N-O 3.46Å; E36-V139 PolarHBondContact O-N 3.42Å; E36-E141 HydrophobicContact CB-CG 3.87Å; E36-Y178 PolarHBondContact OE2-OH 3.09Å; E36-Y178 VanDerWaalsContact OE2-OH 3.05Å
37	D	95.4	Very high	77.8	Confident	29 Å²	29	78.9 Å²	78.9	16%	0.155	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	97.6	166	178.3	19.7	0	0	0	109.9	L39 E40 R43 K136 V137	D37-L39 PolarHBondContact O-N 3.4Å; D37-L39 VanDerWaalsContact O-N 3.13Å; D37-L39 WeakPolarHBondContact OD1-CB 3.11Å; D37-L39 PolarHBondContact OD1-N 3.09Å; D37-E40 HydrophobicContact CB-CB 4.38Å; D37-E40 PolarHBondContact O-N 3.18Å; D37-E40 VanDerWaalsContact O-N 3.11Å; D37-R43 IonicContact OD2-CZ 2.74Å; D37-R43 IonicContact OD2-NH1 2.65Å; D37-R43 PolarHBondContact OD2-NH1 3.23Å; D37-R43 IonicContact OD2-NH2 3.34Å; D37-K136 HydrophobicContact CB-CB 4.37Å; D37-K136 WeakPolarHBondContact OD1-CA 3.37Å; D37-V137 WeakPolarHBondContact CA-O 3.23Å; D37-V137 PolarHBondContact OD1-N 3.35Å
38	I	95.9	Very high	80.5	Confident	1 Å²	1	78.4 Å²	78.4	1%	0.005	37%	0.372	C	S	.	.	H	α-helix	trans	-66.2	-17.4	-178.4	68.3	170.2	0	0	0	112.5	E36 R42 V137 V139 F173 I174 Y178	E36-I38 PolarHBondContact O-N 3.47Å; I38-R42 VanDerWaalsContact O-CG 3.23Å; I38-R42 WeakPolarHBondContact O-CG 3.18Å; I38-V137 HydrophobicContact CD1-CB 4.33Å; I38-V137 HydrophobicContact CD1-CG1 3.85Å; I38-V137 HydrophobicContact CG1-CB 3.85Å; I38-V137 HydrophobicContact CG1-CG1 3.86Å; I38-V137 WeakPolarHBondContact CG1-O 3.36Å; I38-V137 PolarHBondContact N-O 3.33Å; I38-V139 HydrophobicContact CD1-CG2 4.28Å; I38-V139 HydrophobicContact CG2-CB 4.35Å; I38-V139 HydrophobicContact CG2-CG2 3.97Å; I38-F173 HydrophobicContact CD1-CD1 4.07Å; I38-F173 HydrophobicContact CD1-CE1 3.72Å; I38-I174 HydrophobicContact CD1-CG1 3.94Å; I38-Y178 HydrophobicContact CG2-CE2 3.98Å; I38-Y178 VanDerWaalsContact CG2-OH 3.26Å; I38-Y178 WeakPolarHBondContact CG2-OH 3.37Å
39	L	95.4	Very high	83.4	Confident	0 Å²	0	77.9 Å²	77.9	0%	0	37%	0.368	C	S	.	.	H	α-helix	trans	-77.8	-23.4	176.9	-65.7	-171.7	0	0	0	112.7	D37 R42 R43 F130 K131 F134 V137 F173	D37-L39 PolarHBondContact O-N 3.4Å; D37-L39 VanDerWaalsContact O-N 3.13Å; D37-L39 WeakPolarHBondContact OD1-CB 3.11Å; D37-L39 PolarHBondContact OD1-N 3.09Å; L39-R42 CarbonylContact O-C 3.56Å; L39-R42 WeakPolarHBondContact O-CA 3.31Å; L39-R42 WeakPolarHBondContact O-CB 3.42Å; L39-R42 PolarHBondContact O-N 2.8Å; L39-R43 WeakPolarHBondContact O-CG 3.48Å; L39-R43 PolarHBondContact O-N 3.4Å; L39-F130 HydrophobicContact CD1-CB 4.17Å; L39-F130 HydrophobicContact CD2-CB 3.92Å; L39-K131 HydrophobicContact CD2-CG 4.3Å; L39-F134 HydrophobicContact CD1-CB 4.23Å; L39-V137 HydrophobicContact CD1-CB 4.33Å; L39-V137 HydrophobicContact CD1-CG2 3.66Å; L39-V137 HydrophobicContact CD2-CG2 4.22Å; L39-V137 HydrophobicContact CG-CB 3.93Å; L39-V137 HydrophobicContact CG-CG2 3.73Å; L39-F173 HydrophobicContact CD2-CE1 4.42Å; L39-F173 HydrophobicContact CD2-CZ 4.49Å
40	E	94.2	Very high	86.2	Confident	88 Å²	88	71.6 Å²	71.6	41%	0.411	33%	0.334	S	S	.	.	H	α-helix	trans	-62.2	-50.1	-175.1	-174.4	53.7	-152	0	0	111	D37 R42 R43 H44	D37-E40 HydrophobicContact CB-CB 4.38Å; D37-E40 PolarHBondContact O-N 3.18Å; D37-E40 VanDerWaalsContact O-N 3.11Å; E40-R42 PolarHBondContact O-N 3.49Å; E40-R43 WeakPolarHBondContact O-CB 3.46Å; E40-R43 PolarHBondContact O-N 3.48Å; E40-R43 VanDerWaalsContact O-N 3.13Å; E40-R43 IonicContact OE2-CZ 2.8Å; E40-R43 IonicContact OE2-NH1 2.84Å; E40-R43 PolarHBondContact OE2-NH1 3.29Å; E40-H44 PolarHBondContact O-CD2 2.86Å; E40-H44 IonicContact OE1-CD2 3.55Å; E40-H44 IonicContact OE1-CE1 2.78Å; E40-H44 IonicContact OE1-NE2 2.95Å; E40-H44 PolarHBondContact OE1-NE2 3.37Å
41	E	89.7	Confident	88.5	Confident	97 Å²	97	67.3 Å²	67.3	45%	0.453	32%	0.316	S	S	.	.	H	α-helix	trans	-60.1	-36	173.5	-158.2	-155.5	145.6	0	0	111.8	R43 H44 V45	E41-R43 VanDerWaalsContact C-N 3.27Å; E41-R43 PolarHBondContact O-N 3.38Å; E41-H44 PolarHBondContact O-N 3.08Å; E41-H44 VanDerWaalsContact O-N 3.16Å; E41-V45 HydrophobicContact CG-CG2 4.43Å; E41-V45 WeakPolarHBondContact O-CG2 3.34Å; E41-V45 PolarHBondContact O-N 3.35Å
42	R	91.9	Very high	90.7	Very high	19 Å²	19	63.4 Å²	63.4	7%	0.072	30%	0.302	C	S	.	.	H	α-helix	trans	-70	-20.9	-179.9	-58.1	-61.4	113.4	-143.7	3.6	113.2	I38 L39 E40 H44 V45 K131 N177	I38-R42 VanDerWaalsContact O-CG 3.23Å; I38-R42 WeakPolarHBondContact O-CG 3.18Å; L39-R42 CarbonylContact O-C 3.56Å; L39-R42 WeakPolarHBondContact O-CA 3.31Å; L39-R42 WeakPolarHBondContact O-CB 3.42Å; L39-R42 PolarHBondContact O-N 2.8Å; E40-R42 PolarHBondContact O-N 3.49Å; R42-H44 VanDerWaalsContact C-N 3.3Å; R42-V45 VanDerWaalsContact O-O 3.12Å; R42-K131 HydrophobicContact CB-CD 4.02Å; R42-K131 WeakPolarHBondContact O-CD 3.39Å; R42-K131 PolarHBondContact O-NZ 3.04Å; R42-N177 PolarHBondContact NE-OD1 3.11Å
43	R	93.1	Very high	92.3	Very high	83 Å²	83	61.4 Å²	61.4	31%	0.313	30%	0.295	S	S	.	.	H	α-helix	trans	-71.3	-29.7	173.3	-70.4	171.4	-170.6	110.6	11.3	111.5	D37 L39 E40 E41 K131 S135	D37-R43 IonicContact OD2-CZ 2.74Å; D37-R43 IonicContact OD2-NH1 2.65Å; D37-R43 PolarHBondContact OD2-NH1 3.23Å; D37-R43 IonicContact OD2-NH2 3.34Å; L39-R43 WeakPolarHBondContact O-CG 3.48Å; L39-R43 PolarHBondContact O-N 3.4Å; E40-R43 WeakPolarHBondContact O-CB 3.46Å; E40-R43 PolarHBondContact O-N 3.48Å; E40-R43 VanDerWaalsContact O-N 3.13Å; E40-R43 IonicContact OE2-CZ 2.8Å; E40-R43 IonicContact OE2-NH1 2.84Å; E40-R43 PolarHBondContact OE2-NH1 3.29Å; E41-R43 VanDerWaalsContact C-N 3.27Å; E41-R43 PolarHBondContact O-N 3.38Å; R43-K131 HydrophobicContact CG-CD 3.97Å; R43-K131 HydrophobicContact CG-CG 4.29Å; R43-S135 PolarHBondContact NH2-O 2.77Å
44	H	92.4	Very high	93.5	Very high	141 Å²	141	65.5 Å²	65.5	65%	0.653	32%	0.324	S	S	*	.	H	α-helix	trans	-95.7	-10.5	-178	-56	-61.9	0	0	0	113.9	E40 E41 R42	E40-H44 PolarHBondContact O-CD2 2.86Å; E40-H44 IonicContact OE1-CD2 3.55Å; E40-H44 IonicContact OE1-CE1 2.78Å; E40-H44 IonicContact OE1-NE2 2.95Å; E40-H44 PolarHBondContact OE1-NE2 3.37Å; E41-H44 PolarHBondContact O-N 3.08Å; E41-H44 VanDerWaalsContact O-N 3.16Å; R42-H44 VanDerWaalsContact C-N 3.3Å
45	V	91.1	Very high	94	Very high	36 Å²	36	59.8 Å²	59.8	22%	0.218	30%	0.297	C	S	.	.	S	Bend	trans	-113.3	142.2	-178.9	-179.8	0	0	0	0	111.5	E41 R42 D47 K49	E41-V45 HydrophobicContact CG-CG2 4.43Å; E41-V45 WeakPolarHBondContact O-CG2 3.34Å; E41-V45 PolarHBondContact O-N 3.35Å; R42-V45 VanDerWaalsContact O-O 3.12Å; V45-D47 PolarHBondContact O-N 3.05Å; V45-K49 HydrophobicContact CG1-CB 4.38Å; V45-K49 HydrophobicContact CG1-CD 4.29Å
46	S	95	Very high	93.8	Very high	72 Å²	72	62.8 Å²	62.8	50%	0.503	32%	0.319	S	S	.	.			trans	-58	127.9	173	174.6	0	0	0	0	111.7	L48 K49 F50	S46-L48 PolarHBondContact O-N 3.05Å; S46-L48 PolarHBondContact OG-N 3.45Å; S46-K49 WeakPolarHBondContact O-CB 3.44Å; S46-K49 PolarHBondContact O-N 3.13Å; S46-F50 PolarHBondContact O-N 3.03Å
47	D	95.7	Very high	93.4	Very high	23 Å²	23	61.4 Å²	61.4	12%	0.123	32%	0.316	C	S	.	.	H	α-helix	trans	-56.3	-34.6	175.5	-62.2	-55.8	0	0	0	112.1	V45 A51 F124 S127 K128 K131	V45-D47 PolarHBondContact O-N 3.05Å; D47-A51 VanDerWaalsContact O-CB 3.25Å; D47-A51 WeakPolarHBondContact O-CB 3.28Å; D47-A51 PolarHBondContact O-N 2.89Å; D47-F124 HydrophobicContact CB-CD2 3.71Å; D47-F124 HydrophobicContact CB-CE2 3.85Å; D47-S127 WeakPolarHBondContact OD1-CB 3.4Å; D47-S127 PolarHBondContact OD1-OG 2.85Å; D47-K128 HydrophobicContact CB-CG 4.27Å; D47-K128 WeakPolarHBondContact OD2-CG 3.49Å; D47-K131 VanDerWaalsContact CG-NZ 3.28Å; D47-K131 WeakPolarHBondContact OD1-CE 3.42Å; D47-K131 IonicContact OD1-NZ 3.51Å; D47-K131 PolarHBondContact OD1-NZ 3.25Å; D47-K131 IonicContact OD2-NZ 2.56Å; D47-K131 PolarHBondContact OD2-NZ 3.4Å
48	L	95.8	Very high	92.7	Very high	103 Å²	103	65 Å²	65	54%	0.539	34%	0.335	S	S	.	.	H	α-helix	trans	-69.6	-40.5	177.3	-176.8	64	0	0	0	111.2	S46 A51 M52 F124	S46-L48 PolarHBondContact O-N 3.05Å; S46-L48 PolarHBondContact OG-N 3.45Å; L48-A51 PolarHBondContact O-N 2.94Å; L48-M52 HydrophobicContact CD1-CG 3.86Å; L48-M52 HydrophobicContact CG-CG 4.35Å; L48-M52 VanDerWaalsContact O-CB 3.26Å; L48-M52 WeakPolarHBondContact O-CB 3.49Å; L48-M52 VanDerWaalsContact O-CG 3.28Å; L48-M52 WeakPolarHBondContact O-CG 3.39Å; L48-M52 PolarHBondContact O-N 3.42Å; L48-F124 HydrophobicContact CB-CD2 4.45Å; L48-F124 HydrophobicContact CB-CE2 4.2Å
49	K	95.1	Very high	91.9	Very high	156 Å²	156	67.4 Å²	67.4	68%	0.678	35%	0.349	S	S	*	.	H	α-helix	trans	-64.1	-42.9	176.1	-175	179.9	176.5	-173.9	0	110.9	V45 S46 M52 K53	V45-K49 HydrophobicContact CG1-CB 4.38Å; V45-K49 HydrophobicContact CG1-CD 4.29Å; S46-K49 WeakPolarHBondContact O-CB 3.44Å; S46-K49 PolarHBondContact O-N 3.13Å; K49-M52 PolarHBondContact O-N 3.34Å; K49-K53 PolarHBondContact O-N 3.09Å; K49-K53 VanDerWaalsContact O-N 3.17Å
50	F	95.6	Very high	91.1	Very high	6 Å²	6	70.2 Å²	70.2	3%	0.026	36%	0.36	C	S	.	.	H	α-helix	trans	-59.2	-52.9	173.2	169.6	-110.6	0	0	0	111.5	S46 M52 K53 A123 F173 Y176 N177	S46-F50 PolarHBondContact O-N 3.03Å; F50-M52 VanDerWaalsContact C-N 3.27Å; F50-M52 PolarHBondContact O-N 3.34Å; F50-K53 WeakPolarHBondContact O-CB 3.32Å; F50-K53 VanDerWaalsContact O-CG 3.28Å; F50-K53 WeakPolarHBondContact O-CG 3.25Å; F50-K53 PolarHBondContact O-N 2.94Å; F50-A123 HydrophobicContact CD1-CB 4.41Å; F50-A123 HydrophobicContact CE1-CB 3.88Å; F50-F173 AromaticContact CE1-CE2 3.79Å; F50-F173 HydrophobicContact CE1-CE2 3.79Å; F50-F173 HydrophobicContact CE1-CZ 4.38Å; F50-F173 HydrophobicContact CZ-CE2 4.07Å; F50-F173 HydrophobicContact CZ-CZ 4.4Å; F50-Y176 HydrophobicContact CE1-CD1 4.19Å; F50-Y176 HydrophobicContact CE1-CE1 4.34Å; F50-Y176 HydrophobicContact CE2-CD1 4.29Å; F50-Y176 HydrophobicContact CE2-CE1 4.47Å; F50-Y176 AromaticContact CZ-CD1 3.78Å; F50-Y176 HydrophobicContact CZ-CD1 3.78Å; F50-Y176 HydrophobicContact CZ-CE1 4.19Å; F50-N177 HydrophobicContact CE2-CB 4.34Å; F50-N177 HydrophobicContact CZ-CB 4.38Å
51	A	96.8	Very high	89.9	Confident	2 Å²	2	74.3 Å²	74.3	2%	0.017	38%	0.376	C	S	.	.	H	α-helix	trans	-63.2	-32.7	-179.4	0	0	0	0	0	112.8	D47 L48 R120 A123 F124 Y176	D47-A51 VanDerWaalsContact O-CB 3.25Å; D47-A51 WeakPolarHBondContact O-CB 3.28Å; D47-A51 PolarHBondContact O-N 2.89Å; L48-A51 PolarHBondContact O-N 2.94Å; A51-R120 WeakPolarHBondContact CB-O 3.43Å; A51-R120 WeakPolarHBondContact O-CB 3.44Å; A51-R120 WeakPolarHBondContact O-CD 3.44Å; A51-R120 WeakPolarHBondContact O-CG 3.42Å; A51-R120 PolarHBondContact O-NE 3.43Å; A51-A123 HydrophobicContact CB-CB 4.38Å; A51-F124 HydrophobicContact CB-CB 3.66Å; A51-F124 HydrophobicContact CB-CD2 4.48Å; A51-Y176 PolarHBondContact O-OH 2.69Å
52	M	96.1	Very high	88.7	Confident	108 Å²	108	73.6 Å²	73.6	53%	0.532	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.8	12.8	-178.2	-62.6	-63.4	-72.2	0	0	113.6	L48 K49 F50	L48-M52 HydrophobicContact CD1-CG 3.86Å; L48-M52 HydrophobicContact CG-CG 4.35Å; L48-M52 VanDerWaalsContact O-CB 3.26Å; L48-M52 WeakPolarHBondContact O-CB 3.49Å; L48-M52 VanDerWaalsContact O-CG 3.28Å; L48-M52 WeakPolarHBondContact O-CG 3.39Å; L48-M52 PolarHBondContact O-N 3.42Å; K49-M52 PolarHBondContact O-N 3.34Å; F50-M52 VanDerWaalsContact C-N 3.27Å; F50-M52 PolarHBondContact O-N 3.34Å
53	K	94.3	Very high	87.7	Confident	41 Å²	41	74.6 Å²	74.6	18%	0.178	40%	0.402	C	S	.	.	S	Bend	trans	-57.4	156.9	178.1	74.6	176.6	178.7	160.8	0	112.3	K49 F50 Y55 R120 Y176 N177 D179	K49-K53 PolarHBondContact O-N 3.09Å; K49-K53 VanDerWaalsContact O-N 3.17Å; F50-K53 WeakPolarHBondContact O-CB 3.32Å; F50-K53 VanDerWaalsContact O-CG 3.28Å; F50-K53 WeakPolarHBondContact O-CG 3.25Å; F50-K53 PolarHBondContact O-N 2.94Å; K53-Y55 PolarHBondContact O-N 3.46Å; K53-R120 PolarHBondContact O-NH2 3.5Å; K53-Y176 WeakPolarHBondContact CE-O 3.32Å; K53-Y176 HydrophobicContact CG-CE1 4.37Å; K53-Y176 PolarHBondContact NZ-O 2.94Å; K53-N177 PolarHBondContact NZ-O 3.33Å; K53-D179 WeakPolarHBondContact CE-OD1 3.29Å; K53-D179 IonicContact NZ-OD1 2.99Å; K53-D179 PolarHBondContact NZ-OD1 3.48Å; K53-D179 IonicContact NZ-OD2 3.06Å; K53-D179 PolarHBondContact NZ-OD2 2.95Å
54	C	93.3	Very high	86.4	Confident	106 Å²	106	76.4 Å²	76.4	72%	0.716	42%	0.422	S	S	*	.			trans	-66.2	125.2	169.7	-164.5	0	0	0	0	107.8
55	Y	92.3	Very high	85.3	Confident	33 Å²	33	75 Å²	75	13%	0.129	43%	0.425	C	S	.	.			trans	-132	98.8	-172.9	176.5	-105	0	0	0	108.3	K53 P57 L116 Y176 L180 P181 V182	K53-Y55 PolarHBondContact O-N 3.46Å; Y55-P57 HydrophobicContact CD1-CG 4.49Å; Y55-P57 HydrophobicContact CE1-CG 3.86Å; Y55-P57 HydrophobicContact CE2-CB 4.21Å; Y55-P57 HydrophobicContact CE2-CG 4.08Å; Y55-L116 HydrophobicContact CD1-CD1 3.6Å; Y55-L116 HydrophobicContact CE1-CD1 4.2Å; Y55-L116 HydrophobicContact CG-CD1 4.38Å; Y55-Y176 HydrophobicContact CD1-CE2 4.24Å; Y55-Y176 AromaticContact CD2-CD2 3.83Å; Y55-Y176 HydrophobicContact CD2-CD2 3.83Å; Y55-Y176 AromaticContact CD2-CE2 3.73Å; Y55-Y176 HydrophobicContact CD2-CE2 3.73Å; Y55-Y176 AromaticContact CE2-CD2 3.76Å; Y55-Y176 HydrophobicContact CE2-CD2 3.76Å; Y55-Y176 HydrophobicContact CE2-CE2 4.12Å; Y55-Y176 HydrophobicContact CG-CD2 4.27Å; Y55-Y176 AromaticContact CG-CE2 3.78Å; Y55-Y176 HydrophobicContact CG-CE2 3.78Å; Y55-L180 WeakPolarHBondContact CE2-O 3.5Å; Y55-L180 PolarHBondContact OH-O 3.43Å; Y55-P181 WeakPolarHBondContact OH-CA 3.43Å; Y55-V182 PolarHBondContact OH-N 3.33Å
56	T	87.4	Confident	84.6	Confident	113 Å²	113	74.5 Å²	74.5	69%	0.693	42%	0.423	S	S	*	.			trans	-133.1	69.5	180	54.5	0	0	0	0	108.5
57	P	86	Confident	84.1	Confident	33 Å²	33	77.9 Å²	77.9	21%	0.214	43%	0.429	C	S	.	.			trans	-65.8	144.6	-173.7	31.5	-38.9	0	0	0	110.7	Y55 D179 P181	Y55-P57 HydrophobicContact CD1-CG 4.49Å; Y55-P57 HydrophobicContact CE1-CG 3.86Å; Y55-P57 HydrophobicContact CE2-CB 4.21Å; Y55-P57 HydrophobicContact CE2-CG 4.08Å; P57-D179 WeakPolarHBondContact CA-O 3.46Å; P57-D179 VanDerWaalsContact CB-O 3.29Å; P57-D179 WeakPolarHBondContact CB-O 3.26Å; P57-P181 HydrophobicContact CB-CB 4.32Å; P57-P181 HydrophobicContact CB-CG 3.82Å; P57-P181 HydrophobicContact CG-CB 4.36Å; P57-P181 HydrophobicContact CG-CG 4.26Å
58	L	80.1	Confident	83.7	Confident	105 Å²	105	78.1 Å²	78.1	55%	0.55	43%	0.432	S	S	.	.			trans	-72.3	133.6	172.2	-64.3	174.5	0	0	0	109.4	Q152 P181	L58-Q152 HydrophobicContact CB-CG 4.19Å; L58-P181 VanDerWaalsContact O-CG 3.27Å; L58-P181 WeakPolarHBondContact O-CG 3.25Å
59	V	79.3	Confident	83.4	Confident	51 Å²	51	77 Å²	77	31%	0.309	43%	0.429	S	S	.	.			trans	-110.1	171.2	179	-62.9	0	0	0	0	110.6	K61 P181	V59-K61 PolarHBondContact O-N 3.09Å; V59-P181 HydrophobicContact CG1-CG 4.25Å
60	Y	78.6	Confident	83.2	Confident	58 Å²	58	72.6 Å²	72.6	23%	0.227	41%	0.413	C	S	.	.	S	Bend	trans	-53.6	131.9	178.7	164	-138.7	0	0	0	111.6	G62 I63 I151 E153 P155	Y60-G62 PolarHBondContact O-N 3.37Å; Y60-I63 HydrophobicContact CD1-CD1 3.08Å; Y60-I63 HydrophobicContact CD1-CG1 4.02Å; Y60-I63 HydrophobicContact CE1-CD1 3.83Å; Y60-I63 HydrophobicContact CE1-CG1 4.36Å; Y60-I63 HydrophobicContact CG-CD1 3.6Å; Y60-I151 WeakPolarHBondContact CA-O 3.44Å; Y60-I151 VanDerWaalsContact CB-O 3.31Å; Y60-I151 WeakPolarHBondContact CB-O 3.48Å; Y60-I151 PolarHBondContact N-O 2.96Å; Y60-E153 VanDerWaalsContact CD2-C 3.41Å; Y60-E153 WeakPolarHBondContact CD2-O 3.19Å; Y60-E153 WeakPolarHBondContact CE2-O 3.49Å; Y60-P155 HydrophobicContact CD1-CG 4.15Å; Y60-P155 HydrophobicContact CE1-CG 4.23Å
61	K	68.6	Low	83	Confident	174 Å²	174	72.3 Å²	72.3	76%	0.757	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	132.1	-174	-173.8	176.7	-178.7	177.8	0	112.3	V59 Q152	V59-K61 PolarHBondContact O-N 3.09Å; K61-Q152 VanDerWaalsContact CB-O 3.28Å; K61-Q152 WeakPolarHBondContact CB-O 3.44Å; K61-Q152 PolarHBondContact N-O 3.23Å
62	G	65.4	Low	82.8	Confident	83 Å²	83	73.9 Å²	73.9	86%	0.856	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.7	10.4	174.2	0	0	0	0	0	115	Y60	Y60-G62 PolarHBondContact O-N 3.37Å
63	I	69.9	Low	82.7	Confident	39 Å²	39	72.4 Å²	72.4	20%	0.2	42%	0.418	C	S	.	.	P	Polyproline II helix	trans	-96.6	141.2	177.7	-71.7	158.8	0	0	0	112.2	Y60 N233	Y60-I63 HydrophobicContact CD1-CD1 3.08Å; Y60-I63 HydrophobicContact CD1-CG1 4.02Å; Y60-I63 HydrophobicContact CE1-CD1 3.83Å; Y60-I63 HydrophobicContact CE1-CG1 4.36Å; Y60-I63 HydrophobicContact CG-CD1 3.6Å; I63-N233 WeakPolarHBondContact CD1-O 3.25Å; I63-N233 WeakPolarHBondContact CG1-O 3.31Å; I63-N233 WeakPolarHBondContact CG2-O 3.31Å
64	T	65.4	Low	82.6	Confident	121 Å²	121	72.6 Å²	72.6	74%	0.742	43%	0.425	S	S	*	.	P	Polyproline II helix	trans	-81.9	122.9	161.6	-50.6	0	0	0	0	109	C66	T64-C66 PolarHBondContact O-N 3.17Å
65	P	69	Low	82.7	Confident	111 Å²	111	67.6 Å²	67.6	72%	0.721	39%	0.39	S	S	*	.	P	Polyproline II helix	trans	-49.5	130.2	176.5	-28.2	34.8	0	0	0	111.8
66	C	77.9	Confident	82.8	Confident	26 Å²	26	69.2 Å²	69.2	18%	0.176	40%	0.401	C	S	.	.			trans	-114.6	131.3	-172.6	-179.6	0	0	0	0	109	T64 D70	T64-C66 PolarHBondContact O-N 3.17Å; C66-D70 VanDerWaalsContact SG-CB 3.51Å
67	K	84.6	Confident	83.1	Confident	143 Å²	143	67.5 Å²	67.5	62%	0.622	39%	0.394	S	S	*	.			trans	-79.2	155.1	173.7	-63.8	176.9	-178.5	172.1	0	109.6	T69 D70 I71	K67-T69 PolarHBondContact O-N 3.47Å; K67-D70 WeakPolarHBondContact CB-OD2 3.35Å; K67-D70 PolarHBondContact N-OD2 2.84Å; K67-D70 WeakPolarHBondContact O-CB 3.33Å; K67-D70 PolarHBondContact O-N 3.11Å; K67-I71 PolarHBondContact O-N 3.39Å
68	P	86.7	Confident	83.6	Confident	28 Å²	28	66.6 Å²	66.6	18%	0.182	39%	0.388	C	S	.	.	H	α-helix	trans	-54	-30.9	175	-28.5	35.4	0	0	0	114.2	K72 L114	P68-K72 PolarHBondContact O-N 2.82Å; P68-L114 HydrophobicContact CG-CB 4.12Å
69	T	89.3	Confident	84.3	Confident	79 Å²	79	67.8 Å²	67.8	49%	0.485	39%	0.391	S	S	.	.	H	α-helix	trans	-66.3	-36.2	174.9	47.5	0	0	0	0	112.9	K67 I71 K72 C73	K67-T69 PolarHBondContact O-N 3.47Å; T69-I71 VanDerWaalsContact C-N 3.27Å; T69-I71 PolarHBondContact O-N 2.87Å; T69-K72 WeakPolarHBondContact O-CB 3.49Å; T69-K72 PolarHBondContact O-N 3.19Å; T69-K72 VanDerWaalsContact O-N 3.17Å; T69-C73 PolarHBondContact O-N 2.82Å; T69-C73 PolarHBondContact O-SG 3.17Å; T69-C73 VanDerWaalsContact O-SG 3.39Å
70	D	90.8	Very high	85	Confident	65 Å²	65	65.9 Å²	65.9	35%	0.348	38%	0.379	S	S	.	.	H	α-helix	trans	-70.1	-30.8	-176.9	-51.8	-22.8	0	0	0	110.2	C66 K67 C73 S74	C66-D70 VanDerWaalsContact SG-CB 3.51Å; K67-D70 WeakPolarHBondContact CB-OD2 3.35Å; K67-D70 PolarHBondContact N-OD2 2.84Å; K67-D70 WeakPolarHBondContact O-CB 3.33Å; K67-D70 PolarHBondContact O-N 3.11Å; D70-C73 PolarHBondContact O-N 3.35Å; D70-S74 WeakPolarHBondContact O-CB 3.46Å; D70-S74 PolarHBondContact O-N 3.38Å; D70-S74 PolarHBondContact O-OG 2.91Å
71	I	91.3	Very high	85.8	Confident	0 Å²	0	63.1 Å²	63.1	0%	0	37%	0.368	C	S	.	.	H	α-helix	trans	-63.4	-46.3	171.7	-58.1	169.8	0	0	0	110.3	K67 T69 C73 S74 V75 Y226 T229 M230 Y235	K67-I71 PolarHBondContact O-N 3.39Å; T69-I71 VanDerWaalsContact C-N 3.27Å; T69-I71 PolarHBondContact O-N 2.87Å; I71-C73 PolarHBondContact O-N 3.43Å; I71-S74 WeakPolarHBondContact O-CB 3.35Å; I71-S74 PolarHBondContact O-N 2.88Å; I71-V75 WeakPolarHBondContact O-CG2 3.49Å; I71-V75 PolarHBondContact O-N 3.49Å; I71-Y226 HydrophobicContact CG2-CD2 3.91Å; I71-Y226 HydrophobicContact CG2-CE2 3.61Å; I71-T229 HydrophobicContact CG2-CG2 3.96Å; I71-M230 HydrophobicContact CD1-CG 4.38Å; I71-M230 HydrophobicContact CG2-CG 4.32Å; I71-Y235 HydrophobicContact CD1-CD1 4.09Å; I71-Y235 HydrophobicContact CD1-CE1 3.36Å; I71-Y235 HydrophobicContact CG1-CE1 4.5Å
72	K	92.8	Very high	87.1	Confident	34 Å²	34	57.6 Å²	57.6	15%	0.148	35%	0.345	C	S	.	.	H	α-helix	trans	-59.7	-48.3	176.7	-66.8	-176.1	172.2	-167.5	0	111.5	P68 T69 S74 V75 L76 D108 S111	P68-K72 PolarHBondContact O-N 2.82Å; T69-K72 WeakPolarHBondContact O-CB 3.49Å; T69-K72 PolarHBondContact O-N 3.19Å; T69-K72 VanDerWaalsContact O-N 3.17Å; K72-S74 VanDerWaalsContact C-N 3.28Å; K72-S74 PolarHBondContact O-N 3.28Å; K72-V75 PolarHBondContact O-N 3.32Å; K72-L76 WeakPolarHBondContact O-CG 3.41Å; K72-L76 PolarHBondContact O-N 3.1Å; K72-D108 IonicContact NZ-OD1 2.72Å; K72-D108 PolarHBondContact NZ-OD1 2.84Å; K72-S111 VanDerWaalsContact CE-CB 3.47Å; K72-S111 WeakPolarHBondContact CE-OG 3.39Å; K72-S111 PolarHBondContact NZ-OG 3.1Å; K72-S111 VanDerWaalsContact NZ-OG 3.13Å
73	C	93.1	Very high	88.5	Confident	78 Å²	78	57.5 Å²	57.5	53%	0.527	32%	0.319	S	S	.	.	H	α-helix	trans	-59.2	-41.5	177.5	-66.3	0	0	0	0	111.4	T69 D70 I71 V75 L76 S77	T69-C73 PolarHBondContact O-N 2.82Å; T69-C73 PolarHBondContact O-SG 3.17Å; T69-C73 VanDerWaalsContact O-SG 3.39Å; D70-C73 PolarHBondContact O-N 3.35Å; I71-C73 PolarHBondContact O-N 3.43Å; C73-V75 PolarHBondContact O-N 3.44Å; C73-L76 PolarHBondContact O-N 2.93Å; C73-S77 WeakPolarHBondContact O-CB 3.38Å; C73-S77 PolarHBondContact O-N 3.23Å; C73-S77 PolarHBondContact O-OG 3.47Å; C73-S77 VanDerWaalsContact O-OG 3.1Å
74	S	93.4	Very high	89.7	Confident	45 Å²	45	56.2 Å²	56.2	32%	0.315	31%	0.313	S	S	.	.	H	α-helix	trans	-59.8	-45.8	176.6	-60	0	0	0	0	111.7	D70 I71 K72 S77 S78	D70-S74 WeakPolarHBondContact O-CB 3.46Å; D70-S74 PolarHBondContact O-N 3.38Å; D70-S74 PolarHBondContact O-OG 2.91Å; I71-S74 WeakPolarHBondContact O-CB 3.35Å; I71-S74 PolarHBondContact O-N 2.88Å; K72-S74 VanDerWaalsContact C-N 3.28Å; K72-S74 PolarHBondContact O-N 3.28Å; S74-S77 WeakPolarHBondContact CA-OG 3.42Å; S74-S77 CarbonylContact O-C 3.53Å; S74-S77 PolarHBondContact O-N 3.06Å; S74-S77 PolarHBondContact O-OG 2.82Å; S74-S78 PolarHBondContact O-N 3.38Å
75	V	94.9	Very high	91.1	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-65.6	-45	177.7	178.4	0	0	0	0	111.7	I71 K72 C73 S77 S78 I81 L107 E225 Y226 T229	I71-V75 WeakPolarHBondContact O-CG2 3.49Å; I71-V75 PolarHBondContact O-N 3.49Å; K72-V75 PolarHBondContact O-N 3.32Å; C73-V75 PolarHBondContact O-N 3.44Å; V75-S77 PolarHBondContact O-N 3.46Å; V75-S78 WeakPolarHBondContact O-CB 3.45Å; V75-S78 PolarHBondContact O-N 3.33Å; V75-I81 HydrophobicContact CG1-CG1 4.08Å; V75-L107 HydrophobicContact CB-CD1 4.25Å; V75-L107 HydrophobicContact CB-CD2 4.32Å; V75-L107 HydrophobicContact CG1-CD1 4.13Å; V75-L107 HydrophobicContact CG1-CD2 4.04Å; V75-E225 HydrophobicContact CG1-CB 4.24Å; V75-E225 HydrophobicContact CG1-CG 3.98Å; V75-E225 HydrophobicContact CG2-CG 4.35Å; V75-Y226 HydrophobicContact CG2-CD2 4.16Å; V75-T229 HydrophobicContact CG2-CG2 4.4Å
76	L	94.7	Very high	92.3	Very high	67 Å²	67	51.9 Å²	51.9	35%	0.351	27%	0.273	S	S	.	.	H	α-helix	trans	-59.9	-34.4	176.5	-74.1	168	0	0	0	112.2	K72 C73 S78 V103 L107	K72-L76 WeakPolarHBondContact O-CG 3.41Å; K72-L76 PolarHBondContact O-N 3.1Å; C73-L76 PolarHBondContact O-N 2.93Å; L76-S78 VanDerWaalsContact C-N 3.35Å; L76-V103 HydrophobicContact CD2-CB 4.47Å; L76-V103 HydrophobicContact CD2-CG1 3.71Å; L76-L107 HydrophobicContact CD1-CD1 4.42Å; L76-L107 HydrophobicContact CD2-CD1 3.9Å; L76-L107 HydrophobicContact CG-CD1 3.72Å
77	S	94.1	Very high	93.1	Very high	77 Å²	77	54.1 Å²	54.1	54%	0.538	28%	0.281	S	S	.	.	H	α-helix	trans	-83.7	-7.1	177.2	70	0	0	0	0	114.3	C73 S74 V75 H82	C73-S77 WeakPolarHBondContact O-CB 3.38Å; C73-S77 PolarHBondContact O-N 3.23Å; C73-S77 PolarHBondContact O-OG 3.47Å; C73-S77 VanDerWaalsContact O-OG 3.1Å; S74-S77 WeakPolarHBondContact CA-OG 3.42Å; S74-S77 CarbonylContact O-C 3.53Å; S74-S77 PolarHBondContact O-N 3.06Å; S74-S77 PolarHBondContact O-OG 2.82Å; V75-S77 PolarHBondContact O-N 3.46Å; S77-H82 PolarHBondContact O-ND1 2.97Å
78	S	95.3	Very high	93.5	Very high	14 Å²	14	48.4 Å²	48.4	10%	0.098	26%	0.257	C	S	.	.			trans	-62.6	136.5	-172.7	176.6	0	0	0	0	112.3	S74 V75 L76 E80 I81 H82 E225	S74-S78 PolarHBondContact O-N 3.38Å; V75-S78 WeakPolarHBondContact O-CB 3.45Å; V75-S78 PolarHBondContact O-N 3.33Å; L76-S78 VanDerWaalsContact C-N 3.35Å; S78-E80 PolarHBondContact O-N 3.22Å; S78-E80 PolarHBondContact OG-N 3.09Å; S78-I81 PolarHBondContact O-N 3.48Å; S78-H82 PolarHBondContact O-N 2.96Å; S78-H82 PolarHBondContact O-ND1 2.9Å; S78-E225 VanDerWaalsContact CB-OE1 3.25Å; S78-E225 WeakPolarHBondContact CB-OE1 3.49Å; S78-E225 VanDerWaalsContact OG-CD 3.25Å; S78-E225 PolarHBondContact OG-OE1 3.49Å
79	E	94.6	Very high	93.8	Very high	130 Å²	130	48.3 Å²	48.3	61%	0.607	26%	0.257	S	S	*	.	H	α-helix	trans	-62	-33.1	173.9	-64.8	-174.9	161.2	0	0	111.9	H82 Y83 Y353	E79-H82 PolarHBondContact O-N 3.38Å; E79-Y83 WeakPolarHBondContact O-CB 3.37Å; E79-Y83 PolarHBondContact O-N 3.01Å; E79-Y353 VanDerWaalsContact CB-CB 3.45Å; E79-Y353 HydrophobicContact CB-CD1 4.18Å; E79-Y353 HydrophobicContact CB-CD2 4.49Å; E79-Y353 HydrophobicContact CB-CG 3.83Å; E79-Y353 WeakPolarHBondContact OE2-CD1 3.38Å
80	E	93.8	Very high	94	Very high	11 Å²	11	52.9 Å²	52.9	5%	0.051	27%	0.27	C	S	.	.	H	α-helix	trans	-66	-44.8	179.3	-175.3	171.9	136.2	0	0	110.5	S78 Y83 V84 K228 K269 Y353 P355	S78-E80 PolarHBondContact O-N 3.22Å; S78-E80 PolarHBondContact OG-N 3.09Å; E80-Y83 WeakPolarHBondContact O-CB 3.44Å; E80-Y83 PolarHBondContact O-N 2.94Å; E80-V84 WeakPolarHBondContact O-CG2 3.37Å; E80-V84 PolarHBondContact O-N 2.85Å; E80-K228 IonicContact OE1-NZ 2.63Å; E80-K228 PolarHBondContact OE1-NZ 3.48Å; E80-K228 IonicContact OE2-NZ 3.15Å; E80-K228 PolarHBondContact OE2-NZ 3.39Å; E80-K269 IonicContact OE2-NZ 3.69Å; E80-K269 PolarHBondContact OE2-NZ 3.27Å; E80-Y353 VanDerWaalsContact CA-O 3.27Å; E80-Y353 WeakPolarHBondContact CA-O 3.46Å; E80-Y353 WeakPolarHBondContact CB-O 3.2Å; E80-Y353 WeakPolarHBondContact CG-O 3.08Å; E80-P355 HydrophobicContact CG-CG 4.04Å
81	I	96.2	Very high	94	Very high	1 Å²	1	54.7 Å²	54.7	1%	0.005	28%	0.276	C	S	.	.	H	α-helix	trans	-65.8	-44.1	176.6	-61.2	-55.9	0	0	0	111.1	V75 S78 Y83 V84 I85 V103 A221 V222 E225	V75-I81 HydrophobicContact CG1-CG1 4.08Å; S78-I81 PolarHBondContact O-N 3.48Å; I81-Y83 VanDerWaalsContact C-N 3.28Å; I81-Y83 PolarHBondContact O-N 3.06Å; I81-V84 PolarHBondContact O-N 3.25Å; I81-I85 HydrophobicContact CG2-CD1 3.73Å; I81-I85 HydrophobicContact CG2-CG1 4.25Å; I81-I85 WeakPolarHBondContact O-CB 3.35Å; I81-I85 VanDerWaalsContact O-CG1 3.27Å; I81-I85 WeakPolarHBondContact O-CG1 3.19Å; I81-I85 PolarHBondContact O-N 2.95Å; I81-V103 HydrophobicContact CG2-CG1 4.2Å; I81-V103 HydrophobicContact CG2-CG2 4.12Å; I81-A221 HydrophobicContact CD1-CB 4.22Å; I81-V222 HydrophobicContact CD1-CG2 4.13Å; I81-E225 HydrophobicContact CD1-CB 3.89Å; I81-E225 HydrophobicContact CD1-CG 4.28Å; I81-E225 HydrophobicContact CG1-CB 4.17Å; I81-E225 HydrophobicContact CG1-CG 3.99Å
82	H	95.8	Very high	93.8	Very high	57 Å²	57	57.3 Å²	57.3	26%	0.264	30%	0.295	S	S	.	.	H	α-helix	trans	-59.1	-39	174.8	-76	125.9	0	0	0	112.9	S77 S78 E79 K86 R100	S77-H82 PolarHBondContact O-ND1 2.97Å; S78-H82 PolarHBondContact O-N 2.96Å; S78-H82 PolarHBondContact O-ND1 2.9Å; E79-H82 PolarHBondContact O-N 3.38Å; H82-K86 WeakPolarHBondContact O-CB 3.42Å; H82-K86 VanDerWaalsContact O-CG 3.3Å; H82-K86 WeakPolarHBondContact O-CG 3.41Å; H82-K86 PolarHBondContact O-N 2.98Å; H82-K86 VanDerWaalsContact O-N 3.14Å; H82-R100 PolarHBondContact NE2-NH2 3.09Å; H82-R100 VanDerWaalsContact NE2-NH2 3.18Å
83	Y	95.3	Very high	93.3	Very high	82 Å²	82	63.5 Å²	63.5	32%	0.322	33%	0.328	S	S	.	.	H	α-helix	trans	-65	-49.3	175.6	177.4	-89.9	0	0	0	111.4	E79 E80 I81 I85 K86 Q87 Y353 I354 P355	E79-Y83 WeakPolarHBondContact O-CB 3.37Å; E79-Y83 PolarHBondContact O-N 3.01Å; E80-Y83 WeakPolarHBondContact O-CB 3.44Å; E80-Y83 PolarHBondContact O-N 2.94Å; I81-Y83 VanDerWaalsContact C-N 3.28Å; I81-Y83 PolarHBondContact O-N 3.06Å; Y83-I85 PolarHBondContact O-N 3.49Å; Y83-K86 PolarHBondContact O-N 3.21Å; Y83-Q87 PolarHBondContact O-N 2.98Å; Y83-Y353 HydrophobicContact CD2-CD2 4.28Å; Y83-Y353 AromaticContact CD2-CE2 3.97Å; Y83-Y353 HydrophobicContact CD2-CE2 3.97Å; Y83-Y353 HydrophobicContact CG-CD2 4.3Å; Y83-Y353 HydrophobicContact CG-CE2 4.45Å; Y83-I354 HydrophobicContact CD2-CG1 4.28Å; Y83-I354 HydrophobicContact CE1-CG2 4.17Å; Y83-I354 HydrophobicContact CE2-CD1 4.4Å; Y83-I354 HydrophobicContact CE2-CG1 4.09Å; Y83-P355 HydrophobicContact CD1-CG 4.48Å
84	V	94.6	Very high	93.1	Very high	12 Å²	12	63.8 Å²	63.8	7%	0.073	32%	0.322	C	S	.	.	H	α-helix	trans	-62.2	-43.4	179.9	171.3	0	0	0	0	111.5	E80 I81 K86 Q87 L88 L218 A221 P355	E80-V84 WeakPolarHBondContact O-CG2 3.37Å; E80-V84 PolarHBondContact O-N 2.85Å; I81-V84 PolarHBondContact O-N 3.25Å; V84-K86 VanDerWaalsContact C-N 3.35Å; V84-K86 PolarHBondContact O-N 3.41Å; V84-Q87 PolarHBondContact O-N 3.4Å; V84-L88 HydrophobicContact CG1-CD1 3.73Å; V84-L88 HydrophobicContact CG1-CG 4.2Å; V84-L88 WeakPolarHBondContact O-CB 3.31Å; V84-L88 WeakPolarHBondContact O-CG 3.28Å; V84-L88 PolarHBondContact O-N 3.49Å; V84-L218 HydrophobicContact CG1-CD1 4.36Å; V84-A221 HydrophobicContact CB-CB 4.28Å; V84-A221 HydrophobicContact CG1-CB 3.9Å; V84-A221 HydrophobicContact CG2-CB 3.97Å; V84-P355 HydrophobicContact CG2-CG 3.79Å
85	I	95.1	Very high	93.1	Very high	5 Å²	5	64.5 Å²	64.5	3%	0.026	33%	0.327	C	S	.	.	H	α-helix	trans	-59.3	-45.9	175.7	-69.6	169.7	0	0	0	110.8	I81 Y83 Q87 L88 S89 V96 L99 R100 V103 L218	I81-I85 HydrophobicContact CG2-CD1 3.73Å; I81-I85 HydrophobicContact CG2-CG1 4.25Å; I81-I85 WeakPolarHBondContact O-CB 3.35Å; I81-I85 VanDerWaalsContact O-CG1 3.27Å; I81-I85 WeakPolarHBondContact O-CG1 3.19Å; I81-I85 PolarHBondContact O-N 2.95Å; Y83-I85 PolarHBondContact O-N 3.49Å; I85-Q87 VanDerWaalsContact C-N 3.3Å; I85-Q87 PolarHBondContact O-N 2.85Å; I85-L88 PolarHBondContact O-N 2.94Å; I85-S89 WeakPolarHBondContact O-CB 3.18Å; I85-S89 PolarHBondContact O-N 3.29Å; I85-V96 HydrophobicContact CG2-CB 4.3Å; I85-V96 HydrophobicContact CG2-CG1 3.82Å; I85-V96 HydrophobicContact CG2-CG2 4.35Å; I85-L99 HydrophobicContact CG1-CB 4.37Å; I85-L99 HydrophobicContact CG2-CB 3.85Å; I85-L99 HydrophobicContact CG2-CD1 4.07Å; I85-R100 HydrophobicContact CD1-CG 3.82Å; I85-V103 HydrophobicContact CD1-CG2 4.01Å; I85-V103 HydrophobicContact CG1-CG2 4.32Å; I85-L218 HydrophobicContact CG1-CD1 4.27Å
86	K	94.8	Very high	93	Very high	135 Å²	135	66.9 Å²	66.9	59%	0.587	34%	0.341	S	S	*	.	H	α-helix	trans	-62.8	-36.9	178	-77	175.5	-178.8	177.2	0	112.3	H82 Y83 V84 K90	H82-K86 WeakPolarHBondContact O-CB 3.42Å; H82-K86 VanDerWaalsContact O-CG 3.3Å; H82-K86 WeakPolarHBondContact O-CG 3.41Å; H82-K86 PolarHBondContact O-N 2.98Å; H82-K86 VanDerWaalsContact O-N 3.14Å; Y83-K86 PolarHBondContact O-N 3.21Å; V84-K86 VanDerWaalsContact C-N 3.35Å; V84-K86 PolarHBondContact O-N 3.41Å; K86-K90 WeakPolarHBondContact O-CG 3.42Å; K86-K90 PolarHBondContact O-N 3.25Å
87	Q	93.4	Very high	92.9	Very high	74 Å²	74	69 Å²	69	35%	0.346	35%	0.353	S	S	.	.	H	α-helix	trans	-69.2	-49.4	176.9	-175.6	179.7	-20.3	0	0	111	Y83 V84 I85 S89 K90 E91	Y83-Q87 PolarHBondContact O-N 2.98Å; V84-Q87 PolarHBondContact O-N 3.4Å; I85-Q87 VanDerWaalsContact C-N 3.3Å; I85-Q87 PolarHBondContact O-N 2.85Å; Q87-S89 PolarHBondContact O-N 3.47Å; Q87-K90 WeakPolarHBondContact O-CB 3.41Å; Q87-K90 PolarHBondContact O-N 3.44Å; Q87-E91 WeakPolarHBondContact CG-OE1 3.39Å; Q87-E91 PolarHBondContact NE2-OE1 2.92Å; Q87-E91 PolarHBondContact O-N 3.01Å; Q87-E91 VanDerWaalsContact O-N 3.09Å
88	L	93.4	Very high	92.9	Very high	23 Å²	23	68.9 Å²	68.9	12%	0.12	35%	0.349	C	S	.	.	H	α-helix	trans	-65.2	-38.9	-179.6	-69.6	176.3	0	0	0	112.2	V84 I85 K90 E91 S92 L99 K217 L218	V84-L88 HydrophobicContact CG1-CD1 3.73Å; V84-L88 HydrophobicContact CG1-CG 4.2Å; V84-L88 WeakPolarHBondContact O-CB 3.31Å; V84-L88 WeakPolarHBondContact O-CG 3.28Å; V84-L88 PolarHBondContact O-N 3.49Å; I85-L88 PolarHBondContact O-N 2.94Å; L88-K90 PolarHBondContact O-N 2.83Å; L88-E91 PolarHBondContact O-N 3.34Å; L88-S92 PolarHBondContact O-N 3.19Å; L88-S92 PolarHBondContact O-OG 3.06Å; L88-L99 HydrophobicContact CB-CD1 4.07Å; L88-K217 HydrophobicContact CD1-CB 4.45Å; L88-K217 HydrophobicContact CD2-CB 4.17Å; L88-K217 HydrophobicContact CD2-CD 3.95Å; L88-L218 HydrophobicContact CD1-CB 3.7Å; L88-L218 HydrophobicContact CD1-CD1 4.02Å; L88-L218 HydrophobicContact CD1-CG 4.4Å
89	S	94	Very high	92.9	Very high	26 Å²	26	68.3 Å²	68.3	18%	0.182	35%	0.345	C	S	.	.	H	α-helix	trans	-56.9	-36.3	174.6	179.4	0	0	0	0	112.2	I85 Q87 L93 Q94	I85-S89 WeakPolarHBondContact O-CB 3.18Å; I85-S89 PolarHBondContact O-N 3.29Å; Q87-S89 PolarHBondContact O-N 3.47Å; S89-L93 WeakPolarHBondContact O-CA 3.47Å; S89-L93 PolarHBondContact O-N 3.46Å; S89-Q94 WeakPolarHBondContact CA-O 3.27Å; S89-Q94 WeakPolarHBondContact CB-O 3.27Å; S89-Q94 PolarHBondContact OG-O 3.35Å
90	K	92.8	Very high	92.8	Very high	175 Å²	175	67.5 Å²	67.5	76%	0.761	34%	0.336	S	S	*	.	H	α-helix	trans	-73.9	-36.2	174.5	-68.4	175.1	-178.8	-176.6	0	112.9	K86 Q87 L88	K86-K90 WeakPolarHBondContact O-CG 3.42Å; K86-K90 PolarHBondContact O-N 3.25Å; Q87-K90 WeakPolarHBondContact O-CB 3.41Å; Q87-K90 PolarHBondContact O-N 3.44Å; L88-K90 PolarHBondContact O-N 2.83Å
91	E	91.3	Very high	92.9	Very high	103 Å²	103	72.6 Å²	72.6	48%	0.481	36%	0.36	S	S	.	.	H	α-helix	trans	-75.4	-41.9	-179.4	-70.7	177.5	-164	0	0	112.5	Q87 L88 K217	Q87-E91 WeakPolarHBondContact CG-OE1 3.39Å; Q87-E91 PolarHBondContact NE2-OE1 2.92Å; Q87-E91 PolarHBondContact O-N 3.01Å; Q87-E91 VanDerWaalsContact O-N 3.09Å; L88-E91 PolarHBondContact O-N 3.34Å; E91-K217 IonicContact OE1-NZ 3.74Å; E91-K217 IonicContact OE2-NZ 2.98Å; E91-K217 PolarHBondContact OE2-NZ 3.47Å
92	S	85.7	Confident	92.8	Very high	55 Å²	55	75.2 Å²	75.2	39%	0.385	37%	0.372	S	S	.	.	H	α-helix	trans	-101.2	-3.6	-172.5	70.6	0	0	0	0	114.9	L88 Q94	L88-S92 PolarHBondContact O-N 3.19Å; L88-S92 PolarHBondContact O-OG 3.06Å; S92-Q94 PolarHBondContact O-N 3.46Å; S92-Q94 VanDerWaalsContact O-N 3.1Å; S92-Q94 WeakPolarHBondContact OG-CB 3.17Å; S92-Q94 WeakPolarHBondContact OG-CG 3.3Å; S92-Q94 PolarHBondContact OG-N 2.99Å; S92-Q94 PolarHBondContact OG-OE1 2.97Å
93	L	83.1	Confident	92.9	Very high	164 Å²	164	72.5 Å²	72.5	86%	0.859	36%	0.36	S	S	*	.			trans	57.5	14.9	-173.1	-60.2	169.7	0	0	0	114.4	S89	S89-L93 WeakPolarHBondContact O-CA 3.47Å; S89-L93 PolarHBondContact O-N 3.46Å
94	Q	89.6	Confident	92.9	Very high	83 Å²	83	70.2 Å²	70.2	39%	0.388	36%	0.356	S	S	.	.			trans	-79.1	147.5	173.1	-67.9	172	-55.5	0	0	110.5	S89 S92 L99	S89-Q94 WeakPolarHBondContact CA-O 3.27Å; S89-Q94 WeakPolarHBondContact CB-O 3.27Å; S89-Q94 PolarHBondContact OG-O 3.35Å; S92-Q94 PolarHBondContact O-N 3.46Å; S92-Q94 VanDerWaalsContact O-N 3.1Å; S92-Q94 WeakPolarHBondContact OG-CB 3.17Å; S92-Q94 WeakPolarHBondContact OG-CG 3.3Å; S92-Q94 PolarHBondContact OG-N 2.99Å; S92-Q94 PolarHBondContact OG-OE1 2.97Å; Q94-L99 HydrophobicContact CB-CG 4.35Å
95	S	93.3	Very high	92.9	Very high	60 Å²	60	75.6 Å²	75.6	42%	0.42	38%	0.38	S	S	.	.			trans	-69.2	150.7	176	69.2	0	0	0	0	111.2	D97 V98 L99	S95-D97 PolarHBondContact O-N 3.24Å; S95-V98 PolarHBondContact O-N 3.05Å; S95-V98 VanDerWaalsContact OG-CG2 3.28Å; S95-V98 WeakPolarHBondContact OG-CG2 3.48Å; S95-V98 PolarHBondContact OG-N 3.38Å; S95-L99 PolarHBondContact O-N 3.47Å
96	V	92.6	Very high	92.9	Very high	50 Å²	50	75.6 Å²	75.6	30%	0.303	38%	0.38	S	S	.	.	H	α-helix	trans	-57.6	-35.4	176.5	170.3	0	0	0	0	111.6	I85 L99 R100	I85-V96 HydrophobicContact CG2-CB 4.3Å; I85-V96 HydrophobicContact CG2-CG1 3.82Å; I85-V96 HydrophobicContact CG2-CG2 4.35Å; V96-L99 PolarHBondContact O-N 3Å; V96-R100 HydrophobicContact CG1-CG 4.45Å; V96-R100 WeakPolarHBondContact O-CB 3.5Å; V96-R100 WeakPolarHBondContact O-CG 3.47Å; V96-R100 PolarHBondContact O-N 3.23Å
97	D	93.1	Very high	92.9	Very high	111 Å²	111	69.3 Å²	69.3	59%	0.594	35%	0.353	S	S	*	.	H	α-helix	trans	-69.3	-39	-178.6	-60.1	-40.3	0	0	0	112.2	S95 R100 E101	S95-D97 PolarHBondContact O-N 3.24Å; D97-R100 PolarHBondContact O-N 3.31Å; D97-E101 PolarHBondContact O-N 2.9Å
98	V	93.9	Very high	92.9	Very high	75 Å²	75	69.8 Å²	69.8	46%	0.455	36%	0.358	S	S	.	.	H	α-helix	trans	-63.5	-44.2	174.8	170.2	0	0	0	0	110.7	S95 R100 E101 E102	S95-V98 PolarHBondContact O-N 3.05Å; S95-V98 VanDerWaalsContact OG-CG2 3.28Å; S95-V98 WeakPolarHBondContact OG-CG2 3.48Å; S95-V98 PolarHBondContact OG-N 3.38Å; V98-R100 VanDerWaalsContact C-N 3.32Å; V98-R100 PolarHBondContact O-N 3.29Å; V98-E101 PolarHBondContact O-N 2.84Å; V98-E102 PolarHBondContact O-N 3.35Å
99	L	93.8	Very high	92.8	Very high	3 Å²	3	71 Å²	71	2%	0.016	36%	0.363	C	S	.	.	H	α-helix	trans	-66.4	-34.1	177.3	-69.3	171.1	0	0	0	112.1	I85 L88 Q94 S95 V96 E102 V103 L218	I85-L99 HydrophobicContact CG1-CB 4.37Å; I85-L99 HydrophobicContact CG2-CB 3.85Å; I85-L99 HydrophobicContact CG2-CD1 4.07Å; L88-L99 HydrophobicContact CB-CD1 4.07Å; Q94-L99 HydrophobicContact CB-CG 4.35Å; S95-L99 PolarHBondContact O-N 3.47Å; V96-L99 PolarHBondContact O-N 3Å; L99-E102 PolarHBondContact O-N 2.69Å; L99-V103 WeakPolarHBondContact O-CG2 3.48Å; L99-V103 PolarHBondContact O-N 2.87Å; L99-L218 HydrophobicContact CD2-CD2 4.03Å
100	R	94.3	Very high	92.7	Very high	113 Å²	113	69.8 Å²	69.8	43%	0.426	35%	0.354	S	S	.	.	H	α-helix	trans	-65.5	-41.1	173.8	-81.9	178.3	165.2	171.1	-7.4	112.2	H82 I85 V96 D97 V98 E102 V103 S104	H82-R100 PolarHBondContact NE2-NH2 3.09Å; H82-R100 VanDerWaalsContact NE2-NH2 3.18Å; I85-R100 HydrophobicContact CD1-CG 3.82Å; V96-R100 HydrophobicContact CG1-CG 4.45Å; V96-R100 WeakPolarHBondContact O-CB 3.5Å; V96-R100 WeakPolarHBondContact O-CG 3.47Å; V96-R100 PolarHBondContact O-N 3.23Å; D97-R100 PolarHBondContact O-N 3.31Å; V98-R100 VanDerWaalsContact C-N 3.32Å; V98-R100 PolarHBondContact O-N 3.29Å; R100-E102 VanDerWaalsContact C-N 3.35Å; R100-V103 WeakPolarHBondContact O-CB 3.39Å; R100-V103 PolarHBondContact O-N 3.03Å; R100-S104 PolarHBondContact O-N 3.28Å; R100-S104 VanDerWaalsContact O-N 3.08Å
101	E	95	Very high	92.8	Very high	118 Å²	118	61.4 Å²	61.4	55%	0.551	32%	0.318	S	S	*	.	H	α-helix	trans	-62.5	-44.9	173.9	-167.4	61.5	-150.4	0	0	110.4	D97 V98 V103 S104 E105	D97-E101 PolarHBondContact O-N 2.9Å; V98-E101 PolarHBondContact O-N 2.84Å; E101-V103 VanDerWaalsContact C-N 3.3Å; E101-V103 PolarHBondContact O-N 2.94Å; E101-S104 WeakPolarHBondContact O-CA 3.41Å; E101-S104 VanDerWaalsContact O-CB 3.3Å; E101-S104 WeakPolarHBondContact O-CB 3.46Å; E101-S104 PolarHBondContact O-N 3.25Å; E101-E105 PolarHBondContact O-N 3.46Å
102	E	94.8	Very high	92.9	Very high	55 Å²	55	56.6 Å²	56.6	26%	0.257	30%	0.295	S	S	.	.	H	α-helix	trans	-59.5	-38.9	175.6	-169.8	179.3	165.3	0	0	112.1	V98 L99 R100 S104 E105 I106 L218	V98-E102 PolarHBondContact O-N 3.35Å; L99-E102 PolarHBondContact O-N 2.69Å; R100-E102 VanDerWaalsContact C-N 3.35Å; E102-S104 VanDerWaalsContact C-N 3.32Å; E102-S104 PolarHBondContact O-N 3.5Å; E102-E105 PolarHBondContact O-N 3Å; E102-I106 HydrophobicContact CG-CD1 4.05Å; E102-I106 WeakPolarHBondContact O-CB 3.44Å; E102-I106 WeakPolarHBondContact O-CD1 3.2Å; E102-I106 WeakPolarHBondContact O-CG1 3.24Å; E102-I106 PolarHBondContact O-N 3.07Å; E102-L218 HydrophobicContact CB-CD2 4.02Å; E102-L218 HydrophobicContact CG-CD2 3.83Å
103	V	96.2	Very high	93.3	Very high	1 Å²	1	57 Å²	57	1%	0.006	29%	0.29	C	S	.	.	H	α-helix	trans	-60.1	-42.7	171.8	171	0	0	0	0	111.5	L76 I81 I85 L99 R100 E101 I106 L107 L218 V222	L76-V103 HydrophobicContact CD2-CB 4.47Å; L76-V103 HydrophobicContact CD2-CG1 3.71Å; I81-V103 HydrophobicContact CG2-CG1 4.2Å; I81-V103 HydrophobicContact CG2-CG2 4.12Å; I85-V103 HydrophobicContact CD1-CG2 4.01Å; I85-V103 HydrophobicContact CG1-CG2 4.32Å; L99-V103 WeakPolarHBondContact O-CG2 3.48Å; L99-V103 PolarHBondContact O-N 2.87Å; R100-V103 WeakPolarHBondContact O-CB 3.39Å; R100-V103 PolarHBondContact O-N 3.03Å; E101-V103 VanDerWaalsContact C-N 3.3Å; E101-V103 PolarHBondContact O-N 2.94Å; V103-I106 PolarHBondContact O-N 3.31Å; V103-L107 HydrophobicContact CG1-CD1 4.05Å; V103-L107 HydrophobicContact CG1-CG 4.47Å; V103-L107 WeakPolarHBondContact O-CB 3Å; V103-L107 WeakPolarHBondContact O-CG 3.36Å; V103-L107 PolarHBondContact O-N 2.83Å; V103-L218 HydrophobicContact CG2-CD1 3.71Å; V103-L218 HydrophobicContact CG2-CD2 4.28Å; V103-L218 HydrophobicContact CG2-CG 4.2Å; V103-V222 HydrophobicContact CB-CG2 4.16Å; V103-V222 HydrophobicContact CG1-CG1 4.33Å; V103-V222 HydrophobicContact CG1-CG2 3.8Å; V103-V222 HydrophobicContact CG2-CG2 3.67Å
104	S	95.9	Very high	93.7	Very high	34 Å²	34	51.2 Å²	51.2	24%	0.238	26%	0.26	C	S	.	.	H	α-helix	trans	-63.1	-45.3	177.8	-166.8	0	0	0	0	111.4	R100 E101 E102 I106 L107 D108	R100-S104 PolarHBondContact O-N 3.28Å; R100-S104 VanDerWaalsContact O-N 3.08Å; E101-S104 WeakPolarHBondContact O-CA 3.41Å; E101-S104 VanDerWaalsContact O-CB 3.3Å; E101-S104 WeakPolarHBondContact O-CB 3.46Å; E101-S104 PolarHBondContact O-N 3.25Å; E102-S104 VanDerWaalsContact C-N 3.32Å; E102-S104 PolarHBondContact O-N 3.5Å; S104-I106 PolarHBondContact O-N 3.36Å; S104-L107 PolarHBondContact O-N 3.29Å; S104-D108 PolarHBondContact O-N 3.34Å
105	E	95.2	Very high	93.9	Very high	124 Å²	124	54.5 Å²	54.5	58%	0.579	27%	0.269	S	S	*	.	H	α-helix	trans	-60	-45.7	175.9	-69.1	-175.9	170.8	0	0	111.9	E101 E102 L107 D108 E109	E101-E105 PolarHBondContact O-N 3.46Å; E102-E105 PolarHBondContact O-N 3Å; E105-L107 VanDerWaalsContact C-N 3.34Å; E105-L107 PolarHBondContact O-N 2.89Å; E105-D108 PolarHBondContact O-N 2.82Å; E105-E109 WeakPolarHBondContact O-CB 3.4Å; E105-E109 PolarHBondContact O-N 2.93Å
106	I	94.6	Very high	93.9	Very high	6 Å²	6	54.7 Å²	54.7	3%	0.031	27%	0.265	C	S	.	.	H	α-helix	trans	-59.3	-47	176.4	-69	162.4	0	0	0	110	E102 V103 S104 D108 E109 M110 L218 Y219 V222	E102-I106 HydrophobicContact CG-CD1 4.05Å; E102-I106 WeakPolarHBondContact O-CB 3.44Å; E102-I106 WeakPolarHBondContact O-CD1 3.2Å; E102-I106 WeakPolarHBondContact O-CG1 3.24Å; E102-I106 PolarHBondContact O-N 3.07Å; V103-I106 PolarHBondContact O-N 3.31Å; S104-I106 PolarHBondContact O-N 3.36Å; I106-D108 VanDerWaalsContact C-N 3.35Å; I106-D108 PolarHBondContact O-N 3.41Å; I106-E109 WeakPolarHBondContact O-CB 3.35Å; I106-E109 PolarHBondContact O-N 3.4Å; I106-M110 HydrophobicContact CG2-SD 4.14Å; I106-M110 VanDerWaalsContact O-CG 3.22Å; I106-M110 WeakPolarHBondContact O-CG 3.29Å; I106-M110 PolarHBondContact O-N 3.24Å; I106-L218 HydrophobicContact CD1-CD2 4.27Å; I106-L218 HydrophobicContact CD1-CG 4.23Å; I106-Y219 HydrophobicContact CD1-CD2 4.46Å; I106-Y219 HydrophobicContact CG1-CD2 4.25Å; I106-Y219 HydrophobicContact CG2-CD2 3.65Å; I106-Y219 HydrophobicContact CG2-CE2 3.96Å; I106-V222 HydrophobicContact CB-CG1 4.26Å; I106-V222 HydrophobicContact CG2-CB 4Å; I106-V222 HydrophobicContact CG2-CG1 3.64Å
107	L	95.3	Very high	94	Very high	2 Å²	2	55 Å²	55	1%	0.01	28%	0.278	C	S	.	.	H	α-helix	trans	-62.3	-40.4	178.4	-76.5	173.1	0	0	0	112.1	V75 L76 V103 S104 E105 E109 M110 S111 V222 Y226	V75-L107 HydrophobicContact CB-CD1 4.25Å; V75-L107 HydrophobicContact CB-CD2 4.32Å; V75-L107 HydrophobicContact CG1-CD1 4.13Å; V75-L107 HydrophobicContact CG1-CD2 4.04Å; L76-L107 HydrophobicContact CD1-CD1 4.42Å; L76-L107 HydrophobicContact CD2-CD1 3.9Å; L76-L107 HydrophobicContact CG-CD1 3.72Å; V103-L107 HydrophobicContact CG1-CD1 4.05Å; V103-L107 HydrophobicContact CG1-CG 4.47Å; V103-L107 WeakPolarHBondContact O-CB 3Å; V103-L107 WeakPolarHBondContact O-CG 3.36Å; V103-L107 PolarHBondContact O-N 2.83Å; S104-L107 PolarHBondContact O-N 3.29Å; E105-L107 VanDerWaalsContact C-N 3.34Å; E105-L107 PolarHBondContact O-N 2.89Å; L107-E109 VanDerWaalsContact C-N 3.34Å; L107-M110 PolarHBondContact O-N 3.21Å; L107-S111 WeakPolarHBondContact O-CB 3Å; L107-S111 PolarHBondContact O-N 3.14Å; L107-S111 PolarHBondContact O-OG 3.44Å; L107-V222 HydrophobicContact CD2-CG1 3.7Å; L107-V222 HydrophobicContact CG-CG1 3.74Å; L107-Y226 HydrophobicContact CD2-CD2 3.86Å; L107-Y226 HydrophobicContact CD2-CG 4.49Å
108	D	92.8	Very high	94.2	Very high	85 Å²	85	49.9 Å²	49.9	46%	0.455	25%	0.251	S	S	.	.	H	α-helix	trans	-67.7	-33.9	176.9	-79	-18.9	0	0	0	113	K72 S104 E105 I106	K72-D108 IonicContact NZ-OD1 2.72Å; K72-D108 PolarHBondContact NZ-OD1 2.84Å; S104-D108 PolarHBondContact O-N 3.34Å; E105-D108 PolarHBondContact O-N 2.82Å; I106-D108 VanDerWaalsContact C-N 3.35Å; I106-D108 PolarHBondContact O-N 3.41Å
109	E	91.4	Very high	94.3	Very high	48 Å²	48	46.9 Å²	46.9	22%	0.224	23%	0.233	C	C	.	.	H	α-helix	trans	-67.3	-49.6	172.4	-176.8	-170.9	146.6	0	0	111.6	E105 I106 L107 M189 R202 R210	E105-E109 WeakPolarHBondContact O-CB 3.4Å; E105-E109 PolarHBondContact O-N 2.93Å; I106-E109 WeakPolarHBondContact O-CB 3.35Å; I106-E109 PolarHBondContact O-N 3.4Å; L107-E109 VanDerWaalsContact C-N 3.34Å; E109-M189 HydrophobicContact CG-CE 4.38Å; E109-M189 WeakPolarHBondContact OE1-CE 3.47Å; E109-M189 VanDerWaalsContact OE1-SD 3.39Å; E109-R202 PolarHBondContact O-NH2 3.4Å; E109-R210 IonicContact OE1-CZ 2.74Å; E109-R210 IonicContact OE1-NE 3.35Å; E109-R210 PolarHBondContact OE1-NE 3.43Å; E109-R210 VanDerWaalsContact OE1-NE 3.13Å; E109-R210 IonicContact OE1-NH2 3.97Å; E109-R210 PolarHBondContact OE1-NH2 2.96Å; E109-R210 IonicContact OE2-CZ 3.73Å; E109-R210 IonicContact OE2-NE 3.78Å; E109-R210 IonicContact OE2-NH2 3.11Å; E109-R210 PolarHBondContact OE2-NH2 3.41Å
110	M	92	Very high	94.4	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-89.8	-33.5	-167	72.4	173.5	-78.9	0	0	114.5	I106 L107 F207 F208 V222 F223 Y226	I106-M110 HydrophobicContact CG2-SD 4.14Å; I106-M110 VanDerWaalsContact O-CG 3.22Å; I106-M110 WeakPolarHBondContact O-CG 3.29Å; I106-M110 PolarHBondContact O-N 3.24Å; L107-M110 PolarHBondContact O-N 3.21Å; M110-F207 CarbonylContact O-C 3.53Å; M110-F207 WeakPolarHBondContact O-CA 3.44Å; M110-F207 VanDerWaalsContact O-CB 3.26Å; M110-F207 WeakPolarHBondContact O-CB 3.42Å; M110-F208 VanDerWaalsContact CB-O 3.3Å; M110-F208 WeakPolarHBondContact CB-O 3.48Å; M110-F208 PolarHBondContact O-N 3.41Å; M110-V222 HydrophobicContact SD-CG1 4.33Å; M110-F223 HydrophobicContact CE-CB 4.16Å; M110-F223 HydrophobicContact CE-CD2 3.18Å; M110-F223 HydrophobicContact CE-CE2 3.72Å; M110-F223 HydrophobicContact CE-CG 3.94Å; M110-F223 HydrophobicContact SD-CB 4.16Å; M110-F223 HydrophobicContact SD-CD2 3.9Å; M110-F223 HydrophobicContact SD-CG 4.48Å; M110-Y226 HydrophobicContact CE-CD1 3.43Å; M110-Y226 VanDerWaalsContact CE-CD1 3.43Å; M110-Y226 HydrophobicContact CE-CE1 4.16Å; M110-Y226 HydrophobicContact CE-CG 3.71Å
111	S	94.1	Very high	94.5	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	24%	0.244	C	C	.	.			trans	-66.3	148.8	-166.3	57.7	0	0	0	0	114	K72 L107 R202 Y226	K72-S111 VanDerWaalsContact CE-CB 3.47Å; K72-S111 WeakPolarHBondContact CE-OG 3.39Å; K72-S111 PolarHBondContact NZ-OG 3.1Å; K72-S111 VanDerWaalsContact NZ-OG 3.13Å; L107-S111 WeakPolarHBondContact O-CB 3Å; L107-S111 PolarHBondContact O-N 3.14Å; L107-S111 PolarHBondContact O-OG 3.44Å; S111-R202 WeakPolarHBondContact O-CD 3.27Å; S111-R202 WeakPolarHBondContact O-CG 3.41Å; S111-R202 PolarHBondContact O-NE 2.88Å; S111-Y226 WeakPolarHBondContact CA-OH 3.17Å; S111-Y226 WeakPolarHBondContact CB-OH 3.33Å
112	H	93.9	Very high	94.6	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.005	22%	0.224	C	C	.	.			trans	-75.9	160.7	168.7	78.8	-80.7	0	0	0	111.2	L114 A206 F207 Y226 Y235	H112-L114 PolarHBondContact CD2-N 2.93Å; H112-A206 WeakPolarHBondContact CA-O 3.13Å; H112-A206 VanDerWaalsContact CB-O 3.27Å; H112-A206 WeakPolarHBondContact CB-O 3.4Å; H112-F207 HydrophobicContact CB-CB 4.26Å; H112-Y226 PolarHBondContact CE1-OH 3.27Å; H112-Y226 VanDerWaalsContact CE1-OH 3.32Å; H112-Y226 PolarHBondContact N-OH 3.33Å; H112-Y226 AromaticContact ND1-CZ 3.78Å; H112-Y226 PolarHBondContact ND1-OH 2.86Å; H112-Y235 AromaticContact CE1-CZ 3.93Å; H112-Y235 PolarHBondContact CE1-OH 3.4Å; H112-Y235 AromaticContact NE2-CZ 3.93Å; H112-Y235 PolarHBondContact NE2-OH 3.26Å
113	K	93.7	Very high	94.7	Very high	63 Å²	63	42.5 Å²	42.5	27%	0.274	21%	0.213	S	C	.	.			trans	-132.3	49.5	-179.1	-67.8	178.4	-172.4	172	0	111.1	R115 E199 R202 M203	K113-R115 WeakPolarHBondContact O-CG 3.44Å; K113-R115 PolarHBondContact O-N 3.35Å; K113-R115 VanDerWaalsContact O-N 3.17Å; K113-E199 VanDerWaalsContact CD-OE1 3.28Å; K113-E199 WeakPolarHBondContact CD-OE1 3.34Å; K113-E199 IonicContact NZ-OE1 3.71Å; K113-E199 PolarHBondContact NZ-OE1 2.53Å; K113-E199 IonicContact NZ-OE2 2.77Å; K113-E199 PolarHBondContact NZ-OE2 2.89Å; K113-R202 CarbonylContact C-O 3.6Å; K113-R202 HydrophobicContact CB-CG 4.16Å; K113-R202 HydrophobicContact CD-CG 4.31Å; K113-R202 HydrophobicContact CG-CG 4.01Å; K113-R202 PolarHBondContact N-O 3.35Å; K113-M203 HydrophobicContact CB-CG 4.44Å; K113-M203 VanDerWaalsContact O-CA 3.3Å; K113-M203 WeakPolarHBondContact O-CA 3.45Å
114	L	91.9	Very high	94.7	Very high	44 Å²	44	45.4 Å²	45.4	23%	0.23	23%	0.226	C	C	.	.			trans	-50	121.9	-168.4	-164.5	67.1	0	0	0	111.1	P68 H112 I119 M203 S204 Y235	P68-L114 HydrophobicContact CG-CB 4.12Å; H112-L114 PolarHBondContact CD2-N 2.93Å; L114-I119 HydrophobicContact CD1-CD1 3.75Å; L114-I119 HydrophobicContact CD1-CG1 4.21Å; L114-I119 HydrophobicContact CG-CD1 4.07Å; L114-M203 CarbonylContact C-O 3.6Å; L114-M203 WeakPolarHBondContact CA-O 3.43Å; L114-S204 VanDerWaalsContact CD1-C 3.49Å; L114-Y235 HydrophobicContact CD2-CE2 4.38Å
115	R	93.6	Very high	94.7	Very high	152 Å²	152	45.7 Å²	45.7	57%	0.574	23%	0.226	S	C	*	.			trans	-138	124.1	-178	-80	175.8	-178.2	-159	2.8	109.1	K113 G117 A118 I119 M203	K113-R115 WeakPolarHBondContact O-CG 3.44Å; K113-R115 PolarHBondContact O-N 3.35Å; K113-R115 VanDerWaalsContact O-N 3.17Å; R115-G117 PolarHBondContact O-N 3.5Å; R115-G117 VanDerWaalsContact O-N 3.13Å; R115-A118 PolarHBondContact O-N 2.97Å; R115-I119 PolarHBondContact O-N 3.12Å; R115-M203 HydrophobicContact CB-CB 4.47Å; R115-M203 HydrophobicContact CB-CE 4.3Å; R115-M203 VanDerWaalsContact CD-CE 3.47Å; R115-M203 PolarHBondContact N-O 3.41Å
116	L	93.3	Very high	94.6	Very high	63 Å²	63	40.5 Å²	40.5	33%	0.33	20%	0.203	S	C	.	.	H	α-helix	trans	-54.5	-37.2	179.4	-176.1	58.2	0	0	0	112.7	Y55 A118 I119 R120	Y55-L116 HydrophobicContact CD1-CD1 3.6Å; Y55-L116 HydrophobicContact CE1-CD1 4.2Å; Y55-L116 HydrophobicContact CG-CD1 4.38Å; L116-A118 VanDerWaalsContact C-N 3.31Å; L116-A118 PolarHBondContact O-N 3.24Å; L116-I119 PolarHBondContact O-N 3.31Å; L116-R120 HydrophobicContact CD1-CG 4.1Å; L116-R120 HydrophobicContact CG-CG 4.21Å; L116-R120 WeakPolarHBondContact O-CB 3.23Å; L116-R120 VanDerWaalsContact O-CG 3.27Å; L116-R120 WeakPolarHBondContact O-CG 3.47Å; L116-R120 PolarHBondContact O-N 3.19Å
117	G	96.1	Very high	94.7	Very high	57 Å²	57	40.2 Å²	40.2	59%	0.588	20%	0.201	S	C	*	.	H	α-helix	trans	-58.1	-39.5	177	0	0	0	0	0	113.9	R115 F121	R115-G117 PolarHBondContact O-N 3.5Å; R115-G117 VanDerWaalsContact O-N 3.13Å; G117-F121 PolarHBondContact O-N 2.75Å
118	A	96	Very high	94.7	Very high	3 Å²	3	45 Å²	45	3%	0.025	22%	0.222	C	C	.	.	H	α-helix	trans	-74.3	-39.3	177.3	0	0	0	0	0	111.8	R115 L116 R120 F121 F122 L200 M203 S204	R115-A118 PolarHBondContact O-N 2.97Å; L116-A118 VanDerWaalsContact C-N 3.31Å; L116-A118 PolarHBondContact O-N 3.24Å; A118-R120 VanDerWaalsContact C-N 3.31Å; A118-R120 PolarHBondContact O-N 3.11Å; A118-F121 WeakPolarHBondContact O-CB 3.34Å; A118-F121 PolarHBondContact O-N 2.91Å; A118-F122 PolarHBondContact O-N 3.21Å; A118-L200 HydrophobicContact CB-CD1 4.01Å; A118-M203 HydrophobicContact CB-CB 3.52Å; A118-M203 HydrophobicContact CB-CE 4.11Å; A118-S204 WeakPolarHBondContact CB-OG 3.42Å
119	I	95.8	Very high	94.7	Very high	13 Å²	13	43.7 Å²	43.7	7%	0.067	21%	0.214	C	C	.	.	H	α-helix	trans	-56.1	-48.2	172.4	-61	173.1	0	0	0	110.2	L114 R115 L116 F121 F122 A123 Y176 V182	L114-I119 HydrophobicContact CD1-CD1 3.75Å; L114-I119 HydrophobicContact CD1-CG1 4.21Å; L114-I119 HydrophobicContact CG-CD1 4.07Å; R115-I119 PolarHBondContact O-N 3.12Å; L116-I119 PolarHBondContact O-N 3.31Å; I119-F121 VanDerWaalsContact C-N 3.34Å; I119-F121 PolarHBondContact O-N 3.5Å; I119-F122 PolarHBondContact O-N 3.14Å; I119-A123 WeakPolarHBondContact O-CB 3.25Å; I119-A123 PolarHBondContact O-N 3.19Å; I119-Y176 HydrophobicContact CG2-CD2 3.62Å; I119-Y176 HydrophobicContact CG2-CE2 3.89Å; I119-Y176 HydrophobicContact CG2-CG 4.36Å; I119-V182 HydrophobicContact CD1-CB 4.38Å; I119-V182 HydrophobicContact CD1-CG2 4.49Å; I119-V182 HydrophobicContact CG2-CG2 3.97Å
120	R	97.1	Very high	94.8	Very high	59 Å²	59	41.5 Å²	41.5	22%	0.223	20%	0.204	C	C	.	.	H	α-helix	trans	-63.9	-38.3	178.1	-68	-172.5	164.3	155.6	-6.5	112.6	A51 K53 L116 A118 A123 F124	A51-R120 WeakPolarHBondContact CB-O 3.43Å; A51-R120 WeakPolarHBondContact O-CB 3.44Å; A51-R120 WeakPolarHBondContact O-CD 3.44Å; A51-R120 WeakPolarHBondContact O-CG 3.42Å; A51-R120 PolarHBondContact O-NE 3.43Å; K53-R120 PolarHBondContact O-NH2 3.5Å; L116-R120 HydrophobicContact CD1-CG 4.1Å; L116-R120 HydrophobicContact CG-CG 4.21Å; L116-R120 WeakPolarHBondContact O-CB 3.23Å; L116-R120 VanDerWaalsContact O-CG 3.27Å; L116-R120 WeakPolarHBondContact O-CG 3.47Å; L116-R120 PolarHBondContact O-N 3.19Å; A118-R120 VanDerWaalsContact C-N 3.31Å; A118-R120 PolarHBondContact O-N 3.11Å; R120-A123 PolarHBondContact O-N 2.93Å; R120-F124 WeakPolarHBondContact O-CB 3.47Å; R120-F124 PolarHBondContact O-N 3.12Å
121	F	96.7	Very high	94.9	Very high	106 Å²	106	43.9 Å²	43.9	47%	0.465	21%	0.214	S	C	.	.	H	α-helix	trans	-60.1	-45.2	173.8	173	-90.8	0	0	0	111.7	G117 A118 I119 T125 L200	G117-F121 PolarHBondContact O-N 2.75Å; A118-F121 WeakPolarHBondContact O-CB 3.34Å; A118-F121 PolarHBondContact O-N 2.91Å; I119-F121 VanDerWaalsContact C-N 3.34Å; I119-F121 PolarHBondContact O-N 3.5Å; F121-T125 WeakPolarHBondContact O-CB 3.35Å; F121-T125 PolarHBondContact O-N 2.96Å; F121-T125 PolarHBondContact O-OG1 2.67Å; F121-L200 HydrophobicContact CD1-CD1 4.15Å; F121-L200 HydrophobicContact CD1-CD2 3.74Å; F121-L200 HydrophobicContact CD1-CG 4.46Å; F121-L200 HydrophobicContact CE1-CD2 3.51Å
122	F	95.8	Very high	94.9	Very high	27 Å²	27	49.7 Å²	49.7	12%	0.118	24%	0.241	C	C	.	.	H	α-helix	trans	-67.2	-43.2	174.8	-83.3	-63.1	0	0	0	112.2	A118 I119 F124 T125 L126 L169 L200 L201 S204	A118-F122 PolarHBondContact O-N 3.21Å; I119-F122 PolarHBondContact O-N 3.14Å; F122-F124 VanDerWaalsContact C-N 3.28Å; F122-F124 PolarHBondContact O-N 3.25Å; F122-T125 PolarHBondContact O-N 3.37Å; F122-T125 VanDerWaalsContact O-N 3.16Å; F122-L126 HydrophobicContact CB-CD1 4.13Å; F122-L126 HydrophobicContact CD1-CD1 4.38Å; F122-L126 HydrophobicContact CD1-CG 4.45Å; F122-L126 WeakPolarHBondContact O-CB 3.5Å; F122-L126 VanDerWaalsContact O-CG 3.26Å; F122-L126 WeakPolarHBondContact O-CG 3.12Å; F122-L126 PolarHBondContact O-N 3.5Å; F122-L169 HydrophobicContact CD1-CD1 4.19Å; F122-L169 HydrophobicContact CE1-CD1 3.96Å; F122-L200 HydrophobicContact CD2-CG 4.45Å; F122-L200 HydrophobicContact CE1-CD2 4.12Å; F122-L200 HydrophobicContact CE2-CB 4.5Å; F122-L200 HydrophobicContact CE2-CD1 4.44Å; F122-L200 HydrophobicContact CE2-CD2 3.87Å; F122-L200 HydrophobicContact CE2-CG 3.57Å; F122-L200 HydrophobicContact CZ-CB 4.48Å; F122-L200 HydrophobicContact CZ-CD2 3.54Å; F122-L200 HydrophobicContact CZ-CG 3.71Å; F122-L201 HydrophobicContact CE2-CD2 4.36Å; F122-L201 HydrophobicContact CZ-CD2 3.87Å; F122-L201 HydrophobicContact CZ-CG 4.49Å; F122-S204 WeakPolarHBondContact CD2-OG 3.48Å; F122-S204 WeakPolarHBondContact CE2-OG 3.29Å
123	A	96.6	Very high	94.9	Very high	4 Å²	4	49.8 Å²	49.8	3%	0.033	24%	0.242	C	C	.	.	H	α-helix	trans	-55	-44.8	175.9	0	0	0	0	0	111.7	F50 A51 I119 R120 S127 Y176	F50-A123 HydrophobicContact CD1-CB 4.41Å; F50-A123 HydrophobicContact CE1-CB 3.88Å; A51-A123 HydrophobicContact CB-CB 4.38Å; I119-A123 WeakPolarHBondContact O-CB 3.25Å; I119-A123 PolarHBondContact O-N 3.19Å; R120-A123 PolarHBondContact O-N 2.93Å; A123-S127 WeakPolarHBondContact O-CB 3.46Å; A123-S127 PolarHBondContact O-N 3.21Å; A123-S127 VanDerWaalsContact O-N 3.1Å; A123-Y176 HydrophobicContact CB-CD1 3.56Å; A123-Y176 HydrophobicContact CB-CE1 3.5Å; A123-Y176 VanDerWaalsContact CB-CE1 3.5Å; A123-Y176 HydrophobicContact CB-CG 4.34Å
124	F	97.1	Very high	94.9	Very high	62 Å²	62	47.1 Å²	47.1	27%	0.272	23%	0.23	S	C	.	.	H	α-helix	trans	-63	-49.4	175	177.5	-101.8	0	0	0	112.6	D47 L48 A51 R120 F122 K128	D47-F124 HydrophobicContact CB-CD2 3.71Å; D47-F124 HydrophobicContact CB-CE2 3.85Å; L48-F124 HydrophobicContact CB-CD2 4.45Å; L48-F124 HydrophobicContact CB-CE2 4.2Å; A51-F124 HydrophobicContact CB-CB 3.66Å; A51-F124 HydrophobicContact CB-CD2 4.48Å; R120-F124 WeakPolarHBondContact O-CB 3.47Å; R120-F124 PolarHBondContact O-N 3.12Å; F122-F124 VanDerWaalsContact C-N 3.28Å; F122-F124 PolarHBondContact O-N 3.25Å; F124-K128 HydrophobicContact CE1-CD 4.15Å; F124-K128 HydrophobicContact CZ-CD 4.15Å; F124-K128 PolarHBondContact O-N 3.12Å
125	T	95.1	Very high	95.1	Very high	41 Å²	41	47.4 Å²	47.4	25%	0.252	24%	0.236	S	C	.	.	H	α-helix	trans	-71.2	-45.5	-172.9	-56	0	0	0	0	111.4	F121 F122 K128 I129	F121-T125 WeakPolarHBondContact O-CB 3.35Å; F121-T125 PolarHBondContact O-N 2.96Å; F121-T125 PolarHBondContact O-OG1 2.67Å; F122-T125 PolarHBondContact O-N 3.37Å; F122-T125 VanDerWaalsContact O-N 3.16Å; T125-K128 PolarHBondContact O-N 3.49Å; T125-I129 HydrophobicContact CG2-CD1 3.86Å; T125-I129 WeakPolarHBondContact O-CG1 3.37Å; T125-I129 PolarHBondContact O-N 2.9Å
126	L	94.9	Very high	95.1	Very high	15 Å²	15	45.2 Å²	45.2	8%	0.079	23%	0.231	C	C	.	.	H	α-helix	trans	-67	-38.9	178.4	-65	172.6	0	0	0	111.6	F122 K128 I129 F130 L169 F173	F122-L126 HydrophobicContact CB-CD1 4.13Å; F122-L126 HydrophobicContact CD1-CD1 4.38Å; F122-L126 HydrophobicContact CD1-CG 4.45Å; F122-L126 WeakPolarHBondContact O-CB 3.5Å; F122-L126 VanDerWaalsContact O-CG 3.26Å; F122-L126 WeakPolarHBondContact O-CG 3.12Å; F122-L126 PolarHBondContact O-N 3.5Å; L126-K128 VanDerWaalsContact C-N 3.26Å; L126-K128 PolarHBondContact O-N 3.46Å; L126-I129 PolarHBondContact O-N 2.95Å; L126-F130 HydrophobicContact CB-CD2 4.43Å; L126-F130 HydrophobicContact CB-CE2 4.19Å; L126-F130 HydrophobicContact CB-CZ 4.37Å; L126-F130 HydrophobicContact CD2-CE1 4.25Å; L126-F130 HydrophobicContact CD2-CZ 4.1Å; L126-F130 WeakPolarHBondContact O-CB 3.15Å; L126-F130 VanDerWaalsContact O-CG 3.3Å; L126-F130 WeakPolarHBondContact O-CG 3.23Å; L126-F130 PolarHBondContact O-N 2.97Å; L126-L169 HydrophobicContact CD1-CB 3.88Å; L126-L169 HydrophobicContact CD1-CD1 4.36Å; L126-L169 HydrophobicContact CD2-CD1 4.2Å; L126-F173 HydrophobicContact CB-CD2 3.81Å; L126-F173 HydrophobicContact CB-CE2 4.22Å; L126-F173 HydrophobicContact CB-CG 4.5Å; L126-F173 HydrophobicContact CD1-CB 4.22Å; L126-F173 HydrophobicContact CD1-CD2 4.45Å
