A0A087YIQ2_POEFO Loading...

Methylenetetrahydrofolate reductase (NADPH)

Catalyzes the conversion of 5,10-methylenetetrahydrofolate to 5-methyltetrahydrofolate, a cosubstrate for homocysteine remethylation to methionine. Represents a key regulatory connection between the folate and methionine cycles.

AlphaFold DB , UniProt , Accession A0A087YIQ2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 661 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	36.4	Very low	26.5	Very low	235 Å²	235	145 Å²	145	100%	1.158	81%	0.812	S	S	*	*				0	85.5	0	-62.8	174.7	-169.4	0	0	105.6
2	V	25	Very low	26.3	Very low	127 Å²	127	152.8 Å²	152.8	77%	0.77	82%	0.82	S	S	*	*				53.3	106.2	54.4	-170.3	0	0	0	0	108.1
3	N	26.3	Very low	26.1	Very low	119 Å²	119	156.3 Å²	156.3	64%	0.636	83%	0.828	S	S	*	*				-164.1	140.6	55.7	-109.1	-19.7	0	0	0	112.3
4	Q	27.1	Very low	26	Very low	164 Å²	164	151.8 Å²	151.8	77%	0.766	82%	0.816	S	S	*	*				63.1	114.5	106.6	-69	178.7	-14.7	0	0	115.6
5	V	26.9	Very low	25.8	Very low	129 Å²	129	150.5 Å²	150.5	78%	0.782	82%	0.821	S	S	*	*				52.9	113.2	70.3	-172.7	0	0	0	0	114.3
6	Q	25.1	Very low	25.8	Very low	193 Å²	193	156.2 Å²	156.2	90%	0.902	83%	0.827	S	S	*	*			trans	-143.5	111.7	152.2	-119.1	176.8	-3.2	0	0	110.1
7	Q	24.3	Very low	25.8	Very low	157 Å²	157	151.7 Å²	151.7	73%	0.734	83%	0.827	S	S	*	*			trans	-72.7	150.4	156.6	-82.4	173	-53	0	0	109.2
8	V	25.6	Very low	25.7	Very low	142 Å²	142	152.4 Å²	152.4	86%	0.861	83%	0.829	S	S	*	*			trans	-137.3	120.3	147.2	-177.3	0	0	0	0	109.2
9	D	26.4	Very low	25.8	Very low	146 Å²	146	150.4 Å²	150.4	78%	0.781	83%	0.828	S	S	*	*			trans	-65.9	160.4	171.5	-76.6	-47.1	0	0	0	113.4
10	G	24.6	Very low	25.8	Very low	81 Å²	81	149.2 Å²	149.2	84%	0.835	83%	0.83	S	S	*	*			trans	-175.6	69.2	166.5	0	0	0	0	0	113.9
11	S	23.4	Very low	25.8	Very low	102 Å²	102	145.9 Å²	145.9	71%	0.713	83%	0.831	S	S	*	*			trans	-80.2	132.1	172.4	59.4	0	0	0	0	113
12	W	24	Very low	25.2	Very low	239 Å²	239	141.2 Å²	141.2	91%	0.905	82%	0.815	S	S	*	*			trans	50.4	119.6	137.2	-66.9	70.6	0	0	0	120.5
13	Q	23.8	Very low	25.2	Very low	198 Å²	198	140.5 Å²	140.5	93%	0.925	82%	0.816	S	S	*	*			trans	-125.8	120	146.5	-93.6	-176.8	-22.9	0	0	110.8
14	S	24.5	Very low	25.1	Very low	93 Å²	93	141.9 Å²	141.9	65%	0.65	82%	0.823	S	S	*	*			trans	-87.1	137.2	168.2	166.2	0	0	0	0	109.2
15	C	23.5	Very low	25.2	Very low	133 Å²	133	139.2 Å²	139.2	90%	0.899	82%	0.823	S	S	*	*			trans	-121.8	115.4	157.6	-75.9	0	0	0	0	108.7
16	R	26.6	Very low	25.2	Very low	241 Å²	241	138.9 Å²	138.9	91%	0.909	83%	0.826	S	S	*	*			trans	-81.9	149.3	164.2	-77.4	-178.6	171	-175.3	-3.2	109.7
17	G	24.8	Very low	25.3	Very low	80 Å²	80	134.6 Å²	134.6	83%	0.825	82%	0.824	S	S	*	*			trans	-173.6	101.2	164	0	0	0	0	0	111.5
18	D	24.5	Very low	25.4	Very low	164 Å²	164	136.4 Å²	136.4	88%	0.877	83%	0.832	S	S	*	*			trans	-65.9	149.4	175.7	-70.5	-50.4	0	0	0	113.5
19	S	26.8	Very low	25.5	Very low	115 Å²	115	134.6 Å²	134.6	80%	0.804	83%	0.826	S	S	*	*				-174.3	123.2	126.2	58.2	0	0	0	0	113.9
20	S	27.2	Very low	25.4	Very low	125 Å²	125	133.3 Å²	133.3	87%	0.874	83%	0.828	S	S	*	*			trans	-13.5	139.8	159	56.1	0	0	0	0	121.6
21	G	25.2	Very low	25.6	Very low	81 Å²	81	138.5 Å²	138.5	84%	0.835	83%	0.828	S	S	*	*			trans	-178.3	112.3	156.7	0	0	0	0	0	113.8
22	T	24.3	Very low	25.7	Very low	137 Å²	137	142.9 Å²	142.9	84%	0.84	84%	0.837	S	S	*	*			trans	-70	152.6	-176.4	30.4	0	0	0	0	116.6
23	S	24.7	Very low	26	Very low	111 Å²	111	136 Å²	136	78%	0.776	83%	0.825	S	S	*	*			trans	110.1	121.7	138.9	74	0	0	0	0	121.4
24	N	24.8	Very low	26.2	Very low	149 Å²	149	132.2 Å²	132.2	80%	0.797	82%	0.821	S	S	*	*			trans	64.7	100.8	141.5	-72.7	4.4	0	0	0	123.2
25	S	29	Very low	26.5	Very low	107 Å²	107	136.5 Å²	136.5	75%	0.748	82%	0.823	S	S	*	*				46.6	108.1	120	69	0	0	0	0	120.6
26	S	25.3	Very low	26.8	Very low	122 Å²	122	135.3 Å²	135.3	85%	0.853	82%	0.815	S	S	*	*				-164.3	121.6	126.5	47.4	0	0	0	0	108.9
27	A	28.9	Very low	27.1	Very low	104 Å²	104	128.2 Å²	128.2	86%	0.86	80%	0.802	S	S	*	*			trans	-76.3	124	179.9	0	0	0	0	0	110.9
28	E	25.2	Very low	27.6	Very low	195 Å²	195	125.1 Å²	125.1	91%	0.911	77%	0.767	S	S	*	*			trans	-126	107.9	150.5	-81.9	-174.8	158.4	0	0	106.6	S30	E28-S30 PolarHBondContact O-N 2.81Å
29	S	27.2	Very low	28.1	Very low	104 Å²	104	120.8 Å²	120.8	73%	0.727	75%	0.748	S	S	*	*			trans	-78.2	111.4	175.2	73.3	0	0	0	0	109.1	K31	S29-K31 PolarHBondContact O-N 2.66Å
30	S	25.7	Very low	28.9	Very low	119 Å²	119	120.1 Å²	120.1	83%	0.832	74%	0.735	S	S	*	*			trans	-63.4	108.2	160.3	43.1	0	0	0	0	109.5	E28	E28-S30 PolarHBondContact O-N 2.81Å
31	K	27.8	Very low	29.8	Very low	190 Å²	190	115.3 Å²	115.3	83%	0.826	70%	0.699	S	S	*	*			trans	-116.2	68	161.9	-83.9	-170.6	177.8	-179.8	0	109	S29 S33	S29-K31 PolarHBondContact O-N 2.66Å; K31-S33 PolarHBondContact O-N 3Å
32	E	26.1	Very low	31.1	Very low	194 Å²	194	115.9 Å²	115.9	91%	0.907	68%	0.683	S	S	*	*			trans	-88.7	89.9	151.9	-81.4	-177.2	159.5	0	0	107	S34	E32-S34 PolarHBondContact O-N 3.37Å
33	S	29.6	Very low	32.1	Very low	94 Å²	94	112.2 Å²	112.2	66%	0.657	67%	0.667	S	S	*	*			trans	-71.4	116.9	161.8	59.4	0	0	0	0	107.4	K31 R35	K31-S33 PolarHBondContact O-N 3Å; S33-R35 PolarHBondContact O-N 3.47Å
34	S	28.8	Very low	33.7	Very low	118 Å²	118	110 Å²	110	83%	0.825	65%	0.646	S	S	*	*			trans	-53.6	95.1	171.7	56.7	0	0	0	0	111	E32 C36	E32-S34 PolarHBondContact O-N 3.37Å; S34-C36 PolarHBondContact O-N 3.14Å
35	R	29.8	Very low	35.5	Very low	183 Å²	183	105.8 Å²	105.8	69%	0.691	62%	0.619	S	S	*	*			trans	-74.6	111.9	167.5	-70.5	-177.4	177.9	-177.6	-1.2	107.4	S33 S37 E387	S33-R35 PolarHBondContact O-N 3.47Å; R35-S37 PolarHBondContact O-N 2.74Å; R35-S37 PolarHBondContact O-OG 3.13Å; R35-E387 IonicContact NH1-OE2 3.08Å; R35-E387 PolarHBondContact NH1-OE2 3.43Å; R35-E387 VanDerWaalsContact NH1-OE2 3.09Å
36	C	30	Very low	37.3	Very low	109 Å²	109	102.9 Å²	102.9	74%	0.736	60%	0.598	S	S	*	*			trans	-54.4	108.9	165.7	-81.8	0	0	0	0	107.6	S34	S34-C36 PolarHBondContact O-N 3.14Å
37	S	33.4	Very low	40.2	Very low	91 Å²	91	98 Å²	98	64%	0.636	56%	0.563	S	S	*	*			trans	-93	107.2	178	-56.3	0	0	0	0	106.8	R35	R35-S37 PolarHBondContact O-N 2.74Å; R35-S37 PolarHBondContact O-OG 3.13Å
38	T	36.1	Very low	43.3	Very low	15 Å²	15	95.4 Å²	95.4	9%	0.092	53%	0.531	C	S	.	.	P	Polyproline II helix	trans	-55.6	132	171.6	-40.9	0	0	0	0	108	L40 N390 G391	T38-L40 PolarHBondContact O-N 2.99Å; T38-N390 PolarHBondContact OG1-OD1 3.08Å; T38-G391 WeakPolarHBondContact OG1-CA 3.35Å
39	P	35.3	Very low	46.7	Very low	74 Å²	74	86.1 Å²	86.1	48%	0.481	49%	0.487	S	S	.	.	P	Polyproline II helix	trans	-54.8	132.2	175	-23	31.7	0	0	0	110.1	L41	P39-L41 PolarHBondContact O-N 3.13Å; P39-L41 VanDerWaalsContact O-N 3.15Å
40	L	43.4	Very low	49.9	Very low	100 Å²	100	84.4 Å²	84.4	52%	0.524	47%	0.465	S	S	.	.	P	Polyproline II helix	trans	-47.3	122.6	179.7	-77.1	161.5	0	0	0	110.3	T38 D42 V363	T38-L40 PolarHBondContact O-N 2.99Å; L40-D42 PolarHBondContact O-N 3.21Å; L40-V363 HydrophobicContact CD2-CG1 4.29Å
41	L	45.1	Very low	53.3	Low	25 Å²	25	81.9 Å²	81.9	13%	0.131	44%	0.44	C	S	.	.	S	Bend	trans	-57.6	104.5	169.7	-73.1	161.7	0	0	0	108	P39 R45 L351 D365	P39-L41 PolarHBondContact O-N 3.13Å; P39-L41 VanDerWaalsContact O-N 3.15Å; L41-R45 WeakPolarHBondContact O-CD 3.32Å; L41-R45 WeakPolarHBondContact O-CG 3.21Å; L41-L351 HydrophobicContact CD1-CD1 4.12Å; L41-L351 HydrophobicContact CD1-CD2 3.91Å; L41-L351 HydrophobicContact CD1-CG 4.21Å; L41-D365 HydrophobicContact CD1-CB 4.08Å
42	D	51.9	Low	56.5	Low	92 Å²	92	74 Å²	74	49%	0.492	41%	0.406	S	S	.	.			trans	59.5	119.4	-177.7	-94.2	-29.2	0	0	0	116.4	L40 D44 R45	L40-D42 PolarHBondContact O-N 3.21Å; D42-D44 HydrophobicContact CB-CB 4.45Å; D42-D44 PolarHBondContact O-N 3.03Å; D42-D44 VanDerWaalsContact O-N 3.07Å; D42-R45 HydrophobicContact CB-CG 4.17Å; D42-R45 WeakPolarHBondContact O-CB 3.44Å; D42-R45 PolarHBondContact O-N 3.14Å
43	A	47	Very low	59.8	Low	60 Å²	60	64.8 Å²	64.8	50%	0.496	36%	0.363	S	S	.	.	H	α-helix	trans	-55.4	-25.5	168.8	0	0	0	0	0	112.3	R45 S46 D47	A43-R45 PolarHBondContact O-N 3.48Å; A43-S46 PolarHBondContact O-N 2.76Å; A43-S46 PolarHBondContact O-OG 3.03Å; A43-S46 VanDerWaalsContact O-OG 3.05Å; A43-D47 VanDerWaalsContact O-CG 3.23Å
44	D	56.6	Low	62.9	Low	64 Å²	64	66 Å²	66	34%	0.342	35%	0.353	S	S	.	.	H	α-helix	trans	-65.2	-18.1	177.1	-146.4	27.4	0	0	0	112.9	D42 K52	D42-D44 HydrophobicContact CB-CB 4.45Å; D42-D44 PolarHBondContact O-N 3.03Å; D42-D44 VanDerWaalsContact O-N 3.07Å; D44-K52 WeakPolarHBondContact O-CE 3.34Å
45	R	62.9	Low	66	Low	62 Å²	62	64 Å²	64	23%	0.234	33%	0.329	C	S	.	.	H	α-helix	trans	-81.4	-31	-179.4	-67.6	-163.7	174.2	-179.9	-17.9	114.4	L41 D42 A43 V355	L41-R45 WeakPolarHBondContact O-CD 3.32Å; L41-R45 WeakPolarHBondContact O-CG 3.21Å; D42-R45 HydrophobicContact CB-CG 4.17Å; D42-R45 WeakPolarHBondContact O-CB 3.44Å; D42-R45 PolarHBondContact O-N 3.14Å; A43-R45 PolarHBondContact O-N 3.48Å; R45-V355 VanDerWaalsContact NH2-CG2 3.34Å
46	S	66.6	Low	69.1	Low	45 Å²	45	58 Å²	58	32%	0.315	31%	0.307	S	S	.	.	H	α-helix	trans	-79.4	-25.4	-179	46.1	0	0	0	0	112.8	A43 K362	A43-S46 PolarHBondContact O-N 2.76Å; A43-S46 PolarHBondContact O-OG 3.03Å; A43-S46 VanDerWaalsContact O-OG 3.05Å; S46-K362 PolarHBondContact O-NZ 3.38Å
47	D	86.5	Confident	72.2	Confident	21 Å²	21	56.8 Å²	56.8	11%	0.112	29%	0.292	C	S	.	.	S	Bend	trans	-71.8	154.3	-165.5	-69.6	2.3	0	0	0	113.7	A43 E51 K52 K55 K155	A43-D47 VanDerWaalsContact O-CG 3.23Å; D47-E51 WeakPolarHBondContact CA-OE2 3.37Å; D47-E51 HydrophobicContact CB-CB 4.11Å; D47-K52 HydrophobicContact CB-CG 4.01Å; D47-K55 WeakPolarHBondContact OD2-CE 3.18Å; D47-K55 IonicContact OD2-NZ 3.69Å; D47-K55 PolarHBondContact OD2-NZ 2.84Å; D47-K155 PolarHBondContact O-NZ 2.78Å; D47-K155 VanDerWaalsContact O-NZ 3.15Å
48	R	93.9	Very high	75.1	Confident	48 Å²	48	58.7 Å²	58.7	18%	0.181	29%	0.29	C	S	.	.			trans	-75.4	157.3	171.4	-67.5	-179.6	67	171.4	-0.9	110.5	R50 E51 K52 D192 F194 D195	R48-R50 VanDerWaalsContact C-N 3.27Å; R48-R50 HydrophobicContact CB-CG 4.31Å; R48-R50 PolarHBondContact O-N 3.41Å; R48-E51 HydrophobicContact CB-CG 4.33Å; R48-E51 PolarHBondContact N-OE2 2.94Å; R48-E51 WeakPolarHBondContact O-CB 3.48Å; R48-E51 PolarHBondContact O-N 2.97Å; R48-K52 WeakPolarHBondContact O-CG 3.23Å; R48-K52 PolarHBondContact O-N 3.3Å; R48-D192 IonicContact CZ-OD1 3.89Å; R48-D192 IonicContact CZ-OD2 3Å; R48-D192 PolarHBondContact NH1-O 2.68Å; R48-D192 IonicContact NH1-OD1 3.54Å; R48-D192 PolarHBondContact NH1-OD1 3Å; R48-D192 IonicContact NH1-OD2 2.57Å; R48-D192 PolarHBondContact NH1-OD2 3.41Å; R48-D192 PolarHBondContact NH2-O 2.9Å; R48-D192 IonicContact NH2-OD1 3.27Å; R48-D192 PolarHBondContact NH2-OD1 3.26Å; R48-F194 PolarHBondContact NH2-O 3.03Å; R48-D195 WeakPolarHBondContact CB-OD2 3.36Å; R48-D195 IonicContact CZ-OD1 3.84Å; R48-D195 IonicContact NE-OD1 3.39Å; R48-D195 PolarHBondContact NE-OD1 3.16Å; R48-D195 IonicContact NH2-OD1 3.41Å; R48-D195 PolarHBondContact NH2-OD1 3.47Å
49	L	96.3	Very high	77.8	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-58.9	-42.4	-177.1	176.2	58	0	0	0	111.1	E51 K52 M53 L93 F94 E127 V129 N156 D195 F228	L49-E51 VanDerWaalsContact C-N 3.27Å; L49-E51 PolarHBondContact O-N 2.92Å; L49-K52 WeakPolarHBondContact O-CB 3.5Å; L49-K52 PolarHBondContact O-N 3.13Å; L49-M53 HydrophobicContact CD1-CE 3.95Å; L49-M53 HydrophobicContact CD1-CG 4.41Å; L49-M53 HydrophobicContact CD2-CE 4.11Å; L49-M53 HydrophobicContact CG-CE 3.87Å; L49-M53 WeakPolarHBondContact O-CG 3.36Å; L49-M53 PolarHBondContact O-N 3.33Å; L49-L93 HydrophobicContact CD1-CD1 4.48Å; L49-L93 HydrophobicContact CD1-CD2 4.32Å; L49-L93 HydrophobicContact CD1-CG 4.04Å; L49-F94 HydrophobicContact CD1-CB 4.11Å; L49-F94 HydrophobicContact CD1-CD1 3.85Å; L49-F94 HydrophobicContact CD1-CG 4.27Å; L49-F94 HydrophobicContact CD2-CB 4.28Å; L49-F94 HydrophobicContact CD2-CD1 4.18Å; L49-F94 HydrophobicContact CD2-CG 4.14Å; L49-E127 HydrophobicContact CD1-CG 4.17Å; L49-V129 HydrophobicContact CD2-CG2 4.01Å; L49-N156 WeakPolarHBondContact CB-OD1 3.31Å; L49-N156 HydrophobicContact CD2-CB 4.27Å; L49-D195 WeakPolarHBondContact CA-OD2 3.21Å; L49-D195 WeakPolarHBondContact CB-OD2 3.46Å; L49-D195 PolarHBondContact N-OD2 2.8Å; L49-F228 HydrophobicContact CD2-CE1 3.98Å; L49-F228 HydrophobicContact CD2-CZ 3.94Å
50	R	95.6	Very high	80.6	Confident	68 Å²	68	60.6 Å²	60.6	26%	0.257	32%	0.315	S	S	.	.	H	α-helix	trans	-61.4	-32.3	176.1	70.3	-174.8	-172.9	-164.7	-4.5	113.7	R48 R54 D192 D195 D227	R48-R50 VanDerWaalsContact C-N 3.27Å; R48-R50 HydrophobicContact CB-CG 4.31Å; R48-R50 PolarHBondContact O-N 3.41Å; R50-R54 WeakPolarHBondContact O-CB 3.5Å; R50-R54 PolarHBondContact O-N 2.62Å; R50-D192 IonicContact CZ-OD1 2.74Å; R50-D192 IonicContact CZ-OD2 2.99Å; R50-D192 IonicContact NH1-OD1 3.62Å; R50-D192 PolarHBondContact NH1-OD1 3.45Å; R50-D192 IonicContact NH1-OD2 3.79Å; R50-D192 IonicContact NH2-OD1 3Å; R50-D192 PolarHBondContact NH2-OD1 3.31Å; R50-D192 IonicContact NH2-OD2 2.62Å; R50-D192 PolarHBondContact NH2-OD2 3.48Å; R50-D195 WeakPolarHBondContact CD-OD1 3.32Å; R50-D195 PolarHBondContact N-OD2 3.12Å; R50-D195 IonicContact NE-OD1 2.78Å; R50-D227 HydrophobicContact CB-CB 4.2Å; R50-D227 WeakPolarHBondContact CD-OD1 3.49Å; R50-D227 IonicContact CZ-OD1 2.68Å; R50-D227 IonicContact NE-OD1 2.69Å; R50-D227 IonicContact NH1-OD1 3.25Å; R50-D227 PolarHBondContact NH1-OD1 3Å
51	E	95.6	Very high	82.9	Confident	67 Å²	67	60.4 Å²	60.4	31%	0.313	31%	0.314	S	S	.	.	H	α-helix	trans	-74.7	-42.3	177.2	-68.6	166.7	173.3	0	0	111.2	D47 R48 L49 M53 R54 K55	D47-E51 WeakPolarHBondContact CA-OE2 3.37Å; D47-E51 HydrophobicContact CB-CB 4.11Å; R48-E51 HydrophobicContact CB-CG 4.33Å; R48-E51 PolarHBondContact N-OE2 2.94Å; R48-E51 WeakPolarHBondContact O-CB 3.48Å; R48-E51 PolarHBondContact O-N 2.97Å; L49-E51 VanDerWaalsContact C-N 3.27Å; L49-E51 PolarHBondContact O-N 2.92Å; E51-M53 VanDerWaalsContact C-N 3.33Å; E51-M53 PolarHBondContact O-N 2.92Å; E51-R54 PolarHBondContact O-N 3.32Å; E51-K55 WeakPolarHBondContact O-CG 3.27Å; E51-K55 PolarHBondContact O-N 3.38Å
52	K	95	Very high	85.3	Confident	24 Å²	24	63.3 Å²	63.3	10%	0.104	33%	0.327	C	S	.	.	H	α-helix	trans	-58.2	-46.3	172.6	-64.6	174.1	174.7	-176.9	0	111.1	D44 D47 R48 L49 K55 R56 L93 E127	D44-K52 WeakPolarHBondContact O-CE 3.34Å; D47-K52 HydrophobicContact CB-CG 4.01Å; R48-K52 WeakPolarHBondContact O-CG 3.23Å; R48-K52 PolarHBondContact O-N 3.3Å; L49-K52 WeakPolarHBondContact O-CB 3.5Å; L49-K52 PolarHBondContact O-N 3.13Å; K52-K55 PolarHBondContact O-N 2.91Å; K52-R56 WeakPolarHBondContact O-CG 3.41Å; K52-R56 PolarHBondContact O-N 2.73Å; K52-L93 HydrophobicContact CB-CD1 3.92Å; K52-L93 HydrophobicContact CD-CD1 4.27Å; K52-E127 IonicContact NZ-OE2 2.82Å; K52-E127 PolarHBondContact NZ-OE2 3.09Å
53	M	95.8	Very high	87.5	Confident	1 Å²	1	59.1 Å²	59.1	1%	0.005	31%	0.305	C	S	.	.	H	α-helix	trans	-57.6	-50.5	175.2	-72.7	-177.6	177	0	0	111.2	L49 E51 K55 R56 M57 W63 L93 F94 F228 L257	L49-M53 HydrophobicContact CD1-CE 3.95Å; L49-M53 HydrophobicContact CD1-CG 4.41Å; L49-M53 HydrophobicContact CD2-CE 4.11Å; L49-M53 HydrophobicContact CG-CE 3.87Å; L49-M53 WeakPolarHBondContact O-CG 3.36Å; L49-M53 PolarHBondContact O-N 3.33Å; E51-M53 VanDerWaalsContact C-N 3.33Å; E51-M53 PolarHBondContact O-N 2.92Å; M53-K55 PolarHBondContact O-N 3.48Å; M53-R56 PolarHBondContact O-N 3.4Å; M53-M57 WeakPolarHBondContact O-CB 3.44Å; M53-M57 VanDerWaalsContact O-CG 3.23Å; M53-M57 WeakPolarHBondContact O-CG 3.38Å; M53-M57 PolarHBondContact O-N 3.36Å; M53-W63 HydrophobicContact CB-CZ2 4.48Å; M53-W63 HydrophobicContact CE-CH2 3.75Å; M53-W63 HydrophobicContact CE-CZ2 4.37Å; M53-W63 HydrophobicContact CE-CZ3 4.43Å; M53-W63 HydrophobicContact CG-CH2 4.21Å; M53-W63 HydrophobicContact CG-CZ2 3.91Å; M53-W63 HydrophobicContact SD-CH2 4.24Å; M53-W63 HydrophobicContact SD-CZ2 4.33Å; M53-L93 HydrophobicContact CG-CD2 3.74Å; M53-F94 HydrophobicContact CE-CD1 3.89Å; M53-F94 HydrophobicContact CE-CE1 3.38Å; M53-F94 HydrophobicContact CE-CZ 4.16Å; M53-F228 HydrophobicContact CE-CD1 4.1Å; M53-F228 HydrophobicContact CE-CD2 3.96Å; M53-F228 HydrophobicContact CE-CE1 3.88Å; M53-F228 HydrophobicContact CE-CE2 3.73Å; M53-F228 HydrophobicContact CE-CG 4.13Å; M53-F228 HydrophobicContact CE-CZ 3.68Å; M53-F228 HydrophobicContact SD-CB 4.38Å; M53-F228 HydrophobicContact SD-CD1 4Å; M53-F228 HydrophobicContact SD-CD2 4.37Å; M53-F228 HydrophobicContact SD-CE1 4.32Å; M53-F228 HydrophobicContact SD-CG 4.02Å; M53-L257 HydrophobicContact CE-CD1 4.19Å
54	R	95.3	Very high	89.9	Confident	120 Å²	120	56.4 Å²	56.4	45%	0.453	28%	0.282	S	S	.	.	H	α-helix	trans	-58.5	-45.9	178.9	-174.8	-174.3	62.6	78.6	6.9	112.1	R50 E51 R56 M57 E58	R50-R54 WeakPolarHBondContact O-CB 3.5Å; R50-R54 PolarHBondContact O-N 2.62Å; E51-R54 PolarHBondContact O-N 3.32Å; R54-R56 PolarHBondContact O-N 2.63Å; R54-M57 WeakPolarHBondContact O-CB 3.2Å; R54-M57 PolarHBondContact O-N 2.88Å; R54-E58 HydrophobicContact CG-CG 4.46Å; R54-E58 WeakPolarHBondContact CG-OE1 3.48Å; R54-E58 IonicContact CZ-OE1 2.77Å; R54-E58 IonicContact CZ-OE2 2.73Å; R54-E58 IonicContact NH1-OE1 3.83Å; R54-E58 PolarHBondContact NH1-OE1 2.57Å; R54-E58 IonicContact NH1-OE2 3.57Å; R54-E58 PolarHBondContact NH1-OE2 3.49Å; R54-E58 WeakPolarHBondContact O-CB 3.22Å; R54-E58 WeakPolarHBondContact O-CG 3.38Å; R54-E58 PolarHBondContact O-N 3.3Å
55	K	94.8	Very high	91.9	Very high	74 Å²	74	53.3 Å²	53.3	32%	0.322	27%	0.265	S	S	.	.	H	α-helix	trans	-60.7	-42.5	178.4	-75.9	-179.2	175.2	-175.6	0	112.5	D47 E51 K52 M53 E58 S59	D47-K55 WeakPolarHBondContact OD2-CE 3.18Å; D47-K55 IonicContact OD2-NZ 3.69Å; D47-K55 PolarHBondContact OD2-NZ 2.84Å; E51-K55 WeakPolarHBondContact O-CG 3.27Å; E51-K55 PolarHBondContact O-N 3.38Å; K52-K55 PolarHBondContact O-N 2.91Å; M53-K55 PolarHBondContact O-N 3.48Å; K55-E58 PolarHBondContact O-N 3.01Å; K55-S59 PolarHBondContact O-N 3.11Å; K55-S59 PolarHBondContact O-OG 3.35Å
56	R	94.4	Very high	93.7	Very high	58 Å²	58	50.4 Å²	50.4	22%	0.219	25%	0.254	C	S	.	.	H	α-helix	trans	-66.5	-40.4	176	-70.4	-168.8	-175.4	-163.6	3.8	112.1	K52 M53 R54 E58 S59 G60 D61 W63	K52-R56 WeakPolarHBondContact O-CG 3.41Å; K52-R56 PolarHBondContact O-N 2.73Å; M53-R56 PolarHBondContact O-N 3.4Å; R54-R56 PolarHBondContact O-N 2.63Å; R56-E58 PolarHBondContact O-N 2.99Å; R56-S59 WeakPolarHBondContact CA-OG 3.44Å; R56-S59 PolarHBondContact O-N 3.1Å; R56-S59 PolarHBondContact O-OG 2.97Å; R56-G60 PolarHBondContact O-N 3.25Å; R56-D61 HydrophobicContact CB-CB 4.18Å; R56-D61 HydrophobicContact CG-CB 4.28Å; R56-D61 PolarHBondContact O-N 3.19Å; R56-W63 VanDerWaalsContact NH1-CB 3.35Å
57	M	93.8	Very high	95.2	Very high	84 Å²	84	49.9 Å²	49.9	41%	0.414	25%	0.247	S	C	.	.	H	α-helix	trans	-61.7	-41.8	173.9	-70.3	172.6	66.7	0	0	112.6	M53 R54 G60 P255 P320	M53-M57 WeakPolarHBondContact O-CB 3.44Å; M53-M57 VanDerWaalsContact O-CG 3.23Å; M53-M57 WeakPolarHBondContact O-CG 3.38Å; M53-M57 PolarHBondContact O-N 3.36Å; R54-M57 WeakPolarHBondContact O-CB 3.2Å; R54-M57 PolarHBondContact O-N 2.88Å; M57-G60 PolarHBondContact O-N 2.69Å; M57-P255 HydrophobicContact CE-CG 4.38Å; M57-P255 HydrophobicContact SD-CB 4.21Å; M57-P255 HydrophobicContact SD-CG 3.77Å; M57-P320 HydrophobicContact CE-CG 4.35Å; M57-P320 HydrophobicContact CG-CB 3.51Å; M57-P320 HydrophobicContact CG-CG 4.02Å; M57-P320 HydrophobicContact SD-CB 4.29Å; M57-P320 HydrophobicContact SD-CG 4.13Å
58	E	94.4	Very high	95.7	Very high	131 Å²	131	49 Å²	49	61%	0.612	24%	0.242	S	C	*	.	H	α-helix	trans	-70.1	-33.2	179.2	-74.8	170.1	-178	0	0	113.1	R54 K55 R56	R54-E58 HydrophobicContact CG-CG 4.46Å; R54-E58 WeakPolarHBondContact CG-OE1 3.48Å; R54-E58 IonicContact CZ-OE1 2.77Å; R54-E58 IonicContact CZ-OE2 2.73Å; R54-E58 IonicContact NH1-OE1 3.83Å; R54-E58 PolarHBondContact NH1-OE1 2.57Å; R54-E58 IonicContact NH1-OE2 3.57Å; R54-E58 PolarHBondContact NH1-OE2 3.49Å; R54-E58 WeakPolarHBondContact O-CB 3.22Å; R54-E58 WeakPolarHBondContact O-CG 3.38Å; R54-E58 PolarHBondContact O-N 3.3Å; K55-E58 PolarHBondContact O-N 3.01Å; R56-E58 PolarHBondContact O-N 2.99Å
59	S	93.6	Very high	95.7	Very high	71 Å²	71	51 Å²	51	50%	0.497	25%	0.252	S	S	.	.	H	α-helix	trans	-81.7	-16.7	175.9	47.1	0	0	0	0	113.4	K55 R56 D61	K55-S59 PolarHBondContact O-N 3.11Å; K55-S59 PolarHBondContact O-OG 3.35Å; R56-S59 WeakPolarHBondContact CA-OG 3.44Å; R56-S59 PolarHBondContact O-N 3.1Å; R56-S59 PolarHBondContact O-OG 2.97Å; S59-D61 VanDerWaalsContact C-N 3.31Å; S59-D61 PolarHBondContact OG-OD2 3.48Å
60	G	93.2	Very high	95.7	Very high	57 Å²	57	52.4 Å²	52.4	59%	0.588	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.2	10.6	-173.4	0	0	0	0	0	113.6	R56 M57 Q62	R56-G60 PolarHBondContact O-N 3.25Å; M57-G60 PolarHBondContact O-N 2.69Å; G60-Q62 PolarHBondContact O-N 2.9Å
61	D	93.3	Very high	95.5	Very high	97 Å²	97	49.7 Å²	49.7	52%	0.519	25%	0.252	S	S	.	.			trans	-73.4	117.7	178	-72.7	-14.5	0	0	0	110.3	R56 S59	R56-D61 HydrophobicContact CB-CB 4.18Å; R56-D61 HydrophobicContact CG-CB 4.28Å; R56-D61 PolarHBondContact O-N 3.19Å; S59-D61 VanDerWaalsContact C-N 3.31Å; S59-D61 PolarHBondContact OG-OD2 3.48Å
62	Q	95.8	Very high	95.2	Very high	86 Å²	86	58.2 Å²	58.2	40%	0.402	28%	0.282	S	S	.	.			trans	-77.3	148.8	173.5	-65.5	176	-15.4	0	0	110.7	G60 L314 P320 L342	G60-Q62 PolarHBondContact O-N 2.9Å; Q62-L314 HydrophobicContact CB-CD2 4.47Å; Q62-L314 HydrophobicContact CG-CD2 4.2Å; Q62-P320 WeakPolarHBondContact CA-O 3.37Å; Q62-L342 HydrophobicContact CB-CD2 3.76Å
63	W	97.1	Very high	94.9	Very high	3 Å²	3	60.7 Å²	60.7	1%	0.011	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	171.2	-177	52	-94.5	0	0	0	112.9	M53 R56 L93 F94 L257 P320 G321 L322	M53-W63 HydrophobicContact CB-CZ2 4.48Å; M53-W63 HydrophobicContact CE-CH2 3.75Å; M53-W63 HydrophobicContact CE-CZ2 4.37Å; M53-W63 HydrophobicContact CE-CZ3 4.43Å; M53-W63 HydrophobicContact CG-CH2 4.21Å; M53-W63 HydrophobicContact CG-CZ2 3.91Å; M53-W63 HydrophobicContact SD-CH2 4.24Å; M53-W63 HydrophobicContact SD-CZ2 4.33Å; R56-W63 VanDerWaalsContact NH1-CB 3.35Å; W63-L93 HydrophobicContact CB-CB 4.25Å; W63-L93 HydrophobicContact CD2-CB 4.28Å; W63-L93 HydrophobicContact CD2-CD2 3.46Å; W63-L93 VanDerWaalsContact CD2-CD2 3.46Å; W63-L93 HydrophobicContact CE3-CB 4Å; W63-L93 HydrophobicContact CE3-CD2 3.65Å; W63-L93 HydrophobicContact CE3-CG 4.45Å; W63-L93 HydrophobicContact CG-CB 4.41Å; W63-L93 HydrophobicContact CG-CD2 3.88Å; W63-L93 HydrophobicContact CH2-CD2 4.11Å; W63-L93 HydrophobicContact CZ2-CD2 4.04Å; W63-L93 HydrophobicContact CZ3-CD2 3.99Å; W63-F94 HydrophobicContact CH2-CE1 4.13Å; W63-F94 HydrophobicContact CZ3-CD1 4.43Å; W63-F94 AromaticContact CZ3-CE1 3.67Å; W63-F94 HydrophobicContact CZ3-CE1 3.67Å; W63-L257 HydrophobicContact CH2-CD1 3.38Å; W63-L257 HydrophobicContact CH2-CD2 3.18Å; W63-L257 HydrophobicContact CH2-CG 3.88Å; W63-L257 HydrophobicContact CZ2-CD2 3.67Å; W63-L257 HydrophobicContact CZ3-CD1 3.76Å; W63-L257 HydrophobicContact CZ3-CD2 4.01Å; W63-L257 HydrophobicContact CZ3-CG 4.5Å; W63-P320 VanDerWaalsContact CD1-O 3.24Å; W63-P320 PolarHBondContact N-O 2.9Å; W63-P320 PolarHBondContact NE1-O 3.28Å; W63-G321 CarbonylContact O-C 3.6Å; W63-G321 WeakPolarHBondContact O-CA 3.41Å; W63-L322 PolarHBondContact O-N 3.22Å
64	F	98.6	Very high	94.2	Very high	3 Å²	3	62.6 Å²	62.6	1%	0.013	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	161.4	177.8	71.8	-85.4	0	0	0	112.3	L66 G90 P92 L93 L322 F324 L337 L342 W343	F64-L66 HydrophobicContact CD2-CD2 4Å; F64-L66 HydrophobicContact CD2-CG 4.1Å; F64-L66 HydrophobicContact CE2-CD1 4.09Å; F64-L66 HydrophobicContact CE2-CD2 4.05Å; F64-L66 HydrophobicContact CE2-CG 3.97Å; F64-G90 WeakPolarHBondContact CE1-O 3.46Å; F64-G90 WeakPolarHBondContact CZ-O 3.42Å; F64-P92 HydrophobicContact CD2-CB 4.09Å; F64-P92 HydrophobicContact CE2-CB 3.56Å; F64-P92 HydrophobicContact CE2-CG 4.38Å; F64-P92 HydrophobicContact CZ-CB 3.97Å; F64-L93 PolarHBondContact O-N 3.25Å; F64-L322 CarbonylContact C-O 3.33Å; F64-L322 WeakPolarHBondContact CA-O 3.35Å; F64-F324 HydrophobicContact CB-CD2 4.41Å; F64-F324 HydrophobicContact CB-CE2 4.31Å; F64-L337 HydrophobicContact CB-CD2 3.65Å; F64-L337 HydrophobicContact CD1-CD1 4.46Å; F64-L337 HydrophobicContact CD1-CD2 3.79Å; F64-L337 HydrophobicContact CD2-CD1 3.56Å; F64-L337 HydrophobicContact CD2-CD2 3.8Å; F64-L337 HydrophobicContact CD2-CG 4.35Å; F64-L337 HydrophobicContact CE1-CD1 4.38Å; F64-L337 HydrophobicContact CE1-CD2 4.39Å; F64-L337 HydrophobicContact CE2-CD1 3.45Å; F64-L337 VanDerWaalsContact CE2-CD1 3.45Å; F64-L337 HydrophobicContact CE2-CD2 4.39Å; F64-L337 HydrophobicContact CG-CD1 4.07Å; F64-L337 HydrophobicContact CG-CD2 3.46Å; F64-L337 VanDerWaalsContact CG-CD2 3.46Å; F64-L337 HydrophobicContact CG-CG 4.42Å; F64-L337 HydrophobicContact CZ-CD1 3.9Å; F64-L342 HydrophobicContact CD1-CB 4.2Å; F64-L342 WeakPolarHBondContact CE1-O 3.36Å; F64-W343 HydrophobicContact CZ-CE3 4.36Å; F64-W343 HydrophobicContact CZ-CZ3 4.49Å
65	S	98.7	Very high	93.4	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	162.4	171.7	61.5	0	0	0	0	111.4	F94 L322 H323 F324	S65-F94 WeakPolarHBondContact CA-O 3.37Å; S65-F94 VanDerWaalsContact CB-CE1 3.47Å; S65-F94 VanDerWaalsContact CB-CE2 3.41Å; S65-F94 VanDerWaalsContact CB-O 3.23Å; S65-F94 WeakPolarHBondContact CB-O 3.44Å; S65-F94 VanDerWaalsContact OG-CZ 3.25Å; S65-F94 WeakPolarHBondContact OG-CZ 3.45Å; S65-L322 PolarHBondContact N-O 3.4Å; S65-H323 WeakPolarHBondContact OG-CA 3.3Å; S65-H323 WeakPolarHBondContact OG-CB 3.5Å; S65-H323 PolarHBondContact OG-ND1 3.46Å; S65-F324 PolarHBondContact O-N 2.81Å
66	L	98.7	Very high	93	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	123.3	-172.6	-57.8	172.4	0	0	0	111.3	F64 F68 M87 P92 F94 I95 D96 F324 T326 T333 L337	F64-L66 HydrophobicContact CD2-CD2 4Å; F64-L66 HydrophobicContact CD2-CG 4.1Å; F64-L66 HydrophobicContact CE2-CD1 4.09Å; F64-L66 HydrophobicContact CE2-CD2 4.05Å; F64-L66 HydrophobicContact CE2-CG 3.97Å; L66-F68 HydrophobicContact CB-CD2 4.43Å; L66-F68 HydrophobicContact CB-CE2 3.58Å; L66-F68 HydrophobicContact CB-CZ 3.98Å; L66-F68 HydrophobicContact CD1-CE2 4.34Å; L66-F68 HydrophobicContact CD1-CZ 4.2Å; L66-M87 HydrophobicContact CD1-CB 3.89Å; L66-M87 HydrophobicContact CD1-CE 3.8Å; L66-M87 HydrophobicContact CD2-CE 3.95Å; L66-M87 HydrophobicContact CG-CE 4.47Å; L66-P92 HydrophobicContact CD1-CB 4.29Å; L66-P92 HydrophobicContact CD1-CG 4.39Å; L66-P92 HydrophobicContact CG-CB 4.4Å; L66-F94 PolarHBondContact N-O 3.35Å; L66-I95 HydrophobicContact CB-CG2 4.24Å; L66-I95 CarbonylContact O-C 3.19Å; L66-I95 WeakPolarHBondContact O-CA 3.36Å; L66-I95 WeakPolarHBondContact O-CB 3.38Å; L66-D96 PolarHBondContact O-N 3.28Å; L66-F324 HydrophobicContact CD2-CB 4.19Å; L66-T326 HydrophobicContact CB-CG2 4.03Å; L66-T326 HydrophobicContact CD2-CG2 4Å; L66-T333 HydrophobicContact CD2-CG2 3.57Å; L66-L337 HydrophobicContact CD2-CD1 4.29Å
67	E	98.6	Very high	92.6	Very high	35 Å²	35	55.1 Å²	55.1	16%	0.164	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	137.7	173.8	-172.1	-177.3	109.3	0	0	112.3	D96 T98 H131 H323 F324 Y325 T326	E67-D96 WeakPolarHBondContact CA-O 3.41Å; E67-D96 HydrophobicContact CB-CB 4.12Å; E67-D96 HydrophobicContact CG-CB 4Å; E67-T98 HydrophobicContact CG-CG2 3.76Å; E67-T98 WeakPolarHBondContact OE1-CG2 3.48Å; E67-H131 IonicContact OE2-CE1 2.82Å; E67-H131 PolarHBondContact OE2-CE1 2.93Å; E67-H131 IonicContact OE2-NE2 3.5Å; E67-H323 WeakPolarHBondContact CB-NE2 3.29Å; E67-H323 IonicContact OE2-NE2 2.79Å; E67-F324 PolarHBondContact N-O 3.4Å; E67-Y325 HydrophobicContact CB-CD1 4.17Å; E67-Y325 HydrophobicContact CG-CD1 4.46Å; E67-Y325 WeakPolarHBondContact OE1-CD1 3.46Å; E67-Y325 VanDerWaalsContact OE2-CE1 3.32Å; E67-Y325 WeakPolarHBondContact OE2-CE1 3.29Å; E67-T326 WeakPolarHBondContact O-CB 3.42Å; E67-T326 WeakPolarHBondContact O-CG2 3.26Å; E67-T326 PolarHBondContact O-N 3.06Å; E67-T326 PolarHBondContact O-OG1 3.21Å
68	F	97.9	Very high	92.1	Very high	3 Å²	3	53.3 Å²	53.3	1%	0.013	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	159.1	177.3	-59.6	-85.3	0	0	0	111.5	L66 L80 R83 F84 M87 I95 D96 I97 T98 T326 N328	L66-F68 HydrophobicContact CB-CD2 4.43Å; L66-F68 HydrophobicContact CB-CE2 3.58Å; L66-F68 HydrophobicContact CB-CZ 3.98Å; L66-F68 HydrophobicContact CD1-CE2 4.34Å; L66-F68 HydrophobicContact CD1-CZ 4.2Å; F68-L80 HydrophobicContact CB-CD1 4.24Å; F68-L80 HydrophobicContact CD1-CD1 3.65Å; F68-L80 HydrophobicContact CE1-CD1 4.29Å; F68-L80 HydrophobicContact CG-CD1 4.14Å; F68-R83 HydrophobicContact CE1-CG 4.47Å; F68-F84 HydrophobicContact CB-CE1 4.17Å; F68-F84 HydrophobicContact CD1-CE1 4.14Å; F68-F84 HydrophobicContact CD2-CD1 4.22Å; F68-F84 AromaticContact CD2-CE1 3.55Å; F68-F84 HydrophobicContact CD2-CE1 3.55Å; F68-F84 HydrophobicContact CE1-CE1 4.41Å; F68-F84 HydrophobicContact CE2-CD1 4.04Å; F68-F84 AromaticContact CE2-CE1 3.85Å; F68-F84 HydrophobicContact CE2-CE1 3.85Å; F68-F84 AromaticContact CG-CE1 3.69Å; F68-F84 HydrophobicContact CG-CE1 3.69Å; F68-F84 HydrophobicContact CZ-CD1 4.23Å; F68-F84 HydrophobicContact CZ-CE1 4.27Å; F68-M87 HydrophobicContact CE1-SD 3.78Å; F68-M87 HydrophobicContact CZ-CB 4.5Å; F68-M87 HydrophobicContact CZ-CE 4.39Å; F68-M87 HydrophobicContact CZ-SD 3.69Å; F68-I95 HydrophobicContact CD2-CB 4.36Å; F68-I95 HydrophobicContact CD2-CD1 4.44Å; F68-I95 HydrophobicContact CE2-CB 4.21Å; F68-I95 HydrophobicContact CE2-CG2 4.17Å; F68-D96 PolarHBondContact N-O 3.13Å; F68-I97 HydrophobicContact CB-CD1 4.07Å; F68-T98 PolarHBondContact O-N 2.92Å; F68-T98 PolarHBondContact O-OG1 3.4Å; F68-T326 VanDerWaalsContact CD1-OG1 3.27Å; F68-T326 WeakPolarHBondContact CD1-OG1 3.36Å; F68-T326 HydrophobicContact CE1-CG2 4.08Å; F68-T326 WeakPolarHBondContact CE1-OG1 3.25Å; F68-T326 HydrophobicContact CZ-CG2 4.17Å; F68-N328 WeakPolarHBondContact CA-OD1 3.48Å; F68-N328 WeakPolarHBondContact CB-OD1 3.43Å; F68-N328 WeakPolarHBondContact CD1-OD1 3.3Å
69	F	94.4	Very high	91.6	Very high	90 Å²	90	51.9 Å²	51.9	40%	0.395	29%	0.292	S	S	.	.			trans	-114	144.6	173.5	61.1	-97.7	0	0	0	112.2	P71 T98 L327 N328	F69-P71 WeakPolarHBondContact O-CD 3.36Å; F69-T98 VanDerWaalsContact CA-OG1 3.31Å; F69-T98 WeakPolarHBondContact CA-OG1 3.1Å; F69-T98 VanDerWaalsContact CB-OG1 3.32Å; F69-T98 WeakPolarHBondContact CB-OG1 3.44Å; F69-L327 HydrophobicContact CE1-CB 4.34Å; F69-L327 WeakPolarHBondContact CE1-O 3.21Å; F69-N328 HydrophobicContact CD1-CB 4.34Å; F69-N328 WeakPolarHBondContact CD2-ND2 3.15Å; F69-N328 HydrophobicContact CE1-CB 3.76Å; F69-N328 VanDerWaalsContact CE1-CG 3.48Å; F69-N328 HydrophobicContact CE2-CB 4.41Å; F69-N328 WeakPolarHBondContact CE2-ND2 3.37Å; F69-N328 WeakPolarHBondContact CG-ND2 3.36Å; F69-N328 HydrophobicContact CZ-CB 3.78Å; F69-N328 VanDerWaalsContact CZ-ND2 3.34Å; F69-N328 WeakPolarHBondContact CZ-ND2 3.42Å; F69-N328 PolarHBondContact N-OD1 3.42Å; F69-N328 PolarHBondContact O-ND2 2.77Å
70	P	94.3	Very high	91.5	Very high	28 Å²	28	48.7 Å²	48.7	18%	0.182	27%	0.27	C	S	.	.			trans	-60.1	126.8	175.1	25.7	-35.3	0	0	0	110.6	T98 T111 S113	P70-T98 WeakPolarHBondContact CD-O 3.21Å; P70-T98 WeakPolarHBondContact CD-OG1 3.25Å; P70-T111 VanDerWaalsContact CB-O 3.29Å; P70-T111 WeakPolarHBondContact CB-O 3.37Å; P70-S113 WeakPolarHBondContact CG-OG 3.43Å
71	P	92.1	Very high	91.3	Very high	12 Å²	12	47 Å²	47	8%	0.078	25%	0.247	C	C	.	.			trans	-68.3	155	177.7	-22.9	37.6	0	0	0	111.6	F69 G76 L80 T111	F69-P71 WeakPolarHBondContact O-CD 3.36Å; P71-G76 VanDerWaalsContact CB-C 3.44Å; P71-G76 VanDerWaalsContact CG-C 3.48Å; P71-G76 WeakPolarHBondContact CG-O 3.5Å; P71-L80 HydrophobicContact CG-CB 3.89Å; P71-L80 HydrophobicContact CG-CD2 3.73Å; P71-L80 HydrophobicContact CG-CG 4.44Å; P71-T111 WeakPolarHBondContact O-CB 3.45Å; P71-T111 WeakPolarHBondContact O-CG2 3.19Å
72	R	89.8	Confident	90.9	Very high	245 Å²	245	43.4 Å²	43.4	93%	0.925	23%	0.229	S	C	*	.	S	Bend	trans	-86	-7.2	179	-63.9	-173.9	178.3	-172.9	-1.1	114.3
73	T	88.2	Confident	90.8	Very high	76 Å²	76	41.5 Å²	41.5	47%	0.466	22%	0.218	S	C	.	.	S	Bend	trans	-132.7	153.1	-176.4	66.9	0	0	0	0	111.5	S75 G76 A77	T73-S75 VanDerWaalsContact C-N 3.34Å; T73-S75 PolarHBondContact O-N 3.18Å; T73-S75 PolarHBondContact OG1-OG 3.32Å; T73-G76 WeakPolarHBondContact O-CA 3.47Å; T73-G76 PolarHBondContact O-N 2.99Å; T73-G76 PolarHBondContact OG1-N 3Å; T73-G76 VanDerWaalsContact OG1-N 3.1Å; T73-A77 PolarHBondContact O-N 3.35Å
74	A	81.1	Confident	90.6	Very high	42 Å²	42	41.4 Å²	41.4	35%	0.347	22%	0.218	S	C	.	.	H	α-helix	trans	-50.2	-50.8	173	0	0	0	0	0	112.9	G76 A77 V78 E110	A74-G76 VanDerWaalsContact C-N 3.26Å; A74-G76 PolarHBondContact O-N 3.49Å; A74-A77 WeakPolarHBondContact O-CB 3.21Å; A74-A77 PolarHBondContact O-N 3.22Å; A74-A77 VanDerWaalsContact O-N 3.08Å; A74-V78 PolarHBondContact O-N 3.42Å; A74-V78 VanDerWaalsContact O-N 3.08Å; A74-E110 VanDerWaalsContact CA-OE1 3.23Å; A74-E110 WeakPolarHBondContact CA-OE1 3.22Å; A74-E110 WeakPolarHBondContact CB-OE1 3.39Å
75	S	78.4	Confident	90.1	Very high	75 Å²	75	44.5 Å²	44.5	52%	0.524	24%	0.235	S	C	.	.	H	α-helix	trans	-61.7	-36.3	178.1	55.7	0	0	0	0	112	T73 N79	T73-S75 VanDerWaalsContact C-N 3.34Å; T73-S75 PolarHBondContact O-N 3.18Å; T73-S75 PolarHBondContact OG1-OG 3.32Å; S75-N79 WeakPolarHBondContact O-CB 3.43Å; S75-N79 VanDerWaalsContact O-CG 3.22Å; S75-N79 PolarHBondContact O-N 3.23Å; S75-N79 PolarHBondContact O-ND2 2.87Å
76	G	86	Confident	89.7	Confident	17 Å²	17	49.4 Å²	49.4	18%	0.175	25%	0.253	C	S	.	.	H	α-helix	trans	-62.9	-42.3	172.9	0	0	0	0	0	112.3	P71 T73 A74 N79 L80	P71-G76 VanDerWaalsContact CB-C 3.44Å; P71-G76 VanDerWaalsContact CG-C 3.48Å; P71-G76 WeakPolarHBondContact CG-O 3.5Å; T73-G76 WeakPolarHBondContact O-CA 3.47Å; T73-G76 PolarHBondContact O-N 2.99Å; T73-G76 PolarHBondContact OG1-N 3Å; T73-G76 VanDerWaalsContact OG1-N 3.1Å; A74-G76 VanDerWaalsContact C-N 3.26Å; A74-G76 PolarHBondContact O-N 3.49Å; G76-N79 PolarHBondContact O-N 2.81Å; G76-L80 WeakPolarHBondContact O-CB 3.38Å; G76-L80 PolarHBondContact O-N 3.31Å
77	A	87.4	Confident	89.5	Confident	2 Å²	2	49.5 Å²	49.5	2%	0.017	25%	0.254	C	S	.	.	H	α-helix	trans	-61.4	-47.7	176.9	0	0	0	0	0	111.7	T73 A74 N79 L80 I81 I116	T73-A77 PolarHBondContact O-N 3.35Å; A74-A77 WeakPolarHBondContact O-CB 3.21Å; A74-A77 PolarHBondContact O-N 3.22Å; A74-A77 VanDerWaalsContact O-N 3.08Å; A77-N79 VanDerWaalsContact C-N 3.33Å; A77-N79 PolarHBondContact O-N 3.26Å; A77-L80 PolarHBondContact O-N 3.32Å; A77-L80 VanDerWaalsContact O-N 3.15Å; A77-I81 VanDerWaalsContact O-CG1 3.31Å; A77-I81 WeakPolarHBondContact O-CG1 3.35Å; A77-I81 PolarHBondContact O-N 3.37Å; A77-I116 HydrophobicContact CB-CD1 4Å
78	V	82.3	Confident	89.2	Confident	47 Å²	47	48.8 Å²	48.8	29%	0.285	26%	0.256	S	S	.	.	H	α-helix	trans	-59.5	-42.9	176.1	176.2	0	0	0	0	111.9	A74 L80 I81 S82 F410	A74-V78 PolarHBondContact O-N 3.42Å; A74-V78 VanDerWaalsContact O-N 3.08Å; V78-L80 VanDerWaalsContact C-N 3.33Å; V78-L80 PolarHBondContact O-N 3.26Å; V78-I81 PolarHBondContact O-N 2.94Å; V78-S82 PolarHBondContact O-N 3.46Å; V78-S82 VanDerWaalsContact O-N 3.07Å; V78-S82 PolarHBondContact O-OG 2.61Å; V78-F410 HydrophobicContact CG2-CZ 4.11Å
79	N	84.5	Confident	88.9	Confident	101 Å²	101	51 Å²	51	54%	0.54	27%	0.271	S	S	.	.	H	α-helix	trans	-64.6	-37.5	176.9	-74.8	-26.3	0	0	0	112.4	S75 G76 A77 R83	S75-N79 WeakPolarHBondContact O-CB 3.43Å; S75-N79 VanDerWaalsContact O-CG 3.22Å; S75-N79 PolarHBondContact O-N 3.23Å; S75-N79 PolarHBondContact O-ND2 2.87Å; G76-N79 PolarHBondContact O-N 2.81Å; A77-N79 VanDerWaalsContact C-N 3.33Å; A77-N79 PolarHBondContact O-N 3.26Å; N79-R83 PolarHBondContact O-N 2.93Å; N79-R83 VanDerWaalsContact O-N 3.11Å
80	L	91	Very high	88.8	Confident	4 Å²	4	46.7 Å²	46.7	2%	0.021	25%	0.253	C	S	.	.	H	α-helix	trans	-68.6	-42.8	177	-178.7	61.2	0	0	0	111.6	F68 P71 G76 A77 V78 S82 R83 F84 I116 N328	F68-L80 HydrophobicContact CB-CD1 4.24Å; F68-L80 HydrophobicContact CD1-CD1 3.65Å; F68-L80 HydrophobicContact CE1-CD1 4.29Å; F68-L80 HydrophobicContact CG-CD1 4.14Å; P71-L80 HydrophobicContact CG-CB 3.89Å; P71-L80 HydrophobicContact CG-CD2 3.73Å; P71-L80 HydrophobicContact CG-CG 4.44Å; G76-L80 WeakPolarHBondContact O-CB 3.38Å; G76-L80 PolarHBondContact O-N 3.31Å; A77-L80 PolarHBondContact O-N 3.32Å; A77-L80 VanDerWaalsContact O-N 3.15Å; V78-L80 VanDerWaalsContact C-N 3.33Å; V78-L80 PolarHBondContact O-N 3.26Å; L80-S82 VanDerWaalsContact C-N 3.32Å; L80-S82 PolarHBondContact O-N 3.3Å; L80-R83 CarbonylContact O-C 3.56Å; L80-R83 WeakPolarHBondContact O-CA 3.46Å; L80-R83 VanDerWaalsContact O-CB 3.25Å; L80-R83 WeakPolarHBondContact O-CB 3.43Å; L80-R83 PolarHBondContact O-N 3.4Å; L80-F84 HydrophobicContact CD1-CD1 4.35Å; L80-F84 HydrophobicContact CD1-CE1 3.75Å; L80-F84 HydrophobicContact CD1-CZ 4.13Å; L80-F84 HydrophobicContact CD2-CE1 4.32Å; L80-F84 HydrophobicContact CD2-CZ 3.87Å; L80-F84 HydrophobicContact CG-CD1 4.5Å; L80-F84 HydrophobicContact CG-CE1 3.82Å; L80-F84 HydrophobicContact CG-CE2 4.28Å; L80-F84 HydrophobicContact CG-CZ 3.69Å; L80-F84 PolarHBondContact O-N 2.98Å; L80-I116 HydrophobicContact CD2-CG2 3.89Å; L80-N328 HydrophobicContact CD1-CB 4.47Å
81	I	88.9	Confident	88.8	Confident	21 Å²	21	47 Å²	47	11%	0.108	26%	0.261	C	S	.	.	H	α-helix	trans	-60.4	-44.9	176.4	-64	162.1	0	0	0	110.4	A77 V78 R83 F84 D85 T119	A77-I81 VanDerWaalsContact O-CG1 3.31Å; A77-I81 WeakPolarHBondContact O-CG1 3.35Å; A77-I81 PolarHBondContact O-N 3.37Å; V78-I81 PolarHBondContact O-N 2.94Å; I81-R83 PolarHBondContact O-N 3.4Å; I81-F84 WeakPolarHBondContact O-CB 3.48Å; I81-F84 PolarHBondContact O-N 3.45Å; I81-D85 PolarHBondContact O-N 3.39Å; I81-D85 VanDerWaalsContact O-N 3.15Å; I81-T119 HydrophobicContact CD1-CG2 3.72Å; I81-T119 HydrophobicContact CG1-CG2 3.71Å; I81-T119 HydrophobicContact CG2-CG2 4.18Å
82	S	85.7	Confident	89	Confident	22 Å²	22	47.2 Å²	47.2	15%	0.154	26%	0.263	C	S	.	.	H	α-helix	trans	-61.4	-28.7	175.2	-54.4	0	0	0	0	112.2	V78 L80 R86	V78-S82 PolarHBondContact O-N 3.46Å; V78-S82 VanDerWaalsContact O-N 3.07Å; V78-S82 PolarHBondContact O-OG 2.61Å; L80-S82 VanDerWaalsContact C-N 3.32Å; L80-S82 PolarHBondContact O-N 3.3Å; S82-R86 PolarHBondContact O-N 3.28Å; S82-R86 PolarHBondContact O-NH1 3.23Å; S82-R86 VanDerWaalsContact O-NH1 3.09Å
83	R	93.2	Very high	89.4	Confident	45 Å²	45	36 Å²	36	17%	0.17	22%	0.22	C	C	.	.	H	α-helix	trans	-74.9	-34.6	173.6	-170.1	-178.5	-55.2	-70.2	3.4	111.7	F68 N79 L80 I81 D85 R86 M87 N328 E330	F68-R83 HydrophobicContact CE1-CG 4.47Å; N79-R83 PolarHBondContact O-N 2.93Å; N79-R83 VanDerWaalsContact O-N 3.11Å; L80-R83 CarbonylContact O-C 3.56Å; L80-R83 WeakPolarHBondContact O-CA 3.46Å; L80-R83 VanDerWaalsContact O-CB 3.25Å; L80-R83 WeakPolarHBondContact O-CB 3.43Å; L80-R83 PolarHBondContact O-N 3.4Å; I81-R83 PolarHBondContact O-N 3.4Å; R83-D85 VanDerWaalsContact C-N 3.32Å; R83-D85 PolarHBondContact O-N 3.05Å; R83-R86 PolarHBondContact O-N 3.43Å; R83-M87 HydrophobicContact CG-CG 3.91Å; R83-M87 HydrophobicContact CG-SD 3.68Å; R83-M87 VanDerWaalsContact O-CB 3.3Å; R83-M87 WeakPolarHBondContact O-CB 3.5Å; R83-M87 WeakPolarHBondContact O-CG 3.36Å; R83-M87 PolarHBondContact O-N 3.19Å; R83-N328 PolarHBondContact NE-O 3.13Å; R83-N328 PolarHBondContact NH2-O 2.86Å; R83-E330 HydrophobicContact CG-CB 4.34Å; R83-E330 VanDerWaalsContact NH1-CB 3.33Å; R83-E330 IonicContact NH1-OE1 2.61Å; R83-E330 PolarHBondContact NH1-OE1 3.5Å; R83-E330 IonicContact NH1-OE2 2.7Å; R83-E330 PolarHBondContact NH1-OE2 2.78Å
84	F	93.4	Very high	89.8	Confident	1 Å²	1	32.4 Å²	32.4	0%	0.004	20%	0.199	C	C	.	.	H	α-helix	trans	-58.7	-44.6	171.2	-65.5	-22.5	0	0	0	111.4	F68 L80 I81 R86 M87 G88 I95 I97 I116 A120 C124 L126	F68-F84 HydrophobicContact CB-CE1 4.17Å; F68-F84 HydrophobicContact CD1-CE1 4.14Å; F68-F84 HydrophobicContact CD2-CD1 4.22Å; F68-F84 AromaticContact CD2-CE1 3.55Å; F68-F84 HydrophobicContact CD2-CE1 3.55Å; F68-F84 HydrophobicContact CE1-CE1 4.41Å; F68-F84 HydrophobicContact CE2-CD1 4.04Å; F68-F84 AromaticContact CE2-CE1 3.85Å; F68-F84 HydrophobicContact CE2-CE1 3.85Å; F68-F84 AromaticContact CG-CE1 3.69Å; F68-F84 HydrophobicContact CG-CE1 3.69Å; F68-F84 HydrophobicContact CZ-CD1 4.23Å; F68-F84 HydrophobicContact CZ-CE1 4.27Å; L80-F84 HydrophobicContact CD1-CD1 4.35Å; L80-F84 HydrophobicContact CD1-CE1 3.75Å; L80-F84 HydrophobicContact CD1-CZ 4.13Å; L80-F84 HydrophobicContact CD2-CE1 4.32Å; L80-F84 HydrophobicContact CD2-CZ 3.87Å; L80-F84 HydrophobicContact CG-CD1 4.5Å; L80-F84 HydrophobicContact CG-CE1 3.82Å; L80-F84 HydrophobicContact CG-CE2 4.28Å; L80-F84 HydrophobicContact CG-CZ 3.69Å; L80-F84 PolarHBondContact O-N 2.98Å; I81-F84 WeakPolarHBondContact O-CB 3.48Å; I81-F84 PolarHBondContact O-N 3.45Å; F84-R86 PolarHBondContact O-N 2.84Å; F84-M87 PolarHBondContact O-N 3.2Å; F84-G88 WeakPolarHBondContact O-CA 3.46Å; F84-G88 PolarHBondContact O-N 3.11Å; F84-I95 HydrophobicContact CD1-CD1 4.02Å; F84-I95 HydrophobicContact CE1-CD1 3.86Å; F84-I95 HydrophobicContact CE2-CD1 4.44Å; F84-I95 HydrophobicContact CG-CD1 4.41Å; F84-I95 HydrophobicContact CZ-CD1 4.08Å; F84-I97 HydrophobicContact CE1-CD1 4.22Å; F84-I97 HydrophobicContact CZ-CD1 3.61Å; F84-I116 HydrophobicContact CE2-CG2 3.84Å; F84-I116 HydrophobicContact CZ-CG2 3.72Å; F84-A120 HydrophobicContact CD2-CB 4.07Å; F84-A120 HydrophobicContact CE2-CB 3.96Å; F84-C124 HydrophobicContact CB-CB 4.24Å; F84-L126 HydrophobicContact CB-CD1 3.83Å; F84-L126 HydrophobicContact CG-CD1 4.32Å
85	D	86.8	Confident	90.7	Very high	68 Å²	68	30.5 Å²	30.5	36%	0.364	18%	0.183	S	C	.	.	H	α-helix	trans	-59.6	-45.8	177.5	-64.4	-33.2	0	0	0	111.2	I81 R83 K376	I81-D85 PolarHBondContact O-N 3.39Å; I81-D85 VanDerWaalsContact O-N 3.15Å; R83-D85 VanDerWaalsContact C-N 3.32Å; R83-D85 PolarHBondContact O-N 3.05Å; D85-K376 IonicContact OD2-NZ 3.01Å
86	R	90.6	Very high	91.5	Very high	104 Å²	104	27 Å²	27	39%	0.392	16%	0.158	S	C	.	.	H	α-helix	trans	-72.6	-37.3	179.3	-67.5	-169.5	-54.6	-84.8	1.3	114.3	S82 R83 F84 S89 E330	S82-R86 PolarHBondContact O-N 3.28Å; S82-R86 PolarHBondContact O-NH1 3.23Å; S82-R86 VanDerWaalsContact O-NH1 3.09Å; R83-R86 PolarHBondContact O-N 3.43Å; F84-R86 PolarHBondContact O-N 2.84Å; R86-S89 PolarHBondContact O-OG 3.07Å; R86-E330 IonicContact CZ-OE1 2.65Å; R86-E330 IonicContact CZ-OE2 2.71Å; R86-E330 VanDerWaalsContact CZ-OE2 3.26Å; R86-E330 IonicContact NE-OE1 3.18Å; R86-E330 IonicContact NE-OE2 2.75Å; R86-E330 PolarHBondContact NE-OE2 2.64Å; R86-E330 IonicContact NH2-OE1 2.95Å; R86-E330 PolarHBondContact NH2-OE1 3.42Å; R86-E330 IonicContact NH2-OE2 3.89Å; R86-E330 PolarHBondContact NH2-OE2 3.06Å
87	M	95.4	Very high	92.1	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.005	15%	0.149	C	C	.	.	H	α-helix	trans	-82.4	-26.7	-178.4	-68.4	-169.9	78.4	0	0	112.3	L66 F68 R83 F84 S89 G90 T326 E330 T333 M334 W343	L66-M87 HydrophobicContact CD1-CB 3.89Å; L66-M87 HydrophobicContact CD1-CE 3.8Å; L66-M87 HydrophobicContact CD2-CE 3.95Å; L66-M87 HydrophobicContact CG-CE 4.47Å; F68-M87 HydrophobicContact CE1-SD 3.78Å; F68-M87 HydrophobicContact CZ-CB 4.5Å; F68-M87 HydrophobicContact CZ-CE 4.39Å; F68-M87 HydrophobicContact CZ-SD 3.69Å; R83-M87 HydrophobicContact CG-CG 3.91Å; R83-M87 HydrophobicContact CG-SD 3.68Å; R83-M87 VanDerWaalsContact O-CB 3.3Å; R83-M87 WeakPolarHBondContact O-CB 3.5Å; R83-M87 WeakPolarHBondContact O-CG 3.36Å; R83-M87 PolarHBondContact O-N 3.19Å; F84-M87 PolarHBondContact O-N 3.2Å; M87-S89 VanDerWaalsContact C-N 3.32Å; M87-S89 PolarHBondContact O-N 2.95Å; M87-G90 PolarHBondContact O-N 3.21Å; M87-T326 HydrophobicContact CE-CG2 4.15Å; M87-E330 HydrophobicContact CE-CB 4.29Å; M87-E330 HydrophobicContact CG-CB 3.94Å; M87-E330 HydrophobicContact SD-CB 3.61Å; M87-T333 HydrophobicContact CE-CG2 4.19Å; M87-M334 HydrophobicContact CE-CG 4.33Å; M87-W343 WeakPolarHBondContact O-CH2 3.34Å
88	G	92.7	Very high	92.6	Very high	20 Å²	20	27.5 Å²	27.5	21%	0.206	16%	0.157	C	C	.	.	H	α-helix	trans	-67.3	-28.1	175.1	0	0	0	0	0	113.8	F84 G90 G91 P92	F84-G88 WeakPolarHBondContact O-CA 3.46Å; F84-G88 PolarHBondContact O-N 3.11Å; G88-G90 PolarHBondContact O-N 3.46Å; G88-G91 PolarHBondContact O-N 3.05Å; G88-G91 VanDerWaalsContact O-N 3.12Å; G88-P92 WeakPolarHBondContact O-CD 3.48Å
89	S	90.3	Very high	93.2	Very high	49 Å²	49	25.9 Å²	25.9	34%	0.343	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-24.2	176.3	67.3	0	0	0	0	113.3	R86 M87 G91 P347	R86-S89 PolarHBondContact O-OG 3.07Å; M87-S89 VanDerWaalsContact C-N 3.32Å; M87-S89 PolarHBondContact O-N 2.95Å; S89-G91 PolarHBondContact O-N 3Å; S89-P347 WeakPolarHBondContact O-CG 3.48Å
90	G	93.4	Very high	93.4	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-9.2	175.9	0	0	0	0	0	114.9	F64 M87 G88 V344	F64-G90 WeakPolarHBondContact CE1-O 3.46Å; F64-G90 WeakPolarHBondContact CZ-O 3.42Å; M87-G90 PolarHBondContact O-N 3.21Å; G88-G90 PolarHBondContact O-N 3.46Å; G90-V344 PolarHBondContact O-N 2.86Å; G90-V344 VanDerWaalsContact O-N 3.16Å
91	G	93.6	Very high	93.2	Very high	34 Å²	34	28.5 Å²	28.5	35%	0.351	16%	0.159	S	C	.	.			trans	77.9	44.9	178.4	0	0	0	0	0	115.9	G88 S89	G88-G91 PolarHBondContact O-N 3.05Å; G88-G91 VanDerWaalsContact O-N 3.12Å; S89-G91 PolarHBondContact O-N 3Å
92	P	96.9	Very high	93	Very high	18 Å²	18	31.9 Å²	31.9	12%	0.117	19%	0.19	C	C	.	.			trans	-59.2	145.2	172.5	27.7	-33.5	0	0	0	110.6	F64 L66 G88 F94 I95 L126	F64-P92 HydrophobicContact CD2-CB 4.09Å; F64-P92 HydrophobicContact CE2-CB 3.56Å; F64-P92 HydrophobicContact CE2-CG 4.38Å; F64-P92 HydrophobicContact CZ-CB 3.97Å; L66-P92 HydrophobicContact CD1-CB 4.29Å; L66-P92 HydrophobicContact CD1-CG 4.39Å; L66-P92 HydrophobicContact CG-CB 4.4Å; G88-P92 WeakPolarHBondContact O-CD 3.48Å; P92-F94 VanDerWaalsContact C-N 3.34Å; P92-I95 HydrophobicContact CG-CG2 4.32Å; P92-L126 HydrophobicContact CG-CD2 4.39Å
93	L	96.9	Very high	92.9	Very high	8 Å²	8	32.9 Å²	32.9	4%	0.042	20%	0.204	C	C	.	.	S	Bend	trans	-68.4	-38.2	172.9	178.3	60.9	0	0	0	111.1	L49 K52 M53 W63 F64	L49-L93 HydrophobicContact CD1-CD1 4.48Å; L49-L93 HydrophobicContact CD1-CD2 4.32Å; L49-L93 HydrophobicContact CD1-CG 4.04Å; K52-L93 HydrophobicContact CB-CD1 3.92Å; K52-L93 HydrophobicContact CD-CD1 4.27Å; M53-L93 HydrophobicContact CG-CD2 3.74Å; W63-L93 HydrophobicContact CB-CB 4.25Å; W63-L93 HydrophobicContact CD2-CB 4.28Å; W63-L93 HydrophobicContact CD2-CD2 3.46Å; W63-L93 VanDerWaalsContact CD2-CD2 3.46Å; W63-L93 HydrophobicContact CE3-CB 4Å; W63-L93 HydrophobicContact CE3-CD2 3.65Å; W63-L93 HydrophobicContact CE3-CG 4.45Å; W63-L93 HydrophobicContact CG-CB 4.41Å; W63-L93 HydrophobicContact CG-CD2 3.88Å; W63-L93 HydrophobicContact CH2-CD2 4.11Å; W63-L93 HydrophobicContact CZ2-CD2 4.04Å; W63-L93 HydrophobicContact CZ3-CD2 3.99Å; F64-L93 PolarHBondContact O-N 3.25Å
94	F	98.2	Very high	92.8	Very high	2 Å²	2	33.9 Å²	33.9	1%	0.009	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	165.6	174	67	-89.1	0	0	0	111.1	L49 M53 W63 S65 L66 P92 D96 E127 V129 F228 I230 L257	L49-F94 HydrophobicContact CD1-CB 4.11Å; L49-F94 HydrophobicContact CD1-CD1 3.85Å; L49-F94 HydrophobicContact CD1-CG 4.27Å; L49-F94 HydrophobicContact CD2-CB 4.28Å; L49-F94 HydrophobicContact CD2-CD1 4.18Å; L49-F94 HydrophobicContact CD2-CG 4.14Å; M53-F94 HydrophobicContact CE-CD1 3.89Å; M53-F94 HydrophobicContact CE-CE1 3.38Å; M53-F94 HydrophobicContact CE-CZ 4.16Å; W63-F94 HydrophobicContact CH2-CE1 4.13Å; W63-F94 HydrophobicContact CZ3-CD1 4.43Å; W63-F94 AromaticContact CZ3-CE1 3.67Å; W63-F94 HydrophobicContact CZ3-CE1 3.67Å; S65-F94 WeakPolarHBondContact CA-O 3.37Å; S65-F94 VanDerWaalsContact CB-CE1 3.47Å; S65-F94 VanDerWaalsContact CB-CE2 3.41Å; S65-F94 VanDerWaalsContact CB-O 3.23Å; S65-F94 WeakPolarHBondContact CB-O 3.44Å; S65-F94 VanDerWaalsContact OG-CZ 3.25Å; S65-F94 WeakPolarHBondContact OG-CZ 3.45Å; L66-F94 PolarHBondContact N-O 3.35Å; P92-F94 VanDerWaalsContact C-N 3.34Å; F94-D96 WeakPolarHBondContact CD2-OD1 3.46Å; F94-D96 WeakPolarHBondContact CE2-OD1 3.45Å; F94-E127 CarbonylContact C-O 3.54Å; F94-E127 WeakPolarHBondContact CA-O 3.47Å; F94-E127 HydrophobicContact CB-CB 4.23Å; F94-E127 HydrophobicContact CB-CG 4.03Å; F94-E127 WeakPolarHBondContact CB-O 3.37Å; F94-V129 HydrophobicContact CD2-CG2 3.65Å; F94-V129 HydrophobicContact CE2-CG2 4.02Å; F94-V129 HydrophobicContact CG-CG2 4.35Å; F94-F228 HydrophobicContact CZ-CE2 4.13Å; F94-F228 HydrophobicContact CZ-CZ 4.44Å; F94-I230 HydrophobicContact CE2-CD1 4.3Å; F94-I230 HydrophobicContact CZ-CD1 4.31Å; F94-L257 HydrophobicContact CE1-CD1 4.05Å; F94-L257 HydrophobicContact CZ-CD1 3.86Å
95	I	98.6	Very high	92.8	Very high	2 Å²	2	34 Å²	34	1%	0.01	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	157.8	168.4	72.2	164.5	0	0	0	111	L66 F68 F84 P92 I97 A120 L126 E127 S128 V129	L66-I95 HydrophobicContact CB-CG2 4.24Å; L66-I95 CarbonylContact O-C 3.19Å; L66-I95 WeakPolarHBondContact O-CA 3.36Å; L66-I95 WeakPolarHBondContact O-CB 3.38Å; F68-I95 HydrophobicContact CD2-CB 4.36Å; F68-I95 HydrophobicContact CD2-CD1 4.44Å; F68-I95 HydrophobicContact CE2-CB 4.21Å; F68-I95 HydrophobicContact CE2-CG2 4.17Å; F84-I95 HydrophobicContact CD1-CD1 4.02Å; F84-I95 HydrophobicContact CE1-CD1 3.86Å; F84-I95 HydrophobicContact CE2-CD1 4.44Å; F84-I95 HydrophobicContact CG-CD1 4.41Å; F84-I95 HydrophobicContact CZ-CD1 4.08Å; P92-I95 HydrophobicContact CG-CG2 4.32Å; I95-I97 HydrophobicContact CD1-CD1 4.19Å; I95-A120 HydrophobicContact CD1-CB 3.62Å; I95-A120 HydrophobicContact CG1-CB 4.49Å; I95-L126 HydrophobicContact CD1-CB 4.3Å; I95-L126 HydrophobicContact CD1-CD1 3.91Å; I95-L126 HydrophobicContact CG1-CB 4.33Å; I95-L126 HydrophobicContact CG2-CD1 4.18Å; I95-E127 PolarHBondContact N-O 2.96Å; I95-S128 CarbonylContact O-C 3.39Å; I95-S128 VanDerWaalsContact O-CA 3.27Å; I95-S128 WeakPolarHBondContact O-CA 3.35Å; I95-V129 PolarHBondContact O-N 2.92Å
96	D	96.7	Very high	93.2	Very high	0 Å²	0	31 Å²	31	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	138	-178.7	-72.8	6.9	0	0	0	111.3	L66 E67 F68 F94 V129 H131 I230 H323	L66-D96 PolarHBondContact O-N 3.28Å; E67-D96 WeakPolarHBondContact CA-O 3.41Å; E67-D96 HydrophobicContact CB-CB 4.12Å; E67-D96 HydrophobicContact CG-CB 4Å; F68-D96 PolarHBondContact N-O 3.13Å; F94-D96 WeakPolarHBondContact CD2-OD1 3.46Å; F94-D96 WeakPolarHBondContact CE2-OD1 3.45Å; D96-V129 WeakPolarHBondContact CA-O 3.49Å; D96-V129 WeakPolarHBondContact OD1-CB 3.34Å; D96-V129 WeakPolarHBondContact OD1-CG2 3.41Å; D96-H131 IonicContact OD2-NE2 3.46Å; D96-I230 WeakPolarHBondContact OD2-CD1 3.5Å; D96-H323 IonicContact OD2-CE1 3.71Å; D96-H323 PolarHBondContact OD2-CE1 2.91Å; D96-H323 IonicContact OD2-ND1 2.92Å
97	I	98.4	Very high	93.3	Very high	0 Å²	0	27 Å²	27	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	116.5	176.5	-51.8	-57.1	0	0	0	109.4	F68 F84 I95 I116 A117 V129 H131	F68-I97 HydrophobicContact CB-CD1 4.07Å; F84-I97 HydrophobicContact CE1-CD1 4.22Å; F84-I97 HydrophobicContact CZ-CD1 3.61Å; I95-I97 HydrophobicContact CD1-CD1 4.19Å; I97-I116 HydrophobicContact CD1-CG2 3.8Å; I97-I116 HydrophobicContact CG1-CG2 4.22Å; I97-I116 HydrophobicContact CG2-CB 4.27Å; I97-I116 HydrophobicContact CG2-CG2 4.02Å; I97-A117 HydrophobicContact CB-CB 4.15Å; I97-A117 HydrophobicContact CG1-CB 3.84Å; I97-V129 PolarHBondContact N-O 3.23Å; I97-H131 WeakPolarHBondContact O-CB 3.47Å; I97-H131 PolarHBondContact O-CD2 3.04Å; I97-H131 PolarHBondContact O-N 3.49Å
98	T	97	Very high	93.1	Very high	30 Å²	30	31.9 Å²	31.9	18%	0.184	21%	0.213	C	C	.	.			trans	-68	159.2	-178.3	62	0	0	0	0	113.2	E67 F68 F69 P70 S113	E67-T98 HydrophobicContact CG-CG2 3.76Å; E67-T98 WeakPolarHBondContact OE1-CG2 3.48Å; F68-T98 PolarHBondContact O-N 2.92Å; F68-T98 PolarHBondContact O-OG1 3.4Å; F69-T98 VanDerWaalsContact CA-OG1 3.31Å; F69-T98 WeakPolarHBondContact CA-OG1 3.1Å; F69-T98 VanDerWaalsContact CB-OG1 3.32Å; F69-T98 WeakPolarHBondContact CB-OG1 3.44Å; P70-T98 WeakPolarHBondContact CD-O 3.21Å; P70-T98 WeakPolarHBondContact CD-OG1 3.25Å; T98-S113 WeakPolarHBondContact O-CB 3.26Å; T98-S113 PolarHBondContact O-OG 3.48Å
99	W	95.1	Very high	92.9	Very high	14 Å²	14	36.3 Å²	36.3	5%	0.053	23%	0.226	C	C	.	.			trans	-130.7	124.5	-175.7	-179.6	-77.2	0	0	0	110.5	P105 M114 L130 H131 L132 T133 Y145	W99-P105 HydrophobicContact CD2-CB 3.61Å; W99-P105 HydrophobicContact CD2-CG 3.56Å; W99-P105 HydrophobicContact CE3-CB 3.65Å; W99-P105 HydrophobicContact CE3-CG 4.04Å; W99-P105 HydrophobicContact CG-CB 4.18Å; W99-P105 HydrophobicContact CG-CG 4.07Å; W99-P105 HydrophobicContact CH2-CB 4.07Å; W99-P105 HydrophobicContact CH2-CG 3.93Å; W99-P105 HydrophobicContact CZ2-CB 4.06Å; W99-P105 HydrophobicContact CZ2-CG 3.45Å; W99-P105 VanDerWaalsContact CZ2-CG 3.45Å; W99-P105 HydrophobicContact CZ3-CB 3.87Å; W99-P105 HydrophobicContact CZ3-CG 4.2Å; W99-M114 HydrophobicContact CZ3-CE 4.31Å; W99-L130 HydrophobicContact CE3-CD1 4.11Å; W99-L130 HydrophobicContact CE3-CG 4.47Å; W99-L130 HydrophobicContact CZ3-CD2 4.4Å; W99-H131 HydrophobicContact CB-CB 3.65Å; W99-H131 WeakPolarHBondContact CB-O 3.34Å; W99-H131 VanDerWaalsContact CE3-O 3.25Å; W99-L132 HydrophobicContact CD2-CD1 4.08Å; W99-L132 HydrophobicContact CE3-CD1 4.26Å; W99-L132 HydrophobicContact CH2-CD1 3.84Å; W99-L132 HydrophobicContact CZ2-CD1 3.59Å; W99-L132 HydrophobicContact CZ3-CD1 4.17Å; W99-T133 PolarHBondContact NE1-OG1 3.3Å; W99-Y145 HydrophobicContact CH2-CD1 4.38Å; W99-Y145 AromaticContact CH2-CD2 3.73Å; W99-Y145 HydrophobicContact CH2-CD2 3.73Å; W99-Y145 AromaticContact CH2-CE2 3.9Å; W99-Y145 HydrophobicContact CH2-CE2 3.9Å; W99-Y145 AromaticContact CH2-CG 3.96Å; W99-Y145 HydrophobicContact CH2-CG 3.96Å; W99-Y145 AromaticContact CZ2-CD2 3.67Å; W99-Y145 HydrophobicContact CZ2-CD2 3.67Å; W99-Y145 AromaticContact CZ2-CE2 3.57Å; W99-Y145 HydrophobicContact CZ2-CE2 3.57Å; W99-Y145 HydrophobicContact CZ2-CG 4.37Å
100	H	89.6	Confident	92.6	Very high	111 Å²	111	37.2 Å²	37.2	51%	0.514	23%	0.225	S	C	.	.			trans	-138.6	124.1	175	-168.3	-75.6	0	0	0	110.4	A102 G103 P105	H100-A102 VanDerWaalsContact C-N 3.26Å; H100-A102 WeakPolarHBondContact ND1-CB 3.43Å; H100-A102 PolarHBondContact ND1-N 3.3Å; H100-A102 PolarHBondContact O-N 2.92Å; H100-A102 VanDerWaalsContact O-N 3.12Å; H100-G103 PolarHBondContact O-N 3.01Å; H100-P105 WeakPolarHBondContact O-CD 3.47Å; H100-P105 WeakPolarHBondContact O-CG 3.45Å
101	P	85.1	Confident	92.4	Very high	49 Å²	49	38.6 Å²	38.6	32%	0.318	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-54.2	-36.3	-173.9	-29	35.2	0	0	0	115	G103 D104	P101-G103 PolarHBondContact O-N 2.79Å; P101-G103 VanDerWaalsContact O-N 3.09Å; P101-D104 PolarHBondContact O-N 2.98Å; P101-D104 VanDerWaalsContact O-N 3.11Å
102	A	84.8	Confident	92.5	Very high	92 Å²	92	37 Å²	37	76%	0.76	22%	0.217	S	C	*	.	G	3₁₀ helix	trans	-60.8	-17.9	178.2	0	0	0	0	0	114.6	H100	H100-A102 VanDerWaalsContact C-N 3.26Å; H100-A102 WeakPolarHBondContact ND1-CB 3.43Å; H100-A102 PolarHBondContact ND1-N 3.3Å; H100-A102 PolarHBondContact O-N 2.92Å; H100-A102 VanDerWaalsContact O-N 3.12Å
103	G	85.3	Confident	92.6	Very high	43 Å²	43	36.2 Å²	36.2	44%	0.443	21%	0.212	S	C	.	.	G	3₁₀ helix	trans	-89	4.5	178	0	0	0	0	0	114.7	H100 P101	H100-G103 PolarHBondContact O-N 3.01Å; P101-G103 PolarHBondContact O-N 2.79Å; P101-G103 VanDerWaalsContact O-N 3.09Å
