A0A3Q0KNN0_SCHMA Loading...

Probable glycerol kinase

AlphaFold DB (A0A5K4EPC1), UniProt , Accession A0A3Q0KNN0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 647 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	33.7	Very low	42.2	Very low	242 Å²	242	138.5 Å²	138.5	100%	1.192	71%	0.706	S	S	*	*				0	103.5	0	-71.4	-165	174.3	0	0	107.3
2	P	36.3	Very low	43.2	Very low	116 Å²	116	137.6 Å²	137.6	75%	0.753	69%	0.694	S	S	*	*			trans	-96.3	152	-166.5	34.9	-28.3	0	0	0	113
3	N	36.9	Very low	44.4	Very low	136 Å²	136	134.4 Å²	134.4	73%	0.727	68%	0.678	S	S	*	*			trans	93.1	50.3	162	-58	-10.4	0	0	0	119.8
4	Y	36.7	Very low	45.8	Very low	220 Å²	220	130.1 Å²	130.1	86%	0.863	67%	0.667	S	S	*	*			trans	-120.3	20.9	162.2	-91.8	-76.3	0	0	0	115
5	L	35.5	Very low	46.6	Very low	141 Å²	141	129.8 Å²	129.8	74%	0.738	66%	0.662	S	S	*	*	S	Bend	trans	-105.7	2.5	-179.9	-91.3	157.5	0	0	0	115.4
6	F	39.7	Very low	47.3	Very low	160 Å²	160	126 Å²	126	70%	0.702	64%	0.642	S	S	*	*	S	Bend	trans	-101.6	-7.4	-179.3	-80.6	-74.9	0	0	0	115.5	V10	F6-V10 WeakPolarHBondContact O-CG2 3.44Å
7	S	46.2	Very low	48.3	Very low	68 Å²	68	124.8 Å²	124.8	48%	0.476	64%	0.636	S	S	.	*	H	α-helix	trans	-83.7	-36.3	179.9	63.6	0	0	0	0	113.1	E11	S7-E11 PolarHBondContact O-N 3.27Å
8	T	45.8	Very low	48.6	Very low	82 Å²	82	124.7 Å²	124.7	50%	0.503	63%	0.633	S	S	.	*	H	α-helix	trans	-73.8	-32.8	-175.3	46.3	0	0	0	0	113.2	F12	T8-F12 WeakPolarHBondContact O-CB 3.2Å; T8-F12 PolarHBondContact O-N 2.85Å; T8-F12 VanDerWaalsContact O-N 3.14Å
9	E	46.1	Very low	48.7	Very low	122 Å²	122	123.2 Å²	123.2	57%	0.57	63%	0.625	S	S	*	*	H	α-helix	trans	-72.2	-34.5	177.6	-72.4	-174.7	165	0	0	112.2	I13	E9-I13 WeakPolarHBondContact O-CB 3.27Å; E9-I13 WeakPolarHBondContact O-CD1 3.3Å; E9-I13 WeakPolarHBondContact O-CG1 3.37Å; E9-I13 PolarHBondContact O-N 2.68Å
10	V	56.7	Low	48.4	Very low	98 Å²	98	122.2 Å²	122.2	59%	0.594	62%	0.621	S	S	*	*	H	α-helix	trans	-71.7	-40.5	178.7	178.2	0	0	0	0	111.4	F6 I13 S14	F6-V10 WeakPolarHBondContact O-CG2 3.44Å; V10-I13 PolarHBondContact O-N 2.74Å; V10-S14 WeakPolarHBondContact O-CB 3.41Å; V10-S14 PolarHBondContact O-N 2.77Å
11	E	50.6	Low	48.2	Very low	138 Å²	138	123.8 Å²	123.8	65%	0.645	62%	0.621	S	S	*	*	H	α-helix	trans	-63.7	-42.8	173.9	-78.6	179.7	163.5	0	0	111.5	S7 I13 S14 E15	S7-E11 PolarHBondContact O-N 3.27Å; E11-I13 PolarHBondContact O-N 2.74Å; E11-S14 PolarHBondContact O-N 3.44Å; E11-E15 PolarHBondContact O-N 3.13Å
12	F	54.1	Low	48.7	Very low	128 Å²	128	115.1 Å²	115.1	56%	0.561	58%	0.581	S	S	*	*	H	α-helix	trans	-66.2	-38.8	178.5	-165.8	-108.3	0	0	0	112.6	T8 E15 I16	T8-F12 WeakPolarHBondContact O-CB 3.2Å; T8-F12 PolarHBondContact O-N 2.85Å; T8-F12 VanDerWaalsContact O-N 3.14Å; F12-E15 PolarHBondContact O-N 3.01Å; F12-I16 HydrophobicContact CD1-CD1 3.66Å; F12-I16 HydrophobicContact CE1-CD1 3.36Å; F12-I16 HydrophobicContact CE1-CG1 4.34Å; F12-I16 HydrophobicContact CZ-CD1 3.97Å; F12-I16 WeakPolarHBondContact O-CG1 3.27Å; F12-I16 PolarHBondContact O-N 3.26Å
13	I	59.1	Low	48.7	Very low	96 Å²	96	115.5 Å²	115.5	49%	0.492	57%	0.574	S	S	.	*	H	α-helix	trans	-67.3	-39	174	-69.4	167.7	0	0	0	110.7	E9 V10 E11 I16 I17	E9-I13 WeakPolarHBondContact O-CB 3.27Å; E9-I13 WeakPolarHBondContact O-CD1 3.3Å; E9-I13 WeakPolarHBondContact O-CG1 3.37Å; E9-I13 PolarHBondContact O-N 2.68Å; V10-I13 PolarHBondContact O-N 2.74Å; E11-I13 PolarHBondContact O-N 2.74Å; I13-I16 PolarHBondContact O-N 2.85Å; I13-I17 HydrophobicContact CG2-CD1 3.74Å; I13-I17 HydrophobicContact CG2-CG1 4.27Å; I13-I17 WeakPolarHBondContact O-CB 3.44Å; I13-I17 VanDerWaalsContact O-CG1 3.27Å; I13-I17 WeakPolarHBondContact O-CG1 3.45Å; I13-I17 PolarHBondContact O-N 2.86Å
14	S	63.7	Low	48.8	Very low	75 Å²	75	112.1 Å²	112.1	52%	0.524	57%	0.566	S	S	.	*	H	α-helix	trans	-64.1	-41.7	176.1	-170.9	0	0	0	0	111.9	V10 E11 I17 H18	V10-S14 WeakPolarHBondContact O-CB 3.41Å; V10-S14 PolarHBondContact O-N 2.77Å; E11-S14 PolarHBondContact O-N 3.44Å; S14-I17 PolarHBondContact O-N 3.33Å; S14-H18 WeakPolarHBondContact O-CB 3.42Å; S14-H18 PolarHBondContact O-N 2.95Å
15	E	57.5	Low	49	Very low	125 Å²	125	105.7 Å²	105.7	58%	0.584	55%	0.549	S	S	*	.	H	α-helix	trans	-62.8	-44.6	173	-91.8	-172.1	153.2	0	0	111.6	E11 F12 I17 H18 I19	E11-E15 PolarHBondContact O-N 3.13Å; F12-E15 PolarHBondContact O-N 3.01Å; E15-I17 PolarHBondContact O-N 3.46Å; E15-H18 PolarHBondContact O-N 3.01Å; E15-I19 WeakPolarHBondContact O-CB 3.34Å; E15-I19 VanDerWaalsContact O-CG1 3.24Å; E15-I19 WeakPolarHBondContact O-CG1 3.27Å; E15-I19 PolarHBondContact O-N 2.87Å
16	I	57.9	Low	48.8	Very low	69 Å²	69	102.3 Å²	102.3	35%	0.354	53%	0.532	S	S	.	.	H	α-helix	trans	-63.9	-41.9	177.5	-72.2	174.1	0	0	0	111.3	F12 I13 H18 I19 L20	F12-I16 HydrophobicContact CD1-CD1 3.66Å; F12-I16 HydrophobicContact CE1-CD1 3.36Å; F12-I16 HydrophobicContact CE1-CG1 4.34Å; F12-I16 HydrophobicContact CZ-CD1 3.97Å; F12-I16 WeakPolarHBondContact O-CG1 3.27Å; F12-I16 PolarHBondContact O-N 3.26Å; I13-I16 PolarHBondContact O-N 2.85Å; I16-H18 VanDerWaalsContact C-N 3.31Å; I16-H18 PolarHBondContact O-N 3.36Å; I16-I19 PolarHBondContact O-N 3.39Å; I16-L20 HydrophobicContact CG2-CD1 3.65Å; I16-L20 HydrophobicContact CG2-CG 4.14Å; I16-L20 VanDerWaalsContact O-CB 3.26Å; I16-L20 WeakPolarHBondContact O-CB 3.45Å; I16-L20 VanDerWaalsContact O-CG 3.23Å; I16-L20 WeakPolarHBondContact O-CG 3.44Å; I16-L20 PolarHBondContact O-N 3.04Å
17	I	64	Low	48.4	Very low	105 Å²	105	102.4 Å²	102.4	54%	0.538	53%	0.532	S	S	.	.	H	α-helix	trans	-63.4	-41.2	175.7	-70.5	169.9	0	0	0	110	I13 S14 E15 L20 Y21	I13-I17 HydrophobicContact CG2-CD1 3.74Å; I13-I17 HydrophobicContact CG2-CG1 4.27Å; I13-I17 WeakPolarHBondContact O-CB 3.44Å; I13-I17 VanDerWaalsContact O-CG1 3.27Å; I13-I17 WeakPolarHBondContact O-CG1 3.45Å; I13-I17 PolarHBondContact O-N 2.86Å; S14-I17 PolarHBondContact O-N 3.33Å; E15-I17 PolarHBondContact O-N 3.46Å; I17-L20 PolarHBondContact O-N 2.64Å; I17-Y21 WeakPolarHBondContact O-CB 3.29Å; I17-Y21 PolarHBondContact O-N 3.36Å
18	H	54	Low	47.8	Very low	124 Å²	124	108.6 Å²	108.6	57%	0.574	55%	0.546	S	S	*	.	H	α-helix	trans	-67.1	-41.1	178.2	-158.9	-23.4	0	0	0	111.8	S14 E15 I16 Y21 V22	S14-H18 WeakPolarHBondContact O-CB 3.42Å; S14-H18 PolarHBondContact O-N 2.95Å; E15-H18 PolarHBondContact O-N 3.01Å; I16-H18 VanDerWaalsContact C-N 3.31Å; I16-H18 PolarHBondContact O-N 3.36Å; H18-Y21 PolarHBondContact O-N 3.07Å; H18-V22 WeakPolarHBondContact O-CB 3.31Å; H18-V22 WeakPolarHBondContact O-CG2 3.5Å; H18-V22 PolarHBondContact O-N 3.16Å
19	I	50.1	Low	47	Very low	95 Å²	95	108.8 Å²	108.8	49%	0.487	54%	0.543	S	S	.	.	H	α-helix	trans	-64.5	-46.7	174.7	-69.5	165.7	0	0	0	110.2	E15 I16 Y21 V22 M23	E15-I19 WeakPolarHBondContact O-CB 3.34Å; E15-I19 VanDerWaalsContact O-CG1 3.24Å; E15-I19 WeakPolarHBondContact O-CG1 3.27Å; E15-I19 PolarHBondContact O-N 2.87Å; I16-I19 PolarHBondContact O-N 3.39Å; I19-Y21 VanDerWaalsContact C-N 3.31Å; I19-Y21 PolarHBondContact O-N 3.14Å; I19-V22 PolarHBondContact O-N 3.25Å; I19-M23 HydrophobicContact CG2-CG 4.32Å; I19-M23 HydrophobicContact CG2-SD 3.85Å; I19-M23 WeakPolarHBondContact O-CB 3.48Å; I19-M23 WeakPolarHBondContact O-CG 3.29Å; I19-M23 PolarHBondContact O-N 3.05Å
20	L	43	Very low	46.1	Very low	103 Å²	103	106.8 Å²	106.8	54%	0.539	54%	0.541	S	S	.	.	H	α-helix	trans	-65	-34.7	177.4	-73.2	173	0	0	0	111.9	I16 I17 M23 A24	I16-L20 HydrophobicContact CG2-CD1 3.65Å; I16-L20 HydrophobicContact CG2-CG 4.14Å; I16-L20 VanDerWaalsContact O-CB 3.26Å; I16-L20 WeakPolarHBondContact O-CB 3.45Å; I16-L20 VanDerWaalsContact O-CG 3.23Å; I16-L20 WeakPolarHBondContact O-CG 3.44Å; I16-L20 PolarHBondContact O-N 3.04Å; I17-L20 PolarHBondContact O-N 2.64Å; L20-M23 PolarHBondContact O-N 3.25Å; L20-A24 WeakPolarHBondContact O-CB 3.36Å; L20-A24 PolarHBondContact O-N 2.85Å
21	Y	45.4	Very low	44.7	Very low	157 Å²	157	109.1 Å²	109.1	62%	0.616	56%	0.555	S	S	*	*	H	α-helix	trans	-69.8	-41.8	175.8	-173.4	-98.7	0	0	0	111.6	I17 H18 I19 A24 T25	I17-Y21 WeakPolarHBondContact O-CB 3.29Å; I17-Y21 PolarHBondContact O-N 3.36Å; H18-Y21 PolarHBondContact O-N 3.07Å; I19-Y21 VanDerWaalsContact C-N 3.31Å; I19-Y21 PolarHBondContact O-N 3.14Å; Y21-A24 PolarHBondContact O-N 3.17Å; Y21-T25 HydrophobicContact CD1-CG2 4.45Å; Y21-T25 HydrophobicContact CE1-CG2 4.13Å; Y21-T25 HydrophobicContact CE2-CG2 4.41Å; Y21-T25 WeakPolarHBondContact O-CB 3.21Å; Y21-T25 WeakPolarHBondContact O-CG2 3.37Å; Y21-T25 PolarHBondContact O-N 3.33Å; Y21-T25 PolarHBondContact O-OG1 3.36Å
22	V	43.3	Very low	43.5	Very low	60 Å²	60	105.9 Å²	105.9	36%	0.364	56%	0.559	S	S	.	*	H	α-helix	trans	-62.7	-45.2	171.9	170.8	0	0	0	0	110.1	H18 I19 A24 T25 D26	H18-V22 WeakPolarHBondContact O-CB 3.31Å; H18-V22 WeakPolarHBondContact O-CG2 3.5Å; H18-V22 PolarHBondContact O-N 3.16Å; I19-V22 PolarHBondContact O-N 3.25Å; V22-A24 PolarHBondContact O-N 3.23Å; V22-T25 PolarHBondContact O-N 2.64Å; V22-T25 PolarHBondContact O-OG1 2.98Å; V22-D26 WeakPolarHBondContact O-CB 3.2Å; V22-D26 PolarHBondContact O-N 3.24Å
23	M	35.6	Very low	42.3	Very low	123 Å²	123	103.8 Å²	103.8	61%	0.606	55%	0.553	S	S	*	*	H	α-helix	trans	-66.7	-32.4	176.8	-70.7	-179.8	76	0	0	113.5	I19 L20	I19-M23 HydrophobicContact CG2-CG 4.32Å; I19-M23 HydrophobicContact CG2-SD 3.85Å; I19-M23 WeakPolarHBondContact O-CB 3.48Å; I19-M23 WeakPolarHBondContact O-CG 3.29Å; I19-M23 PolarHBondContact O-N 3.05Å; L20-M23 PolarHBondContact O-N 3.25Å
24	A	40.4	Very low	41	Very low	66 Å²	66	105.9 Å²	105.9	55%	0.545	57%	0.565	S	S	.	*	H	α-helix	trans	-76.2	-29.3	177.5	0	0	0	0	0	112.3	L20 Y21 V22	L20-A24 WeakPolarHBondContact O-CB 3.36Å; L20-A24 PolarHBondContact O-N 2.85Å; Y21-A24 PolarHBondContact O-N 3.17Å; V22-A24 PolarHBondContact O-N 3.23Å
25	T	40.2	Very low	39.5	Very low	84 Å²	84	109.9 Å²	109.9	52%	0.515	57%	0.573	S	S	.	*	H	α-helix	trans	-88.9	-18.6	177.8	53.6	0	0	0	0	113.3	Y21 V22 K27	Y21-T25 HydrophobicContact CD1-CG2 4.45Å; Y21-T25 HydrophobicContact CE1-CG2 4.13Å; Y21-T25 HydrophobicContact CE2-CG2 4.41Å; Y21-T25 WeakPolarHBondContact O-CB 3.21Å; Y21-T25 WeakPolarHBondContact O-CG2 3.37Å; Y21-T25 PolarHBondContact O-N 3.33Å; Y21-T25 PolarHBondContact O-OG1 3.36Å; V22-T25 PolarHBondContact O-N 2.64Å; V22-T25 PolarHBondContact O-OG1 2.98Å; T25-K27 VanDerWaalsContact C-N 3.3Å; T25-K27 PolarHBondContact O-N 3.28Å
26	D	31.1	Very low	38.5	Very low	70 Å²	70	112.6 Å²	112.6	37%	0.374	58%	0.583	S	S	.	*			trans	-84.6	7.1	173.7	-81.1	-21.1	0	0	0	114.5	V22 Y28	V22-D26 WeakPolarHBondContact O-CB 3.2Å; V22-D26 PolarHBondContact O-N 3.24Å; D26-Y28 PolarHBondContact O-N 3.23Å
27	K	31.3	Very low	37.5	Very low	163 Å²	163	117.6 Å²	117.6	71%	0.709	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62	109.6	162.7	-78.6	-176.2	178.2	176.6	0	107.6	T25	T25-K27 VanDerWaalsContact C-N 3.3Å; T25-K27 PolarHBondContact O-N 3.28Å
28	Y	33.9	Very low	36.5	Very low	198 Å²	198	115.2 Å²	115.2	78%	0.776	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	102.8	25	174.5	-56.8	-75.5	0	0	0	118.6	D26 P30 M225	D26-Y28 PolarHBondContact O-N 3.23Å; Y28-P30 WeakPolarHBondContact O-CD 3.39Å; Y28-M225 HydrophobicContact CD1-CE 4.47Å; Y28-M225 HydrophobicContact CG-CE 4.2Å
29	I	28.4	Very low	35.6	Very low	86 Å²	86	114.7 Å²	114.7	44%	0.441	60%	0.596	S	S	.	*	S	Bend	trans	-86.6	113.5	144.5	-56.5	174.7	0	0	0	106.2	T31	I29-T31 PolarHBondContact O-N 3.18Å
30	P	27.2	Very low	35	Very low	79 Å²	79	118.2 Å²	118.2	51%	0.513	62%	0.616	S	S	.	*			trans	-62	101.7	175.2	-17.7	30.4	0	0	0	109.3	Y28 G32	Y28-P30 WeakPolarHBondContact O-CD 3.39Å; P30-G32 PolarHBondContact O-N 3.5Å
31	T	27.7	Very low	34.7	Very low	147 Å²	147	119 Å²	119	90%	0.902	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.5	22.3	177.5	46.3	0	0	0	0	113.2	I29	I29-T31 PolarHBondContact O-N 3.18Å
32	G	26.4	Very low	35	Very low	70 Å²	70	121 Å²	121	72%	0.722	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-133.2	18.5	-170	0	0	0	0	0	115.6	P30 D34	P30-G32 PolarHBondContact O-N 3.5Å; G32-D34 PolarHBondContact O-N 3.28Å
33	I	28.9	Very low	36.3	Very low	84 Å²	84	123.5 Å²	123.5	43%	0.431	65%	0.647	S	S	.	*			trans	-91.4	100.6	168.7	-56.7	179.3	0	0	0	107	K35	I33-K35 PolarHBondContact O-N 3.03Å; I33-K35 VanDerWaalsContact O-N 3.13Å
34	D	30.2	Very low	38.8	Very low	140 Å²	140	120.5 Å²	120.5	75%	0.749	63%	0.632	S	S	*	*			trans	-42	121.6	162.8	-109	-30.2	0	0	0	107.8	G32 K36	G32-D34 PolarHBondContact O-N 3.28Å; D34-K36 PolarHBondContact O-N 3.12Å
35	K	33.4	Very low	41.5	Very low	160 Å²	160	119.8 Å²	119.8	70%	0.696	62%	0.616	S	S	*	*			trans	-57.4	87.7	159.6	-80.5	-170	167.1	-154.3	0	105.4	I33 Q37 D533	I33-K35 PolarHBondContact O-N 3.03Å; I33-K35 VanDerWaalsContact O-N 3.13Å; K35-Q37 VanDerWaalsContact C-N 3.33Å; K35-Q37 PolarHBondContact O-N 3Å; K35-D533 IonicContact NZ-OD2 3.59Å; K35-D533 PolarHBondContact NZ-OD2 3.15Å
36	K	36.6	Very low	44.2	Very low	182 Å²	182	115.9 Å²	115.9	79%	0.791	59%	0.592	S	S	*	*			trans	-57.3	108.1	168.4	-80.3	-175.9	175.9	179.3	0	104.3	D34 V38	D34-K36 PolarHBondContact O-N 3.12Å; K36-V38 PolarHBondContact O-N 3.4Å
37	Q	36.4	Very low	47.5	Very low	174 Å²	174	112.5 Å²	112.5	81%	0.813	57%	0.574	S	S	*	*			trans	-46.8	119.7	154.5	-83.6	-175	-20.2	0	0	104.6	K35 D39	K35-Q37 VanDerWaalsContact C-N 3.33Å; K35-Q37 PolarHBondContact O-N 3Å; Q37-D39 PolarHBondContact O-N 2.69Å
38	V	42.5	Very low	50.7	Low	55 Å²	55	104.8 Å²	104.8	33%	0.333	54%	0.541	S	S	.	.			trans	-64.3	93.8	170.7	178.3	0	0	0	0	104.4	K36 N40 K45 I534	K36-V38 PolarHBondContact O-N 3.4Å; V38-N40 PolarHBondContact O-N 3.24Å; V38-K45 HydrophobicContact CG1-CG 4.24Å; V38-I534 HydrophobicContact CG2-CD1 4.04Å; V38-I534 HydrophobicContact CG2-CG1 4.42Å
39	D	35.3	Very low	53.8	Low	112 Å²	112	95.3 Å²	95.3	60%	0.599	50%	0.504	S	S	*	.			trans	-53.1	128.5	170.4	-92.4	-30.1	0	0	0	106.9	Q37 N41	Q37-D39 PolarHBondContact O-N 2.69Å; D39-N41 PolarHBondContact O-N 2.89Å
40	N	38.5	Very low	57.1	Low	169 Å²	169	91.2 Å²	91.2	90%	0.904	48%	0.483	S	S	*	.			trans	-64.8	29.6	173.9	-81.4	-26	0	0	0	112.9	V38	V38-N40 PolarHBondContact O-N 3.24Å
41	N	36.7	Very low	60.5	Low	121 Å²	121	88.2 Å²	88.2	65%	0.647	46%	0.462	S	S	*	.			trans	-59.2	138.9	169.6	-90.7	-29	0	0	0	109.5	D39 N43	D39-N41 PolarHBondContact O-N 2.89Å; N41-N43 PolarHBondContact O-N 3.1Å
42	E	52.2	Low	63.9	Low	199 Å²	199	81.2 Å²	81.2	93%	0.93	42%	0.419	S	S	*	.	S	Bend	trans	-54	0.4	-171.3	-63.8	176.7	150	0	0	116.8	E44	E42-E44 PolarHBondContact O-N 3.08Å
43	N	69.9	Low	67.2	Low	112 Å²	112	78.5 Å²	78.5	60%	0.599	39%	0.391	S	S	*	.	S	Bend	trans	-84.1	112.6	176.8	-72.4	-16.8	0	0	0	111	N41 K45	N41-N43 PolarHBondContact O-N 3.1Å; N43-K45 PolarHBondContact O-N 3.22Å
44	E	88.5	Confident	70.2	Confident	59 Å²	59	75.3 Å²	75.3	28%	0.276	38%	0.376	S	S	.	.			trans	-48.5	125.8	176	-165.7	-176.3	-167.3	0	0	111.9	E42 F46 S63 K114	E42-E44 PolarHBondContact O-N 3.08Å; E44-F46 HydrophobicContact CB-CE1 4.19Å; E44-F46 HydrophobicContact CB-CZ 3.86Å; E44-F46 VanDerWaalsContact CD-CE1 3.5Å; E44-F46 HydrophobicContact CG-CE1 3.57Å; E44-F46 HydrophobicContact CG-CZ 3.77Å; E44-F46 VanDerWaalsContact O-CE2 3.3Å; E44-F46 WeakPolarHBondContact O-CE2 3.2Å; E44-F46 WeakPolarHBondContact O-CZ 3.26Å; E44-S63 VanDerWaalsContact OE1-CB 3.27Å; E44-S63 WeakPolarHBondContact OE1-CB 3.34Å; E44-S63 PolarHBondContact OE1-OG 3.39Å; E44-K114 IonicContact OE1-NZ 3.9Å; E44-K114 WeakPolarHBondContact OE2-CE 3.47Å; E44-K114 IonicContact OE2-NZ 2.95Å; E44-K114 PolarHBondContact OE2-NZ 2.85Å
45	K	96.1	Very high	73	Confident	51 Å²	51	70.4 Å²	70.4	22%	0.222	35%	0.352	C	S	.	.			trans	-102.1	150.4	-179.7	-64.4	-57.4	175.7	-170.2	0	112.3	V38 N43 I64 D118 V120	V38-K45 HydrophobicContact CG1-CG 4.24Å; N43-K45 PolarHBondContact O-N 3.22Å; K45-I64 HydrophobicContact CB-CD1 3.74Å; K45-I64 HydrophobicContact CB-CG1 4.49Å; K45-I64 WeakPolarHBondContact O-CG1 3.48Å; K45-I64 PolarHBondContact O-N 2.82Å; K45-D118 HydrophobicContact CD-CB 4.37Å; K45-D118 IonicContact NZ-OD1 2.86Å; K45-D118 PolarHBondContact NZ-OD1 3.39Å; K45-V120 HydrophobicContact CB-CG1 4.01Å; K45-V120 HydrophobicContact CD-CG1 4.02Å; K45-V120 HydrophobicContact CG-CG1 4.16Å
46	F	98.1	Very high	76	Confident	2 Å²	2	63.7 Å²	63.7	1%	0.009	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	152.3	-172.7	-49.3	-62.1	0	0	0	112.6	E44 I61 F62 I70 L109 K114 D118 I119 V120	E44-F46 HydrophobicContact CB-CE1 4.19Å; E44-F46 HydrophobicContact CB-CZ 3.86Å; E44-F46 VanDerWaalsContact CD-CE1 3.5Å; E44-F46 HydrophobicContact CG-CE1 3.57Å; E44-F46 HydrophobicContact CG-CZ 3.77Å; E44-F46 VanDerWaalsContact O-CE2 3.3Å; E44-F46 WeakPolarHBondContact O-CE2 3.2Å; E44-F46 WeakPolarHBondContact O-CZ 3.26Å; F46-I61 HydrophobicContact CB-CG2 3.6Å; F46-I61 HydrophobicContact CD1-CG2 4.49Å; F46-I61 HydrophobicContact CG-CG2 4.09Å; F46-F62 CarbonylContact C-O 3.49Å; F46-F62 WeakPolarHBondContact CA-O 3.22Å; F46-I70 HydrophobicContact CD1-CG1 3.74Å; F46-I70 HydrophobicContact CE1-CD1 4.31Å; F46-I70 HydrophobicContact CE1-CG1 3.7Å; F46-I70 HydrophobicContact CE1-CG2 4.49Å; F46-L109 HydrophobicContact CD2-CD1 4.31Å; F46-L109 HydrophobicContact CE2-CD1 4.41Å; F46-K114 HydrophobicContact CE1-CD 4.12Å; F46-K114 HydrophobicContact CE2-CB 4.19Å; F46-K114 HydrophobicContact CE2-CD 3.8Å; F46-K114 HydrophobicContact CE2-CG 4.14Å; F46-K114 HydrophobicContact CZ-CD 3.4Å; F46-K114 VanDerWaalsContact CZ-CE 3.47Å; F46-K114 HydrophobicContact CZ-CG 4.09Å; F46-D118 HydrophobicContact CD2-CB 3.61Å; F46-D118 HydrophobicContact CE2-CB 3.65Å; F46-D118 PolarHBondContact N-O 3.45Å; F46-I119 HydrophobicContact CB-CG1 4.25Å; F46-I119 CarbonylContact O-C 3.47Å; F46-I119 VanDerWaalsContact O-CA 3.29Å; F46-I119 WeakPolarHBondContact O-CA 3.46Å; F46-V120 WeakPolarHBondContact O-CG2 3.5Å; F46-V120 PolarHBondContact O-N 3.45Å
47	I	98.7	Very high	78.9	Confident	0 Å²	0	55 Å²	55	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	130.6	169	-69.5	168.3	0	0	0	107.8	I61 F62 I64 V120 A525 V528 A529 L539	I47-I61 CarbonylContact O-C 3.52Å; I47-I61 WeakPolarHBondContact O-CA 3.44Å; I47-F62 PolarHBondContact N-O 3.46Å; I47-F62 PolarHBondContact O-N 3.37Å; I47-I64 HydrophobicContact CD1-CD1 3.89Å; I47-I64 HydrophobicContact CD1-CG1 3.79Å; I47-I64 HydrophobicContact CG1-CD1 3.81Å; I47-I64 HydrophobicContact CG1-CG1 3.82Å; I47-V120 HydrophobicContact CD1-CG2 4.44Å; I47-V120 HydrophobicContact CG1-CG2 3.72Å; I47-A525 HydrophobicContact CB-CB 4.43Å; I47-A525 HydrophobicContact CG2-CB 3.75Å; I47-V528 HydrophobicContact CD1-CB 4.1Å; I47-V528 HydrophobicContact CD1-CG1 3.97Å; I47-V528 HydrophobicContact CG1-CB 4.37Å; I47-V528 HydrophobicContact CG1-CG1 3.89Å; I47-V528 HydrophobicContact CG2-CB 3.77Å; I47-V528 HydrophobicContact CG2-CG1 3.92Å; I47-V528 HydrophobicContact CG2-CG2 3.93Å; I47-A529 HydrophobicContact CD1-CB 3.94Å; I47-L539 HydrophobicContact CD1-CD1 4.26Å