127	S	95.8	Very high	95.3	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-55.1	-43.6	174	-177.5	0	0	0	0	111.5	D47 A123 K131	D47-S127 WeakPolarHBondContact OD1-CB 3.4Å; D47-S127 PolarHBondContact OD1-OG 2.85Å; A123-S127 WeakPolarHBondContact O-CB 3.46Å; A123-S127 PolarHBondContact O-N 3.21Å; A123-S127 VanDerWaalsContact O-N 3.1Å; S127-K131 WeakPolarHBondContact O-CB 2.99Å; S127-K131 VanDerWaalsContact O-CE 3.32Å; S127-K131 WeakPolarHBondContact O-CE 3.33Å; S127-K131 VanDerWaalsContact O-CG 3.28Å; S127-K131 WeakPolarHBondContact O-CG 3.46Å; S127-K131 PolarHBondContact O-N 3.36Å
128	K	94.4	Very high	95.4	Very high	102 Å²	102	40 Å²	40	44%	0.443	19%	0.19	S	C	.	.	H	α-helix	trans	-67.1	-46.7	176.5	-71.9	-175.4	172.9	-165.6	0	112.9	D47 F124 T125 L126 Q132	D47-K128 HydrophobicContact CB-CG 4.27Å; D47-K128 WeakPolarHBondContact OD2-CG 3.49Å; F124-K128 HydrophobicContact CE1-CD 4.15Å; F124-K128 HydrophobicContact CZ-CD 4.15Å; F124-K128 PolarHBondContact O-N 3.12Å; T125-K128 PolarHBondContact O-N 3.49Å; L126-K128 VanDerWaalsContact C-N 3.26Å; L126-K128 PolarHBondContact O-N 3.46Å; K128-Q132 WeakPolarHBondContact O-CB 3.29Å; K128-Q132 PolarHBondContact O-N 2.67Å
129	I	92.8	Very high	95.4	Very high	57 Å²	57	39.8 Å²	39.8	29%	0.292	19%	0.189	S	C	.	.	H	α-helix	trans	-63	-48.9	-178.6	-68.7	170	0	0	0	109.9	T125 L126 K131 Q132 I133 L317	T125-I129 HydrophobicContact CG2-CD1 3.86Å; T125-I129 WeakPolarHBondContact O-CG1 3.37Å; T125-I129 PolarHBondContact O-N 2.9Å; L126-I129 PolarHBondContact O-N 2.95Å; I129-K131 PolarHBondContact O-N 3.16Å; I129-Q132 WeakPolarHBondContact O-CB 3.36Å; I129-Q132 PolarHBondContact O-N 2.91Å; I129-Q132 VanDerWaalsContact O-N 3.08Å; I129-I133 HydrophobicContact CG2-CD1 3.78Å; I129-I133 HydrophobicContact CG2-CG1 4.44Å; I129-I133 WeakPolarHBondContact O-CG1 3.17Å; I129-I133 PolarHBondContact O-N 2.77Å; I129-L317 HydrophobicContact CG1-CD2 4.38Å; I129-L317 HydrophobicContact CG2-CD2 4.2Å
130	F	95.3	Very high	95.4	Very high	2 Å²	2	39.2 Å²	39.2	1%	0.009	19%	0.186	C	C	.	.	H	α-helix	trans	-65.4	-42.2	-176.3	-66.5	-13.4	0	0	0	112.4	L39 L126 Q132 I133 F134 I166 M170 F173	L39-F130 HydrophobicContact CD1-CB 4.17Å; L39-F130 HydrophobicContact CD2-CB 3.92Å; L126-F130 HydrophobicContact CB-CD2 4.43Å; L126-F130 HydrophobicContact CB-CE2 4.19Å; L126-F130 HydrophobicContact CB-CZ 4.37Å; L126-F130 HydrophobicContact CD2-CE1 4.25Å; L126-F130 HydrophobicContact CD2-CZ 4.1Å; L126-F130 WeakPolarHBondContact O-CB 3.15Å; L126-F130 VanDerWaalsContact O-CG 3.3Å; L126-F130 WeakPolarHBondContact O-CG 3.23Å; L126-F130 PolarHBondContact O-N 2.97Å; F130-Q132 PolarHBondContact O-N 2.8Å; F130-I133 PolarHBondContact O-N 3.16Å; F130-F134 HydrophobicContact CB-CD2 4.23Å; F130-F134 AromaticContact CD1-CD2 3.94Å; F130-F134 HydrophobicContact CD1-CD2 3.94Å; F130-F134 AromaticContact CD1-CE2 3.85Å; F130-F134 HydrophobicContact CD1-CE2 3.85Å; F130-F134 HydrophobicContact CE1-CE2 4.22Å; F130-F134 HydrophobicContact CG-CD2 4.3Å; F130-F134 WeakPolarHBondContact O-CB 3.4Å; F130-F134 PolarHBondContact O-N 3.1Å; F130-I166 HydrophobicContact CE1-CD1 4.23Å; F130-M170 HydrophobicContact CE1-CE 4.14Å; F130-M170 HydrophobicContact CE2-CE 3.8Å; F130-M170 HydrophobicContact CE2-SD 4.01Å; F130-M170 HydrophobicContact CZ-CE 3.53Å; F130-M170 HydrophobicContact CZ-SD 4.29Å; F130-F173 AromaticContact CD2-CD1 3.78Å; F130-F173 HydrophobicContact CD2-CD1 3.78Å; F130-F173 HydrophobicContact CD2-CD2 4.49Å; F130-F173 AromaticContact CD2-CE1 3.76Å; F130-F173 HydrophobicContact CD2-CE1 3.76Å; F130-F173 HydrophobicContact CD2-CE2 4.47Å; F130-F173 HydrophobicContact CD2-CG 4.16Å; F130-F173 HydrophobicContact CD2-CZ 4.12Å; F130-F173 HydrophobicContact CE2-CB 4.14Å; F130-F173 AromaticContact CE2-CD1 3.69Å; F130-F173 HydrophobicContact CE2-CD1 3.69Å; F130-F173 HydrophobicContact CE2-CD2 4.38Å; F130-F173 HydrophobicContact CE2-CE1 4.17Å; F130-F173 AromaticContact CE2-CG 3.81Å; F130-F173 HydrophobicContact CE2-CG 3.81Å
131	K	94.3	Very high	95.3	Very high	51 Å²	51	40 Å²	40	22%	0.222	19%	0.192	C	C	.	.	H	α-helix	trans	-61.4	-27.5	172.9	-74	-172.6	-63.2	-177.1	0	113.9	L39 R42 R43 D47 S127 I129	L39-K131 HydrophobicContact CD2-CG 4.3Å; R42-K131 HydrophobicContact CB-CD 4.02Å; R42-K131 WeakPolarHBondContact O-CD 3.39Å; R42-K131 PolarHBondContact O-NZ 3.04Å; R43-K131 HydrophobicContact CG-CD 3.97Å; R43-K131 HydrophobicContact CG-CG 4.29Å; D47-K131 VanDerWaalsContact CG-NZ 3.28Å; D47-K131 WeakPolarHBondContact OD1-CE 3.42Å; D47-K131 IonicContact OD1-NZ 3.51Å; D47-K131 PolarHBondContact OD1-NZ 3.25Å; D47-K131 IonicContact OD2-NZ 2.56Å; D47-K131 PolarHBondContact OD2-NZ 3.4Å; S127-K131 WeakPolarHBondContact O-CB 2.99Å; S127-K131 VanDerWaalsContact O-CE 3.32Å; S127-K131 WeakPolarHBondContact O-CE 3.33Å; S127-K131 VanDerWaalsContact O-CG 3.28Å; S127-K131 WeakPolarHBondContact O-CG 3.46Å; S127-K131 PolarHBondContact O-N 3.36Å; I129-K131 PolarHBondContact O-N 3.16Å
132	Q	92.9	Very high	95.1	Very high	122 Å²	122	39 Å²	39	57%	0.57	19%	0.189	S	C	*	.	H	α-helix	trans	-81.6	-39.4	-178	179.4	64.3	37.1	0	0	112.2	K128 I129 F130 L317	K128-Q132 WeakPolarHBondContact O-CB 3.29Å; K128-Q132 PolarHBondContact O-N 2.67Å; I129-Q132 WeakPolarHBondContact O-CB 3.36Å; I129-Q132 PolarHBondContact O-N 2.91Å; I129-Q132 VanDerWaalsContact O-N 3.08Å; F130-Q132 PolarHBondContact O-N 2.8Å; Q132-L317 HydrophobicContact CG-CB 4.34Å; Q132-L317 HydrophobicContact CG-CD2 4.29Å; Q132-L317 WeakPolarHBondContact CG-O 3.48Å; Q132-L317 PolarHBondContact NE2-O 3.1Å
133	I	93.3	Very high	95.1	Very high	3 Å²	3	37.8 Å²	37.8	2%	0.015	18%	0.184	C	C	.	.	H	α-helix	trans	-105.7	-22.7	-170.3	72.9	-177.3	0	0	0	114.1	I129 F130 L288 L317 F321	I129-I133 HydrophobicContact CG2-CD1 3.78Å; I129-I133 HydrophobicContact CG2-CG1 4.44Å; I129-I133 WeakPolarHBondContact O-CG1 3.17Å; I129-I133 PolarHBondContact O-N 2.77Å; F130-I133 PolarHBondContact O-N 3.16Å; I133-L288 HydrophobicContact CD1-CD2 4.26Å; I133-L317 HydrophobicContact CG2-CD2 3.74Å; I133-F321 HydrophobicContact CB-CD2 3.91Å; I133-F321 HydrophobicContact CB-CE2 4.41Å; I133-F321 PolarHBondContact O-N 3.05Å
134	F	95.4	Very high	95.1	Very high	6 Å²	6	38 Å²	38	3%	0.026	18%	0.184	C	C	.	.			trans	-111.6	138	-179.9	-62.3	-65	0	0	0	111.5	L39 F130 I166 L288 F321 G322 I324	L39-F134 HydrophobicContact CD1-CB 4.23Å; F130-F134 HydrophobicContact CB-CD2 4.23Å; F130-F134 AromaticContact CD1-CD2 3.94Å; F130-F134 HydrophobicContact CD1-CD2 3.94Å; F130-F134 AromaticContact CD1-CE2 3.85Å; F130-F134 HydrophobicContact CD1-CE2 3.85Å; F130-F134 HydrophobicContact CE1-CE2 4.22Å; F130-F134 HydrophobicContact CG-CD2 4.3Å; F130-F134 WeakPolarHBondContact O-CB 3.4Å; F130-F134 PolarHBondContact O-N 3.1Å; F134-I166 HydrophobicContact CE2-CD1 3.69Å; F134-I166 HydrophobicContact CZ-CD1 3.59Å; F134-L288 HydrophobicContact CZ-CD1 3.85Å; F134-F321 HydrophobicContact CD1-CB 3.69Å; F134-F321 HydrophobicContact CE1-CB 3.44Å; F134-F321 VanDerWaalsContact CE1-CB 3.44Å; F134-F321 HydrophobicContact CE1-CG 4.34Å; F134-F321 HydrophobicContact CZ-CB 4.4Å; F134-G322 CarbonylContact C-O 3.51Å; F134-G322 WeakPolarHBondContact CA-O 3.35Å; F134-I324 HydrophobicContact CD1-CD1 3.79Å; F134-I324 HydrophobicContact CD1-CG1 3.78Å; F134-I324 HydrophobicContact CD2-CD1 3.51Å; F134-I324 HydrophobicContact CD2-CG1 4.38Å; F134-I324 HydrophobicContact CE1-CD1 3.64Å; F134-I324 HydrophobicContact CE1-CG1 3.74Å; F134-I324 HydrophobicContact CE2-CD1 3.36Å; F134-I324 HydrophobicContact CE2-CG1 4.36Å; F134-I324 HydrophobicContact CG-CD1 3.74Å; F134-I324 HydrophobicContact CG-CG1 4.12Å; F134-I324 HydrophobicContact CZ-CD1 3.44Å; F134-I324 VanDerWaalsContact CZ-CD1 3.44Å; F134-I324 HydrophobicContact CZ-CG1 4.06Å
135	S	94.1	Very high	95	Very high	51 Å²	51	40 Å²	40	36%	0.357	19%	0.194	S	C	.	.	S	Bend	trans	-71.6	-37.5	172.5	-61.9	0	0	0	0	111.3	R43 N320 G322	R43-S135 PolarHBondContact NH2-O 2.77Å; S135-N320 PolarHBondContact OG-ND2 3.28Å; S135-N320 PolarHBondContact OG-OD1 3.5Å; S135-N320 VanDerWaalsContact OG-OD1 3.05Å; S135-G322 PolarHBondContact N-O 2.85Å
136	K	95.6	Very high	95.1	Very high	105 Å²	105	39.8 Å²	39.8	46%	0.457	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	152.6	177.5	-57.9	-175.7	-179.5	174.8	0	111.4	D37 S323 I324	D37-K136 HydrophobicContact CB-CB 4.37Å; D37-K136 WeakPolarHBondContact OD1-CA 3.37Å; K136-S323 WeakPolarHBondContact O-CA 3.47Å; K136-I324 PolarHBondContact O-N 3.11Å
137	V	97.2	Very high	95.2	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	98.1	161.8	178.5	0	0	0	0	107.2	D37 I38 L39 V139 M170 I324	D37-V137 WeakPolarHBondContact CA-O 3.23Å; D37-V137 PolarHBondContact OD1-N 3.35Å; I38-V137 HydrophobicContact CD1-CB 4.33Å; I38-V137 HydrophobicContact CD1-CG1 3.85Å; I38-V137 HydrophobicContact CG1-CB 3.85Å; I38-V137 HydrophobicContact CG1-CG1 3.86Å; I38-V137 WeakPolarHBondContact CG1-O 3.36Å; I38-V137 PolarHBondContact N-O 3.33Å; L39-V137 HydrophobicContact CD1-CB 4.33Å; L39-V137 HydrophobicContact CD1-CG2 3.66Å; L39-V137 HydrophobicContact CD2-CG2 4.22Å; L39-V137 HydrophobicContact CG-CB 3.93Å; L39-V137 HydrophobicContact CG-CG2 3.73Å; V137-V139 HydrophobicContact CG1-CG2 4.45Å; V137-M170 HydrophobicContact CG1-SD 4.31Å; V137-I324 HydrophobicContact CG2-CB 4.39Å; V137-I324 HydrophobicContact CG2-CD1 4Å
138	C	96.9	Very high	95.1	Very high	10 Å²	10	43.1 Å²	43.1	7%	0.068	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	125.4	-175.8	-62.1	0	0	0	0	109.9	F35 E36 I324 H325 V326	F35-C138 HydrophobicContact CB-CB 4.06Å; F35-C138 HydrophobicContact CD1-CB 3.7Å; F35-C138 HydrophobicContact CE1-CB 4.46Å; F35-C138 HydrophobicContact CG-CB 4.15Å; E36-C138 CarbonylContact O-C 3.49Å; E36-C138 VanDerWaalsContact O-CA 3.27Å; E36-C138 WeakPolarHBondContact O-CA 3.43Å; C138-I324 PolarHBondContact N-O 2.86Å; C138-H325 WeakPolarHBondContact CB-CD2 3.41Å; C138-H325 WeakPolarHBondContact O-CA 3.32Å; C138-V326 PolarHBondContact O-N 2.78Å
139	V	97.3	Very high	95.1	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	136.6	175.8	-174.3	0	0	0	0	110.3	F35 E36 I38 V137 E141 I144 I174 Y178 V326 F328	F35-V139 WeakPolarHBondContact CA-O 3.49Å; F35-V139 VanDerWaalsContact CD1-C 3.42Å; E36-V139 PolarHBondContact N-O 3.46Å; E36-V139 PolarHBondContact O-N 3.42Å; I38-V139 HydrophobicContact CD1-CG2 4.28Å; I38-V139 HydrophobicContact CG2-CB 4.35Å; I38-V139 HydrophobicContact CG2-CG2 3.97Å; V137-V139 HydrophobicContact CG1-CG2 4.45Å; V139-E141 PolarHBondContact O-N 3.08Å; V139-I144 HydrophobicContact CG1-CD1 3.89Å; V139-I144 HydrophobicContact CG1-CG1 3.67Å; V139-I174 HydrophobicContact CG1-CG2 4.23Å; V139-I174 HydrophobicContact CG2-CD1 3.96Å; V139-I174 HydrophobicContact CG2-CG1 4.2Å; V139-I174 HydrophobicContact CG2-CG2 4.17Å; V139-Y178 HydrophobicContact CB-CE2 4.33Å; V139-Y178 HydrophobicContact CG1-CE2 4.11Å; V139-V326 WeakPolarHBondContact CA-O 3.25Å; V139-V326 HydrophobicContact CG2-CB 4.42Å; V139-F328 HydrophobicContact CG1-CD2 3.84Å; V139-F328 HydrophobicContact CG1-CE2 3.69Å
140	N	95.9	Very high	95.2	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	120	177.4	69.8	-48.2	0	0	0	111.4	D33 F35 E142 G143 I144 V326 Y327 F328	D33-N140 HydrophobicContact CB-CB 3.82Å; D33-N140 PolarHBondContact OD2-ND2 2.61Å; F35-N140 HydrophobicContact CD1-CB 4.35Å; F35-N140 HydrophobicContact CE1-CB 4.11Å; F35-N140 HydrophobicContact CZ-CB 4.37Å; N140-E142 PolarHBondContact O-N 3.07Å; N140-G143 WeakPolarHBondContact ND2-CA 3.29Å; N140-G143 PolarHBondContact ND2-N 3.21Å; N140-G143 PolarHBondContact O-N 3.05Å; N140-I144 PolarHBondContact O-N 2.95Å; N140-V326 PolarHBondContact N-O 3.1Å; N140-V326 PolarHBondContact OD1-O 3.44Å; N140-Y327 HydrophobicContact CB-CD2 3.91Å; N140-Y327 HydrophobicContact CB-CE2 4.03Å; N140-Y327 WeakPolarHBondContact OD1-CA 3.25Å; N140-F328 PolarHBondContact ND2-O 3.3Å; N140-F328 PolarHBondContact OD1-N 3.5Å
141	E	93.2	Very high	95.1	Very high	75 Å²	75	43 Å²	43	35%	0.35	20%	0.2	S	C	.	.	H	α-helix	trans	-65.6	-41.7	-172.9	-69	-176.1	-141.1	0	0	112.7	E34 E36 V139 G143 I144 Q145	E34-E141 PolarHBondContact O-N 3.36Å; E36-E141 HydrophobicContact CB-CG 3.87Å; V139-E141 PolarHBondContact O-N 3.08Å; E141-G143 VanDerWaalsContact C-N 3.29Å; E141-G143 PolarHBondContact O-N 2.71Å; E141-I144 PolarHBondContact O-N 2.84Å; E141-I144 VanDerWaalsContact O-N 3.16Å; E141-Q145 WeakPolarHBondContact O-CG 3.34Å; E141-Q145 PolarHBondContact O-N 3.41Å
142	E	94	Very high	94.9	Very high	87 Å²	87	43.9 Å²	43.9	41%	0.407	21%	0.205	S	C	.	.	H	α-helix	trans	-60.7	-39.9	-179.8	-177.8	175	163.2	0	0	111.6	D33 N140 Q145 K146	D33-E142 HydrophobicContact CB-CB 4.45Å; N140-E142 PolarHBondContact O-N 3.07Å; E142-Q145 PolarHBondContact O-N 2.77Å; E142-K146 HydrophobicContact CG-CD 4.24Å; E142-K146 WeakPolarHBondContact O-CG 3.36Å; E142-K146 PolarHBondContact O-N 3.21Å; E142-K146 WeakPolarHBondContact OE1-CE 3.43Å; E142-K146 IonicContact OE1-NZ 3.79Å; E142-K146 PolarHBondContact OE1-NZ 3.19Å
143	G	95.8	Very high	94.9	Very high	1 Å²	1	42.9 Å²	42.9	1%	0.01	20%	0.2	C	C	.	.	H	α-helix	trans	-62.1	-42	175.7	0	0	0	0	0	112.7	N140 E141 K146 L147 F328	N140-G143 WeakPolarHBondContact ND2-CA 3.29Å; N140-G143 PolarHBondContact ND2-N 3.21Å; N140-G143 PolarHBondContact O-N 3.05Å; E141-G143 VanDerWaalsContact C-N 3.29Å; E141-G143 PolarHBondContact O-N 2.71Å; G143-K146 PolarHBondContact O-N 2.65Å; G143-L147 WeakPolarHBondContact O-CB 3.49Å; G143-L147 PolarHBondContact O-N 2.79Å; G143-F328 WeakPolarHBondContact CA-O 3.11Å
144	I	96.2	Very high	94.9	Very high	8 Å²	8	44.2 Å²	44.2	4%	0.041	21%	0.206	C	C	.	.	H	α-helix	trans	-62.8	-43.8	174.9	-67	-64.1	0	0	0	111.3	V139 N140 E141 K146 L147 Q148 I174 Y178 L180 F328	V139-I144 HydrophobicContact CG1-CD1 3.89Å; V139-I144 HydrophobicContact CG1-CG1 3.67Å; N140-I144 PolarHBondContact O-N 2.95Å; E141-I144 PolarHBondContact O-N 2.84Å; E141-I144 VanDerWaalsContact O-N 3.16Å; I144-K146 VanDerWaalsContact C-N 3.35Å; I144-K146 PolarHBondContact O-N 3.38Å; I144-L147 PolarHBondContact O-N 3.17Å; I144-Q148 WeakPolarHBondContact O-CB 3.5Å; I144-Q148 PolarHBondContact O-N 3.23Å; I144-I174 HydrophobicContact CD1-CG2 4.1Å; I144-Y178 HydrophobicContact CD1-CD2 3.87Å; I144-Y178 HydrophobicContact CD1-CE2 3.98Å; I144-Y178 HydrophobicContact CG1-CD2 4.08Å; I144-Y178 HydrophobicContact CG1-CE2 3.86Å; I144-Y178 HydrophobicContact CG2-CD1 3.87Å; I144-Y178 HydrophobicContact CG2-CD2 4.13Å; I144-Y178 HydrophobicContact CG2-CE1 4.27Å; I144-Y178 HydrophobicContact CG2-CG 3.78Å; I144-L180 HydrophobicContact CG2-CD1 4.29Å; I144-F328 HydrophobicContact CD1-CD1 4.46Å; I144-F328 HydrophobicContact CD1-CD2 3.7Å; I144-F328 HydrophobicContact CD1-CE1 4.32Å; I144-F328 HydrophobicContact CD1-CE2 3.54Å; I144-F328 HydrophobicContact CD1-CG 4.17Å; I144-F328 HydrophobicContact CD1-CZ 3.86Å; I144-F328 HydrophobicContact CG1-CD2 4.31Å; I144-F328 HydrophobicContact CG1-CE2 4.49Å
145	Q	95.3	Very high	94.8	Very high	103 Å²	103	44.1 Å²	44.1	48%	0.481	21%	0.206	S	C	.	.	H	α-helix	trans	-64.3	-38.1	177.7	-66.2	174	16.1	0	0	112.4	E141 E142 R149	E141-Q145 WeakPolarHBondContact O-CG 3.34Å; E141-Q145 PolarHBondContact O-N 3.41Å; E142-Q145 PolarHBondContact O-N 2.77Å; Q145-R149 PolarHBondContact O-N 3.36Å; Q145-R149 PolarHBondContact O-NE 3.32Å
146	K	96.5	Very high	94.9	Very high	38 Å²	38	42 Å²	42	17%	0.165	19%	0.191	C	C	.	.	H	α-helix	trans	-65.9	-44.1	173.2	-73.1	169.8	-178.6	166.4	0	111.4	E142 G143 I144 Q148 R149 A150 D330 P331	E142-K146 HydrophobicContact CG-CD 4.24Å; E142-K146 WeakPolarHBondContact O-CG 3.36Å; E142-K146 PolarHBondContact O-N 3.21Å; E142-K146 WeakPolarHBondContact OE1-CE 3.43Å; E142-K146 IonicContact OE1-NZ 3.79Å; E142-K146 PolarHBondContact OE1-NZ 3.19Å; G143-K146 PolarHBondContact O-N 2.65Å; I144-K146 VanDerWaalsContact C-N 3.35Å; I144-K146 PolarHBondContact O-N 3.38Å; K146-Q148 PolarHBondContact O-N 2.94Å; K146-R149 PolarHBondContact O-N 3.46Å; K146-A150 PolarHBondContact O-N 3.32Å; K146-D330 WeakPolarHBondContact CD-OD1 3.49Å; K146-D330 VanDerWaalsContact CE-OD1 3.25Å; K146-D330 WeakPolarHBondContact CE-OD1 3.15Å; K146-D330 IonicContact NZ-OD1 3.35Å; K146-D330 PolarHBondContact NZ-OD1 2.9Å; K146-P331 HydrophobicContact CB-CG 4.27Å
147	L	96.5	Very high	95	Very high	0 Å²	0	37 Å²	37	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-60.1	-45.1	175.8	176.3	62	0	0	0	111.5	G143 I144 R149 A150 I151 V156 L158 L175 L180 V278 F328	G143-L147 WeakPolarHBondContact O-CB 3.49Å; G143-L147 PolarHBondContact O-N 2.79Å; I144-L147 PolarHBondContact O-N 3.17Å; L147-R149 VanDerWaalsContact C-N 3.27Å; L147-R149 PolarHBondContact O-N 3.19Å; L147-A150 PolarHBondContact O-N 3.48Å; L147-A150 VanDerWaalsContact O-N 3.15Å; L147-I151 HydrophobicContact CD1-CD1 3.83Å; L147-I151 HydrophobicContact CD1-CG1 3.93Å; L147-I151 HydrophobicContact CD2-CD1 4.4Å; L147-I151 HydrophobicContact CG-CD1 3.79Å; L147-I151 HydrophobicContact CG-CG1 4.3Å; L147-I151 WeakPolarHBondContact O-CG1 3.46Å; L147-I151 PolarHBondContact O-N 3.44Å; L147-V156 HydrophobicContact CD1-CG1 3.93Å; L147-L158 HydrophobicContact CD1-CD2 3.81Å; L147-L158 HydrophobicContact CD2-CD2 4.41Å; L147-L175 HydrophobicContact CD2-CD1 4.12Å; L147-L175 HydrophobicContact CD2-CG 4.47Å; L147-L180 HydrophobicContact CD2-CD1 3.98Å; L147-L180 HydrophobicContact CG-CD1 4.3Å; L147-V278 HydrophobicContact CD1-CG2 4.11Å; L147-F328 HydrophobicContact CD2-CD1 3.83Å; L147-F328 HydrophobicContact CD2-CE1 3.73Å
148	Q	94.9	Very high	95.1	Very high	84 Å²	84	37 Å²	37	39%	0.393	17%	0.169	S	C	.	.	H	α-helix	trans	-58.2	-39.2	178.3	-174.5	-179.8	22.8	0	0	112.2	I144 K146 Q152 L180	I144-Q148 WeakPolarHBondContact O-CB 3.5Å; I144-Q148 PolarHBondContact O-N 3.23Å; K146-Q148 PolarHBondContact O-N 2.94Å; Q148-Q152 WeakPolarHBondContact O-CG 3.25Å; Q148-Q152 PolarHBondContact O-NE2 2.86Å; Q148-L180 HydrophobicContact CB-CD2 3.89Å; Q148-L180 HydrophobicContact CG-CD2 3.76Å
149	R	94.3	Very high	95.1	Very high	145 Å²	145	36.5 Å²	36.5	55%	0.547	17%	0.166	S	C	.	.	H	α-helix	trans	-68.2	-47.2	174	-72.7	-177.9	-76.2	165.9	-6.9	111.5	Q145 K146 L147 I151 Q152 E153	Q145-R149 PolarHBondContact O-N 3.36Å; Q145-R149 PolarHBondContact O-NE 3.32Å; K146-R149 PolarHBondContact O-N 3.46Å; L147-R149 VanDerWaalsContact C-N 3.27Å; L147-R149 PolarHBondContact O-N 3.19Å; R149-I151 VanDerWaalsContact C-N 3.35Å; R149-I151 PolarHBondContact O-N 2.88Å; R149-Q152 PolarHBondContact O-N 3.41Å; R149-Q152 VanDerWaalsContact O-N 3.12Å; R149-E153 PolarHBondContact O-N 2.94Å
150	A	94.8	Very high	95.1	Very high	5 Å²	5	36.5 Å²	36.5	4%	0.041	17%	0.166	C	C	.	.	H	α-helix	trans	-58.4	-44.3	-179.9	0	0	0	0	0	112.5	K146 L147 Q152 E153 H154 V156 Y276 P331	K146-A150 PolarHBondContact O-N 3.32Å; L147-A150 PolarHBondContact O-N 3.48Å; L147-A150 VanDerWaalsContact O-N 3.15Å; A150-Q152 PolarHBondContact O-N 3.43Å; A150-E153 PolarHBondContact O-N 3.43Å; A150-E153 VanDerWaalsContact O-N 3.09Å; A150-H154 PolarHBondContact O-N 2.98Å; A150-H154 VanDerWaalsContact O-N 3.09Å; A150-H154 VanDerWaalsContact O-O 3.08Å; A150-V156 HydrophobicContact CB-CG2 4.09Å; A150-Y276 HydrophobicContact CB-CD2 3.68Å; A150-Y276 HydrophobicContact CB-CE2 4.13Å; A150-Y276 HydrophobicContact CB-CG 4.22Å; A150-P331 HydrophobicContact CB-CB 3.89Å; A150-P331 HydrophobicContact CB-CG 3.81Å
151	I	92.9	Very high	95.1	Very high	9 Å²	9	36.7 Å²	36.7	5%	0.046	17%	0.167	C	C	.	.	H	α-helix	trans	-59.7	-32.6	178.4	-71.7	173.6	0	0	0	112	Y60 L147 R149 V156 P181 P237	Y60-I151 WeakPolarHBondContact CA-O 3.44Å; Y60-I151 VanDerWaalsContact CB-O 3.31Å; Y60-I151 WeakPolarHBondContact CB-O 3.48Å; Y60-I151 PolarHBondContact N-O 2.96Å; L147-I151 HydrophobicContact CD1-CD1 3.83Å; L147-I151 HydrophobicContact CD1-CG1 3.93Å; L147-I151 HydrophobicContact CD2-CD1 4.4Å; L147-I151 HydrophobicContact CG-CD1 3.79Å; L147-I151 HydrophobicContact CG-CG1 4.3Å; L147-I151 WeakPolarHBondContact O-CG1 3.46Å; L147-I151 PolarHBondContact O-N 3.44Å; R149-I151 VanDerWaalsContact C-N 3.35Å; R149-I151 PolarHBondContact O-N 2.88Å; I151-V156 HydrophobicContact CB-CG2 4.43Å; I151-V156 HydrophobicContact CG1-CB 4.26Å; I151-V156 HydrophobicContact CG1-CG2 3.78Å; I151-P181 HydrophobicContact CG2-CG 3.96Å; I151-P237 HydrophobicContact CD1-CG 3.96Å; I151-P237 HydrophobicContact CG1-CG 4.25Å
152	Q	90.9	Very high	95.1	Very high	70 Å²	70	33.4 Å²	33.4	33%	0.327	15%	0.152	S	C	.	.	H	α-helix	trans	-79.9	-22.8	179.4	-70.5	174.4	64.9	0	0	112.8	L58 K61 Q148 R149 A150	L58-Q152 HydrophobicContact CB-CG 4.19Å; K61-Q152 VanDerWaalsContact CB-O 3.28Å; K61-Q152 WeakPolarHBondContact CB-O 3.44Å; K61-Q152 PolarHBondContact N-O 3.23Å; Q148-Q152 WeakPolarHBondContact O-CG 3.25Å; Q148-Q152 PolarHBondContact O-NE2 2.86Å; R149-Q152 PolarHBondContact O-N 3.41Å; R149-Q152 VanDerWaalsContact O-N 3.12Å; A150-Q152 PolarHBondContact O-N 3.43Å
153	E	91.8	Very high	95	Very high	101 Å²	101	30.2 Å²	30.2	47%	0.472	14%	0.136	S	C	.	.	H	α-helix	trans	-93.4	-46.1	-174.1	-76.1	-175.4	179.1	0	0	114.1	Y60 R149 A150 Y276	Y60-E153 VanDerWaalsContact CD2-C 3.41Å; Y60-E153 WeakPolarHBondContact CD2-O 3.19Å; Y60-E153 WeakPolarHBondContact CE2-O 3.49Å; R149-E153 PolarHBondContact O-N 2.94Å; A150-E153 PolarHBondContact O-N 3.43Å; A150-E153 VanDerWaalsContact O-N 3.09Å; E153-Y276 HydrophobicContact CB-CE2 4Å; E153-Y276 PolarHBondContact OE2-OH 3.33Å
154	H	93	Very high	94.7	Very high	30 Å²	30	30.1 Å²	30.1	14%	0.139	14%	0.136	C	C	.	.	S	Bend	trans	-150.1	162.4	-174.6	-67	-47.6	0	0	0	111.2	A150 V156 F273 D274 Y276	A150-H154 PolarHBondContact O-N 2.98Å; A150-H154 VanDerWaalsContact O-N 3.09Å; A150-H154 VanDerWaalsContact O-O 3.08Å; H154-V156 PolarHBondContact O-N 3.12Å; H154-F273 AromaticContact CE1-CD1 3.54Å; H154-F273 AromaticContact NE2-CD1 3.8Å; H154-D274 HydrophobicContact CB-CB 4.47Å; H154-Y276 HydrophobicContact CB-CD2 3.81Å; H154-Y276 HydrophobicContact CB-CE2 3.84Å; H154-Y276 AromaticContact CD2-CE2 3.62Å; H154-Y276 AromaticContact CD2-CZ 3.81Å
155	P	94.3	Very high	94.2	Very high	5 Å²	5	32.5 Å²	32.5	3%	0.032	14%	0.144	C	C	.	.			trans	-54.2	135.8	171.6	-26.3	35.4	0	0	0	112.2	Y60 L231 V272 T275 Y276	Y60-P155 HydrophobicContact CD1-CG 4.15Å; Y60-P155 HydrophobicContact CE1-CG 4.23Å; P155-L231 HydrophobicContact CB-CD2 4.03Å; P155-L231 WeakPolarHBondContact CG-O 3.29Å; P155-V272 HydrophobicContact CG-CG1 4.3Å; P155-T275 WeakPolarHBondContact O-CA 3.23Å; P155-T275 WeakPolarHBondContact O-CG2 3.35Å; P155-Y276 PolarHBondContact O-N 2.83Å
156	V	95.9	Very high	93.9	Very high	6 Å²	6	28.8 Å²	28.8	4%	0.036	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	136	-176.9	173.5	0	0	0	0	110.7	L147 A150 I151 H154 L158 P237 V238 Y276 V278	L147-V156 HydrophobicContact CD1-CG1 3.93Å; A150-V156 HydrophobicContact CB-CG2 4.09Å; I151-V156 HydrophobicContact CB-CG2 4.43Å; I151-V156 HydrophobicContact CG1-CB 4.26Å; I151-V156 HydrophobicContact CG1-CG2 3.78Å; H154-V156 PolarHBondContact O-N 3.12Å; V156-L158 HydrophobicContact CG1-CD2 3.63Å; V156-L158 HydrophobicContact CG1-CG 4.32Å; V156-P237 HydrophobicContact CB-CB 4.32Å; V156-P237 HydrophobicContact CG1-CB 4.35Å; V156-P237 WeakPolarHBondContact O-CA 3.33Å; V156-V238 PolarHBondContact O-N 3.27Å; V156-Y276 WeakPolarHBondContact CA-O 3.5Å; V156-V278 HydrophobicContact CG1-CG2 3.74Å
157	V	97.9	Very high	93.6	Very high	0 Å²	0	27 Å²	27	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	118.8	168.8	178.9	0	0	0	0	108.5	L159 L231 V238 F240 V263 T275 Y276 L277 V278	V157-L159 HydrophobicContact CG1-CD2 3.68Å; V157-L159 HydrophobicContact CG1-CG 4.08Å; V157-L231 HydrophobicContact CG2-CD2 3.95Å; V157-V238 CarbonylContact C-O 3.27Å; V157-V238 VanDerWaalsContact CA-O 3.28Å; V157-V238 WeakPolarHBondContact CA-O 3.38Å; V157-F240 HydrophobicContact CG1-CD1 4.06Å; V157-F240 HydrophobicContact CG1-CE1 3.39Å; V157-F240 HydrophobicContact CG1-CZ 4.17Å; V157-V263 HydrophobicContact CG1-CG2 4.41Å; V157-V263 HydrophobicContact CG2-CB 4.01Å; V157-V263 HydrophobicContact CG2-CG1 4.35Å; V157-V263 HydrophobicContact CG2-CG2 4.25Å; V157-T275 HydrophobicContact CG2-CG2 3.81Å; V157-Y276 PolarHBondContact N-O 2.99Å; V157-L277 HydrophobicContact CB-CD2 3.74Å; V157-L277 HydrophobicContact CG1-CD2 4.18Å; V157-L277 HydrophobicContact CG2-CD2 4.1Å; V157-V278 PolarHBondContact O-N 2.84Å
158	L	98.4	Very high	93	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	126.1	176.3	-53.8	178.2	0	0	0	109.2	L147 V156 P160 L171 L175 P183 P237 V238 E239 F240 V278 I280	L147-L158 HydrophobicContact CD1-CD2 3.81Å; L147-L158 HydrophobicContact CD2-CD2 4.41Å; V156-L158 HydrophobicContact CG1-CD2 3.63Å; V156-L158 HydrophobicContact CG1-CG 4.32Å; L158-P160 VanDerWaalsContact C-CD 3.45Å; L158-P160 WeakPolarHBondContact O-CD 3.35Å; L158-L171 HydrophobicContact CB-CD1 4.28Å; L158-L171 HydrophobicContact CD1-CD1 4.3Å; L158-L175 HydrophobicContact CD1-CD2 3.75Å; L158-P183 HydrophobicContact CD1-CB 3.91Å; L158-P183 HydrophobicContact CD1-CG 4.16Å; L158-P237 HydrophobicContact CD1-CB 4Å; L158-P237 HydrophobicContact CG-CB 4Å; L158-V238 PolarHBondContact N-O 2.99Å; L158-E239 HydrophobicContact CB-CB 4.26Å; L158-E239 HydrophobicContact CB-CG 4.34Å; L158-E239 WeakPolarHBondContact O-CA 3.5Å; L158-F240 PolarHBondContact O-N 3.48Å; L158-V278 HydrophobicContact CD2-CB 4.14Å; L158-V278 HydrophobicContact CD2-CG2 4.39Å; L158-I280 HydrophobicContact CB-CD1 3.93Å; L158-I280 HydrophobicContact CD2-CD1 4.06Å; L158-I280 HydrophobicContact CG-CD1 4.45Å
159	L	98.1	Very high	92.8	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	80.3	-177.5	-59.2	175.3	0	0	0	109.1	V157 F240 L242 L277 V278 I280 M373 Q377	V157-L159 HydrophobicContact CG1-CD2 3.68Å; V157-L159 HydrophobicContact CG1-CG 4.08Å; L159-F240 HydrophobicContact CD2-CD1 4.19Å; L159-F240 HydrophobicContact CD2-CD2 4.19Å; L159-F240 HydrophobicContact CD2-CE1 3.73Å; L159-F240 HydrophobicContact CD2-CE2 3.72Å; L159-F240 HydrophobicContact CD2-CG 4.4Å; L159-F240 HydrophobicContact CD2-CZ 3.46Å; L159-F240 VanDerWaalsContact CD2-CZ 3.46Å; L159-L242 HydrophobicContact CD1-CD1 4Å; L159-L242 HydrophobicContact CD2-CD1 3.73Å; L159-L242 HydrophobicContact CG-CD1 4.36Å; L159-L277 HydrophobicContact CD1-CB 4.06Å; L159-L277 HydrophobicContact CD1-CD1 4.45Å; L159-V278 PolarHBondContact N-O 3.31Å; L159-I280 PolarHBondContact O-N 3.36Å; L159-M373 HydrophobicContact CD1-CB 4.07Å; L159-M373 HydrophobicContact CD1-CG 3.69Å; L159-M373 HydrophobicContact CD1-SD 4.28Å; L159-Q377 PolarHBondContact O-NE2 2.96Å
160	P	97.5	Very high	92.9	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	151.3	172.5	27.1	-32.2	0	0	0	113.6	L158 L171 E239 F241 I280 I282 Q377	L158-P160 VanDerWaalsContact C-CD 3.45Å; L158-P160 WeakPolarHBondContact O-CD 3.35Å; P160-L171 HydrophobicContact CB-CD1 3.96Å; P160-L171 HydrophobicContact CG-CD1 3.82Å; P160-E239 HydrophobicContact CG-CG 4.06Å; P160-F241 HydrophobicContact CB-CD1 4.22Å; P160-F241 HydrophobicContact CB-CE1 3.95Å; P160-F241 HydrophobicContact CG-CD1 3.72Å; P160-F241 HydrophobicContact CG-CE1 3.5Å; P160-F241 VanDerWaalsContact CG-CE1 3.5Å; P160-F241 HydrophobicContact CG-CZ 4.1Å; P160-I280 CarbonylContact C-O 3.57Å; P160-I280 VanDerWaalsContact CA-O 3.32Å; P160-I280 WeakPolarHBondContact CA-O 3.39Å; P160-I280 HydrophobicContact CB-CB 4.35Å; P160-I282 HydrophobicContact CB-CD1 4.01Å; P160-Q377 VanDerWaalsContact C-NE2 3.3Å; P160-Q377 PolarHBondContact O-NE2 3.34Å
161	S	95.4	Very high	93	Very high	4 Å²	4	19 Å²	19	3%	0.028	9%	0.088	C	C	.	.			trans	-66.4	151.5	160.2	59.9	0	0	0	0	110.8	I280 I282	S161-I280 PolarHBondContact N-O 2.79Å; S161-I282 PolarHBondContact OG-N 3.37Å
162	H	93.1	Very high	93.2	Very high	5 Å²	5	19.2 Å²	19.2	2%	0.023	9%	0.091	C	C	.	.			trans	-120.2	107.1	-175.4	-149.2	166.6	0	0	0	112.7	D167 F168 F241 E243 R246 S247	H162-D167 IonicContact CD2-OD2 2.69Å; H162-D167 PolarHBondContact CD2-OD2 2.96Å; H162-F168 AromaticContact CE1-CE2 3.46Å; H162-F168 VanDerWaalsContact CE1-CE2 3.46Å; H162-F168 WeakPolarHBondContact CE1-CE2 2.9Å; H162-F168 AromaticContact CE1-CZ 3.38Å; H162-F168 WeakPolarHBondContact CE1-CZ 3.43Å; H162-F168 AromaticContact NE2-CD2 3.78Å; H162-F168 AromaticContact NE2-CE2 3.18Å; H162-F168 WeakPolarHBondContact NE2-CE2 3.24Å; H162-F168 AromaticContact NE2-CZ 3.63Å; H162-F241 HydrophobicContact CB-CB 4.03Å; H162-F241 HydrophobicContact CB-CD1 3.39Å; H162-F241 HydrophobicContact CB-CE1 4.04Å; H162-F241 HydrophobicContact CB-CG 3.87Å; H162-F241 AromaticContact CD2-CD1 3.8Å; H162-F241 AromaticContact CD2-CE1 3.65Å; H162-F241 AromaticContact CD2-CZ 3.97Å; H162-F241 AromaticContact CE1-CD1 3.95Å; H162-F241 AromaticContact CE1-CD2 3.35Å; H162-F241 WeakPolarHBondContact CE1-CD2 3.47Å; H162-F241 AromaticContact CE1-CE2 3.56Å; H162-F241 AromaticContact CE1-CG 3.57Å; H162-F241 AromaticContact CE1-CZ 3.92Å; H162-F241 AromaticContact CG-CD1 3.26Å; H162-F241 AromaticContact CG-CE1 3.63Å; H162-F241 AromaticContact CG-CG 3.5Å; H162-F241 WeakPolarHBondContact ND1-CB 3.28Å; H162-F241 AromaticContact ND1-CD1 3.38Å; H162-F241 WeakPolarHBondContact ND1-CD1 3.39Å; H162-F241 AromaticContact ND1-CD2 3.36Å; H162-F241 WeakPolarHBondContact ND1-CD2 3.35Å; H162-F241 AromaticContact ND1-CE1 3.92Å; H162-F241 AromaticContact ND1-CE2 3.94Å; H162-F241 AromaticContact ND1-CG 3.05Å; H162-F241 WeakPolarHBondContact ND1-CG 3.2Å; H162-F241 AromaticContact NE2-CE2 3.93Å; H162-F241 AromaticContact NE2-CZ 3.87Å; H162-E243 PolarHBondContact N-OE1 3.16Å; H162-R246 HydrophobicContact CB-CG 4.36Å; H162-R246 WeakPolarHBondContact CD2-CG 3.5Å; H162-R246 WeakPolarHBondContact NE2-CD 3.24Å; H162-R246 WeakPolarHBondContact NE2-CG 3.37Å; H162-S247 PolarHBondContact O-N 2.78Å; H162-S247 VanDerWaalsContact O-N 3.12Å
163	R	90.6	Very high	93.4	Very high	20 Å²	20	16 Å²	16	8%	0.075	8%	0.076	C	C	.	.			trans	-125.7	-40.9	-175.4	-55.9	-62.7	173.2	-114.2	2.5	112.7	D167 E243 S247 T252 Y284 Y293	R163-D167 PolarHBondContact N-OD2 3.46Å; R163-E243 IonicContact CZ-OE1 3.82Å; R163-E243 IonicContact CZ-OE2 3.12Å; R163-E243 VanDerWaalsContact NH1-CD 3.28Å; R163-E243 IonicContact NH1-OE1 3.25Å; R163-E243 PolarHBondContact NH1-OE1 3.33Å; R163-E243 IonicContact NH1-OE2 2.67Å; R163-E243 PolarHBondContact NH1-OE2 3.14Å; R163-E243 IonicContact NH2-OE1 3.01Å; R163-E243 IonicContact NH2-OE2 2.83Å; R163-S247 VanDerWaalsContact NH1-CB 3.32Å; R163-T252 PolarHBondContact NH2-OG1 3.12Å; R163-Y284 HydrophobicContact CB-CD2 4.24Å; R163-Y284 HydrophobicContact CB-CE2 4.19Å; R163-Y293 WeakPolarHBondContact O-CE2 3.49Å; R163-Y293 PolarHBondContact O-OH 2.95Å
164	S	90.6	Very high	93.7	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	5%	0.053	C	C	.	.	S	Bend	trans	-124.7	161.5	-174.6	-177	0	0	0	0	112.9	I166 D167 E289	S164-I166 PolarHBondContact O-N 2.82Å; S164-I166 PolarHBondContact OG-N 3.24Å; S164-D167 PolarHBondContact N-OD2 2.85Å; S164-D167 PolarHBondContact O-N 3.42Å; S164-E289 WeakPolarHBondContact CB-OE2 3.29Å; S164-E289 VanDerWaalsContact OG-CD 3.28Å; S164-E289 PolarHBondContact OG-OE1 3.37Å; S164-E289 PolarHBondContact OG-OE2 2.88Å
165	Y	84.8	Confident	93.9	Very high	57 Å²	57	9.8 Å²	9.8	22%	0.224	5%	0.047	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-25.9	170.2	-78.9	-74.6	0	0	0	112.1	D167 R246 E289 L292 K302 E305	Y165-D167 VanDerWaalsContact C-N 3.3Å; Y165-D167 PolarHBondContact O-N 3.31Å; Y165-R246 VanDerWaalsContact CZ-CZ 3.41Å; Y165-R246 PolarHBondContact OH-NH1 3.39Å; Y165-R246 PolarHBondContact OH-NH2 3.39Å; Y165-R246 VanDerWaalsContact OH-NH2 3.1Å; Y165-E289 VanDerWaalsContact CB-OE1 3.29Å; Y165-E289 WeakPolarHBondContact CB-OE1 3.3Å; Y165-E289 HydrophobicContact CD2-CG 3.42Å; Y165-E289 VanDerWaalsContact CD2-CG 3.42Å; Y165-E289 WeakPolarHBondContact CD2-OE1 3.44Å; Y165-E289 HydrophobicContact CE2-CG 3.79Å; Y165-E289 PolarHBondContact N-OE1 3.44Å; Y165-L292 HydrophobicContact CE2-CD2 4.37Å; Y165-K302 WeakPolarHBondContact OH-CE 3.28Å; Y165-K302 PolarHBondContact OH-NZ 3.25Å; Y165-E305 WeakPolarHBondContact CE1-OE1 3.31Å
166	I	89.3	Confident	94	Very high	26 Å²	26	9.7 Å²	9.7	13%	0.133	5%	0.046	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78	-15.3	-176.4	77.1	176	0	0	0	113.1	F130 F134 S164 F168 L169 M170 Y284 L288 I324	F130-I166 HydrophobicContact CE1-CD1 4.23Å; F134-I166 HydrophobicContact CE2-CD1 3.69Å; F134-I166 HydrophobicContact CZ-CD1 3.59Å; S164-I166 PolarHBondContact O-N 2.82Å; S164-I166 PolarHBondContact OG-N 3.24Å; I166-F168 PolarHBondContact O-N 3.38Å; I166-L169 PolarHBondContact O-N 2.93Å; I166-M170 HydrophobicContact CD1-CE 3.69Å; I166-M170 HydrophobicContact CG1-CE 4.09Å; I166-M170 PolarHBondContact O-N 3.1Å; I166-Y284 HydrophobicContact CD1-CE1 3.79Å; I166-Y284 HydrophobicContact CG1-CE1 4.17Å; I166-Y284 VanDerWaalsContact CG1-OH 3.25Å; I166-Y284 WeakPolarHBondContact CG1-OH 3.29Å; I166-L288 HydrophobicContact CD1-CD1 4.34Å; I166-L288 HydrophobicContact CG2-CD1 4.45Å; I166-L288 HydrophobicContact CG2-CD2 4.37Å; I166-I324 HydrophobicContact CD1-CD1 4.16Å
167	D	91.5	Very high	94	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-53.7	-41	-179.5	-65.5	-19.6	0	0	0	111.2	H162 R163 S164 Y165 L169 M170 F241 I282 Y284	H162-D167 IonicContact CD2-OD2 2.69Å; H162-D167 PolarHBondContact CD2-OD2 2.96Å; R163-D167 PolarHBondContact N-OD2 3.46Å; S164-D167 PolarHBondContact N-OD2 2.85Å; S164-D167 PolarHBondContact O-N 3.42Å; Y165-D167 VanDerWaalsContact C-N 3.3Å; Y165-D167 PolarHBondContact O-N 3.31Å; D167-L169 PolarHBondContact O-N 3.49Å; D167-L169 VanDerWaalsContact O-N 3.07Å; D167-M170 WeakPolarHBondContact O-CB 3.4Å; D167-M170 PolarHBondContact O-N 3Å; D167-M170 VanDerWaalsContact O-N 3.1Å; D167-F241 HydrophobicContact CB-CE1 3.84Å; D167-F241 HydrophobicContact CB-CZ 3.93Å; D167-I282 HydrophobicContact CB-CD1 4.14Å; D167-Y284 WeakPolarHBondContact OD1-CE2 3.32Å; D167-Y284 VanDerWaalsContact OD1-CZ 3.32Å; D167-Y284 PolarHBondContact OD1-OH 2.86Å
168	F	83.4	Confident	93.9	Very high	29 Å²	29	12.2 Å²	12.2	13%	0.127	6%	0.056	C	C	.	.	H	α-helix	trans	-54.6	-26.5	176.9	-75.7	-80.2	0	0	0	114.5	H162 I166 I185 F191 F241	H162-F168 AromaticContact CE1-CE2 3.46Å; H162-F168 VanDerWaalsContact CE1-CE2 3.46Å; H162-F168 WeakPolarHBondContact CE1-CE2 2.9Å; H162-F168 AromaticContact CE1-CZ 3.38Å; H162-F168 WeakPolarHBondContact CE1-CZ 3.43Å; H162-F168 AromaticContact NE2-CD2 3.78Å; H162-F168 AromaticContact NE2-CE2 3.18Å; H162-F168 WeakPolarHBondContact NE2-CE2 3.24Å; H162-F168 AromaticContact NE2-CZ 3.63Å; I166-F168 PolarHBondContact O-N 3.38Å; F168-I185 HydrophobicContact CD1-CG2 4.17Å; F168-I185 WeakPolarHBondContact O-CD1 3.47Å; F168-F191 HydrophobicContact CD2-CZ 4.42Å; F168-F191 HydrophobicContact CE1-CE2 4.42Å; F168-F191 HydrophobicContact CE2-CE2 4.3Å; F168-F191 HydrophobicContact CE2-CZ 4.03Å; F168-F191 HydrophobicContact CZ-CE2 4.07Å; F168-F191 HydrophobicContact CZ-CZ 4.28Å; F168-F241 AromaticContact CD1-CE2 3.59Å; F168-F241 HydrophobicContact CD1-CE2 3.59Å; F168-F241 HydrophobicContact CD1-CZ 4.22Å; F168-F241 HydrophobicContact CE1-CD2 4.12Å; F168-F241 AromaticContact CE1-CE2 3.5Å; F168-F241 HydrophobicContact CE1-CE2 3.5Å; F168-F241 HydrophobicContact CE1-CZ 4.44Å; F168-F241 HydrophobicContact CE2-CE2 4.46Å; F168-F241 HydrophobicContact CG-CE2 4.13Å; F168-F241 HydrophobicContact CG-CZ 4.34Å; F168-F241 HydrophobicContact CZ-CD2 4.42Å; F168-F241 AromaticContact CZ-CE2 3.98Å; F168-F241 HydrophobicContact CZ-CE2 3.98Å
169	L	91.4	Very high	93.7	Very high	36 Å²	36	15.4 Å²	15.4	19%	0.188	7%	0.073	C	C	.	.	H	α-helix	trans	-112	-12.6	-179.5	-65	178.1	0	0	0	112.2	F122 L126 I166 D167 S172 F173 L201	F122-L169 HydrophobicContact CD1-CD1 4.19Å; F122-L169 HydrophobicContact CE1-CD1 3.96Å; L126-L169 HydrophobicContact CD1-CB 3.88Å; L126-L169 HydrophobicContact CD1-CD1 4.36Å; L126-L169 HydrophobicContact CD2-CD1 4.2Å; I166-L169 PolarHBondContact O-N 2.93Å; D167-L169 PolarHBondContact O-N 3.49Å; D167-L169 VanDerWaalsContact O-N 3.07Å; L169-S172 PolarHBondContact O-N 3.04Å; L169-F173 WeakPolarHBondContact O-CB 3.37Å; L169-F173 PolarHBondContact O-N 2.81Å; L169-L201 HydrophobicContact CD2-CD2 3.87Å
170	M	95.4	Very high	93.6	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-62.6	-52.2	-176.6	-173.7	56	63.7	0	0	111.1	F130 V137 I166 D167 S172 F173 I174 I324 V326	F130-M170 HydrophobicContact CE1-CE 4.14Å; F130-M170 HydrophobicContact CE2-CE 3.8Å; F130-M170 HydrophobicContact CE2-SD 4.01Å; F130-M170 HydrophobicContact CZ-CE 3.53Å; F130-M170 HydrophobicContact CZ-SD 4.29Å; V137-M170 HydrophobicContact CG1-SD 4.31Å; I166-M170 HydrophobicContact CD1-CE 3.69Å; I166-M170 HydrophobicContact CG1-CE 4.09Å; I166-M170 PolarHBondContact O-N 3.1Å; D167-M170 WeakPolarHBondContact O-CB 3.4Å; D167-M170 PolarHBondContact O-N 3Å; D167-M170 VanDerWaalsContact O-N 3.1Å; M170-S172 VanDerWaalsContact C-N 3.34Å; M170-S172 PolarHBondContact O-N 3.32Å; M170-F173 PolarHBondContact O-N 2.77Å; M170-I174 HydrophobicContact CG-CD1 3.87Å; M170-I174 WeakPolarHBondContact O-CG1 3.39Å; M170-I174 PolarHBondContact O-N 3.05Å; M170-I174 HydrophobicContact SD-CD1 4Å; M170-I174 HydrophobicContact SD-CG1 4.37Å; M170-I324 HydrophobicContact CE-CD1 3.5Å; M170-V326 HydrophobicContact CG-CG2 4.19Å
171	L	96.4	Very high	93.4	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-65.5	-39	-179.9	-61.6	-164	0	0	0	112	L158 P160 F173 I174 L175 E239 I280 I282 V326 F328	L158-L171 HydrophobicContact CB-CD1 4.28Å; L158-L171 HydrophobicContact CD1-CD1 4.3Å; P160-L171 HydrophobicContact CB-CD1 3.96Å; P160-L171 HydrophobicContact CG-CD1 3.82Å; L171-F173 VanDerWaalsContact C-N 3.31Å; L171-F173 PolarHBondContact O-N 2.82Å; L171-I174 PolarHBondContact O-N 3.04Å; L171-L175 WeakPolarHBondContact O-CB 3.29Å; L171-L175 WeakPolarHBondContact O-CD1 3.33Å; L171-L175 PolarHBondContact O-N 2.67Å; L171-E239 HydrophobicContact CD1-CG 4.26Å; L171-I280 HydrophobicContact CD1-CD1 3.57Å; L171-I280 HydrophobicContact CD2-CD1 4.4Å; L171-I280 HydrophobicContact CD2-CG2 4.04Å; L171-I282 HydrophobicContact CD2-CD1 4.46Å; L171-V326 HydrophobicContact CD2-CG1 4.14Å; L171-F328 HydrophobicContact CD2-CE1 4.41Å; L171-F328 HydrophobicContact CD2-CZ 3.98Å
172	S	96.6	Very high	93.3	Very high	14 Å²	14	16 Å²	16	10%	0.098	8%	0.077	C	C	.	.	H	α-helix	trans	-59.3	-42	174.2	-71.5	0	0	0	0	112.3	L169 M170 Y176	L169-S172 PolarHBondContact O-N 3.04Å; M170-S172 VanDerWaalsContact C-N 3.34Å; M170-S172 PolarHBondContact O-N 3.32Å; S172-Y176 VanDerWaalsContact O-CB 3.29Å; S172-Y176 WeakPolarHBondContact O-CB 3.41Å; S172-Y176 PolarHBondContact O-N 2.78Å
173	F	96.9	Very high	93.5	Very high	4 Å²	4	15.8 Å²	15.8	2%	0.018	8%	0.075	C	C	.	.	H	α-helix	trans	-65.5	-46.1	176.3	178	-99.6	0	0	0	112	I38 L39 F50 L126 F130 L169 M170 L171 Y176 N177	I38-F173 HydrophobicContact CD1-CD1 4.07Å; I38-F173 HydrophobicContact CD1-CE1 3.72Å; L39-F173 HydrophobicContact CD2-CE1 4.42Å; L39-F173 HydrophobicContact CD2-CZ 4.49Å; F50-F173 AromaticContact CE1-CE2 3.79Å; F50-F173 HydrophobicContact CE1-CE2 3.79Å; F50-F173 HydrophobicContact CE1-CZ 4.38Å; F50-F173 HydrophobicContact CZ-CE2 4.07Å; F50-F173 HydrophobicContact CZ-CZ 4.4Å; L126-F173 HydrophobicContact CB-CD2 3.81Å; L126-F173 HydrophobicContact CB-CE2 4.22Å; L126-F173 HydrophobicContact CB-CG 4.5Å; L126-F173 HydrophobicContact CD1-CB 4.22Å; L126-F173 HydrophobicContact CD1-CD2 4.45Å; F130-F173 AromaticContact CD2-CD1 3.78Å; F130-F173 HydrophobicContact CD2-CD1 3.78Å; F130-F173 HydrophobicContact CD2-CD2 4.49Å; F130-F173 AromaticContact CD2-CE1 3.76Å; F130-F173 HydrophobicContact CD2-CE1 3.76Å; F130-F173 HydrophobicContact CD2-CE2 4.47Å; F130-F173 HydrophobicContact CD2-CG 4.16Å; F130-F173 HydrophobicContact CD2-CZ 4.12Å; F130-F173 HydrophobicContact CE2-CB 4.14Å; F130-F173 AromaticContact CE2-CD1 3.69Å; F130-F173 HydrophobicContact CE2-CD1 3.69Å; F130-F173 HydrophobicContact CE2-CD2 4.38Å; F130-F173 HydrophobicContact CE2-CE1 4.17Å; F130-F173 AromaticContact CE2-CG 3.81Å; F130-F173 HydrophobicContact CE2-CG 3.81Å; L169-F173 WeakPolarHBondContact O-CB 3.37Å; L169-F173 PolarHBondContact O-N 2.81Å; M170-F173 PolarHBondContact O-N 2.77Å; L171-F173 VanDerWaalsContact C-N 3.31Å; L171-F173 PolarHBondContact O-N 2.82Å; F173-Y176 PolarHBondContact O-N 3.18Å; F173-N177 PolarHBondContact O-N 3.12Å
174	I	97.5	Very high	93.7	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-63.5	-49.9	179.4	-67.9	169	0	0	0	110.9	I38 V139 I144 M170 L171 Y176 N177 Y178 V326 F328	I38-I174 HydrophobicContact CD1-CG1 3.94Å; V139-I174 HydrophobicContact CG1-CG2 4.23Å; V139-I174 HydrophobicContact CG2-CD1 3.96Å; V139-I174 HydrophobicContact CG2-CG1 4.2Å; V139-I174 HydrophobicContact CG2-CG2 4.17Å; I144-I174 HydrophobicContact CD1-CG2 4.1Å; M170-I174 HydrophobicContact CG-CD1 3.87Å; M170-I174 WeakPolarHBondContact O-CG1 3.39Å; M170-I174 PolarHBondContact O-N 3.05Å; M170-I174 HydrophobicContact SD-CD1 4Å; M170-I174 HydrophobicContact SD-CG1 4.37Å; L171-I174 PolarHBondContact O-N 3.04Å; I174-Y176 VanDerWaalsContact C-N 3.29Å; I174-Y176 PolarHBondContact O-N 3.41Å; I174-N177 WeakPolarHBondContact O-CA 3.44Å; I174-N177 VanDerWaalsContact O-CB 3.28Å; I174-N177 WeakPolarHBondContact O-CB 3.34Å; I174-N177 PolarHBondContact O-N 3.17Å; I174-Y178 HydrophobicContact CG2-CD2 3.79Å; I174-Y178 HydrophobicContact CG2-CE2 3.8Å; I174-Y178 VanDerWaalsContact O-CD2 3.24Å; I174-Y178 WeakPolarHBondContact O-CD2 3.42Å; I174-Y178 PolarHBondContact O-N 3.09Å; I174-Y178 VanDerWaalsContact O-N 3.08Å; I174-V326 HydrophobicContact CD1-CB 3.9Å; I174-V326 HydrophobicContact CD1-CG1 3.88Å; I174-V326 HydrophobicContact CD1-CG2 3.65Å; I174-F328 HydrophobicContact CG2-CE2 3.93Å; I174-F328 HydrophobicContact CG2-CZ 3.94Å
175	L	96.9	Very high	93.9	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-63	-37.7	180	-88.3	53.1	0	0	0	111.2	L147 L158 L171 Y178 D179 L180 P183 F328	L147-L175 HydrophobicContact CD2-CD1 4.12Å; L147-L175 HydrophobicContact CD2-CG 4.47Å; L158-L175 HydrophobicContact CD1-CD2 3.75Å; L171-L175 WeakPolarHBondContact O-CB 3.29Å; L171-L175 WeakPolarHBondContact O-CD1 3.33Å; L171-L175 PolarHBondContact O-N 2.67Å; L175-Y178 PolarHBondContact O-N 3.28Å; L175-D179 PolarHBondContact O-N 3.26Å; L175-L180 HydrophobicContact CB-CB 4.05Å; L175-L180 HydrophobicContact CG-CB 3.99Å; L175-L180 HydrophobicContact CG-CD1 4.27Å; L175-L180 PolarHBondContact O-N 3.18Å; L175-P183 HydrophobicContact CD2-CG 4.35Å; L175-F328 HydrophobicContact CD1-CE1 3.96Å; L175-F328 HydrophobicContact CD1-CZ 3.85Å
176	Y	96.8	Very high	94.3	Very high	3 Å²	3	13 Å²	13	1%	0.012	7%	0.067	C	C	.	.	H	α-helix	trans	-63.3	-39.9	171.3	-171.6	-98.1	0	0	0	112.2	F50 A51 K53 Y55 I119 A123 S172 F173 I174 Y178 D179 V182	F50-Y176 HydrophobicContact CE1-CD1 4.19Å; F50-Y176 HydrophobicContact CE1-CE1 4.34Å; F50-Y176 HydrophobicContact CE2-CD1 4.29Å; F50-Y176 HydrophobicContact CE2-CE1 4.47Å; F50-Y176 AromaticContact CZ-CD1 3.78Å; F50-Y176 HydrophobicContact CZ-CD1 3.78Å; F50-Y176 HydrophobicContact CZ-CE1 4.19Å; A51-Y176 PolarHBondContact O-OH 2.69Å; K53-Y176 WeakPolarHBondContact CE-O 3.32Å; K53-Y176 HydrophobicContact CG-CE1 4.37Å; K53-Y176 PolarHBondContact NZ-O 2.94Å; Y55-Y176 HydrophobicContact CD1-CE2 4.24Å; Y55-Y176 AromaticContact CD2-CD2 3.83Å; Y55-Y176 HydrophobicContact CD2-CD2 3.83Å; Y55-Y176 AromaticContact CD2-CE2 3.73Å; Y55-Y176 HydrophobicContact CD2-CE2 3.73Å; Y55-Y176 AromaticContact CE2-CD2 3.76Å; Y55-Y176 HydrophobicContact CE2-CD2 3.76Å; Y55-Y176 HydrophobicContact CE2-CE2 4.12Å; Y55-Y176 HydrophobicContact CG-CD2 4.27Å; Y55-Y176 AromaticContact CG-CE2 3.78Å; Y55-Y176 HydrophobicContact CG-CE2 3.78Å; I119-Y176 HydrophobicContact CG2-CD2 3.62Å; I119-Y176 HydrophobicContact CG2-CE2 3.89Å; I119-Y176 HydrophobicContact CG2-CG 4.36Å; A123-Y176 HydrophobicContact CB-CD1 3.56Å; A123-Y176 HydrophobicContact CB-CE1 3.5Å; A123-Y176 VanDerWaalsContact CB-CE1 3.5Å; A123-Y176 HydrophobicContact CB-CG 4.34Å; S172-Y176 VanDerWaalsContact O-CB 3.29Å; S172-Y176 WeakPolarHBondContact O-CB 3.41Å; S172-Y176 PolarHBondContact O-N 2.78Å; F173-Y176 PolarHBondContact O-N 3.18Å; I174-Y176 VanDerWaalsContact C-N 3.29Å; I174-Y176 PolarHBondContact O-N 3.41Å; Y176-Y178 VanDerWaalsContact C-N 3.31Å; Y176-Y178 PolarHBondContact O-N 2.94Å; Y176-D179 PolarHBondContact O-N 3.46Å; Y176-V182 HydrophobicContact CD2-CG2 4.34Å
177	N	95.9	Very high	94.4	Very high	14 Å²	14	12 Å²	12	8%	0.075	6%	0.062	C	C	.	.	H	α-helix	trans	-57.3	-44.1	176.4	-174.5	74.6	0	0	0	111.8	R42 F50 K53 F173 I174 D179	R42-N177 PolarHBondContact NE-OD1 3.11Å; F50-N177 HydrophobicContact CE2-CB 4.34Å; F50-N177 HydrophobicContact CZ-CB 4.38Å; K53-N177 PolarHBondContact NZ-O 3.33Å; F173-N177 PolarHBondContact O-N 3.12Å; I174-N177 WeakPolarHBondContact O-CA 3.44Å; I174-N177 VanDerWaalsContact O-CB 3.28Å; I174-N177 WeakPolarHBondContact O-CB 3.34Å; I174-N177 PolarHBondContact O-N 3.17Å; N177-D179 PolarHBondContact O-N 2.89Å
178	Y	95.4	Very high	94.1	Very high	45 Å²	45	13 Å²	13	18%	0.176	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	11.1	-179.3	-67.8	-74.5	0	0	0	115.3	E36 I38 V139 I144 I174 L175 Y176 L180	E36-Y178 PolarHBondContact OE2-OH 3.09Å; E36-Y178 VanDerWaalsContact OE2-OH 3.05Å; I38-Y178 HydrophobicContact CG2-CE2 3.98Å; I38-Y178 VanDerWaalsContact CG2-OH 3.26Å; I38-Y178 WeakPolarHBondContact CG2-OH 3.37Å; V139-Y178 HydrophobicContact CB-CE2 4.33Å; V139-Y178 HydrophobicContact CG1-CE2 4.11Å; I144-Y178 HydrophobicContact CD1-CD2 3.87Å; I144-Y178 HydrophobicContact CD1-CE2 3.98Å; I144-Y178 HydrophobicContact CG1-CD2 4.08Å; I144-Y178 HydrophobicContact CG1-CE2 3.86Å; I144-Y178 HydrophobicContact CG2-CD1 3.87Å; I144-Y178 HydrophobicContact CG2-CD2 4.13Å; I144-Y178 HydrophobicContact CG2-CE1 4.27Å; I144-Y178 HydrophobicContact CG2-CG 3.78Å; I174-Y178 HydrophobicContact CG2-CD2 3.79Å; I174-Y178 HydrophobicContact CG2-CE2 3.8Å; I174-Y178 VanDerWaalsContact O-CD2 3.24Å; I174-Y178 WeakPolarHBondContact O-CD2 3.42Å; I174-Y178 PolarHBondContact O-N 3.09Å; I174-Y178 VanDerWaalsContact O-N 3.08Å; L175-Y178 PolarHBondContact O-N 3.28Å; Y176-Y178 VanDerWaalsContact C-N 3.31Å; Y176-Y178 PolarHBondContact O-N 2.94Å; Y178-L180 PolarHBondContact O-N 3.29Å
179	D	94.9	Very high	93.9	Very high	66 Å²	66	14.3 Å²	14.3	35%	0.353	8%	0.08	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.6	32.3	-178.9	-66	-61.4	0	0	0	113.8	K53 P57 L175 Y176 N177	K53-D179 WeakPolarHBondContact CE-OD1 3.29Å; K53-D179 IonicContact NZ-OD1 2.99Å; K53-D179 PolarHBondContact NZ-OD1 3.48Å; K53-D179 IonicContact NZ-OD2 3.06Å; K53-D179 PolarHBondContact NZ-OD2 2.95Å; P57-D179 WeakPolarHBondContact CA-O 3.46Å; P57-D179 VanDerWaalsContact CB-O 3.29Å; P57-D179 WeakPolarHBondContact CB-O 3.26Å; L175-D179 PolarHBondContact O-N 3.26Å; Y176-D179 PolarHBondContact O-N 3.46Å; N177-D179 PolarHBondContact O-N 2.89Å
180	L	94.6	Very high	92.9	Very high	8 Å²	8	15.8 Å²	15.8	4%	0.042	9%	0.088	C	C	.	.	P	Polyproline II helix	trans	-94.3	155	172.3	-61	-177.9	0	0	0	110.9	Y55 I144 L147 Q148 L175 Y178 V182	Y55-L180 WeakPolarHBondContact CE2-O 3.5Å; Y55-L180 PolarHBondContact OH-O 3.43Å; I144-L180 HydrophobicContact CG2-CD1 4.29Å; L147-L180 HydrophobicContact CD2-CD1 3.98Å; L147-L180 HydrophobicContact CG-CD1 4.3Å; Q148-L180 HydrophobicContact CB-CD2 3.89Å; Q148-L180 HydrophobicContact CG-CD2 3.76Å; L175-L180 HydrophobicContact CB-CB 4.05Å; L175-L180 HydrophobicContact CG-CB 3.99Å; L175-L180 HydrophobicContact CG-CD1 4.27Å; L175-L180 PolarHBondContact O-N 3.18Å; Y178-L180 PolarHBondContact O-N 3.29Å; L180-V182 PolarHBondContact O-N 3.49Å; L180-V182 VanDerWaalsContact O-N 3.12Å
181	P	93.2	Very high	91.6	Very high	5 Å²	5	17.3 Å²	17.3	3%	0.032	10%	0.095	C	C	.	.	P	Polyproline II helix	trans	-60.4	117.3	177.1	-16.9	27.2	0	0	0	111.5	Y55 P57 L58 V59 I151	Y55-P181 WeakPolarHBondContact OH-CA 3.43Å; P57-P181 HydrophobicContact CB-CB 4.32Å; P57-P181 HydrophobicContact CB-CG 3.82Å; P57-P181 HydrophobicContact CG-CB 4.36Å; P57-P181 HydrophobicContact CG-CG 4.26Å; L58-P181 VanDerWaalsContact O-CG 3.27Å; L58-P181 WeakPolarHBondContact O-CG 3.25Å; V59-P181 HydrophobicContact CG1-CG 4.25Å; I151-P181 HydrophobicContact CG2-CG 3.96Å
182	V	95.1	Very high	90.1	Very high	5 Å²	5	19.4 Å²	19.4	3%	0.03	11%	0.106	C	C	.	.	P	Polyproline II helix	trans	-53.3	132.5	170.3	171.7	0	0	0	0	110.1	Y55 I119 Y176 L180	Y55-V182 PolarHBondContact OH-N 3.33Å; I119-V182 HydrophobicContact CD1-CB 4.38Å; I119-V182 HydrophobicContact CD1-CG2 4.49Å; I119-V182 HydrophobicContact CG2-CG2 3.97Å; Y176-V182 HydrophobicContact CD2-CG2 4.34Å; L180-V182 PolarHBondContact O-N 3.49Å; L180-V182 VanDerWaalsContact O-N 3.12Å
183	P	95.3	Very high	88.6	Confident	0 Å²	0	22 Å²	22	0%	0	14%	0.135	C	C	.	.	P	Polyproline II helix	trans	-74.9	161.4	-174.5	30.7	-34.3	0	0	0	112.5	L158 L175 I185 P237 E239	L158-P183 HydrophobicContact CD1-CB 3.91Å; L158-P183 HydrophobicContact CD1-CG 4.16Å; L175-P183 HydrophobicContact CD2-CG 4.35Å; P183-I185 HydrophobicContact CG-CG1 4.35Å; P183-P237 CarbonylContact C-O 3.34Å; P183-P237 VanDerWaalsContact CA-O 3.25Å; P183-P237 WeakPolarHBondContact CA-O 3.35Å; P183-P237 HydrophobicContact CB-CB 4.28Å; P183-P237 WeakPolarHBondContact CB-O 3.19Å; P183-E239 HydrophobicContact CB-CB 3.9Å; P183-E239 HydrophobicContact CG-CB 4.27Å; P183-E239 WeakPolarHBondContact CG-OE2 3.18Å
184	V	95.3	Very high	87.6	Confident	0 Å²	0	23.4 Å²	23.4	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	130.5	162.9	-71.9	0	0	0	0	110.3	G205 F207 M230 Y235 A236 P237 V238 E239	V184-G205 CarbonylContact C-O 3.43Å; V184-G205 VanDerWaalsContact CA-O 3.23Å; V184-G205 WeakPolarHBondContact CA-O 3.43Å; V184-G205 WeakPolarHBondContact CB-O 3.42Å; V184-F207 HydrophobicContact CB-CD1 4.26Å; V184-F207 HydrophobicContact CB-CE1 4.41Å; V184-F207 HydrophobicContact CG2-CE1 4.48Å; V184-M230 HydrophobicContact CB-SD 4.28Å; V184-M230 HydrophobicContact CG2-CE 4.3Å; V184-M230 HydrophobicContact CG2-SD 3.64Å; V184-Y235 WeakPolarHBondContact CG1-OH 3.15Å; V184-A236 HydrophobicContact CG1-CB 4.49Å; V184-P237 WeakPolarHBondContact CG2-O 3.16Å; V184-P237 PolarHBondContact N-O 3.32Å; V184-V238 HydrophobicContact CG2-CG2 4.11Å; V184-E239 PolarHBondContact O-N 3.07Å
185	I	95	Very high	86.8	Confident	9 Å²	9	32 Å²	32	5%	0.046	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	127.5	-159.6	-44.7	-179.9	0	0	0	110.1	F168 P183 A187 G205 A206 F207 E239	F168-I185 HydrophobicContact CD1-CG2 4.17Å; F168-I185 WeakPolarHBondContact O-CD1 3.47Å; P183-I185 HydrophobicContact CG-CG1 4.35Å; I185-A187 PolarHBondContact O-N 3.12Å; I185-G205 PolarHBondContact N-O 3.16Å; I185-A206 WeakPolarHBondContact O-CA 3.44Å; I185-F207 WeakPolarHBondContact O-CD1 3.36Å; I185-F207 PolarHBondContact O-N 3.08Å; I185-E239 WeakPolarHBondContact CA-O 3.46Å; I185-E239 HydrophobicContact CG1-CB 4.24Å; I185-E239 HydrophobicContact CG2-CB 4.35Å; I185-E239 HydrophobicContact CG2-CG 4.28Å
186	A	94.3	Very high	86.3	Confident	9 Å²	9	40 Å²	40	7%	0.074	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	111.3	170.9	0	0	0	0	0	109.8	F207 E239 F240 L259	A186-F207 HydrophobicContact CB-CE1 4.19Å; A186-F207 HydrophobicContact CB-CE2 3.75Å; A186-F207 HydrophobicContact CB-CZ 3.51Å; A186-F207 VanDerWaalsContact N-CE1 3.34Å; A186-E239 PolarHBondContact N-O 3.45Å; A186-F240 HydrophobicContact CB-CB 3.77Å; A186-L259 HydrophobicContact CB-CD1 3.73Å
187	A	89.8	Confident	85.7	Confident	4 Å²	4	42.5 Å²	42.5	3%	0.033	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	144.3	-178.2	0	0	0	0	0	111.7	I185 F191 A206 F207 F208 M209	I185-A187 PolarHBondContact O-N 3.12Å; A187-F191 HydrophobicContact CB-CD2 4.37Å; A187-A206 HydrophobicContact CB-CB 4.18Å; A187-F207 PolarHBondContact N-O 3.47Å; A187-F208 HydrophobicContact CB-CD1 3.91Å; A187-F208 HydrophobicContact CB-CE1 3.97Å; A187-F208 CarbonylContact O-C 3.52Å; A187-F208 VanDerWaalsContact O-CA 3.31Å; A187-F208 WeakPolarHBondContact O-CA 3.35Å; A187-M209 PolarHBondContact O-N 2.86Å
188	G	85.4	Confident	85.4	Confident	22 Å²	22	41.9 Å²	41.9	23%	0.227	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	147.9	171.4	0	0	0	0	0	111.8	D190 F191	G188-D190 PolarHBondContact O-N 3.32Å; G188-D190 VanDerWaalsContact O-N 3.07Å; G188-F191 VanDerWaalsContact O-CD2 3.31Å; G188-F191 WeakPolarHBondContact O-CD2 3.19Å
189	M	79.3	Confident	85.2	Confident	56 Å²	56	42.6 Å²	42.6	28%	0.276	24%	0.235	S	C	.	.	G	3₁₀ helix	trans	-63.2	-11.3	178.5	-80.2	-174.7	78.5	0	0	115.7	E109 F191 L192 F208 M209 R210	E109-M189 HydrophobicContact CG-CE 4.38Å; E109-M189 WeakPolarHBondContact OE1-CE 3.47Å; E109-M189 VanDerWaalsContact OE1-SD 3.39Å; M189-F191 PolarHBondContact O-N 3.25Å; M189-F191 VanDerWaalsContact O-N 3.14Å; M189-L192 HydrophobicContact CB-CD1 4.35Å; M189-L192 HydrophobicContact CE-CD1 3.73Å; M189-L192 HydrophobicContact CG-CD1 4Å; M189-L192 VanDerWaalsContact O-CB 3.32Å; M189-L192 WeakPolarHBondContact O-CB 3.2Å; M189-L192 PolarHBondContact O-N 3.49Å; M189-F208 HydrophobicContact CG-CB 4.19Å; M189-M209 WeakPolarHBondContact CG-O 3.4Å; M189-M209 PolarHBondContact N-O 3.45Å; M189-R210 HydrophobicContact CG-CG 4.47Å; M189-R210 HydrophobicContact SD-CB 4.08Å; M189-R210 HydrophobicContact SD-CG 3.17Å; M189-R210 WeakPolarHBondContact SD-CG 3.14Å
190	D	71.8	Confident	85.1	Confident	68 Å²	68	41.6 Å²	41.6	36%	0.364	23%	0.23	S	C	.	.	G	3₁₀ helix	trans	-56.9	-32.7	-179.4	-57.7	-52.4	0	0	0	112.3	G188 L192 G193 R211	G188-D190 PolarHBondContact O-N 3.32Å; G188-D190 VanDerWaalsContact O-N 3.07Å; D190-L192 VanDerWaalsContact C-N 3.27Å; D190-L192 PolarHBondContact O-N 3.19Å; D190-G193 PolarHBondContact O-N 3.45Å; D190-R211 IonicContact OD1-CZ 3.85Å; D190-R211 IonicContact OD1-NE 3.68Å; D190-R211 PolarHBondContact OD1-NE 3.34Å; D190-R211 IonicContact OD1-NH2 3.96Å; D190-R211 PolarHBondContact OD1-NH2 2.93Å; D190-R211 IonicContact OD2-CZ 2.92Å; D190-R211 IonicContact OD2-NE 3.64Å; D190-R211 PolarHBondContact OD2-NE 3.28Å; D190-R211 IonicContact OD2-NH2 3.91Å; D190-R211 PolarHBondContact OD2-NH2 3.45Å
191	F	67.6	Low	85	Confident	32 Å²	32	42.5 Å²	42.5	14%	0.14	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-69.1	-20.4	177.7	-60.2	-66.8	0	0	0	113.7	F168 A187 G188 M189 G193 M194 L201 F208	F168-F191 HydrophobicContact CD2-CZ 4.42Å; F168-F191 HydrophobicContact CE1-CE2 4.42Å; F168-F191 HydrophobicContact CE2-CE2 4.3Å; F168-F191 HydrophobicContact CE2-CZ 4.03Å; F168-F191 HydrophobicContact CZ-CE2 4.07Å; F168-F191 HydrophobicContact CZ-CZ 4.28Å; A187-F191 HydrophobicContact CB-CD2 4.37Å; G188-F191 VanDerWaalsContact O-CD2 3.31Å; G188-F191 WeakPolarHBondContact O-CD2 3.19Å; M189-F191 PolarHBondContact O-N 3.25Å; M189-F191 VanDerWaalsContact O-N 3.14Å; F191-G193 PolarHBondContact O-N 3.44Å; F191-M194 PolarHBondContact O-N 3.07Å; F191-L201 HydrophobicContact CB-CD1 4.29Å; F191-L201 HydrophobicContact CD1-CD1 4.49Å; F191-L201 HydrophobicContact CG-CD1 4.39Å; F191-F208 HydrophobicContact CB-CE1 4.03Å
192	L	63.9	Low	85	Confident	43 Å²	43	43.6 Å²	43.6	23%	0.225	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-68.4	-20.4	174.6	-68.8	176	0	0	0	112.4	M189 D190 M194 F208	M189-L192 HydrophobicContact CB-CD1 4.35Å; M189-L192 HydrophobicContact CE-CD1 3.73Å; M189-L192 HydrophobicContact CG-CD1 4Å; M189-L192 VanDerWaalsContact O-CB 3.32Å; M189-L192 WeakPolarHBondContact O-CB 3.2Å; M189-L192 PolarHBondContact O-N 3.49Å; D190-L192 VanDerWaalsContact C-N 3.27Å; D190-L192 PolarHBondContact O-N 3.19Å; L192-M194 PolarHBondContact O-N 2.88Å; L192-F208 HydrophobicContact CD1-CB 4.21Å; L192-F208 HydrophobicContact CD1-CD1 4.5Å; L192-F208 HydrophobicContact CD1-CD2 4.42Å; L192-F208 HydrophobicContact CD1-CG 4.12Å; L192-F208 HydrophobicContact CD2-CD1 4.25Å; L192-F208 HydrophobicContact CD2-CD2 3.74Å; L192-F208 HydrophobicContact CD2-CE1 4.17Å; L192-F208 HydrophobicContact CD2-CE2 3.63Å; L192-F208 HydrophobicContact CD2-CG 4.04Å; L192-F208 HydrophobicContact CD2-CZ 3.86Å; L192-F208 HydrophobicContact CG-CD1 3.99Å; L192-F208 HydrophobicContact CG-CD2 4.21Å; L192-F208 HydrophobicContact CG-CE1 4.22Å; L192-F208 HydrophobicContact CG-CE2 4.41Å; L192-F208 HydrophobicContact CG-CG 3.99Å; L192-F208 HydrophobicContact CG-CZ 4.41Å
193	G	65.3	Low	84.9	Confident	68 Å²	68	45.3 Å²	45.3	70%	0.701	25%	0.246	S	C	*	.	G	3₁₀ helix	trans	-58.3	-27	172	0	0	0	0	0	112.6	D190 F191	D190-G193 PolarHBondContact O-N 3.45Å; F191-G193 PolarHBondContact O-N 3.44Å
194	M	76.8	Confident	84.9	Confident	34 Å²	34	45.8 Å²	45.8	17%	0.167	25%	0.25	C	C	.	.	S	Bend	trans	-100.5	73	176.4	-63.4	175.9	67.6	0	0	111	F191 L192 M196 V197 G198 E305 L310	F191-M194 PolarHBondContact O-N 3.07Å; L192-M194 PolarHBondContact O-N 2.88Å; M194-M196 VanDerWaalsContact C-N 3.29Å; M194-M196 PolarHBondContact O-N 3.32Å; M194-V197 HydrophobicContact CB-CB 4.02Å; M194-V197 HydrophobicContact CB-CG2 4.49Å; M194-V197 HydrophobicContact CE-CB 4.14Å; M194-V197 HydrophobicContact CE-CG2 3.7Å; M194-V197 PolarHBondContact O-N 3.4Å; M194-G198 PolarHBondContact O-N 3.14Å; M194-E305 HydrophobicContact SD-CB 4.2Å; M194-L310 HydrophobicContact CE-CD1 4.28Å
195	K	81.3	Confident	84.8	Confident	181 Å²	181	45.8 Å²	45.8	79%	0.787	25%	0.25	S	C	*	.	H	α-helix	trans	-38.1	-48.4	-170.6	-67.2	-174.2	178.9	-177.7	0	115.9	E199	K195-E199 WeakPolarHBondContact O-CB 3.49Å; K195-E199 PolarHBondContact O-N 2.89Å
196	M	85.2	Confident	84.7	Confident	169 Å²	169	45.7 Å²	45.7	83%	0.833	25%	0.251	S	S	*	.	H	α-helix	trans	-69.4	-45	179.7	-65	-152.7	-54.1	0	0	113.2	M194 L200	M194-M196 VanDerWaalsContact C-N 3.29Å; M194-M196 PolarHBondContact O-N 3.32Å; M196-L200 WeakPolarHBondContact O-CB 3.37Å; M196-L200 PolarHBondContact O-N 3.36Å
197	V	84.9	Confident	84.7	Confident	55 Å²	55	45.3 Å²	45.3	33%	0.333	25%	0.247	S	C	.	.	H	α-helix	trans	-68.7	-43.7	179.1	176.9	0	0	0	0	110	M194 E199 L200 L201	M194-V197 HydrophobicContact CB-CB 4.02Å; M194-V197 HydrophobicContact CB-CG2 4.49Å; M194-V197 HydrophobicContact CE-CB 4.14Å; M194-V197 HydrophobicContact CE-CG2 3.7Å; M194-V197 PolarHBondContact O-N 3.4Å; V197-E199 PolarHBondContact O-N 3.35Å; V197-L200 PolarHBondContact O-N 2.92Å; V197-L201 HydrophobicContact CG1-CD1 4Å; V197-L201 HydrophobicContact CG1-CG 4.29Å; V197-L201 WeakPolarHBondContact O-CB 3.32Å; V197-L201 VanDerWaalsContact O-CG 3.28Å; V197-L201 WeakPolarHBondContact O-CG 3.25Å; V197-L201 PolarHBondContact O-N 3.38Å
198	G	88.6	Confident	84.9	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-57.5	-45.2	175.4	0	0	0	0	0	112.8	M194 L201 R202	M194-G198 PolarHBondContact O-N 3.14Å; G198-L201 PolarHBondContact O-N 3.22Å; G198-R202 WeakPolarHBondContact O-CB 3.32Å; G198-R202 PolarHBondContact O-N 3.28Å