104	D	90.8	Very high	92.6	Very high	65 Å²	65	35.9 Å²	35.9	35%	0.348	21%	0.21	S	C	.	.			trans	49.8	53.4	-170.7	-169.8	17.9	0	0	0	112.5	P101 G106 S107 K109	P101-D104 PolarHBondContact O-N 2.98Å; P101-D104 VanDerWaalsContact O-N 3.11Å; D104-G106 VanDerWaalsContact C-N 3.29Å; D104-G106 PolarHBondContact O-N 2.92Å; D104-S107 WeakPolarHBondContact O-CB 3.26Å; D104-S107 PolarHBondContact O-N 3.04Å; D104-S107 VanDerWaalsContact O-N 3.16Å; D104-S107 PolarHBondContact O-OG 3.19Å; D104-S107 WeakPolarHBondContact OD2-CB 3.4Å; D104-S107 PolarHBondContact OD2-OG 2.86Å; D104-K109 IonicContact OD2-NZ 2.71Å; D104-K109 PolarHBondContact OD2-NZ 3.32Å
105	P	93.9	Very high	92.4	Very high	4 Å²	4	36.7 Å²	36.7	3%	0.026	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-17.5	-160.1	28.8	-38.5	0	0	0	114.9	W99 H100 S112 S113 M114	W99-P105 HydrophobicContact CD2-CB 3.61Å; W99-P105 HydrophobicContact CD2-CG 3.56Å; W99-P105 HydrophobicContact CE3-CB 3.65Å; W99-P105 HydrophobicContact CE3-CG 4.04Å; W99-P105 HydrophobicContact CG-CB 4.18Å; W99-P105 HydrophobicContact CG-CG 4.07Å; W99-P105 HydrophobicContact CH2-CB 4.07Å; W99-P105 HydrophobicContact CH2-CG 3.93Å; W99-P105 HydrophobicContact CZ2-CB 4.06Å; W99-P105 HydrophobicContact CZ2-CG 3.45Å; W99-P105 VanDerWaalsContact CZ2-CG 3.45Å; W99-P105 HydrophobicContact CZ3-CB 3.87Å; W99-P105 HydrophobicContact CZ3-CG 4.2Å; H100-P105 WeakPolarHBondContact O-CD 3.47Å; H100-P105 WeakPolarHBondContact O-CG 3.45Å; P105-S112 WeakPolarHBondContact O-CB 3.28Å; P105-S113 WeakPolarHBondContact CB-OG 3.33Å; P105-S113 PolarHBondContact O-N 3.08Å; P105-M114 VanDerWaalsContact O-CB 3.32Å; P105-M114 WeakPolarHBondContact O-CB 3.14Å; P105-M114 PolarHBondContact O-N 3.26Å
106	G	93.4	Very high	92.3	Very high	5 Å²	5	36.6 Å²	36.6	5%	0.052	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-5.7	176.7	0	0	0	0	0	115	D104 K148	D104-G106 VanDerWaalsContact C-N 3.29Å; D104-G106 PolarHBondContact O-N 2.92Å; G106-K148 PolarHBondContact O-NZ 2.88Å
107	S	93.4	Very high	92.3	Very high	20 Å²	20	36.6 Å²	36.6	14%	0.14	21%	0.214	C	C	.	.	S	Bend	trans	-72	173.2	-177.5	68.1	0	0	0	0	113.6	D104 K109 S112	D104-S107 WeakPolarHBondContact O-CB 3.26Å; D104-S107 PolarHBondContact O-N 3.04Å; D104-S107 VanDerWaalsContact O-N 3.16Å; D104-S107 PolarHBondContact O-OG 3.19Å; D104-S107 WeakPolarHBondContact OD2-CB 3.4Å; D104-S107 PolarHBondContact OD2-OG 2.86Å; S107-K109 VanDerWaalsContact C-N 3.28Å; S107-K109 PolarHBondContact OG-N 3.32Å; S107-S112 WeakPolarHBondContact O-CB 3.38Å; S107-S112 PolarHBondContact O-OG 2.8Å
108	D	90.6	Very high	92.1	Very high	103 Å²	103	37.1 Å²	37.1	55%	0.551	22%	0.217	S	C	*	.	S	Bend	trans	-88.2	9.7	173.8	-61.3	-54.5	0	0	0	113.4	K148	D108-K148 VanDerWaalsContact CG-NZ 3.26Å; D108-K148 VanDerWaalsContact OD1-CE 3.22Å; D108-K148 WeakPolarHBondContact OD1-CE 3.23Å; D108-K148 IonicContact OD1-NZ 2.76Å; D108-K148 PolarHBondContact OD1-NZ 2.98Å; D108-K148 IonicContact OD2-NZ 3.02Å; D108-K148 PolarHBondContact OD2-NZ 3.31Å
109	K	88.3	Confident	91.8	Very high	113 Å²	113	36.5 Å²	36.5	49%	0.491	21%	0.214	S	C	.	.	S	Bend	trans	-64.8	139.2	172.7	-67.8	171.7	-178.7	150.6	0	109.3	D104 S107 T111 S112 M115	D104-K109 IonicContact OD2-NZ 2.71Å; D104-K109 PolarHBondContact OD2-NZ 3.32Å; S107-K109 VanDerWaalsContact C-N 3.28Å; S107-K109 PolarHBondContact OG-N 3.32Å; K109-T111 PolarHBondContact O-N 3.36Å; K109-S112 VanDerWaalsContact O-CB 3.3Å; K109-S112 WeakPolarHBondContact O-CB 3.35Å; K109-S112 PolarHBondContact O-N 3.36Å; K109-S112 PolarHBondContact O-OG 2.98Å; K109-S112 VanDerWaalsContact O-OG 3.14Å; K109-M115 WeakPolarHBondContact O-CB 3.34Å; K109-M115 VanDerWaalsContact O-CG 3.29Å; K109-M115 WeakPolarHBondContact O-CG 3Å
110	E	84.4	Confident	91.7	Very high	68 Å²	68	35.9 Å²	35.9	32%	0.318	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-21.4	176.6	70.8	-163.5	166	0	0	113.9	A74 I116 F410	A74-E110 VanDerWaalsContact CA-OE1 3.23Å; A74-E110 WeakPolarHBondContact CA-OE1 3.22Å; A74-E110 WeakPolarHBondContact CB-OE1 3.39Å; E110-I116 WeakPolarHBondContact O-CD1 2.87Å; E110-F410 WeakPolarHBondContact OE2-CE2 3.2Å; E110-F410 WeakPolarHBondContact OE2-CZ 3.36Å
111	T	90.4	Very high	91.9	Very high	29 Å²	29	30.8 Å²	30.8	18%	0.178	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-2.3	177.9	52.6	0	0	0	0	113.5	P70 P71 K109	P70-T111 VanDerWaalsContact CB-O 3.29Å; P70-T111 WeakPolarHBondContact CB-O 3.37Å; P71-T111 WeakPolarHBondContact O-CB 3.45Å; P71-T111 WeakPolarHBondContact O-CG2 3.19Å; K109-T111 PolarHBondContact O-N 3.36Å
112	S	96.1	Very high	92	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.007	18%	0.177	C	C	.	.	S	Bend	trans	-75.7	148.8	-178.4	85	0	0	0	0	111.5	P105 S107 K109 M114 M115 I116	P105-S112 WeakPolarHBondContact O-CB 3.28Å; S107-S112 WeakPolarHBondContact O-CB 3.38Å; S107-S112 PolarHBondContact O-OG 2.8Å; K109-S112 VanDerWaalsContact O-CB 3.3Å; K109-S112 WeakPolarHBondContact O-CB 3.35Å; K109-S112 PolarHBondContact O-N 3.36Å; K109-S112 PolarHBondContact O-OG 2.98Å; K109-S112 VanDerWaalsContact O-OG 3.14Å; S112-M114 PolarHBondContact O-N 3.39Å; S112-M115 PolarHBondContact O-N 3.47Å; S112-M115 WeakPolarHBondContact OG-CG 3.4Å; S112-M115 PolarHBondContact OG-N 3.44Å; S112-M115 VanDerWaalsContact OG-N 3.11Å; S112-I116 WeakPolarHBondContact O-CG1 3.2Å; S112-I116 PolarHBondContact O-N 3.31Å
113	S	97.8	Very high	92.1	Very high	1 Å²	1	26.2 Å²	26.2	1%	0.007	15%	0.146	C	C	.	.	H	α-helix	trans	-54.8	-41.5	174.6	-55.7	0	0	0	0	111.7	P70 T98 P105 I116 A117	P70-S113 WeakPolarHBondContact CG-OG 3.43Å; T98-S113 WeakPolarHBondContact O-CB 3.26Å; T98-S113 PolarHBondContact O-OG 3.48Å; P105-S113 WeakPolarHBondContact CB-OG 3.33Å; P105-S113 PolarHBondContact O-N 3.08Å; S113-I116 PolarHBondContact O-N 2.88Å; S113-A117 WeakPolarHBondContact O-CB 3.29Å; S113-A117 PolarHBondContact O-N 2.65Å
114	M	97.1	Very high	92.2	Very high	1 Å²	1	25.1 Å²	25.1	1%	0.005	13%	0.132	C	C	.	.	H	α-helix	trans	-60	-46.9	179	-171.7	69.6	70.7	0	0	112	W99 P105 S112 S118 L130 Y145 K148 A149 L152 L154	W99-M114 HydrophobicContact CZ3-CE 4.31Å; P105-M114 VanDerWaalsContact O-CB 3.32Å; P105-M114 WeakPolarHBondContact O-CB 3.14Å; P105-M114 PolarHBondContact O-N 3.26Å; S112-M114 PolarHBondContact O-N 3.39Å; M114-S118 VanDerWaalsContact O-CB 3.23Å; M114-S118 WeakPolarHBondContact O-CB 3.49Å; M114-S118 PolarHBondContact O-N 2.78Å; M114-L130 HydrophobicContact CE-CD2 3.89Å; M114-L130 HydrophobicContact SD-CD2 3.76Å; M114-Y145 WeakPolarHBondContact CE-O 3.37Å; M114-K148 HydrophobicContact CE-CB 4.41Å; M114-K148 HydrophobicContact CE-CD 4.45Å; M114-K148 HydrophobicContact CE-CG 4.43Å; M114-K148 HydrophobicContact CG-CD 4.17Å; M114-K148 HydrophobicContact CG-CG 4.34Å; M114-K148 HydrophobicContact SD-CG 4.32Å; M114-A149 HydrophobicContact CE-CB 4.22Å; M114-A149 HydrophobicContact SD-CB 3.97Å; M114-L152 HydrophobicContact CG-CD1 3.73Å; M114-L152 HydrophobicContact SD-CD1 3.98Å; M114-L154 HydrophobicContact SD-CD1 4.1Å
115	M	94	Very high	92.2	Very high	19 Å²	19	23.4 Å²	23.4	9%	0.094	13%	0.13	C	C	.	.	H	α-helix	trans	-73.1	-36.7	-178.7	-68.5	-58	95.3	0	0	112.6	K109 S112 T119 L152	K109-M115 WeakPolarHBondContact O-CB 3.34Å; K109-M115 VanDerWaalsContact O-CG 3.29Å; K109-M115 WeakPolarHBondContact O-CG 3Å; S112-M115 PolarHBondContact O-N 3.47Å; S112-M115 WeakPolarHBondContact OG-CG 3.4Å; S112-M115 PolarHBondContact OG-N 3.44Å; S112-M115 VanDerWaalsContact OG-N 3.11Å; M115-T119 VanDerWaalsContact O-CB 3.28Å; M115-T119 WeakPolarHBondContact O-CB 3.15Å; M115-T119 PolarHBondContact O-N 2.7Å; M115-T119 PolarHBondContact O-OG1 3.37Å; M115-L152 HydrophobicContact CE-CD1 3.46Å; M115-L152 VanDerWaalsContact CE-CD1 3.46Å
116	I	95.5	Very high	92.1	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.005	13%	0.133	C	C	.	.	H	α-helix	trans	-63.9	-46.5	174.5	-65.5	-63.6	0	0	0	110.8	A77 L80 F84 I97 E110 S112 S113 T119 A120	A77-I116 HydrophobicContact CB-CD1 4Å; L80-I116 HydrophobicContact CD2-CG2 3.89Å; F84-I116 HydrophobicContact CE2-CG2 3.84Å; F84-I116 HydrophobicContact CZ-CG2 3.72Å; I97-I116 HydrophobicContact CD1-CG2 3.8Å; I97-I116 HydrophobicContact CG1-CG2 4.22Å; I97-I116 HydrophobicContact CG2-CB 4.27Å; I97-I116 HydrophobicContact CG2-CG2 4.02Å; E110-I116 WeakPolarHBondContact O-CD1 2.87Å; S112-I116 WeakPolarHBondContact O-CG1 3.2Å; S112-I116 PolarHBondContact O-N 3.31Å; S113-I116 PolarHBondContact O-N 2.88Å; I116-T119 WeakPolarHBondContact O-CB 3.41Å; I116-T119 PolarHBondContact O-N 3.27Å; I116-A120 PolarHBondContact O-N 3.18Å
117	A	97.1	Very high	92.3	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-65.5	-43.3	177.6	0	0	0	0	0	112.2	I97 S113 T119 A120 V121 L130 L154	I97-A117 HydrophobicContact CB-CB 4.15Å; I97-A117 HydrophobicContact CG1-CB 3.84Å; S113-A117 WeakPolarHBondContact O-CB 3.29Å; S113-A117 PolarHBondContact O-N 2.65Å; A117-T119 PolarHBondContact O-N 2.82Å; A117-A120 PolarHBondContact O-N 2.74Å; A117-V121 PolarHBondContact O-N 2.92Å; A117-V121 VanDerWaalsContact O-N 3.15Å; A117-L130 HydrophobicContact CB-CB 4.38Å; A117-L130 HydrophobicContact CB-CD1 4.02Å; A117-L154 HydrophobicContact CB-CD1 4.09Å; A117-L154 HydrophobicContact CB-CD2 3.9Å
118	S	94.3	Very high	92.5	Very high	10 Å²	10	23.9 Å²	23.9	7%	0.07	13%	0.128	C	C	.	.	H	α-helix	trans	-57.6	-40.2	172.6	177.3	0	0	0	0	111.6	M114 V121 N122	M114-S118 VanDerWaalsContact O-CB 3.23Å; M114-S118 WeakPolarHBondContact O-CB 3.49Å; M114-S118 PolarHBondContact O-N 2.78Å; S118-V121 PolarHBondContact O-N 3.02Å; S118-N122 VanDerWaalsContact O-CB 3.29Å; S118-N122 WeakPolarHBondContact O-CB 3.44Å; S118-N122 PolarHBondContact O-N 2.76Å; S118-N122 PolarHBondContact O-ND2 2.78Å; S118-N122 PolarHBondContact OG-ND2 2.74Å
119	T	91.1	Very high	92.9	Very high	18 Å²	18	19 Å²	19	11%	0.11	10%	0.102	C	C	.	.	H	α-helix	trans	-66.8	-40.3	179.5	-65.1	0	0	0	0	112.3	I81 M115 I116 A117 V121 Y123 C124	I81-T119 HydrophobicContact CD1-CG2 3.72Å; I81-T119 HydrophobicContact CG1-CG2 3.71Å; I81-T119 HydrophobicContact CG2-CG2 4.18Å; M115-T119 VanDerWaalsContact O-CB 3.28Å; M115-T119 WeakPolarHBondContact O-CB 3.15Å; M115-T119 PolarHBondContact O-N 2.7Å; M115-T119 PolarHBondContact O-OG1 3.37Å; I116-T119 WeakPolarHBondContact O-CB 3.41Å; I116-T119 PolarHBondContact O-N 3.27Å; A117-T119 PolarHBondContact O-N 2.82Å; T119-V121 PolarHBondContact O-N 2.9Å; T119-Y123 HydrophobicContact CG2-CD2 3.91Å; T119-Y123 WeakPolarHBondContact O-CB 3.01Å; T119-Y123 PolarHBondContact O-N 2.96Å; T119-C124 PolarHBondContact O-N 3.25Å
120	A	93.1	Very high	93.3	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-60.1	-44.8	175.3	0	0	0	0	0	112	F84 I95 I116 A117 C124 G125 L126 S128	F84-A120 HydrophobicContact CD2-CB 4.07Å; F84-A120 HydrophobicContact CE2-CB 3.96Å; I95-A120 HydrophobicContact CD1-CB 3.62Å; I95-A120 HydrophobicContact CG1-CB 4.49Å; I116-A120 PolarHBondContact O-N 3.18Å; A117-A120 PolarHBondContact O-N 2.74Å; A120-C124 CarbonylContact O-C 3.6Å; A120-C124 WeakPolarHBondContact O-CA 3.23Å; A120-C124 WeakPolarHBondContact O-CB 3.37Å; A120-C124 PolarHBondContact O-N 2.79Å; A120-G125 PolarHBondContact O-N 2.95Å; A120-G125 VanDerWaalsContact O-N 3.1Å; A120-L126 HydrophobicContact CB-CB 4.44Å; A120-L126 PolarHBondContact O-N 3.22Å; A120-S128 VanDerWaalsContact CB-OG 3.29Å; A120-S128 WeakPolarHBondContact CB-OG 3.18Å
121	V	93.5	Very high	94	Very high	4 Å²	4	11 Å²	11	2%	0.024	7%	0.067	C	C	.	.	H	α-helix	trans	-68	-54.6	177.7	173	0	0	0	0	111.8	A117 S118 T119 L154 A357 N358	A117-V121 PolarHBondContact O-N 2.92Å; A117-V121 VanDerWaalsContact O-N 3.15Å; S118-V121 PolarHBondContact O-N 3.02Å; T119-V121 PolarHBondContact O-N 2.9Å; V121-L154 HydrophobicContact CG2-CD2 3.72Å; V121-A357 HydrophobicContact CG1-CB 4.07Å; V121-A357 PolarHBondContact O-N 3.47Å; V121-N358 HydrophobicContact CG1-CB 4.3Å
122	N	87.8	Confident	94.3	Very high	18 Å²	18	9.8 Å²	9.8	10%	0.096	6%	0.059	C	C	.	.	H	α-helix	trans	-75.4	-43.3	-167.5	-73.2	-62.7	0	0	0	112	S118 L152 S356 N358 I379	S118-N122 VanDerWaalsContact O-CB 3.29Å; S118-N122 WeakPolarHBondContact O-CB 3.44Å; S118-N122 PolarHBondContact O-N 2.76Å; S118-N122 PolarHBondContact O-ND2 2.78Å; S118-N122 PolarHBondContact OG-ND2 2.74Å; N122-L152 PolarHBondContact ND2-O 2.75Å; N122-S356 PolarHBondContact O-OG 3.02Å; N122-N358 WeakPolarHBondContact OD1-CB 3.46Å; N122-N358 PolarHBondContact OD1-ND2 2.95Å; N122-I379 HydrophobicContact CB-CG2 4.46Å; N122-I379 WeakPolarHBondContact O-CD1 3.16Å
123	Y	85.9	Confident	94.3	Very high	27 Å²	27	10.1 Å²	10.1	11%	0.106	6%	0.061	C	C	.	.	H	α-helix	trans	-107.2	-27.2	-170.3	-57.8	-67.2	0	0	0	114.7	T119 K376 I379 Y411	T119-Y123 HydrophobicContact CG2-CD2 3.91Å; T119-Y123 WeakPolarHBondContact O-CB 3.01Å; T119-Y123 PolarHBondContact O-N 2.96Å; Y123-K376 HydrophobicContact CD1-CB 3.84Å; Y123-K376 HydrophobicContact CD1-CG 3.86Å; Y123-K376 HydrophobicContact CE1-CB 4.19Å; Y123-K376 WeakPolarHBondContact CE1-O 3.39Å; Y123-K376 HydrophobicContact CG-CG 4.22Å; Y123-I379 HydrophobicContact CD1-CB 3.98Å; Y123-I379 HydrophobicContact CD1-CD1 3.95Å; Y123-I379 HydrophobicContact CD1-CG2 3.89Å; Y123-I379 HydrophobicContact CE1-CB 3.79Å; Y123-I379 HydrophobicContact CE1-CG2 3.59Å; Y123-Y411 HydrophobicContact CE1-CE1 4.33Å; Y123-Y411 HydrophobicContact CE2-CE1 4.11Å; Y123-Y411 AromaticContact CE2-CZ 3.92Å; Y123-Y411 WeakPolarHBondContact CE2-OH 3.44Å; Y123-Y411 AromaticContact CZ-CE1 3.97Å; Y123-Y411 AromaticContact CZ-CZ 3.75Å; Y123-Y411 PolarHBondContact OH-OH 3.05Å
124	C	88	Confident	93.9	Very high	21 Å²	21	10.1 Å²	10.1	14%	0.142	6%	0.061	C	C	.	.	H	α-helix	trans	-101.2	-9.2	-178.9	-45.2	0	0	0	0	112.6	F84 T119 A120 L126	F84-C124 HydrophobicContact CB-CB 4.24Å; T119-C124 PolarHBondContact O-N 3.25Å; A120-C124 CarbonylContact O-C 3.6Å; A120-C124 WeakPolarHBondContact O-CA 3.23Å; A120-C124 WeakPolarHBondContact O-CB 3.37Å; A120-C124 PolarHBondContact O-N 2.79Å; C124-L126 VanDerWaalsContact C-N 3.26Å; C124-L126 HydrophobicContact CB-CD1 4.1Å; C124-L126 HydrophobicContact CB-CG 4.07Å; C124-L126 PolarHBondContact O-N 3.04Å
125	G	90.2	Very high	93.3	Very high	29 Å²	29	10.3 Å²	10.3	30%	0.299	6%	0.063	S	C	.	.			trans	69.2	21.6	-180	0	0	0	0	0	114.2	A120 V355	A120-G125 PolarHBondContact O-N 2.95Å; A120-G125 VanDerWaalsContact O-N 3.1Å; G125-V355 WeakPolarHBondContact CA-O 3.39Å
126	L	93.3	Very high	92.6	Very high	18 Å²	18	13.9 Å²	13.9	9%	0.094	8%	0.082	C	C	.	.			trans	-97.5	127.5	-175.2	-62.9	176.4	0	0	0	111.7	F84 P92 I95 A120 C124 S128	F84-L126 HydrophobicContact CB-CD1 3.83Å; F84-L126 HydrophobicContact CG-CD1 4.32Å; P92-L126 HydrophobicContact CG-CD2 4.39Å; I95-L126 HydrophobicContact CD1-CB 4.3Å; I95-L126 HydrophobicContact CD1-CD1 3.91Å; I95-L126 HydrophobicContact CG1-CB 4.33Å; I95-L126 HydrophobicContact CG2-CD1 4.18Å; A120-L126 HydrophobicContact CB-CB 4.44Å; A120-L126 PolarHBondContact O-N 3.22Å; C124-L126 VanDerWaalsContact C-N 3.26Å; C124-L126 HydrophobicContact CB-CD1 4.1Å; C124-L126 HydrophobicContact CB-CG 4.07Å; C124-L126 PolarHBondContact O-N 3.04Å; L126-S128 PolarHBondContact O-N 3.49Å; L126-S128 PolarHBondContact O-OG 3.27Å
127	E	96.1	Very high	92.1	Very high	20 Å²	20	14.6 Å²	14.6	9%	0.093	9%	0.085	C	C	.	.			trans	-58.4	119.8	166.1	-172.8	68.8	-108.4	0	0	108.6	L49 K52 F94 I95 K155 N156	L49-E127 HydrophobicContact CD1-CG 4.17Å; K52-E127 IonicContact NZ-OE2 2.82Å; K52-E127 PolarHBondContact NZ-OE2 3.09Å; F94-E127 CarbonylContact C-O 3.54Å; F94-E127 WeakPolarHBondContact CA-O 3.47Å; F94-E127 HydrophobicContact CB-CB 4.23Å; F94-E127 HydrophobicContact CB-CG 4.03Å; F94-E127 WeakPolarHBondContact CB-O 3.37Å; I95-E127 PolarHBondContact N-O 2.96Å; E127-K155 WeakPolarHBondContact OE1-CE 3.44Å; E127-K155 IonicContact OE1-NZ 3.78Å; E127-K155 PolarHBondContact OE1-NZ 3.15Å; E127-K155 WeakPolarHBondContact OE2-CE 3.43Å; E127-K155 IonicContact OE2-NZ 2.78Å; E127-K155 PolarHBondContact OE2-NZ 3.35Å; E127-N156 PolarHBondContact OE1-ND2 3.39Å
128	S	97.5	Very high	91.7	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	136.9	-168.1	-58.3	0	0	0	0	112	I95 A120 L126 N156	I95-S128 CarbonylContact O-C 3.39Å; I95-S128 VanDerWaalsContact O-CA 3.27Å; I95-S128 WeakPolarHBondContact O-CA 3.35Å; A120-S128 VanDerWaalsContact CB-OG 3.29Å; A120-S128 WeakPolarHBondContact CB-OG 3.18Å; L126-S128 PolarHBondContact O-N 3.49Å; L126-S128 PolarHBondContact O-OG 3.27Å; S128-N156 PolarHBondContact O-ND2 2.81Å
129	V	98.7	Very high	91.5	Very high	1 Å²	1	21.4 Å²	21.4	1%	0.006	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	126.2	168.8	-169.5	0	0	0	0	109	L49 F94 I95 D96 I97 N156 M158	L49-V129 HydrophobicContact CD2-CG2 4.01Å; F94-V129 HydrophobicContact CD2-CG2 3.65Å; F94-V129 HydrophobicContact CE2-CG2 4.02Å; F94-V129 HydrophobicContact CG-CG2 4.35Å; I95-V129 PolarHBondContact O-N 2.92Å; D96-V129 WeakPolarHBondContact CA-O 3.49Å; D96-V129 WeakPolarHBondContact OD1-CB 3.34Å; D96-V129 WeakPolarHBondContact OD1-CG2 3.41Å; I97-V129 PolarHBondContact N-O 3.23Å; V129-N156 WeakPolarHBondContact CA-O 2.67Å; V129-N156 HydrophobicContact CB-CB 4.17Å; V129-N156 HydrophobicContact CG1-CB 4.16Å; V129-N156 HydrophobicContact CG2-CB 3.79Å; V129-M158 HydrophobicContact CG1-CB 3.99Å
130	L	98.7	Very high	91.6	Very high	3 Å²	3	27 Å²	27	2%	0.016	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	123.3	173.5	176.3	64	0	0	0	109.1	W99 M114 A117 A149 L154 N156 I157 M158	W99-L130 HydrophobicContact CE3-CD1 4.11Å; W99-L130 HydrophobicContact CE3-CG 4.47Å; W99-L130 HydrophobicContact CZ3-CD2 4.4Å; M114-L130 HydrophobicContact CE-CD2 3.89Å; M114-L130 HydrophobicContact SD-CD2 3.76Å; A117-L130 HydrophobicContact CB-CB 4.38Å; A117-L130 HydrophobicContact CB-CD1 4.02Å; L130-A149 HydrophobicContact CD2-CB 4.28Å; L130-L154 HydrophobicContact CB-CD1 4.21Å; L130-L154 HydrophobicContact CD2-CD1 3.8Å; L130-N156 PolarHBondContact N-O 2.86Å; L130-I157 HydrophobicContact CB-CD1 4.17Å; L130-I157 WeakPolarHBondContact O-CA 3.46Å; L130-M158 PolarHBondContact O-N 3.04Å
131	H	98.4	Very high	91.6	Very high	10 Å²	10	31.1 Å²	31.1	5%	0.046	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	146.6	170.8	-67.3	-159	0	0	0	109.9	E67 D96 I97 W99 M158 L160	E67-H131 IonicContact OE2-CE1 2.82Å; E67-H131 PolarHBondContact OE2-CE1 2.93Å; E67-H131 IonicContact OE2-NE2 3.5Å; D96-H131 IonicContact OD2-NE2 3.46Å; I97-H131 WeakPolarHBondContact O-CB 3.47Å; I97-H131 PolarHBondContact O-CD2 3.04Å; I97-H131 PolarHBondContact O-N 3.49Å; W99-H131 HydrophobicContact CB-CB 3.65Å; W99-H131 WeakPolarHBondContact CB-O 3.34Å; W99-H131 VanDerWaalsContact CE3-O 3.25Å; H131-M158 HydrophobicContact CB-CB 4.45Å; H131-M158 PolarHBondContact CE1-SD 2.88Å; H131-M158 PolarHBondContact NE2-SD 2.94Å; H131-M158 VanDerWaalsContact NE2-SD 3.41Å; H131-L160 HydrophobicContact CB-CD1 4.11Å
132	L	97.3	Very high	91.6	Very high	4 Å²	4	31 Å²	31	2%	0.021	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	120.8	175.1	-173.3	61.5	0	0	0	109.7	W99 I142 Y145 L146 I157 M158 L160 L182	W99-L132 HydrophobicContact CD2-CD1 4.08Å; W99-L132 HydrophobicContact CE3-CD1 4.26Å; W99-L132 HydrophobicContact CH2-CD1 3.84Å; W99-L132 HydrophobicContact CZ2-CD1 3.59Å; W99-L132 HydrophobicContact CZ3-CD1 4.17Å; L132-I142 HydrophobicContact CD1-CD1 4.12Å; L132-I142 HydrophobicContact CD2-CD1 4.34Å; L132-I142 HydrophobicContact CD2-CG2 4.33Å; L132-I142 HydrophobicContact CG-CD1 4.17Å; L132-Y145 HydrophobicContact CD1-CD2 4.15Å; L132-L146 HydrophobicContact CD2-CD2 3.74Å; L132-L146 HydrophobicContact CD2-CG 3.99Å; L132-I157 HydrophobicContact CB-CG2 3.93Å; L132-I157 HydrophobicContact CD2-CG2 4.41Å; L132-M158 PolarHBondContact N-O 3Å; L132-L160 PolarHBondContact O-N 2.93Å; L132-L182 HydrophobicContact CB-CD2 4.37Å; L132-L182 HydrophobicContact CD2-CD1 4.28Å; L132-L182 HydrophobicContact CD2-CD2 4.45Å; L132-L182 HydrophobicContact CG-CD2 4.25Å; L132-L182 VanDerWaalsContact O-CD2 3.3Å; L132-L182 WeakPolarHBondContact O-CD2 3.38Å
133	T	95.1	Very high	92	Very high	8 Å²	8	31.9 Å²	31.9	5%	0.049	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	137.7	177.4	63	0	0	0	0	111	W99 L160	W99-T133 PolarHBondContact NE1-OG1 3.3Å; T133-L160 VanDerWaalsContact CA-O 3.31Å; T133-L160 WeakPolarHBondContact CA-O 3.05Å; T133-L160 HydrophobicContact CG2-CB 3.96Å; T133-L160 HydrophobicContact CG2-CD1 4.44Å
134	C	90.2	Very high	92.5	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.007	18%	0.182	C	C	.	.			trans	-97.6	-13.4	-178.6	63.9	0	0	0	0	115.4	N136 Q137 L160 R161 F176 L182	C134-N136 PolarHBondContact O-N 3.33Å; C134-Q137 PolarHBondContact O-N 3.44Å; C134-L160 PolarHBondContact N-O 3.09Å; C134-L160 VanDerWaalsContact N-O 3.11Å; C134-L160 PolarHBondContact SG-O 3.04Å; C134-R161 PolarHBondContact N-O 3.33Å; C134-R161 VanDerWaalsContact N-O 3.15Å; C134-F176 HydrophobicContact CB-CB 3.48Å; C134-F176 VanDerWaalsContact CB-CB 3.48Å; C134-F176 HydrophobicContact CB-CD1 4.29Å; C134-F176 HydrophobicContact CB-CD2 4.03Å; C134-F176 HydrophobicContact CB-CG 3.72Å; C134-L182 HydrophobicContact CB-CB 4.13Å; C134-L182 HydrophobicContact CB-CD2 4.16Å
135	C	83.9	Confident	93	Very high	5 Å²	5	33.7 Å²	33.7	3%	0.034	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	134.4	179.4	-163.1	0	0	0	0	111.4	Q137 R161	C135-Q137 VanDerWaalsContact C-N 3.26Å; C135-Q137 PolarHBondContact O-N 2.99Å; C135-R161 WeakPolarHBondContact CB-O 3.12Å; C135-R161 PolarHBondContact N-O 2.93Å
136	N	79.3	Confident	93.4	Very high	93 Å²	93	32.3 Å²	32.3	50%	0.497	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.6	33.8	-177.4	-59.9	-24.8	0	0	0	114	C134	C134-N136 PolarHBondContact O-N 3.33Å
137	Q	84.5	Confident	93.6	Very high	16 Å²	16	33.8 Å²	33.8	8%	0.075	18%	0.181	C	C	.	.			trans	-127.2	140.2	174.7	-55.2	-59	-49.5	0	0	111.2	C134 C135 I142	C134-Q137 PolarHBondContact O-N 3.44Å; C135-Q137 VanDerWaalsContact C-N 3.26Å; C135-Q137 PolarHBondContact O-N 2.99Å; Q137-I142 HydrophobicContact CB-CD1 3.91Å; Q137-I142 HydrophobicContact CB-CG1 3.84Å; Q137-I142 HydrophobicContact CG-CD1 4.1Å
138	T	88.7	Confident	93.7	Very high	67 Å²	67	35 Å²	35	41%	0.411	19%	0.186	S	C	.	.			trans	-77.8	159.2	171.8	82	0	0	0	0	111.3	E140 K141 I142	T138-E140 VanDerWaalsContact C-N 3.32Å; T138-E140 WeakPolarHBondContact CB-OE2 3.47Å; T138-E140 PolarHBondContact O-N 3.2Å; T138-E140 PolarHBondContact OG1-OE2 3.03Å; T138-K141 PolarHBondContact O-N 3.4Å; T138-K141 PolarHBondContact OG1-N 3Å; T138-I142 PolarHBondContact O-N 3.34Å; T138-I142 VanDerWaalsContact O-N 3.08Å
139	K	91.2	Very high	93.7	Very high	87 Å²	87	35.1 Å²	35.1	38%	0.378	19%	0.186	S	C	.	.	H	α-helix	trans	-55.8	-44.6	175.2	-78.1	175.7	171.6	162.8	0	112.6	K141 I142 T143 G174 F176	K139-K141 VanDerWaalsContact C-N 3.28Å; K139-K141 PolarHBondContact O-N 3.36Å; K139-I142 PolarHBondContact O-N 3.19Å; K139-T143 WeakPolarHBondContact O-CB 3.44Å; K139-T143 PolarHBondContact O-N 2.93Å; K139-T143 PolarHBondContact O-OG1 3.4Å; K139-T143 VanDerWaalsContact O-OG1 3.1Å; K139-G174 WeakPolarHBondContact CE-O 3.23Å; K139-G174 PolarHBondContact NZ-O 3.16Å; K139-F176 HydrophobicContact CB-CE2 4.34Å; K139-F176 HydrophobicContact CG-CD2 4.4Å; K139-F176 HydrophobicContact CG-CE2 3.69Å; K139-F176 HydrophobicContact CG-CZ 3.8Å
140	E	92.4	Very high	93.6	Very high	134 Å²	134	39.3 Å²	39.3	63%	0.626	20%	0.204	S	C	*	.	H	α-helix	trans	-61.2	-41.4	-179.4	-57	69.8	-148.1	0	0	110.9	T138 T143 S144	T138-E140 VanDerWaalsContact C-N 3.32Å; T138-E140 WeakPolarHBondContact CB-OE2 3.47Å; T138-E140 PolarHBondContact O-N 3.2Å; T138-E140 PolarHBondContact OG1-OE2 3.03Å; E140-T143 PolarHBondContact O-N 3.4Å; E140-S144 WeakPolarHBondContact O-CB 3.31Å; E140-S144 PolarHBondContact O-N 3.44Å
141	K	92.4	Very high	93.4	Very high	88 Å²	88	45.5 Å²	45.5	38%	0.383	23%	0.233	S	C	.	.	H	α-helix	trans	-67.6	-45.1	-180	-170	164.6	173.7	-162.7	0	111.5	T138 K139 S144 Y145	T138-K141 PolarHBondContact O-N 3.4Å; T138-K141 PolarHBondContact OG1-N 3Å; K139-K141 VanDerWaalsContact C-N 3.28Å; K139-K141 PolarHBondContact O-N 3.36Å; K141-S144 PolarHBondContact O-N 3.32Å; K141-S144 PolarHBondContact O-OG 2.87Å; K141-Y145 HydrophobicContact CD-CE2 4.46Å; K141-Y145 WeakPolarHBondContact CE-OH 3.3Å; K141-Y145 HydrophobicContact CG-CD2 4.41Å; K141-Y145 HydrophobicContact CG-CE1 4.45Å; K141-Y145 HydrophobicContact CG-CE2 3.78Å; K141-Y145 WeakPolarHBondContact O-CD2 3.47Å; K141-Y145 PolarHBondContact O-N 3.31Å
142	I	94.5	Very high	93	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-60.3	-46.4	173.7	-69.9	-65.3	0	0	0	111.3	L132 Q137 T138 K139 S144 Y145 L146 F176 L182	L132-I142 HydrophobicContact CD1-CD1 4.12Å; L132-I142 HydrophobicContact CD2-CD1 4.34Å; L132-I142 HydrophobicContact CD2-CG2 4.33Å; L132-I142 HydrophobicContact CG-CD1 4.17Å; Q137-I142 HydrophobicContact CB-CD1 3.91Å; Q137-I142 HydrophobicContact CB-CG1 3.84Å; Q137-I142 HydrophobicContact CG-CD1 4.1Å; T138-I142 PolarHBondContact O-N 3.34Å; T138-I142 VanDerWaalsContact O-N 3.08Å; K139-I142 PolarHBondContact O-N 3.19Å; I142-S144 VanDerWaalsContact C-N 3.29Å; I142-S144 PolarHBondContact O-N 3.44Å; I142-Y145 HydrophobicContact CD1-CD2 4.49Å; I142-Y145 PolarHBondContact O-N 3.32Å; I142-Y145 VanDerWaalsContact O-N 3.15Å; I142-L146 HydrophobicContact CG2-CD1 3.85Å; I142-L146 HydrophobicContact CG2-CG 4.47Å; I142-L146 WeakPolarHBondContact O-CG 3.34Å; I142-L146 PolarHBondContact O-N 2.9Å; I142-F176 HydrophobicContact CB-CE2 3.86Å; I142-F176 HydrophobicContact CB-CZ 4.32Å; I142-F176 HydrophobicContact CG1-CD2 4.13Å; I142-F176 HydrophobicContact CG1-CE2 3.64Å; I142-F176 HydrophobicContact CG1-CZ 4.46Å; I142-F176 HydrophobicContact CG2-CE2 4.11Å; I142-F176 HydrophobicContact CG2-CZ 4.1Å; I142-L182 HydrophobicContact CG2-CD1 3.53Å
143	T	96.5	Very high	92.9	Very high	37 Å²	37	46.7 Å²	46.7	23%	0.227	24%	0.241	C	C	.	.	H	α-helix	trans	-58.7	-41.2	175.9	-62.5	0	0	0	0	111.5	K139 E140 Y145 L146 A147 H185 F190	K139-T143 WeakPolarHBondContact O-CB 3.44Å; K139-T143 PolarHBondContact O-N 2.93Å; K139-T143 PolarHBondContact O-OG1 3.4Å; K139-T143 VanDerWaalsContact O-OG1 3.1Å; E140-T143 PolarHBondContact O-N 3.4Å; T143-Y145 VanDerWaalsContact C-N 3.35Å; T143-Y145 PolarHBondContact O-N 3.12Å; T143-L146 PolarHBondContact O-N 3.44Å; T143-A147 WeakPolarHBondContact O-CB 3.27Å; T143-A147 PolarHBondContact O-N 3.09Å; T143-H185 PolarHBondContact OG1-CE1 3.47Å; T143-H185 PolarHBondContact OG1-NE2 3.4Å; T143-F190 HydrophobicContact CG2-CE2 4.47Å; T143-F190 HydrophobicContact CG2-CZ 4.42Å
144	S	96.8	Very high	93	Very high	60 Å²	60	46.4 Å²	46.4	42%	0.42	24%	0.239	S	C	.	.	H	α-helix	trans	-63.1	-39.4	177	80.2	0	0	0	0	112.5	E140 K141 I142 K148	E140-S144 WeakPolarHBondContact O-CB 3.31Å; E140-S144 PolarHBondContact O-N 3.44Å; K141-S144 PolarHBondContact O-N 3.32Å; K141-S144 PolarHBondContact O-OG 2.87Å; I142-S144 VanDerWaalsContact C-N 3.29Å; I142-S144 PolarHBondContact O-N 3.44Å; S144-K148 WeakPolarHBondContact O-CB 3.42Å; S144-K148 PolarHBondContact O-N 3.35Å
145	Y	97.4	Very high	93.3	Very high	26 Å²	26	47.2 Å²	47.2	10%	0.102	24%	0.242	C	C	.	.	H	α-helix	trans	-66.9	-42.1	176.1	-65.1	-29	0	0	0	112.1	W99 M114 L132 K141 I142 T143 K148 A149	W99-Y145 HydrophobicContact CH2-CD1 4.38Å; W99-Y145 AromaticContact CH2-CD2 3.73Å; W99-Y145 HydrophobicContact CH2-CD2 3.73Å; W99-Y145 AromaticContact CH2-CE2 3.9Å; W99-Y145 HydrophobicContact CH2-CE2 3.9Å; W99-Y145 AromaticContact CH2-CG 3.96Å; W99-Y145 HydrophobicContact CH2-CG 3.96Å; W99-Y145 AromaticContact CZ2-CD2 3.67Å; W99-Y145 HydrophobicContact CZ2-CD2 3.67Å; W99-Y145 AromaticContact CZ2-CE2 3.57Å; W99-Y145 HydrophobicContact CZ2-CE2 3.57Å; W99-Y145 HydrophobicContact CZ2-CG 4.37Å; M114-Y145 WeakPolarHBondContact CE-O 3.37Å; L132-Y145 HydrophobicContact CD1-CD2 4.15Å; K141-Y145 HydrophobicContact CD-CE2 4.46Å; K141-Y145 WeakPolarHBondContact CE-OH 3.3Å; K141-Y145 HydrophobicContact CG-CD2 4.41Å; K141-Y145 HydrophobicContact CG-CE1 4.45Å; K141-Y145 HydrophobicContact CG-CE2 3.78Å; K141-Y145 WeakPolarHBondContact O-CD2 3.47Å; K141-Y145 PolarHBondContact O-N 3.31Å; I142-Y145 HydrophobicContact CD1-CD2 4.49Å; I142-Y145 PolarHBondContact O-N 3.32Å; I142-Y145 VanDerWaalsContact O-N 3.15Å; T143-Y145 VanDerWaalsContact C-N 3.35Å; T143-Y145 PolarHBondContact O-N 3.12Å; Y145-K148 PolarHBondContact O-N 3.23Å; Y145-A149 WeakPolarHBondContact O-CB 3.25Å; Y145-A149 PolarHBondContact O-N 3.42Å
146	L	98.3	Very high	94	Very high	1 Å²	1	47 Å²	47	1%	0.005	24%	0.241	C	C	.	.	H	α-helix	trans	-64.9	-43	176.5	-68.8	165.5	0	0	0	111.7	L132 I142 T143 K148 A149 K150 I157 I186 F190 F194	L132-L146 HydrophobicContact CD2-CD2 3.74Å; L132-L146 HydrophobicContact CD2-CG 3.99Å; I142-L146 HydrophobicContact CG2-CD1 3.85Å; I142-L146 HydrophobicContact CG2-CG 4.47Å; I142-L146 WeakPolarHBondContact O-CG 3.34Å; I142-L146 PolarHBondContact O-N 2.9Å; T143-L146 PolarHBondContact O-N 3.44Å; L146-K148 VanDerWaalsContact C-N 3.34Å; L146-K148 PolarHBondContact O-N 3.22Å; L146-A149 PolarHBondContact O-N 3.03Å; L146-K150 WeakPolarHBondContact O-CB 3.45Å; L146-K150 PolarHBondContact O-N 3.15Å; L146-I157 HydrophobicContact CD2-CD1 4.3Å; L146-I157 HydrophobicContact CD2-CG1 4.1Å; L146-I186 HydrophobicContact CD1-CG1 3.67Å; L146-I186 HydrophobicContact CD2-CD1 4.2Å; L146-I186 HydrophobicContact CD2-CG1 3.92Å; L146-I186 HydrophobicContact CG-CG1 4.46Å; L146-F190 HydrophobicContact CB-CD2 4.12Å; L146-F190 HydrophobicContact CB-CE1 4.22Å; L146-F190 HydrophobicContact CB-CE2 3.38Å; L146-F190 HydrophobicContact CB-CZ 3.44Å; L146-F190 VanDerWaalsContact CB-CZ 3.44Å; L146-F190 HydrophobicContact CD1-CD2 4.07Å; L146-F190 HydrophobicContact CD1-CE2 3.68Å; L146-F190 HydrophobicContact CG-CE2 4.16Å; L146-F194 HydrophobicContact CB-CE2 4.34Å; L146-F194 HydrophobicContact CD2-CE2 4.17Å; L146-F194 HydrophobicContact CD2-CZ 4.43Å
147	A	98	Very high	94.9	Very high	48 Å²	48	42.7 Å²	42.7	40%	0.397	22%	0.217	S	C	.	.	H	α-helix	trans	-61.2	-43.2	175.4	0	0	0	0	0	111.5	T143 K150 H151 F190	T143-A147 WeakPolarHBondContact O-CB 3.27Å; T143-A147 PolarHBondContact O-N 3.09Å; A147-K150 PolarHBondContact O-N 2.98Å; A147-H151 WeakPolarHBondContact O-CB 3.33Å; A147-H151 PolarHBondContact O-N 3.05Å; A147-F190 HydrophobicContact CB-CZ 4.31Å
148	K	97.4	Very high	95.6	Very high	47 Å²	47	42.3 Å²	42.3	20%	0.204	22%	0.216	C	C	.	.	H	α-helix	trans	-63.4	-45.7	174.6	-175.9	173.8	-178.7	177.1	0	112	G106 D108 M114 S144 Y145 L146 K150 H151 L152	G106-K148 PolarHBondContact O-NZ 2.88Å; D108-K148 VanDerWaalsContact CG-NZ 3.26Å; D108-K148 VanDerWaalsContact OD1-CE 3.22Å; D108-K148 WeakPolarHBondContact OD1-CE 3.23Å; D108-K148 IonicContact OD1-NZ 2.76Å; D108-K148 PolarHBondContact OD1-NZ 2.98Å; D108-K148 IonicContact OD2-NZ 3.02Å; D108-K148 PolarHBondContact OD2-NZ 3.31Å; M114-K148 HydrophobicContact CE-CB 4.41Å; M114-K148 HydrophobicContact CE-CD 4.45Å; M114-K148 HydrophobicContact CE-CG 4.43Å; M114-K148 HydrophobicContact CG-CD 4.17Å; M114-K148 HydrophobicContact CG-CG 4.34Å; M114-K148 HydrophobicContact SD-CG 4.32Å; S144-K148 WeakPolarHBondContact O-CB 3.42Å; S144-K148 PolarHBondContact O-N 3.35Å; Y145-K148 PolarHBondContact O-N 3.23Å; L146-K148 VanDerWaalsContact C-N 3.34Å; L146-K148 PolarHBondContact O-N 3.22Å; K148-K150 VanDerWaalsContact C-N 3.35Å; K148-K150 PolarHBondContact O-N 2.78Å; K148-H151 PolarHBondContact O-N 3.01Å; K148-L152 HydrophobicContact CG-CD1 3.91Å; K148-L152 WeakPolarHBondContact O-CG 3.49Å; K148-L152 PolarHBondContact O-N 2.98Å
149	A	97.9	Very high	96	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.008	20%	0.196	C	C	.	.	H	α-helix	trans	-58.2	-47.5	177.3	0	0	0	0	0	111.3	M114 L130 Y145 L146 H151 L152 G153 L154 I157	M114-A149 HydrophobicContact CE-CB 4.22Å; M114-A149 HydrophobicContact SD-CB 3.97Å; L130-A149 HydrophobicContact CD2-CB 4.28Å; Y145-A149 WeakPolarHBondContact O-CB 3.25Å; Y145-A149 PolarHBondContact O-N 3.42Å; L146-A149 PolarHBondContact O-N 3.03Å; A149-H151 PolarHBondContact O-N 3.43Å; A149-L152 PolarHBondContact O-N 2.79Å; A149-G153 PolarHBondContact O-N 2.92Å; A149-L154 HydrophobicContact CB-CB 4.09Å; A149-L154 HydrophobicContact CB-CD1 3.9Å; A149-L154 WeakPolarHBondContact O-CB 3.36Å; A149-L154 PolarHBondContact O-N 3.14Å; A149-I157 HydrophobicContact CB-CD1 4.46Å
150	K	96.8	Very high	96.3	Very high	89 Å²	89	36.5 Å²	36.5	39%	0.387	19%	0.186	S	C	.	.	H	α-helix	trans	-57.8	-46.6	174.3	171.7	165.2	-174.8	-178.7	0	112.1	L146 A147 K148 L152 G153 F190 Y193 F194	L146-K150 WeakPolarHBondContact O-CB 3.45Å; L146-K150 PolarHBondContact O-N 3.15Å; A147-K150 PolarHBondContact O-N 2.98Å; K148-K150 VanDerWaalsContact C-N 3.35Å; K148-K150 PolarHBondContact O-N 2.78Å; K150-L152 VanDerWaalsContact C-N 3.29Å; K150-L152 PolarHBondContact O-N 2.91Å; K150-G153 PolarHBondContact O-N 2.81Å; K150-F190 HydrophobicContact CD-CD1 4.11Å; K150-F190 HydrophobicContact CD-CE1 4.33Å; K150-Y193 HydrophobicContact CB-CD1 4.38Å; K150-Y193 HydrophobicContact CB-CE1 3.72Å; K150-Y193 HydrophobicContact CD-CD1 3.83Å; K150-Y193 HydrophobicContact CD-CD2 4.17Å; K150-Y193 HydrophobicContact CD-CE1 3.77Å; K150-Y193 HydrophobicContact CD-CE2 4.1Å; K150-Y193 HydrophobicContact CD-CG 4.06Å; K150-Y193 HydrophobicContact CG-CD1 4.16Å; K150-Y193 HydrophobicContact CG-CE1 3.55Å; K150-Y193 HydrophobicContact CG-CE2 4.08Å; K150-F194 HydrophobicContact CB-CZ 3.89Å
151	H	93.7	Very high	96.3	Very high	133 Å²	133	32.3 Å²	32.3	62%	0.616	17%	0.165	S	C	*	.	H	α-helix	trans	-60.3	-38.5	178.7	-178.6	78.9	0	0	0	112.5	A147 K148 A149 G153	A147-H151 WeakPolarHBondContact O-CB 3.33Å; A147-H151 PolarHBondContact O-N 3.05Å; K148-H151 PolarHBondContact O-N 3.01Å; A149-H151 PolarHBondContact O-N 3.43Å; H151-G153 PolarHBondContact O-N 3.04Å
152	L	91.8	Very high	96	Very high	36 Å²	36	28.9 Å²	28.9	19%	0.188	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77	-0.5	177.3	-65.5	169.5	0	0	0	113.9	M114 M115 N122 K148 A149 K150	M114-L152 HydrophobicContact CG-CD1 3.73Å; M114-L152 HydrophobicContact SD-CD1 3.98Å; M115-L152 HydrophobicContact CE-CD1 3.46Å; M115-L152 VanDerWaalsContact CE-CD1 3.46Å; N122-L152 PolarHBondContact ND2-O 2.75Å; K148-L152 HydrophobicContact CG-CD1 3.91Å; K148-L152 WeakPolarHBondContact O-CG 3.49Å; K148-L152 PolarHBondContact O-N 2.98Å; A149-L152 PolarHBondContact O-N 2.79Å; K150-L152 VanDerWaalsContact C-N 3.29Å; K150-L152 PolarHBondContact O-N 2.91Å
153	G	93.8	Very high	95.3	Very high	4 Å²	4	34.7 Å²	34.7	4%	0.041	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	89	6.9	177.5	0	0	0	0	0	114.9	A149 K150 H151 P359	A149-G153 PolarHBondContact O-N 2.92Å; K150-G153 PolarHBondContact O-N 2.81Å; H151-G153 PolarHBondContact O-N 3.04Å; G153-P359 VanDerWaalsContact O-CD 3.22Å; G153-P359 WeakPolarHBondContact O-CD 3.33Å
154	L	96.9	Very high	94	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.005	19%	0.19	C	C	.	.			trans	-69.8	141.1	171.7	-67.2	161.9	0	0	0	109.9	M114 A117 V121 L130 A149 Y193 F194	M114-L154 HydrophobicContact SD-CD1 4.1Å; A117-L154 HydrophobicContact CB-CD1 4.09Å; A117-L154 HydrophobicContact CB-CD2 3.9Å; V121-L154 HydrophobicContact CG2-CD2 3.72Å; L130-L154 HydrophobicContact CB-CD1 4.21Å; L130-L154 HydrophobicContact CD2-CD1 3.8Å; A149-L154 HydrophobicContact CB-CB 4.09Å; A149-L154 HydrophobicContact CB-CD1 3.9Å; A149-L154 WeakPolarHBondContact O-CB 3.36Å; A149-L154 PolarHBondContact O-N 3.14Å; L154-Y193 WeakPolarHBondContact O-CE1 3.43Å; L154-Y193 PolarHBondContact O-OH 3.48Å; L154-F194 WeakPolarHBondContact O-CE1 3.39Å
155	K	96.9	Very high	92.4	Very high	19 Å²	19	37.8 Å²	37.8	8%	0.083	20%	0.203	C	C	.	.			trans	-134.8	0.7	-178.5	66.4	176.7	-177.3	179.7	0	114.2	D47 E127 F194 D195 P359	D47-K155 PolarHBondContact O-NZ 2.78Å; D47-K155 VanDerWaalsContact O-NZ 3.15Å; E127-K155 WeakPolarHBondContact OE1-CE 3.44Å; E127-K155 IonicContact OE1-NZ 3.78Å; E127-K155 PolarHBondContact OE1-NZ 3.15Å; E127-K155 WeakPolarHBondContact OE2-CE 3.43Å; E127-K155 IonicContact OE2-NZ 2.78Å; E127-K155 PolarHBondContact OE2-NZ 3.35Å; K155-F194 CarbonylContact O-C 3.5Å; K155-F194 VanDerWaalsContact O-CA 3.3Å; K155-F194 WeakPolarHBondContact O-CA 3.47Å; K155-D195 PolarHBondContact O-N 2.89Å; K155-P359 HydrophobicContact CD-CG 4.49Å
156	N	98.6	Very high	90.7	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.005	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	131.2	178.1	-36.7	-69.4	0	0	0	110.2	L49 E127 S128 V129 L130 D195	L49-N156 WeakPolarHBondContact CB-OD1 3.31Å; L49-N156 HydrophobicContact CD2-CB 4.27Å; E127-N156 PolarHBondContact OE1-ND2 3.39Å; S128-N156 PolarHBondContact O-ND2 2.81Å; V129-N156 WeakPolarHBondContact CA-O 2.67Å; V129-N156 HydrophobicContact CB-CB 4.17Å; V129-N156 HydrophobicContact CG1-CB 4.16Å; V129-N156 HydrophobicContact CG2-CB 3.79Å; L130-N156 PolarHBondContact N-O 2.86Å; N156-D195 CarbonylContact C-O 3.46Å; N156-D195 VanDerWaalsContact CA-O 3.27Å; N156-D195 WeakPolarHBondContact CA-O 3.19Å
157	I	98.7	Very high	88.6	Confident	1 Å²	1	47.5 Å²	47.5	1%	0.005	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	131.4	-178	-57.9	-65.3	0	0	0	109.9	L130 L132 L146 A149 I186 F194 D195 I196 C197	L130-I157 HydrophobicContact CB-CD1 4.17Å; L130-I157 WeakPolarHBondContact O-CA 3.46Å; L132-I157 HydrophobicContact CB-CG2 3.93Å; L132-I157 HydrophobicContact CD2-CG2 4.41Å; L146-I157 HydrophobicContact CD2-CD1 4.3Å; L146-I157 HydrophobicContact CD2-CG1 4.1Å; A149-I157 HydrophobicContact CB-CD1 4.46Å; I157-I186 HydrophobicContact CB-CD1 4.46Å; I157-I186 HydrophobicContact CG2-CD1 3.94Å; I157-F194 HydrophobicContact CD1-CD1 4.24Å; I157-F194 HydrophobicContact CD1-CE1 4.09Å; I157-F194 HydrophobicContact CG1-CB 4.41Å; I157-F194 HydrophobicContact CG1-CD1 3.55Å; I157-F194 HydrophobicContact CG1-CE1 3.86Å; I157-F194 HydrophobicContact CG1-CG 3.95Å; I157-F194 HydrophobicContact CG1-CZ 4.49Å; I157-D195 PolarHBondContact N-O 2.9Å; I157-I196 WeakPolarHBondContact O-CA 3.4Å; I157-C197 PolarHBondContact O-N 2.86Å
158	M	98.6	Very high	86.5	Confident	9 Å²	9	52.6 Å²	52.6	4%	0.044	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	108.8	165.7	-169.6	-178.9	-161.4	0	0	109.4	V129 L130 H131 L132 L160 C197 A199 I230	V129-M158 HydrophobicContact CG1-CB 3.99Å; L130-M158 PolarHBondContact O-N 3.04Å; H131-M158 HydrophobicContact CB-CB 4.45Å; H131-M158 PolarHBondContact CE1-SD 2.88Å; H131-M158 PolarHBondContact NE2-SD 2.94Å; H131-M158 VanDerWaalsContact NE2-SD 3.41Å; L132-M158 PolarHBondContact N-O 3Å; M158-L160 HydrophobicContact CE-CD2 3.97Å; M158-L160 HydrophobicContact CG-CD1 4.4Å; M158-L160 HydrophobicContact CG-CD2 4.07Å; M158-L160 HydrophobicContact CG-CG 4.04Å; M158-L160 PolarHBondContact O-N 2.85Å; M158-L160 HydrophobicContact SD-CD1 4.15Å; M158-L160 HydrophobicContact SD-CD2 4.09Å; M158-L160 HydrophobicContact SD-CG 4.29Å; M158-C197 CarbonylContact C-O 3.56Å; M158-C197 WeakPolarHBondContact CA-O 3.35Å; M158-C197 VanDerWaalsContact CA-SG 3.53Å; M158-C197 WeakPolarHBondContact CB-SG 3.41Å; M158-C197 WeakPolarHBondContact CG-SG 3.37Å; M158-A199 HydrophobicContact CE-CB 4.03Å; M158-I230 HydrophobicContact CE-CB 3.98Å; M158-I230 HydrophobicContact CE-CD1 4.44Å
159	A	98.3	Very high	84.7	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	114.8	179.8	0	0	0	0	0	110.5	L182 V183 I186 I196 C197 V198	A159-L182 HydrophobicContact CB-CB 4.4Å; A159-L182 HydrophobicContact CB-CD2 3.83Å; A159-L182 HydrophobicContact CB-CG 4Å; A159-V183 HydrophobicContact CB-CG2 3.8Å; A159-I186 HydrophobicContact CB-CD1 4.42Å; A159-I196 HydrophobicContact CB-CG2 4.02Å; A159-C197 PolarHBondContact N-O 2.91Å; A159-V198 HydrophobicContact CB-CG1 4.36Å
160	L	96.6	Very high	83.1	Confident	31 Å²	31	63 Å²	63	16%	0.162	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	151.5	-176.9	-63.5	173.8	0	0	0	110.5	H131 L132 T133 C134 M158 A199	H131-L160 HydrophobicContact CB-CD1 4.11Å; L132-L160 PolarHBondContact O-N 2.93Å; T133-L160 VanDerWaalsContact CA-O 3.31Å; T133-L160 WeakPolarHBondContact CA-O 3.05Å; T133-L160 HydrophobicContact CG2-CB 3.96Å; T133-L160 HydrophobicContact CG2-CD1 4.44Å; C134-L160 PolarHBondContact N-O 3.09Å; C134-L160 VanDerWaalsContact N-O 3.11Å; C134-L160 PolarHBondContact SG-O 3.04Å; M158-L160 HydrophobicContact CE-CD2 3.97Å; M158-L160 HydrophobicContact CG-CD1 4.4Å; M158-L160 HydrophobicContact CG-CD2 4.07Å; M158-L160 HydrophobicContact CG-CG 4.04Å; M158-L160 PolarHBondContact O-N 2.85Å; M158-L160 HydrophobicContact SD-CD1 4.15Å; M158-L160 HydrophobicContact SD-CD2 4.09Å; M158-L160 HydrophobicContact SD-CG 4.29Å; L160-A199 HydrophobicContact CD2-CB 3.73Å
161	R	92.6	Very high	81.7	Confident	46 Å²	46	63.7 Å²	63.7	17%	0.174	34%	0.344	C	S	.	.			trans	-67.9	-52.6	168.1	-172.4	-170.6	67.3	-176.3	1.6	109.3	C134 C135 E207	C134-R161 PolarHBondContact N-O 3.33Å; C134-R161 VanDerWaalsContact N-O 3.15Å; C135-R161 WeakPolarHBondContact CB-O 3.12Å; C135-R161 PolarHBondContact N-O 2.93Å; R161-E207 IonicContact CZ-OE2 3.87Å; R161-E207 IonicContact NH1-OE2 2.81Å; R161-E207 PolarHBondContact NH1-OE2 3.12Å; R161-E207 IonicContact NH2-OE1 3.52Å; R161-E207 IonicContact NH2-OE2 2.63Å; R161-E207 PolarHBondContact NH2-OE2 2.79Å
162	G	85.6	Confident	80.3	Confident	17 Å²	17	62.7 Å²	62.7	18%	0.175	34%	0.339	C	S	.	.			trans	90.6	171.4	-165.8	0	0	0	0	0	111.4
163	D	79.8	Confident	78.9	Confident	122 Å²	122	70.7 Å²	70.7	65%	0.652	38%	0.376	S	S	*	.			trans	-99.1	136	177.1	-61.2	-36.7	0	0	0	109.6
164	P	70.3	Confident	77.6	Confident	50 Å²	50	73 Å²	73	33%	0.325	40%	0.4	S	S	.	.			trans	-62.6	145.8	177.1	25	-31.8	0	0	0	111.1	W169	P164-W169 HydrophobicContact CB-CB 3.93Å; P164-W169 HydrophobicContact CB-CG 3.99Å
165	V	63.4	Low	76.6	Confident	112 Å²	112	73.8 Å²	73.8	68%	0.679	41%	0.408	S	S	*	.	S	Bend	trans	-98	104.3	175.9	-177.6	0	0	0	0	108.4
166	G	60.2	Low	76.1	Confident	57 Å²	57	73.4 Å²	73.4	59%	0.588	41%	0.406	S	S	*	.	S	Bend	trans	105.3	176.2	-177.1	0	0	0	0	0	113.1
167	D	55	Low	75.6	Confident	173 Å²	173	74.9 Å²	74.9	93%	0.925	42%	0.415	S	S	*	.	S	Bend	trans	-86.7	-18.2	-176.8	-67.8	-35.6	0	0	0	113.3
168	D	54.1	Low	75.2	Confident	156 Å²	156	80.2 Å²	80.2	83%	0.834	44%	0.438	S	S	*	.			trans	-105.6	98.1	-178.6	-62.4	-41	0	0	0	110.3
169	W	59.9	Low	75.1	Confident	92 Å²	92	80.4 Å²	80.4	35%	0.348	44%	0.441	S	S	.	.			trans	-111.1	117.3	170.1	-177.4	70.4	0	0	0	109.1	P164 D171 N177	P164-W169 HydrophobicContact CB-CB 3.93Å; P164-W169 HydrophobicContact CB-CG 3.99Å; W169-D171 WeakPolarHBondContact CH2-OD1 3.5Å; W169-D171 WeakPolarHBondContact CZ3-OD1 3.34Å; W169-N177 HydrophobicContact CH2-CB 4.3Å; W169-N177 HydrophobicContact CZ2-CB 4.36Å
170	E	64	Low	75	Confident	174 Å²	174	81.2 Å²	81.2	81%	0.813	45%	0.445	S	S	*	.			trans	-110.6	138.4	174.3	-65.9	-173	165.6	0	0	109.3	E172	E170-E172 PolarHBondContact O-N 3.37Å
171	D	67.3	Low	74.9	Confident	104 Å²	104	81.9 Å²	81.9	56%	0.556	45%	0.449	S	S	*	.			trans	-58.4	126.2	173.6	-77	-35.2	0	0	0	109.8	W169	W169-D171 WeakPolarHBondContact CH2-OD1 3.5Å; W169-D171 WeakPolarHBondContact CZ3-OD1 3.34Å
172	E	64.4	Low	75.1	Confident	111 Å²	111	79.7 Å²	79.7	52%	0.519	44%	0.441	S	S	.	.			trans	-90.3	118.7	178.6	-167.1	174.1	-166.3	0	0	109.5	E170 G174 G175 N177	E170-E172 PolarHBondContact O-N 3.37Å; E172-G174 PolarHBondContact O-N 3.02Å; E172-G175 PolarHBondContact O-N 3.21Å; E172-N177 PolarHBondContact N-OD1 2.93Å
173	E	62.6	Low	75.7	Confident	204 Å²	204	78.9 Å²	78.9	95%	0.953	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	111.5	-179.8	-165	174.3	-168.9	0	0	110.2
174	G	65.4	Low	76.6	Confident	54 Å²	54	78.6 Å²	78.6	56%	0.557	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.7	1.9	-175.3	0	0	0	0	0	115.4	K139 E172	K139-G174 WeakPolarHBondContact CE-O 3.23Å; K139-G174 PolarHBondContact NZ-O 3.16Å; E172-G174 PolarHBondContact O-N 3.02Å
175	G	76.1	Confident	77.9	Confident	17 Å²	17	77.2 Å²	77.2	18%	0.175	42%	0.415	C	S	.	.	S	Bend	trans	-86.7	-159.8	174.8	0	0	0	0	0	114.2	E172	E172-G175 PolarHBondContact O-N 3.21Å
176	F	86.9	Confident	79.5	Confident	10 Å²	10	71.9 Å²	71.9	4%	0.044	38%	0.382	C	S	.	.			trans	-109.8	108.2	175.2	-67.2	-73.2	0	0	0	110.8	C134 K139 I142 D181 L182 H185	C134-F176 HydrophobicContact CB-CB 3.48Å; C134-F176 VanDerWaalsContact CB-CB 3.48Å; C134-F176 HydrophobicContact CB-CD1 4.29Å; C134-F176 HydrophobicContact CB-CD2 4.03Å; C134-F176 HydrophobicContact CB-CG 3.72Å; K139-F176 HydrophobicContact CB-CE2 4.34Å; K139-F176 HydrophobicContact CG-CD2 4.4Å; K139-F176 HydrophobicContact CG-CE2 3.69Å; K139-F176 HydrophobicContact CG-CZ 3.8Å; I142-F176 HydrophobicContact CB-CE2 3.86Å; I142-F176 HydrophobicContact CB-CZ 4.32Å; I142-F176 HydrophobicContact CG1-CD2 4.13Å; I142-F176 HydrophobicContact CG1-CE2 3.64Å; I142-F176 HydrophobicContact CG1-CZ 4.46Å; I142-F176 HydrophobicContact CG2-CE2 4.11Å; I142-F176 HydrophobicContact CG2-CZ 4.1Å; F176-D181 HydrophobicContact CD1-CB 3.65Å; F176-D181 HydrophobicContact CE1-CB 4.39Å; F176-L182 HydrophobicContact CD1-CB 4.49Å; F176-H185 HydrophobicContact CE1-CB 3.57Å; F176-H185 AromaticContact CE1-CG 3.86Å; F176-H185 HydrophobicContact CZ-CB 3.82Å; F176-H185 AromaticContact CZ-CD2 3.76Å; F176-H185 AromaticContact CZ-CG 3.56Å; F176-H185 AromaticContact CZ-ND1 3.93Å
177	N	87.1	Confident	81.3	Confident	33 Å²	33	71.2 Å²	71.2	18%	0.176	36%	0.362	C	S	.	.			trans	-97.7	-32.2	-178.1	-60.4	-26.1	0	0	0	111.1	W169 E172 D181	W169-N177 HydrophobicContact CH2-CB 4.3Å; W169-N177 HydrophobicContact CZ2-CB 4.36Å; E172-N177 PolarHBondContact N-OD1 2.93Å; N177-D181 PolarHBondContact N-OD2 2.77Å; N177-D181 VanDerWaalsContact N-OD2 3.16Å
178	F	92	Very high	83.3	Confident	113 Å²	113	66.5 Å²	66.5	50%	0.496	34%	0.343	S	S	.	.	S	Bend	trans	-130.8	159.2	-178.5	-60.4	-78.2	0	0	0	112.4	V180 D181	F178-V180 HydrophobicContact CB-CG1 3.85Å; F178-V180 PolarHBondContact O-N 2.95Å; F178-V180 VanDerWaalsContact O-N 3.16Å; F178-D181 PolarHBondContact N-OD2 2.95Å; F178-D181 WeakPolarHBondContact O-CB 3.14Å; F178-D181 PolarHBondContact O-N 2.83Å
179	A	94.9	Very high	85.4	Confident	12 Å²	12	64.3 Å²	64.3	10%	0.099	33%	0.328	C	S	.	.	H	α-helix	trans	-59.5	-27.4	175.6	0	0	0	0	0	112.8	D181 L182 V183 K221	A179-D181 PolarHBondContact O-N 3.38Å; A179-L182 WeakPolarHBondContact O-CB 3.25Å; A179-L182 PolarHBondContact O-N 3.04Å; A179-V183 WeakPolarHBondContact O-CG2 3.42Å; A179-V183 PolarHBondContact O-N 3.34Å; A179-K221 HydrophobicContact CB-CD 3.98Å
180	V	96.8	Very high	87.1	Confident	17 Å²	17	61 Å²	61	10%	0.103	32%	0.316	C	S	.	.	H	α-helix	trans	-62.6	-32.4	175.8	66.3	0	0	0	0	112.1	F178 L182 V183 K184 K221 A224	F178-V180 HydrophobicContact CB-CG1 3.85Å; F178-V180 PolarHBondContact O-N 2.95Å; F178-V180 VanDerWaalsContact O-N 3.16Å; V180-L182 VanDerWaalsContact C-N 3.34Å; V180-V183 PolarHBondContact O-N 3.16Å; V180-K184 HydrophobicContact CG2-CD 4.45Å; V180-K184 WeakPolarHBondContact O-CG 3.25Å; V180-K184 PolarHBondContact O-N 2.84Å; V180-K221 HydrophobicContact CB-CG 3.9Å; V180-A224 HydrophobicContact CG2-CB 3.68Å
181	D	95.4	Very high	88.6	Confident	46 Å²	46	58.7 Å²	58.7	25%	0.246	31%	0.309	C	S	.	.	H	α-helix	trans	-67.6	-39.5	177.5	-56.9	-40.4	0	0	0	110.3	F176 N177 F178 A179 K184 H185	F176-D181 HydrophobicContact CD1-CB 3.65Å; F176-D181 HydrophobicContact CE1-CB 4.39Å; N177-D181 PolarHBondContact N-OD2 2.77Å; N177-D181 VanDerWaalsContact N-OD2 3.16Å; F178-D181 PolarHBondContact N-OD2 2.95Å; F178-D181 WeakPolarHBondContact O-CB 3.14Å; F178-D181 PolarHBondContact O-N 2.83Å; A179-D181 PolarHBondContact O-N 3.38Å; D181-K184 PolarHBondContact O-N 3.09Å; D181-H185 VanDerWaalsContact O-CB 3.31Å; D181-H185 WeakPolarHBondContact O-CB 3.31Å; D181-H185 PolarHBondContact O-N 3.04Å
182	L	97	Very high	89.9	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-65.5	-42.1	174.3	-178.6	59.8	0	0	0	111.8	L132 C134 I142 A159 F176 A179 V180 H185 I186	L132-L182 HydrophobicContact CB-CD2 4.37Å; L132-L182 HydrophobicContact CD2-CD1 4.28Å; L132-L182 HydrophobicContact CD2-CD2 4.45Å; L132-L182 HydrophobicContact CG-CD2 4.25Å; L132-L182 VanDerWaalsContact O-CD2 3.3Å; L132-L182 WeakPolarHBondContact O-CD2 3.38Å; C134-L182 HydrophobicContact CB-CB 4.13Å; C134-L182 HydrophobicContact CB-CD2 4.16Å; I142-L182 HydrophobicContact CG2-CD1 3.53Å; A159-L182 HydrophobicContact CB-CB 4.4Å; A159-L182 HydrophobicContact CB-CD2 3.83Å; A159-L182 HydrophobicContact CB-CG 4Å; F176-L182 HydrophobicContact CD1-CB 4.49Å; A179-L182 WeakPolarHBondContact O-CB 3.25Å; A179-L182 PolarHBondContact O-N 3.04Å; V180-L182 VanDerWaalsContact C-N 3.34Å; L182-H185 PolarHBondContact O-N 2.96Å; L182-I186 HydrophobicContact CD1-CD1 4.09Å; L182-I186 HydrophobicContact CD1-CG1 4.17Å; L182-I186 HydrophobicContact CG-CD1 3.94Å; L182-I186 HydrophobicContact CG-CG1 4.47Å; L182-I186 VanDerWaalsContact O-CG1 3.25Å; L182-I186 WeakPolarHBondContact O-CG1 3.5Å; L182-I186 PolarHBondContact O-N 3.28Å
183	V	98.1	Very high	91.4	Very high	0 Å²	0	55 Å²	55	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-58.3	-50.3	174.8	176	0	0	0	0	110.4	A159 A179 V180 H185 I186 R187 I196 V198 A224	A159-V183 HydrophobicContact CB-CG2 3.8Å; A179-V183 WeakPolarHBondContact O-CG2 3.42Å; A179-V183 PolarHBondContact O-N 3.34Å; V180-V183 PolarHBondContact O-N 3.16Å; V183-H185 VanDerWaalsContact C-N 3.32Å; V183-H185 PolarHBondContact O-N 3Å; V183-I186 PolarHBondContact O-N 3.5Å; V183-R187 WeakPolarHBondContact O-CG 3.47Å; V183-R187 PolarHBondContact O-N 2.87Å; V183-I196 HydrophobicContact CG1-CD1 4.44Å; V183-I196 HydrophobicContact CG2-CG2 4.14Å; V183-V198 HydrophobicContact CG2-CG1 3.71Å; V183-A224 HydrophobicContact CB-CB 4.38Å; V183-A224 HydrophobicContact CG1-CB 3.91Å
184	K	97.4	Very high	93.1	Very high	116 Å²	116	45.3 Å²	45.3	50%	0.504	24%	0.243	S	C	.	.	H	α-helix	trans	-59	-43.1	178.3	-72.5	171.9	-179.8	167	0	112	V180 D181 R187 S188 A224	V180-K184 HydrophobicContact CG2-CD 4.45Å; V180-K184 WeakPolarHBondContact O-CG 3.25Å; V180-K184 PolarHBondContact O-N 2.84Å; D181-K184 PolarHBondContact O-N 3.09Å; K184-R187 PolarHBondContact O-N 3.42Å; K184-S188 PolarHBondContact O-N 3.18Å; K184-S188 PolarHBondContact O-OG 2.64Å; K184-A224 HydrophobicContact CG-CB 3.98Å
185	H	97.2	Very high	94.7	Very high	20 Å²	20	42.8 Å²	42.8	9%	0.093	22%	0.217	C	C	.	.	H	α-helix	trans	-65.9	-42.6	179.5	-176.3	81.5	0	0	0	112.9	T143 F176 D181 L182 V183 R187 S188 E189	T143-H185 PolarHBondContact OG1-CE1 3.47Å; T143-H185 PolarHBondContact OG1-NE2 3.4Å; F176-H185 HydrophobicContact CE1-CB 3.57Å; F176-H185 AromaticContact CE1-CG 3.86Å; F176-H185 HydrophobicContact CZ-CB 3.82Å; F176-H185 AromaticContact CZ-CD2 3.76Å; F176-H185 AromaticContact CZ-CG 3.56Å; F176-H185 AromaticContact CZ-ND1 3.93Å; D181-H185 VanDerWaalsContact O-CB 3.31Å; D181-H185 WeakPolarHBondContact O-CB 3.31Å; D181-H185 PolarHBondContact O-N 3.04Å; L182-H185 PolarHBondContact O-N 2.96Å; V183-H185 VanDerWaalsContact C-N 3.32Å; V183-H185 PolarHBondContact O-N 3Å; H185-R187 VanDerWaalsContact C-N 3.3Å; H185-R187 PolarHBondContact O-N 2.96Å; H185-S188 PolarHBondContact O-N 3.39Å; H185-S188 PolarHBondContact O-OG 3.16Å; H185-S188 VanDerWaalsContact O-OG 3.04Å; H185-E189 WeakPolarHBondContact O-CB 3.45Å; H185-E189 WeakPolarHBondContact O-CG 3.42Å; H185-E189 PolarHBondContact O-N 3.02Å
186	I	98	Very high	95.8	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-60.9	-44.3	174.6	-65.2	163.9	0	0	0	109.8	L146 I157 A159 L182 V183 F190 F194 I196	L146-I186 HydrophobicContact CD1-CG1 3.67Å; L146-I186 HydrophobicContact CD2-CD1 4.2Å; L146-I186 HydrophobicContact CD2-CG1 3.92Å; L146-I186 HydrophobicContact CG-CG1 4.46Å; I157-I186 HydrophobicContact CB-CD1 4.46Å; I157-I186 HydrophobicContact CG2-CD1 3.94Å; A159-I186 HydrophobicContact CB-CD1 4.42Å; L182-I186 HydrophobicContact CD1-CD1 4.09Å; L182-I186 HydrophobicContact CD1-CG1 4.17Å; L182-I186 HydrophobicContact CG-CD1 3.94Å; L182-I186 HydrophobicContact CG-CG1 4.47Å; L182-I186 VanDerWaalsContact O-CG1 3.25Å; L182-I186 WeakPolarHBondContact O-CG1 3.5Å; L182-I186 PolarHBondContact O-N 3.28Å; V183-I186 PolarHBondContact O-N 3.5Å; I186-F190 WeakPolarHBondContact O-CA 3.42Å; I186-F190 WeakPolarHBondContact O-CB 3.36Å; I186-F190 PolarHBondContact O-N 3.31Å; I186-F194 HydrophobicContact CG2-CB 4.12Å; I186-F194 HydrophobicContact CG2-CD2 3.81Å; I186-F194 HydrophobicContact CG2-CG 4.33Å; I186-I196 HydrophobicContact CB-CD1 3.79Å; I186-I196 HydrophobicContact CD1-CD1 4.31Å; I186-I196 HydrophobicContact CG2-CD1 3.52Å; I186-I196 HydrophobicContact CG2-CG1 4.12Å
187	R	97.5	Very high	96.3	Very high	43 Å²	43	41.6 Å²	41.6	16%	0.162	21%	0.207	C	C	.	.	H	α-helix	trans	-66.4	-34.9	178.5	-68.4	-63.8	178.9	-142.5	-0.9	113.2	V183 K184 H185 D191 D192 F194 I196 G225 D227	V183-R187 WeakPolarHBondContact O-CG 3.47Å; V183-R187 PolarHBondContact O-N 2.87Å; K184-R187 PolarHBondContact O-N 3.42Å; H185-R187 VanDerWaalsContact C-N 3.3Å; H185-R187 PolarHBondContact O-N 2.96Å; R187-D191 WeakPolarHBondContact CD-O 3.19Å; R187-D191 PolarHBondContact NH1-O 2.93Å; R187-D191 VanDerWaalsContact O-CA 3.22Å; R187-D191 WeakPolarHBondContact O-CA 3.39Å; R187-D191 PolarHBondContact O-N 3.48Å; R187-D192 IonicContact NH1-OD1 3.71Å; R187-F194 PolarHBondContact NH1-O 3.16Å; R187-I196 HydrophobicContact CG-CD1 4.09Å; R187-I196 VanDerWaalsContact CZ-CD1 3.44Å; R187-G225 VanDerWaalsContact CZ-O 3.29Å; R187-G225 PolarHBondContact NE-O 3.46Å; R187-G225 PolarHBondContact NH2-O 3.34Å; R187-D227 IonicContact CZ-OD2 3.17Å; R187-D227 IonicContact NH2-OD1 3.72Å; R187-D227 IonicContact NH2-OD2 2.86Å; R187-D227 PolarHBondContact NH2-OD2 3.45Å
188	S	97.3	Very high	96.9	Very high	75 Å²	75	40 Å²	40	52%	0.524	20%	0.198	S	C	.	.	H	α-helix	trans	-75.1	-39.1	178.6	66	0	0	0	0	113.2	K184 H185	K184-S188 PolarHBondContact O-N 3.18Å; K184-S188 PolarHBondContact O-OG 2.64Å; H185-S188 PolarHBondContact O-N 3.39Å; H185-S188 PolarHBondContact O-OG 3.16Å; H185-S188 VanDerWaalsContact O-OG 3.04Å
189	E	97.1	Very high	97.2	Very high	109 Å²	109	35.2 Å²	35.2	51%	0.509	18%	0.179	S	C	.	.	H	α-helix	trans	-90.1	-27.5	-174.1	-65.4	-63.9	127.6	0	0	113.4	H185	H185-E189 WeakPolarHBondContact O-CB 3.45Å; H185-E189 WeakPolarHBondContact O-CG 3.42Å; H185-E189 PolarHBondContact O-N 3.02Å
190	F	97.3	Very high	97.3	Very high	24 Å²	24	34.7 Å²	34.7	11%	0.105	18%	0.175	C	C	.	.	H	α-helix	trans	-125.4	10.6	-173.6	-62.5	-91.8	0	0	0	113.4	T143 L146 A147 K150 I186 D192 Y193 F194	T143-F190 HydrophobicContact CG2-CE2 4.47Å; T143-F190 HydrophobicContact CG2-CZ 4.42Å; L146-F190 HydrophobicContact CB-CD2 4.12Å; L146-F190 HydrophobicContact CB-CE1 4.22Å; L146-F190 HydrophobicContact CB-CE2 3.38Å; L146-F190 HydrophobicContact CB-CZ 3.44Å; L146-F190 VanDerWaalsContact CB-CZ 3.44Å; L146-F190 HydrophobicContact CD1-CD2 4.07Å; L146-F190 HydrophobicContact CD1-CE2 3.68Å; L146-F190 HydrophobicContact CG-CE2 4.16Å; A147-F190 HydrophobicContact CB-CZ 4.31Å; K150-F190 HydrophobicContact CD-CD1 4.11Å; K150-F190 HydrophobicContact CD-CE1 4.33Å; I186-F190 WeakPolarHBondContact O-CA 3.42Å; I186-F190 WeakPolarHBondContact O-CB 3.36Å; I186-F190 PolarHBondContact O-N 3.31Å; F190-D192 PolarHBondContact O-N 3.06Å; F190-Y193 VanDerWaalsContact O-CB 3.23Å; F190-Y193 WeakPolarHBondContact O-CB 3.49Å; F190-Y193 PolarHBondContact O-N 2.87Å; F190-F194 HydrophobicContact CB-CD2 3.85Å; F190-F194 HydrophobicContact CB-CE2 3.99Å; F190-F194 HydrophobicContact CD1-CD2 4.47Å; F190-F194 AromaticContact CD1-CE2 3.75Å; F190-F194 HydrophobicContact CD1-CE2 3.75Å; F190-F194 HydrophobicContact CD2-CE2 4.29Å; F190-F194 HydrophobicContact CE1-CE2 4.32Å; F190-F194 HydrophobicContact CG-CD2 4.1Å; F190-F194 AromaticContact CG-CE2 3.74Å; F190-F194 HydrophobicContact CG-CE2 3.74Å