48	A	98.8	Very high	81.8	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	137.5	170.5	0	0	0	0	0	109.7	I60 I61 I119 G121 V122 G123 M282	A48-I60 CarbonylContact C-O 3.48Å; A48-I60 WeakPolarHBondContact CA-O 3.47Å; A48-I61 HydrophobicContact CB-CG1 4.25Å; A48-I119 HydrophobicContact CB-CG2 4.06Å; A48-G121 PolarHBondContact N-O 2.83Å; A48-G121 VanDerWaalsContact N-O 3.09Å; A48-V122 HydrophobicContact CB-CG2 4.22Å; A48-V122 CarbonylContact O-C 3.55Å; A48-V122 VanDerWaalsContact O-CA 3.27Å; A48-V122 WeakPolarHBondContact O-CA 3.15Å; A48-G123 PolarHBondContact O-N 3.11Å; A48-M282 HydrophobicContact CB-CE 4.14Å; A48-M282 HydrophobicContact CB-SD 4.01Å
49	A	98.8	Very high	84.5	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	124.1	174.3	0	0	0	0	0	109.1	V59 I60 F62 G123 A521 A524 A525	A49-V59 VanDerWaalsContact O-CA 3.31Å; A49-V59 WeakPolarHBondContact O-CA 3.24Å; A49-I60 PolarHBondContact N-O 3Å; A49-I60 PolarHBondContact O-N 3.14Å; A49-F62 HydrophobicContact CB-CD2 4.33Å; A49-F62 HydrophobicContact CB-CE2 3.91Å; A49-G123 CarbonylContact C-O 3.54Å; A49-G123 WeakPolarHBondContact CA-O 3.37Å; A49-A521 HydrophobicContact CB-CB 3.98Å; A49-A521 VanDerWaalsContact CB-O 3.22Å; A49-A521 WeakPolarHBondContact CB-O 3.23Å; A49-A524 HydrophobicContact CB-CB 4.35Å; A49-A525 HydrophobicContact CB-CB 4.44Å
50	I	98.9	Very high	87.5	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	127.1	170.8	-62.5	178.7	0	0	0	107.4	V59 I98 L102 V122 G123 I124 T125 L217 L221	I50-V59 HydrophobicContact CG1-CG2 4.22Å; I50-I98 HydrophobicContact CD1-CG2 4.13Å; I50-I98 HydrophobicContact CG2-CD1 3.54Å; I50-I98 HydrophobicContact CG2-CG1 4.4Å; I50-I98 HydrophobicContact CG2-CG2 3.71Å; I50-L102 HydrophobicContact CD1-CD1 4Å; I50-L102 HydrophobicContact CD1-CD2 3.99Å; I50-L102 HydrophobicContact CD1-CG 4.37Å; I50-L102 HydrophobicContact CG1-CD2 3.99Å; I50-V122 HydrophobicContact CD1-CG1 3.77Å; I50-V122 HydrophobicContact CG1-CG1 3.84Å; I50-G123 PolarHBondContact N-O 3.32Å; I50-I124 HydrophobicContact CB-CG1 4.24Å; I50-I124 HydrophobicContact CD1-CG1 4.2Å; I50-I124 CarbonylContact O-C 3.59Å; I50-T125 WeakPolarHBondContact O-CG2 3.34Å; I50-T125 PolarHBondContact O-N 3.5Å; I50-L217 HydrophobicContact CG2-CD1 4.27Å; I50-L221 HydrophobicContact CD1-CD1 3.74Å
51	D	98.7	Very high	90.4	Very high	16 Å²	16	32.1 Å²	32.1	9%	0.086	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	105.8	175.4	-176.6	-5.3	0	0	0	110	R58 T125 T520 A521	D51-R58 HydrophobicContact CB-CB 4.32Å; D51-R58 PolarHBondContact N-O 3.17Å; D51-R58 PolarHBondContact O-N 3.46Å; D51-T125 WeakPolarHBondContact CA-O 3.5Å; D51-T125 HydrophobicContact CB-CG2 3.66Å; D51-T520 WeakPolarHBondContact OD2-CB 3.45Å; D51-T520 PolarHBondContact OD2-OG1 3.38Å; D51-A521 HydrophobicContact CB-CB 4.27Å
52	Q	98.5	Very high	93.3	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	95.6	179.5	-157.4	-54.1	-62.6	0	0	109.8	I94 I98 T125 N126 Q127 V213 L217	Q52-I94 HydrophobicContact CG-CG2 3.56Å; Q52-I98 HydrophobicContact CB-CD1 3.95Å; Q52-I98 HydrophobicContact CG-CD1 3.97Å; Q52-I98 HydrophobicContact CG-CG1 4.09Å; Q52-T125 PolarHBondContact N-O 2.81Å; Q52-N126 HydrophobicContact CB-CB 4.36Å; Q52-N126 CarbonylContact O-C 3.59Å; Q52-N126 VanDerWaalsContact O-CA 3.24Å; Q52-N126 WeakPolarHBondContact O-CA 3.49Å; Q52-Q127 PolarHBondContact O-N 3.1Å; Q52-V213 HydrophobicContact CB-CG1 3.93Å; Q52-V213 HydrophobicContact CG-CG1 3.67Å; Q52-L217 HydrophobicContact CB-CD1 3.81Å; Q52-L217 HydrophobicContact CG-CD1 4.05Å
53	G	95.6	Very high	95.5	Very high	13 Å²	13	16.9 Å²	16.9	13%	0.134	9%	0.092	C	C	.	.			trans	-96.5	179.4	177.7	0	0	0	0	0	113.9	S55 S56 Q127	G53-S55 VanDerWaalsContact C-N 3.29Å; G53-S55 PolarHBondContact O-N 2.93Å; G53-S56 PolarHBondContact N-O 3.3Å; G53-Q127 PolarHBondContact O-NE2 3.22Å
54	T	91.7	Very high	96.8	Very high	17 Å²	17	12.1 Å²	12.1	10%	0.104	7%	0.066	C	C	.	.	S	Bend	trans	-68.5	-26.9	176.9	57	0	0	0	0	114	Q79 Q127 T326	T54-Q79 PolarHBondContact O-NE2 2.87Å; T54-Q127 HydrophobicContact CG2-CB 4.23Å; T54-T326 PolarHBondContact OG1-OG1 2.96Å; T54-T326 VanDerWaalsContact OG1-OG1 3.05Å
55	S	89.6	Confident	97	Very high	37 Å²	37	14 Å²	14	26%	0.259	8%	0.078	S	C	.	.	S	Bend	trans	-111.3	-22.7	-172	-62.3	0	0	0	0	113	G53 S76 V77 T326	G53-S55 VanDerWaalsContact C-N 3.29Å; G53-S55 PolarHBondContact O-N 2.93Å; S55-S76 WeakPolarHBondContact O-CA 3.37Å; S55-V77 PolarHBondContact O-N 2.94Å; S55-T326 PolarHBondContact OG-OG1 3.19Å
56	S	95	Very high	96.9	Very high	18 Å²	18	14.9 Å²	14.9	13%	0.126	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156	153.8	176.6	56.2	0	0	0	0	112	G53 Q74 I75	G53-S56 PolarHBondContact N-O 3.3Å; S56-Q74 PolarHBondContact OG-NE2 3.08Å; S56-I75 CarbonylContact C-O 3.47Å; S56-I75 WeakPolarHBondContact CA-O 3.38Å; S56-I75 WeakPolarHBondContact CB-O 3.35Å
57	S	98.5	Very high	96.8	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	136.2	159.7	-66.5	0	0	0	0	108.7	Q74 I75 V77 T97 I98	S57-Q74 CarbonylContact O-C 3.56Å; S57-Q74 VanDerWaalsContact O-CA 3.32Å; S57-Q74 WeakPolarHBondContact O-CA 3.34Å; S57-I75 PolarHBondContact N-O 2.84Å; S57-I75 PolarHBondContact O-N 2.65Å; S57-V77 WeakPolarHBondContact OG-CG1 3.4Å; S57-T97 WeakPolarHBondContact CB-OG1 3.3Å; S57-T97 PolarHBondContact OG-OG1 3.07Å; S57-I98 VanDerWaalsContact CB-CD1 3.49Å
58	R	98.3	Very high	96.6	Very high	30 Å²	30	16.8 Å²	16.8	11%	0.113	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	145.6	179.7	-173.3	-172.6	-67.9	168.6	-12.3	110	D51 I60 M72 H73 Q74 D517	D51-R58 HydrophobicContact CB-CB 4.32Å; D51-R58 PolarHBondContact N-O 3.17Å; D51-R58 PolarHBondContact O-N 3.46Å; R58-I60 HydrophobicContact CG-CD1 4.5Å; R58-I60 HydrophobicContact CG-CG1 4.05Å; R58-M72 HydrophobicContact CG-CG 4.34Å; R58-H73 VanDerWaalsContact CA-O 3.31Å; R58-H73 WeakPolarHBondContact CA-O 3.24Å; R58-H73 WeakPolarHBondContact CG-O 3.43Å; R58-Q74 HydrophobicContact CB-CB 4.3Å; R58-Q74 HydrophobicContact CB-CG 4.21Å; R58-Q74 HydrophobicContact CG-CB 4.1Å; R58-Q74 HydrophobicContact CG-CG 4.42Å; R58-Q74 VanDerWaalsContact CZ-OE1 3.3Å; R58-D517 PolarHBondContact NH1-O 3.48Å
59	V	98.8	Very high	96.5	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	136.6	165.8	175.4	0	0	0	0	108.4	A49 I50 M72 H73 C101 L102 C105	A49-V59 VanDerWaalsContact O-CA 3.31Å; A49-V59 WeakPolarHBondContact O-CA 3.24Å; I50-V59 HydrophobicContact CG1-CG2 4.22Å; V59-M72 VanDerWaalsContact O-CA 3.32Å; V59-M72 WeakPolarHBondContact O-CA 3.23Å; V59-H73 PolarHBondContact N-O 2.91Å; V59-H73 PolarHBondContact O-N 3.37Å; V59-C101 HydrophobicContact CB-CB 3.89Å; V59-C101 HydrophobicContact CG2-CB 3.5Å; V59-L102 HydrophobicContact CG1-CD2 4.03Å; V59-L102 HydrophobicContact CG2-CD2 3.98Å; V59-L102 HydrophobicContact CG2-CG 3.93Å; V59-C105 HydrophobicContact CG1-CB 4.12Å; V59-C105 PolarHBondContact O-SG 3.05Å; V59-C105 VanDerWaalsContact O-SG 3.41Å
60	I	98.7	Very high	96.4	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	136	175.5	-54.8	-178.9	0	0	0	108.8	A48 A49 R58 F62 I69 A71 M72 V518 A521	A48-I60 CarbonylContact C-O 3.48Å; A48-I60 WeakPolarHBondContact CA-O 3.47Å; A49-I60 PolarHBondContact N-O 3Å; A49-I60 PolarHBondContact O-N 3.14Å; R58-I60 HydrophobicContact CG-CD1 4.5Å; R58-I60 HydrophobicContact CG-CG1 4.05Å; I60-F62 HydrophobicContact CB-CD2 4.36Å; I60-F62 HydrophobicContact CB-CE2 3.75Å; I60-F62 HydrophobicContact CB-CZ 3.9Å; I60-F62 HydrophobicContact CD1-CZ 3.98Å; I60-F62 HydrophobicContact CG2-CD1 4.03Å; I60-F62 HydrophobicContact CG2-CD2 3.93Å; I60-F62 HydrophobicContact CG2-CE1 3.65Å; I60-F62 HydrophobicContact CG2-CE2 3.55Å; I60-F62 HydrophobicContact CG2-CG 4.17Å; I60-F62 HydrophobicContact CG2-CZ 3.41Å; I60-F62 VanDerWaalsContact CG2-CZ 3.41Å; I60-I69 HydrophobicContact CG2-CB 4.43Å; I60-I69 HydrophobicContact CG2-CD1 4.4Å; I60-I69 HydrophobicContact CG2-CG1 3.94Å; I60-I69 HydrophobicContact CG2-CG2 3.94Å; I60-A71 WeakPolarHBondContact CA-O 3.26Å; I60-M72 HydrophobicContact CD1-SD 3.95Å; I60-M72 HydrophobicContact CG1-CB 4.38Å; I60-M72 HydrophobicContact CG1-CG 3.9Å; I60-M72 HydrophobicContact CG1-SD 3.94Å; I60-V518 HydrophobicContact CD1-CB 3.68Å; I60-V518 HydrophobicContact CD1-CG1 3.63Å; I60-A521 HydrophobicContact CD1-CB 3.7Å; I60-A521 HydrophobicContact CG1-CB 4.28Å
61	I	98.7	Very high	96.4	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	114.4	170.1	-57.7	-176.6	0	0	0	108.2	F46 I47 A48 I70 A71 C105 L109 I119 M282	F46-I61 HydrophobicContact CB-CG2 3.6Å; F46-I61 HydrophobicContact CD1-CG2 4.49Å; F46-I61 HydrophobicContact CG-CG2 4.09Å; I47-I61 CarbonylContact O-C 3.52Å; I47-I61 WeakPolarHBondContact O-CA 3.44Å; A48-I61 HydrophobicContact CB-CG1 4.25Å; I61-I70 HydrophobicContact CG2-CB 4.37Å; I61-I70 PolarHBondContact O-N 3.32Å; I61-A71 HydrophobicContact CB-CB 4.13Å; I61-A71 HydrophobicContact CD1-CB 4.02Å; I61-A71 HydrophobicContact CG1-CB 4.17Å; I61-A71 PolarHBondContact N-O 3.42Å; I61-C105 HydrophobicContact CD1-CB 3.8Å; I61-C105 HydrophobicContact CG1-CB 4.1Å; I61-L109 HydrophobicContact CD1-CD2 4.36Å; I61-I119 HydrophobicContact CD1-CD1 3.95Å; I61-M282 HydrophobicContact CD1-CE 3.71Å; I61-M282 HydrophobicContact CG1-CE 4.26Å
62	F	98.4	Very high	96.4	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	140	179.4	-62.8	-81.8	0	0	0	111.2	F46 I47 A49 I60 S68 I69 V518 A521 L522 A525 L539 I542	F46-F62 CarbonylContact C-O 3.49Å; F46-F62 WeakPolarHBondContact CA-O 3.22Å; I47-F62 PolarHBondContact N-O 3.46Å; I47-F62 PolarHBondContact O-N 3.37Å; A49-F62 HydrophobicContact CB-CD2 4.33Å; A49-F62 HydrophobicContact CB-CE2 3.91Å; I60-F62 HydrophobicContact CB-CD2 4.36Å; I60-F62 HydrophobicContact CB-CE2 3.75Å; I60-F62 HydrophobicContact CB-CZ 3.9Å; I60-F62 HydrophobicContact CD1-CZ 3.98Å; I60-F62 HydrophobicContact CG2-CD1 4.03Å; I60-F62 HydrophobicContact CG2-CD2 3.93Å; I60-F62 HydrophobicContact CG2-CE1 3.65Å; I60-F62 HydrophobicContact CG2-CE2 3.55Å; I60-F62 HydrophobicContact CG2-CG 4.17Å; I60-F62 HydrophobicContact CG2-CZ 3.41Å; I60-F62 VanDerWaalsContact CG2-CZ 3.41Å; F62-S68 WeakPolarHBondContact CA-O 3.14Å; F62-I69 HydrophobicContact CD1-CG1 4.24Å; F62-I69 HydrophobicContact CE1-CG1 4.01Å; F62-V518 HydrophobicContact CE1-CG2 4.33Å; F62-V518 HydrophobicContact CZ-CG2 4.4Å; F62-A521 HydrophobicContact CE2-CB 4.07Å; F62-A521 HydrophobicContact CZ-CB 4.12Å; F62-L522 HydrophobicContact CZ-CB 4.39Å; F62-A525 HydrophobicContact CD2-CB 3.74Å; F62-A525 HydrophobicContact CE2-CB 4.12Å; F62-L539 HydrophobicContact CB-CD2 3.74Å; F62-I542 HydrophobicContact CD1-CD1 4.37Å; F62-I542 HydrophobicContact CE1-CD1 3.92Å
63	S	97.5	Very high	96.4	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	127	162	177.6	0	0	0	0	110.2	E44 N65 N66 G67 S68	E44-S63 VanDerWaalsContact OE1-CB 3.27Å; E44-S63 WeakPolarHBondContact OE1-CB 3.34Å; E44-S63 PolarHBondContact OE1-OG 3.39Å; S63-N65 VanDerWaalsContact C-N 3.25Å; S63-N65 PolarHBondContact O-N 2.89Å; S63-N66 VanDerWaalsContact CB-OD1 3.26Å; S63-N66 WeakPolarHBondContact CB-OD1 3.21Å; S63-N66 PolarHBondContact OG-OD1 3.33Å; S63-G67 VanDerWaalsContact O-CA 3.22Å; S63-G67 WeakPolarHBondContact O-CA 3.35Å; S63-G67 PolarHBondContact O-N 2.84Å; S63-S68 PolarHBondContact N-O 2.97Å
64	I	96.4	Very high	96.5	Very high	12 Å²	12	29.6 Å²	29.6	6%	0.062	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-34.8	-179.2	-62.7	177.8	0	0	0	111	K45 I47 V120 I534 G538 L539	K45-I64 HydrophobicContact CB-CD1 3.74Å; K45-I64 HydrophobicContact CB-CG1 4.49Å; K45-I64 WeakPolarHBondContact O-CG1 3.48Å; K45-I64 PolarHBondContact O-N 2.82Å; I47-I64 HydrophobicContact CD1-CD1 3.89Å; I47-I64 HydrophobicContact CD1-CG1 3.79Å; I47-I64 HydrophobicContact CG1-CD1 3.81Å; I47-I64 HydrophobicContact CG1-CG1 3.82Å; I64-V120 HydrophobicContact CD1-CG2 3.74Å; I64-I534 HydrophobicContact CD1-CD1 4.06Å; I64-I534 HydrophobicContact CG2-CG2 3.57Å; I64-G538 CarbonylContact O-C 3.56Å; I64-G538 WeakPolarHBondContact O-CA 3.47Å; I64-L539 PolarHBondContact O-N 3Å
65	N	93.9	Very high	96.8	Very high	98 Å²	98	30.3 Å²	30.3	52%	0.524	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-31.4	-170.3	-68.1	-14.2	0	0	0	113.8	S63 G538	S63-N65 VanDerWaalsContact C-N 3.25Å; S63-N65 PolarHBondContact O-N 2.89Å; N65-G538 WeakPolarHBondContact O-CA 3.43Å
66	N	93.3	Very high	97.1	Very high	69 Å²	69	33.1 Å²	33.1	37%	0.369	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-139.2	2.6	-172.8	65.2	22	0	0	0	115	S63 S68 G538	S63-N66 VanDerWaalsContact CB-OD1 3.26Å; S63-N66 WeakPolarHBondContact CB-OD1 3.21Å; S63-N66 PolarHBondContact OG-OD1 3.33Å; N66-S68 PolarHBondContact O-N 3.24Å; N66-S68 VanDerWaalsContact O-N 3.08Å; N66-S68 WeakPolarHBondContact OD1-CB 3.42Å; N66-S68 PolarHBondContact OD1-N 3.09Å; N66-S68 PolarHBondContact OD1-OG 3.47Å; N66-G538 CarbonylContact C-O 3.54Å; N66-G538 VanDerWaalsContact CA-O 3.27Å; N66-G538 WeakPolarHBondContact CA-O 3.37Å
67	G	95.1	Very high	97.1	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.177	C	C	.	.			trans	69.5	2	178.8	0	0	0	0	0	114.4	S63 G538 I542	S63-G67 VanDerWaalsContact O-CA 3.22Å; S63-G67 WeakPolarHBondContact O-CA 3.35Å; S63-G67 PolarHBondContact O-N 2.84Å; G67-G538 PolarHBondContact N-O 2.81Å; G67-I542 WeakPolarHBondContact O-CD1 3.28Å
68	S	95.4	Very high	96.8	Very high	43 Å²	43	36.9 Å²	36.9	30%	0.301	20%	0.203	S	C	.	.			trans	-62.5	144.1	-178.9	62.9	0	0	0	0	111.8	F62 S63 N66 I70	F62-S68 WeakPolarHBondContact CA-O 3.14Å; S63-S68 PolarHBondContact N-O 2.97Å; N66-S68 PolarHBondContact O-N 3.24Å; N66-S68 VanDerWaalsContact O-N 3.08Å; N66-S68 WeakPolarHBondContact OD1-CB 3.42Å; N66-S68 PolarHBondContact OD1-N 3.09Å; N66-S68 PolarHBondContact OD1-OG 3.47Å; S68-I70 PolarHBondContact O-N 3.33Å; S68-I70 WeakPolarHBondContact OG-CD1 3.35Å
69	I	96.9	Very high	96.6	Very high	54 Å²	54	37.8 Å²	37.8	28%	0.277	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	110.6	175.5	-63.7	173.7	0	0	0	108.3	I60 F62 M72 V518 I542	I60-I69 HydrophobicContact CG2-CB 4.43Å; I60-I69 HydrophobicContact CG2-CD1 4.4Å; I60-I69 HydrophobicContact CG2-CG1 3.94Å; I60-I69 HydrophobicContact CG2-CG2 3.94Å; F62-I69 HydrophobicContact CD1-CG1 4.24Å; F62-I69 HydrophobicContact CE1-CG1 4.01Å; I69-M72 HydrophobicContact CG2-CB 3.84Å; I69-V518 HydrophobicContact CD1-CG1 4.2Å; I69-I542 HydrophobicContact CD1-CD1 4.05Å; I69-I542 HydrophobicContact CG1-CD1 3.89Å
70	I	97.4	Very high	96.3	Very high	33 Å²	33	40.4 Å²	40.4	17%	0.169	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	-35.9	179.5	-55.9	-49.8	0	0	0	111.3	F46 I61 S68 L109 V112 K114	F46-I70 HydrophobicContact CD1-CG1 3.74Å; F46-I70 HydrophobicContact CE1-CD1 4.31Å; F46-I70 HydrophobicContact CE1-CG1 3.7Å; F46-I70 HydrophobicContact CE1-CG2 4.49Å; I61-I70 HydrophobicContact CG2-CB 4.37Å; I61-I70 PolarHBondContact O-N 3.32Å; S68-I70 PolarHBondContact O-N 3.33Å; S68-I70 WeakPolarHBondContact OG-CD1 3.35Å; I70-L109 HydrophobicContact CG2-CD1 3.61Å; I70-V112 HydrophobicContact CG2-CG2 4.34Å; I70-K114 VanDerWaalsContact CD1-NZ 3.33Å; I70-K114 HydrophobicContact CG2-CD 3.6Å
71	A	98.1	Very high	96	Very high	2 Å²	2	47.5 Å²	47.5	2%	0.017	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	146.1	175.6	0	0	0	0	0	109.3	I60 I61 C105 Q108	I60-A71 WeakPolarHBondContact CA-O 3.26Å; I61-A71 HydrophobicContact CB-CB 4.13Å; I61-A71 HydrophobicContact CD1-CB 4.02Å; I61-A71 HydrophobicContact CG1-CB 4.17Å; I61-A71 PolarHBondContact N-O 3.42Å; A71-C105 HydrophobicContact CB-CB 4.09Å; A71-Q108 HydrophobicContact CB-CB 3.8Å
72	M	98.1	Very high	95.8	Very high	70 Å²	70	50.8 Å²	50.8	35%	0.345	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	137.5	173.4	176.1	171.7	69.9	0	0	110.2	R58 V59 I60 I69 Q108	R58-M72 HydrophobicContact CG-CG 4.34Å; V59-M72 VanDerWaalsContact O-CA 3.32Å; V59-M72 WeakPolarHBondContact O-CA 3.23Å; I60-M72 HydrophobicContact CD1-SD 3.95Å; I60-M72 HydrophobicContact CG1-CB 4.38Å; I60-M72 HydrophobicContact CG1-CG 3.9Å; I60-M72 HydrophobicContact CG1-SD 3.94Å; I69-M72 HydrophobicContact CG2-CB 3.84Å; M72-Q108 PolarHBondContact O-NE2 3.47Å; M72-Q108 PolarHBondContact O-OE1 3.18Å; M72-Q108 VanDerWaalsContact O-OE1 3.1Å
73	H	98.5	Very high	95.5	Very high	50 Å²	50	53.3 Å²	53.3	23%	0.231	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	142.4	169.4	-159.6	63.9	0	0	0	110.4	R58 V59 C101 K104 C105	R58-H73 VanDerWaalsContact CA-O 3.31Å; R58-H73 WeakPolarHBondContact CA-O 3.24Å; R58-H73 WeakPolarHBondContact CG-O 3.43Å; V59-H73 PolarHBondContact N-O 2.91Å; V59-H73 PolarHBondContact O-N 3.37Å; H73-C101 HydrophobicContact CB-CB 4.37Å; H73-K104 HydrophobicContact CB-CB 3.91Å; H73-C105 PolarHBondContact N-SG 2.79Å
74	Q	98	Very high	94.9	Very high	88 Å²	88	59.5 Å²	59.5	41%	0.411	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	133.2	-177.9	-177.5	178.1	-16.8	0	0	109.8	S56 S57 R58	S56-Q74 PolarHBondContact OG-NE2 3.08Å; S57-Q74 CarbonylContact O-C 3.56Å; S57-Q74 VanDerWaalsContact O-CA 3.32Å; S57-Q74 WeakPolarHBondContact O-CA 3.34Å; R58-Q74 HydrophobicContact CB-CB 4.3Å; R58-Q74 HydrophobicContact CB-CG 4.21Å; R58-Q74 HydrophobicContact CG-CB 4.1Å; R58-Q74 HydrophobicContact CG-CG 4.42Å; R58-Q74 VanDerWaalsContact CZ-OE1 3.3Å
75	I	98.3	Very high	94.4	Very high	33 Å²	33	60.4 Å²	60.4	17%	0.169	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	130.5	178.5	-61.5	170.5	0	0	0	108.4	S56 S57 T97 E100	S56-I75 CarbonylContact C-O 3.47Å; S56-I75 WeakPolarHBondContact CA-O 3.38Å; S56-I75 WeakPolarHBondContact CB-O 3.35Å; S57-I75 PolarHBondContact N-O 2.84Å; S57-I75 PolarHBondContact O-N 2.65Å; I75-T97 HydrophobicContact CB-CG2 4.42Å; I75-T97 HydrophobicContact CG2-CG2 3.75Å; I75-E100 HydrophobicContact CD1-CB 3.7Å; I75-E100 HydrophobicContact CD1-CG 3.59Å
76	S	95.9	Very high	94.3	Very high	95 Å²	95	59.2 Å²	59.2	66%	0.664	33%	0.334	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.3	139.8	175.1	-61.3	0	0	0	0	111.1	S55	S55-S76 WeakPolarHBondContact O-CA 3.37Å
77	V	94.4	Very high	94.3	Very high	12 Å²	12	56.6 Å²	56.6	7%	0.073	32%	0.32	C	S	.	.			trans	-108	145.4	173.2	-68.2	0	0	0	0	110	S55 S57 M89 T97	S55-V77 PolarHBondContact O-N 2.94Å; S57-V77 WeakPolarHBondContact OG-CG1 3.4Å; V77-M89 HydrophobicContact CB-CE 3.81Å; V77-M89 HydrophobicContact CG2-CE 3.42Å; V77-M89 VanDerWaalsContact CG2-CE 3.42Å; V77-T97 HydrophobicContact CG1-CG2 4.2Å
78	T	93	Very high	94.4	Very high	86 Å²	86	57.9 Å²	57.9	53%	0.528	33%	0.326	S	S	.	.			trans	-95.1	141.9	-175.2	55.3	0	0	0	0	111.3	Q93	T78-Q93 VanDerWaalsContact OG1-CD 3.29Å; T78-Q93 PolarHBondContact OG1-NE2 3.35Å; T78-Q93 PolarHBondContact OG1-OE1 3.18Å
79	Q	92.7	Very high	94.6	Very high	48 Å²	48	55.9 Å²	55.9	22%	0.224	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	143.2	170.5	-63.1	178.9	13	0	0	109.3	T54 Y81 I87 E88 M89	T54-Q79 PolarHBondContact O-NE2 2.87Å; Q79-Y81 HydrophobicContact CB-CE2 4.17Å; Q79-Y81 PolarHBondContact OE1-OH 3.44Å; Q79-Y81 VanDerWaalsContact OE1-OH 3.1Å; Q79-I87 HydrophobicContact CB-CG2 4.37Å; Q79-E88 CarbonylContact C-O 3.57Å; Q79-E88 VanDerWaalsContact CA-O 3.32Å; Q79-E88 WeakPolarHBondContact CA-O 3.49Å; Q79-M89 HydrophobicContact CG-CG 3.87Å; Q79-M89 HydrophobicContact CG-SD 4.27Å
80	S	93.3	Very high	94.6	Very high	56 Å²	56	57.4 Å²	57.4	39%	0.392	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	151.9	170.3	56.4	0	0	0	0	110.8	I87 E88	S80-I87 WeakPolarHBondContact O-CA 3.19Å; S80-E88 PolarHBondContact N-O 2.8Å; S80-E88 PolarHBondContact O-N 3.48Å; S80-E88 WeakPolarHBondContact OG-CB 3.34Å