199	E	91.9	Very high	85	Confident	60 Å²	60	46.3 Å²	46.3	28%	0.28	25%	0.246	S	C	.	.	H	α-helix	trans	-68.6	-37.1	176.8	-174.2	64.9	-172.5	0	0	112.2	K113 K195 V197 R202 M203	K113-E199 VanDerWaalsContact CD-OE1 3.28Å; K113-E199 WeakPolarHBondContact CD-OE1 3.34Å; K113-E199 IonicContact NZ-OE1 3.71Å; K113-E199 PolarHBondContact NZ-OE1 2.53Å; K113-E199 IonicContact NZ-OE2 2.77Å; K113-E199 PolarHBondContact NZ-OE2 2.89Å; K195-E199 WeakPolarHBondContact O-CB 3.49Å; K195-E199 PolarHBondContact O-N 2.89Å; V197-E199 PolarHBondContact O-N 3.35Å; E199-R202 WeakPolarHBondContact O-CB 3.35Å; E199-R202 PolarHBondContact O-N 3.05Å; E199-R202 IonicContact OE2-CZ 2.8Å; E199-R202 IonicContact OE2-NE 2.64Å; E199-R202 IonicContact OE2-NH1 3.95Å; E199-R202 PolarHBondContact OE2-NH1 3.45Å; E199-M203 HydrophobicContact CG-SD 4.35Å; E199-M203 WeakPolarHBondContact O-CB 3.33Å; E199-M203 VanDerWaalsContact O-CG 3.29Å; E199-M203 WeakPolarHBondContact O-CG 3.45Å; E199-M203 PolarHBondContact O-N 3.44Å
200	L	92	Very high	85.4	Confident	46 Å²	46	47.2 Å²	47.2	24%	0.241	25%	0.246	C	C	.	.	H	α-helix	trans	-65.2	-41.2	175.9	-173.3	69	0	0	0	111.9	A118 F121 F122 M196 V197 M203 S204	A118-L200 HydrophobicContact CB-CD1 4.01Å; F121-L200 HydrophobicContact CD1-CD1 4.15Å; F121-L200 HydrophobicContact CD1-CD2 3.74Å; F121-L200 HydrophobicContact CD1-CG 4.46Å; F121-L200 HydrophobicContact CE1-CD2 3.51Å; F122-L200 HydrophobicContact CD2-CG 4.45Å; F122-L200 HydrophobicContact CE1-CD2 4.12Å; F122-L200 HydrophobicContact CE2-CB 4.5Å; F122-L200 HydrophobicContact CE2-CD1 4.44Å; F122-L200 HydrophobicContact CE2-CD2 3.87Å; F122-L200 HydrophobicContact CE2-CG 3.57Å; F122-L200 HydrophobicContact CZ-CB 4.48Å; F122-L200 HydrophobicContact CZ-CD2 3.54Å; F122-L200 HydrophobicContact CZ-CG 3.71Å; M196-L200 WeakPolarHBondContact O-CB 3.37Å; M196-L200 PolarHBondContact O-N 3.36Å; V197-L200 PolarHBondContact O-N 2.92Å; L200-M203 PolarHBondContact O-N 3.01Å; L200-S204 PolarHBondContact O-N 3.39Å; L200-S204 PolarHBondContact O-OG 3.34Å
201	L	92.4	Very high	85.3	Confident	27 Å²	27	52.4 Å²	52.4	14%	0.141	26%	0.261	C	S	.	.	H	α-helix	trans	-62.1	-43.4	172.1	-70.8	172.9	0	0	0	111	F122 L169 F191 V197 G198 M203 S204 G205 A206	F122-L201 HydrophobicContact CE2-CD2 4.36Å; F122-L201 HydrophobicContact CZ-CD2 3.87Å; F122-L201 HydrophobicContact CZ-CG 4.49Å; L169-L201 HydrophobicContact CD2-CD2 3.87Å; F191-L201 HydrophobicContact CB-CD1 4.29Å; F191-L201 HydrophobicContact CD1-CD1 4.49Å; F191-L201 HydrophobicContact CG-CD1 4.39Å; V197-L201 HydrophobicContact CG1-CD1 4Å; V197-L201 HydrophobicContact CG1-CG 4.29Å; V197-L201 WeakPolarHBondContact O-CB 3.32Å; V197-L201 VanDerWaalsContact O-CG 3.28Å; V197-L201 WeakPolarHBondContact O-CG 3.25Å; V197-L201 PolarHBondContact O-N 3.38Å; G198-L201 PolarHBondContact O-N 3.22Å; L201-M203 VanDerWaalsContact C-N 3.29Å; L201-M203 PolarHBondContact O-N 2.9Å; L201-S204 CarbonylContact O-C 3.4Å; L201-S204 WeakPolarHBondContact O-CA 3.49Å; L201-S204 PolarHBondContact O-N 3.19Å; L201-G205 PolarHBondContact O-N 2.97Å; L201-A206 HydrophobicContact CB-CB 3.98Å; L201-A206 WeakPolarHBondContact O-CB 3.41Å; L201-A206 PolarHBondContact O-N 3.4Å
202	R	93.3	Very high	85.3	Confident	27 Å²	27	56.3 Å²	56.3	10%	0.102	29%	0.287	C	S	.	.	H	α-helix	trans	-57.8	-43.8	174.3	-165.8	-176.6	-82.9	159.1	-14.9	111.6	E109 S111 K113 G198 E199 S204 G205 F208	E109-R202 PolarHBondContact O-NH2 3.4Å; S111-R202 WeakPolarHBondContact O-CD 3.27Å; S111-R202 WeakPolarHBondContact O-CG 3.41Å; S111-R202 PolarHBondContact O-NE 2.88Å; K113-R202 CarbonylContact C-O 3.6Å; K113-R202 HydrophobicContact CB-CG 4.16Å; K113-R202 HydrophobicContact CD-CG 4.31Å; K113-R202 HydrophobicContact CG-CG 4.01Å; K113-R202 PolarHBondContact N-O 3.35Å; G198-R202 WeakPolarHBondContact O-CB 3.32Å; G198-R202 PolarHBondContact O-N 3.28Å; E199-R202 WeakPolarHBondContact O-CB 3.35Å; E199-R202 PolarHBondContact O-N 3.05Å; E199-R202 IonicContact OE2-CZ 2.8Å; E199-R202 IonicContact OE2-NE 2.64Å; E199-R202 IonicContact OE2-NH1 3.95Å; E199-R202 PolarHBondContact OE2-NH1 3.45Å; R202-S204 PolarHBondContact O-N 3.24Å; R202-G205 PolarHBondContact O-N 3.16Å; R202-F208 HydrophobicContact CB-CE2 4.02Å; R202-F208 HydrophobicContact CG-CE2 4.28Å
203	M	94.7	Very high	85.5	Confident	41 Å²	41	57.1 Å²	57.1	20%	0.202	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-12.2	176.1	-71.9	172.5	64.9	0	0	113.4	K113 L114 R115 A118 E199 L200 L201	K113-M203 HydrophobicContact CB-CG 4.44Å; K113-M203 VanDerWaalsContact O-CA 3.3Å; K113-M203 WeakPolarHBondContact O-CA 3.45Å; L114-M203 CarbonylContact C-O 3.6Å; L114-M203 WeakPolarHBondContact CA-O 3.43Å; R115-M203 HydrophobicContact CB-CB 4.47Å; R115-M203 HydrophobicContact CB-CE 4.3Å; R115-M203 VanDerWaalsContact CD-CE 3.47Å; R115-M203 PolarHBondContact N-O 3.41Å; A118-M203 HydrophobicContact CB-CB 3.52Å; A118-M203 HydrophobicContact CB-CE 4.11Å; E199-M203 HydrophobicContact CG-SD 4.35Å; E199-M203 WeakPolarHBondContact O-CB 3.33Å; E199-M203 VanDerWaalsContact O-CG 3.29Å; E199-M203 WeakPolarHBondContact O-CG 3.45Å; E199-M203 PolarHBondContact O-N 3.44Å; L200-M203 PolarHBondContact O-N 3.01Å; L201-M203 VanDerWaalsContact C-N 3.29Å; L201-M203 PolarHBondContact O-N 2.9Å
204	S	93.4	Very high	85.3	Confident	10 Å²	10	57.6 Å²	57.6	7%	0.07	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.6	9.5	-177.6	-50.8	0	0	0	0	113.1	L114 A118 F122 L200 L201 R202	L114-S204 VanDerWaalsContact CD1-C 3.49Å; A118-S204 WeakPolarHBondContact CB-OG 3.42Å; F122-S204 WeakPolarHBondContact CD2-OG 3.48Å; F122-S204 WeakPolarHBondContact CE2-OG 3.29Å; L200-S204 PolarHBondContact O-N 3.39Å; L200-S204 PolarHBondContact O-OG 3.34Å; L201-S204 CarbonylContact O-C 3.4Å; L201-S204 WeakPolarHBondContact O-CA 3.49Å; L201-S204 PolarHBondContact O-N 3.19Å; R202-S204 PolarHBondContact O-N 3.24Å
205	G	93.1	Very high	85	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	116.2	-5.6	172	0	0	0	0	0	115.1	V184 I185 L201 R202 F207	V184-G205 CarbonylContact C-O 3.43Å; V184-G205 VanDerWaalsContact CA-O 3.23Å; V184-G205 WeakPolarHBondContact CA-O 3.43Å; V184-G205 WeakPolarHBondContact CB-O 3.42Å; I185-G205 PolarHBondContact N-O 3.16Å; L201-G205 PolarHBondContact O-N 2.97Å; R202-G205 PolarHBondContact O-N 3.16Å; G205-F207 PolarHBondContact O-N 3.39Å
206	A	94.6	Very high	85.3	Confident	8 Å²	8	53.2 Å²	53.2	7%	0.066	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	128.8	178.3	0	0	0	0	0	111.8	H112 I185 A187 L201 F208	H112-A206 WeakPolarHBondContact CA-O 3.13Å; H112-A206 VanDerWaalsContact CB-O 3.27Å; H112-A206 WeakPolarHBondContact CB-O 3.4Å; I185-A206 WeakPolarHBondContact O-CA 3.44Å; A187-A206 HydrophobicContact CB-CB 4.18Å; L201-A206 HydrophobicContact CB-CB 3.98Å; L201-A206 WeakPolarHBondContact O-CB 3.41Å; L201-A206 PolarHBondContact O-N 3.4Å; A206-F208 HydrophobicContact CB-CZ 4.23Å
207	F	94.6	Very high	85.5	Confident	1 Å²	1	50.6 Å²	50.6	0%	0.004	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	137.4	164.8	65.9	-87.7	0	0	0	109.5	M110 H112 V184 I185 A186 A187 G205 F223 Y226 V227 M230 V238	M110-F207 CarbonylContact O-C 3.53Å; M110-F207 WeakPolarHBondContact O-CA 3.44Å; M110-F207 VanDerWaalsContact O-CB 3.26Å; M110-F207 WeakPolarHBondContact O-CB 3.42Å; H112-F207 HydrophobicContact CB-CB 4.26Å; V184-F207 HydrophobicContact CB-CD1 4.26Å; V184-F207 HydrophobicContact CB-CE1 4.41Å; V184-F207 HydrophobicContact CG2-CE1 4.48Å; I185-F207 WeakPolarHBondContact O-CD1 3.36Å; I185-F207 PolarHBondContact O-N 3.08Å; A186-F207 HydrophobicContact CB-CE1 4.19Å; A186-F207 HydrophobicContact CB-CE2 3.75Å; A186-F207 HydrophobicContact CB-CZ 3.51Å; A186-F207 VanDerWaalsContact N-CE1 3.34Å; A187-F207 PolarHBondContact N-O 3.47Å; G205-F207 PolarHBondContact O-N 3.39Å; F207-F223 HydrophobicContact CD2-CE2 4.15Å; F207-F223 HydrophobicContact CD2-CZ 4.46Å; F207-F223 HydrophobicContact CE2-CE2 4.13Å; F207-F223 AromaticContact CE2-CZ 3.98Å; F207-F223 HydrophobicContact CE2-CZ 3.98Å; F207-Y226 HydrophobicContact CB-CE1 3.98Å; F207-Y226 HydrophobicContact CD2-CE1 4.46Å; F207-Y226 HydrophobicContact CG-CE1 4.17Å; F207-V227 HydrophobicContact CE2-CG2 3.84Å; F207-V227 HydrophobicContact CZ-CG2 4.18Å; F207-M230 HydrophobicContact CD1-CE 3.96Å; F207-M230 HydrophobicContact CE1-CE 3.74Å; F207-M230 HydrophobicContact CE2-CE 4.36Å; F207-M230 HydrophobicContact CG-CE 4.35Å; F207-M230 HydrophobicContact CZ-CE 3.95Å; F207-V238 HydrophobicContact CE1-CG1 4.49Å; F207-V238 HydrophobicContact CZ-CG1 4.42Å
208	F	92.2	Very high	85.9	Confident	1 Å²	1	48.1 Å²	48.1	0%	0.004	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	133.2	-166.4	-62.8	-79	0	0	0	112.8	M110 A187 M189 F191 L192 R202 A206	M110-F208 VanDerWaalsContact CB-O 3.3Å; M110-F208 WeakPolarHBondContact CB-O 3.48Å; M110-F208 PolarHBondContact O-N 3.41Å; A187-F208 HydrophobicContact CB-CD1 3.91Å; A187-F208 HydrophobicContact CB-CE1 3.97Å; A187-F208 CarbonylContact O-C 3.52Å; A187-F208 VanDerWaalsContact O-CA 3.31Å; A187-F208 WeakPolarHBondContact O-CA 3.35Å; M189-F208 HydrophobicContact CG-CB 4.19Å; F191-F208 HydrophobicContact CB-CE1 4.03Å; L192-F208 HydrophobicContact CD1-CB 4.21Å; L192-F208 HydrophobicContact CD1-CD1 4.5Å; L192-F208 HydrophobicContact CD1-CD2 4.42Å; L192-F208 HydrophobicContact CD1-CG 4.12Å; L192-F208 HydrophobicContact CD2-CD1 4.25Å; L192-F208 HydrophobicContact CD2-CD2 3.74Å; L192-F208 HydrophobicContact CD2-CE1 4.17Å; L192-F208 HydrophobicContact CD2-CE2 3.63Å; L192-F208 HydrophobicContact CD2-CG 4.04Å; L192-F208 HydrophobicContact CD2-CZ 3.86Å; L192-F208 HydrophobicContact CG-CD1 3.99Å; L192-F208 HydrophobicContact CG-CD2 4.21Å; L192-F208 HydrophobicContact CG-CE1 4.22Å; L192-F208 HydrophobicContact CG-CE2 4.41Å; L192-F208 HydrophobicContact CG-CG 3.99Å; L192-F208 HydrophobicContact CG-CZ 4.41Å; R202-F208 HydrophobicContact CB-CE2 4.02Å; R202-F208 HydrophobicContact CG-CE2 4.28Å; A206-F208 HydrophobicContact CB-CZ 4.23Å
209	M	89.3	Confident	86.1	Confident	45 Å²	45	48.2 Å²	48.2	22%	0.222	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	138.8	174.4	68.5	174.6	-73.2	0	0	112.1	A187 M189 F213 F223 L259	A187-M209 PolarHBondContact O-N 2.86Å; M189-M209 WeakPolarHBondContact CG-O 3.4Å; M189-M209 PolarHBondContact N-O 3.45Å; M209-F213 HydrophobicContact CE-CE1 4.44Å; M209-F213 HydrophobicContact CE-CZ 3.79Å; M209-F223 HydrophobicContact CB-CD2 4.44Å; M209-F223 HydrophobicContact CB-CE2 3.54Å; M209-F223 HydrophobicContact CB-CZ 3.74Å; M209-L259 HydrophobicContact SD-CD1 3.92Å
210	R	86.1	Confident	86.1	Confident	75 Å²	75	50 Å²	50	28%	0.283	27%	0.27	S	S	.	.			trans	-66.1	140.9	171.5	-73.8	172.3	-175.3	-171.6	5	110	E109 M189 T212 Y219	E109-R210 IonicContact OE1-CZ 2.74Å; E109-R210 IonicContact OE1-NE 3.35Å; E109-R210 PolarHBondContact OE1-NE 3.43Å; E109-R210 VanDerWaalsContact OE1-NE 3.13Å; E109-R210 IonicContact OE1-NH2 3.97Å; E109-R210 PolarHBondContact OE1-NH2 2.96Å; E109-R210 IonicContact OE2-CZ 3.73Å; E109-R210 IonicContact OE2-NE 3.78Å; E109-R210 IonicContact OE2-NH2 3.11Å; E109-R210 PolarHBondContact OE2-NH2 3.41Å; M189-R210 HydrophobicContact CG-CG 4.47Å; M189-R210 HydrophobicContact SD-CB 4.08Å; M189-R210 HydrophobicContact SD-CG 3.17Å; M189-R210 WeakPolarHBondContact SD-CG 3.14Å; R210-T212 VanDerWaalsContact C-N 3.29Å; R210-T212 PolarHBondContact O-N 3.35Å; R210-Y219 HydrophobicContact CB-CE1 4.21Å; R210-Y219 HydrophobicContact CG-CE1 4.38Å; R210-Y219 HydrophobicContact CG-CE2 4.03Å; R210-Y219 PolarHBondContact N-OH 3.3Å
211	R	71.3	Confident	86.2	Confident	178 Å²	178	48.1 Å²	48.1	67%	0.672	26%	0.261	S	S	*	.	S	Bend	trans	-64.1	-34.2	176.7	-73.8	-174.6	178.8	-178.9	-2.5	112.5	D190	D190-R211 IonicContact OD1-CZ 3.85Å; D190-R211 IonicContact OD1-NE 3.68Å; D190-R211 PolarHBondContact OD1-NE 3.34Å; D190-R211 IonicContact OD1-NH2 3.96Å; D190-R211 PolarHBondContact OD1-NH2 2.93Å; D190-R211 IonicContact OD2-CZ 2.92Å; D190-R211 IonicContact OD2-NE 3.64Å; D190-R211 PolarHBondContact OD2-NE 3.28Å; D190-R211 IonicContact OD2-NH2 3.91Å; D190-R211 PolarHBondContact OD2-NH2 3.45Å
212	T	67.4	Low	86.3	Confident	114 Å²	114	46.9 Å²	46.9	70%	0.699	26%	0.255	S	S	*	.			trans	-131.2	132.4	175.6	54.5	0	0	0	0	109.3	R210 G214	R210-T212 VanDerWaalsContact C-N 3.29Å; R210-T212 PolarHBondContact O-N 3.35Å; T212-G214 VanDerWaalsContact C-N 3.29Å
213	F	68	Low	86.4	Confident	60 Å²	60	45.6 Å²	45.6	26%	0.263	25%	0.25	S	C	.	.			trans	-83.3	-9.3	178.1	-53.1	-58.2	0	0	0	112.5	M209 G215 N216 Y219 W220	M209-F213 HydrophobicContact CE-CE1 4.44Å; M209-F213 HydrophobicContact CE-CZ 3.79Å; F213-G215 PolarHBondContact O-N 2.97Å; F213-N216 VanDerWaalsContact O-CB 3.32Å; F213-N216 WeakPolarHBondContact O-CB 3.06Å; F213-N216 PolarHBondContact O-N 2.99Å; F213-Y219 AromaticContact CD1-CD1 3.68Å; F213-Y219 HydrophobicContact CD1-CD1 3.68Å; F213-Y219 AromaticContact CD1-CE1 3.42Å; F213-Y219 HydrophobicContact CD1-CE1 3.42Å; F213-Y219 VanDerWaalsContact CD1-CE1 3.42Å; F213-Y219 HydrophobicContact CE1-CD1 4.28Å; F213-Y219 AromaticContact CE1-CE1 3.6Å; F213-Y219 HydrophobicContact CE1-CE1 3.6Å; F213-W220 HydrophobicContact CD1-CE3 4.32Å; F213-W220 AromaticContact CD2-CE3 3.75Å; F213-W220 HydrophobicContact CD2-CE3 3.75Å; F213-W220 AromaticContact CD2-CZ3 3.82Å; F213-W220 HydrophobicContact CD2-CZ3 3.82Å; F213-W220 HydrophobicContact CE1-CE3 4.32Å; F213-W220 HydrophobicContact CE1-CZ3 4.44Å; F213-W220 AromaticContact CE2-CE3 3.76Å; F213-W220 HydrophobicContact CE2-CE3 3.76Å; F213-W220 AromaticContact CE2-CZ3 3.39Å; F213-W220 HydrophobicContact CE2-CZ3 3.39Å; F213-W220 HydrophobicContact CG-CE3 4.03Å; F213-W220 HydrophobicContact CG-CZ3 4.5Å; F213-W220 HydrophobicContact CZ-CE3 4.03Å; F213-W220 AromaticContact CZ-CZ3 3.72Å; F213-W220 HydrophobicContact CZ-CZ3 3.72Å
214	G	59.9	Low	86.4	Confident	77 Å²	77	43.9 Å²	43.9	79%	0.794	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.1	17.8	170.2	0	0	0	0	0	115.7	T212 N216	T212-G214 VanDerWaalsContact C-N 3.29Å; G214-N216 PolarHBondContact O-N 3.32Å
215	G	71.9	Confident	86.5	Confident	72 Å²	72	43.4 Å²	43.4	74%	0.742	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.9	9.2	-170.3	0	0	0	0	0	114.5	F213 K217	F213-G215 PolarHBondContact O-N 2.97Å; G215-K217 PolarHBondContact O-N 3.19Å
216	N	85.8	Confident	86.7	Confident	51 Å²	51	43.4 Å²	43.4	27%	0.273	24%	0.239	S	C	.	.			trans	-69.9	95.2	174.6	-173.5	-29.5	0	0	0	109.8	F213 G214 L218 Y219 W220	F213-N216 VanDerWaalsContact O-CB 3.32Å; F213-N216 WeakPolarHBondContact O-CB 3.06Å; F213-N216 PolarHBondContact O-N 2.99Å; G214-N216 PolarHBondContact O-N 3.32Å; N216-L218 VanDerWaalsContact C-N 3.29Å; N216-L218 PolarHBondContact O-N 3.44Å; N216-L218 PolarHBondContact OD1-N 3.12Å; N216-L218 VanDerWaalsContact OD1-N 3.07Å; N216-Y219 PolarHBondContact OD1-N 2.94Å; N216-W220 PolarHBondContact O-N 2.9Å
217	K	89.6	Confident	86.7	Confident	114 Å²	114	43 Å²	43	50%	0.496	24%	0.235	S	C	.	.	H	α-helix	trans	-59.6	-37.6	179.2	-65.4	179.1	-176.5	175	0	112.2	L88 E91 G215 A221	L88-K217 HydrophobicContact CD1-CB 4.45Å; L88-K217 HydrophobicContact CD2-CB 4.17Å; L88-K217 HydrophobicContact CD2-CD 3.95Å; E91-K217 IonicContact OE1-NZ 3.74Å; E91-K217 IonicContact OE2-NZ 2.98Å; E91-K217 PolarHBondContact OE2-NZ 3.47Å; G215-K217 PolarHBondContact O-N 3.19Å; K217-A221 WeakPolarHBondContact O-CB 3.48Å; K217-A221 PolarHBondContact O-N 2.89Å
218	L	93	Very high	86.7	Confident	4 Å²	4	43 Å²	43	2%	0.021	24%	0.235	C	C	.	.	H	α-helix	trans	-66.7	-51.5	-178.5	-174.2	63.1	0	0	0	110.7	V84 I85 L88 L99 E102 V103 I106 N216 W220 A221 V222	V84-L218 HydrophobicContact CG1-CD1 4.36Å; I85-L218 HydrophobicContact CG1-CD1 4.27Å; L88-L218 HydrophobicContact CD1-CB 3.7Å; L88-L218 HydrophobicContact CD1-CD1 4.02Å; L88-L218 HydrophobicContact CD1-CG 4.4Å; L99-L218 HydrophobicContact CD2-CD2 4.03Å; E102-L218 HydrophobicContact CB-CD2 4.02Å; E102-L218 HydrophobicContact CG-CD2 3.83Å; V103-L218 HydrophobicContact CG2-CD1 3.71Å; V103-L218 HydrophobicContact CG2-CD2 4.28Å; V103-L218 HydrophobicContact CG2-CG 4.2Å; I106-L218 HydrophobicContact CD1-CD2 4.27Å; I106-L218 HydrophobicContact CD1-CG 4.23Å; N216-L218 VanDerWaalsContact C-N 3.29Å; N216-L218 PolarHBondContact O-N 3.44Å; N216-L218 PolarHBondContact OD1-N 3.12Å; N216-L218 VanDerWaalsContact OD1-N 3.07Å; L218-W220 VanDerWaalsContact C-N 3.32Å; L218-W220 PolarHBondContact O-N 3.3Å; L218-A221 PolarHBondContact O-N 3.15Å; L218-A221 VanDerWaalsContact O-N 3.16Å; L218-V222 HydrophobicContact CD1-CG2 4.39Å; L218-V222 HydrophobicContact CG-CG2 4.45Å; L218-V222 WeakPolarHBondContact O-CG2 3.4Å; L218-V222 PolarHBondContact O-N 3.45Å
219	Y	93.3	Very high	86.8	Confident	2 Å²	2	43 Å²	43	1%	0.008	24%	0.236	C	C	.	.	H	α-helix	trans	-56	-47	177.3	178.5	-86.4	0	0	0	111.6	I106 R210 F213 N216 A221 V222 F223	I106-Y219 HydrophobicContact CD1-CD2 4.46Å; I106-Y219 HydrophobicContact CG1-CD2 4.25Å; I106-Y219 HydrophobicContact CG2-CD2 3.65Å; I106-Y219 HydrophobicContact CG2-CE2 3.96Å; R210-Y219 HydrophobicContact CB-CE1 4.21Å; R210-Y219 HydrophobicContact CG-CE1 4.38Å; R210-Y219 HydrophobicContact CG-CE2 4.03Å; R210-Y219 PolarHBondContact N-OH 3.3Å; F213-Y219 AromaticContact CD1-CD1 3.68Å; F213-Y219 HydrophobicContact CD1-CD1 3.68Å; F213-Y219 AromaticContact CD1-CE1 3.42Å; F213-Y219 HydrophobicContact CD1-CE1 3.42Å; F213-Y219 VanDerWaalsContact CD1-CE1 3.42Å; F213-Y219 HydrophobicContact CE1-CD1 4.28Å; F213-Y219 AromaticContact CE1-CE1 3.6Å; F213-Y219 HydrophobicContact CE1-CE1 3.6Å; N216-Y219 PolarHBondContact OD1-N 2.94Å; Y219-A221 VanDerWaalsContact C-N 3.34Å; Y219-A221 PolarHBondContact O-N 3.2Å; Y219-V222 PolarHBondContact O-N 3.11Å; Y219-F223 HydrophobicContact CD1-CB 4.48Å; Y219-F223 HydrophobicContact CE1-CB 4.12Å; Y219-F223 HydrophobicContact CE1-CD2 4.41Å; Y219-F223 HydrophobicContact CE1-CG 4.37Å; Y219-F223 WeakPolarHBondContact O-CB 3.33Å; Y219-F223 PolarHBondContact O-N 3.22Å
220	W	91.8	Very high	86.9	Confident	97 Å²	97	40.9 Å²	40.9	37%	0.367	23%	0.225	S	C	.	.	H	α-helix	trans	-61.1	-41.9	178.6	178.6	-99.9	0	0	0	112.4	F213 N216 L218 S224 I262	F213-W220 HydrophobicContact CD1-CE3 4.32Å; F213-W220 AromaticContact CD2-CE3 3.75Å; F213-W220 HydrophobicContact CD2-CE3 3.75Å; F213-W220 AromaticContact CD2-CZ3 3.82Å; F213-W220 HydrophobicContact CD2-CZ3 3.82Å; F213-W220 HydrophobicContact CE1-CE3 4.32Å; F213-W220 HydrophobicContact CE1-CZ3 4.44Å; F213-W220 AromaticContact CE2-CE3 3.76Å; F213-W220 HydrophobicContact CE2-CE3 3.76Å; F213-W220 AromaticContact CE2-CZ3 3.39Å; F213-W220 HydrophobicContact CE2-CZ3 3.39Å; F213-W220 HydrophobicContact CG-CE3 4.03Å; F213-W220 HydrophobicContact CG-CZ3 4.5Å; F213-W220 HydrophobicContact CZ-CE3 4.03Å; F213-W220 AromaticContact CZ-CZ3 3.72Å; F213-W220 HydrophobicContact CZ-CZ3 3.72Å; N216-W220 PolarHBondContact O-N 2.9Å; L218-W220 VanDerWaalsContact C-N 3.32Å; L218-W220 PolarHBondContact O-N 3.3Å; W220-S224 PolarHBondContact NE1-OG 2.82Å; W220-S224 VanDerWaalsContact O-CB 3.22Å; W220-S224 WeakPolarHBondContact O-CB 3.36Å; W220-S224 PolarHBondContact O-N 2.63Å; W220-S224 PolarHBondContact O-OG 3.29Å; W220-I262 HydrophobicContact CH2-CD1 3.54Å; W220-I262 HydrophobicContact CH2-CG1 4.06Å; W220-I262 HydrophobicContact CZ2-CD1 3.92Å; W220-I262 HydrophobicContact CZ2-CG1 4.04Å; W220-I262 HydrophobicContact CZ3-CD1 4Å
221	A	93.9	Very high	87.2	Confident	7 Å²	7	37.5 Å²	37.5	6%	0.058	21%	0.212	C	C	.	.	H	α-helix	trans	-64	-48	177.6	0	0	0	0	0	111.8	I81 V84 K217 L218 Y219 F223 S224 E225	I81-A221 HydrophobicContact CD1-CB 4.22Å; V84-A221 HydrophobicContact CB-CB 4.28Å; V84-A221 HydrophobicContact CG1-CB 3.9Å; V84-A221 HydrophobicContact CG2-CB 3.97Å; K217-A221 WeakPolarHBondContact O-CB 3.48Å; K217-A221 PolarHBondContact O-N 2.89Å; L218-A221 PolarHBondContact O-N 3.15Å; L218-A221 VanDerWaalsContact O-N 3.16Å; Y219-A221 VanDerWaalsContact C-N 3.34Å; Y219-A221 PolarHBondContact O-N 3.2Å; A221-F223 PolarHBondContact O-N 2.97Å; A221-S224 PolarHBondContact O-N 3.25Å; A221-E225 VanDerWaalsContact O-CB 3.28Å; A221-E225 WeakPolarHBondContact O-CB 3.38Å; A221-E225 PolarHBondContact O-N 3.04Å
222	V	95.9	Very high	88.1	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-60.8	-47.1	177.4	177.5	0	0	0	0	111	I81 V103 I106 L107 M110 L218 Y219 E225 Y226	I81-V222 HydrophobicContact CD1-CG2 4.13Å; V103-V222 HydrophobicContact CB-CG2 4.16Å; V103-V222 HydrophobicContact CG1-CG1 4.33Å; V103-V222 HydrophobicContact CG1-CG2 3.8Å; V103-V222 HydrophobicContact CG2-CG2 3.67Å; I106-V222 HydrophobicContact CB-CG1 4.26Å; I106-V222 HydrophobicContact CG2-CB 4Å; I106-V222 HydrophobicContact CG2-CG1 3.64Å; L107-V222 HydrophobicContact CD2-CG1 3.7Å; L107-V222 HydrophobicContact CG-CG1 3.74Å; M110-V222 HydrophobicContact SD-CG1 4.33Å; L218-V222 HydrophobicContact CD1-CG2 4.39Å; L218-V222 HydrophobicContact CG-CG2 4.45Å; L218-V222 WeakPolarHBondContact O-CG2 3.4Å; L218-V222 PolarHBondContact O-N 3.45Å; Y219-V222 PolarHBondContact O-N 3.11Å; V222-E225 PolarHBondContact O-N 3.43Å; V222-Y226 WeakPolarHBondContact O-CB 3.43Å; V222-Y226 PolarHBondContact O-N 2.99Å
223	F	95.2	Very high	89	Confident	1 Å²	1	29.1 Å²	29.1	0%	0.004	17%	0.171	C	C	.	.	H	α-helix	trans	-62.2	-47.9	-179.9	-179.2	-89.8	0	0	0	112	M110 F207 M209 Y219 A221 Y226 V227 L259 I262	M110-F223 HydrophobicContact CE-CB 4.16Å; M110-F223 HydrophobicContact CE-CD2 3.18Å; M110-F223 HydrophobicContact CE-CE2 3.72Å; M110-F223 HydrophobicContact CE-CG 3.94Å; M110-F223 HydrophobicContact SD-CB 4.16Å; M110-F223 HydrophobicContact SD-CD2 3.9Å; M110-F223 HydrophobicContact SD-CG 4.48Å; F207-F223 HydrophobicContact CD2-CE2 4.15Å; F207-F223 HydrophobicContact CD2-CZ 4.46Å; F207-F223 HydrophobicContact CE2-CE2 4.13Å; F207-F223 AromaticContact CE2-CZ 3.98Å; F207-F223 HydrophobicContact CE2-CZ 3.98Å; M209-F223 HydrophobicContact CB-CD2 4.44Å; M209-F223 HydrophobicContact CB-CE2 3.54Å; M209-F223 HydrophobicContact CB-CZ 3.74Å; Y219-F223 HydrophobicContact CD1-CB 4.48Å; Y219-F223 HydrophobicContact CE1-CB 4.12Å; Y219-F223 HydrophobicContact CE1-CD2 4.41Å; Y219-F223 HydrophobicContact CE1-CG 4.37Å; Y219-F223 WeakPolarHBondContact O-CB 3.33Å; Y219-F223 PolarHBondContact O-N 3.22Å; A221-F223 PolarHBondContact O-N 2.97Å; F223-Y226 WeakPolarHBondContact O-CB 3.4Å; F223-Y226 PolarHBondContact O-N 3.01Å; F223-V227 HydrophobicContact CE1-CG2 4.14Å; F223-V227 HydrophobicContact CZ-CG2 4.22Å; F223-V227 PolarHBondContact O-N 3.25Å; F223-V227 VanDerWaalsContact O-N 3.17Å; F223-L259 HydrophobicContact CE1-CD2 3.62Å; F223-L259 HydrophobicContact CZ-CD2 3.79Å; F223-I262 HydrophobicContact CD1-CD1 3.93Å; F223-I262 HydrophobicContact CE1-CD1 3.9Å
224	S	94.4	Very high	89.6	Confident	4 Å²	4	26.7 Å²	26.7	3%	0.028	16%	0.163	C	C	.	.	H	α-helix	trans	-62.8	-46	179.4	-58.4	0	0	0	0	111.1	W220 A221 Y226 V227 K228	W220-S224 PolarHBondContact NE1-OG 2.82Å; W220-S224 VanDerWaalsContact O-CB 3.22Å; W220-S224 WeakPolarHBondContact O-CB 3.36Å; W220-S224 PolarHBondContact O-N 2.63Å; W220-S224 PolarHBondContact O-OG 3.29Å; A221-S224 PolarHBondContact O-N 3.25Å; S224-Y226 VanDerWaalsContact C-N 3.31Å; S224-Y226 PolarHBondContact O-N 3.49Å; S224-V227 PolarHBondContact O-N 2.93Å; S224-K228 WeakPolarHBondContact O-CE 3.35Å; S224-K228 VanDerWaalsContact O-CG 3.29Å; S224-K228 WeakPolarHBondContact O-CG 3.32Å; S224-K228 PolarHBondContact O-N 3.44Å
225	E	95.8	Very high	90.6	Very high	1 Å²	1	24.2 Å²	24.2	1%	0.005	13%	0.13	C	C	.	.	H	α-helix	trans	-64.8	-35.7	179.2	-175.3	64.1	179.8	0	0	112.5	V75 S78 I81 A221 V222 K228 T229 R232	V75-E225 HydrophobicContact CG1-CB 4.24Å; V75-E225 HydrophobicContact CG1-CG 3.98Å; V75-E225 HydrophobicContact CG2-CG 4.35Å; S78-E225 VanDerWaalsContact CB-OE1 3.25Å; S78-E225 WeakPolarHBondContact CB-OE1 3.49Å; S78-E225 VanDerWaalsContact OG-CD 3.25Å; S78-E225 PolarHBondContact OG-OE1 3.49Å; I81-E225 HydrophobicContact CD1-CB 3.89Å; I81-E225 HydrophobicContact CD1-CG 4.28Å; I81-E225 HydrophobicContact CG1-CB 4.17Å; I81-E225 HydrophobicContact CG1-CG 3.99Å; A221-E225 VanDerWaalsContact O-CB 3.28Å; A221-E225 WeakPolarHBondContact O-CB 3.38Å; A221-E225 PolarHBondContact O-N 3.04Å; V222-E225 PolarHBondContact O-N 3.43Å; E225-K228 PolarHBondContact O-N 3.42Å; E225-K228 WeakPolarHBondContact OE2-CE 3.45Å; E225-K228 IonicContact OE2-NZ 2.8Å; E225-T229 VanDerWaalsContact O-CB 3.27Å; E225-T229 WeakPolarHBondContact O-CB 3.41Å; E225-T229 PolarHBondContact O-N 2.98Å; E225-T229 PolarHBondContact O-OG1 3.4Å; E225-R232 IonicContact OE1-CZ 3.77Å; E225-R232 IonicContact OE1-NH1 2.73Å; E225-R232 PolarHBondContact OE1-NH1 3.16Å; E225-R232 IonicContact OE1-NH2 3.61Å; E225-R232 PolarHBondContact OE1-NH2 3.21Å; E225-R232 IonicContact OE2-NH2 3.55Å
226	Y	96.1	Very high	91.5	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-60.5	-49.6	174.2	-177.5	-98.4	0	0	0	112.1	I71 V75 L107 M110 S111 H112 F207 V222 F223 S224 T229 M230	I71-Y226 HydrophobicContact CG2-CD2 3.91Å; I71-Y226 HydrophobicContact CG2-CE2 3.61Å; V75-Y226 HydrophobicContact CG2-CD2 4.16Å; L107-Y226 HydrophobicContact CD2-CD2 3.86Å; L107-Y226 HydrophobicContact CD2-CG 4.49Å; M110-Y226 HydrophobicContact CE-CD1 3.43Å; M110-Y226 VanDerWaalsContact CE-CD1 3.43Å; M110-Y226 HydrophobicContact CE-CE1 4.16Å; M110-Y226 HydrophobicContact CE-CG 3.71Å; S111-Y226 WeakPolarHBondContact CA-OH 3.17Å; S111-Y226 WeakPolarHBondContact CB-OH 3.33Å; H112-Y226 PolarHBondContact CE1-OH 3.27Å; H112-Y226 VanDerWaalsContact CE1-OH 3.32Å; H112-Y226 PolarHBondContact N-OH 3.33Å; H112-Y226 AromaticContact ND1-CZ 3.78Å; H112-Y226 PolarHBondContact ND1-OH 2.86Å; F207-Y226 HydrophobicContact CB-CE1 3.98Å; F207-Y226 HydrophobicContact CD2-CE1 4.46Å; F207-Y226 HydrophobicContact CG-CE1 4.17Å; V222-Y226 WeakPolarHBondContact O-CB 3.43Å; V222-Y226 PolarHBondContact O-N 2.99Å; F223-Y226 WeakPolarHBondContact O-CB 3.4Å; F223-Y226 PolarHBondContact O-N 3.01Å; S224-Y226 VanDerWaalsContact C-N 3.31Å; S224-Y226 PolarHBondContact O-N 3.49Å; Y226-T229 WeakPolarHBondContact O-CB 3.41Å; Y226-T229 PolarHBondContact O-N 3.5Å; Y226-M230 HydrophobicContact CD1-CE 3.7Å; Y226-M230 HydrophobicContact CD1-SD 4.23Å; Y226-M230 HydrophobicContact CE1-CE 3.56Å; Y226-M230 HydrophobicContact CE1-CG 4.48Å; Y226-M230 HydrophobicContact CE1-SD 3.63Å; Y226-M230 WeakPolarHBondContact O-CG 3.49Å; Y226-M230 PolarHBondContact O-N 3.22Å; Y226-M230 VanDerWaalsContact O-N 3.09Å
227	V	95.7	Very high	91.9	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-64.4	-43.6	178.2	176.3	0	0	0	0	111.6	F207 F223 S224 T229 M230 L231 I262 V263	F207-V227 HydrophobicContact CE2-CG2 3.84Å; F207-V227 HydrophobicContact CZ-CG2 4.18Å; F223-V227 HydrophobicContact CE1-CG2 4.14Å; F223-V227 HydrophobicContact CZ-CG2 4.22Å; F223-V227 PolarHBondContact O-N 3.25Å; F223-V227 VanDerWaalsContact O-N 3.17Å; S224-V227 PolarHBondContact O-N 2.93Å; V227-T229 VanDerWaalsContact C-N 3.29Å; V227-T229 PolarHBondContact O-N 3.26Å; V227-M230 HydrophobicContact CB-CE 4.32Å; V227-M230 HydrophobicContact CG2-CE 4.06Å; V227-M230 WeakPolarHBondContact O-CB 3.22Å; V227-M230 PolarHBondContact O-N 3.45Å; V227-M230 VanDerWaalsContact O-N 3.17Å; V227-L231 PolarHBondContact O-N 2.89Å; V227-I262 HydrophobicContact CB-CG2 3.72Å; V227-I262 HydrophobicContact CG1-CG2 3.76Å; V227-V263 HydrophobicContact CG1-CG1 3.8Å
228	K	95.1	Very high	92.2	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-59	-41.3	174.7	-72	-175.7	-72.4	-169.5	0	112.2	E80 S224 E225 M230 L231 R232 I262 E265 P266	E80-K228 IonicContact OE1-NZ 2.63Å; E80-K228 PolarHBondContact OE1-NZ 3.48Å; E80-K228 IonicContact OE2-NZ 3.15Å; E80-K228 PolarHBondContact OE2-NZ 3.39Å; S224-K228 WeakPolarHBondContact O-CE 3.35Å; S224-K228 VanDerWaalsContact O-CG 3.29Å; S224-K228 WeakPolarHBondContact O-CG 3.32Å; S224-K228 PolarHBondContact O-N 3.44Å; E225-K228 PolarHBondContact O-N 3.42Å; E225-K228 WeakPolarHBondContact OE2-CE 3.45Å; E225-K228 IonicContact OE2-NZ 2.8Å; K228-M230 VanDerWaalsContact C-N 3.32Å; K228-M230 PolarHBondContact O-N 3.12Å; K228-L231 PolarHBondContact O-N 3.12Å; K228-R232 WeakPolarHBondContact O-CG 3.25Å; K228-R232 PolarHBondContact O-N 3.19Å; K228-I262 HydrophobicContact CG-CG2 4.12Å; K228-E265 HydrophobicContact CD-CB 4.36Å; K228-E265 HydrophobicContact CD-CG 4.34Å; K228-E265 WeakPolarHBondContact CD-OE2 3.4Å; K228-E265 WeakPolarHBondContact CE-OE2 3.45Å; K228-E265 IonicContact NZ-OE2 2.72Å; K228-E265 PolarHBondContact NZ-OE2 3.23Å; K228-P266 HydrophobicContact CB-CG 4Å; K228-P266 HydrophobicContact CD-CG 4.35Å; K228-P266 HydrophobicContact CG-CG 3.76Å
229	T	93.8	Very high	92.4	Very high	2 Å²	2	13.4 Å²	13.4	1%	0.012	6%	0.062	C	C	.	.	H	α-helix	trans	-62.7	-39.3	177.2	-59.3	0	0	0	0	111.7	I71 V75 E225 Y226 V227 L231 R232 N233	I71-T229 HydrophobicContact CG2-CG2 3.96Å; V75-T229 HydrophobicContact CG2-CG2 4.4Å; E225-T229 VanDerWaalsContact O-CB 3.27Å; E225-T229 WeakPolarHBondContact O-CB 3.41Å; E225-T229 PolarHBondContact O-N 2.98Å; E225-T229 PolarHBondContact O-OG1 3.4Å; Y226-T229 WeakPolarHBondContact O-CB 3.41Å; Y226-T229 PolarHBondContact O-N 3.5Å; V227-T229 VanDerWaalsContact C-N 3.29Å; V227-T229 PolarHBondContact O-N 3.26Å; T229-L231 VanDerWaalsContact C-N 3.34Å; T229-L231 PolarHBondContact O-N 2.88Å; T229-R232 PolarHBondContact O-N 3.31Å; T229-R232 PolarHBondContact OG1-NH2 2.89Å; T229-N233 VanDerWaalsContact O-CB 3.29Å; T229-N233 WeakPolarHBondContact O-CB 3.34Å; T229-N233 VanDerWaalsContact O-CG 3.24Å; T229-N233 PolarHBondContact O-N 2.9Å; T229-N233 PolarHBondContact O-ND2 2.96Å
230	M	91.9	Very high	92.6	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-61.5	-41.7	174.5	-65.8	-171.3	-67.2	0	0	111.9	I71 V184 F207 Y226 V227 K228 G234 Y235 V238	I71-M230 HydrophobicContact CD1-CG 4.38Å; I71-M230 HydrophobicContact CG2-CG 4.32Å; V184-M230 HydrophobicContact CB-SD 4.28Å; V184-M230 HydrophobicContact CG2-CE 4.3Å; V184-M230 HydrophobicContact CG2-SD 3.64Å; F207-M230 HydrophobicContact CD1-CE 3.96Å; F207-M230 HydrophobicContact CE1-CE 3.74Å; F207-M230 HydrophobicContact CE2-CE 4.36Å; F207-M230 HydrophobicContact CG-CE 4.35Å; F207-M230 HydrophobicContact CZ-CE 3.95Å; Y226-M230 HydrophobicContact CD1-CE 3.7Å; Y226-M230 HydrophobicContact CD1-SD 4.23Å; Y226-M230 HydrophobicContact CE1-CE 3.56Å; Y226-M230 HydrophobicContact CE1-CG 4.48Å; Y226-M230 HydrophobicContact CE1-SD 3.63Å; Y226-M230 WeakPolarHBondContact O-CG 3.49Å; Y226-M230 PolarHBondContact O-N 3.22Å; Y226-M230 VanDerWaalsContact O-N 3.09Å; V227-M230 HydrophobicContact CB-CE 4.32Å; V227-M230 HydrophobicContact CG2-CE 4.06Å; V227-M230 WeakPolarHBondContact O-CB 3.22Å; V227-M230 PolarHBondContact O-N 3.45Å; V227-M230 VanDerWaalsContact O-N 3.17Å; K228-M230 VanDerWaalsContact C-N 3.32Å; K228-M230 PolarHBondContact O-N 3.12Å; M230-G234 PolarHBondContact O-N 3.3Å; M230-Y235 HydrophobicContact CB-CE1 4.4Å; M230-Y235 HydrophobicContact CG-CE1 4.28Å; M230-V238 HydrophobicContact CB-CG2 4.27Å
231	L	91.9	Very high	92.8	Very high	3 Å²	3	9.6 Å²	9.6	2%	0.016	5%	0.048	C	C	.	.	H	α-helix	trans	-69.5	-42.9	176.6	-71.8	178	0	0	0	113.6	P155 V157 V227 K228 T229 N233 G234 V238 V263 P266	P155-L231 HydrophobicContact CB-CD2 4.03Å; P155-L231 WeakPolarHBondContact CG-O 3.29Å; V157-L231 HydrophobicContact CG2-CD2 3.95Å; V227-L231 PolarHBondContact O-N 2.89Å; K228-L231 PolarHBondContact O-N 3.12Å; T229-L231 VanDerWaalsContact C-N 3.34Å; T229-L231 PolarHBondContact O-N 2.88Å; L231-N233 VanDerWaalsContact C-N 3.26Å; L231-N233 PolarHBondContact O-N 3.3Å; L231-G234 PolarHBondContact O-N 2.95Å; L231-V238 HydrophobicContact CD2-CB 4.44Å; L231-V238 HydrophobicContact CD2-CG2 3.84Å; L231-V238 HydrophobicContact CG-CG2 4.25Å; L231-V263 VanDerWaalsContact CD1-CA 3.47Å; L231-V263 HydrophobicContact CD1-CB 3.62Å; L231-V263 HydrophobicContact CD1-CG1 3.97Å; L231-V263 WeakPolarHBondContact CD1-O 3.38Å; L231-P266 HydrophobicContact CB-CG 4.48Å; L231-P266 HydrophobicContact CD1-CG 4.33Å
232	R	90.4	Very high	92.8	Very high	76 Å²	76	9.3 Å²	9.3	29%	0.287	5%	0.046	S	C	.	.	H	α-helix	trans	-60	-39.9	175.6	-71.5	-176.9	-62.1	-158.8	4.2	111.4	E225 K228 T229 E271 V272	E225-R232 IonicContact OE1-CZ 3.77Å; E225-R232 IonicContact OE1-NH1 2.73Å; E225-R232 PolarHBondContact OE1-NH1 3.16Å; E225-R232 IonicContact OE1-NH2 3.61Å; E225-R232 PolarHBondContact OE1-NH2 3.21Å; E225-R232 IonicContact OE2-NH2 3.55Å; K228-R232 WeakPolarHBondContact O-CG 3.25Å; K228-R232 PolarHBondContact O-N 3.19Å; T229-R232 PolarHBondContact O-N 3.31Å; T229-R232 PolarHBondContact OG1-NH2 2.89Å; R232-E271 HydrophobicContact CG-CB 4.2Å; R232-E271 IonicContact NH1-OE1 3.02Å; R232-E271 IonicContact NH1-OE2 2.68Å; R232-V272 HydrophobicContact CG-CG1 4.41Å
233	N	85.6	Confident	92.5	Very high	41 Å²	41	9.4 Å²	9.4	22%	0.219	5%	0.046	C	C	.	.	H	α-helix	trans	-77.8	-25.4	178.8	-71	-13.5	0	0	0	113.1	I63 T229 L231 Y235	I63-N233 WeakPolarHBondContact CD1-O 3.25Å; I63-N233 WeakPolarHBondContact CG1-O 3.31Å; I63-N233 WeakPolarHBondContact CG2-O 3.31Å; T229-N233 VanDerWaalsContact O-CB 3.29Å; T229-N233 WeakPolarHBondContact O-CB 3.34Å; T229-N233 VanDerWaalsContact O-CG 3.24Å; T229-N233 PolarHBondContact O-N 2.9Å; T229-N233 PolarHBondContact O-ND2 2.96Å; L231-N233 VanDerWaalsContact C-N 3.26Å; L231-N233 PolarHBondContact O-N 3.3Å; N233-Y235 HydrophobicContact CB-CD1 4.3Å; N233-Y235 PolarHBondContact O-N 2.99Å
234	G	80.4	Confident	92.2	Very high	9 Å²	9	12 Å²	12	9%	0.093	7%	0.073	C	C	.	.			trans	55.1	18.1	174	0	0	0	0	0	116.7	M230 L231 A236	M230-G234 PolarHBondContact O-N 3.3Å; L231-G234 PolarHBondContact O-N 2.95Å; G234-A236 VanDerWaalsContact C-N 3.32Å; G234-A236 PolarHBondContact O-N 3.21Å
235	Y	82	Confident	92	Very high	24 Å²	24	14.9 Å²	14.9	9%	0.094	9%	0.09	C	C	.	.	S	Bend	trans	-73.6	-22.3	-173.8	80.4	-77.2	0	0	0	113.4	I71 H112 L114 V184 M230 N233	I71-Y235 HydrophobicContact CD1-CD1 4.09Å; I71-Y235 HydrophobicContact CD1-CE1 3.36Å; I71-Y235 HydrophobicContact CG1-CE1 4.5Å; H112-Y235 AromaticContact CE1-CZ 3.93Å; H112-Y235 PolarHBondContact CE1-OH 3.4Å; H112-Y235 AromaticContact NE2-CZ 3.93Å; H112-Y235 PolarHBondContact NE2-OH 3.26Å; L114-Y235 HydrophobicContact CD2-CE2 4.38Å; V184-Y235 WeakPolarHBondContact CG1-OH 3.15Å; M230-Y235 HydrophobicContact CB-CE1 4.4Å; M230-Y235 HydrophobicContact CG-CE1 4.28Å; N233-Y235 HydrophobicContact CB-CD1 4.3Å; N233-Y235 PolarHBondContact O-N 2.99Å
236	A	90.2	Very high	91.8	Very high	10 Å²	10	15.8 Å²	15.8	8%	0.083	9%	0.094	C	C	.	.	S	Bend	trans	-149.3	148.3	175.8	0	0	0	0	0	110.2	V184 G234	V184-A236 HydrophobicContact CG1-CB 4.49Å; G234-A236 VanDerWaalsContact C-N 3.32Å; G234-A236 PolarHBondContact O-N 3.21Å
237	P	94.6	Very high	91.6	Very high	4 Å²	4	15.9 Å²	15.9	3%	0.026	10%	0.095	C	C	.	.			trans	-60	146.4	170.3	-21.2	31.6	0	0	0	111.6	I151 V156 L158 P183 V184	I151-P237 HydrophobicContact CD1-CG 3.96Å; I151-P237 HydrophobicContact CG1-CG 4.25Å; V156-P237 HydrophobicContact CB-CB 4.32Å; V156-P237 HydrophobicContact CG1-CB 4.35Å; V156-P237 WeakPolarHBondContact O-CA 3.33Å; L158-P237 HydrophobicContact CD1-CB 4Å; L158-P237 HydrophobicContact CG-CB 4Å; P183-P237 CarbonylContact C-O 3.34Å; P183-P237 VanDerWaalsContact CA-O 3.25Å; P183-P237 WeakPolarHBondContact CA-O 3.35Å; P183-P237 HydrophobicContact CB-CB 4.28Å; P183-P237 WeakPolarHBondContact CB-O 3.19Å; V184-P237 WeakPolarHBondContact CG2-O 3.16Å; V184-P237 PolarHBondContact N-O 3.32Å
238	V	96.3	Very high	91.5	Very high	1 Å²	1	17.6 Å²	17.6	1%	0.006	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	128.7	172.8	179.2	0	0	0	0	108.8	V156 V157 L158 V184 F207 M230 L231 F240	V156-V238 PolarHBondContact O-N 3.27Å; V157-V238 CarbonylContact C-O 3.27Å; V157-V238 VanDerWaalsContact CA-O 3.28Å; V157-V238 WeakPolarHBondContact CA-O 3.38Å; L158-V238 PolarHBondContact N-O 2.99Å; V184-V238 HydrophobicContact CG2-CG2 4.11Å; F207-V238 HydrophobicContact CE1-CG1 4.49Å; F207-V238 HydrophobicContact CZ-CG1 4.42Å; M230-V238 HydrophobicContact CB-CG2 4.27Å; L231-V238 HydrophobicContact CD2-CB 4.44Å; L231-V238 HydrophobicContact CD2-CG2 3.84Å; L231-V238 HydrophobicContact CG-CG2 4.25Å; V238-F240 HydrophobicContact CG1-CD1 4.45Å
239	E	97.3	Very high	91.4	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	132.2	178.5	-178.5	-173.4	152.2	0	0	110.9	L158 P160 L171 P183 V184 I185 A186	L158-E239 HydrophobicContact CB-CB 4.26Å; L158-E239 HydrophobicContact CB-CG 4.34Å; L158-E239 WeakPolarHBondContact O-CA 3.5Å; P160-E239 HydrophobicContact CG-CG 4.06Å; L171-E239 HydrophobicContact CD1-CG 4.26Å; P183-E239 HydrophobicContact CB-CB 3.9Å; P183-E239 HydrophobicContact CG-CB 4.27Å; P183-E239 WeakPolarHBondContact CG-OE2 3.18Å; V184-E239 PolarHBondContact O-N 3.07Å; I185-E239 WeakPolarHBondContact CA-O 3.46Å; I185-E239 HydrophobicContact CG1-CB 4.24Å; I185-E239 HydrophobicContact CG2-CB 4.35Å; I185-E239 HydrophobicContact CG2-CG 4.28Å; A186-E239 PolarHBondContact N-O 3.45Å
240	F	96.6	Very high	91.4	Very high	4 Å²	4	18.5 Å²	18.5	2%	0.018	11%	0.108	C	C	.	.			trans	-156.8	159.1	165.7	67	-87.2	0	0	0	111.8	V157 L158 L159 A186 V238 L242 L259 L260 V263	V157-F240 HydrophobicContact CG1-CD1 4.06Å; V157-F240 HydrophobicContact CG1-CE1 3.39Å; V157-F240 HydrophobicContact CG1-CZ 4.17Å; L158-F240 PolarHBondContact O-N 3.48Å; L159-F240 HydrophobicContact CD2-CD1 4.19Å; L159-F240 HydrophobicContact CD2-CD2 4.19Å; L159-F240 HydrophobicContact CD2-CE1 3.73Å; L159-F240 HydrophobicContact CD2-CE2 3.72Å; L159-F240 HydrophobicContact CD2-CG 4.4Å; L159-F240 HydrophobicContact CD2-CZ 3.46Å; L159-F240 VanDerWaalsContact CD2-CZ 3.46Å; A186-F240 HydrophobicContact CB-CB 3.77Å; V238-F240 HydrophobicContact CG1-CD1 4.45Å; F240-L242 HydrophobicContact CE2-CD1 3.86Å; F240-L242 HydrophobicContact CZ-CD1 4.38Å; F240-L259 HydrophobicContact CB-CD1 3.73Å; F240-L259 HydrophobicContact CD1-CB 4.42Å; F240-L259 HydrophobicContact CD2-CB 3.8Å; F240-L259 HydrophobicContact CD2-CD1 3.92Å; F240-L259 HydrophobicContact CE1-CB 4.37Å; F240-L259 HydrophobicContact CE2-CB 3.76Å; F240-L259 HydrophobicContact CG-CB 4.14Å; F240-L259 HydrophobicContact CG-CD1 3.84Å; F240-L259 HydrophobicContact CZ-CB 4.07Å; F240-L260 HydrophobicContact CE2-CB 4.46Å; F240-L260 HydrophobicContact CZ-CB 4.28Å; F240-L260 HydrophobicContact CZ-CD1 4.21Å; F240-V263 HydrophobicContact CE1-CG1 3.86Å; F240-V263 HydrophobicContact CE1-CG2 3.93Å; F240-V263 HydrophobicContact CZ-CG2 4Å
241	F	95.3	Very high	91.4	Very high	15 Å²	15	18.8 Å²	18.8	7%	0.066	11%	0.109	C	C	.	.			trans	-92.1	119.5	-179.6	-56.9	-87.1	0	0	0	110.5	P160 H162 D167 F168 E243 G244	P160-F241 HydrophobicContact CB-CD1 4.22Å; P160-F241 HydrophobicContact CB-CE1 3.95Å; P160-F241 HydrophobicContact CG-CD1 3.72Å; P160-F241 HydrophobicContact CG-CE1 3.5Å; P160-F241 VanDerWaalsContact CG-CE1 3.5Å; P160-F241 HydrophobicContact CG-CZ 4.1Å; H162-F241 HydrophobicContact CB-CB 4.03Å; H162-F241 HydrophobicContact CB-CD1 3.39Å; H162-F241 HydrophobicContact CB-CE1 4.04Å; H162-F241 HydrophobicContact CB-CG 3.87Å; H162-F241 AromaticContact CD2-CD1 3.8Å; H162-F241 AromaticContact CD2-CE1 3.65Å; H162-F241 AromaticContact CD2-CZ 3.97Å; H162-F241 AromaticContact CE1-CD1 3.95Å; H162-F241 AromaticContact CE1-CD2 3.35Å; H162-F241 WeakPolarHBondContact CE1-CD2 3.47Å; H162-F241 AromaticContact CE1-CE2 3.56Å; H162-F241 AromaticContact CE1-CG 3.57Å; H162-F241 AromaticContact CE1-CZ 3.92Å; H162-F241 AromaticContact CG-CD1 3.26Å; H162-F241 AromaticContact CG-CE1 3.63Å; H162-F241 AromaticContact CG-CG 3.5Å; H162-F241 WeakPolarHBondContact ND1-CB 3.28Å; H162-F241 AromaticContact ND1-CD1 3.38Å; H162-F241 WeakPolarHBondContact ND1-CD1 3.39Å; H162-F241 AromaticContact ND1-CD2 3.36Å; H162-F241 WeakPolarHBondContact ND1-CD2 3.35Å; H162-F241 AromaticContact ND1-CE1 3.92Å; H162-F241 AromaticContact ND1-CE2 3.94Å; H162-F241 AromaticContact ND1-CG 3.05Å; H162-F241 WeakPolarHBondContact ND1-CG 3.2Å; H162-F241 AromaticContact NE2-CE2 3.93Å; H162-F241 AromaticContact NE2-CZ 3.87Å; D167-F241 HydrophobicContact CB-CE1 3.84Å; D167-F241 HydrophobicContact CB-CZ 3.93Å; F168-F241 AromaticContact CD1-CE2 3.59Å; F168-F241 HydrophobicContact CD1-CE2 3.59Å; F168-F241 HydrophobicContact CD1-CZ 4.22Å; F168-F241 HydrophobicContact CE1-CD2 4.12Å; F168-F241 AromaticContact CE1-CE2 3.5Å; F168-F241 HydrophobicContact CE1-CE2 3.5Å; F168-F241 HydrophobicContact CE1-CZ 4.44Å; F168-F241 HydrophobicContact CE2-CE2 4.46Å; F168-F241 HydrophobicContact CG-CE2 4.13Å; F168-F241 HydrophobicContact CG-CZ 4.34Å; F168-F241 HydrophobicContact CZ-CD2 4.42Å; F168-F241 AromaticContact CZ-CE2 3.98Å; F168-F241 HydrophobicContact CZ-CE2 3.98Å; F241-E243 PolarHBondContact O-N 3.03Å; F241-G244 PolarHBondContact O-N 3.35Å
242	L	94	Very high	91.4	Very high	1 Å²	1	19 Å²	19	1%	0.005	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-37.1	-178.3	-138.8	82	0	0	0	112.4	L159 F240 G244 P255 K256 L260 A370 M373 E374	L159-L242 HydrophobicContact CD1-CD1 4Å; L159-L242 HydrophobicContact CD2-CD1 3.73Å; L159-L242 HydrophobicContact CG-CD1 4.36Å; F240-L242 HydrophobicContact CE2-CD1 3.86Å; F240-L242 HydrophobicContact CZ-CD1 4.38Å; L242-G244 PolarHBondContact O-N 2.86Å; L242-P255 HydrophobicContact CD2-CB 3.88Å; L242-P255 HydrophobicContact CG-CB 4.22Å; L242-K256 PolarHBondContact O-N 3.26Å; L242-L260 HydrophobicContact CD1-CD1 4.32Å; L242-L260 HydrophobicContact CD1-CD2 4.36Å; L242-A370 HydrophobicContact CD2-CB 4.07Å; L242-A370 WeakPolarHBondContact CD2-O 3.48Å; L242-M373 HydrophobicContact CD2-CB 4.17Å; L242-E374 HydrophobicContact CD2-CG 3.86Å
243	E	90.9	Very high	91.5	Very high	2 Å²	2	17.1 Å²	17.1	1%	0.009	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-22.7	178	-62.1	-178	-107	0	0	112.8	H162 R163 F241 T245 L253	H162-E243 PolarHBondContact N-OE1 3.16Å; R163-E243 IonicContact CZ-OE1 3.82Å; R163-E243 IonicContact CZ-OE2 3.12Å; R163-E243 VanDerWaalsContact NH1-CD 3.28Å; R163-E243 IonicContact NH1-OE1 3.25Å; R163-E243 PolarHBondContact NH1-OE1 3.33Å; R163-E243 IonicContact NH1-OE2 2.67Å; R163-E243 PolarHBondContact NH1-OE2 3.14Å; R163-E243 IonicContact NH2-OE1 3.01Å; R163-E243 IonicContact NH2-OE2 2.83Å; F241-E243 PolarHBondContact O-N 3.03Å; E243-T245 PolarHBondContact O-N 3.35Å; E243-L253 HydrophobicContact CB-CB 4.06Å; E243-L253 HydrophobicContact CB-CD1 4.46Å; E243-L253 HydrophobicContact CG-CB 4.16Å; E243-L253 PolarHBondContact OE2-N 3.39Å
244	G	88.8	Confident	91.8	Very high	54 Å²	54	17.2 Å²	17.2	56%	0.557	11%	0.109	S	C	*	.	S	Bend	trans	73.3	-17.4	-179.3	0	0	0	0	0	115.7	F241 L242	F241-G244 PolarHBondContact O-N 3.35Å; L242-G244 PolarHBondContact O-N 2.86Å
245	T	89.4	Confident	92.4	Very high	66 Å²	66	17 Å²	17	41%	0.405	11%	0.106	S	C	.	.	S	Bend	trans	-149	163.9	174.4	-173.3	0	0	0	0	110.5	E243 R248 L253	E243-T245 PolarHBondContact O-N 3.35Å; T245-R248 PolarHBondContact OG1-NH1 3.35Å; T245-R248 VanDerWaalsContact OG1-NH1 3.08Å; T245-L253 HydrophobicContact CG2-CD1 3.52Å
246	R	91.9	Very high	92.9	Very high	19 Å²	19	21.6 Å²	21.6	7%	0.072	13%	0.126	C	C	.	.			trans	-70.1	136.2	173.6	-73.6	161.6	-66.2	133.8	-7.7	110.6	H162 Y165 R248 Y293	H162-R246 HydrophobicContact CB-CG 4.36Å; H162-R246 WeakPolarHBondContact CD2-CG 3.5Å; H162-R246 WeakPolarHBondContact NE2-CD 3.24Å; H162-R246 WeakPolarHBondContact NE2-CG 3.37Å; Y165-R246 VanDerWaalsContact CZ-CZ 3.41Å; Y165-R246 PolarHBondContact OH-NH1 3.39Å; Y165-R246 PolarHBondContact OH-NH2 3.39Å; Y165-R246 VanDerWaalsContact OH-NH2 3.1Å; R246-R248 WeakPolarHBondContact O-CD 3.23Å; R246-R248 PolarHBondContact O-N 3.11Å; R246-R248 PolarHBondContact O-NH1 3.36Å; R246-Y293 WeakPolarHBondContact CD-OH 3.4Å; R246-Y293 PolarHBondContact NH1-OH 3.41Å
247	S	92.4	Very high	93	Very high	3 Å²	3	24.4 Å²	24.4	2%	0.021	14%	0.137	C	C	.	.			trans	-74	123.4	170.2	-173.8	0	0	0	0	110.6	H162 R163 A250 K251	H162-S247 PolarHBondContact O-N 2.78Å; H162-S247 VanDerWaalsContact O-N 3.12Å; R163-S247 VanDerWaalsContact NH1-CB 3.32Å; S247-A250 WeakPolarHBondContact OG-CA 3.49Å; S247-A250 PolarHBondContact OG-N 3.26Å; S247-A250 VanDerWaalsContact OG-N 3.11Å; S247-K251 WeakPolarHBondContact CB-O 3.2Å; S247-K251 PolarHBondContact OG-N 2.9Å; S247-K251 VanDerWaalsContact OG-N 3.15Å; S247-K251 PolarHBondContact OG-O 3.4Å
248	R	93.3	Very high	92.8	Very high	36 Å²	36	25.8 Å²	25.8	14%	0.136	15%	0.152	C	C	.	.	S	Bend	trans	-84.2	-29.6	175.9	-84.7	57.8	176.4	-174.3	-0.4	111.6	T245 R246 Y293 E296 L297	T245-R248 PolarHBondContact OG1-NH1 3.35Å; T245-R248 VanDerWaalsContact OG1-NH1 3.08Å; R246-R248 WeakPolarHBondContact O-CD 3.23Å; R246-R248 PolarHBondContact O-N 3.11Å; R246-R248 PolarHBondContact O-NH1 3.36Å; R248-Y293 HydrophobicContact CB-CG 4.29Å; R248-Y293 HydrophobicContact CG-CD1 3.84Å; R248-Y293 HydrophobicContact CG-CE1 4.5Å; R248-Y293 HydrophobicContact CG-CG 3.86Å; R248-E296 HydrophobicContact CG-CB 4.39Å; R248-E296 IonicContact CZ-OE2 2.98Å; R248-E296 VanDerWaalsContact CZ-OE2 3.28Å; R248-E296 IonicContact NE-OE2 3.18Å; R248-E296 PolarHBondContact NE-OE2 3.38Å; R248-E296 IonicContact NH2-OE2 2.93Å; R248-E296 PolarHBondContact NH2-OE2 3.3Å; R248-L297 HydrophobicContact CB-CD1 4.28Å; R248-L297 HydrophobicContact CB-CD2 3.63Å; R248-L297 HydrophobicContact CB-CG 3.83Å
249	S	92.6	Very high	92.6	Very high	3 Å²	3	26.8 Å²	26.8	2%	0.021	16%	0.157	C	C	.	.	S	Bend	trans	-94	5.7	179	54.1	0	0	0	0	113.4	K251 N483 D626	S249-K251 PolarHBondContact O-N 3.15Å; S249-K251 VanDerWaalsContact OG-CE 3.28Å; S249-K251 WeakPolarHBondContact OG-CE 3.41Å; S249-N483 VanDerWaalsContact O-CB 3.25Å; S249-N483 WeakPolarHBondContact O-CB 3.29Å; S249-N483 PolarHBondContact O-ND2 3.34Å; S249-D626 WeakPolarHBondContact CB-OD2 3.36Å; S249-D626 PolarHBondContact OG-OD2 3.1Å
250	A	93.1	Very high	92.5	Very high	17 Å²	17	26.8 Å²	26.8	14%	0.14	16%	0.157	C	C	.	.	S	Bend	trans	58.7	5.1	-174.9	0	0	0	0	0	116.3	S247 A480 Q484	S247-A250 WeakPolarHBondContact OG-CA 3.49Å; S247-A250 PolarHBondContact OG-N 3.26Å; S247-A250 VanDerWaalsContact OG-N 3.11Å; A250-A480 HydrophobicContact CB-CB 4.4Å; A250-A480 WeakPolarHBondContact CB-O 3.38Å; A250-Q484 HydrophobicContact CB-CG 4.1Å
251	K	92.9	Very high	92.4	Very high	6 Å²	6	27.9 Å²	27.9	3%	0.026	16%	0.163	C	C	.	.	S	Bend	trans	-71.4	146.6	168.1	-64.8	-178.6	-59.8	-172.2	0	110.6	S247 S249 L253 N483 E524 N630	S247-K251 WeakPolarHBondContact CB-O 3.2Å; S247-K251 PolarHBondContact OG-N 2.9Å; S247-K251 VanDerWaalsContact OG-N 3.15Å; S247-K251 PolarHBondContact OG-O 3.4Å; S249-K251 PolarHBondContact O-N 3.15Å; S249-K251 VanDerWaalsContact OG-CE 3.28Å; S249-K251 WeakPolarHBondContact OG-CE 3.41Å; K251-L253 PolarHBondContact O-N 2.89Å; K251-N483 HydrophobicContact CG-CB 3.8Å; K251-E524 IonicContact NZ-OE2 2.71Å; K251-E524 PolarHBondContact NZ-OE2 2.96Å; K251-N630 PolarHBondContact NZ-ND2 3.27Å
252	T	91.9	Very high	92.3	Very high	9 Å²	9	27.4 Å²	27.4	6%	0.055	16%	0.161	C	C	.	.	P	Polyproline II helix	trans	-64.6	126	166.6	-53.2	0	0	0	0	109.6	R163 E374 V378 N487 I526	R163-T252 PolarHBondContact NH2-OG1 3.12Å; T252-E374 HydrophobicContact CG2-CB 4.42Å; T252-E374 HydrophobicContact CG2-CG 4.27Å; T252-V378 HydrophobicContact CG2-CG2 4.29Å; T252-V378 WeakPolarHBondContact OG1-CG2 3.4Å; T252-N487 PolarHBondContact OG1-ND2 2.88Å; T252-I526 HydrophobicContact CG2-CD1 4.38Å; T252-I526 HydrophobicContact CG2-CG1 3.84Å
253	L	91.9	Very high	92.4	Very high	36 Å²	36	27.4 Å²	27.4	19%	0.188	16%	0.161	C	C	.	.	P	Polyproline II helix	trans	-84.9	161.3	178.4	-55.4	-179.5	0	0	0	111.2	E243 T245 K251	E243-L253 HydrophobicContact CB-CB 4.06Å; E243-L253 HydrophobicContact CB-CD1 4.46Å; E243-L253 HydrophobicContact CG-CB 4.16Å; E243-L253 PolarHBondContact OE2-N 3.39Å; T245-L253 HydrophobicContact CG2-CD1 3.52Å; K251-L253 PolarHBondContact O-N 2.89Å
254	T	91.4	Very high	92.6	Very high	43 Å²	43	27.3 Å²	27.3	26%	0.264	16%	0.16	S	C	.	.	P	Polyproline II helix	trans	-68.2	143.9	175.9	50.9	0	0	0	0	112.2	I526	T254-I526 HydrophobicContact CG2-CD1 4.18Å
255	P	93.6	Very high	92.8	Very high	5 Å²	5	25.8 Å²	25.8	3%	0.032	14%	0.139	C	C	.	.	P	Polyproline II helix	trans	-71.6	148.2	-170.8	19.4	-20.3	0	0	0	112.1	L242 F257 A370 Y371 E374	L242-P255 HydrophobicContact CD2-CB 3.88Å; L242-P255 HydrophobicContact CG-CB 4.22Å; P255-F257 HydrophobicContact CB-CE1 4.22Å; P255-F257 HydrophobicContact CG-CE1 3.96Å; P255-F257 HydrophobicContact CG-CZ 4.39Å; P255-A370 HydrophobicContact CB-CB 3.76Å; P255-A370 HydrophobicContact CG-CB 3.95Å; P255-Y371 HydrophobicContact CG-CD1 4.32Å; P255-Y371 HydrophobicContact CG-CD2 3.77Å; P255-Y371 HydrophobicContact CG-CE1 4.26Å; P255-Y371 HydrophobicContact CG-CE2 3.71Å; P255-Y371 HydrophobicContact CG-CG 4.08Å; P255-E374 WeakPolarHBondContact CA-OE1 3.42Å; P255-E374 WeakPolarHBondContact CB-OE1 3.48Å; P255-E374 WeakPolarHBondContact CD-OE1 3.36Å; P255-E374 WeakPolarHBondContact CD-OE2 3.46Å; P255-E374 WeakPolarHBondContact CG-OE2 3.11Å; P255-E374 VanDerWaalsContact N-OE1 3.14Å
256	K	92.1	Very high	92.9	Very high	120 Å²	120	22.6 Å²	22.6	52%	0.522	12%	0.12	S	C	.	.	P	Polyproline II helix	trans	-102.3	121.8	169.1	-56	-54	178.2	-156.9	0	110.3	L242 G258	L242-K256 PolarHBondContact O-N 3.26Å; K256-G258 PolarHBondContact O-N 2.74Å
257	F	91.9	Very high	92.9	Very high	68 Å²	68	21.8 Å²	21.8	30%	0.298	12%	0.116	S	C	.	.	H	α-helix	trans	-80.9	-12.8	-173.2	-46.3	-60.3	0	0	0	114.7	P255 L260 N261 V366 T367 A370 Y371	P255-F257 HydrophobicContact CB-CE1 4.22Å; P255-F257 HydrophobicContact CG-CE1 3.96Å; P255-F257 HydrophobicContact CG-CZ 4.39Å; F257-L260 PolarHBondContact O-N 3.38Å; F257-N261 WeakPolarHBondContact O-CB 3.33Å; F257-N261 VanDerWaalsContact O-CG 3.26Å; F257-N261 PolarHBondContact O-N 2.68Å; F257-N261 PolarHBondContact O-ND2 3.03Å; F257-V366 HydrophobicContact CB-CG1 4.49Å; F257-T367 HydrophobicContact CE1-CG2 3.97Å; F257-T367 HydrophobicContact CZ-CG2 3.84Å; F257-A370 HydrophobicContact CD1-CB 3.78Å; F257-A370 HydrophobicContact CE1-CB 3.72Å; F257-Y371 HydrophobicContact CE1-CE2 4.32Å; F257-Y371 HydrophobicContact CZ-CE2 4.07Å
258	G	90.5	Very high	92.8	Very high	33 Å²	33	21.7 Å²	21.7	34%	0.34	12%	0.116	S	C	.	.	H	α-helix	trans	-56.6	-60.9	-169.3	0	0	0	0	0	114.3	K256 L260 N261 I262	K256-G258 PolarHBondContact O-N 2.74Å; G258-L260 VanDerWaalsContact C-N 3.35Å; G258-N261 PolarHBondContact O-N 3.38Å; G258-I262 PolarHBondContact O-N 3.33Å
259	L	93.2	Very high	92.6	Very high	23 Å²	23	20 Å²	20	12%	0.12	11%	0.109	C	C	.	.	H	α-helix	trans	-66.6	-38	177.2	-80.5	172.8	0	0	0	112.2	A186 M209 F223 F240 N261 I262 V263	A186-L259 HydrophobicContact CB-CD1 3.73Å; M209-L259 HydrophobicContact SD-CD1 3.92Å; F223-L259 HydrophobicContact CE1-CD2 3.62Å; F223-L259 HydrophobicContact CZ-CD2 3.79Å; F240-L259 HydrophobicContact CB-CD1 3.73Å; F240-L259 HydrophobicContact CD1-CB 4.42Å; F240-L259 HydrophobicContact CD2-CB 3.8Å; F240-L259 HydrophobicContact CD2-CD1 3.92Å; F240-L259 HydrophobicContact CE1-CB 4.37Å; F240-L259 HydrophobicContact CE2-CB 3.76Å; F240-L259 HydrophobicContact CG-CB 4.14Å; F240-L259 HydrophobicContact CG-CD1 3.84Å; F240-L259 HydrophobicContact CZ-CB 4.07Å; L259-N261 VanDerWaalsContact C-N 3.3Å; L259-N261 PolarHBondContact O-N 3.49Å; L259-I262 HydrophobicContact CD2-CD1 4.43Å; L259-I262 WeakPolarHBondContact O-CB 3.49Å; L259-I262 PolarHBondContact O-N 2.94Å; L259-I262 VanDerWaalsContact O-N 3.07Å; L259-V263 PolarHBondContact O-N 3.26Å
260	L	95.1	Very high	92.5	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-59	-43	178.7	-171.8	63.9	0	0	0	111.6	F240 L242 F257 G258 I262 V263 M264 L277 V366 A370	F240-L260 HydrophobicContact CE2-CB 4.46Å; F240-L260 HydrophobicContact CZ-CB 4.28Å; F240-L260 HydrophobicContact CZ-CD1 4.21Å; L242-L260 HydrophobicContact CD1-CD1 4.32Å; L242-L260 HydrophobicContact CD1-CD2 4.36Å; F257-L260 PolarHBondContact O-N 3.38Å; G258-L260 VanDerWaalsContact C-N 3.35Å; L260-I262 VanDerWaalsContact C-N 3.33Å; L260-I262 PolarHBondContact O-N 2.88Å; L260-V263 HydrophobicContact CD1-CG2 4.09Å; L260-V263 WeakPolarHBondContact O-CG2 3.43Å; L260-V263 PolarHBondContact O-N 2.87Å; L260-M264 HydrophobicContact CD1-CG 4.27Å; L260-M264 HydrophobicContact CD1-SD 3.86Å; L260-M264 HydrophobicContact CD2-SD 4.23Å; L260-M264 HydrophobicContact CG-CG 4.44Å; L260-M264 HydrophobicContact CG-SD 3.63Å; L260-M264 WeakPolarHBondContact O-CB 3.48Å; L260-M264 WeakPolarHBondContact O-CG 3.37Å; L260-M264 PolarHBondContact O-N 2.88Å; L260-M264 VanDerWaalsContact O-N 3.07Å; L260-L277 HydrophobicContact CD1-CD1 4.28Å; L260-V366 HydrophobicContact CB-CG1 4.34Å; L260-V366 HydrophobicContact CD2-CG1 3.78Å; L260-V366 HydrophobicContact CG-CG1 3.94Å; L260-A370 HydrophobicContact CD2-CB 3.45Å; L260-A370 VanDerWaalsContact CD2-CB 3.45Å
261	N	93.3	Very high	92.3	Very high	27 Å²	27	26.5 Å²	26.5	14%	0.144	13%	0.132	C	C	.	.	H	α-helix	trans	-57	-45.4	173.4	-81.6	-41.3	0	0	0	112.1	F257 G258 L259 M264 E265 Q358 V366	F257-N261 WeakPolarHBondContact O-CB 3.33Å; F257-N261 VanDerWaalsContact O-CG 3.26Å; F257-N261 PolarHBondContact O-N 2.68Å; F257-N261 PolarHBondContact O-ND2 3.03Å; G258-N261 PolarHBondContact O-N 3.38Å; L259-N261 VanDerWaalsContact C-N 3.3Å; L259-N261 PolarHBondContact O-N 3.49Å; N261-M264 PolarHBondContact O-N 2.96Å; N261-E265 PolarHBondContact O-N 2.97Å; N261-E265 VanDerWaalsContact O-N 3.13Å; N261-Q358 PolarHBondContact OD1-NE2 3Å; N261-Q358 PolarHBondContact OD1-OE1 3.28Å; N261-Q358 VanDerWaalsContact OD1-OE1 3.11Å; N261-V366 WeakPolarHBondContact OD1-CB 3.32Å; N261-V366 VanDerWaalsContact OD1-CG1 3.26Å; N261-V366 WeakPolarHBondContact OD1-CG1 3.49Å; N261-V366 VanDerWaalsContact OD1-CG2 3.31Å; N261-V366 WeakPolarHBondContact OD1-CG2 3.31Å
262	I	94.4	Very high	92.3	Very high	5 Å²	5	27 Å²	27	3%	0.026	14%	0.135	C	C	.	.	H	α-helix	trans	-64.8	-44.6	-179.1	-63.6	167	0	0	0	110.7	W220 F223 V227 K228 G258 L259 L260 M264 E265 P266	W220-I262 HydrophobicContact CH2-CD1 3.54Å; W220-I262 HydrophobicContact CH2-CG1 4.06Å; W220-I262 HydrophobicContact CZ2-CD1 3.92Å; W220-I262 HydrophobicContact CZ2-CG1 4.04Å; W220-I262 HydrophobicContact CZ3-CD1 4Å; F223-I262 HydrophobicContact CD1-CD1 3.93Å; F223-I262 HydrophobicContact CE1-CD1 3.9Å; V227-I262 HydrophobicContact CB-CG2 3.72Å; V227-I262 HydrophobicContact CG1-CG2 3.76Å; K228-I262 HydrophobicContact CG-CG2 4.12Å; G258-I262 PolarHBondContact O-N 3.33Å; L259-I262 HydrophobicContact CD2-CD1 4.43Å; L259-I262 WeakPolarHBondContact O-CB 3.49Å; L259-I262 PolarHBondContact O-N 2.94Å; L259-I262 VanDerWaalsContact O-N 3.07Å; L260-I262 VanDerWaalsContact C-N 3.33Å; L260-I262 PolarHBondContact O-N 2.88Å; I262-M264 VanDerWaalsContact C-N 3.31Å; I262-M264 PolarHBondContact O-N 3.38Å; I262-E265 PolarHBondContact O-N 2.79Å; I262-P266 VanDerWaalsContact O-CD 3.24Å; I262-P266 WeakPolarHBondContact O-CD 3.32Å
263	V	95.9	Very high	92.3	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-72.6	-23.8	-177.4	-61.3	0	0	0	0	113.6	V157 V227 L231 F240 L259 L260	V157-V263 HydrophobicContact CG1-CG2 4.41Å; V157-V263 HydrophobicContact CG2-CB 4.01Å; V157-V263 HydrophobicContact CG2-CG1 4.35Å; V157-V263 HydrophobicContact CG2-CG2 4.25Å; V227-V263 HydrophobicContact CG1-CG1 3.8Å; L231-V263 VanDerWaalsContact CD1-CA 3.47Å; L231-V263 HydrophobicContact CD1-CB 3.62Å; L231-V263 HydrophobicContact CD1-CG1 3.97Å; L231-V263 WeakPolarHBondContact CD1-O 3.38Å; F240-V263 HydrophobicContact CE1-CG1 3.86Å; F240-V263 HydrophobicContact CE1-CG2 3.93Å; F240-V263 HydrophobicContact CZ-CG2 4Å; L259-V263 PolarHBondContact O-N 3.26Å; L260-V263 HydrophobicContact CD1-CG2 4.09Å; L260-V263 WeakPolarHBondContact O-CG2 3.43Å; L260-V263 PolarHBondContact O-N 2.87Å
264	M	94.6	Very high	92.4	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-85.8	-20.8	176.2	-64.1	172.6	73.5	0	0	112.7	L260 N261 I262 F267 F268 L334 F365 V366 V369	L260-M264 HydrophobicContact CD1-CG 4.27Å; L260-M264 HydrophobicContact CD1-SD 3.86Å; L260-M264 HydrophobicContact CD2-SD 4.23Å; L260-M264 HydrophobicContact CG-CG 4.44Å; L260-M264 HydrophobicContact CG-SD 3.63Å; L260-M264 WeakPolarHBondContact O-CB 3.48Å; L260-M264 WeakPolarHBondContact O-CG 3.37Å; L260-M264 PolarHBondContact O-N 2.88Å; L260-M264 VanDerWaalsContact O-N 3.07Å; N261-M264 PolarHBondContact O-N 2.96Å; I262-M264 VanDerWaalsContact C-N 3.31Å; I262-M264 PolarHBondContact O-N 3.38Å; M264-F267 WeakPolarHBondContact O-CB 3.27Å; M264-F267 PolarHBondContact O-N 3.21Å; M264-F267 VanDerWaalsContact O-N 3.14Å; M264-F268 HydrophobicContact CB-CD2 4.23Å; M264-F268 HydrophobicContact CB-CE1 4.36Å; M264-F268 HydrophobicContact CB-CE2 3.49Å; M264-F268 VanDerWaalsContact CB-CE2 3.49Å; M264-F268 HydrophobicContact CB-CZ 3.58Å; M264-F268 HydrophobicContact CE-CE1 4.21Å; M264-F268 HydrophobicContact CE-CZ 3.59Å; M264-F268 HydrophobicContact CG-CZ 4.48Å; M264-F268 VanDerWaalsContact O-CD2 3.32Å; M264-F268 WeakPolarHBondContact O-CD2 3.4Å; M264-F268 WeakPolarHBondContact O-CG 3.36Å; M264-F268 PolarHBondContact O-N 2.85Å; M264-F268 VanDerWaalsContact O-N 3.16Å; M264-F268 HydrophobicContact SD-CZ 4.42Å; M264-L334 HydrophobicContact CB-CD1 4.09Å; M264-L334 HydrophobicContact CE-CD2 3.64Å; M264-L334 HydrophobicContact CG-CD1 3.72Å; M264-L334 HydrophobicContact CG-CD2 4.18Å; M264-L334 HydrophobicContact SD-CD2 4.41Å; M264-F365 HydrophobicContact CE-CD1 3.65Å; M264-F365 HydrophobicContact CE-CE1 3.31Å; M264-F365 HydrophobicContact CE-CZ 4.45Å; M264-V366 HydrophobicContact CE-CG2 3.96Å; M264-V366 HydrophobicContact SD-CB 4.3Å; M264-V366 HydrophobicContact SD-CG1 3.97Å; M264-V366 HydrophobicContact SD-CG2 3.82Å; M264-V369 HydrophobicContact CE-CB 4.13Å; M264-V369 HydrophobicContact CE-CG1 4.18Å; M264-V369 HydrophobicContact CE-CG2 3.96Å; M264-V369 HydrophobicContact SD-CG1 4.39Å
265	E	92.6	Very high	92.6	Very high	22 Å²	22	29 Å²	29	10%	0.103	14%	0.138	C	C	.	.	H	α-helix	trans	-57.6	-44.4	-177.2	-173.6	174.4	-141.6	0	0	114.1	K228 N261 I262 F267 F268 K269	K228-E265 HydrophobicContact CD-CB 4.36Å; K228-E265 HydrophobicContact CD-CG 4.34Å; K228-E265 WeakPolarHBondContact CD-OE2 3.4Å; K228-E265 WeakPolarHBondContact CE-OE2 3.45Å; K228-E265 IonicContact NZ-OE2 2.72Å; K228-E265 PolarHBondContact NZ-OE2 3.23Å; N261-E265 PolarHBondContact O-N 2.97Å; N261-E265 VanDerWaalsContact O-N 3.13Å; I262-E265 PolarHBondContact O-N 2.79Å; E265-F267 PolarHBondContact O-N 2.79Å; E265-F268 WeakPolarHBondContact O-CB 3.33Å; E265-F268 PolarHBondContact O-N 3.18Å; E265-K269 HydrophobicContact CG-CD 4.01Å; E265-K269 HydrophobicContact CG-CG 4.17Å; E265-K269 PolarHBondContact O-N 3.41Å; E265-K269 WeakPolarHBondContact OE1-CE 3.32Å; E265-K269 IonicContact OE1-NZ 3.14Å; E265-K269 PolarHBondContact OE1-NZ 3.29Å