191	D	95.1	Very high	97.3	Very high	124 Å²	124	36.3 Å²	36.3	66%	0.663	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	47.8	-122.7	-178.5	-62.7	-54	0	0	0	111.2	R187	R187-D191 WeakPolarHBondContact CD-O 3.19Å; R187-D191 PolarHBondContact NH1-O 2.93Å; R187-D191 VanDerWaalsContact O-CA 3.22Å; R187-D191 WeakPolarHBondContact O-CA 3.39Å; R187-D191 PolarHBondContact O-N 3.48Å
192	D	94.8	Very high	97.4	Very high	72 Å²	72	34.5 Å²	34.5	39%	0.385	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.1	28.8	179	-167.2	33.2	0	0	0	111.1	R48 R50 R187 F190	R48-D192 IonicContact CZ-OD1 3.89Å; R48-D192 IonicContact CZ-OD2 3Å; R48-D192 PolarHBondContact NH1-O 2.68Å; R48-D192 IonicContact NH1-OD1 3.54Å; R48-D192 PolarHBondContact NH1-OD1 3Å; R48-D192 IonicContact NH1-OD2 2.57Å; R48-D192 PolarHBondContact NH1-OD2 3.41Å; R48-D192 PolarHBondContact NH2-O 2.9Å; R48-D192 IonicContact NH2-OD1 3.27Å; R48-D192 PolarHBondContact NH2-OD1 3.26Å; R50-D192 IonicContact CZ-OD1 2.74Å; R50-D192 IonicContact CZ-OD2 2.99Å; R50-D192 IonicContact NH1-OD1 3.62Å; R50-D192 PolarHBondContact NH1-OD1 3.45Å; R50-D192 IonicContact NH1-OD2 3.79Å; R50-D192 IonicContact NH2-OD1 3Å; R50-D192 PolarHBondContact NH2-OD1 3.31Å; R50-D192 IonicContact NH2-OD2 2.62Å; R50-D192 PolarHBondContact NH2-OD2 3.48Å; R187-D192 IonicContact NH1-OD1 3.71Å; F190-D192 PolarHBondContact O-N 3.06Å
193	Y	96.5	Very high	97.2	Very high	67 Å²	67	38.6 Å²	38.6	26%	0.263	20%	0.196	S	C	.	.	S	Bend	trans	-70.2	-42.3	175.8	175.5	-93.4	0	0	0	112.2	K150 L154 F190	K150-Y193 HydrophobicContact CB-CD1 4.38Å; K150-Y193 HydrophobicContact CB-CE1 3.72Å; K150-Y193 HydrophobicContact CD-CD1 3.83Å; K150-Y193 HydrophobicContact CD-CD2 4.17Å; K150-Y193 HydrophobicContact CD-CE1 3.77Å; K150-Y193 HydrophobicContact CD-CE2 4.1Å; K150-Y193 HydrophobicContact CD-CG 4.06Å; K150-Y193 HydrophobicContact CG-CD1 4.16Å; K150-Y193 HydrophobicContact CG-CE1 3.55Å; K150-Y193 HydrophobicContact CG-CE2 4.08Å; L154-Y193 WeakPolarHBondContact O-CE1 3.43Å; L154-Y193 PolarHBondContact O-OH 3.48Å; F190-Y193 VanDerWaalsContact O-CB 3.23Å; F190-Y193 WeakPolarHBondContact O-CB 3.49Å; F190-Y193 PolarHBondContact O-N 2.87Å
194	F	98.3	Very high	97	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.201	C	C	.	.	S	Bend	trans	-93.3	137.9	-177.6	-69	-72.4	0	0	0	111.8	R48 L146 K150 L154 K155 I157 I186 R187 F190 I196	R48-F194 PolarHBondContact NH2-O 3.03Å; L146-F194 HydrophobicContact CB-CE2 4.34Å; L146-F194 HydrophobicContact CD2-CE2 4.17Å; L146-F194 HydrophobicContact CD2-CZ 4.43Å; K150-F194 HydrophobicContact CB-CZ 3.89Å; L154-F194 WeakPolarHBondContact O-CE1 3.39Å; K155-F194 CarbonylContact O-C 3.5Å; K155-F194 VanDerWaalsContact O-CA 3.3Å; K155-F194 WeakPolarHBondContact O-CA 3.47Å; I157-F194 HydrophobicContact CD1-CD1 4.24Å; I157-F194 HydrophobicContact CD1-CE1 4.09Å; I157-F194 HydrophobicContact CG1-CB 4.41Å; I157-F194 HydrophobicContact CG1-CD1 3.55Å; I157-F194 HydrophobicContact CG1-CE1 3.86Å; I157-F194 HydrophobicContact CG1-CG 3.95Å; I157-F194 HydrophobicContact CG1-CZ 4.49Å; I186-F194 HydrophobicContact CG2-CB 4.12Å; I186-F194 HydrophobicContact CG2-CD2 3.81Å; I186-F194 HydrophobicContact CG2-CG 4.33Å; R187-F194 PolarHBondContact NH1-O 3.16Å; F190-F194 HydrophobicContact CB-CD2 3.85Å; F190-F194 HydrophobicContact CB-CE2 3.99Å; F190-F194 HydrophobicContact CD1-CD2 4.47Å; F190-F194 AromaticContact CD1-CE2 3.75Å; F190-F194 HydrophobicContact CD1-CE2 3.75Å; F190-F194 HydrophobicContact CD2-CE2 4.29Å; F190-F194 HydrophobicContact CE1-CE2 4.32Å; F190-F194 HydrophobicContact CG-CD2 4.1Å; F190-F194 AromaticContact CG-CE2 3.74Å; F190-F194 HydrophobicContact CG-CE2 3.74Å; F194-I196 HydrophobicContact CB-CG1 4.32Å
195	D	98.6	Very high	96.8	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.005	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	133.1	155	-68.5	-8.9	0	0	0	108.3	R48 L49 R50 K155 N156 I157 D227	R48-D195 WeakPolarHBondContact CB-OD2 3.36Å; R48-D195 IonicContact CZ-OD1 3.84Å; R48-D195 IonicContact NE-OD1 3.39Å; R48-D195 PolarHBondContact NE-OD1 3.16Å; R48-D195 IonicContact NH2-OD1 3.41Å; R48-D195 PolarHBondContact NH2-OD1 3.47Å; L49-D195 WeakPolarHBondContact CA-OD2 3.21Å; L49-D195 WeakPolarHBondContact CB-OD2 3.46Å; L49-D195 PolarHBondContact N-OD2 2.8Å; R50-D195 WeakPolarHBondContact CD-OD1 3.32Å; R50-D195 PolarHBondContact N-OD2 3.12Å; R50-D195 IonicContact NE-OD1 2.78Å; K155-D195 PolarHBondContact O-N 2.89Å; N156-D195 CarbonylContact C-O 3.46Å; N156-D195 VanDerWaalsContact CA-O 3.27Å; N156-D195 WeakPolarHBondContact CA-O 3.19Å; I157-D195 PolarHBondContact N-O 2.9Å; D195-D227 VanDerWaalsContact CA-OD2 3.28Å; D195-D227 WeakPolarHBondContact CA-OD2 3.12Å
196	I	98.8	Very high	96.3	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	127.7	-173.5	-55.9	175.9	0	0	0	109.3	I157 A159 V183 I186 R187 F194 D227	I157-I196 WeakPolarHBondContact O-CA 3.4Å; A159-I196 HydrophobicContact CB-CG2 4.02Å; V183-I196 HydrophobicContact CG1-CD1 4.44Å; V183-I196 HydrophobicContact CG2-CG2 4.14Å; I186-I196 HydrophobicContact CB-CD1 3.79Å; I186-I196 HydrophobicContact CD1-CD1 4.31Å; I186-I196 HydrophobicContact CG2-CD1 3.52Å; I186-I196 HydrophobicContact CG2-CG1 4.12Å; R187-I196 HydrophobicContact CG-CD1 4.09Å; R187-I196 VanDerWaalsContact CZ-CD1 3.44Å; F194-I196 HydrophobicContact CB-CG1 4.32Å; I196-D227 PolarHBondContact N-OD2 3.15Å; I196-D227 PolarHBondContact O-N 2.97Å
197	C	98.2	Very high	95.9	Very high	1 Å²	1	42.1 Å²	42.1	1%	0.007	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	156.6	166.4	65.7	0	0	0	0	112.2	I157 M158 A159 F228	I157-C197 PolarHBondContact O-N 2.86Å; M158-C197 CarbonylContact C-O 3.56Å; M158-C197 WeakPolarHBondContact CA-O 3.35Å; M158-C197 VanDerWaalsContact CA-SG 3.53Å; M158-C197 WeakPolarHBondContact CB-SG 3.41Å; M158-C197 WeakPolarHBondContact CG-SG 3.37Å; A159-C197 PolarHBondContact N-O 2.91Å; C197-F228 VanDerWaalsContact CA-O 3.25Å; C197-F228 WeakPolarHBondContact CA-O 3.1Å; C197-F228 HydrophobicContact CB-CD1 3.86Å; C197-F228 HydrophobicContact CB-CD2 3.67Å; C197-F228 HydrophobicContact CB-CE1 3.6Å; C197-F228 HydrophobicContact CB-CE2 3.39Å; C197-F228 HydrophobicContact CB-CG 3.91Å; C197-F228 HydrophobicContact CB-CZ 3.36Å; C197-F228 WeakPolarHBondContact CB-O 3.5Å
198	V	98.6	Very high	95.5	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	156.6	179.6	-64.9	0	0	0	0	110.7	A159 V183 L218 K221 A226 F228 V229 I230	A159-V198 HydrophobicContact CB-CG1 4.36Å; V183-V198 HydrophobicContact CG2-CG1 3.71Å; V198-L218 HydrophobicContact CG2-CD1 4.13Å; V198-K221 HydrophobicContact CB-CD 4.42Å; V198-K221 HydrophobicContact CG1-CB 4.31Å; V198-K221 HydrophobicContact CG2-CB 4.27Å; V198-A226 HydrophobicContact CB-CB 4.46Å; V198-A226 HydrophobicContact CG1-CB 3.78Å; V198-A226 HydrophobicContact CG2-CB 3.91Å; V198-F228 PolarHBondContact N-O 3.36Å; V198-V229 HydrophobicContact CG2-CG2 4.01Å; V198-V229 WeakPolarHBondContact O-CA 3.21Å; V198-I230 PolarHBondContact O-N 3.28Å
199	A	98	Very high	95.3	Very high	12 Å²	12	46 Å²	46	10%	0.099	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	142.4	175	0	0	0	0	0	112.2	M158 L160 Y201 K221 I230	M158-A199 HydrophobicContact CE-CB 4.03Å; L160-A199 HydrophobicContact CD2-CB 3.73Å; A199-Y201 HydrophobicContact CB-CE2 4.05Å; A199-K221 PolarHBondContact O-NZ 2.93Å; A199-I230 WeakPolarHBondContact CA-O 3.22Å
200	G	97.6	Very high	95.2	Very high	1 Å²	1	43 Å²	43	1%	0.01	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	153.4	166.9	0	0	0	0	0	111.9	I230 T231 Q232	G200-I230 PolarHBondContact N-O 3.46Å; G200-T231 CarbonylContact O-C 3.48Å; G200-T231 VanDerWaalsContact O-CA 3.23Å; G200-T231 WeakPolarHBondContact O-CA 3.34Å; G200-Q232 PolarHBondContact O-N 2.74Å
201	Y	97.1	Very high	95.2	Very high	52 Å²	52	44.1 Å²	44.1	20%	0.204	24%	0.235	C	C	.	.			trans	-123.7	102.7	-174.6	-63.5	-94.4	0	0	0	109.9	A199 T203 G204 H205 Q232	A199-Y201 HydrophobicContact CB-CE2 4.05Å; Y201-T203 PolarHBondContact O-N 3.03Å; Y201-G204 PolarHBondContact O-N 3.44Å; Y201-H205 HydrophobicContact CD2-CB 4.14Å; Y201-H205 AromaticContact CD2-CD2 3.92Å; Y201-H205 AromaticContact CE1-CD2 3.66Å; Y201-H205 AromaticContact CE2-CD2 3.57Å; Y201-H205 HydrophobicContact CG-CB 4.22Å; Y201-H205 AromaticContact CZ-CD2 3.43Å; Y201-H205 VanDerWaalsContact CZ-CD2 3.43Å; Y201-Q232 HydrophobicContact CD1-CB 3.79Å; Y201-Q232 HydrophobicContact CD1-CG 4.15Å; Y201-Q232 HydrophobicContact CE1-CB 4.15Å; Y201-Q232 HydrophobicContact CE1-CG 4.38Å
202	P	96.8	Very high	95.2	Very high	8 Å²	8	44.7 Å²	44.7	5%	0.052	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-21.3	-173.4	-27.8	37.1	0	0	0	115.2	T231 F234 T239 F243	P202-T231 HydrophobicContact CG-CG2 4.09Å; P202-F234 HydrophobicContact CG-CD1 4.13Å; P202-T239 HydrophobicContact CB-CG2 3.99Å; P202-F243 HydrophobicContact CB-CB 4.01Å; P202-F243 HydrophobicContact CB-CD1 4.39Å; P202-F243 HydrophobicContact CB-CG 4.08Å; P202-F243 HydrophobicContact CG-CD1 4.31Å; P202-F243 HydrophobicContact CG-CG 4.47Å
203	T	94	Very high	95.3	Very high	85 Å²	85	44.1 Å²	44.1	52%	0.521	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.5	10	177.3	57.8	0	0	0	0	113	Y201 T239 L278	Y201-T203 PolarHBondContact O-N 3.03Å; T203-T239 HydrophobicContact CG2-CG2 3.66Å; T203-L278 HydrophobicContact CG2-CD2 4.47Å; T203-L278 WeakPolarHBondContact OG1-CD2 3.16Å
204	G	93.9	Very high	95.3	Very high	11 Å²	11	41.8 Å²	41.8	11%	0.113	22%	0.221	C	C	.	.			trans	82.7	145.4	-171.8	0	0	0	0	0	113.4	Y201 D214	Y201-G204 PolarHBondContact O-N 3.44Å; G204-D214 WeakPolarHBondContact CA-OD2 3.16Å
205	H	92.2	Very high	95.2	Very high	33 Å²	33	42.4 Å²	42.4	15%	0.153	22%	0.224	C	C	.	.			trans	-65.4	135.9	174.3	-169.5	-95.4	0	0	0	111	Y201 E207 A208 D214	Y201-H205 HydrophobicContact CD2-CB 4.14Å; Y201-H205 AromaticContact CD2-CD2 3.92Å; Y201-H205 AromaticContact CE1-CD2 3.66Å; Y201-H205 AromaticContact CE2-CD2 3.57Å; Y201-H205 HydrophobicContact CG-CB 4.22Å; Y201-H205 AromaticContact CZ-CD2 3.43Å; Y201-H205 VanDerWaalsContact CZ-CD2 3.43Å; H205-E207 IonicContact CE1-OE2 3.4Å; H205-E207 PolarHBondContact ND1-N 2.89Å; H205-E207 PolarHBondContact O-N 3.38Å; H205-A208 HydrophobicContact CB-CB 4.19Å; H205-A208 WeakPolarHBondContact O-CB 3.41Å; H205-A208 PolarHBondContact O-N 2.86Å; H205-D214 WeakPolarHBondContact CB-OD1 3.2Å; H205-D214 PolarHBondContact N-OD2 3.41Å
206	P	87.6	Confident	95.2	Very high	70 Å²	70	46.3 Å²	46.3	46%	0.455	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-19	-176.2	-26.3	35.3	0	0	0	115.9	K277	P206-K277 HydrophobicContact CB-CB 4.38Å; P206-K277 HydrophobicContact CB-CD 3.66Å; P206-K277 HydrophobicContact CG-CB 3.94Å; P206-K277 HydrophobicContact CG-CD 3.86Å; P206-K277 HydrophobicContact CG-CG 4.39Å
207	E	88.1	Confident	95.1	Very high	96 Å²	96	50 Å²	50	45%	0.449	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.2	-1.4	178.9	-62	167.8	-169.9	0	0	113	R161 H205	R161-E207 IonicContact CZ-OE2 3.87Å; R161-E207 IonicContact NH1-OE2 2.81Å; R161-E207 PolarHBondContact NH1-OE2 3.12Å; R161-E207 IonicContact NH2-OE1 3.52Å; R161-E207 IonicContact NH2-OE2 2.63Å; R161-E207 PolarHBondContact NH2-OE2 2.79Å; H205-E207 IonicContact CE1-OE2 3.4Å; H205-E207 PolarHBondContact ND1-N 2.89Å; H205-E207 PolarHBondContact O-N 3.38Å
208	A	90.2	Very high	95.1	Very high	30 Å²	30	50.1 Å²	50.1	25%	0.248	26%	0.26	C	S	.	.	S	Bend	trans	-77.1	146.5	174.9	0	0	0	0	0	110.5	H205 S210 D214	H205-A208 HydrophobicContact CB-CB 4.19Å; H205-A208 WeakPolarHBondContact O-CB 3.41Å; H205-A208 PolarHBondContact O-N 2.86Å; A208-S210 VanDerWaalsContact C-N 3.27Å; A208-S210 PolarHBondContact O-N 2.87Å; A208-D214 HydrophobicContact CB-CB 3.72Å
209	E	92.2	Very high	95.1	Very high	169 Å²	169	52 Å²	52	79%	0.79	27%	0.268	S	S	*	.	S	Bend	trans	-71.1	-27.9	179.5	-45.5	176.5	142.3	0	0	111.5	Q213	E209-Q213 VanDerWaalsContact CG-OE1 3.25Å; E209-Q213 PolarHBondContact OE2-NE2 2.98Å; E209-Q213 PolarHBondContact OE2-OE1 3.06Å
210	S	95.9	Very high	95.1	Very high	48 Å²	48	55.3 Å²	55.3	34%	0.336	28%	0.282	S	S	.	.			trans	-154.7	160.4	175.6	61.5	0	0	0	0	112.1	A208 E212 Q213 D214	A208-S210 VanDerWaalsContact C-N 3.27Å; A208-S210 PolarHBondContact O-N 2.87Å; S210-E212 VanDerWaalsContact C-N 3.31Å; S210-E212 PolarHBondContact O-N 2.92Å; S210-Q213 PolarHBondContact O-N 2.75Å; S210-Q213 VanDerWaalsContact OG-CB 3.26Å; S210-Q213 WeakPolarHBondContact OG-CB 3.49Å; S210-Q213 PolarHBondContact OG-N 3.24Å; S210-D214 PolarHBondContact O-N 2.75Å; S210-D214 VanDerWaalsContact O-N 3.08Å
211	Y	96.1	Very high	95.1	Very high	47 Å²	47	56.4 Å²	56.4	18%	0.184	29%	0.286	C	S	.	.	H	α-helix	trans	-61.3	-40.3	174.6	172.2	-105.2	0	0	0	111.9	Q213 D214 L215 F243 D246	Y211-Q213 VanDerWaalsContact C-N 3.35Å; Y211-Q213 PolarHBondContact O-N 3.31Å; Y211-D214 PolarHBondContact O-N 2.95Å; Y211-L215 WeakPolarHBondContact O-CB 3.23Å; Y211-L215 PolarHBondContact O-N 3.42Å; Y211-F243 HydrophobicContact CE2-CD2 4.15Å; Y211-D246 HydrophobicContact CE1-CB 4.43Å; Y211-D246 VanDerWaalsContact CE1-OD2 3.27Å; Y211-D246 WeakPolarHBondContact CE1-OD2 3.39Å; Y211-D246 PolarHBondContact OH-OD2 3.41Å
212	E	96.6	Very high	95.1	Very high	135 Å²	135	54.7 Å²	54.7	63%	0.631	28%	0.281	S	S	*	.	H	α-helix	trans	-65	-38.7	180	-66.4	71	-158.1	0	0	111.9	S210 L215 Q216	S210-E212 VanDerWaalsContact C-N 3.31Å; S210-E212 PolarHBondContact O-N 2.92Å; E212-L215 PolarHBondContact O-N 3.13Å; E212-Q216 PolarHBondContact O-N 2.97Å; E212-Q216 VanDerWaalsContact O-N 3.1Å
213	Q	95.4	Very high	95.2	Very high	61 Å²	61	59.1 Å²	59.1	29%	0.285	30%	0.304	S	S	.	.	H	α-helix	trans	-70.5	-41.7	176.1	-173.6	-174.2	39.2	0	0	111.7	E209 S210 Y211 L215 Q216 H217	E209-Q213 VanDerWaalsContact CG-OE1 3.25Å; E209-Q213 PolarHBondContact OE2-NE2 2.98Å; E209-Q213 PolarHBondContact OE2-OE1 3.06Å; S210-Q213 PolarHBondContact O-N 2.75Å; S210-Q213 VanDerWaalsContact OG-CB 3.26Å; S210-Q213 WeakPolarHBondContact OG-CB 3.49Å; S210-Q213 PolarHBondContact OG-N 3.24Å; Y211-Q213 VanDerWaalsContact C-N 3.35Å; Y211-Q213 PolarHBondContact O-N 3.31Å; Q213-L215 VanDerWaalsContact C-N 3.25Å; Q213-L215 PolarHBondContact O-N 3.03Å; Q213-Q216 WeakPolarHBondContact O-CB 3Å; Q213-Q216 PolarHBondContact O-N 2.94Å; Q213-Q216 VanDerWaalsContact O-N 3.11Å; Q213-H217 PolarHBondContact O-CD2 2.92Å; Q213-H217 PolarHBondContact O-N 3.05Å
214	D	96.9	Very high	95.4	Very high	18 Å²	18	56.3 Å²	56.3	10%	0.096	29%	0.29	C	S	.	.	H	α-helix	trans	-60.4	-38.2	174.5	-169.2	40.6	0	0	0	111.6	G204 H205 A208 S210 Y211 Q216 H217 L218	G204-D214 WeakPolarHBondContact CA-OD2 3.16Å; H205-D214 WeakPolarHBondContact CB-OD1 3.2Å; H205-D214 PolarHBondContact N-OD2 3.41Å; A208-D214 HydrophobicContact CB-CB 3.72Å; S210-D214 PolarHBondContact O-N 2.75Å; S210-D214 VanDerWaalsContact O-N 3.08Å; Y211-D214 PolarHBondContact O-N 2.95Å; D214-Q216 VanDerWaalsContact C-N 3.35Å; D214-Q216 PolarHBondContact O-N 3.11Å; D214-H217 PolarHBondContact O-N 2.81Å; D214-L218 PolarHBondContact O-N 3.24Å
215	L	97.3	Very high	95.6	Very high	12 Å²	12	57 Å²	57	6%	0.063	30%	0.296	C	S	.	.	H	α-helix	trans	-63.9	-39.1	174.6	-171.7	63.5	0	0	0	112.2	Y211 E212 Q213 L218 K219 F243 D246 C247 V250	Y211-L215 WeakPolarHBondContact O-CB 3.23Å; Y211-L215 PolarHBondContact O-N 3.42Å; E212-L215 PolarHBondContact O-N 3.13Å; Q213-L215 VanDerWaalsContact C-N 3.25Å; Q213-L215 PolarHBondContact O-N 3.03Å; L215-L218 WeakPolarHBondContact O-CB 3.25Å; L215-L218 PolarHBondContact O-N 3.45Å; L215-K219 PolarHBondContact O-N 3.42Å; L215-F243 HydrophobicContact CD1-CE2 4.3Å; L215-D246 HydrophobicContact CD2-CB 3.9Å; L215-C247 HydrophobicContact CD1-CB 4.4Å; L215-C247 VanDerWaalsContact CD1-SG 3.51Å; L215-V250 HydrophobicContact CD1-CG2 4.23Å; L215-V250 HydrophobicContact CD2-CG1 3.63Å; L215-V250 HydrophobicContact CD2-CG2 4.07Å; L215-V250 HydrophobicContact CG-CG1 4.12Å; L215-V250 HydrophobicContact CG-CG2 3.88Å
216	Q	97.4	Very high	95.9	Very high	83 Å²	83	55.8 Å²	55.8	39%	0.388	29%	0.292	S	S	.	.	H	α-helix	trans	-66.8	-40.5	174.9	-174.6	56.2	47.5	0	0	111.8	E212 Q213 D214 L218 K219 E220	E212-Q216 PolarHBondContact O-N 2.97Å; E212-Q216 VanDerWaalsContact O-N 3.1Å; Q213-Q216 WeakPolarHBondContact O-CB 3Å; Q213-Q216 PolarHBondContact O-N 2.94Å; Q213-Q216 VanDerWaalsContact O-N 3.11Å; D214-Q216 VanDerWaalsContact C-N 3.35Å; D214-Q216 PolarHBondContact O-N 3.11Å; Q216-L218 VanDerWaalsContact C-N 3.34Å; Q216-L218 PolarHBondContact O-N 2.94Å; Q216-K219 WeakPolarHBondContact O-CB 3.49Å; Q216-K219 PolarHBondContact O-N 3.47Å; Q216-E220 WeakPolarHBondContact O-CG 2.98Å; Q216-E220 PolarHBondContact O-N 2.72Å
217	H	96.8	Very high	96.4	Very high	77 Å²	77	53.9 Å²	53.9	36%	0.356	28%	0.278	S	S	.	.	H	α-helix	trans	-66.9	-34.2	173.4	-68.1	-47.3	0	0	0	112.7	Q213 D214 K219 E220 K221	Q213-H217 PolarHBondContact O-CD2 2.92Å; Q213-H217 PolarHBondContact O-N 3.05Å; D214-H217 PolarHBondContact O-N 2.81Å; H217-K219 VanDerWaalsContact C-N 3.33Å; H217-E220 IonicContact CE1-OE2 3.34Å; H217-E220 IonicContact ND1-OE2 3.52Å; H217-E220 PolarHBondContact ND1-OE2 3.23Å; H217-E220 PolarHBondContact O-N 2.73Å; H217-K221 WeakPolarHBondContact O-CG 3.46Å; H217-K221 PolarHBondContact O-N 3.06Å
218	L	98.3	Very high	96.9	Very high	4 Å²	4	49.4 Å²	49.4	2%	0.021	26%	0.257	C	S	.	.	H	α-helix	trans	-60.9	-44.9	169.7	179.8	61.2	0	0	0	111.3	V198 D214 L215 Q216 E220 K221 V222 V229 F243 I252	V198-L218 HydrophobicContact CG2-CD1 4.13Å; D214-L218 PolarHBondContact O-N 3.24Å; L215-L218 WeakPolarHBondContact O-CB 3.25Å; L215-L218 PolarHBondContact O-N 3.45Å; Q216-L218 VanDerWaalsContact C-N 3.34Å; Q216-L218 PolarHBondContact O-N 2.94Å; L218-E220 VanDerWaalsContact C-N 3.33Å; L218-E220 PolarHBondContact O-N 3.21Å; L218-K221 WeakPolarHBondContact O-CB 3.24Å; L218-K221 PolarHBondContact O-N 3.38Å; L218-V222 WeakPolarHBondContact O-CG2 3.42Å; L218-V222 PolarHBondContact O-N 2.93Å; L218-V229 HydrophobicContact CD1-CG1 4.21Å; L218-V229 HydrophobicContact CD1-CG2 4.09Å; L218-F243 HydrophobicContact CD2-CE2 4.16Å; L218-F243 HydrophobicContact CD2-CZ 3.6Å; L218-I252 HydrophobicContact CB-CD1 4.47Å; L218-I252 HydrophobicContact CD2-CD1 4.06Å; L218-I252 HydrophobicContact CG-CD1 3.92Å
219	K	98.3	Very high	97.3	Very high	41 Å²	41	48 Å²	48	18%	0.178	25%	0.245	C	C	.	.	H	α-helix	trans	-58.9	-44.1	174.5	173.4	165.3	178.5	43.7	0	111.9	L215 Q216 H217 K221 V222 D223 V250 I252	L215-K219 PolarHBondContact O-N 3.42Å; Q216-K219 WeakPolarHBondContact O-CB 3.49Å; Q216-K219 PolarHBondContact O-N 3.47Å; H217-K219 VanDerWaalsContact C-N 3.33Å; K219-K221 VanDerWaalsContact C-N 3.33Å; K219-K221 PolarHBondContact O-N 2.93Å; K219-V222 PolarHBondContact O-N 2.87Å; K219-V222 VanDerWaalsContact O-N 3.13Å; K219-D223 WeakPolarHBondContact CE-OD2 3.27Å; K219-D223 WeakPolarHBondContact CG-OD2 3.25Å; K219-D223 VanDerWaalsContact NZ-CG 3.28Å; K219-D223 IonicContact NZ-OD1 3.83Å; K219-D223 PolarHBondContact NZ-OD1 3.48Å; K219-D223 IonicContact NZ-OD2 2.9Å; K219-D223 PolarHBondContact NZ-OD2 3.11Å; K219-D223 WeakPolarHBondContact O-CB 3.46Å; K219-D223 VanDerWaalsContact O-CG 3.28Å; K219-D223 PolarHBondContact O-N 2.84Å; K219-V250 HydrophobicContact CD-CB 4.46Å; K219-V250 WeakPolarHBondContact CD-O 3.35Å; K219-V250 WeakPolarHBondContact CE-O 3.3Å; K219-I252 HydrophobicContact CB-CD1 4.18Å; K219-I252 HydrophobicContact CB-CG1 4.12Å; K219-I252 HydrophobicContact CG-CG1 4.49Å
220	E	97.9	Very high	97.6	Very high	81 Å²	81	40 Å²	40	38%	0.379	21%	0.208	S	C	.	.	H	α-helix	trans	-59.9	-40.7	176.7	-71.6	167.1	-177.5	0	0	112.7	Q216 H217 L218 V222 A224	Q216-E220 WeakPolarHBondContact O-CG 2.98Å; Q216-E220 PolarHBondContact O-N 2.72Å; H217-E220 IonicContact CE1-OE2 3.34Å; H217-E220 IonicContact ND1-OE2 3.52Å; H217-E220 PolarHBondContact ND1-OE2 3.23Å; H217-E220 PolarHBondContact O-N 2.73Å; L218-E220 VanDerWaalsContact C-N 3.33Å; L218-E220 PolarHBondContact O-N 3.21Å; E220-V222 VanDerWaalsContact C-N 3.35Å; E220-A224 VanDerWaalsContact O-CB 3.29Å; E220-A224 WeakPolarHBondContact O-CB 3.19Å; E220-A224 PolarHBondContact O-N 2.95Å
221	K	97.9	Very high	97.7	Very high	24 Å²	24	37.7 Å²	37.7	10%	0.104	19%	0.192	C	C	.	.	H	α-helix	trans	-61.8	-42.1	173.6	-72.8	178.7	-64.6	-177	0	112	A179 V180 V198 A199 H217 L218 K219	A179-K221 HydrophobicContact CB-CD 3.98Å; V180-K221 HydrophobicContact CB-CG 3.9Å; V198-K221 HydrophobicContact CB-CD 4.42Å; V198-K221 HydrophobicContact CG1-CB 4.31Å; V198-K221 HydrophobicContact CG2-CB 4.27Å; A199-K221 PolarHBondContact O-NZ 2.93Å; H217-K221 WeakPolarHBondContact O-CG 3.46Å; H217-K221 PolarHBondContact O-N 3.06Å; L218-K221 WeakPolarHBondContact O-CB 3.24Å; L218-K221 PolarHBondContact O-N 3.38Å; K219-K221 VanDerWaalsContact C-N 3.33Å; K219-K221 PolarHBondContact O-N 2.93Å
222	V	98.4	Very high	97.7	Very high	15 Å²	15	37.8 Å²	37.8	9%	0.091	19%	0.194	C	C	.	.	H	α-helix	trans	-67.6	-50	178.4	173.5	0	0	0	0	110.8	L218 K219 E220 A224 G225 A226 V229 I252 C254	L218-V222 WeakPolarHBondContact O-CG2 3.42Å; L218-V222 PolarHBondContact O-N 2.93Å; K219-V222 PolarHBondContact O-N 2.87Å; K219-V222 VanDerWaalsContact O-N 3.13Å; E220-V222 VanDerWaalsContact C-N 3.35Å; V222-A224 PolarHBondContact O-N 3.44Å; V222-G225 PolarHBondContact O-N 3.48Å; V222-A226 PolarHBondContact O-N 3.15Å; V222-V229 HydrophobicContact CG2-CG2 4.04Å; V222-I252 HydrophobicContact CG1-CG2 4.4Å; V222-I252 HydrophobicContact CG2-CG2 4.22Å; V222-C254 HydrophobicContact CG1-CB 4.49Å
223	D	98.2	Very high	97.5	Very high	102 Å²	102	31.7 Å²	31.7	55%	0.545	17%	0.166	S	C	.	.	H	α-helix	trans	-62.2	-27.5	179.8	-68.3	-13.2	0	0	0	112.1	K219 G225	K219-D223 WeakPolarHBondContact CE-OD2 3.27Å; K219-D223 WeakPolarHBondContact CG-OD2 3.25Å; K219-D223 VanDerWaalsContact NZ-CG 3.28Å; K219-D223 IonicContact NZ-OD1 3.83Å; K219-D223 PolarHBondContact NZ-OD1 3.48Å; K219-D223 IonicContact NZ-OD2 2.9Å; K219-D223 PolarHBondContact NZ-OD2 3.11Å; K219-D223 WeakPolarHBondContact O-CB 3.46Å; K219-D223 VanDerWaalsContact O-CG 3.28Å; K219-D223 PolarHBondContact O-N 2.84Å; D223-G225 PolarHBondContact O-N 2.89Å
224	A	98	Very high	97.5	Very high	26 Å²	26	29.2 Å²	29.2	22%	0.215	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-12.4	172.8	0	0	0	0	0	114.1	V180 V183 K184 E220 V222	V180-A224 HydrophobicContact CG2-CB 3.68Å; V183-A224 HydrophobicContact CB-CB 4.38Å; V183-A224 HydrophobicContact CG1-CB 3.91Å; K184-A224 HydrophobicContact CG-CB 3.98Å; E220-A224 VanDerWaalsContact O-CB 3.29Å; E220-A224 WeakPolarHBondContact O-CB 3.19Å; E220-A224 PolarHBondContact O-N 2.95Å; V222-A224 PolarHBondContact O-N 3.44Å
225	G	97.6	Very high	97.4	Very high	24 Å²	24	29.4 Å²	29.4	25%	0.247	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	122.1	26.7	172.3	0	0	0	0	0	115.4	R187 V222 D223	R187-G225 VanDerWaalsContact CZ-O 3.29Å; R187-G225 PolarHBondContact NE-O 3.46Å; R187-G225 PolarHBondContact NH2-O 3.34Å; V222-G225 PolarHBondContact O-N 3.48Å; D223-G225 PolarHBondContact O-N 2.89Å
226	A	98.3	Very high	97.3	Very high	9 Å²	9	34.5 Å²	34.5	7%	0.074	17%	0.172	C	C	.	.			trans	-76.6	140.8	169.5	0	0	0	0	0	111	V198 V222	V198-A226 HydrophobicContact CB-CB 4.46Å; V198-A226 HydrophobicContact CG1-CB 3.78Å; V198-A226 HydrophobicContact CG2-CB 3.91Å; V222-A226 PolarHBondContact O-N 3.15Å
227	D	98.3	Very high	97.2	Very high	29 Å²	29	31.1 Å²	31.1	16%	0.155	16%	0.159	C	C	.	.			trans	-89.7	-28.5	-176.4	-61.1	-77.2	0	0	0	112.9	R50 R187 D195 I196 C254 P255	R50-D227 HydrophobicContact CB-CB 4.2Å; R50-D227 WeakPolarHBondContact CD-OD1 3.49Å; R50-D227 IonicContact CZ-OD1 2.68Å; R50-D227 IonicContact NE-OD1 2.69Å; R50-D227 IonicContact NH1-OD1 3.25Å; R50-D227 PolarHBondContact NH1-OD1 3Å; R187-D227 IonicContact CZ-OD2 3.17Å; R187-D227 IonicContact NH2-OD1 3.72Å; R187-D227 IonicContact NH2-OD2 2.86Å; R187-D227 PolarHBondContact NH2-OD2 3.45Å; D195-D227 VanDerWaalsContact CA-OD2 3.28Å; D195-D227 WeakPolarHBondContact CA-OD2 3.12Å; I196-D227 PolarHBondContact N-OD2 3.15Å; I196-D227 PolarHBondContact O-N 2.97Å; D227-C254 WeakPolarHBondContact O-CB 3.17Å; D227-P255 WeakPolarHBondContact O-CD 3.28Å
228	F	98.4	Very high	97.3	Very high	2 Å²	2	31.5 Å²	31.5	1%	0.009	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.4	169.1	175.3	66.3	-81.2	0	0	0	112.8	L49 M53 F94 C197 V198 I230 P255 L257	L49-F228 HydrophobicContact CD2-CE1 3.98Å; L49-F228 HydrophobicContact CD2-CZ 3.94Å; M53-F228 HydrophobicContact CE-CD1 4.1Å; M53-F228 HydrophobicContact CE-CD2 3.96Å; M53-F228 HydrophobicContact CE-CE1 3.88Å; M53-F228 HydrophobicContact CE-CE2 3.73Å; M53-F228 HydrophobicContact CE-CG 4.13Å; M53-F228 HydrophobicContact CE-CZ 3.68Å; M53-F228 HydrophobicContact SD-CB 4.38Å; M53-F228 HydrophobicContact SD-CD1 4Å; M53-F228 HydrophobicContact SD-CD2 4.37Å; M53-F228 HydrophobicContact SD-CE1 4.32Å; M53-F228 HydrophobicContact SD-CG 4.02Å; F94-F228 HydrophobicContact CZ-CE2 4.13Å; F94-F228 HydrophobicContact CZ-CZ 4.44Å; C197-F228 VanDerWaalsContact CA-O 3.25Å; C197-F228 WeakPolarHBondContact CA-O 3.1Å; C197-F228 HydrophobicContact CB-CD1 3.86Å; C197-F228 HydrophobicContact CB-CD2 3.67Å; C197-F228 HydrophobicContact CB-CE1 3.6Å; C197-F228 HydrophobicContact CB-CE2 3.39Å; C197-F228 HydrophobicContact CB-CG 3.91Å; C197-F228 HydrophobicContact CB-CZ 3.36Å; C197-F228 WeakPolarHBondContact CB-O 3.5Å; V198-F228 PolarHBondContact N-O 3.36Å; F228-I230 HydrophobicContact CD2-CG1 4.17Å; F228-I230 HydrophobicContact CE2-CD1 3.96Å; F228-I230 HydrophobicContact CE2-CG1 3.84Å; F228-P255 WeakPolarHBondContact CA-O 3.38Å; F228-P255 HydrophobicContact CB-CB 4.09Å; F228-P255 HydrophobicContact CB-CG 4.39Å; F228-P255 WeakPolarHBondContact CB-O 3.37Å; F228-L257 HydrophobicContact CD2-CD1 3.91Å; F228-L257 HydrophobicContact CD2-CG 4.43Å; F228-L257 HydrophobicContact CE2-CD1 4Å
229	V	98.6	Very high	97.2	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	137.2	-179.7	-179	0	0	0	0	110.3	V198 L218 V222 P255 I256 L257	V198-V229 HydrophobicContact CG2-CG2 4.01Å; V198-V229 WeakPolarHBondContact O-CA 3.21Å; L218-V229 HydrophobicContact CD1-CG1 4.21Å; L218-V229 HydrophobicContact CD1-CG2 4.09Å; V222-V229 HydrophobicContact CG2-CG2 4.04Å; V229-P255 PolarHBondContact N-O 3.12Å; V229-I256 HydrophobicContact CB-CB 4.46Å; V229-I256 HydrophobicContact CB-CG1 4.1Å; V229-I256 HydrophobicContact CB-CG2 4.33Å; V229-I256 HydrophobicContact CG1-CG2 4.39Å; V229-I256 HydrophobicContact CG2-CG1 4.36Å; V229-I256 CarbonylContact O-C 3.5Å; V229-I256 WeakPolarHBondContact O-CA 3.3Å; V229-L257 PolarHBondContact O-N 3.3Å
230	I	98.6	Very high	97.2	Very high	2 Å²	2	30.7 Å²	30.7	1%	0.01	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	127.4	165.7	-57.7	176.1	0	0	0	107.5	F94 D96 M158 V198 A199 G200 F228 L257 H323	F94-I230 HydrophobicContact CE2-CD1 4.3Å; F94-I230 HydrophobicContact CZ-CD1 4.31Å; D96-I230 WeakPolarHBondContact OD2-CD1 3.5Å; M158-I230 HydrophobicContact CE-CB 3.98Å; M158-I230 HydrophobicContact CE-CD1 4.44Å; V198-I230 PolarHBondContact O-N 3.28Å; A199-I230 WeakPolarHBondContact CA-O 3.22Å; G200-I230 PolarHBondContact N-O 3.46Å; F228-I230 HydrophobicContact CD2-CG1 4.17Å; F228-I230 HydrophobicContact CE2-CD1 3.96Å; F228-I230 HydrophobicContact CE2-CG1 3.84Å; I230-L257 HydrophobicContact CG1-CD1 4.22Å; I230-H323 HydrophobicContact CG2-CB 4.19Å
231	T	98.2	Very high	97.2	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	148.4	-179.1	74.3	0	0	0	0	111.7	G200 P202 F240 F243 I256 L257 P258 G259 Y325	G200-T231 CarbonylContact O-C 3.48Å; G200-T231 VanDerWaalsContact O-CA 3.23Å; G200-T231 WeakPolarHBondContact O-CA 3.34Å; P202-T231 HydrophobicContact CG-CG2 4.09Å; T231-F240 HydrophobicContact CG2-CD2 4.03Å; T231-F240 HydrophobicContact CG2-CE2 3.63Å; T231-F243 HydrophobicContact CG2-CD1 4.12Å; T231-F243 HydrophobicContact CG2-CE1 3.65Å; T231-I256 HydrophobicContact CG2-CG2 3.72Å; T231-L257 PolarHBondContact N-O 3.25Å; T231-L257 PolarHBondContact OG1-O 3.35Å; T231-P258 WeakPolarHBondContact OG1-CA 3.2Å; T231-G259 WeakPolarHBondContact O-CA 3.48Å; T231-G259 PolarHBondContact O-N 2.9Å; T231-G259 PolarHBondContact OG1-N 3.1Å; T231-Y325 PolarHBondContact O-OH 3.33Å
232	Q	95.4	Very high	97.2	Very high	48 Å²	48	32.9 Å²	32.9	22%	0.224	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-52	154.8	158.7	-175.3	60.4	-73.8	0	0	110.6	G200 Y201 L278	G200-Q232 PolarHBondContact O-N 2.74Å; Y201-Q232 HydrophobicContact CD1-CB 3.79Å; Y201-Q232 HydrophobicContact CD1-CG 4.15Å; Y201-Q232 HydrophobicContact CE1-CB 4.15Å; Y201-Q232 HydrophobicContact CE1-CG 4.38Å; Q232-L278 HydrophobicContact CG-CD1 4.34Å
233	L	94.3	Very high	97.2	Very high	7 Å²	7	32.3 Å²	32.3	4%	0.037	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59	155.5	176.9	68.8	103.2	0	0	0	113.7	F235 G259 F261 L272 L278 Y325	L233-F235 HydrophobicContact CD1-CE2 4.22Å; L233-F235 HydrophobicContact CD1-CZ 4.12Å; L233-G259 WeakPolarHBondContact CA-O 3.39Å; L233-F261 HydrophobicContact CB-CB 4.22Å; L233-L272 HydrophobicContact CD1-CD2 3.73Å; L233-L272 HydrophobicContact CD2-CD1 3.77Å; L233-L272 HydrophobicContact CD2-CD2 3.43Å; L233-L272 VanDerWaalsContact CD2-CD2 3.43Å; L233-L272 HydrophobicContact CD2-CG 3.66Å; L233-L272 HydrophobicContact CG-CD2 4.22Å; L233-L278 HydrophobicContact CD1-CD1 3.51Å; L233-L278 HydrophobicContact CG-CD1 3.84Å; L233-L278 WeakPolarHBondContact O-CD1 3.44Å; L233-Y325 HydrophobicContact CB-CD2 4.17Å; L233-Y325 HydrophobicContact CB-CE2 3.87Å
234	F	95.3	Very high	97.2	Very high	10 Å²	10	27.8 Å²	27.8	4%	0.044	14%	0.144	C	C	.	.			trans	-148.9	163.1	175.2	54.3	-90.4	0	0	0	109.7	P202 R236 T239 F240 P258 I260 M309 L313	P202-F234 HydrophobicContact CG-CD1 4.13Å; F234-R236 WeakPolarHBondContact CD2-O 3.48Å; F234-T239 HydrophobicContact CB-CG2 4.47Å; F234-F240 HydrophobicContact CD1-CB 4.15Å; F234-F240 HydrophobicContact CD1-CD2 4.37Å; F234-F240 HydrophobicContact CD2-CB 4.15Å; F234-F240 HydrophobicContact CE1-CB 3.7Å; F234-F240 AromaticContact CE1-CD2 3.6Å; F234-F240 HydrophobicContact CE1-CD2 3.6Å; F234-F240 AromaticContact CE1-CG 3.89Å; F234-F240 HydrophobicContact CE1-CG 3.89Å; F234-F240 HydrophobicContact CE2-CB 3.69Å; F234-F240 HydrophobicContact CE2-CG 4.48Å; F234-F240 HydrophobicContact CG-CB 4.35Å; F234-F240 HydrophobicContact CZ-CB 3.43Å; F234-F240 VanDerWaalsContact CZ-CB 3.43Å; F234-F240 AromaticContact CZ-CD2 3.94Å; F234-F240 HydrophobicContact CZ-CD2 3.94Å; F234-F240 AromaticContact CZ-CG 3.76Å; F234-F240 HydrophobicContact CZ-CG 3.76Å; F234-P258 HydrophobicContact CE1-CB 3.61Å; F234-P258 HydrophobicContact CZ-CB 3.47Å; F234-P258 VanDerWaalsContact CZ-CB 3.47Å; F234-I260 HydrophobicContact CE2-CD1 4.46Å; F234-I260 HydrophobicContact CZ-CD1 3.95Å; F234-M309 HydrophobicContact CD2-CE 4.49Å; F234-M309 HydrophobicContact CD2-SD 3.89Å; F234-M309 HydrophobicContact CE2-CE 4.19Å; F234-M309 HydrophobicContact CE2-CG 4.34Å; F234-M309 HydrophobicContact CE2-SD 3.74Å; F234-L313 HydrophobicContact CE2-CD1 4.03Å; F234-L313 HydrophobicContact CZ-CD1 3.83Å; F234-L313 HydrophobicContact CZ-CD2 4.47Å
235	F	93.5	Very high	97.2	Very high	22 Å²	22	30 Å²	30	10%	0.096	15%	0.152	C	C	.	.	S	Bend	trans	-107	-11.1	-175.8	-66.1	-71.2	0	0	0	114.5	L233 L269 V273 V280 P281 I284 Q305	L233-F235 HydrophobicContact CD1-CE2 4.22Å; L233-F235 HydrophobicContact CD1-CZ 4.12Å; F235-L269 HydrophobicContact CE1-CD1 4.01Å; F235-L269 HydrophobicContact CZ-CD1 4.02Å; F235-V273 HydrophobicContact CZ-CG2 4.4Å; F235-V280 HydrophobicContact CE2-CG2 4.33Å; F235-V280 HydrophobicContact CZ-CG2 4.13Å; F235-P281 HydrophobicContact CB-CG 3.59Å; F235-P281 VanDerWaalsContact CD2-CD 3.44Å; F235-P281 HydrophobicContact CD2-CG 4.25Å; F235-P281 HydrophobicContact CG-CG 4.11Å; F235-I284 HydrophobicContact CB-CD1 3.89Å; F235-I284 HydrophobicContact CD1-CD1 3.66Å; F235-I284 HydrophobicContact CE1-CD1 4.5Å; F235-I284 HydrophobicContact CG-CD1 4.01Å; F235-Q305 PolarHBondContact O-NE2 3.25Å; F235-Q305 VanDerWaalsContact O-NE2 3.16Å
236	R	94.9	Very high	97.3	Very high	118 Å²	118	30.8 Å²	30.8	45%	0.445	15%	0.151	S	C	.	.			trans	-135.7	136.1	-178.7	-55.6	-174.6	-91.6	136.3	-10.7	111	F234 D238 T239	F234-R236 WeakPolarHBondContact CD2-O 3.48Å; R236-D238 VanDerWaalsContact C-N 3.32Å; R236-D238 WeakPolarHBondContact CB-OD1 3.34Å; R236-D238 IonicContact NH1-OD1 3.98Å; R236-D238 IonicContact NH1-OD2 4Å; R236-D238 PolarHBondContact NH1-OD2 3.36Å; R236-D238 PolarHBondContact O-N 3.4Å; R236-T239 WeakPolarHBondContact O-CB 3.18Å; R236-T239 PolarHBondContact O-N 3.08Å
237	A	97	Very high	97.3	Very high	12 Å²	12	30.3 Å²	30.3	10%	0.099	15%	0.147	C	C	.	.	H	α-helix	trans	-65.6	-32.9	-175.3	0	0	0	0	0	113.3	T239 F240 L241 M309 V312 L313	A237-T239 VanDerWaalsContact C-N 3.29Å; A237-T239 PolarHBondContact O-N 3.44Å; A237-F240 PolarHBondContact O-N 2.87Å; A237-L241 WeakPolarHBondContact O-CG 3.31Å; A237-L241 PolarHBondContact O-N 3.23Å; A237-M309 HydrophobicContact CB-CG 4.13Å; A237-V312 HydrophobicContact CB-CB 4.02Å; A237-V312 HydrophobicContact CB-CG1 3.66Å; A237-L313 HydrophobicContact CB-CD2 3.96Å; A237-L313 HydrophobicContact CB-CG 4.09Å
238	D	97	Very high	97.3	Very high	86 Å²	86	33.5 Å²	33.5	46%	0.46	16%	0.157	S	C	.	.	H	α-helix	trans	-58	-38.7	175.8	60.4	-29.7	0	0	0	112.3	R236 F240 L241 K242	R236-D238 VanDerWaalsContact C-N 3.32Å; R236-D238 WeakPolarHBondContact CB-OD1 3.34Å; R236-D238 IonicContact NH1-OD1 3.98Å; R236-D238 IonicContact NH1-OD2 4Å; R236-D238 PolarHBondContact NH1-OD2 3.36Å; R236-D238 PolarHBondContact O-N 3.4Å; D238-F240 VanDerWaalsContact C-N 3.35Å; D238-F240 PolarHBondContact O-N 3.31Å; D238-L241 PolarHBondContact O-N 3.05Å; D238-K242 WeakPolarHBondContact O-CB 3.3Å; D238-K242 PolarHBondContact O-N 2.83Å
239	T	97.1	Very high	97.3	Very high	28 Å²	28	37.5 Å²	37.5	17%	0.172	19%	0.19	C	C	.	.	H	α-helix	trans	-56.9	-48.3	175.2	-56.6	0	0	0	0	111.3	P202 T203 F234 R236 A237 F243	P202-T239 HydrophobicContact CB-CG2 3.99Å; T203-T239 HydrophobicContact CG2-CG2 3.66Å; F234-T239 HydrophobicContact CB-CG2 4.47Å; R236-T239 WeakPolarHBondContact O-CB 3.18Å; R236-T239 PolarHBondContact O-N 3.08Å; A237-T239 VanDerWaalsContact C-N 3.29Å; A237-T239 PolarHBondContact O-N 3.44Å; T239-F243 WeakPolarHBondContact O-CB 3.45Å; T239-F243 PolarHBondContact O-N 3.41Å; T239-F243 VanDerWaalsContact O-N 3.11Å
240	F	98.3	Very high	97.2	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-70.6	-43	179.9	175.7	-87.5	0	0	0	112.2	T231 F234 A237 D238 K242 F243 L244 I256 P258 L313 V319	T231-F240 HydrophobicContact CG2-CD2 4.03Å; T231-F240 HydrophobicContact CG2-CE2 3.63Å; F234-F240 HydrophobicContact CD1-CB 4.15Å; F234-F240 HydrophobicContact CD1-CD2 4.37Å; F234-F240 HydrophobicContact CD2-CB 4.15Å; F234-F240 HydrophobicContact CE1-CB 3.7Å; F234-F240 AromaticContact CE1-CD2 3.6Å; F234-F240 HydrophobicContact CE1-CD2 3.6Å; F234-F240 AromaticContact CE1-CG 3.89Å; F234-F240 HydrophobicContact CE1-CG 3.89Å; F234-F240 HydrophobicContact CE2-CB 3.69Å; F234-F240 HydrophobicContact CE2-CG 4.48Å; F234-F240 HydrophobicContact CG-CB 4.35Å; F234-F240 HydrophobicContact CZ-CB 3.43Å; F234-F240 VanDerWaalsContact CZ-CB 3.43Å; F234-F240 AromaticContact CZ-CD2 3.94Å; F234-F240 HydrophobicContact CZ-CD2 3.94Å; F234-F240 AromaticContact CZ-CG 3.76Å; F234-F240 HydrophobicContact CZ-CG 3.76Å; A237-F240 PolarHBondContact O-N 2.87Å; D238-F240 VanDerWaalsContact C-N 3.35Å; D238-F240 PolarHBondContact O-N 3.31Å; F240-K242 VanDerWaalsContact C-N 3.3Å; F240-K242 PolarHBondContact O-N 3.26Å; F240-F243 PolarHBondContact O-N 3.31Å; F240-L244 HydrophobicContact CE1-CB 4.29Å; F240-L244 HydrophobicContact CE1-CD2 4.07Å; F240-L244 WeakPolarHBondContact O-CB 3.43Å; F240-L244 PolarHBondContact O-N 3.21Å; F240-I256 HydrophobicContact CE2-CG2 4.06Å; F240-I256 HydrophobicContact CZ-CG2 4.17Å; F240-P258 HydrophobicContact CD1-CB 4.32Å; F240-P258 HydrophobicContact CD2-CB 3.69Å; F240-P258 HydrophobicContact CE1-CB 4.25Å; F240-P258 HydrophobicContact CE1-CG 4.41Å; F240-P258 VanDerWaalsContact CE2-CA 3.44Å; F240-P258 HydrophobicContact CE2-CB 3.56Å; F240-P258 HydrophobicContact CE2-CG 4.28Å; F240-P258 HydrophobicContact CG-CB 4.06Å; F240-P258 HydrophobicContact CZ-CB 3.87Å; F240-P258 HydrophobicContact CZ-CG 4.11Å; F240-L313 HydrophobicContact CB-CD2 4.16Å; F240-L313 HydrophobicContact CD1-CD2 3.59Å; F240-L313 HydrophobicContact CE1-CD2 4.4Å; F240-L313 HydrophobicContact CG-CD2 4.14Å; F240-V319 HydrophobicContact CD1-CG2 4.25Å; F240-V319 HydrophobicContact CE1-CG2 3.55Å; F240-V319 HydrophobicContact CZ-CG2 4.39Å
241	L	98.3	Very high	97.2	Very high	35 Å²	35	41.5 Å²	41.5	18%	0.183	22%	0.222	C	C	.	.	H	α-helix	trans	-63.2	-38.3	-179.4	-68.9	173.8	0	0	0	111.7	A237 D238 L244 D245 L313	A237-L241 WeakPolarHBondContact O-CG 3.31Å; A237-L241 PolarHBondContact O-N 3.23Å; D238-L241 PolarHBondContact O-N 3.05Å; L241-L244 PolarHBondContact O-N 3.32Å; L241-D245 PolarHBondContact O-N 2.9Å; L241-D245 VanDerWaalsContact O-N 3.09Å; L241-L313 HydrophobicContact CD2-CD2 4.4Å; L241-L313 HydrophobicContact CG-CD2 4.31Å
242	K	98.2	Very high	97.2	Very high	116 Å²	116	41.5 Å²	41.5	50%	0.504	22%	0.222	S	C	.	.	H	α-helix	trans	-62.5	-50.3	171.7	-174.6	-168.3	177.2	-61.9	0	111.2	D238 F240 L244 D245 D246	D238-K242 WeakPolarHBondContact O-CB 3.3Å; D238-K242 PolarHBondContact O-N 2.83Å; F240-K242 VanDerWaalsContact C-N 3.3Å; F240-K242 PolarHBondContact O-N 3.26Å; K242-L244 VanDerWaalsContact C-N 3.26Å; K242-L244 PolarHBondContact O-N 3Å; K242-D245 PolarHBondContact O-N 2.96Å; K242-D245 VanDerWaalsContact O-N 3.13Å; K242-D246 IonicContact NZ-OD1 3.83Å; K242-D246 IonicContact NZ-OD2 2.95Å; K242-D246 PolarHBondContact NZ-OD2 3.36Å; K242-D246 VanDerWaalsContact O-CG 3.24Å; K242-D246 PolarHBondContact O-N 3.28Å
243	F	98.6	Very high	97.2	Very high	3 Å²	3	45.3 Å²	45.3	1%	0.013	25%	0.249	C	C	.	.	H	α-helix	trans	-56.4	-42.3	178.1	170.8	-104.1	0	0	0	112	P202 Y211 L215 L218 T231 T239 F240 D246 C247 I256	P202-F243 HydrophobicContact CB-CB 4.01Å; P202-F243 HydrophobicContact CB-CD1 4.39Å; P202-F243 HydrophobicContact CB-CG 4.08Å; P202-F243 HydrophobicContact CG-CD1 4.31Å; P202-F243 HydrophobicContact CG-CG 4.47Å; Y211-F243 HydrophobicContact CE2-CD2 4.15Å; L215-F243 HydrophobicContact CD1-CE2 4.3Å; L218-F243 HydrophobicContact CD2-CE2 4.16Å; L218-F243 HydrophobicContact CD2-CZ 3.6Å; T231-F243 HydrophobicContact CG2-CD1 4.12Å; T231-F243 HydrophobicContact CG2-CE1 3.65Å; T239-F243 WeakPolarHBondContact O-CB 3.45Å; T239-F243 PolarHBondContact O-N 3.41Å; T239-F243 VanDerWaalsContact O-N 3.11Å; F240-F243 PolarHBondContact O-N 3.31Å; F243-D246 PolarHBondContact O-N 2.95Å; F243-C247 WeakPolarHBondContact CZ-SG 3.5Å; F243-C247 PolarHBondContact O-N 2.96Å; F243-C247 PolarHBondContact O-SG 3.09Å; F243-I256 HydrophobicContact CD1-CG2 4.5Å; F243-I256 HydrophobicContact CE1-CG2 3.96Å
244	L	98.2	Very high	97.3	Very high	6 Å²	6	45.6 Å²	45.6	3%	0.031	25%	0.252	C	S	.	.	H	α-helix	trans	-60.2	-47.6	176.2	-179.6	57.9	0	0	0	111.5	F240 L241 K242 D246 C247 R248 I256 K318	F240-L244 HydrophobicContact CE1-CB 4.29Å; F240-L244 HydrophobicContact CE1-CD2 4.07Å; F240-L244 WeakPolarHBondContact O-CB 3.43Å; F240-L244 PolarHBondContact O-N 3.21Å; L241-L244 PolarHBondContact O-N 3.32Å; K242-L244 VanDerWaalsContact C-N 3.26Å; K242-L244 PolarHBondContact O-N 3Å; L244-D246 VanDerWaalsContact C-N 3.33Å; L244-D246 PolarHBondContact O-N 2.77Å; L244-C247 WeakPolarHBondContact O-CB 3.37Å; L244-C247 PolarHBondContact O-N 3.08Å; L244-R248 WeakPolarHBondContact O-CG 3.41Å; L244-R248 PolarHBondContact O-N 3.25Å; L244-I256 HydrophobicContact CD1-CB 4.11Å; L244-I256 HydrophobicContact CD1-CD1 3.81Å; L244-I256 HydrophobicContact CD1-CG1 4.4Å; L244-K318 HydrophobicContact CD2-CB 3.64Å; L244-K318 HydrophobicContact CD2-CD 4.27Å
245	D	98.3	Very high	97.4	Very high	74 Å²	74	46.2 Å²	46.2	40%	0.396	26%	0.257	S	S	.	.	H	α-helix	trans	-63	-39.8	178.1	-73	-21.9	0	0	0	111.8	L241 K242 R248 A249 K318	L241-D245 PolarHBondContact O-N 2.9Å; L241-D245 VanDerWaalsContact O-N 3.09Å; K242-D245 PolarHBondContact O-N 2.96Å; K242-D245 VanDerWaalsContact O-N 3.13Å; D245-R248 PolarHBondContact O-N 3.2Å; D245-A249 PolarHBondContact O-N 2.83Å; D245-K318 VanDerWaalsContact CG-NZ 3.25Å; D245-K318 IonicContact OD1-NZ 2.81Å; D245-K318 PolarHBondContact OD1-NZ 3.46Å; D245-K318 IonicContact OD2-NZ 2.66Å; D245-K318 PolarHBondContact OD2-NZ 3.02Å
246	D	98.4	Very high	97.6	Very high	39 Å²	39	45.3 Å²	45.3	21%	0.209	25%	0.253	C	S	.	.	H	α-helix	trans	-64.3	-43.9	175	-61.9	-28.5	0	0	0	111.7	Y211 L215 K242 F243 L244 R248 A249 V250	Y211-D246 HydrophobicContact CE1-CB 4.43Å; Y211-D246 VanDerWaalsContact CE1-OD2 3.27Å; Y211-D246 WeakPolarHBondContact CE1-OD2 3.39Å; Y211-D246 PolarHBondContact OH-OD2 3.41Å; L215-D246 HydrophobicContact CD2-CB 3.9Å; K242-D246 IonicContact NZ-OD1 3.83Å; K242-D246 IonicContact NZ-OD2 2.95Å; K242-D246 PolarHBondContact NZ-OD2 3.36Å; K242-D246 VanDerWaalsContact O-CG 3.24Å; K242-D246 PolarHBondContact O-N 3.28Å; F243-D246 PolarHBondContact O-N 2.95Å; L244-D246 VanDerWaalsContact C-N 3.33Å; L244-D246 PolarHBondContact O-N 2.77Å; D246-R248 VanDerWaalsContact C-N 3.31Å; D246-R248 PolarHBondContact O-N 2.98Å; D246-A249 WeakPolarHBondContact O-CB 3.3Å; D246-A249 PolarHBondContact O-N 3.48Å; D246-A249 VanDerWaalsContact O-N 3.13Å; D246-V250 PolarHBondContact O-N 3Å; D246-V250 VanDerWaalsContact O-N 3.14Å
247	C	98.4	Very high	97.8	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-58.1	-42.3	173.9	-72.9	0	0	0	0	112	L215 F243 L244 A249 V250 G251 I252 I256	L215-C247 HydrophobicContact CD1-CB 4.4Å; L215-C247 VanDerWaalsContact CD1-SG 3.51Å; F243-C247 WeakPolarHBondContact CZ-SG 3.5Å; F243-C247 PolarHBondContact O-N 2.96Å; F243-C247 PolarHBondContact O-SG 3.09Å; L244-C247 WeakPolarHBondContact O-CB 3.37Å; L244-C247 PolarHBondContact O-N 3.08Å; C247-A249 VanDerWaalsContact C-N 3.35Å; C247-V250 VanDerWaalsContact O-CG2 3.22Å; C247-V250 WeakPolarHBondContact O-CG2 3.49Å; C247-V250 PolarHBondContact O-N 2.91Å; C247-G251 PolarHBondContact O-N 3.47Å; C247-I252 HydrophobicContact CB-CB 4.25Å; C247-I252 HydrophobicContact CB-CD1 4.12Å; C247-I252 WeakPolarHBondContact O-CB 3.42Å; C247-I252 PolarHBondContact O-N 3.35Å; C247-I256 HydrophobicContact CB-CD1 3.5Å
248	R	98.1	Very high	97.9	Very high	95 Å²	95	39.1 Å²	39.1	36%	0.358	23%	0.227	S	C	.	.	H	α-helix	trans	-65.6	-38.9	175.7	-63.3	-47.6	176.8	-141.9	0.5	111.5	L244 D245 D246 V250 G251 I252 C254	L244-R248 WeakPolarHBondContact O-CG 3.41Å; L244-R248 PolarHBondContact O-N 3.25Å; D245-R248 PolarHBondContact O-N 3.2Å; D246-R248 VanDerWaalsContact C-N 3.31Å; D246-R248 PolarHBondContact O-N 2.98Å; R248-V250 VanDerWaalsContact C-N 3.3Å; R248-V250 PolarHBondContact O-N 3.37Å; R248-G251 PolarHBondContact O-N 2.98Å; R248-I252 WeakPolarHBondContact CD-O 3.09Å; R248-I252 PolarHBondContact NH1-O 3.31Å; R248-C254 PolarHBondContact NH1-O 3.1Å; R248-C254 PolarHBondContact NH2-O 3.38Å
249	A	98.1	Very high	97.9	Very high	86 Å²	86	35 Å²	35	71%	0.711	21%	0.205	S	C	*	.	H	α-helix	trans	-62.7	-33.4	179	0	0	0	0	0	113.3	D245 D246 C247 G251	D245-A249 PolarHBondContact O-N 2.83Å; D246-A249 WeakPolarHBondContact O-CB 3.3Å; D246-A249 PolarHBondContact O-N 3.48Å; D246-A249 VanDerWaalsContact O-N 3.13Å; C247-A249 VanDerWaalsContact C-N 3.35Å; A249-G251 VanDerWaalsContact C-N 3.3Å
250	V	97.7	Very high	98	Very high	48 Å²	48	33.7 Å²	33.7	29%	0.291	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85	-0.3	173.8	-58.8	0	0	0	0	113.7	L215 K219 D246 C247 R248 I252	L215-V250 HydrophobicContact CD1-CG2 4.23Å; L215-V250 HydrophobicContact CD2-CG1 3.63Å; L215-V250 HydrophobicContact CD2-CG2 4.07Å; L215-V250 HydrophobicContact CG-CG1 4.12Å; L215-V250 HydrophobicContact CG-CG2 3.88Å; K219-V250 HydrophobicContact CD-CB 4.46Å; K219-V250 WeakPolarHBondContact CD-O 3.35Å; K219-V250 WeakPolarHBondContact CE-O 3.3Å; D246-V250 PolarHBondContact O-N 3Å; D246-V250 VanDerWaalsContact O-N 3.14Å; C247-V250 VanDerWaalsContact O-CG2 3.22Å; C247-V250 WeakPolarHBondContact O-CG2 3.49Å; C247-V250 PolarHBondContact O-N 2.91Å; R248-V250 VanDerWaalsContact C-N 3.3Å; R248-V250 PolarHBondContact O-N 3.37Å; V250-I252 HydrophobicContact CG2-CD1 4.04Å; V250-I252 HydrophobicContact CG2-CG1 4.12Å
251	G	97.4	Very high	97.8	Very high	38 Å²	38	34 Å²	34	39%	0.392	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	89.7	18	174	0	0	0	0	0	115.5	C247 R248 A249 T253	C247-G251 PolarHBondContact O-N 3.47Å; R248-G251 PolarHBondContact O-N 2.98Å; A249-G251 VanDerWaalsContact C-N 3.3Å; G251-T253 PolarHBondContact O-N 3.41Å
252	I	98.3	Very high	97.6	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.005	19%	0.189	C	C	.	.			trans	-73	121.6	168.4	-64.6	167.6	0	0	0	107.8	L218 K219 V222 C247 R248 V250 I256	L218-I252 HydrophobicContact CB-CD1 4.47Å; L218-I252 HydrophobicContact CD2-CD1 4.06Å; L218-I252 HydrophobicContact CG-CD1 3.92Å; K219-I252 HydrophobicContact CB-CD1 4.18Å; K219-I252 HydrophobicContact CB-CG1 4.12Å; K219-I252 HydrophobicContact CG-CG1 4.49Å; V222-I252 HydrophobicContact CG1-CG2 4.4Å; V222-I252 HydrophobicContact CG2-CG2 4.22Å; C247-I252 HydrophobicContact CB-CB 4.25Å; C247-I252 HydrophobicContact CB-CD1 4.12Å; C247-I252 WeakPolarHBondContact O-CB 3.42Å; C247-I252 PolarHBondContact O-N 3.35Å; R248-I252 WeakPolarHBondContact CD-O 3.09Å; R248-I252 PolarHBondContact NH1-O 3.31Å; V250-I252 HydrophobicContact CG2-CD1 4.04Å; V250-I252 HydrophobicContact CG2-CG1 4.12Å; I252-I256 HydrophobicContact CG2-CD1 4.14Å
253	T	96.1	Very high	97.4	Very high	127 Å²	127	26.9 Å²	26.9	78%	0.779	17%	0.165	S	C	*	.			trans	-111.8	-13.9	-176.5	55.5	0	0	0	0	114	G251	G251-T253 PolarHBondContact O-N 3.41Å
254	C	96.9	Very high	97	Very high	14 Å²	14	26.8 Å²	26.8	10%	0.095	17%	0.165	C	C	.	.	S	Bend	trans	-64.8	161.7	178.4	69.1	0	0	0	0	112.2	V222 D227 R248	V222-C254 HydrophobicContact CG1-CB 4.49Å; D227-C254 WeakPolarHBondContact O-CB 3.17Å; R248-C254 PolarHBondContact NH1-O 3.1Å; R248-C254 PolarHBondContact NH2-O 3.38Å
255	P	97.1	Very high	96.6	Very high	23 Å²	23	26.6 Å²	26.6	15%	0.149	17%	0.165	C	C	.	.			trans	-58.8	142.1	171.8	-22.1	34.3	0	0	0	111.7	M57 D227 F228 V229	M57-P255 HydrophobicContact CE-CG 4.38Å; M57-P255 HydrophobicContact SD-CB 4.21Å; M57-P255 HydrophobicContact SD-CG 3.77Å; D227-P255 WeakPolarHBondContact O-CD 3.28Å; F228-P255 WeakPolarHBondContact CA-O 3.38Å; F228-P255 HydrophobicContact CB-CB 4.09Å; F228-P255 HydrophobicContact CB-CG 4.39Å; F228-P255 WeakPolarHBondContact CB-O 3.37Å; V229-P255 PolarHBondContact N-O 3.12Å
256	I	98.3	Very high	96.2	Very high	3 Å²	3	25.5 Å²	25.5	2%	0.015	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	118.5	176.7	-59.7	171.6	0	0	0	107	V229 T231 F240 F243 L244 C247 I252	V229-I256 HydrophobicContact CB-CB 4.46Å; V229-I256 HydrophobicContact CB-CG1 4.1Å; V229-I256 HydrophobicContact CB-CG2 4.33Å; V229-I256 HydrophobicContact CG1-CG2 4.39Å; V229-I256 HydrophobicContact CG2-CG1 4.36Å; V229-I256 CarbonylContact O-C 3.5Å; V229-I256 WeakPolarHBondContact O-CA 3.3Å; T231-I256 HydrophobicContact CG2-CG2 3.72Å; F240-I256 HydrophobicContact CE2-CG2 4.06Å; F240-I256 HydrophobicContact CZ-CG2 4.17Å; F243-I256 HydrophobicContact CD1-CG2 4.5Å; F243-I256 HydrophobicContact CE1-CG2 3.96Å; L244-I256 HydrophobicContact CD1-CB 4.11Å; L244-I256 HydrophobicContact CD1-CD1 3.81Å; L244-I256 HydrophobicContact CD1-CG1 4.4Å; C247-I256 HydrophobicContact CB-CD1 3.5Å; I252-I256 HydrophobicContact CG2-CD1 4.14Å
257	L	98.2	Very high	95.6	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	125.6	-172.8	-51.3	180	0	0	0	110.5	M53 W63 F94 F228 V229 I230 T231 G259 H323	M53-L257 HydrophobicContact CE-CD1 4.19Å; W63-L257 HydrophobicContact CH2-CD1 3.38Å; W63-L257 HydrophobicContact CH2-CD2 3.18Å; W63-L257 HydrophobicContact CH2-CG 3.88Å; W63-L257 HydrophobicContact CZ2-CD2 3.67Å; W63-L257 HydrophobicContact CZ3-CD1 3.76Å; W63-L257 HydrophobicContact CZ3-CD2 4.01Å; W63-L257 HydrophobicContact CZ3-CG 4.5Å; F94-L257 HydrophobicContact CE1-CD1 4.05Å; F94-L257 HydrophobicContact CZ-CD1 3.86Å; F228-L257 HydrophobicContact CD2-CD1 3.91Å; F228-L257 HydrophobicContact CD2-CG 4.43Å; F228-L257 HydrophobicContact CE2-CD1 4Å; V229-L257 PolarHBondContact O-N 3.3Å; I230-L257 HydrophobicContact CG1-CD1 4.22Å; T231-L257 PolarHBondContact N-O 3.25Å; T231-L257 PolarHBondContact OG1-O 3.35Å; L257-G259 PolarHBondContact O-N 3.28Å; L257-H323 HydrophobicContact CB-CB 4.37Å
258	P	98.4	Very high	94.8	Very high	0 Å²	0	32 Å²	32	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	124.1	174.5	27.1	-32.5	0	0	0	111.2	T231 F234 F240 I260 L313 V319 G321 L322 H323	T231-P258 WeakPolarHBondContact OG1-CA 3.2Å; F234-P258 HydrophobicContact CE1-CB 3.61Å; F234-P258 HydrophobicContact CZ-CB 3.47Å; F234-P258 VanDerWaalsContact CZ-CB 3.47Å; F240-P258 HydrophobicContact CD1-CB 4.32Å; F240-P258 HydrophobicContact CD2-CB 3.69Å; F240-P258 HydrophobicContact CE1-CB 4.25Å; F240-P258 HydrophobicContact CE1-CG 4.41Å; F240-P258 VanDerWaalsContact CE2-CA 3.44Å; F240-P258 HydrophobicContact CE2-CB 3.56Å; F240-P258 HydrophobicContact CE2-CG 4.28Å; F240-P258 HydrophobicContact CG-CB 4.06Å; F240-P258 HydrophobicContact CZ-CB 3.87Å; F240-P258 HydrophobicContact CZ-CG 4.11Å; P258-I260 HydrophobicContact CB-CD1 4.08Å; P258-L313 HydrophobicContact CB-CD1 4.08Å; P258-L313 HydrophobicContact CG-CD1 4.19Å; P258-V319 HydrophobicContact CG-CG1 3.66Å; P258-G321 VanDerWaalsContact CD-O 3.29Å; P258-G321 WeakPolarHBondContact CD-O 3.42Å; P258-L322 HydrophobicContact CG-CD2 3.74Å; P258-H323 PolarHBondContact O-N 3.03Å
259	G	98.1	Very high	94.3	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	116.6	167.6	0	0	0	0	0	111.6	T231 L233 L257 H323	T231-G259 WeakPolarHBondContact O-CA 3.48Å; T231-G259 PolarHBondContact O-N 2.9Å; T231-G259 PolarHBondContact OG1-N 3.1Å; L233-G259 WeakPolarHBondContact CA-O 3.39Å; L257-G259 PolarHBondContact O-N 3.28Å; G259-H323 CarbonylContact C-O 3.6Å; G259-H323 WeakPolarHBondContact CA-O 3.44Å
260	I	97.9	Very high	93.7	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	125.3	-177.1	-50.5	-60.7	0	0	0	109.1	F234 P258 P262 A306 M309 L313 L322 H323 F324 Y325	F234-I260 HydrophobicContact CE2-CD1 4.46Å; F234-I260 HydrophobicContact CZ-CD1 3.95Å; P258-I260 HydrophobicContact CB-CD1 4.08Å; I260-P262 WeakPolarHBondContact O-CD 3.43Å; I260-A306 HydrophobicContact CG2-CB 4.46Å; I260-M309 HydrophobicContact CD1-CE 3.85Å; I260-M309 HydrophobicContact CG2-CE 4.13Å; I260-L313 HydrophobicContact CD1-CD1 3.75Å; I260-L322 HydrophobicContact CG1-CD2 4.36Å; I260-H323 PolarHBondContact N-O 2.89Å; I260-F324 HydrophobicContact CB-CD1 4Å; I260-F324 HydrophobicContact CB-CE1 4.06Å; I260-F324 HydrophobicContact CB-CG 4.47Å; I260-F324 HydrophobicContact CG2-CD1 3.98Å; I260-F324 HydrophobicContact CG2-CE1 3.73Å; I260-F324 HydrophobicContact CG2-CZ 4.46Å; I260-F324 WeakPolarHBondContact O-CA 3.24Å; I260-Y325 WeakPolarHBondContact O-CD2 3.28Å; I260-Y325 PolarHBondContact O-N 3.07Å
261	F	95.3	Very high	92.9	Very high	7 Å²	7	35.1 Å²	35.1	3%	0.031	18%	0.182	C	C	.	.			trans	-112.2	101.9	173.5	172.6	-121.3	0	0	0	110.5	L233 I263 L269 L272 Y325 L327	L233-F261 HydrophobicContact CB-CB 4.22Å; F261-I263 HydrophobicContact CE1-CG1 4.32Å; F261-I263 PolarHBondContact O-N 2.97Å; F261-L269 HydrophobicContact CE1-CD1 4.33Å; F261-L272 HydrophobicContact CB-CD1 4.42Å; F261-L272 HydrophobicContact CD1-CD1 3.69Å; F261-L272 HydrophobicContact CD1-CD2 3.61Å; F261-L272 HydrophobicContact CD1-CG 4.23Å; F261-L272 HydrophobicContact CD2-CD1 3.7Å; F261-L272 HydrophobicContact CE1-CB 4.4Å; F261-L272 HydrophobicContact CE1-CD1 3.78Å; F261-L272 HydrophobicContact CE1-CD2 3.8Å; F261-L272 HydrophobicContact CE1-CG 4.23Å; F261-L272 HydrophobicContact CE2-CD1 3.83Å; F261-L272 HydrophobicContact CG-CD1 3.64Å; F261-L272 HydrophobicContact CG-CD2 4.29Å; F261-L272 HydrophobicContact CZ-CD1 3.85Å; F261-Y325 HydrophobicContact CB-CD2 4.17Å; F261-L327 HydrophobicContact CD2-CD1 4.47Å; F261-L327 HydrophobicContact CE2-CD1 3.46Å; F261-L327 VanDerWaalsContact CE2-CD1 3.46Å; F261-L327 HydrophobicContact CE2-CG 3.95Å; F261-L327 HydrophobicContact CZ-CD1 3.96Å
262	P	94.2	Very high	92	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.168	C	C	.	.			trans	-67.4	122.7	171.2	-18.1	31.9	0	0	0	109.9	I260 Q264 A306 F324 A332	I260-P262 WeakPolarHBondContact O-CD 3.43Å; P262-Q264 WeakPolarHBondContact O-CG 3.23Å; P262-Q264 PolarHBondContact O-N 2.85Å; P262-A306 HydrophobicContact CB-CB 4.44Å; P262-F324 HydrophobicContact CG-CD1 3.83Å; P262-F324 HydrophobicContact CG-CE1 4.26Å; P262-A332 HydrophobicContact CB-CB 4.11Å
263	I	93.3	Very high	91.2	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.178	C	C	.	.			trans	-70.4	122.8	179.2	-55.5	174.3	0	0	0	109.3	F261 L269 I284 I288 I298 G302	F261-I263 HydrophobicContact CE1-CG1 4.32Å; F261-I263 PolarHBondContact O-N 2.97Å; I263-L269 HydrophobicContact CD1-CD1 4.2Å; I263-L269 HydrophobicContact CD1-CD2 4.41Å; I263-L269 HydrophobicContact CG1-CD1 4.32Å; I263-L269 HydrophobicContact CG2-CB 4.32Å; I263-L269 HydrophobicContact CG2-CD2 4.42Å; I263-I284 HydrophobicContact CD1-CG2 4.01Å; I263-I288 HydrophobicContact CD1-CD1 3.9Å; I263-I288 HydrophobicContact CG2-CD1 4.09Å; I263-I298 HydrophobicContact CG2-CG2 3.73Å; I263-G302 WeakPolarHBondContact O-CA 3.15Å
264	Q	89.4	Confident	90.5	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.005	18%	0.177	C	C	.	.			trans	-120	2.2	-174.3	-42.6	-171.5	35.1	0	0	114.9	P262 T326 R329 A332	P262-Q264 WeakPolarHBondContact O-CG 3.23Å; P262-Q264 PolarHBondContact O-N 2.85Å; Q264-T326 PolarHBondContact NE2-O 3.38Å; Q264-R329 VanDerWaalsContact CB-NH1 3.33Å; Q264-R329 PolarHBondContact O-NH1 3.33Å; Q264-R329 VanDerWaalsContact O-NH1 3.08Å; Q264-R329 VanDerWaalsContact OE1-CD 3.31Å; Q264-A332 HydrophobicContact CG-CB 3.84Å
265	G	91.3	Very high	89.4	Confident	3 Å²	3	44.4 Å²	44.4	3%	0.031	21%	0.209	C	C	.	.			trans	167.8	157.8	-177.5	0	0	0	0	0	111.8	L269 D295	G265-L269 PolarHBondContact O-N 3.37Å; G265-D295 WeakPolarHBondContact CA-OD1 3.46Å
266	Y	88.9	Confident	88.5	Confident	50 Å²	50	43.8 Å²	43.8	20%	0.196	21%	0.205	C	C	.	.	H	α-helix	trans	-65.7	-45.1	-174.2	-173.4	-105.3	0	0	0	112.6	S268 L269 R270 I288 E289 K292	Y266-S268 PolarHBondContact O-N 3.24Å; Y266-L269 PolarHBondContact O-N 3.12Å; Y266-R270 HydrophobicContact CD1-CG 4.48Å; Y266-R270 HydrophobicContact CE1-CG 4.16Å; Y266-R270 PolarHBondContact O-N 3.23Å; Y266-R270 VanDerWaalsContact O-N 3.1Å; Y266-I288 HydrophobicContact CD2-CG2 3.63Å; Y266-I288 HydrophobicContact CE2-CG2 4.14Å; Y266-E289 WeakPolarHBondContact CE2-OE2 3.07Å; Y266-E289 PolarHBondContact OH-OE2 3.5Å; Y266-K292 WeakPolarHBondContact CB-O 3.44Å; Y266-K292 HydrophobicContact CD1-CB 4.28Å; Y266-K292 HydrophobicContact CD2-CB 3.65Å; Y266-K292 HydrophobicContact CE1-CB 4.48Å; Y266-K292 HydrophobicContact CE2-CB 3.86Å; Y266-K292 HydrophobicContact CG-CB 3.86Å