81	Y	92.4	Very high	94.7	Very high	149 Å²	149	55.9 Å²	55.9	58%	0.584	31%	0.313	S	S	*	.			trans	-127.6	70.6	-177.8	-55.9	-92.3	0	0	0	109.6	Q79 S83 W86 I87	Q79-Y81 HydrophobicContact CB-CE2 4.17Å; Q79-Y81 PolarHBondContact OE1-OH 3.44Å; Q79-Y81 VanDerWaalsContact OE1-OH 3.1Å; Y81-S83 PolarHBondContact O-N 3.39Å; Y81-W86 WeakPolarHBondContact CA-O 3.43Å; Y81-I87 HydrophobicContact CD1-CG1 3.95Å; Y81-I87 HydrophobicContact CE1-CD1 4.31Å; Y81-I87 HydrophobicContact CE1-CG1 3.91Å; Y81-I87 HydrophobicContact CE1-CG2 4.08Å
82	P	94.5	Very high	94.7	Very high	69 Å²	69	58.2 Å²	58.2	45%	0.448	33%	0.325	S	S	.	.	S	Bend	trans	-68.7	-18.9	-170.8	26.4	-34.1	0	0	0	113.7	W86 E88	P82-W86 HydrophobicContact CG-CB 4.07Å; P82-W86 HydrophobicContact CG-CE3 4.13Å; P82-E88 HydrophobicContact CG-CG 4.3Å
83	S	91.5	Very high	94.7	Very high	53 Å²	53	57 Å²	57	37%	0.371	32%	0.318	S	S	.	.	S	Bend	trans	-152.7	160.4	176.7	-75.6	0	0	0	0	110.3	Y81 G85 W86	Y81-S83 PolarHBondContact O-N 3.39Å; S83-G85 PolarHBondContact O-N 2.81Å; S83-W86 WeakPolarHBondContact O-CB 3.31Å; S83-W86 PolarHBondContact O-N 3.49Å
84	P	85.7	Confident	94.7	Very high	130 Å²	130	54.6 Å²	54.6	84%	0.844	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	126.5	176.8	-26.3	35.4	0	0	0	112.1	W86	P84-W86 PolarHBondContact O-N 3.22Å
85	G	85	Confident	94.8	Very high	31 Å²	31	51 Å²	51	32%	0.32	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.2	-5.5	-177	0	0	0	0	0	115	S83 A151	S83-G85 PolarHBondContact O-N 2.81Å; G85-A151 PolarHBondContact O-N 3.29Å
86	W	92.5	Very high	94.8	Very high	72 Å²	72	53 Å²	53	27%	0.273	30%	0.303	S	S	.	.			trans	-91.2	133.6	177.2	-66.6	35.1	0	0	0	109.8	Y81 P82 S83 P84 D150 R152 W191	Y81-W86 WeakPolarHBondContact CA-O 3.43Å; P82-W86 HydrophobicContact CG-CB 4.07Å; P82-W86 HydrophobicContact CG-CE3 4.13Å; S83-W86 WeakPolarHBondContact O-CB 3.31Å; S83-W86 PolarHBondContact O-N 3.49Å; P84-W86 PolarHBondContact O-N 3.22Å; W86-D150 VanDerWaalsContact CA-OD2 3.24Å; W86-D150 WeakPolarHBondContact CA-OD2 3.36Å; W86-R152 HydrophobicContact CD2-CB 3.94Å; W86-R152 VanDerWaalsContact CE2-CB 3.49Å; W86-R152 VanDerWaalsContact CE3-NH1 3.25Å; W86-R152 HydrophobicContact CG-CB 4Å; W86-R152 HydrophobicContact CZ2-CB 4.05Å; W86-W191 AromaticContact CH2-CH2 3.81Å; W86-W191 HydrophobicContact CH2-CH2 3.81Å; W86-W191 AromaticContact CH2-CZ2 3.41Å; W86-W191 HydrophobicContact CH2-CZ2 3.41Å; W86-W191 VanDerWaalsContact CH2-CZ2 3.41Å; W86-W191 AromaticContact CZ2-CZ2 3.98Å; W86-W191 HydrophobicContact CZ2-CZ2 3.98Å; W86-W191 AromaticContact CZ3-CH2 3.9Å; W86-W191 HydrophobicContact CZ3-CH2 3.9Å; W86-W191 AromaticContact CZ3-CZ2 3.98Å; W86-W191 HydrophobicContact CZ3-CZ2 3.98Å
87	I	93.9	Very high	94.9	Very high	15 Å²	15	48.9 Å²	48.9	8%	0.077	28%	0.275	C	S	.	.			trans	-139.2	116.6	-177.8	-50.1	174.9	0	0	0	107.8	Q79 S80 Y81 V147 S149 D150	Q79-I87 HydrophobicContact CB-CG2 4.37Å; S80-I87 WeakPolarHBondContact O-CA 3.19Å; Y81-I87 HydrophobicContact CD1-CG1 3.95Å; Y81-I87 HydrophobicContact CE1-CD1 4.31Å; Y81-I87 HydrophobicContact CE1-CG1 3.91Å; Y81-I87 HydrophobicContact CE1-CG2 4.08Å; I87-V147 HydrophobicContact CB-CB 4.04Å; I87-V147 HydrophobicContact CB-CG2 4.43Å; I87-V147 HydrophobicContact CG2-CB 3.75Å; I87-V147 HydrophobicContact CG2-CG1 4.09Å; I87-V147 HydrophobicContact CG2-CG2 3.81Å; I87-V147 WeakPolarHBondContact O-CB 3.29Å; I87-V147 PolarHBondContact O-N 3.15Å; I87-S149 VanDerWaalsContact CD1-OG 3.26Å; I87-S149 WeakPolarHBondContact CD1-OG 3.42Å; I87-D150 HydrophobicContact CB-CB 4.4Å; I87-D150 PolarHBondContact N-OD2 3.22Å
88	E	97.7	Very high	95.1	Very high	26 Å²	26	48.3 Å²	48.3	12%	0.121	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	154.5	-176	-65	176.5	176.8	0	0	111.5	Q79 S80 P82 P144 A145 R152	Q79-E88 CarbonylContact C-O 3.57Å; Q79-E88 VanDerWaalsContact CA-O 3.32Å; Q79-E88 WeakPolarHBondContact CA-O 3.49Å; S80-E88 PolarHBondContact N-O 2.8Å; S80-E88 PolarHBondContact O-N 3.48Å; S80-E88 WeakPolarHBondContact OG-CB 3.34Å; P82-E88 HydrophobicContact CG-CG 4.3Å; E88-P144 HydrophobicContact CB-CB 3.94Å; E88-P144 HydrophobicContact CG-CB 4.2Å; E88-A145 VanDerWaalsContact CA-O 3.28Å; E88-A145 WeakPolarHBondContact CA-O 3.29Å; E88-R152 IonicContact OE1-CZ 2.68Å; E88-R152 VanDerWaalsContact OE1-CZ 3.29Å; E88-R152 IonicContact OE1-NH1 2.71Å; E88-R152 PolarHBondContact OE1-NH1 3.26Å; E88-R152 IonicContact OE1-NH2 3.23Å; E88-R152 PolarHBondContact OE1-NH2 2.9Å
89	M	98.1	Very high	95.4	Very high	2 Å²	2	45.2 Å²	45.2	1%	0.01	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	148.9	170.6	-70.3	175.2	73.3	0	0	110.2	V77 Q79 A91 I94 Q127 A145 V147	V77-M89 HydrophobicContact CB-CE 3.81Å; V77-M89 HydrophobicContact CG2-CE 3.42Å; V77-M89 VanDerWaalsContact CG2-CE 3.42Å; Q79-M89 HydrophobicContact CG-CG 3.87Å; Q79-M89 HydrophobicContact CG-SD 4.27Å; M89-A91 PolarHBondContact O-N 3.48Å; M89-I94 HydrophobicContact CB-CD1 4.01Å; M89-I94 HydrophobicContact CB-CG1 4.47Å; M89-I94 HydrophobicContact CE-CD1 3.96Å; M89-I94 HydrophobicContact CE-CG1 3.77Å; M89-I94 HydrophobicContact SD-CD1 4.39Å; M89-Q127 PolarHBondContact SD-NE2 3.43Å; M89-Q127 VanDerWaalsContact SD-NE2 3.42Å; M89-A145 HydrophobicContact CB-CB 4.31Å; M89-A145 PolarHBondContact N-O 2.98Å; M89-A145 WeakPolarHBondContact O-CB 3.21Å; M89-A145 PolarHBondContact O-N 3.39Å; M89-V147 HydrophobicContact CB-CG2 4.27Å; M89-V147 HydrophobicContact CG-CG2 3.54Å; M89-V147 HydrophobicContact SD-CG2 3.75Å
90	D	98.4	Very high	95.7	Very high	86 Å²	86	47.4 Å²	47.4	46%	0.46	26%	0.262	S	S	.	.			trans	-76	113.7	169.9	178.7	-3.2	0	0	0	109.6	N92 Q93 I94	D90-N92 PolarHBondContact O-N 3.33Å; D90-N92 WeakPolarHBondContact OD1-CA 3.4Å; D90-N92 WeakPolarHBondContact OD1-CB 3.43Å; D90-N92 PolarHBondContact OD1-N 3.42Å; D90-Q93 HydrophobicContact CB-CB 3.81Å; D90-Q93 WeakPolarHBondContact O-CB 3.29Å; D90-Q93 PolarHBondContact O-N 3.36Å; D90-Q93 VanDerWaalsContact O-N 3.07Å; D90-Q93 PolarHBondContact OD1-N 3.41Å; D90-I94 WeakPolarHBondContact O-CG1 3.44Å; D90-I94 PolarHBondContact O-N 3.3Å
91	A	98.5	Very high	96	Very high	1 Å²	1	44.8 Å²	44.8	1%	0.008	24%	0.243	C	C	.	.	H	α-helix	trans	-60.5	-32.9	178.2	0	0	0	0	0	112.7	M89 I94 Y95 I132 P141 W216	M89-A91 PolarHBondContact O-N 3.48Å; A91-I94 WeakPolarHBondContact O-CB 3.47Å; A91-I94 PolarHBondContact O-N 2.92Å; A91-Y95 PolarHBondContact O-N 3.36Å; A91-I132 HydrophobicContact CB-CD1 4.19Å; A91-I132 HydrophobicContact CB-CG2 3.78Å; A91-P141 HydrophobicContact CB-CB 4.05Å; A91-P141 HydrophobicContact CB-CG 3.78Å; A91-W216 HydrophobicContact CB-CZ2 4.22Å; A91-W216 PolarHBondContact O-NE1 2.97Å
92	N	98.6	Very high	96.3	Very high	50 Å²	50	37.7 Å²	37.7	27%	0.267	22%	0.215	S	C	.	.	H	α-helix	trans	-69	-39.8	173.9	-79.9	-32.7	0	0	0	111	D90 I94 Y95 T96 E140	D90-N92 PolarHBondContact O-N 3.33Å; D90-N92 WeakPolarHBondContact OD1-CA 3.4Å; D90-N92 WeakPolarHBondContact OD1-CB 3.43Å; D90-N92 PolarHBondContact OD1-N 3.42Å; N92-I94 VanDerWaalsContact C-N 3.35Å; N92-I94 PolarHBondContact O-N 3.46Å; N92-Y95 PolarHBondContact O-N 2.79Å; N92-T96 WeakPolarHBondContact O-CG2 3.19Å; N92-T96 PolarHBondContact O-N 2.74Å; N92-T96 PolarHBondContact O-OG1 2.79Å; N92-E140 PolarHBondContact ND2-OE2 2.78Å
93	Q	98.5	Very high	96.5	Very high	45 Å²	45	35.9 Å²	35.9	21%	0.21	20%	0.202	C	C	.	.	H	α-helix	trans	-62.3	-41.2	173.5	-172.8	-171.3	67.7	0	0	112.2	T78 D90 Y95 T96 T97	T78-Q93 VanDerWaalsContact OG1-CD 3.29Å; T78-Q93 PolarHBondContact OG1-NE2 3.35Å; T78-Q93 PolarHBondContact OG1-OE1 3.18Å; D90-Q93 HydrophobicContact CB-CB 3.81Å; D90-Q93 WeakPolarHBondContact O-CB 3.29Å; D90-Q93 PolarHBondContact O-N 3.36Å; D90-Q93 VanDerWaalsContact O-N 3.07Å; D90-Q93 PolarHBondContact OD1-N 3.41Å; Q93-Y95 PolarHBondContact O-N 3.5Å; Q93-T96 WeakPolarHBondContact CA-OG1 3.5Å; Q93-T96 PolarHBondContact O-N 2.67Å; Q93-T96 PolarHBondContact O-OG1 2.96Å; Q93-T97 HydrophobicContact CG-CG2 4.04Å; Q93-T97 WeakPolarHBondContact O-CB 3.44Å; Q93-T97 VanDerWaalsContact O-CG2 3.32Å; Q93-T97 WeakPolarHBondContact O-CG2 3.09Å; Q93-T97 PolarHBondContact O-N 3.47Å; Q93-T97 PolarHBondContact O-OG1 3.42Å
94	I	98.6	Very high	96.8	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-53.3	-46	174.3	-69.2	173.5	0	0	0	109.9	Q52 M89 D90 A91 N92 T97 I98 I132 A145 V213 L217	Q52-I94 HydrophobicContact CG-CG2 3.56Å; M89-I94 HydrophobicContact CB-CD1 4.01Å; M89-I94 HydrophobicContact CB-CG1 4.47Å; M89-I94 HydrophobicContact CE-CD1 3.96Å; M89-I94 HydrophobicContact CE-CG1 3.77Å; M89-I94 HydrophobicContact SD-CD1 4.39Å; D90-I94 WeakPolarHBondContact O-CG1 3.44Å; D90-I94 PolarHBondContact O-N 3.3Å; A91-I94 WeakPolarHBondContact O-CB 3.47Å; A91-I94 PolarHBondContact O-N 2.92Å; N92-I94 VanDerWaalsContact C-N 3.35Å; N92-I94 PolarHBondContact O-N 3.46Å; I94-T97 PolarHBondContact O-OG1 2.9Å; I94-I98 WeakPolarHBondContact O-CG1 3.44Å; I94-I132 HydrophobicContact CD1-CD1 4.47Å; I94-A145 HydrophobicContact CD1-CB 4.35Å; I94-V213 HydrophobicContact CG2-CG1 4.11Å; I94-L217 HydrophobicContact CG2-CD2 4.19Å
95	Y	98.8	Very high	97.4	Very high	13 Å²	13	30.6 Å²	30.6	5%	0.051	16%	0.159	C	C	.	.	H	α-helix	trans	-72.2	-48.4	179.3	-179.1	-114.7	0	0	0	113.5	A91 N92 Q93 T97 I98 L99 L217 K220 L221 D277	A91-Y95 PolarHBondContact O-N 3.36Å; N92-Y95 PolarHBondContact O-N 2.79Å; Q93-Y95 PolarHBondContact O-N 3.5Å; Y95-T97 VanDerWaalsContact C-N 3.3Å; Y95-T97 PolarHBondContact O-N 3.28Å; Y95-I98 WeakPolarHBondContact O-CB 3.48Å; Y95-I98 PolarHBondContact O-N 3.41Å; Y95-I98 VanDerWaalsContact O-N 3.11Å; Y95-L99 HydrophobicContact CE1-CD2 4.29Å; Y95-L99 PolarHBondContact O-N 2.88Å; Y95-L217 HydrophobicContact CD2-CD2 4.15Å; Y95-K220 HydrophobicContact CD1-CB 4.04Å; Y95-K220 HydrophobicContact CD1-CG 4.3Å; Y95-K220 HydrophobicContact CD2-CB 3.44Å; Y95-K220 VanDerWaalsContact CD2-CB 3.44Å; Y95-K220 HydrophobicContact CD2-CG 4.04Å; Y95-K220 HydrophobicContact CE1-CB 3.91Å; Y95-K220 HydrophobicContact CE2-CB 3.3Å; Y95-K220 HydrophobicContact CE2-CG 4.36Å; Y95-K220 HydrophobicContact CG-CB 3.81Å; Y95-K220 HydrophobicContact CG-CG 4.01Å; Y95-L221 HydrophobicContact CE2-CD2 4.03Å; Y95-L221 HydrophobicContact CE2-CG 4.07Å; Y95-D277 PolarHBondContact OH-OD2 3.42Å
96	T	98.6	Very high	98.1	Very high	73 Å²	73	29.2 Å²	29.2	45%	0.448	14%	0.144	S	C	.	.	H	α-helix	trans	-63.9	-36.8	-174	54.3	0	0	0	0	112.2	N92 Q93 L99 E100	N92-T96 WeakPolarHBondContact O-CG2 3.19Å; N92-T96 PolarHBondContact O-N 2.74Å; N92-T96 PolarHBondContact O-OG1 2.79Å; Q93-T96 WeakPolarHBondContact CA-OG1 3.5Å; Q93-T96 PolarHBondContact O-N 2.67Å; Q93-T96 PolarHBondContact O-OG1 2.96Å; T96-L99 PolarHBondContact O-N 3.44Å; T96-E100 PolarHBondContact O-N 3Å
97	T	98.8	Very high	98.3	Very high	10 Å²	10	30.3 Å²	30.3	6%	0.061	15%	0.153	C	C	.	.	H	α-helix	trans	-66.5	-37.3	174.7	54.7	0	0	0	0	112.4	S57 I75 V77 Q93 I94 Y95 E100 C101	S57-T97 WeakPolarHBondContact CB-OG1 3.3Å; S57-T97 PolarHBondContact OG-OG1 3.07Å; I75-T97 HydrophobicContact CB-CG2 4.42Å; I75-T97 HydrophobicContact CG2-CG2 3.75Å; V77-T97 HydrophobicContact CG1-CG2 4.2Å; Q93-T97 HydrophobicContact CG-CG2 4.04Å; Q93-T97 WeakPolarHBondContact O-CB 3.44Å; Q93-T97 VanDerWaalsContact O-CG2 3.32Å; Q93-T97 WeakPolarHBondContact O-CG2 3.09Å; Q93-T97 PolarHBondContact O-N 3.47Å; Q93-T97 PolarHBondContact O-OG1 3.42Å; I94-T97 PolarHBondContact O-OG1 2.9Å; Y95-T97 VanDerWaalsContact C-N 3.3Å; Y95-T97 PolarHBondContact O-N 3.28Å; T97-E100 PolarHBondContact O-N 3.06Å; T97-C101 WeakPolarHBondContact O-CB 3.37Å; T97-C101 PolarHBondContact O-N 3.02Å; T97-C101 PolarHBondContact O-SG 3.1Å
98	I	98.8	Very high	98.5	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-66.1	-44.4	173.7	-66.6	-74.6	0	0	0	110.7	I50 Q52 S57 I94 Y95 E100 C101 L102 L217	I50-I98 HydrophobicContact CD1-CG2 4.13Å; I50-I98 HydrophobicContact CG2-CD1 3.54Å; I50-I98 HydrophobicContact CG2-CG1 4.4Å; I50-I98 HydrophobicContact CG2-CG2 3.71Å; Q52-I98 HydrophobicContact CB-CD1 3.95Å; Q52-I98 HydrophobicContact CG-CD1 3.97Å; Q52-I98 HydrophobicContact CG-CG1 4.09Å; S57-I98 VanDerWaalsContact CB-CD1 3.49Å; I94-I98 WeakPolarHBondContact O-CG1 3.44Å; Y95-I98 WeakPolarHBondContact O-CB 3.48Å; Y95-I98 PolarHBondContact O-N 3.41Å; Y95-I98 VanDerWaalsContact O-N 3.11Å; I98-E100 VanDerWaalsContact C-N 3.32Å; I98-E100 PolarHBondContact O-N 3.37Å; I98-C101 PolarHBondContact O-N 3.1Å; I98-L102 HydrophobicContact CG2-CD1 4.02Å; I98-L102 HydrophobicContact CG2-CG 4.45Å; I98-L102 WeakPolarHBondContact O-CG 3.49Å; I98-L102 PolarHBondContact O-N 2.65Å; I98-L217 HydrophobicContact CB-CD2 4.25Å; I98-L217 HydrophobicContact CG1-CD1 4.49Å; I98-L217 HydrophobicContact CG1-CD2 3.96Å; I98-L217 HydrophobicContact CG2-CD2 4.36Å
99	L	98.8	Very high	98.5	Very high	20 Å²	20	31.5 Å²	31.5	11%	0.105	16%	0.158	C	C	.	.	H	α-helix	trans	-58.9	-43.2	176.5	-179	62.9	0	0	0	111.8	Y95 T96 L102 N103 K279 C280	Y95-L99 HydrophobicContact CE1-CD2 4.29Å; Y95-L99 PolarHBondContact O-N 2.88Å; T96-L99 PolarHBondContact O-N 3.44Å; L99-L102 PolarHBondContact O-N 2.92Å; L99-N103 PolarHBondContact O-N 2.82Å; L99-K279 HydrophobicContact CD1-CB 4.41Å; L99-K279 HydrophobicContact CD2-CB 3.89Å; L99-K279 HydrophobicContact CD2-CD 4.42Å; L99-C280 HydrophobicContact CD1-CB 3.68Å
100	E	98.8	Very high	98.3	Very high	95 Å²	95	37.2 Å²	37.2	44%	0.444	18%	0.183	S	C	.	.	H	α-helix	trans	-63.7	-47.1	175.2	-173.3	176.9	159.5	0	0	111.6	I75 T96 T97 I98 L102 N103 K104	I75-E100 HydrophobicContact CD1-CB 3.7Å; I75-E100 HydrophobicContact CD1-CG 3.59Å; T96-E100 PolarHBondContact O-N 3Å; T97-E100 PolarHBondContact O-N 3.06Å; I98-E100 VanDerWaalsContact C-N 3.32Å; I98-E100 PolarHBondContact O-N 3.37Å; E100-L102 VanDerWaalsContact C-N 3.33Å; E100-L102 PolarHBondContact O-N 2.76Å; E100-N103 PolarHBondContact O-N 2.95Å; E100-K104 HydrophobicContact CG-CG 4.26Å; E100-K104 WeakPolarHBondContact O-CB 3.33Å; E100-K104 WeakPolarHBondContact O-CG 3.27Å; E100-K104 PolarHBondContact O-N 3.39Å
101	C	98.8	Very high	98.2	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-58.6	-41.8	176	-72.6	0	0	0	0	112.8	V59 H73 T97 I98 K104 C105	V59-C101 HydrophobicContact CB-CB 3.89Å; V59-C101 HydrophobicContact CG2-CB 3.5Å; H73-C101 HydrophobicContact CB-CB 4.37Å; T97-C101 WeakPolarHBondContact O-CB 3.37Å; T97-C101 PolarHBondContact O-N 3.02Å; T97-C101 PolarHBondContact O-SG 3.1Å; I98-C101 PolarHBondContact O-N 3.1Å; C101-K104 PolarHBondContact O-N 3.04Å; C101-C105 WeakPolarHBondContact O-CB 3.49Å; C101-C105 PolarHBondContact O-N 2.79Å; C101-C105 PolarHBondContact O-SG 3.49Å
102	L	98.8	Very high	98	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-59.4	-50.3	175.4	-75.3	166	0	0	0	110.7	I50 V59 I98 L99 E100 K104 C105 V106 L221 M282	I50-L102 HydrophobicContact CD1-CD1 4Å; I50-L102 HydrophobicContact CD1-CD2 3.99Å; I50-L102 HydrophobicContact CD1-CG 4.37Å; I50-L102 HydrophobicContact CG1-CD2 3.99Å; V59-L102 HydrophobicContact CG1-CD2 4.03Å; V59-L102 HydrophobicContact CG2-CD2 3.98Å; V59-L102 HydrophobicContact CG2-CG 3.93Å; I98-L102 HydrophobicContact CG2-CD1 4.02Å; I98-L102 HydrophobicContact CG2-CG 4.45Å; I98-L102 WeakPolarHBondContact O-CG 3.49Å; I98-L102 PolarHBondContact O-N 2.65Å; L99-L102 PolarHBondContact O-N 2.92Å; E100-L102 VanDerWaalsContact C-N 3.33Å; E100-L102 PolarHBondContact O-N 2.76Å; L102-K104 PolarHBondContact O-N 3.2Å; L102-C105 PolarHBondContact O-N 3.05Å; L102-V106 WeakPolarHBondContact O-CG2 3.27Å; L102-V106 PolarHBondContact O-N 3.48Å; L102-V106 VanDerWaalsContact O-N 3.11Å; L102-L221 HydrophobicContact CD1-CD2 3.78Å; L102-M282 HydrophobicContact CD2-CE 4.14Å; L102-M282 HydrophobicContact CD2-SD 3.59Å; L102-M282 VanDerWaalsContact CD2-SD 3.59Å
103	N	98.8	Very high	97.8	Very high	32 Å²	32	46.5 Å²	46.5	17%	0.171	24%	0.242	C	C	.	.	H	α-helix	trans	-64.8	-41.7	-179	-71.2	-13.1	0	0	0	112	L99 E100 C105 V106 E107 K279 L281	L99-N103 PolarHBondContact O-N 2.82Å; E100-N103 PolarHBondContact O-N 2.95Å; N103-C105 PolarHBondContact O-N 3.47Å; N103-V106 WeakPolarHBondContact O-CB 3.41Å; N103-V106 PolarHBondContact O-N 3.44Å; N103-E107 PolarHBondContact O-N 3.28Å; N103-K279 PolarHBondContact ND2-O 2.94Å; N103-K279 PolarHBondContact OD1-O 2.69Å; N103-L281 HydrophobicContact CB-CD1 4.12Å; N103-L281 HydrophobicContact CB-CG 4.33Å; N103-L281 WeakPolarHBondContact OD1-CB 3.27Å; N103-L281 WeakPolarHBondContact OD1-CG 3.48Å; N103-L281 PolarHBondContact OD1-N 2.58Å
104	K	98.7	Very high	97.6	Very high	72 Å²	72	46.7 Å²	46.7	31%	0.313	24%	0.242	S	C	.	.	H	α-helix	trans	-63.8	-38.4	175.6	-71.9	-67.2	171.2	-158.7	0	112.9	H73 E100 C101 L102 V106 E107 Q108	H73-K104 HydrophobicContact CB-CB 3.91Å; E100-K104 HydrophobicContact CG-CG 4.26Å; E100-K104 WeakPolarHBondContact O-CB 3.33Å; E100-K104 WeakPolarHBondContact O-CG 3.27Å; E100-K104 PolarHBondContact O-N 3.39Å; C101-K104 PolarHBondContact O-N 3.04Å; L102-K104 PolarHBondContact O-N 3.2Å; K104-V106 VanDerWaalsContact C-N 3.31Å; K104-V106 PolarHBondContact O-N 3.21Å; K104-E107 WeakPolarHBondContact CD-OE2 3.44Å; K104-E107 IonicContact NZ-OE1 2.73Å; K104-E107 IonicContact NZ-OE2 3.79Å; K104-E107 PolarHBondContact NZ-OE2 2.93Å; K104-E107 WeakPolarHBondContact O-CB 3.25Å; K104-E107 PolarHBondContact O-N 3.23Å; K104-Q108 WeakPolarHBondContact O-CG 3.29Å; K104-Q108 PolarHBondContact O-N 3.48Å
105	C	98.7	Very high	97.3	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-65.7	-35	174.1	-69.3	0	0	0	0	112.1	V59 I61 A71 H73 C101 L102 N103 Q108 L109 M282	V59-C105 HydrophobicContact CG1-CB 4.12Å; V59-C105 PolarHBondContact O-SG 3.05Å; V59-C105 VanDerWaalsContact O-SG 3.41Å; I61-C105 HydrophobicContact CD1-CB 3.8Å; I61-C105 HydrophobicContact CG1-CB 4.1Å; A71-C105 HydrophobicContact CB-CB 4.09Å; H73-C105 PolarHBondContact N-SG 2.79Å; C101-C105 WeakPolarHBondContact O-CB 3.49Å; C101-C105 PolarHBondContact O-N 2.79Å; C101-C105 PolarHBondContact O-SG 3.49Å; L102-C105 PolarHBondContact O-N 3.05Å; N103-C105 PolarHBondContact O-N 3.47Å; C105-Q108 PolarHBondContact O-N 2.95Å; C105-L109 WeakPolarHBondContact O-CB 3.24Å; C105-L109 PolarHBondContact O-N 2.89Å; C105-M282 HydrophobicContact CB-CE 4.34Å
106	V	98.3	Very high	97.2	Very high	2 Å²	2	50 Å²	50	1%	0.012	27%	0.266	C	S	.	.	H	α-helix	trans	-66.7	-39.5	173.1	173.9	0	0	0	0	111.9	L102 N103 K104 L109 K110 T116 L281 M282	L102-V106 WeakPolarHBondContact O-CG2 3.27Å; L102-V106 PolarHBondContact O-N 3.48Å; L102-V106 VanDerWaalsContact O-N 3.11Å; N103-V106 WeakPolarHBondContact O-CB 3.41Å; N103-V106 PolarHBondContact O-N 3.44Å; K104-V106 VanDerWaalsContact C-N 3.31Å; K104-V106 PolarHBondContact O-N 3.21Å; V106-L109 PolarHBondContact O-N 2.88Å; V106-K110 HydrophobicContact CG1-CD 4.4Å; V106-K110 WeakPolarHBondContact O-CG 3.43Å; V106-K110 PolarHBondContact O-N 3.28Å; V106-T116 HydrophobicContact CB-CG2 4.18Å; V106-T116 HydrophobicContact CG1-CG2 3.54Å; V106-T116 HydrophobicContact CG2-CG2 3.6Å; V106-L281 HydrophobicContact CB-CB 3.99Å; V106-L281 HydrophobicContact CB-CD1 4.14Å; V106-L281 HydrophobicContact CG1-CB 3.91Å; V106-L281 HydrophobicContact CG1-CD1 4.01Å; V106-L281 HydrophobicContact CG2-CB 3.95Å; V106-M282 HydrophobicContact CG2-CE 3.69Å; V106-M282 HydrophobicContact CG2-CG 3.56Å