266	P	92.8	Very high	92.8	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-56.7	-35.5	176.5	-28.7	37.2	0	0	0	113.4	K228 L231 I262 R270 E271 V272	K228-P266 HydrophobicContact CB-CG 4Å; K228-P266 HydrophobicContact CD-CG 4.35Å; K228-P266 HydrophobicContact CG-CG 3.76Å; L231-P266 HydrophobicContact CB-CG 4.48Å; L231-P266 HydrophobicContact CD1-CG 4.33Å; I262-P266 VanDerWaalsContact O-CD 3.24Å; I262-P266 WeakPolarHBondContact O-CD 3.32Å; P266-R270 PolarHBondContact O-N 3.48Å; P266-R270 VanDerWaalsContact O-N 3.17Å; P266-E271 HydrophobicContact CB-CB 4.24Å; P266-E271 PolarHBondContact O-N 3.24Å; P266-V272 HydrophobicContact CB-CG1 4.24Å; P266-V272 HydrophobicContact CB-CG2 3.96Å; P266-V272 PolarHBondContact O-N 3.15Å
267	F	92.4	Very high	93.1	Very high	1 Å²	1	24.7 Å²	24.7	0%	0.004	12%	0.118	C	C	.	.	H	α-helix	trans	-70.8	-40.4	176	165	-100.5	0	0	0	111.7	M264 E265 R270 V272 L334 R335 A338 M342 R344	M264-F267 WeakPolarHBondContact O-CB 3.27Å; M264-F267 PolarHBondContact O-N 3.21Å; M264-F267 VanDerWaalsContact O-N 3.14Å; E265-F267 PolarHBondContact O-N 2.79Å; F267-R270 PolarHBondContact O-N 3.06Å; F267-V272 HydrophobicContact CB-CG2 4.1Å; F267-L334 HydrophobicContact CB-CD1 4.09Å; F267-L334 HydrophobicContact CD1-CB 4.01Å; F267-L334 HydrophobicContact CD1-CD1 4.21Å; F267-L334 HydrophobicContact CD2-CB 4.44Å; F267-L334 HydrophobicContact CE1-CB 4.24Å; F267-L334 HydrophobicContact CG-CB 4.14Å; F267-L334 HydrophobicContact CG-CD1 4.24Å; F267-R335 HydrophobicContact CE2-CB 3.75Å; F267-R335 HydrophobicContact CE2-CG 4.23Å; F267-R335 HydrophobicContact CZ-CB 4.17Å; F267-A338 HydrophobicContact CE1-CB 3.74Å; F267-A338 HydrophobicContact CZ-CB 3.76Å; F267-M342 HydrophobicContact CE1-SD 4.23Å; F267-R344 PolarHBondContact O-NH1 3.05Å
268	F	89.9	Confident	93.4	Very high	1 Å²	1	21.5 Å²	21.5	0%	0.004	11%	0.105	C	C	.	.	H	α-helix	trans	-64.1	-44.1	177	-57.7	-35.9	0	0	0	112	M264 E265 R270 M342 Y347 M362 F365 V366	M264-F268 HydrophobicContact CB-CD2 4.23Å; M264-F268 HydrophobicContact CB-CE1 4.36Å; M264-F268 HydrophobicContact CB-CE2 3.49Å; M264-F268 VanDerWaalsContact CB-CE2 3.49Å; M264-F268 HydrophobicContact CB-CZ 3.58Å; M264-F268 HydrophobicContact CE-CE1 4.21Å; M264-F268 HydrophobicContact CE-CZ 3.59Å; M264-F268 HydrophobicContact CG-CZ 4.48Å; M264-F268 VanDerWaalsContact O-CD2 3.32Å; M264-F268 WeakPolarHBondContact O-CD2 3.4Å; M264-F268 WeakPolarHBondContact O-CG 3.36Å; M264-F268 PolarHBondContact O-N 2.85Å; M264-F268 VanDerWaalsContact O-N 3.16Å; M264-F268 HydrophobicContact SD-CZ 4.42Å; E265-F268 WeakPolarHBondContact O-CB 3.33Å; E265-F268 PolarHBondContact O-N 3.18Å; F268-R270 PolarHBondContact O-N 2.91Å; F268-M342 HydrophobicContact CD1-SD 3.93Å; F268-M342 HydrophobicContact CE1-CE 3.88Å; F268-M342 HydrophobicContact CE1-SD 3.85Å; F268-Y347 HydrophobicContact CB-CD2 4.4Å; F268-Y347 HydrophobicContact CB-CE2 3.93Å; F268-M362 HydrophobicContact CB-CE 3.63Å; F268-M362 HydrophobicContact CD1-CE 3.88Å; F268-M362 HydrophobicContact CD2-CE 3.06Å; F268-M362 HydrophobicContact CE1-CE 4.27Å; F268-M362 HydrophobicContact CE2-CE 3.53Å; F268-M362 HydrophobicContact CG-CE 3.26Å; F268-M362 HydrophobicContact CZ-CE 4.1Å; F268-F365 HydrophobicContact CE1-CD1 4.13Å; F268-F365 HydrophobicContact CE1-CE1 4.12Å; F268-F365 HydrophobicContact CZ-CD1 4.04Å; F268-F365 HydrophobicContact CZ-CE1 4.29Å; F268-V366 HydrophobicContact CE2-CG2 3.99Å; F268-V366 HydrophobicContact CZ-CG2 3.93Å
269	K	89.2	Confident	93.8	Very high	1 Å²	1	20 Å²	20	0%	0.004	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-1.3	176.3	-69.9	-172.6	178	-178.4	0	114	E80 E265 E271 Y347 R352	E80-K269 IonicContact OE2-NZ 3.69Å; E80-K269 PolarHBondContact OE2-NZ 3.27Å; E265-K269 HydrophobicContact CG-CD 4.01Å; E265-K269 HydrophobicContact CG-CG 4.17Å; E265-K269 PolarHBondContact O-N 3.41Å; E265-K269 WeakPolarHBondContact OE1-CE 3.32Å; E265-K269 IonicContact OE1-NZ 3.14Å; E265-K269 PolarHBondContact OE1-NZ 3.29Å; K269-E271 HydrophobicContact CB-CG 3.91Å; K269-E271 PolarHBondContact O-N 2.98Å; K269-Y347 HydrophobicContact CG-CD1 3.75Å; K269-Y347 HydrophobicContact CG-CE1 4.01Å; K269-Y347 HydrophobicContact CG-CG 4.37Å; K269-R352 PolarHBondContact NZ-O 3Å; K269-R352 PolarHBondContact O-NE 3.49Å
270	R	89.7	Confident	94	Very high	106 Å²	106	18.9 Å²	18.9	40%	0.4	8%	0.083	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.9	35.3	-177.9	-49.7	177.2	-179.5	-163.9	-3.6	112.9	P266 F267 F268 N348	P266-R270 PolarHBondContact O-N 3.48Å; P266-R270 VanDerWaalsContact O-N 3.17Å; F267-R270 PolarHBondContact O-N 3.06Å; F268-R270 PolarHBondContact O-N 2.91Å; R270-N348 PolarHBondContact NH1-ND2 2.79Å
271	E	89.8	Confident	94.1	Very high	51 Å²	51	19 Å²	19	24%	0.238	8%	0.084	C	C	.	.	S	Bend	trans	-82.4	-28.1	171.1	-59	-178.7	146.6	0	0	110.9	R232 P266 K269	R232-E271 HydrophobicContact CG-CB 4.2Å; R232-E271 IonicContact NH1-OE1 3.02Å; R232-E271 IonicContact NH1-OE2 2.68Å; P266-E271 HydrophobicContact CB-CB 4.24Å; P266-E271 PolarHBondContact O-N 3.24Å; K269-E271 HydrophobicContact CB-CG 3.91Å; K269-E271 PolarHBondContact O-N 2.98Å
272	V	91.7	Very high	94.2	Very high	15 Å²	15	17.9 Å²	17.9	9%	0.091	8%	0.078	C	C	.	.	S	Bend	trans	-122.3	150.9	168.8	-58.5	0	0	0	0	109.8	P155 R232 P266 F267	P155-V272 HydrophobicContact CG-CG1 4.3Å; R232-V272 HydrophobicContact CG-CG1 4.41Å; P266-V272 HydrophobicContact CB-CG1 4.24Å; P266-V272 HydrophobicContact CB-CG2 3.96Å; P266-V272 PolarHBondContact O-N 3.15Å; F267-V272 HydrophobicContact CB-CG2 4.1Å
273	F	91.9	Very high	94.3	Very high	124 Å²	124	18 Å²	18	54%	0.544	8%	0.079	S	C	.	.	S	Bend	trans	-70.2	-43.9	-179.7	-178.4	-99.6	0	0	0	111.9	H154	H154-F273 AromaticContact CE1-CD1 3.54Å; H154-F273 AromaticContact NE2-CD1 3.8Å
274	D	94.1	Very high	94.3	Very high	6 Å²	6	18.5 Å²	18.5	3%	0.032	8%	0.081	C	C	.	.			trans	-152.2	164.7	177.1	-156.3	-3.9	0	0	0	109.6	H154 S333 L334 R335	H154-D274 HydrophobicContact CB-CB 4.47Å; D274-S333 PolarHBondContact OD1-OG 2.95Å; D274-S333 WeakPolarHBondContact OD2-CB 3.44Å; D274-S333 PolarHBondContact OD2-OG 3.48Å; D274-L334 PolarHBondContact OD1-N 3.13Å; D274-R335 HydrophobicContact CB-CB 4.19Å; D274-R335 WeakPolarHBondContact OD1-CB 3.35Å; D274-R335 PolarHBondContact OD1-N 3.31Å; D274-R335 WeakPolarHBondContact OD2-CB 3.44Å
275	T	95.8	Very high	94.3	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	9%	0.088	C	C	.	.			trans	-136.3	132.2	169.7	-55.6	0	0	0	0	107.2	P155 V157 L277 L334	P155-T275 WeakPolarHBondContact O-CA 3.23Å; P155-T275 WeakPolarHBondContact O-CG2 3.35Å; V157-T275 HydrophobicContact CG2-CG2 3.81Å; T275-L277 HydrophobicContact CG2-CD2 4.47Å; T275-L334 HydrophobicContact CG2-CD1 4.39Å; T275-L334 WeakPolarHBondContact O-CG 3.39Å; T275-L334 PolarHBondContact O-N 3.19Å
276	Y	97.6	Very high	94.3	Very high	35 Å²	35	19.4 Å²	19.4	14%	0.137	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	126.2	174	-70.9	-57.1	0	0	0	110.6	A150 E153 H154 P155 V156 V157 P331	A150-Y276 HydrophobicContact CB-CD2 3.68Å; A150-Y276 HydrophobicContact CB-CE2 4.13Å; A150-Y276 HydrophobicContact CB-CG 4.22Å; E153-Y276 HydrophobicContact CB-CE2 4Å; E153-Y276 PolarHBondContact OE2-OH 3.33Å; H154-Y276 HydrophobicContact CB-CD2 3.81Å; H154-Y276 HydrophobicContact CB-CE2 3.84Å; H154-Y276 AromaticContact CD2-CE2 3.62Å; H154-Y276 AromaticContact CD2-CZ 3.81Å; P155-Y276 PolarHBondContact O-N 2.83Å; V156-Y276 WeakPolarHBondContact CA-O 3.5Å; V157-Y276 PolarHBondContact N-O 2.99Å; Y276-P331 HydrophobicContact CD1-CB 4.19Å; Y276-P331 HydrophobicContact CG-CB 4.22Å
277	L	98.6	Very high	94.3	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	123.4	169.3	-55.7	-173.7	0	0	0	108.9	V157 L159 L260 T275 V332 L334 V369 M373	V157-L277 HydrophobicContact CB-CD2 3.74Å; V157-L277 HydrophobicContact CG1-CD2 4.18Å; V157-L277 HydrophobicContact CG2-CD2 4.1Å; L159-L277 HydrophobicContact CD1-CB 4.06Å; L159-L277 HydrophobicContact CD1-CD1 4.45Å; L260-L277 HydrophobicContact CD1-CD1 4.28Å; T275-L277 HydrophobicContact CG2-CD2 4.47Å; L277-V332 PolarHBondContact N-O 3.46Å; L277-V332 PolarHBondContact O-N 3.27Å; L277-L334 HydrophobicContact CD1-CD2 3.62Å; L277-L334 HydrophobicContact CD1-CG 4.44Å; L277-L334 HydrophobicContact CG-CD2 3.92Å; L277-L334 HydrophobicContact CG-CG 4.21Å; L277-V369 HydrophobicContact CD1-CG1 3.43Å; L277-V369 VanDerWaalsContact CD1-CG1 3.43Å; L277-M373 HydrophobicContact CB-SD 3.77Å; L277-M373 HydrophobicContact CD1-CG 4.15Å; L277-M373 HydrophobicContact CD1-SD 4.17Å
278	V	98.4	Very high	94.1	Very high	1 Å²	1	23 Å²	23	1%	0.006	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	105.2	-177.4	-174.9	0	0	0	0	109	L147 V156 V157 L158 L159 I280 P331	L147-V278 HydrophobicContact CD1-CG2 4.11Å; V156-V278 HydrophobicContact CG1-CG2 3.74Å; V157-V278 PolarHBondContact O-N 2.84Å; L158-V278 HydrophobicContact CD2-CB 4.14Å; L158-V278 HydrophobicContact CD2-CG2 4.39Å; L159-V278 PolarHBondContact N-O 3.31Å; V278-I280 HydrophobicContact CG1-CD1 4.36Å; V278-I280 HydrophobicContact CG1-CG1 4.02Å; V278-P331 HydrophobicContact CG2-CB 4.02Å; V278-P331 HydrophobicContact CG2-CG 4.13Å
279	P	98	Very high	94.1	Very high	1 Å²	1	23.7 Å²	23.7	1%	0.006	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	128.5	174.3	30	-31.7	0	0	0	109.5	G329 L376 Q377	P279-G329 WeakPolarHBondContact O-CA 3.42Å; P279-G329 PolarHBondContact O-N 2.88Å; P279-L376 HydrophobicContact CB-CB 3.91Å; P279-L376 HydrophobicContact CG-CB 3.77Å; P279-L376 HydrophobicContact CG-CD1 4.01Å; P279-Q377 HydrophobicContact CB-CG 3.97Å
280	I	98.1	Very high	93.9	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	129.9	-178.3	-58.9	160.9	0	0	0	108.8	L158 L159 P160 S161 L171 V278 I282 V326 Y327 F328	L158-I280 HydrophobicContact CB-CD1 3.93Å; L158-I280 HydrophobicContact CD2-CD1 4.06Å; L158-I280 HydrophobicContact CG-CD1 4.45Å; L159-I280 PolarHBondContact O-N 3.36Å; P160-I280 CarbonylContact C-O 3.57Å; P160-I280 VanDerWaalsContact CA-O 3.32Å; P160-I280 WeakPolarHBondContact CA-O 3.39Å; P160-I280 HydrophobicContact CB-CB 4.35Å; S161-I280 PolarHBondContact N-O 2.79Å; L171-I280 HydrophobicContact CD1-CD1 3.57Å; L171-I280 HydrophobicContact CD2-CD1 4.4Å; L171-I280 HydrophobicContact CD2-CG2 4.04Å; V278-I280 HydrophobicContact CG1-CD1 4.36Å; V278-I280 HydrophobicContact CG1-CG1 4.02Å; I280-I282 HydrophobicContact CG2-CG1 4.39Å; I280-V326 HydrophobicContact CG2-CG1 3.82Å; I280-Y327 WeakPolarHBondContact CA-O 3.31Å; I280-F328 HydrophobicContact CD1-CD1 3.76Å; I280-F328 HydrophobicContact CD1-CE1 3.66Å; I280-F328 HydrophobicContact CG1-CD1 3.77Å; I280-F328 HydrophobicContact CG1-CE1 4.13Å; I280-F328 HydrophobicContact CG1-CG 4.41Å
281	S	96.6	Very high	93.7	Very high	3 Å²	3	22.1 Å²	22.1	2%	0.021	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	132.5	175.7	-154.4	0	0	0	0	109.8	V326 Y327 Q377 M381	S281-V326 WeakPolarHBondContact O-CA 3.33Å; S281-Y327 PolarHBondContact N-O 3.31Å; S281-Y327 PolarHBondContact O-N 3.49Å; S281-Q377 WeakPolarHBondContact CB-O 3.16Å; S281-Q377 PolarHBondContact OG-O 2.85Å; S281-M381 VanDerWaalsContact OG-CA 3.24Å; S281-M381 WeakPolarHBondContact OG-CA 3.35Å; S281-M381 WeakPolarHBondContact OG-CB 3.45Å
282	I	96.9	Very high	93.6	Very high	4 Å²	4	22.1 Å²	22.1	2%	0.021	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	113.5	177.2	-51.1	177.9	0	0	0	107.8	P160 S161 D167 L171 I280 Y284 I324 V326	P160-I282 HydrophobicContact CB-CD1 4.01Å; S161-I282 PolarHBondContact OG-N 3.37Å; D167-I282 HydrophobicContact CB-CD1 4.14Å; L171-I282 HydrophobicContact CD2-CD1 4.46Å; I280-I282 HydrophobicContact CG2-CG1 4.39Å; I282-Y284 HydrophobicContact CB-CE2 4.33Å; I282-Y284 HydrophobicContact CG2-CD2 4.21Å; I282-Y284 HydrophobicContact CG2-CE2 3.38Å; I282-I324 HydrophobicContact CG2-CG2 4.06Å; I282-V326 HydrophobicContact CG1-CG1 4.38Å; I282-V326 HydrophobicContact CG2-CG2 4.27Å
283	S	95.8	Very high	93.5	Very high	8 Å²	8	21.6 Å²	21.6	6%	0.056	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	138.2	-179.5	-65.9	0	0	0	0	110.9	I324 H325 M381 V382	S283-I324 CarbonylContact O-C 3.52Å; S283-I324 WeakPolarHBondContact O-CA 3.48Å; S283-H325 PolarHBondContact N-O 2.84Å; S283-H325 PolarHBondContact O-N 2.83Å; S283-M381 WeakPolarHBondContact OG-CG 3.46Å; S283-V382 WeakPolarHBondContact CB-O 3.15Å; S283-V382 PolarHBondContact OG-N 3.48Å; S283-V382 PolarHBondContact OG-O 2.82Å
284	Y	95.3	Very high	93.5	Very high	10 Å²	10	15.8 Å²	15.8	4%	0.039	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	136.2	-177.7	-67.7	-87.8	0	0	0	109.6	R163 I166 D167 I282 I287 I324	R163-Y284 HydrophobicContact CB-CD2 4.24Å; R163-Y284 HydrophobicContact CB-CE2 4.19Å; I166-Y284 HydrophobicContact CD1-CE1 3.79Å; I166-Y284 HydrophobicContact CG1-CE1 4.17Å; I166-Y284 VanDerWaalsContact CG1-OH 3.25Å; I166-Y284 WeakPolarHBondContact CG1-OH 3.29Å; D167-Y284 WeakPolarHBondContact OD1-CE2 3.32Å; D167-Y284 VanDerWaalsContact OD1-CZ 3.32Å; D167-Y284 PolarHBondContact OD1-OH 2.86Å; I282-Y284 HydrophobicContact CB-CE2 4.33Å; I282-Y284 HydrophobicContact CG2-CD2 4.21Å; I282-Y284 HydrophobicContact CG2-CE2 3.38Å; Y284-I287 HydrophobicContact CD1-CG2 4.32Å; Y284-I287 HydrophobicContact CD2-CG2 3.81Å; Y284-I287 HydrophobicContact CG-CG2 3.67Å; Y284-I324 HydrophobicContact CD1-CD1 4.29Å; Y284-I324 HydrophobicContact CD1-CG1 3.7Å; Y284-I324 HydrophobicContact CD1-CG2 4.29Å; Y284-I324 HydrophobicContact CE1-CB 4.44Å; Y284-I324 HydrophobicContact CE1-CD1 3.78Å; Y284-I324 HydrophobicContact CE1-CG1 3.65Å; Y284-I324 HydrophobicContact CE1-CG2 3.96Å
285	D	94.6	Very high	93.2	Very high	25 Å²	25	17.3 Å²	17.3	13%	0.134	9%	0.087	C	C	.	.	S	Bend	trans	-63.3	-48.6	163.3	-72	-22.5	0	0	0	109.4	S323 S384 L441 H442 Y481	D285-S323 PolarHBondContact N-O 3.34Å; D285-S323 WeakPolarHBondContact OD2-CB 3.43Å; D285-S323 PolarHBondContact OD2-N 3.3Å; D285-S384 WeakPolarHBondContact OD1-CB 3.26Å; D285-L441 HydrophobicContact CB-CD2 3.83Å; D285-H442 PolarHBondContact O-CE1 3.49Å; D285-H442 PolarHBondContact O-NE2 3.38Å; D285-Y481 WeakPolarHBondContact O-CE1 3.44Å
286	K	93.5	Very high	93	Very high	15 Å²	15	18.6 Å²	18.6	7%	0.065	9%	0.093	C	C	.	.	S	Bend	trans	-142.1	131.7	175.7	-172	175.6	176.1	175.8	0	111.3	F321 N444	K286-F321 HydrophobicContact CB-CB 4.45Å; K286-F321 HydrophobicContact CB-CD1 4.21Å; K286-F321 HydrophobicContact CD-CD1 4.17Å; K286-F321 HydrophobicContact CG-CD1 3.93Å; K286-F321 HydrophobicContact CG-CE1 4.45Å; K286-F321 PolarHBondContact N-O 2.96Å; K286-N444 PolarHBondContact NZ-OD1 2.88Å; K286-N444 VanDerWaalsContact NZ-OD1 3.15Å
287	I	92.6	Very high	92.7	Very high	32 Å²	32	17.1 Å²	17.1	16%	0.164	9%	0.088	C	C	.	.			trans	-89.6	153.5	174.8	59.8	164.7	0	0	0	111.6	Y284 E289 E290 Y293	Y284-I287 HydrophobicContact CD1-CG2 4.32Å; Y284-I287 HydrophobicContact CD2-CG2 3.81Å; Y284-I287 HydrophobicContact CG-CG2 3.67Å; I287-E289 HydrophobicContact CD1-CB 4.41Å; I287-E289 PolarHBondContact O-N 2.97Å; I287-E290 HydrophobicContact CG1-CB 3.98Å; I287-Y293 HydrophobicContact CD1-CD2 3.44Å; I287-Y293 VanDerWaalsContact CD1-CD2 3.44Å; I287-Y293 HydrophobicContact CD1-CE2 3.43Å; I287-Y293 VanDerWaalsContact CD1-CE2 3.43Å
288	L	88.8	Confident	92.3	Very high	46 Å²	46	17.8 Å²	17.8	24%	0.241	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-27.2	178.7	-70.1	74.6	0	0	0	112.2	I133 F134 I166 I316 F321	I133-L288 HydrophobicContact CD1-CD2 4.26Å; F134-L288 HydrophobicContact CZ-CD1 3.85Å; I166-L288 HydrophobicContact CD1-CD1 4.34Å; I166-L288 HydrophobicContact CG2-CD1 4.45Å; I166-L288 HydrophobicContact CG2-CD2 4.37Å; L288-I316 HydrophobicContact CD2-CG2 3.81Å; L288-I316 HydrophobicContact CG-CG2 4.18Å; L288-F321 HydrophobicContact CB-CE1 4.37Å; L288-F321 HydrophobicContact CD1-CD1 4.38Å; L288-F321 HydrophobicContact CG-CD1 4.36Å; L288-F321 HydrophobicContact CG-CE1 4.1Å; L288-F321 HydrophobicContact CG-CZ 4.22Å
289	E	88.6	Confident	91.7	Very high	14 Å²	14	19.3 Å²	19.3	7%	0.065	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.7	6	-171.6	-55.5	80	-176.5	0	0	114.1	S164 Y165 I287 T291 L292 Y293	S164-E289 WeakPolarHBondContact CB-OE2 3.29Å; S164-E289 VanDerWaalsContact OG-CD 3.28Å; S164-E289 PolarHBondContact OG-OE1 3.37Å; S164-E289 PolarHBondContact OG-OE2 2.88Å; Y165-E289 VanDerWaalsContact CB-OE1 3.29Å; Y165-E289 WeakPolarHBondContact CB-OE1 3.3Å; Y165-E289 HydrophobicContact CD2-CG 3.42Å; Y165-E289 VanDerWaalsContact CD2-CG 3.42Å; Y165-E289 WeakPolarHBondContact CD2-OE1 3.44Å; Y165-E289 HydrophobicContact CE2-CG 3.79Å; Y165-E289 PolarHBondContact N-OE1 3.44Å; I287-E289 HydrophobicContact CD1-CB 4.41Å; I287-E289 PolarHBondContact O-N 2.97Å; E289-T291 PolarHBondContact O-N 3.14Å; E289-L292 WeakPolarHBondContact O-CA 3.42Å; E289-L292 WeakPolarHBondContact O-CB 3.37Å; E289-L292 PolarHBondContact O-N 3.45Å; E289-Y293 HydrophobicContact CB-CD1 3.84Å; E289-Y293 HydrophobicContact CB-CD2 4.11Å; E289-Y293 HydrophobicContact CB-CE1 3.53Å; E289-Y293 HydrophobicContact CB-CE2 3.82Å; E289-Y293 HydrophobicContact CB-CG 4.12Å; E289-Y293 HydrophobicContact CG-CE1 4.03Å; E289-Y293 PolarHBondContact O-N 2.92Å
290	E	86.8	Confident	91	Very high	14 Å²	14	22 Å²	22	7%	0.065	12%	0.124	C	C	.	.	H	α-helix	trans	-45.5	-54.9	-171.3	178	-174.7	-116.9	0	0	113	I287 V294 N444 M477 Y481	I287-E290 HydrophobicContact CG1-CB 3.98Å; E290-V294 WeakPolarHBondContact O-CG2 3.45Å; E290-V294 PolarHBondContact O-N 3.14Å; E290-N444 PolarHBondContact OE2-ND2 3.15Å; E290-M477 HydrophobicContact CG-CE 4.19Å; E290-M477 HydrophobicContact CG-CG 4.01Å; E290-M477 HydrophobicContact CG-SD 4.2Å; E290-Y481 WeakPolarHBondContact OE1-CE2 3.1Å; E290-Y481 PolarHBondContact OE1-OH 3.13Å
291	T	85.1	Confident	89.9	Confident	60 Å²	60	27.3 Å²	27.3	37%	0.368	16%	0.159	S	C	.	.	H	α-helix	trans	-68	-40.4	179.3	-39	0	0	0	0	112.2	E289 Y293 V294 Y295 M477	E289-T291 PolarHBondContact O-N 3.14Å; T291-Y293 VanDerWaalsContact C-N 3.33Å; T291-Y293 PolarHBondContact O-N 3.39Å; T291-V294 PolarHBondContact O-N 2.89Å; T291-Y295 HydrophobicContact CG2-CD2 3.94Å; T291-Y295 HydrophobicContact CG2-CE2 3.4Å; T291-Y295 VanDerWaalsContact CG2-CE2 3.4Å; T291-Y295 WeakPolarHBondContact O-CD2 3.3Å; T291-Y295 PolarHBondContact O-N 3.2Å; T291-Y295 VanDerWaalsContact O-N 3.11Å; T291-M477 VanDerWaalsContact CA-CE 3.43Å; T291-M477 HydrophobicContact CG2-CE 3.64Å; T291-M477 WeakPolarHBondContact OG1-CE 3.43Å
292	L	87.2	Confident	88.5	Confident	51 Å²	51	30.4 Å²	30.4	27%	0.267	17%	0.172	S	C	.	.	H	α-helix	trans	-61	-42.9	179.6	174.8	63.8	0	0	0	111.4	Y165 E289 V294 Y295 E296 P303	Y165-L292 HydrophobicContact CE2-CD2 4.37Å; E289-L292 WeakPolarHBondContact O-CA 3.42Å; E289-L292 WeakPolarHBondContact O-CB 3.37Å; E289-L292 PolarHBondContact O-N 3.45Å; L292-V294 VanDerWaalsContact C-N 3.32Å; L292-V294 PolarHBondContact O-N 3.4Å; L292-Y295 WeakPolarHBondContact O-CB 3.45Å; L292-Y295 PolarHBondContact O-N 2.56Å; L292-E296 PolarHBondContact O-N 2.73Å; L292-P303 HydrophobicContact CD1-CG 3.88Å
293	Y	90.6	Very high	87	Confident	4 Å²	4	33.8 Å²	33.8	2%	0.016	19%	0.194	C	C	.	.	H	α-helix	trans	-64.1	-39	179.2	-71.9	-10.5	0	0	0	112.1	R163 R246 R248 I287 E289 T291 Y295 E296 L297	R163-Y293 WeakPolarHBondContact O-CE2 3.49Å; R163-Y293 PolarHBondContact O-OH 2.95Å; R246-Y293 WeakPolarHBondContact CD-OH 3.4Å; R246-Y293 PolarHBondContact NH1-OH 3.41Å; R248-Y293 HydrophobicContact CB-CG 4.29Å; R248-Y293 HydrophobicContact CG-CD1 3.84Å; R248-Y293 HydrophobicContact CG-CE1 4.5Å; R248-Y293 HydrophobicContact CG-CG 3.86Å; I287-Y293 HydrophobicContact CD1-CD2 3.44Å; I287-Y293 VanDerWaalsContact CD1-CD2 3.44Å; I287-Y293 HydrophobicContact CD1-CE2 3.43Å; I287-Y293 VanDerWaalsContact CD1-CE2 3.43Å; E289-Y293 HydrophobicContact CB-CD1 3.84Å; E289-Y293 HydrophobicContact CB-CD2 4.11Å; E289-Y293 HydrophobicContact CB-CE1 3.53Å; E289-Y293 HydrophobicContact CB-CE2 3.82Å; E289-Y293 HydrophobicContact CB-CG 4.12Å; E289-Y293 HydrophobicContact CG-CE1 4.03Å; E289-Y293 PolarHBondContact O-N 2.92Å; T291-Y293 VanDerWaalsContact C-N 3.33Å; T291-Y293 PolarHBondContact O-N 3.39Å; Y293-Y295 VanDerWaalsContact C-N 3.34Å; Y293-Y295 PolarHBondContact O-N 3.41Å; Y293-E296 PolarHBondContact O-N 2.91Å; Y293-L297 VanDerWaalsContact O-CG 3.31Å; Y293-L297 WeakPolarHBondContact O-CG 3.24Å; Y293-L297 PolarHBondContact O-N 3.18Å
294	V	90.3	Very high	85.3	Confident	3 Å²	3	42.9 Å²	42.9	2%	0.018	23%	0.232	C	C	.	.	H	α-helix	trans	-65.5	-39.8	177	176.1	0	0	0	0	111.4	E290 T291 L292 L297 L298 I473 L476 M477	E290-V294 WeakPolarHBondContact O-CG2 3.45Å; E290-V294 PolarHBondContact O-N 3.14Å; T291-V294 PolarHBondContact O-N 2.89Å; L292-V294 VanDerWaalsContact C-N 3.32Å; L292-V294 PolarHBondContact O-N 3.4Å; V294-L297 WeakPolarHBondContact O-CB 3.48Å; V294-L297 PolarHBondContact O-N 2.99Å; V294-L298 HydrophobicContact CG1-CD1 4.1Å; V294-L298 WeakPolarHBondContact O-CG 3.45Å; V294-L298 PolarHBondContact O-N 3.12Å; V294-I473 HydrophobicContact CB-CG2 4.47Å; V294-I473 HydrophobicContact CG1-CB 4.19Å; V294-I473 HydrophobicContact CG1-CG1 4.43Å; V294-I473 HydrophobicContact CG1-CG2 3.89Å; V294-L476 HydrophobicContact CG1-CB 3.81Å; V294-L476 HydrophobicContact CG1-CD1 4.27Å; V294-L476 HydrophobicContact CG2-CB 4.44Å; V294-M477 HydrophobicContact CG2-CB 4.38Å; V294-M477 HydrophobicContact CG2-CE 4.48Å; V294-M477 HydrophobicContact CG2-CG 3.5Å; V294-M477 VanDerWaalsContact CG2-CG 3.5Å
295	Y	89.3	Confident	83.7	Confident	37 Å²	37	45.2 Å²	45.2	15%	0.145	24%	0.243	C	C	.	.	H	α-helix	trans	-59.6	-46	171.3	-74.7	-60.2	0	0	0	112.1	T291 L292 Y293 L297 L298 G299 V300 V465 D466 L468 I473	T291-Y295 HydrophobicContact CG2-CD2 3.94Å; T291-Y295 HydrophobicContact CG2-CE2 3.4Å; T291-Y295 VanDerWaalsContact CG2-CE2 3.4Å; T291-Y295 WeakPolarHBondContact O-CD2 3.3Å; T291-Y295 PolarHBondContact O-N 3.2Å; T291-Y295 VanDerWaalsContact O-N 3.11Å; L292-Y295 WeakPolarHBondContact O-CB 3.45Å; L292-Y295 PolarHBondContact O-N 2.56Å; Y293-Y295 VanDerWaalsContact C-N 3.34Å; Y293-Y295 PolarHBondContact O-N 3.41Å; Y295-L297 VanDerWaalsContact C-N 3.31Å; Y295-L297 PolarHBondContact O-N 2.84Å; Y295-L298 PolarHBondContact O-N 2.79Å; Y295-G299 PolarHBondContact O-N 3.48Å; Y295-V300 HydrophobicContact CD1-CG2 4.11Å; Y295-V300 VanDerWaalsContact O-CB 3.29Å; Y295-V300 WeakPolarHBondContact O-CB 3.33Å; Y295-V300 WeakPolarHBondContact O-CG2 3.26Å; Y295-V300 PolarHBondContact O-N 3.11Å; Y295-V465 VanDerWaalsContact OH-CG1 3.25Å; Y295-V465 WeakPolarHBondContact OH-CG1 3.21Å; Y295-D466 HydrophobicContact CE1-CB 4.37Å; Y295-L468 HydrophobicContact CD1-CD1 3.46Å; Y295-L468 VanDerWaalsContact CD1-CD1 3.46Å; Y295-L468 HydrophobicContact CE1-CD1 3.76Å; Y295-I473 HydrophobicContact CE1-CD1 3.7Å
296	E	90.1	Very high	81.9	Confident	27 Å²	27	46.5 Å²	46.5	13%	0.126	25%	0.254	C	S	.	.	H	α-helix	trans	-59.9	-40.8	175	-71.9	-177.7	-160.3	0	0	111.5	R248 L292 Y293 L298 G299	R248-E296 HydrophobicContact CG-CB 4.39Å; R248-E296 IonicContact CZ-OE2 2.98Å; R248-E296 VanDerWaalsContact CZ-OE2 3.28Å; R248-E296 IonicContact NE-OE2 3.18Å; R248-E296 PolarHBondContact NE-OE2 3.38Å; R248-E296 IonicContact NH2-OE2 2.93Å; R248-E296 PolarHBondContact NH2-OE2 3.3Å; L292-E296 PolarHBondContact O-N 2.73Å; Y293-E296 PolarHBondContact O-N 2.91Å; E296-L298 VanDerWaalsContact C-N 3.34Å; E296-L298 PolarHBondContact O-N 3.13Å; E296-G299 PolarHBondContact O-N 2.88Å
297	L	91.5	Very high	79.9	Confident	4 Å²	4	50.9 Å²	50.9	2%	0.021	28%	0.283	C	S	.	.	H	α-helix	trans	-63.1	-38.7	176.8	-71.7	178.1	0	0	0	112.2	R248 Y293 V294 Y295 G299 S624 S625 D626	R248-L297 HydrophobicContact CB-CD1 4.28Å; R248-L297 HydrophobicContact CB-CD2 3.63Å; R248-L297 HydrophobicContact CB-CG 3.83Å; Y293-L297 VanDerWaalsContact O-CG 3.31Å; Y293-L297 WeakPolarHBondContact O-CG 3.24Å; Y293-L297 PolarHBondContact O-N 3.18Å; V294-L297 WeakPolarHBondContact O-CB 3.48Å; V294-L297 PolarHBondContact O-N 2.99Å; Y295-L297 VanDerWaalsContact C-N 3.31Å; Y295-L297 PolarHBondContact O-N 2.84Å; L297-G299 PolarHBondContact O-N 3.39Å; L297-S624 WeakPolarHBondContact CD2-OG 3.05Å; L297-S625 VanDerWaalsContact O-CB 3.26Å; L297-S625 WeakPolarHBondContact O-CB 3.48Å; L297-S625 PolarHBondContact O-N 3.18Å; L297-S625 PolarHBondContact O-OG 3.27Å; L297-D626 HydrophobicContact CD2-CB 3.99Å; L297-D626 VanDerWaalsContact CD2-CG 3.47Å
298	L	90.4	Very high	77.9	Confident	14 Å²	14	53.7 Å²	53.7	7%	0.073	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-1.4	175.6	-69.8	168.9	0	0	0	113.3	V294 Y295 E296 L468 H472 I473 L476 R605 L623	V294-L298 HydrophobicContact CG1-CD1 4.1Å; V294-L298 WeakPolarHBondContact O-CG 3.45Å; V294-L298 PolarHBondContact O-N 3.12Å; Y295-L298 PolarHBondContact O-N 2.79Å; E296-L298 VanDerWaalsContact C-N 3.34Å; E296-L298 PolarHBondContact O-N 3.13Å; L298-L468 HydrophobicContact CB-CD1 3.98Å; L298-L468 HydrophobicContact CB-CD2 4.1Å; L298-L468 HydrophobicContact CD1-CD1 3.75Å; L298-L468 HydrophobicContact CD1-CD2 4.21Å; L298-L468 HydrophobicContact CD1-CG 4.38Å; L298-H472 HydrophobicContact CD1-CB 4.44Å; L298-H472 HydrophobicContact CD2-CB 4.42Å; L298-I473 HydrophobicContact CD1-CG1 4.03Å; L298-L476 HydrophobicContact CD1-CD1 4.26Å; L298-L476 HydrophobicContact CD2-CD1 3.55Å; L298-L476 HydrophobicContact CG-CD1 3.74Å; L298-R605 WeakPolarHBondContact O-CD 3.48Å; L298-L623 HydrophobicContact CD2-CB 3.88Å; L298-L623 HydrophobicContact CD2-CD1 4.41Å
299	G	85.4	Confident	76.3	Confident	34 Å²	34	53.4 Å²	53.4	35%	0.351	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.1	10.9	175.7	0	0	0	0	0	114.6	Y295 E296 L297	Y295-G299 PolarHBondContact O-N 3.48Å; E296-G299 PolarHBondContact O-N 2.88Å; L297-G299 PolarHBondContact O-N 3.39Å
300	V	83.6	Confident	74.5	Confident	57 Å²	57	58 Å²	58	35%	0.345	33%	0.334	S	S	.	.	P	Polyproline II helix	trans	-68.2	126.2	170	-176.6	0	0	0	0	108.1	Y295 K302 L468	Y295-V300 HydrophobicContact CD1-CG2 4.11Å; Y295-V300 VanDerWaalsContact O-CB 3.29Å; Y295-V300 WeakPolarHBondContact O-CB 3.33Å; Y295-V300 WeakPolarHBondContact O-CG2 3.26Å; Y295-V300 PolarHBondContact O-N 3.11Å; V300-K302 PolarHBondContact O-N 3.24Å; V300-L468 HydrophobicContact CG2-CD1 3.59Å
301	P	74.7	Confident	72.7	Confident	112 Å²	112	63.4 Å²	63.4	73%	0.727	36%	0.363	S	S	*	.	P	Polyproline II helix	trans	-58.1	138.5	-178.9	-23.8	32.6	0	0	0	111.8
302	K	67.7	Low	71.4	Confident	68 Å²	68	68.3 Å²	68.3	30%	0.296	38%	0.379	S	S	.	.	P	Polyproline II helix	trans	-53.8	126.8	174.2	-179.3	-176.7	174.3	-173.2	0	109.5	Y165 V300 K304 E305	Y165-K302 WeakPolarHBondContact OH-CE 3.28Å; Y165-K302 PolarHBondContact OH-NZ 3.25Å; V300-K302 PolarHBondContact O-N 3.24Å; K302-K304 PolarHBondContact O-N 2.9Å; K302-E305 IonicContact NZ-OE1 3.13Å; K302-E305 PolarHBondContact NZ-OE1 3.5Å
303	P	65.1	Low	70.1	Confident	75 Å²	75	67.3 Å²	67.3	49%	0.487	38%	0.378	S	S	.	.	P	Polyproline II helix	trans	-62.7	139.5	173.5	26.1	-32.4	0	0	0	109.6	L292 E305	L292-P303 HydrophobicContact CD1-CG 3.88Å; P303-E305 PolarHBondContact O-N 3.27Å
304	K	60.4	Low	68.9	Low	198 Å²	198	77 Å²	77	86%	0.861	42%	0.415	S	S	*	.	P	Polyproline II helix	trans	-58.7	129.6	171	-69.7	-175.4	-180	179.3	0	108.2	K302 S306	K302-K304 PolarHBondContact O-N 2.9Å; K304-S306 PolarHBondContact O-N 2.95Å; K304-S306 VanDerWaalsContact O-N 3.08Å
305	E	61.3	Low	68.1	Low	59 Å²	59	85.5 Å²	85.5	28%	0.276	45%	0.446	S	S	.	.	P	Polyproline II helix	trans	-59.3	116.8	176	-68.4	178.4	-162.9	0	0	108.2	Y165 M194 K302 P303	Y165-E305 WeakPolarHBondContact CE1-OE1 3.31Å; M194-E305 HydrophobicContact SD-CB 4.2Å; K302-E305 IonicContact NZ-OE1 3.13Å; K302-E305 PolarHBondContact NZ-OE1 3.5Å; P303-E305 PolarHBondContact O-N 3.27Å
306	S	58.1	Low	67.3	Low	52 Å²	52	86.4 Å²	86.4	36%	0.364	45%	0.453	S	S	.	.			trans	-133.3	153	-171.5	74.8	0	0	0	0	111.1	K304 T308 G309	K304-S306 PolarHBondContact O-N 2.95Å; K304-S306 VanDerWaalsContact O-N 3.08Å; S306-T308 PolarHBondContact O-N 3.5Å; S306-T308 PolarHBondContact OG-N 3.2Å; S306-T308 PolarHBondContact OG-OG1 3.25Å; S306-G309 PolarHBondContact O-N 3.06Å; S306-G309 PolarHBondContact OG-N 3.47Å
307	T	50.2	Low	66.7	Low	107 Å²	107	88 Å²	88	66%	0.656	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-17.7	172.9	48.9	0	0	0	0	112.8	L310	T307-L310 WeakPolarHBondContact O-CB 3.14Å; T307-L310 PolarHBondContact O-N 3.1Å
308	T	50.7	Low	66.1	Low	92 Å²	92	92.2 Å²	92.2	56%	0.564	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-27.4	171.7	14.5	0	0	0	0	112.8	S306 L310 L311	S306-T308 PolarHBondContact O-N 3.5Å; S306-T308 PolarHBondContact OG-N 3.2Å; S306-T308 PolarHBondContact OG-OG1 3.25Å; T308-L310 PolarHBondContact O-N 3.26Å; T308-L311 HydrophobicContact CG2-CD1 4.48Å; T308-L311 PolarHBondContact O-N 2.89Å; T308-L311 VanDerWaalsContact O-N 3.15Å
309	G	55.8	Low	65.8	Low	40 Å²	40	94.4 Å²	94.4	41%	0.412	50%	0.502	S	S	.	.	H	α-helix	trans	-61.2	-32.4	171.1	0	0	0	0	0	112.9	S306 L311 K312 A313	S306-G309 PolarHBondContact O-N 3.06Å; S306-G309 PolarHBondContact OG-N 3.47Å; G309-L311 PolarHBondContact O-N 2.88Å; G309-K312 PolarHBondContact O-N 3.02Å; G309-A313 PolarHBondContact O-N 2.84Å
310	L	51.2	Low	66	Low	110 Å²	110	96.7 Å²	96.7	58%	0.576	51%	0.506	S	S	*	.	H	α-helix	trans	-63.2	-23.8	174.5	-95.9	140.1	0	0	0	113.5	M194 T307 T308 A313	M194-L310 HydrophobicContact CE-CD1 4.28Å; T307-L310 WeakPolarHBondContact O-CB 3.14Å; T307-L310 PolarHBondContact O-N 3.1Å; T308-L310 PolarHBondContact O-N 3.26Å; L310-A313 WeakPolarHBondContact O-CB 3.35Å; L310-A313 PolarHBondContact O-N 3.47Å
311	L	48.2	Very low	66.5	Low	128 Å²	128	94.2 Å²	94.2	67%	0.67	49%	0.491	S	S	*	.	H	α-helix	trans	-76.2	-30.7	175.6	-71.6	166.8	0	0	0	112.4	T308 G309 A313	T308-L311 HydrophobicContact CG2-CD1 4.48Å; T308-L311 PolarHBondContact O-N 2.89Å; T308-L311 VanDerWaalsContact O-N 3.15Å; G309-L311 PolarHBondContact O-N 2.88Å; L311-A313 PolarHBondContact O-N 2.73Å
312	K	56.7	Low	67.5	Low	163 Å²	163	89 Å²	89	71%	0.709	46%	0.458	S	S	*	.	H	α-helix	trans	-68.9	-15.7	169.9	-68.7	-173.9	178.3	-176.4	0	112.3	G309 R314 R315	G309-K312 PolarHBondContact O-N 3.02Å; K312-R314 PolarHBondContact O-N 2.8Å; K312-R314 VanDerWaalsContact O-N 3.14Å; K312-R315 PolarHBondContact O-N 3.29Å; K312-R315 VanDerWaalsContact O-N 3.13Å
313	A	61.2	Low	68.8	Low	30 Å²	30	86.6 Å²	86.6	25%	0.248	45%	0.449	C	S	.	.	H	α-helix	trans	-59	-25.8	177.2	0	0	0	0	0	113	G309 L310 L311 R315 I316 L317	G309-A313 PolarHBondContact O-N 2.84Å; L310-A313 WeakPolarHBondContact O-CB 3.35Å; L310-A313 PolarHBondContact O-N 3.47Å; L311-A313 PolarHBondContact O-N 2.73Å; A313-R315 VanDerWaalsContact C-N 3.31Å; A313-R315 PolarHBondContact O-N 2.88Å; A313-I316 PolarHBondContact O-N 3.16Å; A313-L317 WeakPolarHBondContact O-CB 3.32Å; A313-L317 WeakPolarHBondContact O-CG 2.87Å; A313-L317 PolarHBondContact O-N 2.63Å
314	R	65.8	Low	70.3	Confident	207 Å²	207	83 Å²	83	78%	0.781	43%	0.426	S	S	*	.	H	α-helix	trans	-61.2	-37.4	176.1	-77.7	-175	168.3	179.2	-3.1	113.5	K312 S318	K312-R314 PolarHBondContact O-N 2.8Å; K312-R314 VanDerWaalsContact O-N 3.14Å; R314-S318 PolarHBondContact O-N 3.36Å
315	R	71.6	Confident	72	Confident	182 Å²	182	74.3 Å²	74.3	69%	0.687	39%	0.389	S	S	*	.	H	α-helix	trans	-70.1	-43.6	175.5	179.5	178.1	169.2	165.9	1.1	110.6	K312 A313 L317 S318 E319	K312-R315 PolarHBondContact O-N 3.29Å; K312-R315 VanDerWaalsContact O-N 3.13Å; A313-R315 VanDerWaalsContact C-N 3.31Å; A313-R315 PolarHBondContact O-N 2.88Å; R315-L317 VanDerWaalsContact C-N 3.28Å; R315-L317 PolarHBondContact O-N 3.02Å; R315-S318 PolarHBondContact O-N 3.48Å; R315-S318 PolarHBondContact O-OG 3.38Å; R315-E319 IonicContact NE-OE1 2.64Å; R315-E319 PolarHBondContact NE-OE1 3.32Å; R315-E319 PolarHBondContact O-N 3.13Å
316	I	73.4	Confident	73.8	Confident	56 Å²	56	71.5 Å²	71.5	29%	0.287	38%	0.375	S	S	.	.	H	α-helix	trans	-58.2	-43	175.2	-61.7	175.1	0	0	0	110.4	L288 A313 S318 E319 F321	L288-I316 HydrophobicContact CD2-CG2 3.81Å; L288-I316 HydrophobicContact CG-CG2 4.18Å; A313-I316 PolarHBondContact O-N 3.16Å; I316-S318 PolarHBondContact O-N 3.34Å; I316-S318 VanDerWaalsContact O-N 3.1Å; I316-E319 PolarHBondContact O-N 2.96Å; I316-E319 VanDerWaalsContact O-N 3.07Å; I316-F321 HydrophobicContact CG2-CE2 3.81Å; I316-F321 HydrophobicContact CG2-CZ 3.83Å; I316-F321 WeakPolarHBondContact O-CE2 3.19Å
317	L	77.7	Confident	75.6	Confident	60 Å²	60	69.7 Å²	69.7	31%	0.314	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-12.5	177.3	-69.6	172.4	0	0	0	114.1	I129 Q132 I133 A313 R315	I129-L317 HydrophobicContact CG1-CD2 4.38Å; I129-L317 HydrophobicContact CG2-CD2 4.2Å; Q132-L317 HydrophobicContact CG-CB 4.34Å; Q132-L317 HydrophobicContact CG-CD2 4.29Å; Q132-L317 WeakPolarHBondContact CG-O 3.48Å; Q132-L317 PolarHBondContact NE2-O 3.1Å; I133-L317 HydrophobicContact CG2-CD2 3.74Å; A313-L317 WeakPolarHBondContact O-CB 3.32Å; A313-L317 WeakPolarHBondContact O-CG 2.87Å; A313-L317 PolarHBondContact O-N 2.63Å; R315-L317 VanDerWaalsContact C-N 3.28Å; R315-L317 PolarHBondContact O-N 3.02Å
318	S	78.3	Confident	77.9	Confident	93 Å²	93	64.6 Å²	64.6	65%	0.65	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.7	-4	175.1	62	0	0	0	0	113.9	R314 R315 I316	R314-S318 PolarHBondContact O-N 3.36Å; R315-S318 PolarHBondContact O-N 3.48Å; R315-S318 PolarHBondContact O-OG 3.38Å; I316-S318 PolarHBondContact O-N 3.34Å; I316-S318 VanDerWaalsContact O-N 3.1Å
319	E	84.4	Confident	80.1	Confident	59 Å²	59	60.3 Å²	60.3	28%	0.276	30%	0.303	S	S	.	.	S	Bend	trans	-96.5	150	179.2	-69	-177.8	-156.1	0	0	110.9	R315 I316 F321	R315-E319 IonicContact NE-OE1 2.64Å; R315-E319 PolarHBondContact NE-OE1 3.32Å; R315-E319 PolarHBondContact O-N 3.13Å; I316-E319 PolarHBondContact O-N 2.96Å; I316-E319 VanDerWaalsContact O-N 3.07Å; E319-F321 HydrophobicContact CB-CD2 4.4Å; E319-F321 HydrophobicContact CB-CE2 3.67Å; E319-F321 HydrophobicContact CB-CZ 4.01Å
320	N	90.1	Very high	82	Confident	82 Å²	82	62.4 Å²	62.4	44%	0.439	31%	0.305	S	S	.	.			trans	-94.9	125.7	171.7	-175.7	4.8	0	0	0	109.2	S135 G322 L441	S135-N320 PolarHBondContact OG-ND2 3.28Å; S135-N320 PolarHBondContact OG-OD1 3.5Å; S135-N320 VanDerWaalsContact OG-OD1 3.05Å; N320-G322 PolarHBondContact OD1-N 3.32Å; N320-L441 HydrophobicContact CB-CD1 4.3Å; N320-L441 WeakPolarHBondContact O-CD1 3.35Å
321	F	93.8	Very high	84.2	Confident	5 Å²	5	58.7 Å²	58.7	2%	0.022	29%	0.288	C	S	.	.			trans	-104.7	8.6	179.1	-69.1	-90.8	0	0	0	113.3	I133 F134 K286 L288 I316 E319	I133-F321 HydrophobicContact CB-CD2 3.91Å; I133-F321 HydrophobicContact CB-CE2 4.41Å; I133-F321 PolarHBondContact O-N 3.05Å; F134-F321 HydrophobicContact CD1-CB 3.69Å; F134-F321 HydrophobicContact CE1-CB 3.44Å; F134-F321 VanDerWaalsContact CE1-CB 3.44Å; F134-F321 HydrophobicContact CE1-CG 4.34Å; F134-F321 HydrophobicContact CZ-CB 4.4Å; K286-F321 HydrophobicContact CB-CB 4.45Å; K286-F321 HydrophobicContact CB-CD1 4.21Å; K286-F321 HydrophobicContact CD-CD1 4.17Å; K286-F321 HydrophobicContact CG-CD1 3.93Å; K286-F321 HydrophobicContact CG-CE1 4.45Å; K286-F321 PolarHBondContact N-O 2.96Å; L288-F321 HydrophobicContact CB-CE1 4.37Å; L288-F321 HydrophobicContact CD1-CD1 4.38Å; L288-F321 HydrophobicContact CG-CD1 4.36Å; L288-F321 HydrophobicContact CG-CE1 4.1Å; L288-F321 HydrophobicContact CG-CZ 4.22Å; I316-F321 HydrophobicContact CG2-CE2 3.81Å; I316-F321 HydrophobicContact CG2-CZ 3.83Å; I316-F321 WeakPolarHBondContact O-CE2 3.19Å; E319-F321 HydrophobicContact CB-CD2 4.4Å; E319-F321 HydrophobicContact CB-CE2 3.67Å; E319-F321 HydrophobicContact CB-CZ 4.01Å
322	G	94.9	Very high	86.6	Confident	4 Å²	4	53.7 Å²	53.7	4%	0.041	26%	0.262	C	S	.	.			trans	72	-139.9	179.8	0	0	0	0	0	111.4	F134 S135 N320	F134-G322 CarbonylContact C-O 3.51Å; F134-G322 WeakPolarHBondContact CA-O 3.35Å; S135-G322 PolarHBondContact N-O 2.85Å; N320-G322 PolarHBondContact OD1-N 3.32Å
323	S	95.4	Very high	88.6	Confident	17 Å²	17	46.6 Å²	46.6	12%	0.119	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	153.3	-174.9	-50.3	0	0	0	0	112.2	K136 D285	K136-S323 WeakPolarHBondContact O-CA 3.47Å; D285-S323 PolarHBondContact N-O 3.34Å; D285-S323 WeakPolarHBondContact OD2-CB 3.43Å; D285-S323 PolarHBondContact OD2-N 3.3Å
324	I	96.7	Very high	90.2	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	136.1	167.6	-54.5	165.3	0	0	0	107.7	F134 K136 V137 C138 I166 M170 I282 S283 Y284 V326	F134-I324 HydrophobicContact CD1-CD1 3.79Å; F134-I324 HydrophobicContact CD1-CG1 3.78Å; F134-I324 HydrophobicContact CD2-CD1 3.51Å; F134-I324 HydrophobicContact CD2-CG1 4.38Å; F134-I324 HydrophobicContact CE1-CD1 3.64Å; F134-I324 HydrophobicContact CE1-CG1 3.74Å; F134-I324 HydrophobicContact CE2-CD1 3.36Å; F134-I324 HydrophobicContact CE2-CG1 4.36Å; F134-I324 HydrophobicContact CG-CD1 3.74Å; F134-I324 HydrophobicContact CG-CG1 4.12Å; F134-I324 HydrophobicContact CZ-CD1 3.44Å; F134-I324 VanDerWaalsContact CZ-CD1 3.44Å; F134-I324 HydrophobicContact CZ-CG1 4.06Å; K136-I324 PolarHBondContact O-N 3.11Å; V137-I324 HydrophobicContact CG2-CB 4.39Å; V137-I324 HydrophobicContact CG2-CD1 4Å; C138-I324 PolarHBondContact N-O 2.86Å; I166-I324 HydrophobicContact CD1-CD1 4.16Å; M170-I324 HydrophobicContact CE-CD1 3.5Å; I282-I324 HydrophobicContact CG2-CG2 4.06Å; S283-I324 CarbonylContact O-C 3.52Å; S283-I324 WeakPolarHBondContact O-CA 3.48Å; Y284-I324 HydrophobicContact CD1-CD1 4.29Å; Y284-I324 HydrophobicContact CD1-CG1 3.7Å; Y284-I324 HydrophobicContact CD1-CG2 4.29Å; Y284-I324 HydrophobicContact CE1-CB 4.44Å; Y284-I324 HydrophobicContact CE1-CD1 3.78Å; Y284-I324 HydrophobicContact CE1-CG1 3.65Å; Y284-I324 HydrophobicContact CE1-CG2 3.96Å; I324-V326 HydrophobicContact CG2-CG2 3.92Å
325	H	96.8	Very high	91.6	Very high	15 Å²	15	40.7 Å²	40.7	7%	0.069	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	122.3	172.1	-59	88.9	0	0	0	109.2	F35 C138 S283 V382 I424	F35-H325 HydrophobicContact CE1-CB 4.35Å; C138-H325 WeakPolarHBondContact CB-CD2 3.41Å; C138-H325 WeakPolarHBondContact O-CA 3.32Å; S283-H325 PolarHBondContact N-O 2.84Å; S283-H325 PolarHBondContact O-N 2.83Å; H325-V382 HydrophobicContact CB-CB 3.81Å; H325-V382 HydrophobicContact CB-CG1 3.83Å; H325-V382 HydrophobicContact CB-CG2 3.9Å; H325-I424 WeakPolarHBondContact CD2-CD1 3.39Å; H325-I424 VanDerWaalsContact NE2-CD1 3.29Å; H325-I424 WeakPolarHBondContact NE2-CD1 3.36Å
326	V	97.9	Very high	92.7	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	111.9	178	-173.6	0	0	0	0	108.8	C138 V139 N140 M170 L171 I174 I280 S281 I282 I324 F328	C138-V326 PolarHBondContact O-N 2.78Å; V139-V326 WeakPolarHBondContact CA-O 3.25Å; V139-V326 HydrophobicContact CG2-CB 4.42Å; N140-V326 PolarHBondContact N-O 3.1Å; N140-V326 PolarHBondContact OD1-O 3.44Å; M170-V326 HydrophobicContact CG-CG2 4.19Å; L171-V326 HydrophobicContact CD2-CG1 4.14Å; I174-V326 HydrophobicContact CD1-CB 3.9Å; I174-V326 HydrophobicContact CD1-CG1 3.88Å; I174-V326 HydrophobicContact CD1-CG2 3.65Å; I280-V326 HydrophobicContact CG2-CG1 3.82Å; S281-V326 WeakPolarHBondContact O-CA 3.33Å; I282-V326 HydrophobicContact CG1-CG1 4.38Å; I282-V326 HydrophobicContact CG2-CG2 4.27Å; I324-V326 HydrophobicContact CG2-CG2 3.92Å; V326-F328 HydrophobicContact CG1-CD2 4.15Å; V326-F328 HydrophobicContact CG1-CE2 3.63Å; V326-F328 HydrophobicContact CG1-CZ 4.23Å
327	Y	97.6	Very high	93.7	Very high	13 Å²	13	33.8 Å²	33.8	5%	0.051	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	110.8	178.8	-165.6	-79.5	0	0	0	110.5	D33 F35 N140 I280 S281 G329 N380 F422	D33-Y327 HydrophobicContact CB-CE2 4.25Å; D33-Y327 PolarHBondContact OD1-OH 3Å; D33-Y327 WeakPolarHBondContact OD2-CE2 3.46Å; D33-Y327 PolarHBondContact OD2-OH 3.29Å; F35-Y327 HydrophobicContact CE2-CD2 4.49Å; F35-Y327 AromaticContact CZ-CD2 3.85Å; F35-Y327 HydrophobicContact CZ-CD2 3.85Å; N140-Y327 HydrophobicContact CB-CD2 3.91Å; N140-Y327 HydrophobicContact CB-CE2 4.03Å; N140-Y327 WeakPolarHBondContact OD1-CA 3.25Å; I280-Y327 WeakPolarHBondContact CA-O 3.31Å; S281-Y327 PolarHBondContact N-O 3.31Å; S281-Y327 PolarHBondContact O-N 3.49Å; Y327-G329 PolarHBondContact O-N 3.28Å; Y327-N380 WeakPolarHBondContact CB-O 2.99Å; Y327-N380 HydrophobicContact CD1-CB 3.41Å; Y327-N380 VanDerWaalsContact CD1-CB 3.41Å; Y327-N380 HydrophobicContact CE1-CB 3.83Å; Y327-N380 VanDerWaalsContact CE1-CG 3.41Å; Y327-N380 HydrophobicContact CG-CB 4.04Å; Y327-F422 AromaticContact CD2-CE1 3.99Å; Y327-F422 HydrophobicContact CD2-CE1 3.99Å; Y327-F422 HydrophobicContact CE2-CE1 4.13Å
328	F	97.8	Very high	94.4	Very high	1 Å²	1	31.2 Å²	31.2	0%	0.004	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	109.8	169.2	-70.1	-96.7	0	0	0	109.2	V139 N140 G143 I144 L147 L171 I174 L175 I280 V326	V139-F328 HydrophobicContact CG1-CD2 3.84Å; V139-F328 HydrophobicContact CG1-CE2 3.69Å; N140-F328 PolarHBondContact ND2-O 3.3Å; N140-F328 PolarHBondContact OD1-N 3.5Å; G143-F328 WeakPolarHBondContact CA-O 3.11Å; I144-F328 HydrophobicContact CD1-CD1 4.46Å; I144-F328 HydrophobicContact CD1-CD2 3.7Å; I144-F328 HydrophobicContact CD1-CE1 4.32Å; I144-F328 HydrophobicContact CD1-CE2 3.54Å; I144-F328 HydrophobicContact CD1-CG 4.17Å; I144-F328 HydrophobicContact CD1-CZ 3.86Å; I144-F328 HydrophobicContact CG1-CD2 4.31Å; I144-F328 HydrophobicContact CG1-CE2 4.49Å; L147-F328 HydrophobicContact CD2-CD1 3.83Å; L147-F328 HydrophobicContact CD2-CE1 3.73Å; L171-F328 HydrophobicContact CD2-CE1 4.41Å; L171-F328 HydrophobicContact CD2-CZ 3.98Å; I174-F328 HydrophobicContact CG2-CE2 3.93Å; I174-F328 HydrophobicContact CG2-CZ 3.94Å; L175-F328 HydrophobicContact CD1-CE1 3.96Å; L175-F328 HydrophobicContact CD1-CZ 3.85Å; I280-F328 HydrophobicContact CD1-CD1 3.76Å; I280-F328 HydrophobicContact CD1-CE1 3.66Å; I280-F328 HydrophobicContact CG1-CD1 3.77Å; I280-F328 HydrophobicContact CG1-CE1 4.13Å; I280-F328 HydrophobicContact CG1-CG 4.41Å; V326-F328 HydrophobicContact CG1-CD2 4.15Å; V326-F328 HydrophobicContact CG1-CE2 3.63Å; V326-F328 HydrophobicContact CG1-CZ 4.23Å
329	G	96.5	Very high	95	Very high	1 Å²	1	29.9 Å²	29.9	1%	0.01	17%	0.17	C	C	.	.	P	Polyproline II helix	trans	-74.6	170.6	175.9	0	0	0	0	0	113.2	P279 Y327 N380	P279-G329 WeakPolarHBondContact O-CA 3.42Å; P279-G329 PolarHBondContact O-N 2.88Å; Y327-G329 PolarHBondContact O-N 3.28Å; G329-N380 WeakPolarHBondContact CA-ND2 3.35Å
330	D	96.3	Very high	95	Very high	84 Å²	84	31.4 Å²	31.4	45%	0.449	20%	0.202	S	C	.	.	P	Polyproline II helix	trans	-59.4	129.1	178.5	-68.3	-37.4	0	0	0	111.7	K146 V332	K146-D330 WeakPolarHBondContact CD-OD1 3.49Å; K146-D330 VanDerWaalsContact CE-OD1 3.25Å; K146-D330 WeakPolarHBondContact CE-OD1 3.15Å; K146-D330 IonicContact NZ-OD1 3.35Å; K146-D330 PolarHBondContact NZ-OD1 2.9Å; D330-V332 WeakPolarHBondContact O-CG2 3.46Å; D330-V332 PolarHBondContact O-N 3.33Å
331	P	97.8	Very high	94.6	Very high	33 Å²	33	34.5 Å²	34.5	21%	0.214	21%	0.207	C	C	.	.	P	Polyproline II helix	trans	-58.4	123.6	172.4	-25	34.2	0	0	0	111.7	K146 A150 Y276 V278	K146-P331 HydrophobicContact CB-CG 4.27Å; A150-P331 HydrophobicContact CB-CB 3.89Å; A150-P331 HydrophobicContact CB-CG 3.81Å; Y276-P331 HydrophobicContact CD1-CB 4.19Å; Y276-P331 HydrophobicContact CG-CB 4.22Å; V278-P331 HydrophobicContact CG2-CB 4.02Å; V278-P331 HydrophobicContact CG2-CG 4.13Å
332	V	98.1	Very high	93.8	Very high	22 Å²	22	36.2 Å²	36.2	13%	0.133	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	115.1	-176.7	-172.4	0	0	0	0	110.5	L277 D330 L334 L337 M373 L376	L277-V332 PolarHBondContact N-O 3.46Å; L277-V332 PolarHBondContact O-N 3.27Å; D330-V332 WeakPolarHBondContact O-CG2 3.46Å; D330-V332 PolarHBondContact O-N 3.33Å; V332-L334 PolarHBondContact O-N 3.4Å; V332-L337 HydrophobicContact CG1-CD1 3.52Å; V332-L337 HydrophobicContact CG1-CD2 3.93Å; V332-L337 HydrophobicContact CG1-CG 3.7Å; V332-M373 HydrophobicContact CB-CE 4.06Å; V332-M373 HydrophobicContact CB-SD 4.4Å; V332-M373 HydrophobicContact CG1-CE 4.07Å; V332-M373 HydrophobicContact CG2-CE 3.93Å; V332-M373 HydrophobicContact CG2-SD 4.31Å; V332-L376 HydrophobicContact CG2-CD1 3.95Å
333	S	97.7	Very high	93	Very high	14 Å²	14	40 Å²	40	10%	0.098	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	119.5	176.9	160.5	0	0	0	0	111.4	D274 R335 S336 L337	D274-S333 PolarHBondContact OD1-OG 2.95Å; D274-S333 WeakPolarHBondContact OD2-CB 3.44Å; D274-S333 PolarHBondContact OD2-OG 3.48Å; S333-R335 PolarHBondContact O-N 2.93Å; S333-R335 PolarHBondContact OG-N 2.85Å; S333-S336 WeakPolarHBondContact CB-OG 3.12Å; S333-S336 PolarHBondContact O-N 3.48Å; S333-S336 WeakPolarHBondContact OG-CB 3.43Å; S333-S336 PolarHBondContact OG-N 3.26Å; S333-S336 PolarHBondContact OG-OG 2.87Å; S333-L337 WeakPolarHBondContact O-CG 3.5Å; S333-L337 PolarHBondContact O-N 3.31Å
334	L	95.9	Very high	92.4	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-59.1	-38.3	171.2	-77.2	-171.1	0	0	0	111.5	M264 F267 D274 T275 L277 V332 S336 L337 A338 V369	M264-L334 HydrophobicContact CB-CD1 4.09Å; M264-L334 HydrophobicContact CE-CD2 3.64Å; M264-L334 HydrophobicContact CG-CD1 3.72Å; M264-L334 HydrophobicContact CG-CD2 4.18Å; M264-L334 HydrophobicContact SD-CD2 4.41Å; F267-L334 HydrophobicContact CB-CD1 4.09Å; F267-L334 HydrophobicContact CD1-CB 4.01Å; F267-L334 HydrophobicContact CD1-CD1 4.21Å; F267-L334 HydrophobicContact CD2-CB 4.44Å; F267-L334 HydrophobicContact CE1-CB 4.24Å; F267-L334 HydrophobicContact CG-CB 4.14Å; F267-L334 HydrophobicContact CG-CD1 4.24Å; D274-L334 PolarHBondContact OD1-N 3.13Å; T275-L334 HydrophobicContact CG2-CD1 4.39Å; T275-L334 WeakPolarHBondContact O-CG 3.39Å; T275-L334 PolarHBondContact O-N 3.19Å; L277-L334 HydrophobicContact CD1-CD2 3.62Å; L277-L334 HydrophobicContact CD1-CG 4.44Å; L277-L334 HydrophobicContact CG-CD2 3.92Å; L277-L334 HydrophobicContact CG-CG 4.21Å; V332-L334 PolarHBondContact O-N 3.4Å; L334-S336 VanDerWaalsContact C-N 3.32Å; L334-S336 PolarHBondContact O-N 3.12Å; L334-L337 HydrophobicContact CD2-CD1 4.48Å; L334-L337 PolarHBondContact O-N 2.74Å; L334-A338 WeakPolarHBondContact O-CB 3.28Å; L334-A338 PolarHBondContact O-N 3.43Å; L334-V369 HydrophobicContact CD2-CG1 4.42Å
335	R	94.9	Very high	91.4	Very high	113 Å²	113	44.8 Å²	44.8	43%	0.426	27%	0.266	S	S	.	.	H	α-helix	trans	-59.9	-43.1	176.7	-173.6	-176.7	176.2	-74.7	-1.9	112.1	F267 D274 S333 A338 A339	F267-R335 HydrophobicContact CE2-CB 3.75Å; F267-R335 HydrophobicContact CE2-CG 4.23Å; F267-R335 HydrophobicContact CZ-CB 4.17Å; D274-R335 HydrophobicContact CB-CB 4.19Å; D274-R335 WeakPolarHBondContact OD1-CB 3.35Å; D274-R335 PolarHBondContact OD1-N 3.31Å; D274-R335 WeakPolarHBondContact OD2-CB 3.44Å; S333-R335 PolarHBondContact O-N 2.93Å; S333-R335 PolarHBondContact OG-N 2.85Å; R335-A338 PolarHBondContact O-N 2.96Å; R335-A339 PolarHBondContact O-N 3.14Å; R335-A339 VanDerWaalsContact O-N 3.08Å
336	S	95.1	Very high	90.3	Very high	79 Å²	79	46.5 Å²	46.5	55%	0.552	28%	0.28	S	S	*	.	H	α-helix	trans	-70.3	-40	179.5	-57.7	0	0	0	0	111.3	S333 L334 A338 A339	S333-S336 WeakPolarHBondContact CB-OG 3.12Å; S333-S336 PolarHBondContact O-N 3.48Å; S333-S336 WeakPolarHBondContact OG-CB 3.43Å; S333-S336 PolarHBondContact OG-N 3.26Å; S333-S336 PolarHBondContact OG-OG 2.87Å; L334-S336 VanDerWaalsContact C-N 3.32Å; L334-S336 PolarHBondContact O-N 3.12Å; S336-A338 VanDerWaalsContact C-N 3.32Å; S336-A338 PolarHBondContact O-N 3.3Å; S336-A339 WeakPolarHBondContact O-CB 3.34Å; S336-A339 PolarHBondContact O-N 3.27Å
337	L	94.1	Very high	89.1	Confident	15 Å²	15	47 Å²	47	8%	0.079	28%	0.282	C	S	.	.	H	α-helix	trans	-63.3	-38	172.9	-69	178.7	0	0	0	112.4	V332 S333 L334 A339 R341 F365 V369 K372	V332-L337 HydrophobicContact CG1-CD1 3.52Å; V332-L337 HydrophobicContact CG1-CD2 3.93Å; V332-L337 HydrophobicContact CG1-CG 3.7Å; S333-L337 WeakPolarHBondContact O-CG 3.5Å; S333-L337 PolarHBondContact O-N 3.31Å; L334-L337 HydrophobicContact CD2-CD1 4.48Å; L334-L337 PolarHBondContact O-N 2.74Å; L337-A339 VanDerWaalsContact C-N 3.34Å; L337-R341 WeakPolarHBondContact O-CD 3.35Å; L337-F365 HydrophobicContact CB-CE2 4.2Å; L337-F365 HydrophobicContact CB-CZ 3.82Å; L337-V369 HydrophobicContact CD1-CG1 4.21Å; L337-V369 HydrophobicContact CD1-CG2 3.9Å; L337-K372 HydrophobicContact CD2-CD 4.16Å
338	A	92.4	Very high	88	Confident	6 Å²	6	50.3 Å²	50.3	5%	0.05	30%	0.301	C	S	.	.	H	α-helix	trans	-76.8	-18.7	-178.7	0	0	0	0	0	114.1	F267 L334 R335 S336 G340 R341 M342 F365	F267-A338 HydrophobicContact CE1-CB 3.74Å; F267-A338 HydrophobicContact CZ-CB 3.76Å; L334-A338 WeakPolarHBondContact O-CB 3.28Å; L334-A338 PolarHBondContact O-N 3.43Å; R335-A338 PolarHBondContact O-N 2.96Å; S336-A338 VanDerWaalsContact C-N 3.32Å; S336-A338 PolarHBondContact O-N 3.3Å; A338-G340 PolarHBondContact O-N 3.39Å; A338-R341 PolarHBondContact O-N 2.82Å; A338-M342 HydrophobicContact CB-CE 3.37Å; A338-M342 HydrophobicContact CB-CG 3.79Å; A338-M342 HydrophobicContact CB-SD 3.6Å; A338-M342 PolarHBondContact O-N 3.4Å; A338-F365 HydrophobicContact CB-CZ 4.22Å
339	A	90.6	Very high	87.3	Confident	64 Å²	64	57.2 Å²	57.2	53%	0.529	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	120.5	-172.4	0	0	0	0	0	111.6	R335 S336 L337 R341	R335-A339 PolarHBondContact O-N 3.14Å; R335-A339 VanDerWaalsContact O-N 3.08Å; S336-A339 WeakPolarHBondContact O-CB 3.34Å; S336-A339 PolarHBondContact O-N 3.27Å; L337-A339 VanDerWaalsContact C-N 3.34Å; A339-R341 PolarHBondContact O-N 3.11Å
340	G	83.9	Confident	86.7	Confident	92 Å²	92	59.6 Å²	59.6	95%	0.948	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.5	1.5	-179.4	0	0	0	0	0	115.3	A338	A338-G340 PolarHBondContact O-N 3.39Å
341	R	82.3	Confident	86.2	Confident	147 Å²	147	58.5 Å²	58.5	56%	0.555	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.7	-24.2	-176.6	-59.5	-169.4	-174.4	-168.4	-3.4	114.3	L337 A338 A339 E368	L337-R341 WeakPolarHBondContact O-CD 3.35Å; A338-R341 PolarHBondContact O-N 2.82Å; A339-R341 PolarHBondContact O-N 3.11Å; R341-E368 IonicContact CZ-OE1 2.67Å; R341-E368 IonicContact NH1-OE1 3.96Å; R341-E368 PolarHBondContact NH1-OE1 3.13Å; R341-E368 IonicContact NH1-OE2 2.77Å
342	M	77.8	Confident	85.6	Confident	40 Å²	40	62.2 Å²	62.2	20%	0.197	36%	0.359	C	S	.	.			trans	-137.5	145.5	178.7	71.4	175.2	71.3	0	0	111.7	F267 F268 A338 R344 F365	F267-M342 HydrophobicContact CE1-SD 4.23Å; F268-M342 HydrophobicContact CD1-SD 3.93Å; F268-M342 HydrophobicContact CE1-CE 3.88Å; F268-M342 HydrophobicContact CE1-SD 3.85Å; A338-M342 HydrophobicContact CB-CE 3.37Å; A338-M342 HydrophobicContact CB-CG 3.79Å; A338-M342 HydrophobicContact CB-SD 3.6Å; A338-M342 PolarHBondContact O-N 3.4Å; M342-R344 HydrophobicContact CG-CG 4.39Å; M342-R344 HydrophobicContact SD-CG 4.13Å; M342-F365 HydrophobicContact CE-CB 4.31Å; M342-F365 HydrophobicContact CE-CD1 3.17Å; M342-F365 HydrophobicContact CE-CD2 3.54Å; M342-F365 HydrophobicContact CE-CE1 3.12Å; M342-F365 HydrophobicContact CE-CE2 3.49Å; M342-F365 VanDerWaalsContact CE-CE2 3.49Å; M342-F365 HydrophobicContact CE-CG 3.38Å; M342-F365 HydrophobicContact CE-CZ 3.27Å
343	S	78	Confident	85.1	Confident	85 Å²	85	65.2 Å²	65.2	59%	0.594	37%	0.368	S	S	*	.			trans	-95.8	120.9	165.4	-174.1	0	0	0	0	110.7	S345	S343-S345 VanDerWaalsContact C-N 3.27Å; S343-S345 PolarHBondContact O-N 2.94Å; S343-S345 PolarHBondContact OG-N 2.85Å; S343-S345 PolarHBondContact OG-OG 2.92Å
344	R	81.4	Confident	84.5	Confident	56 Å²	56	66.4 Å²	66.4	21%	0.211	37%	0.373	C	S	.	.			trans	-87.2	10.8	172.1	-61.1	-174.8	-67.8	166.1	-3.6	112.9	F267 M342	F267-R344 PolarHBondContact O-NH1 3.05Å; M342-R344 HydrophobicContact CG-CG 4.39Å; M342-R344 HydrophobicContact SD-CG 4.13Å
345	S	76.8	Confident	83.9	Confident	60 Å²	60	69.1 Å²	69.1	42%	0.42	39%	0.391	S	S	.	.			trans	-74.8	-28	-176.3	61.6	0	0	0	0	113.2	S343 Y347 N348	S343-S345 VanDerWaalsContact C-N 3.27Å; S343-S345 PolarHBondContact O-N 2.94Å; S343-S345 PolarHBondContact OG-N 2.85Å; S343-S345 PolarHBondContact OG-OG 2.92Å; S345-Y347 PolarHBondContact O-N 3.02Å; S345-N348 WeakPolarHBondContact O-CB 3.44Å; S345-N348 PolarHBondContact O-N 2.88Å
346	S	72.9	Confident	83.2	Confident	52 Å²	52	66.6 Å²	66.6	36%	0.364	38%	0.383	S	S	.	.	G	3₁₀ helix	trans	-55.4	-38.1	177.3	48.8	0	0	0	0	112.5	N348 L349	S346-N348 PolarHBondContact O-N 2.97Å; S346-L349 WeakPolarHBondContact O-CB 3.33Å; S346-L349 PolarHBondContact O-N 3.05Å; S346-L349 VanDerWaalsContact O-N 3.07Å
347	Y	72.6	Confident	82.4	Confident	9 Å²	9	72.1 Å²	72.1	4%	0.035	40%	0.398	C	S	.	.	G	3₁₀ helix	trans	-69.1	-13	176.5	-73.5	-75.4	0	0	0	114.8	F268 K269 S345 L349 M362	F268-Y347 HydrophobicContact CB-CD2 4.4Å; F268-Y347 HydrophobicContact CB-CE2 3.93Å; K269-Y347 HydrophobicContact CG-CD1 3.75Å; K269-Y347 HydrophobicContact CG-CE1 4.01Å; K269-Y347 HydrophobicContact CG-CG 4.37Å; S345-Y347 PolarHBondContact O-N 3.02Å; Y347-L349 VanDerWaalsContact C-N 3.32Å; Y347-M362 HydrophobicContact CE2-CE 3.58Å; Y347-M362 HydrophobicContact CE2-SD 3.46Å; Y347-M362 WeakPolarHBondContact CE2-SD 3.35Å; Y347-M362 WeakPolarHBondContact OH-CE 3.46Å; Y347-M362 PolarHBondContact OH-SD 2.86Å
348	N	74.6	Confident	81.5	Confident	84 Å²	84	72.7 Å²	72.7	45%	0.449	40%	0.4	S	S	.	.	G	3₁₀ helix	trans	-85	-10.1	172.7	-61.6	-31.2	0	0	0	112.3	R270 S345 S346	R270-N348 PolarHBondContact NH1-ND2 2.79Å; S345-N348 WeakPolarHBondContact O-CB 3.44Å; S345-N348 PolarHBondContact O-N 2.88Å; S346-N348 PolarHBondContact O-N 2.97Å
349	L	82.7	Confident	81.1	Confident	146 Å²	146	75 Å²	75	76%	0.764	42%	0.415	S	S	*	.	S	Bend	trans	-86.6	-13.1	-176.1	-57	179.1	0	0	0	113.1	S346 Y347	S346-L349 WeakPolarHBondContact O-CB 3.33Å; S346-L349 PolarHBondContact O-N 3.05Å; S346-L349 VanDerWaalsContact O-N 3.07Å; Y347-L349 VanDerWaalsContact C-N 3.32Å
350	V	83.9	Confident	80.9	Confident	50 Å²	50	80 Å²	80	30%	0.303	43%	0.428	S	S	.	.	S	Bend	trans	-136.8	143.5	-177.3	-178.3	0	0	0	0	108.8	R352 I354	V350-R352 PolarHBondContact O-N 3.41Å; V350-I354 HydrophobicContact CG1-CB 4.16Å; V350-I354 HydrophobicContact CG1-CD1 4.06Å; V350-I354 HydrophobicContact CG1-CG2 4.48Å
351	P	87.1	Confident	81	Confident	62 Å²	62	81.9 Å²	81.9	40%	0.403	42%	0.416	S	S	.	.			trans	-53.8	131.7	174.3	-25.5	33.2	0	0	0	112.3	Y353 I354	P351-Y353 HydrophobicContact CB-CD1 3.75Å; P351-Y353 HydrophobicContact CB-CE1 3.29Å; P351-Y353 HydrophobicContact CB-CE2 4.41Å; P351-Y353 HydrophobicContact CB-CG 4.48Å; P351-Y353 HydrophobicContact CG-CE1 4.23Å; P351-Y353 PolarHBondContact O-N 2.85Å; P351-Y353 VanDerWaalsContact O-N 3.16Å; P351-I354 HydrophobicContact CB-CD1 4.23Å; P351-I354 HydrophobicContact CB-CG1 4.33Å; P351-I354 HydrophobicContact CG-CD1 4.18Å; P351-I354 PolarHBondContact O-N 2.78Å
352	R	85.6	Confident	81.1	Confident	111 Å²	111	75.5 Å²	75.5	42%	0.419	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-28.1	-170.5	-64.3	-178.8	-170.4	171.9	0.3	114.2	K269 V350 I354	K269-R352 PolarHBondContact NZ-O 3Å; K269-R352 PolarHBondContact O-NE 3.49Å; V350-R352 PolarHBondContact O-N 3.41Å; R352-I354 PolarHBondContact O-N 2.86Å
353	Y	85.9	Confident	81.7	Confident	85 Å²	85	77.1 Å²	77.1	33%	0.333	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-11.9	179	66.7	-103.5	0	0	0	113.3	E79 E80 Y83 P351 P355	E79-Y353 VanDerWaalsContact CB-CB 3.45Å; E79-Y353 HydrophobicContact CB-CD1 4.18Å; E79-Y353 HydrophobicContact CB-CD2 4.49Å; E79-Y353 HydrophobicContact CB-CG 3.83Å; E79-Y353 WeakPolarHBondContact OE2-CD1 3.38Å; E80-Y353 VanDerWaalsContact CA-O 3.27Å; E80-Y353 WeakPolarHBondContact CA-O 3.46Å; E80-Y353 WeakPolarHBondContact CB-O 3.2Å; E80-Y353 WeakPolarHBondContact CG-O 3.08Å; Y83-Y353 HydrophobicContact CD2-CD2 4.28Å; Y83-Y353 AromaticContact CD2-CE2 3.97Å; Y83-Y353 HydrophobicContact CD2-CE2 3.97Å; Y83-Y353 HydrophobicContact CG-CD2 4.3Å; Y83-Y353 HydrophobicContact CG-CE2 4.45Å; P351-Y353 HydrophobicContact CB-CD1 3.75Å; P351-Y353 HydrophobicContact CB-CE1 3.29Å; P351-Y353 HydrophobicContact CB-CE2 4.41Å; P351-Y353 HydrophobicContact CB-CG 4.48Å; P351-Y353 HydrophobicContact CG-CE1 4.23Å; P351-Y353 PolarHBondContact O-N 2.85Å; P351-Y353 VanDerWaalsContact O-N 3.16Å; Y353-P355 WeakPolarHBondContact O-CD 3.47Å
354	I	86.9	Confident	82.2	Confident	38 Å²	38	75.9 Å²	75.9	20%	0.195	40%	0.395	C	S	.	.	S	Bend	trans	-83.4	119.8	176.4	-59.8	-179.7	0	0	0	107.8	Y83 V350 P351 R352 Q356	Y83-I354 HydrophobicContact CD2-CG1 4.28Å; Y83-I354 HydrophobicContact CE1-CG2 4.17Å; Y83-I354 HydrophobicContact CE2-CD1 4.4Å; Y83-I354 HydrophobicContact CE2-CG1 4.09Å; V350-I354 HydrophobicContact CG1-CB 4.16Å; V350-I354 HydrophobicContact CG1-CD1 4.06Å; V350-I354 HydrophobicContact CG1-CG2 4.48Å; P351-I354 HydrophobicContact CB-CD1 4.23Å; P351-I354 HydrophobicContact CB-CG1 4.33Å; P351-I354 HydrophobicContact CG-CD1 4.18Å; P351-I354 PolarHBondContact O-N 2.78Å; R352-I354 PolarHBondContact O-N 2.86Å; I354-Q356 PolarHBondContact O-N 3.03Å
355	P	83.1	Confident	82.7	Confident	58 Å²	58	73.8 Å²	73.8	38%	0.377	39%	0.387	S	S	.	.			trans	-59.5	129.2	174.6	-22.9	34	0	0	0	110.5	E80 Y83 V84 Y353	E80-P355 HydrophobicContact CG-CG 4.04Å; Y83-P355 HydrophobicContact CD1-CG 4.48Å; V84-P355 HydrophobicContact CG2-CG 3.79Å; Y353-P355 WeakPolarHBondContact O-CD 3.47Å
356	Q	78.9	Confident	83.6	Confident	59 Å²	59	71 Å²	71	28%	0.276	37%	0.367	S	S	.	.			trans	-115.4	142.8	179.3	-66.2	-166.8	-31.1	0	0	110.8	I354 Q358	I354-Q356 PolarHBondContact O-N 3.03Å; Q356-Q358 PolarHBondContact O-N 3.25Å
357	K	78.1	Confident	84.5	Confident	195 Å²	195	70.1 Å²	70.1	85%	0.848	36%	0.36	S	S	*	.	P	Polyproline II helix	trans	-67.7	129.4	163.8	-168.8	-178.9	178.4	-172.7	0	107.9
358	Q	76.1	Confident	85.5	Confident	28 Å²	28	72.9 Å²	72.9	13%	0.131	37%	0.373	C	S	.	.	P	Polyproline II helix	trans	-62.9	146.4	175.8	-67.6	176.8	-18.8	0	0	110.2	N261 Q356 M362 H363	N261-Q358 PolarHBondContact OD1-NE2 3Å; N261-Q358 PolarHBondContact OD1-OE1 3.28Å; N261-Q358 VanDerWaalsContact OD1-OE1 3.11Å; Q356-Q358 PolarHBondContact O-N 3.25Å; Q358-M362 HydrophobicContact CB-CB 4.32Å; Q358-H363 PolarHBondContact OE1-CE1 3.38Å; Q358-H363 PolarHBondContact OE1-ND1 3.05Å
359	S	83.9	Confident	86.5	Confident	53 Å²	53	69 Å²	69	37%	0.371	35%	0.353	S	S	.	.	P	Polyproline II helix	trans	-70.7	160.5	172.7	66	0	0	0	0	110.9	D361 M362 H363	S359-D361 VanDerWaalsContact C-N 3.28Å; S359-D361 PolarHBondContact O-N 3.15Å; S359-M362 PolarHBondContact O-N 2.98Å; S359-M362 VanDerWaalsContact O-N 3.1Å; S359-M362 WeakPolarHBondContact OG-CG 3.12Å; S359-M362 PolarHBondContact OG-N 3.09Å; S359-H363 PolarHBondContact O-CD2 3.35Å; S359-H363 PolarHBondContact O-N 3.25Å