267	Q	86.4	Confident	87.8	Confident	147 Å²	147	50.1 Å²	50.1	69%	0.687	23%	0.232	S	C	*	.	H	α-helix	trans	-65.8	-40.2	-178.5	-65.3	-176.5	4.7	0	0	111.9	L269 R270 Q271	Q267-L269 VanDerWaalsContact C-N 3.33Å; Q267-L269 PolarHBondContact O-N 3.32Å; Q267-R270 PolarHBondContact O-N 3.38Å; Q267-Q271 WeakPolarHBondContact O-CB 3.49Å; Q267-Q271 WeakPolarHBondContact O-CG 3.27Å; Q267-Q271 PolarHBondContact O-N 3.23Å
268	S	82.3	Confident	87.2	Confident	28 Å²	28	51.2 Å²	51.2	20%	0.196	24%	0.238	C	C	.	.	H	α-helix	trans	-61.2	-42.9	176.9	-55.9	0	0	0	0	111.4	Y266 Q271 L272	Y266-S268 PolarHBondContact O-N 3.24Å; S268-Q271 PolarHBondContact O-N 3.33Å; S268-L272 VanDerWaalsContact O-CB 3.23Å; S268-L272 WeakPolarHBondContact O-CB 3.4Å; S268-L272 PolarHBondContact O-N 3.05Å
269	L	86.5	Confident	86.6	Confident	9 Å²	9	59.9 Å²	59.9	5%	0.047	28%	0.279	C	S	.	.	H	α-helix	trans	-60.1	-48.1	175.1	-179.7	62	0	0	0	111.4	F235 F261 I263 G265 Y266 Q267 Q271 L272 V273 V280 I288	F235-L269 HydrophobicContact CE1-CD1 4.01Å; F235-L269 HydrophobicContact CZ-CD1 4.02Å; F261-L269 HydrophobicContact CE1-CD1 4.33Å; I263-L269 HydrophobicContact CD1-CD1 4.2Å; I263-L269 HydrophobicContact CD1-CD2 4.41Å; I263-L269 HydrophobicContact CG1-CD1 4.32Å; I263-L269 HydrophobicContact CG2-CB 4.32Å; I263-L269 HydrophobicContact CG2-CD2 4.42Å; G265-L269 PolarHBondContact O-N 3.37Å; Y266-L269 PolarHBondContact O-N 3.12Å; Q267-L269 VanDerWaalsContact C-N 3.33Å; Q267-L269 PolarHBondContact O-N 3.32Å; L269-Q271 PolarHBondContact O-N 3.02Å; L269-L272 PolarHBondContact O-N 3.5Å; L269-V273 HydrophobicContact CD1-CG2 4.22Å; L269-V273 WeakPolarHBondContact O-CB 3.45Å; L269-V273 WeakPolarHBondContact O-CG2 3.48Å; L269-V273 PolarHBondContact O-N 3.32Å; L269-V280 HydrophobicContact CD1-CG2 4.09Å; L269-V280 HydrophobicContact CD2-CG1 4.45Å; L269-V280 HydrophobicContact CD2-CG2 4.48Å; L269-V280 HydrophobicContact CG-CG2 4.26Å; L269-I288 HydrophobicContact CD2-CD1 3.67Å
270	R	85.4	Confident	86.1	Confident	164 Å²	164	61.4 Å²	61.4	62%	0.619	29%	0.288	S	S	*	.	H	α-helix	trans	-62.7	-42.1	179.2	-74.2	-161.9	65.4	176.8	0.7	113.4	Y266 Q267 K274	Y266-R270 HydrophobicContact CD1-CG 4.48Å; Y266-R270 HydrophobicContact CE1-CG 4.16Å; Y266-R270 PolarHBondContact O-N 3.23Å; Y266-R270 VanDerWaalsContact O-N 3.1Å; Q267-R270 PolarHBondContact O-N 3.38Å; R270-K274 PolarHBondContact O-N 2.88Å
271	Q	80.6	Confident	85.8	Confident	123 Å²	123	62.4 Å²	62.4	58%	0.575	30%	0.295	S	S	*	.	H	α-helix	trans	-64.2	-46.1	178.3	-76.4	176.6	-11.5	0	0	111.1	Q267 S268 L269 K274 L275	Q267-Q271 WeakPolarHBondContact O-CB 3.49Å; Q267-Q271 WeakPolarHBondContact O-CG 3.27Å; Q267-Q271 PolarHBondContact O-N 3.23Å; S268-Q271 PolarHBondContact O-N 3.33Å; L269-Q271 PolarHBondContact O-N 3.02Å; Q271-K274 WeakPolarHBondContact O-CB 3.39Å; Q271-K274 PolarHBondContact O-N 2.88Å; Q271-L275 WeakPolarHBondContact O-CG 3.46Å; Q271-L275 PolarHBondContact O-N 3Å
272	L	79.9	Confident	85.7	Confident	19 Å²	19	68.4 Å²	68.4	10%	0.099	32%	0.323	C	S	.	.	H	α-helix	trans	-65.5	-43	-178.1	177.3	136.7	0	0	0	111.8	L233 F261 S268 L269 K274 L275 S276	L233-L272 HydrophobicContact CD1-CD2 3.73Å; L233-L272 HydrophobicContact CD2-CD1 3.77Å; L233-L272 HydrophobicContact CD2-CD2 3.43Å; L233-L272 VanDerWaalsContact CD2-CD2 3.43Å; L233-L272 HydrophobicContact CD2-CG 3.66Å; L233-L272 HydrophobicContact CG-CD2 4.22Å; F261-L272 HydrophobicContact CB-CD1 4.42Å; F261-L272 HydrophobicContact CD1-CD1 3.69Å; F261-L272 HydrophobicContact CD1-CD2 3.61Å; F261-L272 HydrophobicContact CD1-CG 4.23Å; F261-L272 HydrophobicContact CD2-CD1 3.7Å; F261-L272 HydrophobicContact CE1-CB 4.4Å; F261-L272 HydrophobicContact CE1-CD1 3.78Å; F261-L272 HydrophobicContact CE1-CD2 3.8Å; F261-L272 HydrophobicContact CE1-CG 4.23Å; F261-L272 HydrophobicContact CE2-CD1 3.83Å; F261-L272 HydrophobicContact CG-CD1 3.64Å; F261-L272 HydrophobicContact CG-CD2 4.29Å; F261-L272 HydrophobicContact CZ-CD1 3.85Å; S268-L272 VanDerWaalsContact O-CB 3.23Å; S268-L272 WeakPolarHBondContact O-CB 3.4Å; S268-L272 PolarHBondContact O-N 3.05Å; L269-L272 PolarHBondContact O-N 3.5Å; L272-K274 VanDerWaalsContact C-N 3.29Å; L272-K274 PolarHBondContact O-N 3.18Å; L272-L275 PolarHBondContact O-N 2.99Å; L272-L275 VanDerWaalsContact O-N 3.09Å; L272-S276 WeakPolarHBondContact O-CB 3.38Å; L272-S276 PolarHBondContact O-N 3.48Å; L272-S276 PolarHBondContact O-OG 3.1Å
273	V	81.8	Confident	85.6	Confident	34 Å²	34	73.3 Å²	73.3	21%	0.206	35%	0.346	C	S	.	.	H	α-helix	trans	-57.1	-42.6	173.4	159.4	0	0	0	0	112.2	F235 L269 L275 K277 L278 V280	F235-V273 HydrophobicContact CZ-CG2 4.4Å; L269-V273 HydrophobicContact CD1-CG2 4.22Å; L269-V273 WeakPolarHBondContact O-CB 3.45Å; L269-V273 WeakPolarHBondContact O-CG2 3.48Å; L269-V273 PolarHBondContact O-N 3.32Å; V273-L275 VanDerWaalsContact C-N 3.33Å; V273-L275 PolarHBondContact O-N 3.09Å; V273-K277 WeakPolarHBondContact O-CA 3.44Å; V273-K277 PolarHBondContact O-N 2.98Å; V273-L278 WeakPolarHBondContact CG1-O 3.14Å; V273-L278 PolarHBondContact O-N 2.82Å; V273-V280 HydrophobicContact CB-CG2 4.38Å; V273-V280 HydrophobicContact CG1-CG2 4.45Å; V273-V280 HydrophobicContact CG2-CG2 3.19Å
274	K	79.5	Confident	85.6	Confident	175 Å²	175	73.6 Å²	73.6	76%	0.761	35%	0.347	S	S	*	.	H	α-helix	trans	-63.5	-39.8	176.5	-173.3	-177.4	177.8	-174.5	0	111.8	R270 Q271 L272	R270-K274 PolarHBondContact O-N 2.88Å; Q271-K274 WeakPolarHBondContact O-CB 3.39Å; Q271-K274 PolarHBondContact O-N 2.88Å; L272-K274 VanDerWaalsContact C-N 3.29Å; L272-K274 PolarHBondContact O-N 3.18Å
275	L	75.1	Confident	85.7	Confident	146 Å²	146	76.3 Å²	76.3	76%	0.764	36%	0.364	S	S	*	.	H	α-helix	trans	-75	-39.9	-179.6	-69.5	170.4	0	0	0	112.2	Q271 L272 V273 K277	Q271-L275 WeakPolarHBondContact O-CG 3.46Å; Q271-L275 PolarHBondContact O-N 3Å; L272-L275 PolarHBondContact O-N 2.99Å; L272-L275 VanDerWaalsContact O-N 3.09Å; V273-L275 VanDerWaalsContact C-N 3.33Å; V273-L275 PolarHBondContact O-N 3.09Å; L275-K277 VanDerWaalsContact C-N 3.32Å
276	S	78.7	Confident	85.8	Confident	11 Å²	11	82.7 Å²	82.7	8%	0.077	39%	0.391	C	S	.	.	H	α-helix	trans	-82.5	-10.7	-178.3	68	0	0	0	0	113.5	L272 L278	L272-S276 WeakPolarHBondContact O-CB 3.38Å; L272-S276 PolarHBondContact O-N 3.48Å; L272-S276 PolarHBondContact O-OG 3.1Å; S276-L278 PolarHBondContact O-N 3.34Å; S276-L278 WeakPolarHBondContact OG-CB 3.46Å; S276-L278 PolarHBondContact OG-N 3.37Å
277	K	82.6	Confident	86	Confident	135 Å²	135	84.3 Å²	84.3	59%	0.587	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.5	30.9	-172	-56.5	-179.3	-177.3	172.4	0	112.5	P206 V273 L275	P206-K277 HydrophobicContact CB-CB 4.38Å; P206-K277 HydrophobicContact CB-CD 3.66Å; P206-K277 HydrophobicContact CG-CB 3.94Å; P206-K277 HydrophobicContact CG-CD 3.86Å; P206-K277 HydrophobicContact CG-CG 4.39Å; V273-K277 WeakPolarHBondContact O-CA 3.44Å; V273-K277 PolarHBondContact O-N 2.98Å; L275-K277 VanDerWaalsContact C-N 3.32Å
278	L	85.1	Confident	86.3	Confident	24 Å²	24	77.4 Å²	77.4	13%	0.126	37%	0.37	C	S	.	.	P	Polyproline II helix	trans	-100.9	144.8	179.4	-68.9	171.6	0	0	0	110.8	T203 Q232 L233 V273 S276	T203-L278 HydrophobicContact CG2-CD2 4.47Å; T203-L278 WeakPolarHBondContact OG1-CD2 3.16Å; Q232-L278 HydrophobicContact CG-CD1 4.34Å; L233-L278 HydrophobicContact CD1-CD1 3.51Å; L233-L278 HydrophobicContact CG-CD1 3.84Å; L233-L278 WeakPolarHBondContact O-CD1 3.44Å; V273-L278 WeakPolarHBondContact CG1-O 3.14Å; V273-L278 PolarHBondContact O-N 2.82Å; S276-L278 PolarHBondContact O-N 3.34Å; S276-L278 WeakPolarHBondContact OG-CB 3.46Å; S276-L278 PolarHBondContact OG-N 3.37Å
279	E	85.6	Confident	86.8	Confident	181 Å²	181	79.4 Å²	79.4	85%	0.846	38%	0.376	S	S	*	.	P	Polyproline II helix	trans	-85.9	136.3	172	-63.6	-172.9	166.5	0	0	111	P281	E279-P281 WeakPolarHBondContact O-CD 3.49Å
280	V	88.8	Confident	87.3	Confident	33 Å²	33	84 Å²	84	20%	0.2	41%	0.406	C	S	.	.	P	Polyproline II helix	trans	-77.1	126.9	172.4	-174.8	0	0	0	0	108.5	F235 L269 V273 I284	F235-V280 HydrophobicContact CE2-CG2 4.33Å; F235-V280 HydrophobicContact CZ-CG2 4.13Å; L269-V280 HydrophobicContact CD1-CG2 4.09Å; L269-V280 HydrophobicContact CD2-CG1 4.45Å; L269-V280 HydrophobicContact CD2-CG2 4.48Å; L269-V280 HydrophobicContact CG-CG2 4.26Å; V273-V280 HydrophobicContact CB-CG2 4.38Å; V273-V280 HydrophobicContact CG1-CG2 4.45Å; V273-V280 HydrophobicContact CG2-CG2 3.19Å; V280-I284 HydrophobicContact CG1-CB 3.78Å; V280-I284 HydrophobicContact CG1-CG2 3.58Å
281	P	91.8	Very high	87.8	Confident	21 Å²	21	78.5 Å²	78.5	14%	0.136	39%	0.389	C	S	.	.	P	Polyproline II helix	trans	-51.4	142.8	174.6	-27.8	32.8	0	0	0	113.1	F235 E279 E283 I284 T285	F235-P281 HydrophobicContact CB-CG 3.59Å; F235-P281 VanDerWaalsContact CD2-CD 3.44Å; F235-P281 HydrophobicContact CD2-CG 4.25Å; F235-P281 HydrophobicContact CG-CG 4.11Å; E279-P281 WeakPolarHBondContact O-CD 3.49Å; P281-E283 VanDerWaalsContact CB-CD 3.44Å; P281-E283 HydrophobicContact CB-CG 4.06Å; P281-E283 WeakPolarHBondContact CB-OE1 3.22Å; P281-E283 PolarHBondContact O-N 3.04Å; P281-I284 HydrophobicContact CB-CD1 4.45Å; P281-I284 HydrophobicContact CG-CD1 4.18Å; P281-I284 PolarHBondContact O-N 3Å; P281-I284 VanDerWaalsContact O-N 3.1Å; P281-T285 PolarHBondContact O-N 3.46Å; P281-T285 VanDerWaalsContact O-N 3.12Å; P281-T285 PolarHBondContact O-OG1 2.8Å
282	E	92.1	Very high	88.4	Confident	132 Å²	132	76.4 Å²	76.4	62%	0.617	38%	0.378	S	S	*	.	H	α-helix	trans	-58.6	-35.2	179.8	-76.3	-166.8	-174.2	0	0	112.4	I284 T285 K286	E282-I284 VanDerWaalsContact C-N 3.28Å; E282-I284 PolarHBondContact O-N 3.48Å; E282-T285 PolarHBondContact O-N 3.18Å; E282-K286 WeakPolarHBondContact O-CB 3.24Å; E282-K286 VanDerWaalsContact O-CG 3.28Å; E282-K286 WeakPolarHBondContact O-CG 3.2Å; E282-K286 PolarHBondContact O-N 3.47Å; E282-K286 IonicContact OE2-NZ 3.56Å; E282-K286 PolarHBondContact OE2-NZ 3.41Å
283	E	92.4	Very high	89	Confident	104 Å²	104	82.8 Å²	82.8	49%	0.486	41%	0.412	S	S	.	.	H	α-helix	trans	-59.3	-38.4	177.3	59	-95.1	-158.7	0	0	112.7	P281 I287	P281-E283 VanDerWaalsContact CB-CD 3.44Å; P281-E283 HydrophobicContact CB-CG 4.06Å; P281-E283 WeakPolarHBondContact CB-OE1 3.22Å; P281-E283 PolarHBondContact O-N 3.04Å; E283-I287 WeakPolarHBondContact O-CD1 3.32Å; E283-I287 WeakPolarHBondContact O-CG1 3.27Å
284	I	92.9	Very high	89.6	Confident	5 Å²	5	85 Å²	85	3%	0.026	42%	0.423	C	S	.	.	H	α-helix	trans	-72.4	-45.6	177.5	-67.8	174.2	0	0	0	109.6	F235 I263 V280 P281 E282 K286 I287 I288 Y301	F235-I284 HydrophobicContact CB-CD1 3.89Å; F235-I284 HydrophobicContact CD1-CD1 3.66Å; F235-I284 HydrophobicContact CE1-CD1 4.5Å; F235-I284 HydrophobicContact CG-CD1 4.01Å; I263-I284 HydrophobicContact CD1-CG2 4.01Å; V280-I284 HydrophobicContact CG1-CB 3.78Å; V280-I284 HydrophobicContact CG1-CG2 3.58Å; P281-I284 HydrophobicContact CB-CD1 4.45Å; P281-I284 HydrophobicContact CG-CD1 4.18Å; P281-I284 PolarHBondContact O-N 3Å; P281-I284 VanDerWaalsContact O-N 3.1Å; E282-I284 VanDerWaalsContact C-N 3.28Å; E282-I284 PolarHBondContact O-N 3.48Å; I284-K286 PolarHBondContact O-N 2.78Å; I284-I287 PolarHBondContact O-N 2.86Å; I284-I288 HydrophobicContact CG2-CD1 3.49Å; I284-I288 VanDerWaalsContact CG2-CD1 3.49Å; I284-I288 HydrophobicContact CG2-CG1 4.21Å; I284-I288 WeakPolarHBondContact O-CG1 3.19Å; I284-I288 PolarHBondContact O-N 2.99Å; I284-Y301 WeakPolarHBondContact CG1-OH 3.32Å; I284-Y301 HydrophobicContact CG2-CE1 4.18Å
285	T	91.1	Very high	90.1	Very high	59 Å²	59	80.6 Å²	80.6	36%	0.362	41%	0.408	S	S	.	.	H	α-helix	trans	-62	-42	-177.9	-57.8	0	0	0	0	111.8	P281 E282 I287 I288 E289	P281-T285 PolarHBondContact O-N 3.46Å; P281-T285 VanDerWaalsContact O-N 3.12Å; P281-T285 PolarHBondContact O-OG1 2.8Å; E282-T285 PolarHBondContact O-N 3.18Å; T285-I287 PolarHBondContact O-N 3.17Å; T285-I288 PolarHBondContact O-N 2.96Å; T285-E289 VanDerWaalsContact O-CB 3.29Å; T285-E289 WeakPolarHBondContact O-CB 3.14Å; T285-E289 PolarHBondContact O-N 2.84Å
286	K	94.3	Very high	91	Very high	137 Å²	137	75.7 Å²	75.7	60%	0.596	39%	0.388	S	S	*	.	H	α-helix	trans	-60.8	-31.4	177.9	-76.6	169.1	-174	156.9	0	113	E282 I284 P290	E282-K286 WeakPolarHBondContact O-CB 3.24Å; E282-K286 VanDerWaalsContact O-CG 3.28Å; E282-K286 WeakPolarHBondContact O-CG 3.2Å; E282-K286 PolarHBondContact O-N 3.47Å; E282-K286 IonicContact OE2-NZ 3.56Å; E282-K286 PolarHBondContact OE2-NZ 3.41Å; I284-K286 PolarHBondContact O-N 2.78Å; K286-P290 VanDerWaalsContact O-CD 3.22Å; K286-P290 WeakPolarHBondContact O-CD 3.43Å; K286-P290 WeakPolarHBondContact O-CG 3.19Å
287	I	94.1	Very high	91.7	Very high	84 Å²	84	76.6 Å²	76.6	43%	0.431	40%	0.396	S	S	.	.	H	α-helix	trans	-85	-40.4	179.4	-63.5	170.4	0	0	0	111.3	E283 I284 T285 P290 I291 Y301	E283-I287 WeakPolarHBondContact O-CD1 3.32Å; E283-I287 WeakPolarHBondContact O-CG1 3.27Å; I284-I287 PolarHBondContact O-N 2.86Å; T285-I287 PolarHBondContact O-N 3.17Å; I287-P290 WeakPolarHBondContact O-CD 3.5Å; I287-I291 WeakPolarHBondContact O-CG1 3.48Å; I287-Y301 HydrophobicContact CB-CE2 4.13Å; I287-Y301 HydrophobicContact CD1-CE2 3.64Å; I287-Y301 HydrophobicContact CG1-CE2 4.48Å; I287-Y301 HydrophobicContact CG2-CD2 3.65Å; I287-Y301 HydrophobicContact CG2-CE2 3.62Å; I287-Y301 HydrophobicContact CG2-CG 4.2Å
288	I	92.8	Very high	92.3	Very high	2 Å²	2	70.2 Å²	70.2	1%	0.01	37%	0.368	C	S	.	.	H	α-helix	trans	-77.9	-38.3	-174.3	-69.3	-178.2	0	0	0	112.3	I263 Y266 L269 I284 T285 I291 K292 I298 Y301	I263-I288 HydrophobicContact CD1-CD1 3.9Å; I263-I288 HydrophobicContact CG2-CD1 4.09Å; Y266-I288 HydrophobicContact CD2-CG2 3.63Å; Y266-I288 HydrophobicContact CE2-CG2 4.14Å; L269-I288 HydrophobicContact CD2-CD1 3.67Å; I284-I288 HydrophobicContact CG2-CD1 3.49Å; I284-I288 VanDerWaalsContact CG2-CD1 3.49Å; I284-I288 HydrophobicContact CG2-CG1 4.21Å; I284-I288 WeakPolarHBondContact O-CG1 3.19Å; I284-I288 PolarHBondContact O-N 2.99Å; T285-I288 PolarHBondContact O-N 2.96Å; I288-I291 CarbonylContact O-C 3.6Å; I288-I291 VanDerWaalsContact O-CG1 3.24Å; I288-I291 WeakPolarHBondContact O-CG1 3.29Å; I288-I291 PolarHBondContact O-N 3.38Å; I288-K292 PolarHBondContact O-N 3.35Å; I288-I298 HydrophobicContact CG2-CD1 4.36Å; I288-I298 HydrophobicContact CG2-CG1 4.41Å; I288-Y301 HydrophobicContact CD1-CD1 4Å; I288-Y301 HydrophobicContact CD1-CE1 3.88Å; I288-Y301 HydrophobicContact CG1-CD1 3.86Å; I288-Y301 HydrophobicContact CG1-CE1 3.88Å
289	E	92.7	Very high	92.8	Very high	69 Å²	69	71.8 Å²	71.8	32%	0.322	37%	0.373	S	S	.	.	G	3₁₀ helix	trans	-58.9	-40.8	-174.2	-169	65	-150.4	0	0	113.4	Y266 T285 I291 K292	Y266-E289 WeakPolarHBondContact CE2-OE2 3.07Å; Y266-E289 PolarHBondContact OH-OE2 3.5Å; T285-E289 VanDerWaalsContact O-CB 3.29Å; T285-E289 WeakPolarHBondContact O-CB 3.14Å; T285-E289 PolarHBondContact O-N 2.84Å; E289-I291 PolarHBondContact O-N 3.15Å; E289-K292 WeakPolarHBondContact O-CB 3.42Å; E289-K292 WeakPolarHBondContact O-CG 3.47Å; E289-K292 PolarHBondContact O-N 2.91Å; E289-K292 WeakPolarHBondContact OE1-CD 3.32Å; E289-K292 IonicContact OE1-NZ 2.56Å; E289-K292 PolarHBondContact OE1-NZ 2.86Å
290	P	96	Very high	93.3	Very high	106 Å²	106	67.2 Å²	67.2	69%	0.688	35%	0.354	S	S	*	.	G	3₁₀ helix	trans	-64.5	-23.5	173.8	-23.5	34.9	0	0	0	115	K286 I287	K286-P290 VanDerWaalsContact O-CD 3.22Å; K286-P290 WeakPolarHBondContact O-CD 3.43Å; K286-P290 WeakPolarHBondContact O-CG 3.19Å; I287-P290 WeakPolarHBondContact O-CD 3.5Å
291	I	95.2	Very high	93.6	Very high	49 Å²	49	67.9 Å²	67.9	25%	0.251	35%	0.353	S	S	.	.	G	3₁₀ helix	trans	-110.9	15	-177.2	63	171.6	0	0	0	112.6	I287 I288 E289 D293 N294 A297 I298	I287-I291 WeakPolarHBondContact O-CG1 3.48Å; I288-I291 CarbonylContact O-C 3.6Å; I288-I291 VanDerWaalsContact O-CG1 3.24Å; I288-I291 WeakPolarHBondContact O-CG1 3.29Å; I288-I291 PolarHBondContact O-N 3.38Å; E289-I291 PolarHBondContact O-N 3.15Å; I291-D293 PolarHBondContact O-N 3.29Å; I291-N294 PolarHBondContact O-N 2.97Å; I291-A297 HydrophobicContact CB-CB 4.38Å; I291-A297 HydrophobicContact CD1-CB 4.1Å; I291-I298 HydrophobicContact CD1-CG1 3.84Å; I291-I298 HydrophobicContact CG1-CG1 3.8Å; I291-I298 WeakPolarHBondContact O-CD1 3.44Å
292	K	93.1	Very high	93.8	Very high	78 Å²	78	66.9 Å²	66.9	34%	0.339	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-26.8	-170.6	66.2	-177.7	169.6	-168.8	0	115.5	Y266 I288 E289	Y266-K292 WeakPolarHBondContact CB-O 3.44Å; Y266-K292 HydrophobicContact CD1-CB 4.28Å; Y266-K292 HydrophobicContact CD2-CB 3.65Å; Y266-K292 HydrophobicContact CE1-CB 4.48Å; Y266-K292 HydrophobicContact CE2-CB 3.86Å; Y266-K292 HydrophobicContact CG-CB 3.86Å; I288-K292 PolarHBondContact O-N 3.35Å; E289-K292 WeakPolarHBondContact O-CB 3.42Å; E289-K292 WeakPolarHBondContact O-CG 3.47Å; E289-K292 PolarHBondContact O-N 2.91Å; E289-K292 WeakPolarHBondContact OE1-CD 3.32Å; E289-K292 IonicContact OE1-NZ 2.56Å; E289-K292 PolarHBondContact OE1-NZ 2.86Å
293	D	93.7	Very high	94.1	Very high	153 Å²	153	61 Å²	61	82%	0.818	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.5	5.8	179.6	-57.5	-49.7	0	0	0	112.6	I291	I291-D293 PolarHBondContact O-N 3.29Å
294	N	94.3	Very high	94.3	Very high	82 Å²	82	61.3 Å²	61.3	44%	0.439	32%	0.321	S	S	.	.			trans	-121.3	83.4	178.4	-173.1	-16.3	0	0	0	111.3	I291 A296 A297 I298	I291-N294 PolarHBondContact O-N 2.97Å; N294-A296 PolarHBondContact O-N 3.44Å; N294-A296 VanDerWaalsContact O-N 3.15Å; N294-A296 PolarHBondContact OD1-N 3Å; N294-A297 HydrophobicContact CB-CB 4.06Å; N294-A297 PolarHBondContact O-N 3Å; N294-A297 PolarHBondContact OD1-N 3.09Å; N294-I298 WeakPolarHBondContact O-CG1 3.42Å; N294-I298 PolarHBondContact O-N 2.96Å
295	D	90.3	Very high	94.5	Very high	82 Å²	82	62.4 Å²	62.4	44%	0.439	33%	0.326	S	S	.	.	H	α-helix	trans	-57.3	-30	-179.9	-78.6	-24.7	0	0	0	113.9	G265 R299	G265-D295 WeakPolarHBondContact CA-OD1 3.46Å; D295-R299 VanDerWaalsContact O-CB 3.25Å; D295-R299 WeakPolarHBondContact O-CB 3.33Å; D295-R299 PolarHBondContact O-N 3Å
296	A	92.9	Very high	94.8	Very high	42 Å²	42	59.6 Å²	59.6	35%	0.347	31%	0.309	S	S	.	.	H	α-helix	trans	-67.9	-44.6	176.1	0	0	0	0	0	111.5	N294 R299 N300	N294-A296 PolarHBondContact O-N 3.44Å; N294-A296 VanDerWaalsContact O-N 3.15Å; N294-A296 PolarHBondContact OD1-N 3Å; A296-R299 PolarHBondContact O-N 3Å; A296-N300 PolarHBondContact O-N 2.94Å; A296-N300 VanDerWaalsContact O-N 3.08Å
297	A	95.1	Very high	95	Very high	31 Å²	31	53.1 Å²	53.1	26%	0.256	28%	0.281	S	S	.	.	H	α-helix	trans	-64.5	-42.6	175.4	0	0	0	0	0	111.7	I291 N294 R299 N300 Y301	I291-A297 HydrophobicContact CB-CB 4.38Å; I291-A297 HydrophobicContact CD1-CB 4.1Å; N294-A297 HydrophobicContact CB-CB 4.06Å; N294-A297 PolarHBondContact O-N 3Å; N294-A297 PolarHBondContact OD1-N 3.09Å; A297-R299 VanDerWaalsContact C-N 3.35Å; A297-R299 PolarHBondContact O-N 2.78Å; A297-N300 PolarHBondContact O-N 3.05Å; A297-Y301 PolarHBondContact O-N 2.83Å
298	I	94.8	Very high	95.2	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-61.6	-44.1	176.9	-64.2	170.7	0	0	0	110.9	I263 I288 I291 N294 N300 Y301 G302	I263-I298 HydrophobicContact CG2-CG2 3.73Å; I288-I298 HydrophobicContact CG2-CD1 4.36Å; I288-I298 HydrophobicContact CG2-CG1 4.41Å; I291-I298 HydrophobicContact CD1-CG1 3.84Å; I291-I298 HydrophobicContact CG1-CG1 3.8Å; I291-I298 WeakPolarHBondContact O-CD1 3.44Å; N294-I298 WeakPolarHBondContact O-CG1 3.42Å; N294-I298 PolarHBondContact O-N 2.96Å; I298-N300 PolarHBondContact O-N 3.35Å; I298-Y301 WeakPolarHBondContact O-CB 3.4Å; I298-Y301 PolarHBondContact O-N 3.2Å; I298-G302 PolarHBondContact O-N 3.25Å
299	R	95.1	Very high	95.5	Very high	58 Å²	58	54 Å²	54	22%	0.219	29%	0.286	C	S	.	.	H	α-helix	trans	-61.7	-43.7	178.1	-177.9	177.7	62.8	-111.9	2.6	111.7	D295 A296 A297 Y301 G302 I303 A332	D295-R299 VanDerWaalsContact O-CB 3.25Å; D295-R299 WeakPolarHBondContact O-CB 3.33Å; D295-R299 PolarHBondContact O-N 3Å; A296-R299 PolarHBondContact O-N 3Å; A297-R299 VanDerWaalsContact C-N 3.35Å; A297-R299 PolarHBondContact O-N 2.78Å; R299-Y301 VanDerWaalsContact C-N 3.34Å; R299-Y301 PolarHBondContact O-N 3.3Å; R299-G302 PolarHBondContact O-N 2.98Å; R299-I303 HydrophobicContact CG-CD1 4.04Å; R299-I303 VanDerWaalsContact O-CG1 3.3Å; R299-I303 WeakPolarHBondContact O-CG1 3.38Å; R299-I303 PolarHBondContact O-N 3.47Å; R299-A332 HydrophobicContact CG-CB 4.16Å
300	N	95.9	Very high	95.7	Very high	85 Å²	85	50.8 Å²	50.8	46%	0.455	27%	0.271	S	S	.	.	H	α-helix	trans	-62.3	-43.4	177.6	-69.3	-10.1	0	0	0	111.3	A296 A297 I298 I303 H304	A296-N300 PolarHBondContact O-N 2.94Å; A296-N300 VanDerWaalsContact O-N 3.08Å; A297-N300 PolarHBondContact O-N 3.05Å; I298-N300 PolarHBondContact O-N 3.35Å; N300-I303 PolarHBondContact O-N 2.99Å; N300-H304 PolarHBondContact O-CD2 3.05Å; N300-H304 PolarHBondContact O-N 3.3Å; N300-H304 VanDerWaalsContact O-N 3.09Å
301	Y	96.3	Very high	95.8	Very high	46 Å²	46	50.8 Å²	50.8	18%	0.18	26%	0.257	C	S	.	.	H	α-helix	trans	-58.7	-46.8	172.5	171.1	-97.7	0	0	0	112	I284 I287 I288 A297 I298 R299 I303 H304 Q305	I284-Y301 WeakPolarHBondContact CG1-OH 3.32Å; I284-Y301 HydrophobicContact CG2-CE1 4.18Å; I287-Y301 HydrophobicContact CB-CE2 4.13Å; I287-Y301 HydrophobicContact CD1-CE2 3.64Å; I287-Y301 HydrophobicContact CG1-CE2 4.48Å; I287-Y301 HydrophobicContact CG2-CD2 3.65Å; I287-Y301 HydrophobicContact CG2-CE2 3.62Å; I287-Y301 HydrophobicContact CG2-CG 4.2Å; I288-Y301 HydrophobicContact CD1-CD1 4Å; I288-Y301 HydrophobicContact CD1-CE1 3.88Å; I288-Y301 HydrophobicContact CG1-CD1 3.86Å; I288-Y301 HydrophobicContact CG1-CE1 3.88Å; A297-Y301 PolarHBondContact O-N 2.83Å; I298-Y301 WeakPolarHBondContact O-CB 3.4Å; I298-Y301 PolarHBondContact O-N 3.2Å; R299-Y301 VanDerWaalsContact C-N 3.34Å; R299-Y301 PolarHBondContact O-N 3.3Å; Y301-I303 VanDerWaalsContact C-N 3.32Å; Y301-I303 PolarHBondContact O-N 3.28Å; Y301-H304 PolarHBondContact O-N 3.3Å; Y301-Q305 HydrophobicContact CE1-CB 4.46Å; Y301-Q305 PolarHBondContact O-N 2.67Å
302	G	95.8	Very high	96	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-62.7	-35.4	178.9	0	0	0	0	0	113.6	I263 I298 R299 A306	I263-G302 WeakPolarHBondContact O-CA 3.15Å; I298-G302 PolarHBondContact O-N 3.25Å; R299-G302 PolarHBondContact O-N 2.98Å; G302-A306 WeakPolarHBondContact O-CB 3.44Å; G302-A306 PolarHBondContact O-N 3.31Å
303	I	97.5	Very high	96.2	Very high	10 Å²	10	48.5 Å²	48.5	5%	0.051	25%	0.252	C	S	.	.	H	α-helix	trans	-62.9	-51.4	172.2	-69.9	162.3	0	0	0	110	R299 N300 Y301 Q305 A306 V307 A332 E335 V336	R299-I303 HydrophobicContact CG-CD1 4.04Å; R299-I303 VanDerWaalsContact O-CG1 3.3Å; R299-I303 WeakPolarHBondContact O-CG1 3.38Å; R299-I303 PolarHBondContact O-N 3.47Å; N300-I303 PolarHBondContact O-N 2.99Å; Y301-I303 VanDerWaalsContact C-N 3.32Å; Y301-I303 PolarHBondContact O-N 3.28Å; I303-Q305 PolarHBondContact O-N 3.2Å; I303-A306 PolarHBondContact O-N 2.84Å; I303-V307 HydrophobicContact CG2-CG2 4.4Å; I303-V307 WeakPolarHBondContact O-CB 3.32Å; I303-V307 VanDerWaalsContact O-CG2 3.3Å; I303-V307 WeakPolarHBondContact O-CG2 3.37Å; I303-V307 PolarHBondContact O-N 3.11Å; I303-A332 HydrophobicContact CD1-CB 4.42Å; I303-A332 HydrophobicContact CG1-CB 4.05Å; I303-E335 HydrophobicContact CD1-CB 4.13Å; I303-E335 HydrophobicContact CD1-CG 4.08Å; I303-E335 HydrophobicContact CG2-CB 4.44Å; I303-E335 HydrophobicContact CG2-CG 3.89Å; I303-V336 HydrophobicContact CB-CG2 4.31Å; I303-V336 HydrophobicContact CG1-CG2 4.33Å; I303-V336 HydrophobicContact CG2-CG2 4.03Å
304	H	97.4	Very high	96.4	Very high	109 Å²	109	41.7 Å²	41.7	51%	0.505	22%	0.215	S	C	.	.	H	α-helix	trans	-59.2	-48.7	179.6	-76.9	-64.3	0	0	0	112.3	N300 Y301 A306 V307 D308	N300-H304 PolarHBondContact O-CD2 3.05Å; N300-H304 PolarHBondContact O-N 3.3Å; N300-H304 VanDerWaalsContact O-N 3.09Å; Y301-H304 PolarHBondContact O-N 3.3Å; H304-A306 VanDerWaalsContact C-N 3.34Å; H304-A306 PolarHBondContact O-N 3.37Å; H304-V307 PolarHBondContact O-N 2.97Å; H304-D308 PolarHBondContact O-N 3.32Å
305	Q	96.6	Very high	96.5	Very high	29 Å²	29	44.1 Å²	44.1	14%	0.136	23%	0.228	C	C	.	.	H	α-helix	trans	-60.9	-42.6	178.8	-176.3	-81.9	-14.7	0	0	111.8	F235 Y301 I303 D308 M309	F235-Q305 PolarHBondContact O-NE2 3.25Å; F235-Q305 VanDerWaalsContact O-NE2 3.16Å; Y301-Q305 HydrophobicContact CE1-CB 4.46Å; Y301-Q305 PolarHBondContact O-N 2.67Å; I303-Q305 PolarHBondContact O-N 3.2Å; Q305-D308 PolarHBondContact O-N 3.36Å; Q305-M309 WeakPolarHBondContact O-CB 3.4Å; Q305-M309 PolarHBondContact O-N 3.28Å
306	A	97.8	Very high	96.7	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-66.5	-42.1	179.1	0	0	0	0	0	111.6	I260 P262 G302 I303 H304 M309 C310 V336	I260-A306 HydrophobicContact CG2-CB 4.46Å; P262-A306 HydrophobicContact CB-CB 4.44Å; G302-A306 WeakPolarHBondContact O-CB 3.44Å; G302-A306 PolarHBondContact O-N 3.31Å; I303-A306 PolarHBondContact O-N 2.84Å; H304-A306 VanDerWaalsContact C-N 3.34Å; H304-A306 PolarHBondContact O-N 3.37Å; A306-M309 PolarHBondContact O-N 2.9Å; A306-C310 VanDerWaalsContact O-CB 3.25Å; A306-C310 WeakPolarHBondContact O-CB 3.46Å; A306-C310 PolarHBondContact O-N 3.36Å; A306-C310 PolarHBondContact O-SG 2.81Å; A306-V336 HydrophobicContact CB-CG1 4.36Å; A306-V336 HydrophobicContact CB-CG2 3.93Å
307	V	98.5	Very high	96.7	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.006	24%	0.239	C	C	.	.	H	α-helix	trans	-60.2	-48.6	176.2	168.6	0	0	0	0	110.9	I303 H304 M309 C310 R311 V336 Q339 L340	I303-V307 HydrophobicContact CG2-CG2 4.4Å; I303-V307 WeakPolarHBondContact O-CB 3.32Å; I303-V307 VanDerWaalsContact O-CG2 3.3Å; I303-V307 WeakPolarHBondContact O-CG2 3.37Å; I303-V307 PolarHBondContact O-N 3.11Å; H304-V307 PolarHBondContact O-N 2.97Å; V307-M309 PolarHBondContact O-N 3.02Å; V307-C310 PolarHBondContact O-N 3.49Å; V307-R311 WeakPolarHBondContact O-CG 3.45Å; V307-R311 PolarHBondContact O-N 2.79Å; V307-V336 HydrophobicContact CG2-CB 4.2Å; V307-V336 HydrophobicContact CG2-CG1 3.94Å; V307-V336 HydrophobicContact CG2-CG2 4.13Å; V307-Q339 HydrophobicContact CG1-CB 4.43Å; V307-Q339 HydrophobicContact CG2-CB 3.93Å; V307-L340 HydrophobicContact CG1-CD2 4.28Å
308	D	97.9	Very high	96.6	Very high	93 Å²	93	46.9 Å²	46.9	50%	0.497	25%	0.248	S	C	.	.	H	α-helix	trans	-63.4	-43.9	-178.9	-71.1	-17.1	0	0	0	111.5	H304 Q305 R311 V312	H304-D308 PolarHBondContact O-N 3.32Å; Q305-D308 PolarHBondContact O-N 3.36Å; D308-R311 PolarHBondContact O-N 2.96Å; D308-R311 IonicContact OD1-NH1 2.7Å; D308-V312 WeakPolarHBondContact O-CG2 3.21Å; D308-V312 PolarHBondContact O-N 3.02Å
309	M	97.9	Very high	96.6	Very high	12 Å²	12	47.1 Å²	47.1	6%	0.059	25%	0.249	C	C	.	.	H	α-helix	trans	-62.2	-45.4	175.5	-176.1	169.1	72.4	0	0	111.8	F234 A237 I260 Q305 A306 V307 V312 L313	F234-M309 HydrophobicContact CD2-CE 4.49Å; F234-M309 HydrophobicContact CD2-SD 3.89Å; F234-M309 HydrophobicContact CE2-CE 4.19Å; F234-M309 HydrophobicContact CE2-CG 4.34Å; F234-M309 HydrophobicContact CE2-SD 3.74Å; A237-M309 HydrophobicContact CB-CG 4.13Å; I260-M309 HydrophobicContact CD1-CE 3.85Å; I260-M309 HydrophobicContact CG2-CE 4.13Å; Q305-M309 WeakPolarHBondContact O-CB 3.4Å; Q305-M309 PolarHBondContact O-N 3.28Å; A306-M309 PolarHBondContact O-N 2.9Å; V307-M309 PolarHBondContact O-N 3.02Å; M309-V312 PolarHBondContact O-N 2.97Å; M309-L313 HydrophobicContact CG-CD1 4.27Å; M309-L313 WeakPolarHBondContact O-CG 3.36Å; M309-L313 PolarHBondContact O-N 2.83Å; M309-L313 VanDerWaalsContact O-N 3.09Å
310	C	98.4	Very high	96.3	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-65.6	-38.3	-180	-69.6	0	0	0	0	112.2	A306 V307 L313 L314 L322 L340	A306-C310 VanDerWaalsContact O-CB 3.25Å; A306-C310 WeakPolarHBondContact O-CB 3.46Å; A306-C310 PolarHBondContact O-N 3.36Å; A306-C310 PolarHBondContact O-SG 2.81Å; V307-C310 PolarHBondContact O-N 3.49Å; C310-L313 PolarHBondContact O-N 3.19Å; C310-L314 WeakPolarHBondContact O-CB 3.49Å; C310-L314 VanDerWaalsContact O-CG 3.26Å; C310-L314 WeakPolarHBondContact O-CG 3.45Å; C310-L314 PolarHBondContact O-N 3.13Å; C310-L322 HydrophobicContact CB-CD1 3.78Å; C310-L340 HydrophobicContact CB-CD1 3.55Å; C310-L340 HydrophobicContact CB-CD2 3.95Å; C310-L340 HydrophobicContact CB-CG 4.39Å
311	R	98	Very high	96.3	Very high	107 Å²	107	41.3 Å²	41.3	40%	0.404	22%	0.224	S	C	.	.	H	α-helix	trans	-58.8	-48.3	174.2	-76.5	177.5	-179.6	145.1	2.7	111.4	V307 D308 L313 L314 D315 Q339 L340	V307-R311 WeakPolarHBondContact O-CG 3.45Å; V307-R311 PolarHBondContact O-N 2.79Å; D308-R311 PolarHBondContact O-N 2.96Å; D308-R311 IonicContact OD1-NH1 2.7Å; R311-L313 VanDerWaalsContact C-N 3.28Å; R311-L313 PolarHBondContact O-N 3.5Å; R311-L314 PolarHBondContact O-N 3.44Å; R311-D315 WeakPolarHBondContact O-CB 3.5Å; R311-D315 PolarHBondContact O-N 3.35Å; R311-Q339 PolarHBondContact NH2-O 3.05Å; R311-L340 HydrophobicContact CG-CD2 3.72Å
312	V	98.2	Very high	96.4	Very high	79 Å²	79	39.1 Å²	39.1	48%	0.479	22%	0.215	S	C	.	.	H	α-helix	trans	-58.3	-41.3	176.5	175.5	0	0	0	0	111.7	A237 D308 M309 S316	A237-V312 HydrophobicContact CB-CB 4.02Å; A237-V312 HydrophobicContact CB-CG1 3.66Å; D308-V312 WeakPolarHBondContact O-CG2 3.21Å; D308-V312 PolarHBondContact O-N 3.02Å; M309-V312 PolarHBondContact O-N 2.97Å; V312-S316 PolarHBondContact O-N 2.89Å
313	L	98.2	Very high	96.5	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-65.2	-48.5	177.7	-68.3	170.6	0	0	0	111.9	F234 A237 F240 L241 P258 I260 M309 C310 R311 S316 V319 L322	F234-L313 HydrophobicContact CE2-CD1 4.03Å; F234-L313 HydrophobicContact CZ-CD1 3.83Å; F234-L313 HydrophobicContact CZ-CD2 4.47Å; A237-L313 HydrophobicContact CB-CD2 3.96Å; A237-L313 HydrophobicContact CB-CG 4.09Å; F240-L313 HydrophobicContact CB-CD2 4.16Å; F240-L313 HydrophobicContact CD1-CD2 3.59Å; F240-L313 HydrophobicContact CE1-CD2 4.4Å; F240-L313 HydrophobicContact CG-CD2 4.14Å; L241-L313 HydrophobicContact CD2-CD2 4.4Å; L241-L313 HydrophobicContact CG-CD2 4.31Å; P258-L313 HydrophobicContact CB-CD1 4.08Å; P258-L313 HydrophobicContact CG-CD1 4.19Å; I260-L313 HydrophobicContact CD1-CD1 3.75Å; M309-L313 HydrophobicContact CG-CD1 4.27Å; M309-L313 WeakPolarHBondContact O-CG 3.36Å; M309-L313 PolarHBondContact O-N 2.83Å; M309-L313 VanDerWaalsContact O-N 3.09Å; C310-L313 PolarHBondContact O-N 3.19Å; R311-L313 VanDerWaalsContact C-N 3.28Å; R311-L313 PolarHBondContact O-N 3.5Å; L313-S316 WeakPolarHBondContact O-CB 3.28Å; L313-S316 PolarHBondContact O-N 3.23Å; L313-S316 PolarHBondContact O-OG 3.36Å; L313-V319 HydrophobicContact CB-CB 4.47Å; L313-V319 HydrophobicContact CB-CG1 4.49Å; L313-V319 HydrophobicContact CB-CG2 4.18Å; L313-V319 HydrophobicContact CD2-CG2 4.39Å; L313-V319 WeakPolarHBondContact O-CB 3.47Å; L313-V319 WeakPolarHBondContact O-CG2 3.4Å; L313-L322 HydrophobicContact CB-CD2 4.48Å; L313-L322 HydrophobicContact CD1-CD2 4.31Å
314	L	96.8	Very high	96.6	Very high	10 Å²	10	38.7 Å²	38.7	5%	0.052	21%	0.213	C	C	.	.	H	α-helix	trans	-66.4	-44.7	-179.6	-68.3	175.3	0	0	0	111.8	Q62 C310 R311 S316 G317 L322 L340 L342	Q62-L314 HydrophobicContact CB-CD2 4.47Å; Q62-L314 HydrophobicContact CG-CD2 4.2Å; C310-L314 WeakPolarHBondContact O-CB 3.49Å; C310-L314 VanDerWaalsContact O-CG 3.26Å; C310-L314 WeakPolarHBondContact O-CG 3.45Å; C310-L314 PolarHBondContact O-N 3.13Å; R311-L314 PolarHBondContact O-N 3.44Å; L314-S316 PolarHBondContact O-N 2.85Å; L314-G317 PolarHBondContact O-N 2.97Å; L314-G317 VanDerWaalsContact O-N 3.13Å; L314-L322 HydrophobicContact CD1-CD1 3.99Å; L314-L322 HydrophobicContact CD2-CD1 4.17Å; L314-L322 HydrophobicContact CD2-CD2 4.33Å; L314-L322 HydrophobicContact CD2-CG 4.07Å; L314-L322 HydrophobicContact CG-CD1 4.16Å; L314-L322 HydrophobicContact CG-CG 4.48Å; L314-L340 HydrophobicContact CD1-CD2 4.38Å; L314-L342 HydrophobicContact CD1-CD1 4.23Å
315	D	96.6	Very high	96.6	Very high	133 Å²	133	34.6 Å²	34.6	71%	0.711	19%	0.193	S	C	*	.	H	α-helix	trans	-67.1	-18.8	-179.8	-68.3	-18.1	0	0	0	112.7	R311 G317	R311-D315 WeakPolarHBondContact O-CB 3.5Å; R311-D315 PolarHBondContact O-N 3.35Å; D315-G317 PolarHBondContact O-N 2.96Å
316	S	95.9	Very high	96.5	Very high	42 Å²	42	33.2 Å²	33.2	29%	0.294	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-20.7	173.2	78.8	0	0	0	0	113.2	V312 L313 L314 K318	V312-S316 PolarHBondContact O-N 2.89Å; L313-S316 WeakPolarHBondContact O-CB 3.28Å; L313-S316 PolarHBondContact O-N 3.23Å; L313-S316 PolarHBondContact O-OG 3.36Å; L314-S316 PolarHBondContact O-N 2.85Å; S316-K318 PolarHBondContact O-N 3.49Å; S316-K318 VanDerWaalsContact O-N 3.14Å; S316-K318 PolarHBondContact OG-N 3.42Å; S316-K318 VanDerWaalsContact OG-N 3.16Å
317	G	92.6	Very high	96.3	Very high	70 Å²	70	36 Å²	36	72%	0.722	20%	0.201	S	C	*	.	S	Bend	trans	69.2	-0.6	-173.7	0	0	0	0	0	114.6	L314 D315	L314-G317 PolarHBondContact O-N 2.97Å; L314-G317 VanDerWaalsContact O-N 3.13Å; D315-G317 PolarHBondContact O-N 2.96Å
318	K	92.6	Very high	96	Very high	100 Å²	100	37 Å²	37	44%	0.435	21%	0.207	S	C	.	.			trans	-95.9	-14.6	-179.5	-58.8	-176.5	-179.1	-178.8	0	113.4	L244 D245 S316	L244-K318 HydrophobicContact CD2-CB 3.64Å; L244-K318 HydrophobicContact CD2-CD 4.27Å; D245-K318 VanDerWaalsContact CG-NZ 3.25Å; D245-K318 IonicContact OD1-NZ 2.81Å; D245-K318 PolarHBondContact OD1-NZ 3.46Å; D245-K318 IonicContact OD2-NZ 2.66Å; D245-K318 PolarHBondContact OD2-NZ 3.02Å; S316-K318 PolarHBondContact O-N 3.49Å; S316-K318 VanDerWaalsContact O-N 3.14Å; S316-K318 PolarHBondContact OG-N 3.42Å; S316-K318 VanDerWaalsContact OG-N 3.16Å
319	V	94.5	Very high	95.8	Very high	5 Å²	5	37.1 Å²	37.1	3%	0.03	20%	0.2	C	C	.	.			trans	-108.2	108.7	-174.7	178	0	0	0	0	109.7	F240 P258 L313 G321 L322	F240-V319 HydrophobicContact CD1-CG2 4.25Å; F240-V319 HydrophobicContact CE1-CG2 3.55Å; F240-V319 HydrophobicContact CZ-CG2 4.39Å; P258-V319 HydrophobicContact CG-CG1 3.66Å; L313-V319 HydrophobicContact CB-CB 4.47Å; L313-V319 HydrophobicContact CB-CG1 4.49Å; L313-V319 HydrophobicContact CB-CG2 4.18Å; L313-V319 HydrophobicContact CD2-CG2 4.39Å; L313-V319 WeakPolarHBondContact O-CB 3.47Å; L313-V319 WeakPolarHBondContact O-CG2 3.4Å; V319-G321 WeakPolarHBondContact CG1-O 3.22Å; V319-L322 HydrophobicContact CG1-CD2 4.11Å
320	P	88.4	Confident	95.6	Very high	22 Å²	22	38.4 Å²	38.4	14%	0.143	21%	0.206	C	C	.	.			trans	-83.3	-17.6	-176.9	33.2	-35.9	0	0	0	113.5	M57 Q62 W63	M57-P320 HydrophobicContact CE-CG 4.35Å; M57-P320 HydrophobicContact CG-CB 3.51Å; M57-P320 HydrophobicContact CG-CG 4.02Å; M57-P320 HydrophobicContact SD-CB 4.29Å; M57-P320 HydrophobicContact SD-CG 4.13Å; Q62-P320 WeakPolarHBondContact CA-O 3.37Å; W63-P320 VanDerWaalsContact CD1-O 3.24Å; W63-P320 PolarHBondContact N-O 2.9Å; W63-P320 PolarHBondContact NE1-O 3.28Å
321	G	96.4	Very high	95.4	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164	168	178.1	0	0	0	0	0	113.3	W63 P258 V319	W63-G321 CarbonylContact O-C 3.6Å; W63-G321 WeakPolarHBondContact O-CA 3.41Å; P258-G321 VanDerWaalsContact CD-O 3.29Å; P258-G321 WeakPolarHBondContact CD-O 3.42Å; V319-G321 WeakPolarHBondContact CG1-O 3.22Å
322	L	98.5	Very high	95.3	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	133.7	-174.8	-60.9	172.9	0	0	0	110.7	W63 F64 S65 P258 I260 C310 L313 L314 V319 F324 L340 L342	W63-L322 PolarHBondContact O-N 3.22Å; F64-L322 CarbonylContact C-O 3.33Å; F64-L322 WeakPolarHBondContact CA-O 3.35Å; S65-L322 PolarHBondContact N-O 3.4Å; P258-L322 HydrophobicContact CG-CD2 3.74Å; I260-L322 HydrophobicContact CG1-CD2 4.36Å; C310-L322 HydrophobicContact CB-CD1 3.78Å; L313-L322 HydrophobicContact CB-CD2 4.48Å; L313-L322 HydrophobicContact CD1-CD2 4.31Å; L314-L322 HydrophobicContact CD1-CD1 3.99Å; L314-L322 HydrophobicContact CD2-CD1 4.17Å; L314-L322 HydrophobicContact CD2-CD2 4.33Å; L314-L322 HydrophobicContact CD2-CG 4.07Å; L314-L322 HydrophobicContact CG-CD1 4.16Å; L314-L322 HydrophobicContact CG-CG 4.48Å; V319-L322 HydrophobicContact CG1-CD2 4.11Å; L322-F324 HydrophobicContact CB-CD2 4.22Å; L322-F324 HydrophobicContact CB-CE2 3.55Å; L322-F324 HydrophobicContact CB-CZ 4.25Å; L322-F324 HydrophobicContact CD1-CE2 4.1Å; L322-F324 HydrophobicContact CD1-CZ 4.12Å; L322-F324 HydrophobicContact CG-CE2 4.5Å; L322-L340 HydrophobicContact CD1-CD1 3.89Å; L322-L342 HydrophobicContact CD1-CD1 4.01Å
323	H	98.7	Very high	95.3	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	119.4	177.8	177.2	92.2	0	0	0	110.4	S65 E67 D96 I230 L257 P258 G259 I260 Y325	S65-H323 WeakPolarHBondContact OG-CA 3.3Å; S65-H323 WeakPolarHBondContact OG-CB 3.5Å; S65-H323 PolarHBondContact OG-ND1 3.46Å; E67-H323 WeakPolarHBondContact CB-NE2 3.29Å; E67-H323 IonicContact OE2-NE2 2.79Å; D96-H323 IonicContact OD2-CE1 3.71Å; D96-H323 PolarHBondContact OD2-CE1 2.91Å; D96-H323 IonicContact OD2-ND1 2.92Å; I230-H323 HydrophobicContact CG2-CB 4.19Å; L257-H323 HydrophobicContact CB-CB 4.37Å; P258-H323 PolarHBondContact O-N 3.03Å; G259-H323 CarbonylContact C-O 3.6Å; G259-H323 WeakPolarHBondContact CA-O 3.44Å; I260-H323 PolarHBondContact N-O 2.89Å; H323-Y325 AromaticContact CD2-CE1 3.91Å; H323-Y325 AromaticContact NE2-CE1 3.7Å
324	F	98.5	Very high	95.2	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	125.2	-173.8	-73.8	-95.2	0	0	0	113.6	F64 S65 L66 E67 I260 P262 L322 T326 T333 V336 L337 L340	F64-F324 HydrophobicContact CB-CD2 4.41Å; F64-F324 HydrophobicContact CB-CE2 4.31Å; S65-F324 PolarHBondContact O-N 2.81Å; L66-F324 HydrophobicContact CD2-CB 4.19Å; E67-F324 PolarHBondContact N-O 3.4Å; I260-F324 HydrophobicContact CB-CD1 4Å; I260-F324 HydrophobicContact CB-CE1 4.06Å; I260-F324 HydrophobicContact CB-CG 4.47Å; I260-F324 HydrophobicContact CG2-CD1 3.98Å; I260-F324 HydrophobicContact CG2-CE1 3.73Å; I260-F324 HydrophobicContact CG2-CZ 4.46Å; I260-F324 WeakPolarHBondContact O-CA 3.24Å; P262-F324 HydrophobicContact CG-CD1 3.83Å; P262-F324 HydrophobicContact CG-CE1 4.26Å; L322-F324 HydrophobicContact CB-CD2 4.22Å; L322-F324 HydrophobicContact CB-CE2 3.55Å; L322-F324 HydrophobicContact CB-CZ 4.25Å; L322-F324 HydrophobicContact CD1-CE2 4.1Å; L322-F324 HydrophobicContact CD1-CZ 4.12Å; L322-F324 HydrophobicContact CG-CE2 4.5Å; F324-T326 PolarHBondContact O-N 3.37Å; F324-T333 HydrophobicContact CB-CG2 3.76Å; F324-T333 HydrophobicContact CD1-CG2 3.93Å; F324-T333 HydrophobicContact CG-CG2 3.83Å; F324-V336 HydrophobicContact CE1-CB 4.33Å; F324-V336 HydrophobicContact CE1-CG1 3.71Å; F324-V336 HydrophobicContact CZ-CG1 3.87Å; F324-L337 HydrophobicContact CD2-CD2 4.2Å; F324-L337 HydrophobicContact CE2-CD2 3.57Å; F324-L337 HydrophobicContact CE2-CG 4.32Å; F324-L337 HydrophobicContact CZ-CD2 4.04Å; F324-L340 HydrophobicContact CZ-CD1 4.47Å
325	Y	96.6	Very high	95.3	Very high	23 Å²	23	37.5 Å²	37.5	9%	0.09	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	97.6	168.4	-58.9	-64.9	0	0	0	110.6	E67 T231 L233 I260 F261 H323	E67-Y325 HydrophobicContact CB-CD1 4.17Å; E67-Y325 HydrophobicContact CG-CD1 4.46Å; E67-Y325 WeakPolarHBondContact OE1-CD1 3.46Å; E67-Y325 VanDerWaalsContact OE2-CE1 3.32Å; E67-Y325 WeakPolarHBondContact OE2-CE1 3.29Å; T231-Y325 PolarHBondContact O-OH 3.33Å; L233-Y325 HydrophobicContact CB-CD2 4.17Å; L233-Y325 HydrophobicContact CB-CE2 3.87Å; I260-Y325 WeakPolarHBondContact O-CD2 3.28Å; I260-Y325 PolarHBondContact O-N 3.07Å; F261-Y325 HydrophobicContact CB-CD2 4.17Å; H323-Y325 AromaticContact CD2-CE1 3.91Å; H323-Y325 AromaticContact NE2-CE1 3.7Å
326	T	95.8	Very high	95.4	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.173	C	C	.	.			trans	-77.8	-23.8	-170.6	72.6	0	0	0	0	113.9	L66 E67 F68 M87 Q264 F324 N328 R329 T333	L66-T326 HydrophobicContact CB-CG2 4.03Å; L66-T326 HydrophobicContact CD2-CG2 4Å; E67-T326 WeakPolarHBondContact O-CB 3.42Å; E67-T326 WeakPolarHBondContact O-CG2 3.26Å; E67-T326 PolarHBondContact O-N 3.06Å; E67-T326 PolarHBondContact O-OG1 3.21Å; F68-T326 VanDerWaalsContact CD1-OG1 3.27Å; F68-T326 WeakPolarHBondContact CD1-OG1 3.36Å; F68-T326 HydrophobicContact CE1-CG2 4.08Å; F68-T326 WeakPolarHBondContact CE1-OG1 3.25Å; F68-T326 HydrophobicContact CZ-CG2 4.17Å; M87-T326 HydrophobicContact CE-CG2 4.15Å; Q264-T326 PolarHBondContact NE2-O 3.38Å; F324-T326 PolarHBondContact O-N 3.37Å; T326-N328 PolarHBondContact O-N 3.18Å; T326-N328 PolarHBondContact OG1-N 3.12Å; T326-R329 PolarHBondContact O-N 2.83Å; T326-T333 HydrophobicContact CG2-CG2 4.44Å
327	L	92.3	Very high	95.5	Very high	58 Å²	58	29.2 Å²	29.2	30%	0.304	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.9	36.8	-165.9	-58.3	-174.3	0	0	0	113.1	F69 F261 R329	F69-L327 HydrophobicContact CE1-CB 4.34Å; F69-L327 WeakPolarHBondContact CE1-O 3.21Å; F261-L327 HydrophobicContact CD2-CD1 4.47Å; F261-L327 HydrophobicContact CE2-CD1 3.46Å; F261-L327 VanDerWaalsContact CE2-CD1 3.46Å; F261-L327 HydrophobicContact CE2-CG 3.95Å; F261-L327 HydrophobicContact CZ-CD1 3.96Å; L327-R329 PolarHBondContact O-N 3.35Å
328	N	94.1	Very high	95.7	Very high	23 Å²	23	30.1 Å²	30.1	12%	0.123	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.3	28	-176.8	-65.1	-1.9	0	0	0	113.9	F68 F69 L80 R83 T326	F68-N328 WeakPolarHBondContact CA-OD1 3.48Å; F68-N328 WeakPolarHBondContact CB-OD1 3.43Å; F68-N328 WeakPolarHBondContact CD1-OD1 3.3Å; F69-N328 HydrophobicContact CD1-CB 4.34Å; F69-N328 WeakPolarHBondContact CD2-ND2 3.15Å; F69-N328 HydrophobicContact CE1-CB 3.76Å; F69-N328 VanDerWaalsContact CE1-CG 3.48Å; F69-N328 HydrophobicContact CE2-CB 4.41Å; F69-N328 WeakPolarHBondContact CE2-ND2 3.37Å; F69-N328 WeakPolarHBondContact CG-ND2 3.36Å; F69-N328 HydrophobicContact CZ-CB 3.78Å; F69-N328 VanDerWaalsContact CZ-ND2 3.34Å; F69-N328 WeakPolarHBondContact CZ-ND2 3.42Å; F69-N328 PolarHBondContact N-OD1 3.42Å; F69-N328 PolarHBondContact O-ND2 2.77Å; L80-N328 HydrophobicContact CD1-CB 4.47Å; R83-N328 PolarHBondContact NE-O 3.13Å; R83-N328 PolarHBondContact NH2-O 2.86Å; T326-N328 PolarHBondContact O-N 3.18Å; T326-N328 PolarHBondContact OG1-N 3.12Å
329	R	92.1	Very high	96	Very high	96 Å²	96	28.7 Å²	28.7	36%	0.362	14%	0.136	S	C	.	.			trans	-122.2	135.9	175.3	-61.4	-179.5	82.4	-172	6.9	109.7	Q264 T326 L327	Q264-R329 VanDerWaalsContact CB-NH1 3.33Å; Q264-R329 PolarHBondContact O-NH1 3.33Å; Q264-R329 VanDerWaalsContact O-NH1 3.08Å; Q264-R329 VanDerWaalsContact OE1-CD 3.31Å; T326-R329 PolarHBondContact O-N 2.83Å; L327-R329 PolarHBondContact O-N 3.35Å
330	E	94	Very high	96.1	Very high	39 Å²	39	29.7 Å²	29.7	18%	0.182	14%	0.141	C	C	.	.			trans	-95.6	-33.9	-172.5	72.8	-152.7	140.2	0	0	114.2	R83 R86 M87 A332 T333 M334	R83-E330 HydrophobicContact CG-CB 4.34Å; R83-E330 VanDerWaalsContact NH1-CB 3.33Å; R83-E330 IonicContact NH1-OE1 2.61Å; R83-E330 PolarHBondContact NH1-OE1 3.5Å; R83-E330 IonicContact NH1-OE2 2.7Å; R83-E330 PolarHBondContact NH1-OE2 2.78Å; R86-E330 IonicContact CZ-OE1 2.65Å; R86-E330 IonicContact CZ-OE2 2.71Å; R86-E330 VanDerWaalsContact CZ-OE2 3.26Å; R86-E330 IonicContact NE-OE1 3.18Å; R86-E330 IonicContact NE-OE2 2.75Å; R86-E330 PolarHBondContact NE-OE2 2.64Å; R86-E330 IonicContact NH2-OE1 2.95Å; R86-E330 PolarHBondContact NH2-OE1 3.42Å; R86-E330 IonicContact NH2-OE2 3.89Å; R86-E330 PolarHBondContact NH2-OE2 3.06Å; M87-E330 HydrophobicContact CE-CB 4.29Å; M87-E330 HydrophobicContact CG-CB 3.94Å; M87-E330 HydrophobicContact SD-CB 3.61Å; E330-A332 PolarHBondContact O-N 3.15Å; E330-T333 PolarHBondContact O-N 3.24Å; E330-M334 HydrophobicContact CB-CG 4.3Å; E330-M334 HydrophobicContact CB-SD 3.7Å; E330-M334 HydrophobicContact CG-SD 3.82Å; E330-M334 WeakPolarHBondContact O-CB 3.43Å; E330-M334 WeakPolarHBondContact O-CG 3.27Å; E330-M334 PolarHBondContact O-N 3.04Å
331	V	94.8	Very high	96.5	Very high	85 Å²	85	31.8 Å²	31.8	52%	0.515	17%	0.166	S	C	.	.	H	α-helix	trans	-58.6	-52.1	-164.6	178.6	0	0	0	0	113	E335	V331-E335 WeakPolarHBondContact O-CB 3.38Å; V331-E335 PolarHBondContact O-N 3.28Å; V331-E335 VanDerWaalsContact O-N 3.13Å
332	A	96	Very high	96.4	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-66.8	-47.3	-176.2	0	0	0	0	0	111.5	P262 Q264 R299 I303 E330 E335 V336	P262-A332 HydrophobicContact CB-CB 4.11Å; Q264-A332 HydrophobicContact CG-CB 3.84Å; R299-A332 HydrophobicContact CG-CB 4.16Å; I303-A332 HydrophobicContact CD1-CB 4.42Å; I303-A332 HydrophobicContact CG1-CB 4.05Å; E330-A332 PolarHBondContact O-N 3.15Å; A332-E335 PolarHBondContact O-N 3.48Å; A332-V336 VanDerWaalsContact O-CG2 3.28Å; A332-V336 WeakPolarHBondContact O-CG2 3.39Å; A332-V336 PolarHBondContact O-N 2.99Å
333	T	97.5	Very high	96.3	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-63.8	-45.4	-178.9	-56.5	0	0	0	0	112.1	L66 M87 F324 T326 E330 E335 V336 L337	L66-T333 HydrophobicContact CD2-CG2 3.57Å; M87-T333 HydrophobicContact CE-CG2 4.19Å; F324-T333 HydrophobicContact CB-CG2 3.76Å; F324-T333 HydrophobicContact CD1-CG2 3.93Å; F324-T333 HydrophobicContact CG-CG2 3.83Å; T326-T333 HydrophobicContact CG2-CG2 4.44Å; E330-T333 PolarHBondContact O-N 3.24Å; T333-E335 VanDerWaalsContact C-N 3.32Å; T333-E335 PolarHBondContact O-N 3.4Å; T333-V336 PolarHBondContact O-N 3.46Å; T333-L337 HydrophobicContact CG2-CD1 3.93Å; T333-L337 HydrophobicContact CG2-CG 4.46Å; T333-L337 VanDerWaalsContact O-CG 3.27Å; T333-L337 WeakPolarHBondContact O-CG 3.23Å; T333-L337 PolarHBondContact O-N 3.01Å
334	M	97.3	Very high	95.9	Very high	24 Å²	24	37.1 Å²	37.1	12%	0.118	20%	0.195	C	C	.	.	H	α-helix	trans	-61.3	-42.3	177.3	-68.8	174.8	82.1	0	0	111.5	M87 E330 L337 R338 W343	M87-M334 HydrophobicContact CE-CG 4.33Å; E330-M334 HydrophobicContact CB-CG 4.3Å; E330-M334 HydrophobicContact CB-SD 3.7Å; E330-M334 HydrophobicContact CG-SD 3.82Å; E330-M334 WeakPolarHBondContact O-CB 3.43Å; E330-M334 WeakPolarHBondContact O-CG 3.27Å; E330-M334 PolarHBondContact O-N 3.04Å; M334-L337 PolarHBondContact O-N 3.18Å; M334-R338 WeakPolarHBondContact O-CG 3.18Å; M334-R338 PolarHBondContact O-N 3.02Å; M334-W343 HydrophobicContact CB-CZ3 4.41Å; M334-W343 HydrophobicContact CE-CH2 3.51Å; M334-W343 HydrophobicContact CE-CZ2 3.42Å; M334-W343 VanDerWaalsContact CE-CZ2 3.42Å; M334-W343 HydrophobicContact CE-CZ3 4.33Å; M334-W343 HydrophobicContact CG-CE3 4.46Å; M334-W343 HydrophobicContact CG-CH2 3.85Å; M334-W343 HydrophobicContact CG-CZ3 3.79Å; M334-W343 HydrophobicContact SD-CH2 4.34Å
335	E	97.7	Very high	95.2	Very high	68 Å²	68	43.1 Å²	43.1	32%	0.318	22%	0.223	S	C	.	.	H	α-helix	trans	-65	-43.4	179	-174.5	57.7	-154.3	0	0	112	I303 V331 A332 T333 L337 R338 Q339	I303-E335 HydrophobicContact CD1-CB 4.13Å; I303-E335 HydrophobicContact CD1-CG 4.08Å; I303-E335 HydrophobicContact CG2-CB 4.44Å; I303-E335 HydrophobicContact CG2-CG 3.89Å; V331-E335 WeakPolarHBondContact O-CB 3.38Å; V331-E335 PolarHBondContact O-N 3.28Å; V331-E335 VanDerWaalsContact O-N 3.13Å; A332-E335 PolarHBondContact O-N 3.48Å; T333-E335 VanDerWaalsContact C-N 3.32Å; T333-E335 PolarHBondContact O-N 3.4Å; E335-L337 PolarHBondContact O-N 3.47Å; E335-R338 PolarHBondContact O-N 2.83Å; E335-Q339 WeakPolarHBondContact O-CG 3.39Å; E335-Q339 PolarHBondContact O-N 2.81Å; E335-Q339 PolarHBondContact OE1-NE2 2.89Å
336	V	98.4	Very high	94.3	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-58.2	-48.6	174	173.1	0	0	0	0	110.4	I303 A306 V307 F324 A332 T333 R338 Q339 L340	I303-V336 HydrophobicContact CB-CG2 4.31Å; I303-V336 HydrophobicContact CG1-CG2 4.33Å; I303-V336 HydrophobicContact CG2-CG2 4.03Å; A306-V336 HydrophobicContact CB-CG1 4.36Å; A306-V336 HydrophobicContact CB-CG2 3.93Å; V307-V336 HydrophobicContact CG2-CB 4.2Å; V307-V336 HydrophobicContact CG2-CG1 3.94Å; V307-V336 HydrophobicContact CG2-CG2 4.13Å; F324-V336 HydrophobicContact CE1-CB 4.33Å; F324-V336 HydrophobicContact CE1-CG1 3.71Å; F324-V336 HydrophobicContact CZ-CG1 3.87Å; A332-V336 VanDerWaalsContact O-CG2 3.28Å; A332-V336 WeakPolarHBondContact O-CG2 3.39Å; A332-V336 PolarHBondContact O-N 2.99Å; T333-V336 PolarHBondContact O-N 3.46Å; V336-R338 PolarHBondContact O-N 2.77Å; V336-Q339 PolarHBondContact O-N 3.48Å; V336-L340 HydrophobicContact CG1-CD1 3.74Å; V336-L340 HydrophobicContact CG1-CG 4.37Å; V336-L340 VanDerWaalsContact O-CG 3.25Å; V336-L340 WeakPolarHBondContact O-CG 3.26Å; V336-L340 PolarHBondContact O-N 3.01Å
337	L	98.3	Very high	93.5	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-62.1	-39.3	-179.5	-70.6	168.5	0	0	0	112.9	F64 L66 F324 T333 M334 E335 L340 G341 L342 W343	F64-L337 HydrophobicContact CB-CD2 3.65Å; F64-L337 HydrophobicContact CD1-CD1 4.46Å; F64-L337 HydrophobicContact CD1-CD2 3.79Å; F64-L337 HydrophobicContact CD2-CD1 3.56Å; F64-L337 HydrophobicContact CD2-CD2 3.8Å; F64-L337 HydrophobicContact CD2-CG 4.35Å; F64-L337 HydrophobicContact CE1-CD1 4.38Å; F64-L337 HydrophobicContact CE1-CD2 4.39Å; F64-L337 HydrophobicContact CE2-CD1 3.45Å; F64-L337 VanDerWaalsContact CE2-CD1 3.45Å; F64-L337 HydrophobicContact CE2-CD2 4.39Å; F64-L337 HydrophobicContact CG-CD1 4.07Å; F64-L337 HydrophobicContact CG-CD2 3.46Å; F64-L337 VanDerWaalsContact CG-CD2 3.46Å; F64-L337 HydrophobicContact CG-CG 4.42Å; F64-L337 HydrophobicContact CZ-CD1 3.9Å; L66-L337 HydrophobicContact CD2-CD1 4.29Å; F324-L337 HydrophobicContact CD2-CD2 4.2Å; F324-L337 HydrophobicContact CE2-CD2 3.57Å; F324-L337 HydrophobicContact CE2-CG 4.32Å; F324-L337 HydrophobicContact CZ-CD2 4.04Å; T333-L337 HydrophobicContact CG2-CD1 3.93Å; T333-L337 HydrophobicContact CG2-CG 4.46Å; T333-L337 VanDerWaalsContact O-CG 3.27Å; T333-L337 WeakPolarHBondContact O-CG 3.23Å; T333-L337 PolarHBondContact O-N 3.01Å; M334-L337 PolarHBondContact O-N 3.18Å; E335-L337 PolarHBondContact O-N 3.47Å; L337-L340 PolarHBondContact O-N 2.95Å; L337-G341 PolarHBondContact O-N 2.81Å; L337-L342 HydrophobicContact CD2-CB 4.13Å; L337-L342 HydrophobicContact CD2-CD1 4.29Å; L337-L342 PolarHBondContact O-N 3.09Å; L337-W343 HydrophobicContact CB-CB 4.21Å; L337-W343 HydrophobicContact CB-CE3 4.12Å; L337-W343 HydrophobicContact CD1-CE3 3.92Å; L337-W343 HydrophobicContact CD1-CZ3 4.17Å; L337-W343 PolarHBondContact O-N 3.05Å
338	R	97.5	Very high	93	Very high	90 Å²	90	56.3 Å²	56.3	34%	0.34	29%	0.286	S	S	.	.	H	α-helix	trans	-64	-46.2	174.3	-74.8	-175.2	-176.6	109	3.4	112.2	M334 E335 V336 L340 G341 W343 E345	M334-R338 WeakPolarHBondContact O-CG 3.18Å; M334-R338 PolarHBondContact O-N 3.02Å; E335-R338 PolarHBondContact O-N 2.83Å; V336-R338 PolarHBondContact O-N 2.77Å; R338-L340 PolarHBondContact O-N 3.23Å; R338-G341 PolarHBondContact O-N 2.77Å; R338-W343 HydrophobicContact CB-CB 4.44Å; R338-W343 HydrophobicContact CG-CB 3.7Å; R338-W343 HydrophobicContact CG-CG 3.78Å; R338-E345 WeakPolarHBondContact CD-OE1 3.33Å; R338-E345 WeakPolarHBondContact CG-OE1 3.47Å; R338-E345 IonicContact NE-OE1 3.61Å; R338-E345 PolarHBondContact NE-OE1 2.9Å; R338-E345 IonicContact NE-OE2 3.47Å
339	Q	98	Very high	92.7	Very high	70 Å²	70	60.3 Å²	60.3	33%	0.327	30%	0.3	S	S	.	.	H	α-helix	trans	-67.6	-20.9	178.9	-70.5	-170.2	30.9	0	0	113.7	V307 R311 E335 V336	V307-Q339 HydrophobicContact CG1-CB 4.43Å; V307-Q339 HydrophobicContact CG2-CB 3.93Å; R311-Q339 PolarHBondContact NH2-O 3.05Å; E335-Q339 WeakPolarHBondContact O-CG 3.39Å; E335-Q339 PolarHBondContact O-N 2.81Å; E335-Q339 PolarHBondContact OE1-NE2 2.89Å; V336-Q339 PolarHBondContact O-N 3.48Å
340	L	97.3	Very high	92.6	Very high	26 Å²	26	58.4 Å²	58.4	14%	0.136	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-7.8	171.3	-65.7	172.7	0	0	0	113.1	V307 C310 R311 L314 L322 F324 V336 L337 R338 L342	V307-L340 HydrophobicContact CG1-CD2 4.28Å; C310-L340 HydrophobicContact CB-CD1 3.55Å; C310-L340 HydrophobicContact CB-CD2 3.95Å; C310-L340 HydrophobicContact CB-CG 4.39Å; R311-L340 HydrophobicContact CG-CD2 3.72Å; L314-L340 HydrophobicContact CD1-CD2 4.38Å; L322-L340 HydrophobicContact CD1-CD1 3.89Å; F324-L340 HydrophobicContact CZ-CD1 4.47Å; V336-L340 HydrophobicContact CG1-CD1 3.74Å; V336-L340 HydrophobicContact CG1-CG 4.37Å; V336-L340 VanDerWaalsContact O-CG 3.25Å; V336-L340 WeakPolarHBondContact O-CG 3.26Å; V336-L340 PolarHBondContact O-N 3.01Å; L337-L340 PolarHBondContact O-N 2.95Å; R338-L340 PolarHBondContact O-N 3.23Å; L340-L342 HydrophobicContact CB-CD1 4.17Å; L340-L342 HydrophobicContact CB-CG 4.08Å; L340-L342 HydrophobicContact CD1-CD1 4.33Å; L340-L342 PolarHBondContact O-N 3.36Å
341	G	95.9	Very high	92.5	Very high	65 Å²	65	56.6 Å²	56.6	67%	0.67	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	71	17.2	-176.2	0	0	0	0	0	114.2	L337 R338	L337-G341 PolarHBondContact O-N 2.81Å; R338-G341 PolarHBondContact O-N 2.77Å
342	L	95.9	Very high	92.3	Very high	24 Å²	24	54.6 Å²	54.6	13%	0.126	28%	0.28	C	S	.	.			trans	-92.7	-11.2	-179.6	-65.1	178.1	0	0	0	113.1	Q62 F64 L314 L322 L337 L340	Q62-L342 HydrophobicContact CB-CD2 3.76Å; F64-L342 HydrophobicContact CD1-CB 4.2Å; F64-L342 WeakPolarHBondContact CE1-O 3.36Å; L314-L342 HydrophobicContact CD1-CD1 4.23Å; L322-L342 HydrophobicContact CD1-CD1 4.01Å; L337-L342 HydrophobicContact CD2-CB 4.13Å; L337-L342 HydrophobicContact CD2-CD1 4.29Å; L337-L342 PolarHBondContact O-N 3.09Å; L340-L342 HydrophobicContact CB-CD1 4.17Å; L340-L342 HydrophobicContact CB-CG 4.08Å; L340-L342 HydrophobicContact CD1-CD1 4.33Å; L340-L342 PolarHBondContact O-N 3.36Å
343	W	95.5	Very high	92.1	Very high	20 Å²	20	56.3 Å²	56.3	8%	0.076	29%	0.287	C	S	.	.	S	Bend	trans	-87.6	125.9	179.9	-172.7	-86.7	0	0	0	111.8	F64 M87 M334 L337 R338 E345	F64-W343 HydrophobicContact CZ-CE3 4.36Å; F64-W343 HydrophobicContact CZ-CZ3 4.49Å; M87-W343 WeakPolarHBondContact O-CH2 3.34Å; M334-W343 HydrophobicContact CB-CZ3 4.41Å; M334-W343 HydrophobicContact CE-CH2 3.51Å; M334-W343 HydrophobicContact CE-CZ2 3.42Å; M334-W343 VanDerWaalsContact CE-CZ2 3.42Å; M334-W343 HydrophobicContact CE-CZ3 4.33Å; M334-W343 HydrophobicContact CG-CE3 4.46Å; M334-W343 HydrophobicContact CG-CH2 3.85Å; M334-W343 HydrophobicContact CG-CZ3 3.79Å; M334-W343 HydrophobicContact SD-CH2 4.34Å; L337-W343 HydrophobicContact CB-CB 4.21Å; L337-W343 HydrophobicContact CB-CE3 4.12Å; L337-W343 HydrophobicContact CD1-CE3 3.92Å; L337-W343 HydrophobicContact CD1-CZ3 4.17Å; L337-W343 PolarHBondContact O-N 3.05Å; R338-W343 HydrophobicContact CB-CB 4.44Å; R338-W343 HydrophobicContact CG-CB 3.7Å; R338-W343 HydrophobicContact CG-CG 3.78Å; W343-E345 PolarHBondContact O-N 3.25Å
344	V	90.9	Very high	91.6	Very high	69 Å²	69	59.6 Å²	59.6	42%	0.418	31%	0.314	S	S	.	.			trans	-80.9	114.2	172.3	-175.3	0	0	0	0	109.8	G90 P347	G90-V344 PolarHBondContact O-N 2.86Å; G90-V344 VanDerWaalsContact O-N 3.16Å; V344-P347 HydrophobicContact CG1-CB 3.97Å
345	E	83.1	Confident	91.1	Very high	125 Å²	125	59.8 Å²	59.8	58%	0.584	32%	0.316	S	S	*	.	S	Bend	trans	-78.4	-37.2	-177.6	-69.3	-65.4	169.7	0	0	113.7	R338 W343	R338-E345 WeakPolarHBondContact CD-OE1 3.33Å; R338-E345 WeakPolarHBondContact CG-OE1 3.47Å; R338-E345 IonicContact NE-OE1 3.61Å; R338-E345 PolarHBondContact NE-OE1 2.9Å; R338-E345 IonicContact NE-OE2 3.47Å; W343-E345 PolarHBondContact O-N 3.25Å
346	D	78.4	Confident	90.7	Very high	133 Å²	133	57 Å²	57	71%	0.711	31%	0.305	S	S	*	.	S	Bend	trans	-129.1	75.5	-179.2	-167.8	9.1	0	0	0	110.3	R348	D346-R348 PolarHBondContact O-N 3.2Å
347	P	79.1	Confident	90.3	Very high	58 Å²	58	58.3 Å²	58.3	38%	0.377	32%	0.315	S	S	.	.	P	Polyproline II helix	trans	-67.5	122	-179.3	28.7	-34.9	0	0	0	109.6	S89 V344 R349	S89-P347 WeakPolarHBondContact O-CG 3.48Å; V344-P347 HydrophobicContact CG1-CB 3.97Å; P347-R349 PolarHBondContact O-N 3.26Å
348	R	82.1	Confident	89.8	Confident	167 Å²	167	59 Å²	59	63%	0.63	32%	0.319	S	S	*	.	P	Polyproline II helix	trans	-65.8	132.1	174.4	-65.1	-173.9	-150.4	157.3	8.1	110.1	D346 P350 P507	D346-R348 PolarHBondContact O-N 3.2Å; R348-P350 WeakPolarHBondContact O-CD 3.36Å; R348-P507 VanDerWaalsContact NH1-CB 3.34Å