107	E	98.1	Very high	97	Very high	95 Å²	95	55.1 Å²	55.1	44%	0.444	28%	0.282	S	S	.	.	H	α-helix	trans	-60.4	-45.2	173.7	-70.4	171.3	-166.9	0	0	111.6	N103 K104 K110 S111	N103-E107 PolarHBondContact O-N 3.28Å; K104-E107 WeakPolarHBondContact CD-OE2 3.44Å; K104-E107 IonicContact NZ-OE1 2.73Å; K104-E107 IonicContact NZ-OE2 3.79Å; K104-E107 PolarHBondContact NZ-OE2 2.93Å; K104-E107 WeakPolarHBondContact O-CB 3.25Å; K104-E107 PolarHBondContact O-N 3.23Å; E107-K110 PolarHBondContact O-N 3.07Å; E107-S111 PolarHBondContact O-N 2.77Å; E107-S111 VanDerWaalsContact O-N 3.09Å
108	Q	98.3	Very high	96.9	Very high	65 Å²	65	56 Å²	56	30%	0.304	29%	0.286	S	S	.	.	H	α-helix	trans	-64.1	-38.8	175.1	-69.3	174.3	6.7	0	0	112.4	A71 M72 K104 C105 K110 S111 V112	A71-Q108 HydrophobicContact CB-CB 3.8Å; M72-Q108 PolarHBondContact O-NE2 3.47Å; M72-Q108 PolarHBondContact O-OE1 3.18Å; M72-Q108 VanDerWaalsContact O-OE1 3.1Å; K104-Q108 WeakPolarHBondContact O-CG 3.29Å; K104-Q108 PolarHBondContact O-N 3.48Å; C105-Q108 PolarHBondContact O-N 2.95Å; Q108-K110 VanDerWaalsContact C-N 3.31Å; Q108-K110 PolarHBondContact O-N 3.12Å; Q108-S111 PolarHBondContact O-N 3.28Å; Q108-S111 PolarHBondContact O-OG 3.02Å; Q108-V112 PolarHBondContact O-N 3.14Å
109	L	96.3	Very high	96.8	Very high	1 Å²	1	56.5 Å²	56.5	1%	0.005	29%	0.288	C	S	.	.	H	α-helix	trans	-61.6	-41.5	176.3	-167.4	68.7	0	0	0	111.2	F46 I61 I70 C105 V106 V112 K114 S115 I119	F46-L109 HydrophobicContact CD2-CD1 4.31Å; F46-L109 HydrophobicContact CE2-CD1 4.41Å; I61-L109 HydrophobicContact CD1-CD2 4.36Å; I70-L109 HydrophobicContact CG2-CD1 3.61Å; C105-L109 WeakPolarHBondContact O-CB 3.24Å; C105-L109 PolarHBondContact O-N 2.89Å; V106-L109 PolarHBondContact O-N 2.88Å; L109-V112 VanDerWaalsContact O-CG2 3.24Å; L109-V112 WeakPolarHBondContact O-CG2 3.37Å; L109-V112 PolarHBondContact O-N 2.98Å; L109-K114 CarbonylContact C-O 3.53Å; L109-K114 HydrophobicContact CD1-CB 3.43Å; L109-K114 VanDerWaalsContact CD1-CB 3.43Å; L109-K114 HydrophobicContact CD1-CD 3.96Å; L109-K114 HydrophobicContact CD1-CG 4.33Å; L109-K114 HydrophobicContact CG-CB 3.59Å; L109-K114 WeakPolarHBondContact O-CB 3.36Å; L109-K114 PolarHBondContact O-N 3.09Å; L109-S115 VanDerWaalsContact CD2-C 3.49Å; L109-S115 WeakPolarHBondContact CD2-O 3.49Å; L109-I119 HydrophobicContact CD2-CD1 4.02Å; L109-I119 HydrophobicContact CD2-CG1 4.2Å
110	K	95.4	Very high	96.8	Very high	122 Å²	122	57.1 Å²	57.1	53%	0.53	29%	0.293	S	S	.	.	H	α-helix	trans	-66.4	-35.5	176.2	-71	172.4	-178.3	176.1	0	112.6	V106 E107 Q108 V112 N113	V106-K110 HydrophobicContact CG1-CD 4.4Å; V106-K110 WeakPolarHBondContact O-CG 3.43Å; V106-K110 PolarHBondContact O-N 3.28Å; E107-K110 PolarHBondContact O-N 3.07Å; Q108-K110 VanDerWaalsContact C-N 3.31Å; Q108-K110 PolarHBondContact O-N 3.12Å; K110-V112 PolarHBondContact O-N 3.23Å; K110-N113 PolarHBondContact O-N 3.48Å
111	S	96.2	Very high	96.8	Very high	93 Å²	93	52.6 Å²	52.6	65%	0.65	27%	0.272	S	S	*	.	H	α-helix	trans	-67.4	-18.6	-179.7	73	0	0	0	0	113.4	E107 Q108	E107-S111 PolarHBondContact O-N 2.77Å; E107-S111 VanDerWaalsContact O-N 3.09Å; Q108-S111 PolarHBondContact O-N 3.28Å; Q108-S111 PolarHBondContact O-OG 3.02Å
112	V	94.1	Very high	96.8	Very high	77 Å²	77	52.6 Å²	52.6	47%	0.467	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.7	23.3	172.4	-60.2	0	0	0	0	112.9	I70 Q108 L109 K110 K114	I70-V112 HydrophobicContact CG2-CG2 4.34Å; Q108-V112 PolarHBondContact O-N 3.14Å; L109-V112 VanDerWaalsContact O-CG2 3.24Å; L109-V112 WeakPolarHBondContact O-CG2 3.37Å; L109-V112 PolarHBondContact O-N 2.98Å; K110-V112 PolarHBondContact O-N 3.23Å; V112-K114 HydrophobicContact CG2-CB 4.3Å; V112-K114 HydrophobicContact CG2-CD 3.85Å; V112-K114 HydrophobicContact CG2-CG 4.13Å; V112-K114 PolarHBondContact O-N 2.78Å
113	N	93.3	Very high	96.8	Very high	161 Å²	161	52.6 Å²	52.6	86%	0.861	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.4	29	178.9	-66.2	-35.9	0	0	0	115	K110	K110-N113 PolarHBondContact O-N 3.48Å
114	K	94.3	Very high	96.8	Very high	49 Å²	49	51.1 Å²	51.1	21%	0.213	26%	0.264	C	S	.	.			trans	-104.8	158.4	175.2	-69.2	173	170.8	-170.5	0	111.1	E44 F46 I70 L109 V112	E44-K114 IonicContact OE1-NZ 3.9Å; E44-K114 WeakPolarHBondContact OE2-CE 3.47Å; E44-K114 IonicContact OE2-NZ 2.95Å; E44-K114 PolarHBondContact OE2-NZ 2.85Å; F46-K114 HydrophobicContact CE1-CD 4.12Å; F46-K114 HydrophobicContact CE2-CB 4.19Å; F46-K114 HydrophobicContact CE2-CD 3.8Å; F46-K114 HydrophobicContact CE2-CG 4.14Å; F46-K114 HydrophobicContact CZ-CD 3.4Å; F46-K114 VanDerWaalsContact CZ-CE 3.47Å; F46-K114 HydrophobicContact CZ-CG 4.09Å; I70-K114 VanDerWaalsContact CD1-NZ 3.33Å; I70-K114 HydrophobicContact CG2-CD 3.6Å; L109-K114 CarbonylContact C-O 3.53Å; L109-K114 HydrophobicContact CD1-CB 3.43Å; L109-K114 VanDerWaalsContact CD1-CB 3.43Å; L109-K114 HydrophobicContact CD1-CD 3.96Å; L109-K114 HydrophobicContact CD1-CG 4.33Å; L109-K114 HydrophobicContact CG-CB 3.59Å; L109-K114 WeakPolarHBondContact O-CB 3.36Å; L109-K114 PolarHBondContact O-N 3.09Å; V112-K114 HydrophobicContact CG2-CB 4.3Å; V112-K114 HydrophobicContact CG2-CD 3.85Å; V112-K114 HydrophobicContact CG2-CG 4.13Å; V112-K114 PolarHBondContact O-N 2.78Å
115	S	93.2	Very high	96.8	Very high	43 Å²	43	47.7 Å²	47.7	30%	0.301	25%	0.249	S	C	.	.			trans	-117.6	150	-174.2	-167.5	0	0	0	0	112.8	L109 K117 D118	L109-S115 VanDerWaalsContact CD2-C 3.49Å; L109-S115 WeakPolarHBondContact CD2-O 3.49Å; S115-K117 PolarHBondContact O-N 2.99Å; S115-K117 VanDerWaalsContact O-N 3.16Å; S115-K117 PolarHBondContact OG-N 3.15Å; S115-D118 PolarHBondContact O-N 3.07Å
116	T	95.4	Very high	96.8	Very high	41 Å²	41	47.7 Å²	47.7	25%	0.252	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	-60.5	-20.8	168.5	49.9	0	0	0	0	112.7	V106 D118 I119	V106-T116 HydrophobicContact CB-CG2 4.18Å; V106-T116 HydrophobicContact CG1-CG2 3.54Å; V106-T116 HydrophobicContact CG2-CG2 3.6Å; T116-D118 PolarHBondContact O-N 3.25Å; T116-I119 HydrophobicContact CG2-CD1 4.36Å; T116-I119 WeakPolarHBondContact O-CB 3.47Å; T116-I119 PolarHBondContact O-N 3.13Å; T116-I119 VanDerWaalsContact O-N 3.14Å
117	K	95.2	Very high	96.8	Very high	180 Å²	180	47.6 Å²	47.6	78%	0.783	25%	0.248	S	C	*	.	G	3₁₀ helix	trans	-64	-18.8	173.3	-64.7	-178.4	-179.2	178.5	0	113.7	S115	S115-K117 PolarHBondContact O-N 2.99Å; S115-K117 VanDerWaalsContact O-N 3.16Å; S115-K117 PolarHBondContact OG-N 3.15Å
118	D	96.2	Very high	96.7	Very high	28 Å²	28	43.1 Å²	43.1	15%	0.15	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-93.1	-6.2	178	-61.4	-52.7	0	0	0	112.8	K45 F46 S115 T116 V120	K45-D118 HydrophobicContact CD-CB 4.37Å; K45-D118 IonicContact NZ-OD1 2.86Å; K45-D118 PolarHBondContact NZ-OD1 3.39Å; F46-D118 HydrophobicContact CD2-CB 3.61Å; F46-D118 HydrophobicContact CE2-CB 3.65Å; F46-D118 PolarHBondContact N-O 3.45Å; S115-D118 PolarHBondContact O-N 3.07Å; T116-D118 PolarHBondContact O-N 3.25Å; D118-V120 PolarHBondContact O-N 3.05Å
119	I	98.2	Very high	96.7	Very high	10 Å²	10	40.1 Å²	40.1	5%	0.051	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	111.8	169.7	-56.1	173.7	0	0	0	108.1	F46 A48 I61 L109 T116 G121 M282 I285	F46-I119 HydrophobicContact CB-CG1 4.25Å; F46-I119 CarbonylContact O-C 3.47Å; F46-I119 VanDerWaalsContact O-CA 3.29Å; F46-I119 WeakPolarHBondContact O-CA 3.46Å; A48-I119 HydrophobicContact CB-CG2 4.06Å; I61-I119 HydrophobicContact CD1-CD1 3.95Å; L109-I119 HydrophobicContact CD2-CD1 4.02Å; L109-I119 HydrophobicContact CD2-CG1 4.2Å; T116-I119 HydrophobicContact CG2-CD1 4.36Å; T116-I119 WeakPolarHBondContact O-CB 3.47Å; T116-I119 PolarHBondContact O-N 3.13Å; T116-I119 VanDerWaalsContact O-N 3.14Å; I119-G121 WeakPolarHBondContact CG2-O 3.45Å; I119-M282 HydrophobicContact CD1-CE 3.77Å; I119-M282 HydrophobicContact CD1-SD 4.08Å; I119-I285 HydrophobicContact CB-CD1 3.82Å; I119-I285 HydrophobicContact CD1-CD1 4.04Å; I119-I285 HydrophobicContact CG1-CD1 4.49Å; I119-I285 HydrophobicContact CG2-CD1 3.97Å; I119-I285 HydrophobicContact CG2-CG2 4.1Å
120	V	98.1	Very high	96.8	Very high	34 Å²	34	40.1 Å²	40.1	21%	0.206	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	-20.1	-176.5	-58.6	0	0	0	0	113	K45 F46 I47 I64 D118 L532 I534	K45-V120 HydrophobicContact CB-CG1 4.01Å; K45-V120 HydrophobicContact CD-CG1 4.02Å; K45-V120 HydrophobicContact CG-CG1 4.16Å; F46-V120 WeakPolarHBondContact O-CG2 3.5Å; F46-V120 PolarHBondContact O-N 3.45Å; I47-V120 HydrophobicContact CD1-CG2 4.44Å; I47-V120 HydrophobicContact CG1-CG2 3.72Å; I64-V120 HydrophobicContact CD1-CG2 3.74Å; D118-V120 PolarHBondContact O-N 3.05Å; V120-L532 HydrophobicContact CB-CD1 3.83Å; V120-L532 HydrophobicContact CG2-CD1 3.53Å; V120-I534 HydrophobicContact CG2-CD1 4.26Å
121	G	98.6	Very high	97	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-178.4	169.3	-178.7	0	0	0	0	0	114.3	A48 I119 T286	A48-G121 PolarHBondContact N-O 2.83Å; A48-G121 VanDerWaalsContact N-O 3.09Å; I119-G121 WeakPolarHBondContact CG2-O 3.45Å; G121-T286 CarbonylContact C-O 3.44Å; G121-T286 WeakPolarHBondContact CA-O 3.41Å
122	V	98.9	Very high	97.1	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	131.8	175	-175.2	0	0	0	0	110.9	A48 I50 I275 I285 T286 I287 Y288 V528	A48-V122 HydrophobicContact CB-CG2 4.22Å; A48-V122 CarbonylContact O-C 3.55Å; A48-V122 VanDerWaalsContact O-CA 3.27Å; A48-V122 WeakPolarHBondContact O-CA 3.15Å; I50-V122 HydrophobicContact CD1-CG1 3.77Å; I50-V122 HydrophobicContact CG1-CG1 3.84Å; V122-I275 HydrophobicContact CG2-CD1 3.87Å; V122-I285 HydrophobicContact CG2-CB 4.42Å; V122-I285 HydrophobicContact CG2-CG2 3.72Å; V122-T286 PolarHBondContact N-O 2.84Å; V122-I287 HydrophobicContact CB-CG1 4.41Å; V122-I287 WeakPolarHBondContact O-CA 3.35Å; V122-Y288 PolarHBondContact O-N 3.19Å; V122-V528 WeakPolarHBondContact O-CG2 3.3Å
123	G	98.9	Very high	97.4	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	145.3	167.2	0	0	0	0	0	110.1	A48 A49 I50 G289 V528	A48-G123 PolarHBondContact O-N 3.11Å; A49-G123 CarbonylContact C-O 3.54Å; A49-G123 WeakPolarHBondContact CA-O 3.37Å; I50-G123 PolarHBondContact N-O 3.32Å; G123-G289 CarbonylContact C-O 3.18Å; G123-G289 WeakPolarHBondContact CA-O 3.34Å; G123-V528 VanDerWaalsContact CA-CG2 3.45Å
124	I	98.9	Very high	97.6	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	133.6	178.5	-61	175.5	0	0	0	108.9	I50 L217 I218 L221 I287 G289 I290 L291	I50-I124 HydrophobicContact CB-CG1 4.24Å; I50-I124 HydrophobicContact CD1-CG1 4.2Å; I50-I124 CarbonylContact O-C 3.59Å; I124-L217 HydrophobicContact CG2-CD1 4.27Å; I124-I218 HydrophobicContact CD1-CD1 4.22Å; I124-I218 HydrophobicContact CD1-CG1 3.55Å; I124-L221 HydrophobicContact CD1-CD1 4.37Å; I124-I287 HydrophobicContact CD1-CD1 4.2Å; I124-I287 HydrophobicContact CD1-CG2 3.87Å; I124-I287 HydrophobicContact CG1-CG2 4.26Å; I124-G289 PolarHBondContact N-O 3.21Å; I124-I290 CarbonylContact O-C 3.56Å; I124-I290 VanDerWaalsContact O-CA 3.28Å; I124-I290 WeakPolarHBondContact O-CA 3.35Å; I124-L291 PolarHBondContact O-N 3.31Å
125	T	98.9	Very high	97.8	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	146.1	164.1	179.2	0	0	0	0	110.7	I50 D51 Q52 L291 D293 A296 A524	I50-T125 WeakPolarHBondContact O-CG2 3.34Å; I50-T125 PolarHBondContact O-N 3.5Å; D51-T125 WeakPolarHBondContact CA-O 3.5Å; D51-T125 HydrophobicContact CB-CG2 3.66Å; Q52-T125 PolarHBondContact N-O 2.81Å; T125-L291 WeakPolarHBondContact CA-O 3.33Å; T125-L291 PolarHBondContact OG1-O 3.15Å; T125-D293 WeakPolarHBondContact OG1-CA 3.41Å; T125-D293 PolarHBondContact OG1-N 3.48Å; T125-A296 WeakPolarHBondContact OG1-CB 3.14Å; T125-A524 HydrophobicContact CG2-CB 4.1Å
126	N	98.8	Very high	98.1	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	156.8	-172.9	64.9	-69.2	0	0	0	112.9	Q52 R128 V213 D214 N233 D293	Q52-N126 HydrophobicContact CB-CB 4.36Å; Q52-N126 CarbonylContact O-C 3.59Å; Q52-N126 VanDerWaalsContact O-CA 3.24Å; Q52-N126 WeakPolarHBondContact O-CA 3.49Å; N126-R128 PolarHBondContact O-N 3.41Å; N126-V213 HydrophobicContact CB-CB 3.88Å; N126-V213 HydrophobicContact CB-CG1 3.78Å; N126-D214 PolarHBondContact ND2-N 2.92Å; N126-D214 WeakPolarHBondContact OD1-CB 3.22Å; N126-N233 PolarHBondContact ND2-OD1 3.36Å; N126-N233 PolarHBondContact OD1-ND2 3.29Å; N126-N233 PolarHBondContact OD1-OD1 3.06Å; N126-D293 VanDerWaalsContact O-CB 3.29Å; N126-D293 WeakPolarHBondContact O-CB 3.37Å; N126-D293 PolarHBondContact O-N 3.07Å
127	Q	97.3	Very high	98.2	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.103	C	C	.	.			trans	-56	129.5	161.3	60.9	176.5	-51.6	0	0	109.7	Q52 G53 T54 M89 T130 V213	Q52-Q127 PolarHBondContact O-N 3.1Å; G53-Q127 PolarHBondContact O-NE2 3.22Å; T54-Q127 HydrophobicContact CG2-CB 4.23Å; M89-Q127 PolarHBondContact SD-NE2 3.43Å; M89-Q127 VanDerWaalsContact SD-NE2 3.42Å; Q127-T130 PolarHBondContact OE1-OG1 3.27Å; Q127-V213 HydrophobicContact CG-CG2 3.89Å
128	R	97.3	Very high	98.3	Very high	2 Å²	2	16 Å²	16	1%	0.008	9%	0.089	C	C	.	.	S	Bend	trans	-84.5	169.7	-178.6	-57	173.7	-52.8	157.8	12.7	110	N126 T130 W148 R236 G292 D293 Q294 Q295 E364	N126-R128 PolarHBondContact O-N 3.41Å; R128-T130 PolarHBondContact O-N 3.49Å; R128-W148 WeakPolarHBondContact O-CB 3.21Å; R128-R236 HydrophobicContact CB-CG 4.26Å; R128-G292 VanDerWaalsContact CG-CA 3.47Å; R128-D293 IonicContact NE-OD1 3.85Å; R128-Q294 VanDerWaalsContact NH2-CG 3.33Å; R128-Q295 VanDerWaalsContact NH1-CD 3.25Å; R128-E364 IonicContact CZ-OE1 3.7Å; R128-E364 IonicContact CZ-OE2 3.35Å; R128-E364 IonicContact NH1-OE1 2.98Å; R128-E364 IonicContact NH1-OE2 2.79Å; R128-E364 PolarHBondContact NH1-OE2 2.99Å; R128-E364 VanDerWaalsContact NH2-CD 3.26Å; R128-E364 IonicContact NH2-OE1 2.93Å; R128-E364 PolarHBondContact NH2-OE1 2.8Å; R128-E364 IonicContact NH2-OE2 2.88Å; R128-E364 PolarHBondContact NH2-OE2 3.05Å; R128-E364 VanDerWaalsContact NH2-OE2 3.14Å
129	E	98.1	Very high	98.3	Very high	2 Å²	2	14.7 Å²	14.7	1%	0.009	8%	0.082	C	C	.	.	S	Bend	trans	59.2	-21.6	177.7	-56.5	92	-179.2	0	0	118.9	T131 W148 Y183 F184 S185 R236	E129-T131 PolarHBondContact O-N 3.47Å; E129-T131 PolarHBondContact O-OG1 3.17Å; E129-W148 HydrophobicContact CB-CB 3.77Å; E129-Y183 HydrophobicContact CB-CD2 4.43Å; E129-Y183 HydrophobicContact CB-CE2 4.24Å; E129-Y183 VanDerWaalsContact CB-O 3.28Å; E129-Y183 WeakPolarHBondContact CB-O 3.43Å; E129-Y183 VanDerWaalsContact CD-CE2 3.43Å; E129-Y183 VanDerWaalsContact CD-CZ 3.47Å; E129-Y183 HydrophobicContact CG-CD2 4.25Å; E129-Y183 HydrophobicContact CG-CE2 3.94Å; E129-Y183 PolarHBondContact OE1-OH 3.41Å; E129-Y183 WeakPolarHBondContact OE2-CE2 3.37Å; E129-Y183 PolarHBondContact OE2-OH 2.93Å; E129-F184 HydrophobicContact CG-CD1 4.27Å; E129-S185 VanDerWaalsContact CA-OG 3.29Å; E129-S185 WeakPolarHBondContact CA-OG 3.44Å; E129-S185 PolarHBondContact O-OG 3.38Å; E129-R236 HydrophobicContact CG-CB 3.8Å; E129-R236 WeakPolarHBondContact CG-O 3.36Å; E129-R236 VanDerWaalsContact OE1-CB 3.32Å; E129-R236 WeakPolarHBondContact OE1-CB 3.39Å; E129-R236 IonicContact OE1-CZ 3.28Å; E129-R236 IonicContact OE1-NE 3.67Å; E129-R236 PolarHBondContact OE1-NE 2.8Å; E129-R236 IonicContact OE1-NH2 3.41Å; E129-R236 PolarHBondContact OE1-NH2 3.05Å
130	T	98.6	Very high	98.3	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.099	C	C	.	.			trans	-58.5	119.2	173.9	-68.8	0	0	0	0	109.3	Q127 R128 A145 I146 V147 W148 T212 V213	Q127-T130 PolarHBondContact OE1-OG1 3.27Å; R128-T130 PolarHBondContact O-N 3.49Å; T130-A145 HydrophobicContact CG2-CB 4.1Å; T130-I146 VanDerWaalsContact CA-O 3.3Å; T130-I146 WeakPolarHBondContact CA-O 3.46Å; T130-V147 WeakPolarHBondContact OG1-CA 3.27Å; T130-W148 PolarHBondContact OG1-N 3Å; T130-T212 WeakPolarHBondContact O-CA 3.43Å; T130-V213 HydrophobicContact CG2-CG2 3.9Å
131	T	98.9	Very high	98.4	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.099	C	C	.	.	B	Isolated β-bridge	trans	-100.6	131.2	-170.9	-60.7	0	0	0	0	110.7	E129 A145 I146 S185 K188 M189 L192 F210	E129-T131 PolarHBondContact O-N 3.47Å; E129-T131 PolarHBondContact O-OG1 3.17Å; T131-A145 WeakPolarHBondContact O-CA 3.14Å; T131-I146 PolarHBondContact N-O 2.95Å; T131-I146 PolarHBondContact O-N 2.79Å; T131-S185 VanDerWaalsContact OG1-CB 3.27Å; T131-S185 WeakPolarHBondContact OG1-CB 3.3Å; T131-S185 PolarHBondContact OG1-OG 3.45Å; T131-K188 HydrophobicContact CG2-CB 4.37Å; T131-M189 HydrophobicContact CG2-CE 4.41Å; T131-M189 HydrophobicContact CG2-CG 3.64Å; T131-L192 HydrophobicContact CG2-CD1 4.09Å; T131-F210 HydrophobicContact CG2-CD1 4.12Å
132	I	98.9	Very high	98.4	Very high	1 Å²	1	20 Å²	20	1%	0.005	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	137.4	175.3	-52.2	179.4	0	0	0	108.6	A91 I94 W134 A145 F210 G211 V213 W216	A91-I132 HydrophobicContact CB-CD1 4.19Å; A91-I132 HydrophobicContact CB-CG2 3.78Å; I94-I132 HydrophobicContact CD1-CD1 4.47Å; I132-W134 HydrophobicContact CB-CE3 4.11Å; I132-W134 HydrophobicContact CB-CZ3 4.09Å; I132-W134 HydrophobicContact CG2-CE3 3.82Å; I132-W134 HydrophobicContact CG2-CZ3 4.28Å; I132-W134 WeakPolarHBondContact O-CZ3 3.35Å; I132-A145 HydrophobicContact CD1-CB 4.28Å; I132-A145 HydrophobicContact CG1-CB 3.74Å; I132-F210 WeakPolarHBondContact O-CA 3.49Å; I132-G211 PolarHBondContact N-O 3.36Å; I132-G211 PolarHBondContact O-N 2.9Å; I132-G211 VanDerWaalsContact O-N 3.12Å; I132-V213 HydrophobicContact CD1-CG2 4.22Å; I132-W216 HydrophobicContact CD1-CB 3.63Å; I132-W216 HydrophobicContact CD1-CD2 4.45Å; I132-W216 HydrophobicContact CD1-CG 3.64Å; I132-W216 HydrophobicContact CG2-CD2 4.29Å; I132-W216 HydrophobicContact CG2-CE3 4.31Å; I132-W216 HydrophobicContact CG2-CG 4.45Å
133	A	98.9	Very high	98.3	Very high	2 Å²	2	20.7 Å²	20.7	2%	0.017	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	129.3	171.5	0	0	0	0	0	109.1	L142 L192 V199 L208 L209 F210	A133-L142 HydrophobicContact CB-CB 4.44Å; A133-L142 PolarHBondContact O-N 2.89Å; A133-L192 HydrophobicContact CB-CD1 4.24Å; A133-V199 HydrophobicContact CB-CG1 4.5Å; A133-V199 HydrophobicContact CB-CG2 3.94Å; A133-L208 HydrophobicContact CB-CD1 4.01Å; A133-L209 WeakPolarHBondContact CA-O 3.42Å; A133-F210 HydrophobicContact CB-CD1 3.84Å; A133-F210 HydrophobicContact CB-CE1 3.63Å