360	E	86.4	Confident	87.2	Confident	171 Å²	171	62.1 Å²	62.1	80%	0.799	32%	0.317	S	S	*	.	H	α-helix	trans	-58.1	-41.3	176.6	-66.8	-178.1	172.8	0	0	111.8	M362 H363 A364	E360-M362 PolarHBondContact O-N 3.26Å; E360-H363 PolarHBondContact O-N 2.51Å; E360-A364 WeakPolarHBondContact O-CB 3.49Å; E360-A364 PolarHBondContact O-N 3.38Å
361	D	86	Confident	87.7	Confident	130 Å²	130	61.6 Å²	61.6	70%	0.695	31%	0.309	S	S	*	.	H	α-helix	trans	-57.8	-37	175.8	-61.6	-26.6	0	0	0	112.6	S359 F365	S359-D361 VanDerWaalsContact C-N 3.28Å; S359-D361 PolarHBondContact O-N 3.15Å; D361-F365 WeakPolarHBondContact O-CB 3.43Å; D361-F365 PolarHBondContact O-N 2.71Å
362	M	85.1	Confident	88.1	Confident	13 Å²	13	62.1 Å²	62.1	6%	0.064	31%	0.306	C	S	.	.	H	α-helix	trans	-75.6	-40.1	179.2	-70.2	-178.4	73.2	0	0	112	F268 Y347 Q358 S359 E360 A364 F365 V366	F268-M362 HydrophobicContact CB-CE 3.63Å; F268-M362 HydrophobicContact CD1-CE 3.88Å; F268-M362 HydrophobicContact CD2-CE 3.06Å; F268-M362 HydrophobicContact CE1-CE 4.27Å; F268-M362 HydrophobicContact CE2-CE 3.53Å; F268-M362 HydrophobicContact CG-CE 3.26Å; F268-M362 HydrophobicContact CZ-CE 4.1Å; Y347-M362 HydrophobicContact CE2-CE 3.58Å; Y347-M362 HydrophobicContact CE2-SD 3.46Å; Y347-M362 WeakPolarHBondContact CE2-SD 3.35Å; Y347-M362 WeakPolarHBondContact OH-CE 3.46Å; Y347-M362 PolarHBondContact OH-SD 2.86Å; Q358-M362 HydrophobicContact CB-CB 4.32Å; S359-M362 PolarHBondContact O-N 2.98Å; S359-M362 VanDerWaalsContact O-N 3.1Å; S359-M362 WeakPolarHBondContact OG-CG 3.12Å; S359-M362 PolarHBondContact OG-N 3.09Å; E360-M362 PolarHBondContact O-N 3.26Å; M362-A364 VanDerWaalsContact C-N 3.28Å; M362-A364 PolarHBondContact O-N 3.25Å; M362-F365 PolarHBondContact O-N 2.91Å; M362-V366 VanDerWaalsContact O-CG2 3.31Å; M362-V366 WeakPolarHBondContact O-CG2 3.31Å; M362-V366 PolarHBondContact O-N 3.12Å
363	H	89.1	Confident	88.6	Confident	75 Å²	75	56.9 Å²	56.9	35%	0.347	29%	0.286	S	S	.	.	H	α-helix	trans	-59.9	-42.3	172.1	-76.8	-51.9	0	0	0	111.2	Q358 S359 E360 T367	Q358-H363 PolarHBondContact OE1-CE1 3.38Å; Q358-H363 PolarHBondContact OE1-ND1 3.05Å; S359-H363 PolarHBondContact O-CD2 3.35Å; S359-H363 PolarHBondContact O-N 3.25Å; E360-H363 PolarHBondContact O-N 2.51Å; H363-T367 WeakPolarHBondContact O-CB 3.14Å; H363-T367 PolarHBondContact O-N 3.22Å; H363-T367 PolarHBondContact O-OG1 3.47Å
364	A	90.3	Very high	89	Confident	59 Å²	59	52.8 Å²	52.8	49%	0.488	27%	0.27	S	S	.	.	H	α-helix	trans	-62.8	-44.8	174	0	0	0	0	0	111.6	E360 M362 T367 E368	E360-A364 WeakPolarHBondContact O-CB 3.49Å; E360-A364 PolarHBondContact O-N 3.38Å; M362-A364 VanDerWaalsContact C-N 3.28Å; M362-A364 PolarHBondContact O-N 3.25Å; A364-T367 WeakPolarHBondContact O-CB 3.3Å; A364-T367 PolarHBondContact O-N 2.84Å; A364-E368 PolarHBondContact O-N 2.84Å
365	F	91.8	Very high	89.4	Confident	11 Å²	11	53 Å²	53	5%	0.048	27%	0.271	C	S	.	.	H	α-helix	trans	-61.8	-47.6	177	179.8	-98.8	0	0	0	112.5	M264 F268 L337 A338 M342 D361 M362 T367 E368 V369	M264-F365 HydrophobicContact CE-CD1 3.65Å; M264-F365 HydrophobicContact CE-CE1 3.31Å; M264-F365 HydrophobicContact CE-CZ 4.45Å; F268-F365 HydrophobicContact CE1-CD1 4.13Å; F268-F365 HydrophobicContact CE1-CE1 4.12Å; F268-F365 HydrophobicContact CZ-CD1 4.04Å; F268-F365 HydrophobicContact CZ-CE1 4.29Å; L337-F365 HydrophobicContact CB-CE2 4.2Å; L337-F365 HydrophobicContact CB-CZ 3.82Å; A338-F365 HydrophobicContact CB-CZ 4.22Å; M342-F365 HydrophobicContact CE-CB 4.31Å; M342-F365 HydrophobicContact CE-CD1 3.17Å; M342-F365 HydrophobicContact CE-CD2 3.54Å; M342-F365 HydrophobicContact CE-CE1 3.12Å; M342-F365 HydrophobicContact CE-CE2 3.49Å; M342-F365 VanDerWaalsContact CE-CE2 3.49Å; M342-F365 HydrophobicContact CE-CG 3.38Å; M342-F365 HydrophobicContact CE-CZ 3.27Å; D361-F365 WeakPolarHBondContact O-CB 3.43Å; D361-F365 PolarHBondContact O-N 2.71Å; M362-F365 PolarHBondContact O-N 2.91Å; F365-T367 VanDerWaalsContact C-N 3.26Å; F365-T367 PolarHBondContact O-N 3Å; F365-E368 PolarHBondContact O-N 3.43Å; F365-V369 HydrophobicContact CD1-CG2 4.03Å; F365-V369 HydrophobicContact CD2-CG2 4.42Å; F365-V369 HydrophobicContact CE1-CG2 3.56Å; F365-V369 HydrophobicContact CE2-CG2 4Å; F365-V369 HydrophobicContact CG-CG2 4.45Å; F365-V369 HydrophobicContact CZ-CG2 3.56Å; F365-V369 WeakPolarHBondContact O-CG2 3.46Å; F365-V369 PolarHBondContact O-N 2.89Å
366	V	93.8	Very high	89.9	Confident	1 Å²	1	52.1 Å²	52.1	1%	0.006	26%	0.263	C	S	.	.	H	α-helix	trans	-62.4	-38.9	178.3	175.7	0	0	0	0	110.5	F257 L260 N261 M264 F268 M362 V369 A370	F257-V366 HydrophobicContact CB-CG1 4.49Å; L260-V366 HydrophobicContact CB-CG1 4.34Å; L260-V366 HydrophobicContact CD2-CG1 3.78Å; L260-V366 HydrophobicContact CG-CG1 3.94Å; N261-V366 WeakPolarHBondContact OD1-CB 3.32Å; N261-V366 VanDerWaalsContact OD1-CG1 3.26Å; N261-V366 WeakPolarHBondContact OD1-CG1 3.49Å; N261-V366 VanDerWaalsContact OD1-CG2 3.31Å; N261-V366 WeakPolarHBondContact OD1-CG2 3.31Å; M264-V366 HydrophobicContact CE-CG2 3.96Å; M264-V366 HydrophobicContact SD-CB 4.3Å; M264-V366 HydrophobicContact SD-CG1 3.97Å; M264-V366 HydrophobicContact SD-CG2 3.82Å; F268-V366 HydrophobicContact CE2-CG2 3.99Å; F268-V366 HydrophobicContact CZ-CG2 3.93Å; M362-V366 VanDerWaalsContact O-CG2 3.31Å; M362-V366 WeakPolarHBondContact O-CG2 3.31Å; M362-V366 PolarHBondContact O-N 3.12Å; V366-V369 PolarHBondContact O-N 2.86Å; V366-A370 WeakPolarHBondContact O-CB 3.36Å; V366-A370 PolarHBondContact O-N 2.92Å
367	T	93.8	Very high	90.7	Very high	35 Å²	35	49.5 Å²	49.5	22%	0.215	25%	0.25	C	S	.	.	H	α-helix	trans	-59.9	-50.5	173.8	-57.3	0	0	0	0	110.8	F257 H363 A364 F365 V369 A370 Y371 P529	F257-T367 HydrophobicContact CE1-CG2 3.97Å; F257-T367 HydrophobicContact CZ-CG2 3.84Å; H363-T367 WeakPolarHBondContact O-CB 3.14Å; H363-T367 PolarHBondContact O-N 3.22Å; H363-T367 PolarHBondContact O-OG1 3.47Å; A364-T367 WeakPolarHBondContact O-CB 3.3Å; A364-T367 PolarHBondContact O-N 2.84Å; F365-T367 VanDerWaalsContact C-N 3.26Å; F365-T367 PolarHBondContact O-N 3Å; T367-V369 VanDerWaalsContact C-N 3.34Å; T367-V369 PolarHBondContact O-N 2.8Å; T367-A370 WeakPolarHBondContact O-CB 3.26Å; T367-A370 PolarHBondContact O-N 3.28Å; T367-Y371 HydrophobicContact CG2-CD2 3.9Å; T367-Y371 HydrophobicContact CG2-CE2 3.88Å; T367-Y371 WeakPolarHBondContact O-CD2 3.32Å; T367-Y371 PolarHBondContact O-N 3Å; T367-Y371 VanDerWaalsContact O-N 3.12Å; T367-P529 HydrophobicContact CG2-CG 4.37Å
368	E	93.1	Very high	91.4	Very high	67 Å²	67	40.9 Å²	40.9	31%	0.313	21%	0.214	S	C	.	.	H	α-helix	trans	-57.8	-46.1	177.9	-170.8	-167.7	157.9	0	0	111.5	R341 A364 F365 A370 K372 L528	R341-E368 IonicContact CZ-OE1 2.67Å; R341-E368 IonicContact NH1-OE1 3.96Å; R341-E368 PolarHBondContact NH1-OE1 3.13Å; R341-E368 IonicContact NH1-OE2 2.77Å; A364-E368 PolarHBondContact O-N 2.84Å; F365-E368 PolarHBondContact O-N 3.43Å; E368-A370 VanDerWaalsContact C-N 3.33Å; E368-A370 PolarHBondContact O-N 3.09Å; E368-K372 VanDerWaalsContact O-CB 3.26Å; E368-K372 WeakPolarHBondContact O-CB 3.3Å; E368-K372 PolarHBondContact O-N 2.97Å; E368-L528 HydrophobicContact CG-CD1 4.37Å
369	V	95.7	Very high	92.1	Very high	3 Å²	3	42.2 Å²	42.2	2%	0.018	22%	0.22	C	C	.	.	H	α-helix	trans	-61.1	-42.6	177.7	174.4	0	0	0	0	111.1	M264 L277 L334 L337 F365 V366 T367 K372 M373	M264-V369 HydrophobicContact CE-CB 4.13Å; M264-V369 HydrophobicContact CE-CG1 4.18Å; M264-V369 HydrophobicContact CE-CG2 3.96Å; M264-V369 HydrophobicContact SD-CG1 4.39Å; L277-V369 HydrophobicContact CD1-CG1 3.43Å; L277-V369 VanDerWaalsContact CD1-CG1 3.43Å; L334-V369 HydrophobicContact CD2-CG1 4.42Å; L337-V369 HydrophobicContact CD1-CG1 4.21Å; L337-V369 HydrophobicContact CD1-CG2 3.9Å; F365-V369 HydrophobicContact CD1-CG2 4.03Å; F365-V369 HydrophobicContact CD2-CG2 4.42Å; F365-V369 HydrophobicContact CE1-CG2 3.56Å; F365-V369 HydrophobicContact CE2-CG2 4Å; F365-V369 HydrophobicContact CG-CG2 4.45Å; F365-V369 HydrophobicContact CZ-CG2 3.56Å; F365-V369 WeakPolarHBondContact O-CG2 3.46Å; F365-V369 PolarHBondContact O-N 2.89Å; V366-V369 PolarHBondContact O-N 2.86Å; T367-V369 VanDerWaalsContact C-N 3.34Å; T367-V369 PolarHBondContact O-N 2.8Å; V369-K372 PolarHBondContact O-N 3.41Å; V369-M373 HydrophobicContact CG1-CG 4.32Å; V369-M373 WeakPolarHBondContact O-CG 3.37Å; V369-M373 PolarHBondContact O-N 2.93Å
370	A	96.4	Very high	92.5	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-60.1	-53.9	-179.5	0	0	0	0	0	112	L242 P255 F257 L260 V366 T367 E368 K372 M373 E374	L242-A370 HydrophobicContact CD2-CB 4.07Å; L242-A370 WeakPolarHBondContact CD2-O 3.48Å; P255-A370 HydrophobicContact CB-CB 3.76Å; P255-A370 HydrophobicContact CG-CB 3.95Å; F257-A370 HydrophobicContact CD1-CB 3.78Å; F257-A370 HydrophobicContact CE1-CB 3.72Å; L260-A370 HydrophobicContact CD2-CB 3.45Å; L260-A370 VanDerWaalsContact CD2-CB 3.45Å; V366-A370 WeakPolarHBondContact O-CB 3.36Å; V366-A370 PolarHBondContact O-N 2.92Å; T367-A370 WeakPolarHBondContact O-CB 3.26Å; T367-A370 PolarHBondContact O-N 3.28Å; E368-A370 VanDerWaalsContact C-N 3.33Å; E368-A370 PolarHBondContact O-N 3.09Å; A370-K372 VanDerWaalsContact C-N 3.27Å; A370-K372 PolarHBondContact O-N 2.93Å; A370-M373 PolarHBondContact O-N 2.71Å; A370-M373 VanDerWaalsContact O-N 3.14Å; A370-E374 PolarHBondContact O-N 3.37Å; A370-E374 VanDerWaalsContact O-N 3.14Å
371	Y	95.4	Very high	92.9	Very high	39 Å²	39	32.4 Å²	32.4	15%	0.153	17%	0.169	C	C	.	.	H	α-helix	trans	-62.4	-35.6	177.8	-82.9	-89.2	0	0	0	111.8	P255 F257 T367 E374 L375 I526 F527 P529	P255-Y371 HydrophobicContact CG-CD1 4.32Å; P255-Y371 HydrophobicContact CG-CD2 3.77Å; P255-Y371 HydrophobicContact CG-CE1 4.26Å; P255-Y371 HydrophobicContact CG-CE2 3.71Å; P255-Y371 HydrophobicContact CG-CG 4.08Å; F257-Y371 HydrophobicContact CE1-CE2 4.32Å; F257-Y371 HydrophobicContact CZ-CE2 4.07Å; T367-Y371 HydrophobicContact CG2-CD2 3.9Å; T367-Y371 HydrophobicContact CG2-CE2 3.88Å; T367-Y371 WeakPolarHBondContact O-CD2 3.32Å; T367-Y371 PolarHBondContact O-N 3Å; T367-Y371 VanDerWaalsContact O-N 3.12Å; Y371-E374 PolarHBondContact O-N 3.46Å; Y371-L375 WeakPolarHBondContact O-CB 3.37Å; Y371-L375 VanDerWaalsContact O-CG 3.29Å; Y371-L375 WeakPolarHBondContact O-CG 3.42Å; Y371-L375 PolarHBondContact O-N 3.15Å; Y371-I526 HydrophobicContact CD1-CG2 3.78Å; Y371-I526 HydrophobicContact CE1-CG2 4.24Å; Y371-F527 WeakPolarHBondContact CD1-O 3.46Å; Y371-P529 HydrophobicContact CD2-CG 4.11Å; Y371-P529 HydrophobicContact CE2-CG 4.07Å
372	K	94.9	Very high	93.3	Very high	74 Å²	74	26.3 Å²	26.3	32%	0.322	14%	0.137	S	C	.	.	H	α-helix	trans	-63.5	-41.8	174.7	-176	172.8	179.3	172	0	112.1	L337 E368 V369 A370 L375 L376	L337-K372 HydrophobicContact CD2-CD 4.16Å; E368-K372 VanDerWaalsContact O-CB 3.26Å; E368-K372 WeakPolarHBondContact O-CB 3.3Å; E368-K372 PolarHBondContact O-N 2.97Å; V369-K372 PolarHBondContact O-N 3.41Å; A370-K372 VanDerWaalsContact C-N 3.27Å; A370-K372 PolarHBondContact O-N 2.93Å; K372-L375 PolarHBondContact O-N 2.84Å; K372-L376 HydrophobicContact CG-CD1 4.42Å; K372-L376 WeakPolarHBondContact O-CG 3.45Å; K372-L376 PolarHBondContact O-N 3.01Å
373	M	96.6	Very high	93.7	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-64.4	-41.7	177.9	-67.4	-55.3	97.3	0	0	111.5	L159 L242 L277 V332 V369 A370 L376 Q377	L159-M373 HydrophobicContact CD1-CB 4.07Å; L159-M373 HydrophobicContact CD1-CG 3.69Å; L159-M373 HydrophobicContact CD1-SD 4.28Å; L242-M373 HydrophobicContact CD2-CB 4.17Å; L277-M373 HydrophobicContact CB-SD 3.77Å; L277-M373 HydrophobicContact CD1-CG 4.15Å; L277-M373 HydrophobicContact CD1-SD 4.17Å; V332-M373 HydrophobicContact CB-CE 4.06Å; V332-M373 HydrophobicContact CB-SD 4.4Å; V332-M373 HydrophobicContact CG1-CE 4.07Å; V332-M373 HydrophobicContact CG2-CE 3.93Å; V332-M373 HydrophobicContact CG2-SD 4.31Å; V369-M373 HydrophobicContact CG1-CG 4.32Å; V369-M373 WeakPolarHBondContact O-CG 3.37Å; V369-M373 PolarHBondContact O-N 2.93Å; A370-M373 PolarHBondContact O-N 2.71Å; A370-M373 VanDerWaalsContact O-N 3.14Å; M373-L376 HydrophobicContact CE-CD1 3.71Å; M373-L376 PolarHBondContact O-N 2.98Å; M373-L376 HydrophobicContact SD-CD1 4.46Å; M373-Q377 WeakPolarHBondContact O-CG 3.32Å; M373-Q377 PolarHBondContact O-N 2.62Å
374	E	94.3	Very high	94	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-63.8	-42.7	174.7	-83.7	173.5	-175.7	0	0	112.9	L242 T252 P255 A370 Y371 L376 Q377 V378 I526	L242-E374 HydrophobicContact CD2-CG 3.86Å; T252-E374 HydrophobicContact CG2-CB 4.42Å; T252-E374 HydrophobicContact CG2-CG 4.27Å; P255-E374 WeakPolarHBondContact CA-OE1 3.42Å; P255-E374 WeakPolarHBondContact CB-OE1 3.48Å; P255-E374 WeakPolarHBondContact CD-OE1 3.36Å; P255-E374 WeakPolarHBondContact CD-OE2 3.46Å; P255-E374 WeakPolarHBondContact CG-OE2 3.11Å; P255-E374 VanDerWaalsContact N-OE1 3.14Å; A370-E374 PolarHBondContact O-N 3.37Å; A370-E374 VanDerWaalsContact O-N 3.14Å; Y371-E374 PolarHBondContact O-N 3.46Å; E374-L376 VanDerWaalsContact C-N 3.25Å; E374-L376 PolarHBondContact O-N 2.77Å; E374-Q377 WeakPolarHBondContact O-CB 3.42Å; E374-Q377 PolarHBondContact O-N 2.99Å; E374-Q377 VanDerWaalsContact O-N 3.13Å; E374-V378 WeakPolarHBondContact O-CG2 3.49Å; E374-V378 PolarHBondContact O-N 3.02Å; E374-I526 HydrophobicContact CB-CG2 4.46Å
375	L	93.6	Very high	94.2	Very high	43 Å²	43	20.4 Å²	20.4	23%	0.225	10%	0.101	C	C	.	.	H	α-helix	trans	-62.4	-34.5	176.2	-71.6	171.6	0	0	0	111.8	Y371 K372 V378 E379 I526 L528	Y371-L375 WeakPolarHBondContact O-CB 3.37Å; Y371-L375 VanDerWaalsContact O-CG 3.29Å; Y371-L375 WeakPolarHBondContact O-CG 3.42Å; Y371-L375 PolarHBondContact O-N 3.15Å; K372-L375 PolarHBondContact O-N 2.84Å; L375-V378 PolarHBondContact O-N 3.37Å; L375-E379 WeakPolarHBondContact O-CB 3.15Å; L375-E379 PolarHBondContact O-N 3.04Å; L375-I526 HydrophobicContact CD2-CB 4.5Å; L375-I526 HydrophobicContact CD2-CG2 4.02Å; L375-I526 HydrophobicContact CG-CG2 4.23Å; L375-L528 HydrophobicContact CD1-CB 4.24Å
376	L	95.3	Very high	94.5	Very high	38 Å²	38	20 Å²	20	20%	0.199	10%	0.099	C	C	.	.	H	α-helix	trans	-69.2	-38.3	172.7	-69.6	171	0	0	0	112.3	P279 V332 K372 M373 E374 V378 E379 N380	P279-L376 HydrophobicContact CB-CB 3.91Å; P279-L376 HydrophobicContact CG-CB 3.77Å; P279-L376 HydrophobicContact CG-CD1 4.01Å; V332-L376 HydrophobicContact CG2-CD1 3.95Å; K372-L376 HydrophobicContact CG-CD1 4.42Å; K372-L376 WeakPolarHBondContact O-CG 3.45Å; K372-L376 PolarHBondContact O-N 3.01Å; M373-L376 HydrophobicContact CE-CD1 3.71Å; M373-L376 PolarHBondContact O-N 2.98Å; M373-L376 HydrophobicContact SD-CD1 4.46Å; E374-L376 VanDerWaalsContact C-N 3.25Å; E374-L376 PolarHBondContact O-N 2.77Å; L376-V378 VanDerWaalsContact C-N 3.31Å; L376-V378 PolarHBondContact O-N 3.15Å; L376-E379 PolarHBondContact O-N 3.03Å; L376-N380 VanDerWaalsContact O-CB 3.29Å; L376-N380 WeakPolarHBondContact O-CB 3.4Å; L376-N380 PolarHBondContact O-N 3.11Å; L376-N380 PolarHBondContact O-ND2 2.93Å
377	Q	95.3	Very high	94.6	Very high	4 Å²	4	20 Å²	20	2%	0.019	10%	0.099	C	C	.	.	H	α-helix	trans	-61.5	-41.4	172.6	-68.7	171.2	-23.7	0	0	111.6	L159 P160 P279 S281 M373 E374 N380 M381	L159-Q377 PolarHBondContact O-NE2 2.96Å; P160-Q377 VanDerWaalsContact C-NE2 3.3Å; P160-Q377 PolarHBondContact O-NE2 3.34Å; P279-Q377 HydrophobicContact CB-CG 3.97Å; S281-Q377 WeakPolarHBondContact CB-O 3.16Å; S281-Q377 PolarHBondContact OG-O 2.85Å; M373-Q377 WeakPolarHBondContact O-CG 3.32Å; M373-Q377 PolarHBondContact O-N 2.62Å; E374-Q377 WeakPolarHBondContact O-CB 3.42Å; E374-Q377 PolarHBondContact O-N 2.99Å; E374-Q377 VanDerWaalsContact O-N 3.13Å; Q377-N380 CarbonylContact O-C 3.54Å; Q377-N380 PolarHBondContact O-N 3.09Å; Q377-M381 PolarHBondContact O-N 3.27Å; Q377-M381 VanDerWaalsContact O-N 3.12Å
378	V	92.6	Very high	94.8	Very high	15 Å²	15	18.3 Å²	18.3	9%	0.091	9%	0.089	C	C	.	.	H	α-helix	trans	-65.1	-46.4	176.5	164.9	0	0	0	0	111.3	T252 E374 L375 L376 N380 M381 N487	T252-V378 HydrophobicContact CG2-CG2 4.29Å; T252-V378 WeakPolarHBondContact OG1-CG2 3.4Å; E374-V378 WeakPolarHBondContact O-CG2 3.49Å; E374-V378 PolarHBondContact O-N 3.02Å; L375-V378 PolarHBondContact O-N 3.37Å; L376-V378 VanDerWaalsContact C-N 3.31Å; L376-V378 PolarHBondContact O-N 3.15Å; V378-N380 PolarHBondContact O-N 3.41Å; V378-M381 VanDerWaalsContact O-CB 3.3Å; V378-M381 WeakPolarHBondContact O-CB 3.46Å; V378-M381 PolarHBondContact O-N 2.9Å; V378-M381 VanDerWaalsContact O-N 3.16Å; V378-N487 HydrophobicContact CG1-CB 3.47Å; V378-N487 VanDerWaalsContact CG1-CB 3.47Å; V378-N487 HydrophobicContact CG2-CB 4.38Å
379	E	90.8	Very high	95	Very high	55 Å²	55	15.1 Å²	15.1	26%	0.257	7%	0.074	S	C	.	.	H	α-helix	trans	-59.9	-35.8	178	-174.5	-177.6	162.8	0	0	111.8	K27 K30 L375 L376 M381	K27-E379 IonicContact NZ-OE1 3.32Å; K30-E379 IonicContact NZ-OE1 2.89Å; K30-E379 PolarHBondContact NZ-OE1 3.47Å; L375-E379 WeakPolarHBondContact O-CB 3.15Å; L375-E379 PolarHBondContact O-N 3.04Å; L376-E379 PolarHBondContact O-N 3.03Å; E379-M381 VanDerWaalsContact C-N 3.34Å
380	N	92.8	Very high	95.1	Very high	5 Å²	5	15 Å²	15	3%	0.027	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.9	5.3	-178.5	-67.6	-18.6	0	0	0	113.5	Y327 G329 L376 Q377 V378 V382	Y327-N380 WeakPolarHBondContact CB-O 2.99Å; Y327-N380 HydrophobicContact CD1-CB 3.41Å; Y327-N380 VanDerWaalsContact CD1-CB 3.41Å; Y327-N380 HydrophobicContact CE1-CB 3.83Å; Y327-N380 VanDerWaalsContact CE1-CG 3.41Å; Y327-N380 HydrophobicContact CG-CB 4.04Å; G329-N380 WeakPolarHBondContact CA-ND2 3.35Å; L376-N380 VanDerWaalsContact O-CB 3.29Å; L376-N380 WeakPolarHBondContact O-CB 3.4Å; L376-N380 PolarHBondContact O-N 3.11Å; L376-N380 PolarHBondContact O-ND2 2.93Å; Q377-N380 CarbonylContact O-C 3.54Å; Q377-N380 PolarHBondContact O-N 3.09Å; V378-N380 PolarHBondContact O-N 3.41Å; N380-V382 PolarHBondContact O-N 3.32Å
381	M	93.6	Very high	95.1	Very high	13 Å²	13	15 Å²	15	6%	0.064	7%	0.073	C	C	.	.	P	Polyproline II helix	trans	-73.7	124.1	-178.7	-173.2	172.7	68.2	0	0	110.8	S281 S283 Q377 V378 E379 L383 Q484	S281-M381 VanDerWaalsContact OG-CA 3.24Å; S281-M381 WeakPolarHBondContact OG-CA 3.35Å; S281-M381 WeakPolarHBondContact OG-CB 3.45Å; S283-M381 WeakPolarHBondContact OG-CG 3.46Å; Q377-M381 PolarHBondContact O-N 3.27Å; Q377-M381 VanDerWaalsContact O-N 3.12Å; V378-M381 VanDerWaalsContact O-CB 3.3Å; V378-M381 WeakPolarHBondContact O-CB 3.46Å; V378-M381 PolarHBondContact O-N 2.9Å; V378-M381 VanDerWaalsContact O-N 3.16Å; E379-M381 VanDerWaalsContact C-N 3.34Å; M381-L383 HydrophobicContact CE-CD2 3.87Å; M381-Q484 HydrophobicContact CE-CB 4.38Å; M381-Q484 WeakPolarHBondContact CE-O 3.34Å
382	V	94.2	Very high	95.2	Very high	3 Å²	3	13.4 Å²	13.4	2%	0.018	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	129.4	176.8	178.1	0	0	0	0	109.4	F35 S283 H325 N380 F422 I424	F35-V382 HydrophobicContact CE2-CG2 4.26Å; F35-V382 HydrophobicContact CZ-CG2 3.7Å; S283-V382 WeakPolarHBondContact CB-O 3.15Å; S283-V382 PolarHBondContact OG-N 3.48Å; S283-V382 PolarHBondContact OG-O 2.82Å; H325-V382 HydrophobicContact CB-CB 3.81Å; H325-V382 HydrophobicContact CB-CG1 3.83Å; H325-V382 HydrophobicContact CB-CG2 3.9Å; N380-V382 PolarHBondContact O-N 3.32Å; V382-F422 HydrophobicContact CG2-CD1 3.6Å; V382-F422 HydrophobicContact CG2-CE1 3.75Å; V382-F422 HydrophobicContact CG2-CG 4.39Å; V382-I424 HydrophobicContact CG1-CB 4.17Å; V382-I424 HydrophobicContact CG1-CD1 3.39Å; V382-I424 HydrophobicContact CG1-CG1 3.64Å
383	L	94.9	Very high	95.2	Very high	0 Å²	0	10 Å²	10	0%	0	5%	0.053	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	138.6	178.3	-59.6	168.3	0	0	0	110.2	M381 T416 F422 L423 I424 Q484 L485 I488	M381-L383 HydrophobicContact CE-CD2 3.87Å; L383-T416 HydrophobicContact CD1-CG2 3.66Å; L383-F422 WeakPolarHBondContact CB-O 3.49Å; L383-F422 WeakPolarHBondContact CG-O 3.25Å; L383-F422 PolarHBondContact N-O 3.26Å; L383-L423 HydrophobicContact CB-CD1 3.76Å; L383-L423 WeakPolarHBondContact O-CD1 3.35Å; L383-I424 PolarHBondContact O-N 3.49Å; L383-I424 VanDerWaalsContact O-N 3.1Å; L383-Q484 HydrophobicContact CD2-CB 4.26Å; L383-L485 HydrophobicContact CD1-CD2 3.69Å; L383-L485 HydrophobicContact CD2-CD2 3.9Å; L383-L485 HydrophobicContact CG-CD2 4.29Å; L383-I488 HydrophobicContact CD1-CD1 3.19Å; L383-I488 HydrophobicContact CD2-CD1 4.32Å; L383-I488 HydrophobicContact CG-CD1 4.14Å
384	S	94.1	Very high	95.1	Very high	9 Å²	9	11.1 Å²	11.1	6%	0.063	6%	0.059	C	C	.	.	P	Polyproline II helix	trans	-91.1	156	172.1	72	0	0	0	0	111.3	D285 W386 T387	D285-S384 WeakPolarHBondContact OD1-CB 3.26Å; S384-W386 PolarHBondContact O-N 3.17Å; S384-T387 PolarHBondContact O-N 3.21Å; S384-T387 VanDerWaalsContact O-N 3.12Å; S384-T387 PolarHBondContact O-OG1 3.14Å
385	P	95.9	Very high	95.1	Very high	14 Å²	14	14.5 Å²	14.5	9%	0.091	8%	0.075	C	C	.	.	H	α-helix	trans	-53.3	-35.1	174	-27.8	36.5	0	0	0	113.3	T387 L388 I389 I424 W425 V434	P385-T387 VanDerWaalsContact C-N 3.27Å; P385-T387 PolarHBondContact O-N 3.26Å; P385-L388 WeakPolarHBondContact O-CB 3.33Å; P385-L388 PolarHBondContact O-N 3.38Å; P385-L388 VanDerWaalsContact O-N 3.09Å; P385-I389 WeakPolarHBondContact O-CG1 3.44Å; P385-I389 PolarHBondContact O-N 3.43Å; P385-I389 VanDerWaalsContact O-N 3.09Å; P385-I424 WeakPolarHBondContact CD-O 2.93Å; P385-W425 HydrophobicContact CB-CE3 3.95Å; P385-W425 HydrophobicContact CB-CH2 4.4Å; P385-W425 HydrophobicContact CB-CZ3 3.66Å; P385-W425 HydrophobicContact CG-CD2 4.47Å; P385-W425 HydrophobicContact CG-CE3 3.77Å; P385-W425 HydrophobicContact CG-CZ3 4.03Å; P385-V434 HydrophobicContact CB-CG1 3.83Å; P385-V434 HydrophobicContact CG-CG1 3.62Å
386	W	96.6	Very high	95.1	Very high	2 Å²	2	14.7 Å²	14.7	1%	0.008	8%	0.076	C	C	.	.	H	α-helix	trans	-57.2	-37.4	178.9	-179.7	-116	0	0	0	113.4	S384 L388 I389 V390 I439 H442 I445 A446 Y481	S384-W386 PolarHBondContact O-N 3.17Å; W386-L388 VanDerWaalsContact C-N 3.27Å; W386-L388 PolarHBondContact O-N 2.99Å; W386-I389 HydrophobicContact CE3-CB 4.28Å; W386-I389 HydrophobicContact CE3-CD1 4.44Å; W386-I389 HydrophobicContact CE3-CG2 4.1Å; W386-I389 HydrophobicContact CZ3-CG2 4.03Å; W386-I389 PolarHBondContact O-N 3.48Å; W386-V390 HydrophobicContact CD2-CG2 3.67Å; W386-V390 HydrophobicContact CE3-CG2 4.17Å; W386-V390 HydrophobicContact CG-CG2 4.24Å; W386-V390 HydrophobicContact CH2-CG2 3.85Å; W386-V390 HydrophobicContact CZ2-CG2 3.29Å; W386-V390 HydrophobicContact CZ3-CG2 4.25Å; W386-V390 WeakPolarHBondContact O-CG2 3.37Å; W386-V390 PolarHBondContact O-N 3.07Å; W386-I439 HydrophobicContact CZ3-CG1 4.2Å; W386-H442 AromaticContact CD1-CD2 3.53Å; W386-H442 AromaticContact CD1-CE1 3.46Å; W386-H442 VanDerWaalsContact CD1-CE1 3.46Å; W386-H442 AromaticContact CD1-CG 3.82Å; W386-H442 AromaticContact CD1-ND1 3.77Å; W386-H442 AromaticContact CD1-NE2 3.32Å; W386-H442 VanDerWaalsContact CD1-NE2 3.32Å; W386-H442 HydrophobicContact CD2-CB 3.94Å; W386-H442 AromaticContact CD2-CD2 3.33Å; W386-H442 AromaticContact CD2-CG 3.6Å; W386-H442 AromaticContact CD2-NE2 3.96Å; W386-H442 VanDerWaalsContact CE2-CB 3.49Å; W386-H442 AromaticContact CE2-CD2 3.56Å; W386-H442 AromaticContact CE2-CG 3.29Å; W386-H442 AromaticContact CE2-ND1 3.74Å; W386-H442 HydrophobicContact CE3-CB 4.14Å; W386-H442 AromaticContact CE3-CD2 3.9Å; W386-H442 AromaticContact CG-CD2 3.34Å; W386-H442 AromaticContact CG-CG 3.93Å; W386-H442 AromaticContact CG-NE2 3.45Å; W386-H442 HydrophobicContact CH2-CB 3.56Å; W386-H442 HydrophobicContact CZ2-CB 3.3Å; W386-H442 AromaticContact CZ2-CG 3.69Å; W386-H442 HydrophobicContact CZ3-CB 3.97Å; W386-H442 AromaticContact NE1-CD2 3.66Å; W386-H442 AromaticContact NE1-CE1 3.56Å; W386-H442 AromaticContact NE1-CG 3.44Å; W386-H442 AromaticContact NE1-ND1 3.38Å; W386-H442 PolarHBondContact NE1-ND1 3.31Å; W386-H442 AromaticContact NE1-NE2 3.75Å; W386-I445 HydrophobicContact CH2-CB 4.48Å; W386-I445 HydrophobicContact CH2-CG2 4.33Å; W386-I445 HydrophobicContact CZ2-CB 4.09Å; W386-I445 HydrophobicContact CZ2-CD1 4.15Å; W386-I445 HydrophobicContact CZ2-CG2 3.95Å; W386-A446 HydrophobicContact CH2-CB 3.96Å; W386-Y481 AromaticContact CD1-CD1 3.4Å; W386-Y481 VanDerWaalsContact CD1-CD1 3.4Å; W386-Y481 AromaticContact CD1-CD2 3.86Å; W386-Y481 AromaticContact CD1-CE1 3.63Å; W386-Y481 AromaticContact CD1-CG 3.53Å; W386-Y481 AromaticContact CD1-CZ 3.96Å; W386-Y481 AromaticContact NE1-CD1 3.69Å; W386-Y481 AromaticContact NE1-CD2 3.22Å; W386-Y481 AromaticContact NE1-CE1 3.85Å; W386-Y481 AromaticContact NE1-CE2 3.39Å; W386-Y481 AromaticContact NE1-CG 3.38Å; W386-Y481 AromaticContact NE1-CZ 3.72Å
387	T	96.6	Very high	94.7	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-59.7	-39.1	177.4	63.5	0	0	0	0	112.1	S384 P385 A391 Q484 L485	S384-T387 PolarHBondContact O-N 3.21Å; S384-T387 VanDerWaalsContact O-N 3.12Å; S384-T387 PolarHBondContact O-OG1 3.14Å; P385-T387 VanDerWaalsContact C-N 3.27Å; P385-T387 PolarHBondContact O-N 3.26Å; T387-A391 PolarHBondContact O-N 2.82Å; T387-Q484 HydrophobicContact CG2-CB 4.11Å; T387-Q484 HydrophobicContact CG2-CG 4.47Å; T387-L485 WeakPolarHBondContact O-CD1 3.44Å
388	L	97.7	Very high	94.2	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-70.9	-47	177.4	-50.7	-174.6	0	0	0	111.1	P385 W386 V390 A391 V392 T409 L412 K413 L423 L485	P385-L388 WeakPolarHBondContact O-CB 3.33Å; P385-L388 PolarHBondContact O-N 3.38Å; P385-L388 VanDerWaalsContact O-N 3.09Å; W386-L388 VanDerWaalsContact C-N 3.27Å; W386-L388 PolarHBondContact O-N 2.99Å; L388-V390 VanDerWaalsContact C-N 3.33Å; L388-V390 PolarHBondContact O-N 3.31Å; L388-A391 PolarHBondContact O-N 3.16Å; L388-V392 WeakPolarHBondContact O-CG2 3.23Å; L388-V392 PolarHBondContact O-N 3.41Å; L388-V392 VanDerWaalsContact O-N 3.07Å; L388-T409 HydrophobicContact CB-CG2 4.05Å; L388-L412 HydrophobicContact CB-CD2 4.01Å; L388-L412 HydrophobicContact CB-CG 4.41Å; L388-L412 HydrophobicContact CD2-CD2 4.18Å; L388-L412 HydrophobicContact CD2-CG 4.09Å; L388-K413 HydrophobicContact CD1-CB 3.79Å; L388-L423 HydrophobicContact CD1-CD1 3.7Å; L388-L423 HydrophobicContact CD1-CD2 3.78Å; L388-L423 HydrophobicContact CD1-CG 4.43Å; L388-L423 HydrophobicContact CD2-CD1 4.36Å; L388-L423 HydrophobicContact CG-CD1 4.02Å; L388-L485 HydrophobicContact CD2-CD1 3.88Å; L388-L485 HydrophobicContact CD2-CD2 3.59Å; L388-L485 HydrophobicContact CD2-CG 4.39Å
389	I	97.7	Very high	94.2	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-56.3	-48.6	179.5	-67.3	163.9	0	0	0	110.3	P385 W386 A391 V392 L393 L405 T409 V435	P385-I389 WeakPolarHBondContact O-CG1 3.44Å; P385-I389 PolarHBondContact O-N 3.43Å; P385-I389 VanDerWaalsContact O-N 3.09Å; W386-I389 HydrophobicContact CE3-CB 4.28Å; W386-I389 HydrophobicContact CE3-CD1 4.44Å; W386-I389 HydrophobicContact CE3-CG2 4.1Å; W386-I389 HydrophobicContact CZ3-CG2 4.03Å; W386-I389 PolarHBondContact O-N 3.48Å; I389-A391 PolarHBondContact O-N 2.72Å; I389-V392 PolarHBondContact O-N 3.01Å; I389-L393 HydrophobicContact CG2-CD1 3.82Å; I389-L393 HydrophobicContact CG2-CG 4.32Å; I389-L393 WeakPolarHBondContact O-CG 3.46Å; I389-L393 PolarHBondContact O-N 3.18Å; I389-L405 HydrophobicContact CG2-CD1 4.29Å; I389-L405 HydrophobicContact CG2-CD2 4.08Å; I389-T409 HydrophobicContact CG1-CG2 3.78Å; I389-V435 HydrophobicContact CD1-CB 4.15Å; I389-V435 HydrophobicContact CD1-CG1 3.97Å; I389-V435 HydrophobicContact CD1-CG2 3.99Å; I389-V435 HydrophobicContact CG1-CG1 4.36Å; I389-V435 HydrophobicContact CG1-CG2 4.29Å
390	V	96.9	Very high	94.3	Very high	1 Å²	1	20.4 Å²	20.4	1%	0.006	11%	0.11	C	C	.	.	H	α-helix	trans	-65.3	-38.6	179.9	172.5	0	0	0	0	112.2	W386 L388 V392 L393 L394 C478	W386-V390 HydrophobicContact CD2-CG2 3.67Å; W386-V390 HydrophobicContact CE3-CG2 4.17Å; W386-V390 HydrophobicContact CG-CG2 4.24Å; W386-V390 HydrophobicContact CH2-CG2 3.85Å; W386-V390 HydrophobicContact CZ2-CG2 3.29Å; W386-V390 HydrophobicContact CZ3-CG2 4.25Å; W386-V390 WeakPolarHBondContact O-CG2 3.37Å; W386-V390 PolarHBondContact O-N 3.07Å; L388-V390 VanDerWaalsContact C-N 3.33Å; L388-V390 PolarHBondContact O-N 3.31Å; V390-V392 VanDerWaalsContact C-N 3.3Å; V390-V392 PolarHBondContact O-N 3.47Å; V390-L393 PolarHBondContact O-N 3.23Å; V390-L394 HydrophobicContact CG1-CD1 3.99Å; V390-L394 HydrophobicContact CG1-CG 4.18Å; V390-L394 WeakPolarHBondContact O-CB 3.3Å; V390-L394 WeakPolarHBondContact O-CG 3.4Å; V390-L394 PolarHBondContact O-N 2.89Å; V390-C478 HydrophobicContact CG1-CB 3.61Å; V390-C478 WeakPolarHBondContact CG1-O 3.46Å
391	A	97.1	Very high	94.6	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-61.7	-40.1	176.5	0	0	0	0	0	111.8	T387 L388 I389 Q395 L412 R482 L485	T387-A391 PolarHBondContact O-N 2.82Å; L388-A391 PolarHBondContact O-N 3.16Å; I389-A391 PolarHBondContact O-N 2.72Å; A391-Q395 PolarHBondContact O-N 3.04Å; A391-L412 HydrophobicContact CB-CD2 4.16Å; A391-R482 HydrophobicContact CB-CG 4.2Å; A391-L485 HydrophobicContact CB-CD1 3.71Å
392	V	97.3	Very high	94.7	Very high	5 Å²	5	23.4 Å²	23.4	3%	0.03	13%	0.125	C	C	.	.	H	α-helix	trans	-66.4	-49.2	173.7	176.6	0	0	0	0	110.9	L388 I389 V390 L394 Q395 N396 M400 L405 K408 L412	L388-V392 WeakPolarHBondContact O-CG2 3.23Å; L388-V392 PolarHBondContact O-N 3.41Å; L388-V392 VanDerWaalsContact O-N 3.07Å; I389-V392 PolarHBondContact O-N 3.01Å; V390-V392 VanDerWaalsContact C-N 3.3Å; V390-V392 PolarHBondContact O-N 3.47Å; V392-L394 VanDerWaalsContact C-N 3.33Å; V392-L394 PolarHBondContact O-N 3.46Å; V392-Q395 PolarHBondContact O-N 3.1Å; V392-Q395 VanDerWaalsContact O-N 3.16Å; V392-N396 PolarHBondContact O-N 2.94Å; V392-N396 VanDerWaalsContact O-N 3.16Å; V392-N396 PolarHBondContact O-ND2 3.21Å; V392-M400 HydrophobicContact CG1-CE 4.26Å; V392-M400 HydrophobicContact CG1-SD 3.68Å; V392-L405 HydrophobicContact CB-CD1 4.02Å; V392-L405 HydrophobicContact CG1-CD1 3.71Å; V392-K408 HydrophobicContact CG1-CB 3.79Å; V392-K408 HydrophobicContact CG1-CD 3.98Å; V392-K408 HydrophobicContact CG2-CB 4.15Å; V392-L412 HydrophobicContact CG2-CD2 4.03Å
393	L	95.8	Very high	94.9	Very high	3 Å²	3	28.7 Å²	28.7	2%	0.016	15%	0.154	C	C	.	.	H	α-helix	trans	-59.4	-40.6	-179.8	-72.3	173.6	0	0	0	112.5	I389 V390 Q395 N396 R397 M400 L405 V453 L455	I389-L393 HydrophobicContact CG2-CD1 3.82Å; I389-L393 HydrophobicContact CG2-CG 4.32Å; I389-L393 WeakPolarHBondContact O-CG 3.46Å; I389-L393 PolarHBondContact O-N 3.18Å; V390-L393 PolarHBondContact O-N 3.23Å; L393-Q395 VanDerWaalsContact C-N 3.28Å; L393-Q395 PolarHBondContact O-N 3.1Å; L393-N396 CarbonylContact O-C 3.59Å; L393-N396 PolarHBondContact O-N 3.17Å; L393-N396 VanDerWaalsContact O-N 3.1Å; L393-R397 VanDerWaalsContact O-CG 3.29Å; L393-R397 WeakPolarHBondContact O-CG 3.42Å; L393-R397 PolarHBondContact O-N 3.31Å; L393-R397 VanDerWaalsContact O-N 3.14Å; L393-M400 HydrophobicContact CD2-CB 4.07Å; L393-L405 HydrophobicContact CD2-CD1 3.93Å; L393-L405 HydrophobicContact CD2-CD2 4.09Å; L393-L405 HydrophobicContact CG-CD1 3.97Å; L393-L405 HydrophobicContact CG-CD2 4.45Å; L393-V453 HydrophobicContact CD1-CG1 4.07Å; L393-V453 HydrophobicContact CD2-CB 4.32Å; L393-V453 HydrophobicContact CD2-CG1 3.97Å; L393-L455 HydrophobicContact CB-CD2 4.36Å; L393-L455 HydrophobicContact CD1-CD2 4.03Å
394	L	94.6	Very high	95	Very high	24 Å²	24	30.2 Å²	30.2	13%	0.126	17%	0.166	C	C	.	.	H	α-helix	trans	-63.3	-31.5	178.5	-79.9	177	0	0	0	113.4	V390 V392 R397 L475 C478 R482	V390-L394 HydrophobicContact CG1-CD1 3.99Å; V390-L394 HydrophobicContact CG1-CG 4.18Å; V390-L394 WeakPolarHBondContact O-CB 3.3Å; V390-L394 WeakPolarHBondContact O-CG 3.4Å; V390-L394 PolarHBondContact O-N 2.89Å; V392-L394 VanDerWaalsContact C-N 3.33Å; V392-L394 PolarHBondContact O-N 3.46Å; L394-R397 PolarHBondContact O-NE 3.08Å; L394-L475 HydrophobicContact CD2-CD2 4.13Å; L394-C478 HydrophobicContact CD1-CB 3.93Å; L394-C478 HydrophobicContact CD2-CB 3.66Å; L394-C478 HydrophobicContact CG-CB 3.91Å; L394-R482 HydrophobicContact CD1-CB 3.84Å; L394-R482 HydrophobicContact CD1-CG 4.24Å
395	Q	94.1	Very high	95.2	Very high	70 Å²	70	29.8 Å²	29.8	33%	0.327	16%	0.163	S	C	.	.	H	α-helix	trans	-83.5	-14.7	175.3	-66.7	-171.7	13.9	0	0	113.3	A391 V392 L393 F568 L572	A391-Q395 PolarHBondContact O-N 3.04Å; V392-Q395 PolarHBondContact O-N 3.1Å; V392-Q395 VanDerWaalsContact O-N 3.16Å; L393-Q395 VanDerWaalsContact C-N 3.28Å; L393-Q395 PolarHBondContact O-N 3.1Å; Q395-F568 PolarHBondContact NE2-O 3.32Å; Q395-L572 VanDerWaalsContact NE2-N 3.14Å
396	N	92.8	Very high	95.3	Very high	48 Å²	48	29.4 Å²	29.4	26%	0.257	16%	0.161	S	C	.	.	S	Bend	trans	-124.3	36	-176.2	-60.1	-100.1	0	0	0	111.4	V392 L393 S399 M400 K408	V392-N396 PolarHBondContact O-N 2.94Å; V392-N396 VanDerWaalsContact O-N 3.16Å; V392-N396 PolarHBondContact O-ND2 3.21Å; L393-N396 CarbonylContact O-C 3.59Å; L393-N396 PolarHBondContact O-N 3.17Å; L393-N396 VanDerWaalsContact O-N 3.1Å; N396-S399 VanDerWaalsContact O-O 3.1Å; N396-M400 HydrophobicContact CB-CE 4.17Å; N396-M400 HydrophobicContact CB-SD 3.89Å; N396-K408 PolarHBondContact OD1-NZ 3.04Å
397	R	87.9	Confident	95.4	Very high	84 Å²	84	36.2 Å²	36.2	32%	0.317	19%	0.192	S	C	.	.			trans	-65.3	153.2	179.2	-69	-173.7	-65.9	143.3	-1.2	112.1	L393 L394 L455 Q618	L393-R397 VanDerWaalsContact O-CG 3.29Å; L393-R397 WeakPolarHBondContact O-CG 3.42Å; L393-R397 PolarHBondContact O-N 3.31Å; L393-R397 VanDerWaalsContact O-N 3.14Å; L394-R397 PolarHBondContact O-NE 3.08Å; R397-L455 HydrophobicContact CG-CD1 3.9Å; R397-Q618 PolarHBondContact NH2-O 3.24Å
398	P	85.1	Confident	95.4	Very high	83 Å²	83	40.2 Å²	40.2	54%	0.539	21%	0.21	S	C	.	.	S	Bend	cis	-88.8	-15.5	1.6	34.9	-36.1	0	0	0	114.9	L455	P398-L455 PolarHBondContact O-N 3.2Å
399	S	90.6	Very high	95.4	Very high	49 Å²	49	40.2 Å²	40.2	34%	0.343	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	156.6	-176.9	65.6	0	0	0	0	111.8	N396 V453	N396-S399 VanDerWaalsContact O-O 3.1Å; S399-V453 CarbonylContact C-O 3.46Å; S399-V453 VanDerWaalsContact CA-O 3.24Å; S399-V453 WeakPolarHBondContact CA-O 3.38Å
400	M	94.8	Very high	95.4	Very high	16 Å²	16	43.5 Å²	43.5	8%	0.079	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	143.2	177.8	-170.5	162.1	-149.9	0	0	110.7	V392 L393 N396 A404 L405 K408 Q452 V453	V392-M400 HydrophobicContact CG1-CE 4.26Å; V392-M400 HydrophobicContact CG1-SD 3.68Å; L393-M400 HydrophobicContact CD2-CB 4.07Å; N396-M400 HydrophobicContact CB-CE 4.17Å; N396-M400 HydrophobicContact CB-SD 3.89Å; M400-A404 HydrophobicContact CE-CB 4.15Å; M400-L405 HydrophobicContact CG-CB 4.17Å; M400-L405 HydrophobicContact SD-CB 4.1Å; M400-L405 HydrophobicContact SD-CD1 3.98Å; M400-K408 HydrophobicContact CE-CD 3.49Å; M400-K408 VanDerWaalsContact CE-CD 3.49Å; M400-K408 VanDerWaalsContact CE-CE 3.4Å; M400-K408 HydrophobicContact CE-CG 4.26Å; M400-Q452 CarbonylContact O-C 3.52Å; M400-Q452 WeakPolarHBondContact O-CA 3.19Å; M400-V453 PolarHBondContact N-O 3.37Å; M400-V453 PolarHBondContact O-N 2.85Å
401	D	97.3	Very high	95.4	Very high	61 Å²	61	48 Å²	48	33%	0.326	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.7	137.2	168.5	-178.6	83.8	0	0	0	111.2	D403 A404 L405 Q452	D401-D403 PolarHBondContact O-N 2.95Å; D401-D403 PolarHBondContact OD2-N 3.42Å; D401-D403 VanDerWaalsContact OD2-N 3.12Å; D401-A404 HydrophobicContact CB-CB 4.05Å; D401-A404 PolarHBondContact O-N 2.85Å; D401-A404 PolarHBondContact OD2-N 3.05Å; D401-L405 WeakPolarHBondContact O-CB 3.4Å; D401-L405 PolarHBondContact O-N 3.31Å; D401-Q452 PolarHBondContact OD1-NE2 2.73Å
402	F	97.6	Very high	95.4	Very high	20 Å²	20	48 Å²	48	9%	0.088	24%	0.244	C	C	.	.	H	α-helix	trans	-63	-43.5	-173.5	-179.7	-101.7	0	0	0	112.3	L405 V406 E432 V435 Q436 I439 L448 D451 V453	F402-L405 WeakPolarHBondContact O-CB 3.44Å; F402-L405 PolarHBondContact O-N 3.22Å; F402-V406 HydrophobicContact CD1-CG2 4.35Å; F402-V406 HydrophobicContact CE1-CG2 3.96Å; F402-V406 HydrophobicContact CE2-CG2 4.39Å; F402-V406 HydrophobicContact CZ-CG2 3.99Å; F402-V406 WeakPolarHBondContact O-CG2 3.45Å; F402-V406 PolarHBondContact O-N 3.34Å; F402-E432 HydrophobicContact CE1-CB 4.16Å; F402-E432 HydrophobicContact CE1-CG 4.46Å; F402-E432 HydrophobicContact CZ-CB 4.41Å; F402-V435 HydrophobicContact CE2-CG1 3.89Å; F402-V435 HydrophobicContact CZ-CG1 4.44Å; F402-Q436 HydrophobicContact CE2-CB 4.42Å; F402-Q436 HydrophobicContact CZ-CB 4.2Å; F402-I439 HydrophobicContact CD2-CD1 4.44Å; F402-I439 HydrophobicContact CE2-CD1 4.18Å; F402-L448 HydrophobicContact CB-CD1 3.87Å; F402-L448 HydrophobicContact CD2-CD1 3.86Å; F402-L448 HydrophobicContact CD2-CD2 4.06Å; F402-L448 HydrophobicContact CE2-CD2 4.23Å; F402-L448 HydrophobicContact CG-CD1 4.07Å; F402-L448 HydrophobicContact CG-CD2 4.48Å; F402-D451 WeakPolarHBondContact CB-O 3.05Å; F402-D451 PolarHBondContact N-O 3.5Å; F402-V453 HydrophobicContact CB-CG2 4.39Å; F402-V453 HydrophobicContact CD2-CG2 3.79Å
403	D	97.4	Very high	95.3	Very high	114 Å²	114	49.6 Å²	49.6	61%	0.61	25%	0.25	S	S	*	.	H	α-helix	trans	-67.3	-42	-179.2	-65.5	-22.3	0	0	0	110.3	D401 L405 V406 E407	D401-D403 PolarHBondContact O-N 2.95Å; D401-D403 PolarHBondContact OD2-N 3.42Å; D401-D403 VanDerWaalsContact OD2-N 3.12Å; D403-L405 VanDerWaalsContact C-N 3.31Å; D403-L405 PolarHBondContact O-N 2.85Å; D403-V406 PolarHBondContact O-N 3.42Å; D403-E407 PolarHBondContact O-N 3.28Å
404	A	97.6	Very high	95.3	Very high	32 Å²	32	51.1 Å²	51.1	26%	0.264	27%	0.267	S	S	.	.	H	α-helix	trans	-63	-35.8	174.3	0	0	0	0	0	112.7	M400 D401 K408	M400-A404 HydrophobicContact CE-CB 4.15Å; D401-A404 HydrophobicContact CB-CB 4.05Å; D401-A404 PolarHBondContact O-N 2.85Å; D401-A404 PolarHBondContact OD2-N 3.05Å; A404-K408 WeakPolarHBondContact O-CG 3.44Å; A404-K408 PolarHBondContact O-N 3.02Å
405	L	98	Very high	95.3	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-66	-43.7	175	178.4	65.1	0	0	0	111.2	I389 V392 L393 M400 D401 F402 D403 T409 V435 I439 V453	I389-L405 HydrophobicContact CG2-CD1 4.29Å; I389-L405 HydrophobicContact CG2-CD2 4.08Å; V392-L405 HydrophobicContact CB-CD1 4.02Å; V392-L405 HydrophobicContact CG1-CD1 3.71Å; L393-L405 HydrophobicContact CD2-CD1 3.93Å; L393-L405 HydrophobicContact CD2-CD2 4.09Å; L393-L405 HydrophobicContact CG-CD1 3.97Å; L393-L405 HydrophobicContact CG-CD2 4.45Å; M400-L405 HydrophobicContact CG-CB 4.17Å; M400-L405 HydrophobicContact SD-CB 4.1Å; M400-L405 HydrophobicContact SD-CD1 3.98Å; D401-L405 WeakPolarHBondContact O-CB 3.4Å; D401-L405 PolarHBondContact O-N 3.31Å; F402-L405 WeakPolarHBondContact O-CB 3.44Å; F402-L405 PolarHBondContact O-N 3.22Å; D403-L405 VanDerWaalsContact C-N 3.31Å; D403-L405 PolarHBondContact O-N 2.85Å; L405-T409 VanDerWaalsContact O-CB 3.23Å; L405-T409 WeakPolarHBondContact O-CB 3.4Å; L405-T409 PolarHBondContact O-N 3.11Å; L405-T409 PolarHBondContact O-OG1 3.42Å; L405-V435 HydrophobicContact CD2-CG1 4.19Å; L405-I439 HydrophobicContact CD2-CD1 4.32Å; L405-V453 HydrophobicContact CD2-CB 3.94Å; L405-V453 HydrophobicContact CD2-CG1 4.03Å; L405-V453 HydrophobicContact CD2-CG2 3.67Å
406	V	98	Very high	95.4	Very high	6 Å²	6	47.2 Å²	47.2	4%	0.036	25%	0.248	C	C	.	.	H	α-helix	trans	-60.4	-48.5	176.8	171.6	0	0	0	0	110.2	F402 D403 K408 T409 L410 A431 E432 V435	F402-V406 HydrophobicContact CD1-CG2 4.35Å; F402-V406 HydrophobicContact CE1-CG2 3.96Å; F402-V406 HydrophobicContact CE2-CG2 4.39Å; F402-V406 HydrophobicContact CZ-CG2 3.99Å; F402-V406 WeakPolarHBondContact O-CG2 3.45Å; F402-V406 PolarHBondContact O-N 3.34Å; D403-V406 PolarHBondContact O-N 3.42Å; V406-K408 PolarHBondContact O-N 3.04Å; V406-T409 PolarHBondContact O-N 2.96Å; V406-L410 HydrophobicContact CG1-CD1 4.24Å; V406-L410 WeakPolarHBondContact O-CG 3.49Å; V406-L410 PolarHBondContact O-N 3.25Å; V406-A431 HydrophobicContact CG1-CB 3.88Å; V406-E432 HydrophobicContact CG1-CG 4.3Å; V406-E432 HydrophobicContact CG2-CG 4.4Å; V406-V435 HydrophobicContact CG2-CB 4.02Å; V406-V435 HydrophobicContact CG2-CG1 4.09Å; V406-V435 HydrophobicContact CG2-CG2 4.04Å
407	E	97.8	Very high	95.4	Very high	144 Å²	144	48.9 Å²	48.9	67%	0.673	26%	0.255	S	S	*	.	H	α-helix	trans	-58.4	-51.2	178.8	-171.2	-170.8	162.9	0	0	111.9	D403 T409 L410 W411	D403-E407 PolarHBondContact O-N 3.28Å; E407-T409 VanDerWaalsContact C-N 3.3Å; E407-T409 PolarHBondContact O-N 3.16Å; E407-L410 PolarHBondContact O-N 3.36Å; E407-W411 PolarHBondContact O-N 2.91Å
408	K	97.5	Very high	95.6	Very high	84 Å²	84	46.3 Å²	46.3	37%	0.365	25%	0.251	S	S	.	.	H	α-helix	trans	-65.2	-34	179.2	-71.9	-163.4	-168	-173.5	0	112.5	V392 N396 M400 A404 V406 W411 L412	V392-K408 HydrophobicContact CG1-CB 3.79Å; V392-K408 HydrophobicContact CG1-CD 3.98Å; V392-K408 HydrophobicContact CG2-CB 4.15Å; N396-K408 PolarHBondContact OD1-NZ 3.04Å; M400-K408 HydrophobicContact CE-CD 3.49Å; M400-K408 VanDerWaalsContact CE-CD 3.49Å; M400-K408 VanDerWaalsContact CE-CE 3.4Å; M400-K408 HydrophobicContact CE-CG 4.26Å; A404-K408 WeakPolarHBondContact O-CG 3.44Å; A404-K408 PolarHBondContact O-N 3.02Å; V406-K408 PolarHBondContact O-N 3.04Å; K408-W411 PolarHBondContact O-N 3.39Å; K408-L412 WeakPolarHBondContact O-CB 3.28Å; K408-L412 PolarHBondContact O-N 3.49Å
409	T	97.7	Very high	96	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-65.9	-42.1	176.1	-60.5	0	0	0	0	110.9	L388 I389 L405 V406 E407 L412 K413 W425 V435	L388-T409 HydrophobicContact CB-CG2 4.05Å; I389-T409 HydrophobicContact CG1-CG2 3.78Å; L405-T409 VanDerWaalsContact O-CB 3.23Å; L405-T409 WeakPolarHBondContact O-CB 3.4Å; L405-T409 PolarHBondContact O-N 3.11Å; L405-T409 PolarHBondContact O-OG1 3.42Å; V406-T409 PolarHBondContact O-N 2.96Å; E407-T409 VanDerWaalsContact C-N 3.3Å; E407-T409 PolarHBondContact O-N 3.16Å; T409-L412 PolarHBondContact O-N 2.85Å; T409-K413 WeakPolarHBondContact O-CB 3.41Å; T409-K413 PolarHBondContact O-N 3.39Å; T409-W425 HydrophobicContact CG2-CH2 4.02Å; T409-W425 HydrophobicContact CG2-CZ3 4.15Å; T409-V435 HydrophobicContact CG2-CG2 4.29Å
410	L	97.1	Very high	96	Very high	70 Å²	70	41.7 Å²	41.7	37%	0.366	22%	0.223	S	C	.	.	H	α-helix	trans	-66	-40.7	175.6	-73.5	176.7	0	0	0	112.5	V406 E407 L412 K413 G414 W425 A431	V406-L410 HydrophobicContact CG1-CD1 4.24Å; V406-L410 WeakPolarHBondContact O-CG 3.49Å; V406-L410 PolarHBondContact O-N 3.25Å; E407-L410 PolarHBondContact O-N 3.36Å; L410-L412 VanDerWaalsContact C-N 3.35Å; L410-K413 HydrophobicContact CD2-CD 4.32Å; L410-K413 WeakPolarHBondContact O-CB 3.27Å; L410-K413 PolarHBondContact O-N 2.72Å; L410-G414 PolarHBondContact O-N 3.19Å; L410-W425 HydrophobicContact CD2-CH2 4.26Å; L410-W425 HydrophobicContact CD2-CZ2 3.95Å; L410-A431 HydrophobicContact CD1-CB 3.71Å; L410-A431 HydrophobicContact CD2-CB 3.76Å; L410-A431 HydrophobicContact CG-CB 3.96Å
411	W	96.7	Very high	95.9	Very high	96 Å²	96	41.2 Å²	41.2	36%	0.364	22%	0.222	S	C	.	.	H	α-helix	trans	-59.4	-47	172.5	173	83.3	0	0	0	111.4	E407 K408 K413 G414 L415 T564 V565 F568	E407-W411 PolarHBondContact O-N 2.91Å; K408-W411 PolarHBondContact O-N 3.39Å; W411-K413 VanDerWaalsContact C-N 3.34Å; W411-K413 PolarHBondContact O-N 2.87Å; W411-G414 PolarHBondContact O-N 3.32Å; W411-L415 HydrophobicContact CH2-CD2 3.85Å; W411-L415 HydrophobicContact CZ2-CD2 4.17Å; W411-L415 HydrophobicContact CZ3-CD2 4.31Å; W411-L415 PolarHBondContact O-N 2.93Å; W411-T564 HydrophobicContact CZ2-CG2 4.12Å; W411-V565 HydrophobicContact CZ2-CG2 3.94Å; W411-F568 HydrophobicContact CH2-CB 3.67Å; W411-F568 HydrophobicContact CH2-CD1 4.22Å; W411-F568 AromaticContact CH2-CG 3.89Å; W411-F568 HydrophobicContact CH2-CG 3.89Å; W411-F568 HydrophobicContact CZ3-CB 3.97Å; W411-F568 HydrophobicContact CZ3-CD1 4.16Å; W411-F568 HydrophobicContact CZ3-CD2 4.03Å; W411-F568 AromaticContact CZ3-CG 3.76Å; W411-F568 HydrophobicContact CZ3-CG 3.76Å
412	L	97.1	Very high	95.6	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-66.6	-35.3	179	-177.7	56.2	0	0	0	112.1	L388 A391 V392 K408 T409 L410 L415 T416 F489 F568	L388-L412 HydrophobicContact CB-CD2 4.01Å; L388-L412 HydrophobicContact CB-CG 4.41Å; L388-L412 HydrophobicContact CD2-CD2 4.18Å; L388-L412 HydrophobicContact CD2-CG 4.09Å; A391-L412 HydrophobicContact CB-CD2 4.16Å; V392-L412 HydrophobicContact CG2-CD2 4.03Å; K408-L412 WeakPolarHBondContact O-CB 3.28Å; K408-L412 PolarHBondContact O-N 3.49Å; T409-L412 PolarHBondContact O-N 2.85Å; L410-L412 VanDerWaalsContact C-N 3.35Å; L412-L415 HydrophobicContact CD1-CD2 4.42Å; L412-L415 PolarHBondContact O-N 3.48Å; L412-T416 VanDerWaalsContact O-CB 3.28Å; L412-T416 WeakPolarHBondContact O-CB 3.29Å; L412-T416 PolarHBondContact O-N 3.07Å; L412-T416 PolarHBondContact O-OG1 3.46Å; L412-F489 HydrophobicContact CD1-CE2 4.41Å; L412-F489 HydrophobicContact CD1-CZ 3.85Å; L412-F568 HydrophobicContact CD1-CD1 4.21Å; L412-F568 HydrophobicContact CD1-CE1 3.35Å; L412-F568 HydrophobicContact CD1-CE2 4.12Å; L412-F568 HydrophobicContact CD1-CZ 3.3Å; L412-F568 HydrophobicContact CD2-CE2 4Å; L412-F568 HydrophobicContact CD2-CZ 3.61Å; L412-F568 HydrophobicContact CG-CZ 4.09Å
413	K	96.1	Very high	95.3	Very high	38 Å²	38	38.5 Å²	38.5	17%	0.165	21%	0.208	C	C	.	.	H	α-helix	trans	-55	-51	169.7	161.9	175.9	-176.9	-171.6	0	110.8	L388 T409 L410 W411 L415 T416 Q417 L423 W425	L388-K413 HydrophobicContact CD1-CB 3.79Å; T409-K413 WeakPolarHBondContact O-CB 3.41Å; T409-K413 PolarHBondContact O-N 3.39Å; L410-K413 HydrophobicContact CD2-CD 4.32Å; L410-K413 WeakPolarHBondContact O-CB 3.27Å; L410-K413 PolarHBondContact O-N 2.72Å; W411-K413 VanDerWaalsContact C-N 3.34Å; W411-K413 PolarHBondContact O-N 2.87Å; K413-L415 PolarHBondContact O-N 3.28Å; K413-T416 PolarHBondContact O-N 3.45Å; K413-Q417 WeakPolarHBondContact O-CG 3.33Å; K413-Q417 PolarHBondContact O-N 3.35Å; K413-L423 HydrophobicContact CB-CD2 3.91Å; K413-L423 HydrophobicContact CD-CD2 3.81Å; K413-L423 HydrophobicContact CG-CD2 3.49Å; K413-L423 VanDerWaalsContact CG-CD2 3.49Å; K413-W425 HydrophobicContact CD-CD2 3.82Å; K413-W425 HydrophobicContact CD-CE3 3.76Å; K413-W425 HydrophobicContact CD-CG 4.2Å; K413-W425 HydrophobicContact CD-CZ3 4.2Å
414	G	94.8	Very high	94.8	Very high	35 Å²	35	35.4 Å²	35.4	36%	0.361	19%	0.191	S	C	.	.	H	α-helix	trans	-60.1	-44.2	177.7	0	0	0	0	0	112.7	L410 W411 T416 Q417 A418	L410-G414 PolarHBondContact O-N 3.19Å; W411-G414 PolarHBondContact O-N 3.32Å; G414-T416 PolarHBondContact O-N 3.15Å; G414-Q417 PolarHBondContact O-N 2.94Å; G414-A418 WeakPolarHBondContact O-CB 3.36Å; G414-A418 PolarHBondContact O-N 3.07Å
415	L	95.8	Very high	94.4	Very high	11 Å²	11	35 Å²	35	6%	0.058	18%	0.183	C	C	.	.	H	α-helix	trans	-64	-41.1	177.4	-172.5	65.5	0	0	0	112.2	W411 L412 K413 A418 F419 F489 V565 F568	W411-L415 HydrophobicContact CH2-CD2 3.85Å; W411-L415 HydrophobicContact CZ2-CD2 4.17Å; W411-L415 HydrophobicContact CZ3-CD2 4.31Å; W411-L415 PolarHBondContact O-N 2.93Å; L412-L415 HydrophobicContact CD1-CD2 4.42Å; L412-L415 PolarHBondContact O-N 3.48Å; K413-L415 PolarHBondContact O-N 3.28Å; L415-A418 WeakPolarHBondContact O-CB 3.4Å; L415-A418 PolarHBondContact O-N 2.82Å; L415-F419 HydrophobicContact CD1-CD1 4.43Å; L415-F419 HydrophobicContact CD1-CE1 3.84Å; L415-F419 HydrophobicContact CD1-CE2 4.23Å; L415-F419 HydrophobicContact CD1-CZ 3.72Å; L415-F419 HydrophobicContact CG-CE2 4.33Å; L415-F419 HydrophobicContact CG-CZ 4.31Å; L415-F419 PolarHBondContact O-N 3.11Å; L415-F489 HydrophobicContact CD2-CE1 3.96Å; L415-F489 HydrophobicContact CG-CE1 4.02Å; L415-V565 HydrophobicContact CD1-CG1 4.17Å; L415-V565 HydrophobicContact CD1-CG2 4.42Å; L415-V565 HydrophobicContact CD2-CG1 4.28Å; L415-F568 HydrophobicContact CD2-CD1 4.24Å
416	T	95.4	Very high	93.7	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-63.2	-44.8	179	-58.5	0	0	0	0	110.7	L383 L412 K413 G414 F419 G420 G421 I488 F489	L383-T416 HydrophobicContact CD1-CG2 3.66Å; L412-T416 VanDerWaalsContact O-CB 3.28Å; L412-T416 WeakPolarHBondContact O-CB 3.29Å; L412-T416 PolarHBondContact O-N 3.07Å; L412-T416 PolarHBondContact O-OG1 3.46Å; K413-T416 PolarHBondContact O-N 3.45Å; G414-T416 PolarHBondContact O-N 3.15Å; T416-F419 CarbonylContact O-C 3.48Å; T416-F419 PolarHBondContact O-N 3.06Å; T416-G420 PolarHBondContact O-N 3.17Å; T416-G421 PolarHBondContact O-N 2.72Å; T416-I488 HydrophobicContact CG2-CD1 4.35Å; T416-F489 WeakPolarHBondContact OG1-CZ 3.14Å
417	Q	93.1	Very high	92.4	Very high	84 Å²	84	44.5 Å²	44.5	39%	0.393	24%	0.236	S	C	.	.	H	α-helix	trans	-64.9	-40.5	175	-70.2	176	-40.6	0	0	111.9	K413 G414 F419 G420	K413-Q417 WeakPolarHBondContact O-CG 3.33Å; K413-Q417 PolarHBondContact O-N 3.35Å; G414-Q417 PolarHBondContact O-N 2.94Å; Q417-F419 PolarHBondContact O-N 3.16Å; Q417-G420 PolarHBondContact O-N 3.34Å
418	A	92.2	Very high	91.5	Very high	29 Å²	29	45.2 Å²	45.2	24%	0.24	24%	0.244	C	C	.	.	H	α-helix	trans	-59.9	-36.1	176.1	0	0	0	0	0	112	G414 L415 G420 K545	G414-A418 WeakPolarHBondContact O-CB 3.36Å; G414-A418 PolarHBondContact O-N 3.07Å; L415-A418 WeakPolarHBondContact O-CB 3.4Å; L415-A418 PolarHBondContact O-N 2.82Å; A418-G420 VanDerWaalsContact C-N 3.26Å; A418-G420 PolarHBondContact O-N 3.13Å; A418-K545 PolarHBondContact O-NZ 2.86Å
419	F	93.6	Very high	91.1	Very high	12 Å²	12	45.8 Å²	45.8	5%	0.053	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	2	176.9	-69.2	5.1	0	0	0	113.9	L415 T416 Q417 I488 F489 P492 L542 L543 L569	L415-F419 HydrophobicContact CD1-CD1 4.43Å; L415-F419 HydrophobicContact CD1-CE1 3.84Å; L415-F419 HydrophobicContact CD1-CE2 4.23Å; L415-F419 HydrophobicContact CD1-CZ 3.72Å; L415-F419 HydrophobicContact CG-CE2 4.33Å; L415-F419 HydrophobicContact CG-CZ 4.31Å; L415-F419 PolarHBondContact O-N 3.11Å; T416-F419 CarbonylContact O-C 3.48Å; T416-F419 PolarHBondContact O-N 3.06Å; Q417-F419 PolarHBondContact O-N 3.16Å; F419-I488 HydrophobicContact CB-CG2 3.86Å; F419-F489 AromaticContact CD2-CD1 3.46Å; F419-F489 HydrophobicContact CD2-CD1 3.46Å; F419-F489 VanDerWaalsContact CD2-CD1 3.46Å; F419-F489 AromaticContact CD2-CE1 3.44Å; F419-F489 HydrophobicContact CD2-CE1 3.44Å; F419-F489 VanDerWaalsContact CD2-CE1 3.44Å; F419-F489 AromaticContact CE2-CD1 3.67Å; F419-F489 HydrophobicContact CE2-CD1 3.67Å; F419-F489 AromaticContact CE2-CE1 3.76Å; F419-F489 HydrophobicContact CE2-CE1 3.76Å; F419-F489 HydrophobicContact CG-CE1 4.42Å; F419-P492 HydrophobicContact CD2-CG 3.74Å; F419-P492 HydrophobicContact CE2-CB 3.81Å; F419-P492 HydrophobicContact CE2-CG 3.46Å; F419-P492 VanDerWaalsContact CE2-CG 3.46Å; F419-P492 HydrophobicContact CZ-CB 4.14Å; F419-P492 HydrophobicContact CZ-CG 4.24Å; F419-L542 HydrophobicContact CB-CD1 4.4Å; F419-L542 HydrophobicContact CD1-CB 3.93Å; F419-L542 HydrophobicContact CD1-CD2 4.33Å; F419-L542 HydrophobicContact CE1-CB 3.97Å; F419-L542 VanDerWaalsContact CE1-O 3.32Å; F419-L542 WeakPolarHBondContact CE1-O 3.47Å; F419-L542 HydrophobicContact CG-CB 4.39Å; F419-L542 HydrophobicContact CG-CD1 4.37Å; F419-L542 HydrophobicContact CZ-CB 4.45Å; F419-L543 HydrophobicContact CZ-CD2 4.26Å; F419-L569 HydrophobicContact CE2-CD1 4.41Å; F419-L569 HydrophobicContact CE2-CD2 4.15Å
420	G	90.8	Very high	90.9	Very high	24 Å²	24	48.7 Å²	48.7	25%	0.247	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	83.8	18	174.3	0	0	0	0	0	114.5	T416 Q417 A418	T416-G420 PolarHBondContact O-N 3.17Å; Q417-G420 PolarHBondContact O-N 3.34Å; A418-G420 VanDerWaalsContact C-N 3.26Å; A418-G420 PolarHBondContact O-N 3.13Å
421	G	92.4	Very high	90.8	Very high	5 Å²	5	46 Å²	46	5%	0.052	26%	0.255	C	S	.	.			trans	-70.4	141.5	169.8	0	0	0	0	0	111.7	T416	T416-G421 PolarHBondContact O-N 2.72Å
422	F	91	Very high	90.8	Very high	10 Å²	10	45.7 Å²	45.7	4%	0.044	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	108.4	174.8	-167	-174.8	0	0	0	110.3	W32 F35 Y327 V382 L383 I424	W32-F422 HydrophobicContact CB-CD2 4.47Å; W32-F422 HydrophobicContact CB-CE2 3.58Å; W32-F422 HydrophobicContact CB-CZ 3.6Å; W32-F422 HydrophobicContact CD2-CB 4.47Å; W32-F422 HydrophobicContact CD2-CD1 4.12Å; W32-F422 AromaticContact CD2-CD2 3.32Å; W32-F422 HydrophobicContact CD2-CD2 3.32Å; W32-F422 HydrophobicContact CD2-CE1 4.12Å; W32-F422 AromaticContact CD2-CE2 3.35Å; W32-F422 HydrophobicContact CD2-CE2 3.35Å; W32-F422 AromaticContact CD2-CG 3.72Å; W32-F422 HydrophobicContact CD2-CG 3.72Å; W32-F422 AromaticContact CD2-CZ 3.74Å; W32-F422 HydrophobicContact CD2-CZ 3.74Å; W32-F422 AromaticContact CE2-CD2 3.6Å; W32-F422 HydrophobicContact CE3-CB 4.02Å; W32-F422 AromaticContact CE3-CD1 3.32Å; W32-F422 HydrophobicContact CE3-CD1 3.32Å; W32-F422 AromaticContact CE3-CD2 3.44Å; W32-F422 HydrophobicContact CE3-CD2 3.44Å; W32-F422 VanDerWaalsContact CE3-CD2 3.44Å; W32-F422 AromaticContact CE3-CE1 3.42Å; W32-F422 HydrophobicContact CE3-CE1 3.42Å; W32-F422 VanDerWaalsContact CE3-CE1 3.42Å; W32-F422 AromaticContact CE3-CE2 3.57Å; W32-F422 HydrophobicContact CE3-CE2 3.57Å; W32-F422 AromaticContact CE3-CG 3.31Å; W32-F422 HydrophobicContact CE3-CG 3.31Å; W32-F422 AromaticContact CE3-CZ 3.53Å; W32-F422 HydrophobicContact CE3-CZ 3.53Å; W32-F422 AromaticContact CG-CD2 3.81Å; W32-F422 HydrophobicContact CG-CD2 3.81Å; W32-F422 AromaticContact CG-CE2 3.37Å; W32-F422 HydrophobicContact CG-CE2 3.37Å; W32-F422 AromaticContact CG-CZ 3.8Å; W32-F422 HydrophobicContact CG-CZ 3.8Å; W32-F422 HydrophobicContact CH2-CB 3.33Å; W32-F422 HydrophobicContact CH2-CD1 4.18Å; W32-F422 HydrophobicContact CH2-CD2 4.08Å; W32-F422 AromaticContact CH2-CG 3.63Å; W32-F422 HydrophobicContact CH2-CG 3.63Å; W32-F422 HydrophobicContact CZ2-CB 3.82Å; W32-F422 AromaticContact CZ2-CD2 3.97Å; W32-F422 HydrophobicContact CZ2-CD2 3.97Å; W32-F422 AromaticContact CZ2-CG 3.99Å; W32-F422 HydrophobicContact CZ2-CG 3.99Å; W32-F422 HydrophobicContact CZ3-CB 3.43Å; W32-F422 VanDerWaalsContact CZ3-CB 3.43Å; W32-F422 AromaticContact CZ3-CD1 3.36Å; W32-F422 HydrophobicContact CZ3-CD1 3.36Å; W32-F422 AromaticContact CZ3-CD2 3.82Å; W32-F422 HydrophobicContact CZ3-CD2 3.82Å; W32-F422 AromaticContact CZ3-CE1 3.96Å; W32-F422 HydrophobicContact CZ3-CE1 3.96Å; W32-F422 HydrophobicContact CZ3-CE2 4.38Å; W32-F422 AromaticContact CZ3-CG 3.26Å; W32-F422 HydrophobicContact CZ3-CG 3.26Å; W32-F422 HydrophobicContact CZ3-CZ 4.41Å; F35-F422 HydrophobicContact CD2-CZ 4.38Å; F35-F422 AromaticContact CE2-CE1 3.56Å; F35-F422 HydrophobicContact CE2-CE1 3.56Å; F35-F422 AromaticContact CE2-CZ 3.51Å; F35-F422 HydrophobicContact CE2-CZ 3.51Å; F35-F422 AromaticContact CZ-CE1 3.96Å; F35-F422 HydrophobicContact CZ-CE1 3.96Å; F35-F422 HydrophobicContact CZ-CZ 4.36Å; Y327-F422 AromaticContact CD2-CE1 3.99Å; Y327-F422 HydrophobicContact CD2-CE1 3.99Å; Y327-F422 HydrophobicContact CE2-CE1 4.13Å; V382-F422 HydrophobicContact CG2-CD1 3.6Å; V382-F422 HydrophobicContact CG2-CE1 3.75Å; V382-F422 HydrophobicContact CG2-CG 4.39Å; L383-F422 WeakPolarHBondContact CB-O 3.49Å; L383-F422 WeakPolarHBondContact CG-O 3.25Å; L383-F422 PolarHBondContact N-O 3.26Å; F422-I424 HydrophobicContact CE2-CG1 4.43Å
423	L	90.6	Very high	90.7	Very high	14 Å²	14	51 Å²	51	7%	0.073	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	131.2	177	-170.3	81.3	0	0	0	109.8	L383 L388 K413 W425	L383-L423 HydrophobicContact CB-CD1 3.76Å; L383-L423 WeakPolarHBondContact O-CD1 3.35Å; L388-L423 HydrophobicContact CD1-CD1 3.7Å; L388-L423 HydrophobicContact CD1-CD2 3.78Å; L388-L423 HydrophobicContact CD1-CG 4.43Å; L388-L423 HydrophobicContact CD2-CD1 4.36Å; L388-L423 HydrophobicContact CG-CD1 4.02Å; K413-L423 HydrophobicContact CB-CD2 3.91Å; K413-L423 HydrophobicContact CD-CD2 3.81Å; K413-L423 HydrophobicContact CG-CD2 3.49Å; K413-L423 VanDerWaalsContact CG-CD2 3.49Å; L423-W425 HydrophobicContact CD2-CB 4.44Å; L423-W425 HydrophobicContact CD2-CE3 3.87Å
424	I	88	Confident	90.7	Very high	50 Å²	50	49.4 Å²	49.4	26%	0.256	28%	0.276	S	S	.	.			trans	-92.9	120.4	165	-72.3	177.7	0	0	0	108.2	F35 H325 V382 L383 P385 F422	F35-I424 HydrophobicContact CD2-CD1 4.08Å; F35-I424 HydrophobicContact CE2-CD1 3.95Å; H325-I424 WeakPolarHBondContact CD2-CD1 3.39Å; H325-I424 VanDerWaalsContact NE2-CD1 3.29Å; H325-I424 WeakPolarHBondContact NE2-CD1 3.36Å; V382-I424 HydrophobicContact CG1-CB 4.17Å; V382-I424 HydrophobicContact CG1-CD1 3.39Å; V382-I424 HydrophobicContact CG1-CG1 3.64Å; L383-I424 PolarHBondContact O-N 3.49Å; L383-I424 VanDerWaalsContact O-N 3.1Å; P385-I424 WeakPolarHBondContact CD-O 2.93Å; F422-I424 HydrophobicContact CE2-CG1 4.43Å
425	W	88.4	Confident	90.8	Very high	23 Å²	23	47.8 Å²	47.8	9%	0.087	26%	0.259	C	S	.	.			trans	-131.1	129	175.1	-166	-78.7	0	0	0	107.6	P385 T409 L410 K413 L423 D427 A431 V434 V435	P385-W425 HydrophobicContact CB-CE3 3.95Å; P385-W425 HydrophobicContact CB-CH2 4.4Å; P385-W425 HydrophobicContact CB-CZ3 3.66Å; P385-W425 HydrophobicContact CG-CD2 4.47Å; P385-W425 HydrophobicContact CG-CE3 3.77Å; P385-W425 HydrophobicContact CG-CZ3 4.03Å; T409-W425 HydrophobicContact CG2-CH2 4.02Å; T409-W425 HydrophobicContact CG2-CZ3 4.15Å; L410-W425 HydrophobicContact CD2-CH2 4.26Å; L410-W425 HydrophobicContact CD2-CZ2 3.95Å; K413-W425 HydrophobicContact CD-CD2 3.82Å; K413-W425 HydrophobicContact CD-CE3 3.76Å; K413-W425 HydrophobicContact CD-CG 4.2Å; K413-W425 HydrophobicContact CD-CZ3 4.2Å; L423-W425 HydrophobicContact CD2-CB 4.44Å; L423-W425 HydrophobicContact CD2-CE3 3.87Å; W425-D427 PolarHBondContact O-N 2.95Å; W425-D427 VanDerWaalsContact O-N 3.14Å; W425-A431 HydrophobicContact CZ2-CB 3.99Å; W425-V434 HydrophobicContact CD2-CG1 4.16Å; W425-V434 HydrophobicContact CE3-CG1 4.33Å; W425-V434 HydrophobicContact CH2-CB 4.47Å; W425-V434 HydrophobicContact CH2-CG1 4.03Å; W425-V434 HydrophobicContact CZ2-CB 3.88Å; W425-V434 HydrophobicContact CZ2-CG1 3.8Å; W425-V434 HydrophobicContact CZ2-CG2 4.37Å; W425-V434 HydrophobicContact CZ3-CG1 4.3Å; W425-V435 HydrophobicContact CH2-CG2 4.37Å
426	P	84.1	Confident	90.8	Very high	47 Å²	47	51.6 Å²	51.6	31%	0.305	28%	0.276	S	S	.	.			trans	-59.7	117.5	178.3	-22.7	33.2	0	0	0	111.1	N428 E429 V434	P426-N428 PolarHBondContact O-N 3.04Å; P426-E429 HydrophobicContact CB-CB 4.02Å; P426-E429 HydrophobicContact CB-CG 3.87Å; P426-E429 PolarHBondContact O-N 2.65Å; P426-V434 HydrophobicContact CB-CG2 4.43Å; P426-V434 HydrophobicContact CG-CG2 4.04Å
427	D	70.3	Confident	90.8	Very high	158 Å²	158	54 Å²	54	85%	0.845	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-20.1	-172.3	-69.5	-42.8	0	0	0	114	W425	W425-D427 PolarHBondContact O-N 2.95Å; W425-D427 VanDerWaalsContact O-N 3.14Å
428	N	79.7	Confident	90.9	Very high	159 Å²	159	50.8 Å²	50.8	85%	0.85	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.8	5.7	-173.5	-65.7	-31.7	0	0	0	114.1	P426	P426-N428 PolarHBondContact O-N 3.04Å