349	R	87.6	Confident	89.4	Confident	107 Å²	107	56.5 Å²	56.5	40%	0.404	31%	0.314	S	S	.	.	P	Polyproline II helix	trans	-71.7	125.1	175	-62.5	178.7	-67.2	-175.8	-4.1	109.4	P347 L351 V501 G503 W504 G505	P347-R349 PolarHBondContact O-N 3.26Å; R349-L351 VanDerWaalsContact C-N 3.33Å; R349-L351 WeakPolarHBondContact CB-O 3.35Å; R349-V501 PolarHBondContact NH2-O 2.99Å; R349-G503 PolarHBondContact NH2-O 3.41Å; R349-W504 HydrophobicContact CB-CB 4.47Å; R349-W504 CarbonylContact O-C 3.57Å; R349-W504 VanDerWaalsContact O-CA 3.23Å; R349-W504 WeakPolarHBondContact O-CA 3.43Å; R349-W504 WeakPolarHBondContact O-CB 3.4Å; R349-G505 PolarHBondContact O-N 3.3Å
350	P	88.4	Confident	88.9	Confident	56 Å²	56	58.8 Å²	58.8	36%	0.364	32%	0.323	S	S	.	.	S	Bend	trans	-72.5	-29.8	-179.7	27.6	-34.2	0	0	0	112.7	R348 V355 G505	R348-P350 WeakPolarHBondContact O-CD 3.36Å; P350-V355 HydrophobicContact CG-CG2 4.33Å; P350-G505 WeakPolarHBondContact O-CA 3.38Å; P350-G505 PolarHBondContact O-N 2.87Å
351	L	92.5	Very high	88.5	Confident	1 Å²	1	57.8 Å²	57.8	1%	0.005	32%	0.317	C	S	.	.	S	Bend	trans	-137.5	166.5	173.5	-68.5	178.9	0	0	0	108.3	L41 R349 W353 V355 W504 V574 P576	L41-L351 HydrophobicContact CD1-CD1 4.12Å; L41-L351 HydrophobicContact CD1-CD2 3.91Å; L41-L351 HydrophobicContact CD1-CG 4.21Å; R349-L351 VanDerWaalsContact C-N 3.33Å; R349-L351 WeakPolarHBondContact CB-O 3.35Å; L351-W353 HydrophobicContact CB-CD2 4.38Å; L351-W353 HydrophobicContact CD1-CD2 4.41Å; L351-W353 HydrophobicContact CD1-CE3 4.34Å; L351-W353 HydrophobicContact CD1-CH2 3.54Å; L351-W353 HydrophobicContact CD1-CZ2 3.57Å; L351-W353 HydrophobicContact CD1-CZ3 3.94Å; L351-W353 PolarHBondContact O-N 2.95Å; L351-V355 HydrophobicContact CD1-CG2 3.98Å; L351-V355 HydrophobicContact CG-CG2 4.44Å; L351-W504 HydrophobicContact CD2-CE3 4.16Å; L351-W504 HydrophobicContact CD2-CZ3 3.94Å; L351-V574 HydrophobicContact CD2-CG1 4.07Å; L351-P576 HydrophobicContact CD2-CB 3.98Å; L351-P576 HydrophobicContact CD2-CG 4.41Å
352	P	91.8	Very high	87.9	Confident	44 Å²	44	58 Å²	58	29%	0.286	30%	0.3	S	S	.	.	S	Bend	trans	-60	-12.1	174.3	-25.2	35.9	0	0	0	114.6	W504 T564 P576	P352-W504 HydrophobicContact CG-CD2 3.95Å; P352-W504 HydrophobicContact CG-CG 3.95Å; P352-W504 HydrophobicContact CG-CZ2 4.44Å; P352-T564 HydrophobicContact CG-CG2 4.07Å; P352-P576 VanDerWaalsContact CD-CG 3.43Å; P352-P576 HydrophobicContact CG-CB 4.48Å; P352-P576 HydrophobicContact CG-CG 3.69Å
353	W	91.3	Very high	87.4	Confident	36 Å²	36	59.8 Å²	59.8	14%	0.136	31%	0.311	C	S	.	.	S	Bend	trans	-131.8	157.3	179.6	45.6	-100.5	0	0	0	111.6	L351 V355 E364 R367 P576	L351-W353 HydrophobicContact CB-CD2 4.38Å; L351-W353 HydrophobicContact CD1-CD2 4.41Å; L351-W353 HydrophobicContact CD1-CE3 4.34Å; L351-W353 HydrophobicContact CD1-CH2 3.54Å; L351-W353 HydrophobicContact CD1-CZ2 3.57Å; L351-W353 HydrophobicContact CD1-CZ3 3.94Å; L351-W353 PolarHBondContact O-N 2.95Å; W353-V355 HydrophobicContact CE3-CG2 4.22Å; W353-V355 HydrophobicContact CZ3-CB 4.43Å; W353-V355 HydrophobicContact CZ3-CG2 3.88Å; W353-E364 HydrophobicContact CH2-CG 4.12Å; W353-E364 WeakPolarHBondContact CH2-O 3.47Å; W353-R367 HydrophobicContact CD2-CG 4.4Å; W353-R367 VanDerWaalsContact CE3-CZ 3.47Å; W353-R367 VanDerWaalsContact CE3-NH1 3.28Å; W353-R367 HydrophobicContact CH2-CG 4.28Å; W353-R367 HydrophobicContact CZ2-CG 3.74Å; W353-R367 VanDerWaalsContact CZ3-CZ 3.4Å; W353-P576 PolarHBondContact NE1-O 2.99Å; W353-P576 VanDerWaalsContact NE1-O 3.09Å
354	A	86.6	Confident	87.2	Confident	68 Å²	68	59 Å²	59	56%	0.562	31%	0.309	S	S	*	.	P	Polyproline II helix	trans	-70.8	131.9	179.9	0	0	0	0	0	112	R367	A354-R367 PolarHBondContact O-NH1 3.26Å
355	V	87.6	Confident	87.2	Confident	29 Å²	29	56 Å²	56	18%	0.176	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-88.1	137.4	-175.6	-176.1	0	0	0	0	110.4	R45 G125 P350 L351 W353	R45-V355 VanDerWaalsContact NH2-CG2 3.34Å; G125-V355 WeakPolarHBondContact CA-O 3.39Å; P350-V355 HydrophobicContact CG-CG2 4.33Å; L351-V355 HydrophobicContact CD1-CG2 3.98Å; L351-V355 HydrophobicContact CG-CG2 4.44Å; W353-V355 HydrophobicContact CE3-CG2 4.22Å; W353-V355 HydrophobicContact CZ3-CB 4.43Å; W353-V355 HydrophobicContact CZ3-CG2 3.88Å
356	S	88.3	Confident	87.6	Confident	10 Å²	10	50.1 Å²	50.1	7%	0.07	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-73.3	142.3	175.3	-170.8	0	0	0	0	110.7	N122 N358	N122-S356 PolarHBondContact O-OG 3.02Å; S356-N358 VanDerWaalsContact C-N 3.25Å; S356-N358 PolarHBondContact OG-N 3.22Å
357	A	89.2	Confident	88.4	Confident	26 Å²	26	44.3 Å²	44.3	22%	0.215	23%	0.231	C	C	.	.			trans	-84.7	-0.9	173.3	0	0	0	0	0	112.6	V121	V121-A357 HydrophobicContact CG1-CB 4.07Å; V121-A357 PolarHBondContact O-N 3.47Å
358	N	89.7	Confident	89.2	Confident	16 Å²	16	41.8 Å²	41.8	9%	0.086	22%	0.215	C	C	.	.			trans	-63.3	127.2	179.8	-170.5	-47.8	0	0	0	110.9	V121 N122 S356 K360 R361	V121-N358 HydrophobicContact CG1-CB 4.3Å; N122-N358 WeakPolarHBondContact OD1-CB 3.46Å; N122-N358 PolarHBondContact OD1-ND2 2.95Å; S356-N358 VanDerWaalsContact C-N 3.25Å; S356-N358 PolarHBondContact OG-N 3.22Å; N358-K360 PolarHBondContact O-N 3.16Å; N358-K360 VanDerWaalsContact O-N 3.11Å; N358-K360 WeakPolarHBondContact OD1-CB 3.39Å; N358-K360 PolarHBondContact OD1-N 3.04Å; N358-R361 PolarHBondContact O-N 3.34Å
359	P	87.7	Confident	89.9	Confident	37 Å²	37	34.2 Å²	34.2	24%	0.24	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-54.6	-32	-179.8	-27.8	35.2	0	0	0	115.3	G153 K155 R361 K362	G153-P359 VanDerWaalsContact O-CD 3.22Å; G153-P359 WeakPolarHBondContact O-CD 3.33Å; K155-P359 HydrophobicContact CD-CG 4.49Å; P359-R361 VanDerWaalsContact C-N 3.27Å; P359-R361 PolarHBondContact O-N 3.21Å; P359-K362 WeakPolarHBondContact O-CD 3.36Å; P359-K362 VanDerWaalsContact O-CG 3.31Å; P359-K362 WeakPolarHBondContact O-CG 3.36Å
360	K	87.2	Confident	90.4	Very high	117 Å²	117	29.4 Å²	29.4	51%	0.509	17%	0.168	S	C	.	.	G	3₁₀ helix	trans	-68	-26.9	178.4	-66.4	-174.3	175.3	-174.8	0	112.9	N358 F388	N358-K360 PolarHBondContact O-N 3.16Å; N358-K360 VanDerWaalsContact O-N 3.11Å; N358-K360 WeakPolarHBondContact OD1-CB 3.39Å; N358-K360 PolarHBondContact OD1-N 3.04Å; K360-F388 HydrophobicContact CB-CE2 4.1Å; K360-F388 WeakPolarHBondContact O-CD2 3.19Å
361	R	89	Confident	90.7	Very high	5 Å²	5	27 Å²	27	2%	0.019	15%	0.152	C	C	.	.	G	3₁₀ helix	trans	-97	7.4	-175.4	-68.2	179.5	177.2	-91.2	-0.4	114	N358 P359 V363 E364 I379 T382 F388	N358-R361 PolarHBondContact O-N 3.34Å; P359-R361 VanDerWaalsContact C-N 3.27Å; P359-R361 PolarHBondContact O-N 3.21Å; R361-V363 PolarHBondContact O-N 3.25Å; R361-E364 HydrophobicContact CB-CB 4.47Å; R361-E364 IonicContact NH1-OE1 2.81Å; R361-E364 IonicContact NH1-OE2 3.71Å; R361-E364 PolarHBondContact NH1-OE2 2.88Å; R361-E364 VanDerWaalsContact NH1-OE2 3.17Å; R361-E364 VanDerWaalsContact O-CB 3.25Å; R361-E364 WeakPolarHBondContact O-CB 3.44Å; R361-E364 PolarHBondContact O-N 2.59Å; R361-I379 PolarHBondContact NH2-O 3.44Å; R361-T382 PolarHBondContact NH1-OG1 2.95Å; R361-T382 VanDerWaalsContact NH1-OG1 3.09Å; R361-T382 PolarHBondContact NH2-O 3.25Å; R361-T382 PolarHBondContact NH2-OG1 2.63Å; R361-F388 HydrophobicContact CB-CD2 4.47Å; R361-F388 HydrophobicContact CG-CD1 4.09Å; R361-F388 HydrophobicContact CG-CD2 3.86Å; R361-F388 HydrophobicContact CG-CE1 3.88Å; R361-F388 HydrophobicContact CG-CE2 3.6Å; R361-F388 HydrophobicContact CG-CG 4.09Å; R361-F388 HydrophobicContact CG-CZ 3.61Å
362	K	84.6	Confident	90.7	Very high	71 Å²	71	29.9 Å²	29.9	31%	0.309	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-29.4	-175.2	-77.8	176.2	174.7	-177.5	0	114.5	S46 P359	S46-K362 PolarHBondContact O-NZ 3.38Å; P359-K362 WeakPolarHBondContact O-CD 3.36Å; P359-K362 VanDerWaalsContact O-CG 3.31Å; P359-K362 WeakPolarHBondContact O-CG 3.36Å
363	V	85.4	Confident	90.7	Very high	60 Å²	60	29.9 Å²	29.9	36%	0.364	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.6	-5.9	-177.9	-60.3	0	0	0	0	113.3	L40 R361 D365 N390	L40-V363 HydrophobicContact CD2-CG1 4.29Å; R361-V363 PolarHBondContact O-N 3.25Å; V363-D365 PolarHBondContact O-N 3.03Å; V363-N390 HydrophobicContact CB-CB 4.44Å; V363-N390 WeakPolarHBondContact O-CB 3.41Å
364	E	90.6	Very high	90.7	Very high	4 Å²	4	29 Å²	29	2%	0.019	17%	0.174	C	C	.	.			trans	-67.8	115.6	-179.2	-170.7	-176.4	-172.5	0	0	109.9	W353 R361 R367 Y378 F388 P389	W353-E364 HydrophobicContact CH2-CG 4.12Å; W353-E364 WeakPolarHBondContact CH2-O 3.47Å; R361-E364 HydrophobicContact CB-CB 4.47Å; R361-E364 IonicContact NH1-OE1 2.81Å; R361-E364 IonicContact NH1-OE2 3.71Å; R361-E364 PolarHBondContact NH1-OE2 2.88Å; R361-E364 VanDerWaalsContact NH1-OE2 3.17Å; R361-E364 VanDerWaalsContact O-CB 3.25Å; R361-E364 WeakPolarHBondContact O-CB 3.44Å; R361-E364 PolarHBondContact O-N 2.59Å; E364-R367 IonicContact OE1-CZ 2.84Å; E364-R367 IonicContact OE1-NE 3.26Å; E364-R367 PolarHBondContact OE1-NE 3.46Å; E364-R367 IonicContact OE1-NH2 2.96Å; E364-R367 PolarHBondContact OE1-NH2 2.71Å; E364-R367 IonicContact OE2-CZ 3.89Å; E364-R367 IonicContact OE2-NE 3.25Å; E364-R367 IonicContact OE2-NH2 3.8Å; E364-R367 PolarHBondContact OE2-NH2 3.31Å; E364-Y378 WeakPolarHBondContact OE1-CE1 3.39Å; E364-Y378 PolarHBondContact OE1-OH 2.78Å; E364-F388 HydrophobicContact CB-CB 3.87Å; E364-F388 HydrophobicContact CB-CG 4.46Å; E364-F388 HydrophobicContact CG-CB 4.21Å; E364-P389 WeakPolarHBondContact CA-O 3.28Å
365	D	90.5	Very high	90.8	Very high	7 Å²	7	28.2 Å²	28.2	4%	0.037	16%	0.163	C	C	.	.			trans	-132.8	-1.4	-179.9	71.1	-1.2	0	0	0	114.1	L41 V363 P389 N390 G391 P576	L41-D365 HydrophobicContact CD1-CB 4.08Å; V363-D365 PolarHBondContact O-N 3.03Å; D365-P389 PolarHBondContact N-O 3.39Å; D365-N390 VanDerWaalsContact OD1-CA 3.24Å; D365-N390 WeakPolarHBondContact OD1-CA 3.47Å; D365-G391 VanDerWaalsContact CG-N 3.32Å; D365-G391 PolarHBondContact OD1-N 3.31Å; D365-G391 PolarHBondContact OD2-N 2.99Å; D365-G391 VanDerWaalsContact OD2-N 3.13Å; D365-P576 WeakPolarHBondContact O-CA 3.38Å; D365-P576 VanDerWaalsContact O-CB 3.22Å; D365-P576 WeakPolarHBondContact O-CB 3.32Å
366	V	92.4	Very high	90.6	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	17%	0.165	C	C	.	.			trans	-137.7	135.3	179.7	57.1	0	0	0	0	111.8	P389 W393 Q575 V578	V366-P389 HydrophobicContact CG1-CB 3.59Å; V366-W393 HydrophobicContact CG1-CE3 4.17Å; V366-W393 HydrophobicContact CG2-CB 4.2Å; V366-W393 HydrophobicContact CG2-CE3 4.24Å; V366-W393 VanDerWaalsContact O-CZ3 3.32Å; V366-W393 WeakPolarHBondContact O-CZ3 3.32Å; V366-Q575 VanDerWaalsContact CG2-O 3.24Å; V366-Q575 WeakPolarHBondContact CG2-O 3.45Å; V366-V578 HydrophobicContact CG2-CG1 3.77Å; V366-V578 HydrophobicContact CG2-CG2 4.39Å
367	R	94.9	Very high	90.6	Very high	12 Å²	12	29 Å²	29	5%	0.045	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	155	179.4	-66.2	-174.2	174.1	165.7	-0.3	112.6	W353 A354 E364 Y378 P576 T577 V578	W353-R367 HydrophobicContact CD2-CG 4.4Å; W353-R367 VanDerWaalsContact CE3-CZ 3.47Å; W353-R367 VanDerWaalsContact CE3-NH1 3.28Å; W353-R367 HydrophobicContact CH2-CG 4.28Å; W353-R367 HydrophobicContact CZ2-CG 3.74Å; W353-R367 VanDerWaalsContact CZ3-CZ 3.4Å; A354-R367 PolarHBondContact O-NH1 3.26Å; E364-R367 IonicContact OE1-CZ 2.84Å; E364-R367 IonicContact OE1-NE 3.26Å; E364-R367 PolarHBondContact OE1-NE 3.46Å; E364-R367 IonicContact OE1-NH2 2.96Å; E364-R367 PolarHBondContact OE1-NH2 2.71Å; E364-R367 IonicContact OE2-CZ 3.89Å; E364-R367 IonicContact OE2-NE 3.25Å; E364-R367 IonicContact OE2-NH2 3.8Å; E364-R367 PolarHBondContact OE2-NH2 3.31Å; R367-Y378 HydrophobicContact CG-CE1 3.93Å; R367-Y378 HydrophobicContact CG-CE2 4.43Å; R367-P576 PolarHBondContact N-O 3.5Å; R367-T577 WeakPolarHBondContact O-CA 3.31Å; R367-V578 PolarHBondContact O-N 3.38Å
368	P	95.9	Very high	90.6	Very high	5 Å²	5	27.8 Å²	27.8	3%	0.032	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	140.9	166	-16.2	32.6	0	0	0	110.7	F370 W371 W393 F401 V578	P368-F370 HydrophobicContact CB-CD2 3.65Å; P368-F370 HydrophobicContact CB-CE2 3.9Å; P368-F370 PolarHBondContact O-N 3.47Å; P368-W371 HydrophobicContact CB-CE3 4.47Å; P368-W371 HydrophobicContact CB-CZ3 4.38Å; P368-W393 VanDerWaalsContact CD-CH2 3.47Å; P368-W393 HydrophobicContact CG-CH2 3.69Å; P368-W393 HydrophobicContact CG-CZ2 3.62Å; P368-W393 HydrophobicContact CG-CZ3 4.17Å; P368-F401 HydrophobicContact CG-CZ 4.49Å; P368-V578 CarbonylContact C-O 3.5Å; P368-V578 WeakPolarHBondContact CA-O 3.39Å
369	I	97.5	Very high	90.6	Very high	8 Å²	8	27.4 Å²	27.4	4%	0.041	15%	0.151	C	C	.	.	G	3₁₀ helix	trans	-65.1	-21	-176.2	-163.2	164.5	0	0	0	114.2	W371 A372 N487 Q489 Y516 V563 T577 V578 V579	I369-W371 VanDerWaalsContact C-N 3.28Å; I369-W371 PolarHBondContact O-N 3.47Å; I369-A372 VanDerWaalsContact O-CB 3.24Å; I369-A372 WeakPolarHBondContact O-CB 3.31Å; I369-A372 PolarHBondContact O-N 3.35Å; I369-N487 PolarHBondContact O-ND2 2.89Å; I369-N487 VanDerWaalsContact O-ND2 3.09Å; I369-Q489 HydrophobicContact CD1-CG 4.16Å; I369-Y516 HydrophobicContact CD1-CD1 3.75Å; I369-Y516 HydrophobicContact CD1-CE1 4.15Å; I369-Y516 HydrophobicContact CD1-CG 3.99Å; I369-Y516 HydrophobicContact CG1-CD1 4.47Å; I369-Y516 HydrophobicContact CG1-CE1 4.41Å; I369-Y516 HydrophobicContact CG2-CD1 4.48Å; I369-Y516 HydrophobicContact CG2-CD2 4.48Å; I369-Y516 HydrophobicContact CG2-CE1 3.89Å; I369-Y516 HydrophobicContact CG2-CE2 3.87Å; I369-V563 HydrophobicContact CD1-CG2 4.14Å; I369-T577 HydrophobicContact CB-CG2 3.56Å; I369-T577 HydrophobicContact CD1-CG2 3.94Å; I369-T577 HydrophobicContact CG1-CG2 3.72Å; I369-V578 PolarHBondContact N-O 3.48Å; I369-V579 HydrophobicContact CG2-CG2 3.8Å
370	F	96.8	Very high	90.4	Very high	5 Å²	5	26.8 Å²	26.8	2%	0.022	14%	0.144	C	C	.	.	G	3₁₀ helix	trans	-59.9	-33.8	-168.7	-46.7	-54.1	0	0	0	114.1	P368 Y516 V579 D580 F584 W587	P368-F370 HydrophobicContact CB-CD2 3.65Å; P368-F370 HydrophobicContact CB-CE2 3.9Å; P368-F370 PolarHBondContact O-N 3.47Å; F370-Y516 WeakPolarHBondContact CD1-OH 3.23Å; F370-Y516 WeakPolarHBondContact CE1-OH 2.87Å; F370-V579 HydrophobicContact CE1-CG1 4.26Å; F370-V579 HydrophobicContact CZ-CG1 4.01Å; F370-D580 WeakPolarHBondContact CE2-O 3.44Å; F370-F584 AromaticContact CD1-CD2 3.65Å; F370-F584 HydrophobicContact CD1-CD2 3.65Å; F370-F584 HydrophobicContact CD1-CE2 4.15Å; F370-F584 HydrophobicContact CD2-CD2 4.41Å; F370-F584 HydrophobicContact CE1-CB 4.32Å; F370-F584 AromaticContact CE1-CD2 3.38Å; F370-F584 HydrophobicContact CE1-CD2 3.38Å; F370-F584 HydrophobicContact CE1-CE2 4.02Å; F370-F584 HydrophobicContact CE1-CG 4.2Å; F370-F584 HydrophobicContact CE2-CB 3.8Å; F370-F584 HydrophobicContact CE2-CD2 4.18Å; F370-F584 HydrophobicContact CE2-CG 4.49Å; F370-F584 HydrophobicContact CG-CD2 4.18Å; F370-F584 HydrophobicContact CZ-CB 3.69Å; F370-F584 AromaticContact CZ-CD2 3.67Å; F370-F584 HydrophobicContact CZ-CD2 3.67Å; F370-F584 HydrophobicContact CZ-CG 4.06Å; F370-W587 HydrophobicContact CB-CB 3.93Å; F370-W587 HydrophobicContact CB-CD2 3.9Å; F370-W587 HydrophobicContact CB-CG 3.52Å; F370-W587 HydrophobicContact CD2-CB 4.31Å; F370-W587 HydrophobicContact CG-CB 4.23Å; F370-W587 AromaticContact CG-CD1 3.92Å; F370-W587 HydrophobicContact CG-CG 4.1Å
371	W	94.8	Very high	90.3	Very high	6 Å²	6	21.7 Å²	21.7	2%	0.023	12%	0.121	C	C	.	.	G	3₁₀ helix	trans	-94.3	18.1	178.7	-71.2	-85.4	0	0	0	114.2	P368 I369 S373 R374 S377 Y378 F401 W587 E590	P368-W371 HydrophobicContact CB-CE3 4.47Å; P368-W371 HydrophobicContact CB-CZ3 4.38Å; I369-W371 VanDerWaalsContact C-N 3.28Å; I369-W371 PolarHBondContact O-N 3.47Å; W371-S373 PolarHBondContact O-N 2.88Å; W371-R374 CarbonylContact O-C 3.44Å; W371-R374 PolarHBondContact O-N 2.93Å; W371-S377 PolarHBondContact NE1-OG 3.11Å; W371-Y378 HydrophobicContact CB-CD2 4.39Å; W371-Y378 HydrophobicContact CB-CG 4.36Å; W371-Y378 HydrophobicContact CD2-CD2 4.18Å; W371-Y378 AromaticContact CE3-CD2 3.92Å; W371-Y378 HydrophobicContact CE3-CD2 3.92Å; W371-Y378 HydrophobicContact CG-CD2 4.38Å; W371-F401 HydrophobicContact CH2-CD1 4.4Å; W371-F401 HydrophobicContact CH2-CE1 4.12Å; W371-F401 HydrophobicContact CH2-CZ 4.35Å; W371-F401 HydrophobicContact CZ3-CE1 4.02Å; W371-F401 HydrophobicContact CZ3-CZ 4.1Å; W371-W587 AromaticContact CD1-CE3 3.99Å; W371-W587 AromaticContact CD1-CZ3 3.97Å; W371-W587 HydrophobicContact CD2-CE3 4.27Å; W371-W587 AromaticContact CE2-CE3 3.62Å; W371-W587 HydrophobicContact CG-CE3 4.45Å; W371-W587 HydrophobicContact CH2-CB 3.53Å; W371-W587 VanDerWaalsContact CZ2-CA 3.47Å; W371-W587 HydrophobicContact CZ2-CB 3.62Å; W371-W587 HydrophobicContact CZ2-CD2 4.43Å; W371-W587 AromaticContact CZ2-CE3 3.9Å; W371-W587 HydrophobicContact CZ2-CE3 3.9Å; W371-W587 HydrophobicContact CZ2-CG 4.39Å; W371-W587 HydrophobicContact CZ3-CB 4.16Å; W371-W587 AromaticContact NE1-CE3 3.45Å; W371-W587 AromaticContact NE1-CZ3 3.76Å; W371-E590 PolarHBondContact NE1-OE2 3.04Å
372	A	93.5	Very high	90.3	Very high	61 Å²	61	21.5 Å²	21.5	50%	0.504	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54	-40.8	-179	0	0	0	0	0	112.9	I369	I369-A372 VanDerWaalsContact O-CB 3.24Å; I369-A372 WeakPolarHBondContact O-CB 3.31Å; I369-A372 PolarHBondContact O-N 3.35Å
373	S	91.3	Very high	90.3	Very high	45 Å²	45	21.9 Å²	21.9	32%	0.315	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88	-3.3	175.8	-63.9	0	0	0	0	113.9	W371 P375 W459 N460	W371-S373 PolarHBondContact O-N 2.88Å; S373-P375 VanDerWaalsContact C-CD 3.45Å; S373-W459 WeakPolarHBondContact CB-O 3.41Å; S373-N460 WeakPolarHBondContact CB-ND2 3.41Å; S373-N460 PolarHBondContact OG-ND2 3.09Å
374	R	91.1	Very high	90.2	Very high	18 Å²	18	24.9 Å²	24.9	7%	0.068	14%	0.137	C	C	.	.			trans	-134.6	52.6	-176.1	-57.9	-170.6	63.1	68.7	8.4	112.1	W371 K376 S377 Y378 Y411 E590	W371-R374 CarbonylContact O-C 3.44Å; W371-R374 PolarHBondContact O-N 2.93Å; R374-K376 PolarHBondContact O-N 3.11Å; R374-K376 VanDerWaalsContact O-N 3.15Å; R374-S377 WeakPolarHBondContact O-CB 3.26Å; R374-S377 PolarHBondContact O-N 3.29Å; R374-S377 VanDerWaalsContact O-N 3.08Å; R374-Y378 PolarHBondContact O-N 2.95Å; R374-Y411 PolarHBondContact NH2-O 3.48Å; R374-E590 IonicContact CZ-OE1 3.81Å; R374-E590 IonicContact NE-OE1 2.78Å; R374-E590 PolarHBondContact NE-OE1 3.02Å; R374-E590 IonicContact NH2-OE1 2.78Å
375	P	88.7	Confident	89.9	Confident	50 Å²	50	25.5 Å²	25.5	33%	0.325	14%	0.139	S	C	.	.	H	α-helix	trans	-61.3	-30.3	-174.2	25.1	-35.3	0	0	0	113	S373 Y378 I379	S373-P375 VanDerWaalsContact C-CD 3.45Å; P375-Y378 PolarHBondContact O-N 2.77Å; P375-I379 WeakPolarHBondContact O-CD1 3.29Å; P375-I379 WeakPolarHBondContact O-CG1 3.48Å; P375-I379 PolarHBondContact O-N 3.23Å
376	K	84.5	Confident	89.5	Confident	53 Å²	53	32 Å²	32	23%	0.23	18%	0.175	C	C	.	.	H	α-helix	trans	-66.6	-40	177.7	-60.1	-179.1	-178.9	169.9	0	112	D85 Y123 R374 I379 Y380 Y411	D85-K376 IonicContact OD2-NZ 3.01Å; Y123-K376 HydrophobicContact CD1-CB 3.84Å; Y123-K376 HydrophobicContact CD1-CG 3.86Å; Y123-K376 HydrophobicContact CE1-CB 4.19Å; Y123-K376 WeakPolarHBondContact CE1-O 3.39Å; Y123-K376 HydrophobicContact CG-CG 4.22Å; R374-K376 PolarHBondContact O-N 3.11Å; R374-K376 VanDerWaalsContact O-N 3.15Å; K376-I379 PolarHBondContact O-N 3.33Å; K376-Y380 PolarHBondContact O-N 3.17Å; K376-Y380 VanDerWaalsContact O-N 3.08Å; K376-Y411 HydrophobicContact CB-CD1 4.06Å; K376-Y411 HydrophobicContact CB-CE1 4.41Å
377	S	86.7	Confident	88.9	Confident	2 Å²	2	38.2 Å²	38.2	1%	0.014	20%	0.204	C	C	.	.	H	α-helix	trans	-59.3	-51.3	171.9	159.2	0	0	0	0	110.2	W371 R374 I379 Y380 R381 Y408 E590	W371-S377 PolarHBondContact NE1-OG 3.11Å; R374-S377 WeakPolarHBondContact O-CB 3.26Å; R374-S377 PolarHBondContact O-N 3.29Å; R374-S377 VanDerWaalsContact O-N 3.08Å; S377-I379 VanDerWaalsContact C-N 3.33Å; S377-I379 PolarHBondContact O-N 3.31Å; S377-Y380 WeakPolarHBondContact O-CB 3.23Å; S377-Y380 PolarHBondContact O-N 3.15Å; S377-Y380 VanDerWaalsContact O-N 3.14Å; S377-R381 VanDerWaalsContact O-CG 3.31Å; S377-R381 WeakPolarHBondContact O-CG 3.47Å; S377-R381 PolarHBondContact O-N 2.96Å; S377-Y408 WeakPolarHBondContact CB-OH 2.94Å; S377-Y408 PolarHBondContact OG-OH 3.42Å; S377-E590 PolarHBondContact OG-OE1 3.29Å; S377-E590 PolarHBondContact OG-OE2 3.39Å
378	Y	90.3	Very high	88.5	Confident	2 Å²	2	38.3 Å²	38.3	1%	0.008	20%	0.204	C	C	.	.	H	α-helix	trans	-56.6	-45.7	-179.6	174.1	-88.8	0	0	0	112.8	E364 R367 W371 R374 P375 Y380 R381 T382 F401	E364-Y378 WeakPolarHBondContact OE1-CE1 3.39Å; E364-Y378 PolarHBondContact OE1-OH 2.78Å; R367-Y378 HydrophobicContact CG-CE1 3.93Å; R367-Y378 HydrophobicContact CG-CE2 4.43Å; W371-Y378 HydrophobicContact CB-CD2 4.39Å; W371-Y378 HydrophobicContact CB-CG 4.36Å; W371-Y378 HydrophobicContact CD2-CD2 4.18Å; W371-Y378 AromaticContact CE3-CD2 3.92Å; W371-Y378 HydrophobicContact CE3-CD2 3.92Å; W371-Y378 HydrophobicContact CG-CD2 4.38Å; R374-Y378 PolarHBondContact O-N 2.95Å; P375-Y378 PolarHBondContact O-N 2.77Å; Y378-Y380 VanDerWaalsContact C-N 3.35Å; Y378-Y380 PolarHBondContact O-N 2.66Å; Y378-R381 PolarHBondContact O-N 3.31Å; Y378-T382 HydrophobicContact CD2-CG2 4.38Å; Y378-T382 HydrophobicContact CE1-CG2 4.42Å; Y378-T382 HydrophobicContact CE2-CG2 4Å; Y378-T382 WeakPolarHBondContact O-CB 3.38Å; Y378-T382 WeakPolarHBondContact O-CG2 3.49Å; Y378-T382 PolarHBondContact O-N 3.24Å; Y378-T382 VanDerWaalsContact O-N 3.11Å; Y378-T382 PolarHBondContact O-OG1 2.88Å; Y378-F401 HydrophobicContact CD2-CE1 4.27Å; Y378-F401 HydrophobicContact CE2-CE1 4.08Å
379	I	88.8	Confident	87.9	Confident	8 Å²	8	39.2 Å²	39.2	4%	0.041	21%	0.21	C	C	.	.	H	α-helix	trans	-61.4	-44.8	178.5	-70.4	158	0	0	0	110.7	N122 Y123 R361 P375 K376 S377 T382 Q383	N122-I379 HydrophobicContact CB-CG2 4.46Å; N122-I379 WeakPolarHBondContact O-CD1 3.16Å; Y123-I379 HydrophobicContact CD1-CB 3.98Å; Y123-I379 HydrophobicContact CD1-CD1 3.95Å; Y123-I379 HydrophobicContact CD1-CG2 3.89Å; Y123-I379 HydrophobicContact CE1-CB 3.79Å; Y123-I379 HydrophobicContact CE1-CG2 3.59Å; R361-I379 PolarHBondContact NH2-O 3.44Å; P375-I379 WeakPolarHBondContact O-CD1 3.29Å; P375-I379 WeakPolarHBondContact O-CG1 3.48Å; P375-I379 PolarHBondContact O-N 3.23Å; K376-I379 PolarHBondContact O-N 3.33Å; S377-I379 VanDerWaalsContact C-N 3.33Å; S377-I379 PolarHBondContact O-N 3.31Å; I379-T382 PolarHBondContact O-N 2.91Å; I379-Q383 WeakPolarHBondContact O-CB 3.5Å; I379-Q383 PolarHBondContact O-N 3.29Å
380	Y	84.5	Confident	87.2	Confident	24 Å²	24	41.2 Å²	41.2	9%	0.094	22%	0.221	C	C	.	.	H	α-helix	trans	-61	-48.6	177	178.6	-95	0	0	0	111.6	K376 S377 Y378 T382 Q383 Y407 Y408 Y411	K376-Y380 PolarHBondContact O-N 3.17Å; K376-Y380 VanDerWaalsContact O-N 3.08Å; S377-Y380 WeakPolarHBondContact O-CB 3.23Å; S377-Y380 PolarHBondContact O-N 3.15Å; S377-Y380 VanDerWaalsContact O-N 3.14Å; Y378-Y380 VanDerWaalsContact C-N 3.35Å; Y378-Y380 PolarHBondContact O-N 2.66Å; Y380-T382 PolarHBondContact O-N 3.4Å; Y380-T382 VanDerWaalsContact O-N 3.15Å; Y380-Q383 WeakPolarHBondContact O-CB 3.33Å; Y380-Q383 WeakPolarHBondContact O-CG 3.38Å; Y380-Q383 PolarHBondContact O-N 3.47Å; Y380-Q383 PolarHBondContact O-NE2 3.18Å; Y380-Y407 HydrophobicContact CE2-CD1 4.2Å; Y380-Y408 AromaticContact CD1-CD2 3.48Å; Y380-Y408 HydrophobicContact CD1-CD2 3.48Å; Y380-Y408 VanDerWaalsContact CD1-CD2 3.48Å; Y380-Y408 HydrophobicContact CD1-CE2 4.02Å; Y380-Y408 AromaticContact CE1-CD2 3.66Å; Y380-Y408 HydrophobicContact CE1-CD2 3.66Å; Y380-Y408 HydrophobicContact CE1-CG 4.39Å; Y380-Y408 HydrophobicContact CG-CD2 4.33Å; Y380-Y411 HydrophobicContact CD2-CE2 4.31Å
381	R	85.4	Confident	86.6	Confident	10 Å²	10	41.4 Å²	41.4	4%	0.038	23%	0.225	C	C	.	.	H	α-helix	trans	-67.7	-16.3	-176.9	-64.9	-170.8	76.8	-140.4	9.1	114.4	S377 Y378 F401 G402 Y408 Y586	S377-R381 VanDerWaalsContact O-CG 3.31Å; S377-R381 WeakPolarHBondContact O-CG 3.47Å; S377-R381 PolarHBondContact O-N 2.96Å; Y378-R381 PolarHBondContact O-N 3.31Å; R381-F401 HydrophobicContact CB-CD1 4.23Å; R381-G402 PolarHBondContact NE-O 2.92Å; R381-G402 PolarHBondContact NH2-O 3.02Å; R381-G402 PolarHBondContact O-N 2.97Å; R381-Y408 HydrophobicContact CG-CE2 4.28Å; R381-Y586 PolarHBondContact NH1-O 3.12Å
382	T	87.8	Confident	86.1	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.3	7.9	179.1	58.6	0	0	0	0	112.3	R361 Y378 I379 Y380 D384 W385 F388 F401	R361-T382 PolarHBondContact NH1-OG1 2.95Å; R361-T382 VanDerWaalsContact NH1-OG1 3.09Å; R361-T382 PolarHBondContact NH2-O 3.25Å; R361-T382 PolarHBondContact NH2-OG1 2.63Å; Y378-T382 HydrophobicContact CD2-CG2 4.38Å; Y378-T382 HydrophobicContact CE1-CG2 4.42Å; Y378-T382 HydrophobicContact CE2-CG2 4Å; Y378-T382 WeakPolarHBondContact O-CB 3.38Å; Y378-T382 WeakPolarHBondContact O-CG2 3.49Å; Y378-T382 PolarHBondContact O-N 3.24Å; Y378-T382 VanDerWaalsContact O-N 3.11Å; Y378-T382 PolarHBondContact O-OG1 2.88Å; I379-T382 PolarHBondContact O-N 2.91Å; Y380-T382 PolarHBondContact O-N 3.4Å; Y380-T382 VanDerWaalsContact O-N 3.15Å; T382-D384 PolarHBondContact O-N 3.31Å; T382-W385 HydrophobicContact CG2-CD2 4.01Å; T382-W385 HydrophobicContact CG2-CE3 4.2Å; T382-W385 HydrophobicContact CG2-CH2 3.86Å; T382-W385 HydrophobicContact CG2-CZ2 3.65Å; T382-W385 HydrophobicContact CG2-CZ3 4.12Å; T382-W385 WeakPolarHBondContact O-CB 3.36Å; T382-W385 PolarHBondContact O-N 3.05Å; T382-F388 WeakPolarHBondContact O-CE1 3.45Å; T382-F388 WeakPolarHBondContact O-CZ 3.32Å; T382-F401 HydrophobicContact CG2-CD1 3.77Å; T382-F401 HydrophobicContact CG2-CE1 3.66Å
383	Q	84.3	Confident	85.5	Confident	79 Å²	79	48.8 Å²	48.8	37%	0.369	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-28.8	-173.7	74.8	-166.5	-27.4	0	0	113.4	I379 Y380 W385	I379-Q383 WeakPolarHBondContact O-CB 3.5Å; I379-Q383 PolarHBondContact O-N 3.29Å; Y380-Q383 WeakPolarHBondContact O-CB 3.33Å; Y380-Q383 WeakPolarHBondContact O-CG 3.38Å; Y380-Q383 PolarHBondContact O-N 3.47Å; Y380-Q383 PolarHBondContact O-NE2 3.18Å; Q383-W385 VanDerWaalsContact C-N 3.29Å
384	D	83.5	Confident	84.4	Confident	123 Å²	123	48.8 Å²	48.8	66%	0.658	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.1	7.5	-178.7	-58	-49.2	0	0	0	112.6	T382	T382-D384 PolarHBondContact O-N 3.31Å
385	W	84.6	Confident	82.7	Confident	17 Å²	17	54.6 Å²	54.6	6%	0.064	28%	0.279	C	S	.	.			trans	-73	137.2	174	-70.6	8.5	0	0	0	111.4	T382 Q383 F388 P389 W393 P399 A400 F401	T382-W385 HydrophobicContact CG2-CD2 4.01Å; T382-W385 HydrophobicContact CG2-CE3 4.2Å; T382-W385 HydrophobicContact CG2-CH2 3.86Å; T382-W385 HydrophobicContact CG2-CZ2 3.65Å; T382-W385 HydrophobicContact CG2-CZ3 4.12Å; T382-W385 WeakPolarHBondContact O-CB 3.36Å; T382-W385 PolarHBondContact O-N 3.05Å; Q383-W385 VanDerWaalsContact C-N 3.29Å; W385-F388 HydrophobicContact CB-CE1 3.87Å; W385-F388 HydrophobicContact CB-CZ 3.89Å; W385-F388 HydrophobicContact CE3-CD1 4.04Å; W385-F388 HydrophobicContact CE3-CE1 4.19Å; W385-F388 HydrophobicContact CG-CE1 4.49Å; W385-P389 HydrophobicContact CZ3-CG 4.14Å; W385-W393 AromaticContact CH2-CH2 3.82Å; W385-W393 HydrophobicContact CH2-CH2 3.82Å; W385-W393 HydrophobicContact CH2-CZ2 4.14Å; W385-W393 HydrophobicContact CZ3-CH2 4.05Å; W385-P399 HydrophobicContact CB-CG 4.23Å; W385-P399 HydrophobicContact CD2-CG 4.49Å; W385-P399 HydrophobicContact CG-CG 3.88Å; W385-P399 PolarHBondContact NE1-O 3.29Å; W385-A400 PolarHBondContact NE1-O 3.06Å; W385-F401 HydrophobicContact CH2-CE1 4.34Å; W385-F401 HydrophobicContact CH2-CZ 4.14Å; W385-F401 HydrophobicContact CZ2-CD1 4.3Å; W385-F401 HydrophobicContact CZ2-CD2 4.43Å; W385-F401 HydrophobicContact CZ2-CE1 4.16Å; W385-F401 HydrophobicContact CZ2-CE2 4.29Å; W385-F401 HydrophobicContact CZ2-CG 4.44Å; W385-F401 HydrophobicContact CZ2-CZ 4.16Å
386	D	81.4	Confident	81	Confident	145 Å²	145	53.4 Å²	53.4	78%	0.775	27%	0.272	S	S	*	.	S	Bend	trans	-78.2	-41.8	176.4	-67.7	-41.9	0	0	0	112.2
387	E	81.2	Confident	79.3	Confident	130 Å²	130	55.3 Å²	55.3	61%	0.607	29%	0.292	S	S	*	.	S	Bend	trans	-121.9	144.6	177.2	-67.9	-172.1	179.6	0	0	110.4	R35	R35-E387 IonicContact NH1-OE2 3.08Å; R35-E387 PolarHBondContact NH1-OE2 3.43Å; R35-E387 VanDerWaalsContact NH1-OE2 3.09Å
388	F	85.8	Confident	77.2	Confident	14 Å²	14	60 Å²	60	6%	0.061	32%	0.324	C	S	.	.			trans	-110.8	142.5	176.5	-66.5	-84.4	0	0	0	111	K360 R361 E364 T382 W385 N390	K360-F388 HydrophobicContact CB-CE2 4.1Å; K360-F388 WeakPolarHBondContact O-CD2 3.19Å; R361-F388 HydrophobicContact CB-CD2 4.47Å; R361-F388 HydrophobicContact CG-CD1 4.09Å; R361-F388 HydrophobicContact CG-CD2 3.86Å; R361-F388 HydrophobicContact CG-CE1 3.88Å; R361-F388 HydrophobicContact CG-CE2 3.6Å; R361-F388 HydrophobicContact CG-CG 4.09Å; R361-F388 HydrophobicContact CG-CZ 3.61Å; E364-F388 HydrophobicContact CB-CB 3.87Å; E364-F388 HydrophobicContact CB-CG 4.46Å; E364-F388 HydrophobicContact CG-CB 4.21Å; T382-F388 WeakPolarHBondContact O-CE1 3.45Å; T382-F388 WeakPolarHBondContact O-CZ 3.32Å; W385-F388 HydrophobicContact CB-CE1 3.87Å; W385-F388 HydrophobicContact CB-CZ 3.89Å; W385-F388 HydrophobicContact CE3-CD1 4.04Å; W385-F388 HydrophobicContact CE3-CE1 4.19Å; W385-F388 HydrophobicContact CG-CE1 4.49Å; F388-N390 PolarHBondContact O-N 3.42Å
389	P	82.8	Confident	75.5	Confident	23 Å²	23	62.1 Å²	62.1	15%	0.149	34%	0.338	C	S	.	.			trans	-57.3	133.2	-179.6	-31.5	41	0	0	0	113.9	E364 D365 V366 W385 W393	E364-P389 WeakPolarHBondContact CA-O 3.28Å; D365-P389 PolarHBondContact N-O 3.39Å; V366-P389 HydrophobicContact CG1-CB 3.59Å; W385-P389 HydrophobicContact CZ3-CG 4.14Å; P389-W393 HydrophobicContact CB-CE3 3.79Å; P389-W393 HydrophobicContact CB-CZ3 3.97Å; P389-W393 HydrophobicContact CG-CD2 4.4Å; P389-W393 HydrophobicContact CG-CE3 3.73Å; P389-W393 HydrophobicContact CG-CH2 4.04Å; P389-W393 HydrophobicContact CG-CZ3 3.52Å
390	N	84.2	Confident	74.2	Confident	50 Å²	50	64.7 Å²	64.7	27%	0.267	36%	0.361	S	S	.	.			trans	-129.9	129	177.2	179.3	-39.5	0	0	0	109.7	T38 V363 D365 F388 R392	T38-N390 PolarHBondContact OG1-OD1 3.08Å; V363-N390 HydrophobicContact CB-CB 4.44Å; V363-N390 WeakPolarHBondContact O-CB 3.41Å; D365-N390 VanDerWaalsContact OD1-CA 3.24Å; D365-N390 WeakPolarHBondContact OD1-CA 3.47Å; F388-N390 PolarHBondContact O-N 3.42Å; N390-R392 VanDerWaalsContact C-N 3.3Å; N390-R392 PolarHBondContact O-N 3.3Å
391	G	84.1	Confident	73.3	Confident	10 Å²	10	64.1 Å²	64.1	10%	0.103	36%	0.359	C	S	.	.	S	Bend	trans	75.8	-71.1	177.4	0	0	0	0	0	112.5	T38 D365 Q575	T38-G391 WeakPolarHBondContact OG1-CA 3.35Å; D365-G391 VanDerWaalsContact CG-N 3.32Å; D365-G391 PolarHBondContact OD1-N 3.31Å; D365-G391 PolarHBondContact OD2-N 2.99Å; D365-G391 VanDerWaalsContact OD2-N 3.13Å; G391-Q575 WeakPolarHBondContact O-CG 3.38Å; G391-Q575 PolarHBondContact O-NE2 3.29Å
392	R	84.1	Confident	72.1	Confident	202 Å²	202	65 Å²	65	76%	0.762	37%	0.371	S	S	*	.	S	Bend	trans	-113.1	139.9	175.4	-52.9	-155.7	171.6	178.5	-1.9	110.8	N390 G394	N390-R392 VanDerWaalsContact C-N 3.3Å; N390-R392 PolarHBondContact O-N 3.3Å; R392-G394 PolarHBondContact O-N 2.84Å
393	W	80.6	Confident	71	Confident	19 Å²	19	72.5 Å²	72.5	7%	0.072	41%	0.406	C	S	.	.			trans	-63.7	110.1	165.5	-165.4	-94.9	0	0	0	107.9	V366 P368 W385 P389 F401 P560 V578 D580	V366-W393 HydrophobicContact CG1-CE3 4.17Å; V366-W393 HydrophobicContact CG2-CB 4.2Å; V366-W393 HydrophobicContact CG2-CE3 4.24Å; V366-W393 VanDerWaalsContact O-CZ3 3.32Å; V366-W393 WeakPolarHBondContact O-CZ3 3.32Å; P368-W393 VanDerWaalsContact CD-CH2 3.47Å; P368-W393 HydrophobicContact CG-CH2 3.69Å; P368-W393 HydrophobicContact CG-CZ2 3.62Å; P368-W393 HydrophobicContact CG-CZ3 4.17Å; W385-W393 AromaticContact CH2-CH2 3.82Å; W385-W393 HydrophobicContact CH2-CH2 3.82Å; W385-W393 HydrophobicContact CH2-CZ2 4.14Å; W385-W393 HydrophobicContact CZ3-CH2 4.05Å; P389-W393 HydrophobicContact CB-CE3 3.79Å; P389-W393 HydrophobicContact CB-CZ3 3.97Å; P389-W393 HydrophobicContact CG-CD2 4.4Å; P389-W393 HydrophobicContact CG-CE3 3.73Å; P389-W393 HydrophobicContact CG-CH2 4.04Å; P389-W393 HydrophobicContact CG-CZ3 3.52Å; W393-F401 HydrophobicContact CZ2-CZ 4.33Å; W393-P560 HydrophobicContact CB-CB 4.36Å; W393-P560 HydrophobicContact CB-CG 4.27Å; W393-P560 HydrophobicContact CG-CG 4.25Å; W393-V578 HydrophobicContact CB-CG1 4.12Å; W393-V578 HydrophobicContact CB-CG2 3.9Å; W393-V578 HydrophobicContact CD2-CG2 4.12Å; W393-V578 HydrophobicContact CE3-CG2 4.48Å; W393-V578 HydrophobicContact CG-CG2 3.87Å; W393-D580 PolarHBondContact NE1-OD2 3.34Å
394	G	68.1	Low	69.9	Low	46 Å²	46	72 Å²	72	47%	0.474	41%	0.405	S	S	.	.			trans	-72.2	-175.1	-177.8	0	0	0	0	0	112.4	R392 S396	R392-G394 PolarHBondContact O-N 2.84Å; G394-S396 PolarHBondContact O-N 3.15Å
395	N	55.8	Low	68.6	Low	140 Å²	140	70.6 Å²	70.6	75%	0.749	40%	0.398	S	S	*	.			trans	-64.7	107.8	173.5	-155.2	-11.4	0	0	0	108.1	S397	N395-S397 PolarHBondContact O-N 3.18Å; N395-S397 PolarHBondContact OD1-OG 3.05Å
396	S	52.2	Low	66.7	Low	24 Å²	24	76.6 Å²	76.6	17%	0.168	43%	0.432	C	S	.	.	S	Bend	trans	-67.7	16.3	-173.8	42.1	0	0	0	0	114.1	G394 S398 D580 V582	G394-S396 PolarHBondContact O-N 3.15Å; S396-S398 PolarHBondContact O-N 3.03Å; S396-D580 PolarHBondContact OG-OD2 2.83Å; S396-V582 WeakPolarHBondContact OG-CB 3.36Å
397	S	48.5	Very low	65.1	Low	93 Å²	93	75.5 Å²	75.5	65%	0.65	42%	0.417	S	S	*	.			trans	-78.8	6.8	177.2	19.8	0	0	0	0	113.8	N395	N395-S397 PolarHBondContact O-N 3.18Å; N395-S397 PolarHBondContact OD1-OG 3.05Å
398	S	43.6	Very low	63.6	Low	100 Å²	100	69.4 Å²	69.4	70%	0.699	39%	0.389	S	S	*	.	S	Bend	trans	-158	132.9	174.9	-171.9	0	0	0	0	111.3	S396	S396-S398 PolarHBondContact O-N 3.03Å
399	P	53.7	Low	62	Low	47 Å²	47	71.7 Å²	71.7	31%	0.305	40%	0.401	S	S	.	.	S	Bend	cis	-78.7	156.7	-29.2	-3.3	23.6	0	0	0	111.6	W385	W385-P399 HydrophobicContact CB-CG 4.23Å; W385-P399 HydrophobicContact CD2-CG 4.49Å; W385-P399 HydrophobicContact CG-CG 3.88Å; W385-P399 PolarHBondContact NE1-O 3.29Å
400	A	63	Low	60.6	Low	62 Å²	62	73.9 Å²	73.9	51%	0.512	41%	0.409	S	S	.	.	P	Polyproline II helix	trans	-59.4	144.6	175.1	0	0	0	0	0	111	W385 G402	W385-A400 PolarHBondContact NE1-O 3.06Å; A400-G402 PolarHBondContact O-N 3.44Å
401	F	65.8	Low	59.2	Low	12 Å²	12	73.5 Å²	73.5	5%	0.053	40%	0.404	C	S	.	.	P	Polyproline II helix	trans	-56.5	136.6	166.2	-71.3	-92.7	0	0	0	109.1	P368 W371 Y378 R381 T382 W385 W393 S583 Y586	P368-F401 HydrophobicContact CG-CZ 4.49Å; W371-F401 HydrophobicContact CH2-CD1 4.4Å; W371-F401 HydrophobicContact CH2-CE1 4.12Å; W371-F401 HydrophobicContact CH2-CZ 4.35Å; W371-F401 HydrophobicContact CZ3-CE1 4.02Å; W371-F401 HydrophobicContact CZ3-CZ 4.1Å; Y378-F401 HydrophobicContact CD2-CE1 4.27Å; Y378-F401 HydrophobicContact CE2-CE1 4.08Å; R381-F401 HydrophobicContact CB-CD1 4.23Å; T382-F401 HydrophobicContact CG2-CD1 3.77Å; T382-F401 HydrophobicContact CG2-CE1 3.66Å; W385-F401 HydrophobicContact CH2-CE1 4.34Å; W385-F401 HydrophobicContact CH2-CZ 4.14Å; W385-F401 HydrophobicContact CZ2-CD1 4.3Å; W385-F401 HydrophobicContact CZ2-CD2 4.43Å; W385-F401 HydrophobicContact CZ2-CE1 4.16Å; W385-F401 HydrophobicContact CZ2-CE2 4.29Å; W385-F401 HydrophobicContact CZ2-CG 4.44Å; W385-F401 HydrophobicContact CZ2-CZ 4.16Å; W393-F401 HydrophobicContact CZ2-CZ 4.33Å; F401-S583 WeakPolarHBondContact CE2-OG 3.48Å; F401-Y586 HydrophobicContact CB-CD1 3.9Å; F401-Y586 HydrophobicContact CB-CE1 4.4Å; F401-Y586 HydrophobicContact CB-CG 3.97Å; F401-Y586 HydrophobicContact CD2-CD1 4.45Å; F401-Y586 AromaticContact CD2-CD2 3.58Å; F401-Y586 HydrophobicContact CD2-CD2 3.58Å; F401-Y586 HydrophobicContact CD2-CE2 4.12Å; F401-Y586 AromaticContact CD2-CG 3.76Å; F401-Y586 HydrophobicContact CD2-CG 3.76Å; F401-Y586 HydrophobicContact CE2-CD2 4.26Å; F401-Y586 HydrophobicContact CG-CD2 4.43Å; F401-Y586 HydrophobicContact CG-CG 4.18Å
402	G	59.2	Low	57.8	Low	28 Å²	28	73.6 Å²	73.6	29%	0.289	40%	0.402	S	S	.	.	P	Polyproline II helix	trans	-57.4	149.6	177.6	0	0	0	0	0	112.8	R381 A400	R381-G402 PolarHBondContact NE-O 2.92Å; R381-G402 PolarHBondContact NH2-O 3.02Å; R381-G402 PolarHBondContact O-N 2.97Å; A400-G402 PolarHBondContact O-N 3.44Å
403	E	63.8	Low	56.9	Low	159 Å²	159	71.3 Å²	71.3	74%	0.743	40%	0.397	S	S	*	.	P	Polyproline II helix	trans	-68.2	157.4	173.8	-68.2	-170	174.3	0	0	111.9	N405	E403-N405 PolarHBondContact O-N 3.43Å
404	L	61.2	Low	56.4	Low	67 Å²	67	71.7 Å²	71.7	35%	0.351	40%	0.403	S	S	.	.			trans	-76.1	84.4	176.3	-69.5	159.4	0	0	0	109.7	Y408 D589	L404-Y408 HydrophobicContact CD2-CD1 3.2Å; L404-Y408 HydrophobicContact CD2-CD2 4.35Å; L404-Y408 HydrophobicContact CD2-CE1 2.93Å; L404-Y408 HydrophobicContact CD2-CE2 4.13Å; L404-Y408 HydrophobicContact CD2-CG 3.93Å; L404-Y408 VanDerWaalsContact CD2-CZ 3.45Å; L404-Y408 HydrophobicContact CG-CD1 4.45Å; L404-Y408 HydrophobicContact CG-CE1 4.41Å; L404-D589 HydrophobicContact CD1-CB 4.23Å
405	N	56.7	Low	56.8	Low	95 Å²	95	73.6 Å²	73.6	51%	0.508	40%	0.398	S	S	.	.			trans	-78	156.5	175.7	-74.7	-19	0	0	0	112.4	E403 Y407 Y408	E403-N405 PolarHBondContact O-N 3.43Å; N405-Y407 PolarHBondContact O-N 3.02Å; N405-Y408 WeakPolarHBondContact O-CA 3.47Å; N405-Y408 WeakPolarHBondContact O-CB 3.22Å; N405-Y408 PolarHBondContact O-N 2.67Å
406	D	45.7	Very low	58.1	Low	143 Å²	143	69 Å²	69	77%	0.765	38%	0.377	S	S	*	.	G	3₁₀ helix	trans	-54.8	-28.7	-177.6	-71.3	-30.3	0	0	0	115.5	Y408 L409	D406-Y408 PolarHBondContact O-N 2.91Å; D406-L409 WeakPolarHBondContact O-CB 3.24Å; D406-L409 PolarHBondContact O-N 2.82Å; D406-L409 VanDerWaalsContact O-N 3.14Å
407	Y	47.3	Very low	59.7	Low	121 Å²	121	70.8 Å²	70.8	48%	0.475	39%	0.39	S	S	.	.	G	3₁₀ helix	trans	-63	-26.6	174.5	-166.6	-96.6	0	0	0	112.5	Y380 N405 L409 F410 Y411	Y380-Y407 HydrophobicContact CE2-CD1 4.2Å; N405-Y407 PolarHBondContact O-N 3.02Å; Y407-L409 PolarHBondContact O-N 2.81Å; Y407-F410 PolarHBondContact O-N 3.34Å; Y407-Y411 HydrophobicContact CE1-CE2 4.48Å
408	Y	50.5	Low	61.6	Low	3 Å²	3	71.6 Å²	71.6	1%	0.012	38%	0.381	C	S	.	.	G	3₁₀ helix	trans	-62.3	-26.3	174.7	-172.7	-102.4	0	0	0	113.4	S377 Y380 R381 L404 N405 D406 F410 Y411 L412 E590	S377-Y408 WeakPolarHBondContact CB-OH 2.94Å; S377-Y408 PolarHBondContact OG-OH 3.42Å; Y380-Y408 AromaticContact CD1-CD2 3.48Å; Y380-Y408 HydrophobicContact CD1-CD2 3.48Å; Y380-Y408 VanDerWaalsContact CD1-CD2 3.48Å; Y380-Y408 HydrophobicContact CD1-CE2 4.02Å; Y380-Y408 AromaticContact CE1-CD2 3.66Å; Y380-Y408 HydrophobicContact CE1-CD2 3.66Å; Y380-Y408 HydrophobicContact CE1-CG 4.39Å; Y380-Y408 HydrophobicContact CG-CD2 4.33Å; R381-Y408 HydrophobicContact CG-CE2 4.28Å; L404-Y408 HydrophobicContact CD2-CD1 3.2Å; L404-Y408 HydrophobicContact CD2-CD2 4.35Å; L404-Y408 HydrophobicContact CD2-CE1 2.93Å; L404-Y408 HydrophobicContact CD2-CE2 4.13Å; L404-Y408 HydrophobicContact CD2-CG 3.93Å; L404-Y408 VanDerWaalsContact CD2-CZ 3.45Å; L404-Y408 HydrophobicContact CG-CD1 4.45Å; L404-Y408 HydrophobicContact CG-CE1 4.41Å; N405-Y408 WeakPolarHBondContact O-CA 3.47Å; N405-Y408 WeakPolarHBondContact O-CB 3.22Å; N405-Y408 PolarHBondContact O-N 2.67Å; D406-Y408 PolarHBondContact O-N 2.91Å; Y408-F410 PolarHBondContact O-N 2.75Å; Y408-F410 VanDerWaalsContact O-N 3.08Å; Y408-Y411 PolarHBondContact O-N 3.06Å; Y408-L412 HydrophobicContact CD1-CD1 3.41Å; Y408-L412 VanDerWaalsContact CD1-CD1 3.41Å; Y408-L412 HydrophobicContact CD1-CD2 4.36Å; Y408-L412 HydrophobicContact CD1-CG 3.6Å; Y408-L412 HydrophobicContact CE1-CD1 3.45Å; Y408-L412 VanDerWaalsContact CE1-CD1 3.45Å; Y408-L412 HydrophobicContact CE1-CD2 3.6Å; Y408-L412 HydrophobicContact CE1-CG 3.32Å; Y408-L412 PolarHBondContact O-N 3.47Å; Y408-L412 VanDerWaalsContact O-N 3.15Å; Y408-E590 PolarHBondContact OH-OE1 3.04Å; Y408-E590 PolarHBondContact OH-OE2 3.14Å
409	L	51	Low	63.9	Low	61 Å²	61	72.6 Å²	72.6	32%	0.319	38%	0.375	S	S	.	.	H	α-helix	trans	-60.3	-22.3	178.7	-71.2	165.2	0	0	0	112.5	D406 Y407 L412 K413 E597	D406-L409 WeakPolarHBondContact O-CB 3.24Å; D406-L409 PolarHBondContact O-N 2.82Å; D406-L409 VanDerWaalsContact O-N 3.14Å; Y407-L409 PolarHBondContact O-N 2.81Å; L409-L412 HydrophobicContact CD2-CD1 3.87Å; L409-L412 PolarHBondContact O-N 3.02Å; L409-K413 WeakPolarHBondContact O-CG 3.46Å; L409-K413 PolarHBondContact O-N 3.32Å; L409-E597 HydrophobicContact CD2-CG 4.36Å; L409-E597 WeakPolarHBondContact CD2-OE2 3.37Å
410	F	54.5	Low	65.7	Low	69 Å²	69	71.9 Å²	71.9	30%	0.303	37%	0.373	S	S	.	.	H	α-helix	trans	-65	-41	171.7	-174.8	-100.5	0	0	0	112.3	V78 E110 Y407 Y408 L412 K413	V78-F410 HydrophobicContact CG2-CZ 4.11Å; E110-F410 WeakPolarHBondContact OE2-CE2 3.2Å; E110-F410 WeakPolarHBondContact OE2-CZ 3.36Å; Y407-F410 PolarHBondContact O-N 3.34Å; Y408-F410 PolarHBondContact O-N 2.75Å; Y408-F410 VanDerWaalsContact O-N 3.08Å; F410-L412 VanDerWaalsContact C-N 3.32Å; F410-K413 PolarHBondContact O-N 2.84Å
411	Y	53.6	Low	67.2	Low	43 Å²	43	69.4 Å²	69.4	17%	0.169	35%	0.351	C	S	.	.	H	α-helix	trans	-78.6	-15.7	176.5	-64.5	-78.5	0	0	0	113.3	Y123 R374 K376 Y380 Y407 Y408	Y123-Y411 HydrophobicContact CE1-CE1 4.33Å; Y123-Y411 HydrophobicContact CE2-CE1 4.11Å; Y123-Y411 AromaticContact CE2-CZ 3.92Å; Y123-Y411 WeakPolarHBondContact CE2-OH 3.44Å; Y123-Y411 AromaticContact CZ-CE1 3.97Å; Y123-Y411 AromaticContact CZ-CZ 3.75Å; Y123-Y411 PolarHBondContact OH-OH 3.05Å; R374-Y411 PolarHBondContact NH2-O 3.48Å; K376-Y411 HydrophobicContact CB-CD1 4.06Å; K376-Y411 HydrophobicContact CB-CE1 4.41Å; Y380-Y411 HydrophobicContact CD2-CE2 4.31Å; Y407-Y411 HydrophobicContact CE1-CE2 4.48Å; Y408-Y411 PolarHBondContact O-N 3.06Å
412	L	53.9	Low	68.6	Low	11 Å²	11	70.1 Å²	70.1	6%	0.058	36%	0.357	C	S	.	.	H	α-helix	trans	-83.5	-12.4	169.1	-72.1	172.5	0	0	0	113.5	Y408 L409 F410 S414 E590 L594 Q598	Y408-L412 HydrophobicContact CD1-CD1 3.41Å; Y408-L412 VanDerWaalsContact CD1-CD1 3.41Å; Y408-L412 HydrophobicContact CD1-CD2 4.36Å; Y408-L412 HydrophobicContact CD1-CG 3.6Å; Y408-L412 HydrophobicContact CE1-CD1 3.45Å; Y408-L412 VanDerWaalsContact CE1-CD1 3.45Å; Y408-L412 HydrophobicContact CE1-CD2 3.6Å; Y408-L412 HydrophobicContact CE1-CG 3.32Å; Y408-L412 PolarHBondContact O-N 3.47Å; Y408-L412 VanDerWaalsContact O-N 3.15Å; L409-L412 HydrophobicContact CD2-CD1 3.87Å; L409-L412 PolarHBondContact O-N 3.02Å; F410-L412 VanDerWaalsContact C-N 3.32Å; L412-S414 PolarHBondContact O-N 2.81Å; L412-E590 HydrophobicContact CD2-CG 4.42Å; L412-L594 HydrophobicContact CD2-CD2 3.46Å; L412-L594 VanDerWaalsContact CD2-CD2 3.46Å; L412-L594 HydrophobicContact CD2-CG 4.05Å; L412-Q598 VanDerWaalsContact O-CD 3.28Å; L412-Q598 WeakPolarHBondContact O-CG 3.25Å; L412-Q598 PolarHBondContact O-NE2 3.37Å
413	K	65.6	Low	70.3	Confident	155 Å²	155	73.3 Å²	73.3	67%	0.674	36%	0.364	S	S	*	.	S	Bend	trans	-74.3	130.8	177.5	-80.5	174.2	-175.7	-179.3	0	110.3	L409 F410	L409-K413 WeakPolarHBondContact O-CG 3.46Å; L409-K413 PolarHBondContact O-N 3.32Å; F410-K413 PolarHBondContact O-N 2.84Å
414	S	71.7	Confident	71.8	Confident	26 Å²	26	66 Å²	66	18%	0.182	33%	0.33	C	S	.	.			trans	-61.5	148.5	170.2	-173.7	0	0	0	0	110.7	L412 S416	L412-S414 PolarHBondContact O-N 2.81Å; S414-S416 PolarHBondContact O-N 3.25Å; S414-S416 PolarHBondContact OG-N 2.96Å
415	K	74.5	Confident	73.4	Confident	86 Å²	86	62.9 Å²	62.9	37%	0.374	31%	0.314	S	S	.	.	S	Bend	trans	-65.4	-20.8	168.4	-60.1	179.5	-173.1	179.3	0	112.1	D461 E462	K415-D461 WeakPolarHBondContact CE-OD2 3.5Å; K415-D461 IonicContact NZ-OD2 3.1Å; K415-E462 IonicContact NZ-OE1 2.9Å; K415-E462 PolarHBondContact NZ-OE1 3.3Å
416	S	83.3	Confident	75.2	Confident	45 Å²	45	58.7 Å²	58.7	32%	0.315	29%	0.292	S	S	.	.	S	Bend	trans	-86.5	148.4	-178.1	-63.3	0	0	0	0	111.8	S414	S414-S416 PolarHBondContact O-N 3.25Å; S414-S416 PolarHBondContact OG-N 2.96Å
417	S	86.6	Confident	77.5	Confident	61 Å²	61	57.6 Å²	57.6	43%	0.427	28%	0.283	S	S	.	.			trans	-70.1	159.5	173.6	86.4	0	0	0	0	111.3	E419 A420 L421	S417-E419 VanDerWaalsContact CB-OE2 3.27Å; S417-E419 WeakPolarHBondContact CB-OE2 3.44Å; S417-E419 PolarHBondContact O-N 2.88Å; S417-E419 PolarHBondContact OG-N 3.49Å; S417-E419 PolarHBondContact OG-OE2 3.23Å; S417-A420 PolarHBondContact O-N 3.08Å; S417-A420 PolarHBondContact OG-N 3.06Å; S417-L421 WeakPolarHBondContact O-CG 3.36Å; S417-L421 PolarHBondContact O-N 3.34Å
418	K	89.4	Confident	79.7	Confident	109 Å²	109	58.4 Å²	58.4	47%	0.474	29%	0.291	S	S	.	.	H	α-helix	trans	-54.8	-42.4	177.4	178.4	171	175.7	164.5	0	111.5	L421 V422 L602	K418-L421 PolarHBondContact O-N 2.83Å; K418-V422 HydrophobicContact CG-CG2 4.43Å; K418-V422 VanDerWaalsContact O-CG2 3.28Å; K418-V422 WeakPolarHBondContact O-CG2 3.37Å; K418-V422 PolarHBondContact O-N 2.97Å; K418-L602 WeakPolarHBondContact CE-O 3.43Å; K418-L602 HydrophobicContact CG-CD2 3.84Å; K418-L602 PolarHBondContact NZ-O 3.31Å
419	E	91	Very high	81.9	Confident	121 Å²	121	58.5 Å²	58.5	57%	0.565	29%	0.292	S	S	*	.	H	α-helix	trans	-64.4	-43.6	-179	-56.4	70.4	-149.6	0	0	111.3	S417 V422 Q423	S417-E419 VanDerWaalsContact CB-OE2 3.27Å; S417-E419 WeakPolarHBondContact CB-OE2 3.44Å; S417-E419 PolarHBondContact O-N 2.88Å; S417-E419 PolarHBondContact OG-N 3.49Å; S417-E419 PolarHBondContact OG-OE2 3.23Å; E419-V422 PolarHBondContact O-N 3.1Å; E419-Q423 WeakPolarHBondContact O-CG 3.49Å; E419-Q423 PolarHBondContact O-N 2.85Å
420	A	92	Very high	83.9	Confident	33 Å²	33	63.4 Å²	63.4	27%	0.273	31%	0.31	S	S	.	.	H	α-helix	trans	-63.9	-42	176.9	0	0	0	0	0	111.6	S417 Q423 M424	S417-A420 PolarHBondContact O-N 3.08Å; S417-A420 PolarHBondContact OG-N 3.06Å; A420-Q423 PolarHBondContact O-N 3.07Å; A420-M424 WeakPolarHBondContact O-CG 3.35Å; A420-M424 PolarHBondContact O-N 3.09Å
421	L	94.1	Very high	86	Confident	9 Å²	9	64 Å²	64	5%	0.047	32%	0.317	C	S	.	.	H	α-helix	trans	-62.6	-44.7	176.6	-66.7	178.1	0	0	0	111.8	S417 K418 Q423 M424 W425 L602	S417-L421 WeakPolarHBondContact O-CG 3.36Å; S417-L421 PolarHBondContact O-N 3.34Å; K418-L421 PolarHBondContact O-N 2.83Å; L421-Q423 VanDerWaalsContact C-N 3.32Å; L421-Q423 PolarHBondContact O-N 3.2Å; L421-M424 HydrophobicContact CD2-CE 3.81Å; L421-M424 PolarHBondContact O-N 2.97Å; L421-W425 HydrophobicContact CB-CE3 4.37Å; L421-W425 HydrophobicContact CB-CZ3 4.46Å; L421-W425 HydrophobicContact CD1-CH2 4.27Å; L421-W425 HydrophobicContact CD1-CZ3 4.32Å; L421-W425 HydrophobicContact CD2-CH2 3.76Å; L421-W425 HydrophobicContact CD2-CZ2 3.61Å; L421-W425 HydrophobicContact CD2-CZ3 4.28Å; L421-W425 HydrophobicContact CG-CH2 4.48Å; L421-W425 WeakPolarHBondContact O-CB 3.37Å; L421-W425 PolarHBondContact O-N 3.2Å; L421-L602 HydrophobicContact CB-CD1 3.89Å; L421-L602 HydrophobicContact CB-CD2 4.11Å; L421-L602 HydrophobicContact CD1-CD2 4.11Å
422	V	94.8	Very high	88	Confident	28 Å²	28	64.9 Å²	64.9	17%	0.17	32%	0.322	C	S	.	.	H	α-helix	trans	-61.4	-40.4	177.3	169.9	0	0	0	0	111.6	K418 E419 M424 G426 E427 L602	K418-V422 HydrophobicContact CG-CG2 4.43Å; K418-V422 VanDerWaalsContact O-CG2 3.28Å; K418-V422 WeakPolarHBondContact O-CG2 3.37Å; K418-V422 PolarHBondContact O-N 2.97Å; E419-V422 PolarHBondContact O-N 3.1Å; V422-M424 VanDerWaalsContact C-N 3.34Å; V422-M424 PolarHBondContact O-N 3.11Å; V422-G426 CarbonylContact O-C 3.12Å; V422-G426 VanDerWaalsContact O-CA 3.28Å; V422-G426 WeakPolarHBondContact O-CA 3.42Å; V422-G426 PolarHBondContact O-N 3.22Å; V422-E427 HydrophobicContact CG1-CB 4.24Å; V422-E427 HydrophobicContact CG1-CG 3.62Å; V422-E427 PolarHBondContact O-N 3.25Å; V422-L602 HydrophobicContact CG2-CB 3.99Å; V422-L602 HydrophobicContact CG2-CD1 4.32Å; V422-L602 HydrophobicContact CG2-CD2 4.42Å; V422-L602 HydrophobicContact CG2-CG 4.47Å
423	Q	94.9	Very high	90.1	Very high	95 Å²	95	68.9 Å²	68.9	44%	0.444	34%	0.341	S	S	.	.	H	α-helix	trans	-65.9	-35.5	176.1	-72.6	176.1	-3.6	0	0	112.9	E419 A420 L421 N448 Q452	E419-Q423 WeakPolarHBondContact O-CG 3.49Å; E419-Q423 PolarHBondContact O-N 2.85Å; A420-Q423 PolarHBondContact O-N 3.07Å; L421-Q423 VanDerWaalsContact C-N 3.32Å; L421-Q423 PolarHBondContact O-N 3.2Å; Q423-N448 PolarHBondContact O-ND2 3.22Å; Q423-Q452 HydrophobicContact CB-CG 4.19Å
424	M	95.1	Very high	91.5	Very high	6 Å²	6	62 Å²	62	3%	0.03	31%	0.312	C	S	.	.	H	α-helix	trans	-75.8	-48.9	178.3	-71	-171.6	-67.7	0	0	112	A420 L421 V422 N448 Q452 K453 V454 L455	A420-M424 WeakPolarHBondContact O-CG 3.35Å; A420-M424 PolarHBondContact O-N 3.09Å; L421-M424 HydrophobicContact CD2-CE 3.81Å; L421-M424 PolarHBondContact O-N 2.97Å; V422-M424 VanDerWaalsContact C-N 3.34Å; V422-M424 PolarHBondContact O-N 3.11Å; M424-N448 PolarHBondContact O-ND2 2.91Å; M424-Q452 HydrophobicContact CG-CG 3.83Å; M424-K453 WeakPolarHBondContact CG-O 3.13Å; M424-V454 HydrophobicContact CB-CG2 4.47Å; M424-V454 WeakPolarHBondContact O-CG2 3.49Å; M424-L455 HydrophobicContact SD-CB 3.94Å; M424-L455 HydrophobicContact SD-CG 4.16Å; M424-L455 PolarHBondContact SD-N 3.47Å; M424-L455 VanDerWaalsContact SD-N 3.38Å
425	W	96.3	Very high	92.8	Very high	1 Å²	1	60.7 Å²	60.7	0%	0.004	30%	0.303	C	S	.	.	H	α-helix	trans	-92.8	-7.6	-170.3	-57.2	-14.1	0	0	0	113.7	L421 V438 C456 P458 Q598 W599 L602	L421-W425 HydrophobicContact CB-CE3 4.37Å; L421-W425 HydrophobicContact CB-CZ3 4.46Å; L421-W425 HydrophobicContact CD1-CH2 4.27Å; L421-W425 HydrophobicContact CD1-CZ3 4.32Å; L421-W425 HydrophobicContact CD2-CH2 3.76Å; L421-W425 HydrophobicContact CD2-CZ2 3.61Å; L421-W425 HydrophobicContact CD2-CZ3 4.28Å; L421-W425 HydrophobicContact CG-CH2 4.48Å; L421-W425 WeakPolarHBondContact O-CB 3.37Å; L421-W425 PolarHBondContact O-N 3.2Å; W425-V438 HydrophobicContact CB-CG1 4.35Å; W425-V438 HydrophobicContact CG-CG1 4.15Å; W425-V438 WeakPolarHBondContact O-CG2 3.25Å; W425-C456 PolarHBondContact NE1-O 2.75Å; W425-P458 HydrophobicContact CH2-CG 3.75Å; W425-P458 HydrophobicContact CZ2-CG 4.26Å; W425-P458 HydrophobicContact CZ3-CG 4.06Å; W425-Q598 HydrophobicContact CH2-CB 4.36Å; W425-Q598 HydrophobicContact CZ3-CB 4.41Å; W425-W599 HydrophobicContact CB-CZ2 3.91Å; W425-W599 HydrophobicContact CD2-CD2 4.42Å; W425-W599 HydrophobicContact CE3-CB 4.26Å; W425-W599 AromaticContact CE3-CD1 3.78Å; W425-W599 AromaticContact CE3-CD2 3.93Å; W425-W599 HydrophobicContact CE3-CD2 3.93Å; W425-W599 AromaticContact CE3-CG 3.75Å; W425-W599 HydrophobicContact CE3-CG 3.75Å; W425-W599 AromaticContact CE3-NE1 4Å; W425-W599 HydrophobicContact CG-CZ2 4.26Å; W425-W599 HydrophobicContact CZ3-CB 4.12Å; W425-W599 HydrophobicContact CZ3-CD2 4.45Å; W425-W599 HydrophobicContact CZ3-CG 4.11Å; W425-L602 HydrophobicContact CD2-CD1 4.44Å; W425-L602 HydrophobicContact CE3-CD1 3.42Å; W425-L602 VanDerWaalsContact CE3-CD1 3.42Å; W425-L602 HydrophobicContact CZ3-CD1 3.8Å
426	G	94.3	Very high	93.9	Very high	6 Å²	6	57.6 Å²	57.6	6%	0.062	29%	0.289	C	S	.	.			trans	104.7	132.4	175.2	0	0	0	0	0	112.8	V422 E428 Y603	V422-G426 CarbonylContact O-C 3.12Å; V422-G426 VanDerWaalsContact O-CA 3.28Å; V422-G426 WeakPolarHBondContact O-CA 3.42Å; V422-G426 PolarHBondContact O-N 3.22Å; G426-E428 VanDerWaalsContact C-N 3.33Å; G426-Y603 VanDerWaalsContact O-CE1 3.26Å; G426-Y603 WeakPolarHBondContact O-CE1 3.23Å; G426-Y603 PolarHBondContact O-OH 3.07Å
427	E	92.8	Very high	94.6	Very high	121 Å²	121	58.8 Å²	58.8	57%	0.565	29%	0.29	S	S	*	.	S	Bend	trans	-63	-38.7	173.5	-70	172.6	-169.1	0	0	112.2	V422 Y603	V422-E427 HydrophobicContact CG1-CB 4.24Å; V422-E427 HydrophobicContact CG1-CG 3.62Å; V422-E427 PolarHBondContact O-N 3.25Å; E427-Y603 WeakPolarHBondContact O-CE1 3.42Å
428	E	93.8	Very high	95.1	Very high	137 Å²	137	56.3 Å²	56.3	64%	0.64	27%	0.272	S	S	*	.			trans	-136.4	132.6	176.7	-66.1	-178.2	177.1	0	0	111	G426 R449 S609	G426-E428 VanDerWaalsContact C-N 3.33Å; E428-R449 PolarHBondContact O-NH2 3.03Å; E428-S609 WeakPolarHBondContact CA-OG 3.43Å
429	L	96	Very high	95.5	Very high	6 Å²	6	51.1 Å²	51.1	3%	0.031	25%	0.25	C	C	.	.			trans	-100.9	129.8	173.2	-54	174.9	0	0	0	108.4	V435 Y603 S609 I612 I613	L429-V435 HydrophobicContact CD1-CG2 4.13Å; L429-Y603 HydrophobicContact CD1-CE2 3.88Å; L429-Y603 HydrophobicContact CG-CE2 4.41Å; L429-S609 PolarHBondContact N-OG 2.89Å; L429-I612 HydrophobicContact CB-CD1 3.89Å; L429-I612 WeakPolarHBondContact O-CD1 3.4Å; L429-I613 HydrophobicContact CD1-CD1 3.56Å; L429-I613 HydrophobicContact CD1-CG1 3.7Å
430	K	94.8	Very high	95.8	Very high	163 Å²	163	46 Å²	46	71%	0.709	23%	0.227	S	C	*	.			trans	-95.4	-31.2	-176.7	-64.2	-175.8	179.1	-179	0	112.8	S434	K430-S434 PolarHBondContact N-OG 3.09Å; K430-S434 VanDerWaalsContact N-OG 3.14Å
431	N	96.6	Very high	96	Very high	83 Å²	83	44.8 Å²	44.8	44%	0.444	22%	0.216	S	C	.	.	S	Bend	trans	-166.9	178.2	-176.5	52.8	29.5	0	0	0	109.1	Q433 S434	N431-Q433 PolarHBondContact O-N 2.92Å; N431-Q433 WeakPolarHBondContact OD1-CB 3.38Å; N431-Q433 PolarHBondContact OD1-N 3.47Å; N431-S434 WeakPolarHBondContact O-CB 3.4Å; N431-S434 PolarHBondContact O-N 3.27Å; N431-S434 PolarHBondContact O-OG 3.19Å; N431-S434 PolarHBondContact OD1-N 2.89Å; N431-S434 PolarHBondContact OD1-OG 3.03Å
432	E	96.8	Very high	96.1	Very high	60 Å²	60	45.1 Å²	45.1	28%	0.28	22%	0.217	S	C	.	.	H	α-helix	trans	-58.9	-33.3	178.1	-65.7	168.5	-99.4	0	0	112.8	S434 V435 F436 I612 Y615 I616 Y620	E432-S434 PolarHBondContact O-N 2.89Å; E432-S434 VanDerWaalsContact O-N 3.13Å; E432-V435 WeakPolarHBondContact O-CA 3.42Å; E432-V435 VanDerWaalsContact O-CB 3.29Å; E432-V435 WeakPolarHBondContact O-CB 3.47Å; E432-V435 PolarHBondContact O-N 2.88Å; E432-F436 HydrophobicContact CB-CE1 3.93Å; E432-F436 HydrophobicContact CB-CZ 3.88Å; E432-F436 WeakPolarHBondContact O-CD1 3.42Å; E432-F436 WeakPolarHBondContact O-CE1 3.42Å; E432-F436 WeakPolarHBondContact O-CG 3.46Å; E432-F436 PolarHBondContact O-N 3.43Å; E432-F436 VanDerWaalsContact O-N 3.1Å; E432-I612 HydrophobicContact CG-CG2 4.5Å; E432-Y615 HydrophobicContact CG-CD1 4.46Å; E432-I616 HydrophobicContact CG-CD1 4.41Å; E432-I616 HydrophobicContact CG-CG1 4.32Å; E432-Y620 WeakPolarHBondContact OE2-CE1 3.4Å; E432-Y620 PolarHBondContact OE2-OH 3.35Å
433	Q	96.9	Very high	96.1	Very high	96 Å²	96	44.2 Å²	44.2	45%	0.449	21%	0.211	S	C	.	.	H	α-helix	trans	-58.9	-29.7	175.5	-166.2	65.6	40.9	0	0	112.6	N431 V435 F436 E437 R480	N431-Q433 PolarHBondContact O-N 2.92Å; N431-Q433 WeakPolarHBondContact OD1-CB 3.38Å; N431-Q433 PolarHBondContact OD1-N 3.47Å; Q433-V435 PolarHBondContact O-N 3.22Å; Q433-F436 PolarHBondContact O-N 3.42Å; Q433-E437 PolarHBondContact O-N 3.48Å; Q433-R480 PolarHBondContact NE2-O 2.75Å
434	S	96.9	Very high	96	Very high	9 Å²	9	40.2 Å²	40.2	6%	0.063	19%	0.193	C	C	.	.	H	α-helix	trans	-62.4	-34.1	174	-54.2	0	0	0	0	111.5	K430 N431 E432	K430-S434 PolarHBondContact N-OG 3.09Å; K430-S434 VanDerWaalsContact N-OG 3.14Å; N431-S434 WeakPolarHBondContact O-CB 3.4Å; N431-S434 PolarHBondContact O-N 3.27Å; N431-S434 PolarHBondContact O-OG 3.19Å; N431-S434 PolarHBondContact OD1-N 2.89Å; N431-S434 PolarHBondContact OD1-OG 3.03Å; E432-S434 PolarHBondContact O-N 2.89Å; E432-S434 VanDerWaalsContact O-N 3.13Å
435	V	98.1	Very high	95.8	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-74.1	-41.8	175.4	-178.6	0	0	0	0	110.1	L429 E432 Q433 E437 V438 F439 L484 W595 W599 I612 I613 I616	L429-V435 HydrophobicContact CD1-CG2 4.13Å; E432-V435 WeakPolarHBondContact O-CA 3.42Å; E432-V435 VanDerWaalsContact O-CB 3.29Å; E432-V435 WeakPolarHBondContact O-CB 3.47Å; E432-V435 PolarHBondContact O-N 2.88Å; Q433-V435 PolarHBondContact O-N 3.22Å; V435-E437 VanDerWaalsContact C-N 3.27Å; V435-E437 PolarHBondContact O-N 3.15Å; V435-V438 WeakPolarHBondContact O-CB 3.35Å; V435-V438 PolarHBondContact O-N 3.07Å; V435-F439 HydrophobicContact CG1-CD2 4.23Å; V435-F439 HydrophobicContact CG1-CE2 3.9Å; V435-F439 WeakPolarHBondContact O-CD2 3.35Å; V435-F439 PolarHBondContact O-N 2.92Å; V435-L484 HydrophobicContact CG1-CD1 4.26Å; V435-W595 HydrophobicContact CG1-CH2 3.83Å; V435-W595 HydrophobicContact CG1-CZ3 3.84Å; V435-W599 HydrophobicContact CG1-CH2 3.74Å; V435-W599 HydrophobicContact CG1-CZ2 4.25Å; V435-W599 HydrophobicContact CG1-CZ3 4.14Å; V435-I612 HydrophobicContact CG2-CG2 4.21Å; V435-I613 HydrophobicContact CG2-CD1 3.79Å; V435-I616 HydrophobicContact CB-CD1 4.03Å; V435-I616 HydrophobicContact CG1-CD1 3.98Å; V435-I616 HydrophobicContact CG2-CD1 3.76Å