134	W	98.8	Very high	98.3	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	162.4	178	66	95.3	0	0	0	111.7	I132 E140 L209 W216 W219 H227	I132-W134 HydrophobicContact CB-CE3 4.11Å; I132-W134 HydrophobicContact CB-CZ3 4.09Å; I132-W134 HydrophobicContact CG2-CE3 3.82Å; I132-W134 HydrophobicContact CG2-CZ3 4.28Å; I132-W134 WeakPolarHBondContact O-CZ3 3.35Å; W134-E140 WeakPolarHBondContact CA-O 3.34Å; W134-E140 VanDerWaalsContact CB-O 3.31Å; W134-E140 WeakPolarHBondContact CB-O 3.2Å; W134-L209 HydrophobicContact CD2-CB 4.09Å; W134-L209 HydrophobicContact CG-CB 4.42Å; W134-L209 HydrophobicContact CZ2-CB 3.87Å; W134-L209 HydrophobicContact CZ2-CD1 4.42Å; W134-L209 PolarHBondContact N-O 3.24Å; W134-L209 PolarHBondContact O-N 2.91Å; W134-W216 HydrophobicContact CB-CE3 4.27Å; W134-W216 HydrophobicContact CB-CZ3 3.67Å; W134-W216 AromaticContact CD2-CE3 3.73Å; W134-W216 HydrophobicContact CD2-CE3 3.73Å; W134-W216 AromaticContact CD2-CZ3 3.98Å; W134-W216 HydrophobicContact CD2-CZ3 3.98Å; W134-W216 AromaticContact CE3-CE3 3.85Å; W134-W216 HydrophobicContact CE3-CE3 3.85Å; W134-W216 HydrophobicContact CE3-CZ3 4.42Å; W134-W216 AromaticContact CG-CE3 3.94Å; W134-W216 HydrophobicContact CG-CE3 3.94Å; W134-W216 AromaticContact CG-CZ3 3.66Å; W134-W216 HydrophobicContact CG-CZ3 3.66Å; W134-W216 HydrophobicContact CZ3-CB 4.42Å; W134-W216 HydrophobicContact CZ3-CE3 4.43Å; W134-W219 AromaticContact CD1-CD1 3.92Å; W134-W219 AromaticContact CD1-CE2 3.99Å; W134-W219 AromaticContact CD1-NE1 3.59Å; W134-W219 HydrophobicContact CZ2-CB 4.34Å; W134-W219 HydrophobicContact CZ2-CG 4.34Å; W134-W219 AromaticContact NE1-CD1 3.49Å; W134-W219 AromaticContact NE1-CD2 3.6Å; W134-W219 AromaticContact NE1-CE2 3.46Å; W134-W219 AromaticContact NE1-CG 3.63Å; W134-W219 AromaticContact NE1-NE1 3.38Å; W134-H227 AromaticContact CH2-CD2 3.98Å; W134-H227 AromaticContact CH2-NE2 3.89Å; W134-H227 AromaticContact CZ2-CD2 3.53Å; W134-H227 AromaticContact CZ2-NE2 3.72Å
135	N	98.6	Very high	98.3	Very high	22 Å²	22	23.7 Å²	23.7	12%	0.118	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	130.4	177.7	-175.2	-62.4	0	0	0	110.5	E137 T138 G139 E140 L142 K207	N135-E137 VanDerWaalsContact C-N 3.31Å; N135-E137 PolarHBondContact O-N 2.96Å; N135-E137 WeakPolarHBondContact OD1-CA 3.39Å; N135-E137 WeakPolarHBondContact OD1-CB 3.43Å; N135-E137 PolarHBondContact OD1-N 3.49Å; N135-T138 WeakPolarHBondContact CB-OG1 3.03Å; N135-T138 PolarHBondContact OD1-N 2.91Å; N135-T138 VanDerWaalsContact OD1-N 3.11Å; N135-G139 VanDerWaalsContact O-CA 3.27Å; N135-G139 WeakPolarHBondContact O-CA 3.33Å; N135-G139 PolarHBondContact O-N 3.45Å; N135-E140 PolarHBondContact N-O 2.84Å; N135-L142 HydrophobicContact CB-CD2 4.11Å; N135-L142 HydrophobicContact CB-CG 4.4Å; N135-K207 CarbonylContact C-O 3.57Å; N135-K207 VanDerWaalsContact CA-O 3.28Å; N135-K207 WeakPolarHBondContact CA-O 3.41Å
136	S	98.2	Very high	98.3	Very high	36 Å²	36	23.7 Å²	23.7	25%	0.252	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-22.3	-177.9	62.7	0	0	0	0	114.7	K207 Q224	S136-K207 PolarHBondContact N-O 2.79Å; S136-K207 WeakPolarHBondContact OG-CA 3.44Å; S136-K207 PolarHBondContact OG-O 3.48Å; S136-Q224 PolarHBondContact O-OE1 3.27Å
137	E	97.1	Very high	98.2	Very high	122 Å²	122	23.7 Å²	23.7	57%	0.57	13%	0.133	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.4	-44	-179.5	-64.8	179.1	171.6	0	0	111.6	N135 K207	N135-E137 VanDerWaalsContact C-N 3.31Å; N135-E137 PolarHBondContact O-N 2.96Å; N135-E137 WeakPolarHBondContact OD1-CA 3.39Å; N135-E137 WeakPolarHBondContact OD1-CB 3.43Å; N135-E137 PolarHBondContact OD1-N 3.49Å; E137-K207 VanDerWaalsContact CD-CE 3.42Å; E137-K207 VanDerWaalsContact CD-NZ 3.33Å; E137-K207 HydrophobicContact CG-CD 4.32Å; E137-K207 HydrophobicContact CG-CG 4.35Å; E137-K207 WeakPolarHBondContact OE1-CE 3.45Å; E137-K207 IonicContact OE1-NZ 2.8Å; E137-K207 PolarHBondContact OE1-NZ 3.14Å; E137-K207 WeakPolarHBondContact OE2-CD 3.39Å; E137-K207 VanDerWaalsContact OE2-CE 3.26Å; E137-K207 WeakPolarHBondContact OE2-CE 3.33Å; E137-K207 IonicContact OE2-NZ 2.73Å; E137-K207 PolarHBondContact OE2-NZ 2.94Å
138	T	97.4	Very high	98.1	Very high	78 Å²	78	24.2 Å²	24.2	48%	0.479	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-25.3	-177.9	69.2	0	0	0	0	112.5	N135 E140	N135-T138 WeakPolarHBondContact CB-OG1 3.03Å; N135-T138 PolarHBondContact OD1-N 2.91Å; N135-T138 VanDerWaalsContact OD1-N 3.11Å; T138-E140 PolarHBondContact O-N 3.23Å; T138-E140 PolarHBondContact OG1-N 2.91Å
139	G	97.2	Very high	97.8	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.139	C	C	.	.			trans	70.1	16.5	-173.6	0	0	0	0	0	114	N135 K220	N135-G139 VanDerWaalsContact O-CA 3.27Å; N135-G139 WeakPolarHBondContact O-CA 3.33Å; N135-G139 PolarHBondContact O-N 3.45Å; G139-K220 PolarHBondContact O-NZ 3.46Å
140	E	98.4	Very high	97.6	Very high	90 Å²	90	24.8 Å²	24.8	42%	0.421	14%	0.139	S	C	.	.			trans	-98.6	142.9	-179.1	-68.2	-56.2	127.2	0	0	112.3	N92 W134 N135 T138 K220	N92-E140 PolarHBondContact ND2-OE2 2.78Å; W134-E140 WeakPolarHBondContact CA-O 3.34Å; W134-E140 VanDerWaalsContact CB-O 3.31Å; W134-E140 WeakPolarHBondContact CB-O 3.2Å; N135-E140 PolarHBondContact N-O 2.84Å; T138-E140 PolarHBondContact O-N 3.23Å; T138-E140 PolarHBondContact OG1-N 2.91Å; E140-K220 IonicContact OE1-NZ 3.79Å
141	P	98.7	Very high	97.2	Very high	31 Å²	31	25.7 Å²	25.7	20%	0.201	15%	0.147	C	C	.	.	B	Isolated β-bridge	trans	-60.5	139.2	173.8	-18.6	31.5	0	0	0	111.6	A91 W216	A91-P141 HydrophobicContact CB-CB 4.05Å; A91-P141 HydrophobicContact CB-CG 3.78Å; P141-W216 HydrophobicContact CG-CH2 3.65Å; P141-W216 HydrophobicContact CG-CZ2 3.87Å; P141-W216 HydrophobicContact CG-CZ3 4.5Å
142	L	98.8	Very high	97	Very high	33 Å²	33	26.8 Å²	26.8	17%	0.173	15%	0.151	C	C	.	.	S	Bend	trans	-90.7	-17.9	177.9	-67.3	167	0	0	0	112.6	A133 N135 S198 V199 A202 L208	A133-L142 HydrophobicContact CB-CB 4.44Å; A133-L142 PolarHBondContact O-N 2.89Å; N135-L142 HydrophobicContact CB-CD2 4.11Å; N135-L142 HydrophobicContact CB-CG 4.4Å; L142-S198 PolarHBondContact O-OG 2.93Å; L142-V199 HydrophobicContact CB-CG2 3.8Å; L142-V199 HydrophobicContact CD1-CG2 4.5Å; L142-A202 HydrophobicContact CD1-CB 3.49Å; L142-A202 VanDerWaalsContact CD1-CB 3.49Å; L142-A202 HydrophobicContact CD2-CB 4.25Å; L142-L208 HydrophobicContact CD1-CD1 3.68Å
143	A	98.4	Very high	96.9	Very high	15 Å²	15	26.7 Å²	26.7	12%	0.124	15%	0.15	C	C	.	.	S	Bend	trans	-157.6	165.5	-179.8	0	0	0	0	0	110	L192 V196 V199	A143-L192 HydrophobicContact CB-CD2 3.91Å; A143-V196 HydrophobicContact CB-CG1 4.12Å; A143-V199 HydrophobicContact CB-CG2 4.42Å
144	P	98.5	Very high	96.5	Very high	63 Å²	63	27.8 Å²	27.8	41%	0.409	16%	0.159	S	C	.	.			trans	-55.4	147.2	163.8	-23	34.3	0	0	0	111.7	E88 I146	E88-P144 HydrophobicContact CB-CB 3.94Å; E88-P144 HydrophobicContact CG-CB 4.2Å; P144-I146 PolarHBondContact O-N 2.77Å
145	A	98.7	Very high	96	Very high	0 Å²	0	33 Å²	33	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	130	172.7	0	0	0	0	0	109.8	E88 M89 I94 T130 T131 I132	E88-A145 VanDerWaalsContact CA-O 3.28Å; E88-A145 WeakPolarHBondContact CA-O 3.29Å; M89-A145 HydrophobicContact CB-CB 4.31Å; M89-A145 PolarHBondContact N-O 2.98Å; M89-A145 WeakPolarHBondContact O-CB 3.21Å; M89-A145 PolarHBondContact O-N 3.39Å; I94-A145 HydrophobicContact CD1-CB 4.35Å; T130-A145 HydrophobicContact CG2-CB 4.1Å; T131-A145 WeakPolarHBondContact O-CA 3.14Å; I132-A145 HydrophobicContact CD1-CB 4.28Å; I132-A145 HydrophobicContact CG1-CB 3.74Å
146	I	98.6	Very high	95.8	Very high	1 Å²	1	33.3 Å²	33.3	1%	0.005	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	111.9	176	-59.1	179.1	0	0	0	108.2	T130 T131 P144 D150 K188 W191 L192	T130-I146 VanDerWaalsContact CA-O 3.3Å; T130-I146 WeakPolarHBondContact CA-O 3.46Å; T131-I146 PolarHBondContact N-O 2.95Å; T131-I146 PolarHBondContact O-N 2.79Å; P144-I146 PolarHBondContact O-N 2.77Å; I146-D150 HydrophobicContact CG2-CB 3.65Å; I146-K188 HydrophobicContact CB-CB 4.43Å; I146-K188 HydrophobicContact CB-CD 4.11Å; I146-K188 HydrophobicContact CB-CG 4.42Å; I146-K188 HydrophobicContact CD1-CB 4.35Å; I146-K188 HydrophobicContact CG2-CB 4.33Å; I146-K188 HydrophobicContact CG2-CD 3.68Å; I146-K188 HydrophobicContact CG2-CG 3.86Å; I146-W191 HydrophobicContact CD1-CE3 3.75Å; I146-W191 HydrophobicContact CD1-CZ3 4.09Å; I146-L192 HydrophobicContact CD1-CD1 4.01Å; I146-L192 HydrophobicContact CD1-CD2 3.72Å; I146-L192 HydrophobicContact CD1-CG 3.64Å; I146-L192 HydrophobicContact CG1-CD2 4.36Å
147	V	97	Very high	95.7	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.18	C	C	.	.			trans	-66.9	146.8	-174.8	179.9	0	0	0	0	110.9	I87 M89 T130 S149 D150 K188	I87-V147 HydrophobicContact CB-CB 4.04Å; I87-V147 HydrophobicContact CB-CG2 4.43Å; I87-V147 HydrophobicContact CG2-CB 3.75Å; I87-V147 HydrophobicContact CG2-CG1 4.09Å; I87-V147 HydrophobicContact CG2-CG2 3.81Å; I87-V147 WeakPolarHBondContact O-CB 3.29Å; I87-V147 PolarHBondContact O-N 3.15Å; M89-V147 HydrophobicContact CB-CG2 4.27Å; M89-V147 HydrophobicContact CG-CG2 3.54Å; M89-V147 HydrophobicContact SD-CG2 3.75Å; T130-V147 WeakPolarHBondContact OG1-CA 3.27Å; V147-S149 PolarHBondContact O-N 3.36Å; V147-S149 VanDerWaalsContact O-N 3.11Å; V147-D150 WeakPolarHBondContact O-CB 3.38Å; V147-D150 PolarHBondContact O-N 2.77Å; V147-K188 WeakPolarHBondContact O-CE 3.21Å
148	W	95.4	Very high	95.5	Very high	10 Å²	10	30.9 Å²	30.9	4%	0.038	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.3	-39.7	-176.9	64	-94.9	0	0	0	115.2	R128 E129 T130 D150 Y183 K188 F329 F419	R128-W148 WeakPolarHBondContact O-CB 3.21Å; E129-W148 HydrophobicContact CB-CB 3.77Å; T130-W148 PolarHBondContact OG1-N 3Å; W148-D150 VanDerWaalsContact C-N 3.28Å; W148-D150 PolarHBondContact O-N 3.29Å; W148-Y183 HydrophobicContact CB-CD2 4.24Å; W148-Y183 HydrophobicContact CB-CE2 3.93Å; W148-Y183 HydrophobicContact CD2-CE2 4.02Å; W148-Y183 AromaticContact CE3-CD2 3.8Å; W148-Y183 HydrophobicContact CE3-CD2 3.8Å; W148-Y183 AromaticContact CE3-CE2 3.37Å; W148-Y183 HydrophobicContact CE3-CE2 3.37Å; W148-Y183 HydrophobicContact CG-CE2 4.28Å; W148-Y183 HydrophobicContact CZ3-CE2 4.22Å; W148-Y183 WeakPolarHBondContact O-CD2 3.32Å; W148-K188 PolarHBondContact O-NZ 3.25Å; W148-F329 AromaticContact CH2-CZ 3.76Å; W148-F329 HydrophobicContact CH2-CZ 3.76Å; W148-F329 HydrophobicContact CZ2-CZ 4.06Å; W148-F329 HydrophobicContact CZ3-CZ 4.08Å; W148-F419 HydrophobicContact CE3-CE2 4.07Å; W148-F419 AromaticContact CZ3-CE2 3.72Å; W148-F419 HydrophobicContact CZ3-CE2 3.72Å; W148-F419 HydrophobicContact CZ3-CZ 4.41Å
149	S	90.9	Very high	95.4	Very high	15 Å²	15	31.2 Å²	31.2	11%	0.105	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	1	-178.8	54.9	0	0	0	0	114.6	I87 V147	I87-S149 VanDerWaalsContact CD1-OG 3.26Å; I87-S149 WeakPolarHBondContact CD1-OG 3.42Å; V147-S149 PolarHBondContact O-N 3.36Å; V147-S149 VanDerWaalsContact O-N 3.11Å
150	D	93.1	Very high	95.4	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.005	17%	0.168	C	C	.	.			trans	-63.9	134.1	176.4	-174.5	-63.9	0	0	0	111.1	W86 I87 I146 V147 W148 R152	W86-D150 VanDerWaalsContact CA-OD2 3.24Å; W86-D150 WeakPolarHBondContact CA-OD2 3.36Å; I87-D150 HydrophobicContact CB-CB 4.4Å; I87-D150 PolarHBondContact N-OD2 3.22Å; I146-D150 HydrophobicContact CG2-CB 3.65Å; V147-D150 WeakPolarHBondContact O-CB 3.38Å; V147-D150 PolarHBondContact O-N 2.77Å; W148-D150 VanDerWaalsContact C-N 3.28Å; W148-D150 PolarHBondContact O-N 3.29Å; D150-R152 VanDerWaalsContact CG-NE 3.33Å; D150-R152 WeakPolarHBondContact OD1-CB 3.37Å; D150-R152 WeakPolarHBondContact OD1-CG 3.28Å; D150-R152 PolarHBondContact OD1-N 2.97Å; D150-R152 IonicContact OD1-NE 2.99Å; D150-R152 PolarHBondContact OD1-NE 3.34Å; D150-R152 IonicContact OD2-CZ 3.87Å; D150-R152 VanDerWaalsContact OD2-CZ 3.27Å; D150-R152 IonicContact OD2-NE 2.73Å; D150-R152 PolarHBondContact OD2-NE 2.87Å; D150-R152 IonicContact OD2-NH2 3.14Å; D150-R152 PolarHBondContact OD2-NH2 3.02Å
151	A	91.6	Very high	95.4	Very high	19 Å²	19	28.7 Å²	28.7	16%	0.157	16%	0.156	C	C	.	.			trans	-108.7	12.1	-175.5	0	0	0	0	0	113.6	G85 T153 A154	G85-A151 PolarHBondContact O-N 3.29Å; A151-T153 PolarHBondContact O-N 3.05Å; A151-T153 VanDerWaalsContact O-N 3.09Å; A151-A154 WeakPolarHBondContact O-CB 3.26Å; A151-A154 PolarHBondContact O-N 3.3Å; A151-A154 VanDerWaalsContact O-N 3.09Å
152	R	94.3	Very high	95.3	Very high	23 Å²	23	35.3 Å²	35.3	9%	0.087	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-23.3	-177.2	79.6	-176.6	64.9	-164.9	-5.4	113.6	W86 E88 D150 A154 W191	W86-R152 HydrophobicContact CD2-CB 3.94Å; W86-R152 VanDerWaalsContact CE2-CB 3.49Å; W86-R152 VanDerWaalsContact CE3-NH1 3.25Å; W86-R152 HydrophobicContact CG-CB 4Å; W86-R152 HydrophobicContact CZ2-CB 4.05Å; E88-R152 IonicContact OE1-CZ 2.68Å; E88-R152 VanDerWaalsContact OE1-CZ 3.29Å; E88-R152 IonicContact OE1-NH1 2.71Å; E88-R152 PolarHBondContact OE1-NH1 3.26Å; E88-R152 IonicContact OE1-NH2 3.23Å; E88-R152 PolarHBondContact OE1-NH2 2.9Å; D150-R152 VanDerWaalsContact CG-NE 3.33Å; D150-R152 WeakPolarHBondContact OD1-CB 3.37Å; D150-R152 WeakPolarHBondContact OD1-CG 3.28Å; D150-R152 PolarHBondContact OD1-N 2.97Å; D150-R152 IonicContact OD1-NE 2.99Å; D150-R152 PolarHBondContact OD1-NE 3.34Å; D150-R152 IonicContact OD2-CZ 3.87Å; D150-R152 VanDerWaalsContact OD2-CZ 3.27Å; D150-R152 IonicContact OD2-NE 2.73Å; D150-R152 PolarHBondContact OD2-NE 2.87Å; D150-R152 IonicContact OD2-NH2 3.14Å; D150-R152 PolarHBondContact OD2-NH2 3.02Å; R152-A154 VanDerWaalsContact C-N 3.34Å; R152-W191 HydrophobicContact CG-CD2 4.18Å; R152-W191 HydrophobicContact CG-CG 4.33Å
153	T	95.3	Very high	95.2	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	9.5	-178.9	57.5	0	0	0	0	113.2	A151 D155 D156 V157 S182 L187 W191	A151-T153 PolarHBondContact O-N 3.05Å; A151-T153 VanDerWaalsContact O-N 3.09Å; T153-D155 PolarHBondContact O-N 3.2Å; T153-D156 CarbonylContact O-C 3.51Å; T153-D156 WeakPolarHBondContact O-CA 3.24Å; T153-D156 WeakPolarHBondContact O-CB 3.46Å; T153-D156 PolarHBondContact O-N 2.9Å; T153-V157 WeakPolarHBondContact O-CG2 3.39Å; T153-V157 PolarHBondContact O-N 3.13Å; T153-S182 VanDerWaalsContact OG1-CA 3.23Å; T153-S182 WeakPolarHBondContact OG1-CA 3.42Å; T153-S182 WeakPolarHBondContact OG1-CB 3.37Å; T153-L187 HydrophobicContact CG2-CB 4.12Å; T153-W191 HydrophobicContact CG2-CB 3.77Å; T153-W191 HydrophobicContact CG2-CG 4.09Å
154	A	90.6	Very high	95.2	Very high	24 Å²	24	38 Å²	38	20%	0.198	19%	0.19	C	C	.	.	H	α-helix	trans	-56.6	-33.2	-179.9	0	0	0	0	0	113.7	A151 R152 V157 E425	A151-A154 WeakPolarHBondContact O-CB 3.26Å; A151-A154 PolarHBondContact O-N 3.3Å; A151-A154 VanDerWaalsContact O-N 3.09Å; R152-A154 VanDerWaalsContact C-N 3.34Å; A154-V157 WeakPolarHBondContact O-CB 3.19Å; A154-E425 WeakPolarHBondContact CB-OE2 3.28Å
155	D	90.1	Very high	95.1	Very high	111 Å²	111	39 Å²	39	59%	0.594	20%	0.196	S	C	*	.	H	α-helix	trans	-78.1	-32.8	174.5	-74.8	-28.7	0	0	0	112.6	T153 V157 K158 K159	T153-D155 PolarHBondContact O-N 3.2Å; D155-V157 VanDerWaalsContact C-N 3.31Å; D155-V157 PolarHBondContact O-N 2.81Å; D155-K158 PolarHBondContact O-N 3.35Å; D155-K158 IonicContact OD1-NZ 3.43Å; D155-K158 PolarHBondContact OD1-NZ 2.87Å; D155-K159 PolarHBondContact O-N 3.39Å; D155-K159 VanDerWaalsContact O-N 3.09Å
156	D	94.6	Very high	94.9	Very high	28 Å²	28	42.3 Å²	42.3	15%	0.15	23%	0.23	C	C	.	.	H	α-helix	trans	-63.5	-38.1	171	-64.7	-47.9	0	0	0	111.1	T153 K158 K159 F160 L187	T153-D156 CarbonylContact O-C 3.51Å; T153-D156 WeakPolarHBondContact O-CA 3.24Å; T153-D156 WeakPolarHBondContact O-CB 3.46Å; T153-D156 PolarHBondContact O-N 2.9Å; D156-K158 VanDerWaalsContact C-N 3.31Å; D156-K158 PolarHBondContact O-N 2.66Å; D156-K159 CarbonylContact O-C 3.52Å; D156-K159 WeakPolarHBondContact O-CA 3.28Å; D156-K159 WeakPolarHBondContact O-CB 3.37Å; D156-K159 PolarHBondContact O-N 2.82Å; D156-F160 HydrophobicContact CB-CD2 4.21Å; D156-F160 HydrophobicContact CB-CE2 4.31Å; D156-F160 VanDerWaalsContact O-CD2 3.23Å; D156-F160 WeakPolarHBondContact O-CD2 3.26Å; D156-F160 PolarHBondContact O-N 3.47Å; D156-L187 HydrophobicContact CB-CD2 4.45Å
157	V	94.8	Very high	94.8	Very high	10 Å²	10	46.8 Å²	46.8	6%	0.061	25%	0.254	C	S	.	.	H	α-helix	trans	-52.3	-50.1	173.1	172.6	0	0	0	0	110.5	T153 A154 D155 K159 F160 I161 I180 S182 L187	T153-V157 WeakPolarHBondContact O-CG2 3.39Å; T153-V157 PolarHBondContact O-N 3.13Å; A154-V157 WeakPolarHBondContact O-CB 3.19Å; D155-V157 VanDerWaalsContact C-N 3.31Å; D155-V157 PolarHBondContact O-N 2.81Å; V157-K159 VanDerWaalsContact C-N 3.33Å; V157-K159 PolarHBondContact O-N 2.67Å; V157-F160 PolarHBondContact O-N 3.47Å; V157-I161 HydrophobicContact CG1-CD1 3.61Å; V157-I161 HydrophobicContact CG1-CG1 4.35Å; V157-I161 WeakPolarHBondContact O-CB 3.37Å; V157-I161 WeakPolarHBondContact O-CG1 3.23Å; V157-I161 PolarHBondContact O-N 3.4Å; V157-I180 HydrophobicContact CG1-CG2 4.45Å; V157-S182 VanDerWaalsContact CG2-N 3.25Å; V157-L187 HydrophobicContact CB-CD1 4.45Å; V157-L187 HydrophobicContact CG2-CD1 3.45Å; V157-L187 VanDerWaalsContact CG2-CD1 3.45Å
158	K	92.8	Very high	94.7	Very high	97 Å²	97	52.7 Å²	52.7	42%	0.422	28%	0.28	S	S	.	.	H	α-helix	trans	-62	-41.3	178	-60.4	169.6	-167.5	155.1	0	111.7	D155 D156 R162	D155-K158 PolarHBondContact O-N 3.35Å; D155-K158 IonicContact OD1-NZ 3.43Å; D155-K158 PolarHBondContact OD1-NZ 2.87Å; D156-K158 VanDerWaalsContact C-N 3.31Å; D156-K158 PolarHBondContact O-N 2.66Å; K158-R162 WeakPolarHBondContact O-CG 3.29Å; K158-R162 PolarHBondContact O-N 3.23Å
159	K	95.6	Very high	94.6	Very high	85 Å²	85	54.8 Å²	54.8	37%	0.37	30%	0.296	S	S	.	.	H	α-helix	trans	-61.8	-49.5	177.9	177.3	-175.2	170.9	-171.9	0	111.4	D155 D156 V157 R162	D155-K159 PolarHBondContact O-N 3.39Å; D155-K159 VanDerWaalsContact O-N 3.09Å; D156-K159 CarbonylContact O-C 3.52Å; D156-K159 WeakPolarHBondContact O-CA 3.28Å; D156-K159 WeakPolarHBondContact O-CB 3.37Å; D156-K159 PolarHBondContact O-N 2.82Å; V157-K159 VanDerWaalsContact C-N 3.33Å; V157-K159 PolarHBondContact O-N 2.67Å; K159-R162 PolarHBondContact O-N 3.05Å
160	F	97.9	Very high	94.8	Very high	1 Å²	1	56.9 Å²	56.9	0%	0.004	31%	0.306	C	S	.	.	H	α-helix	trans	-68.9	-37.6	-179.5	-79.7	-72.2	0	0	0	112.3	D156 V157 R162 I163 A164 I180 L187 N190 F254 F255	D156-F160 HydrophobicContact CB-CD2 4.21Å; D156-F160 HydrophobicContact CB-CE2 4.31Å; D156-F160 VanDerWaalsContact O-CD2 3.23Å; D156-F160 WeakPolarHBondContact O-CD2 3.26Å; D156-F160 PolarHBondContact O-N 3.47Å; V157-F160 PolarHBondContact O-N 3.47Å; F160-R162 VanDerWaalsContact C-N 3.31Å; F160-R162 PolarHBondContact O-N 3.22Å; F160-I163 HydrophobicContact CD1-CD1 4.01Å; F160-I163 HydrophobicContact CD1-CG1 4.48Å; F160-I163 HydrophobicContact CE1-CD1 4.39Å; F160-I163 WeakPolarHBondContact O-CG1 3.49Å; F160-I163 PolarHBondContact O-N 2.83Å; F160-A164 WeakPolarHBondContact O-CB 3.03Å; F160-A164 PolarHBondContact O-N 2.88Å; F160-I180 HydrophobicContact CB-CG2 3.91Å; F160-L187 HydrophobicContact CB-CD2 4.5Å; F160-L187 HydrophobicContact CD2-CD2 3.18Å; F160-L187 HydrophobicContact CE2-CD2 3.48Å; F160-L187 VanDerWaalsContact CE2-CD2 3.48Å; F160-L187 HydrophobicContact CG-CD2 3.96Å; F160-L187 HydrophobicContact CZ-CD2 4.44Å; F160-N190 HydrophobicContact CZ-CB 4.5Å; F160-F254 HydrophobicContact CB-CE1 4.24Å; F160-F254 HydrophobicContact CD1-CD1 4.12Å; F160-F254 AromaticContact CD1-CE1 3.54Å; F160-F254 HydrophobicContact CD1-CE1 3.54Å; F160-F254 HydrophobicContact CD1-CZ 4.08Å; F160-F254 HydrophobicContact CE1-CE1 4.37Å; F160-F254 WeakPolarHBondContact CE1-O 3.4Å; F160-F254 HydrophobicContact CG-CE1 4.32Å; F160-F255 HydrophobicContact CB-CE1 4.31Å; F160-F255 AromaticContact CD1-CD1 3.8Å; F160-F255 HydrophobicContact CD1-CD1 3.8Å; F160-F255 AromaticContact CD1-CE1 3.95Å; F160-F255 HydrophobicContact CD1-CE1 3.95Å; F160-F255 HydrophobicContact CD2-CD1 4.44Å; F160-F255 AromaticContact CE1-CD1 3.79Å; F160-F255 HydrophobicContact CE1-CD1 3.79Å; F160-F255 HydrophobicContact CE1-CE1 4.41Å; F160-F255 HydrophobicContact CE2-CD1 4.43Å; F160-F255 HydrophobicContact CG-CD1 4.14Å; F160-F255 HydrophobicContact CG-CE1 4.02Å; F160-F255 HydrophobicContact CZ-CD1 4.11Å