429	E	87.9	Confident	91.1	Very high	96 Å²	96	49.7 Å²	49.7	45%	0.449	27%	0.273	S	S	.	.	S	Bend	trans	-108.6	136.6	-178.6	-62.4	-179.9	-170.1	0	0	110.8	P426 V434	P426-E429 HydrophobicContact CB-CB 4.02Å; P426-E429 HydrophobicContact CB-CG 3.87Å; P426-E429 PolarHBondContact O-N 2.65Å; E429-V434 HydrophobicContact CB-CG2 3.79Å
430	P	94.1	Very high	91.2	Very high	62 Å²	62	54.6 Å²	54.6	40%	0.403	30%	0.299	S	S	.	.			trans	-54.3	146.3	169.7	-23.1	33.1	0	0	0	111.6	E432 E433 V434	P430-E432 WeakPolarHBondContact CB-OE2 3.49Å; P430-E432 PolarHBondContact O-N 2.84Å; P430-E433 HydrophobicContact CB-CG 4.26Å; P430-E433 HydrophobicContact CG-CG 4.27Å; P430-E433 PolarHBondContact O-N 3.22Å; P430-E433 VanDerWaalsContact O-N 3.12Å; P430-V434 PolarHBondContact O-N 3.46Å
431	A	95.3	Very high	91.4	Very high	13 Å²	13	55 Å²	55	11%	0.107	30%	0.296	C	S	.	.	H	α-helix	trans	-62.6	-33.8	-175.6	0	0	0	0	0	112.4	V406 L410 W425 V434 V435	V406-A431 HydrophobicContact CG1-CB 3.88Å; L410-A431 HydrophobicContact CD1-CB 3.71Å; L410-A431 HydrophobicContact CD2-CB 3.76Å; L410-A431 HydrophobicContact CG-CB 3.96Å; W425-A431 HydrophobicContact CZ2-CB 3.99Å; A431-V434 PolarHBondContact O-N 3.26Å; A431-V435 VanDerWaalsContact O-CG2 3.29Å; A431-V435 WeakPolarHBondContact O-CG2 3.33Å; A431-V435 PolarHBondContact O-N 3.2Å
432	E	95.9	Very high	91.5	Very high	90 Å²	90	54.9 Å²	54.9	42%	0.421	29%	0.294	S	S	.	.	H	α-helix	trans	-60.2	-45.3	176.3	-59.5	76.9	-170.7	0	0	110.8	F402 V406 P430 V435 Q436	F402-E432 HydrophobicContact CE1-CB 4.16Å; F402-E432 HydrophobicContact CE1-CG 4.46Å; F402-E432 HydrophobicContact CZ-CB 4.41Å; V406-E432 HydrophobicContact CG1-CG 4.3Å; V406-E432 HydrophobicContact CG2-CG 4.4Å; P430-E432 WeakPolarHBondContact CB-OE2 3.49Å; P430-E432 PolarHBondContact O-N 2.84Å; E432-V435 PolarHBondContact O-N 2.83Å; E432-Q436 VanDerWaalsContact O-CB 3.25Å; E432-Q436 WeakPolarHBondContact O-CB 3.34Å; E432-Q436 PolarHBondContact O-N 2.77Å
433	E	95.9	Very high	91.5	Very high	111 Å²	111	57.3 Å²	57.3	52%	0.519	31%	0.312	S	S	.	.	H	α-helix	trans	-66.1	-42	178.6	-66.9	-176.2	-165.6	0	0	111.2	P430 Q436 A437	P430-E433 HydrophobicContact CB-CG 4.26Å; P430-E433 HydrophobicContact CG-CG 4.27Å; P430-E433 PolarHBondContact O-N 3.22Å; P430-E433 VanDerWaalsContact O-N 3.12Å; E433-Q436 PolarHBondContact O-N 2.82Å; E433-A437 VanDerWaalsContact O-CB 3.25Å; E433-A437 WeakPolarHBondContact O-CB 3.48Å; E433-A437 PolarHBondContact O-N 3.4Å
434	V	95.9	Very high	91.4	Very high	5 Å²	5	59.1 Å²	59.1	3%	0.03	32%	0.322	C	S	.	.	H	α-helix	trans	-63	-44.6	177.4	177.1	0	0	0	0	111.4	P385 W425 P426 E429 P430 A431 S438	P385-V434 HydrophobicContact CB-CG1 3.83Å; P385-V434 HydrophobicContact CG-CG1 3.62Å; W425-V434 HydrophobicContact CD2-CG1 4.16Å; W425-V434 HydrophobicContact CE3-CG1 4.33Å; W425-V434 HydrophobicContact CH2-CB 4.47Å; W425-V434 HydrophobicContact CH2-CG1 4.03Å; W425-V434 HydrophobicContact CZ2-CB 3.88Å; W425-V434 HydrophobicContact CZ2-CG1 3.8Å; W425-V434 HydrophobicContact CZ2-CG2 4.37Å; W425-V434 HydrophobicContact CZ3-CG1 4.3Å; P426-V434 HydrophobicContact CB-CG2 4.43Å; P426-V434 HydrophobicContact CG-CG2 4.04Å; E429-V434 HydrophobicContact CB-CG2 3.79Å; P430-V434 PolarHBondContact O-N 3.46Å; A431-V434 PolarHBondContact O-N 3.26Å; V434-S438 WeakPolarHBondContact O-CB 3.19Å; V434-S438 PolarHBondContact O-N 3.37Å; V434-S438 PolarHBondContact O-OG 3.08Å
435	V	96.8	Very high	91.6	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-65.9	-44.2	177.6	171.5	0	0	0	0	110.5	I389 F402 L405 V406 T409 W425 A431 E432 S438 I439	I389-V435 HydrophobicContact CD1-CB 4.15Å; I389-V435 HydrophobicContact CD1-CG1 3.97Å; I389-V435 HydrophobicContact CD1-CG2 3.99Å; I389-V435 HydrophobicContact CG1-CG1 4.36Å; I389-V435 HydrophobicContact CG1-CG2 4.29Å; F402-V435 HydrophobicContact CE2-CG1 3.89Å; F402-V435 HydrophobicContact CZ-CG1 4.44Å; L405-V435 HydrophobicContact CD2-CG1 4.19Å; V406-V435 HydrophobicContact CG2-CB 4.02Å; V406-V435 HydrophobicContact CG2-CG1 4.09Å; V406-V435 HydrophobicContact CG2-CG2 4.04Å; T409-V435 HydrophobicContact CG2-CG2 4.29Å; W425-V435 HydrophobicContact CH2-CG2 4.37Å; A431-V435 VanDerWaalsContact O-CG2 3.29Å; A431-V435 WeakPolarHBondContact O-CG2 3.33Å; A431-V435 PolarHBondContact O-N 3.2Å; E432-V435 PolarHBondContact O-N 2.83Å; V435-S438 WeakPolarHBondContact O-CB 3.35Å; V435-S438 PolarHBondContact O-N 3Å; V435-I439 HydrophobicContact CG1-CD1 3.94Å; V435-I439 WeakPolarHBondContact O-CG1 3.42Å; V435-I439 PolarHBondContact O-N 2.92Å
436	Q	96.2	Very high	91.8	Very high	91 Å²	91	55.6 Å²	55.6	43%	0.425	31%	0.305	S	S	.	.	H	α-helix	trans	-63	-45.8	177.6	-173	177.2	6.3	0	0	112	F402 E432 E433 S438 I439 L440	F402-Q436 HydrophobicContact CE2-CB 4.42Å; F402-Q436 HydrophobicContact CZ-CB 4.2Å; E432-Q436 VanDerWaalsContact O-CB 3.25Å; E432-Q436 WeakPolarHBondContact O-CB 3.34Å; E432-Q436 PolarHBondContact O-N 2.77Å; E433-Q436 PolarHBondContact O-N 2.82Å; Q436-S438 VanDerWaalsContact C-N 3.29Å; Q436-S438 PolarHBondContact O-N 3.43Å; Q436-I439 PolarHBondContact O-N 3.24Å; Q436-L440 HydrophobicContact CG-CD1 4.33Å; Q436-L440 WeakPolarHBondContact O-CG 3.39Å; Q436-L440 PolarHBondContact O-N 2.92Å
437	A	95	Very high	92.3	Very high	52 Å²	52	55 Å²	55	43%	0.43	30%	0.302	S	S	.	.	H	α-helix	trans	-59.9	-40.3	176.6	0	0	0	0	0	111.8	E433 L440 L441	E433-A437 VanDerWaalsContact O-CB 3.25Å; E433-A437 WeakPolarHBondContact O-CB 3.48Å; E433-A437 PolarHBondContact O-N 3.4Å; A437-L440 PolarHBondContact O-N 2.77Å; A437-L441 PolarHBondContact O-N 2.92Å
438	S	95.8	Very high	93.4	Very high	16 Å²	16	50.4 Å²	50.4	11%	0.112	28%	0.277	C	S	.	.	H	α-helix	trans	-62.9	-45.3	175.2	-58.5	0	0	0	0	111.6	V434 V435 Q436 L440 L441 H442	V434-S438 WeakPolarHBondContact O-CB 3.19Å; V434-S438 PolarHBondContact O-N 3.37Å; V434-S438 PolarHBondContact O-OG 3.08Å; V435-S438 WeakPolarHBondContact O-CB 3.35Å; V435-S438 PolarHBondContact O-N 3Å; Q436-S438 VanDerWaalsContact C-N 3.29Å; Q436-S438 PolarHBondContact O-N 3.43Å; S438-L440 VanDerWaalsContact C-N 3.3Å; S438-L440 PolarHBondContact O-N 2.86Å; S438-L441 PolarHBondContact O-N 2.92Å; S438-H442 PolarHBondContact O-CD2 3.12Å; S438-H442 VanDerWaalsContact O-CD2 3.26Å; S438-H442 PolarHBondContact O-N 2.93Å; S438-H442 VanDerWaalsContact O-N 3.11Å
439	I	96	Very high	94	Very high	6 Å²	6	46.1 Å²	46.1	3%	0.031	26%	0.257	C	S	.	.	H	α-helix	trans	-61.8	-39.3	176.2	-66.7	163.2	0	0	0	111.1	W386 F402 L405 V435 Q436 H442 S443 V453	W386-I439 HydrophobicContact CZ3-CG1 4.2Å; F402-I439 HydrophobicContact CD2-CD1 4.44Å; F402-I439 HydrophobicContact CE2-CD1 4.18Å; L405-I439 HydrophobicContact CD2-CD1 4.32Å; V435-I439 HydrophobicContact CG1-CD1 3.94Å; V435-I439 WeakPolarHBondContact O-CG1 3.42Å; V435-I439 PolarHBondContact O-N 2.92Å; Q436-I439 PolarHBondContact O-N 3.24Å; I439-H442 CarbonylContact O-C 3.55Å; I439-H442 VanDerWaalsContact O-C 3.22Å; I439-H442 PolarHBondContact O-N 3.36Å; I439-S443 WeakPolarHBondContact O-CA 3.17Å; I439-S443 PolarHBondContact O-N 3.43Å; I439-V453 HydrophobicContact CD1-CG1 3.97Å; I439-V453 HydrophobicContact CD1-CG2 3.71Å; I439-V453 HydrophobicContact CG1-CG1 4.49Å
440	L	95.1	Very high	94.1	Very high	114 Å²	114	52.6 Å²	52.6	60%	0.597	28%	0.277	S	S	*	.	H	α-helix	trans	-65.3	-43.5	178	-71.4	170.7	0	0	0	112.3	Q436 A437 S438 H442 S443	Q436-L440 HydrophobicContact CG-CD1 4.33Å; Q436-L440 WeakPolarHBondContact O-CG 3.39Å; Q436-L440 PolarHBondContact O-N 2.92Å; A437-L440 PolarHBondContact O-N 2.77Å; S438-L440 VanDerWaalsContact C-N 3.3Å; S438-L440 PolarHBondContact O-N 2.86Å; L440-H442 VanDerWaalsContact C-N 3.25Å; L440-H442 PolarHBondContact O-N 3.42Å; L440-S443 VanDerWaalsContact O-CB 3.3Å; L440-S443 WeakPolarHBondContact O-CB 3.36Å; L440-S443 PolarHBondContact O-N 2.52Å; L440-S443 PolarHBondContact O-OG 3.06Å
441	L	94.9	Very high	94	Very high	34 Å²	34	55.1 Å²	55.1	18%	0.178	29%	0.287	C	S	.	.	H	α-helix	trans	-60.4	-37.7	176	-177	64.9	0	0	0	111.7	D285 N320 A437 S438	D285-L441 HydrophobicContact CB-CD2 3.83Å; N320-L441 HydrophobicContact CB-CD1 4.3Å; N320-L441 WeakPolarHBondContact O-CD1 3.35Å; A437-L441 PolarHBondContact O-N 2.92Å; S438-L441 PolarHBondContact O-N 2.92Å
442	H	94.7	Very high	94	Very high	1 Å²	1	57.5 Å²	57.5	1%	0.005	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.6	35	179.3	-62.3	-84.1	0	0	0	113	D285 W386 S438 I439 L440 N444 I445 A446 Y481	D285-H442 PolarHBondContact O-CE1 3.49Å; D285-H442 PolarHBondContact O-NE2 3.38Å; W386-H442 AromaticContact CD1-CD2 3.53Å; W386-H442 AromaticContact CD1-CE1 3.46Å; W386-H442 VanDerWaalsContact CD1-CE1 3.46Å; W386-H442 AromaticContact CD1-CG 3.82Å; W386-H442 AromaticContact CD1-ND1 3.77Å; W386-H442 AromaticContact CD1-NE2 3.32Å; W386-H442 VanDerWaalsContact CD1-NE2 3.32Å; W386-H442 HydrophobicContact CD2-CB 3.94Å; W386-H442 AromaticContact CD2-CD2 3.33Å; W386-H442 AromaticContact CD2-CG 3.6Å; W386-H442 AromaticContact CD2-NE2 3.96Å; W386-H442 VanDerWaalsContact CE2-CB 3.49Å; W386-H442 AromaticContact CE2-CD2 3.56Å; W386-H442 AromaticContact CE2-CG 3.29Å; W386-H442 AromaticContact CE2-ND1 3.74Å; W386-H442 HydrophobicContact CE3-CB 4.14Å; W386-H442 AromaticContact CE3-CD2 3.9Å; W386-H442 AromaticContact CG-CD2 3.34Å; W386-H442 AromaticContact CG-CG 3.93Å; W386-H442 AromaticContact CG-NE2 3.45Å; W386-H442 HydrophobicContact CH2-CB 3.56Å; W386-H442 HydrophobicContact CZ2-CB 3.3Å; W386-H442 AromaticContact CZ2-CG 3.69Å; W386-H442 HydrophobicContact CZ3-CB 3.97Å; W386-H442 AromaticContact NE1-CD2 3.66Å; W386-H442 AromaticContact NE1-CE1 3.56Å; W386-H442 AromaticContact NE1-CG 3.44Å; W386-H442 AromaticContact NE1-ND1 3.38Å; W386-H442 PolarHBondContact NE1-ND1 3.31Å; W386-H442 AromaticContact NE1-NE2 3.75Å; S438-H442 PolarHBondContact O-CD2 3.12Å; S438-H442 VanDerWaalsContact O-CD2 3.26Å; S438-H442 PolarHBondContact O-N 2.93Å; S438-H442 VanDerWaalsContact O-N 3.11Å; I439-H442 CarbonylContact O-C 3.55Å; I439-H442 VanDerWaalsContact O-C 3.22Å; I439-H442 PolarHBondContact O-N 3.36Å; L440-H442 VanDerWaalsContact C-N 3.25Å; L440-H442 PolarHBondContact O-N 3.42Å; H442-N444 PolarHBondContact O-N 2.84Å; H442-I445 PolarHBondContact O-N 3.31Å; H442-A446 PolarHBondContact O-N 2.95Å; H442-Y481 AromaticContact CE1-CE1 3.84Å; H442-Y481 AromaticContact CE1-CZ 3.52Å; H442-Y481 PolarHBondContact CE1-OH 3.32Å; H442-Y481 VanDerWaalsContact CE1-OH 3.25Å; H442-Y481 AromaticContact ND1-CZ 3.75Å; H442-Y481 PolarHBondContact ND1-OH 3.34Å
443	S	91.8	Very high	93.9	Very high	62 Å²	62	53.2 Å²	53.2	43%	0.434	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-11.4	-179	55.6	0	0	0	0	114.4	I439 L440 I445 A446 K456	I439-S443 WeakPolarHBondContact O-CA 3.17Å; I439-S443 PolarHBondContact O-N 3.43Å; L440-S443 VanDerWaalsContact O-CB 3.3Å; L440-S443 WeakPolarHBondContact O-CB 3.36Å; L440-S443 PolarHBondContact O-N 2.52Å; L440-S443 PolarHBondContact O-OG 3.06Å; S443-I445 VanDerWaalsContact C-N 3.32Å; S443-A446 WeakPolarHBondContact CA-O 3.4Å; S443-K456 VanDerWaalsContact O-CE 3.26Å; S443-K456 WeakPolarHBondContact O-CE 3.38Å; S443-K456 PolarHBondContact O-NZ 3.37Å
444	N	87.9	Confident	93.8	Very high	51 Å²	51	51 Å²	51	27%	0.273	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74	-20.4	168.9	59.2	-64	0	0	0	113.6	K286 E290 H442	K286-N444 PolarHBondContact NZ-OD1 2.88Å; K286-N444 VanDerWaalsContact NZ-OD1 3.15Å; E290-N444 PolarHBondContact OE2-ND2 3.15Å; H442-N444 PolarHBondContact O-N 2.84Å
445	I	91.8	Very high	93.5	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107	-44.7	-175.3	-65.2	171.8	0	0	0	111.7	W386 H442 S443 L455 K456 T474 M477 C478 Y481	W386-I445 HydrophobicContact CH2-CB 4.48Å; W386-I445 HydrophobicContact CH2-CG2 4.33Å; W386-I445 HydrophobicContact CZ2-CB 4.09Å; W386-I445 HydrophobicContact CZ2-CD1 4.15Å; W386-I445 HydrophobicContact CZ2-CG2 3.95Å; H442-I445 PolarHBondContact O-N 3.31Å; S443-I445 VanDerWaalsContact C-N 3.32Å; I445-L455 HydrophobicContact CG2-CD2 4.29Å; I445-K456 PolarHBondContact O-N 3.44Å; I445-T474 HydrophobicContact CG2-CG2 4.1Å; I445-M477 HydrophobicContact CD1-CB 3.96Å; I445-M477 HydrophobicContact CD1-SD 4.37Å; I445-M477 HydrophobicContact CG1-CB 4.38Å; I445-M477 HydrophobicContact CG1-SD 4.14Å; I445-C478 WeakPolarHBondContact CG2-SG 3.11Å; I445-Y481 HydrophobicContact CD1-CD2 4.19Å; I445-Y481 HydrophobicContact CD1-CE2 3.66Å
446	A	93.4	Very high	93.1	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	158.9	-176.1	0	0	0	0	0	111.7	W386 H442 S443 V453 I454 L455	W386-A446 HydrophobicContact CH2-CB 3.96Å; H442-A446 PolarHBondContact O-N 2.95Å; S443-A446 WeakPolarHBondContact CA-O 3.4Å; A446-V453 HydrophobicContact CB-CG1 4.33Å; A446-I454 WeakPolarHBondContact CA-O 3.05Å; A446-L455 HydrophobicContact CB-CD2 4.16Å
447	S	93.8	Very high	92.1	Very high	35 Å²	35	51.4 Å²	51.4	25%	0.245	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	145.7	173.2	51	0	0	0	0	111.6	I454	S447-I454 PolarHBondContact N-O 3.04Å; S447-I454 PolarHBondContact O-N 2.81Å
448	L	93.9	Very high	90.3	Very high	61 Å²	61	56 Å²	56	32%	0.319	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	118.9	172	179	61.7	0	0	0	109.7	F402 Q452 V453	F402-L448 HydrophobicContact CB-CD1 3.87Å; F402-L448 HydrophobicContact CD2-CD1 3.86Å; F402-L448 HydrophobicContact CD2-CD2 4.06Å; F402-L448 HydrophobicContact CE2-CD2 4.23Å; F402-L448 HydrophobicContact CG-CD1 4.07Å; F402-L448 HydrophobicContact CG-CD2 4.48Å; L448-Q452 WeakPolarHBondContact CA-O 3.31Å; L448-V453 HydrophobicContact CD1-CG2 3.84Å
449	V	91.9	Very high	88.1	Confident	69 Å²	69	56.8 Å²	56.8	42%	0.418	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	117.1	179.4	-178.1	0	0	0	0	108.9	D451 Q452 I454	V449-D451 PolarHBondContact O-N 2.68Å; V449-Q452 PolarHBondContact N-O 3Å; V449-Q452 WeakPolarHBondContact O-CB 3.47Å; V449-Q452 PolarHBondContact O-N 3.43Å; V449-I454 HydrophobicContact CB-CD1 4.16Å
450	R	89.3	Confident	85.8	Confident	232 Å²	232	59.9 Å²	59.9	88%	0.875	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.7	53.5	178.6	-58.1	177	-178.6	176.5	0.6	112.3	Q452	R450-Q452 PolarHBondContact O-N 2.78Å
451	D	93.1	Very high	83.5	Confident	114 Å²	114	61.5 Å²	61.5	61%	0.61	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	62	11.5	-179.7	-48.1	-41.1	0	0	0	115.2	F402 V449	F402-D451 WeakPolarHBondContact CB-O 3.05Å; F402-D451 PolarHBondContact N-O 3.5Å; V449-D451 PolarHBondContact O-N 2.68Å
452	Q	94.4	Very high	81.6	Confident	64 Å²	64	64.2 Å²	64.2	30%	0.299	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	127	173.5	-64.9	-73	-50.5	0	0	109.9	M400 D401 L448 V449 R450 I454	M400-Q452 CarbonylContact O-C 3.52Å; M400-Q452 WeakPolarHBondContact O-CA 3.19Å; D401-Q452 PolarHBondContact OD1-NE2 2.73Å; L448-Q452 WeakPolarHBondContact CA-O 3.31Å; V449-Q452 PolarHBondContact N-O 3Å; V449-Q452 WeakPolarHBondContact O-CB 3.47Å; V449-Q452 PolarHBondContact O-N 3.43Å; R450-Q452 PolarHBondContact O-N 2.78Å; Q452-I454 HydrophobicContact CB-CD1 4.48Å; Q452-I454 HydrophobicContact CB-CG1 4.26Å
453	V	94.8	Very high	79.7	Confident	0 Å²	0	69.3 Å²	69.3	0%	0	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	116.9	169.1	-176.7	0	0	0	0	108.2	L393 S399 M400 F402 L405 I439 A446 L448	L393-V453 HydrophobicContact CD1-CG1 4.07Å; L393-V453 HydrophobicContact CD2-CB 4.32Å; L393-V453 HydrophobicContact CD2-CG1 3.97Å; S399-V453 CarbonylContact C-O 3.46Å; S399-V453 VanDerWaalsContact CA-O 3.24Å; S399-V453 WeakPolarHBondContact CA-O 3.38Å; M400-V453 PolarHBondContact N-O 3.37Å; M400-V453 PolarHBondContact O-N 2.85Å; F402-V453 HydrophobicContact CB-CG2 4.39Å; F402-V453 HydrophobicContact CD2-CG2 3.79Å; L405-V453 HydrophobicContact CD2-CB 3.94Å; L405-V453 HydrophobicContact CD2-CG1 4.03Å; L405-V453 HydrophobicContact CD2-CG2 3.67Å; I439-V453 HydrophobicContact CD1-CG1 3.97Å; I439-V453 HydrophobicContact CD1-CG2 3.71Å; I439-V453 HydrophobicContact CG1-CG1 4.49Å; A446-V453 HydrophobicContact CB-CG1 4.33Å; L448-V453 HydrophobicContact CD1-CG2 3.84Å
454	I	92.4	Very high	78.1	Confident	63 Å²	63	70.8 Å²	70.8	32%	0.323	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	130.6	-175.1	-58.4	166	0	0	0	108.5	A446 S447 V449 Q452	A446-I454 WeakPolarHBondContact CA-O 3.05Å; S447-I454 PolarHBondContact N-O 3.04Å; S447-I454 PolarHBondContact O-N 2.81Å; V449-I454 HydrophobicContact CB-CD1 4.16Å; Q452-I454 HydrophobicContact CB-CD1 4.48Å; Q452-I454 HydrophobicContact CB-CG1 4.26Å
455	L	91.2	Very high	76.7	Confident	3 Å²	3	70.6 Å²	70.6	2%	0.016	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	137.8	168.5	-65.9	179	0	0	0	109.5	L393 R397 P398 I445 A446 V457 L475	L393-L455 HydrophobicContact CB-CD2 4.36Å; L393-L455 HydrophobicContact CD1-CD2 4.03Å; R397-L455 HydrophobicContact CG-CD1 3.9Å; P398-L455 PolarHBondContact O-N 3.2Å; I445-L455 HydrophobicContact CG2-CD2 4.29Å; A446-L455 HydrophobicContact CB-CD2 4.16Å; L455-V457 HydrophobicContact CB-CG1 4.03Å; L455-V457 HydrophobicContact CB-CG2 4.38Å; L455-V457 PolarHBondContact O-N 3.44Å; L455-L475 HydrophobicContact CD1-CD2 4.22Å
456	K	86.8	Confident	75	Confident	83 Å²	83	77 Å²	77	36%	0.361	42%	0.421	S	S	.	.	S	Bend	trans	-76.7	67.6	176.6	-66.5	-173.5	172.9	-177.2	0	110.5	S443 I445 F470 T474	S443-K456 VanDerWaalsContact O-CE 3.26Å; S443-K456 WeakPolarHBondContact O-CE 3.38Å; S443-K456 PolarHBondContact O-NZ 3.37Å; I445-K456 PolarHBondContact O-N 3.44Å; K456-F470 HydrophobicContact CB-CE1 4.37Å; K456-F470 WeakPolarHBondContact O-CE1 3.27Å; K456-T474 WeakPolarHBondContact O-CG2 3.45Å; K456-T474 PolarHBondContact O-OG1 3.36Å
457	V	77.1	Confident	73.2	Confident	20 Å²	20	80.1 Å²	80.1	12%	0.121	45%	0.453	C	S	.	.			trans	-106	-14.1	177.6	-68.5	0	0	0	0	112.7	L455 Q471 T474 L475	L455-V457 HydrophobicContact CB-CG1 4.03Å; L455-V457 HydrophobicContact CB-CG2 4.38Å; L455-V457 PolarHBondContact O-N 3.44Å; V457-Q471 HydrophobicContact CB-CB 4.44Å; V457-Q471 HydrophobicContact CB-CG 3.95Å; V457-Q471 HydrophobicContact CG1-CG 4.14Å; V457-T474 HydrophobicContact CG1-CG2 4.19Å; V457-L475 HydrophobicContact CG1-CD1 4.42Å; V457-L475 HydrophobicContact CG1-CD2 3.9Å; V457-L475 HydrophobicContact CG1-CG 3.91Å
458	D	56.9	Low	71.9	Confident	147 Å²	147	80 Å²	80	79%	0.786	45%	0.449	S	S	*	.			trans	-127.4	77.1	-168.6	-136	6.6	0	0	0	109.4
459	S	49.1	Very low	71	Confident	33 Å²	33	78.9 Å²	78.9	23%	0.231	44%	0.443	C	S	.	.			trans	-80.9	121.1	151.6	54	0	0	0	0	104.9	D461 E463	S459-D461 CarbonylContact O-C 3.58Å; S459-D461 VanDerWaalsContact O-C 3.27Å; S459-D461 PolarHBondContact O-N 2.63Å; S459-D461 PolarHBondContact OG-O 3.19Å; S459-E463 WeakPolarHBondContact OG-CG 3.32Å
460	G	47.8	Very low	70.4	Confident	71 Å²	71	78.2 Å²	78.2	73%	0.732	44%	0.435	S	S	*	.	S	Bend	trans	-50.8	127	174.5	0	0	0	0	0	109.8
461	D	46	Very low	70.1	Confident	148 Å²	148	69.9 Å²	69.9	79%	0.791	41%	0.406	S	S	*	.	S	Bend	trans	71.5	119.7	-155.7	-61	-30.2	0	0	0	113.2	S459 E463	S459-D461 CarbonylContact O-C 3.58Å; S459-D461 VanDerWaalsContact O-C 3.27Å; S459-D461 PolarHBondContact O-N 2.63Å; S459-D461 PolarHBondContact OG-O 3.19Å; D461-E463 PolarHBondContact O-N 3.4Å
462	S	55	Low	69.8	Low	91 Å²	91	64.8 Å²	64.8	64%	0.636	38%	0.379	S	S	*	.			trans	-49.7	87.6	172.3	-64.6	0	0	0	0	110.1	V464	S462-V464 WeakPolarHBondContact O-CG2 3.24Å; S462-V464 PolarHBondContact O-N 3.25Å
463	E	55	Low	69.5	Low	108 Å²	108	62 Å²	62	51%	0.505	37%	0.365	S	S	.	.			trans	-63.1	113.5	-177.6	-84.1	-170	171.4	0	0	106.5	S459 D461 V465 F470	S459-E463 WeakPolarHBondContact OG-CG 3.32Å; D461-E463 PolarHBondContact O-N 3.4Å; E463-V465 PolarHBondContact O-N 3.12Å; E463-F470 HydrophobicContact CB-CB 4.34Å; E463-F470 VanDerWaalsContact O-CB 3.27Å; E463-F470 WeakPolarHBondContact O-CB 3.35Å; E463-F470 PolarHBondContact O-N 3.27Å
464	V	59	Low	69.3	Low	93 Å²	93	62 Å²	62	56%	0.564	37%	0.366	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.8	103.7	177.8	179.7	0	0	0	0	106.8	S462 L468	S462-V464 WeakPolarHBondContact O-CG2 3.24Å; S462-V464 PolarHBondContact O-N 3.25Å; V464-L468 CarbonylContact C-O 3.58Å; V464-L468 WeakPolarHBondContact CA-O 3.17Å
465	V	58.1	Low	69.3	Low	47 Å²	47	59.2 Å²	59.2	29%	0.285	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	115.9	175.4	-172.6	0	0	0	0	108	Y295 E463 G467 L468 F470 I473	Y295-V465 VanDerWaalsContact OH-CG1 3.25Å; Y295-V465 WeakPolarHBondContact OH-CG1 3.21Å; E463-V465 PolarHBondContact O-N 3.12Å; V465-G467 PolarHBondContact O-N 3.18Å; V465-L468 PolarHBondContact N-O 3.46Å; V465-L468 PolarHBondContact O-N 3.48Å; V465-F470 HydrophobicContact CG2-CB 4.44Å; V465-F470 HydrophobicContact CG2-CD2 3.99Å; V465-I473 HydrophobicContact CB-CD1 4.4Å
466	D	55.3	Low	69.4	Low	136 Å²	136	59.2 Å²	59.2	73%	0.727	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.7	33.3	-177.4	-63.1	-35.8	0	0	0	114.1	Y295	Y295-D466 HydrophobicContact CE1-CB 4.37Å
467	G	57	Low	69.8	Low	65 Å²	65	55.7 Å²	55.7	67%	0.67	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.8	2.5	-178.8	0	0	0	0	0	114.8	V465	V465-G467 PolarHBondContact O-N 3.18Å
468	L	64.9	Low	70.7	Confident	32 Å²	32	54.7 Å²	54.7	17%	0.168	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	144.3	-179.3	-66	166.2	0	0	0	112.1	Y295 L298 V300 V464 V465 F470 I473	Y295-L468 HydrophobicContact CD1-CD1 3.46Å; Y295-L468 VanDerWaalsContact CD1-CD1 3.46Å; Y295-L468 HydrophobicContact CE1-CD1 3.76Å; L298-L468 HydrophobicContact CB-CD1 3.98Å; L298-L468 HydrophobicContact CB-CD2 4.1Å; L298-L468 HydrophobicContact CD1-CD1 3.75Å; L298-L468 HydrophobicContact CD1-CD2 4.21Å; L298-L468 HydrophobicContact CD1-CG 4.38Å; V300-L468 HydrophobicContact CG2-CD1 3.59Å; V464-L468 CarbonylContact C-O 3.58Å; V464-L468 WeakPolarHBondContact CA-O 3.17Å; V465-L468 PolarHBondContact N-O 3.46Å; V465-L468 PolarHBondContact O-N 3.48Å; L468-F470 PolarHBondContact O-N 3.21Å; L468-I473 HydrophobicContact CB-CD1 4.34Å
469	I	76.9	Confident	72.5	Confident	38 Å²	38	48 Å²	48	20%	0.195	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	121.4	177.5	-55.7	-177.1	0	0	0	109	Q471 H472	I469-Q471 HydrophobicContact CG2-CB 4.03Å; I469-Q471 PolarHBondContact O-N 2.84Å; I469-H472 WeakPolarHBondContact O-CB 3.49Å; I469-H472 PolarHBondContact O-N 3.33Å
470	F	78.1	Confident	74.7	Confident	55 Å²	55	47.3 Å²	47.3	24%	0.241	29%	0.291	C	S	.	.	H	α-helix	trans	-52.7	-39.2	-178.3	-176.4	-107.5	0	0	0	113.4	K456 E463 V465 L468 H472 I473 T474	K456-F470 HydrophobicContact CB-CE1 4.37Å; K456-F470 WeakPolarHBondContact O-CE1 3.27Å; E463-F470 HydrophobicContact CB-CB 4.34Å; E463-F470 VanDerWaalsContact O-CB 3.27Å; E463-F470 WeakPolarHBondContact O-CB 3.35Å; E463-F470 PolarHBondContact O-N 3.27Å; V465-F470 HydrophobicContact CG2-CB 4.44Å; V465-F470 HydrophobicContact CG2-CD2 3.99Å; L468-F470 PolarHBondContact O-N 3.21Å; F470-H472 VanDerWaalsContact C-N 3.28Å; F470-H472 PolarHBondContact O-N 3.03Å; F470-I473 WeakPolarHBondContact O-CB 3.41Å; F470-I473 PolarHBondContact O-N 3.36Å; F470-T474 PolarHBondContact O-N 3.35Å; F470-T474 VanDerWaalsContact O-N 3.09Å
471	Q	83.9	Confident	77	Confident	57 Å²	57	44.4 Å²	44.4	27%	0.266	26%	0.258	S	S	.	.	H	α-helix	trans	-53.8	-41.4	174.2	178.1	176.6	62.4	0	0	113	V457 I469 I473 T474 L475 Y620	V457-Q471 HydrophobicContact CB-CB 4.44Å; V457-Q471 HydrophobicContact CB-CG 3.95Å; V457-Q471 HydrophobicContact CG1-CG 4.14Å; I469-Q471 HydrophobicContact CG2-CB 4.03Å; I469-Q471 PolarHBondContact O-N 2.84Å; Q471-I473 VanDerWaalsContact C-N 3.27Å; Q471-I473 PolarHBondContact O-N 3.49Å; Q471-T474 PolarHBondContact O-N 2.98Å; Q471-L475 HydrophobicContact CG-CD1 3.74Å; Q471-L475 HydrophobicContact CG-CG 4.36Å; Q471-L475 WeakPolarHBondContact O-CB 3.2Å; Q471-L475 WeakPolarHBondContact O-CG 3.34Å; Q471-L475 PolarHBondContact O-N 3.38Å; Q471-Y620 VanDerWaalsContact CD-OH 3.24Å; Q471-Y620 HydrophobicContact CG-CE1 4.16Å; Q471-Y620 PolarHBondContact NE2-OH 3.02Å; Q471-Y620 PolarHBondContact OE1-OH 3.18Å
472	H	86.9	Confident	79.4	Confident	7 Å²	7	37.9 Å²	37.9	3%	0.032	22%	0.223	C	C	.	.	H	α-helix	trans	-63.1	-38.7	178.6	-62.6	173.5	0	0	0	111.1	L298 I469 F470 L476 Y620 L623	L298-H472 HydrophobicContact CD1-CB 4.44Å; L298-H472 HydrophobicContact CD2-CB 4.42Å; I469-H472 WeakPolarHBondContact O-CB 3.49Å; I469-H472 PolarHBondContact O-N 3.33Å; F470-H472 VanDerWaalsContact C-N 3.28Å; F470-H472 PolarHBondContact O-N 3.03Å; H472-L476 WeakPolarHBondContact O-CB 3.44Å; H472-L476 WeakPolarHBondContact O-CG 3.5Å; H472-L476 PolarHBondContact O-N 3.05Å; H472-Y620 AromaticContact CD2-CD1 3.49Å; H472-Y620 VanDerWaalsContact CD2-CD1 3.49Å; H472-Y620 WeakPolarHBondContact CD2-CD1 3.21Å; H472-Y620 AromaticContact CD2-CE1 3.43Å; H472-Y620 VanDerWaalsContact CD2-CE1 3.43Å; H472-Y620 WeakPolarHBondContact CD2-CE1 3.42Å; H472-Y620 AromaticContact NE2-CE1 3.75Å; H472-L623 HydrophobicContact CB-CD1 3.99Å
473	I	87.5	Confident	81.3	Confident	4 Å²	4	33.9 Å²	33.9	2%	0.021	19%	0.194	C	C	.	.	H	α-helix	trans	-64.7	-53.8	-179.8	-59.8	173.1	0	0	0	109.5	V294 Y295 L298 V465 L468 F470 Q471 L475 L476 M477	V294-I473 HydrophobicContact CB-CG2 4.47Å; V294-I473 HydrophobicContact CG1-CB 4.19Å; V294-I473 HydrophobicContact CG1-CG1 4.43Å; V294-I473 HydrophobicContact CG1-CG2 3.89Å; Y295-I473 HydrophobicContact CE1-CD1 3.7Å; L298-I473 HydrophobicContact CD1-CG1 4.03Å; V465-I473 HydrophobicContact CB-CD1 4.4Å; L468-I473 HydrophobicContact CB-CD1 4.34Å; F470-I473 WeakPolarHBondContact O-CB 3.41Å; F470-I473 PolarHBondContact O-N 3.36Å; Q471-I473 VanDerWaalsContact C-N 3.27Å; Q471-I473 PolarHBondContact O-N 3.49Å; I473-L475 VanDerWaalsContact C-N 3.34Å; I473-L475 PolarHBondContact O-N 3.07Å; I473-L476 PolarHBondContact O-N 3.05Å; I473-M477 HydrophobicContact CG2-CE 3.65Å; I473-M477 HydrophobicContact CG2-SD 4.31Å; I473-M477 WeakPolarHBondContact O-CG 3.26Å; I473-M477 PolarHBondContact O-N 2.78Å
474	T	90.1	Very high	83.2	Confident	1 Å²	1	30 Å²	30	1%	0.006	18%	0.176	C	C	.	.	H	α-helix	trans	-59.6	-42.9	-179.2	-57.3	0	0	0	0	112.2	I445 K456 V457 F470 Q471 M477 C478	I445-T474 HydrophobicContact CG2-CG2 4.1Å; K456-T474 WeakPolarHBondContact O-CG2 3.45Å; K456-T474 PolarHBondContact O-OG1 3.36Å; V457-T474 HydrophobicContact CG1-CG2 4.19Å; F470-T474 PolarHBondContact O-N 3.35Å; F470-T474 VanDerWaalsContact O-N 3.09Å; Q471-T474 PolarHBondContact O-N 2.98Å; T474-M477 WeakPolarHBondContact O-CB 3.18Å; T474-M477 PolarHBondContact O-N 3.36Å; T474-C478 PolarHBondContact O-N 2.97Å; T474-C478 PolarHBondContact O-SG 3.22Å
475	L	92.6	Very high	84.8	Confident	4 Å²	4	25.5 Å²	25.5	2%	0.021	15%	0.149	C	C	.	.	H	α-helix	trans	-71.6	-36.8	-178.4	-69.2	175.7	0	0	0	112.6	L394 L455 V457 Q471 I473 C478 S479 Y620	L394-L475 HydrophobicContact CD2-CD2 4.13Å; L455-L475 HydrophobicContact CD1-CD2 4.22Å; V457-L475 HydrophobicContact CG1-CD1 4.42Å; V457-L475 HydrophobicContact CG1-CD2 3.9Å; V457-L475 HydrophobicContact CG1-CG 3.91Å; Q471-L475 HydrophobicContact CG-CD1 3.74Å; Q471-L475 HydrophobicContact CG-CG 4.36Å; Q471-L475 WeakPolarHBondContact O-CB 3.2Å; Q471-L475 WeakPolarHBondContact O-CG 3.34Å; Q471-L475 PolarHBondContact O-N 3.38Å; I473-L475 VanDerWaalsContact C-N 3.34Å; I473-L475 PolarHBondContact O-N 3.07Å; L475-C478 WeakPolarHBondContact O-CB 3.35Å; L475-C478 PolarHBondContact O-N 3.23Å; L475-S479 PolarHBondContact O-N 2.89Å; L475-S479 PolarHBondContact O-OG 3.48Å; L475-Y620 HydrophobicContact CB-CG 4.3Å; L475-Y620 HydrophobicContact CD1-CD1 3.77Å; L475-Y620 HydrophobicContact CD1-CD2 3.4Å; L475-Y620 VanDerWaalsContact CD1-CD2 3.4Å; L475-Y620 HydrophobicContact CD1-CE1 3.76Å; L475-Y620 HydrophobicContact CD1-CE2 3.43Å; L475-Y620 VanDerWaalsContact CD1-CE2 3.43Å; L475-Y620 HydrophobicContact CD1-CG 3.58Å
476	L	93.8	Very high	86.6	Confident	3 Å²	3	23.3 Å²	23.3	2%	0.016	14%	0.135	C	C	.	.	H	α-helix	trans	-70.3	-32.4	173.8	-73.2	178.9	0	0	0	112.5	V294 L298 H472 I473 S479 A480 L623	V294-L476 HydrophobicContact CG1-CB 3.81Å; V294-L476 HydrophobicContact CG1-CD1 4.27Å; V294-L476 HydrophobicContact CG2-CB 4.44Å; L298-L476 HydrophobicContact CD1-CD1 4.26Å; L298-L476 HydrophobicContact CD2-CD1 3.55Å; L298-L476 HydrophobicContact CG-CD1 3.74Å; H472-L476 WeakPolarHBondContact O-CB 3.44Å; H472-L476 WeakPolarHBondContact O-CG 3.5Å; H472-L476 PolarHBondContact O-N 3.05Å; I473-L476 PolarHBondContact O-N 3.05Å; L476-S479 PolarHBondContact O-N 3.13Å; L476-A480 PolarHBondContact O-N 3.07Å; L476-L623 HydrophobicContact CD1-CB 4.29Å
477	M	94.2	Very high	88.2	Confident	9 Å²	9	17.4 Å²	17.4	4%	0.044	10%	0.104	C	C	.	.	H	α-helix	trans	-60.2	-46.9	168.2	-71.9	175	175.4	0	0	110.9	E290 T291 V294 I445 I473 T474 S479 A480 Y481	E290-M477 HydrophobicContact CG-CE 4.19Å; E290-M477 HydrophobicContact CG-CG 4.01Å; E290-M477 HydrophobicContact CG-SD 4.2Å; T291-M477 VanDerWaalsContact CA-CE 3.43Å; T291-M477 HydrophobicContact CG2-CE 3.64Å; T291-M477 WeakPolarHBondContact OG1-CE 3.43Å; V294-M477 HydrophobicContact CG2-CB 4.38Å; V294-M477 HydrophobicContact CG2-CE 4.48Å; V294-M477 HydrophobicContact CG2-CG 3.5Å; V294-M477 VanDerWaalsContact CG2-CG 3.5Å; I445-M477 HydrophobicContact CD1-CB 3.96Å; I445-M477 HydrophobicContact CD1-SD 4.37Å; I445-M477 HydrophobicContact CG1-CB 4.38Å; I445-M477 HydrophobicContact CG1-SD 4.14Å; I473-M477 HydrophobicContact CG2-CE 3.65Å; I473-M477 HydrophobicContact CG2-SD 4.31Å; I473-M477 WeakPolarHBondContact O-CG 3.26Å; I473-M477 PolarHBondContact O-N 2.78Å; T474-M477 WeakPolarHBondContact O-CB 3.18Å; T474-M477 PolarHBondContact O-N 3.36Å; M477-S479 VanDerWaalsContact C-N 3.34Å; M477-S479 PolarHBondContact O-N 3.42Å; M477-A480 WeakPolarHBondContact O-CB 3.4Å; M477-A480 PolarHBondContact O-N 3.23Å; M477-A480 VanDerWaalsContact O-N 3.15Å; M477-Y481 VanDerWaalsContact O-CD2 3.31Å; M477-Y481 WeakPolarHBondContact O-CD2 3.46Å; M477-Y481 PolarHBondContact O-N 3.44Å
478	C	95.6	Very high	89.9	Confident	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-59.1	-46.1	175.6	-68	0	0	0	0	111.3	V390 L394 I445 T474 L475 A480 Y481 R482	V390-C478 HydrophobicContact CG1-CB 3.61Å; V390-C478 WeakPolarHBondContact CG1-O 3.46Å; L394-C478 HydrophobicContact CD1-CB 3.93Å; L394-C478 HydrophobicContact CD2-CB 3.66Å; L394-C478 HydrophobicContact CG-CB 3.91Å; I445-C478 WeakPolarHBondContact CG2-SG 3.11Å; T474-C478 PolarHBondContact O-N 2.97Å; T474-C478 PolarHBondContact O-SG 3.22Å; L475-C478 WeakPolarHBondContact O-CB 3.35Å; L475-C478 PolarHBondContact O-N 3.23Å; C478-A480 PolarHBondContact O-N 3.46Å; C478-Y481 PolarHBondContact O-N 3.17Å; C478-Y481 VanDerWaalsContact O-N 3.15Å; C478-R482 PolarHBondContact O-N 3.29Å
479	S	95.4	Very high	91.4	Very high	5 Å²	5	13.9 Å²	13.9	4%	0.035	7%	0.069	C	C	.	.	H	α-helix	trans	-56.4	-40	175.6	-73.8	0	0	0	0	111.7	L475 L476 M477 Y481 R482 N483 D621	L475-S479 PolarHBondContact O-N 2.89Å; L475-S479 PolarHBondContact O-OG 3.48Å; L476-S479 PolarHBondContact O-N 3.13Å; M477-S479 VanDerWaalsContact C-N 3.34Å; M477-S479 PolarHBondContact O-N 3.42Å; S479-Y481 PolarHBondContact O-N 3.01Å; S479-R482 PolarHBondContact O-N 3.35Å; S479-N483 VanDerWaalsContact O-CB 3.29Å; S479-N483 WeakPolarHBondContact O-CB 3.36Å; S479-N483 PolarHBondContact O-N 3.19Å; S479-N483 PolarHBondContact O-ND2 3.42Å; S479-N483 PolarHBondContact O-OD1 3.48Å; S479-D621 VanDerWaalsContact CB-OD1 3.31Å; S479-D621 WeakPolarHBondContact CB-OD1 3.27Å; S479-D621 PolarHBondContact OG-OD1 2.83Å
480	A	95.3	Very high	92.4	Very high	19 Å²	19	12 Å²	12	16%	0.157	6%	0.06	C	C	.	.	H	α-helix	trans	-61.4	-42.7	176.8	0	0	0	0	0	112.5	A250 L476 M477 C478 N483	A250-A480 HydrophobicContact CB-CB 4.4Å; A250-A480 WeakPolarHBondContact CB-O 3.38Å; L476-A480 PolarHBondContact O-N 3.07Å; M477-A480 WeakPolarHBondContact O-CB 3.4Å; M477-A480 PolarHBondContact O-N 3.23Å; M477-A480 VanDerWaalsContact O-N 3.15Å; C478-A480 PolarHBondContact O-N 3.46Å; A480-N483 WeakPolarHBondContact O-CB 3.29Å; A480-N483 PolarHBondContact O-N 3.08Å
481	Y	96	Very high	93.3	Very high	11 Å²	11	10.2 Å²	10.2	4%	0.043	5%	0.052	C	C	.	.	H	α-helix	trans	-67.4	-43.9	174.9	-71.9	-70.2	0	0	0	113.1	D285 E290 W386 H442 I445 M477 C478 S479 N483 Q484	D285-Y481 WeakPolarHBondContact O-CE1 3.44Å; E290-Y481 WeakPolarHBondContact OE1-CE2 3.1Å; E290-Y481 PolarHBondContact OE1-OH 3.13Å; W386-Y481 AromaticContact CD1-CD1 3.4Å; W386-Y481 VanDerWaalsContact CD1-CD1 3.4Å; W386-Y481 AromaticContact CD1-CD2 3.86Å; W386-Y481 AromaticContact CD1-CE1 3.63Å; W386-Y481 AromaticContact CD1-CG 3.53Å; W386-Y481 AromaticContact CD1-CZ 3.96Å; W386-Y481 AromaticContact NE1-CD1 3.69Å; W386-Y481 AromaticContact NE1-CD2 3.22Å; W386-Y481 AromaticContact NE1-CE1 3.85Å; W386-Y481 AromaticContact NE1-CE2 3.39Å; W386-Y481 AromaticContact NE1-CG 3.38Å; W386-Y481 AromaticContact NE1-CZ 3.72Å; H442-Y481 AromaticContact CE1-CE1 3.84Å; H442-Y481 AromaticContact CE1-CZ 3.52Å; H442-Y481 PolarHBondContact CE1-OH 3.32Å; H442-Y481 VanDerWaalsContact CE1-OH 3.25Å; H442-Y481 AromaticContact ND1-CZ 3.75Å; H442-Y481 PolarHBondContact ND1-OH 3.34Å; I445-Y481 HydrophobicContact CD1-CD2 4.19Å; I445-Y481 HydrophobicContact CD1-CE2 3.66Å; M477-Y481 VanDerWaalsContact O-CD2 3.31Å; M477-Y481 WeakPolarHBondContact O-CD2 3.46Å; M477-Y481 PolarHBondContact O-N 3.44Å; C478-Y481 PolarHBondContact O-N 3.17Å; C478-Y481 VanDerWaalsContact O-N 3.15Å; S479-Y481 PolarHBondContact O-N 3.01Å; Y481-N483 PolarHBondContact O-N 3.36Å; Y481-Q484 WeakPolarHBondContact O-CB 3.27Å; Y481-Q484 PolarHBondContact O-N 2.87Å
482	R	96	Very high	93.9	Very high	11 Å²	11	7.5 Å²	7.5	4%	0.042	4%	0.039	C	C	.	.	H	α-helix	trans	-56.7	-38.1	173.5	179.5	-156.7	66.7	-159.3	-6.2	111.2	A391 L394 C478 S479 Q484 L485 L572 D621	A391-R482 HydrophobicContact CB-CG 4.2Å; L394-R482 HydrophobicContact CD1-CB 3.84Å; L394-R482 HydrophobicContact CD1-CG 4.24Å; C478-R482 PolarHBondContact O-N 3.29Å; S479-R482 PolarHBondContact O-N 3.35Å; R482-Q484 PolarHBondContact O-N 3.41Å; R482-Q484 VanDerWaalsContact O-N 3.16Å; R482-L485 WeakPolarHBondContact O-CB 3.37Å; R482-L485 PolarHBondContact O-N 3.4Å; R482-L572 HydrophobicContact CG-CD1 3.63Å; R482-D621 IonicContact CZ-OD1 3.78Å; R482-D621 IonicContact CZ-OD2 3.54Å; R482-D621 IonicContact NH1-OD1 3.54Å; R482-D621 IonicContact NH1-OD2 3.92Å; R482-D621 PolarHBondContact NH1-OD2 2.99Å; R482-D621 IonicContact NH2-OD1 3.49Å; R482-D621 PolarHBondContact NH2-OD1 3.36Å; R482-D621 IonicContact NH2-OD2 2.68Å
483	N	95.6	Very high	94.4	Very high	7 Å²	7	7.2 Å²	7.2	4%	0.037	4%	0.037	C	C	.	.	H	α-helix	trans	-61.8	-24.1	-176.6	-73.2	-7.3	0	0	0	113.6	S249 K251 S479 A480 Y481 L485 L486	S249-N483 VanDerWaalsContact O-CB 3.25Å; S249-N483 WeakPolarHBondContact O-CB 3.29Å; S249-N483 PolarHBondContact O-ND2 3.34Å; K251-N483 HydrophobicContact CG-CB 3.8Å; S479-N483 VanDerWaalsContact O-CB 3.29Å; S479-N483 WeakPolarHBondContact O-CB 3.36Å; S479-N483 PolarHBondContact O-N 3.19Å; S479-N483 PolarHBondContact O-ND2 3.42Å; S479-N483 PolarHBondContact O-OD1 3.48Å; A480-N483 WeakPolarHBondContact O-CB 3.29Å; A480-N483 PolarHBondContact O-N 3.08Å; Y481-N483 PolarHBondContact O-N 3.36Å; N483-L485 PolarHBondContact O-N 3.47Å; N483-L486 HydrophobicContact CB-CD1 4.04Å; N483-L486 PolarHBondContact O-N 2.9Å; N483-L486 VanDerWaalsContact OD1-CD1 3.22Å; N483-L486 WeakPolarHBondContact OD1-CD1 3.27Å
484	Q	94.1	Very high	94.9	Very high	25 Å²	25	7 Å²	7	12%	0.117	4%	0.036	C	C	.	.	H	α-helix	trans	-63.4	-29	174	-57.2	-176.5	31.4	0	0	111.7	A250 M381 L383 T387 Y481 R482	A250-Q484 HydrophobicContact CB-CG 4.1Å; M381-Q484 HydrophobicContact CE-CB 4.38Å; M381-Q484 WeakPolarHBondContact CE-O 3.34Å; L383-Q484 HydrophobicContact CD2-CB 4.26Å; T387-Q484 HydrophobicContact CG2-CB 4.11Å; T387-Q484 HydrophobicContact CG2-CG 4.47Å; Y481-Q484 WeakPolarHBondContact O-CB 3.27Å; Y481-Q484 PolarHBondContact O-N 2.87Å; R482-Q484 PolarHBondContact O-N 3.41Å; R482-Q484 VanDerWaalsContact O-N 3.16Å
485	L	93.8	Very high	95.2	Very high	0 Å²	0	7 Å²	7	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-78.9	-23	178.1	-61.2	177.3	0	0	0	113.5	L383 T387 L388 A391 R482 N483 N487 I488 F489	L383-L485 HydrophobicContact CD1-CD2 3.69Å; L383-L485 HydrophobicContact CD2-CD2 3.9Å; L383-L485 HydrophobicContact CG-CD2 4.29Å; T387-L485 WeakPolarHBondContact O-CD1 3.44Å; L388-L485 HydrophobicContact CD2-CD1 3.88Å; L388-L485 HydrophobicContact CD2-CD2 3.59Å; L388-L485 HydrophobicContact CD2-CG 4.39Å; A391-L485 HydrophobicContact CB-CD1 3.71Å; R482-L485 WeakPolarHBondContact O-CB 3.37Å; R482-L485 PolarHBondContact O-N 3.4Å; N483-L485 PolarHBondContact O-N 3.47Å; L485-N487 VanDerWaalsContact C-N 3.31Å; L485-N487 PolarHBondContact O-N 2.86Å; L485-I488 WeakPolarHBondContact O-CB 3.28Å; L485-I488 PolarHBondContact O-N 3.29Å; L485-F489 HydrophobicContact CB-CD2 4.02Å; L485-F489 HydrophobicContact CB-CE2 4.17Å; L485-F489 WeakPolarHBondContact O-CD2 3.36Å; L485-F489 PolarHBondContact O-N 2.53Å
486	L	94.8	Very high	95.4	Very high	1 Å²	1	6.8 Å²	6.8	1%	0.005	4%	0.035	C	C	.	.	H	α-helix	trans	-62.1	-36.7	-163	-65.2	176.2	0	0	0	113.3	N483 I488 F489 V490 F525 L572 F573 F576	N483-L486 HydrophobicContact CB-CD1 4.04Å; N483-L486 PolarHBondContact O-N 2.9Å; N483-L486 VanDerWaalsContact OD1-CD1 3.22Å; N483-L486 WeakPolarHBondContact OD1-CD1 3.27Å; L486-I488 PolarHBondContact O-N 3.44Å; L486-F489 CarbonylContact O-C 3.5Å; L486-F489 PolarHBondContact O-N 2.82Å; L486-F489 VanDerWaalsContact O-N 3.1Å; L486-V490 WeakPolarHBondContact O-CA 3.33Å; L486-V490 WeakPolarHBondContact O-CB 3.32Å; L486-V490 PolarHBondContact O-N 2.89Å; L486-F525 HydrophobicContact CB-CD1 4.43Å; L486-F525 HydrophobicContact CB-CE1 3.89Å; L486-F525 HydrophobicContact CD1-CE1 3.82Å; L486-F525 HydrophobicContact CD1-CZ 4.38Å; L486-F525 HydrophobicContact CG-CE1 4.43Å; L486-L572 HydrophobicContact CD2-CD1 3.96Å; L486-L572 HydrophobicContact CD2-CD2 4.14Å; L486-L572 HydrophobicContact CD2-CG 3.72Å; L486-F573 HydrophobicContact CB-CZ 4.04Å; L486-F573 HydrophobicContact CD2-CD2 4.35Å; L486-F573 HydrophobicContact CD2-CE1 4.31Å; L486-F573 HydrophobicContact CD2-CE2 3.77Å; L486-F573 HydrophobicContact CD2-CZ 3.73Å; L486-F573 HydrophobicContact CG-CZ 4.45Å; L486-F576 HydrophobicContact CD1-CE1 4.49Å; L486-F576 HydrophobicContact CD1-CE2 3.52Å; L486-F576 HydrophobicContact CD1-CZ 3.32Å; L486-F576 HydrophobicContact CD2-CE2 4.18Å
487	N	89.8	Confident	95.5	Very high	12 Å²	12	6.9 Å²	6.9	6%	0.064	4%	0.036	C	C	.	.	H	α-helix	trans	-65.9	-24.8	-179.5	-76.3	-58.4	0	0	0	113.6	T252 V378 L485	T252-N487 PolarHBondContact OG1-ND2 2.88Å; V378-N487 HydrophobicContact CG1-CB 3.47Å; V378-N487 VanDerWaalsContact CG1-CB 3.47Å; V378-N487 HydrophobicContact CG2-CB 4.38Å; L485-N487 VanDerWaalsContact C-N 3.31Å; L485-N487 PolarHBondContact O-N 2.86Å
488	I	93.3	Very high	95.5	Very high	22 Å²	22	6.4 Å²	6.4	11%	0.113	3%	0.033	C	C	.	.	H	α-helix	trans	-75.2	-38.2	174.6	-63.4	157.4	0	0	0	109.9	L383 T416 F419 L485 L486	L383-I488 HydrophobicContact CD1-CD1 3.19Å; L383-I488 HydrophobicContact CD2-CD1 4.32Å; L383-I488 HydrophobicContact CG-CD1 4.14Å; T416-I488 HydrophobicContact CG2-CD1 4.35Å; F419-I488 HydrophobicContact CB-CG2 3.86Å; L485-I488 WeakPolarHBondContact O-CB 3.28Å; L485-I488 PolarHBondContact O-N 3.29Å; L486-I488 PolarHBondContact O-N 3.44Å
489	F	96.3	Very high	95.4	Very high	0 Å²	0	7 Å²	7	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-94.7	-12	-173.8	-69	-72.8	0	0	0	114.6	L412 L415 T416 F419 L485 L486 R491 P492 S493 L569 L572 F573	L412-F489 HydrophobicContact CD1-CE2 4.41Å; L412-F489 HydrophobicContact CD1-CZ 3.85Å; L415-F489 HydrophobicContact CD2-CE1 3.96Å; L415-F489 HydrophobicContact CG-CE1 4.02Å; T416-F489 WeakPolarHBondContact OG1-CZ 3.14Å; F419-F489 AromaticContact CD2-CD1 3.46Å; F419-F489 HydrophobicContact CD2-CD1 3.46Å; F419-F489 VanDerWaalsContact CD2-CD1 3.46Å; F419-F489 AromaticContact CD2-CE1 3.44Å; F419-F489 HydrophobicContact CD2-CE1 3.44Å; F419-F489 VanDerWaalsContact CD2-CE1 3.44Å; F419-F489 AromaticContact CE2-CD1 3.67Å; F419-F489 HydrophobicContact CE2-CD1 3.67Å; F419-F489 AromaticContact CE2-CE1 3.76Å; F419-F489 HydrophobicContact CE2-CE1 3.76Å; F419-F489 HydrophobicContact CG-CE1 4.42Å; L485-F489 HydrophobicContact CB-CD2 4.02Å; L485-F489 HydrophobicContact CB-CE2 4.17Å; L485-F489 WeakPolarHBondContact O-CD2 3.36Å; L485-F489 PolarHBondContact O-N 2.53Å; L486-F489 CarbonylContact O-C 3.5Å; L486-F489 PolarHBondContact O-N 2.82Å; L486-F489 VanDerWaalsContact O-N 3.1Å; F489-R491 PolarHBondContact O-N 2.96Å; F489-P492 WeakPolarHBondContact O-CD 3.13Å; F489-P492 VanDerWaalsContact O-CG 3.27Å; F489-P492 WeakPolarHBondContact O-CG 3.11Å; F489-S493 WeakPolarHBondContact O-CB 3.44Å; F489-S493 PolarHBondContact O-N 2.95Å; F489-S493 PolarHBondContact O-OG 2.97Å; F489-S493 VanDerWaalsContact O-OG 3.1Å; F489-L569 HydrophobicContact CB-CD2 4.16Å; F489-L569 HydrophobicContact CD1-CD2 3.37Å; F489-L569 HydrophobicContact CE1-CD2 4.11Å; F489-L569 HydrophobicContact CG-CD2 4.12Å; F489-L572 HydrophobicContact CB-CD2 3.67Å; F489-L572 HydrophobicContact CD2-CD2 3.86Å; F489-L572 HydrophobicContact CG-CD2 3.82Å; F489-F573 HydrophobicContact CB-CE2 3.96Å
490	V	96.8	Very high	95.2	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-56.1	-51.5	-170.5	64.4	0	0	0	0	113.1	L486 S493 L494 F525 F527 F573	L486-V490 WeakPolarHBondContact O-CA 3.33Å; L486-V490 WeakPolarHBondContact O-CB 3.32Å; L486-V490 PolarHBondContact O-N 2.89Å; V490-S493 PolarHBondContact O-N 3.32Å; V490-L494 HydrophobicContact CG2-CD1 4.44Å; V490-L494 HydrophobicContact CG2-CG 4.25Å; V490-L494 WeakPolarHBondContact O-CB 3.28Å; V490-L494 VanDerWaalsContact O-CG 3.25Å; V490-L494 WeakPolarHBondContact O-CG 3.42Å; V490-L494 PolarHBondContact O-N 3.24Å; V490-F525 HydrophobicContact CB-CG 4.46Å; V490-F525 HydrophobicContact CG2-CB 3.93Å; V490-F525 HydrophobicContact CG2-CD1 4.38Å; V490-F525 HydrophobicContact CG2-CD2 3.69Å; V490-F525 HydrophobicContact CG2-CE2 4.36Å; V490-F525 HydrophobicContact CG2-CG 3.72Å; V490-F527 HydrophobicContact CG1-CE1 4.38Å; V490-F527 HydrophobicContact CG2-CE1 3.98Å; V490-F527 HydrophobicContact CG2-CZ 3.58Å; V490-F573 HydrophobicContact CB-CE1 4.02Å; V490-F573 HydrophobicContact CB-CZ 3.82Å; V490-F573 HydrophobicContact CG2-CE1 3.89Å; V490-F573 HydrophobicContact CG2-CZ 4.22Å
491	R	96.9	Very high	94.9	Very high	17 Å²	17	13.2 Å²	13.2	6%	0.064	6%	0.062	C	C	.	.	H	α-helix	trans	-61.2	-55.1	-179.4	-66.4	131.3	171.6	94.7	19.1	112.4	F489 S493 L494 V495 D535 E538	F489-R491 PolarHBondContact O-N 2.96Å; R491-S493 VanDerWaalsContact C-N 3.32Å; R491-S493 PolarHBondContact O-N 3.25Å; R491-L494 PolarHBondContact O-N 3.5Å; R491-V495 PolarHBondContact O-N 3.31Å; R491-D535 HydrophobicContact CG-CB 4.36Å; R491-D535 IonicContact CZ-OD1 3Å; R491-D535 IonicContact NE-OD1 3.95Å; R491-D535 IonicContact NH2-OD1 2.82Å; R491-D535 PolarHBondContact NH2-OD1 3.07Å; R491-D535 VanDerWaalsContact NH2-OD1 3.11Å; R491-E538 VanDerWaalsContact CD-OE2 3.31Å; R491-E538 WeakPolarHBondContact CD-OE2 3.29Å; R491-E538 IonicContact NE-OE1 3.5Å; R491-E538 IonicContact NE-OE2 2.82Å; R491-E538 PolarHBondContact NE-OE2 3.27Å
492	P	97.4	Very high	94.5	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-64.5	-34	178.4	23.9	-32.7	0	0	0	112.6	F419 F489 V495 A496 L542 L543 L569	F419-P492 HydrophobicContact CD2-CG 3.74Å; F419-P492 HydrophobicContact CE2-CB 3.81Å; F419-P492 HydrophobicContact CE2-CG 3.46Å; F419-P492 VanDerWaalsContact CE2-CG 3.46Å; F419-P492 HydrophobicContact CZ-CB 4.14Å; F419-P492 HydrophobicContact CZ-CG 4.24Å; F489-P492 WeakPolarHBondContact O-CD 3.13Å; F489-P492 VanDerWaalsContact O-CG 3.27Å; F489-P492 WeakPolarHBondContact O-CG 3.11Å; P492-V495 PolarHBondContact O-N 3Å; P492-A496 WeakPolarHBondContact O-CB 3.03Å; P492-A496 PolarHBondContact O-N 3.19Å; P492-L542 HydrophobicContact CG-CD1 4.26Å; P492-L543 HydrophobicContact CB-CD1 4.27Å; P492-L543 HydrophobicContact CB-CD2 3.94Å; P492-L543 HydrophobicContact CB-CG 3.78Å; P492-L569 HydrophobicContact CB-CD1 4.13Å
493	S	97.9	Very high	93.4	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-67.5	-39.1	175.5	-73.1	0	0	0	0	113.3	F489 V490 R491 V495 A496 M497 L569 F573	F489-S493 WeakPolarHBondContact O-CB 3.44Å; F489-S493 PolarHBondContact O-N 2.95Å; F489-S493 PolarHBondContact O-OG 2.97Å; F489-S493 VanDerWaalsContact O-OG 3.1Å; V490-S493 PolarHBondContact O-N 3.32Å; R491-S493 VanDerWaalsContact C-N 3.32Å; R491-S493 PolarHBondContact O-N 3.25Å; S493-V495 VanDerWaalsContact C-N 3.28Å; S493-V495 PolarHBondContact O-N 2.72Å; S493-A496 PolarHBondContact O-N 3.18Å; S493-M497 WeakPolarHBondContact O-CB 3.34Å; S493-M497 WeakPolarHBondContact O-CG 3.4Å; S493-M497 PolarHBondContact O-N 2.92Å; S493-L569 WeakPolarHBondContact OG-CB 3.22Å; S493-L569 WeakPolarHBondContact OG-CD2 3.42Å; S493-L569 PolarHBondContact OG-O 3.19Å; S493-L569 VanDerWaalsContact OG-O 3.07Å; S493-F573 VanDerWaalsContact CB-CE2 3.41Å; S493-F573 WeakPolarHBondContact OG-CD2 3.37Å; S493-F573 VanDerWaalsContact OG-CE2 3.23Å; S493-F573 WeakPolarHBondContact OG-CE2 3.43Å
494	L	97.5	Very high	92.2	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-63.5	-36	173.5	-69.7	-164.9	0	0	0	111.4	V490 R491 M497 A498 F514 L517 R518 F521 F527	V490-L494 HydrophobicContact CG2-CD1 4.44Å; V490-L494 HydrophobicContact CG2-CG 4.25Å; V490-L494 WeakPolarHBondContact O-CB 3.28Å; V490-L494 VanDerWaalsContact O-CG 3.25Å; V490-L494 WeakPolarHBondContact O-CG 3.42Å; V490-L494 PolarHBondContact O-N 3.24Å; R491-L494 PolarHBondContact O-N 3.5Å; L494-M497 HydrophobicContact CD2-CE 3.34Å; L494-A498 VanDerWaalsContact O-CB 3.24Å; L494-A498 WeakPolarHBondContact O-CB 3.3Å; L494-A498 PolarHBondContact O-N 3.3Å; L494-F514 HydrophobicContact CB-CD2 3.53Å; L494-F514 HydrophobicContact CB-CE2 3.47Å; L494-F514 VanDerWaalsContact CB-CE2 3.47Å; L494-F514 HydrophobicContact CB-CZ 4.49Å; L494-F514 HydrophobicContact CD1-CE2 4.11Å; L494-F514 HydrophobicContact CD1-CZ 4.38Å; L494-F514 HydrophobicContact CG-CE2 4.39Å; L494-L517 HydrophobicContact CD2-CB 4.05Å; L494-R518 HydrophobicContact CD1-CB 3.91Å; L494-F521 HydrophobicContact CD2-CD2 3.99Å; L494-F521 HydrophobicContact CD2-CE2 4.46Å; L494-F527 HydrophobicContact CD1-CE1 4.24Å; L494-F527 HydrophobicContact CD1-CZ 3.83Å
495	V	97.2	Very high	91.8	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-67.5	-44.4	173.3	176.6	0	0	0	0	111	R491 P492 S493 A498 L499 F514 F536 L543	R491-V495 PolarHBondContact O-N 3.31Å; P492-V495 PolarHBondContact O-N 3Å; S493-V495 VanDerWaalsContact C-N 3.28Å; S493-V495 PolarHBondContact O-N 2.72Å; V495-A498 PolarHBondContact O-N 2.89Å; V495-L499 HydrophobicContact CG1-CD1 4.16Å; V495-L499 WeakPolarHBondContact O-CG 3.33Å; V495-L499 PolarHBondContact O-N 3.37Å; V495-F514 HydrophobicContact CG2-CD2 3.73Å; V495-F514 HydrophobicContact CG2-CE2 3.9Å; V495-F536 HydrophobicContact CG2-CD2 3.87Å; V495-F536 HydrophobicContact CG2-CE2 4.03Å; V495-L543 HydrophobicContact CB-CD1 3.84Å; V495-L543 HydrophobicContact CG1-CD1 3.66Å
496	A	96.2	Very high	91.7	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-60.6	-45.5	177.5	0	0	0	0	0	112.2	P492 S493 L499 Q500 L566 L569 I570	P492-A496 WeakPolarHBondContact O-CB 3.03Å; P492-A496 PolarHBondContact O-N 3.19Å; S493-A496 PolarHBondContact O-N 3.18Å; A496-L499 PolarHBondContact O-N 3.31Å; A496-Q500 PolarHBondContact O-N 2.6Å; A496-Q500 VanDerWaalsContact O-N 3.1Å; A496-L566 HydrophobicContact CB-CB 4.42Å; A496-L566 HydrophobicContact CB-CG 3.9Å; A496-L569 HydrophobicContact CB-CB 4.03Å; A496-L569 HydrophobicContact CB-CD1 4.3Å; A496-I570 HydrophobicContact CB-CG1 4.04Å
497	M	95.4	Very high	91.6	Very high	5 Å²	5	34.2 Å²	34.2	3%	0.025	17%	0.172	C	C	.	.	H	α-helix	trans	-62.9	-45	173.5	-71.7	-170.6	-63.7	0	0	111	S493 L494 L499 Q500 M501 L517 F521 I570 F573 V577	S493-M497 WeakPolarHBondContact O-CB 3.34Å; S493-M497 WeakPolarHBondContact O-CG 3.4Å; S493-M497 PolarHBondContact O-N 2.92Å; L494-M497 HydrophobicContact CD2-CE 3.34Å; M497-L499 VanDerWaalsContact C-N 3.29Å; M497-L499 PolarHBondContact O-N 3.1Å; M497-Q500 WeakPolarHBondContact O-CB 3.19Å; M497-Q500 PolarHBondContact O-N 3.19Å; M497-M501 WeakPolarHBondContact O-CG 3.4Å; M497-M501 PolarHBondContact O-N 3.5Å; M497-L517 HydrophobicContact CB-CD1 3.82Å; M497-L517 HydrophobicContact CE-CD1 4.46Å; M497-F521 HydrophobicContact CE-CE2 4.35Å; M497-I570 HydrophobicContact CG-CG1 4.2Å; M497-F573 HydrophobicContact CE-CB 3.68Å; M497-F573 HydrophobicContact CE-CD1 4.43Å; M497-F573 HydrophobicContact CE-CG 4.27Å; M497-F573 HydrophobicContact SD-CB 3.7Å; M497-V577 HydrophobicContact SD-CG2 3.7Å
498	A	95.1	Very high	91.7	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-57.2	-42.7	177.1	0	0	0	0	0	112.4	L494 V495 Q500 M501 T502 V510 C513 F514 L517	L494-A498 VanDerWaalsContact O-CB 3.24Å; L494-A498 WeakPolarHBondContact O-CB 3.3Å; L494-A498 PolarHBondContact O-N 3.3Å; V495-A498 PolarHBondContact O-N 2.89Å; A498-Q500 VanDerWaalsContact C-N 3.35Å; A498-Q500 PolarHBondContact O-N 2.8Å; A498-M501 PolarHBondContact O-N 3.29Å; A498-T502 WeakPolarHBondContact O-CG2 3.29Å; A498-T502 PolarHBondContact O-N 3.17Å; A498-T502 PolarHBondContact O-OG1 3.08Å; A498-V510 HydrophobicContact CB-CG1 3.89Å; A498-C513 HydrophobicContact CB-CB 3.87Å; A498-F514 HydrophobicContact CB-CB 4.22Å; A498-L517 HydrophobicContact CB-CD1 4.39Å
499	L	93.4	Very high	91.6	Very high	11 Å²	11	40.8 Å²	40.8	6%	0.058	20%	0.204	C	C	.	.	H	α-helix	trans	-60.7	-40.5	174.5	-75.2	165.9	0	0	0	112.7	V495 A496 M497 M501 T502 F505 V510 I549 V556 V558 L566	V495-L499 HydrophobicContact CG1-CD1 4.16Å; V495-L499 WeakPolarHBondContact O-CG 3.33Å; V495-L499 PolarHBondContact O-N 3.37Å; A496-L499 PolarHBondContact O-N 3.31Å; M497-L499 VanDerWaalsContact C-N 3.29Å; M497-L499 PolarHBondContact O-N 3.1Å; L499-M501 VanDerWaalsContact C-N 3.34Å; L499-T502 PolarHBondContact O-OG1 3.21Å; L499-F505 HydrophobicContact CD2-CD1 4.34Å; L499-V510 HydrophobicContact CD2-CG1 4.18Å; L499-V510 HydrophobicContact CD2-CG2 3.72Å; L499-V510 HydrophobicContact CG-CG1 4.14Å; L499-V510 HydrophobicContact CG-CG2 4.46Å; L499-I549 HydrophobicContact CD1-CG2 4.2Å; L499-V556 HydrophobicContact CD1-CG1 4.05Å; L499-V556 HydrophobicContact CD2-CB 4.01Å; L499-V556 HydrophobicContact CD2-CG1 3.82Å; L499-V556 HydrophobicContact CG-CG1 4.41Å; L499-V558 HydrophobicContact CD1-CG2 4.26Å; L499-L566 HydrophobicContact CD1-CD2 4.12Å
500	Q	91.2	Very high	91.5	Very high	127 Å²	127	40.8 Å²	40.8	59%	0.593	20%	0.204	S	C	*	.	H	α-helix	trans	-66.5	-36	176.1	-176.7	-179.9	55.8	0	0	112.2	A496 M497 A498 I570	A496-Q500 PolarHBondContact O-N 2.6Å; A496-Q500 VanDerWaalsContact O-N 3.1Å; M497-Q500 WeakPolarHBondContact O-CB 3.19Å; M497-Q500 PolarHBondContact O-N 3.19Å; A498-Q500 VanDerWaalsContact C-N 3.35Å; A498-Q500 PolarHBondContact O-N 2.8Å; Q500-I570 HydrophobicContact CB-CD1 3.94Å; Q500-I570 HydrophobicContact CG-CD1 4.4Å
501	M	88.9	Confident	91.4	Very high	29 Å²	29	42.6 Å²	42.6	14%	0.143	21%	0.211	C	C	.	.	H	α-helix	trans	-80.5	-21.1	-177.4	-62.5	-178.4	75.8	0	0	113.2	M497 A498 L499 L517 M665 C668 I672	M497-M501 WeakPolarHBondContact O-CG 3.4Å; M497-M501 PolarHBondContact O-N 3.5Å; A498-M501 PolarHBondContact O-N 3.29Å; L499-M501 VanDerWaalsContact C-N 3.34Å; M501-L517 HydrophobicContact SD-CD1 3.92Å; M501-L517 HydrophobicContact SD-CD2 3.88Å; M501-L517 HydrophobicContact SD-CG 4.22Å; M501-M665 WeakPolarHBondContact CE-O 3.42Å; M501-C668 VanDerWaalsContact CG-SG 3.53Å; M501-I672 HydrophobicContact CE-CD1 3.79Å
502	T	86	Confident	91.3	Very high	15 Å²	15	44 Å²	44	9%	0.092	22%	0.223	C	C	.	.			trans	-97.3	120.2	-179.2	53.3	0	0	0	0	111.7	A498 L499 G504 D509 C513	A498-T502 WeakPolarHBondContact O-CG2 3.29Å; A498-T502 PolarHBondContact O-N 3.17Å; A498-T502 PolarHBondContact O-OG1 3.08Å; L499-T502 PolarHBondContact O-OG1 3.21Å; T502-G504 PolarHBondContact O-N 3.04Å; T502-G504 VanDerWaalsContact O-N 3.09Å; T502-G504 PolarHBondContact OG1-O 3.42Å; T502-D509 HydrophobicContact CG2-CB 4.29Å; T502-C513 HydrophobicContact CG2-CB 3.9Å
503	P	73.6	Confident	91.2	Very high	136 Å²	136	44 Å²	44	88%	0.883	22%	0.223	S	C	*	.	S	Bend	trans	-69.6	-5.9	178.8	26.3	-33	0	0	0	114.1
504	G	71.7	Confident	91.1	Very high	28 Å²	28	44 Å²	44	29%	0.289	22%	0.223	S	C	.	.	S	Bend	trans	-129	143.4	175.7	0	0	0	0	0	111.4	T502 R506	T502-G504 PolarHBondContact O-N 3.04Å; T502-G504 VanDerWaalsContact O-N 3.09Å; T502-G504 PolarHBondContact OG1-O 3.42Å; G504-R506 PolarHBondContact O-N 3.07Å
505	F	84.7	Confident	91	Very high	105 Å²	105	49.9 Å²	49.9	46%	0.461	25%	0.246	S	C	.	.			trans	-75.2	15.1	-179.5	-62.4	-69.1	0	0	0	114	L499 K507 D555 V556 L557 V558	L499-F505 HydrophobicContact CD2-CD1 4.34Å; F505-K507 PolarHBondContact O-N 2.99Å; F505-D555 HydrophobicContact CB-CB 4.46Å; F505-D555 CarbonylContact O-C 3.59Å; F505-D555 WeakPolarHBondContact O-CA 3.33Å; F505-D555 WeakPolarHBondContact O-CB 3.22Å; F505-V556 WeakPolarHBondContact CB-O 3.06Å; F505-V556 WeakPolarHBondContact CD1-O 3.27Å; F505-V556 PolarHBondContact O-N 2.95Å; F505-L557 HydrophobicContact CB-CD2 3.94Å; F505-L557 HydrophobicContact CD2-CD2 4.34Å; F505-L557 HydrophobicContact CG-CD2 4.12Å; F505-V558 HydrophobicContact CE1-CG2 4.3Å
506	R	91.7	Very high	91	Very high	145 Å²	145	51.3 Å²	51.3	55%	0.547	25%	0.252	S	S	.	.	B	Isolated β-bridge	trans	-70.6	126.1	-176.2	-69.3	-176.9	67	-161.4	-3.1	110.2	G504 E508 D509 V510	G504-R506 PolarHBondContact O-N 3.07Å; R506-E508 PolarHBondContact O-N 3.47Å; R506-E508 VanDerWaalsContact O-N 3.13Å; R506-D509 HydrophobicContact CB-CB 4.37Å; R506-D509 WeakPolarHBondContact CB-OD2 3.43Å; R506-D509 PolarHBondContact O-N 2.99Å; R506-V510 WeakPolarHBondContact O-CG2 3.22Å; R506-V510 PolarHBondContact O-N 3.1Å
507	K	91.8	Very high	90.9	Very high	66 Å²	66	51.3 Å²	51.3	29%	0.287	25%	0.252	S	S	.	.	H	α-helix	trans	-53.8	-38	-177.5	-175.6	177.2	178.2	-179.8	0	113.2	F505 Y511 F536 V551 K554 V556	F505-K507 PolarHBondContact O-N 2.99Å; K507-Y511 VanDerWaalsContact O-CB 3.28Å; K507-Y511 WeakPolarHBondContact O-CB 3.44Å; K507-Y511 PolarHBondContact O-N 3.41Å; K507-F536 HydrophobicContact CG-CE1 4.2Å; K507-F536 HydrophobicContact CG-CZ 4.37Å; K507-V551 HydrophobicContact CD-CG1 4.42Å; K507-K554 WeakPolarHBondContact CB-O 3.25Å; K507-K554 PolarHBondContact N-O 2.78Å; K507-V556 HydrophobicContact CB-CG2 4.02Å; K507-V556 HydrophobicContact CG-CG2 4.09Å
508	E	92.1	Very high	91	Very high	121 Å²	121	51.9 Å²	51.9	57%	0.565	25%	0.254	S	S	*	.	H	α-helix	trans	-68.1	-37.9	-179.2	-157.4	65.9	-162.6	0	0	112.8	R506 S512	R506-E508 PolarHBondContact O-N 3.47Å; R506-E508 VanDerWaalsContact O-N 3.13Å; E508-S512 WeakPolarHBondContact O-CB 3.49Å; E508-S512 PolarHBondContact O-N 3.07Å; E508-S512 PolarHBondContact O-OG 2.9Å
509	D	92.2	Very high	90.9	Very high	51 Å²	51	54.8 Å²	54.8	27%	0.273	27%	0.269	S	S	.	.	H	α-helix	trans	-72.8	-43	179.3	-61.1	-31.1	0	0	0	109.4	T502 R506 Y511 S512 C513	T502-D509 HydrophobicContact CG2-CB 4.29Å; R506-D509 HydrophobicContact CB-CB 4.37Å; R506-D509 WeakPolarHBondContact CB-OD2 3.43Å; R506-D509 PolarHBondContact O-N 2.99Å; D509-Y511 PolarHBondContact O-N 2.96Å; D509-S512 PolarHBondContact O-N 3.18Å; D509-C513 PolarHBondContact O-N 3.2Å
510	V	94.3	Very high	91	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-60.5	-44.6	173.7	-178.8	0	0	0	0	110.8	A498 L499 R506 S512 C513 F514 F536	A498-V510 HydrophobicContact CB-CG1 3.89Å; L499-V510 HydrophobicContact CD2-CG1 4.18Å; L499-V510 HydrophobicContact CD2-CG2 3.72Å; L499-V510 HydrophobicContact CG-CG1 4.14Å; L499-V510 HydrophobicContact CG-CG2 4.46Å; R506-V510 WeakPolarHBondContact O-CG2 3.22Å; R506-V510 PolarHBondContact O-N 3.1Å; V510-S512 PolarHBondContact O-N 2.95Å; V510-C513 PolarHBondContact O-N 3.35Å; V510-F514 WeakPolarHBondContact O-CB 3.1Å; V510-F514 PolarHBondContact O-N 3.46Å; V510-F536 HydrophobicContact CG1-CE2 3.99Å; V510-F536 HydrophobicContact CG1-CZ 4.3Å
511	Y	95.3	Very high	91.2	Very high	38 Å²	38	48.2 Å²	48.2	15%	0.149	24%	0.238	C	C	.	.	H	α-helix	trans	-63.3	-40.8	177.1	176.1	-117	0	0	0	112.3	K507 D509 C513 F514 R515 T532 L533 F536	K507-Y511 VanDerWaalsContact O-CB 3.28Å; K507-Y511 WeakPolarHBondContact O-CB 3.44Å; K507-Y511 PolarHBondContact O-N 3.41Å; D509-Y511 PolarHBondContact O-N 2.96Å; Y511-C513 VanDerWaalsContact C-N 3.35Å; Y511-F514 PolarHBondContact O-N 3.1Å; Y511-R515 WeakPolarHBondContact O-CB 3.34Å; Y511-R515 PolarHBondContact O-N 2.93Å; Y511-T532 HydrophobicContact CE2-CG2 4.16Å; Y511-L533 HydrophobicContact CE2-CD1 4.03Å; Y511-F536 HydrophobicContact CD2-CB 3.79Å; Y511-F536 AromaticContact CD2-CD1 3.61Å; Y511-F536 HydrophobicContact CD2-CD1 3.61Å; Y511-F536 HydrophobicContact CD2-CD2 4.06Å; Y511-F536 HydrophobicContact CD2-CE1 4.16Å; Y511-F536 AromaticContact CD2-CG 3.54Å; Y511-F536 HydrophobicContact CD2-CG 3.54Å; Y511-F536 HydrophobicContact CE2-CB 3.93Å; Y511-F536 HydrophobicContact CE2-CD1 4.34Å; Y511-F536 HydrophobicContact CE2-CG 4.19Å; Y511-F536 HydrophobicContact CG-CD1 4.34Å; Y511-F536 HydrophobicContact CG-CE1 4.48Å
512	S	94.3	Very high	91.4	Very high	46 Å²	46	48.4 Å²	48.4	32%	0.322	24%	0.244	S	C	.	.	H	α-helix	trans	-62.6	-42.2	176.5	-63	0	0	0	0	111.7	E508 D509 V510 R515 F516	E508-S512 WeakPolarHBondContact O-CB 3.49Å; E508-S512 PolarHBondContact O-N 3.07Å; E508-S512 PolarHBondContact O-OG 2.9Å; D509-S512 PolarHBondContact O-N 3.18Å; V510-S512 PolarHBondContact O-N 2.95Å; S512-R515 PolarHBondContact O-N 2.84Å; S512-F516 PolarHBondContact O-N 2.94Å; S512-F516 VanDerWaalsContact O-N 3.12Å
513	C	94.6	Very high	91.8	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-67.2	-43.2	174.2	-173.8	0	0	0	0	112.6	A498 T502 D509 V510 Y511 R515 F516 L517 I672	A498-C513 HydrophobicContact CB-CB 3.87Å; T502-C513 HydrophobicContact CG2-CB 3.9Å; D509-C513 PolarHBondContact O-N 3.2Å; V510-C513 PolarHBondContact O-N 3.35Å; Y511-C513 VanDerWaalsContact C-N 3.35Å; C513-R515 VanDerWaalsContact C-N 3.31Å; C513-R515 PolarHBondContact O-N 3.48Å; C513-F516 WeakPolarHBondContact O-CB 3.46Å; C513-F516 PolarHBondContact O-N 3.24Å; C513-L517 WeakPolarHBondContact O-CG 3.25Å; C513-L517 PolarHBondContact O-N 2.89Å; C513-I672 HydrophobicContact CB-CB 4.47Å; C513-I672 HydrophobicContact CB-CD1 4.09Å; C513-I672 HydrophobicContact CB-CG2 4.48Å; C513-I672 WeakPolarHBondContact SG-CD1 3.47Å