436	F	98	Very high	95.7	Very high	20 Å²	20	48.1 Å²	48.1	9%	0.088	24%	0.239	C	C	.	.	H	α-helix	trans	-61.5	-37.6	-179.6	-56.7	-1.5	0	0	0	111.6	E432 Q433 V438 F439 T440 G482 L484 Y620	E432-F436 HydrophobicContact CB-CE1 3.93Å; E432-F436 HydrophobicContact CB-CZ 3.88Å; E432-F436 WeakPolarHBondContact O-CD1 3.42Å; E432-F436 WeakPolarHBondContact O-CE1 3.42Å; E432-F436 WeakPolarHBondContact O-CG 3.46Å; E432-F436 PolarHBondContact O-N 3.43Å; E432-F436 VanDerWaalsContact O-N 3.1Å; Q433-F436 PolarHBondContact O-N 3.42Å; F436-V438 VanDerWaalsContact C-N 3.32Å; F436-V438 PolarHBondContact O-N 2.96Å; F436-F439 PolarHBondContact O-N 2.81Å; F436-T440 WeakPolarHBondContact O-CB 3.43Å; F436-T440 PolarHBondContact O-N 3.23Å; F436-T440 PolarHBondContact O-OG1 3.08Å; F436-G482 VanDerWaalsContact CE2-CA 3.42Å; F436-L484 HydrophobicContact CB-CD2 4.27Å; F436-L484 HydrophobicContact CD1-CD1 3.98Å; F436-L484 HydrophobicContact CD1-CD2 3.49Å; F436-L484 VanDerWaalsContact CD1-CD2 3.49Å; F436-L484 HydrophobicContact CD1-CG 4.16Å; F436-L484 HydrophobicContact CE1-CD1 4.01Å; F436-L484 HydrophobicContact CE1-CD2 4.12Å; F436-L484 HydrophobicContact CE1-CG 4.34Å; F436-L484 HydrophobicContact CG-CD2 4.05Å; F436-Y620 WeakPolarHBondContact CE1-OH 3.28Å; F436-Y620 WeakPolarHBondContact CZ-OH 3.5Å
437	E	97.1	Very high	95.6	Very high	70 Å²	70	50.5 Å²	50.5	33%	0.327	25%	0.254	S	S	.	.	H	α-helix	trans	-59	-40.9	174.1	-171.4	-176.9	168.4	0	0	111.6	Q433 V435 T440 C441	Q433-E437 PolarHBondContact O-N 3.48Å; V435-E437 VanDerWaalsContact C-N 3.27Å; V435-E437 PolarHBondContact O-N 3.15Å; E437-T440 WeakPolarHBondContact O-CB 3.38Å; E437-T440 PolarHBondContact O-N 3.08Å; E437-C441 WeakPolarHBondContact O-CB 3.5Å; E437-C441 PolarHBondContact O-N 3.15Å; E437-C441 PolarHBondContact O-SG 3.28Å; E437-C441 VanDerWaalsContact O-SG 3.35Å
438	V	97.6	Very high	95.6	Very high	9 Å²	9	45.6 Å²	45.6	6%	0.055	23%	0.231	C	C	.	.	H	α-helix	trans	-63.9	-44.7	-180	175.6	0	0	0	0	111.6	W425 V435 F436 T440 C441 Y442 V454 L457 W599	W425-V438 HydrophobicContact CB-CG1 4.35Å; W425-V438 HydrophobicContact CG-CG1 4.15Å; W425-V438 WeakPolarHBondContact O-CG2 3.25Å; V435-V438 WeakPolarHBondContact O-CB 3.35Å; V435-V438 PolarHBondContact O-N 3.07Å; F436-V438 VanDerWaalsContact C-N 3.32Å; F436-V438 PolarHBondContact O-N 2.96Å; V438-T440 VanDerWaalsContact C-N 3.33Å; V438-T440 PolarHBondContact O-N 3.26Å; V438-C441 PolarHBondContact O-N 3.35Å; V438-Y442 PolarHBondContact O-N 3.01Å; V438-V454 HydrophobicContact CG1-CG1 4.06Å; V438-V454 HydrophobicContact CG1-CG2 4.44Å; V438-L457 HydrophobicContact CG1-CD2 3.89Å; V438-W599 HydrophobicContact CB-CH2 3.87Å; V438-W599 HydrophobicContact CB-CZ2 4.08Å; V438-W599 HydrophobicContact CG1-CH2 3.67Å; V438-W599 HydrophobicContact CG1-CZ2 3.95Å; V438-W599 HydrophobicContact CG2-CH2 4.36Å; V438-W599 HydrophobicContact CG2-CZ2 4.06Å
439	F	97.9	Very high	95.3	Very high	1 Å²	1	44.9 Å²	44.9	0%	0.004	22%	0.222	C	C	.	.	H	α-helix	trans	-62.1	-42.6	174.3	-79.1	-109	0	0	0	111.3	V435 F436 C441 Y442 I443 L457 W459 N479 L484 I486 W595 W599	V435-F439 HydrophobicContact CG1-CD2 4.23Å; V435-F439 HydrophobicContact CG1-CE2 3.9Å; V435-F439 WeakPolarHBondContact O-CD2 3.35Å; V435-F439 PolarHBondContact O-N 2.92Å; F436-F439 PolarHBondContact O-N 2.81Å; F439-C441 PolarHBondContact O-N 3Å; F439-Y442 PolarHBondContact O-N 3.26Å; F439-I443 PolarHBondContact O-N 3.27Å; F439-L457 HydrophobicContact CD1-CD1 3.75Å; F439-L457 HydrophobicContact CE1-CD1 3.96Å; F439-L457 HydrophobicContact CG-CD1 4.2Å; F439-W459 HydrophobicContact CE1-CE3 4.42Å; F439-W459 HydrophobicContact CE1-CZ3 4.06Å; F439-W459 HydrophobicContact CE2-CZ3 4.24Å; F439-W459 HydrophobicContact CZ-CE3 4.18Å; F439-W459 HydrophobicContact CZ-CH2 4.03Å; F439-W459 AromaticContact CZ-CZ3 3.39Å; F439-W459 HydrophobicContact CZ-CZ3 3.39Å; F439-N479 HydrophobicContact CB-CB 4.26Å; F439-N479 WeakPolarHBondContact CB-OD1 3.44Å; F439-L484 HydrophobicContact CB-CD2 4.35Å; F439-L484 HydrophobicContact CD1-CB 3.93Å; F439-L484 HydrophobicContact CD1-CD2 4.48Å; F439-L484 HydrophobicContact CD2-CD2 4.1Å; F439-L484 HydrophobicContact CE1-CB 3.7Å; F439-L484 HydrophobicContact CE2-CB 4.28Å; F439-L484 HydrophobicContact CE2-CD1 4.15Å; F439-L484 HydrophobicContact CE2-CD2 4.49Å; F439-L484 HydrophobicContact CG-CB 4.33Å; F439-L484 HydrophobicContact CG-CD2 4.08Å; F439-L484 HydrophobicContact CZ-CB 3.86Å; F439-L484 HydrophobicContact CZ-CD1 4.35Å; F439-I486 HydrophobicContact CE1-CG2 4.05Å; F439-W595 AromaticContact CE2-CH2 3.78Å; F439-W595 HydrophobicContact CE2-CH2 3.78Å; F439-W595 HydrophobicContact CE2-CZ3 4.46Å; F439-W595 AromaticContact CZ-CH2 3.83Å; F439-W595 HydrophobicContact CZ-CH2 3.83Å; F439-W595 HydrophobicContact CZ-CZ2 4.18Å; F439-W599 HydrophobicContact CD2-CH2 4.31Å; F439-W599 HydrophobicContact CD2-CZ3 4.42Å; F439-W599 AromaticContact CE2-CH2 3.97Å; F439-W599 HydrophobicContact CE2-CH2 3.97Å; F439-W599 AromaticContact CE2-CZ3 3.66Å; F439-W599 HydrophobicContact CE2-CZ3 3.66Å; F439-W599 HydrophobicContact CZ-CZ3 4.41Å
440	T	96.8	Very high	94.9	Very high	12 Å²	12	49.3 Å²	49.3	7%	0.074	25%	0.246	C	C	.	.	H	α-helix	trans	-61.9	-44.7	177.1	-54.5	0	0	0	0	111.4	F436 E437 V438 Y442 I443 T444 E476 R480	F436-T440 WeakPolarHBondContact O-CB 3.43Å; F436-T440 PolarHBondContact O-N 3.23Å; F436-T440 PolarHBondContact O-OG1 3.08Å; E437-T440 WeakPolarHBondContact O-CB 3.38Å; E437-T440 PolarHBondContact O-N 3.08Å; V438-T440 VanDerWaalsContact C-N 3.33Å; V438-T440 PolarHBondContact O-N 3.26Å; T440-Y442 VanDerWaalsContact C-N 3.35Å; T440-Y442 PolarHBondContact O-N 3.36Å; T440-I443 PolarHBondContact O-N 3.48Å; T440-T444 HydrophobicContact CG2-CG2 4.28Å; T440-T444 WeakPolarHBondContact O-CB 3.38Å; T440-T444 VanDerWaalsContact O-CG2 3.23Å; T440-T444 WeakPolarHBondContact O-CG2 3.26Å; T440-T444 PolarHBondContact O-N 2.95Å; T440-T444 PolarHBondContact O-OG1 3.13Å; T440-E476 HydrophobicContact CG2-CG 3.82Å; T440-R480 HydrophobicContact CG2-CG 3.67Å
441	C	96.3	Very high	94.8	Very high	9 Å²	9	44.2 Å²	44.2	6%	0.061	24%	0.24	C	C	.	.	H	α-helix	trans	-63.6	-38.5	176.6	-74.5	0	0	0	0	112.2	E437 V438 F439 T444 A445 V454	E437-C441 WeakPolarHBondContact O-CB 3.5Å; E437-C441 PolarHBondContact O-N 3.15Å; E437-C441 PolarHBondContact O-SG 3.28Å; E437-C441 VanDerWaalsContact O-SG 3.35Å; V438-C441 PolarHBondContact O-N 3.35Å; F439-C441 PolarHBondContact O-N 3Å; C441-T444 WeakPolarHBondContact CA-OG1 3.5Å; C441-T444 PolarHBondContact O-OG1 3.37Å; C441-A445 WeakPolarHBondContact O-CA 3.46Å; C441-A445 PolarHBondContact O-N 3.43Å; C441-V454 HydrophobicContact CB-CB 4.1Å; C441-V454 HydrophobicContact CB-CG2 3.57Å
442	Y	95.7	Very high	94.6	Very high	15 Å²	15	43.4 Å²	43.4	6%	0.059	23%	0.234	C	C	.	.	H	α-helix	trans	-61.2	-50.1	175.2	176.7	-111.8	0	0	0	111.5	V438 F439 T440 A445 V454 L457 N460 E462 L464	V438-Y442 PolarHBondContact O-N 3.01Å; F439-Y442 PolarHBondContact O-N 3.26Å; T440-Y442 VanDerWaalsContact C-N 3.35Å; T440-Y442 PolarHBondContact O-N 3.36Å; Y442-A445 PolarHBondContact O-N 2.79Å; Y442-V454 HydrophobicContact CD2-CG1 4.42Å; Y442-L457 HydrophobicContact CD1-CD1 3.45Å; Y442-L457 VanDerWaalsContact CD1-CD1 3.45Å; Y442-L457 HydrophobicContact CD1-CG 3.83Å; Y442-L457 HydrophobicContact CD2-CG 4.28Å; Y442-L457 HydrophobicContact CE1-CD1 4Å; Y442-L457 HydrophobicContact CE1-CG 4.33Å; Y442-L457 HydrophobicContact CG-CD1 3.89Å; Y442-L457 HydrophobicContact CG-CD2 4.48Å; Y442-L457 HydrophobicContact CG-CG 3.79Å; Y442-N460 HydrophobicContact CE1-CB 4.28Å; Y442-N460 VanDerWaalsContact OH-CB 3.32Å; Y442-N460 WeakPolarHBondContact OH-CB 3.31Å; Y442-E462 PolarHBondContact OH-O 2.77Å; Y442-L464 HydrophobicContact CD1-CD2 4.39Å; Y442-L464 HydrophobicContact CE1-CD2 3.53Å; Y442-L464 HydrophobicContact CE1-CG 4.31Å
443	I	95.2	Very high	94.5	Very high	9 Å²	9	45.9 Å²	45.9	5%	0.046	24%	0.243	C	C	.	.	H	α-helix	trans	-64.4	-45	179.4	-65.7	-58.3	0	0	0	112	F439 T440 A445 L464 K472 L475	F439-I443 PolarHBondContact O-N 3.27Å; T440-I443 PolarHBondContact O-N 3.48Å; I443-A445 VanDerWaalsContact C-N 3.31Å; I443-A445 PolarHBondContact O-N 3.35Å; I443-L464 HydrophobicContact CD1-CD1 4.2Å; I443-L464 HydrophobicContact CD1-CD2 4.19Å; I443-K472 HydrophobicContact CG2-CG 4.1Å; I443-K472 WeakPolarHBondContact O-CE 3.45Å; I443-L475 HydrophobicContact CD1-CD1 4.32Å; I443-L475 HydrophobicContact CG1-CB 4.42Å; I443-L475 HydrophobicContact CG2-CB 3.86Å
444	T	93.3	Very high	94.4	Very high	12 Å²	12	41.5 Å²	41.5	7%	0.074	22%	0.223	C	C	.	.	H	α-helix	trans	-76.4	-20.3	-175.5	58.7	0	0	0	0	113.3	T440 C441 Q446 K472 E476	T440-T444 HydrophobicContact CG2-CG2 4.28Å; T440-T444 WeakPolarHBondContact O-CB 3.38Å; T440-T444 VanDerWaalsContact O-CG2 3.23Å; T440-T444 WeakPolarHBondContact O-CG2 3.26Å; T440-T444 PolarHBondContact O-N 2.95Å; T440-T444 PolarHBondContact O-OG1 3.13Å; C441-T444 WeakPolarHBondContact CA-OG1 3.5Å; C441-T444 PolarHBondContact O-OG1 3.37Å; T444-Q446 PolarHBondContact O-N 3.23Å; T444-Q446 WeakPolarHBondContact OG1-CB 3.24Å; T444-Q446 PolarHBondContact OG1-N 3.14Å; T444-K472 PolarHBondContact O-NZ 3.17Å; T444-E476 HydrophobicContact CG2-CB 4.1Å; T444-E476 HydrophobicContact CG2-CG 3.53Å; T444-E476 VanDerWaalsContact CG2-OE2 3.26Å; T444-E476 WeakPolarHBondContact CG2-OE2 3.3Å
445	A	91.6	Very high	94.2	Very high	51 Å²	51	46.4 Å²	46.4	42%	0.421	25%	0.248	S	C	.	.			trans	57.6	19.5	-166.7	0	0	0	0	0	113.7	C441 Y442 I443	C441-A445 WeakPolarHBondContact O-CA 3.46Å; C441-A445 PolarHBondContact O-N 3.43Å; Y442-A445 PolarHBondContact O-N 2.79Å; I443-A445 VanDerWaalsContact C-N 3.31Å; I443-A445 PolarHBondContact O-N 3.35Å
446	Q	92.7	Very high	94	Very high	121 Å²	121	46.6 Å²	46.6	57%	0.565	25%	0.249	S	C	*	.			trans	-80.5	147.8	174.3	-65.3	-62.2	-21.7	0	0	110.4	T444	T444-Q446 PolarHBondContact O-N 3.23Å; T444-Q446 WeakPolarHBondContact OG1-CB 3.24Å; T444-Q446 PolarHBondContact OG1-N 3.14Å
447	P	93.6	Very high	93.9	Very high	57 Å²	57	45.7 Å²	45.7	37%	0.37	25%	0.246	S	C	.	.	B	Isolated β-bridge	trans	-60.7	145	172.4	-18.8	31.5	0	0	0	111.5	Q452 K453	P447-Q452 CarbonylContact C-O 3.57Å; P447-Q452 WeakPolarHBondContact CA-O 3.22Å; P447-K453 HydrophobicContact CG-CG 4.29Å
448	N	92.5	Very high	93.8	Very high	17 Å²	17	42.4 Å²	42.4	9%	0.091	23%	0.23	C	C	.	.			trans	-68.2	176.8	168	70.6	16.2	0	0	0	110.8	Q423 M424 N450 G451 Q452	Q423-N448 PolarHBondContact O-ND2 3.22Å; M424-N448 PolarHBondContact O-ND2 2.91Å; N448-N450 PolarHBondContact O-N 3.08Å; N448-N450 WeakPolarHBondContact OD1-CA 3.34Å; N448-N450 WeakPolarHBondContact OD1-CB 3.49Å; N448-N450 PolarHBondContact OD1-N 3.23Å; N448-G451 PolarHBondContact O-N 2.9Å; N448-G451 PolarHBondContact OD1-N 3.22Å; N448-Q452 PolarHBondContact N-O 3.4Å; N448-Q452 PolarHBondContact OD1-N 3.42Å; N448-Q452 PolarHBondContact OD1-O 3.14Å
449	R	87.8	Confident	93.7	Very high	122 Å²	122	42.2 Å²	42.2	46%	0.46	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.9	-20.1	177.8	66.8	-171	-176.6	-158	-0.8	116.1	E428	E428-R449 PolarHBondContact O-NH2 3.03Å
450	N	87.6	Confident	93.4	Very high	99 Å²	99	42.8 Å²	42.8	53%	0.529	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.7	7.4	179	-64.7	-17.9	0	0	0	113	N448 Q452	N448-N450 PolarHBondContact O-N 3.08Å; N448-N450 WeakPolarHBondContact OD1-CA 3.34Å; N448-N450 WeakPolarHBondContact OD1-CB 3.49Å; N448-N450 PolarHBondContact OD1-N 3.23Å; N450-Q452 VanDerWaalsContact C-N 3.32Å
451	G	91.8	Very high	92.9	Very high	56 Å²	56	44.8 Å²	44.8	58%	0.577	24%	0.242	S	C	*	.	S	Bend	trans	80.3	8.5	-179.3	0	0	0	0	0	114.6	N448	N448-G451 PolarHBondContact O-N 2.9Å; N448-G451 PolarHBondContact OD1-N 3.22Å
452	Q	93.5	Very high	92.2	Very high	67 Å²	67	48.9 Å²	48.9	31%	0.313	26%	0.26	S	S	.	.			trans	-95.6	130.2	179.5	-176.9	59.6	39.1	0	0	110.9	Q423 M424 P447 N448 N450	Q423-Q452 HydrophobicContact CB-CG 4.19Å; M424-Q452 HydrophobicContact CG-CG 3.83Å; P447-Q452 CarbonylContact C-O 3.57Å; P447-Q452 WeakPolarHBondContact CA-O 3.22Å; N448-Q452 PolarHBondContact N-O 3.4Å; N448-Q452 PolarHBondContact OD1-N 3.42Å; N448-Q452 PolarHBondContact OD1-O 3.14Å; N450-Q452 VanDerWaalsContact C-N 3.32Å
453	K	94.2	Very high	91.7	Very high	112 Å²	112	53.1 Å²	53.1	49%	0.487	29%	0.29	S	S	.	.	B	Isolated β-bridge	trans	-75.5	136	172.6	-70.8	-175.2	175.2	-175.1	0	110.5	M424 P447 L455	M424-K453 WeakPolarHBondContact CG-O 3.13Å; P447-K453 HydrophobicContact CG-CG 4.29Å; K453-L455 HydrophobicContact CB-CD2 4.16Å; K453-L455 PolarHBondContact O-N 2.73Å
454	V	94.6	Very high	91.4	Very high	4 Å²	4	55.4 Å²	55.4	2%	0.024	30%	0.301	C	S	.	.			trans	-84.3	110.1	173.1	-175.9	0	0	0	0	108.4	M424 V438 C441 Y442 C456 L457	M424-V454 HydrophobicContact CB-CG2 4.47Å; M424-V454 WeakPolarHBondContact O-CG2 3.49Å; V438-V454 HydrophobicContact CG1-CG1 4.06Å; V438-V454 HydrophobicContact CG1-CG2 4.44Å; C441-V454 HydrophobicContact CB-CB 4.1Å; C441-V454 HydrophobicContact CB-CG2 3.57Å; Y442-V454 HydrophobicContact CD2-CG1 4.42Å; V454-C456 WeakPolarHBondContact CG1-O 3.36Å; V454-L457 HydrophobicContact CG1-CD2 4.45Å
455	L	92.8	Very high	91.2	Very high	111 Å²	111	56.7 Å²	56.7	58%	0.581	31%	0.314	S	S	*	.			trans	-98	-15.7	-174.8	-59.1	178.9	0	0	0	113.5	M424 K453	M424-L455 HydrophobicContact SD-CB 3.94Å; M424-L455 HydrophobicContact SD-CG 4.16Å; M424-L455 PolarHBondContact SD-N 3.47Å; M424-L455 VanDerWaalsContact SD-N 3.38Å; K453-L455 HydrophobicContact CB-CD2 4.16Å; K453-L455 PolarHBondContact O-N 2.73Å
456	C	94	Very high	91.1	Very high	4 Å²	4	57.7 Å²	57.7	3%	0.027	32%	0.316	C	S	.	.			trans	-153.2	162.5	-178.8	60.5	0	0	0	0	111.6	W425 V454 N460	W425-C456 PolarHBondContact NE1-O 2.75Å; V454-C456 WeakPolarHBondContact CG1-O 3.36Å; C456-N460 VanDerWaalsContact CA-O 3.3Å; C456-N460 WeakPolarHBondContact CA-O 3.39Å; C456-N460 VanDerWaalsContact CB-O 3.25Å; C456-N460 WeakPolarHBondContact CB-O 3.43Å
457	L	95.9	Very high	91	Very high	2 Å²	2	53.8 Å²	53.8	1%	0.01	30%	0.297	C	S	.	.	B	Isolated β-bridge	trans	-125.2	166.5	168.9	-66.4	177.7	0	0	0	108.8	V438 F439 Y442 V454 W459 N460	V438-L457 HydrophobicContact CG1-CD2 3.89Å; F439-L457 HydrophobicContact CD1-CD1 3.75Å; F439-L457 HydrophobicContact CE1-CD1 3.96Å; F439-L457 HydrophobicContact CG-CD1 4.2Å; Y442-L457 HydrophobicContact CD1-CD1 3.45Å; Y442-L457 VanDerWaalsContact CD1-CD1 3.45Å; Y442-L457 HydrophobicContact CD1-CG 3.83Å; Y442-L457 HydrophobicContact CD2-CG 4.28Å; Y442-L457 HydrophobicContact CE1-CD1 4Å; Y442-L457 HydrophobicContact CE1-CG 4.33Å; Y442-L457 HydrophobicContact CG-CD1 3.89Å; Y442-L457 HydrophobicContact CG-CD2 4.48Å; Y442-L457 HydrophobicContact CG-CG 3.79Å; V454-L457 HydrophobicContact CG1-CD2 4.45Å; L457-W459 HydrophobicContact CB-CE3 4.25Å; L457-W459 PolarHBondContact O-N 3.45Å; L457-W459 VanDerWaalsContact O-N 3.11Å; L457-N460 PolarHBondContact N-O 3.11Å; L457-N460 CarbonylContact O-C 3.45Å; L457-N460 PolarHBondContact O-N 3.16Å; L457-N460 VanDerWaalsContact O-N 3.08Å
458	P	94.5	Very high	90.9	Very high	1 Å²	1	51.7 Å²	51.7	1%	0.006	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.7	-35.5	176	-29.9	35.6	0	0	0	114.8	W425 L594 Q598 W599	W425-P458 HydrophobicContact CH2-CG 3.75Å; W425-P458 HydrophobicContact CZ2-CG 4.26Å; W425-P458 HydrophobicContact CZ3-CG 4.06Å; P458-L594 HydrophobicContact CB-CB 4.03Å; P458-Q598 HydrophobicContact CB-CB 4.08Å; P458-Q598 HydrophobicContact CG-CB 4.32Å; P458-Q598 PolarHBondContact O-NE2 2.84Å; P458-W599 HydrophobicContact CG-CB 4.31Å; P458-W599 HydrophobicContact CG-CD2 4.47Å; P458-W599 HydrophobicContact CG-CE3 3.74Å; P458-W599 HydrophobicContact CG-CZ3 4.43Å
459	W	95.1	Very high	90.9	Very high	4 Å²	4	55.6 Å²	55.6	2%	0.015	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-18.2	-179.1	-51.8	-89.5	0	0	0	114	S373 F439 L457 I486 F520 A591 L594 W595 W599	S373-W459 WeakPolarHBondContact CB-O 3.41Å; F439-W459 HydrophobicContact CE1-CE3 4.42Å; F439-W459 HydrophobicContact CE1-CZ3 4.06Å; F439-W459 HydrophobicContact CE2-CZ3 4.24Å; F439-W459 HydrophobicContact CZ-CE3 4.18Å; F439-W459 HydrophobicContact CZ-CH2 4.03Å; F439-W459 AromaticContact CZ-CZ3 3.39Å; F439-W459 HydrophobicContact CZ-CZ3 3.39Å; L457-W459 HydrophobicContact CB-CE3 4.25Å; L457-W459 PolarHBondContact O-N 3.45Å; L457-W459 VanDerWaalsContact O-N 3.11Å; W459-I486 HydrophobicContact CB-CB 4.09Å; W459-I486 HydrophobicContact CB-CG2 4.27Å; W459-I486 HydrophobicContact CD2-CB 4.35Å; W459-I486 HydrophobicContact CD2-CG2 3.6Å; W459-I486 HydrophobicContact CE3-CG2 3.6Å; W459-I486 HydrophobicContact CG-CB 4.1Å; W459-I486 HydrophobicContact CG-CD1 4.22Å; W459-I486 HydrophobicContact CG-CG2 3.87Å; W459-I486 HydrophobicContact CZ3-CG2 4.31Å; W459-F520 HydrophobicContact CD2-CE2 4.46Å; W459-F520 AromaticContact CE2-CE2 3.62Å; W459-F520 HydrophobicContact CH2-CE2 4.41Å; W459-F520 HydrophobicContact CZ2-CD2 4.23Å; W459-F520 AromaticContact CZ2-CE2 3.6Å; W459-F520 HydrophobicContact CZ2-CE2 3.6Å; W459-F520 HydrophobicContact CZ2-CZ 4.25Å; W459-F520 AromaticContact NE1-CE2 3.68Å; W459-A591 PolarHBondContact NE1-O 3.03Å; W459-L594 VanDerWaalsContact CD1-CD1 3.47Å; W459-L594 HydrophobicContact CG-CD1 4.14Å; W459-W595 AromaticContact CH2-CD2 3.49Å; W459-W595 HydrophobicContact CH2-CD2 3.49Å; W459-W595 VanDerWaalsContact CH2-CD2 3.49Å; W459-W595 AromaticContact CH2-CE2 3.26Å; W459-W595 AromaticContact CH2-CE3 3.79Å; W459-W595 HydrophobicContact CH2-CE3 3.79Å; W459-W595 HydrophobicContact CH2-CG 4.11Å; W459-W595 AromaticContact CH2-CH2 3.72Å; W459-W595 HydrophobicContact CH2-CH2 3.72Å; W459-W595 AromaticContact CH2-CZ2 3.39Å; W459-W595 HydrophobicContact CH2-CZ2 3.39Å; W459-W595 AromaticContact CH2-CZ3 3.9Å; W459-W595 HydrophobicContact CH2-CZ3 3.9Å; W459-W595 AromaticContact CH2-NE1 3.74Å; W459-W595 AromaticContact CZ2-CD1 3.61Å; W459-W595 AromaticContact CZ2-CD2 3.69Å; W459-W595 HydrophobicContact CZ2-CD2 3.69Å; W459-W595 AromaticContact CZ2-CE2 3.4Å; W459-W595 VanDerWaalsContact CZ2-CE2 3.4Å; W459-W595 HydrophobicContact CZ2-CE3 4.41Å; W459-W595 AromaticContact CZ2-CG 3.82Å; W459-W595 HydrophobicContact CZ2-CG 3.82Å; W459-W595 AromaticContact CZ2-CZ2 3.94Å; W459-W595 HydrophobicContact CZ2-CZ2 3.94Å; W459-W595 AromaticContact CZ2-NE1 3.33Å; W459-W595 VanDerWaalsContact CZ2-NE1 3.33Å; W459-W595 HydrophobicContact CZ3-CH2 4.39Å; W459-W595 HydrophobicContact CZ3-CZ2 4.3Å; W459-W599 HydrophobicContact CZ3-CZ3 4.46Å
460	N	92.5	Very high	91	Very high	14 Å²	14	55.2 Å²	55.2	8%	0.075	31%	0.306	C	S	.	.	B	Isolated β-bridge	trans	-135.2	101.2	-173.2	-45.8	92.5	0	0	0	109.8	S373 Y442 C456 L457 I486	S373-N460 WeakPolarHBondContact CB-ND2 3.41Å; S373-N460 PolarHBondContact OG-ND2 3.09Å; Y442-N460 HydrophobicContact CE1-CB 4.28Å; Y442-N460 VanDerWaalsContact OH-CB 3.32Å; Y442-N460 WeakPolarHBondContact OH-CB 3.31Å; C456-N460 VanDerWaalsContact CA-O 3.3Å; C456-N460 WeakPolarHBondContact CA-O 3.39Å; C456-N460 VanDerWaalsContact CB-O 3.25Å; C456-N460 WeakPolarHBondContact CB-O 3.43Å; L457-N460 PolarHBondContact N-O 3.11Å; L457-N460 CarbonylContact O-C 3.45Å; L457-N460 PolarHBondContact O-N 3.16Å; L457-N460 VanDerWaalsContact O-N 3.08Å; N460-I486 PolarHBondContact ND2-O 3.23Å; N460-I486 VanDerWaalsContact ND2-O 3.07Å; N460-I486 PolarHBondContact OD1-O 2.89Å
461	D	85.5	Confident	91.2	Very high	54 Å²	54	51.5 Å²	51.5	29%	0.289	29%	0.286	S	S	.	.			trans	-92.1	-3.2	179.9	66.7	-31.1	0	0	0	113.7	K415	K415-D461 WeakPolarHBondContact CE-OD2 3.5Å; K415-D461 IonicContact NZ-OD2 3.1Å
462	E	82.7	Confident	91.4	Very high	94 Å²	94	51.8 Å²	51.8	44%	0.439	27%	0.272	S	S	.	.	S	Bend	trans	-112.8	160.8	178.7	-66.6	-61.2	154.9	0	0	112.1	K415 Y442	K415-E462 IonicContact NZ-OE1 2.9Å; K415-E462 PolarHBondContact NZ-OE1 3.3Å; Y442-E462 PolarHBondContact OH-O 2.77Å
463	P	84.8	Confident	91.5	Very high	105 Å²	105	54.3 Å²	54.3	68%	0.682	29%	0.287	S	S	*	.	P	Polyproline II helix	trans	-58.6	156.2	169.2	-21.2	33.2	0	0	0	112.4	A465	P463-A465 PolarHBondContact O-N 3.23Å
464	L	88.7	Confident	91.6	Very high	56 Å²	56	52 Å²	52	29%	0.293	28%	0.279	S	S	.	.	P	Polyproline II helix	trans	-57.3	137.2	176.2	-66.1	178	0	0	0	111.9	Y442 I443 T468	Y442-L464 HydrophobicContact CD1-CD2 4.39Å; Y442-L464 HydrophobicContact CE1-CD2 3.53Å; Y442-L464 HydrophobicContact CE1-CG 4.31Å; I443-L464 HydrophobicContact CD1-CD1 4.2Å; I443-L464 HydrophobicContact CD1-CD2 4.19Å; L464-T468 HydrophobicContact CD1-CG2 4.05Å; L464-T468 HydrophobicContact CD2-CG2 4.13Å; L464-T468 HydrophobicContact CG-CG2 4.49Å
465	A	88.7	Confident	91.8	Very high	40 Å²	40	51.9 Å²	51.9	33%	0.331	28%	0.278	S	S	.	.	P	Polyproline II helix	trans	-62.1	148.2	171.4	0	0	0	0	0	110.3	P463 E467 T468	P463-A465 PolarHBondContact O-N 3.23Å; A465-E467 HydrophobicContact CB-CG 4.18Å; A465-E467 PolarHBondContact O-N 2.87Å; A465-T468 WeakPolarHBondContact O-CB 3.49Å; A465-T468 PolarHBondContact O-N 3.07Å; A465-T468 PolarHBondContact O-OG1 3.37Å
466	P	89.6	Confident	92	Very high	72 Å²	72	48.7 Å²	48.7	47%	0.468	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	-56	-28.4	-178.6	-29.1	37	0	0	0	114.6	T468 N469 V501	P466-T468 VanDerWaalsContact C-N 3.31Å; P466-T468 PolarHBondContact O-N 2.97Å; P466-N469 WeakPolarHBondContact O-CB 3.31Å; P466-N469 PolarHBondContact O-N 3.16Å; P466-N469 PolarHBondContact O-ND2 3.15Å; P466-V501 HydrophobicContact CB-CG1 4.04Å
467	E	90.4	Very high	92.1	Very high	38 Å²	38	52.3 Å²	52.3	18%	0.178	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-67	-27.6	178.5	70.4	-172.8	166.5	0	0	113.6	A465 N469 F470 P490 V501 V502 Q513	A465-E467 HydrophobicContact CB-CG 4.18Å; A465-E467 PolarHBondContact O-N 2.87Å; E467-N469 PolarHBondContact O-N 3.05Å; E467-F470 HydrophobicContact CB-CD2 4.48Å; E467-F470 WeakPolarHBondContact O-CD2 3.41Å; E467-F470 PolarHBondContact O-N 3.03Å; E467-F470 VanDerWaalsContact O-N 3.15Å; E467-P490 HydrophobicContact CB-CG 4.29Å; E467-V501 HydrophobicContact CB-CG1 3.9Å; E467-V502 HydrophobicContact CB-CG1 4.06Å; E467-Q513 PolarHBondContact OE2-NE2 3.45Å
468	T	92.7	Very high	92.2	Very high	13 Å²	13	52.2 Å²	52.2	8%	0.08	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-63.6	-23.4	177.2	-49.1	0	0	0	0	111.7	L464 A465 P466 F470 L471 K472 L475	L464-T468 HydrophobicContact CD1-CG2 4.05Å; L464-T468 HydrophobicContact CD2-CG2 4.13Å; L464-T468 HydrophobicContact CG-CG2 4.49Å; A465-T468 WeakPolarHBondContact O-CB 3.49Å; A465-T468 PolarHBondContact O-N 3.07Å; A465-T468 PolarHBondContact O-OG1 3.37Å; P466-T468 VanDerWaalsContact C-N 3.31Å; P466-T468 PolarHBondContact O-N 2.97Å; T468-F470 PolarHBondContact O-N 3.21Å; T468-F470 VanDerWaalsContact O-N 3.16Å; T468-L471 PolarHBondContact O-N 3.46Å; T468-K472 PolarHBondContact O-N 2.91Å; T468-L475 HydrophobicContact CG2-CD1 3.49Å; T468-L475 VanDerWaalsContact CG2-CD1 3.49Å
469	N	91.1	Very high	92.4	Very high	100 Å²	100	52.2 Å²	52.2	54%	0.535	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-61.1	-24.5	176.8	-67.3	-51.6	0	0	0	113.1	P466 E467 L471	P466-N469 WeakPolarHBondContact O-CB 3.31Å; P466-N469 PolarHBondContact O-N 3.16Å; P466-N469 PolarHBondContact O-ND2 3.15Å; E467-N469 PolarHBondContact O-N 3.05Å; N469-L471 PolarHBondContact O-N 2.91Å
470	F	90.1	Very high	92.5	Very high	113 Å²	113	58.5 Å²	58.5	50%	0.496	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	-69.2	-20.4	175.1	-60.5	-51.5	0	0	0	113.3	E467 T468 P490 V501	E467-F470 HydrophobicContact CB-CD2 4.48Å; E467-F470 WeakPolarHBondContact O-CD2 3.41Å; E467-F470 PolarHBondContact O-N 3.03Å; E467-F470 VanDerWaalsContact O-N 3.15Å; T468-F470 PolarHBondContact O-N 3.21Å; T468-F470 VanDerWaalsContact O-N 3.16Å; F470-P490 HydrophobicContact CD2-CB 4.48Å; F470-P490 HydrophobicContact CD2-CG 4.12Å; F470-V501 HydrophobicContact CE2-CB 4.42Å; F470-V501 HydrophobicContact CE2-CG1 3.59Å; F470-V501 HydrophobicContact CZ-CB 4.42Å; F470-V501 HydrophobicContact CZ-CG1 3.93Å; F470-V501 HydrophobicContact CZ-CG2 4.45Å
471	L	93.2	Very high	92.7	Very high	21 Å²	21	62.6 Å²	62.6	11%	0.11	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-117.8	4.6	-170.6	-50.7	176.7	0	0	0	112.1	T468 N469 D473 E474 L475 P490 W637	T468-L471 PolarHBondContact O-N 3.46Å; N469-L471 PolarHBondContact O-N 2.91Å; L471-D473 PolarHBondContact O-N 3.23Å; L471-E474 PolarHBondContact O-N 3.01Å; L471-L475 HydrophobicContact CB-CD1 3.91Å; L471-L475 HydrophobicContact CB-CG 4.1Å; L471-L475 WeakPolarHBondContact O-CB 3.34Å; L471-L475 VanDerWaalsContact O-CG 3.28Å; L471-L475 WeakPolarHBondContact O-CG 3.43Å; L471-L475 PolarHBondContact O-N 3.02Å; L471-P490 HydrophobicContact CD1-CB 4.29Å; L471-P490 HydrophobicContact CD2-CB 4.18Å; L471-P490 HydrophobicContact CG-CB 4.38Å; L471-W637 HydrophobicContact CB-CZ2 4.1Å; L471-W637 HydrophobicContact CD1-CZ2 4.34Å; L471-W637 HydrophobicContact CD2-CZ2 4.04Å; L471-W637 HydrophobicContact CG-CZ2 4.38Å
472	K	94.4	Very high	93.3	Very high	62 Å²	62	60.1 Å²	60.1	27%	0.27	30%	0.3	S	S	.	.	H	α-helix	trans	-57.5	-46.1	-165.4	-175.3	173.8	176.3	166.2	0	113.1	I443 T444 T468 L475 E476	I443-K472 HydrophobicContact CG2-CG 4.1Å; I443-K472 WeakPolarHBondContact O-CE 3.45Å; T444-K472 PolarHBondContact O-NZ 3.17Å; T468-K472 PolarHBondContact O-N 2.91Å; K472-L475 PolarHBondContact O-N 2.92Å; K472-E476 WeakPolarHBondContact O-CB 3.29Å; K472-E476 PolarHBondContact O-N 2.56Å
473	D	95.7	Very high	94	Very high	120 Å²	120	55.7 Å²	55.7	64%	0.642	28%	0.279	S	S	*	.	H	α-helix	trans	-69.3	-39.7	-177	-62.2	-16.8	0	0	0	111.4	L471 E476 K477	L471-D473 PolarHBondContact O-N 3.23Å; D473-E476 PolarHBondContact O-N 2.93Å; D473-K477 WeakPolarHBondContact O-CB 3.38Å; D473-K477 PolarHBondContact O-N 2.84Å
474	E	97.2	Very high	94.7	Very high	65 Å²	65	50.7 Å²	50.7	30%	0.304	25%	0.247	S	C	.	.	H	α-helix	trans	-67.9	-42.6	176.1	-63	-55.9	147	0	0	111.6	L471 E476 K477 V478 W637	L471-E474 PolarHBondContact O-N 3.01Å; E474-E476 VanDerWaalsContact C-N 3.34Å; E474-E476 PolarHBondContact O-N 2.59Å; E474-K477 WeakPolarHBondContact O-CB 3.41Å; E474-K477 PolarHBondContact O-N 3.18Å; E474-K477 IonicContact OE2-NZ 2.84Å; E474-V478 WeakPolarHBondContact O-CG1 3.35Å; E474-V478 PolarHBondContact O-N 3.43Å; E474-W637 HydrophobicContact CB-CD2 3.6Å; E474-W637 HydrophobicContact CB-CE3 3.77Å; E474-W637 HydrophobicContact CB-CG 4.17Å; E474-W637 HydrophobicContact CB-CH2 4.01Å; E474-W637 HydrophobicContact CB-CZ2 3.84Å; E474-W637 HydrophobicContact CB-CZ3 3.97Å; E474-W637 HydrophobicContact CG-CD2 3.97Å; E474-W637 HydrophobicContact CG-CG 4Å
475	L	97.7	Very high	95.1	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-60.7	-43.8	174.2	-71.3	171.6	0	0	0	111.1	I443 T468 L471 K472 K477 V478 N479 T485 L517 W637	I443-L475 HydrophobicContact CD1-CD1 4.32Å; I443-L475 HydrophobicContact CG1-CB 4.42Å; I443-L475 HydrophobicContact CG2-CB 3.86Å; T468-L475 HydrophobicContact CG2-CD1 3.49Å; T468-L475 VanDerWaalsContact CG2-CD1 3.49Å; L471-L475 HydrophobicContact CB-CD1 3.91Å; L471-L475 HydrophobicContact CB-CG 4.1Å; L471-L475 WeakPolarHBondContact O-CB 3.34Å; L471-L475 VanDerWaalsContact O-CG 3.28Å; L471-L475 WeakPolarHBondContact O-CG 3.43Å; L471-L475 PolarHBondContact O-N 3.02Å; K472-L475 PolarHBondContact O-N 2.92Å; L475-K477 PolarHBondContact O-N 3.06Å; L475-V478 WeakPolarHBondContact O-CG2 3.45Å; L475-V478 PolarHBondContact O-N 3.36Å; L475-N479 WeakPolarHBondContact O-CB 3.29Å; L475-N479 PolarHBondContact O-N 2.91Å; L475-N479 PolarHBondContact O-ND2 3.43Å; L475-T485 HydrophobicContact CD2-CG2 3.81Å; L475-L517 HydrophobicContact CD2-CD1 3.87Å; L475-W637 HydrophobicContact CD2-CH2 3.8Å; L475-W637 HydrophobicContact CD2-CZ3 4.42Å; L475-W637 HydrophobicContact CG-CH2 4.12Å
476	E	97.1	Very high	95.6	Very high	45 Å²	45	46.8 Å²	46.8	21%	0.21	22%	0.221	C	C	.	.	H	α-helix	trans	-58	-49	175.3	-175.2	-174.8	168.4	0	0	111.4	T440 T444 K472 D473 E474 V478 N479 R480	T440-E476 HydrophobicContact CG2-CG 3.82Å; T444-E476 HydrophobicContact CG2-CB 4.1Å; T444-E476 HydrophobicContact CG2-CG 3.53Å; T444-E476 VanDerWaalsContact CG2-OE2 3.26Å; T444-E476 WeakPolarHBondContact CG2-OE2 3.3Å; K472-E476 WeakPolarHBondContact O-CB 3.29Å; K472-E476 PolarHBondContact O-N 2.56Å; D473-E476 PolarHBondContact O-N 2.93Å; E474-E476 VanDerWaalsContact C-N 3.34Å; E474-E476 PolarHBondContact O-N 2.59Å; E476-V478 PolarHBondContact O-N 3.34Å; E476-N479 PolarHBondContact O-N 2.85Å; E476-R480 VanDerWaalsContact O-CG 3.31Å; E476-R480 WeakPolarHBondContact O-CG 3.39Å; E476-R480 PolarHBondContact O-N 3.07Å; E476-R480 VanDerWaalsContact O-N 3.11Å; E476-R480 IonicContact OE1-CZ 3.98Å; E476-R480 IonicContact OE1-NE 3.39Å; E476-R480 PolarHBondContact OE1-NE 2.93Å; E476-R480 IonicContact OE1-NH2 3.53Å; E476-R480 PolarHBondContact OE1-NH2 2.99Å
477	K	97.2	Very high	96	Very high	79 Å²	79	44.5 Å²	44.5	34%	0.343	21%	0.205	S	C	.	.	H	α-helix	trans	-56.3	-48.5	-179.5	179.3	-167.7	-179.5	-167.8	0	111.9	D473 E474 L475 D641	D473-K477 WeakPolarHBondContact O-CB 3.38Å; D473-K477 PolarHBondContact O-N 2.84Å; E474-K477 WeakPolarHBondContact O-CB 3.41Å; E474-K477 PolarHBondContact O-N 3.18Å; E474-K477 IonicContact OE2-NZ 2.84Å; L475-K477 PolarHBondContact O-N 3.06Å; K477-D641 WeakPolarHBondContact CE-OD1 3.38Å; K477-D641 IonicContact NZ-OD1 3.35Å; K477-D641 PolarHBondContact NZ-OD1 3.39Å; K477-D641 IonicContact NZ-OD2 3.47Å; K477-D641 PolarHBondContact NZ-OD2 3.11Å
478	V	97.9	Very high	96.3	Very high	1 Å²	1	43.4 Å²	43.4	1%	0.006	20%	0.202	C	C	.	.	H	α-helix	trans	-74	-38.8	-176.3	-55.5	0	0	0	0	112.1	E474 L475 E476 R480 R481 G482 V483 T485 W637 I640	E474-V478 WeakPolarHBondContact O-CG1 3.35Å; E474-V478 PolarHBondContact O-N 3.43Å; L475-V478 WeakPolarHBondContact O-CG2 3.45Å; L475-V478 PolarHBondContact O-N 3.36Å; E476-V478 PolarHBondContact O-N 3.34Å; V478-R480 VanDerWaalsContact C-N 3.33Å; V478-R480 PolarHBondContact O-N 2.91Å; V478-R481 CarbonylContact O-C 3.5Å; V478-R481 PolarHBondContact O-N 3.08Å; V478-R481 VanDerWaalsContact O-N 3.1Å; V478-G482 PolarHBondContact O-N 2.76Å; V478-V483 HydrophobicContact CB-CB 3.88Å; V478-V483 HydrophobicContact CB-CG1 4Å; V478-V483 HydrophobicContact CG2-CB 4.25Å; V478-V483 HydrophobicContact CG2-CG1 4.01Å; V478-V483 WeakPolarHBondContact O-CB 3.44Å; V478-V483 PolarHBondContact O-N 3.05Å; V478-V483 VanDerWaalsContact O-N 3.15Å; V478-T485 HydrophobicContact CG2-CG2 3.93Å; V478-W637 HydrophobicContact CG1-CE3 4.24Å; V478-W637 HydrophobicContact CG1-CZ3 4.29Å; V478-W637 HydrophobicContact CG2-CZ3 4.35Å; V478-I640 HydrophobicContact CB-CG2 4.23Å; V478-I640 HydrophobicContact CG1-CB 4.31Å; V478-I640 HydrophobicContact CG1-CG2 3.61Å
479	N	98	Very high	96.5	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-62	-39.5	177.3	-81.5	-70.4	0	0	0	112.2	F439 L475 E476 R481 G482 V483 L484 T485	F439-N479 HydrophobicContact CB-CB 4.26Å; F439-N479 WeakPolarHBondContact CB-OD1 3.44Å; L475-N479 WeakPolarHBondContact O-CB 3.29Å; L475-N479 PolarHBondContact O-N 2.91Å; L475-N479 PolarHBondContact O-ND2 3.43Å; E476-N479 PolarHBondContact O-N 2.85Å; N479-R481 PolarHBondContact O-N 3.08Å; N479-R481 VanDerWaalsContact O-N 3.12Å; N479-G482 PolarHBondContact O-N 3.34Å; N479-G482 VanDerWaalsContact O-N 3.16Å; N479-V483 VanDerWaalsContact CA-O 3.32Å; N479-V483 WeakPolarHBondContact CA-O 3.42Å; N479-V483 PolarHBondContact OD1-O 3.1Å; N479-V483 VanDerWaalsContact OD1-O 3.12Å; N479-L484 WeakPolarHBondContact OD1-CA 3.5Å; N479-T485 PolarHBondContact ND2-OG1 2.67Å; N479-T485 PolarHBondContact OD1-N 3.09Å; N479-T485 PolarHBondContact OD1-OG1 2.9Å
480	R	97.1	Very high	96.8	Very high	137 Å²	137	39 Å²	39	52%	0.517	18%	0.177	S	C	.	.	H	α-helix	trans	-58.5	-25	176.5	-76.9	173	177.1	-107.9	4.6	113.5	Q433 T440 E476 V478	Q433-R480 PolarHBondContact NE2-O 2.75Å; T440-R480 HydrophobicContact CG2-CG 3.67Å; E476-R480 VanDerWaalsContact O-CG 3.31Å; E476-R480 WeakPolarHBondContact O-CG 3.39Å; E476-R480 PolarHBondContact O-N 3.07Å; E476-R480 VanDerWaalsContact O-N 3.11Å; E476-R480 IonicContact OE1-CZ 3.98Å; E476-R480 IonicContact OE1-NE 3.39Å; E476-R480 PolarHBondContact OE1-NE 2.93Å; E476-R480 IonicContact OE1-NH2 3.53Å; E476-R480 PolarHBondContact OE1-NH2 2.99Å; V478-R480 VanDerWaalsContact C-N 3.33Å; V478-R480 PolarHBondContact O-N 2.91Å
481	R	97.1	Very high	97.2	Very high	99 Å²	99	35.7 Å²	35.7	37%	0.374	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.4	17.9	-178	-67.8	-167.4	66.3	162.4	4.4	113.8	V478 N479 F644 D648	V478-R481 CarbonylContact O-C 3.5Å; V478-R481 PolarHBondContact O-N 3.08Å; V478-R481 VanDerWaalsContact O-N 3.1Å; N479-R481 PolarHBondContact O-N 3.08Å; N479-R481 VanDerWaalsContact O-N 3.12Å; R481-F644 HydrophobicContact CB-CD1 4.45Å; R481-F644 HydrophobicContact CB-CE1 3.63Å; R481-F644 HydrophobicContact CB-CE2 3.92Å; R481-F644 HydrophobicContact CB-CZ 3.33Å; R481-F644 HydrophobicContact CG-CE2 4.37Å; R481-F644 HydrophobicContact CG-CZ 4.23Å; R481-F644 VanDerWaalsContact CZ-CG 3.45Å; R481-D648 IonicContact CZ-OD1 3.55Å; R481-D648 IonicContact CZ-OD2 3.46Å; R481-D648 IonicContact NH1-OD2 2.93Å; R481-D648 PolarHBondContact NH1-OD2 3.23Å; R481-D648 VanDerWaalsContact NH1-OD2 3.1Å; R481-D648 IonicContact NH2-OD1 3.84Å; R481-D648 PolarHBondContact NH2-OD1 2.98Å; R481-D648 IonicContact NH2-OD2 2.63Å; R481-D648 PolarHBondContact NH2-OD2 3.2Å
482	G	97.1	Very high	97.4	Very high	3 Å²	3	35.2 Å²	35.2	3%	0.031	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.3	14.2	171.8	0	0	0	0	0	115.7	F436 V478 N479 T521	F436-G482 VanDerWaalsContact CE2-CA 3.42Å; V478-G482 PolarHBondContact O-N 2.76Å; N479-G482 PolarHBondContact O-N 3.34Å; N479-G482 VanDerWaalsContact O-N 3.16Å; G482-T521 PolarHBondContact O-OG1 3.4Å
483	V	98.4	Very high	97.6	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	17%	0.173	C	C	.	.			trans	-93.9	88.2	166.4	174.7	0	0	0	0	107.2	V478 N479 T485 F519 I640 M643 F644	V478-V483 HydrophobicContact CB-CB 3.88Å; V478-V483 HydrophobicContact CB-CG1 4Å; V478-V483 HydrophobicContact CG2-CB 4.25Å; V478-V483 HydrophobicContact CG2-CG1 4.01Å; V478-V483 WeakPolarHBondContact O-CB 3.44Å; V478-V483 PolarHBondContact O-N 3.05Å; V478-V483 VanDerWaalsContact O-N 3.15Å; N479-V483 VanDerWaalsContact CA-O 3.32Å; N479-V483 WeakPolarHBondContact CA-O 3.42Å; N479-V483 PolarHBondContact OD1-O 3.1Å; N479-V483 VanDerWaalsContact OD1-O 3.12Å; V483-T485 HydrophobicContact CG1-CG2 4.44Å; V483-T485 PolarHBondContact O-N 3.37Å; V483-F519 HydrophobicContact CB-CD2 4.33Å; V483-F519 HydrophobicContact CG1-CB 3.98Å; V483-F519 HydrophobicContact CG1-CD1 3.89Å; V483-F519 HydrophobicContact CG1-CD2 3.51Å; V483-F519 HydrophobicContact CG1-CE1 4.18Å; V483-F519 HydrophobicContact CG1-CE2 3.81Å; V483-F519 HydrophobicContact CG1-CG 3.52Å; V483-F519 HydrophobicContact CG1-CZ 4.13Å; V483-I640 HydrophobicContact CG2-CG2 4.23Å; V483-M643 HydrophobicContact CG2-CE 3.85Å; V483-F644 HydrophobicContact CG2-CE1 4.12Å; V483-F644 HydrophobicContact CG2-CZ 3.71Å
484	L	98.6	Very high	97.6	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	90.9	-167.3	-55.8	-177.6	0	0	0	111.6	V435 F436 F439 N479 F519 F520 W595 Y620	V435-L484 HydrophobicContact CG1-CD1 4.26Å; F436-L484 HydrophobicContact CB-CD2 4.27Å; F436-L484 HydrophobicContact CD1-CD1 3.98Å; F436-L484 HydrophobicContact CD1-CD2 3.49Å; F436-L484 VanDerWaalsContact CD1-CD2 3.49Å; F436-L484 HydrophobicContact CD1-CG 4.16Å; F436-L484 HydrophobicContact CE1-CD1 4.01Å; F436-L484 HydrophobicContact CE1-CD2 4.12Å; F436-L484 HydrophobicContact CE1-CG 4.34Å; F436-L484 HydrophobicContact CG-CD2 4.05Å; F439-L484 HydrophobicContact CB-CD2 4.35Å; F439-L484 HydrophobicContact CD1-CB 3.93Å; F439-L484 HydrophobicContact CD1-CD2 4.48Å; F439-L484 HydrophobicContact CD2-CD2 4.1Å; F439-L484 HydrophobicContact CE1-CB 3.7Å; F439-L484 HydrophobicContact CE2-CB 4.28Å; F439-L484 HydrophobicContact CE2-CD1 4.15Å; F439-L484 HydrophobicContact CE2-CD2 4.49Å; F439-L484 HydrophobicContact CG-CB 4.33Å; F439-L484 HydrophobicContact CG-CD2 4.08Å; F439-L484 HydrophobicContact CZ-CB 3.86Å; F439-L484 HydrophobicContact CZ-CD1 4.35Å; N479-L484 WeakPolarHBondContact OD1-CA 3.5Å; L484-F519 CarbonylContact O-C 3.59Å; L484-F519 WeakPolarHBondContact O-CA 2.86Å; L484-F519 VanDerWaalsContact O-CB 3.32Å; L484-F519 WeakPolarHBondContact O-CB 3.42Å; L484-F520 HydrophobicContact CB-CB 4.25Å; L484-F520 WeakPolarHBondContact CB-O 3.28Å; L484-F520 PolarHBondContact N-O 3.4Å; L484-F520 PolarHBondContact O-N 3.05Å; L484-W595 HydrophobicContact CD1-CH2 4.03Å; L484-W595 HydrophobicContact CD1-CZ2 4.32Å; L484-Y620 HydrophobicContact CD1-CE2 4.16Å
485	T	98.4	Very high	97.7	Very high	8 Å²	8	31.7 Å²	31.7	5%	0.049	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	134	-170.1	62.5	0	0	0	0	112.5	L475 V478 N479 V483 L517 E518 F519	L475-T485 HydrophobicContact CD2-CG2 3.81Å; V478-T485 HydrophobicContact CG2-CG2 3.93Å; N479-T485 PolarHBondContact ND2-OG1 2.67Å; N479-T485 PolarHBondContact OD1-N 3.09Å; N479-T485 PolarHBondContact OD1-OG1 2.9Å; V483-T485 HydrophobicContact CG1-CG2 4.44Å; V483-T485 PolarHBondContact O-N 3.37Å; T485-L517 HydrophobicContact CG2-CD1 3.85Å; T485-E518 WeakPolarHBondContact CA-O 3.3Å; T485-F519 HydrophobicContact CG2-CB 4.16Å
486	I	97.9	Very high	97.7	Very high	7 Å²	7	35.3 Å²	35.3	4%	0.036	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	-17.6	178.1	64.5	173.3	0	0	0	113.3	F439 W459 N460 E518 F520 W587 L622	F439-I486 HydrophobicContact CE1-CG2 4.05Å; W459-I486 HydrophobicContact CB-CB 4.09Å; W459-I486 HydrophobicContact CB-CG2 4.27Å; W459-I486 HydrophobicContact CD2-CB 4.35Å; W459-I486 HydrophobicContact CD2-CG2 3.6Å; W459-I486 HydrophobicContact CE3-CG2 3.6Å; W459-I486 HydrophobicContact CG-CB 4.1Å; W459-I486 HydrophobicContact CG-CD1 4.22Å; W459-I486 HydrophobicContact CG-CG2 3.87Å; W459-I486 HydrophobicContact CZ3-CG2 4.31Å; N460-I486 PolarHBondContact ND2-O 3.23Å; N460-I486 VanDerWaalsContact ND2-O 3.07Å; N460-I486 PolarHBondContact OD1-O 2.89Å; I486-E518 HydrophobicContact CD1-CG 4.23Å; I486-E518 HydrophobicContact CG1-CB 4.4Å; I486-E518 HydrophobicContact CG1-CG 3.98Å; I486-E518 PolarHBondContact N-O 3.05Å; I486-F520 HydrophobicContact CD1-CD2 4.42Å; I486-F520 HydrophobicContact CD1-CE2 3.9Å; I486-F520 HydrophobicContact CG2-CD2 4.11Å; I486-F520 HydrophobicContact CG2-CE2 4.23Å; I486-W587 HydrophobicContact CD1-CZ2 4.12Å; I486-L622 HydrophobicContact CD1-CD1 3.79Å
487	N	98.3	Very high	97.6	Very high	23 Å²	23	33.4 Å²	33.4	12%	0.123	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	144.4	178.2	-167.5	0.4	0	0	0	110.9	I369 Y516 E518	I369-N487 PolarHBondContact O-ND2 2.89Å; I369-N487 VanDerWaalsContact O-ND2 3.09Å; N487-Y516 HydrophobicContact CB-CE1 4.02Å; N487-E518 HydrophobicContact CB-CB 4Å; N487-E518 PolarHBondContact N-O 3.13Å; N487-E518 PolarHBondContact O-N 3.01Å
488	S	97.6	Very high	97.4	Very high	16 Å²	16	32.2 Å²	32.2	11%	0.112	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.5	147.8	-179.3	63.5	0	0	0	0	111.1	Y516	S488-Y516 VanDerWaalsContact CA-O 3.3Å; S488-Y516 WeakPolarHBondContact CA-O 3.33Å
489	Q	97.4	Very high	97.3	Very high	12 Å²	12	33.6 Å²	33.6	6%	0.056	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	146.2	163.2	60.5	171.1	47.1	0	0	110.4	I369 K514 A515 Y516 V563 T564	I369-Q489 HydrophobicContact CD1-CG 4.16Å; Q489-K514 PolarHBondContact NE2-O 3.45Å; Q489-A515 WeakPolarHBondContact O-CA 3.36Å; Q489-Y516 PolarHBondContact N-O 2.73Å; Q489-Y516 PolarHBondContact O-N 2.73Å; Q489-V563 PolarHBondContact NE2-O 3.04Å; Q489-V563 VanDerWaalsContact NE2-O 3.13Å; Q489-T564 PolarHBondContact NE2-OG1 3.49Å; Q489-T564 PolarHBondContact OE1-OG1 3.11Å; Q489-T564 VanDerWaalsContact OE1-OG1 3.12Å
490	P	97.3	Very high	97	Very high	7 Å²	7	38.9 Å²	38.9	5%	0.045	22%	0.218	C	C	.	.			trans	-70.1	163.1	175.1	32.6	-37.7	0	0	0	111.1	E467 F470 L471 I492 Q513	E467-P490 HydrophobicContact CB-CG 4.29Å; F470-P490 HydrophobicContact CD2-CB 4.48Å; F470-P490 HydrophobicContact CD2-CG 4.12Å; L471-P490 HydrophobicContact CD1-CB 4.29Å; L471-P490 HydrophobicContact CD2-CB 4.18Å; L471-P490 HydrophobicContact CG-CB 4.38Å; P490-I492 HydrophobicContact CG-CD1 4.13Å; P490-I492 HydrophobicContact CG-CG1 4.34Å; P490-Q513 WeakPolarHBondContact O-CB 3.38Å; P490-Q513 PolarHBondContact O-OE1 3.34Å
491	N	97.3	Very high	96.8	Very high	44 Å²	44	34 Å²	34	24%	0.235	20%	0.203	C	C	.	.			trans	-79.3	138.6	163.2	64.1	-60.6	0	0	0	110.4	Q513 A515 F630 L632	N491-Q513 CarbonylContact C-O 3.51Å; N491-Q513 VanDerWaalsContact CA-O 3.26Å; N491-Q513 WeakPolarHBondContact CA-O 3.41Å; N491-A515 HydrophobicContact CB-CB 3.99Å; N491-F630 PolarHBondContact ND2-O 3.32Å; N491-L632 PolarHBondContact ND2-O 2.85Å
492	I	97.9	Very high	96.7	Very high	11 Å²	11	29.4 Å²	29.4	6%	0.056	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	124.8	179.5	-59	-64	0	0	0	108.3	P490 K495 V502 F512 Q513	P490-I492 HydrophobicContact CG-CD1 4.13Å; P490-I492 HydrophobicContact CG-CG1 4.34Å; I492-K495 HydrophobicContact CD1-CD 4.14Å; I492-K495 HydrophobicContact CG2-CB 3.74Å; I492-K495 HydrophobicContact CG2-CD 3.81Å; I492-K495 HydrophobicContact CG2-CG 3.73Å; I492-V502 HydrophobicContact CD1-CG1 4.1Å; I492-V502 HydrophobicContact CD1-CG2 4.31Å; I492-V502 HydrophobicContact CG1-CG1 4.2Å; I492-V502 HydrophobicContact CG1-CG2 4.32Å; I492-V502 HydrophobicContact CG2-CG2 4.28Å; I492-F512 VanDerWaalsContact O-CA 3.28Å; I492-F512 WeakPolarHBondContact O-CA 3.34Å; I492-Q513 HydrophobicContact CB-CB 3.92Å; I492-Q513 HydrophobicContact CB-CG 4.28Å; I492-Q513 HydrophobicContact CG1-CB 4.01Å; I492-Q513 HydrophobicContact CG1-CG 4.19Å; I492-Q513 PolarHBondContact N-O 2.89Å; I492-Q513 PolarHBondContact O-N 3.39Å
493	N	97.8	Very high	96.6	Very high	93 Å²	93	29.7 Å²	29.7	50%	0.497	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	80.6	-179	-172.5	14.8	0	0	0	110.8
494	G	97.2	Very high	96.4	Very high	20 Å²	20	30 Å²	30	21%	0.206	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	69.4	50.8	170.2	0	0	0	0	0	114.1	Y510 V511 F512	G494-Y510 WeakPolarHBondContact O-CD1 3.21Å; G494-V511 VanDerWaalsContact CA-O 3.3Å; G494-V511 WeakPolarHBondContact CA-O 3.35Å; G494-V511 PolarHBondContact N-O 2.74Å; G494-F512 VanDerWaalsContact N-CE1 3.29Å
495	K	97.6	Very high	96.1	Very high	61 Å²	61	30.4 Å²	30.4	27%	0.265	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	153.2	171	-85	-176.3	162.3	-153.3	0	111.2	I492 D499 V502 Y510 V511	I492-K495 HydrophobicContact CD1-CD 4.14Å; I492-K495 HydrophobicContact CG2-CB 3.74Å; I492-K495 HydrophobicContact CG2-CD 3.81Å; I492-K495 HydrophobicContact CG2-CG 3.73Å; K495-D499 WeakPolarHBondContact CD-OD2 3.36Å; K495-D499 IonicContact NZ-OD1 2.88Å; K495-D499 IonicContact NZ-OD2 2.75Å; K495-D499 PolarHBondContact NZ-OD2 3.24Å; K495-V502 HydrophobicContact CB-CG2 4.27Å; K495-V502 HydrophobicContact CD-CG2 3.59Å; K495-Y510 CarbonylContact O-C 3.58Å; K495-Y510 VanDerWaalsContact O-CA 3.23Å; K495-Y510 WeakPolarHBondContact O-CA 3.47Å; K495-V511 HydrophobicContact CB-CG2 4.24Å; K495-V511 PolarHBondContact N-O 2.92Å; K495-V511 VanDerWaalsContact N-O 3.08Å; K495-V511 PolarHBondContact O-N 3.15Å
496	P	97.9	Very high	95.7	Very high	76 Å²	76	31.2 Å²	31.2	49%	0.494	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.5	141.3	174.2	-24.1	34.2	0	0	0	111.9	G498 D499	P496-G498 PolarHBondContact O-N 3Å; P496-G498 VanDerWaalsContact O-N 3.09Å; P496-D499 VanDerWaalsContact O-CB 3.3Å; P496-D499 WeakPolarHBondContact O-CB 3.43Å; P496-D499 PolarHBondContact O-N 3.08Å
497	S	95.8	Very high	95.3	Very high	4 Å²	4	35 Å²	35	3%	0.028	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-17.4	178	61.4	0	0	0	0	114.4	G503 W504 P506 G508 G509	S497-G503 CarbonylContact O-C 3.53Å; S497-G503 WeakPolarHBondContact O-CA 3.23Å; S497-W504 WeakPolarHBondContact CB-O 3.5Å; S497-W504 PolarHBondContact O-N 3.44Å; S497-P506 WeakPolarHBondContact CB-O 3.26Å; S497-P506 PolarHBondContact OG-O 2.82Å; S497-G508 PolarHBondContact OG-N 2.91Å; S497-G509 PolarHBondContact N-O 3.44Å; S497-G509 PolarHBondContact OG-N 3.47Å; S497-G509 VanDerWaalsContact OG-N 3.12Å
498	G	93.1	Very high	95	Very high	55 Å²	55	36.5 Å²	36.5	57%	0.567	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.6	11.5	172.5	0	0	0	0	0	115	P496	P496-G498 PolarHBondContact O-N 3Å; P496-G498 VanDerWaalsContact O-N 3.09Å
499	D	95.2	Very high	95	Very high	30 Å²	30	35.9 Å²	35.9	16%	0.16	24%	0.242	C	C	.	.			trans	-58.4	130.9	174.1	178.7	-69.6	0	0	0	110.1	K495 P496 V501 V502 G503	K495-D499 WeakPolarHBondContact CD-OD2 3.36Å; K495-D499 IonicContact NZ-OD1 2.88Å; K495-D499 IonicContact NZ-OD2 2.75Å; K495-D499 PolarHBondContact NZ-OD2 3.24Å; P496-D499 VanDerWaalsContact O-CB 3.3Å; P496-D499 WeakPolarHBondContact O-CB 3.43Å; P496-D499 PolarHBondContact O-N 3.08Å; D499-V501 PolarHBondContact O-N 3.28Å; D499-V501 WeakPolarHBondContact OD1-CA 3.45Å; D499-V501 WeakPolarHBondContact OD1-CB 3.43Å; D499-V501 PolarHBondContact OD1-N 3.04Å; D499-V502 HydrophobicContact CB-CG2 4.16Å; D499-V502 PolarHBondContact OD1-N 2.71Å; D499-G503 WeakPolarHBondContact O-CA 3.41Å; D499-G503 PolarHBondContact O-N 3.32Å
500	P	91.7	Very high	95	Very high	111 Å²	111	41.5 Å²	41.5	72%	0.721	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.4	-15	-172.8	27.7	-35.4	0	0	0	114
501	V	93.2	Very high	95	Very high	33 Å²	33	41.2 Å²	41.2	20%	0.2	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.6	-53.4	-177	-178.9	0	0	0	0	110.1	R349 P466 E467 F470 D499	R349-V501 PolarHBondContact NH2-O 2.99Å; P466-V501 HydrophobicContact CB-CG1 4.04Å; E467-V501 HydrophobicContact CB-CG1 3.9Å; F470-V501 HydrophobicContact CE2-CB 4.42Å; F470-V501 HydrophobicContact CE2-CG1 3.59Å; F470-V501 HydrophobicContact CZ-CB 4.42Å; F470-V501 HydrophobicContact CZ-CG1 3.93Å; F470-V501 HydrophobicContact CZ-CG2 4.45Å; D499-V501 PolarHBondContact O-N 3.28Å; D499-V501 WeakPolarHBondContact OD1-CA 3.45Å; D499-V501 WeakPolarHBondContact OD1-CB 3.43Å; D499-V501 PolarHBondContact OD1-N 3.04Å
502	V	94.9	Very high	95.1	Very high	3 Å²	3	40.6 Å²	40.6	2%	0.018	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.5	-3.2	-172.4	-58.6	0	0	0	0	113.9	E467 I492 K495 D499 W504 V511	E467-V502 HydrophobicContact CB-CG1 4.06Å; I492-V502 HydrophobicContact CD1-CG1 4.1Å; I492-V502 HydrophobicContact CD1-CG2 4.31Å; I492-V502 HydrophobicContact CG1-CG1 4.2Å; I492-V502 HydrophobicContact CG1-CG2 4.32Å; I492-V502 HydrophobicContact CG2-CG2 4.28Å; K495-V502 HydrophobicContact CB-CG2 4.27Å; K495-V502 HydrophobicContact CD-CG2 3.59Å; D499-V502 HydrophobicContact CB-CG2 4.16Å; D499-V502 PolarHBondContact OD1-N 2.71Å; V502-W504 VanDerWaalsContact O-CD1 3.32Å; V502-V511 HydrophobicContact CG2-CG2 4.27Å
503	G	94.8	Very high	95.1	Very high	9 Å²	9	40.5 Å²	40.5	9%	0.093	26%	0.256	C	S	.	.			trans	-68.9	142.7	-177.8	0	0	0	0	0	113.2	R349 S497 D499	R349-G503 PolarHBondContact NH2-O 3.41Å; S497-G503 CarbonylContact O-C 3.53Å; S497-G503 WeakPolarHBondContact O-CA 3.23Å; D499-G503 WeakPolarHBondContact O-CA 3.41Å; D499-G503 PolarHBondContact O-N 3.32Å
504	W	95.1	Very high	95.2	Very high	6 Å²	6	37.3 Å²	37.3	2%	0.023	24%	0.238	C	C	.	.			trans	-159.5	163.7	173.4	59.9	-89.1	0	0	0	110.2	R349 L351 P352 S497 V502 V511 T564 F568 V574 P576	R349-W504 HydrophobicContact CB-CB 4.47Å; R349-W504 CarbonylContact O-C 3.57Å; R349-W504 VanDerWaalsContact O-CA 3.23Å; R349-W504 WeakPolarHBondContact O-CA 3.43Å; R349-W504 WeakPolarHBondContact O-CB 3.4Å; L351-W504 HydrophobicContact CD2-CE3 4.16Å; L351-W504 HydrophobicContact CD2-CZ3 3.94Å; P352-W504 HydrophobicContact CG-CD2 3.95Å; P352-W504 HydrophobicContact CG-CG 3.95Å; P352-W504 HydrophobicContact CG-CZ2 4.44Å; S497-W504 WeakPolarHBondContact CB-O 3.5Å; S497-W504 PolarHBondContact O-N 3.44Å; V502-W504 VanDerWaalsContact O-CD1 3.32Å; W504-V511 HydrophobicContact CD2-CG1 4.2Å; W504-V511 HydrophobicContact CG-CG1 4.26Å; W504-V511 HydrophobicContact CZ2-CG1 4.26Å; W504-T564 HydrophobicContact CZ2-CG2 4.21Å; W504-F568 HydrophobicContact CD2-CZ 4.47Å; W504-F568 HydrophobicContact CE3-CE2 4.45Å; W504-F568 AromaticContact CE3-CZ 3.89Å; W504-F568 HydrophobicContact CE3-CZ 3.89Å; W504-F568 AromaticContact CH2-CE2 3.97Å; W504-F568 HydrophobicContact CH2-CE2 3.97Å; W504-F568 AromaticContact CH2-CZ 3.98Å; W504-F568 HydrophobicContact CH2-CZ 3.98Å; W504-F568 AromaticContact CZ3-CE2 3.74Å; W504-F568 HydrophobicContact CZ3-CE2 3.74Å; W504-F568 AromaticContact CZ3-CZ 3.62Å; W504-F568 HydrophobicContact CZ3-CZ 3.62Å; W504-F568 WeakPolarHBondContact O-CE1 3.5Å; W504-V574 HydrophobicContact CH2-CB 4.1Å; W504-V574 HydrophobicContact CH2-CG1 4.17Å; W504-V574 HydrophobicContact CZ3-CB 4.19Å; W504-V574 HydrophobicContact CZ3-CG1 4.06Å; W504-P576 VanDerWaalsContact CH2-CD 3.49Å; W504-P576 HydrophobicContact CH2-CG 3.59Å; W504-P576 HydrophobicContact CZ2-CG 3.74Å; W504-P576 HydrophobicContact CZ3-CG 4.07Å
505	G	92.1	Very high	95.2	Very high	9 Å²	9	36.5 Å²	36.5	9%	0.093	23%	0.229	C	C	.	.	S	Bend	trans	80	-169.1	177.1	0	0	0	0	0	114.3	R349 P350	R349-G505 PolarHBondContact O-N 3.3Å; P350-G505 WeakPolarHBondContact O-CA 3.38Å; P350-G505 PolarHBondContact O-N 2.87Å
506	P	89.6	Confident	95.3	Very high	25 Å²	25	33.8 Å²	33.8	16%	0.162	22%	0.217	C	C	.	.	S	Bend	trans	-60	152.1	-177.5	-26.5	35.1	0	0	0	114.1	S497 F568 R571	S497-P506 WeakPolarHBondContact CB-O 3.26Å; S497-P506 PolarHBondContact OG-O 2.82Å; P506-F568 HydrophobicContact CB-CB 4.49Å; P506-F568 HydrophobicContact CB-CD1 4.1Å; P506-F568 HydrophobicContact CB-CG 4.45Å; P506-F568 HydrophobicContact CG-CB 4.49Å; P506-F568 HydrophobicContact CG-CD1 4.22Å; P506-F568 HydrophobicContact CG-CG 4.27Å; P506-F568 WeakPolarHBondContact O-CD1 3.5Å; P506-R571 VanDerWaalsContact CG-NH1 3.3Å
507	P	90.3	Very high	95.3	Very high	86 Å²	86	30.1 Å²	30.1	56%	0.558	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.8	153.6	175.1	21.4	-28.9	0	0	0	113.2	R348 G509	R348-P507 VanDerWaalsContact NH1-CB 3.34Å; P507-G509 VanDerWaalsContact C-N 3.26Å; P507-G509 PolarHBondContact O-N 2.94Å
508	G	92.6	Very high	95.5	Very high	56 Å²	56	30 Å²	30	58%	0.577	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	77.2	8.9	172.3	0	0	0	0	0	114.7	S497 P569	S497-G508 PolarHBondContact OG-N 2.91Å; G508-P569 WeakPolarHBondContact O-CD 3.39Å; G508-P569 WeakPolarHBondContact O-CG 3.44Å
509	G	96.1	Very high	95.7	Very high	2 Å²	2	27.3 Å²	27.3	2%	0.021	17%	0.165	C	C	.	.			trans	-94.9	-175.3	173.5	0	0	0	0	0	113.3	S497 P507 I567	S497-G509 PolarHBondContact N-O 3.44Å; S497-G509 PolarHBondContact OG-N 3.47Å; S497-G509 VanDerWaalsContact OG-N 3.12Å; P507-G509 VanDerWaalsContact C-N 3.26Å; P507-G509 PolarHBondContact O-N 2.94Å; G509-I567 CarbonylContact C-O 3.6Å; G509-I567 WeakPolarHBondContact CA-O 3.23Å
510	Y	98	Very high	95.9	Very high	130 Å²	130	25.9 Å²	25.9	51%	0.51	16%	0.158	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	137	176.4	-61.7	-86.2	0	0	0	110.5	G494 K495 G566 I567	G494-Y510 WeakPolarHBondContact O-CD1 3.21Å; K495-Y510 CarbonylContact O-C 3.58Å; K495-Y510 VanDerWaalsContact O-CA 3.23Å; K495-Y510 WeakPolarHBondContact O-CA 3.47Å; Y510-G566 CarbonylContact O-C 3.51Å; Y510-G566 VanDerWaalsContact O-CA 3.31Å; Y510-G566 WeakPolarHBondContact O-CA 3.15Å; Y510-I567 PolarHBondContact N-O 3.22Å; Y510-I567 PolarHBondContact O-N 3.01Å
511	V	98.1	Very high	96.3	Very high	2 Å²	2	20.6 Å²	20.6	1%	0.012	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	146.3	179.4	-62.4	0	0	0	0	110.8	G494 K495 V502 W504 F568	G494-V511 VanDerWaalsContact CA-O 3.3Å; G494-V511 WeakPolarHBondContact CA-O 3.35Å; G494-V511 PolarHBondContact N-O 2.74Å; K495-V511 HydrophobicContact CB-CG2 4.24Å; K495-V511 PolarHBondContact N-O 2.92Å; K495-V511 VanDerWaalsContact N-O 3.08Å; K495-V511 PolarHBondContact O-N 3.15Å; V502-V511 HydrophobicContact CG2-CG2 4.27Å; W504-V511 HydrophobicContact CD2-CG1 4.2Å; W504-V511 HydrophobicContact CG-CG1 4.26Å; W504-V511 HydrophobicContact CZ2-CG1 4.26Å; V511-F568 HydrophobicContact CG1-CZ 4.47Å
512	F	98.5	Very high	96.5	Very high	30 Å²	30	19.8 Å²	19.8	13%	0.132	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	145.7	-174.9	-60.4	-97.3	0	0	0	110.3	I492 G494 T564 W565 I567 F630	I492-F512 VanDerWaalsContact O-CA 3.28Å; I492-F512 WeakPolarHBondContact O-CA 3.34Å; G494-F512 VanDerWaalsContact N-CE1 3.29Å; F512-T564 WeakPolarHBondContact O-CA 3.45Å; F512-W565 HydrophobicContact CB-CD2 3.73Å; F512-W565 HydrophobicContact CB-CE3 4.28Å; F512-W565 HydrophobicContact CB-CG 4.19Å; F512-W565 HydrophobicContact CB-CH2 4Å; F512-W565 HydrophobicContact CB-CZ2 3.42Å; F512-W565 VanDerWaalsContact CB-CZ2 3.42Å; F512-W565 HydrophobicContact CB-CZ3 4.4Å; F512-W565 HydrophobicContact CD1-CZ2 4.21Å; F512-W565 AromaticContact CD2-CD1 3.76Å; F512-W565 AromaticContact CD2-NE1 3.41Å; F512-W565 AromaticContact CG-CE2 3.71Å; F512-W565 AromaticContact CG-CZ2 3.92Å; F512-W565 HydrophobicContact CG-CZ2 3.92Å; F512-W565 AromaticContact CG-NE1 3.43Å; F512-W565 PolarHBondContact N-O 2.68Å; F512-W565 PolarHBondContact O-N 2.75Å; F512-I567 HydrophobicContact CE2-CD1 3.95Å; F512-I567 HydrophobicContact CE2-CG1 4.12Å; F512-I567 HydrophobicContact CZ-CD1 4.47Å; F512-F630 HydrophobicContact CD1-CD2 4.34Å; F512-F630 AromaticContact CD1-CE2 3.94Å; F512-F630 HydrophobicContact CD1-CE2 3.94Å; F512-F630 HydrophobicContact CE1-CE2 4.43Å
513	Q	98.6	Very high	96.6	Very high	9 Å²	9	22 Å²	22	4%	0.042	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	138.5	176.7	-69.3	174.3	-24.4	0	0	110.2	E467 P490 N491 I492 V563 T564 F630	E467-Q513 PolarHBondContact OE2-NE2 3.45Å; P490-Q513 WeakPolarHBondContact O-CB 3.38Å; P490-Q513 PolarHBondContact O-OE1 3.34Å; N491-Q513 CarbonylContact C-O 3.51Å; N491-Q513 VanDerWaalsContact CA-O 3.26Å; N491-Q513 WeakPolarHBondContact CA-O 3.41Å; I492-Q513 HydrophobicContact CB-CB 3.92Å; I492-Q513 HydrophobicContact CB-CG 4.28Å; I492-Q513 HydrophobicContact CG1-CB 4.01Å; I492-Q513 HydrophobicContact CG1-CG 4.19Å; I492-Q513 PolarHBondContact N-O 2.89Å; I492-Q513 PolarHBondContact O-N 3.39Å; Q513-V563 CarbonylContact C-O 3.57Å; Q513-V563 VanDerWaalsContact CA-O 3.25Å; Q513-V563 WeakPolarHBondContact CA-O 3.4Å; Q513-T564 HydrophobicContact CG-CG2 3.91Å; Q513-F630 WeakPolarHBondContact O-CB 3.49Å
514	K	98.7	Very high	96.7	Very high	26 Å²	26	27 Å²	27	11%	0.113	16%	0.156	C	C	.	.			trans	-82.4	146.3	159.8	-73.1	176.9	-177.1	-177	0	109.1	Q489 N561 A562 V563 W565 V626 D627 N628 F630	Q489-K514 PolarHBondContact NE2-O 3.45Å; K514-N561 PolarHBondContact NZ-OD1 3.46Å; K514-A562 WeakPolarHBondContact CD-O 3.44Å; K514-V563 HydrophobicContact CB-CB 4.3Å; K514-V563 HydrophobicContact CB-CG1 4.35Å; K514-V563 HydrophobicContact CD-CG1 4.39Å; K514-V563 PolarHBondContact N-O 2.89Å; K514-W565 HydrophobicContact CG-CH2 4.31Å; K514-W565 HydrophobicContact CG-CZ3 4.09Å; K514-V626 HydrophobicContact CB-CG1 4.05Å; K514-V626 HydrophobicContact CD-CG1 3.91Å; K514-D627 WeakPolarHBondContact CB-O 3.45Å; K514-N628 PolarHBondContact NZ-OD1 3.16Å; K514-F630 HydrophobicContact CG-CB 4.22Å