161	I	96.8	Very high	94.9	Very high	35 Å²	35	58.4 Å²	58.4	18%	0.179	32%	0.319	C	S	.	.	H	α-helix	trans	-57.8	-44	173.5	-71.2	171	0	0	0	111	V157 I163 A164 N167 I180	V157-I161 HydrophobicContact CG1-CD1 3.61Å; V157-I161 HydrophobicContact CG1-CG1 4.35Å; V157-I161 WeakPolarHBondContact O-CB 3.37Å; V157-I161 WeakPolarHBondContact O-CG1 3.23Å; V157-I161 PolarHBondContact O-N 3.4Å; I161-I163 VanDerWaalsContact C-N 3.26Å; I161-I163 PolarHBondContact O-N 2.81Å; I161-A164 WeakPolarHBondContact O-CB 3.41Å; I161-A164 PolarHBondContact O-N 3.3Å; I161-A164 VanDerWaalsContact O-N 3.15Å; I161-N167 WeakPolarHBondContact CG2-OD1 3.22Å; I161-N167 VanDerWaalsContact O-CA 3.3Å; I161-N167 WeakPolarHBondContact O-CA 2.89Å; I161-N167 PolarHBondContact O-OD1 2.85Å; I161-I180 HydrophobicContact CG1-CB 4.1Å; I161-I180 HydrophobicContact CG1-CD1 4.29Å; I161-I180 HydrophobicContact CG1-CG2 4.17Å
162	R	96.9	Very high	95.2	Very high	170 Å²	170	58.4 Å²	58.4	64%	0.642	32%	0.315	S	S	*	.	H	α-helix	trans	-59.1	-33	179.8	-76	-174.8	-61.4	-151.7	0.5	114.5	K158 K159 F160 N167	K158-R162 WeakPolarHBondContact O-CG 3.29Å; K158-R162 PolarHBondContact O-N 3.23Å; K159-R162 PolarHBondContact O-N 3.05Å; F160-R162 VanDerWaalsContact C-N 3.31Å; F160-R162 PolarHBondContact O-N 3.22Å; R162-N167 VanDerWaalsContact CA-OD1 3.25Å; R162-N167 WeakPolarHBondContact CA-OD1 3.31Å; R162-N167 PolarHBondContact N-OD1 3.42Å
163	I	97.3	Very high	95.2	Very high	100 Å²	100	58.1 Å²	58.1	51%	0.513	32%	0.315	S	S	.	.	H	α-helix	trans	-98.7	-7	-179.5	63.6	169.6	0	0	0	112.8	F160 I161 F254	F160-I163 HydrophobicContact CD1-CD1 4.01Å; F160-I163 HydrophobicContact CD1-CG1 4.48Å; F160-I163 HydrophobicContact CE1-CD1 4.39Å; F160-I163 WeakPolarHBondContact O-CG1 3.49Å; F160-I163 PolarHBondContact O-N 2.83Å; I161-I163 VanDerWaalsContact C-N 3.26Å; I161-I163 PolarHBondContact O-N 2.81Å; I163-F254 HydrophobicContact CD1-CE2 4.13Å; I163-F254 HydrophobicContact CD1-CZ 4.15Å; I163-F254 HydrophobicContact CG1-CE2 3.87Å; I163-F254 HydrophobicContact CG1-CZ 3.75Å
164	A	97.8	Very high	95.2	Very high	6 Å²	6	62 Å²	62	5%	0.05	34%	0.335	C	S	.	.	S	Bend	trans	-71.3	153.8	177	0	0	0	0	0	111.4	F160 I161 G166 N167 A171 F172 I180 F254	F160-A164 WeakPolarHBondContact O-CB 3.03Å; F160-A164 PolarHBondContact O-N 2.88Å; I161-A164 WeakPolarHBondContact O-CB 3.41Å; I161-A164 PolarHBondContact O-N 3.3Å; I161-A164 VanDerWaalsContact O-N 3.15Å; A164-G166 PolarHBondContact O-N 3.32Å; A164-G166 VanDerWaalsContact O-N 3.16Å; A164-N167 PolarHBondContact O-N 3.21Å; A164-A171 HydrophobicContact CB-CB 3.79Å; A164-F172 HydrophobicContact CB-CE2 4.39Å; A164-F172 HydrophobicContact CB-CZ 4.42Å; A164-I180 HydrophobicContact CB-CD1 3.64Å; A164-F254 HydrophobicContact CB-CE2 4.47Å; A164-F254 HydrophobicContact CB-CZ 3.89Å
165	P	96.2	Very high	95.6	Very high	83 Å²	83	63.3 Å²	63.3	54%	0.539	34%	0.338	S	S	.	.	G	3₁₀ helix	trans	-49.3	122.4	174.6	-29.2	34.9	0	0	0	112.9	N167 A171 F172	P165-N167 PolarHBondContact O-N 2.82Å; P165-A171 HydrophobicContact CB-CB 4.3Å; P165-A171 HydrophobicContact CG-CB 4.47Å; P165-A171 WeakPolarHBondContact O-CB 3.13Å; P165-F172 HydrophobicContact CG-CE1 4.1Å
166	G	96.4	Very high	95.9	Very high	69 Å²	69	58.1 Å²	58.1	71%	0.711	31%	0.31	S	S	*	.	G	3₁₀ helix	trans	71.6	7.3	-179.6	0	0	0	0	0	115.6	A164 K168	A164-G166 PolarHBondContact O-N 3.32Å; A164-G166 VanDerWaalsContact O-N 3.16Å; G166-K168 WeakPolarHBondContact O-CG 3.35Å; G166-K168 PolarHBondContact O-N 3.35Å
167	N	95.9	Very high	96.1	Very high	95 Å²	95	56.8 Å²	56.8	51%	0.508	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	56	46.4	-176.5	-172.3	12.3	0	0	0	112.5	I161 R162 A164 P165	I161-N167 WeakPolarHBondContact CG2-OD1 3.22Å; I161-N167 VanDerWaalsContact O-CA 3.3Å; I161-N167 WeakPolarHBondContact O-CA 2.89Å; I161-N167 PolarHBondContact O-OD1 2.85Å; R162-N167 VanDerWaalsContact CA-OD1 3.25Å; R162-N167 WeakPolarHBondContact CA-OD1 3.31Å; R162-N167 PolarHBondContact N-OD1 3.42Å; A164-N167 PolarHBondContact O-N 3.21Å; P165-N167 PolarHBondContact O-N 2.82Å
168	K	94.2	Very high	96.2	Very high	125 Å²	125	56.3 Å²	56.3	54%	0.543	30%	0.3	S	S	.	.			trans	-123.5	141.6	-175.5	-65.6	-176.2	-178.9	-179.6	0	111.9	G166 N170 A171	G166-K168 WeakPolarHBondContact O-CG 3.35Å; G166-K168 PolarHBondContact O-N 3.35Å; K168-N170 WeakPolarHBondContact CB-OD1 3.33Å; K168-N170 PolarHBondContact O-N 2.86Å; K168-A171 WeakPolarHBondContact O-CB 3.38Å; K168-A171 PolarHBondContact O-N 3.06Å
169	S	93.6	Very high	96.4	Very high	54 Å²	54	52.2 Å²	52.2	38%	0.378	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-30.8	173.1	56.4	0	0	0	0	113.2	P179 I180	S169-P179 CarbonylContact O-C 3.56Å; S169-P179 VanDerWaalsContact O-CA 3.27Å; S169-P179 WeakPolarHBondContact O-CA 3.41Å; S169-I180 PolarHBondContact O-N 3.46Å
170	N	94.4	Very high	96.4	Very high	59 Å²	59	48.3 Å²	48.3	32%	0.316	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94	18.3	-179.3	69.9	-18.3	0	0	0	114.2	K168 F172 Q173	K168-N170 WeakPolarHBondContact CB-OD1 3.33Å; K168-N170 PolarHBondContact O-N 2.86Å; N170-F172 PolarHBondContact O-N 3.37Å; N170-F172 VanDerWaalsContact O-N 3.1Å; N170-Q173 HydrophobicContact CB-CB 4.1Å; N170-Q173 VanDerWaalsContact O-CB 3.25Å; N170-Q173 WeakPolarHBondContact O-CB 3.42Å; N170-Q173 PolarHBondContact O-N 2.7Å
171	A	95.8	Very high	96.3	Very high	33 Å²	33	48.6 Å²	48.6	27%	0.273	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-32.2	-174	0	0	0	0	0	114.3	A164 P165 K168	A164-A171 HydrophobicContact CB-CB 3.79Å; P165-A171 HydrophobicContact CB-CB 4.3Å; P165-A171 HydrophobicContact CG-CB 4.47Å; P165-A171 WeakPolarHBondContact O-CB 3.13Å; K168-A171 WeakPolarHBondContact O-CB 3.38Å; K168-A171 PolarHBondContact O-N 3.06Å
172	F	97.1	Very high	96.1	Very high	18 Å²	18	47 Å²	47	8%	0.079	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.9	7.9	-178.5	-51.5	-57.5	0	0	0	113.7	A164 P165 N170 L174 I175 T176 I180 L251 F254 F255	A164-F172 HydrophobicContact CB-CE2 4.39Å; A164-F172 HydrophobicContact CB-CZ 4.42Å; P165-F172 HydrophobicContact CG-CE1 4.1Å; N170-F172 PolarHBondContact O-N 3.37Å; N170-F172 VanDerWaalsContact O-N 3.1Å; F172-L174 VanDerWaalsContact C-N 3.27Å; F172-L174 PolarHBondContact O-N 2.83Å; F172-I175 WeakPolarHBondContact O-CB 3.47Å; F172-I175 PolarHBondContact O-N 3Å; F172-T176 HydrophobicContact CB-CG2 4.34Å; F172-T176 PolarHBondContact O-N 3.13Å; F172-T176 PolarHBondContact O-OG1 3.39Å; F172-I180 HydrophobicContact CD2-CD1 4.11Å; F172-I180 HydrophobicContact CD2-CG1 4.1Å; F172-I180 HydrophobicContact CE2-CD1 3.84Å; F172-I180 HydrophobicContact CE2-CG1 4.29Å; F172-L251 HydrophobicContact CB-CD2 3.92Å; F172-L251 HydrophobicContact CD1-CD2 3.39Å; F172-L251 HydrophobicContact CD2-CD2 3.86Å; F172-L251 HydrophobicContact CE1-CD2 3.77Å; F172-L251 HydrophobicContact CE2-CD2 4.2Å; F172-L251 HydrophobicContact CG-CD2 3.43Å; F172-L251 VanDerWaalsContact CG-CD2 3.43Å; F172-L251 HydrophobicContact CZ-CD2 4.16Å; F172-F254 AromaticContact CE2-CD1 3.64Å; F172-F254 HydrophobicContact CE2-CD1 3.64Å; F172-F254 AromaticContact CE2-CE1 3.42Å; F172-F254 HydrophobicContact CE2-CE1 3.42Å; F172-F254 VanDerWaalsContact CE2-CE1 3.42Å; F172-F254 HydrophobicContact CE2-CE2 4.38Å; F172-F254 HydrophobicContact CE2-CG 4.22Å; F172-F254 AromaticContact CE2-CZ 3.82Å; F172-F254 HydrophobicContact CE2-CZ 3.82Å; F172-F254 AromaticContact CZ-CD1 3.73Å; F172-F254 HydrophobicContact CZ-CD1 3.73Å; F172-F254 AromaticContact CZ-CD2 3.88Å; F172-F254 HydrophobicContact CZ-CD2 3.88Å; F172-F254 AromaticContact CZ-CE1 3.7Å; F172-F254 HydrophobicContact CZ-CE1 3.7Å; F172-F254 AromaticContact CZ-CE2 3.85Å; F172-F254 HydrophobicContact CZ-CE2 3.85Å; F172-F254 AromaticContact CZ-CG 3.82Å; F172-F254 HydrophobicContact CZ-CG 3.82Å; F172-F254 AromaticContact CZ-CZ 3.75Å; F172-F254 HydrophobicContact CZ-CZ 3.75Å; F172-F255 HydrophobicContact CD2-CE2 4.33Å; F172-F255 HydrophobicContact CD2-CZ 4.21Å; F172-F255 HydrophobicContact CE2-CE2 4.27Å; F172-F255 HydrophobicContact CE2-CZ 4.06Å
173	Q	95.8	Very high	96.1	Very high	18 Å²	18	39 Å²	39	8%	0.084	23%	0.23	C	C	.	.	H	α-helix	trans	-59.4	-34.3	-172	-175.9	-179.8	44.4	0	0	113.1	N170 I175 G177 F340 S341	N170-Q173 HydrophobicContact CB-CB 4.1Å; N170-Q173 VanDerWaalsContact O-CB 3.25Å; N170-Q173 WeakPolarHBondContact O-CB 3.42Å; N170-Q173 PolarHBondContact O-N 2.7Å; Q173-I175 PolarHBondContact O-N 3.41Å; Q173-G177 WeakPolarHBondContact O-CA 3.32Å; Q173-G177 PolarHBondContact O-N 3.41Å; Q173-F340 HydrophobicContact CG-CD1 4.29Å; Q173-F340 VanDerWaalsContact O-CD1 3.24Å; Q173-F340 WeakPolarHBondContact O-CD1 3.49Å; Q173-F340 WeakPolarHBondContact O-CE1 3.32Å; Q173-S341 PolarHBondContact NE2-O 2.99Å; Q173-S341 PolarHBondContact OE1-O 2.71Å
174	L	95.5	Very high	96.1	Very high	81 Å²	81	34.2 Å²	34.2	42%	0.424	21%	0.206	S	C	.	.	H	α-helix	trans	-73	-14.4	178.1	-66	179.2	0	0	0	113.8	F172 F340	F172-L174 VanDerWaalsContact C-N 3.27Å; F172-L174 PolarHBondContact O-N 2.83Å; L174-F340 HydrophobicContact CD2-CB 4.24Å; L174-F340 HydrophobicContact CD2-CD1 4.34Å; L174-F340 HydrophobicContact CD2-CD2 4.01Å; L174-F340 HydrophobicContact CD2-CE2 4.43Å; L174-F340 HydrophobicContact CD2-CG 3.93Å
175	I	97.5	Very high	96.1	Very high	52 Å²	52	33.9 Å²	33.9	27%	0.267	20%	0.203	S	C	.	.	H	α-helix	trans	-95.3	-52.1	176.6	-61.8	172.9	0	0	0	109.3	F172 Q173 N241 L242 D248 L251	F172-I175 WeakPolarHBondContact O-CB 3.47Å; F172-I175 PolarHBondContact O-N 3Å; Q173-I175 PolarHBondContact O-N 3.41Å; I175-N241 HydrophobicContact CG2-CB 4Å; I175-L242 WeakPolarHBondContact O-CB 3.48Å; I175-L242 PolarHBondContact O-N 2.85Å; I175-D248 WeakPolarHBondContact CG2-OD2 3.07Å; I175-L251 HydrophobicContact CG2-CD1 3.84Å
176	T	98.1	Very high	96.2	Very high	1 Å²	1	30 Å²	30	1%	0.006	18%	0.178	C	C	.	.	H	α-helix	trans	-100	-21.9	-169.7	64.7	0	0	0	0	113.8	F172 L178 L238 L242 L251	F172-T176 HydrophobicContact CB-CG2 4.34Å; F172-T176 PolarHBondContact O-N 3.13Å; F172-T176 PolarHBondContact O-OG1 3.39Å; T176-L178 PolarHBondContact OG1-N 3.2Å; T176-L178 PolarHBondContact OG1-O 2.92Å; T176-L238 HydrophobicContact CG2-CD1 4.16Å; T176-L242 VanDerWaalsContact C-CD1 3.49Å; T176-L242 WeakPolarHBondContact O-CD1 3.15Å; T176-L242 WeakPolarHBondContact O-CG 3.49Å; T176-L251 HydrophobicContact CG2-CD1 3.21Å
177	G	97.2	Very high	96.3	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.144	C	C	.	.	S	Bend	trans	78	2.3	-167	0	0	0	0	0	114.7	Q173 T347	Q173-G177 WeakPolarHBondContact O-CA 3.32Å; Q173-G177 PolarHBondContact O-N 3.41Å; G177-T347 WeakPolarHBondContact CA-O 3.46Å; G177-T347 PolarHBondContact O-N 3.29Å
178	L	97.4	Very high	96.5	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.119	C	C	.	.			trans	-123.1	147.7	-167.9	-51.2	177.5	0	0	0	112.4	T176 F184 S235 L238 L346	T176-L178 PolarHBondContact OG1-N 3.2Å; T176-L178 PolarHBondContact OG1-O 2.92Å; L178-F184 HydrophobicContact CB-CD2 4.22Å; L178-F184 HydrophobicContact CB-CE1 4.29Å; L178-F184 HydrophobicContact CB-CE2 3.85Å; L178-F184 HydrophobicContact CB-CZ 3.88Å; L178-F184 HydrophobicContact CD1-CD1 3.64Å; L178-F184 HydrophobicContact CD1-CD2 4.39Å; L178-F184 HydrophobicContact CD1-CE1 3.77Å; L178-F184 HydrophobicContact CD1-CG 3.96Å; L178-F184 HydrophobicContact CD1-CZ 4.22Å; L178-F184 HydrophobicContact CD2-CD1 4.4Å; L178-F184 HydrophobicContact CD2-CE1 3.65Å; L178-F184 HydrophobicContact CD2-CZ 3.76Å; L178-F184 HydrophobicContact CG-CD1 4.43Å; L178-F184 HydrophobicContact CG-CE1 4.09Å; L178-F184 HydrophobicContact CG-CZ 4.14Å; L178-S235 WeakPolarHBondContact CD1-O 3.42Å; L178-L238 HydrophobicContact CB-CD1 3.81Å; L178-L238 HydrophobicContact CD1-CB 4.46Å; L178-L346 HydrophobicContact CD2-CB 4.21Å; L178-L346 HydrophobicContact CD2-CD1 4.12Å; L178-L346 HydrophobicContact CD2-CD2 3.99Å; L178-L346 HydrophobicContact CD2-CG 4.34Å
179	P	96.1	Very high	96.7	Very high	12 Å²	12	16.3 Å²	16.3	8%	0.078	9%	0.094	C	C	.	.			trans	-79.5	162.7	165.3	32.8	-32.9	0	0	0	111.7	S169 H181 F184 L346 W423	S169-P179 CarbonylContact O-C 3.56Å; S169-P179 VanDerWaalsContact O-CA 3.27Å; S169-P179 WeakPolarHBondContact O-CA 3.41Å; P179-H181 PolarHBondContact O-N 3.41Å; P179-F184 HydrophobicContact CG-CE2 3.99Å; P179-F184 WeakPolarHBondContact O-CD2 3.38Å; P179-F184 WeakPolarHBondContact O-CE2 3.4Å; P179-L346 HydrophobicContact CG-CD2 4.24Å; P179-W423 HydrophobicContact CG-CD2 4.17Å; P179-W423 HydrophobicContact CG-CZ2 4.42Å
180	I	96.5	Very high	96.9	Very high	3 Å²	3	13.8 Å²	13.8	2%	0.015	8%	0.076	C	C	.	.	S	Bend	trans	-69.1	110.3	164.1	-56	173.8	0	0	0	107.5	V157 F160 I161 A164 S169 F172 L187 L238 F254 F255	V157-I180 HydrophobicContact CG1-CG2 4.45Å; F160-I180 HydrophobicContact CB-CG2 3.91Å; I161-I180 HydrophobicContact CG1-CB 4.1Å; I161-I180 HydrophobicContact CG1-CD1 4.29Å; I161-I180 HydrophobicContact CG1-CG2 4.17Å; A164-I180 HydrophobicContact CB-CD1 3.64Å; S169-I180 PolarHBondContact O-N 3.46Å; F172-I180 HydrophobicContact CD2-CD1 4.11Å; F172-I180 HydrophobicContact CD2-CG1 4.1Å; F172-I180 HydrophobicContact CE2-CD1 3.84Å; F172-I180 HydrophobicContact CE2-CG1 4.29Å; I180-L187 HydrophobicContact CG2-CD1 4.27Å; I180-L238 HydrophobicContact CG1-CD2 4.44Å; I180-F254 HydrophobicContact CD1-CE1 4.44Å; I180-F255 HydrophobicContact CG1-CZ 4.31Å
181	H	95.2	Very high	97.1	Very high	6 Å²	6	12.2 Å²	12.2	3%	0.028	7%	0.066	C	C	.	.			trans	-154.2	152.4	-177.5	-163.4	-85.8	0	0	0	110.7	P179 Y183 F184 L187 F419 W423 E425	P179-H181 PolarHBondContact O-N 3.41Å; H181-Y183 PolarHBondContact ND1-N 3.03Å; H181-Y183 PolarHBondContact O-N 2.95Å; H181-F184 HydrophobicContact CB-CD2 4.1Å; H181-F184 HydrophobicContact CB-CE2 3.92Å; H181-F184 PolarHBondContact O-N 2.84Å; H181-L187 WeakPolarHBondContact O-CD1 3.33Å; H181-F419 AromaticContact CE1-CE1 3.82Å; H181-W423 HydrophobicContact CB-CE3 4.36Å; H181-W423 HydrophobicContact CB-CZ3 4.49Å; H181-W423 AromaticContact CD2-CE3 3.45Å; H181-W423 VanDerWaalsContact CD2-CE3 3.45Å; H181-W423 AromaticContact CE1-CE3 3.99Å; H181-W423 AromaticContact CG-CE3 3.7Å; H181-W423 AromaticContact CG-CZ3 3.98Å; H181-W423 AromaticContact NE2-CE3 3.63Å; H181-E425 IonicContact CD2-OE1 3.76Å; H181-E425 IonicContact CE1-OE1 3.59Å; H181-E425 PolarHBondContact CE1-OE1 2.51Å; H181-E425 VanDerWaalsContact CE1-OE1 3.26Å; H181-E425 IonicContact CG-OE1 3.24Å; H181-E425 IonicContact ND1-OE1 3.74Å; H181-E425 IonicContact NE2-OE1 2.78Å; H181-E425 PolarHBondContact NE2-OE1 3.01Å
182	S	94	Very high	97.3	Very high	2 Å²	2	10.8 Å²	10.8	1%	0.014	5%	0.054	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-17.1	179	57.1	0	0	0	0	114.3	T153 V157 F184 K188 E425	T153-S182 VanDerWaalsContact OG1-CA 3.23Å; T153-S182 WeakPolarHBondContact OG1-CA 3.42Å; T153-S182 WeakPolarHBondContact OG1-CB 3.37Å; V157-S182 VanDerWaalsContact CG2-N 3.25Å; S182-F184 VanDerWaalsContact C-N 3.32Å; S182-F184 PolarHBondContact O-N 2.89Å; S182-K188 PolarHBondContact O-NZ 2.98Å; S182-E425 WeakPolarHBondContact CB-OE1 3.32Å; S182-E425 PolarHBondContact N-OE1 3.23Å; S182-E425 PolarHBondContact OG-OE1 3.07Å; S182-E425 PolarHBondContact OG-OE2 2.97Å
183	Y	95.2	Very high	97.3	Very high	1 Å²	1	11.1 Å²	11.1	0%	0.004	6%	0.056	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-36.2	-177.4	-178	-155.7	0	0	0	111.1	E129 W148 H181 K188 R236 A366 F419 W423	E129-Y183 HydrophobicContact CB-CD2 4.43Å; E129-Y183 HydrophobicContact CB-CE2 4.24Å; E129-Y183 VanDerWaalsContact CB-O 3.28Å; E129-Y183 WeakPolarHBondContact CB-O 3.43Å; E129-Y183 VanDerWaalsContact CD-CE2 3.43Å; E129-Y183 VanDerWaalsContact CD-CZ 3.47Å; E129-Y183 HydrophobicContact CG-CD2 4.25Å; E129-Y183 HydrophobicContact CG-CE2 3.94Å; E129-Y183 PolarHBondContact OE1-OH 3.41Å; E129-Y183 WeakPolarHBondContact OE2-CE2 3.37Å; E129-Y183 PolarHBondContact OE2-OH 2.93Å; W148-Y183 HydrophobicContact CB-CD2 4.24Å; W148-Y183 HydrophobicContact CB-CE2 3.93Å; W148-Y183 HydrophobicContact CD2-CE2 4.02Å; W148-Y183 AromaticContact CE3-CD2 3.8Å; W148-Y183 HydrophobicContact CE3-CD2 3.8Å; W148-Y183 AromaticContact CE3-CE2 3.37Å; W148-Y183 HydrophobicContact CE3-CE2 3.37Å; W148-Y183 HydrophobicContact CG-CE2 4.28Å; W148-Y183 HydrophobicContact CZ3-CE2 4.22Å; W148-Y183 WeakPolarHBondContact O-CD2 3.32Å; H181-Y183 PolarHBondContact ND1-N 3.03Å; H181-Y183 PolarHBondContact O-N 2.95Å; Y183-K188 VanDerWaalsContact C-NZ 3.34Å; Y183-K188 PolarHBondContact O-NZ 3.43Å; Y183-R236 PolarHBondContact OH-NH2 3.31Å; Y183-A366 HydrophobicContact CD1-CB 4.45Å; Y183-A366 HydrophobicContact CE1-CB 3.58Å; Y183-F419 HydrophobicContact CD1-CD2 4.13Å; Y183-F419 AromaticContact CD1-CE2 3.95Å; Y183-F419 HydrophobicContact CD1-CE2 3.95Å; Y183-F419 AromaticContact CD2-CE2 3.82Å; Y183-F419 HydrophobicContact CD2-CE2 3.82Å; Y183-F419 HydrophobicContact CD2-CZ 4.36Å; Y183-F419 HydrophobicContact CE1-CD2 4.4Å; Y183-F419 HydrophobicContact CE1-CE2 4.35Å; Y183-F419 HydrophobicContact CE2-CE2 4.26Å; Y183-F419 HydrophobicContact CG-CD2 4.32Å; Y183-F419 AromaticContact CG-CE2 3.69Å; Y183-F419 HydrophobicContact CG-CE2 3.69Å; Y183-F419 HydrophobicContact CG-CZ 4.21Å; Y183-W423 HydrophobicContact CD1-CH2 4.01Å; Y183-W423 HydrophobicContact CD1-CZ3 4.09Å
184	F	97.8	Very high	97.5	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.077	C	C	.	.	S	Bend	trans	-90	150.3	-171.6	-50.3	-61.5	0	0	0	113.5	E129 L178 P179 H181 S182 A186 R236 L238 L346 W423	E129-F184 HydrophobicContact CG-CD1 4.27Å; L178-F184 HydrophobicContact CB-CD2 4.22Å; L178-F184 HydrophobicContact CB-CE1 4.29Å; L178-F184 HydrophobicContact CB-CE2 3.85Å; L178-F184 HydrophobicContact CB-CZ 3.88Å; L178-F184 HydrophobicContact CD1-CD1 3.64Å; L178-F184 HydrophobicContact CD1-CD2 4.39Å; L178-F184 HydrophobicContact CD1-CE1 3.77Å; L178-F184 HydrophobicContact CD1-CG 3.96Å; L178-F184 HydrophobicContact CD1-CZ 4.22Å; L178-F184 HydrophobicContact CD2-CD1 4.4Å; L178-F184 HydrophobicContact CD2-CE1 3.65Å; L178-F184 HydrophobicContact CD2-CZ 3.76Å; L178-F184 HydrophobicContact CG-CD1 4.43Å; L178-F184 HydrophobicContact CG-CE1 4.09Å; L178-F184 HydrophobicContact CG-CZ 4.14Å; P179-F184 HydrophobicContact CG-CE2 3.99Å; P179-F184 WeakPolarHBondContact O-CD2 3.38Å; P179-F184 WeakPolarHBondContact O-CE2 3.4Å; H181-F184 HydrophobicContact CB-CD2 4.1Å; H181-F184 HydrophobicContact CB-CE2 3.92Å; H181-F184 PolarHBondContact O-N 2.84Å; S182-F184 VanDerWaalsContact C-N 3.32Å; S182-F184 PolarHBondContact O-N 2.89Å; F184-A186 PolarHBondContact O-N 3.19Å; F184-R236 WeakPolarHBondContact CD1-O 3.38Å; F184-L238 HydrophobicContact CB-CB 3.86Å; F184-L238 HydrophobicContact CG-CB 4.44Å; F184-L346 HydrophobicContact CE1-CD1 4.23Å; F184-L346 HydrophobicContact CZ-CD1 4.05Å; F184-L346 HydrophobicContact CZ-CD2 4Å; F184-W423 HydrophobicContact CZ-CH2 4.25Å