514	F	95.9	Very high	92.7	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-56.8	-45.8	174.5	172.6	-86.7	0	0	0	111.4	L494 V495 A498 V510 Y511 F516 L517 R518 D535 F536	L494-F514 HydrophobicContact CB-CD2 3.53Å; L494-F514 HydrophobicContact CB-CE2 3.47Å; L494-F514 VanDerWaalsContact CB-CE2 3.47Å; L494-F514 HydrophobicContact CB-CZ 4.49Å; L494-F514 HydrophobicContact CD1-CE2 4.11Å; L494-F514 HydrophobicContact CD1-CZ 4.38Å; L494-F514 HydrophobicContact CG-CE2 4.39Å; V495-F514 HydrophobicContact CG2-CD2 3.73Å; V495-F514 HydrophobicContact CG2-CE2 3.9Å; A498-F514 HydrophobicContact CB-CB 4.22Å; V510-F514 WeakPolarHBondContact O-CB 3.1Å; V510-F514 PolarHBondContact O-N 3.46Å; Y511-F514 PolarHBondContact O-N 3.1Å; F514-F516 PolarHBondContact O-N 2.91Å; F514-L517 PolarHBondContact O-N 2.98Å; F514-R518 HydrophobicContact CE1-CB 4.49Å; F514-R518 WeakPolarHBondContact O-CB 3.08Å; F514-R518 PolarHBondContact O-N 2.96Å; F514-D535 HydrophobicContact CE1-CB 4.2Å; F514-D535 HydrophobicContact CZ-CB 3.91Å; F514-F536 HydrophobicContact CB-CD2 3.85Å; F514-F536 HydrophobicContact CB-CE2 4.26Å; F514-F536 HydrophobicContact CD1-CB 3.77Å; F514-F536 AromaticContact CD1-CD2 3.93Å; F514-F536 HydrophobicContact CD1-CD2 3.93Å; F514-F536 HydrophobicContact CD1-CG 4.28Å; F514-F536 AromaticContact CD2-CD2 3.87Å; F514-F536 HydrophobicContact CD2-CD2 3.87Å; F514-F536 HydrophobicContact CE1-CB 3.66Å; F514-F536 HydrophobicContact CE1-CD2 4.48Å; F514-F536 HydrophobicContact CE2-CD2 4.4Å; F514-F536 HydrophobicContact CG-CB 4.3Å; F514-F536 AromaticContact CG-CD2 3.61Å; F514-F536 HydrophobicContact CG-CD2 3.61Å; F514-F536 HydrophobicContact CG-CE2 4.45Å; F514-F536 HydrophobicContact CG-CG 4.4Å; F514-F536 HydrophobicContact CZ-CB 4.07Å
515	R	96.3	Very high	93.8	Very high	125 Å²	125	42.2 Å²	42.2	47%	0.472	20%	0.196	S	C	.	.	H	α-helix	trans	-59.8	-46.2	177.6	-177.4	179.6	-153.1	165	7	111.4	Y511 S512 C513 R518 D519 T532	Y511-R515 WeakPolarHBondContact O-CB 3.34Å; Y511-R515 PolarHBondContact O-N 2.93Å; S512-R515 PolarHBondContact O-N 2.84Å; C513-R515 VanDerWaalsContact C-N 3.31Å; C513-R515 PolarHBondContact O-N 3.48Å; R515-R518 PolarHBondContact O-N 3.39Å; R515-D519 WeakPolarHBondContact O-CB 3.45Å; R515-D519 PolarHBondContact O-N 3.31Å; R515-T532 HydrophobicContact CB-CG2 4.18Å; R515-T532 HydrophobicContact CG-CG2 3.92Å
516	F	95.5	Very high	94.1	Very high	29 Å²	29	37.3 Å²	37.3	13%	0.127	18%	0.175	C	C	.	.	H	α-helix	trans	-56.9	-51.6	175.5	164.8	-104.7	0	0	0	111.7	S512 C513 F514 R518 D519 V520 L662 M665 L666 I672	S512-F516 PolarHBondContact O-N 2.94Å; S512-F516 VanDerWaalsContact O-N 3.12Å; C513-F516 WeakPolarHBondContact O-CB 3.46Å; C513-F516 PolarHBondContact O-N 3.24Å; F514-F516 PolarHBondContact O-N 2.91Å; F516-R518 VanDerWaalsContact C-N 3.33Å; F516-R518 PolarHBondContact O-N 3.45Å; F516-D519 PolarHBondContact O-N 3.21Å; F516-V520 HydrophobicContact CD2-CG2 4.13Å; F516-V520 HydrophobicContact CE1-CG2 4.32Å; F516-V520 HydrophobicContact CE2-CG2 3.69Å; F516-V520 HydrophobicContact CZ-CG2 3.8Å; F516-V520 WeakPolarHBondContact O-CG2 3.23Å; F516-V520 PolarHBondContact O-N 3.09Å; F516-L662 HydrophobicContact CE2-CD1 3.92Å; F516-L662 HydrophobicContact CZ-CD1 3.81Å; F516-M665 HydrophobicContact CD1-CE 4.28Å; F516-M665 HydrophobicContact CD2-CE 3.43Å; F516-M665 VanDerWaalsContact CD2-CE 3.43Å; F516-M665 HydrophobicContact CE1-CB 4.06Å; F516-M665 HydrophobicContact CE1-CE 4.29Å; F516-M665 HydrophobicContact CE2-CB 4.25Å; F516-M665 HydrophobicContact CE2-CE 3.44Å; F516-M665 VanDerWaalsContact CE2-CE 3.44Å; F516-M665 HydrophobicContact CE2-SD 4.03Å; F516-M665 HydrophobicContact CG-CE 3.86Å; F516-M665 HydrophobicContact CZ-CB 3.63Å; F516-M665 HydrophobicContact CZ-CE 3.89Å; F516-M665 HydrophobicContact CZ-SD 4.38Å; F516-L666 HydrophobicContact CE1-CD2 4.1Å; F516-L666 HydrophobicContact CZ-CD2 4.2Å; F516-L666 HydrophobicContact CZ-CG 4.35Å; F516-I672 HydrophobicContact CB-CG2 4.16Å; F516-I672 HydrophobicContact CD1-CD1 3.64Å; F516-I672 HydrophobicContact CD1-CG1 4.49Å; F516-I672 HydrophobicContact CE1-CD1 4.08Å; F516-I672 HydrophobicContact CG-CD1 4.35Å
517	L	96.1	Very high	94.1	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-61.4	-41.9	179.6	-68.1	167.9	0	0	0	112	L494 M497 A498 M501 C513 F514 D519 V520 F521	L494-L517 HydrophobicContact CD2-CB 4.05Å; M497-L517 HydrophobicContact CB-CD1 3.82Å; M497-L517 HydrophobicContact CE-CD1 4.46Å; A498-L517 HydrophobicContact CB-CD1 4.39Å; M501-L517 HydrophobicContact SD-CD1 3.92Å; M501-L517 HydrophobicContact SD-CD2 3.88Å; M501-L517 HydrophobicContact SD-CG 4.22Å; C513-L517 WeakPolarHBondContact O-CG 3.25Å; C513-L517 PolarHBondContact O-N 2.89Å; F514-L517 PolarHBondContact O-N 2.98Å; L517-D519 VanDerWaalsContact C-N 3.33Å; L517-D519 PolarHBondContact O-N 3.19Å; L517-V520 PolarHBondContact O-N 2.95Å; L517-F521 HydrophobicContact CB-CD2 4.44Å; L517-F521 HydrophobicContact CB-CE2 4.49Å; L517-F521 HydrophobicContact CD2-CE2 4.06Å; L517-F521 WeakPolarHBondContact O-CD2 3.41Å; L517-F521 PolarHBondContact O-N 2.85Å
518	R	95.5	Very high	94	Very high	18 Å²	18	29.1 Å²	29.1	7%	0.068	14%	0.144	C	C	.	.	H	α-helix	trans	-60.2	-42.5	175.8	-179.5	179.5	174	-86.9	5.5	111.8	L494 F514 R515 F516 F521 A522 F527 L528 T532 D535	L494-R518 HydrophobicContact CD1-CB 3.91Å; F514-R518 HydrophobicContact CE1-CB 4.49Å; F514-R518 WeakPolarHBondContact O-CB 3.08Å; F514-R518 PolarHBondContact O-N 2.96Å; R515-R518 PolarHBondContact O-N 3.39Å; F516-R518 VanDerWaalsContact C-N 3.33Å; F516-R518 PolarHBondContact O-N 3.45Å; R518-F521 CarbonylContact O-C 3.55Å; R518-F521 PolarHBondContact O-N 2.88Å; R518-A522 WeakPolarHBondContact O-CB 3.46Å; R518-A522 PolarHBondContact O-N 3.46Å; R518-F527 HydrophobicContact CG-CD1 4.17Å; R518-F527 HydrophobicContact CG-CD2 4.03Å; R518-F527 HydrophobicContact CG-CE1 4.19Å; R518-F527 HydrophobicContact CG-CE2 4.02Å; R518-F527 HydrophobicContact CG-CG 4.09Å; R518-F527 HydrophobicContact CG-CZ 4.11Å; R518-L528 PolarHBondContact NH2-O 2.88Å; R518-T532 PolarHBondContact NH1-OG1 3.49Å; R518-D535 IonicContact CZ-OD2 3.24Å; R518-D535 IonicContact NE-OD2 3.18Å; R518-D535 PolarHBondContact NE-OD2 3.17Å; R518-D535 IonicContact NH2-OD2 2.72Å; R518-D535 PolarHBondContact NH2-OD2 3.32Å
519	D	94.3	Very high	93.7	Very high	61 Å²	61	26.8 Å²	26.8	33%	0.326	14%	0.14	S	C	.	.	H	α-helix	trans	-70.2	-34.4	-180	-67.5	-16.3	0	0	0	111.8	R515 F516 L517 R637	R515-D519 WeakPolarHBondContact O-CB 3.45Å; R515-D519 PolarHBondContact O-N 3.31Å; F516-D519 PolarHBondContact O-N 3.21Å; L517-D519 VanDerWaalsContact C-N 3.33Å; L517-D519 PolarHBondContact O-N 3.19Å; D519-R637 PolarHBondContact O-NE 3.45Å; D519-R637 PolarHBondContact O-NH2 3.44Å
520	V	95.6	Very high	93.4	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-64.6	-46.1	172.3	172.2	0	0	0	0	111.2	F516 L517 A522 Y580 A634 L638 L662 L666	F516-V520 HydrophobicContact CD2-CG2 4.13Å; F516-V520 HydrophobicContact CE1-CG2 4.32Å; F516-V520 HydrophobicContact CE2-CG2 3.69Å; F516-V520 HydrophobicContact CZ-CG2 3.8Å; F516-V520 WeakPolarHBondContact O-CG2 3.23Å; F516-V520 PolarHBondContact O-N 3.09Å; L517-V520 PolarHBondContact O-N 2.95Å; V520-A522 PolarHBondContact O-N 3.1Å; V520-Y580 HydrophobicContact CG1-CD1 3.51Å; V520-Y580 HydrophobicContact CG1-CE1 3.59Å; V520-Y580 HydrophobicContact CG1-CG 4.37Å; V520-A634 WeakPolarHBondContact O-CB 3.29Å; V520-L638 HydrophobicContact CG2-CD1 3.89Å; V520-L662 HydrophobicContact CG2-CD1 4.07Å; V520-L666 HydrophobicContact CG1-CD2 4.45Å
521	F	95.8	Very high	93.2	Very high	0 Å²	0	30 Å²	30	0%	0	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.5	15.4	-175.3	-59.9	-52	0	0	0	114.7	L494 M497 L517 R518 D523 E524 F525 F576 V577 Y580	L494-F521 HydrophobicContact CD2-CD2 3.99Å; L494-F521 HydrophobicContact CD2-CE2 4.46Å; M497-F521 HydrophobicContact CE-CE2 4.35Å; L517-F521 HydrophobicContact CB-CD2 4.44Å; L517-F521 HydrophobicContact CB-CE2 4.49Å; L517-F521 HydrophobicContact CD2-CE2 4.06Å; L517-F521 WeakPolarHBondContact O-CD2 3.41Å; L517-F521 PolarHBondContact O-N 2.85Å; R518-F521 CarbonylContact O-C 3.55Å; R518-F521 PolarHBondContact O-N 2.88Å; F521-D523 PolarHBondContact O-N 3.17Å; F521-E524 HydrophobicContact CB-CB 4.23Å; F521-E524 HydrophobicContact CD1-CG 4.13Å; F521-E524 WeakPolarHBondContact O-CB 3.17Å; F521-E524 PolarHBondContact O-N 3.44Å; F521-F525 HydrophobicContact CB-CD2 3.78Å; F521-F525 HydrophobicContact CB-CE2 3.95Å; F521-F525 HydrophobicContact CG-CE2 4.22Å; F521-F525 PolarHBondContact O-N 2.93Å; F521-F525 VanDerWaalsContact O-N 3.12Å; F521-F576 HydrophobicContact CD1-CB 4.39Å; F521-F576 HydrophobicContact CE1-CB 3.78Å; F521-F576 HydrophobicContact CZ-CB 4.08Å; F521-V577 HydrophobicContact CE2-CG2 4.09Å; F521-V577 HydrophobicContact CZ-CB 4.47Å; F521-V577 HydrophobicContact CZ-CG2 3.71Å; F521-Y580 HydrophobicContact CD1-CE1 4.46Å; F521-Y580 HydrophobicContact CD1-CE2 4.11Å; F521-Y580 AromaticContact CE1-CD2 3.96Å; F521-Y580 HydrophobicContact CE1-CD2 3.96Å; F521-Y580 AromaticContact CE1-CE2 3.98Å; F521-Y580 HydrophobicContact CE1-CE2 3.98Å; F521-Y580 HydrophobicContact CE1-CG 4.24Å
522	A	93.3	Very high	93.2	Very high	33 Å²	33	28.9 Å²	28.9	27%	0.273	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-19.7	-176.9	0	0	0	0	0	114.3	R518 V520	R518-A522 WeakPolarHBondContact O-CB 3.46Å; R518-A522 PolarHBondContact O-N 3.46Å; V520-A522 PolarHBondContact O-N 3.1Å
523	D	92.7	Very high	93.2	Very high	40 Å²	40	30.8 Å²	30.8	21%	0.214	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-12	171.2	-51.2	-73.9	0	0	0	112.9	F521 N630 A633 A634 R637	F521-D523 PolarHBondContact O-N 3.17Å; D523-N630 HydrophobicContact CB-CB 4.1Å; D523-N630 PolarHBondContact O-ND2 3.27Å; D523-N630 VanDerWaalsContact O-ND2 3.13Å; D523-A633 HydrophobicContact CB-CB 4.47Å; D523-A634 WeakPolarHBondContact OD2-CA 3.25Å; D523-A634 WeakPolarHBondContact OD2-CB 3.29Å; D523-A634 PolarHBondContact OD2-N 2.98Å; D523-A634 VanDerWaalsContact OD2-N 3.16Å; D523-R637 IonicContact OD1-NH1 3.52Å; D523-R637 PolarHBondContact OD1-NH1 3.42Å; D523-R637 IonicContact OD2-CZ 3.28Å; D523-R637 IonicContact OD2-NH1 2.9Å; D523-R637 PolarHBondContact OD2-NH1 3.3Å; D523-R637 IonicContact OD2-NH2 3.33Å; D523-R637 PolarHBondContact OD2-NH2 2.97Å
524	E	93.6	Very high	93.2	Very high	5 Å²	5	35.9 Å²	35.9	2%	0.023	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-35.9	-179.5	-66.7	-70.8	-169.3	0	0	112.6	K251 F521 Y580 N630	K251-E524 IonicContact NZ-OE2 2.71Å; K251-E524 PolarHBondContact NZ-OE2 2.96Å; F521-E524 HydrophobicContact CB-CB 4.23Å; F521-E524 HydrophobicContact CD1-CG 4.13Å; F521-E524 WeakPolarHBondContact O-CB 3.17Å; F521-E524 PolarHBondContact O-N 3.44Å; E524-Y580 HydrophobicContact CG-CE2 4.11Å; E524-Y580 VanDerWaalsContact CG-OH 3.23Å; E524-Y580 WeakPolarHBondContact CG-OH 3.49Å; E524-Y580 WeakPolarHBondContact OE1-CE2 3.38Å; E524-Y580 PolarHBondContact OE1-OH 3.11Å; E524-N630 VanDerWaalsContact CD-CB 3.49Å; E524-N630 HydrophobicContact CG-CB 4.17Å; E524-N630 WeakPolarHBondContact OE1-CB 3.18Å; E524-N630 PolarHBondContact OE2-ND2 3.22Å
525	F	94.1	Very high	93.1	Very high	3 Å²	3	36.1 Å²	36.1	1%	0.013	20%	0.201	C	C	.	.	S	Bend	trans	-132.5	157.8	-174.4	-50.8	-65.3	0	0	0	112.2	L486 V490 F521 F527 F573 F576	L486-F525 HydrophobicContact CB-CD1 4.43Å; L486-F525 HydrophobicContact CB-CE1 3.89Å; L486-F525 HydrophobicContact CD1-CE1 3.82Å; L486-F525 HydrophobicContact CD1-CZ 4.38Å; L486-F525 HydrophobicContact CG-CE1 4.43Å; V490-F525 HydrophobicContact CB-CG 4.46Å; V490-F525 HydrophobicContact CG2-CB 3.93Å; V490-F525 HydrophobicContact CG2-CD1 4.38Å; V490-F525 HydrophobicContact CG2-CD2 3.69Å; V490-F525 HydrophobicContact CG2-CE2 4.36Å; V490-F525 HydrophobicContact CG2-CG 3.72Å; F521-F525 HydrophobicContact CB-CD2 3.78Å; F521-F525 HydrophobicContact CB-CE2 3.95Å; F521-F525 HydrophobicContact CG-CE2 4.22Å; F521-F525 PolarHBondContact O-N 2.93Å; F521-F525 VanDerWaalsContact O-N 3.12Å; F525-F527 HydrophobicContact CB-CE2 3.79Å; F525-F527 HydrophobicContact CB-CZ 3.98Å; F525-F527 PolarHBondContact O-N 3.04Å; F525-F573 HydrophobicContact CD1-CE1 4.5Å; F525-F573 HydrophobicContact CD2-CE1 4.25Å; F525-F573 AromaticContact CE1-CE1 3.86Å; F525-F573 HydrophobicContact CE1-CE1 3.86Å; F525-F573 AromaticContact CE2-CD1 3.9Å; F525-F573 HydrophobicContact CE2-CD1 3.9Å; F525-F573 AromaticContact CE2-CE1 3.57Å; F525-F573 HydrophobicContact CE2-CE1 3.57Å; F525-F573 AromaticContact CZ-CD1 3.81Å; F525-F573 HydrophobicContact CZ-CD1 3.81Å; F525-F573 AromaticContact CZ-CE1 3.34Å; F525-F573 HydrophobicContact CZ-CE1 3.34Å; F525-F573 HydrophobicContact CZ-CZ 4.37Å; F525-F576 HydrophobicContact CE1-CZ 4.36Å; F525-F576 HydrophobicContact CZ-CD1 4.17Å; F525-F576 HydrophobicContact CZ-CD2 4.02Å; F525-F576 HydrophobicContact CZ-CE1 4.1Å; F525-F576 AromaticContact CZ-CE2 3.96Å; F525-F576 HydrophobicContact CZ-CE2 3.96Å; F525-F576 HydrophobicContact CZ-CG 4.14Å; F525-F576 HydrophobicContact CZ-CZ 4.02Å
526	I	91.9	Very high	93.1	Very high	2 Å²	2	30.2 Å²	30.2	1%	0.01	18%	0.179	C	C	.	.			trans	-89.3	111.6	-176.3	-53.2	-55.4	0	0	0	110.7	T252 T254 Y371 E374 L375	T252-I526 HydrophobicContact CG2-CD1 4.38Å; T252-I526 HydrophobicContact CG2-CG1 3.84Å; T254-I526 HydrophobicContact CG2-CD1 4.18Å; Y371-I526 HydrophobicContact CD1-CG2 3.78Å; Y371-I526 HydrophobicContact CE1-CG2 4.24Å; E374-I526 HydrophobicContact CB-CG2 4.46Å; L375-I526 HydrophobicContact CD2-CB 4.5Å; L375-I526 HydrophobicContact CD2-CG2 4.02Å; L375-I526 HydrophobicContact CG-CG2 4.23Å
527	F	91.7	Very high	93.2	Very high	14 Å²	14	31.8 Å²	31.8	6%	0.061	19%	0.187	C	C	.	.			trans	-118.5	138.7	172.1	-57.7	-74.6	0	0	0	110.3	Y371 V490 L494 R518 F525 P529	Y371-F527 WeakPolarHBondContact CD1-O 3.46Å; V490-F527 HydrophobicContact CG1-CE1 4.38Å; V490-F527 HydrophobicContact CG2-CE1 3.98Å; V490-F527 HydrophobicContact CG2-CZ 3.58Å; L494-F527 HydrophobicContact CD1-CE1 4.24Å; L494-F527 HydrophobicContact CD1-CZ 3.83Å; R518-F527 HydrophobicContact CG-CD1 4.17Å; R518-F527 HydrophobicContact CG-CD2 4.03Å; R518-F527 HydrophobicContact CG-CE1 4.19Å; R518-F527 HydrophobicContact CG-CE2 4.02Å; R518-F527 HydrophobicContact CG-CG 4.09Å; R518-F527 HydrophobicContact CG-CZ 4.11Å; F525-F527 HydrophobicContact CB-CE2 3.79Å; F525-F527 HydrophobicContact CB-CZ 3.98Å; F525-F527 PolarHBondContact O-N 3.04Å; F527-P529 WeakPolarHBondContact O-CD 3.45Å
528	L	89.3	Confident	93.1	Very high	26 Å²	26	34.2 Å²	34.2	14%	0.136	20%	0.198	C	C	.	.			trans	-69.1	128.3	173.5	-166	70	0	0	0	109.3	E368 L375 R518 G530 N531	E368-L528 HydrophobicContact CG-CD1 4.37Å; L375-L528 HydrophobicContact CD1-CB 4.24Å; R518-L528 PolarHBondContact NH2-O 2.88Å; L528-G530 PolarHBondContact O-N 3.36Å; L528-N531 HydrophobicContact CB-CB 4.11Å; L528-N531 WeakPolarHBondContact CD2-ND2 3.48Å; L528-N531 PolarHBondContact O-N 2.96Å
529	P	86.3	Confident	93.1	Very high	72 Å²	72	33.3 Å²	33.3	47%	0.468	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	136.2	176.4	-27.3	36.1	0	0	0	111.8	T367 Y371 F527 N531	T367-P529 HydrophobicContact CG2-CG 4.37Å; Y371-P529 HydrophobicContact CD2-CG 4.11Å; Y371-P529 HydrophobicContact CE2-CG 4.07Å; F527-P529 WeakPolarHBondContact O-CD 3.45Å; P529-N531 VanDerWaalsContact C-N 3.31Å; P529-N531 PolarHBondContact O-N 2.68Å
530	G	85.6	Confident	93.3	Very high	76 Å²	76	30.9 Å²	30.9	78%	0.784	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.6	-2.8	179.6	0	0	0	0	0	116.4	L528	L528-G530 PolarHBondContact O-N 3.36Å
531	N	90.4	Very high	93.3	Very high	41 Å²	41	35.1 Å²	35.1	22%	0.219	20%	0.199	C	C	.	.			trans	-98.8	20.5	-174.9	-88.1	8.1	0	0	0	115.9	L528 P529 L533 K534 D535	L528-N531 HydrophobicContact CB-CB 4.11Å; L528-N531 WeakPolarHBondContact CD2-ND2 3.48Å; L528-N531 PolarHBondContact O-N 2.96Å; P529-N531 VanDerWaalsContact C-N 3.31Å; P529-N531 PolarHBondContact O-N 2.68Å; N531-L533 VanDerWaalsContact C-N 3.32Å; N531-L533 PolarHBondContact O-N 2.86Å; N531-L533 VanDerWaalsContact O-N 3.14Å; N531-K534 HydrophobicContact CB-CB 4.36Å; N531-K534 WeakPolarHBondContact O-CA 3.33Å; N531-K534 WeakPolarHBondContact O-CB 3.44Å; N531-K534 PolarHBondContact O-N 3.28Å; N531-D535 PolarHBondContact O-N 2.96Å
532	T	93.8	Very high	93.3	Very high	16 Å²	16	35.8 Å²	35.8	10%	0.098	20%	0.203	C	C	.	.	H	α-helix	trans	-48.2	-47.8	-174.7	-48.8	0	0	0	0	114.3	Y511 R515 R518 D535 F536	Y511-T532 HydrophobicContact CE2-CG2 4.16Å; R515-T532 HydrophobicContact CB-CG2 4.18Å; R515-T532 HydrophobicContact CG-CG2 3.92Å; R518-T532 PolarHBondContact NH1-OG1 3.49Å; T532-D535 PolarHBondContact O-N 3.49Å; T532-F536 PolarHBondContact O-N 3.08Å; T532-F536 VanDerWaalsContact O-N 3.1Å
533	L	94.6	Very high	93.4	Very high	85 Å²	85	34.2 Å²	34.2	45%	0.445	19%	0.19	S	C	.	.	H	α-helix	trans	-65.6	-40.4	-179.7	-179.4	61.9	0	0	0	111.7	Y511 N531 F536 E537	Y511-L533 HydrophobicContact CE2-CD1 4.03Å; N531-L533 VanDerWaalsContact C-N 3.32Å; N531-L533 PolarHBondContact O-N 2.86Å; N531-L533 VanDerWaalsContact O-N 3.14Å; L533-F536 WeakPolarHBondContact O-CB 3.07Å; L533-F536 PolarHBondContact O-N 2.87Å; L533-E537 HydrophobicContact CD1-CG 4.32Å; L533-E537 HydrophobicContact CG-CG 4.42Å; L533-E537 WeakPolarHBondContact O-CB 3.38Å; L533-E537 WeakPolarHBondContact O-CG 3.29Å; L533-E537 PolarHBondContact O-N 2.9Å
534	K	94.1	Very high	93.6	Very high	107 Å²	107	34.8 Å²	34.8	47%	0.465	20%	0.196	S	C	.	.	H	α-helix	trans	-66	-40.2	177.6	-66.4	-178	-178.5	170.7	0	111.7	N531 F536 E537 E538	N531-K534 HydrophobicContact CB-CB 4.36Å; N531-K534 WeakPolarHBondContact O-CA 3.33Å; N531-K534 WeakPolarHBondContact O-CB 3.44Å; N531-K534 PolarHBondContact O-N 3.28Å; K534-F536 VanDerWaalsContact C-N 3.28Å; K534-F536 PolarHBondContact O-N 3.38Å; K534-E537 PolarHBondContact O-N 2.78Å; K534-E538 VanDerWaalsContact O-CB 3.27Å; K534-E538 WeakPolarHBondContact O-CB 3.48Å; K534-E538 PolarHBondContact O-N 3.06Å
535	D	95.1	Very high	93.5	Very high	5 Å²	5	38.8 Å²	38.8	3%	0.027	21%	0.213	C	C	.	.	H	α-helix	trans	-61.6	-38.7	175.2	-68.3	-45.9	0	0	0	110.8	R491 F514 R518 N531 T532 G539	R491-D535 HydrophobicContact CG-CB 4.36Å; R491-D535 IonicContact CZ-OD1 3Å; R491-D535 IonicContact NE-OD1 3.95Å; R491-D535 IonicContact NH2-OD1 2.82Å; R491-D535 PolarHBondContact NH2-OD1 3.07Å; R491-D535 VanDerWaalsContact NH2-OD1 3.11Å; F514-D535 HydrophobicContact CE1-CB 4.2Å; F514-D535 HydrophobicContact CZ-CB 3.91Å; R518-D535 IonicContact CZ-OD2 3.24Å; R518-D535 IonicContact NE-OD2 3.18Å; R518-D535 PolarHBondContact NE-OD2 3.17Å; R518-D535 IonicContact NH2-OD2 2.72Å; R518-D535 PolarHBondContact NH2-OD2 3.32Å; N531-D535 PolarHBondContact O-N 2.96Å; T532-D535 PolarHBondContact O-N 3.49Å; D535-G539 PolarHBondContact O-N 3.25Å
536	F	96.9	Very high	93.4	Very high	1 Å²	1	40 Å²	40	0%	0.004	22%	0.222	C	C	.	.	H	α-helix	trans	-68.4	-45.7	176	177	-110.3	0	0	0	112.6	V495 K507 V510 Y511 F514 T532 L533 K534 E538 G539 C540	V495-F536 HydrophobicContact CG2-CD2 3.87Å; V495-F536 HydrophobicContact CG2-CE2 4.03Å; K507-F536 HydrophobicContact CG-CE1 4.2Å; K507-F536 HydrophobicContact CG-CZ 4.37Å; V510-F536 HydrophobicContact CG1-CE2 3.99Å; V510-F536 HydrophobicContact CG1-CZ 4.3Å; Y511-F536 HydrophobicContact CD2-CB 3.79Å; Y511-F536 AromaticContact CD2-CD1 3.61Å; Y511-F536 HydrophobicContact CD2-CD1 3.61Å; Y511-F536 HydrophobicContact CD2-CD2 4.06Å; Y511-F536 HydrophobicContact CD2-CE1 4.16Å; Y511-F536 AromaticContact CD2-CG 3.54Å; Y511-F536 HydrophobicContact CD2-CG 3.54Å; Y511-F536 HydrophobicContact CE2-CB 3.93Å; Y511-F536 HydrophobicContact CE2-CD1 4.34Å; Y511-F536 HydrophobicContact CE2-CG 4.19Å; Y511-F536 HydrophobicContact CG-CD1 4.34Å; Y511-F536 HydrophobicContact CG-CE1 4.48Å; F514-F536 HydrophobicContact CB-CD2 3.85Å; F514-F536 HydrophobicContact CB-CE2 4.26Å; F514-F536 HydrophobicContact CD1-CB 3.77Å; F514-F536 AromaticContact CD1-CD2 3.93Å; F514-F536 HydrophobicContact CD1-CD2 3.93Å; F514-F536 HydrophobicContact CD1-CG 4.28Å; F514-F536 AromaticContact CD2-CD2 3.87Å; F514-F536 HydrophobicContact CD2-CD2 3.87Å; F514-F536 HydrophobicContact CE1-CB 3.66Å; F514-F536 HydrophobicContact CE1-CD2 4.48Å; F514-F536 HydrophobicContact CE2-CD2 4.4Å; F514-F536 HydrophobicContact CG-CB 4.3Å; F514-F536 AromaticContact CG-CD2 3.61Å; F514-F536 HydrophobicContact CG-CD2 3.61Å; F514-F536 HydrophobicContact CG-CE2 4.45Å; F514-F536 HydrophobicContact CG-CG 4.4Å; F514-F536 HydrophobicContact CZ-CB 4.07Å; T532-F536 PolarHBondContact O-N 3.08Å; T532-F536 VanDerWaalsContact O-N 3.1Å; L533-F536 WeakPolarHBondContact O-CB 3.07Å; L533-F536 PolarHBondContact O-N 2.87Å; K534-F536 VanDerWaalsContact C-N 3.28Å; K534-F536 PolarHBondContact O-N 3.38Å; F536-E538 VanDerWaalsContact C-N 3.32Å; F536-E538 PolarHBondContact O-N 2.95Å; F536-G539 PolarHBondContact O-N 2.8Å; F536-C540 VanDerWaalsContact CZ-SG 3.59Å; F536-C540 WeakPolarHBondContact O-CB 3.44Å; F536-C540 PolarHBondContact O-N 2.74Å; F536-C540 PolarHBondContact O-SG 3.48Å
537	E	95.8	Very high	93.5	Very high	63 Å²	63	45.2 Å²	45.2	29%	0.294	25%	0.247	S	C	.	.	H	α-helix	trans	-63.2	-39.3	177.7	-73.6	177	159.9	0	0	111.5	L533 K534 C540 Y541	L533-E537 HydrophobicContact CD1-CG 4.32Å; L533-E537 HydrophobicContact CG-CG 4.42Å; L533-E537 WeakPolarHBondContact O-CB 3.38Å; L533-E537 WeakPolarHBondContact O-CG 3.29Å; L533-E537 PolarHBondContact O-N 2.9Å; K534-E537 PolarHBondContact O-N 2.78Å; E537-C540 PolarHBondContact O-N 3.34Å; E537-Y541 VanDerWaalsContact O-CB 3.25Å; E537-Y541 WeakPolarHBondContact O-CB 3.22Å; E537-Y541 PolarHBondContact O-N 3.31Å
538	E	94.8	Very high	93.6	Very high	50 Å²	50	44.6 Å²	44.6	23%	0.234	24%	0.244	C	C	.	.	H	α-helix	trans	-62.7	-47.5	173.6	-177.1	178.3	-173.9	0	0	111.5	Y25 R491 K534 F536 C540 Y541 L542	Y25-E538 HydrophobicContact CE1-CB 4.19Å; Y25-E538 HydrophobicContact CE1-CG 4.23Å; R491-E538 VanDerWaalsContact CD-OE2 3.31Å; R491-E538 WeakPolarHBondContact CD-OE2 3.29Å; R491-E538 IonicContact NE-OE1 3.5Å; R491-E538 IonicContact NE-OE2 2.82Å; R491-E538 PolarHBondContact NE-OE2 3.27Å; K534-E538 VanDerWaalsContact O-CB 3.27Å; K534-E538 WeakPolarHBondContact O-CB 3.48Å; K534-E538 PolarHBondContact O-N 3.06Å; F536-E538 VanDerWaalsContact C-N 3.32Å; F536-E538 PolarHBondContact O-N 2.95Å; E538-C540 VanDerWaalsContact C-N 3.34Å; E538-C540 PolarHBondContact O-N 2.73Å; E538-Y541 PolarHBondContact O-N 3.36Å; E538-L542 HydrophobicContact CG-CD1 4.41Å; E538-L542 WeakPolarHBondContact O-CG 3.27Å; E538-L542 PolarHBondContact O-N 3.16Å
539	G	96.6	Very high	93.9	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-58.7	-44.6	175.8	0	0	0	0	0	112.5	D535 F536 L543	D535-G539 PolarHBondContact O-N 3.25Å; F536-G539 PolarHBondContact O-N 2.8Å; G539-L543 WeakPolarHBondContact O-CG 3.18Å; G539-L543 PolarHBondContact O-N 3.24Å
540	C	96.8	Very high	94.2	Very high	10 Å²	10	45.9 Å²	45.9	7%	0.068	24%	0.243	C	C	.	.	H	α-helix	trans	-61.2	-45.2	173.9	-71.2	0	0	0	0	112.2	F536 E537 E538 L542 L543 C544 I549 V551	F536-C540 VanDerWaalsContact CZ-SG 3.59Å; F536-C540 WeakPolarHBondContact O-CB 3.44Å; F536-C540 PolarHBondContact O-N 2.74Å; F536-C540 PolarHBondContact O-SG 3.48Å; E537-C540 PolarHBondContact O-N 3.34Å; E538-C540 VanDerWaalsContact C-N 3.34Å; E538-C540 PolarHBondContact O-N 2.73Å; C540-L542 PolarHBondContact O-N 2.88Å; C540-L543 PolarHBondContact O-N 3.23Å; C540-C544 WeakPolarHBondContact O-CB 3.35Å; C540-C544 PolarHBondContact O-N 3.27Å; C540-C544 PolarHBondContact O-SG 2.94Å; C540-C544 VanDerWaalsContact O-SG 3.35Å; C540-I549 HydrophobicContact CB-CD1 4.44Å; C540-V551 HydrophobicContact CB-CG2 4.15Å
541	Y	96	Very high	94.5	Very high	89 Å²	89	44.7 Å²	44.7	35%	0.349	22%	0.221	S	C	.	.	H	α-helix	trans	-60.8	-46.1	-179.7	169.2	-97	0	0	0	111.6	Y25 E537 E538 L543 C544 K545	Y25-Y541 PolarHBondContact O-OH 3.43Å; Y25-Y541 VanDerWaalsContact O-OH 3.09Å; E537-Y541 VanDerWaalsContact O-CB 3.25Å; E537-Y541 WeakPolarHBondContact O-CB 3.22Å; E537-Y541 PolarHBondContact O-N 3.31Å; E538-Y541 PolarHBondContact O-N 3.36Å; Y541-L543 PolarHBondContact O-N 3.04Å; Y541-C544 PolarHBondContact O-N 3.4Å; Y541-K545 HydrophobicContact CE1-CD 4.37Å; Y541-K545 WeakPolarHBondContact O-CB 3.4Å; Y541-K545 PolarHBondContact O-N 3.28Å
542	L	95.8	Very high	94.6	Very high	14 Å²	14	45.7 Å²	45.7	7%	0.073	23%	0.228	C	C	.	.	H	α-helix	trans	-62.1	-43	178.5	-69.5	179.9	0	0	0	111.9	F419 P492 E538 C540 K545 S546	F419-L542 HydrophobicContact CB-CD1 4.4Å; F419-L542 HydrophobicContact CD1-CB 3.93Å; F419-L542 HydrophobicContact CD1-CD2 4.33Å; F419-L542 HydrophobicContact CE1-CB 3.97Å; F419-L542 VanDerWaalsContact CE1-O 3.32Å; F419-L542 WeakPolarHBondContact CE1-O 3.47Å; F419-L542 HydrophobicContact CG-CB 4.39Å; F419-L542 HydrophobicContact CG-CD1 4.37Å; F419-L542 HydrophobicContact CZ-CB 4.45Å; P492-L542 HydrophobicContact CG-CD1 4.26Å; E538-L542 HydrophobicContact CG-CD1 4.41Å; E538-L542 WeakPolarHBondContact O-CG 3.27Å; E538-L542 PolarHBondContact O-N 3.16Å; C540-L542 PolarHBondContact O-N 2.88Å; L542-K545 WeakPolarHBondContact O-CB 3.49Å; L542-K545 PolarHBondContact O-N 2.82Å; L542-S546 PolarHBondContact O-N 3.25Å; L542-S546 VanDerWaalsContact O-N 3.09Å; L542-S546 PolarHBondContact O-OG 2.69Å
543	L	96.4	Very high	94.2	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-67.7	-35.7	176.4	-69.9	171.7	0	0	0	112.9	F419 P492 V495 G539 C540 Y541 S546 E547 A548 I549 V565 L566 L569	F419-L543 HydrophobicContact CZ-CD2 4.26Å; P492-L543 HydrophobicContact CB-CD1 4.27Å; P492-L543 HydrophobicContact CB-CD2 3.94Å; P492-L543 HydrophobicContact CB-CG 3.78Å; V495-L543 HydrophobicContact CB-CD1 3.84Å; V495-L543 HydrophobicContact CG1-CD1 3.66Å; G539-L543 WeakPolarHBondContact O-CG 3.18Å; G539-L543 PolarHBondContact O-N 3.24Å; C540-L543 PolarHBondContact O-N 3.23Å; Y541-L543 PolarHBondContact O-N 3.04Å; L543-S546 PolarHBondContact O-OG 3.38Å; L543-E547 PolarHBondContact O-N 2.68Å; L543-A548 HydrophobicContact CB-CB 4.42Å; L543-A548 HydrophobicContact CD2-CB 4.07Å; L543-A548 WeakPolarHBondContact O-CB 3.43Å; L543-A548 PolarHBondContact O-N 3.34Å; L543-I549 HydrophobicContact CB-CB 4.44Å; L543-I549 HydrophobicContact CB-CD1 3.5Å; L543-I549 VanDerWaalsContact CB-CD1 3.5Å; L543-I549 HydrophobicContact CB-CG1 3.58Å; L543-I549 HydrophobicContact CB-CG2 4.19Å; L543-I549 HydrophobicContact CD1-CD1 3.94Å; L543-I549 HydrophobicContact CD1-CG2 4.34Å; L543-I549 HydrophobicContact CG-CD1 4.38Å; L543-I549 PolarHBondContact O-N 3.4Å; L543-V565 HydrophobicContact CD2-CG1 4.2Å; L543-L566 HydrophobicContact CD2-CD1 4.31Å; L543-L569 HydrophobicContact CD2-CD1 3.55Å
544	C	95.1	Very high	93.9	Very high	51 Å²	51	57.3 Å²	57.3	35%	0.345	28%	0.279	S	S	.	.	H	α-helix	trans	-65.1	-42.2	171.8	-75.7	0	0	0	0	111.1	C540 Y541 S546 E547	C540-C544 WeakPolarHBondContact O-CB 3.35Å; C540-C544 PolarHBondContact O-N 3.27Å; C540-C544 PolarHBondContact O-SG 2.94Å; C540-C544 VanDerWaalsContact O-SG 3.35Å; Y541-C544 PolarHBondContact O-N 3.4Å; C544-S546 VanDerWaalsContact C-N 3.26Å; C544-S546 PolarHBondContact O-N 3.26Å; C544-E547 PolarHBondContact O-N 3.36Å
545	K	92.2	Very high	93.9	Very high	89 Å²	89	54.9 Å²	54.9	39%	0.387	27%	0.271	S	S	.	.	H	α-helix	trans	-62.7	-32.4	179.4	-175	-176.4	175.2	-166.7	0	112.2	A418 Y541 L542 E547	A418-K545 PolarHBondContact O-NZ 2.86Å; Y541-K545 HydrophobicContact CE1-CD 4.37Å; Y541-K545 WeakPolarHBondContact O-CB 3.4Å; Y541-K545 PolarHBondContact O-N 3.28Å; L542-K545 WeakPolarHBondContact O-CB 3.49Å; L542-K545 PolarHBondContact O-N 2.82Å; K545-E547 VanDerWaalsContact C-N 3.28Å
546	S	91.9	Very high	93.8	Very high	28 Å²	28	54.6 Å²	54.6	20%	0.196	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	11.9	173.2	62.3	0	0	0	0	114.2	L542 L543 C544 A548	L542-S546 PolarHBondContact O-N 3.25Å; L542-S546 VanDerWaalsContact O-N 3.09Å; L542-S546 PolarHBondContact O-OG 2.69Å; L543-S546 PolarHBondContact O-OG 3.38Å; C544-S546 VanDerWaalsContact C-N 3.26Å; C544-S546 PolarHBondContact O-N 3.26Å; S546-A548 PolarHBondContact O-N 2.64Å; S546-A548 VanDerWaalsContact O-N 3.08Å
547	E	93.4	Very high	93.6	Very high	113 Å²	113	57.9 Å²	57.9	53%	0.528	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.3	17	-175.8	-55.4	178.7	179.5	0	0	114.2	L543 C544 K545 T559 K561	L543-E547 PolarHBondContact O-N 2.68Å; C544-E547 PolarHBondContact O-N 3.36Å; K545-E547 VanDerWaalsContact C-N 3.28Å; E547-T559 WeakPolarHBondContact O-CB 3.5Å; E547-T559 VanDerWaalsContact O-CG2 3.31Å; E547-T559 WeakPolarHBondContact O-CG2 3.5Å; E547-T559 PolarHBondContact O-OG1 2.99Å; E547-K561 IonicContact OE2-NZ 2.84Å; E547-K561 PolarHBondContact OE2-NZ 2.99Å
548	A	94.2	Very high	93.4	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	29%	0.285	C	S	.	.	S	Bend	trans	-77.6	-31.2	-175.8	0	0	0	0	0	112.7	L543 S546 T559 G562 V565 L566	L543-A548 HydrophobicContact CB-CB 4.42Å; L543-A548 HydrophobicContact CD2-CB 4.07Å; L543-A548 WeakPolarHBondContact O-CB 3.43Å; L543-A548 PolarHBondContact O-N 3.34Å; S546-A548 PolarHBondContact O-N 2.64Å; S546-A548 VanDerWaalsContact O-N 3.08Å; A548-T559 PolarHBondContact O-N 3.37Å; A548-T559 VanDerWaalsContact O-N 3.11Å; A548-T559 PolarHBondContact O-OG1 3.16Å; A548-G562 VanDerWaalsContact CA-CA 3.5Å; A548-G562 VanDerWaalsContact O-CA 3.31Å; A548-G562 WeakPolarHBondContact O-CA 3.45Å; A548-V565 HydrophobicContact CB-CB 3.98Å; A548-V565 HydrophobicContact CB-CG1 3.95Å; A548-V565 HydrophobicContact CB-CG2 4.29Å; A548-L566 HydrophobicContact CB-CD1 4.06Å
549	I	95.4	Very high	93.3	Very high	4 Å²	4	55.9 Å²	55.9	2%	0.021	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	163.7	177.8	71.7	179.2	0	0	0	111.5	L499 C540 L543 V551 V556 L557 L566	L499-I549 HydrophobicContact CD1-CG2 4.2Å; C540-I549 HydrophobicContact CB-CD1 4.44Å; L543-I549 HydrophobicContact CB-CB 4.44Å; L543-I549 HydrophobicContact CB-CD1 3.5Å; L543-I549 VanDerWaalsContact CB-CD1 3.5Å; L543-I549 HydrophobicContact CB-CG1 3.58Å; L543-I549 HydrophobicContact CB-CG2 4.19Å; L543-I549 HydrophobicContact CD1-CD1 3.94Å; L543-I549 HydrophobicContact CD1-CG2 4.34Å; L543-I549 HydrophobicContact CG-CD1 4.38Å; L543-I549 PolarHBondContact O-N 3.4Å; I549-V551 HydrophobicContact CD1-CG2 3.79Å; I549-V551 HydrophobicContact CG1-CG2 4.24Å; I549-V556 HydrophobicContact CB-CG1 4.46Å; I549-V556 HydrophobicContact CD1-CG1 3.88Å; I549-L557 CarbonylContact C-O 3.22Å; I549-L557 WeakPolarHBondContact CA-O 3.46Å; I549-L557 WeakPolarHBondContact CB-O 3.26Å; I549-L566 HydrophobicContact CG2-CD1 4.23Å
550	Q	93.6	Very high	92.9	Very high	121 Å²	121	64.4 Å²	64.4	57%	0.565	32%	0.322	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.3	122.1	166.2	-66.2	178.4	6.5	0	0	109.2	L557 T559	Q550-L557 PolarHBondContact N-O 3.17Å; Q550-L557 PolarHBondContact O-N 3.31Å; Q550-T559 HydrophobicContact CG-CG2 3.96Å
551	V	91.9	Very high	92.1	Very high	52 Å²	52	70.6 Å²	70.6	32%	0.315	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	118.4	178.7	-179.2	0	0	0	0	109.5	K507 C540 I549 V556	K507-V551 HydrophobicContact CD-CG1 4.42Å; C540-V551 HydrophobicContact CB-CG2 4.15Å; I549-V551 HydrophobicContact CD1-CG2 3.79Å; I549-V551 HydrophobicContact CG1-CG2 4.24Å; V551-V556 HydrophobicContact CG2-CG1 4.31Å; V551-V556 HydrophobicContact CG2-CG2 4.46Å
552	T	91.1	Very high	91.8	Very high	62 Å²	62	66.4 Å²	66.4	38%	0.38	33%	0.331	S	S	.	.			trans	-99	-179.1	170.7	71.8	0	0	0	0	110.3	K554 D555	T552-K554 PolarHBondContact O-N 2.87Å; T552-K554 PolarHBondContact OG1-N 3.42Å; T552-D555 PolarHBondContact N-O 3.45Å; T552-D555 WeakPolarHBondContact OG1-CA 3.28Å; T552-D555 PolarHBondContact OG1-N 2.89Å; T552-D555 PolarHBondContact OG1-O 3.37Å
553	M	85.9	Confident	91.5	Very high	183 Å²	183	70.3 Å²	70.3	90%	0.901	35%	0.352	S	S	*	.	S	Bend	trans	-62	-27.6	175.4	-70.8	-65.7	-75	0	0	113.2
554	K	89.5	Confident	91.4	Very high	162 Å²	162	74.1 Å²	74.1	70%	0.704	38%	0.376	S	S	*	.	S	Bend	trans	-117.4	-30.1	-173.8	-68	-174.4	179.5	179.3	0	113.7	K507 T552	K507-K554 WeakPolarHBondContact CB-O 3.25Å; K507-K554 PolarHBondContact N-O 2.78Å; T552-K554 PolarHBondContact O-N 2.87Å; T552-K554 PolarHBondContact OG1-N 3.42Å
555	D	93	Very high	91.4	Very high	55 Å²	55	72.1 Å²	72.1	29%	0.294	36%	0.362	S	S	.	.	B	Isolated β-bridge	trans	-131.6	153.1	-167.7	-55.2	-56.4	0	0	0	112.8	F505 T552 L557	F505-D555 HydrophobicContact CB-CB 4.46Å; F505-D555 CarbonylContact O-C 3.59Å; F505-D555 WeakPolarHBondContact O-CA 3.33Å; F505-D555 WeakPolarHBondContact O-CB 3.22Å; T552-D555 PolarHBondContact N-O 3.45Å; T552-D555 WeakPolarHBondContact OG1-CA 3.28Å; T552-D555 PolarHBondContact OG1-N 2.89Å; T552-D555 PolarHBondContact OG1-O 3.37Å; D555-L557 HydrophobicContact CB-CD2 4.2Å; D555-L557 HydrophobicContact CB-CG 4.42Å
556	V	92.9	Very high	91.6	Very high	0 Å²	0	68.5 Å²	68.5	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	101.4	174.7	-177.5	0	0	0	0	107.5	L499 F505 K507 I549 V551	L499-V556 HydrophobicContact CD1-CG1 4.05Å; L499-V556 HydrophobicContact CD2-CB 4.01Å; L499-V556 HydrophobicContact CD2-CG1 3.82Å; L499-V556 HydrophobicContact CG-CG1 4.41Å; F505-V556 WeakPolarHBondContact CB-O 3.06Å; F505-V556 WeakPolarHBondContact CD1-O 3.27Å; F505-V556 PolarHBondContact O-N 2.95Å; K507-V556 HydrophobicContact CB-CG2 4.02Å; K507-V556 HydrophobicContact CG-CG2 4.09Å; I549-V556 HydrophobicContact CB-CG1 4.46Å; I549-V556 HydrophobicContact CD1-CG1 3.88Å; V551-V556 HydrophobicContact CG2-CG1 4.31Å; V551-V556 HydrophobicContact CG2-CG2 4.46Å
557	L	92.6	Very high	91.8	Very high	69 Å²	69	74 Å²	74	36%	0.361	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	138.1	-172.8	-57.4	175.8	0	0	0	110.9	F505 I549 Q550 D555	F505-L557 HydrophobicContact CB-CD2 3.94Å; F505-L557 HydrophobicContact CD2-CD2 4.34Å; F505-L557 HydrophobicContact CG-CD2 4.12Å; I549-L557 CarbonylContact C-O 3.22Å; I549-L557 WeakPolarHBondContact CA-O 3.46Å; I549-L557 WeakPolarHBondContact CB-O 3.26Å; Q550-L557 PolarHBondContact N-O 3.17Å; Q550-L557 PolarHBondContact O-N 3.31Å; D555-L557 HydrophobicContact CB-CD2 4.2Å; D555-L557 HydrophobicContact CB-CG 4.42Å
558	V	92.9	Very high	91.9	Very high	43 Å²	43	69.2 Å²	69.2	26%	0.261	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	133.8	176.6	-176.4	0	0	0	0	109.7	L499 F505 L566	L499-V558 HydrophobicContact CD1-CG2 4.26Å; F505-V558 HydrophobicContact CE1-CG2 4.3Å; V558-L566 HydrophobicContact CB-CD2 4.41Å; V558-L566 HydrophobicContact CG1-CD2 3.84Å; V558-L566 HydrophobicContact CG2-CD2 3.6Å
559	T	92.3	Very high	92.1	Very high	29 Å²	29	69.2 Å²	69.2	18%	0.178	35%	0.347	C	S	.	.	P	Polyproline II helix	trans	-86.7	165.7	175.6	72.5	0	0	0	0	110.9	E547 A548 Q550 K561 G562 N563	E547-T559 WeakPolarHBondContact O-CB 3.5Å; E547-T559 VanDerWaalsContact O-CG2 3.31Å; E547-T559 WeakPolarHBondContact O-CG2 3.5Å; E547-T559 PolarHBondContact O-OG1 2.99Å; A548-T559 PolarHBondContact O-N 3.37Å; A548-T559 VanDerWaalsContact O-N 3.11Å; A548-T559 PolarHBondContact O-OG1 3.16Å; Q550-T559 HydrophobicContact CG-CG2 3.96Å; T559-K561 PolarHBondContact O-N 2.67Å; T559-G562 WeakPolarHBondContact O-CA 3.46Å; T559-G562 PolarHBondContact O-N 2.87Å; T559-G562 PolarHBondContact OG1-N 3.41Å; T559-N563 PolarHBondContact O-N 3.2Å
560	E	87	Confident	92.1	Very high	178 Å²	178	70 Å²	70	83%	0.832	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-44.6	176.8	-68	-177.2	170.8	0	0	112.7	G562 N563	E560-G562 PolarHBondContact O-N 3.25Å; E560-N563 PolarHBondContact O-N 2.82Å; E560-N563 PolarHBondContact O-ND2 3.04Å
561	K	80.6	Confident	92.2	Very high	141 Å²	141	65.4 Å²	65.4	61%	0.613	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-27.6	173.6	-64.2	-175.8	-172.7	172	0	112.4	E547 T559 N563	E547-K561 IonicContact OE2-NZ 2.84Å; E547-K561 PolarHBondContact OE2-NZ 2.99Å; T559-K561 PolarHBondContact O-N 2.67Å; K561-N563 VanDerWaalsContact C-N 3.26Å; K561-N563 PolarHBondContact O-N 3.22Å
562	G	89.1	Confident	92.4	Very high	0 Å²	0	63 Å²	63	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-63.8	-28.2	-179.8	0	0	0	0	0	114	A548 T559 E560 T564 V565 L566	A548-G562 VanDerWaalsContact CA-CA 3.5Å; A548-G562 VanDerWaalsContact O-CA 3.31Å; A548-G562 WeakPolarHBondContact O-CA 3.45Å; T559-G562 WeakPolarHBondContact O-CA 3.46Å; T559-G562 PolarHBondContact O-N 2.87Å; T559-G562 PolarHBondContact OG1-N 3.41Å; E560-G562 PolarHBondContact O-N 3.25Å; G562-T564 VanDerWaalsContact C-N 3.35Å; G562-T564 PolarHBondContact O-N 2.77Å; G562-V565 PolarHBondContact O-N 2.83Å; G562-L566 WeakPolarHBondContact O-CB 3.47Å; G562-L566 VanDerWaalsContact O-CD1 3.25Å; G562-L566 WeakPolarHBondContact O-CD1 3.35Å; G562-L566 PolarHBondContact O-N 3.14Å
563	N	91.4	Very high	92.7	Very high	96 Å²	96	60.1 Å²	60.1	51%	0.513	30%	0.303	S	S	.	.	H	α-helix	trans	-56.9	-46.6	-179.1	-71.1	-43	0	0	0	112.3	T559 E560 K561 V565 L566 E567	T559-N563 PolarHBondContact O-N 3.2Å; E560-N563 PolarHBondContact O-N 2.82Å; E560-N563 PolarHBondContact O-ND2 3.04Å; K561-N563 VanDerWaalsContact C-N 3.26Å; K561-N563 PolarHBondContact O-N 3.22Å; N563-V565 PolarHBondContact O-N 3.25Å; N563-L566 PolarHBondContact O-N 3.27Å; N563-E567 VanDerWaalsContact O-CB 3.25Å; N563-E567 WeakPolarHBondContact O-CB 3.44Å; N563-E567 PolarHBondContact O-N 2.96Å
564	T	92.9	Very high	93	Very high	80 Å²	80	56.5 Å²	56.5	49%	0.491	28%	0.283	S	S	.	.	H	α-helix	trans	-65.3	-39.4	179	-50.4	0	0	0	0	112.2	W411 G562 F568	W411-T564 HydrophobicContact CZ2-CG2 4.12Å; G562-T564 VanDerWaalsContact C-N 3.35Å; G562-T564 PolarHBondContact O-N 2.77Å; T564-F568 PolarHBondContact O-N 3.37Å; T564-F568 VanDerWaalsContact O-N 3.11Å
565	V	96	Very high	93.3	Very high	10 Å²	10	49.9 Å²	49.9	6%	0.061	26%	0.256	C	S	.	.	H	α-helix	trans	-65	-49.5	176.5	176.4	0	0	0	0	110.1	W411 L415 L543 A548 G562 N563 E567 F568 L569	W411-V565 HydrophobicContact CZ2-CG2 3.94Å; L415-V565 HydrophobicContact CD1-CG1 4.17Å; L415-V565 HydrophobicContact CD1-CG2 4.42Å; L415-V565 HydrophobicContact CD2-CG1 4.28Å; L543-V565 HydrophobicContact CD2-CG1 4.2Å; A548-V565 HydrophobicContact CB-CB 3.98Å; A548-V565 HydrophobicContact CB-CG1 3.95Å; A548-V565 HydrophobicContact CB-CG2 4.29Å; G562-V565 PolarHBondContact O-N 2.83Å; N563-V565 PolarHBondContact O-N 3.25Å; V565-E567 PolarHBondContact O-N 3.38Å; V565-F568 PolarHBondContact O-N 3.13Å; V565-L569 HydrophobicContact CG1-CD1 3.78Å; V565-L569 HydrophobicContact CG1-CG 4.24Å; V565-L569 WeakPolarHBondContact O-CB 3.26Å; V565-L569 WeakPolarHBondContact O-CG 3.06Å; V565-L569 PolarHBondContact O-N 3.42Å
566	L	95.9	Very high	93.4	Very high	13 Å²	13	47.3 Å²	47.3	7%	0.068	24%	0.242	C	C	.	.	H	α-helix	trans	-63.1	-42.9	179.9	-90.2	64.7	0	0	0	111.3	A496 L499 L543 A548 I549 V558 G562 N563 F568 L569 I570	A496-L566 HydrophobicContact CB-CB 4.42Å; A496-L566 HydrophobicContact CB-CG 3.9Å; L499-L566 HydrophobicContact CD1-CD2 4.12Å; L543-L566 HydrophobicContact CD2-CD1 4.31Å; A548-L566 HydrophobicContact CB-CD1 4.06Å; I549-L566 HydrophobicContact CG2-CD1 4.23Å; V558-L566 HydrophobicContact CB-CD2 4.41Å; V558-L566 HydrophobicContact CG1-CD2 3.84Å; V558-L566 HydrophobicContact CG2-CD2 3.6Å; G562-L566 WeakPolarHBondContact O-CB 3.47Å; G562-L566 VanDerWaalsContact O-CD1 3.25Å; G562-L566 WeakPolarHBondContact O-CD1 3.35Å; G562-L566 PolarHBondContact O-N 3.14Å; N563-L566 PolarHBondContact O-N 3.27Å; L566-F568 PolarHBondContact O-N 2.85Å; L566-L569 PolarHBondContact O-N 3.33Å; L566-I570 HydrophobicContact CB-CD1 4.45Å; L566-I570 VanDerWaalsContact O-CB 3.3Å; L566-I570 WeakPolarHBondContact O-CB 3.08Å; L566-I570 WeakPolarHBondContact O-CD1 3.33Å; L566-I570 WeakPolarHBondContact O-CG1 3.27Å; L566-I570 PolarHBondContact O-N 2.73Å
567	E	95.6	Very high	93.5	Very high	143 Å²	143	48.1 Å²	48.1	67%	0.668	25%	0.247	S	C	*	.	H	α-helix	trans	-57.8	-47.7	176.8	-176	179.1	-173.9	0	0	111.2	N563 V565 G571	N563-E567 VanDerWaalsContact O-CB 3.25Å; N563-E567 WeakPolarHBondContact O-CB 3.44Å; N563-E567 PolarHBondContact O-N 2.96Å; V565-E567 PolarHBondContact O-N 3.38Å; E567-G571 PolarHBondContact O-N 2.98Å
568	F	96.4	Very high	93.6	Very high	13 Å²	13	47 Å²	47	6%	0.057	24%	0.24	C	C	.	.	H	α-helix	trans	-61.8	-46.6	175.6	174.2	-97.1	0	0	0	112.2	Q395 W411 L412 L415 T564 V565 L566 I570 G571 L572	Q395-F568 PolarHBondContact NE2-O 3.32Å; W411-F568 HydrophobicContact CH2-CB 3.67Å; W411-F568 HydrophobicContact CH2-CD1 4.22Å; W411-F568 AromaticContact CH2-CG 3.89Å; W411-F568 HydrophobicContact CH2-CG 3.89Å; W411-F568 HydrophobicContact CZ3-CB 3.97Å; W411-F568 HydrophobicContact CZ3-CD1 4.16Å; W411-F568 HydrophobicContact CZ3-CD2 4.03Å; W411-F568 AromaticContact CZ3-CG 3.76Å; W411-F568 HydrophobicContact CZ3-CG 3.76Å; L412-F568 HydrophobicContact CD1-CD1 4.21Å; L412-F568 HydrophobicContact CD1-CE1 3.35Å; L412-F568 HydrophobicContact CD1-CE2 4.12Å; L412-F568 HydrophobicContact CD1-CZ 3.3Å; L412-F568 HydrophobicContact CD2-CE2 4Å; L412-F568 HydrophobicContact CD2-CZ 3.61Å; L412-F568 HydrophobicContact CG-CZ 4.09Å; L415-F568 HydrophobicContact CD2-CD1 4.24Å; T564-F568 PolarHBondContact O-N 3.37Å; T564-F568 VanDerWaalsContact O-N 3.11Å; V565-F568 PolarHBondContact O-N 3.13Å; L566-F568 PolarHBondContact O-N 2.85Å; F568-I570 PolarHBondContact O-N 2.69Å; F568-G571 PolarHBondContact O-N 3.42Å; F568-L572 HydrophobicContact CE1-CD2 4.13Å; F568-L572 HydrophobicContact CZ-CD2 4.4Å; F568-L572 WeakPolarHBondContact O-CB 3.43Å; F568-L572 PolarHBondContact O-N 3.02Å
569	L	97.3	Very high	93.8	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-65.2	-39.1	-178	-71.7	177.6	0	0	0	112.7	F419 F489 P492 S493 A496 L543 V565 L566 F573	F419-L569 HydrophobicContact CE2-CD1 4.41Å; F419-L569 HydrophobicContact CE2-CD2 4.15Å; F489-L569 HydrophobicContact CB-CD2 4.16Å; F489-L569 HydrophobicContact CD1-CD2 3.37Å; F489-L569 HydrophobicContact CE1-CD2 4.11Å; F489-L569 HydrophobicContact CG-CD2 4.12Å; P492-L569 HydrophobicContact CB-CD1 4.13Å; S493-L569 WeakPolarHBondContact OG-CB 3.22Å; S493-L569 WeakPolarHBondContact OG-CD2 3.42Å; S493-L569 PolarHBondContact OG-O 3.19Å; S493-L569 VanDerWaalsContact OG-O 3.07Å; A496-L569 HydrophobicContact CB-CB 4.03Å; A496-L569 HydrophobicContact CB-CD1 4.3Å; L543-L569 HydrophobicContact CD2-CD1 3.55Å; V565-L569 HydrophobicContact CG1-CD1 3.78Å; V565-L569 HydrophobicContact CG1-CG 4.24Å; V565-L569 WeakPolarHBondContact O-CB 3.26Å; V565-L569 WeakPolarHBondContact O-CG 3.06Å; V565-L569 PolarHBondContact O-N 3.42Å; L566-L569 PolarHBondContact O-N 3.33Å; L569-F573 PolarHBondContact O-N 2.88Å
570	I	96.4	Very high	94	Very high	21 Å²	21	43.8 Å²	43.8	11%	0.108	22%	0.22	C	C	.	.	H	α-helix	trans	-66.1	-49.8	173	-69.5	162.7	0	0	0	108.7	A496 M497 Q500 L566 F568 L572 F573 K574	A496-I570 HydrophobicContact CB-CG1 4.04Å; M497-I570 HydrophobicContact CG-CG1 4.2Å; Q500-I570 HydrophobicContact CB-CD1 3.94Å; Q500-I570 HydrophobicContact CG-CD1 4.4Å; L566-I570 HydrophobicContact CB-CD1 4.45Å; L566-I570 VanDerWaalsContact O-CB 3.3Å; L566-I570 WeakPolarHBondContact O-CB 3.08Å; L566-I570 WeakPolarHBondContact O-CD1 3.33Å; L566-I570 WeakPolarHBondContact O-CG1 3.27Å; L566-I570 PolarHBondContact O-N 2.73Å; F568-I570 PolarHBondContact O-N 2.69Å; I570-L572 PolarHBondContact O-N 3Å; I570-F573 PolarHBondContact O-N 2.83Å; I570-F573 VanDerWaalsContact O-N 3.08Å; I570-K574 VanDerWaalsContact O-CB 3.29Å; I570-K574 WeakPolarHBondContact O-CB 3.13Å; I570-K574 PolarHBondContact O-N 2.85Å
571	G	95.6	Very high	94.4	Very high	24 Å²	24	37 Å²	37	25%	0.247	19%	0.189	C	C	.	.	H	α-helix	trans	-57.1	-33.5	177.8	0	0	0	0	0	113.5	E567 F568 P575	E567-G571 PolarHBondContact O-N 2.98Å; F568-G571 PolarHBondContact O-N 3.42Å; G571-P575 WeakPolarHBondContact O-CD 3.35Å
572	L	96.3	Very high	95.1	Very high	2 Å²	2	30.8 Å²	30.8	1%	0.01	16%	0.162	C	C	.	.	H	α-helix	trans	-68.9	-33.8	178.5	-174.7	64.1	0	0	0	112.7	Q395 R482 L486 F489 F568 I570	Q395-L572 VanDerWaalsContact NE2-N 3.14Å; R482-L572 HydrophobicContact CG-CD1 3.63Å; L486-L572 HydrophobicContact CD2-CD1 3.96Å; L486-L572 HydrophobicContact CD2-CD2 4.14Å; L486-L572 HydrophobicContact CD2-CG 3.72Å; F489-L572 HydrophobicContact CB-CD2 3.67Å; F489-L572 HydrophobicContact CD2-CD2 3.86Å; F489-L572 HydrophobicContact CG-CD2 3.82Å; F568-L572 HydrophobicContact CE1-CD2 4.13Å; F568-L572 HydrophobicContact CZ-CD2 4.4Å; F568-L572 WeakPolarHBondContact O-CB 3.43Å; F568-L572 PolarHBondContact O-N 3.02Å; I570-L572 PolarHBondContact O-N 3Å
573	F	96	Very high	95.5	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-106.5	-13.6	-176.3	-79.4	-102.1	0	0	0	114.6	L486 F489 V490 S493 M497 F525 L569 I570 P575 F576 V577	L486-F573 HydrophobicContact CB-CZ 4.04Å; L486-F573 HydrophobicContact CD2-CD2 4.35Å; L486-F573 HydrophobicContact CD2-CE1 4.31Å; L486-F573 HydrophobicContact CD2-CE2 3.77Å; L486-F573 HydrophobicContact CD2-CZ 3.73Å; L486-F573 HydrophobicContact CG-CZ 4.45Å; F489-F573 HydrophobicContact CB-CE2 3.96Å; V490-F573 HydrophobicContact CB-CE1 4.02Å; V490-F573 HydrophobicContact CB-CZ 3.82Å; V490-F573 HydrophobicContact CG2-CE1 3.89Å; V490-F573 HydrophobicContact CG2-CZ 4.22Å; S493-F573 VanDerWaalsContact CB-CE2 3.41Å; S493-F573 WeakPolarHBondContact OG-CD2 3.37Å; S493-F573 VanDerWaalsContact OG-CE2 3.23Å; S493-F573 WeakPolarHBondContact OG-CE2 3.43Å; M497-F573 HydrophobicContact CE-CB 3.68Å; M497-F573 HydrophobicContact CE-CD1 4.43Å; M497-F573 HydrophobicContact CE-CG 4.27Å; M497-F573 HydrophobicContact SD-CB 3.7Å; F525-F573 HydrophobicContact CD1-CE1 4.5Å; F525-F573 HydrophobicContact CD2-CE1 4.25Å; F525-F573 AromaticContact CE1-CE1 3.86Å; F525-F573 HydrophobicContact CE1-CE1 3.86Å; F525-F573 AromaticContact CE2-CD1 3.9Å; F525-F573 HydrophobicContact CE2-CD1 3.9Å; F525-F573 AromaticContact CE2-CE1 3.57Å; F525-F573 HydrophobicContact CE2-CE1 3.57Å; F525-F573 AromaticContact CZ-CD1 3.81Å; F525-F573 HydrophobicContact CZ-CD1 3.81Å; F525-F573 AromaticContact CZ-CE1 3.34Å; F525-F573 HydrophobicContact CZ-CE1 3.34Å; F525-F573 HydrophobicContact CZ-CZ 4.37Å; L569-F573 PolarHBondContact O-N 2.88Å; I570-F573 PolarHBondContact O-N 2.83Å; I570-F573 VanDerWaalsContact O-N 3.08Å; F573-P575 VanDerWaalsContact C-N 3.28Å; F573-F576 HydrophobicContact CD1-CD2 4.23Å; F573-F576 WeakPolarHBondContact O-CB 3.26Å; F573-F576 PolarHBondContact O-N 3.22Å; F573-V577 PolarHBondContact O-N 2.94Å
574	K	94.2	Very high	95.7	Very high	108 Å²	108	26.3 Å²	26.3	47%	0.47	14%	0.138	S	C	.	.	H	α-helix	trans	-49.3	-40.8	175.5	-169	-176	-168.8	-126.6	0	113.2	I570 F576 V577 E578	I570-K574 VanDerWaalsContact O-CB 3.29Å; I570-K574 WeakPolarHBondContact O-CB 3.13Å; I570-K574 PolarHBondContact O-N 2.85Å; K574-F576 PolarHBondContact O-N 2.67Å; K574-V577 PolarHBondContact O-N 3.42Å; K574-V577 VanDerWaalsContact O-N 3.15Å; K574-E578 WeakPolarHBondContact CD-OE1 3.46Å; K574-E578 WeakPolarHBondContact CE-OE1 3.36Å; K574-E578 HydrophobicContact CG-CG 4.17Å; K574-E578 IonicContact NZ-OE1 3.11Å; K574-E578 PolarHBondContact NZ-OE1 3.24Å; K574-E578 PolarHBondContact O-N 2.81Å
575	P	94.9	Very high	95.8	Very high	23 Å²	23	27.1 Å²	27.1	15%	0.149	14%	0.135	C	C	.	.	H	α-helix	trans	-59.9	-30.8	178	-24.9	35.3	0	0	0	113.9	G571 F573 S579 C619 D621	G571-P575 WeakPolarHBondContact O-CD 3.35Å; F573-P575 VanDerWaalsContact C-N 3.28Å; P575-S579 WeakPolarHBondContact O-CB 3.22Å; P575-S579 PolarHBondContact O-N 2.98Å; P575-S579 PolarHBondContact O-OG 3.07Å; P575-C619 PolarHBondContact O-SG 2.72Å; P575-D621 HydrophobicContact CB-CB 4.27Å; P575-D621 WeakPolarHBondContact CB-OD2 3.34Å
576	F	95.3	Very high	95.8	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-72.7	-41.5	176.3	-62	-82.5	0	0	0	111.7	L486 F521 F525 F573 K574 S579 Y580	L486-F576 HydrophobicContact CD1-CE1 4.49Å; L486-F576 HydrophobicContact CD1-CE2 3.52Å; L486-F576 HydrophobicContact CD1-CZ 3.32Å; L486-F576 HydrophobicContact CD2-CE2 4.18Å; F521-F576 HydrophobicContact CD1-CB 4.39Å; F521-F576 HydrophobicContact CE1-CB 3.78Å; F521-F576 HydrophobicContact CZ-CB 4.08Å; F525-F576 HydrophobicContact CE1-CZ 4.36Å; F525-F576 HydrophobicContact CZ-CD1 4.17Å; F525-F576 HydrophobicContact CZ-CD2 4.02Å; F525-F576 HydrophobicContact CZ-CE1 4.1Å; F525-F576 AromaticContact CZ-CE2 3.96Å; F525-F576 HydrophobicContact CZ-CE2 3.96Å; F525-F576 HydrophobicContact CZ-CG 4.14Å; F525-F576 HydrophobicContact CZ-CZ 4.02Å; F573-F576 HydrophobicContact CD1-CD2 4.23Å; F573-F576 WeakPolarHBondContact O-CB 3.26Å; F573-F576 PolarHBondContact O-N 3.22Å; K574-F576 PolarHBondContact O-N 2.67Å; F576-S579 WeakPolarHBondContact O-CB 3.12Å; F576-S579 PolarHBondContact O-N 2.93Å; F576-Y580 WeakPolarHBondContact O-CD2 3.31Å; F576-Y580 PolarHBondContact O-N 3.35Å; F576-Y580 VanDerWaalsContact O-N 3.11Å
577	V	95.1	Very high	95.7	Very high	18 Å²	18	26.6 Å²	26.6	11%	0.109	13%	0.131	C	C	.	.	H	α-helix	trans	-62.3	-50.8	174.6	178.6	0	0	0	0	110.4	M497 F521 F573 K574 S579 Y580 Q581 L666	M497-V577 HydrophobicContact SD-CG2 3.7Å; F521-V577 HydrophobicContact CE2-CG2 4.09Å; F521-V577 HydrophobicContact CZ-CB 4.47Å; F521-V577 HydrophobicContact CZ-CG2 3.71Å; F573-V577 PolarHBondContact O-N 2.94Å; K574-V577 PolarHBondContact O-N 3.42Å; K574-V577 VanDerWaalsContact O-N 3.15Å; V577-S579 PolarHBondContact O-N 3.18Å; V577-Y580 PolarHBondContact O-N 3.17Å; V577-Q581 WeakPolarHBondContact O-CG 3.27Å; V577-Q581 PolarHBondContact O-N 3.22Å; V577-L666 HydrophobicContact CG1-CB 4.4Å; V577-L666 HydrophobicContact CG1-CD2 4.31Å
578	E	94.8	Very high	95.6	Very high	46 Å²	46	22.9 Å²	22.9	22%	0.215	12%	0.115	C	C	.	.	H	α-helix	trans	-59.6	-36.2	176.9	-72.8	-176	-171.7	0	0	111.5	K574 Q581 I582 C619	K574-E578 WeakPolarHBondContact CD-OE1 3.46Å; K574-E578 WeakPolarHBondContact CE-OE1 3.36Å; K574-E578 HydrophobicContact CG-CG 4.17Å; K574-E578 IonicContact NZ-OE1 3.11Å; K574-E578 PolarHBondContact NZ-OE1 3.24Å; K574-E578 PolarHBondContact O-N 2.81Å; E578-Q581 PolarHBondContact O-N 3.38Å; E578-I582 VanDerWaalsContact O-CG1 3.32Å; E578-I582 WeakPolarHBondContact O-CG1 3.37Å; E578-I582 PolarHBondContact O-N 2.64Å; E578-C619 HydrophobicContact CB-CB 4.17Å
579	S	96.5	Very high	95.4	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-62.1	-47.4	178.1	-68.4	0	0	0	0	112.6	P575 F576 V577 Q581 I582 I583 C619 V622	P575-S579 WeakPolarHBondContact O-CB 3.22Å; P575-S579 PolarHBondContact O-N 2.98Å; P575-S579 PolarHBondContact O-OG 3.07Å; F576-S579 WeakPolarHBondContact O-CB 3.12Å; F576-S579 PolarHBondContact O-N 2.93Å; V577-S579 PolarHBondContact O-N 3.18Å; S579-Q581 VanDerWaalsContact C-N 3.33Å; S579-Q581 PolarHBondContact O-N 3.45Å; S579-I582 PolarHBondContact O-N 3.44Å; S579-I583 WeakPolarHBondContact O-CG1 3.11Å; S579-I583 PolarHBondContact O-N 2.92Å; S579-C619 PolarHBondContact OG-SG 2.6Å; S579-C619 VanDerWaalsContact OG-SG 3.39Å; S579-V622 VanDerWaalsContact CB-CG2 3.47Å; S579-V622 WeakPolarHBondContact OG-CG2 3.43Å
580	Y	96.7	Very high	94.8	Very high	3 Å²	3	27 Å²	27	1%	0.012	14%	0.142	C	C	.	.	H	α-helix	trans	-67	-36.4	178.6	-81.8	-123.9	0	0	0	111.1	V520 F521 E524 F576 V577 I583 C584 A631 A634	V520-Y580 HydrophobicContact CG1-CD1 3.51Å; V520-Y580 HydrophobicContact CG1-CE1 3.59Å; V520-Y580 HydrophobicContact CG1-CG 4.37Å; F521-Y580 HydrophobicContact CD1-CE1 4.46Å; F521-Y580 HydrophobicContact CD1-CE2 4.11Å; F521-Y580 AromaticContact CE1-CD2 3.96Å; F521-Y580 HydrophobicContact CE1-CD2 3.96Å; F521-Y580 AromaticContact CE1-CE2 3.98Å; F521-Y580 HydrophobicContact CE1-CE2 3.98Å; F521-Y580 HydrophobicContact CE1-CG 4.24Å; E524-Y580 HydrophobicContact CG-CE2 4.11Å; E524-Y580 VanDerWaalsContact CG-OH 3.23Å; E524-Y580 WeakPolarHBondContact CG-OH 3.49Å; E524-Y580 WeakPolarHBondContact OE1-CE2 3.38Å; E524-Y580 PolarHBondContact OE1-OH 3.11Å; F576-Y580 WeakPolarHBondContact O-CD2 3.31Å; F576-Y580 PolarHBondContact O-N 3.35Å; F576-Y580 VanDerWaalsContact O-N 3.11Å; V577-Y580 PolarHBondContact O-N 3.17Å; Y580-I583 PolarHBondContact O-N 3.45Å; Y580-C584 PolarHBondContact O-N 3.39Å; Y580-C584 PolarHBondContact O-SG 3.43Å; Y580-A631 HydrophobicContact CD1-CB 4.32Å; Y580-A631 HydrophobicContact CD2-CB 4.17Å; Y580-A631 HydrophobicContact CE1-CB 4.04Å; Y580-A631 HydrophobicContact CE2-CB 3.87Å; Y580-A631 HydrophobicContact CG-CB 4.4Å; Y580-A634 HydrophobicContact CE1-CB 3.79Å
581	Q	95.4	Very high	94.1	Very high	36 Å²	36	35.1 Å²	35.1	17%	0.168	18%	0.179	C	C	.	.	H	α-helix	trans	-62.2	-45.1	173.2	-71.5	172.7	-17.2	0	0	112.6	V577 E578 S579 I583 C584 K585 L666	V577-Q581 WeakPolarHBondContact O-CG 3.27Å; V577-Q581 PolarHBondContact O-N 3.22Å; E578-Q581 PolarHBondContact O-N 3.38Å; S579-Q581 VanDerWaalsContact C-N 3.33Å; S579-Q581 PolarHBondContact O-N 3.45Å; Q581-I583 VanDerWaalsContact C-N 3.3Å; Q581-I583 PolarHBondContact O-N 2.89Å; Q581-C584 PolarHBondContact O-N 3.05Å; Q581-K585 WeakPolarHBondContact O-CG 3.49Å; Q581-K585 PolarHBondContact O-N 2.9Å; Q581-L666 HydrophobicContact CG-CB 3.75Å; Q581-L666 HydrophobicContact CG-CD1 4.34Å; Q581-L666 VanDerWaalsContact NE2-C 3.25Å; Q581-L666 PolarHBondContact NE2-O 2.87Å
582	I	95.8	Very high	93.4	Very high	10 Å²	10	37.9 Å²	37.9	5%	0.051	19%	0.186	C	C	.	.	H	α-helix	trans	-62.1	-41.9	177.3	-71.1	164.7	0	0	0	110.3	E578 S579 K585 Y586 F607 L611 S617 C619 V622	E578-I582 VanDerWaalsContact O-CG1 3.32Å; E578-I582 WeakPolarHBondContact O-CG1 3.37Å; E578-I582 PolarHBondContact O-N 2.64Å; S579-I582 PolarHBondContact O-N 3.44Å; I582-K585 PolarHBondContact O-N 3.44Å; I582-Y586 PolarHBondContact O-N 3.05Å; I582-F607 HydrophobicContact CG2-CD1 4.14Å; I582-F607 HydrophobicContact CG2-CE1 4.12Å; I582-L611 HydrophobicContact CG1-CD1 4.39Å; I582-L611 HydrophobicContact CG2-CD1 3.99Å; I582-S617 WeakPolarHBondContact CD1-OG 3.35Å; I582-C619 HydrophobicContact CD1-CB 4.04Å; I582-V622 HydrophobicContact CB-CG2 4.3Å; I582-V622 HydrophobicContact CD1-CG2 3.94Å; I582-V622 HydrophobicContact CG2-CG1 4.23Å; I582-V622 HydrophobicContact CG2-CG2 4.45Å
583	I	96.7	Very high	92.6	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.005	22%	0.221	C	C	.	.	H	α-helix	trans	-64.3	-43.8	176.8	-71.5	169.5	0	0	0	111.2	S579 Y580 Q581 K585 Y586 L587 Y600 V604 V622 A631	S579-I583 WeakPolarHBondContact O-CG1 3.11Å; S579-I583 PolarHBondContact O-N 2.92Å; Y580-I583 PolarHBondContact O-N 3.45Å; Q581-I583 VanDerWaalsContact C-N 3.3Å; Q581-I583 PolarHBondContact O-N 2.89Å; I583-K585 VanDerWaalsContact C-N 3.33Å; I583-K585 PolarHBondContact O-N 3.49Å; I583-Y586 PolarHBondContact O-N 2.85Å; I583-L587 HydrophobicContact CG2-CD1 4.09Å; I583-L587 HydrophobicContact CG2-CG 4.4Å; I583-L587 VanDerWaalsContact O-CG 3.32Å; I583-L587 WeakPolarHBondContact O-CG 3.5Å; I583-L587 PolarHBondContact O-N 2.94Å; I583-Y600 HydrophobicContact CG2-CE2 4.29Å; I583-Y600 WeakPolarHBondContact CG2-OH 3.19Å; I583-V604 HydrophobicContact CG1-CG1 3.98Å; I583-V622 HydrophobicContact CD1-CG1 4.48Å; I583-V622 HydrophobicContact CG1-CG1 4.25Å; I583-A631 HydrophobicContact CD1-CB 3.39Å; I583-A631 HydrophobicContact CG2-CB 4.44Å
584	C	96.2	Very high	92.3	Very high	1 Å²	1	49.2 Å²	49.2	1%	0.007	24%	0.243	C	C	.	.	H	α-helix	trans	-60.3	-42.6	174.3	-71.7	0	0	0	0	111.8	Y580 Q581 Y586 L587 L588 T659 E663	Y580-C584 PolarHBondContact O-N 3.39Å; Y580-C584 PolarHBondContact O-SG 3.43Å; Q581-C584 PolarHBondContact O-N 3.05Å; C584-Y586 VanDerWaalsContact C-N 3.35Å; C584-Y586 PolarHBondContact O-N 3.16Å; C584-L587 PolarHBondContact O-N 3.43Å; C584-L588 WeakPolarHBondContact O-CG 3.3Å; C584-L588 PolarHBondContact O-N 3.36Å; C584-T659 HydrophobicContact CB-CG2 4.1Å; C584-E663 HydrophobicContact CB-CB 4Å; C584-E663 HydrophobicContact CB-CG 4.26Å
585	K	94.8	Very high	92.2	Very high	98 Å²	98	44.2 Å²	44.2	43%	0.426	22%	0.221	S	C	.	.	H	α-helix	trans	-61.4	-42.5	175.6	-72.4	172.6	-177.2	176	0	112.1	Q581 I582 I583 L588 S589 F607 E663	Q581-K585 WeakPolarHBondContact O-CG 3.49Å; Q581-K585 PolarHBondContact O-N 2.9Å; I582-K585 PolarHBondContact O-N 3.44Å; I583-K585 VanDerWaalsContact C-N 3.33Å; I583-K585 PolarHBondContact O-N 3.49Å; K585-L588 PolarHBondContact O-N 3.41Å; K585-S589 PolarHBondContact O-N 2.95Å; K585-S589 VanDerWaalsContact O-N 3.14Å; K585-S589 PolarHBondContact O-OG 3.29Å; K585-F607 HydrophobicContact CB-CZ 4.49Å; K585-E663 WeakPolarHBondContact CE-OE1 3.21Å; K585-E663 HydrophobicContact CG-CG 4.42Å
586	Y	95.6	Very high	92.1	Very high	10 Å²	10	45.6 Å²	45.6	4%	0.039	23%	0.231	C	C	.	.	H	α-helix	trans	-60.4	-49.3	173.5	163.3	-103.6	0	0	0	111.4	I582 I583 C584 L588 S589 E590 Y600 A603 V604 F607	I582-Y586 PolarHBondContact O-N 3.05Å; I583-Y586 PolarHBondContact O-N 2.85Å; C584-Y586 VanDerWaalsContact C-N 3.35Å; C584-Y586 PolarHBondContact O-N 3.16Å; Y586-L588 VanDerWaalsContact C-N 3.27Å; Y586-L588 PolarHBondContact O-N 2.96Å; Y586-S589 WeakPolarHBondContact CA-OG 3.33Å; Y586-S589 CarbonylContact O-C 3.59Å; Y586-S589 WeakPolarHBondContact O-CA 3.16Å; Y586-S589 PolarHBondContact O-N 2.82Å; Y586-S589 PolarHBondContact O-OG 2.85Å; Y586-E590 WeakPolarHBondContact CE2-OE2 3.43Å; Y586-E590 PolarHBondContact O-N 2.82Å; Y586-E590 VanDerWaalsContact O-N 3.07Å; Y586-E590 PolarHBondContact OH-OE2 3.17Å; Y586-Y600 HydrophobicContact CD1-CE2 4.33Å; Y586-Y600 AromaticContact CE1-CD2 3.86Å; Y586-Y600 HydrophobicContact CE1-CD2 3.86Å; Y586-Y600 HydrophobicContact CE1-CE2 4.12Å; Y586-A603 HydrophobicContact CE2-CB 3.78Å; Y586-A603 WeakPolarHBondContact OH-CB 3.5Å; Y586-V604 HydrophobicContact CD1-CG2 3.34Å; Y586-V604 HydrophobicContact CE1-CG2 3.5Å; Y586-V604 VanDerWaalsContact CE1-CG2 3.5Å; Y586-V604 HydrophobicContact CG-CG2 4.02Å; Y586-F607 HydrophobicContact CD2-CB 4.05Å; Y586-F607 HydrophobicContact CD2-CD2 4.44Å; Y586-F607 HydrophobicContact CD2-CG 4.11Å
587	L	95	Very high	91.9	Very high	2 Å²	2	49.2 Å²	49.2	1%	0.01	25%	0.248	C	C	.	.	H	α-helix	trans	-60.8	-34.7	179.9	-70	174	0	0	0	112.6	I583 C584 S589 F595 Y600 V641 V654 T659	I583-L587 HydrophobicContact CG2-CD1 4.09Å; I583-L587 HydrophobicContact CG2-CG 4.4Å; I583-L587 VanDerWaalsContact O-CG 3.32Å; I583-L587 WeakPolarHBondContact O-CG 3.5Å; I583-L587 PolarHBondContact O-N 2.94Å; C584-L587 PolarHBondContact O-N 3.43Å; L587-S589 VanDerWaalsContact C-N 3.29Å; L587-F595 HydrophobicContact CD2-CE1 3.94Å; L587-F595 HydrophobicContact CD2-CZ 3.75Å; L587-Y600 HydrophobicContact CD2-CD2 4.23Å; L587-Y600 HydrophobicContact CD2-CE2 4Å; L587-V641 HydrophobicContact CD1-CG2 4Å; L587-V654 HydrophobicContact CB-CG1 4.23Å; L587-V654 HydrophobicContact CB-CG2 4.3Å; L587-V654 HydrophobicContact CD2-CG2 4.01Å; L587-T659 HydrophobicContact CB-CG2 4.08Å
588	L	93.4	Very high	91.7	Very high	65 Å²	65	56.1 Å²	56.1	34%	0.34	28%	0.279	S	S	.	.	H	α-helix	trans	-74	-18.5	174.1	-70.1	170.4	0	0	0	113.6	C584 K585 Y586 T659 T660	C584-L588 WeakPolarHBondContact O-CG 3.3Å; C584-L588 PolarHBondContact O-N 3.36Å; K585-L588 PolarHBondContact O-N 3.41Å; Y586-L588 VanDerWaalsContact C-N 3.27Å; Y586-L588 PolarHBondContact O-N 2.96Å; L588-T659 HydrophobicContact CD1-CG2 4.29Å; L588-T659 HydrophobicContact CD2-CG2 3.89Å; L588-T659 HydrophobicContact CG-CG2 3.7Å; L588-T660 WeakPolarHBondContact CD2-OG1 3.31Å