515	A	98.5	Very high	96.8	Very high	3 Å²	3	27.5 Å²	27.5	3%	0.025	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	137.7	174	0	0	0	0	0	109.8	Q489 N491 V626 D627 S634 L636	Q489-A515 WeakPolarHBondContact O-CA 3.36Å; N491-A515 HydrophobicContact CB-CB 3.99Å; A515-V626 WeakPolarHBondContact O-CA 3.38Å; A515-D627 HydrophobicContact CB-CB 4.23Å; A515-D627 PolarHBondContact O-N 3.33Å; A515-D627 VanDerWaalsContact O-N 3.07Å; A515-S634 WeakPolarHBondContact CB-OG 3.28Å; A515-L636 HydrophobicContact CB-CD1 4.01Å
516	Y	98.7	Very high	97.1	Very high	4 Å²	4	27.3 Å²	27.3	2%	0.016	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	141.2	-178.6	178.8	-107.3	0	0	0	110.1	I369 F370 N487 S488 Q489 E518 V579 N624 L625 V626	I369-Y516 HydrophobicContact CD1-CD1 3.75Å; I369-Y516 HydrophobicContact CD1-CE1 4.15Å; I369-Y516 HydrophobicContact CD1-CG 3.99Å; I369-Y516 HydrophobicContact CG1-CD1 4.47Å; I369-Y516 HydrophobicContact CG1-CE1 4.41Å; I369-Y516 HydrophobicContact CG2-CD1 4.48Å; I369-Y516 HydrophobicContact CG2-CD2 4.48Å; I369-Y516 HydrophobicContact CG2-CE1 3.89Å; I369-Y516 HydrophobicContact CG2-CE2 3.87Å; F370-Y516 WeakPolarHBondContact CD1-OH 3.23Å; F370-Y516 WeakPolarHBondContact CE1-OH 2.87Å; N487-Y516 HydrophobicContact CB-CE1 4.02Å; S488-Y516 VanDerWaalsContact CA-O 3.3Å; S488-Y516 WeakPolarHBondContact CA-O 3.33Å; Q489-Y516 PolarHBondContact N-O 2.73Å; Q489-Y516 PolarHBondContact O-N 2.73Å; Y516-E518 HydrophobicContact CE1-CB 3.66Å; Y516-E518 WeakPolarHBondContact OH-CB 3.21Å; Y516-E518 VanDerWaalsContact OH-CD 3.31Å; Y516-E518 PolarHBondContact OH-OE2 3.2Å; Y516-V579 HydrophobicContact CD2-CG2 3.9Å; Y516-V579 HydrophobicContact CE2-CG2 3.67Å; Y516-N624 HydrophobicContact CE2-CB 3.78Å; Y516-N624 WeakPolarHBondContact OH-CB 3.29Å; Y516-L625 WeakPolarHBondContact CA-O 3.2Å; Y516-L625 WeakPolarHBondContact CD2-O 2.88Å; Y516-V626 HydrophobicContact CD2-CG2 3.9Å; Y516-V626 HydrophobicContact CE2-CG2 4.43Å
517	L	98.6	Very high	97.4	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	131	172.8	-168.3	66.9	0	0	0	110.3	L475 T485 F519 N624 L625 L636 W637 I640	L475-L517 HydrophobicContact CD2-CD1 3.87Å; T485-L517 HydrophobicContact CG2-CD1 3.85Å; L517-F519 HydrophobicContact CD2-CD1 4.06Å; L517-F519 HydrophobicContact CD2-CE1 4.07Å; L517-F519 HydrophobicContact CG-CD1 3.94Å; L517-F519 HydrophobicContact CG-CE1 4.31Å; L517-N624 CarbonylContact O-C 3.51Å; L517-N624 WeakPolarHBondContact O-CA 3.34Å; L517-L625 PolarHBondContact N-O 3.22Å; L517-L625 PolarHBondContact O-N 3.19Å; L517-L636 HydrophobicContact CB-CD1 3.93Å; L517-W637 HydrophobicContact CD1-CH2 3.86Å; L517-W637 HydrophobicContact CD1-CZ3 4.09Å; L517-W637 HydrophobicContact CD2-CH2 4.38Å; L517-W637 HydrophobicContact CD2-CZ3 3.86Å; L517-I640 HydrophobicContact CD2-CG1 4.4Å
518	E	98.8	Very high	97.8	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	130.6	177.1	-172.8	-178.5	167.8	0	0	111.3	T485 I486 N487 Y516 W587 L622 V623 N624	T485-E518 WeakPolarHBondContact CA-O 3.3Å; I486-E518 HydrophobicContact CD1-CG 4.23Å; I486-E518 HydrophobicContact CG1-CB 4.4Å; I486-E518 HydrophobicContact CG1-CG 3.98Å; I486-E518 PolarHBondContact N-O 3.05Å; N487-E518 HydrophobicContact CB-CB 4Å; N487-E518 PolarHBondContact N-O 3.13Å; N487-E518 PolarHBondContact O-N 3.01Å; Y516-E518 HydrophobicContact CE1-CB 3.66Å; Y516-E518 WeakPolarHBondContact OH-CB 3.21Å; Y516-E518 VanDerWaalsContact OH-CD 3.31Å; Y516-E518 PolarHBondContact OH-OE2 3.2Å; E518-W587 PolarHBondContact OE1-NE1 2.98Å; E518-L622 HydrophobicContact CG-CD1 4.12Å; E518-V623 CarbonylContact C-O 3.47Å; E518-V623 VanDerWaalsContact CA-O 3.23Å; E518-V623 WeakPolarHBondContact CA-O 3.4Å; E518-N624 HydrophobicContact CB-CB 4.37Å; E518-N624 HydrophobicContact CG-CB 4.24Å
519	F	98.8	Very high	98	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	157.7	-171.3	59	-89.8	0	0	0	113.8	V483 L484 T485 L517 T521 L529 V623 L625 I640	V483-F519 HydrophobicContact CB-CD2 4.33Å; V483-F519 HydrophobicContact CG1-CB 3.98Å; V483-F519 HydrophobicContact CG1-CD1 3.89Å; V483-F519 HydrophobicContact CG1-CD2 3.51Å; V483-F519 HydrophobicContact CG1-CE1 4.18Å; V483-F519 HydrophobicContact CG1-CE2 3.81Å; V483-F519 HydrophobicContact CG1-CG 3.52Å; V483-F519 HydrophobicContact CG1-CZ 4.13Å; L484-F519 CarbonylContact O-C 3.59Å; L484-F519 WeakPolarHBondContact O-CA 2.86Å; L484-F519 VanDerWaalsContact O-CB 3.32Å; L484-F519 WeakPolarHBondContact O-CB 3.42Å; T485-F519 HydrophobicContact CG2-CB 4.16Å; L517-F519 HydrophobicContact CD2-CD1 4.06Å; L517-F519 HydrophobicContact CD2-CE1 4.07Å; L517-F519 HydrophobicContact CG-CD1 3.94Å; L517-F519 HydrophobicContact CG-CE1 4.31Å; F519-T521 HydrophobicContact CD2-CG2 3.99Å; F519-T521 HydrophobicContact CE2-CG2 3.6Å; F519-L529 HydrophobicContact CZ-CD2 4.11Å; F519-V623 HydrophobicContact CD1-CB 4.44Å; F519-V623 HydrophobicContact CD2-CB 4.17Å; F519-V623 HydrophobicContact CD2-CG2 4.45Å; F519-V623 HydrophobicContact CE1-CB 4.1Å; F519-V623 HydrophobicContact CE1-CG1 3.94Å; F519-V623 HydrophobicContact CE2-CB 3.81Å; F519-V623 HydrophobicContact CE2-CG1 4.2Å; F519-V623 HydrophobicContact CE2-CG2 3.97Å; F519-V623 HydrophobicContact CG-CB 4.5Å; F519-V623 HydrophobicContact CZ-CB 3.78Å; F519-V623 HydrophobicContact CZ-CG1 3.67Å; F519-V623 HydrophobicContact CZ-CG2 4.3Å; F519-V623 PolarHBondContact N-O 2.91Å; F519-V623 PolarHBondContact O-N 3.46Å; F519-L625 HydrophobicContact CE1-CD1 3.97Å; F519-L625 HydrophobicContact CE1-CG 4.26Å; F519-L625 HydrophobicContact CZ-CD1 4.33Å; F519-I640 HydrophobicContact CE1-CD1 4.24Å; F519-I640 HydrophobicContact CZ-CD1 3.95Å
520	F	98.9	Very high	98.1	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	140.7	163.2	-70	-84	0	0	0	110.6	W459 L484 I486 A591 F592 W595 Y620 F621 L622	W459-F520 HydrophobicContact CD2-CE2 4.46Å; W459-F520 AromaticContact CE2-CE2 3.62Å; W459-F520 HydrophobicContact CH2-CE2 4.41Å; W459-F520 HydrophobicContact CZ2-CD2 4.23Å; W459-F520 AromaticContact CZ2-CE2 3.6Å; W459-F520 HydrophobicContact CZ2-CE2 3.6Å; W459-F520 HydrophobicContact CZ2-CZ 4.25Å; W459-F520 AromaticContact NE1-CE2 3.68Å; L484-F520 HydrophobicContact CB-CB 4.25Å; L484-F520 WeakPolarHBondContact CB-O 3.28Å; L484-F520 PolarHBondContact N-O 3.4Å; L484-F520 PolarHBondContact O-N 3.05Å; I486-F520 HydrophobicContact CD1-CD2 4.42Å; I486-F520 HydrophobicContact CD1-CE2 3.9Å; I486-F520 HydrophobicContact CG2-CD2 4.11Å; I486-F520 HydrophobicContact CG2-CE2 4.23Å; F520-A591 HydrophobicContact CZ-CB 4Å; F520-F592 HydrophobicContact CD1-CE1 4.13Å; F520-F592 HydrophobicContact CD1-CZ 4.14Å; F520-F592 AromaticContact CE1-CD1 3.91Å; F520-F592 HydrophobicContact CE1-CD1 3.91Å; F520-F592 HydrophobicContact CE1-CD2 4.18Å; F520-F592 AromaticContact CE1-CE1 3.66Å; F520-F592 HydrophobicContact CE1-CE1 3.66Å; F520-F592 AromaticContact CE1-CE2 3.93Å; F520-F592 HydrophobicContact CE1-CE2 3.93Å; F520-F592 HydrophobicContact CE1-CG 4.17Å; F520-F592 AromaticContact CE1-CZ 3.66Å; F520-F592 HydrophobicContact CE1-CZ 3.66Å; F520-W595 HydrophobicContact CB-CZ2 4.3Å; F520-W595 AromaticContact CD1-NE1 3.73Å; F520-W595 HydrophobicContact CD2-CZ2 4.02Å; F520-W595 AromaticContact CD2-NE1 3.66Å; F520-W595 AromaticContact CE1-NE1 3.56Å; F520-W595 AromaticContact CE2-NE1 3.49Å; F520-W595 HydrophobicContact CG-CZ2 4.16Å; F520-W595 AromaticContact CG-NE1 3.77Å; F520-W595 AromaticContact CZ-CD1 4Å; F520-W595 AromaticContact CZ-NE1 3.44Å; F520-Y620 HydrophobicContact CB-CD2 4.19Å; F520-F621 CarbonylContact C-O 3.58Å; F520-F621 VanDerWaalsContact CA-O 3.28Å; F520-F621 WeakPolarHBondContact CA-O 3.43Å; F520-L622 HydrophobicContact CD1-CB 4.11Å; F520-L622 HydrophobicContact CD1-CD1 4.18Å; F520-L622 HydrophobicContact CD2-CD1 4.14Å; F520-L622 HydrophobicContact CE1-CB 3.83Å; F520-L622 HydrophobicContact CE1-CD1 3.94Å; F520-L622 HydrophobicContact CE1-CG 4.36Å; F520-L622 HydrophobicContact CE2-CD1 3.9Å; F520-L622 HydrophobicContact CG-CD1 4.28Å; F520-L622 HydrophobicContact CZ-CB 4.43Å; F520-L622 HydrophobicContact CZ-CD1 3.8Å; F520-L622 HydrophobicContact CZ-CG 4.49Å
521	T	98.7	Very high	98.1	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	161.6	173.6	-169.7	0	0	0	0	112	G482 F519 N525 V526 Y620 F621 V623	G482-T521 PolarHBondContact O-OG1 3.4Å; F519-T521 HydrophobicContact CD2-CG2 3.99Å; F519-T521 HydrophobicContact CE2-CG2 3.6Å; T521-N525 HydrophobicContact CG2-CB 4.11Å; T521-N525 WeakPolarHBondContact OG1-CB 3.35Å; T521-N525 PolarHBondContact OG1-ND2 2.94Å; T521-V526 HydrophobicContact CG2-CG2 3.77Å; T521-Y620 WeakPolarHBondContact O-CA 3.42Å; T521-Y620 WeakPolarHBondContact O-CB 3.41Å; T521-F621 PolarHBondContact N-O 2.87Å; T521-F621 PolarHBondContact O-N 3.15Å; T521-V623 HydrophobicContact CG2-CG2 4.11Å
522	S	98.3	Very high	98	Very high	16 Å²	16	24 Å²	24	11%	0.112	13%	0.125	C	C	.	.			trans	-66.4	162.3	178.1	78.6	0	0	0	0	113.7	E524 N525 V526	S522-E524 VanDerWaalsContact C-N 3.29Å; S522-E524 WeakPolarHBondContact CB-OE2 3.2Å; S522-E524 PolarHBondContact O-N 2.91Å; S522-E524 PolarHBondContact OG-OE2 3.22Å; S522-N525 PolarHBondContact O-N 3.1Å; S522-N525 PolarHBondContact OG-N 3.1Å; S522-V526 PolarHBondContact O-N 2.94Å
523	S	96.7	Very high	98	Very high	50 Å²	50	22.8 Å²	22.8	35%	0.35	12%	0.12	S	C	.	.	H	α-helix	trans	-63	-34.3	177.9	-173	0	0	0	0	112.8	V526 T527	S523-V526 PolarHBondContact O-N 3.29Å; S523-T527 PolarHBondContact O-N 2.89Å; S523-T527 PolarHBondContact O-OG1 2.85Å
524	E	96.6	Very high	97.8	Very high	112 Å²	112	29.6 Å²	29.6	52%	0.523	15%	0.149	S	C	.	.	H	α-helix	trans	-62.5	-47.7	176.2	-61.6	70.9	-151.6	0	0	110.3	S522 V526 T527 A528	S522-E524 VanDerWaalsContact C-N 3.29Å; S522-E524 WeakPolarHBondContact CB-OE2 3.2Å; S522-E524 PolarHBondContact O-N 2.91Å; S522-E524 PolarHBondContact OG-OE2 3.22Å; E524-V526 PolarHBondContact O-N 2.93Å; E524-T527 WeakPolarHBondContact O-CB 3.31Å; E524-T527 PolarHBondContact O-N 2.81Å; E524-A528 PolarHBondContact O-N 2.9Å; E524-A528 VanDerWaalsContact O-N 3.11Å
525	N	97.6	Very high	97.7	Very high	18 Å²	18	35.5 Å²	35.5	10%	0.096	18%	0.175	C	C	.	.	H	α-helix	trans	-61.3	-44.4	175.8	-75	0.8	0	0	0	111.2	T521 S522 T527 A528 L529 M643 L647	T521-N525 HydrophobicContact CG2-CB 4.11Å; T521-N525 WeakPolarHBondContact OG1-CB 3.35Å; T521-N525 PolarHBondContact OG1-ND2 2.94Å; S522-N525 PolarHBondContact O-N 3.1Å; S522-N525 PolarHBondContact OG-N 3.1Å; N525-T527 VanDerWaalsContact C-N 3.3Å; N525-T527 PolarHBondContact O-N 3.36Å; N525-A528 PolarHBondContact O-N 3.08Å; N525-L529 VanDerWaalsContact O-CB 3.27Å; N525-L529 WeakPolarHBondContact O-CB 3.44Å; N525-L529 PolarHBondContact O-N 3.19Å; N525-M643 HydrophobicContact CB-CE 4.36Å; N525-M643 HydrophobicContact CB-SD 4.08Å; N525-M643 VanDerWaalsContact O-SD 3.41Å; N525-L647 WeakPolarHBondContact OD1-CD1 3.17Å
526	V	97.8	Very high	97.6	Very high	5 Å²	5	37.3 Å²	37.3	3%	0.03	18%	0.182	C	C	.	.	H	α-helix	trans	-58.8	-41.9	175.8	168	0	0	0	0	112	T521 S522 S523 E524 A528 L529 L530 I544 F621 V623	T521-V526 HydrophobicContact CG2-CG2 3.77Å; S522-V526 PolarHBondContact O-N 2.94Å; S523-V526 PolarHBondContact O-N 3.29Å; E524-V526 PolarHBondContact O-N 2.93Å; V526-A528 VanDerWaalsContact C-N 3.33Å; V526-A528 PolarHBondContact O-N 3.11Å; V526-L529 PolarHBondContact O-N 3.34Å; V526-L530 HydrophobicContact CG1-CD1 3.83Å; V526-L530 HydrophobicContact CG1-CG 4.34Å; V526-L530 WeakPolarHBondContact O-CG 3.44Å; V526-L530 PolarHBondContact O-N 2.79Å; V526-I544 HydrophobicContact CG1-CD1 4.28Å; V526-I544 HydrophobicContact CG1-CG2 3.91Å; V526-I544 HydrophobicContact CG2-CG2 4.16Å; V526-F621 HydrophobicContact CB-CD2 4.39Å; V526-F621 HydrophobicContact CG2-CB 3.64Å; V526-F621 HydrophobicContact CG2-CD2 3.86Å; V526-F621 HydrophobicContact CG2-CG 3.79Å; V526-V623 HydrophobicContact CG2-CG2 4.33Å
527	T	97.1	Very high	97.3	Very high	72 Å²	72	42 Å²	42	44%	0.442	20%	0.204	S	C	.	.	H	α-helix	trans	-63.3	-40.6	179.9	-60.7	0	0	0	0	111.5	S523 E524 N525	S523-T527 PolarHBondContact O-N 2.89Å; S523-T527 PolarHBondContact O-OG1 2.85Å; E524-T527 WeakPolarHBondContact O-CB 3.31Å; E524-T527 PolarHBondContact O-N 2.81Å; N525-T527 VanDerWaalsContact C-N 3.3Å; N525-T527 PolarHBondContact O-N 3.36Å
528	A	97.8	Very high	96.9	Very high	6 Å²	6	48 Å²	48	5%	0.05	24%	0.242	C	C	.	.	H	α-helix	trans	-68.5	-44.9	172.9	0	0	0	0	0	111.7	E524 N525 V526 L530 K531 V532 M643 L646 L647	E524-A528 PolarHBondContact O-N 2.9Å; E524-A528 VanDerWaalsContact O-N 3.11Å; N525-A528 PolarHBondContact O-N 3.08Å; V526-A528 VanDerWaalsContact C-N 3.33Å; V526-A528 PolarHBondContact O-N 3.11Å; A528-L530 VanDerWaalsContact C-N 3.35Å; A528-L530 PolarHBondContact O-N 2.87Å; A528-K531 WeakPolarHBondContact O-CB 3.44Å; A528-K531 PolarHBondContact O-N 3.3Å; A528-V532 PolarHBondContact O-N 2.8Å; A528-V532 VanDerWaalsContact O-N 3.1Å; A528-M643 HydrophobicContact CB-CG 3.83Å; A528-L646 HydrophobicContact CB-CD2 4.16Å; A528-L647 HydrophobicContact CB-CD1 4.22Å; A528-L647 HydrophobicContact CB-CD2 3.79Å; A528-L647 HydrophobicContact CB-CG 3.72Å
529	L	98.1	Very high	96.8	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-57	-45.7	-179.2	-175	59	0	0	0	111.8	F519 N525 V526 K531 V532 L533 I544 V623 V639 I640 M643	F519-L529 HydrophobicContact CZ-CD2 4.11Å; N525-L529 VanDerWaalsContact O-CB 3.27Å; N525-L529 WeakPolarHBondContact O-CB 3.44Å; N525-L529 PolarHBondContact O-N 3.19Å; V526-L529 PolarHBondContact O-N 3.34Å; L529-K531 VanDerWaalsContact C-N 3.26Å; L529-K531 PolarHBondContact O-N 2.87Å; L529-V532 PolarHBondContact O-N 3.49Å; L529-V532 VanDerWaalsContact O-N 3.1Å; L529-L533 HydrophobicContact CD1-CD1 4.32Å; L529-L533 HydrophobicContact CD1-CG 4.16Å; L529-L533 HydrophobicContact CD2-CD1 4.43Å; L529-L533 HydrophobicContact CG-CD1 3.81Å; L529-L533 HydrophobicContact CG-CG 4.15Å; L529-L533 WeakPolarHBondContact O-CB 3.32Å; L529-L533 VanDerWaalsContact O-CG 3.29Å; L529-L533 WeakPolarHBondContact O-CG 3.43Å; L529-L533 PolarHBondContact O-N 3.19Å; L529-I544 HydrophobicContact CD2-CD1 4.48Å; L529-V623 HydrophobicContact CD2-CG1 4.12Å; L529-V639 HydrophobicContact CD1-CG1 3.63Å; L529-I640 HydrophobicContact CD1-CD1 4.43Å; L529-M643 HydrophobicContact CB-CG 4.18Å; L529-M643 HydrophobicContact CB-SD 3.72Å; L529-M643 HydrophobicContact CD1-CB 4.44Å; L529-M643 HydrophobicContact CD1-SD 4.09Å; L529-M643 HydrophobicContact CG-SD 4.33Å
530	L	97.4	Very high	96.8	Very high	31 Å²	31	50.9 Å²	50.9	16%	0.162	25%	0.253	C	S	.	.	H	α-helix	trans	-62.4	-30.3	178	-75.8	166.1	0	0	0	113.5	V526 A528 Y542 I544 M552	V526-L530 HydrophobicContact CG1-CD1 3.83Å; V526-L530 HydrophobicContact CG1-CG 4.34Å; V526-L530 WeakPolarHBondContact O-CG 3.44Å; V526-L530 PolarHBondContact O-N 2.79Å; A528-L530 VanDerWaalsContact C-N 3.35Å; A528-L530 PolarHBondContact O-N 2.87Å; L530-Y542 HydrophobicContact CD2-CE2 3.93Å; L530-I544 HydrophobicContact CD2-CD1 3.8Å; L530-I544 HydrophobicContact CG-CD1 4.07Å; L530-M552 HydrophobicContact CD1-CE 3.53Å; L530-M552 HydrophobicContact CD1-SD 3.56Å; L530-M552 VanDerWaalsContact CD1-SD 3.56Å; L530-M552 HydrophobicContact CD2-CE 3.74Å; L530-M552 HydrophobicContact CD2-SD 4.3Å; L530-M552 HydrophobicContact CG-CE 4.27Å
531	K	97	Very high	96.8	Very high	121 Å²	121	52.7 Å²	52.7	53%	0.526	26%	0.263	S	S	.	.	H	α-helix	trans	-72.4	-40.2	173.9	-67.5	171.6	-178.2	173.7	0	110.9	A528 L529 L646	A528-K531 WeakPolarHBondContact O-CB 3.44Å; A528-K531 PolarHBondContact O-N 3.3Å; L529-K531 VanDerWaalsContact C-N 3.26Å; L529-K531 PolarHBondContact O-N 2.87Å; K531-L646 HydrophobicContact CB-CD2 3.9Å; K531-L646 HydrophobicContact CD-CD2 3.9Å
532	V	97.7	Very high	96.8	Very high	2 Å²	2	54.2 Å²	54.2	1%	0.012	27%	0.269	C	S	.	.	H	α-helix	trans	-68.7	-45.4	178.9	171.5	0	0	0	0	111.4	A528 L529 K534 K535 Y536 V639 D642 M643 L646	A528-V532 PolarHBondContact O-N 2.8Å; A528-V532 VanDerWaalsContact O-N 3.1Å; L529-V532 PolarHBondContact O-N 3.49Å; L529-V532 VanDerWaalsContact O-N 3.1Å; V532-K534 PolarHBondContact O-N 3.19Å; V532-K535 VanDerWaalsContact O-CB 3.32Å; V532-K535 WeakPolarHBondContact O-CB 3.37Å; V532-K535 PolarHBondContact O-N 3.32Å; V532-Y536 HydrophobicContact CG1-CD2 4.04Å; V532-Y536 HydrophobicContact CG1-CE2 3.66Å; V532-Y536 WeakPolarHBondContact O-CD2 3.25Å; V532-V639 HydrophobicContact CG1-CG1 4.25Å; V532-D642 HydrophobicContact CB-CB 4.44Å; V532-D642 HydrophobicContact CG1-CB 3.5Å; V532-D642 VanDerWaalsContact CG1-CB 3.5Å; V532-D642 HydrophobicContact CG2-CB 4.03Å; V532-M643 HydrophobicContact CG2-CB 4.42Å; V532-L646 HydrophobicContact CG2-CD2 4.17Å
533	L	97.6	Very high	96.8	Very high	3 Å²	3	53.7 Å²	53.7	2%	0.016	27%	0.265	C	S	.	.	H	α-helix	trans	-55	-29.6	-177.5	-78	168.6	0	0	0	113.3	L529 K535 Y536 E537 V540 Y542 I544 L625 V639	L529-L533 HydrophobicContact CD1-CD1 4.32Å; L529-L533 HydrophobicContact CD1-CG 4.16Å; L529-L533 HydrophobicContact CD2-CD1 4.43Å; L529-L533 HydrophobicContact CG-CD1 3.81Å; L529-L533 HydrophobicContact CG-CG 4.15Å; L529-L533 WeakPolarHBondContact O-CB 3.32Å; L529-L533 VanDerWaalsContact O-CG 3.29Å; L529-L533 WeakPolarHBondContact O-CG 3.43Å; L529-L533 PolarHBondContact O-N 3.19Å; L533-K535 PolarHBondContact O-N 2.84Å; L533-K535 VanDerWaalsContact O-N 3.17Å; L533-Y536 CarbonylContact O-C 3.56Å; L533-Y536 WeakPolarHBondContact O-CA 3.32Å; L533-Y536 PolarHBondContact O-N 3.15Å; L533-E537 PolarHBondContact O-N 3.2Å; L533-V540 HydrophobicContact CD2-CB 4.45Å; L533-V540 HydrophobicContact CD2-CG1 3.9Å; L533-Y542 HydrophobicContact CB-CD1 4.48Å; L533-Y542 HydrophobicContact CD1-CD1 3.79Å; L533-Y542 HydrophobicContact CD1-CD2 4.15Å; L533-Y542 HydrophobicContact CD1-CE1 4.26Å; L533-Y542 HydrophobicContact CD1-CG 3.73Å; L533-Y542 HydrophobicContact CD2-CD1 4.37Å; L533-Y542 HydrophobicContact CG-CD1 4.46Å; L533-I544 HydrophobicContact CD1-CD1 4.49Å; L533-L625 HydrophobicContact CD2-CD2 4.24Å; L533-V639 HydrophobicContact CD2-CG1 3.96Å
534	K	95.4	Very high	96.9	Very high	153 Å²	153	51.3 Å²	51.3	67%	0.665	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-28.7	173.3	-68.3	176.2	179.5	-179.6	0	113.7	V532 Y536	V532-K534 PolarHBondContact O-N 3.19Å; K534-Y536 VanDerWaalsContact C-N 3.31Å
535	K	96.5	Very high	96.9	Very high	150 Å²	150	46 Å²	46	65%	0.652	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-22.4	175.9	-57.6	177.6	-174.4	172.2	0	112.6	V532 L533	V532-K535 VanDerWaalsContact O-CB 3.32Å; V532-K535 WeakPolarHBondContact O-CB 3.37Å; V532-K535 PolarHBondContact O-N 3.32Å; L533-K535 PolarHBondContact O-N 2.84Å; L533-K535 VanDerWaalsContact O-N 3.17Å
536	Y	96.4	Very high	97	Very high	41 Å²	41	45.9 Å²	45.9	16%	0.161	22%	0.223	C	C	.	.	S	Bend	trans	-104.4	3.5	-173.5	-67.2	-93.3	0	0	0	112.7	V532 L533 K534 R539 V540 C635 V639 D642	V532-Y536 HydrophobicContact CG1-CD2 4.04Å; V532-Y536 HydrophobicContact CG1-CE2 3.66Å; V532-Y536 WeakPolarHBondContact O-CD2 3.25Å; L533-Y536 CarbonylContact O-C 3.56Å; L533-Y536 WeakPolarHBondContact O-CA 3.32Å; L533-Y536 PolarHBondContact O-N 3.15Å; K534-Y536 VanDerWaalsContact C-N 3.31Å; Y536-R539 WeakPolarHBondContact O-CA 3.3Å; Y536-R539 WeakPolarHBondContact O-CB 3.44Å; Y536-R539 PolarHBondContact O-N 2.97Å; Y536-V540 HydrophobicContact CD1-CG2 4.49Å; Y536-V540 PolarHBondContact O-N 3.47Å; Y536-C635 HydrophobicContact CD1-CB 4.37Å; Y536-C635 HydrophobicContact CE1-CB 4.21Å; Y536-V639 HydrophobicContact CD1-CG2 3.63Å; Y536-V639 HydrophobicContact CD2-CG2 3.84Å; Y536-V639 HydrophobicContact CE1-CG2 3.69Å; Y536-V639 HydrophobicContact CE2-CG2 3.92Å; Y536-V639 HydrophobicContact CG-CG2 3.71Å; Y536-D642 VanDerWaalsContact CE2-OD2 3.31Å; Y536-D642 WeakPolarHBondContact CE2-OD2 3.09Å; Y536-D642 PolarHBondContact OH-OD2 2.99Å
537	E	90.7	Very high	96.9	Very high	103 Å²	103	47.2 Å²	47.2	48%	0.481	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74	135.1	168.5	-71.5	-177.2	177.7	0	0	110.4	L533	L533-E537 PolarHBondContact O-N 3.2Å
538	P	91.6	Very high	96.9	Very high	124 Å²	124	50 Å²	50	81%	0.805	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	cis	-95	8.3	5.8	37.8	-36.4	0	0	0	114.8
539	R	97	Very high	96.6	Very high	60 Å²	60	50.8 Å²	50.8	23%	0.226	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-43.1	-171.8	179.3	174	173.3	174.1	-1.6	113.3	Y536 D627 N628 D629 E633 C635	Y536-R539 WeakPolarHBondContact O-CA 3.3Å; Y536-R539 WeakPolarHBondContact O-CB 3.44Å; Y536-R539 PolarHBondContact O-N 2.97Å; R539-D627 WeakPolarHBondContact CG-OD1 3.29Å; R539-D627 IonicContact CZ-OD1 3.99Å; R539-D627 IonicContact CZ-OD2 3.94Å; R539-D627 IonicContact NE-OD1 3.55Å; R539-D627 PolarHBondContact NE-OD1 3.35Å; R539-D627 IonicContact NE-OD2 3.66Å; R539-D627 PolarHBondContact NE-OD2 3.06Å; R539-D627 IonicContact NH2-OD1 3.75Å; R539-D627 IonicContact NH2-OD2 3.64Å; R539-D627 PolarHBondContact NH2-OD2 2.87Å; R539-N628 WeakPolarHBondContact O-CB 3.25Å; R539-N628 PolarHBondContact O-N 3.39Å; R539-N628 PolarHBondContact O-ND2 2.86Å; R539-D629 VanDerWaalsContact CD-OD2 3.24Å; R539-D629 WeakPolarHBondContact CD-OD2 3.29Å; R539-D629 HydrophobicContact CG-CB 4.41Å; R539-D629 WeakPolarHBondContact CG-OD2 3.34Å; R539-D629 IonicContact CZ-OD2 4Å; R539-D629 IonicContact NE-OD2 2.77Å; R539-D629 PolarHBondContact NE-OD2 3.33Å; R539-E633 PolarHBondContact NH2-O 3.13Å; R539-C635 PolarHBondContact NE-SG 3.28Å; R539-C635 VanDerWaalsContact NE-SG 3.42Å
540	V	98.3	Very high	96.5	Very high	2 Å²	2	57.2 Å²	57.2	1%	0.012	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	126.4	-175.8	177.5	0	0	0	0	111.3	L533 Y536 N554 L625 V626 C635 L636 V639	L533-V540 HydrophobicContact CD2-CB 4.45Å; L533-V540 HydrophobicContact CD2-CG1 3.9Å; Y536-V540 HydrophobicContact CD1-CG2 4.49Å; Y536-V540 PolarHBondContact O-N 3.47Å; V540-N554 PolarHBondContact O-ND2 3.03Å; V540-L625 HydrophobicContact CG1-CD2 4.36Å; V540-V626 WeakPolarHBondContact CA-O 3.44Å; V540-C635 VanDerWaalsContact CG2-SG 3.51Å; V540-L636 HydrophobicContact CG1-CD2 4.34Å; V540-L636 HydrophobicContact CG2-CD2 4.37Å; V540-V639 HydrophobicContact CG2-CG2 4.28Å
541	N	98.3	Very high	96.4	Very high	38 Å²	38	58.9 Å²	58.9	20%	0.203	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	138.7	163.4	-73.5	115.4	0	0	0	110.4	N554 N561 L625 V626 N628	N541-N554 VanDerWaalsContact CA-OD1 3.26Å; N541-N554 WeakPolarHBondContact CA-OD1 3.32Å; N541-N554 PolarHBondContact ND2-OD1 2.93Å; N541-N561 PolarHBondContact OD1-ND2 3.02Å; N541-L625 CarbonylContact O-C 3.47Å; N541-L625 WeakPolarHBondContact O-CA 3.15Å; N541-V626 HydrophobicContact CB-CB 4.32Å; N541-V626 PolarHBondContact N-O 3.41Å; N541-V626 PolarHBondContact O-N 3.2Å; N541-N628 PolarHBondContact OD1-ND2 2.87Å; N541-N628 PolarHBondContact OD1-OD1 2.93Å
542	Y	98.2	Very high	96.3	Very high	31 Å²	31	57.3 Å²	57.3	12%	0.122	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	150.7	177.6	72	-93.7	0	0	0	112.1	L530 L533 I544 M552 T553 N554 N624 L625	L530-Y542 HydrophobicContact CD2-CE2 3.93Å; L533-Y542 HydrophobicContact CB-CD1 4.48Å; L533-Y542 HydrophobicContact CD1-CD1 3.79Å; L533-Y542 HydrophobicContact CD1-CD2 4.15Å; L533-Y542 HydrophobicContact CD1-CE1 4.26Å; L533-Y542 HydrophobicContact CD1-CG 3.73Å; L533-Y542 HydrophobicContact CD2-CD1 4.37Å; L533-Y542 HydrophobicContact CG-CD1 4.46Å; Y542-I544 HydrophobicContact CD2-CD1 3.97Å; Y542-I544 HydrophobicContact CD2-CG1 4.09Å; Y542-I544 HydrophobicContact CE2-CD1 4.35Å; Y542-M552 HydrophobicContact CE2-CB 4.35Å; Y542-T553 VanDerWaalsContact O-CA 3.26Å; Y542-T553 WeakPolarHBondContact O-CA 3.38Å; Y542-T553 WeakPolarHBondContact O-CB 3.45Å; Y542-T553 PolarHBondContact O-OG1 3.32Å; Y542-N554 HydrophobicContact CD1-CB 4.08Å; Y542-N554 WeakPolarHBondContact CD1-ND2 3.23Å; Y542-N554 HydrophobicContact CE1-CB 3.64Å; Y542-N554 PolarHBondContact N-OD1 3.38Å; Y542-N554 PolarHBondContact O-N 3.35Å; Y542-N624 WeakPolarHBondContact CA-O 3.33Å; Y542-L625 VanDerWaalsContact CB-CD2 3.48Å
543	H	98.4	Very high	96.2	Very high	5 Å²	5	59 Å²	59	2%	0.023	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	122.8	166.2	-168.1	173.6	0	0	0	109.1	M552 P581 F584 V623 N624	H543-M552 CarbonylContact C-O 3.35Å; H543-M552 WeakPolarHBondContact CA-O 3.39Å; H543-P581 PolarHBondContact CE1-O 3.45Å; H543-F584 HydrophobicContact CB-CD1 4.22Å; H543-F584 HydrophobicContact CB-CE1 4.22Å; H543-F584 AromaticContact CD2-CD1 3.99Å; H543-F584 AromaticContact CE1-CD1 3.65Å; H543-F584 AromaticContact CG-CD1 3.61Å; H543-F584 AromaticContact CG-CE1 3.94Å; H543-F584 AromaticContact ND1-CD1 3.38Å; H543-F584 WeakPolarHBondContact ND1-CD1 3.1Å; H543-V623 WeakPolarHBondContact O-CA 3.35Å; H543-N624 PolarHBondContact N-O 3.11Å; H543-N624 PolarHBondContact O-N 3.39Å
544	I	98.6	Very high	96.1	Very high	1 Å²	1	60.7 Å²	60.7	1%	0.005	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	131.4	-175	-60.8	170.9	0	0	0	107.8	V526 L529 L530 L533 Y542 N551 M552 F621 L622 V623	V526-I544 HydrophobicContact CG1-CD1 4.28Å; V526-I544 HydrophobicContact CG1-CG2 3.91Å; V526-I544 HydrophobicContact CG2-CG2 4.16Å; L529-I544 HydrophobicContact CD2-CD1 4.48Å; L530-I544 HydrophobicContact CD2-CD1 3.8Å; L530-I544 HydrophobicContact CG-CD1 4.07Å; L533-I544 HydrophobicContact CD1-CD1 4.49Å; Y542-I544 HydrophobicContact CD2-CD1 3.97Å; Y542-I544 HydrophobicContact CD2-CG1 4.09Å; Y542-I544 HydrophobicContact CE2-CD1 4.35Å; I544-N551 CarbonylContact O-C 3.59Å; I544-N551 WeakPolarHBondContact O-CA 3.26Å; I544-N551 WeakPolarHBondContact O-CB 3.44Å; I544-M552 PolarHBondContact N-O 3.2Å; I544-M552 PolarHBondContact O-N 2.95Å; I544-F621 HydrophobicContact CG2-CB 3.97Å; I544-F621 HydrophobicContact CG2-CD1 3.6Å; I544-F621 HydrophobicContact CG2-CE1 4.43Å; I544-F621 HydrophobicContact CG2-CG 4.06Å; I544-L622 CarbonylContact C-O 3.56Å; I544-L622 WeakPolarHBondContact CA-O 3.34Å; I544-V623 HydrophobicContact CB-CG2 4.42Å; I544-V623 HydrophobicContact CG1-CB 4.37Å; I544-V623 HydrophobicContact CG1-CG1 3.86Å; I544-V623 HydrophobicContact CG1-CG2 3.97Å; I544-V623 HydrophobicContact CG2-CG2 4.11Å
545	V	98.5	Very high	95.9	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	143	-179.5	66.5	0	0	0	0	112.1	H550 N551 F584 M585 K588 F621 L622	V545-H550 WeakPolarHBondContact CA-O 3.27Å; V545-N551 HydrophobicContact CB-CB 3.97Å; V545-N551 HydrophobicContact CG2-CB 3.89Å; V545-F584 HydrophobicContact CB-CE1 4.44Å; V545-F584 HydrophobicContact CG1-CD1 4.1Å; V545-F584 HydrophobicContact CG1-CE1 3.56Å; V545-F584 HydrophobicContact CG1-CZ 4.26Å; V545-M585 HydrophobicContact CB-SD 4.46Å; V545-M585 HydrophobicContact CG2-CE 3.87Å; V545-M585 HydrophobicContact CG2-SD 3.9Å; V545-K588 HydrophobicContact CG1-CB 3.79Å; V545-K588 HydrophobicContact CG1-CG 4.06Å; V545-K588 HydrophobicContact CG2-CD 4.12Å; V545-K588 HydrophobicContact CG2-CG 4.28Å; V545-F621 CarbonylContact O-C 3.57Å; V545-F621 WeakPolarHBondContact O-CA 3.35Å; V545-L622 HydrophobicContact CG1-CB 4.2Å; V545-L622 PolarHBondContact N-O 3.42Å; V545-L622 PolarHBondContact O-N 3.07Å
546	N	97.9	Very high	95.3	Very high	15 Å²	15	53.6 Å²	53.6	8%	0.08	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	173.9	170.4	70.3	4.6	0	0	0	112.2	H548 G549 H550 F621	N546-H548 PolarHBondContact O-N 2.93Å; N546-H548 PolarHBondContact OD1-N 3.15Å; N546-G549 PolarHBondContact O-N 3.01Å; N546-G549 PolarHBondContact OD1-N 3.07Å; N546-G549 VanDerWaalsContact OD1-N 3.07Å; N546-H550 PolarHBondContact N-O 3.49Å; N546-H550 VanDerWaalsContact N-O 3.15Å; N546-H550 WeakPolarHBondContact OD1-CB 3.33Å; N546-H550 PolarHBondContact OD1-N 2.7Å; N546-F621 HydrophobicContact CB-CD1 3.75Å; N546-F621 HydrophobicContact CB-CE1 3.69Å; N546-F621 HydrophobicContact CB-CG 4.25Å; N546-F621 HydrophobicContact CB-CZ 4.13Å
547	V	97.1	Very high	94.8	Very high	34 Å²	34	58.5 Å²	58.5	21%	0.206	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-38	179.2	67.5	0	0	0	0	112.6	G549 K588 F592	V547-G549 PolarHBondContact O-N 3.14Å; V547-G549 VanDerWaalsContact O-N 3.15Å; V547-K588 PolarHBondContact O-NZ 3.28Å; V547-F592 HydrophobicContact CB-CB 4.48Å; V547-F592 HydrophobicContact CB-CD1 3.82Å; V547-F592 HydrophobicContact CB-CD2 4.27Å; V547-F592 HydrophobicContact CB-CE1 4.05Å; V547-F592 HydrophobicContact CB-CG 3.94Å; V547-F592 HydrophobicContact CB-CZ 4.4Å; V547-F592 HydrophobicContact CG2-CB 4.09Å; V547-F592 HydrophobicContact CG2-CD1 4.27Å; V547-F592 HydrophobicContact CG2-CG 4.1Å
548	H	95.8	Very high	94.6	Very high	131 Å²	131	58 Å²	58	61%	0.606	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-6.6	179	-52.9	97.2	0	0	0	114.3	N546	N546-H548 PolarHBondContact O-N 2.93Å; N546-H548 PolarHBondContact OD1-N 3.15Å
549	G	92.9	Very high	94.4	Very high	21 Å²	21	57.3 Å²	57.3	22%	0.216	29%	0.285	C	S	.	.			trans	86.6	5.5	177.5	0	0	0	0	0	115.1	N546 V547 N551	N546-G549 PolarHBondContact O-N 3.01Å; N546-G549 PolarHBondContact OD1-N 3.07Å; N546-G549 VanDerWaalsContact OD1-N 3.07Å; V547-G549 PolarHBondContact O-N 3.14Å; V547-G549 VanDerWaalsContact O-N 3.15Å; G549-N551 PolarHBondContact O-N 3.27Å; G549-N551 PolarHBondContact O-ND2 2.65Å
550	H	94.9	Very high	94.2	Very high	136 Å²	136	56.6 Å²	56.6	63%	0.63	29%	0.288	S	S	*	.			trans	-66.5	116.6	169.6	-64.7	169.5	0	0	0	108.6	V545 N546	V545-H550 WeakPolarHBondContact CA-O 3.27Å; N546-H550 PolarHBondContact N-O 3.49Å; N546-H550 VanDerWaalsContact N-O 3.15Å; N546-H550 WeakPolarHBondContact OD1-CB 3.33Å; N546-H550 PolarHBondContact OD1-N 2.7Å
551	N	94.8	Very high	94.1	Very high	65 Å²	65	58 Å²	58	35%	0.348	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	155.3	-176.4	73.2	75.3	0	0	0	113.4	I544 V545 G549 M585	I544-N551 CarbonylContact O-C 3.59Å; I544-N551 WeakPolarHBondContact O-CA 3.26Å; I544-N551 WeakPolarHBondContact O-CB 3.44Å; V545-N551 HydrophobicContact CB-CB 3.97Å; V545-N551 HydrophobicContact CG2-CB 3.89Å; G549-N551 PolarHBondContact O-N 3.27Å; G549-N551 PolarHBondContact O-ND2 2.65Å; N551-M585 HydrophobicContact CB-SD 4.12Å
552	M	95.9	Very high	94	Very high	88 Å²	88	57.2 Å²	57.2	43%	0.433	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	127	176	-58.6	176.7	70.1	0	0	108.6	L530 Y542 H543 I544	L530-M552 HydrophobicContact CD1-CE 3.53Å; L530-M552 HydrophobicContact CD1-SD 3.56Å; L530-M552 VanDerWaalsContact CD1-SD 3.56Å; L530-M552 HydrophobicContact CD2-CE 3.74Å; L530-M552 HydrophobicContact CD2-SD 4.3Å; L530-M552 HydrophobicContact CG-CE 4.27Å; Y542-M552 HydrophobicContact CE2-CB 4.35Å; H543-M552 CarbonylContact C-O 3.35Å; H543-M552 WeakPolarHBondContact CA-O 3.39Å; I544-M552 PolarHBondContact N-O 3.2Å; I544-M552 PolarHBondContact O-N 2.95Å
553	T	95.9	Very high	94	Very high	37 Å²	37	55.7 Å²	55.7	23%	0.227	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	150.8	178.6	-176.1	0	0	0	0	111.6	Y542 A555 M558	Y542-T553 VanDerWaalsContact O-CA 3.26Å; Y542-T553 WeakPolarHBondContact O-CA 3.38Å; Y542-T553 WeakPolarHBondContact O-CB 3.45Å; Y542-T553 PolarHBondContact O-OG1 3.32Å; T553-A555 HydrophobicContact CG2-CB 4.44Å; T553-A555 WeakPolarHBondContact OG1-CB 3.41Å; T553-A555 PolarHBondContact OG1-N 3.48Å; T553-A555 VanDerWaalsContact OG1-N 3.08Å; T553-M558 HydrophobicContact CG2-CE 3.97Å; T553-M558 HydrophobicContact CG2-SD 3.82Å
554	N	95.6	Very high	94	Very high	39 Å²	39	55.5 Å²	55.5	21%	0.209	29%	0.288	C	S	.	.			trans	-103.7	15.3	168.9	72.4	-8.4	0	0	0	112.8	V540 N541 Y542 H556	V540-N554 PolarHBondContact O-ND2 3.03Å; N541-N554 VanDerWaalsContact CA-OD1 3.26Å; N541-N554 WeakPolarHBondContact CA-OD1 3.32Å; N541-N554 PolarHBondContact ND2-OD1 2.93Å; Y542-N554 HydrophobicContact CD1-CB 4.08Å; Y542-N554 WeakPolarHBondContact CD1-ND2 3.23Å; Y542-N554 HydrophobicContact CE1-CB 3.64Å; Y542-N554 PolarHBondContact N-OD1 3.38Å; Y542-N554 PolarHBondContact O-N 3.35Å; N554-H556 PolarHBondContact O-N 3.3Å
555	A	90.3	Very high	94	Very high	23 Å²	23	57.4 Å²	57.4	19%	0.19	30%	0.295	C	S	.	.			trans	-61.8	120.6	176.7	0	0	0	0	0	110.8	T553 E557 M558 P581	T553-A555 HydrophobicContact CG2-CB 4.44Å; T553-A555 WeakPolarHBondContact OG1-CB 3.41Å; T553-A555 PolarHBondContact OG1-N 3.48Å; T553-A555 VanDerWaalsContact OG1-N 3.08Å; A555-E557 PolarHBondContact O-N 3.44Å; A555-M558 PolarHBondContact O-N 2.76Å; A555-P581 HydrophobicContact CB-CB 4.43Å; A555-P581 HydrophobicContact CB-CG 3.42Å; A555-P581 VanDerWaalsContact CB-CG 3.42Å
556	H	85.3	Confident	93.9	Very high	131 Å²	131	57.4 Å²	57.4	61%	0.606	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-63.2	119.7	-177.9	-175.7	-82.5	0	0	0	110.6	N554 M558 Q559	N554-H556 PolarHBondContact O-N 3.3Å; H556-M558 PolarHBondContact O-N 2.92Å; H556-Q559 WeakPolarHBondContact O-CB 3.34Å; H556-Q559 PolarHBondContact O-N 3.09Å
557	E	85.3	Confident	93.9	Very high	145 Å²	145	60.4 Å²	60.4	68%	0.678	31%	0.31	S	S	*	.	G	3₁₀ helix	trans	52.5	26.4	180	-65.7	174.8	-177.2	0	0	114.4	A555 Q559	A555-E557 PolarHBondContact O-N 3.44Å; E557-Q559 HydrophobicContact CB-CG 4.1Å; E557-Q559 PolarHBondContact O-N 3.29Å; E557-Q559 VanDerWaalsContact O-N 3.16Å; E557-Q559 PolarHBondContact OE2-NE2 2.83Å
558	M	85.7	Confident	93.8	Very high	93 Å²	93	59.1 Å²	59.1	46%	0.458	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	55.3	25.5	-173	-61.9	-64.8	-153.3	0	0	114	T553 A555 H556 P581	T553-M558 HydrophobicContact CG2-CE 3.97Å; T553-M558 HydrophobicContact CG2-SD 3.82Å; A555-M558 PolarHBondContact O-N 2.76Å; H556-M558 PolarHBondContact O-N 2.92Å; M558-P581 HydrophobicContact SD-CB 3.76Å; M558-P581 HydrophobicContact SD-CG 4.35Å
559	Q	88.8	Confident	93.7	Very high	109 Å²	109	57.1 Å²	57.1	51%	0.509	30%	0.3	S	S	.	.			trans	-77.9	148.1	179.5	-66.3	-173.5	9.6	0	0	112	H556 E557	H556-Q559 WeakPolarHBondContact O-CB 3.34Å; H556-Q559 PolarHBondContact O-N 3.09Å; E557-Q559 HydrophobicContact CB-CG 4.1Å; E557-Q559 PolarHBondContact O-N 3.29Å; E557-Q559 VanDerWaalsContact O-N 3.16Å; E557-Q559 PolarHBondContact OE2-NE2 2.83Å
560	P	92.2	Very high	93.5	Very high	44 Å²	44	60.4 Å²	60.4	29%	0.286	33%	0.334	S	S	.	.			trans	-66.3	143.6	174.4	-16.4	28.1	0	0	0	112.9	W393 V578 V579 D580	W393-P560 HydrophobicContact CB-CB 4.36Å; W393-P560 HydrophobicContact CB-CG 4.27Å; W393-P560 HydrophobicContact CG-CG 4.25Å; P560-V578 HydrophobicContact CB-CB 4.3Å; P560-V578 HydrophobicContact CB-CG2 4.45Å; P560-V579 CarbonylContact C-O 3.48Å; P560-V579 WeakPolarHBondContact CA-O 3.4Å; P560-D580 HydrophobicContact CB-CB 4.18Å; P560-D580 HydrophobicContact CG-CB 4.33Å
561	N	95.1	Very high	93.2	Very high	31 Å²	31	58.8 Å²	58.8	17%	0.166	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	121.8	173.5	-171.5	1.8	0	0	0	110.5	K514 N541 V563 V578 V579 N628	K514-N561 PolarHBondContact NZ-OD1 3.46Å; N541-N561 PolarHBondContact OD1-ND2 3.02Å; N561-V563 PolarHBondContact O-N 2.98Å; N561-V578 CarbonylContact O-C 3.55Å; N561-V578 VanDerWaalsContact O-CA 3.26Å; N561-V578 WeakPolarHBondContact O-CA 3.19Å; N561-V579 PolarHBondContact N-O 3.03Å; N561-V579 PolarHBondContact O-N 3.26Å; N561-N628 PolarHBondContact ND2-OD1 2.87Å
562	A	96.9	Very high	92.9	Very high	22 Å²	22	60.4 Å²	60.4	18%	0.182	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	127.1	174.1	0	0	0	0	0	110.9	K514	K514-A562 WeakPolarHBondContact CD-O 3.44Å
563	V	98.2	Very high	92.8	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	-16.5	-175.5	-64.7	0	0	0	0	113.8	I369 Q489 Q513 K514 N561 T577 V579 V626	I369-V563 HydrophobicContact CD1-CG2 4.14Å; Q489-V563 PolarHBondContact NE2-O 3.04Å; Q489-V563 VanDerWaalsContact NE2-O 3.13Å; Q513-V563 CarbonylContact C-O 3.57Å; Q513-V563 VanDerWaalsContact CA-O 3.25Å; Q513-V563 WeakPolarHBondContact CA-O 3.4Å; K514-V563 HydrophobicContact CB-CB 4.3Å; K514-V563 HydrophobicContact CB-CG1 4.35Å; K514-V563 HydrophobicContact CD-CG1 4.39Å; K514-V563 PolarHBondContact N-O 2.89Å; N561-V563 PolarHBondContact O-N 2.98Å; V563-T577 HydrophobicContact CG2-CG2 3.81Å; V563-T577 WeakPolarHBondContact CG2-O 3.36Å; V563-T577 PolarHBondContact N-O 3.36Å; V563-V579 HydrophobicContact CG1-CB 4.39Å; V563-V579 HydrophobicContact CG1-CG2 3.7Å; V563-V579 HydrophobicContact CG2-CG2 4.16Å; V563-V626 HydrophobicContact CG1-CG1 3.9Å; V563-V626 HydrophobicContact CG1-CG2 4.08Å
564	T	98.4	Very high	92.7	Very high	1 Å²	1	59.3 Å²	59.3	1%	0.006	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	130.6	172.3	-55.5	0	0	0	0	109.3	P352 Q489 W504 F512 Q513 Q575 P576 T577	P352-T564 HydrophobicContact CG-CG2 4.07Å; Q489-T564 PolarHBondContact NE2-OG1 3.49Å; Q489-T564 PolarHBondContact OE1-OG1 3.11Å; Q489-T564 VanDerWaalsContact OE1-OG1 3.12Å; W504-T564 HydrophobicContact CZ2-CG2 4.21Å; F512-T564 WeakPolarHBondContact O-CA 3.45Å; Q513-T564 HydrophobicContact CG-CG2 3.91Å; T564-Q575 CarbonylContact O-C 3.46Å; T564-Q575 WeakPolarHBondContact O-CA 3.45Å; T564-P576 VanDerWaalsContact O-CD 3.27Å; T564-P576 WeakPolarHBondContact O-CD 3.26Å; T564-T577 PolarHBondContact N-O 3.44Å
565	W	98.3	Very high	92.6	Very high	40 Å²	40	59.4 Å²	59.4	15%	0.152	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	163.4	177	67.6	94.5	0	0	0	112.4	F512 K514 I573 V574 Q575 F630	F512-W565 HydrophobicContact CB-CD2 3.73Å; F512-W565 HydrophobicContact CB-CE3 4.28Å; F512-W565 HydrophobicContact CB-CG 4.19Å; F512-W565 HydrophobicContact CB-CH2 4Å; F512-W565 HydrophobicContact CB-CZ2 3.42Å; F512-W565 VanDerWaalsContact CB-CZ2 3.42Å; F512-W565 HydrophobicContact CB-CZ3 4.4Å; F512-W565 HydrophobicContact CD1-CZ2 4.21Å; F512-W565 AromaticContact CD2-CD1 3.76Å; F512-W565 AromaticContact CD2-NE1 3.41Å; F512-W565 AromaticContact CG-CE2 3.71Å; F512-W565 AromaticContact CG-CZ2 3.92Å; F512-W565 HydrophobicContact CG-CZ2 3.92Å; F512-W565 AromaticContact CG-NE1 3.43Å; F512-W565 PolarHBondContact N-O 2.68Å; F512-W565 PolarHBondContact O-N 2.75Å; K514-W565 HydrophobicContact CG-CH2 4.31Å; K514-W565 HydrophobicContact CG-CZ3 4.09Å; W565-I573 HydrophobicContact CB-CG2 4.4Å; W565-V574 CarbonylContact C-O 3.51Å; W565-V574 WeakPolarHBondContact CA-O 3.36Å; W565-V574 WeakPolarHBondContact CB-O 3.33Å; W565-Q575 HydrophobicContact CB-CB 3.91Å; W565-F630 AromaticContact CH2-CD1 3.66Å; W565-F630 HydrophobicContact CH2-CD1 3.66Å; W565-F630 HydrophobicContact CH2-CD2 4.34Å; W565-F630 AromaticContact CH2-CE1 3.84Å; W565-F630 HydrophobicContact CH2-CE1 3.84Å; W565-F630 HydrophobicContact CH2-CE2 4.49Å; W565-F630 AromaticContact CH2-CG 3.93Å; W565-F630 HydrophobicContact CH2-CG 3.93Å; W565-F630 HydrophobicContact CH2-CZ 4.26Å; W565-F630 HydrophobicContact CZ2-CD1 4.11Å; W565-F630 HydrophobicContact CZ2-CD2 4.34Å; W565-F630 AromaticContact CZ2-CE1 3.86Å; W565-F630 HydrophobicContact CZ2-CE1 3.86Å; W565-F630 HydrophobicContact CZ2-CE2 4.1Å; W565-F630 HydrophobicContact CZ2-CG 4.35Å; W565-F630 AromaticContact CZ2-CZ 3.86Å; W565-F630 HydrophobicContact CZ2-CZ 3.86Å
566	G	97.4	Very high	92.9	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	143.6	-179.2	0	0	0	0	0	111.8	Y510 V574	Y510-G566 CarbonylContact O-C 3.51Å; Y510-G566 VanDerWaalsContact O-CA 3.31Å; Y510-G566 WeakPolarHBondContact O-CA 3.15Å; G566-V574 PolarHBondContact N-O 3.48Å; G566-V574 PolarHBondContact O-N 2.86Å; G566-V574 VanDerWaalsContact O-N 3.12Å
567	I	97.5	Very high	93.5	Very high	78 Å²	78	52.6 Å²	52.6	40%	0.4	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	121.2	174.9	-53.4	178.6	0	0	0	107.3	G509 Y510 F512 I573	G509-I567 CarbonylContact C-O 3.6Å; G509-I567 WeakPolarHBondContact CA-O 3.23Å; Y510-I567 PolarHBondContact N-O 3.22Å; Y510-I567 PolarHBondContact O-N 3.01Å; F512-I567 HydrophobicContact CE2-CD1 3.95Å; F512-I567 HydrophobicContact CE2-CG1 4.12Å; F512-I567 HydrophobicContact CZ-CD1 4.47Å; I567-I573 HydrophobicContact CG1-CG1 4.37Å
568	F	95.3	Very high	94	Very high	8 Å²	8	45.8 Å²	45.8	4%	0.035	26%	0.255	C	S	.	.			trans	-124	143.2	-172.7	-55.8	-81.2	0	0	0	111.3	W504 P506 V511 G570 R571 V574	W504-F568 HydrophobicContact CD2-CZ 4.47Å; W504-F568 HydrophobicContact CE3-CE2 4.45Å; W504-F568 AromaticContact CE3-CZ 3.89Å; W504-F568 HydrophobicContact CE3-CZ 3.89Å; W504-F568 AromaticContact CH2-CE2 3.97Å; W504-F568 HydrophobicContact CH2-CE2 3.97Å; W504-F568 AromaticContact CH2-CZ 3.98Å; W504-F568 HydrophobicContact CH2-CZ 3.98Å; W504-F568 AromaticContact CZ3-CE2 3.74Å; W504-F568 HydrophobicContact CZ3-CE2 3.74Å; W504-F568 AromaticContact CZ3-CZ 3.62Å; W504-F568 HydrophobicContact CZ3-CZ 3.62Å; W504-F568 WeakPolarHBondContact O-CE1 3.5Å; P506-F568 HydrophobicContact CB-CB 4.49Å; P506-F568 HydrophobicContact CB-CD1 4.1Å; P506-F568 HydrophobicContact CB-CG 4.45Å; P506-F568 HydrophobicContact CG-CB 4.49Å; P506-F568 HydrophobicContact CG-CD1 4.22Å; P506-F568 HydrophobicContact CG-CG 4.27Å; P506-F568 WeakPolarHBondContact O-CD1 3.5Å; V511-F568 HydrophobicContact CG1-CZ 4.47Å; F568-G570 PolarHBondContact O-N 3.07Å; F568-R571 HydrophobicContact CB-CB 4.34Å; F568-R571 PolarHBondContact O-N 3.49Å; F568-V574 HydrophobicContact CD2-CG2 4.36Å; F568-V574 HydrophobicContact CE2-CB 4.3Å; F568-V574 HydrophobicContact CE2-CG2 4.27Å
569	P	93.4	Very high	94.6	Very high	88 Å²	88	42 Å²	42	57%	0.571	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.7	129.3	178.4	-24.8	33.8	0	0	0	112.2	G508 R571	G508-P569 WeakPolarHBondContact O-CD 3.39Å; G508-P569 WeakPolarHBondContact O-CG 3.44Å; P569-R571 VanDerWaalsContact C-N 3.26Å; P569-R571 PolarHBondContact O-N 3.4Å
570	G	89.3	Confident	94.9	Very high	91 Å²	91	36.8 Å²	36.8	94%	0.938	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	69	17.1	176.4	0	0	0	0	0	115.3	F568	F568-G570 PolarHBondContact O-N 3.07Å
571	R	87	Confident	94.9	Very high	101 Å²	101	35.1 Å²	35.1	38%	0.381	20%	0.201	S	C	.	.	S	Bend	trans	-134.3	160.1	177.7	-61	-171.3	-178.2	-164.9	0.5	111.5	P506 F568 P569	P506-R571 VanDerWaalsContact CG-NH1 3.3Å; F568-R571 HydrophobicContact CB-CB 4.34Å; F568-R571 PolarHBondContact O-N 3.49Å; P569-R571 VanDerWaalsContact C-N 3.26Å; P569-R571 PolarHBondContact O-N 3.4Å
572	E	90.1	Very high	94.8	Very high	99 Å²	99	36 Å²	36	46%	0.463	21%	0.208	S	C	.	.			trans	-70	167.5	169.3	-64.8	-173.4	-168.7	0	0	111.5
573	I	92.5	Very high	94.6	Very high	98 Å²	98	35 Å²	35	50%	0.503	20%	0.199	S	C	.	.			trans	-67.8	135.7	177.8	-59.4	177.8	0	0	0	109.3	W565 I567	W565-I573 HydrophobicContact CB-CG2 4.4Å; I567-I573 HydrophobicContact CG1-CG1 4.37Å
574	V	93.8	Very high	94.5	Very high	4 Å²	4	35 Å²	35	2%	0.024	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	128.4	172.7	-173.3	0	0	0	0	108.2	L351 W504 W565 G566 F568 P576	L351-V574 HydrophobicContact CD2-CG1 4.07Å; W504-V574 HydrophobicContact CH2-CB 4.1Å; W504-V574 HydrophobicContact CH2-CG1 4.17Å; W504-V574 HydrophobicContact CZ3-CB 4.19Å; W504-V574 HydrophobicContact CZ3-CG1 4.06Å; W565-V574 CarbonylContact C-O 3.51Å; W565-V574 WeakPolarHBondContact CA-O 3.36Å; W565-V574 WeakPolarHBondContact CB-O 3.33Å; G566-V574 PolarHBondContact N-O 3.48Å; G566-V574 PolarHBondContact O-N 2.86Å; G566-V574 VanDerWaalsContact O-N 3.12Å; F568-V574 HydrophobicContact CD2-CG2 4.36Å; F568-V574 HydrophobicContact CE2-CB 4.3Å; F568-V574 HydrophobicContact CE2-CG2 4.27Å; V574-P576 WeakPolarHBondContact O-CD 3.43Å
575	Q	94.8	Very high	94.3	Very high	42 Å²	42	37.3 Å²	37.3	20%	0.196	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	75.9	-178.7	50.2	164.5	18.8	0	0	111.2	V366 G391 T564 W565 T577	V366-Q575 VanDerWaalsContact CG2-O 3.24Å; V366-Q575 WeakPolarHBondContact CG2-O 3.45Å; G391-Q575 WeakPolarHBondContact O-CG 3.38Å; G391-Q575 PolarHBondContact O-NE2 3.29Å; T564-Q575 CarbonylContact O-C 3.46Å; T564-Q575 WeakPolarHBondContact O-CA 3.45Å; W565-Q575 HydrophobicContact CB-CB 3.91Å; Q575-T577 PolarHBondContact O-N 2.8Å
576	P	95.6	Very high	93.9	Very high	0 Å²	0	39 Å²	39	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	-3.1	-162.4	32.1	-38.5	0	0	0	115.6	L351 P352 W353 D365 R367 W504 T564 V574	L351-P576 HydrophobicContact CD2-CB 3.98Å; L351-P576 HydrophobicContact CD2-CG 4.41Å; P352-P576 VanDerWaalsContact CD-CG 3.43Å; P352-P576 HydrophobicContact CG-CB 4.48Å; P352-P576 HydrophobicContact CG-CG 3.69Å; W353-P576 PolarHBondContact NE1-O 2.99Å; W353-P576 VanDerWaalsContact NE1-O 3.09Å; D365-P576 WeakPolarHBondContact O-CA 3.38Å; D365-P576 VanDerWaalsContact O-CB 3.22Å; D365-P576 WeakPolarHBondContact O-CB 3.32Å; R367-P576 PolarHBondContact N-O 3.5Å; W504-P576 VanDerWaalsContact CH2-CD 3.49Å; W504-P576 HydrophobicContact CH2-CG 3.59Å; W504-P576 HydrophobicContact CZ2-CG 3.74Å; W504-P576 HydrophobicContact CZ3-CG 4.07Å; T564-P576 VanDerWaalsContact O-CD 3.27Å; T564-P576 WeakPolarHBondContact O-CD 3.26Å; V574-P576 WeakPolarHBondContact O-CD 3.43Å
577	T	97.7	Very high	93.8	Very high	10 Å²	10	39.3 Å²	39.3	6%	0.061	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	127.2	-175.2	-46.5	0	0	0	0	111.3	R367 I369 V563 T564 Q575	R367-T577 WeakPolarHBondContact O-CA 3.31Å; I369-T577 HydrophobicContact CB-CG2 3.56Å; I369-T577 HydrophobicContact CD1-CG2 3.94Å; I369-T577 HydrophobicContact CG1-CG2 3.72Å; V563-T577 HydrophobicContact CG2-CG2 3.81Å; V563-T577 WeakPolarHBondContact CG2-O 3.36Å; V563-T577 PolarHBondContact N-O 3.36Å; T564-T577 PolarHBondContact N-O 3.44Å; Q575-T577 PolarHBondContact O-N 2.8Å
578	V	97	Very high	93.7	Very high	3 Å²	3	36.4 Å²	36.4	2%	0.018	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	159.8	178.9	-59.4	0	0	0	0	111.6	V366 R367 P368 I369 W393 P560 N561	V366-V578 HydrophobicContact CG2-CG1 3.77Å; V366-V578 HydrophobicContact CG2-CG2 4.39Å; R367-V578 PolarHBondContact O-N 3.38Å; P368-V578 CarbonylContact C-O 3.5Å; P368-V578 WeakPolarHBondContact CA-O 3.39Å; I369-V578 PolarHBondContact N-O 3.48Å; W393-V578 HydrophobicContact CB-CG1 4.12Å; W393-V578 HydrophobicContact CB-CG2 3.9Å; W393-V578 HydrophobicContact CD2-CG2 4.12Å; W393-V578 HydrophobicContact CE3-CG2 4.48Å; W393-V578 HydrophobicContact CG-CG2 3.87Å; P560-V578 HydrophobicContact CB-CB 4.3Å; P560-V578 HydrophobicContact CB-CG2 4.45Å; N561-V578 CarbonylContact O-C 3.55Å; N561-V578 VanDerWaalsContact O-CA 3.26Å; N561-V578 WeakPolarHBondContact O-CA 3.19Å
579	V	97.1	Very high	93.6	Very high	13 Å²	13	39.3 Å²	39.3	8%	0.079	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	110.9	163.2	174.7	0	0	0	0	107.1	I369 F370 Y516 P560 N561 V563 V626	I369-V579 HydrophobicContact CG2-CG2 3.8Å; F370-V579 HydrophobicContact CE1-CG1 4.26Å; F370-V579 HydrophobicContact CZ-CG1 4.01Å; Y516-V579 HydrophobicContact CD2-CG2 3.9Å; Y516-V579 HydrophobicContact CE2-CG2 3.67Å; P560-V579 CarbonylContact C-O 3.48Å; P560-V579 WeakPolarHBondContact CA-O 3.4Å; N561-V579 PolarHBondContact N-O 3.03Å; N561-V579 PolarHBondContact O-N 3.26Å; V563-V579 HydrophobicContact CG1-CB 4.39Å; V563-V579 HydrophobicContact CG1-CG2 3.7Å; V563-V579 HydrophobicContact CG2-CG2 4.16Å; V579-V626 HydrophobicContact CB-CG2 4.25Å; V579-V626 HydrophobicContact CG1-CG2 4.33Å; V579-V626 HydrophobicContact CG2-CG2 3.79Å
580	D	94.9	Very high	93.5	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.192	C	C	.	.			trans	-113.4	118.2	-176.7	173.5	38	0	0	0	110.7	F370 W393 S396 P560 V582 S583 F584	F370-D580 WeakPolarHBondContact CE2-O 3.44Å; W393-D580 PolarHBondContact NE1-OD2 3.34Å; S396-D580 PolarHBondContact OG-OD2 2.83Å; P560-D580 HydrophobicContact CB-CB 4.18Å; P560-D580 HydrophobicContact CG-CB 4.33Å; D580-V582 VanDerWaalsContact C-N 3.27Å; D580-V582 PolarHBondContact O-N 3.35Å; D580-V582 PolarHBondContact OD1-N 3.08Å; D580-S583 PolarHBondContact O-N 2.85Å; D580-S583 VanDerWaalsContact OD2-CB 3.26Å; D580-S583 WeakPolarHBondContact OD2-CB 3.39Å; D580-S583 PolarHBondContact OD2-N 3.12Å; D580-S583 PolarHBondContact OD2-OG 3.15Å; D580-F584 PolarHBondContact O-N 3.25Å
581	P	93.6	Very high	93.8	Very high	8 Å²	8	30.8 Å²	30.8	5%	0.052	15%	0.147	C	C	.	.	H	α-helix	trans	-58.1	-35.3	-179.4	-25.4	34.4	0	0	0	113.9	H543 A555 M558 F584 M585	H543-P581 PolarHBondContact CE1-O 3.45Å; A555-P581 HydrophobicContact CB-CB 4.43Å; A555-P581 HydrophobicContact CB-CG 3.42Å; A555-P581 VanDerWaalsContact CB-CG 3.42Å; M558-P581 HydrophobicContact SD-CB 3.76Å; M558-P581 HydrophobicContact SD-CG 4.35Å; P581-F584 WeakPolarHBondContact O-CB 3.41Å; P581-M585 PolarHBondContact O-N 3.41Å
582	V	91.7	Very high	94.3	Very high	50 Å²	50	26 Å²	26	30%	0.303	13%	0.129	S	C	.	.	H	α-helix	trans	-71	-49.8	-179.5	178.1	0	0	0	0	110.4	S396 D580 F584 M585 Y586	S396-V582 WeakPolarHBondContact OG-CB 3.36Å; D580-V582 VanDerWaalsContact C-N 3.27Å; D580-V582 PolarHBondContact O-N 3.35Å; D580-V582 PolarHBondContact OD1-N 3.08Å; V582-F584 PolarHBondContact O-N 2.8Å; V582-M585 WeakPolarHBondContact O-CB 3.35Å; V582-M585 PolarHBondContact O-N 3.06Å; V582-M585 VanDerWaalsContact O-N 3.09Å; V582-Y586 HydrophobicContact CG1-CE2 4.14Å; V582-Y586 WeakPolarHBondContact O-CD2 3.47Å
583	S	92.6	Very high	94.5	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-58	-34.1	175.5	-62	0	0	0	0	112.4	F401 D580 M585 Y586 W587	F401-S583 WeakPolarHBondContact CE2-OG 3.48Å; D580-S583 PolarHBondContact O-N 2.85Å; D580-S583 VanDerWaalsContact OD2-CB 3.26Å; D580-S583 WeakPolarHBondContact OD2-CB 3.39Å; D580-S583 PolarHBondContact OD2-N 3.12Å; D580-S583 PolarHBondContact OD2-OG 3.15Å; S583-M585 VanDerWaalsContact C-N 3.28Å; S583-M585 PolarHBondContact O-N 3.05Å; S583-Y586 PolarHBondContact O-N 3.11Å; S583-Y586 VanDerWaalsContact O-N 3.13Å; S583-W587 PolarHBondContact O-N 3.45Å
584	F	95.7	Very high	94.5	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-61.2	-35.7	177	-168	-120.1	0	0	0	112.7	F370 H543 V545 D580 P581 V582 Y586 W587 K588 L622 N624	F370-F584 AromaticContact CD1-CD2 3.65Å; F370-F584 HydrophobicContact CD1-CD2 3.65Å; F370-F584 HydrophobicContact CD1-CE2 4.15Å; F370-F584 HydrophobicContact CD2-CD2 4.41Å; F370-F584 HydrophobicContact CE1-CB 4.32Å; F370-F584 AromaticContact CE1-CD2 3.38Å; F370-F584 HydrophobicContact CE1-CD2 3.38Å; F370-F584 HydrophobicContact CE1-CE2 4.02Å; F370-F584 HydrophobicContact CE1-CG 4.2Å; F370-F584 HydrophobicContact CE2-CB 3.8Å; F370-F584 HydrophobicContact CE2-CD2 4.18Å; F370-F584 HydrophobicContact CE2-CG 4.49Å; F370-F584 HydrophobicContact CG-CD2 4.18Å; F370-F584 HydrophobicContact CZ-CB 3.69Å; F370-F584 AromaticContact CZ-CD2 3.67Å; F370-F584 HydrophobicContact CZ-CD2 3.67Å; F370-F584 HydrophobicContact CZ-CG 4.06Å; H543-F584 HydrophobicContact CB-CD1 4.22Å; H543-F584 HydrophobicContact CB-CE1 4.22Å; H543-F584 AromaticContact CD2-CD1 3.99Å; H543-F584 AromaticContact CE1-CD1 3.65Å; H543-F584 AromaticContact CG-CD1 3.61Å; H543-F584 AromaticContact CG-CE1 3.94Å; H543-F584 AromaticContact ND1-CD1 3.38Å; H543-F584 WeakPolarHBondContact ND1-CD1 3.1Å; V545-F584 HydrophobicContact CB-CE1 4.44Å; V545-F584 HydrophobicContact CG1-CD1 4.1Å; V545-F584 HydrophobicContact CG1-CE1 3.56Å; V545-F584 HydrophobicContact CG1-CZ 4.26Å; D580-F584 PolarHBondContact O-N 3.25Å; P581-F584 WeakPolarHBondContact O-CB 3.41Å; V582-F584 PolarHBondContact O-N 2.8Å; F584-Y586 VanDerWaalsContact C-N 3.26Å; F584-Y586 PolarHBondContact O-N 3.26Å; F584-W587 AromaticContact CD2-CD1 3.81Å; F584-W587 AromaticContact CE2-CD1 3.87Å; F584-W587 PolarHBondContact O-N 3.49Å; F584-K588 PolarHBondContact O-N 3.35Å; F584-L622 HydrophobicContact CE2-CD2 3.82Å; F584-L622 HydrophobicContact CE2-CG 4.15Å; F584-L622 HydrophobicContact CZ-CD2 3.77Å; F584-L622 HydrophobicContact CZ-CG 3.73Å; F584-N624 WeakPolarHBondContact CD2-ND2 3.36Å; F584-N624 VanDerWaalsContact CE1-ND2 3.34Å; F584-N624 WeakPolarHBondContact CE1-ND2 3.41Å; F584-N624 HydrophobicContact CE2-CB 4.19Å; F584-N624 WeakPolarHBondContact CE2-ND2 3.46Å; F584-N624 HydrophobicContact CZ-CB 4.21Å; F584-N624 WeakPolarHBondContact CZ-ND2 3.5Å
585	M	94.1	Very high	94.7	Very high	50 Å²	50	17.8 Å²	17.8	25%	0.246	9%	0.093	C	C	.	.	H	α-helix	trans	-67.7	-25.7	176.9	-65.7	-56.4	-60.2	0	0	113.2	V545 N551 P581 V582 S583 K588	V545-M585 HydrophobicContact CB-SD 4.46Å; V545-M585 HydrophobicContact CG2-CE 3.87Å; V545-M585 HydrophobicContact CG2-SD 3.9Å; N551-M585 HydrophobicContact CB-SD 4.12Å; P581-M585 PolarHBondContact O-N 3.41Å; V582-M585 WeakPolarHBondContact O-CB 3.35Å; V582-M585 PolarHBondContact O-N 3.06Å; V582-M585 VanDerWaalsContact O-N 3.09Å; S583-M585 VanDerWaalsContact C-N 3.28Å; S583-M585 PolarHBondContact O-N 3.05Å; M585-K588 VanDerWaalsContact O-CG 3.27Å; M585-K588 WeakPolarHBondContact O-CG 3.41Å
586	Y	91.6	Very high	94.7	Very high	77 Å²	77	17.3 Å²	17.3	30%	0.302	9%	0.091	S	C	.	.	H	α-helix	trans	-85.2	-32.1	172.4	-71.1	-79.7	0	0	0	112.5	R381 F401 V582 S583 F584	R381-Y586 PolarHBondContact NH1-O 3.12Å; F401-Y586 HydrophobicContact CB-CD1 3.9Å; F401-Y586 HydrophobicContact CB-CE1 4.4Å; F401-Y586 HydrophobicContact CB-CG 3.97Å; F401-Y586 HydrophobicContact CD2-CD1 4.45Å; F401-Y586 AromaticContact CD2-CD2 3.58Å; F401-Y586 HydrophobicContact CD2-CD2 3.58Å; F401-Y586 HydrophobicContact CD2-CE2 4.12Å; F401-Y586 AromaticContact CD2-CG 3.76Å; F401-Y586 HydrophobicContact CD2-CG 3.76Å; F401-Y586 HydrophobicContact CE2-CD2 4.26Å; F401-Y586 HydrophobicContact CG-CD2 4.43Å; F401-Y586 HydrophobicContact CG-CG 4.18Å; V582-Y586 HydrophobicContact CG1-CE2 4.14Å; V582-Y586 WeakPolarHBondContact O-CD2 3.47Å; S583-Y586 PolarHBondContact O-N 3.11Å; S583-Y586 VanDerWaalsContact O-N 3.13Å; F584-Y586 VanDerWaalsContact C-N 3.26Å; F584-Y586 PolarHBondContact O-N 3.26Å
587	W	94.5	Very high	94.4	Very high	6 Å²	6	20.2 Å²	20.2	2%	0.023	11%	0.105	C	C	.	.	H	α-helix	trans	-66.6	-42.8	175	164.6	-120.8	0	0	0	111.8	F370 W371 I486 E518 S583 F584 D589 E590 A591	F370-W587 HydrophobicContact CB-CB 3.93Å; F370-W587 HydrophobicContact CB-CD2 3.9Å; F370-W587 HydrophobicContact CB-CG 3.52Å; F370-W587 HydrophobicContact CD2-CB 4.31Å; F370-W587 HydrophobicContact CG-CB 4.23Å; F370-W587 AromaticContact CG-CD1 3.92Å; F370-W587 HydrophobicContact CG-CG 4.1Å; W371-W587 AromaticContact CD1-CE3 3.99Å; W371-W587 AromaticContact CD1-CZ3 3.97Å; W371-W587 HydrophobicContact CD2-CE3 4.27Å; W371-W587 AromaticContact CE2-CE3 3.62Å; W371-W587 HydrophobicContact CG-CE3 4.45Å; W371-W587 HydrophobicContact CH2-CB 3.53Å; W371-W587 VanDerWaalsContact CZ2-CA 3.47Å; W371-W587 HydrophobicContact CZ2-CB 3.62Å; W371-W587 HydrophobicContact CZ2-CD2 4.43Å; W371-W587 AromaticContact CZ2-CE3 3.9Å; W371-W587 HydrophobicContact CZ2-CE3 3.9Å; W371-W587 HydrophobicContact CZ2-CG 4.39Å; W371-W587 HydrophobicContact CZ3-CB 4.16Å; W371-W587 AromaticContact NE1-CE3 3.45Å; W371-W587 AromaticContact NE1-CZ3 3.76Å; I486-W587 HydrophobicContact CD1-CZ2 4.12Å; E518-W587 PolarHBondContact OE1-NE1 2.98Å; S583-W587 PolarHBondContact O-N 3.45Å; F584-W587 AromaticContact CD2-CD1 3.81Å; F584-W587 AromaticContact CE2-CD1 3.87Å; F584-W587 PolarHBondContact O-N 3.49Å; W587-D589 PolarHBondContact O-N 3.36Å; W587-D589 VanDerWaalsContact O-N 3.13Å; W587-E590 HydrophobicContact CE3-CB 4.11Å; W587-E590 HydrophobicContact CE3-CG 4.33Å; W587-E590 HydrophobicContact CZ3-CB 4.18Å; W587-E590 HydrophobicContact CZ3-CG 3.91Å; W587-E590 PolarHBondContact O-N 2.85Å; W587-A591 HydrophobicContact CD2-CB 4.12Å; W587-A591 HydrophobicContact CH2-CB 4.28Å; W587-A591 HydrophobicContact CZ2-CB 3.77Å; W587-A591 PolarHBondContact O-N 3.33Å