185	S	98.7	Very high	97.6	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-64.7	-30.4	-167.4	-55.2	0	0	0	0	115.4	E129 T131 L187 K188 M189	E129-S185 VanDerWaalsContact CA-OG 3.29Å; E129-S185 WeakPolarHBondContact CA-OG 3.44Å; E129-S185 PolarHBondContact O-OG 3.38Å; T131-S185 VanDerWaalsContact OG1-CB 3.27Å; T131-S185 WeakPolarHBondContact OG1-CB 3.3Å; T131-S185 PolarHBondContact OG1-OG 3.45Å; S185-L187 VanDerWaalsContact C-N 3.28Å; S185-L187 PolarHBondContact O-N 2.95Å; S185-K188 WeakPolarHBondContact O-CA 3.27Å; S185-K188 WeakPolarHBondContact O-CB 3.27Å; S185-K188 PolarHBondContact O-N 3.48Å; S185-M189 WeakPolarHBondContact O-CG 3.37Å; S185-M189 PolarHBondContact O-N 3.07Å
186	A	98.7	Very high	97.6	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-54	-43.9	-176.9	0	0	0	0	0	112.7	F184 K188 M189 N190 T237 L238 L239 F255	F184-A186 PolarHBondContact O-N 3.19Å; A186-K188 VanDerWaalsContact C-N 3.35Å; A186-M189 PolarHBondContact O-N 3.22Å; A186-N190 WeakPolarHBondContact O-CB 3.24Å; A186-N190 PolarHBondContact O-N 2.72Å; A186-T237 WeakPolarHBondContact CB-O 3.28Å; A186-T237 PolarHBondContact N-O 2.91Å; A186-L238 HydrophobicContact CB-CB 4.08Å; A186-L239 HydrophobicContact CB-CD1 4.37Å; A186-L239 HydrophobicContact CB-CD2 3.84Å; A186-L239 HydrophobicContact CB-CG 3.9Å; A186-F255 HydrophobicContact CB-CB 4.25Å; A186-F255 HydrophobicContact CB-CD1 4.3Å; A186-F255 HydrophobicContact CB-CD2 4.11Å; A186-F255 HydrophobicContact CB-CG 3.96Å
187	L	98.3	Very high	97.7	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-69.8	-34.5	179.6	-66	-179.7	0	0	0	111.8	T153 D156 V157 F160 I180 H181 S185 N190 W191 F255	T153-L187 HydrophobicContact CG2-CB 4.12Å; D156-L187 HydrophobicContact CB-CD2 4.45Å; V157-L187 HydrophobicContact CB-CD1 4.45Å; V157-L187 HydrophobicContact CG2-CD1 3.45Å; V157-L187 VanDerWaalsContact CG2-CD1 3.45Å; F160-L187 HydrophobicContact CB-CD2 4.5Å; F160-L187 HydrophobicContact CD2-CD2 3.18Å; F160-L187 HydrophobicContact CE2-CD2 3.48Å; F160-L187 VanDerWaalsContact CE2-CD2 3.48Å; F160-L187 HydrophobicContact CG-CD2 3.96Å; F160-L187 HydrophobicContact CZ-CD2 4.44Å; I180-L187 HydrophobicContact CG2-CD1 4.27Å; H181-L187 WeakPolarHBondContact O-CD1 3.33Å; S185-L187 VanDerWaalsContact C-N 3.28Å; S185-L187 PolarHBondContact O-N 2.95Å; L187-N190 PolarHBondContact O-N 3.47Å; L187-W191 VanDerWaalsContact O-CB 3.26Å; L187-W191 WeakPolarHBondContact O-CB 3.37Å; L187-W191 PolarHBondContact O-N 2.84Å; L187-F255 HydrophobicContact CD2-CD1 4Å; L187-F255 HydrophobicContact CD2-CE1 3.97Å
188	K	98.7	Very high	97.7	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-66.2	-42.1	174.8	-59.8	176.3	168.9	75	0	111	T131 I146 V147 W148 S182 Y183 S185 A186 W191 L192	T131-K188 HydrophobicContact CG2-CB 4.37Å; I146-K188 HydrophobicContact CB-CB 4.43Å; I146-K188 HydrophobicContact CB-CD 4.11Å; I146-K188 HydrophobicContact CB-CG 4.42Å; I146-K188 HydrophobicContact CD1-CB 4.35Å; I146-K188 HydrophobicContact CG2-CB 4.33Å; I146-K188 HydrophobicContact CG2-CD 3.68Å; I146-K188 HydrophobicContact CG2-CG 3.86Å; V147-K188 WeakPolarHBondContact O-CE 3.21Å; W148-K188 PolarHBondContact O-NZ 3.25Å; S182-K188 PolarHBondContact O-NZ 2.98Å; Y183-K188 VanDerWaalsContact C-NZ 3.34Å; Y183-K188 PolarHBondContact O-NZ 3.43Å; S185-K188 WeakPolarHBondContact O-CA 3.27Å; S185-K188 WeakPolarHBondContact O-CB 3.27Å; S185-K188 PolarHBondContact O-N 3.48Å; A186-K188 VanDerWaalsContact C-N 3.35Å; K188-W191 PolarHBondContact O-N 2.88Å; K188-L192 VanDerWaalsContact O-CG 3.29Å; K188-L192 WeakPolarHBondContact O-CG 3.32Å; K188-L192 PolarHBondContact O-N 2.79Å
189	M	98.8	Very high	97.8	Very high	2 Å²	2	23.9 Å²	23.9	1%	0.01	12%	0.123	C	C	.	.	H	α-helix	trans	-62.3	-47.8	174.9	-63.9	166.4	-178.3	0	0	111.2	T131 S185 A186 W191 L192 L193 F210 L239 I257 L262	T131-M189 HydrophobicContact CG2-CE 4.41Å; T131-M189 HydrophobicContact CG2-CG 3.64Å; S185-M189 WeakPolarHBondContact O-CG 3.37Å; S185-M189 PolarHBondContact O-N 3.07Å; A186-M189 PolarHBondContact O-N 3.22Å; M189-W191 VanDerWaalsContact C-N 3.33Å; M189-W191 PolarHBondContact O-N 2.91Å; M189-L192 PolarHBondContact O-N 3.08Å; M189-L193 PolarHBondContact O-N 2.8Å; M189-F210 HydrophobicContact CB-CD1 4.36Å; M189-F210 HydrophobicContact CB-CD2 4.27Å; M189-F210 HydrophobicContact CB-CE1 4.1Å; M189-F210 HydrophobicContact CB-CE2 4Å; M189-F210 HydrophobicContact CB-CG 4.44Å; M189-F210 HydrophobicContact CB-CZ 3.92Å; M189-F210 HydrophobicContact CE-CB 4.1Å; M189-F210 HydrophobicContact CG-CB 4.39Å; M189-F210 HydrophobicContact CG-CD1 3.87Å; M189-F210 HydrophobicContact CG-CD2 4.14Å; M189-F210 HydrophobicContact CG-CE1 4.09Å; M189-F210 HydrophobicContact CG-CE2 4.35Å; M189-F210 HydrophobicContact CG-CG 3.9Å; M189-F210 HydrophobicContact CG-CZ 4.33Å; M189-F210 HydrophobicContact SD-CB 4.39Å; M189-F210 HydrophobicContact SD-CD2 4.48Å; M189-F210 HydrophobicContact SD-CG 4.38Å; M189-L239 HydrophobicContact SD-CD1 3.95Å; M189-I257 HydrophobicContact CB-CD1 3.53Å; M189-I257 HydrophobicContact CB-CG1 4.35Å; M189-I257 HydrophobicContact SD-CG2 4.35Å; M189-L262 HydrophobicContact CE-CD2 4.06Å; M189-L262 HydrophobicContact SD-CD2 4.03Å
190	N	98.7	Very high	97.9	Very high	1 Å²	1	24.7 Å²	24.7	1%	0.005	13%	0.131	C	C	.	.	H	α-helix	trans	-60.5	-42.8	177.3	-176.1	-93.4	0	0	0	111.8	F160 A186 L187 L193 N194 F255 I257	F160-N190 HydrophobicContact CZ-CB 4.5Å; A186-N190 WeakPolarHBondContact O-CB 3.24Å; A186-N190 PolarHBondContact O-N 2.72Å; L187-N190 PolarHBondContact O-N 3.47Å; N190-L193 PolarHBondContact O-N 2.84Å; N190-N194 PolarHBondContact O-N 2.98Å; N190-N194 VanDerWaalsContact O-N 3.13Å; N190-N194 PolarHBondContact O-ND2 3.35Å; N190-N194 PolarHBondContact OD1-ND2 2.97Å; N190-F255 PolarHBondContact ND2-O 2.66Å; N190-I257 HydrophobicContact CB-CD1 4.35Å
191	W	98.6	Very high	98	Very high	27 Å²	27	29.6 Å²	29.6	10%	0.102	15%	0.154	C	C	.	.	H	α-helix	trans	-62.7	-43.9	176.8	-174.8	94.6	0	0	0	111.8	W86 I146 R152 T153 L187 K188 M189 L193 N194 N195 V196	W86-W191 AromaticContact CH2-CH2 3.81Å; W86-W191 HydrophobicContact CH2-CH2 3.81Å; W86-W191 AromaticContact CH2-CZ2 3.41Å; W86-W191 HydrophobicContact CH2-CZ2 3.41Å; W86-W191 VanDerWaalsContact CH2-CZ2 3.41Å; W86-W191 AromaticContact CZ2-CZ2 3.98Å; W86-W191 HydrophobicContact CZ2-CZ2 3.98Å; W86-W191 AromaticContact CZ3-CH2 3.9Å; W86-W191 HydrophobicContact CZ3-CH2 3.9Å; W86-W191 AromaticContact CZ3-CZ2 3.98Å; W86-W191 HydrophobicContact CZ3-CZ2 3.98Å; I146-W191 HydrophobicContact CD1-CE3 3.75Å; I146-W191 HydrophobicContact CD1-CZ3 4.09Å; R152-W191 HydrophobicContact CG-CD2 4.18Å; R152-W191 HydrophobicContact CG-CG 4.33Å; T153-W191 HydrophobicContact CG2-CB 3.77Å; T153-W191 HydrophobicContact CG2-CG 4.09Å; L187-W191 VanDerWaalsContact O-CB 3.26Å; L187-W191 WeakPolarHBondContact O-CB 3.37Å; L187-W191 PolarHBondContact O-N 2.84Å; K188-W191 PolarHBondContact O-N 2.88Å; M189-W191 VanDerWaalsContact C-N 3.33Å; M189-W191 PolarHBondContact O-N 2.91Å; W191-L193 PolarHBondContact O-N 3.43Å; W191-N194 PolarHBondContact O-N 3.37Å; W191-N195 HydrophobicContact CD2-CB 4.09Å; W191-N195 HydrophobicContact CE3-CB 4.28Å; W191-N195 HydrophobicContact CH2-CB 3.95Å; W191-N195 HydrophobicContact CZ2-CB 3.74Å; W191-N195 HydrophobicContact CZ3-CB 4.22Å; W191-N195 PolarHBondContact NE1-ND2 3.46Å; W191-N195 VanDerWaalsContact O-CB 3.32Å; W191-N195 WeakPolarHBondContact O-CB 3.28Å; W191-N195 PolarHBondContact O-N 2.87Å; W191-N195 PolarHBondContact O-ND2 3.45Å; W191-V196 HydrophobicContact CH2-CG2 4.5Å; W191-V196 HydrophobicContact CZ3-CG2 3.92Å
192	L	98.7	Very high	98.2	Very high	2 Å²	2	29.6 Å²	29.6	1%	0.01	16%	0.155	C	C	.	.	H	α-helix	trans	-59.7	-45.8	177.2	-75.4	166.9	0	0	0	111.8	T131 A133 A143 I146 K188 M189 N194 N195 V196 V199 F210	T131-L192 HydrophobicContact CG2-CD1 4.09Å; A133-L192 HydrophobicContact CB-CD1 4.24Å; A143-L192 HydrophobicContact CB-CD2 3.91Å; I146-L192 HydrophobicContact CD1-CD1 4.01Å; I146-L192 HydrophobicContact CD1-CD2 3.72Å; I146-L192 HydrophobicContact CD1-CG 3.64Å; I146-L192 HydrophobicContact CG1-CD2 4.36Å; K188-L192 VanDerWaalsContact O-CG 3.29Å; K188-L192 WeakPolarHBondContact O-CG 3.32Å; K188-L192 PolarHBondContact O-N 2.79Å; M189-L192 PolarHBondContact O-N 3.08Å; L192-N194 VanDerWaalsContact C-N 3.28Å; L192-N194 PolarHBondContact O-N 2.93Å; L192-N195 PolarHBondContact O-N 2.92Å; L192-V196 HydrophobicContact CD2-CB 4.44Å; L192-V196 HydrophobicContact CD2-CG2 3.73Å; L192-V196 WeakPolarHBondContact O-CB 3.24Å; L192-V196 PolarHBondContact O-N 2.9Å; L192-V199 HydrophobicContact CB-CG1 4.13Å; L192-V199 HydrophobicContact CB-CG2 4.39Å; L192-F210 HydrophobicContact CB-CE1 4.29Å; L192-F210 HydrophobicContact CB-CZ 4.44Å; L192-F210 HydrophobicContact CD1-CE1 3.88Å
193	L	98.6	Very high	98.4	Very high	25 Å²	25	31.6 Å²	31.6	13%	0.131	17%	0.165	C	C	.	.	H	α-helix	trans	-58.2	-40.1	175.9	-75.2	163.6	0	0	0	112.3	M189 N190 W191 V199 D203 L208 F210 I257	M189-L193 PolarHBondContact O-N 2.8Å; N190-L193 PolarHBondContact O-N 2.84Å; W191-L193 PolarHBondContact O-N 3.43Å; L193-V199 HydrophobicContact CD2-CG1 4.14Å; L193-V199 HydrophobicContact CG-CG1 4.41Å; L193-D203 HydrophobicContact CD2-CB 3.72Å; L193-L208 HydrophobicContact CD2-CD2 3.79Å; L193-F210 HydrophobicContact CD1-CE2 4.18Å; L193-F210 HydrophobicContact CD1-CZ 4.45Å; L193-F210 HydrophobicContact CG-CE2 4.21Å; L193-F210 HydrophobicContact CG-CZ 4.07Å; L193-I257 HydrophobicContact CD1-CD1 3.86Å
194	N	98.3	Very high	98.5	Very high	97 Å²	97	39.2 Å²	39.2	52%	0.519	20%	0.201	S	C	.	.	H	α-helix	trans	-84.4	-22	-175.5	-69	-40.6	0	0	0	114.2	N190 W191 L192	N190-N194 PolarHBondContact O-N 2.98Å; N190-N194 VanDerWaalsContact O-N 3.13Å; N190-N194 PolarHBondContact O-ND2 3.35Å; N190-N194 PolarHBondContact OD1-ND2 2.97Å; W191-N194 PolarHBondContact O-N 3.37Å; L192-N194 VanDerWaalsContact C-N 3.28Å; L192-N194 PolarHBondContact O-N 2.93Å
195	N	98.3	Very high	98.5	Very high	95 Å²	95	41 Å²	41	51%	0.508	22%	0.22	S	C	.	.	H	α-helix	trans	-122.8	-14.4	-168.7	-63.5	-88.4	0	0	0	114.2	W191 L192	W191-N195 HydrophobicContact CD2-CB 4.09Å; W191-N195 HydrophobicContact CE3-CB 4.28Å; W191-N195 HydrophobicContact CH2-CB 3.95Å; W191-N195 HydrophobicContact CZ2-CB 3.74Å; W191-N195 HydrophobicContact CZ3-CB 4.22Å; W191-N195 PolarHBondContact NE1-ND2 3.46Å; W191-N195 VanDerWaalsContact O-CB 3.32Å; W191-N195 WeakPolarHBondContact O-CB 3.28Å; W191-N195 PolarHBondContact O-N 2.87Å; W191-N195 PolarHBondContact O-ND2 3.45Å; L192-N195 PolarHBondContact O-N 2.92Å
196	V	98.5	Very high	98.5	Very high	29 Å²	29	45.1 Å²	45.1	18%	0.176	24%	0.242	C	C	.	.			trans	-115.6	108.4	-179	-175.6	0	0	0	0	110.3	A143 W191 L192 S198 V199 A200	A143-V196 HydrophobicContact CB-CG1 4.12Å; W191-V196 HydrophobicContact CH2-CG2 4.5Å; W191-V196 HydrophobicContact CZ3-CG2 3.92Å; L192-V196 HydrophobicContact CD2-CB 4.44Å; L192-V196 HydrophobicContact CD2-CG2 3.73Å; L192-V196 WeakPolarHBondContact O-CB 3.24Å; L192-V196 PolarHBondContact O-N 2.9Å; V196-S198 VanDerWaalsContact C-N 3.34Å; V196-S198 VanDerWaalsContact CG1-OG 3.28Å; V196-S198 WeakPolarHBondContact CG1-OG 3.2Å; V196-S198 PolarHBondContact O-N 3.4Å; V196-V199 HydrophobicContact CB-CB 4.15Å; V196-V199 HydrophobicContact CB-CG2 3.91Å; V196-V199 HydrophobicContact CG1-CB 4.34Å; V196-V199 HydrophobicContact CG1-CG2 3.79Å; V196-V199 WeakPolarHBondContact O-CB 3.09Å; V196-V199 PolarHBondContact O-N 3.47Å; V196-A200 PolarHBondContact O-N 2.88Å; V196-A200 VanDerWaalsContact O-N 3.09Å
197	K	98.6	Very high	98.5	Very high	155 Å²	155	48.4 Å²	48.4	67%	0.674	26%	0.256	S	S	*	.	H	α-helix	trans	-53.5	-45.9	-176.4	-179.2	176	170.7	178.4	0	113.4	V199 A200 E201	K197-V199 PolarHBondContact O-N 2.76Å; K197-A200 PolarHBondContact O-N 3.27Å; K197-E201 WeakPolarHBondContact CE-OE1 3.46Å; K197-E201 HydrophobicContact CG-CG 4.33Å; K197-E201 IonicContact NZ-OE1 2.81Å; K197-E201 WeakPolarHBondContact O-CG 3.22Å; K197-E201 PolarHBondContact O-N 3.42Å
198	S	98.6	Very high	98.5	Very high	44 Å²	44	48.6 Å²	48.6	31%	0.308	26%	0.257	S	S	.	.	H	α-helix	trans	-62.4	-30.3	178.6	47.8	0	0	0	0	113.1	L142 V196 A202	L142-S198 PolarHBondContact O-OG 2.93Å; V196-S198 VanDerWaalsContact C-N 3.34Å; V196-S198 VanDerWaalsContact CG1-OG 3.28Å; V196-S198 WeakPolarHBondContact CG1-OG 3.2Å; V196-S198 PolarHBondContact O-N 3.4Å; S198-A202 WeakPolarHBondContact O-CB 3.46Å; S198-A202 PolarHBondContact O-N 2.82Å
199	V	98.8	Very high	98.5	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-74.5	-45.7	176.1	176.8	0	0	0	0	110.3	A133 L142 A143 L192 L193 V196 K197 A202 D203 L208 F210	A133-V199 HydrophobicContact CB-CG1 4.5Å; A133-V199 HydrophobicContact CB-CG2 3.94Å; L142-V199 HydrophobicContact CB-CG2 3.8Å; L142-V199 HydrophobicContact CD1-CG2 4.5Å; A143-V199 HydrophobicContact CB-CG2 4.42Å; L192-V199 HydrophobicContact CB-CG1 4.13Å; L192-V199 HydrophobicContact CB-CG2 4.39Å; L193-V199 HydrophobicContact CD2-CG1 4.14Å; L193-V199 HydrophobicContact CG-CG1 4.41Å; V196-V199 HydrophobicContact CB-CB 4.15Å; V196-V199 HydrophobicContact CB-CG2 3.91Å; V196-V199 HydrophobicContact CG1-CB 4.34Å; V196-V199 HydrophobicContact CG1-CG2 3.79Å; V196-V199 WeakPolarHBondContact O-CB 3.09Å; V196-V199 PolarHBondContact O-N 3.47Å; K197-V199 PolarHBondContact O-N 2.76Å; V199-A202 PolarHBondContact O-N 3.15Å; V199-D203 PolarHBondContact O-N 2.64Å; V199-L208 HydrophobicContact CG1-CD1 4.03Å; V199-L208 HydrophobicContact CG1-CD2 3.87Å; V199-F210 HydrophobicContact CG1-CE1 4.4Å; V199-F210 HydrophobicContact CG1-CZ 3.99Å
200	A	98.5	Very high	98.5	Very high	30 Å²	30	49.4 Å²	49.4	25%	0.248	26%	0.261	C	S	.	.	H	α-helix	trans	-60.2	-47.2	176.4	0	0	0	0	0	112.3	V196 K197 A202 D203 E204	V196-A200 PolarHBondContact O-N 2.88Å; V196-A200 VanDerWaalsContact O-N 3.09Å; K197-A200 PolarHBondContact O-N 3.27Å; A200-A202 VanDerWaalsContact C-N 3.3Å; A200-A202 PolarHBondContact O-N 2.96Å; A200-D203 PolarHBondContact O-N 2.69Å; A200-D203 VanDerWaalsContact O-N 3.14Å; A200-E204 WeakPolarHBondContact O-CG 3.5Å; A200-E204 PolarHBondContact O-N 2.97Å
201	E	98.5	Very high	98.5	Very high	105 Å²	105	49.5 Å²	49.5	49%	0.491	26%	0.262	S	S	.	.	H	α-helix	trans	-62.2	-36.9	177.6	-72	176.5	164.3	0	0	112.2	K197 G205	K197-E201 WeakPolarHBondContact CE-OE1 3.46Å; K197-E201 HydrophobicContact CG-CG 4.33Å; K197-E201 IonicContact NZ-OE1 2.81Å; K197-E201 WeakPolarHBondContact O-CG 3.22Å; K197-E201 PolarHBondContact O-N 3.42Å; E201-G205 PolarHBondContact O-N 2.86Å
202	A	98.6	Very high	98.5	Very high	6 Å²	6	48.4 Å²	48.4	5%	0.05	26%	0.258	C	S	.	.	H	α-helix	trans	-69.4	-35.3	175.2	0	0	0	0	0	112.4	L142 S198 V199 A200 G205 N206 K207 L208	L142-A202 HydrophobicContact CD1-CB 3.49Å; L142-A202 VanDerWaalsContact CD1-CB 3.49Å; L142-A202 HydrophobicContact CD2-CB 4.25Å; S198-A202 WeakPolarHBondContact O-CB 3.46Å; S198-A202 PolarHBondContact O-N 2.82Å; V199-A202 PolarHBondContact O-N 3.15Å; A200-A202 VanDerWaalsContact C-N 3.3Å; A200-A202 PolarHBondContact O-N 2.96Å; A202-G205 CarbonylContact O-C 3.5Å; A202-G205 PolarHBondContact O-N 3.3Å; A202-N206 PolarHBondContact O-N 2.86Å; A202-N206 VanDerWaalsContact O-N 3.14Å; A202-K207 PolarHBondContact O-N 3.15Å; A202-L208 HydrophobicContact CB-CB 4.06Å; A202-L208 PolarHBondContact O-N 2.86Å
203	D	98.5	Very high	98.5	Very high	44 Å²	44	48.3 Å²	48.3	24%	0.235	26%	0.258	C	S	.	.	H	α-helix	trans	-66.3	-50.3	175.9	-166.7	47.8	0	0	0	111.1	L193 V199 A200 G205 N206 L208	L193-D203 HydrophobicContact CD2-CB 3.72Å; V199-D203 PolarHBondContact O-N 2.64Å; A200-D203 PolarHBondContact O-N 2.69Å; A200-D203 VanDerWaalsContact O-N 3.14Å; D203-G205 PolarHBondContact O-N 3.31Å; D203-N206 PolarHBondContact O-N 3.48Å; D203-L208 HydrophobicContact CB-CB 4.3Å; D203-L208 HydrophobicContact CB-CD2 3.71Å
204	E	97.9	Very high	98.6	Very high	161 Å²	161	47.1 Å²	47.1	75%	0.752	25%	0.252	S	S	*	.	H	α-helix	trans	-57.5	-39.4	175.1	-70.4	178.4	-179.9	0	0	111.8	A200 N206	A200-E204 WeakPolarHBondContact O-CG 3.5Å; A200-E204 PolarHBondContact O-N 2.97Å; E204-N206 PolarHBondContact O-N 3.2Å
205	G	98.1	Very high	98.6	Very high	39 Å²	39	42.5 Å²	42.5	40%	0.402	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-2.3	176.7	0	0	0	0	0	114.9	E201 A202 D203 K207	E201-G205 PolarHBondContact O-N 2.86Å; A202-G205 CarbonylContact O-C 3.5Å; A202-G205 PolarHBondContact O-N 3.3Å; D203-G205 PolarHBondContact O-N 3.31Å; G205-K207 VanDerWaalsContact C-N 3.25Å; G205-K207 WeakPolarHBondContact O-CG 3.46Å; G205-K207 PolarHBondContact O-N 3.36Å
206	N	98.1	Very high	98.6	Very high	85 Å²	85	38 Å²	38	46%	0.455	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.1	29.7	-175.5	-67.5	-45.2	0	0	0	114.7	A202 D203 E204 R260	A202-N206 PolarHBondContact O-N 2.86Å; A202-N206 VanDerWaalsContact O-N 3.14Å; D203-N206 PolarHBondContact O-N 3.48Å; E204-N206 PolarHBondContact O-N 3.2Å; N206-R260 VanDerWaalsContact OD1-CZ 3.26Å; N206-R260 PolarHBondContact OD1-NH1 2.79Å
207	K	98.5	Very high	98.6	Very high	70 Å²	70	36.6 Å²	36.6	30%	0.304	19%	0.194	S	C	.	.			trans	-113.4	2.7	-177.8	-60.9	176.8	-172.5	-158.2	0	113.2	N135 S136 E137 A202 G205	N135-K207 CarbonylContact C-O 3.57Å; N135-K207 VanDerWaalsContact CA-O 3.28Å; N135-K207 WeakPolarHBondContact CA-O 3.41Å; S136-K207 PolarHBondContact N-O 2.79Å; S136-K207 WeakPolarHBondContact OG-CA 3.44Å; S136-K207 PolarHBondContact OG-O 3.48Å; E137-K207 VanDerWaalsContact CD-CE 3.42Å; E137-K207 VanDerWaalsContact CD-NZ 3.33Å; E137-K207 HydrophobicContact CG-CD 4.32Å; E137-K207 HydrophobicContact CG-CG 4.35Å; E137-K207 WeakPolarHBondContact OE1-CE 3.45Å; E137-K207 IonicContact OE1-NZ 2.8Å; E137-K207 PolarHBondContact OE1-NZ 3.14Å; E137-K207 WeakPolarHBondContact OE2-CD 3.39Å; E137-K207 VanDerWaalsContact OE2-CE 3.26Å; E137-K207 WeakPolarHBondContact OE2-CE 3.33Å; E137-K207 IonicContact OE2-NZ 2.73Å; E137-K207 PolarHBondContact OE2-NZ 2.94Å; A202-K207 PolarHBondContact O-N 3.15Å; G205-K207 VanDerWaalsContact C-N 3.25Å; G205-K207 WeakPolarHBondContact O-CG 3.46Å; G205-K207 PolarHBondContact O-N 3.36Å
208	L	98.8	Very high	98.6	Very high	4 Å²	4	29.2 Å²	29.2	2%	0.021	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	129.4	-178.7	176.5	60.1	0	0	0	111.6	A133 L142 L193 V199 A202 D203 F210 T261	A133-L208 HydrophobicContact CB-CD1 4.01Å; L142-L208 HydrophobicContact CD1-CD1 3.68Å; L193-L208 HydrophobicContact CD2-CD2 3.79Å; V199-L208 HydrophobicContact CG1-CD1 4.03Å; V199-L208 HydrophobicContact CG1-CD2 3.87Å; A202-L208 HydrophobicContact CB-CB 4.06Å; A202-L208 PolarHBondContact O-N 2.86Å; D203-L208 HydrophobicContact CB-CB 4.3Å; D203-L208 HydrophobicContact CB-CD2 3.71Å; L208-F210 HydrophobicContact CD1-CE1 4.45Å; L208-F210 HydrophobicContact CD1-CZ 4.38Å; L208-F210 HydrophobicContact CD2-CD2 4.14Å; L208-F210 HydrophobicContact CD2-CE2 3.53Å; L208-F210 HydrophobicContact CD2-CZ 3.82Å; L208-F210 HydrophobicContact CG-CD2 4.32Å; L208-F210 HydrophobicContact CG-CE2 4.17Å; L208-F210 HydrophobicContact CG-CZ 4.48Å; L208-T261 HydrophobicContact CB-CG2 4.28Å; L208-T261 HydrophobicContact CD2-CG2 4.26Å; L208-T261 HydrophobicContact CG-CG2 4.17Å