589	S	91.3	Very high	91.6	Very high	64 Å²	64	58.6 Å²	58.6	45%	0.448	29%	0.287	S	S	.	.	H	α-helix	trans	-96.1	-7	176.6	70.6	0	0	0	0	113.7	K585 Y586 L587 E591	K585-S589 PolarHBondContact O-N 2.95Å; K585-S589 VanDerWaalsContact O-N 3.14Å; K585-S589 PolarHBondContact O-OG 3.29Å; Y586-S589 WeakPolarHBondContact CA-OG 3.33Å; Y586-S589 CarbonylContact O-C 3.59Å; Y586-S589 WeakPolarHBondContact O-CA 3.16Å; Y586-S589 PolarHBondContact O-N 2.82Å; Y586-S589 PolarHBondContact O-OG 2.85Å; L587-S589 VanDerWaalsContact C-N 3.29Å; S589-E591 PolarHBondContact O-N 2.95Å
590	E	85.8	Confident	91.5	Very high	35 Å²	35	58.6 Å²	58.6	16%	0.164	29%	0.287	C	S	.	.			trans	-75.4	117.4	-179.9	-174.4	68.5	-135.6	0	0	109.5	Y586 E592 R599	Y586-E590 WeakPolarHBondContact CE2-OE2 3.43Å; Y586-E590 PolarHBondContact O-N 2.82Å; Y586-E590 VanDerWaalsContact O-N 3.07Å; Y586-E590 PolarHBondContact OH-OE2 3.17Å; E590-E592 VanDerWaalsContact C-N 3.33Å; E590-E592 HydrophobicContact CG-CB 4.4Å; E590-R599 IonicContact OE1-NH2 3.16Å; E590-R599 PolarHBondContact OE1-NH2 3.17Å
591	E	80.2	Confident	91.3	Very high	192 Å²	192	59.2 Å²	59.2	90%	0.897	29%	0.29	S	S	*	.			trans	-81.5	-12.7	-178.7	-62.7	-177.7	172	0	0	113	S589	S589-E591 PolarHBondContact O-N 2.95Å
592	E	81.8	Confident	91.2	Very high	82 Å²	82	60.1 Å²	60.1	38%	0.383	30%	0.304	S	S	.	.	S	Bend	trans	-85	133.7	179	-70.9	-165	-167.1	0	0	113.1	E590 H594 R599	E590-E592 VanDerWaalsContact C-N 3.33Å; E590-E592 HydrophobicContact CG-CB 4.4Å; E592-H594 PolarHBondContact O-N 3.18Å; E592-H594 VanDerWaalsContact O-N 3.07Å; E592-R599 IonicContact OE1-CZ 3.83Å; E592-R599 IonicContact OE1-NH1 2.85Å; E592-R599 PolarHBondContact OE1-NH1 3.3Å; E592-R599 IonicContact OE1-NH2 3.71Å; E592-R599 PolarHBondContact OE1-NH2 3.34Å; E592-R599 IonicContact OE2-CZ 2.82Å; E592-R599 IonicContact OE2-NE 2.82Å; E592-R599 IonicContact OE2-NH1 3.65Å; E592-R599 PolarHBondContact OE2-NH1 2.85Å; E592-R599 IonicContact OE2-NH2 3.3Å; E592-R599 PolarHBondContact OE2-NH2 3.2Å
593	D	79.7	Confident	91.1	Very high	140 Å²	140	60.9 Å²	60.9	75%	0.749	31%	0.311	S	S	*	.	S	Bend	trans	-58.3	-24.9	177.3	-66.7	-34.3	0	0	0	113.8	N653	D593-N653 PolarHBondContact O-OD1 2.88Å
594	H	89	Confident	91	Very high	99 Å²	99	60.8 Å²	60.8	46%	0.458	31%	0.311	S	S	.	.			trans	-153.9	145.3	-175	67.2	-78.5	0	0	0	113.6	E592 I651 F652 N653	E592-H594 PolarHBondContact O-N 3.18Å; E592-H594 VanDerWaalsContact O-N 3.07Å; H594-I651 HydrophobicContact CB-CG2 3.51Å; H594-F652 CarbonylContact C-O 3.58Å; H594-F652 VanDerWaalsContact CA-O 3.27Å; H594-F652 WeakPolarHBondContact CA-O 3.44Å; H594-N653 WeakPolarHBondContact CB-OD1 3.34Å
595	F	92.5	Very high	90.8	Very high	4 Å²	4	63 Å²	63	2%	0.018	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	160.8	177.5	58.9	-94.7	0	0	0	112.8	L587 Y600 L632 V641 F652 V654	L587-F595 HydrophobicContact CD2-CE1 3.94Å; L587-F595 HydrophobicContact CD2-CZ 3.75Å; F595-Y600 HydrophobicContact CD2-CD2 4.36Å; F595-Y600 HydrophobicContact CD2-CG 4.34Å; F595-Y600 AromaticContact CE2-CD2 3.71Å; F595-Y600 HydrophobicContact CE2-CD2 3.71Å; F595-Y600 AromaticContact CE2-CG 3.92Å; F595-Y600 HydrophobicContact CE2-CG 3.92Å; F595-Y600 HydrophobicContact CZ-CD2 4.14Å; F595-L632 HydrophobicContact CE2-CD1 4.2Å; F595-L632 HydrophobicContact CZ-CD1 4.4Å; F595-V641 HydrophobicContact CZ-CG1 4.3Å; F595-F652 HydrophobicContact CD1-CB 4.48Å; F595-F652 HydrophobicContact CD2-CB 3.81Å; F595-F652 HydrophobicContact CD2-CD2 4.29Å; F595-F652 HydrophobicContact CD2-CG 4.41Å; F595-F652 HydrophobicContact CE1-CB 4.11Å; F595-F652 HydrophobicContact CE2-CB 3.4Å; F595-F652 VanDerWaalsContact CE2-CB 3.4Å; F595-F652 HydrophobicContact CE2-CD2 4.19Å; F595-F652 AromaticContact CE2-CG 3.97Å; F595-F652 HydrophobicContact CE2-CG 3.97Å; F595-F652 HydrophobicContact CG-CB 4.35Å; F595-F652 HydrophobicContact CZ-CB 3.57Å; F595-F652 HydrophobicContact CZ-CG 4.48Å; F595-F652 PolarHBondContact N-O 2.64Å; F595-F652 PolarHBondContact O-N 2.94Å; F595-V654 HydrophobicContact CE1-CG2 3.72Å
596	S	92.5	Very high	90.6	Very high	51 Å²	51	65.1 Å²	65.1	36%	0.357	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	159.2	170.1	71.2	0	0	0	0	111.1	E598 R599 Y600	S596-E598 VanDerWaalsContact C-N 3.32Å; S596-E598 PolarHBondContact O-N 3.13Å; S596-R599 PolarHBondContact O-N 3.45Å; S596-R599 WeakPolarHBondContact OG-CB 3.25Å; S596-R599 PolarHBondContact OG-N 2.83Å; S596-Y600 WeakPolarHBondContact O-CB 3.19Å; S596-Y600 PolarHBondContact O-N 3.05Å
597	E	92.1	Very high	90.5	Very high	76 Å²	76	66.8 Å²	66.8	36%	0.355	34%	0.336	S	S	.	.	H	α-helix	trans	-58	-43.9	176.1	-172.3	176.9	150.7	0	0	111.8	R599 Y600 L601 L632 F652	E597-R599 VanDerWaalsContact C-N 3.34Å; E597-R599 PolarHBondContact O-N 3.34Å; E597-Y600 WeakPolarHBondContact O-CB 3.28Å; E597-Y600 PolarHBondContact O-N 2.99Å; E597-L601 HydrophobicContact CG-CD1 4.34Å; E597-L601 HydrophobicContact CG-CG 4.47Å; E597-L601 VanDerWaalsContact O-CG 3.27Å; E597-L601 WeakPolarHBondContact O-CG 3.35Å; E597-L601 PolarHBondContact O-N 2.77Å; E597-L632 HydrophobicContact CG-CD2 4.06Å; E597-F652 HydrophobicContact CB-CE2 3.93Å
598	E	90	Very high	90.4	Very high	164 Å²	164	66.7 Å²	66.7	77%	0.766	34%	0.336	S	S	*	.	H	α-helix	trans	-60.9	-42.5	179.5	-66.2	-179.5	175.6	0	0	112.3	S596 A602	S596-E598 VanDerWaalsContact C-N 3.32Å; S596-E598 PolarHBondContact O-N 3.13Å; E598-A602 PolarHBondContact O-N 2.92Å
599	R	91.7	Very high	90.3	Very high	98 Å²	98	65.2 Å²	65.2	37%	0.37	33%	0.33	S	S	.	.	H	α-helix	trans	-65.2	-46.7	176.5	179.6	-177.9	168.3	143.6	2.7	111.1	E590 E592 S596 E597 L601 A602 A603	E590-R599 IonicContact OE1-NH2 3.16Å; E590-R599 PolarHBondContact OE1-NH2 3.17Å; E592-R599 IonicContact OE1-CZ 3.83Å; E592-R599 IonicContact OE1-NH1 2.85Å; E592-R599 PolarHBondContact OE1-NH1 3.3Å; E592-R599 IonicContact OE1-NH2 3.71Å; E592-R599 PolarHBondContact OE1-NH2 3.34Å; E592-R599 IonicContact OE2-CZ 2.82Å; E592-R599 IonicContact OE2-NE 2.82Å; E592-R599 IonicContact OE2-NH1 3.65Å; E592-R599 PolarHBondContact OE2-NH1 2.85Å; E592-R599 IonicContact OE2-NH2 3.3Å; E592-R599 PolarHBondContact OE2-NH2 3.2Å; S596-R599 PolarHBondContact O-N 3.45Å; S596-R599 WeakPolarHBondContact OG-CB 3.25Å; S596-R599 PolarHBondContact OG-N 2.83Å; E597-R599 VanDerWaalsContact C-N 3.34Å; E597-R599 PolarHBondContact O-N 3.34Å; R599-L601 VanDerWaalsContact C-N 3.34Å; R599-L601 PolarHBondContact O-N 3.17Å; R599-A602 PolarHBondContact O-N 3.17Å; R599-A603 VanDerWaalsContact O-CB 3.29Å; R599-A603 WeakPolarHBondContact O-CB 3.36Å; R599-A603 PolarHBondContact O-N 3.46Å
600	Y	94.4	Very high	90.2	Very high	0 Å²	0	66.3 Å²	66.3	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-54	-49.6	177.4	165.7	-95.5	0	0	0	111.6	I583 Y586 L587 F595 S596 E597 A602 A603 V604 Q628 L632	I583-Y600 HydrophobicContact CG2-CE2 4.29Å; I583-Y600 WeakPolarHBondContact CG2-OH 3.19Å; Y586-Y600 HydrophobicContact CD1-CE2 4.33Å; Y586-Y600 AromaticContact CE1-CD2 3.86Å; Y586-Y600 HydrophobicContact CE1-CD2 3.86Å; Y586-Y600 HydrophobicContact CE1-CE2 4.12Å; L587-Y600 HydrophobicContact CD2-CD2 4.23Å; L587-Y600 HydrophobicContact CD2-CE2 4Å; F595-Y600 HydrophobicContact CD2-CD2 4.36Å; F595-Y600 HydrophobicContact CD2-CG 4.34Å; F595-Y600 AromaticContact CE2-CD2 3.71Å; F595-Y600 HydrophobicContact CE2-CD2 3.71Å; F595-Y600 AromaticContact CE2-CG 3.92Å; F595-Y600 HydrophobicContact CE2-CG 3.92Å; F595-Y600 HydrophobicContact CZ-CD2 4.14Å; S596-Y600 WeakPolarHBondContact O-CB 3.19Å; S596-Y600 PolarHBondContact O-N 3.05Å; E597-Y600 WeakPolarHBondContact O-CB 3.28Å; E597-Y600 PolarHBondContact O-N 2.99Å; Y600-A602 VanDerWaalsContact C-N 3.34Å; Y600-A602 PolarHBondContact O-N 2.8Å; Y600-A603 PolarHBondContact O-N 2.87Å; Y600-V604 HydrophobicContact CD2-CG2 3.88Å; Y600-V604 HydrophobicContact CE1-CG2 4.28Å; Y600-V604 HydrophobicContact CE2-CG2 3.52Å; Y600-V604 HydrophobicContact CG-CG2 4.38Å; Y600-V604 WeakPolarHBondContact O-CB 3.42Å; Y600-V604 VanDerWaalsContact O-CG2 3.32Å; Y600-V604 WeakPolarHBondContact O-CG2 3.32Å; Y600-V604 PolarHBondContact O-N 3.41Å; Y600-Q628 HydrophobicContact CE1-CB 4.08Å; Y600-Q628 WeakPolarHBondContact CE1-O 3.47Å; Y600-Q628 PolarHBondContact OH-O 3.06Å; Y600-L632 HydrophobicContact CD1-CB 4.43Å; Y600-L632 HydrophobicContact CD1-CD2 3.89Å; Y600-L632 HydrophobicContact CE1-CB 3.81Å; Y600-L632 HydrophobicContact CE1-CD2 4.12Å; Y600-L632 HydrophobicContact CE1-CG 4.37Å; Y600-L632 HydrophobicContact CE2-CD1 4.46Å; Y600-L632 HydrophobicContact CG-CD2 4.38Å
601	L	94	Very high	90.4	Very high	16 Å²	16	66 Å²	66	8%	0.084	33%	0.328	C	S	.	.	H	α-helix	trans	-61.3	-42	-179.3	-65.3	177.2	0	0	0	112.1	E597 R599 R605 Q628 K629	E597-L601 HydrophobicContact CG-CD1 4.34Å; E597-L601 HydrophobicContact CG-CG 4.47Å; E597-L601 VanDerWaalsContact O-CG 3.27Å; E597-L601 WeakPolarHBondContact O-CG 3.35Å; E597-L601 PolarHBondContact O-N 2.77Å; R599-L601 VanDerWaalsContact C-N 3.34Å; R599-L601 PolarHBondContact O-N 3.17Å; L601-R605 WeakPolarHBondContact O-CG 3.42Å; L601-R605 PolarHBondContact O-N 3.18Å; L601-Q628 HydrophobicContact CD2-CB 3.45Å; L601-Q628 VanDerWaalsContact CD2-CB 3.45Å; L601-Q628 HydrophobicContact CD2-CG 4.43Å; L601-Q628 PolarHBondContact O-OE1 3.36Å; L601-K629 HydrophobicContact CD1-CG 4.36Å; L601-K629 HydrophobicContact CD2-CG 3.94Å
602	A	92.1	Very high	90.9	Very high	55 Å²	55	57.6 Å²	57.6	46%	0.455	29%	0.289	S	S	.	.	H	α-helix	trans	-68.7	-41.9	177.8	0	0	0	0	0	112.4	E598 R599 Y600 R605 K606	E598-A602 PolarHBondContact O-N 2.92Å; R599-A602 PolarHBondContact O-N 3.17Å; Y600-A602 VanDerWaalsContact C-N 3.34Å; Y600-A602 PolarHBondContact O-N 2.8Å; A602-R605 PolarHBondContact O-N 3.5Å; A602-K606 PolarHBondContact O-N 3.15Å; A602-K606 VanDerWaalsContact O-N 3.08Å
603	A	93.4	Very high	91.1	Very high	25 Å²	25	59.2 Å²	59.2	21%	0.207	30%	0.3	C	S	.	.	H	α-helix	trans	-70.4	-43.1	-177.3	0	0	0	0	0	112.5	Y586 R599 Y600 R605 K606 F607	Y586-A603 HydrophobicContact CE2-CB 3.78Å; Y586-A603 WeakPolarHBondContact OH-CB 3.5Å; R599-A603 VanDerWaalsContact O-CB 3.29Å; R599-A603 WeakPolarHBondContact O-CB 3.36Å; R599-A603 PolarHBondContact O-N 3.46Å; Y600-A603 PolarHBondContact O-N 2.87Å; A603-R605 VanDerWaalsContact C-N 3.32Å; A603-R605 PolarHBondContact O-N 3.18Å; A603-K606 PolarHBondContact O-N 2.82Å; A603-F607 WeakPolarHBondContact O-CB 3.41Å; A603-F607 PolarHBondContact O-N 3.28Å
604	V	94.8	Very high	91.4	Very high	0 Å²	0	59 Å²	59	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-59.5	-42.4	173.9	172.1	0	0	0	0	111.1	I583 Y586 Y600 F607 T608 V622 Q628	I583-V604 HydrophobicContact CG1-CG1 3.98Å; Y586-V604 HydrophobicContact CD1-CG2 3.34Å; Y586-V604 HydrophobicContact CE1-CG2 3.5Å; Y586-V604 VanDerWaalsContact CE1-CG2 3.5Å; Y586-V604 HydrophobicContact CG-CG2 4.02Å; Y600-V604 HydrophobicContact CD2-CG2 3.88Å; Y600-V604 HydrophobicContact CE1-CG2 4.28Å; Y600-V604 HydrophobicContact CE2-CG2 3.52Å; Y600-V604 HydrophobicContact CG-CG2 4.38Å; Y600-V604 WeakPolarHBondContact O-CB 3.42Å; Y600-V604 VanDerWaalsContact O-CG2 3.32Å; Y600-V604 WeakPolarHBondContact O-CG2 3.32Å; Y600-V604 PolarHBondContact O-N 3.41Å; V604-F607 PolarHBondContact O-N 3.38Å; V604-T608 VanDerWaalsContact O-CB 3.3Å; V604-T608 WeakPolarHBondContact O-CB 3.34Å; V604-T608 PolarHBondContact O-N 2.89Å; V604-T608 PolarHBondContact O-OG1 3.38Å; V604-V622 HydrophobicContact CG1-CG1 3.75Å; V604-Q628 HydrophobicContact CB-CG 4.5Å; V604-Q628 HydrophobicContact CG1-CG 3.94Å
605	R	92.6	Very high	91.2	Very high	46 Å²	46	57 Å²	57	17%	0.174	30%	0.3	C	S	.	.	H	α-helix	trans	-60.5	-48.2	175.3	-73.3	-176.4	-141.4	119.9	8.5	111.3	L298 L601 A602 A603 F607 T608 S609	L298-R605 WeakPolarHBondContact O-CD 3.48Å; L601-R605 WeakPolarHBondContact O-CG 3.42Å; L601-R605 PolarHBondContact O-N 3.18Å; A602-R605 PolarHBondContact O-N 3.5Å; A603-R605 VanDerWaalsContact C-N 3.32Å; A603-R605 PolarHBondContact O-N 3.18Å; R605-F607 PolarHBondContact O-N 3.28Å; R605-T608 PolarHBondContact O-N 3.05Å; R605-S609 PolarHBondContact O-N 2.86Å; R605-S609 PolarHBondContact O-OG 2.81Å; R605-S609 VanDerWaalsContact O-OG 3.13Å
606	K	91.4	Very high	90.9	Very high	144 Å²	144	61.6 Å²	61.6	63%	0.626	33%	0.329	S	S	*	.	H	α-helix	trans	-59.8	-47	179.4	-175.8	-178.6	176.1	-173.9	0	111.5	A602 A603 T608 S609 Q610	A602-K606 PolarHBondContact O-N 3.15Å; A602-K606 VanDerWaalsContact O-N 3.08Å; A603-K606 PolarHBondContact O-N 2.82Å; K606-T608 VanDerWaalsContact C-N 3.35Å; K606-S609 PolarHBondContact O-N 2.84Å; K606-Q610 WeakPolarHBondContact O-CG 3.38Å; K606-Q610 PolarHBondContact O-N 3.44Å; K606-Q610 VanDerWaalsContact O-N 3.15Å
607	F	93.5	Very high	90.7	Very high	45 Å²	45	60 Å²	60	20%	0.197	32%	0.318	C	S	.	.	H	α-helix	trans	-60.3	-44.9	177.1	-179	-101.8	0	0	0	111.6	I582 K585 Y586 A603 V604 R605 Q610 L611	I582-F607 HydrophobicContact CG2-CD1 4.14Å; I582-F607 HydrophobicContact CG2-CE1 4.12Å; K585-F607 HydrophobicContact CB-CZ 4.49Å; Y586-F607 HydrophobicContact CD2-CB 4.05Å; Y586-F607 HydrophobicContact CD2-CD2 4.44Å; Y586-F607 HydrophobicContact CD2-CG 4.11Å; A603-F607 WeakPolarHBondContact O-CB 3.41Å; A603-F607 PolarHBondContact O-N 3.28Å; V604-F607 PolarHBondContact O-N 3.38Å; R605-F607 PolarHBondContact O-N 3.28Å; F607-Q610 WeakPolarHBondContact O-CB 3.41Å; F607-Q610 PolarHBondContact O-N 3.23Å; F607-L611 HydrophobicContact CD1-CD1 4.01Å; F607-L611 HydrophobicContact CE1-CD1 3.57Å; F607-L611 HydrophobicContact CE1-CG 4.35Å; F607-L611 HydrophobicContact CZ-CD1 4.12Å; F607-L611 PolarHBondContact O-N 3.07Å
608	T	92.9	Very high	90.5	Very high	0 Å²	0	62.8 Å²	62.8	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-64.1	-45.9	178	-56.4	0	0	0	0	111.7	V604 R605 K606 Q610 L611 L612 V622 L623	V604-T608 VanDerWaalsContact O-CB 3.3Å; V604-T608 WeakPolarHBondContact O-CB 3.34Å; V604-T608 PolarHBondContact O-N 2.89Å; V604-T608 PolarHBondContact O-OG1 3.38Å; R605-T608 PolarHBondContact O-N 3.05Å; K606-T608 VanDerWaalsContact C-N 3.35Å; T608-Q610 VanDerWaalsContact C-N 3.25Å; T608-Q610 PolarHBondContact O-N 3.48Å; T608-L611 WeakPolarHBondContact O-CB 3.35Å; T608-L611 PolarHBondContact O-N 3.44Å; T608-L612 HydrophobicContact CG2-CD1 4.04Å; T608-L612 HydrophobicContact CG2-CG 4.3Å; T608-L612 WeakPolarHBondContact O-CG 3.48Å; T608-L612 PolarHBondContact O-N 3.08Å; T608-V622 HydrophobicContact CG2-CB 3.79Å; T608-V622 HydrophobicContact CG2-CG1 4.05Å; T608-V622 WeakPolarHBondContact OG1-CG1 3.28Å; T608-L623 HydrophobicContact CG2-CD2 3.74Å; T608-L623 HydrophobicContact CG2-CG 4.14Å
609	S	89.8	Confident	90.5	Very high	33 Å²	33	55.1 Å²	55.1	23%	0.231	30%	0.295	C	S	.	.	H	α-helix	trans	-56.7	-41.3	177	-64.7	0	0	0	0	111.6	R605 K606 L611 L612 D613	R605-S609 PolarHBondContact O-N 2.86Å; R605-S609 PolarHBondContact O-OG 2.81Å; R605-S609 VanDerWaalsContact O-OG 3.13Å; K606-S609 PolarHBondContact O-N 2.84Å; S609-L611 VanDerWaalsContact C-N 3.34Å; S609-L611 PolarHBondContact O-N 3.27Å; S609-L612 PolarHBondContact O-N 3.44Å; S609-D613 WeakPolarHBondContact O-CB 3.4Å; S609-D613 PolarHBondContact O-N 2.9Å
610	Q	89.8	Confident	90.5	Very high	88 Å²	88	51.7 Å²	51.7	41%	0.411	28%	0.282	S	S	.	.	H	α-helix	trans	-61.4	-40.9	175.5	-69.6	171.7	-18	0	0	112.5	K606 F607 T608 Q614	K606-Q610 WeakPolarHBondContact O-CG 3.38Å; K606-Q610 PolarHBondContact O-N 3.44Å; K606-Q610 VanDerWaalsContact O-N 3.15Å; F607-Q610 WeakPolarHBondContact O-CB 3.41Å; F607-Q610 PolarHBondContact O-N 3.23Å; T608-Q610 VanDerWaalsContact C-N 3.25Å; T608-Q610 PolarHBondContact O-N 3.48Å; Q610-Q614 WeakPolarHBondContact O-CB 3.3Å; Q610-Q614 WeakPolarHBondContact O-CG 3.12Å; Q610-Q614 PolarHBondContact O-N 2.89Å
611	L	91.3	Very high	90.5	Very high	28 Å²	28	52.2 Å²	52.2	15%	0.147	29%	0.285	C	S	.	.	H	α-helix	trans	-67.4	-35.5	176.7	-66	177.5	0	0	0	112.6	I582 F607 T608 S609 G615 T616 S617	I582-L611 HydrophobicContact CG1-CD1 4.39Å; I582-L611 HydrophobicContact CG2-CD1 3.99Å; F607-L611 HydrophobicContact CD1-CD1 4.01Å; F607-L611 HydrophobicContact CE1-CD1 3.57Å; F607-L611 HydrophobicContact CE1-CG 4.35Å; F607-L611 HydrophobicContact CZ-CD1 4.12Å; F607-L611 PolarHBondContact O-N 3.07Å; T608-L611 WeakPolarHBondContact O-CB 3.35Å; T608-L611 PolarHBondContact O-N 3.44Å; S609-L611 VanDerWaalsContact C-N 3.34Å; S609-L611 PolarHBondContact O-N 3.27Å; L611-G615 PolarHBondContact O-N 3.24Å; L611-T616 HydrophobicContact CD2-CG2 4.21Å; L611-T616 PolarHBondContact O-N 3.03Å; L611-S617 PolarHBondContact O-N 3Å
612	L	89.6	Confident	90.6	Very high	16 Å²	16	51.4 Å²	51.4	8%	0.084	28%	0.281	C	S	.	.	H	α-helix	trans	-69.1	-46.6	175.6	-65.9	171.5	0	0	0	110.8	T608 S609 Q614 G615 S617 Y620 L623	T608-L612 HydrophobicContact CG2-CD1 4.04Å; T608-L612 HydrophobicContact CG2-CG 4.3Å; T608-L612 WeakPolarHBondContact O-CG 3.48Å; T608-L612 PolarHBondContact O-N 3.08Å; S609-L612 PolarHBondContact O-N 3.44Å; L612-Q614 VanDerWaalsContact C-N 3.26Å; L612-Q614 PolarHBondContact O-N 3.39Å; L612-G615 PolarHBondContact O-N 3.48Å; L612-S617 WeakPolarHBondContact CD2-O 3.41Å; L612-Y620 HydrophobicContact CD1-CD1 3.79Å; L612-Y620 HydrophobicContact CD1-CE1 3.92Å; L612-Y620 HydrophobicContact CD1-CG 4.46Å; L612-Y620 HydrophobicContact CD2-CD1 4.25Å; L612-Y620 HydrophobicContact CD2-CD2 4.31Å; L612-Y620 HydrophobicContact CD2-CE1 4.11Å; L612-Y620 HydrophobicContact CD2-CE2 4.13Å; L612-Y620 HydrophobicContact CD2-CG 4.37Å; L612-Y620 HydrophobicContact CG-CE1 4.5Å; L612-L623 HydrophobicContact CD1-CD1 3.77Å; L612-L623 HydrophobicContact CD1-CD2 4.27Å; L612-L623 HydrophobicContact CD1-CG 4.14Å
613	D	85.8	Confident	90.7	Very high	116 Å²	116	48.9 Å²	48.9	62%	0.62	26%	0.26	S	S	*	.	H	α-helix	trans	-61.4	-35.5	178.2	-66.7	-21.2	0	0	0	111.9	S609 G615	S609-D613 WeakPolarHBondContact O-CB 3.4Å; S609-D613 PolarHBondContact O-N 2.9Å; D613-G615 VanDerWaalsContact C-N 3.28Å; D613-G615 PolarHBondContact O-N 3.5Å
614	Q	86.6	Confident	90.8	Very high	136 Å²	136	48 Å²	48	64%	0.636	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	-7.7	175.3	-69.3	168.6	11.8	0	0	113.4	Q610 L612 T616	Q610-Q614 WeakPolarHBondContact O-CB 3.3Å; Q610-Q614 WeakPolarHBondContact O-CG 3.12Å; Q610-Q614 PolarHBondContact O-N 2.89Å; L612-Q614 VanDerWaalsContact C-N 3.26Å; L612-Q614 PolarHBondContact O-N 3.39Å; Q614-T616 PolarHBondContact O-N 3.17Å
615	G	84	Confident	90.8	Very high	55 Å²	55	48.4 Å²	48.4	57%	0.567	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	67	13.6	-173.9	0	0	0	0	0	114.6	L611 L612 D613 S617	L611-G615 PolarHBondContact O-N 3.24Å; L612-G615 PolarHBondContact O-N 3.48Å; D613-G615 VanDerWaalsContact C-N 3.28Å; D613-G615 PolarHBondContact O-N 3.5Å; G615-S617 VanDerWaalsContact C-N 3.29Å
616	T	87	Confident	90.9	Very high	102 Å²	102	47.6 Å²	47.6	63%	0.626	25%	0.254	S	S	*	.	S	Bend	trans	-76.1	-21	179.4	-57.7	0	0	0	0	111.8	L611 Q614	L611-T616 HydrophobicContact CD2-CG2 4.21Å; L611-T616 PolarHBondContact O-N 3.03Å; Q614-T616 PolarHBondContact O-N 3.17Å
617	S	87.6	Confident	91.1	Very high	17 Å²	17	40.9 Å²	40.9	12%	0.119	23%	0.225	C	C	.	.			trans	-134.7	156.9	171.3	-174.3	0	0	0	0	110.7	I582 L611 L612 G615 C619	I582-S617 WeakPolarHBondContact CD1-OG 3.35Å; L611-S617 PolarHBondContact O-N 3Å; L612-S617 WeakPolarHBondContact CD2-O 3.41Å; G615-S617 VanDerWaalsContact C-N 3.29Å; S617-C619 WeakPolarHBondContact OG-CB 3.38Å; S617-C619 PolarHBondContact OG-N 3.41Å; S617-C619 VanDerWaalsContact OG-N 3.11Å
618	Q	87.5	Confident	91.2	Very high	135 Å²	135	38.8 Å²	38.8	63%	0.631	22%	0.216	S	C	*	.			trans	-124.3	18.7	168.3	-60.7	-176.1	-2.1	0	0	111.6	R397 Y620	R397-Q618 PolarHBondContact NH2-O 3.24Å; Q618-Y620 WeakPolarHBondContact O-CD2 3.37Å; Q618-Y620 PolarHBondContact O-N 3.39Å
619	C	91.5	Very high	91.3	Very high	3 Å²	3	42.8 Å²	42.8	2%	0.02	23%	0.233	C	C	.	.			trans	-91.9	89.1	-177.5	-171.7	0	0	0	0	110.8	P575 E578 S579 I582 S617 D621	P575-C619 PolarHBondContact O-SG 2.72Å; E578-C619 HydrophobicContact CB-CB 4.17Å; S579-C619 PolarHBondContact OG-SG 2.6Å; S579-C619 VanDerWaalsContact OG-SG 3.39Å; I582-C619 HydrophobicContact CD1-CB 4.04Å; S617-C619 WeakPolarHBondContact OG-CB 3.38Å; S617-C619 PolarHBondContact OG-N 3.41Å; S617-C619 VanDerWaalsContact OG-N 3.11Å; C619-D621 VanDerWaalsContact C-N 3.3Å
620	Y	92.1	Very high	91.6	Very high	25 Å²	25	42.8 Å²	42.8	10%	0.098	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-75.7	-19.2	179.7	-65.9	-95.5	0	0	0	112.8	Q471 H472 L475 L612 Q618 V622 L623	Q471-Y620 VanDerWaalsContact CD-OH 3.24Å; Q471-Y620 HydrophobicContact CG-CE1 4.16Å; Q471-Y620 PolarHBondContact NE2-OH 3.02Å; Q471-Y620 PolarHBondContact OE1-OH 3.18Å; H472-Y620 AromaticContact CD2-CD1 3.49Å; H472-Y620 VanDerWaalsContact CD2-CD1 3.49Å; H472-Y620 WeakPolarHBondContact CD2-CD1 3.21Å; H472-Y620 AromaticContact CD2-CE1 3.43Å; H472-Y620 VanDerWaalsContact CD2-CE1 3.43Å; H472-Y620 WeakPolarHBondContact CD2-CE1 3.42Å; H472-Y620 AromaticContact NE2-CE1 3.75Å; L475-Y620 HydrophobicContact CB-CG 4.3Å; L475-Y620 HydrophobicContact CD1-CD1 3.77Å; L475-Y620 HydrophobicContact CD1-CD2 3.4Å; L475-Y620 VanDerWaalsContact CD1-CD2 3.4Å; L475-Y620 HydrophobicContact CD1-CE1 3.76Å; L475-Y620 HydrophobicContact CD1-CE2 3.43Å; L475-Y620 VanDerWaalsContact CD1-CE2 3.43Å; L475-Y620 HydrophobicContact CD1-CG 3.58Å; L612-Y620 HydrophobicContact CD1-CD1 3.79Å; L612-Y620 HydrophobicContact CD1-CE1 3.92Å; L612-Y620 HydrophobicContact CD1-CG 4.46Å; L612-Y620 HydrophobicContact CD2-CD1 4.25Å; L612-Y620 HydrophobicContact CD2-CD2 4.31Å; L612-Y620 HydrophobicContact CD2-CE1 4.11Å; L612-Y620 HydrophobicContact CD2-CE2 4.13Å; L612-Y620 HydrophobicContact CD2-CG 4.37Å; L612-Y620 HydrophobicContact CG-CE1 4.5Å; Q618-Y620 WeakPolarHBondContact O-CD2 3.37Å; Q618-Y620 PolarHBondContact O-N 3.39Å; Y620-V622 PolarHBondContact O-N 3.13Å; Y620-L623 HydrophobicContact CD1-CD1 4.17Å; Y620-L623 VanDerWaalsContact O-CB 3.3Å; Y620-L623 WeakPolarHBondContact O-CB 3.19Å; Y620-L623 PolarHBondContact O-N 2.62Å
621	D	94.2	Very high	92	Very high	11 Å²	11	38.6 Å²	38.6	6%	0.059	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-58.1	-30.3	-179.5	-74.2	-77.9	0	0	0	112.7	S479 R482 P575 C619 L623 S624	S479-D621 VanDerWaalsContact CB-OD1 3.31Å; S479-D621 WeakPolarHBondContact CB-OD1 3.27Å; S479-D621 PolarHBondContact OG-OD1 2.83Å; R482-D621 IonicContact CZ-OD1 3.78Å; R482-D621 IonicContact CZ-OD2 3.54Å; R482-D621 IonicContact NH1-OD1 3.54Å; R482-D621 IonicContact NH1-OD2 3.92Å; R482-D621 PolarHBondContact NH1-OD2 2.99Å; R482-D621 IonicContact NH2-OD1 3.49Å; R482-D621 PolarHBondContact NH2-OD1 3.36Å; R482-D621 IonicContact NH2-OD2 2.68Å; P575-D621 HydrophobicContact CB-CB 4.27Å; P575-D621 WeakPolarHBondContact CB-OD2 3.34Å; C619-D621 VanDerWaalsContact C-N 3.3Å; D621-L623 PolarHBondContact O-N 2.71Å; D621-S624 WeakPolarHBondContact O-CB 3.39Å; D621-S624 PolarHBondContact O-N 2.94Å; D621-S624 VanDerWaalsContact O-N 3.08Å
622	V	95.4	Very high	92.2	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-61.3	-28.3	176.1	-173.6	0	0	0	0	112.7	S579 I582 I583 V604 T608 Y620 S624 Q628	S579-V622 VanDerWaalsContact CB-CG2 3.47Å; S579-V622 WeakPolarHBondContact OG-CG2 3.43Å; I582-V622 HydrophobicContact CB-CG2 4.3Å; I582-V622 HydrophobicContact CD1-CG2 3.94Å; I582-V622 HydrophobicContact CG2-CG1 4.23Å; I582-V622 HydrophobicContact CG2-CG2 4.45Å; I583-V622 HydrophobicContact CD1-CG1 4.48Å; I583-V622 HydrophobicContact CG1-CG1 4.25Å; V604-V622 HydrophobicContact CG1-CG1 3.75Å; T608-V622 HydrophobicContact CG2-CB 3.79Å; T608-V622 HydrophobicContact CG2-CG1 4.05Å; T608-V622 WeakPolarHBondContact OG1-CG1 3.28Å; Y620-V622 PolarHBondContact O-N 3.13Å; V622-S624 PolarHBondContact O-N 3.34Å; V622-Q628 WeakPolarHBondContact O-CG 3.46Å; V622-Q628 PolarHBondContact O-NE2 2.93Å
623	L	94.4	Very high	92.5	Very high	2 Å²	2	38.8 Å²	38.8	1%	0.01	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-65.1	-21.4	179	-62.6	175.5	0	0	0	112.1	L298 H472 L476 T608 L612 Y620 D621 S625	L298-L623 HydrophobicContact CD2-CB 3.88Å; L298-L623 HydrophobicContact CD2-CD1 4.41Å; H472-L623 HydrophobicContact CB-CD1 3.99Å; L476-L623 HydrophobicContact CD1-CB 4.29Å; T608-L623 HydrophobicContact CG2-CD2 3.74Å; T608-L623 HydrophobicContact CG2-CG 4.14Å; L612-L623 HydrophobicContact CD1-CD1 3.77Å; L612-L623 HydrophobicContact CD1-CD2 4.27Å; L612-L623 HydrophobicContact CD1-CG 4.14Å; Y620-L623 HydrophobicContact CD1-CD1 4.17Å; Y620-L623 VanDerWaalsContact O-CB 3.3Å; Y620-L623 WeakPolarHBondContact O-CB 3.19Å; Y620-L623 PolarHBondContact O-N 2.62Å; D621-L623 PolarHBondContact O-N 2.71Å; L623-S625 PolarHBondContact O-N 3.14Å
624	S	95.2	Very high	93	Very high	5 Å²	5	33.3 Å²	33.3	4%	0.035	19%	0.189	C	C	.	.			trans	-67.6	119.4	177.1	-176.9	0	0	0	0	111.3	L297 D621 V622 D626 V627 Q628	L297-S624 WeakPolarHBondContact CD2-OG 3.05Å; D621-S624 WeakPolarHBondContact O-CB 3.39Å; D621-S624 PolarHBondContact O-N 2.94Å; D621-S624 VanDerWaalsContact O-N 3.08Å; V622-S624 PolarHBondContact O-N 3.34Å; S624-D626 PolarHBondContact O-N 3.33Å; S624-V627 PolarHBondContact O-N 3.3Å; S624-V627 VanDerWaalsContact O-N 3.1Å; S624-Q628 WeakPolarHBondContact O-CG 2.78Å; S624-Q628 PolarHBondContact O-N 2.94Å; S624-Q628 VanDerWaalsContact O-N 3.1Å
625	S	94.5	Very high	93.4	Very high	9 Å²	9	26.9 Å²	26.9	6%	0.063	16%	0.159	C	C	.	.	H	α-helix	trans	-61.4	-22.8	174.8	64.7	0	0	0	0	113.6	L297 L623 K629	L297-S625 VanDerWaalsContact O-CB 3.26Å; L297-S625 WeakPolarHBondContact O-CB 3.48Å; L297-S625 PolarHBondContact O-N 3.18Å; L297-S625 PolarHBondContact O-OG 3.27Å; L623-S625 PolarHBondContact O-N 3.14Å; S625-K629 WeakPolarHBondContact O-CB 3.38Å; S625-K629 WeakPolarHBondContact O-CD 3.47Å; S625-K629 WeakPolarHBondContact O-CG 3.42Å; S625-K629 PolarHBondContact O-N 3.21Å
626	D	94.3	Very high	94	Very high	29 Å²	29	26.5 Å²	26.5	16%	0.155	15%	0.146	C	C	.	.	H	α-helix	trans	-65.5	-48.8	172.1	-78.4	-0.3	0	0	0	110.8	S249 L297 S624 Q628 K629 N630	S249-D626 WeakPolarHBondContact CB-OD2 3.36Å; S249-D626 PolarHBondContact OG-OD2 3.1Å; L297-D626 HydrophobicContact CD2-CB 3.99Å; L297-D626 VanDerWaalsContact CD2-CG 3.47Å; S624-D626 PolarHBondContact O-N 3.33Å; D626-Q628 VanDerWaalsContact C-N 3.33Å; D626-Q628 PolarHBondContact O-N 3.29Å; D626-K629 PolarHBondContact O-N 3.49Å; D626-N630 WeakPolarHBondContact O-CB 2.98Å; D626-N630 PolarHBondContact O-N 2.85Å; D626-N630 PolarHBondContact O-OD1 3.46Å
627	V	95.8	Very high	94.4	Very high	4 Å²	4	26.9 Å²	26.9	2%	0.024	14%	0.136	C	C	.	.	H	α-helix	trans	-62.1	-42.9	177.9	173.7	0	0	0	0	110.5	S624 K629 N630 A631	S624-V627 PolarHBondContact O-N 3.3Å; S624-V627 VanDerWaalsContact O-N 3.1Å; V627-K629 PolarHBondContact O-N 3.47Å; V627-N630 PolarHBondContact O-N 3.47Å; V627-A631 VanDerWaalsContact O-CB 3.27Å; V627-A631 WeakPolarHBondContact O-CB 3.33Å; V627-A631 PolarHBondContact O-N 3.3Å
628	Q	96.6	Very high	94.7	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-61.2	-44.9	177.3	-64.1	166.7	1.3	0	0	112.2	Y600 L601 V604 V622 S624 D626 A631 L632	Y600-Q628 HydrophobicContact CE1-CB 4.08Å; Y600-Q628 WeakPolarHBondContact CE1-O 3.47Å; Y600-Q628 PolarHBondContact OH-O 3.06Å; L601-Q628 HydrophobicContact CD2-CB 3.45Å; L601-Q628 VanDerWaalsContact CD2-CB 3.45Å; L601-Q628 HydrophobicContact CD2-CG 4.43Å; L601-Q628 PolarHBondContact O-OE1 3.36Å; V604-Q628 HydrophobicContact CB-CG 4.5Å; V604-Q628 HydrophobicContact CG1-CG 3.94Å; V622-Q628 WeakPolarHBondContact O-CG 3.46Å; V622-Q628 PolarHBondContact O-NE2 2.93Å; S624-Q628 WeakPolarHBondContact O-CG 2.78Å; S624-Q628 PolarHBondContact O-N 2.94Å; S624-Q628 VanDerWaalsContact O-N 3.1Å; D626-Q628 VanDerWaalsContact C-N 3.33Å; D626-Q628 PolarHBondContact O-N 3.29Å; Q628-A631 PolarHBondContact O-N 3.13Å; Q628-L632 WeakPolarHBondContact O-CB 3.22Å; Q628-L632 PolarHBondContact O-N 3Å
629	K	95.6	Very high	95	Very high	84 Å²	84	24.4 Å²	24.4	37%	0.365	13%	0.133	S	C	.	.	H	α-helix	trans	-65.7	-41.9	178.1	-74.3	169.5	-175.2	166.6	0	111.9	L601 S625 D626 V627 L632 A633	L601-K629 HydrophobicContact CD1-CG 4.36Å; L601-K629 HydrophobicContact CD2-CG 3.94Å; S625-K629 WeakPolarHBondContact O-CB 3.38Å; S625-K629 WeakPolarHBondContact O-CD 3.47Å; S625-K629 WeakPolarHBondContact O-CG 3.42Å; S625-K629 PolarHBondContact O-N 3.21Å; D626-K629 PolarHBondContact O-N 3.49Å; V627-K629 PolarHBondContact O-N 3.47Å; K629-L632 PolarHBondContact O-N 2.93Å; K629-A633 WeakPolarHBondContact O-CB 3.47Å; K629-A633 PolarHBondContact O-N 3.22Å
630	N	96.1	Very high	95.1	Very high	34 Å²	34	24.5 Å²	24.5	18%	0.182	13%	0.134	C	C	.	.	H	α-helix	trans	-65.1	-43.6	177.9	-71.8	-5.5	0	0	0	111.2	K251 D523 E524 D626 V627 A633 A634	K251-N630 PolarHBondContact NZ-ND2 3.27Å; D523-N630 HydrophobicContact CB-CB 4.1Å; D523-N630 PolarHBondContact O-ND2 3.27Å; D523-N630 VanDerWaalsContact O-ND2 3.13Å; E524-N630 VanDerWaalsContact CD-CB 3.49Å; E524-N630 HydrophobicContact CG-CB 4.17Å; E524-N630 WeakPolarHBondContact OE1-CB 3.18Å; E524-N630 PolarHBondContact OE2-ND2 3.22Å; D626-N630 WeakPolarHBondContact O-CB 2.98Å; D626-N630 PolarHBondContact O-N 2.85Å; D626-N630 PolarHBondContact O-OD1 3.46Å; V627-N630 PolarHBondContact O-N 3.47Å; N630-A633 PolarHBondContact O-N 2.91Å; N630-A634 WeakPolarHBondContact O-CB 3.17Å; N630-A634 PolarHBondContact O-N 3.27Å
631	A	96.9	Very high	95.2	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-62.6	-42.9	174.4	0	0	0	0	0	112.2	Y580 I583 V627 Q628 A633 A634 C635	Y580-A631 HydrophobicContact CD1-CB 4.32Å; Y580-A631 HydrophobicContact CD2-CB 4.17Å; Y580-A631 HydrophobicContact CE1-CB 4.04Å; Y580-A631 HydrophobicContact CE2-CB 3.87Å; Y580-A631 HydrophobicContact CG-CB 4.4Å; I583-A631 HydrophobicContact CD1-CB 3.39Å; I583-A631 HydrophobicContact CG2-CB 4.44Å; V627-A631 VanDerWaalsContact O-CB 3.27Å; V627-A631 WeakPolarHBondContact O-CB 3.33Å; V627-A631 PolarHBondContact O-N 3.3Å; Q628-A631 PolarHBondContact O-N 3.13Å; A631-A633 PolarHBondContact O-N 3.18Å; A631-A634 PolarHBondContact O-N 3.46Å; A631-C635 WeakPolarHBondContact O-CB 3.49Å; A631-C635 PolarHBondContact O-N 3.04Å; A631-C635 PolarHBondContact O-SG 2.88Å
632	L	96.4	Very high	95.1	Very high	7 Å²	7	27.5 Å²	27.5	4%	0.037	15%	0.149	C	C	.	.	H	α-helix	trans	-62.1	-43.5	174.7	-176.7	61.9	0	0	0	111.7	F595 E597 Y600 Q628 K629 A634 C635 V636 V641 F652	F595-L632 HydrophobicContact CE2-CD1 4.2Å; F595-L632 HydrophobicContact CZ-CD1 4.4Å; E597-L632 HydrophobicContact CG-CD2 4.06Å; Y600-L632 HydrophobicContact CD1-CB 4.43Å; Y600-L632 HydrophobicContact CD1-CD2 3.89Å; Y600-L632 HydrophobicContact CE1-CB 3.81Å; Y600-L632 HydrophobicContact CE1-CD2 4.12Å; Y600-L632 HydrophobicContact CE1-CG 4.37Å; Y600-L632 HydrophobicContact CE2-CD1 4.46Å; Y600-L632 HydrophobicContact CG-CD2 4.38Å; Q628-L632 WeakPolarHBondContact O-CB 3.22Å; Q628-L632 PolarHBondContact O-N 3Å; K629-L632 PolarHBondContact O-N 2.93Å; L632-A634 VanDerWaalsContact C-N 3.34Å; L632-A634 PolarHBondContact O-N 3.04Å; L632-C635 PolarHBondContact O-N 3.34Å; L632-V636 WeakPolarHBondContact O-CG2 3.42Å; L632-V636 PolarHBondContact O-N 3.47Å; L632-V641 HydrophobicContact CD1-CG1 4.26Å; L632-F652 HydrophobicContact CD1-CD1 4.15Å; L632-F652 HydrophobicContact CD1-CE1 4.4Å; L632-F652 HydrophobicContact CD2-CE1 4.14Å; L632-F652 HydrophobicContact CD2-CE2 4.29Å; L632-F652 HydrophobicContact CD2-CZ 4.01Å; L632-F652 HydrophobicContact CG-CE1 4.28Å
633	A	95.3	Very high	95	Very high	40 Å²	40	33.2 Å²	33.2	33%	0.331	17%	0.173	S	C	.	.	H	α-helix	trans	-61.3	-42.5	175.9	0	0	0	0	0	112	D523 K629 N630 A631 V636 R637	D523-A633 HydrophobicContact CB-CB 4.47Å; K629-A633 WeakPolarHBondContact O-CB 3.47Å; K629-A633 PolarHBondContact O-N 3.22Å; N630-A633 PolarHBondContact O-N 2.91Å; A631-A633 PolarHBondContact O-N 3.18Å; A633-V636 PolarHBondContact O-N 3.26Å; A633-R637 PolarHBondContact O-N 2.91Å
634	A	95.7	Very high	94.8	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.008	19%	0.192	C	C	.	.	H	α-helix	trans	-64.2	-45.8	175.2	0	0	0	0	0	111.7	V520 D523 Y580 N630 A631 L632 V636 R637 L638	V520-A634 WeakPolarHBondContact O-CB 3.29Å; D523-A634 WeakPolarHBondContact OD2-CA 3.25Å; D523-A634 WeakPolarHBondContact OD2-CB 3.29Å; D523-A634 PolarHBondContact OD2-N 2.98Å; D523-A634 VanDerWaalsContact OD2-N 3.16Å; Y580-A634 HydrophobicContact CE1-CB 3.79Å; N630-A634 WeakPolarHBondContact O-CB 3.17Å; N630-A634 PolarHBondContact O-N 3.27Å; A631-A634 PolarHBondContact O-N 3.46Å; L632-A634 VanDerWaalsContact C-N 3.34Å; L632-A634 PolarHBondContact O-N 3.04Å; A634-V636 VanDerWaalsContact C-N 3.26Å; A634-V636 PolarHBondContact O-N 3.07Å; A634-R637 PolarHBondContact O-N 3.47Å; A634-R637 VanDerWaalsContact O-N 3.13Å; A634-L638 WeakPolarHBondContact O-CB 3.3Å; A634-L638 VanDerWaalsContact O-CG 3.25Å; A634-L638 WeakPolarHBondContact O-CG 3.47Å; A634-L638 PolarHBondContact O-N 3.37Å
635	C	96	Very high	94.4	Very high	2 Å²	2	44.3 Å²	44.3	1%	0.014	22%	0.221	C	C	.	.	H	α-helix	trans	-58.2	-38.9	175.4	-75.1	0	0	0	0	111.9	A631 L632 G639 V640 V641	A631-C635 WeakPolarHBondContact O-CB 3.49Å; A631-C635 PolarHBondContact O-N 3.04Å; A631-C635 PolarHBondContact O-SG 2.88Å; L632-C635 PolarHBondContact O-N 3.34Å; C635-G639 PolarHBondContact O-N 3.2Å; C635-V640 HydrophobicContact CB-CB 3.97Å; C635-V640 HydrophobicContact CB-CG1 4.16Å; C635-V640 WeakPolarHBondContact O-CB 3.27Å; C635-V640 PolarHBondContact O-N 3.09Å; C635-V641 HydrophobicContact CB-CB 4.17Å; C635-V641 HydrophobicContact CB-CG2 3.83Å; C635-V641 PolarHBondContact O-N 3.14Å; C635-V641 VanDerWaalsContact O-N 3.12Å
636	V	95.6	Very high	93.7	Very high	47 Å²	47	48.1 Å²	48.1	29%	0.285	24%	0.239	S	C	.	.	H	α-helix	trans	-66.3	-45.8	174.2	172.6	0	0	0	0	111.6	L632 A633 A634 L638 G639 V641 K643 F652	L632-V636 WeakPolarHBondContact O-CG2 3.42Å; L632-V636 PolarHBondContact O-N 3.47Å; A633-V636 PolarHBondContact O-N 3.26Å; A634-V636 VanDerWaalsContact C-N 3.26Å; A634-V636 PolarHBondContact O-N 3.07Å; V636-L638 VanDerWaalsContact C-N 3.3Å; V636-L638 PolarHBondContact O-N 2.87Å; V636-G639 PolarHBondContact O-N 3.4Å; V636-V641 WeakPolarHBondContact CA-O 3.47Å; V636-V641 HydrophobicContact CG2-CB 4.22Å; V636-V641 HydrophobicContact CG2-CG1 4.19Å; V636-K643 HydrophobicContact CG1-CB 4Å; V636-K643 HydrophobicContact CG2-CB 4.22Å; V636-F652 HydrophobicContact CG2-CD1 4.04Å; V636-F652 HydrophobicContact CG2-CE1 3.96Å
637	R	94.8	Very high	92.3	Very high	109 Å²	109	54 Å²	54	41%	0.411	27%	0.271	S	S	.	.	H	α-helix	trans	-61.6	-38.5	177.4	177.9	178.5	56.3	-96.4	-6.5	112.2	D519 D523 A633 A634 G639	D519-R637 PolarHBondContact O-NE 3.45Å; D519-R637 PolarHBondContact O-NH2 3.44Å; D523-R637 IonicContact OD1-NH1 3.52Å; D523-R637 PolarHBondContact OD1-NH1 3.42Å; D523-R637 IonicContact OD2-CZ 3.28Å; D523-R637 IonicContact OD2-NH1 2.9Å; D523-R637 PolarHBondContact OD2-NH1 3.3Å; D523-R637 IonicContact OD2-NH2 3.33Å; D523-R637 PolarHBondContact OD2-NH2 2.97Å; A633-R637 PolarHBondContact O-N 2.91Å; A634-R637 PolarHBondContact O-N 3.47Å; A634-R637 VanDerWaalsContact O-N 3.13Å; R637-G639 VanDerWaalsContact C-N 3.28Å; R637-G639 PolarHBondContact O-N 3.23Å
638	L	94.3	Very high	91	Very high	66 Å²	66	60.2 Å²	60.2	35%	0.346	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-1.4	-177.9	-64.6	174.1	0	0	0	113.4	V520 A634 V636 V640 L662	V520-L638 HydrophobicContact CG2-CD1 3.89Å; A634-L638 WeakPolarHBondContact O-CB 3.3Å; A634-L638 VanDerWaalsContact O-CG 3.25Å; A634-L638 WeakPolarHBondContact O-CG 3.47Å; A634-L638 PolarHBondContact O-N 3.37Å; V636-L638 VanDerWaalsContact C-N 3.3Å; V636-L638 PolarHBondContact O-N 2.87Å; L638-V640 HydrophobicContact CB-CG2 4.11Å; L638-V640 PolarHBondContact O-N 3.4Å; L638-L662 HydrophobicContact CD1-CD1 4.41Å; L638-L662 HydrophobicContact CD1-CD2 4.41Å
639	G	93.9	Very high	90	Very high	35 Å²	35	65.8 Å²	65.8	36%	0.361	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.7	15	-179.1	0	0	0	0	0	114.5	C635 V636 R637 N655	C635-G639 PolarHBondContact O-N 3.2Å; V636-G639 PolarHBondContact O-N 3.4Å; R637-G639 VanDerWaalsContact C-N 3.28Å; R637-G639 PolarHBondContact O-N 3.23Å; G639-N655 PolarHBondContact O-ND2 3.38Å
640	V	94.1	Very high	89.5	Confident	4 Å²	4	63.7 Å²	63.7	2%	0.024	33%	0.329	C	S	.	.	S	Bend	trans	-74.8	-32.7	174.3	176	0	0	0	0	110.8	C635 L638 N655 A658 T659 L662	C635-V640 HydrophobicContact CB-CB 3.97Å; C635-V640 HydrophobicContact CB-CG1 4.16Å; C635-V640 WeakPolarHBondContact O-CB 3.27Å; C635-V640 PolarHBondContact O-N 3.09Å; L638-V640 HydrophobicContact CB-CG2 4.11Å; L638-V640 PolarHBondContact O-N 3.4Å; V640-N655 WeakPolarHBondContact O-CB 3.38Å; V640-N655 PolarHBondContact O-N 3.18Å; V640-A658 HydrophobicContact CG2-CB 4.29Å; V640-T659 HydrophobicContact CG1-CG2 4.07Å; V640-T659 VanDerWaalsContact CG1-OG1 3.23Å; V640-T659 WeakPolarHBondContact CG1-OG1 3.47Å; V640-L662 HydrophobicContact CG1-CD2 4.5Å; V640-L662 HydrophobicContact CG2-CB 4.22Å; V640-L662 HydrophobicContact CG2-CD2 3.84Å
641	V	94.1	Very high	89.3	Confident	2 Å²	2	63.7 Å²	63.7	1%	0.012	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	128.3	176.1	174.6	0	0	0	0	109.3	L587 F595 L632 C635 V636 F652 N653	L587-V641 HydrophobicContact CD1-CG2 4Å; F595-V641 HydrophobicContact CZ-CG1 4.3Å; L632-V641 HydrophobicContact CD1-CG1 4.26Å; C635-V641 HydrophobicContact CB-CB 4.17Å; C635-V641 HydrophobicContact CB-CG2 3.83Å; C635-V641 PolarHBondContact O-N 3.14Å; C635-V641 VanDerWaalsContact O-N 3.12Å; V636-V641 WeakPolarHBondContact CA-O 3.47Å; V636-V641 HydrophobicContact CG2-CB 4.22Å; V636-V641 HydrophobicContact CG2-CG1 4.19Å; V641-F652 HydrophobicContact CG1-CB 3.65Å; V641-F652 HydrophobicContact CG1-CD1 3.8Å; V641-F652 HydrophobicContact CG1-CG 4.19Å; V641-N653 CarbonylContact C-O 3.59Å; V641-N653 WeakPolarHBondContact CA-O 3.39Å
642	E	92.9	Very high	89.1	Confident	98 Å²	98	64 Å²	64	46%	0.458	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	129	172.7	-68.3	-173.7	175.5	0	0	110.6	K644 F652 N653	E642-K644 VanDerWaalsContact OE2-CE 3.3Å; E642-K644 WeakPolarHBondContact OE2-CE 3.29Å; E642-K644 IonicContact OE2-NZ 2.64Å; E642-K644 PolarHBondContact OE2-NZ 2.74Å; E642-K644 VanDerWaalsContact OE2-NZ 3.11Å; E642-F652 CarbonylContact O-C 3.53Å; E642-F652 VanDerWaalsContact O-CA 3.27Å; E642-F652 WeakPolarHBondContact O-CA 3.42Å; E642-N653 HydrophobicContact CB-CB 4.41Å; E642-N653 PolarHBondContact N-O 3.22Å; E642-N653 PolarHBondContact O-N 3.05Å
643	K	93.2	Very high	88.9	Confident	119 Å²	119	65.4 Å²	65.4	52%	0.517	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	120.4	174.2	-177.3	178.3	-177.3	170.8	0	110.8	V636 C650 F652	V636-K643 HydrophobicContact CG1-CB 4Å; V636-K643 HydrophobicContact CG2-CB 4.22Å; K643-C650 WeakPolarHBondContact CE-SG 3.28Å; K643-F652 HydrophobicContact CB-CD1 4.11Å; K643-F652 HydrophobicContact CB-CE1 4Å; K643-F652 HydrophobicContact CD-CE1 3.89Å; K643-F652 HydrophobicContact CD-CZ 4.31Å; K643-F652 HydrophobicContact CG-CD1 4.21Å; K643-F652 HydrophobicContact CG-CE1 3.73Å; K643-F652 HydrophobicContact CG-CZ 4.27Å
644	K	90.4	Very high	88.9	Confident	92 Å²	92	65.3 Å²	65.3	40%	0.4	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	138.6	174.9	-66.5	174.4	-174.2	157.8	0	110.2	E642 C650 I651 N653	E642-K644 VanDerWaalsContact OE2-CE 3.3Å; E642-K644 WeakPolarHBondContact OE2-CE 3.29Å; E642-K644 IonicContact OE2-NZ 2.64Å; E642-K644 PolarHBondContact OE2-NZ 2.74Å; E642-K644 VanDerWaalsContact OE2-NZ 3.11Å; K644-C650 WeakPolarHBondContact O-CA 3.3Å; K644-I651 PolarHBondContact N-O 3.5Å; K644-I651 PolarHBondContact O-N 2.95Å; K644-N653 PolarHBondContact NZ-ND2 3.2Å
645	K	85.4	Confident	88.8	Confident	149 Å²	149	68.1 Å²	68.1	65%	0.648	35%	0.348	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.9	115.2	177.6	-167.5	176.4	179.4	-178.1	0	109.5	N649	K645-N649 WeakPolarHBondContact CA-O 3.32Å
646	I	79.5	Confident	88.5	Confident	88 Å²	88	74.2 Å²	74.2	45%	0.451	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	122.1	178.3	-52.8	-167.3	0	0	0	108.4	N648 N649 I651	I646-N648 VanDerWaalsContact C-N 3.31Å; I646-N648 PolarHBondContact O-N 3.35Å; I646-N649 PolarHBondContact N-O 2.89Å; I646-N649 WeakPolarHBondContact O-CA 3.42Å; I646-N649 PolarHBondContact O-N 2.8Å; I646-N649 VanDerWaalsContact O-O 3.09Å; I646-I651 HydrophobicContact CB-CD1 4.16Å; I646-I651 HydrophobicContact CD1-CD1 3.77Å; I646-I651 HydrophobicContact CG1-CD1 4.1Å
647	N	66.4	Low	88.4	Confident	154 Å²	154	76.7 Å²	76.7	82%	0.824	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.7	46.4	176.1	-62.6	-15	0	0	0	114.2	N649	N647-N649 PolarHBondContact O-N 3.05Å; N647-N649 VanDerWaalsContact O-N 3.17Å
648	N	67.8	Low	88.3	Confident	134 Å²	134	72.7 Å²	72.7	72%	0.717	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.9	-5.7	-173.2	-77.6	-17.6	0	0	0	117.3	I646	I646-N648 VanDerWaalsContact C-N 3.31Å; I646-N648 PolarHBondContact O-N 3.35Å
649	N	74.8	Confident	88.3	Confident	117 Å²	117	69.6 Å²	69.6	63%	0.626	37%	0.367	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.4	144.4	172.6	-68	-11.2	0	0	0	110.8	K645 I646 N647	K645-N649 WeakPolarHBondContact CA-O 3.32Å; I646-N649 PolarHBondContact N-O 2.89Å; I646-N649 WeakPolarHBondContact O-CA 3.42Å; I646-N649 PolarHBondContact O-N 2.8Å; I646-N649 VanDerWaalsContact O-O 3.09Å; N647-N649 PolarHBondContact O-N 3.05Å; N647-N649 VanDerWaalsContact O-N 3.17Å
650	C	85.3	Confident	88.2	Confident	39 Å²	39	70.5 Å²	70.5	26%	0.264	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	127.3	173.5	-64.4	0	0	0	0	109.1	K643 K644 F652	K643-C650 WeakPolarHBondContact CE-SG 3.28Å; K644-C650 WeakPolarHBondContact O-CA 3.3Å; C650-F652 HydrophobicContact CB-CE2 3.94Å; C650-F652 HydrophobicContact CB-CZ 4.02Å
651	I	92.1	Very high	88.2	Confident	35 Å²	35	76.6 Å²	76.6	18%	0.179	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	143.1	175.5	-58.7	-175.6	0	0	0	107.8	H594 K644 I646	H594-I651 HydrophobicContact CB-CG2 3.51Å; K644-I651 PolarHBondContact N-O 3.5Å; K644-I651 PolarHBondContact O-N 2.95Å; I646-I651 HydrophobicContact CB-CD1 4.16Å; I646-I651 HydrophobicContact CD1-CD1 3.77Å; I646-I651 HydrophobicContact CG1-CD1 4.1Å
652	F	93.5	Very high	88.1	Confident	5 Å²	5	76.9 Å²	76.9	2%	0.022	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	135.9	-173.7	-61.5	-88.3	0	0	0	110.4	H594 F595 E597 L632 V636 V641 E642 K643 C650	H594-F652 CarbonylContact C-O 3.58Å; H594-F652 VanDerWaalsContact CA-O 3.27Å; H594-F652 WeakPolarHBondContact CA-O 3.44Å; F595-F652 HydrophobicContact CD1-CB 4.48Å; F595-F652 HydrophobicContact CD2-CB 3.81Å; F595-F652 HydrophobicContact CD2-CD2 4.29Å; F595-F652 HydrophobicContact CD2-CG 4.41Å; F595-F652 HydrophobicContact CE1-CB 4.11Å; F595-F652 HydrophobicContact CE2-CB 3.4Å; F595-F652 VanDerWaalsContact CE2-CB 3.4Å; F595-F652 HydrophobicContact CE2-CD2 4.19Å; F595-F652 AromaticContact CE2-CG 3.97Å; F595-F652 HydrophobicContact CE2-CG 3.97Å; F595-F652 HydrophobicContact CG-CB 4.35Å; F595-F652 HydrophobicContact CZ-CB 3.57Å; F595-F652 HydrophobicContact CZ-CG 4.48Å; F595-F652 PolarHBondContact N-O 2.64Å; F595-F652 PolarHBondContact O-N 2.94Å; E597-F652 HydrophobicContact CB-CE2 3.93Å; L632-F652 HydrophobicContact CD1-CD1 4.15Å; L632-F652 HydrophobicContact CD1-CE1 4.4Å; L632-F652 HydrophobicContact CD2-CE1 4.14Å; L632-F652 HydrophobicContact CD2-CE2 4.29Å; L632-F652 HydrophobicContact CD2-CZ 4.01Å; L632-F652 HydrophobicContact CG-CE1 4.28Å; V636-F652 HydrophobicContact CG2-CD1 4.04Å; V636-F652 HydrophobicContact CG2-CE1 3.96Å; V641-F652 HydrophobicContact CG1-CB 3.65Å; V641-F652 HydrophobicContact CG1-CD1 3.8Å; V641-F652 HydrophobicContact CG1-CG 4.19Å; E642-F652 CarbonylContact O-C 3.53Å; E642-F652 VanDerWaalsContact O-CA 3.27Å; E642-F652 WeakPolarHBondContact O-CA 3.42Å; K643-F652 HydrophobicContact CB-CD1 4.11Å; K643-F652 HydrophobicContact CB-CE1 4Å; K643-F652 HydrophobicContact CD-CE1 3.89Å; K643-F652 HydrophobicContact CD-CZ 4.31Å; K643-F652 HydrophobicContact CG-CD1 4.21Å; K643-F652 HydrophobicContact CG-CE1 3.73Å; K643-F652 HydrophobicContact CG-CZ 4.27Å; C650-F652 HydrophobicContact CB-CE2 3.94Å; C650-F652 HydrophobicContact CB-CZ 4.02Å
653	N	92.8	Very high	88.2	Confident	38 Å²	38	73.2 Å²	73.2	20%	0.203	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	136.4	178	-61.2	12.6	0	0	0	109.6	D593 H594 V641 E642 K644	D593-N653 PolarHBondContact O-OD1 2.88Å; H594-N653 WeakPolarHBondContact CB-OD1 3.34Å; V641-N653 CarbonylContact C-O 3.59Å; V641-N653 WeakPolarHBondContact CA-O 3.39Å; E642-N653 HydrophobicContact CB-CB 4.41Å; E642-N653 PolarHBondContact N-O 3.22Å; E642-N653 PolarHBondContact O-N 3.05Å; K644-N653 PolarHBondContact NZ-ND2 3.2Å
654	V	93.9	Very high	88	Confident	38 Å²	38	70.8 Å²	70.8	23%	0.23	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	134.9	-179.5	-173.2	0	0	0	0	110.6	L587 F595 T659	L587-V654 HydrophobicContact CB-CG1 4.23Å; L587-V654 HydrophobicContact CB-CG2 4.3Å; L587-V654 HydrophobicContact CD2-CG2 4.01Å; F595-V654 HydrophobicContact CE1-CG2 3.72Å; V654-T659 WeakPolarHBondContact CG1-OG1 3.2Å
655	N	93.3	Very high	87.9	Confident	59 Å²	59	67.8 Å²	67.8	32%	0.316	36%	0.355	S	S	.	.			trans	-96.7	94.6	165.6	-179.6	-18.9	0	0	0	108.2	G639 V640 P657 A658 T659	G639-N655 PolarHBondContact O-ND2 3.38Å; V640-N655 WeakPolarHBondContact O-CB 3.38Å; V640-N655 PolarHBondContact O-N 3.18Å; N655-P657 VanDerWaalsContact OD1-CD 3.29Å; N655-P657 WeakPolarHBondContact OD1-CD 3.49Å; N655-A658 HydrophobicContact CB-CB 4.03Å; N655-A658 PolarHBondContact O-N 3.25Å; N655-A658 PolarHBondContact OD1-N 3.24Å; N655-T659 WeakPolarHBondContact O-CB 3.49Å; N655-T659 PolarHBondContact O-N 3.37Å; N655-T659 PolarHBondContact O-OG1 2.91Å
656	E	91.4	Very high	88.1	Confident	130 Å²	130	60.8 Å²	60.8	61%	0.607	33%	0.325	S	S	*	.	H	α-helix	trans	-53.2	-50.8	-175.3	-75.4	178.7	-161.7	0	0	113.3	A658 T659 T660	E656-A658 VanDerWaalsContact C-N 3.33Å; E656-A658 PolarHBondContact O-N 2.95Å; E656-T659 PolarHBondContact O-N 3.48Å; E656-T659 VanDerWaalsContact O-N 3.12Å; E656-T660 PolarHBondContact O-N 3.08Å; E656-T660 PolarHBondContact O-OG1 3.31Å
657	P	92.8	Very high	88.2	Confident	100 Å²	100	57.9 Å²	57.9	65%	0.649	32%	0.316	S	S	*	.	H	α-helix	trans	-56.2	-42.9	176.9	-26.5	31.9	0	0	0	114.2	N655 K661	N655-P657 VanDerWaalsContact OD1-CD 3.29Å; N655-P657 WeakPolarHBondContact OD1-CD 3.49Å; P657-K661 WeakPolarHBondContact O-CB 3.37Å; P657-K661 PolarHBondContact O-N 3.43Å; P657-K661 VanDerWaalsContact O-N 3.12Å
658	A	93	Very high	88.6	Confident	25 Å²	25	53.8 Å²	53.8	21%	0.207	30%	0.299	C	S	.	.	H	α-helix	trans	-69.4	-35.7	178.5	0	0	0	0	0	111.7	V640 N655 E656 K661 L662	V640-A658 HydrophobicContact CG2-CB 4.29Å; N655-A658 HydrophobicContact CB-CB 4.03Å; N655-A658 PolarHBondContact O-N 3.25Å; N655-A658 PolarHBondContact OD1-N 3.24Å; E656-A658 VanDerWaalsContact C-N 3.33Å; E656-A658 PolarHBondContact O-N 2.95Å; A658-K661 PolarHBondContact O-N 3.45Å; A658-L662 PolarHBondContact O-N 2.9Å
659	T	93.1	Very high	88.2	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-67.3	-46.7	177.9	-50.1	0	0	0	0	111.6	C584 L587 L588 V640 V654 N655 E656 K661 L662 E663	C584-T659 HydrophobicContact CB-CG2 4.1Å; L587-T659 HydrophobicContact CB-CG2 4.08Å; L588-T659 HydrophobicContact CD1-CG2 4.29Å; L588-T659 HydrophobicContact CD2-CG2 3.89Å; L588-T659 HydrophobicContact CG-CG2 3.7Å; V640-T659 HydrophobicContact CG1-CG2 4.07Å; V640-T659 VanDerWaalsContact CG1-OG1 3.23Å; V640-T659 WeakPolarHBondContact CG1-OG1 3.47Å; V654-T659 WeakPolarHBondContact CG1-OG1 3.2Å; N655-T659 WeakPolarHBondContact O-CB 3.49Å; N655-T659 PolarHBondContact O-N 3.37Å; N655-T659 PolarHBondContact O-OG1 2.91Å; E656-T659 PolarHBondContact O-N 3.48Å; E656-T659 VanDerWaalsContact O-N 3.12Å; T659-K661 VanDerWaalsContact C-N 3.33Å; T659-K661 PolarHBondContact O-N 2.91Å; T659-L662 PolarHBondContact O-N 3.46Å; T659-E663 PolarHBondContact O-N 2.72Å
660	T	93.2	Very high	87.4	Confident	55 Å²	55	50.4 Å²	50.4	34%	0.337	28%	0.276	S	S	.	.	H	α-helix	trans	-59.4	-45.3	175.1	-59.1	0	0	0	0	110.9	L588 E656 L662 E663 E664	L588-T660 WeakPolarHBondContact CD2-OG1 3.31Å; E656-T660 PolarHBondContact O-N 3.08Å; E656-T660 PolarHBondContact O-OG1 3.31Å; T660-L662 VanDerWaalsContact C-N 3.34Å; T660-L662 PolarHBondContact O-N 2.96Å; T660-E663 PolarHBondContact O-N 3.28Å; T660-E664 HydrophobicContact CG2-CG 4.45Å; T660-E664 WeakPolarHBondContact O-CG 3.37Å; T660-E664 PolarHBondContact O-N 2.93Å
661	K	92.6	Very high	86	Confident	132 Å²	132	53.9 Å²	53.9	57%	0.574	30%	0.298	S	S	*	.	H	α-helix	trans	-60.1	-43	176.8	-175.3	-179.9	178.1	-175.8	0	112.1	P657 A658 T659 E664 M665	P657-K661 WeakPolarHBondContact O-CB 3.37Å; P657-K661 PolarHBondContact O-N 3.43Å; P657-K661 VanDerWaalsContact O-N 3.12Å; A658-K661 PolarHBondContact O-N 3.45Å; T659-K661 VanDerWaalsContact C-N 3.33Å; T659-K661 PolarHBondContact O-N 2.91Å; K661-E664 PolarHBondContact O-N 3.45Å; K661-M665 HydrophobicContact CD-SD 4.49Å; K661-M665 HydrophobicContact CG-CG 4.44Å; K661-M665 HydrophobicContact CG-SD 3.97Å; K661-M665 WeakPolarHBondContact O-CB 3.42Å; K661-M665 VanDerWaalsContact O-CG 3.23Å; K661-M665 WeakPolarHBondContact O-CG 3.4Å; K661-M665 PolarHBondContact O-N 2.69Å
662	L	93.6	Very high	84.6	Confident	8 Å²	8	53.7 Å²	53.7	4%	0.042	30%	0.297	C	S	.	.	H	α-helix	trans	-63.9	-44.3	177.4	-178.4	60.7	0	0	0	111.5	F516 V520 L638 V640 A658 T659 T660 E664 M665 L666	F516-L662 HydrophobicContact CE2-CD1 3.92Å; F516-L662 HydrophobicContact CZ-CD1 3.81Å; V520-L662 HydrophobicContact CG2-CD1 4.07Å; L638-L662 HydrophobicContact CD1-CD1 4.41Å; L638-L662 HydrophobicContact CD1-CD2 4.41Å; V640-L662 HydrophobicContact CG1-CD2 4.5Å; V640-L662 HydrophobicContact CG2-CB 4.22Å; V640-L662 HydrophobicContact CG2-CD2 3.84Å; A658-L662 PolarHBondContact O-N 2.9Å; T659-L662 PolarHBondContact O-N 3.46Å; T660-L662 VanDerWaalsContact C-N 3.34Å; T660-L662 PolarHBondContact O-N 2.96Å; L662-E664 PolarHBondContact O-N 3.32Å; L662-M665 PolarHBondContact O-N 2.95Å; L662-L666 HydrophobicContact CD1-CD1 4.06Å; L662-L666 HydrophobicContact CD1-CG 4.17Å; L662-L666 HydrophobicContact CG-CD1 3.99Å; L662-L666 WeakPolarHBondContact O-CB 3.28Å; L662-L666 VanDerWaalsContact O-CG 3.32Å; L662-L666 WeakPolarHBondContact O-CG 3.48Å; L662-L666 PolarHBondContact O-N 2.85Å
663	E	93.3	Very high	82.2	Confident	21 Å²	21	55.7 Å²	55.7	10%	0.098	32%	0.319	C	S	.	.	H	α-helix	trans	-58.6	-46.6	176.3	-165.8	-83.2	170.4	0	0	111.5	C584 K585 T659 T660 L666 G667 K669	C584-E663 HydrophobicContact CB-CB 4Å; C584-E663 HydrophobicContact CB-CG 4.26Å; K585-E663 WeakPolarHBondContact CE-OE1 3.21Å; K585-E663 HydrophobicContact CG-CG 4.42Å; T659-E663 PolarHBondContact O-N 2.72Å; T660-E663 PolarHBondContact O-N 3.28Å; E663-L666 PolarHBondContact O-N 3.47Å; E663-G667 PolarHBondContact O-N 3.24Å; E663-K669 IonicContact OE1-NZ 3.73Å; E663-K669 PolarHBondContact OE1-NZ 2.98Å; E663-K669 VanDerWaalsContact OE1-NZ 3.12Å; E663-K669 IonicContact OE2-NZ 3.5Å; E663-K669 PolarHBondContact OE2-NZ 3.41Å
664	E	89.8	Confident	79.4	Confident	67 Å²	67	63.2 Å²	63.2	31%	0.313	35%	0.35	S	S	.	.	H	α-helix	trans	-65.7	-41.7	-179.3	-73.4	177.9	172.3	0	0	112.4	T660 K661 L662 G667 C668 K669 T670	T660-E664 HydrophobicContact CG2-CG 4.45Å; T660-E664 WeakPolarHBondContact O-CG 3.37Å; T660-E664 PolarHBondContact O-N 2.93Å; K661-E664 PolarHBondContact O-N 3.45Å; L662-E664 PolarHBondContact O-N 3.32Å; E664-G667 CarbonylContact O-C 3.42Å; E664-G667 PolarHBondContact O-N 3.19Å; E664-C668 PolarHBondContact O-N 2.8Å; E664-K669 HydrophobicContact CB-CB 4.26Å; E664-K669 HydrophobicContact CG-CB 4.49Å; E664-K669 HydrophobicContact CG-CD 4.43Å; E664-K669 PolarHBondContact O-N 2.99Å; E664-T670 HydrophobicContact CB-CG2 4.18Å; E664-T670 WeakPolarHBondContact OE2-CG2 3.49Å
665	M	88.9	Confident	76.6	Confident	29 Å²	29	67.7 Å²	67.7	14%	0.143	38%	0.38	C	S	.	.	H	α-helix	trans	-65.1	-44.3	177.7	-74	177.8	72.1	0	0	111	M501 F516 K661 L662 G667 C668 I672	M501-M665 WeakPolarHBondContact CE-O 3.42Å; F516-M665 HydrophobicContact CD1-CE 4.28Å; F516-M665 HydrophobicContact CD2-CE 3.43Å; F516-M665 VanDerWaalsContact CD2-CE 3.43Å; F516-M665 HydrophobicContact CE1-CB 4.06Å; F516-M665 HydrophobicContact CE1-CE 4.29Å; F516-M665 HydrophobicContact CE2-CB 4.25Å; F516-M665 HydrophobicContact CE2-CE 3.44Å; F516-M665 VanDerWaalsContact CE2-CE 3.44Å; F516-M665 HydrophobicContact CE2-SD 4.03Å; F516-M665 HydrophobicContact CG-CE 3.86Å; F516-M665 HydrophobicContact CZ-CB 3.63Å; F516-M665 HydrophobicContact CZ-CE 3.89Å; F516-M665 HydrophobicContact CZ-SD 4.38Å; K661-M665 HydrophobicContact CD-SD 4.49Å; K661-M665 HydrophobicContact CG-CG 4.44Å; K661-M665 HydrophobicContact CG-SD 3.97Å; K661-M665 WeakPolarHBondContact O-CB 3.42Å; K661-M665 VanDerWaalsContact O-CG 3.23Å; K661-M665 WeakPolarHBondContact O-CG 3.4Å; K661-M665 PolarHBondContact O-N 2.69Å; L662-M665 PolarHBondContact O-N 2.95Å; M665-G667 VanDerWaalsContact C-N 3.26Å; M665-G667 PolarHBondContact O-N 3.01Å; M665-C668 PolarHBondContact O-N 3.5Å; M665-I672 HydrophobicContact CE-CG1 3.86Å; M665-I672 HydrophobicContact CE-CG2 4.13Å
666	L	89.2	Confident	73.6	Confident	3 Å²	3	69 Å²	69	2%	0.016	40%	0.399	C	S	.	.	H	α-helix	trans	-65.6	-31.9	174.3	-69.3	171	0	0	0	111.7	F516 V520 V577 Q581 L662 E663 C668	F516-L666 HydrophobicContact CE1-CD2 4.1Å; F516-L666 HydrophobicContact CZ-CD2 4.2Å; F516-L666 HydrophobicContact CZ-CG 4.35Å; V520-L666 HydrophobicContact CG1-CD2 4.45Å; V577-L666 HydrophobicContact CG1-CB 4.4Å; V577-L666 HydrophobicContact CG1-CD2 4.31Å; Q581-L666 HydrophobicContact CG-CB 3.75Å; Q581-L666 HydrophobicContact CG-CD1 4.34Å; Q581-L666 VanDerWaalsContact NE2-C 3.25Å; Q581-L666 PolarHBondContact NE2-O 2.87Å; L662-L666 HydrophobicContact CD1-CD1 4.06Å; L662-L666 HydrophobicContact CD1-CG 4.17Å; L662-L666 HydrophobicContact CG-CD1 3.99Å; L662-L666 WeakPolarHBondContact O-CB 3.28Å; L662-L666 VanDerWaalsContact O-CG 3.32Å; L662-L666 WeakPolarHBondContact O-CG 3.48Å; L662-L666 PolarHBondContact O-N 2.85Å; E663-L666 PolarHBondContact O-N 3.47Å; L666-C668 VanDerWaalsContact C-N 3.27Å; L666-C668 PolarHBondContact O-N 3.03Å
667	G	81	Confident	70.8	Confident	26 Å²	26	68.1 Å²	68.1	27%	0.268	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	3.5	178	0	0	0	0	0	115.3	E663 E664 M665 K669	E663-G667 PolarHBondContact O-N 3.24Å; E664-G667 CarbonylContact O-C 3.42Å; E664-G667 PolarHBondContact O-N 3.19Å; M665-G667 VanDerWaalsContact C-N 3.26Å; M665-G667 PolarHBondContact O-N 3.01Å; G667-K669 PolarHBondContact O-N 3.29Å; G667-K669 VanDerWaalsContact O-N 3.11Å
668	C	75.6	Confident	67.6	Low	69 Å²	69	66.8 Å²	66.8	47%	0.466	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.7	19.6	-173.9	-50.3	0	0	0	0	114.1	M501 E664 M665 L666	M501-C668 VanDerWaalsContact CG-SG 3.53Å; E664-C668 PolarHBondContact O-N 2.8Å; M665-C668 PolarHBondContact O-N 3.5Å; L666-C668 VanDerWaalsContact C-N 3.27Å; L666-C668 PolarHBondContact O-N 3.03Å
669	K	59.7	Low	64.5	Low	134 Å²	134	75.8 Å²	75.8	58%	0.583	45%	0.446	S	S	*	.			trans	-80.1	-24.5	-178.9	-62.7	176.3	-167.8	155.5	0	111.7	E663 E664 G667	E663-K669 IonicContact OE1-NZ 3.73Å; E663-K669 PolarHBondContact OE1-NZ 2.98Å; E663-K669 VanDerWaalsContact OE1-NZ 3.12Å; E663-K669 IonicContact OE2-NZ 3.5Å; E663-K669 PolarHBondContact OE2-NZ 3.41Å; E664-K669 HydrophobicContact CB-CB 4.26Å; E664-K669 HydrophobicContact CG-CB 4.49Å; E664-K669 HydrophobicContact CG-CD 4.43Å; E664-K669 PolarHBondContact O-N 2.99Å; G667-K669 PolarHBondContact O-N 3.29Å; G667-K669 VanDerWaalsContact O-N 3.11Å
670	T	56.5	Low	61.5	Low	46 Å²	46	87.3 Å²	87.3	28%	0.282	51%	0.506	S	S	.	.	S	Bend	trans	-123.5	135.5	177.6	45.5	0	0	0	0	111.6	E664 I672	E664-T670 HydrophobicContact CB-CG2 4.18Å; E664-T670 WeakPolarHBondContact OE2-CG2 3.49Å; T670-I672 PolarHBondContact O-N 3.43Å
671	P	56.4	Low	59.9	Low	112 Å²	112	88.9 Å²	88.9	73%	0.727	51%	0.514	S	S	*	.			trans	-65.1	131.8	178.7	-18	29.3	0	0	0	111.8	G673	P671-G673 PolarHBondContact O-N 3.26Å
672	I	62.4	Low	58.2	Low	31 Å²	31	86.6 Å²	86.6	16%	0.159	51%	0.511	C	S	.	.	S	Bend	trans	-79.5	70.7	172	-55.9	164	0	0	0	107.8	M501 C513 F516 M665 T670	M501-I672 HydrophobicContact CE-CD1 3.79Å; C513-I672 HydrophobicContact CB-CB 4.47Å; C513-I672 HydrophobicContact CB-CD1 4.09Å; C513-I672 HydrophobicContact CB-CG2 4.48Å; C513-I672 WeakPolarHBondContact SG-CD1 3.47Å; F516-I672 HydrophobicContact CB-CG2 4.16Å; F516-I672 HydrophobicContact CD1-CD1 3.64Å; F516-I672 HydrophobicContact CD1-CG1 4.49Å; F516-I672 HydrophobicContact CE1-CD1 4.08Å; F516-I672 HydrophobicContact CG-CD1 4.35Å; M665-I672 HydrophobicContact CE-CG1 3.86Å; M665-I672 HydrophobicContact CE-CG2 4.13Å; T670-I672 PolarHBondContact O-N 3.43Å
673	G	42.9	Very low	56.2	Low	47 Å²	47	91 Å²	91	49%	0.485	54%	0.537	S	S	.	.			trans	179.3	87.1	-175.6	0	0	0	0	0	116.3	P671	P671-G673 PolarHBondContact O-N 3.26Å
674	K	34.4	Very low	54.1	Low	196 Å²	196	95.1 Å²	95.1	85%	0.852	56%	0.563	S	S	*	*				-154.8	138.7	113.2	-94.8	-177.1	-172.5	177.7	0	107.2	A676	K674-A676 PolarHBondContact O-N 3.27Å
675	P	36.3	Very low	51.8	Low	132 Å²	132	96.9 Å²	96.9	86%	0.857	58%	0.579	S	S	*	*			trans	-65.3	103.2	169.8	27.1	-29.4	0	0	0	107	A677	P675-A677 PolarHBondContact O-N 3.41Å; P675-A677 VanDerWaalsContact O-N 3.09Å
676	A	29.8	Very low	49.3	Very low	86 Å²	86	101.4 Å²	101.4	71%	0.711	61%	0.608	S	S	*	*			trans	-64	111.5	158	0	0	0	0	0	105.3	K674 A678	K674-A676 PolarHBondContact O-N 3.27Å; A676-A678 PolarHBondContact O-N 3.28Å
677	A	32.1	Very low	46.5	Very low	112 Å²	112	108.4 Å²	108.4	93%	0.926	65%	0.65	S	S	*	*			trans	-58.2	85.2	158.6	0	0	0	0	0	107.3	P675	P675-A677 PolarHBondContact O-N 3.41Å; P675-A677 VanDerWaalsContact O-N 3.09Å
678	A	25.6	Very low	43.8	Very low	71 Å²	71	114.8 Å²	114.8	59%	0.587	68%	0.679	S	S	*	*			trans	-123.9	108.7	171.7	0	0	0	0	0	105.9	A676 L680	A676-A678 PolarHBondContact O-N 3.28Å; A678-L680 PolarHBondContact O-N 3.1Å; A678-L680 VanDerWaalsContact O-N 3.14Å
679	K	29.4	Very low	41.2	Very low	214 Å²	214	118.6 Å²	118.6	93%	0.93	70%	0.697	S	S	*	*			trans	-45.7	117.5	160.4	-73.6	173	171	177.9	0	108
680	L	29.1	Very low	39.5	Very low	242 Å²	242	117.2 Å²	117.2	100%	1.267	71%	0.708	S	S	*	*			trans	-118.2	0	151.6	-89.7	164.9	0	0	0	106.5	A678	A678-L680 PolarHBondContact O-N 3.1Å; A678-L680 VanDerWaalsContact O-N 3.14Å

Retrieved 680 of 680 residues in 145.8 ms (Link to these results)

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