588	K	95.6	Very high	94.1	Very high	17 Å²	17	20.5 Å²	20.5	7%	0.074	11%	0.106	C	C	.	.	H	α-helix	trans	-56.4	-35.3	-176.4	70.2	97.5	-179.8	154.1	0	112.4	V545 V547 F584 M585 E590 A591 F592 L622	V545-K588 HydrophobicContact CG1-CB 3.79Å; V545-K588 HydrophobicContact CG1-CG 4.06Å; V545-K588 HydrophobicContact CG2-CD 4.12Å; V545-K588 HydrophobicContact CG2-CG 4.28Å; V547-K588 PolarHBondContact O-NZ 3.28Å; F584-K588 PolarHBondContact O-N 3.35Å; M585-K588 VanDerWaalsContact O-CG 3.27Å; M585-K588 WeakPolarHBondContact O-CG 3.41Å; K588-E590 PolarHBondContact O-N 3.19Å; K588-A591 PolarHBondContact O-N 3.28Å; K588-F592 HydrophobicContact CB-CD2 4.31Å; K588-F592 HydrophobicContact CD-CD2 4.47Å; K588-F592 WeakPolarHBondContact O-CB 3.42Å; K588-F592 VanDerWaalsContact O-CD2 3.26Å; K588-F592 WeakPolarHBondContact O-CD2 3.06Å; K588-F592 PolarHBondContact O-N 3.13Å; K588-L622 HydrophobicContact CB-CD2 3.97Å
589	D	92.9	Very high	94	Very high	68 Å²	68	20.3 Å²	20.3	36%	0.364	11%	0.105	S	C	.	.	H	α-helix	trans	-61	-45	177.2	-66.4	-29.6	0	0	0	112.1	L404 W587 A593	L404-D589 HydrophobicContact CD1-CB 4.23Å; W587-D589 PolarHBondContact O-N 3.36Å; W587-D589 VanDerWaalsContact O-N 3.13Å; D589-A593 VanDerWaalsContact O-CB 3.23Å; D589-A593 WeakPolarHBondContact O-CB 3.28Å; D589-A593 PolarHBondContact O-N 3.03Å
590	E	92.4	Very high	94	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-66.9	-46.5	173.5	178.7	-178.7	178.3	0	0	111.4	W371 R374 S377 Y408 L412 W587 K588 F592 A593 L594	W371-E590 PolarHBondContact NE1-OE2 3.04Å; R374-E590 IonicContact CZ-OE1 3.81Å; R374-E590 IonicContact NE-OE1 2.78Å; R374-E590 PolarHBondContact NE-OE1 3.02Å; R374-E590 IonicContact NH2-OE1 2.78Å; S377-E590 PolarHBondContact OG-OE1 3.29Å; S377-E590 PolarHBondContact OG-OE2 3.39Å; Y408-E590 PolarHBondContact OH-OE1 3.04Å; Y408-E590 PolarHBondContact OH-OE2 3.14Å; L412-E590 HydrophobicContact CD2-CG 4.42Å; W587-E590 HydrophobicContact CE3-CB 4.11Å; W587-E590 HydrophobicContact CE3-CG 4.33Å; W587-E590 HydrophobicContact CZ3-CB 4.18Å; W587-E590 HydrophobicContact CZ3-CG 3.91Å; W587-E590 PolarHBondContact O-N 2.85Å; K588-E590 PolarHBondContact O-N 3.19Å; E590-F592 VanDerWaalsContact C-N 3.3Å; E590-F592 PolarHBondContact O-N 2.88Å; E590-A593 PolarHBondContact O-N 2.94Å; E590-L594 HydrophobicContact CG-CD1 4.27Å; E590-L594 WeakPolarHBondContact O-CG 3.39Å; E590-L594 PolarHBondContact O-N 2.89Å
591	A	95.5	Very high	93.9	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-58.9	-42.1	-177.2	0	0	0	0	0	111.8	W459 F520 W587 K588 L622	W459-A591 PolarHBondContact NE1-O 3.03Å; F520-A591 HydrophobicContact CZ-CB 4Å; W587-A591 HydrophobicContact CD2-CB 4.12Å; W587-A591 HydrophobicContact CH2-CB 4.28Å; W587-A591 HydrophobicContact CZ2-CB 3.77Å; W587-A591 PolarHBondContact O-N 3.33Å; K588-A591 PolarHBondContact O-N 3.28Å; A591-L622 HydrophobicContact CB-CD2 3.9Å
592	F	96.9	Very high	94	Very high	2 Å²	2	24.8 Å²	24.8	1%	0.009	12%	0.123	C	C	.	.	H	α-helix	trans	-71.2	-45.2	174.5	-83.6	-80	0	0	0	111.5	F520 V547 K588 E590 L594 W595 H617 Y620 L622	F520-F592 HydrophobicContact CD1-CE1 4.13Å; F520-F592 HydrophobicContact CD1-CZ 4.14Å; F520-F592 AromaticContact CE1-CD1 3.91Å; F520-F592 HydrophobicContact CE1-CD1 3.91Å; F520-F592 HydrophobicContact CE1-CD2 4.18Å; F520-F592 AromaticContact CE1-CE1 3.66Å; F520-F592 HydrophobicContact CE1-CE1 3.66Å; F520-F592 AromaticContact CE1-CE2 3.93Å; F520-F592 HydrophobicContact CE1-CE2 3.93Å; F520-F592 HydrophobicContact CE1-CG 4.17Å; F520-F592 AromaticContact CE1-CZ 3.66Å; F520-F592 HydrophobicContact CE1-CZ 3.66Å; V547-F592 HydrophobicContact CB-CB 4.48Å; V547-F592 HydrophobicContact CB-CD1 3.82Å; V547-F592 HydrophobicContact CB-CD2 4.27Å; V547-F592 HydrophobicContact CB-CE1 4.05Å; V547-F592 HydrophobicContact CB-CG 3.94Å; V547-F592 HydrophobicContact CB-CZ 4.4Å; V547-F592 HydrophobicContact CG2-CB 4.09Å; V547-F592 HydrophobicContact CG2-CD1 4.27Å; V547-F592 HydrophobicContact CG2-CG 4.1Å; K588-F592 HydrophobicContact CB-CD2 4.31Å; K588-F592 HydrophobicContact CD-CD2 4.47Å; K588-F592 WeakPolarHBondContact O-CB 3.42Å; K588-F592 VanDerWaalsContact O-CD2 3.26Å; K588-F592 WeakPolarHBondContact O-CD2 3.06Å; K588-F592 PolarHBondContact O-N 3.13Å; E590-F592 VanDerWaalsContact C-N 3.3Å; E590-F592 PolarHBondContact O-N 2.88Å; F592-L594 PolarHBondContact O-N 3.24Å; F592-L594 VanDerWaalsContact O-N 3.13Å; F592-W595 WeakPolarHBondContact O-CB 3.38Å; F592-W595 PolarHBondContact O-N 3.48Å; F592-H617 WeakPolarHBondContact CD1-O 3.27Å; F592-H617 WeakPolarHBondContact CE1-O 3.43Å; F592-H617 PolarHBondContact O-CD2 3.39Å; F592-H617 VanDerWaalsContact O-CD2 3.28Å; F592-Y620 WeakPolarHBondContact CZ-O 3.4Å; F592-L622 HydrophobicContact CE2-CB 3.86Å; F592-L622 HydrophobicContact CZ-CB 4.21Å
593	A	93.6	Very high	94.2	Very high	28 Å²	28	23.2 Å²	23.2	23%	0.231	11%	0.112	C	C	.	.	H	α-helix	trans	-56	-34.2	179.7	0	0	0	0	0	113.1	D589 E590 W595 I596 E597	D589-A593 VanDerWaalsContact O-CB 3.23Å; D589-A593 WeakPolarHBondContact O-CB 3.28Å; D589-A593 PolarHBondContact O-N 3.03Å; E590-A593 PolarHBondContact O-N 2.94Å; A593-W595 VanDerWaalsContact C-N 3.28Å; A593-W595 PolarHBondContact O-N 2.76Å; A593-I596 PolarHBondContact O-N 2.87Å; A593-E597 WeakPolarHBondContact O-CB 3.4Å; A593-E597 WeakPolarHBondContact O-CG 3.27Å; A593-E597 PolarHBondContact O-N 2.61Å
594	L	93.8	Very high	94.3	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-59.3	-31.7	177.4	-78.4	168.6	0	0	0	114.1	L412 P458 W459 E590 F592 I596 Q598	L412-L594 HydrophobicContact CD2-CD2 3.46Å; L412-L594 VanDerWaalsContact CD2-CD2 3.46Å; L412-L594 HydrophobicContact CD2-CG 4.05Å; P458-L594 HydrophobicContact CB-CB 4.03Å; W459-L594 VanDerWaalsContact CD1-CD1 3.47Å; W459-L594 HydrophobicContact CG-CD1 4.14Å; E590-L594 HydrophobicContact CG-CD1 4.27Å; E590-L594 WeakPolarHBondContact O-CG 3.39Å; E590-L594 PolarHBondContact O-N 2.89Å; F592-L594 PolarHBondContact O-N 3.24Å; F592-L594 VanDerWaalsContact O-N 3.13Å; L594-I596 VanDerWaalsContact C-N 3.26Å; L594-I596 PolarHBondContact O-N 2.71Å; L594-Q598 HydrophobicContact CD2-CG 3.98Å; L594-Q598 PolarHBondContact O-N 2.94Å; L594-Q598 VanDerWaalsContact O-N 3.14Å
595	W	96.8	Very high	94.2	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	17%	0.173	C	C	.	.	I	π-helix	trans	-57.7	-42.9	172.4	-78.4	109.1	0	0	0	111.3	V435 F439 W459 L484 F520 F592 A593 W599 A600 I613 I616 H617	V435-W595 HydrophobicContact CG1-CH2 3.83Å; V435-W595 HydrophobicContact CG1-CZ3 3.84Å; F439-W595 AromaticContact CE2-CH2 3.78Å; F439-W595 HydrophobicContact CE2-CH2 3.78Å; F439-W595 HydrophobicContact CE2-CZ3 4.46Å; F439-W595 AromaticContact CZ-CH2 3.83Å; F439-W595 HydrophobicContact CZ-CH2 3.83Å; F439-W595 HydrophobicContact CZ-CZ2 4.18Å; W459-W595 AromaticContact CH2-CD2 3.49Å; W459-W595 HydrophobicContact CH2-CD2 3.49Å; W459-W595 VanDerWaalsContact CH2-CD2 3.49Å; W459-W595 AromaticContact CH2-CE2 3.26Å; W459-W595 AromaticContact CH2-CE3 3.79Å; W459-W595 HydrophobicContact CH2-CE3 3.79Å; W459-W595 HydrophobicContact CH2-CG 4.11Å; W459-W595 AromaticContact CH2-CH2 3.72Å; W459-W595 HydrophobicContact CH2-CH2 3.72Å; W459-W595 AromaticContact CH2-CZ2 3.39Å; W459-W595 HydrophobicContact CH2-CZ2 3.39Å; W459-W595 AromaticContact CH2-CZ3 3.9Å; W459-W595 HydrophobicContact CH2-CZ3 3.9Å; W459-W595 AromaticContact CH2-NE1 3.74Å; W459-W595 AromaticContact CZ2-CD1 3.61Å; W459-W595 AromaticContact CZ2-CD2 3.69Å; W459-W595 HydrophobicContact CZ2-CD2 3.69Å; W459-W595 AromaticContact CZ2-CE2 3.4Å; W459-W595 VanDerWaalsContact CZ2-CE2 3.4Å; W459-W595 HydrophobicContact CZ2-CE3 4.41Å; W459-W595 AromaticContact CZ2-CG 3.82Å; W459-W595 HydrophobicContact CZ2-CG 3.82Å; W459-W595 AromaticContact CZ2-CZ2 3.94Å; W459-W595 HydrophobicContact CZ2-CZ2 3.94Å; W459-W595 AromaticContact CZ2-NE1 3.33Å; W459-W595 VanDerWaalsContact CZ2-NE1 3.33Å; W459-W595 HydrophobicContact CZ3-CH2 4.39Å; W459-W595 HydrophobicContact CZ3-CZ2 4.3Å; L484-W595 HydrophobicContact CD1-CH2 4.03Å; L484-W595 HydrophobicContact CD1-CZ2 4.32Å; F520-W595 HydrophobicContact CB-CZ2 4.3Å; F520-W595 AromaticContact CD1-NE1 3.73Å; F520-W595 HydrophobicContact CD2-CZ2 4.02Å; F520-W595 AromaticContact CD2-NE1 3.66Å; F520-W595 AromaticContact CE1-NE1 3.56Å; F520-W595 AromaticContact CE2-NE1 3.49Å; F520-W595 HydrophobicContact CG-CZ2 4.16Å; F520-W595 AromaticContact CG-NE1 3.77Å; F520-W595 AromaticContact CZ-CD1 4Å; F520-W595 AromaticContact CZ-NE1 3.44Å; F592-W595 WeakPolarHBondContact O-CB 3.38Å; F592-W595 PolarHBondContact O-N 3.48Å; A593-W595 VanDerWaalsContact C-N 3.28Å; A593-W595 PolarHBondContact O-N 2.76Å; W595-W599 AromaticContact CE3-CE3 3.9Å; W595-W599 HydrophobicContact CE3-CE3 3.9Å; W595-W599 HydrophobicContact CE3-CZ3 4.45Å; W595-W599 HydrophobicContact CH2-CZ3 4.27Å; W595-W599 HydrophobicContact CZ3-CD2 4.4Å; W595-W599 AromaticContact CZ3-CE3 3.57Å; W595-W599 HydrophobicContact CZ3-CE3 3.57Å; W595-W599 AromaticContact CZ3-CZ3 3.69Å; W595-W599 HydrophobicContact CZ3-CZ3 3.69Å; W595-W599 WeakPolarHBondContact O-CB 3.4Å; W595-W599 PolarHBondContact O-N 2.9Å; W595-A600 PolarHBondContact O-N 3.1Å; W595-I613 HydrophobicContact CB-CG2 4.3Å; W595-I613 HydrophobicContact CE3-CD1 4.36Å; W595-I613 HydrophobicContact CE3-CG2 4.01Å; W595-I613 HydrophobicContact CZ3-CD1 4.21Å; W595-I613 WeakPolarHBondContact O-CG2 3.09Å; W595-I616 HydrophobicContact CD2-CG2 4.2Å; W595-I616 HydrophobicContact CE3-CG2 4.38Å; W595-I616 HydrophobicContact CH2-CG2 3.84Å; W595-I616 HydrophobicContact CZ2-CG2 3.65Å; W595-I616 HydrophobicContact CZ3-CG2 4.2Å; W595-H617 HydrophobicContact CB-CB 4.16Å
596	I	94.4	Very high	94.2	Very high	31 Å²	31	41.5 Å²	41.5	16%	0.159	20%	0.2	C	C	.	.	I	π-helix	trans	-81.9	-51.2	-176.2	-55.8	-54.6	0	0	0	110.8	A593 L594 A600 K601 K614 H617	A593-I596 PolarHBondContact O-N 2.87Å; L594-I596 VanDerWaalsContact C-N 3.26Å; L594-I596 PolarHBondContact O-N 2.71Å; I596-A600 HydrophobicContact CD1-CB 4.09Å; I596-A600 HydrophobicContact CG2-CB 4.43Å; I596-A600 WeakPolarHBondContact O-CB 3.46Å; I596-A600 PolarHBondContact O-N 3.19Å; I596-K601 WeakPolarHBondContact O-CG 3.47Å; I596-K601 PolarHBondContact O-N 3.39Å; I596-K601 VanDerWaalsContact O-N 3.16Å; I596-K614 HydrophobicContact CD1-CG 4.02Å; I596-H617 HydrophobicContact CD1-CB 3.91Å; I596-H617 HydrophobicContact CG1-CB 4.47Å
597	E	90.6	Very high	94.4	Very high	61 Å²	61	38.8 Å²	38.8	29%	0.285	19%	0.192	S	C	.	.	I	π-helix	trans	-69.1	-38	-169.9	-69.7	-57.9	128.4	0	0	113.1	L409 A593 K601	L409-E597 HydrophobicContact CD2-CG 4.36Å; L409-E597 WeakPolarHBondContact CD2-OE2 3.37Å; A593-E597 WeakPolarHBondContact O-CB 3.4Å; A593-E597 WeakPolarHBondContact O-CG 3.27Å; A593-E597 PolarHBondContact O-N 2.61Å; E597-K601 VanDerWaalsContact OE1-CE 3.23Å; E597-K601 WeakPolarHBondContact OE1-CE 3.18Å; E597-K601 IonicContact OE1-NZ 3.09Å; E597-K601 PolarHBondContact OE1-NZ 2.78Å; E597-K601 WeakPolarHBondContact OE2-CE 3.44Å; E597-K601 IonicContact OE2-NZ 3.56Å; E597-K601 PolarHBondContact OE2-NZ 3.17Å
598	Q	90.8	Very high	94.5	Very high	16 Å²	16	43 Å²	43	8%	0.075	22%	0.221	C	C	.	.	I	π-helix	trans	-99.2	-38.3	-179.7	-69.7	-160.5	32.5	0	0	113.8	L412 W425 P458 L594 L602	L412-Q598 VanDerWaalsContact O-CD 3.28Å; L412-Q598 WeakPolarHBondContact O-CG 3.25Å; L412-Q598 PolarHBondContact O-NE2 3.37Å; W425-Q598 HydrophobicContact CH2-CB 4.36Å; W425-Q598 HydrophobicContact CZ3-CB 4.41Å; P458-Q598 HydrophobicContact CB-CB 4.08Å; P458-Q598 HydrophobicContact CG-CB 4.32Å; P458-Q598 PolarHBondContact O-NE2 2.84Å; L594-Q598 HydrophobicContact CD2-CG 3.98Å; L594-Q598 PolarHBondContact O-N 2.94Å; L594-Q598 VanDerWaalsContact O-N 3.14Å; Q598-L602 WeakPolarHBondContact O-CG 3.4Å
599	W	95.7	Very high	94.6	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.219	C	C	.	.	I	π-helix	trans	-99.3	-54	-172.4	-154.8	-25	0	0	0	112.6	W425 V435 V438 F439 P458 W459 W595 K601 L602 Y603 I613	W425-W599 HydrophobicContact CB-CZ2 3.91Å; W425-W599 HydrophobicContact CD2-CD2 4.42Å; W425-W599 HydrophobicContact CE3-CB 4.26Å; W425-W599 AromaticContact CE3-CD1 3.78Å; W425-W599 AromaticContact CE3-CD2 3.93Å; W425-W599 HydrophobicContact CE3-CD2 3.93Å; W425-W599 AromaticContact CE3-CG 3.75Å; W425-W599 HydrophobicContact CE3-CG 3.75Å; W425-W599 AromaticContact CE3-NE1 4Å; W425-W599 HydrophobicContact CG-CZ2 4.26Å; W425-W599 HydrophobicContact CZ3-CB 4.12Å; W425-W599 HydrophobicContact CZ3-CD2 4.45Å; W425-W599 HydrophobicContact CZ3-CG 4.11Å; V435-W599 HydrophobicContact CG1-CH2 3.74Å; V435-W599 HydrophobicContact CG1-CZ2 4.25Å; V435-W599 HydrophobicContact CG1-CZ3 4.14Å; V438-W599 HydrophobicContact CB-CH2 3.87Å; V438-W599 HydrophobicContact CB-CZ2 4.08Å; V438-W599 HydrophobicContact CG1-CH2 3.67Å; V438-W599 HydrophobicContact CG1-CZ2 3.95Å; V438-W599 HydrophobicContact CG2-CH2 4.36Å; V438-W599 HydrophobicContact CG2-CZ2 4.06Å; F439-W599 HydrophobicContact CD2-CH2 4.31Å; F439-W599 HydrophobicContact CD2-CZ3 4.42Å; F439-W599 AromaticContact CE2-CH2 3.97Å; F439-W599 HydrophobicContact CE2-CH2 3.97Å; F439-W599 AromaticContact CE2-CZ3 3.66Å; F439-W599 HydrophobicContact CE2-CZ3 3.66Å; F439-W599 HydrophobicContact CZ-CZ3 4.41Å; P458-W599 HydrophobicContact CG-CB 4.31Å; P458-W599 HydrophobicContact CG-CD2 4.47Å; P458-W599 HydrophobicContact CG-CE3 3.74Å; P458-W599 HydrophobicContact CG-CZ3 4.43Å; W459-W599 HydrophobicContact CZ3-CZ3 4.46Å; W595-W599 AromaticContact CE3-CE3 3.9Å; W595-W599 HydrophobicContact CE3-CE3 3.9Å; W595-W599 HydrophobicContact CE3-CZ3 4.45Å; W595-W599 HydrophobicContact CH2-CZ3 4.27Å; W595-W599 HydrophobicContact CZ3-CD2 4.4Å; W595-W599 AromaticContact CZ3-CE3 3.57Å; W595-W599 HydrophobicContact CZ3-CE3 3.57Å; W595-W599 AromaticContact CZ3-CZ3 3.69Å; W595-W599 HydrophobicContact CZ3-CZ3 3.69Å; W595-W599 WeakPolarHBondContact O-CB 3.4Å; W595-W599 PolarHBondContact O-N 2.9Å; W599-K601 VanDerWaalsContact C-N 3.34Å; W599-K601 PolarHBondContact O-N 3.12Å; W599-L602 VanDerWaalsContact O-CB 3.29Å; W599-L602 WeakPolarHBondContact O-CB 3.43Å; W599-L602 WeakPolarHBondContact O-CG 3.45Å; W599-L602 PolarHBondContact O-N 3.35Å; W599-L602 VanDerWaalsContact O-N 3.11Å; W599-Y603 AromaticContact CD1-CE2 3.69Å; W599-Y603 AromaticContact NE1-CE2 3.98Å; W599-Y603 PolarHBondContact NE1-OH 3.1Å; W599-I613 HydrophobicContact CB-CG2 4.35Å; W599-I613 HydrophobicContact CD2-CD1 3.94Å; W599-I613 HydrophobicContact CG-CD1 4Å; W599-I613 HydrophobicContact CG-CG1 4.3Å
600	A	95.9	Very high	94.8	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-62.2	-39.4	-175.2	0	0	0	0	0	112.7	W595 I596 L602 Y603 R610 I613	W595-A600 PolarHBondContact O-N 3.1Å; I596-A600 HydrophobicContact CD1-CB 4.09Å; I596-A600 HydrophobicContact CG2-CB 4.43Å; I596-A600 WeakPolarHBondContact O-CB 3.46Å; I596-A600 PolarHBondContact O-N 3.19Å; A600-L602 PolarHBondContact O-N 2.8Å; A600-Y603 PolarHBondContact O-N 3Å; A600-Y603 VanDerWaalsContact O-N 3.11Å; A600-R610 HydrophobicContact CB-CG 4.06Å; A600-I613 HydrophobicContact CB-CB 4.2Å; A600-I613 HydrophobicContact CB-CG2 3.76Å
601	K	93.8	Very high	95.1	Very high	98 Å²	98	46.4 Å²	46.4	43%	0.426	24%	0.235	S	C	.	.	G	3₁₀ helix	trans	-67.9	-7.9	178.3	-74	-176.9	-175.2	178.9	0	114.6	I596 E597 W599 Y603	I596-K601 WeakPolarHBondContact O-CG 3.47Å; I596-K601 PolarHBondContact O-N 3.39Å; I596-K601 VanDerWaalsContact O-N 3.16Å; E597-K601 VanDerWaalsContact OE1-CE 3.23Å; E597-K601 WeakPolarHBondContact OE1-CE 3.18Å; E597-K601 IonicContact OE1-NZ 3.09Å; E597-K601 PolarHBondContact OE1-NZ 2.78Å; E597-K601 WeakPolarHBondContact OE2-CE 3.44Å; E597-K601 IonicContact OE2-NZ 3.56Å; E597-K601 PolarHBondContact OE2-NZ 3.17Å; W599-K601 VanDerWaalsContact C-N 3.34Å; W599-K601 PolarHBondContact O-N 3.12Å; K601-Y603 PolarHBondContact O-N 2.9Å
602	L	94.6	Very high	95.2	Very high	17 Å²	17	47.5 Å²	47.5	9%	0.089	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-66.3	-30.8	169.6	-59.9	179.3	0	0	0	111.1	K418 L421 V422 W425 Q598 W599 A600	K418-L602 WeakPolarHBondContact CE-O 3.43Å; K418-L602 HydrophobicContact CG-CD2 3.84Å; K418-L602 PolarHBondContact NZ-O 3.31Å; L421-L602 HydrophobicContact CB-CD1 3.89Å; L421-L602 HydrophobicContact CB-CD2 4.11Å; L421-L602 HydrophobicContact CD1-CD2 4.11Å; V422-L602 HydrophobicContact CG2-CB 3.99Å; V422-L602 HydrophobicContact CG2-CD1 4.32Å; V422-L602 HydrophobicContact CG2-CD2 4.42Å; V422-L602 HydrophobicContact CG2-CG 4.47Å; W425-L602 HydrophobicContact CD2-CD1 4.44Å; W425-L602 HydrophobicContact CE3-CD1 3.42Å; W425-L602 VanDerWaalsContact CE3-CD1 3.42Å; W425-L602 HydrophobicContact CZ3-CD1 3.8Å; Q598-L602 WeakPolarHBondContact O-CG 3.4Å; W599-L602 VanDerWaalsContact O-CB 3.29Å; W599-L602 WeakPolarHBondContact O-CB 3.43Å; W599-L602 WeakPolarHBondContact O-CG 3.45Å; W599-L602 PolarHBondContact O-N 3.35Å; W599-L602 VanDerWaalsContact O-N 3.11Å; A600-L602 PolarHBondContact O-N 2.8Å
603	Y	96.4	Very high	95.3	Very high	17 Å²	17	47.4 Å²	47.4	7%	0.067	24%	0.241	C	C	.	.	S	Bend	trans	-104.6	156.6	-175	-46	-70.4	0	0	0	112.5	G426 E427 L429 W599 A600 K601 S607 R610 I613	G426-Y603 VanDerWaalsContact O-CE1 3.26Å; G426-Y603 WeakPolarHBondContact O-CE1 3.23Å; G426-Y603 PolarHBondContact O-OH 3.07Å; E427-Y603 WeakPolarHBondContact O-CE1 3.42Å; L429-Y603 HydrophobicContact CD1-CE2 3.88Å; L429-Y603 HydrophobicContact CG-CE2 4.41Å; W599-Y603 AromaticContact CD1-CE2 3.69Å; W599-Y603 AromaticContact NE1-CE2 3.98Å; W599-Y603 PolarHBondContact NE1-OH 3.1Å; A600-Y603 PolarHBondContact O-N 3Å; A600-Y603 VanDerWaalsContact O-N 3.11Å; K601-Y603 PolarHBondContact O-N 2.9Å; Y603-S607 VanDerWaalsContact CB-OG 3.32Å; Y603-S607 WeakPolarHBondContact CB-OG 3.48Å; Y603-R610 PolarHBondContact O-NH1 3.04Å; Y603-I613 HydrophobicContact CE2-CG1 4.37Å
604	E	95.6	Very high	95.5	Very high	162 Å²	162	50.1 Å²	50.1	76%	0.757	25%	0.247	S	C	*	.			trans	-62.4	149.8	175.9	-63.2	-175.6	170.6	0	0	111.7	E606 S607 R610	E604-E606 VanDerWaalsContact C-N 3.29Å; E604-E606 PolarHBondContact O-N 3.09Å; E604-S607 WeakPolarHBondContact O-CB 3.18Å; E604-S607 PolarHBondContact O-N 2.79Å; E604-S607 PolarHBondContact O-OG 3.16Å; E604-R610 WeakPolarHBondContact O-CD 3.44Å
605	D	91.9	Very high	95.7	Very high	100 Å²	100	54.9 Å²	54.9	54%	0.535	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-40.1	-171.4	-77.1	51	0	0	0	114.1	R610	D605-R610 VanDerWaalsContact CG-CZ 3.48Å; D605-R610 VanDerWaalsContact CG-NH2 3.34Å; D605-R610 IonicContact OD1-CZ 3.71Å; D605-R610 IonicContact OD1-NH1 3.17Å; D605-R610 PolarHBondContact OD1-NH1 2.82Å; D605-R610 IonicContact OD1-NH2 2.72Å; D605-R610 PolarHBondContact OD1-NH2 3.07Å; D605-R610 IonicContact OD2-CZ 3.12Å; D605-R610 IonicContact OD2-NH1 3.86Å; D605-R610 IonicContact OD2-NH2 3.58Å; D605-R610 PolarHBondContact OD2-NH2 3.47Å
606	E	94	Very high	95.8	Very high	171 Å²	171	54.9 Å²	54.9	80%	0.799	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.1	9.1	-177.3	-58.1	-58.8	149.3	0	0	113.5	E604	E604-E606 VanDerWaalsContact C-N 3.29Å; E604-E606 PolarHBondContact O-N 3.09Å
607	S	97	Very high	95.9	Very high	21 Å²	21	54.8 Å²	54.8	15%	0.147	27%	0.265	C	S	.	.			trans	-75.4	145.4	-176.6	66.8	0	0	0	0	112.5	Y603 E604 S609 R610 M611	Y603-S607 VanDerWaalsContact CB-OG 3.32Å; Y603-S607 WeakPolarHBondContact CB-OG 3.48Å; E604-S607 WeakPolarHBondContact O-CB 3.18Å; E604-S607 PolarHBondContact O-N 2.79Å; E604-S607 PolarHBondContact O-OG 3.16Å; S607-S609 PolarHBondContact O-N 3.02Å; S607-R610 PolarHBondContact O-N 3.44Å; S607-R610 VanDerWaalsContact O-N 3.1Å; S607-R610 WeakPolarHBondContact OG-CB 3.42Å; S607-R610 PolarHBondContact OG-N 3.25Å; S607-M611 PolarHBondContact O-N 3.41Å; S607-M611 VanDerWaalsContact O-N 3.15Å
608	P	97	Very high	96.3	Very high	95 Å²	95	55.4 Å²	55.4	62%	0.617	27%	0.27	S	S	*	.	H	α-helix	trans	-54.6	-38.4	173	-27	35	0	0	0	113	R610 M611 I612	P608-R610 VanDerWaalsContact C-N 3.33Å; P608-R610 PolarHBondContact O-N 3.1Å; P608-M611 WeakPolarHBondContact O-CB 3.47Å; P608-M611 PolarHBondContact O-N 3.32Å; P608-I612 WeakPolarHBondContact O-CG1 3.41Å; P608-I612 PolarHBondContact O-N 3.19Å
609	S	97.6	Very high	96.6	Very high	7 Å²	7	58.1 Å²	58.1	5%	0.049	29%	0.285	C	S	.	.	H	α-helix	trans	-58	-44.4	177.2	-55.2	0	0	0	0	112.3	E428 L429 S607 I612 I613	E428-S609 WeakPolarHBondContact CA-OG 3.43Å; L429-S609 PolarHBondContact N-OG 2.89Å; S607-S609 PolarHBondContact O-N 3.02Å; S609-I612 PolarHBondContact O-N 3.36Å; S609-I613 PolarHBondContact O-N 3.29Å
610	R	97.5	Very high	96.7	Very high	27 Å²	27	58.3 Å²	58.3	10%	0.102	29%	0.286	C	S	.	.	H	α-helix	trans	-68.6	-36.9	178.6	-166.7	167.8	175.4	170.6	-24.4	112.2	A600 Y603 E604 D605 S607 P608 I612 I613 K614	A600-R610 HydrophobicContact CB-CG 4.06Å; Y603-R610 PolarHBondContact O-NH1 3.04Å; E604-R610 WeakPolarHBondContact O-CD 3.44Å; D605-R610 VanDerWaalsContact CG-CZ 3.48Å; D605-R610 VanDerWaalsContact CG-NH2 3.34Å; D605-R610 IonicContact OD1-CZ 3.71Å; D605-R610 IonicContact OD1-NH1 3.17Å; D605-R610 PolarHBondContact OD1-NH1 2.82Å; D605-R610 IonicContact OD1-NH2 2.72Å; D605-R610 PolarHBondContact OD1-NH2 3.07Å; D605-R610 IonicContact OD2-CZ 3.12Å; D605-R610 IonicContact OD2-NH1 3.86Å; D605-R610 IonicContact OD2-NH2 3.58Å; D605-R610 PolarHBondContact OD2-NH2 3.47Å; S607-R610 PolarHBondContact O-N 3.44Å; S607-R610 VanDerWaalsContact O-N 3.1Å; S607-R610 WeakPolarHBondContact OG-CB 3.42Å; S607-R610 PolarHBondContact OG-N 3.25Å; P608-R610 VanDerWaalsContact C-N 3.33Å; P608-R610 PolarHBondContact O-N 3.1Å; R610-I612 VanDerWaalsContact C-N 3.31Å; R610-I612 PolarHBondContact O-N 3.42Å; R610-I613 PolarHBondContact O-N 3.38Å; R610-K614 HydrophobicContact CG-CD 4.49Å; R610-K614 WeakPolarHBondContact O-CB 3.49Å; R610-K614 WeakPolarHBondContact O-CG 3.1Å; R610-K614 PolarHBondContact O-N 3.23Å
611	M	97.6	Very high	96.9	Very high	121 Å²	121	59.8 Å²	59.8	60%	0.596	29%	0.292	S	S	*	.	H	α-helix	trans	-62.3	-38.8	176	-66.2	-178.5	66.6	0	0	111.9	S607 P608 K614 Y615	S607-M611 PolarHBondContact O-N 3.41Å; S607-M611 VanDerWaalsContact O-N 3.15Å; P608-M611 WeakPolarHBondContact O-CB 3.47Å; P608-M611 PolarHBondContact O-N 3.32Å; M611-K614 PolarHBondContact O-N 2.97Å; M611-Y615 WeakPolarHBondContact O-CB 3.44Å; M611-Y615 PolarHBondContact O-N 2.48Å
612	I	98.3	Very high	97.1	Very high	24 Å²	24	55.1 Å²	55.1	12%	0.123	27%	0.272	C	S	.	.	H	α-helix	trans	-62.8	-47.8	175.9	-67.8	159.3	0	0	0	111	L429 E432 V435 P608 S609 R610 K614 Y615 I616	L429-I612 HydrophobicContact CB-CD1 3.89Å; L429-I612 WeakPolarHBondContact O-CD1 3.4Å; E432-I612 HydrophobicContact CG-CG2 4.5Å; V435-I612 HydrophobicContact CG2-CG2 4.21Å; P608-I612 WeakPolarHBondContact O-CG1 3.41Å; P608-I612 PolarHBondContact O-N 3.19Å; S609-I612 PolarHBondContact O-N 3.36Å; R610-I612 VanDerWaalsContact C-N 3.31Å; R610-I612 PolarHBondContact O-N 3.42Å; I612-K614 VanDerWaalsContact C-N 3.34Å; I612-K614 PolarHBondContact O-N 3.04Å; I612-Y615 WeakPolarHBondContact O-CB 3.41Å; I612-Y615 PolarHBondContact O-N 3.39Å; I612-I616 HydrophobicContact CG2-CD1 4.43Å; I612-I616 WeakPolarHBondContact O-CG1 3.36Å; I612-I616 PolarHBondContact O-N 3.34Å
613	I	98.3	Very high	97.3	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-64.2	-41	178.6	-61.3	-59	0	0	0	111.4	L429 V435 W595 W599 A600 Y603 S609 R610 I616 H617	L429-I613 HydrophobicContact CD1-CD1 3.56Å; L429-I613 HydrophobicContact CD1-CG1 3.7Å; V435-I613 HydrophobicContact CG2-CD1 3.79Å; W595-I613 HydrophobicContact CB-CG2 4.3Å; W595-I613 HydrophobicContact CE3-CD1 4.36Å; W595-I613 HydrophobicContact CE3-CG2 4.01Å; W595-I613 HydrophobicContact CZ3-CD1 4.21Å; W595-I613 WeakPolarHBondContact O-CG2 3.09Å; W599-I613 HydrophobicContact CB-CG2 4.35Å; W599-I613 HydrophobicContact CD2-CD1 3.94Å; W599-I613 HydrophobicContact CG-CD1 4Å; W599-I613 HydrophobicContact CG-CG1 4.3Å; A600-I613 HydrophobicContact CB-CB 4.2Å; A600-I613 HydrophobicContact CB-CG2 3.76Å; Y603-I613 HydrophobicContact CE2-CG1 4.37Å; S609-I613 PolarHBondContact O-N 3.29Å; R610-I613 PolarHBondContact O-N 3.38Å; I613-I616 PolarHBondContact O-N 3.36Å; I613-H617 PolarHBondContact O-N 3.41Å
614	K	97.6	Very high	97.4	Very high	85 Å²	85	53.7 Å²	53.7	37%	0.37	27%	0.266	S	S	.	.	H	α-helix	trans	-61.6	-42.6	173.9	-83	179.9	154.1	177.1	0	112.1	I596 R610 M611 I612 I616 H617 D618	I596-K614 HydrophobicContact CD1-CG 4.02Å; R610-K614 HydrophobicContact CG-CD 4.49Å; R610-K614 WeakPolarHBondContact O-CB 3.49Å; R610-K614 WeakPolarHBondContact O-CG 3.1Å; R610-K614 PolarHBondContact O-N 3.23Å; M611-K614 PolarHBondContact O-N 2.97Å; I612-K614 VanDerWaalsContact C-N 3.34Å; I612-K614 PolarHBondContact O-N 3.04Å; K614-I616 VanDerWaalsContact C-N 3.33Å; K614-I616 PolarHBondContact O-N 2.76Å; K614-H617 WeakPolarHBondContact O-CB 3.37Å; K614-H617 PolarHBondContact O-N 2.92Å; K614-D618 WeakPolarHBondContact O-CB 3.5Å; K614-D618 PolarHBondContact O-N 3.3Å
615	Y	98.1	Very high	97.6	Very high	99 Å²	99	46 Å²	46	39%	0.388	23%	0.229	S	C	.	.	H	α-helix	trans	-58.2	-45.8	176.5	174.9	-96.3	0	0	0	111.6	E432 M611 I612 D618 N619 Y620	E432-Y615 HydrophobicContact CG-CD1 4.46Å; M611-Y615 WeakPolarHBondContact O-CB 3.44Å; M611-Y615 PolarHBondContact O-N 2.48Å; I612-Y615 WeakPolarHBondContact O-CB 3.41Å; I612-Y615 PolarHBondContact O-N 3.39Å; Y615-D618 PolarHBondContact O-N 3.41Å; Y615-N619 VanDerWaalsContact CD2-ND2 3.28Å; Y615-N619 WeakPolarHBondContact CD2-ND2 3.44Å; Y615-N619 HydrophobicContact CE2-CB 4.37Å; Y615-N619 WeakPolarHBondContact CE2-ND2 3.44Å; Y615-N619 WeakPolarHBondContact O-CB 3.2Å; Y615-N619 PolarHBondContact O-N 2.97Å; Y615-N619 PolarHBondContact O-ND2 2.96Å; Y615-Y620 HydrophobicContact CE1-CE1 4.39Å
616	I	98.4	Very high	97.9	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-59.7	-51.5	175	-67.4	172.2	0	0	0	110.1	E432 V435 W595 I612 I613 K614 D618 N619 Y620	E432-I616 HydrophobicContact CG-CD1 4.41Å; E432-I616 HydrophobicContact CG-CG1 4.32Å; V435-I616 HydrophobicContact CB-CD1 4.03Å; V435-I616 HydrophobicContact CG1-CD1 3.98Å; V435-I616 HydrophobicContact CG2-CD1 3.76Å; W595-I616 HydrophobicContact CD2-CG2 4.2Å; W595-I616 HydrophobicContact CE3-CG2 4.38Å; W595-I616 HydrophobicContact CH2-CG2 3.84Å; W595-I616 HydrophobicContact CZ2-CG2 3.65Å; W595-I616 HydrophobicContact CZ3-CG2 4.2Å; I612-I616 HydrophobicContact CG2-CD1 4.43Å; I612-I616 WeakPolarHBondContact O-CG1 3.36Å; I612-I616 PolarHBondContact O-N 3.34Å; I613-I616 PolarHBondContact O-N 3.36Å; K614-I616 VanDerWaalsContact C-N 3.33Å; K614-I616 PolarHBondContact O-N 2.76Å; I616-D618 VanDerWaalsContact C-N 3.31Å; I616-D618 PolarHBondContact O-N 3.49Å; I616-N619 PolarHBondContact O-N 2.91Å; I616-Y620 HydrophobicContact CB-CD1 4.19Å; I616-Y620 HydrophobicContact CB-CE1 4.3Å; I616-Y620 HydrophobicContact CB-CG 4.43Å; I616-Y620 HydrophobicContact CG1-CD1 4.31Å; I616-Y620 HydrophobicContact CG1-CE1 3.89Å; I616-Y620 HydrophobicContact CG2-CD1 4.03Å; I616-Y620 HydrophobicContact CG2-CD2 3.81Å; I616-Y620 HydrophobicContact CG2-CE1 4.33Å; I616-Y620 HydrophobicContact CG2-CE2 4.12Å; I616-Y620 HydrophobicContact CG2-CG 3.77Å; I616-Y620 WeakPolarHBondContact O-CB 3.46Å; I616-Y620 PolarHBondContact O-N 3.22Å
617	H	98.3	Very high	98.1	Very high	30 Å²	30	33.2 Å²	33.2	14%	0.139	17%	0.167	C	C	.	.	H	α-helix	trans	-53.8	-45	178.2	168.3	-88.2	0	0	0	113.1	F592 W595 I596 I613 K614	F592-H617 WeakPolarHBondContact CD1-O 3.27Å; F592-H617 WeakPolarHBondContact CE1-O 3.43Å; F592-H617 PolarHBondContact O-CD2 3.39Å; F592-H617 VanDerWaalsContact O-CD2 3.28Å; W595-H617 HydrophobicContact CB-CB 4.16Å; I596-H617 HydrophobicContact CD1-CB 3.91Å; I596-H617 HydrophobicContact CG1-CB 4.47Å; I613-H617 PolarHBondContact O-N 3.41Å; K614-H617 WeakPolarHBondContact O-CB 3.37Å; K614-H617 PolarHBondContact O-N 2.92Å
618	D	97.8	Very high	98.2	Very high	73 Å²	73	33.7 Å²	33.7	39%	0.39	17%	0.168	S	C	.	.	H	α-helix	trans	-79.5	-26.7	-172.5	-65.1	-19.6	0	0	0	113.2	K614 Y615 I616	K614-D618 WeakPolarHBondContact O-CB 3.5Å; K614-D618 PolarHBondContact O-N 3.3Å; Y615-D618 PolarHBondContact O-N 3.41Å; I616-D618 VanDerWaalsContact C-N 3.31Å; I616-D618 PolarHBondContact O-N 3.49Å
619	N	97.6	Very high	98.2	Very high	74 Å²	74	32.2 Å²	32.2	40%	0.396	16%	0.155	S	C	.	.	H	α-helix	trans	-117.6	-19.9	-168.7	-61.4	-82.3	0	0	0	115	Y615 I616	Y615-N619 VanDerWaalsContact CD2-ND2 3.28Å; Y615-N619 WeakPolarHBondContact CD2-ND2 3.44Å; Y615-N619 HydrophobicContact CE2-CB 4.37Å; Y615-N619 WeakPolarHBondContact CE2-ND2 3.44Å; Y615-N619 WeakPolarHBondContact O-CB 3.2Å; Y615-N619 PolarHBondContact O-N 2.97Å; Y615-N619 PolarHBondContact O-ND2 2.96Å; I616-N619 PolarHBondContact O-N 2.91Å
620	Y	98.6	Very high	98.2	Very high	4 Å²	4	34.3 Å²	34.3	2%	0.016	16%	0.163	C	C	.	.			trans	-79.4	160.4	-179.9	-79.6	40.5	0	0	0	111.7	E432 F436 L484 F520 T521 F592 Y615 I616	E432-Y620 WeakPolarHBondContact OE2-CE1 3.4Å; E432-Y620 PolarHBondContact OE2-OH 3.35Å; F436-Y620 WeakPolarHBondContact CE1-OH 3.28Å; F436-Y620 WeakPolarHBondContact CZ-OH 3.5Å; L484-Y620 HydrophobicContact CD1-CE2 4.16Å; F520-Y620 HydrophobicContact CB-CD2 4.19Å; T521-Y620 WeakPolarHBondContact O-CA 3.42Å; T521-Y620 WeakPolarHBondContact O-CB 3.41Å; F592-Y620 WeakPolarHBondContact CZ-O 3.4Å; Y615-Y620 HydrophobicContact CE1-CE1 4.39Å; I616-Y620 HydrophobicContact CB-CD1 4.19Å; I616-Y620 HydrophobicContact CB-CE1 4.3Å; I616-Y620 HydrophobicContact CB-CG 4.43Å; I616-Y620 HydrophobicContact CG1-CD1 4.31Å; I616-Y620 HydrophobicContact CG1-CE1 3.89Å; I616-Y620 HydrophobicContact CG2-CD1 4.03Å; I616-Y620 HydrophobicContact CG2-CD2 3.81Å; I616-Y620 HydrophobicContact CG2-CE1 4.33Å; I616-Y620 HydrophobicContact CG2-CE2 4.12Å; I616-Y620 HydrophobicContact CG2-CG 3.77Å; I616-Y620 WeakPolarHBondContact O-CB 3.46Å; I616-Y620 PolarHBondContact O-N 3.22Å
621	F	98.8	Very high	98.2	Very high	30 Å²	30	36.4 Å²	36.4	13%	0.132	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	142.4	170.9	-70.6	-102.3	0	0	0	110	F520 T521 V526 I544 V545 N546 V623	F520-F621 CarbonylContact C-O 3.58Å; F520-F621 VanDerWaalsContact CA-O 3.28Å; F520-F621 WeakPolarHBondContact CA-O 3.43Å; T521-F621 PolarHBondContact N-O 2.87Å; T521-F621 PolarHBondContact O-N 3.15Å; V526-F621 HydrophobicContact CB-CD2 4.39Å; V526-F621 HydrophobicContact CG2-CB 3.64Å; V526-F621 HydrophobicContact CG2-CD2 3.86Å; V526-F621 HydrophobicContact CG2-CG 3.79Å; I544-F621 HydrophobicContact CG2-CB 3.97Å; I544-F621 HydrophobicContact CG2-CD1 3.6Å; I544-F621 HydrophobicContact CG2-CE1 4.43Å; I544-F621 HydrophobicContact CG2-CG 4.06Å; V545-F621 CarbonylContact O-C 3.57Å; V545-F621 WeakPolarHBondContact O-CA 3.35Å; N546-F621 HydrophobicContact CB-CD1 3.75Å; N546-F621 HydrophobicContact CB-CE1 3.69Å; N546-F621 HydrophobicContact CB-CG 4.25Å; N546-F621 HydrophobicContact CB-CZ 4.13Å; F621-V623 HydrophobicContact CB-CG2 4.42Å
622	L	98.8	Very high	98.2	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	129.2	163.5	-177	64.6	0	0	0	108.7	I486 E518 F520 I544 V545 F584 K588 A591 F592	I486-L622 HydrophobicContact CD1-CD1 3.79Å; E518-L622 HydrophobicContact CG-CD1 4.12Å; F520-L622 HydrophobicContact CD1-CB 4.11Å; F520-L622 HydrophobicContact CD1-CD1 4.18Å; F520-L622 HydrophobicContact CD2-CD1 4.14Å; F520-L622 HydrophobicContact CE1-CB 3.83Å; F520-L622 HydrophobicContact CE1-CD1 3.94Å; F520-L622 HydrophobicContact CE1-CG 4.36Å; F520-L622 HydrophobicContact CE2-CD1 3.9Å; F520-L622 HydrophobicContact CG-CD1 4.28Å; F520-L622 HydrophobicContact CZ-CB 4.43Å; F520-L622 HydrophobicContact CZ-CD1 3.8Å; F520-L622 HydrophobicContact CZ-CG 4.49Å; I544-L622 CarbonylContact C-O 3.56Å; I544-L622 WeakPolarHBondContact CA-O 3.34Å; V545-L622 HydrophobicContact CG1-CB 4.2Å; V545-L622 PolarHBondContact N-O 3.42Å; V545-L622 PolarHBondContact O-N 3.07Å; F584-L622 HydrophobicContact CE2-CD2 3.82Å; F584-L622 HydrophobicContact CE2-CG 4.15Å; F584-L622 HydrophobicContact CZ-CD2 3.77Å; F584-L622 HydrophobicContact CZ-CG 3.73Å; K588-L622 HydrophobicContact CB-CD2 3.97Å; A591-L622 HydrophobicContact CB-CD2 3.9Å; F592-L622 HydrophobicContact CE2-CB 3.86Å; F592-L622 HydrophobicContact CZ-CB 4.21Å
623	V	98.8	Very high	98	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	134.4	-175.7	-178.3	0	0	0	0	109.1	E518 F519 T521 V526 L529 H543 I544 F621 L625	E518-V623 CarbonylContact C-O 3.47Å; E518-V623 VanDerWaalsContact CA-O 3.23Å; E518-V623 WeakPolarHBondContact CA-O 3.4Å; F519-V623 HydrophobicContact CD1-CB 4.44Å; F519-V623 HydrophobicContact CD2-CB 4.17Å; F519-V623 HydrophobicContact CD2-CG2 4.45Å; F519-V623 HydrophobicContact CE1-CB 4.1Å; F519-V623 HydrophobicContact CE1-CG1 3.94Å; F519-V623 HydrophobicContact CE2-CB 3.81Å; F519-V623 HydrophobicContact CE2-CG1 4.2Å; F519-V623 HydrophobicContact CE2-CG2 3.97Å; F519-V623 HydrophobicContact CG-CB 4.5Å; F519-V623 HydrophobicContact CZ-CB 3.78Å; F519-V623 HydrophobicContact CZ-CG1 3.67Å; F519-V623 HydrophobicContact CZ-CG2 4.3Å; F519-V623 PolarHBondContact N-O 2.91Å; F519-V623 PolarHBondContact O-N 3.46Å; T521-V623 HydrophobicContact CG2-CG2 4.11Å; V526-V623 HydrophobicContact CG2-CG2 4.33Å; L529-V623 HydrophobicContact CD2-CG1 4.12Å; H543-V623 WeakPolarHBondContact O-CA 3.35Å; I544-V623 HydrophobicContact CB-CG2 4.42Å; I544-V623 HydrophobicContact CG1-CB 4.37Å; I544-V623 HydrophobicContact CG1-CG1 3.86Å; I544-V623 HydrophobicContact CG1-CG2 3.97Å; I544-V623 HydrophobicContact CG2-CG2 4.11Å; F621-V623 HydrophobicContact CB-CG2 4.42Å; V623-L625 HydrophobicContact CG1-CD2 4Å; V623-L625 HydrophobicContact CG1-CG 4.1Å
624	N	98.6	Very high	98	Very high	4 Å²	4	42 Å²	42	2%	0.021	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	141.6	161.2	76.1	76	0	0	0	111.6	Y516 L517 E518 Y542 H543 F584	Y516-N624 HydrophobicContact CE2-CB 3.78Å; Y516-N624 WeakPolarHBondContact OH-CB 3.29Å; L517-N624 CarbonylContact O-C 3.51Å; L517-N624 WeakPolarHBondContact O-CA 3.34Å; E518-N624 HydrophobicContact CB-CB 4.37Å; E518-N624 HydrophobicContact CG-CB 4.24Å; Y542-N624 WeakPolarHBondContact CA-O 3.33Å; H543-N624 PolarHBondContact N-O 3.11Å; H543-N624 PolarHBondContact O-N 3.39Å; F584-N624 WeakPolarHBondContact CD2-ND2 3.36Å; F584-N624 VanDerWaalsContact CE1-ND2 3.34Å; F584-N624 WeakPolarHBondContact CE1-ND2 3.41Å; F584-N624 HydrophobicContact CE2-CB 4.19Å; F584-N624 WeakPolarHBondContact CE2-ND2 3.46Å; F584-N624 HydrophobicContact CZ-CB 4.21Å; F584-N624 WeakPolarHBondContact CZ-ND2 3.5Å
625	L	98.7	Very high	98	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	139	179.8	-57.1	179.4	0	0	0	110.3	Y516 L517 F519 L533 V540 N541 Y542 V623 L636 I640	Y516-L625 WeakPolarHBondContact CA-O 3.2Å; Y516-L625 WeakPolarHBondContact CD2-O 2.88Å; L517-L625 PolarHBondContact N-O 3.22Å; L517-L625 PolarHBondContact O-N 3.19Å; F519-L625 HydrophobicContact CE1-CD1 3.97Å; F519-L625 HydrophobicContact CE1-CG 4.26Å; F519-L625 HydrophobicContact CZ-CD1 4.33Å; L533-L625 HydrophobicContact CD2-CD2 4.24Å; V540-L625 HydrophobicContact CG1-CD2 4.36Å; N541-L625 CarbonylContact O-C 3.47Å; N541-L625 WeakPolarHBondContact O-CA 3.15Å; Y542-L625 VanDerWaalsContact CB-CD2 3.48Å; V623-L625 HydrophobicContact CG1-CD2 4Å; V623-L625 HydrophobicContact CG1-CG 4.1Å; L625-L636 HydrophobicContact CB-CD2 3.95Å; L625-I640 HydrophobicContact CD1-CD1 4.38Å
626	V	98.8	Very high	98	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.006	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	126.8	174.3	179.1	0	0	0	0	109.4	K514 A515 Y516 V540 N541 V563 V579	K514-V626 HydrophobicContact CB-CG1 4.05Å; K514-V626 HydrophobicContact CD-CG1 3.91Å; A515-V626 WeakPolarHBondContact O-CA 3.38Å; Y516-V626 HydrophobicContact CD2-CG2 3.9Å; Y516-V626 HydrophobicContact CE2-CG2 4.43Å; V540-V626 WeakPolarHBondContact CA-O 3.44Å; N541-V626 HydrophobicContact CB-CB 4.32Å; N541-V626 PolarHBondContact N-O 3.41Å; N541-V626 PolarHBondContact O-N 3.2Å; V563-V626 HydrophobicContact CG1-CG1 3.9Å; V563-V626 HydrophobicContact CG1-CG2 4.08Å; V579-V626 HydrophobicContact CB-CG2 4.25Å; V579-V626 HydrophobicContact CG1-CG2 4.33Å; V579-V626 HydrophobicContact CG2-CG2 3.79Å
627	D	98.6	Very high	97.9	Very high	2 Å²	2	35.1 Å²	35.1	1%	0.011	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	116.3	166.5	-176.3	1.1	0	0	0	109.7	K514 A515 R539 D629 S634 C635 L636	K514-D627 WeakPolarHBondContact CB-O 3.45Å; A515-D627 HydrophobicContact CB-CB 4.23Å; A515-D627 PolarHBondContact O-N 3.33Å; A515-D627 VanDerWaalsContact O-N 3.07Å; R539-D627 WeakPolarHBondContact CG-OD1 3.29Å; R539-D627 IonicContact CZ-OD1 3.99Å; R539-D627 IonicContact CZ-OD2 3.94Å; R539-D627 IonicContact NE-OD1 3.55Å; R539-D627 PolarHBondContact NE-OD1 3.35Å; R539-D627 IonicContact NE-OD2 3.66Å; R539-D627 PolarHBondContact NE-OD2 3.06Å; R539-D627 IonicContact NH2-OD1 3.75Å; R539-D627 IonicContact NH2-OD2 3.64Å; R539-D627 PolarHBondContact NH2-OD2 2.87Å; D627-D629 VanDerWaalsContact C-N 3.35Å; D627-D629 PolarHBondContact OD1-N 3.37Å; D627-S634 WeakPolarHBondContact OD2-CA 3.49Å; D627-C635 PolarHBondContact OD2-N 3.28Å; D627-L636 HydrophobicContact CB-CD2 3.97Å; D627-L636 HydrophobicContact CB-CG 4.02Å
628	N	98.1	Very high	97.9	Very high	32 Å²	32	38.3 Å²	38.3	17%	0.171	20%	0.195	C	C	.	.	S	Bend	trans	-75.3	-22.6	-177.4	-71.7	-64.8	0	0	0	114	K514 R539 N541 N561 F630	K514-N628 PolarHBondContact NZ-OD1 3.16Å; R539-N628 WeakPolarHBondContact O-CB 3.25Å; R539-N628 PolarHBondContact O-N 3.39Å; R539-N628 PolarHBondContact O-ND2 2.86Å; N541-N628 PolarHBondContact OD1-ND2 2.87Å; N541-N628 PolarHBondContact OD1-OD1 2.93Å; N561-N628 PolarHBondContact ND2-OD1 2.87Å; N628-F630 VanDerWaalsContact C-N 3.27Å; N628-F630 PolarHBondContact O-N 2.96Å
629	D	97.9	Very high	97.9	Very high	64 Å²	64	34.8 Å²	34.8	34%	0.342	18%	0.176	S	C	.	.			trans	-87.4	62.2	-174.8	-70.7	-23.8	0	0	0	111.5	R539 D627 P631 L632	R539-D629 VanDerWaalsContact CD-OD2 3.24Å; R539-D629 WeakPolarHBondContact CD-OD2 3.29Å; R539-D629 HydrophobicContact CG-CB 4.41Å; R539-D629 WeakPolarHBondContact CG-OD2 3.34Å; R539-D629 IonicContact CZ-OD2 4Å; R539-D629 IonicContact NE-OD2 2.77Å; R539-D629 PolarHBondContact NE-OD2 3.33Å; D627-D629 VanDerWaalsContact C-N 3.35Å; D627-D629 PolarHBondContact OD1-N 3.37Å; D629-P631 VanDerWaalsContact C-N 3.25Å; D629-P631 WeakPolarHBondContact O-CD 3.2Å; D629-P631 VanDerWaalsContact O-N 3.07Å; D629-L632 HydrophobicContact CB-CB 4.41Å; D629-L632 HydrophobicContact CB-CD1 4.02Å; D629-L632 HydrophobicContact CB-CG 4.26Å; D629-L632 PolarHBondContact O-N 3.29Å
630	F	96.9	Very high	97.9	Very high	50 Å²	50	31.3 Å²	31.3	22%	0.219	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.6	-26.4	179.7	69.4	-87.1	0	0	0	116.5	N491 F512 Q513 K514 W565 N628 L632	N491-F630 PolarHBondContact ND2-O 3.32Å; F512-F630 HydrophobicContact CD1-CD2 4.34Å; F512-F630 AromaticContact CD1-CE2 3.94Å; F512-F630 HydrophobicContact CD1-CE2 3.94Å; F512-F630 HydrophobicContact CE1-CE2 4.43Å; Q513-F630 WeakPolarHBondContact O-CB 3.49Å; K514-F630 HydrophobicContact CG-CB 4.22Å; W565-F630 AromaticContact CH2-CD1 3.66Å; W565-F630 HydrophobicContact CH2-CD1 3.66Å; W565-F630 HydrophobicContact CH2-CD2 4.34Å; W565-F630 AromaticContact CH2-CE1 3.84Å; W565-F630 HydrophobicContact CH2-CE1 3.84Å; W565-F630 HydrophobicContact CH2-CE2 4.49Å; W565-F630 AromaticContact CH2-CG 3.93Å; W565-F630 HydrophobicContact CH2-CG 3.93Å; W565-F630 HydrophobicContact CH2-CZ 4.26Å; W565-F630 HydrophobicContact CZ2-CD1 4.11Å; W565-F630 HydrophobicContact CZ2-CD2 4.34Å; W565-F630 AromaticContact CZ2-CE1 3.86Å; W565-F630 HydrophobicContact CZ2-CE1 3.86Å; W565-F630 HydrophobicContact CZ2-CE2 4.1Å; W565-F630 HydrophobicContact CZ2-CG 4.35Å; W565-F630 AromaticContact CZ2-CZ 3.86Å; W565-F630 HydrophobicContact CZ2-CZ 3.86Å; N628-F630 VanDerWaalsContact C-N 3.27Å; N628-F630 PolarHBondContact O-N 2.96Å; F630-L632 VanDerWaalsContact C-N 3.29Å; F630-L632 PolarHBondContact O-N 3.39Å
631	P	97.8	Very high	97.9	Very high	71 Å²	71	33.1 Å²	33.1	46%	0.461	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-19.1	175.2	-19	34.6	0	0	0	114.4	D629	D629-P631 VanDerWaalsContact C-N 3.25Å; D629-P631 WeakPolarHBondContact O-CD 3.2Å; D629-P631 VanDerWaalsContact O-N 3.07Å
632	L	97.1	Very high	97.9	Very high	93 Å²	93	33.4 Å²	33.4	49%	0.487	17%	0.17	S	C	.	.	S	Bend	trans	-95.5	169.7	-178.2	-57.9	-177.3	0	0	0	111	N491 D629 F630	N491-L632 PolarHBondContact ND2-O 2.85Å; D629-L632 HydrophobicContact CB-CB 4.41Å; D629-L632 HydrophobicContact CB-CD1 4.02Å; D629-L632 HydrophobicContact CB-CG 4.26Å; D629-L632 PolarHBondContact O-N 3.29Å; F630-L632 VanDerWaalsContact C-N 3.29Å; F630-L632 PolarHBondContact O-N 3.39Å
633	E	95.3	Very high	97.8	Very high	160 Å²	160	33.4 Å²	33.4	75%	0.748	17%	0.17	S	C	*	.	P	Polyproline II helix	trans	-63.3	138.8	166.9	-172.6	173.8	-171.8	0	0	110.2	R539 C635	R539-E633 PolarHBondContact NH2-O 3.13Å; E633-C635 PolarHBondContact O-N 3.18Å
634	S	96.6	Very high	97.8	Very high	9 Å²	9	33.7 Å²	33.7	6%	0.063	17%	0.171	C	C	.	.	P	Polyproline II helix	trans	-57.6	125.5	-178.3	177.5	0	0	0	0	111.2	A515 D627 L636	A515-S634 WeakPolarHBondContact CB-OG 3.28Å; D627-S634 WeakPolarHBondContact OD2-CA 3.49Å; S634-L636 VanDerWaalsContact C-N 3.31Å; S634-L636 PolarHBondContact OG-N 3.02Å
635	C	97.8	Very high	97.7	Very high	6 Å²	6	39.5 Å²	39.5	4%	0.041	20%	0.198	C	C	.	.			trans	-83.8	-6.3	174.8	71.5	0	0	0	0	113.3	Y536 R539 V540 D627 E633 W637 H638 V639	Y536-C635 HydrophobicContact CD1-CB 4.37Å; Y536-C635 HydrophobicContact CE1-CB 4.21Å; R539-C635 PolarHBondContact NE-SG 3.28Å; R539-C635 VanDerWaalsContact NE-SG 3.42Å; V540-C635 VanDerWaalsContact CG2-SG 3.51Å; D627-C635 PolarHBondContact OD2-N 3.28Å; E633-C635 PolarHBondContact O-N 3.18Å; C635-W637 PolarHBondContact O-N 3.28Å; C635-H638 WeakPolarHBondContact O-CB 3.2Å; C635-H638 PolarHBondContact O-N 3.14Å; C635-H638 VanDerWaalsContact O-N 3.07Å; C635-V639 WeakPolarHBondContact O-CG2 3.26Å; C635-V639 PolarHBondContact O-N 3.29Å
636	L	98.1	Very high	97.5	Very high	3 Å²	3	42 Å²	42	2%	0.016	21%	0.211	C	C	.	.	H	α-helix	trans	-59.1	-36	-173.2	-61.1	-173.1	0	0	0	112.5	A515 L517 V540 L625 D627 S634 V639 I640	A515-L636 HydrophobicContact CB-CD1 4.01Å; L517-L636 HydrophobicContact CB-CD1 3.93Å; V540-L636 HydrophobicContact CG1-CD2 4.34Å; V540-L636 HydrophobicContact CG2-CD2 4.37Å; L625-L636 HydrophobicContact CB-CD2 3.95Å; D627-L636 HydrophobicContact CB-CD2 3.97Å; D627-L636 HydrophobicContact CB-CG 4.02Å; S634-L636 VanDerWaalsContact C-N 3.31Å; S634-L636 PolarHBondContact OG-N 3.02Å; L636-V639 WeakPolarHBondContact O-CB 3.39Å; L636-V639 PolarHBondContact O-N 3.25Å; L636-I640 WeakPolarHBondContact O-CG1 3.47Å; L636-I640 PolarHBondContact O-N 3.28Å
637	W	97.5	Very high	97.3	Very high	31 Å²	31	44.2 Å²	44.2	12%	0.117	22%	0.223	C	C	.	.	H	α-helix	trans	-68.5	-39.1	177.5	-49.1	125.5	0	0	0	112.3	L471 E474 L475 V478 L517 C635 V639 I640 D641	L471-W637 HydrophobicContact CB-CZ2 4.1Å; L471-W637 HydrophobicContact CD1-CZ2 4.34Å; L471-W637 HydrophobicContact CD2-CZ2 4.04Å; L471-W637 HydrophobicContact CG-CZ2 4.38Å; E474-W637 HydrophobicContact CB-CD2 3.6Å; E474-W637 HydrophobicContact CB-CE3 3.77Å; E474-W637 HydrophobicContact CB-CG 4.17Å; E474-W637 HydrophobicContact CB-CH2 4.01Å; E474-W637 HydrophobicContact CB-CZ2 3.84Å; E474-W637 HydrophobicContact CB-CZ3 3.97Å; E474-W637 HydrophobicContact CG-CD2 3.97Å; E474-W637 HydrophobicContact CG-CG 4Å; L475-W637 HydrophobicContact CD2-CH2 3.8Å; L475-W637 HydrophobicContact CD2-CZ3 4.42Å; L475-W637 HydrophobicContact CG-CH2 4.12Å; V478-W637 HydrophobicContact CG1-CE3 4.24Å; V478-W637 HydrophobicContact CG1-CZ3 4.29Å; V478-W637 HydrophobicContact CG2-CZ3 4.35Å; L517-W637 HydrophobicContact CD1-CH2 3.86Å; L517-W637 HydrophobicContact CD1-CZ3 4.09Å; L517-W637 HydrophobicContact CD2-CH2 4.38Å; L517-W637 HydrophobicContact CD2-CZ3 3.86Å; C635-W637 PolarHBondContact O-N 3.28Å; W637-V639 VanDerWaalsContact C-N 3.33Å; W637-V639 PolarHBondContact O-N 3.47Å; W637-I640 PolarHBondContact O-N 3.41Å; W637-D641 PolarHBondContact O-N 3.29Å
638	H	97.8	Very high	97	Very high	97 Å²	97	49.2 Å²	49.2	45%	0.449	25%	0.25	S	C	.	.	H	α-helix	trans	-63.7	-37.2	173.7	-61	96.1	0	0	0	112.1	C635 I640 D641 D642	C635-H638 WeakPolarHBondContact O-CB 3.2Å; C635-H638 PolarHBondContact O-N 3.14Å; C635-H638 VanDerWaalsContact O-N 3.07Å; H638-I640 VanDerWaalsContact C-N 3.31Å; H638-I640 PolarHBondContact O-N 2.88Å; H638-D641 PolarHBondContact O-N 3.37Å; H638-D642 WeakPolarHBondContact O-CB 3.32Å; H638-D642 PolarHBondContact O-N 2.73Å
639	V	98.2	Very high	96.4	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-59.7	-43.7	174.2	176.7	0	0	0	0	110.9	L529 V532 L533 Y536 V540 C635 L636 W637 M643	L529-V639 HydrophobicContact CD1-CG1 3.63Å; V532-V639 HydrophobicContact CG1-CG1 4.25Å; L533-V639 HydrophobicContact CD2-CG1 3.96Å; Y536-V639 HydrophobicContact CD1-CG2 3.63Å; Y536-V639 HydrophobicContact CD2-CG2 3.84Å; Y536-V639 HydrophobicContact CE1-CG2 3.69Å; Y536-V639 HydrophobicContact CE2-CG2 3.92Å; Y536-V639 HydrophobicContact CG-CG2 3.71Å; V540-V639 HydrophobicContact CG2-CG2 4.28Å; C635-V639 WeakPolarHBondContact O-CG2 3.26Å; C635-V639 PolarHBondContact O-N 3.29Å; L636-V639 WeakPolarHBondContact O-CB 3.39Å; L636-V639 PolarHBondContact O-N 3.25Å; W637-V639 VanDerWaalsContact C-N 3.33Å; W637-V639 PolarHBondContact O-N 3.47Å; V639-M643 PolarHBondContact O-N 3.05Å; V639-M643 VanDerWaalsContact O-N 3.15Å
640	I	98.2	Very high	94.9	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-72.3	-38.9	180	-60.7	-59.8	0	0	0	111.3	V478 V483 L517 F519 L529 L625 L636 W637 H638 M643 F644	V478-I640 HydrophobicContact CB-CG2 4.23Å; V478-I640 HydrophobicContact CG1-CB 4.31Å; V478-I640 HydrophobicContact CG1-CG2 3.61Å; V483-I640 HydrophobicContact CG2-CG2 4.23Å; L517-I640 HydrophobicContact CD2-CG1 4.4Å; F519-I640 HydrophobicContact CE1-CD1 4.24Å; F519-I640 HydrophobicContact CZ-CD1 3.95Å; L529-I640 HydrophobicContact CD1-CD1 4.43Å; L625-I640 HydrophobicContact CD1-CD1 4.38Å; L636-I640 WeakPolarHBondContact O-CG1 3.47Å; L636-I640 PolarHBondContact O-N 3.28Å; W637-I640 PolarHBondContact O-N 3.41Å; H638-I640 VanDerWaalsContact C-N 3.31Å; H638-I640 PolarHBondContact O-N 2.88Å; I640-M643 HydrophobicContact CD1-CE 4.5Å; I640-M643 HydrophobicContact CG2-CE 4.15Å; I640-M643 WeakPolarHBondContact O-CB 3.46Å; I640-M643 PolarHBondContact O-N 3.49Å; I640-F644 HydrophobicContact CG2-CD2 3.91Å; I640-F644 HydrophobicContact CG2-CE2 3.38Å; I640-F644 HydrophobicContact CG2-CZ 3.74Å; I640-F644 WeakPolarHBondContact O-CD2 3.35Å; I640-F644 WeakPolarHBondContact O-CG 3.49Å; I640-F644 PolarHBondContact O-N 3.39Å
641	D	97.7	Very high	92.7	Very high	42 Å²	42	55.3 Å²	55.3	23%	0.225	30%	0.3	C	S	.	.	H	α-helix	trans	-63.7	-46.4	175.8	-74.4	-16.1	0	0	0	111.8	K477 W637 H638 M643 F644 E645	K477-D641 WeakPolarHBondContact CE-OD1 3.38Å; K477-D641 IonicContact NZ-OD1 3.35Å; K477-D641 PolarHBondContact NZ-OD1 3.39Å; K477-D641 IonicContact NZ-OD2 3.47Å; K477-D641 PolarHBondContact NZ-OD2 3.11Å; W637-D641 PolarHBondContact O-N 3.29Å; H638-D641 PolarHBondContact O-N 3.37Å; D641-M643 PolarHBondContact O-N 3.4Å; D641-F644 WeakPolarHBondContact O-CB 3.43Å; D641-F644 PolarHBondContact O-N 3.1Å; D641-F644 VanDerWaalsContact O-N 3.09Å; D641-E645 WeakPolarHBondContact O-CG 3.35Å; D641-E645 PolarHBondContact O-N 3.3Å
642	D	97.9	Very high	90.2	Very high	37 Å²	37	61.2 Å²	61.2	20%	0.198	32%	0.321	C	S	.	.	H	α-helix	trans	-58.8	-36.2	174.3	-82.9	-8.9	0	0	0	112.1	V532 Y536 H638 L646	V532-D642 HydrophobicContact CB-CB 4.44Å; V532-D642 HydrophobicContact CG1-CB 3.5Å; V532-D642 VanDerWaalsContact CG1-CB 3.5Å; V532-D642 HydrophobicContact CG2-CB 4.03Å; Y536-D642 VanDerWaalsContact CE2-OD2 3.31Å; Y536-D642 WeakPolarHBondContact CE2-OD2 3.09Å; Y536-D642 PolarHBondContact OH-OD2 2.99Å; H638-D642 WeakPolarHBondContact O-CB 3.32Å; H638-D642 PolarHBondContact O-N 2.73Å; D642-L646 WeakPolarHBondContact O-CB 3.15Å; D642-L646 PolarHBondContact O-N 3.48Å
643	M	98.1	Very high	87.7	Confident	0 Å²	0	62 Å²	62	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-64.7	-45.9	175.4	175.8	-165.3	75.2	0	0	110.4	V483 N525 A528 L529 V532 V639 I640 D641 L646 L647	V483-M643 HydrophobicContact CG2-CE 3.85Å; N525-M643 HydrophobicContact CB-CE 4.36Å; N525-M643 HydrophobicContact CB-SD 4.08Å; N525-M643 VanDerWaalsContact O-SD 3.41Å; A528-M643 HydrophobicContact CB-CG 3.83Å; L529-M643 HydrophobicContact CB-CG 4.18Å; L529-M643 HydrophobicContact CB-SD 3.72Å; L529-M643 HydrophobicContact CD1-CB 4.44Å; L529-M643 HydrophobicContact CD1-SD 4.09Å; L529-M643 HydrophobicContact CG-SD 4.33Å; V532-M643 HydrophobicContact CG2-CB 4.42Å; V639-M643 PolarHBondContact O-N 3.05Å; V639-M643 VanDerWaalsContact O-N 3.15Å; I640-M643 HydrophobicContact CD1-CE 4.5Å; I640-M643 HydrophobicContact CG2-CE 4.15Å; I640-M643 WeakPolarHBondContact O-CB 3.46Å; I640-M643 PolarHBondContact O-N 3.49Å; D641-M643 PolarHBondContact O-N 3.4Å; M643-L646 PolarHBondContact O-N 2.84Å; M643-L647 HydrophobicContact CG-CD1 4.24Å; M643-L647 WeakPolarHBondContact O-CG 3.28Å; M643-L647 PolarHBondContact O-N 3.43Å; M643-L647 VanDerWaalsContact O-N 3.08Å
644	F	97.5	Very high	84.9	Confident	5 Å²	5	62.7 Å²	62.7	2%	0.022	34%	0.34	C	S	.	.	H	α-helix	trans	-64.4	-43.1	176.7	-72.6	-32.7	0	0	0	112.7	R481 V483 I640 D641 L646 L647 D648	R481-F644 HydrophobicContact CB-CD1 4.45Å; R481-F644 HydrophobicContact CB-CE1 3.63Å; R481-F644 HydrophobicContact CB-CE2 3.92Å; R481-F644 HydrophobicContact CB-CZ 3.33Å; R481-F644 HydrophobicContact CG-CE2 4.37Å; R481-F644 HydrophobicContact CG-CZ 4.23Å; R481-F644 VanDerWaalsContact CZ-CG 3.45Å; V483-F644 HydrophobicContact CG2-CE1 4.12Å; V483-F644 HydrophobicContact CG2-CZ 3.71Å; I640-F644 HydrophobicContact CG2-CD2 3.91Å; I640-F644 HydrophobicContact CG2-CE2 3.38Å; I640-F644 HydrophobicContact CG2-CZ 3.74Å; I640-F644 WeakPolarHBondContact O-CD2 3.35Å; I640-F644 WeakPolarHBondContact O-CG 3.49Å; I640-F644 PolarHBondContact O-N 3.39Å; D641-F644 WeakPolarHBondContact O-CB 3.43Å; D641-F644 PolarHBondContact O-N 3.1Å; D641-F644 VanDerWaalsContact O-N 3.09Å; F644-L646 VanDerWaalsContact C-N 3.28Å; F644-L646 PolarHBondContact O-N 2.93Å; F644-L647 HydrophobicContact CD1-CD1 4.38Å; F644-L647 PolarHBondContact O-N 3.2Å; F644-D648 WeakPolarHBondContact O-CB 3.45Å; F644-D648 PolarHBondContact O-N 2.63Å
645	E	96.9	Very high	82.1	Confident	126 Å²	126	68.7 Å²	68.7	59%	0.589	38%	0.376	S	S	*	.	H	α-helix	trans	-59.5	-39.7	174.6	-72.1	-176.8	-178.6	0	0	111.9	D641 D648 S649	D641-E645 WeakPolarHBondContact O-CG 3.35Å; D641-E645 PolarHBondContact O-N 3.3Å; E645-D648 PolarHBondContact O-N 2.93Å; E645-S649 WeakPolarHBondContact O-CB 3.42Å; E645-S649 PolarHBondContact O-N 3.46Å; E645-S649 PolarHBondContact O-OG 2.86Å
646	L	95.7	Very high	79.6	Confident	52 Å²	52	75.9 Å²	75.9	27%	0.272	41%	0.414	S	S	.	.	H	α-helix	trans	-65.6	-38.5	176.6	-176	60.3	0	0	0	112.3	A528 K531 V532 D642 M643 F644 S649 T650	A528-L646 HydrophobicContact CB-CD2 4.16Å; K531-L646 HydrophobicContact CB-CD2 3.9Å; K531-L646 HydrophobicContact CD-CD2 3.9Å; V532-L646 HydrophobicContact CG2-CD2 4.17Å; D642-L646 WeakPolarHBondContact O-CB 3.15Å; D642-L646 PolarHBondContact O-N 3.48Å; M643-L646 PolarHBondContact O-N 2.84Å; F644-L646 VanDerWaalsContact C-N 3.28Å; F644-L646 PolarHBondContact O-N 2.93Å; L646-S649 WeakPolarHBondContact CA-OG 3.5Å; L646-S649 PolarHBondContact O-OG 2.73Å; L646-S649 VanDerWaalsContact O-OG 3.09Å; L646-T650 PolarHBondContact O-N 2.98Å; L646-T650 PolarHBondContact O-OG1 3.2Å
647	L	93.7	Very high	76.7	Confident	48 Å²	48	84.9 Å²	84.9	25%	0.251	46%	0.456	S	S	.	.	H	α-helix	trans	-68	-46.5	175.6	-70.8	163.1	0	0	0	111.3	N525 A528 M643 F644 S649 T650	N525-L647 WeakPolarHBondContact OD1-CD1 3.17Å; A528-L647 HydrophobicContact CB-CD1 4.22Å; A528-L647 HydrophobicContact CB-CD2 3.79Å; A528-L647 HydrophobicContact CB-CG 3.72Å; M643-L647 HydrophobicContact CG-CD1 4.24Å; M643-L647 WeakPolarHBondContact O-CG 3.28Å; M643-L647 PolarHBondContact O-N 3.43Å; M643-L647 VanDerWaalsContact O-N 3.08Å; F644-L647 HydrophobicContact CD1-CD1 4.38Å; F644-L647 PolarHBondContact O-N 3.2Å; L647-S649 PolarHBondContact O-N 3.15Å; L647-T650 PolarHBondContact O-N 3.06Å
648	D	92.7	Very high	73.9	Confident	108 Å²	108	88.5 Å²	88.5	58%	0.578	49%	0.493	S	S	*	.	H	α-helix	trans	-67.5	-26.6	-178.7	-64.2	-23.3	0	0	0	112.1	R481 F644 E645	R481-D648 IonicContact CZ-OD1 3.55Å; R481-D648 IonicContact CZ-OD2 3.46Å; R481-D648 IonicContact NH1-OD2 2.93Å; R481-D648 PolarHBondContact NH1-OD2 3.23Å; R481-D648 VanDerWaalsContact NH1-OD2 3.1Å; R481-D648 IonicContact NH2-OD1 3.84Å; R481-D648 PolarHBondContact NH2-OD1 2.98Å; R481-D648 IonicContact NH2-OD2 2.63Å; R481-D648 PolarHBondContact NH2-OD2 3.2Å; F644-D648 WeakPolarHBondContact O-CB 3.45Å; F644-D648 PolarHBondContact O-N 2.63Å; E645-D648 PolarHBondContact O-N 2.93Å
649	S	85.3	Confident	70.8	Confident	78 Å²	78	87.5 Å²	87.5	55%	0.545	51%	0.508	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-8.5	179.1	61.7	0	0	0	0	114.9	E645 L646 L647 P651	E645-S649 WeakPolarHBondContact O-CB 3.42Å; E645-S649 PolarHBondContact O-N 3.46Å; E645-S649 PolarHBondContact O-OG 2.86Å; L646-S649 WeakPolarHBondContact CA-OG 3.5Å; L646-S649 PolarHBondContact O-OG 2.73Å; L646-S649 VanDerWaalsContact O-OG 3.09Å; L647-S649 PolarHBondContact O-N 3.15Å; S649-P651 VanDerWaalsContact O-CD 3.25Å; S649-P651 WeakPolarHBondContact O-CD 3.41Å
650	T	66	Low	68	Low	91 Å²	91	93.6 Å²	93.6	56%	0.558	55%	0.551	S	S	*	*	S	Bend	trans	-87.5	104.7	175.4	-50	0	0	0	0	108	L646 L647	L646-T650 PolarHBondContact O-N 2.98Å; L646-T650 PolarHBondContact O-OG1 3.2Å; L647-T650 PolarHBondContact O-N 3.06Å
651	P	50.8	Low	65.2	Low	104 Å²	104	106.4 Å²	106.4	68%	0.675	61%	0.611	S	S	*	*			trans	-66.8	142.9	177.1	-7.2	24.2	0	0	0	108.4	S649 P653	S649-P651 VanDerWaalsContact O-CD 3.25Å; S649-P651 WeakPolarHBondContact O-CD 3.41Å; P651-P653 WeakPolarHBondContact O-CD 3.36Å
652	E	46.5	Very low	63.5	Low	196 Å²	196	109.7 Å²	109.7	92%	0.916	63%	0.63	S	S	*	*			trans	-56.6	134.9	157	-76.3	-175	155.3	0	0	108.6
653	P	43.8	Very low	61.7	Low	109 Å²	109	113.5 Å²	113.5	71%	0.708	65%	0.653	S	S	*	*			trans	-127.4	126.1	138.1	35	-24.1	0	0	0	109.1	P651	P651-P653 WeakPolarHBondContact O-CD 3.36Å
654	L	36.4	Very low	59.7	Low	175 Å²	175	119.8 Å²	119.8	92%	0.916	69%	0.69	S	S	*	*			trans	-165.6	69.1	131.6	-95.2	164.2	0	0	0	106.6	D656	L654-D656 PolarHBondContact O-N 3.48Å
655	T	37.2	Very low	57.5	Low	135 Å²	135	126.5 Å²	126.5	83%	0.828	73%	0.729	S	S	*	*			trans	-69.4	122	150.7	42.6	0	0	0	0	107.4	E657	T655-E657 PolarHBondContact O-N 3.39Å
656	D	45.8	Very low	55	Low	157 Å²	157	126.6 Å²	126.6	84%	0.84	74%	0.738	S	S	*	*			trans	-32.5	126.4	155.9	-76.4	-47.2	0	0	0	111.3	L654	L654-D656 PolarHBondContact O-N 3.48Å
657	E	36.6	Very low	52.3	Low	192 Å²	192	131.5 Å²	131.5	90%	0.897	77%	0.769	S	S	*	*				-176.3	142.7	124.6	-103.3	-176.6	-173.5	0	0	113.3	T655	T655-E657 PolarHBondContact O-N 3.39Å
658	A	38.7	Very low	49.3	Very low	106 Å²	106	137.5 Å²	137.5	88%	0.876	81%	0.806	S	S	*	*			trans	90.3	106.4	151.2	0	0	0	0	0	119.5
659	G	32.6	Very low	46	Very low	76 Å²	76	139.8 Å²	139.8	78%	0.784	82%	0.823	S	S	*	*			trans	-171.3	38	159.7	0	0	0	0	0	114.8	Q661	G659-Q661 PolarHBondContact O-N 3.22Å
660	S	39.7	Very low	42.7	Very low	128 Å²	128	144.9 Å²	144.9	90%	0.895	85%	0.846	S	S	*	*			trans	-67.9	107.2	160.7	-59.2	0	0	0	0	109.4
661	Q	38.8	Very low	40.6	Very low	270 Å²	270	149.8 Å²	149.8	100%	1.262	87%	0.872	S	S	*	*			trans	-165	0	138.1	-107.6	178.3	32.7	0	0	110.2	G659	G659-Q661 PolarHBondContact O-N 3.22Å

Retrieved 661 of 661 residues in 629.3 ms (Link to these results)

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