209	L	98.9	Very high	98.6	Very high	18 Å²	18	28 Å²	28	9%	0.094	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	134.7	162.1	-57.4	177.8	0	0	0	109.3	A133 W134 W219	A133-L209 WeakPolarHBondContact CA-O 3.42Å; W134-L209 HydrophobicContact CD2-CB 4.09Å; W134-L209 HydrophobicContact CG-CB 4.42Å; W134-L209 HydrophobicContact CZ2-CB 3.87Å; W134-L209 HydrophobicContact CZ2-CD1 4.42Å; W134-L209 PolarHBondContact N-O 3.24Å; W134-L209 PolarHBondContact O-N 2.91Å; L209-W219 HydrophobicContact CD1-CD2 4.44Å; L209-W219 HydrophobicContact CD1-CE3 4.17Å; L209-W219 HydrophobicContact CD1-CH2 3.57Å; L209-W219 HydrophobicContact CD1-CZ2 3.85Å; L209-W219 HydrophobicContact CD1-CZ3 3.74Å
210	F	98.9	Very high	98.6	Very high	1 Å²	1	29.6 Å²	29.6	0%	0.004	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	158.7	166.4	-77.5	-61	0	0	0	110.2	T131 I132 A133 M189 L192 L193 V199 L208 H227 T261 P263	T131-F210 HydrophobicContact CG2-CD1 4.12Å; I132-F210 WeakPolarHBondContact O-CA 3.49Å; A133-F210 HydrophobicContact CB-CD1 3.84Å; A133-F210 HydrophobicContact CB-CE1 3.63Å; M189-F210 HydrophobicContact CB-CD1 4.36Å; M189-F210 HydrophobicContact CB-CD2 4.27Å; M189-F210 HydrophobicContact CB-CE1 4.1Å; M189-F210 HydrophobicContact CB-CE2 4Å; M189-F210 HydrophobicContact CB-CG 4.44Å; M189-F210 HydrophobicContact CB-CZ 3.92Å; M189-F210 HydrophobicContact CE-CB 4.1Å; M189-F210 HydrophobicContact CG-CB 4.39Å; M189-F210 HydrophobicContact CG-CD1 3.87Å; M189-F210 HydrophobicContact CG-CD2 4.14Å; M189-F210 HydrophobicContact CG-CE1 4.09Å; M189-F210 HydrophobicContact CG-CE2 4.35Å; M189-F210 HydrophobicContact CG-CG 3.9Å; M189-F210 HydrophobicContact CG-CZ 4.33Å; M189-F210 HydrophobicContact SD-CB 4.39Å; M189-F210 HydrophobicContact SD-CD2 4.48Å; M189-F210 HydrophobicContact SD-CG 4.38Å; L192-F210 HydrophobicContact CB-CE1 4.29Å; L192-F210 HydrophobicContact CB-CZ 4.44Å; L192-F210 HydrophobicContact CD1-CE1 3.88Å; L193-F210 HydrophobicContact CD1-CE2 4.18Å; L193-F210 HydrophobicContact CD1-CZ 4.45Å; L193-F210 HydrophobicContact CG-CE2 4.21Å; L193-F210 HydrophobicContact CG-CZ 4.07Å; V199-F210 HydrophobicContact CG1-CE1 4.4Å; V199-F210 HydrophobicContact CG1-CZ 3.99Å; L208-F210 HydrophobicContact CD1-CE1 4.45Å; L208-F210 HydrophobicContact CD1-CZ 4.38Å; L208-F210 HydrophobicContact CD2-CD2 4.14Å; L208-F210 HydrophobicContact CD2-CE2 3.53Å; L208-F210 HydrophobicContact CD2-CZ 3.82Å; L208-F210 HydrophobicContact CG-CD2 4.32Å; L208-F210 HydrophobicContact CG-CE2 4.17Å; L208-F210 HydrophobicContact CG-CZ 4.48Å; F210-H227 PolarHBondContact O-NE2 2.8Å; F210-T261 PolarHBondContact N-O 2.87Å; F210-P263 WeakPolarHBondContact O-CD 3.42Å
211	G	98.8	Very high	98.7	Very high	2 Å²	2	28.2 Å²	28.2	2%	0.021	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-177.9	173.1	167.6	0	0	0	0	0	111.9	I132	I132-G211 PolarHBondContact N-O 3.36Å; I132-G211 PolarHBondContact O-N 2.9Å; I132-G211 VanDerWaalsContact O-N 3.12Å
212	T	98.8	Very high	98.7	Very high	4 Å²	4	23.3 Å²	23.3	3%	0.025	12%	0.124	C	C	.	.			trans	-84.8	178.1	165.8	40.3	0	0	0	0	110.3	T130 D214 S215 W216	T130-T212 WeakPolarHBondContact O-CA 3.43Å; T212-D214 VanDerWaalsContact C-N 3.32Å; T212-D214 VanDerWaalsContact CB-OD1 3.22Å; T212-D214 WeakPolarHBondContact CB-OD1 3.38Å; T212-D214 PolarHBondContact O-N 3.31Å; T212-D214 PolarHBondContact OG1-OD1 3.02Å; T212-S215 PolarHBondContact O-N 3.36Å; T212-S215 VanDerWaalsContact O-N 3.15Å; T212-W216 PolarHBondContact O-N 2.98Å; T212-W216 VanDerWaalsContact O-N 3.16Å
213	V	98.9	Very high	98.6	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-60.1	-37.6	-174.1	171	0	0	0	0	112.8	Q52 I94 N126 Q127 T130 I132 W216 L217	Q52-V213 HydrophobicContact CB-CG1 3.93Å; Q52-V213 HydrophobicContact CG-CG1 3.67Å; I94-V213 HydrophobicContact CG2-CG1 4.11Å; N126-V213 HydrophobicContact CB-CB 3.88Å; N126-V213 HydrophobicContact CB-CG1 3.78Å; Q127-V213 HydrophobicContact CG-CG2 3.89Å; T130-V213 HydrophobicContact CG2-CG2 3.9Å; I132-V213 HydrophobicContact CD1-CG2 4.22Å; V213-W216 PolarHBondContact O-N 3.16Å; V213-L217 HydrophobicContact CG1-CD1 3.96Å; V213-L217 HydrophobicContact CG1-CG 4.15Å; V213-L217 VanDerWaalsContact O-CG 3.27Å; V213-L217 WeakPolarHBondContact O-CG 3.5Å; V213-L217 PolarHBondContact O-N 3.31Å
214	D	98.8	Very high	98.6	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-54.8	-51	172	56	-40.7	0	0	0	112.2	N126 T212 W216 L217 I218 T229 N233 I290	N126-D214 PolarHBondContact ND2-N 2.92Å; N126-D214 WeakPolarHBondContact OD1-CB 3.22Å; T212-D214 VanDerWaalsContact C-N 3.32Å; T212-D214 VanDerWaalsContact CB-OD1 3.22Å; T212-D214 WeakPolarHBondContact CB-OD1 3.38Å; T212-D214 PolarHBondContact O-N 3.31Å; T212-D214 PolarHBondContact OG1-OD1 3.02Å; D214-W216 VanDerWaalsContact C-N 3.3Å; D214-W216 PolarHBondContact O-N 3.49Å; D214-L217 PolarHBondContact O-N 3.26Å; D214-I218 WeakPolarHBondContact O-CB 3.43Å; D214-I218 WeakPolarHBondContact O-CD1 3.43Å; D214-I218 VanDerWaalsContact O-CG1 3.26Å; D214-I218 WeakPolarHBondContact O-CG1 3.09Å; D214-I218 PolarHBondContact O-N 2.86Å; D214-T229 VanDerWaalsContact OD2-CA 3.28Å; D214-T229 WeakPolarHBondContact OD2-CA 3.37Å; D214-T229 WeakPolarHBondContact OD2-CB 3.2Å; D214-T229 PolarHBondContact OD2-OG1 3.11Å; D214-N233 PolarHBondContact OD2-ND2 3.47Å; D214-I290 HydrophobicContact CB-CG2 3.71Å
215	S	98.9	Very high	98.6	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-59.8	-42.2	179.7	-58.6	0	0	0	0	112	T212 W219 V228 T229	T212-S215 PolarHBondContact O-N 3.36Å; T212-S215 VanDerWaalsContact O-N 3.15Å; S215-W219 VanDerWaalsContact O-CB 3.22Å; S215-W219 WeakPolarHBondContact O-CB 3.47Å; S215-W219 PolarHBondContact O-N 3.47Å; S215-V228 WeakPolarHBondContact CA-O 3.18Å; S215-V228 VanDerWaalsContact CB-O 3.24Å; S215-V228 WeakPolarHBondContact CB-O 3.42Å; S215-V228 PolarHBondContact OG-O 2.91Å; S215-T229 WeakPolarHBondContact OG-CB 3.49Å
216	W	98.9	Very high	98.6	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-63.3	-47.6	176.6	172.2	-114.1	0	0	0	112.2	A91 I132 W134 P141 T212 V213 D214 I218 W219 K220	A91-W216 HydrophobicContact CB-CZ2 4.22Å; A91-W216 PolarHBondContact O-NE1 2.97Å; I132-W216 HydrophobicContact CD1-CB 3.63Å; I132-W216 HydrophobicContact CD1-CD2 4.45Å; I132-W216 HydrophobicContact CD1-CG 3.64Å; I132-W216 HydrophobicContact CG2-CD2 4.29Å; I132-W216 HydrophobicContact CG2-CE3 4.31Å; I132-W216 HydrophobicContact CG2-CG 4.45Å; W134-W216 HydrophobicContact CB-CE3 4.27Å; W134-W216 HydrophobicContact CB-CZ3 3.67Å; W134-W216 AromaticContact CD2-CE3 3.73Å; W134-W216 HydrophobicContact CD2-CE3 3.73Å; W134-W216 AromaticContact CD2-CZ3 3.98Å; W134-W216 HydrophobicContact CD2-CZ3 3.98Å; W134-W216 AromaticContact CE3-CE3 3.85Å; W134-W216 HydrophobicContact CE3-CE3 3.85Å; W134-W216 HydrophobicContact CE3-CZ3 4.42Å; W134-W216 AromaticContact CG-CE3 3.94Å; W134-W216 HydrophobicContact CG-CE3 3.94Å; W134-W216 AromaticContact CG-CZ3 3.66Å; W134-W216 HydrophobicContact CG-CZ3 3.66Å; W134-W216 HydrophobicContact CZ3-CB 4.42Å; W134-W216 HydrophobicContact CZ3-CE3 4.43Å; P141-W216 HydrophobicContact CG-CH2 3.65Å; P141-W216 HydrophobicContact CG-CZ2 3.87Å; P141-W216 HydrophobicContact CG-CZ3 4.5Å; T212-W216 PolarHBondContact O-N 2.98Å; T212-W216 VanDerWaalsContact O-N 3.16Å; V213-W216 PolarHBondContact O-N 3.16Å; D214-W216 VanDerWaalsContact C-N 3.3Å; D214-W216 PolarHBondContact O-N 3.49Å; W216-I218 PolarHBondContact O-N 2.84Å; W216-W219 PolarHBondContact O-N 2.89Å; W216-K220 HydrophobicContact CD2-CG 4.07Å; W216-K220 HydrophobicContact CE3-CD 4.42Å; W216-K220 HydrophobicContact CE3-CG 4.23Å; W216-K220 HydrophobicContact CH2-CD 3.57Å; W216-K220 HydrophobicContact CH2-CG 3.99Å; W216-K220 HydrophobicContact CZ2-CD 3.82Å; W216-K220 HydrophobicContact CZ2-CG 3.8Å; W216-K220 HydrophobicContact CZ3-CD 3.89Å; W216-K220 HydrophobicContact CZ3-CG 4.19Å; W216-K220 WeakPolarHBondContact O-CG 3.27Å; W216-K220 PolarHBondContact O-N 3.39Å
217	L	98.9	Very high	98.6	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-62.1	-43.6	179	-69.1	177.9	0	0	0	111.6	I50 Q52 I94 Y95 I98 I124 V213 D214 K220 L221	I50-L217 HydrophobicContact CG2-CD1 4.27Å; Q52-L217 HydrophobicContact CB-CD1 3.81Å; Q52-L217 HydrophobicContact CG-CD1 4.05Å; I94-L217 HydrophobicContact CG2-CD2 4.19Å; Y95-L217 HydrophobicContact CD2-CD2 4.15Å; I98-L217 HydrophobicContact CB-CD2 4.25Å; I98-L217 HydrophobicContact CG1-CD1 4.49Å; I98-L217 HydrophobicContact CG1-CD2 3.96Å; I98-L217 HydrophobicContact CG2-CD2 4.36Å; I124-L217 HydrophobicContact CG2-CD1 4.27Å; V213-L217 HydrophobicContact CG1-CD1 3.96Å; V213-L217 HydrophobicContact CG1-CG 4.15Å; V213-L217 VanDerWaalsContact O-CG 3.27Å; V213-L217 WeakPolarHBondContact O-CG 3.5Å; V213-L217 PolarHBondContact O-N 3.31Å; D214-L217 PolarHBondContact O-N 3.26Å; L217-K220 PolarHBondContact O-N 3.03Å; L217-L221 VanDerWaalsContact O-CB 3.29Å; L217-L221 WeakPolarHBondContact O-CB 3.4Å; L217-L221 VanDerWaalsContact O-CG 3.23Å; L217-L221 WeakPolarHBondContact O-CG 3.25Å; L217-L221 PolarHBondContact O-N 2.93Å
218	I	98.9	Very high	98.6	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-65.8	-44.5	178.5	-66.1	161.6	0	0	0	110.5	I124 D214 W216 K220 L221 T222 C226 V228 I272 I287 I290	I124-I218 HydrophobicContact CD1-CD1 4.22Å; I124-I218 HydrophobicContact CD1-CG1 3.55Å; D214-I218 WeakPolarHBondContact O-CB 3.43Å; D214-I218 WeakPolarHBondContact O-CD1 3.43Å; D214-I218 VanDerWaalsContact O-CG1 3.26Å; D214-I218 WeakPolarHBondContact O-CG1 3.09Å; D214-I218 PolarHBondContact O-N 2.86Å; W216-I218 PolarHBondContact O-N 2.84Å; I218-K220 VanDerWaalsContact C-N 3.3Å; I218-K220 PolarHBondContact O-N 2.93Å; I218-L221 PolarHBondContact O-N 3.09Å; I218-T222 HydrophobicContact CG2-CG2 3.91Å; I218-T222 VanDerWaalsContact O-CB 3.28Å; I218-T222 WeakPolarHBondContact O-CB 3.17Å; I218-T222 VanDerWaalsContact O-CG2 3.24Å; I218-T222 WeakPolarHBondContact O-CG2 3.18Å; I218-T222 PolarHBondContact O-N 3.29Å; I218-T222 PolarHBondContact O-OG1 2.92Å; I218-C226 HydrophobicContact CG2-CB 3.76Å; I218-V228 HydrophobicContact CB-CG2 4.4Å; I218-V228 HydrophobicContact CD1-CG2 3.86Å; I218-V228 HydrophobicContact CG2-CG2 3.74Å; I218-I272 HydrophobicContact CD1-CG2 4.15Å; I218-I272 HydrophobicContact CG2-CG2 4.28Å; I218-I287 HydrophobicContact CG1-CD1 4.41Å; I218-I290 HydrophobicContact CD1-CD1 3.28Å; I218-I290 HydrophobicContact CD1-CG1 3.77Å
219	W	98.8	Very high	98.6	Very high	18 Å²	18	18.7 Å²	18.7	7%	0.068	10%	0.098	C	C	.	.	H	α-helix	trans	-54.4	-47.3	175.9	179.3	-99.2	0	0	0	111.5	W134 L209 S215 W216 T222 S223 Q224 C226 H227	W134-W219 AromaticContact CD1-CD1 3.92Å; W134-W219 AromaticContact CD1-CE2 3.99Å; W134-W219 AromaticContact CD1-NE1 3.59Å; W134-W219 HydrophobicContact CZ2-CB 4.34Å; W134-W219 HydrophobicContact CZ2-CG 4.34Å; W134-W219 AromaticContact NE1-CD1 3.49Å; W134-W219 AromaticContact NE1-CD2 3.6Å; W134-W219 AromaticContact NE1-CE2 3.46Å; W134-W219 AromaticContact NE1-CG 3.63Å; W134-W219 AromaticContact NE1-NE1 3.38Å; L209-W219 HydrophobicContact CD1-CD2 4.44Å; L209-W219 HydrophobicContact CD1-CE3 4.17Å; L209-W219 HydrophobicContact CD1-CH2 3.57Å; L209-W219 HydrophobicContact CD1-CZ2 3.85Å; L209-W219 HydrophobicContact CD1-CZ3 3.74Å; S215-W219 VanDerWaalsContact O-CB 3.22Å; S215-W219 WeakPolarHBondContact O-CB 3.47Å; S215-W219 PolarHBondContact O-N 3.47Å; W216-W219 PolarHBondContact O-N 2.89Å; W219-T222 PolarHBondContact O-OG1 2.79Å; W219-S223 PolarHBondContact O-N 2.77Å; W219-Q224 HydrophobicContact CD2-CB 4.25Å; W219-Q224 HydrophobicContact CD2-CG 4.5Å; W219-Q224 HydrophobicContact CH2-CB 3.86Å; W219-Q224 WeakPolarHBondContact CH2-O 3.27Å; W219-Q224 HydrophobicContact CZ2-CB 3.44Å; W219-Q224 VanDerWaalsContact CZ2-CB 3.44Å; W219-Q224 HydrophobicContact CZ2-CG 3.79Å; W219-Q224 HydrophobicContact CZ3-CB 4.41Å; W219-Q224 VanDerWaalsContact CZ3-O 3.29Å; W219-Q224 WeakPolarHBondContact CZ3-O 3.39Å; W219-Q224 PolarHBondContact O-N 3.4Å; W219-C226 WeakPolarHBondContact CA-O 3.34Å; W219-H227 HydrophobicContact CE3-CB 3.8Å; W219-H227 HydrophobicContact CZ3-CB 3.85Å
220	K	98.8	Very high	98.6	Very high	35 Å²	35	17.9 Å²	17.9	15%	0.152	9%	0.094	C	C	.	.	H	α-helix	trans	-71.1	-47.3	179.5	-61.2	-62.4	-81.2	-169	0	112.6	Y95 G139 E140 W216 L217 I218 T222 S223	Y95-K220 HydrophobicContact CD1-CB 4.04Å; Y95-K220 HydrophobicContact CD1-CG 4.3Å; Y95-K220 HydrophobicContact CD2-CB 3.44Å; Y95-K220 VanDerWaalsContact CD2-CB 3.44Å; Y95-K220 HydrophobicContact CD2-CG 4.04Å; Y95-K220 HydrophobicContact CE1-CB 3.91Å; Y95-K220 HydrophobicContact CE2-CB 3.3Å; Y95-K220 HydrophobicContact CE2-CG 4.36Å; Y95-K220 HydrophobicContact CG-CB 3.81Å; Y95-K220 HydrophobicContact CG-CG 4.01Å; G139-K220 PolarHBondContact O-NZ 3.46Å; E140-K220 IonicContact OE1-NZ 3.79Å; W216-K220 HydrophobicContact CD2-CG 4.07Å; W216-K220 HydrophobicContact CE3-CD 4.42Å; W216-K220 HydrophobicContact CE3-CG 4.23Å; W216-K220 HydrophobicContact CH2-CD 3.57Å; W216-K220 HydrophobicContact CH2-CG 3.99Å; W216-K220 HydrophobicContact CZ2-CD 3.82Å; W216-K220 HydrophobicContact CZ2-CG 3.8Å; W216-K220 HydrophobicContact CZ3-CD 3.89Å; W216-K220 HydrophobicContact CZ3-CG 4.19Å; W216-K220 WeakPolarHBondContact O-CG 3.27Å; W216-K220 PolarHBondContact O-N 3.39Å; L217-K220 PolarHBondContact O-N 3.03Å; I218-K220 VanDerWaalsContact C-N 3.3Å; I218-K220 PolarHBondContact O-N 2.93Å; K220-T222 VanDerWaalsContact C-N 3.3Å; K220-T222 PolarHBondContact O-N 2.88Å; K220-S223 PolarHBondContact O-N 2.62Å
221	L	98.8	Very high	98.6	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-61.4	-37.8	179.9	-73.9	171.8	0	0	0	112.4	I50 Y95 L102 I124 L217 I218 S223 I275 Q276 D277 I287	I50-L221 HydrophobicContact CD1-CD1 3.74Å; Y95-L221 HydrophobicContact CE2-CD2 4.03Å; Y95-L221 HydrophobicContact CE2-CG 4.07Å; L102-L221 HydrophobicContact CD1-CD2 3.78Å; I124-L221 HydrophobicContact CD1-CD1 4.37Å; L217-L221 VanDerWaalsContact O-CB 3.29Å; L217-L221 WeakPolarHBondContact O-CB 3.4Å; L217-L221 VanDerWaalsContact O-CG 3.23Å; L217-L221 WeakPolarHBondContact O-CG 3.25Å; L217-L221 PolarHBondContact O-N 2.93Å; I218-L221 PolarHBondContact O-N 3.09Å; L221-S223 VanDerWaalsContact C-N 3.26Å; L221-S223 PolarHBondContact O-N 3.25Å; L221-I275 HydrophobicContact CB-CG1 4.39Å; L221-I275 HydrophobicContact CD2-CG2 4.26Å; L221-I275 CarbonylContact O-C 3.3Å; L221-I275 WeakPolarHBondContact O-CA 3.16Å; L221-Q276 PolarHBondContact O-N 3.35Å; L221-D277 PolarHBondContact O-N 2.81Å; L221-I287 HydrophobicContact CB-CD1 4.42Å; L221-I287 HydrophobicContact CD1-CD1 4.34Å
222	T	98.7	Very high	98.6	Very high	2 Å²	2	17.9 Å²	17.9	1%	0.012	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	4.5	178.9	65.2	0	0	0	0	113.1	I218 W219 K220 M225 C226 I287	I218-T222 HydrophobicContact CG2-CG2 3.91Å; I218-T222 VanDerWaalsContact O-CB 3.28Å; I218-T222 WeakPolarHBondContact O-CB 3.17Å; I218-T222 VanDerWaalsContact O-CG2 3.24Å; I218-T222 WeakPolarHBondContact O-CG2 3.18Å; I218-T222 PolarHBondContact O-N 3.29Å; I218-T222 PolarHBondContact O-OG1 2.92Å; W219-T222 PolarHBondContact O-OG1 2.79Å; K220-T222 VanDerWaalsContact C-N 3.3Å; K220-T222 PolarHBondContact O-N 2.88Å; T222-M225 WeakPolarHBondContact O-CB 3.36Å; T222-M225 WeakPolarHBondContact O-CG 3.4Å; T222-M225 PolarHBondContact O-N 3.05Å; T222-C226 HydrophobicContact CG2-CB 4.01Å; T222-C226 PolarHBondContact OG1-N 2.79Å; T222-I287 HydrophobicContact CG2-CD1 4.26Å
223	S	98	Very high	98.6	Very high	55 Å²	55	17.7 Å²	17.7	39%	0.385	9%	0.093	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.1	51.4	-178	-58.4	0	0	0	0	113.1	W219 K220 L221 M225 D277	W219-S223 PolarHBondContact O-N 2.77Å; K220-S223 PolarHBondContact O-N 2.62Å; L221-S223 VanDerWaalsContact C-N 3.26Å; L221-S223 PolarHBondContact O-N 3.25Å; S223-M225 VanDerWaalsContact C-N 3.28Å; S223-M225 PolarHBondContact O-N 2.56Å; S223-D277 WeakPolarHBondContact OG-CA 3.4Å; S223-D277 PolarHBondContact OG-N 2.9Å
224	Q	97.8	Very high	98.6	Very high	73 Å²	73	17.7 Å²	17.7	34%	0.341	9%	0.093	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.5	14.3	175.8	-46.9	-171	58.8	0	0	115.1	S136 W219	S136-Q224 PolarHBondContact O-OE1 3.27Å; W219-Q224 HydrophobicContact CD2-CB 4.25Å; W219-Q224 HydrophobicContact CD2-CG 4.5Å; W219-Q224 HydrophobicContact CH2-CB 3.86Å; W219-Q224 WeakPolarHBondContact CH2-O 3.27Å; W219-Q224 HydrophobicContact CZ2-CB 3.44Å; W219-Q224 VanDerWaalsContact CZ2-CB 3.44Å; W219-Q224 HydrophobicContact CZ2-CG 3.79Å; W219-Q224 HydrophobicContact CZ3-CB 4.41Å; W219-Q224 VanDerWaalsContact CZ3-O 3.29Å; W219-Q224 WeakPolarHBondContact CZ3-O 3.39Å; W219-Q224 PolarHBondContact O-N 3.4Å
225	M	97.1	Very high	98.6	Very high	113 Å²	113	17.8 Å²	17.8	56%	0.557	9%	0.093	S	C	*	.	S	Bend	trans	-87	-25.6	-178.1	-63.6	-62.6	-61.3	0	0	113.4	Y28 T222 S223	Y28-M225 HydrophobicContact CD1-CE 4.47Å; Y28-M225 HydrophobicContact CG-CE 4.2Å; T222-M225 WeakPolarHBondContact O-CB 3.36Å; T222-M225 WeakPolarHBondContact O-CG 3.4Å; T222-M225 PolarHBondContact O-N 3.05Å; S223-M225 VanDerWaalsContact C-N 3.28Å; S223-M225 PolarHBondContact O-N 2.56Å
226	C	98.1	Very high	98.6	Very high	26 Å²	26	17.8 Å²	17.8	18%	0.176	9%	0.093	C	C	.	.			trans	-128.9	115.7	-174.4	-58.9	0	0	0	0	111.5	I218 W219 T222 V228	I218-C226 HydrophobicContact CG2-CB 3.76Å; W219-C226 WeakPolarHBondContact CA-O 3.34Å; T222-C226 HydrophobicContact CG2-CB 4.01Å; T222-C226 PolarHBondContact OG1-N 2.79Å; C226-V228 HydrophobicContact CB-CG2 4.44Å
227	H	98.7	Very high	98.6	Very high	32 Å²	32	18 Å²	18	15%	0.148	9%	0.094	C	C	.	.			trans	-110.3	92	169.3	-180	-141.9	0	0	0	109.6	W134 F210 W219 T261 P263 K264	W134-H227 AromaticContact CH2-CD2 3.98Å; W134-H227 AromaticContact CH2-NE2 3.89Å; W134-H227 AromaticContact CZ2-CD2 3.53Å; W134-H227 AromaticContact CZ2-NE2 3.72Å; F210-H227 PolarHBondContact O-NE2 2.8Å; W219-H227 HydrophobicContact CE3-CB 3.8Å; W219-H227 HydrophobicContact CZ3-CB 3.85Å; H227-T261 PolarHBondContact CE1-O 2.87Å; H227-P263 VanDerWaalsContact CE1-CA 3.42Å; H227-P263 WeakPolarHBondContact CE1-CA 3.49Å; H227-P263 VanDerWaalsContact CE1-N 3.28Å; H227-K264 PolarHBondContact O-N 2.52Å
228	V	98.8	Very high	98.5	Very high	13 Å²	13	18 Å²	18	8%	0.079	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	155.3	-168	-60.6	0	0	0	0	111.5	S215 I218 C226 K264 V266 I272	S215-V228 WeakPolarHBondContact CA-O 3.18Å; S215-V228 VanDerWaalsContact CB-O 3.24Å; S215-V228 WeakPolarHBondContact CB-O 3.42Å; S215-V228 PolarHBondContact OG-O 2.91Å; I218-V228 HydrophobicContact CB-CG2 4.4Å; I218-V228 HydrophobicContact CD1-CG2 3.86Å; I218-V228 HydrophobicContact CG2-CG2 3.74Å; C226-V228 HydrophobicContact CB-CG2 4.44Å; V228-K264 CarbonylContact C-O 3.24Å; V228-K264 WeakPolarHBondContact CA-O 3.26Å; V228-K264 HydrophobicContact CG1-CB 4.28Å; V228-V266 HydrophobicContact CB-CG1 4.26Å; V228-V266 HydrophobicContact CB-CG2 4.37Å; V228-V266 HydrophobicContact CG1-CG1 4.28Å; V228-I272 HydrophobicContact CG2-CG2 3.84Å
229	T	98.8	Very high	98.5	Very high	1 Å²	1	18 Å²	18	1%	0.006	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	152.9	171.1	-168.8	0	0	0	0	108.7	D214 S215 N233 A234 W247 P263 K264 I265 V266	D214-T229 VanDerWaalsContact OD2-CA 3.28Å; D214-T229 WeakPolarHBondContact OD2-CA 3.37Å; D214-T229 WeakPolarHBondContact OD2-CB 3.2Å; D214-T229 PolarHBondContact OD2-OG1 3.11Å; S215-T229 WeakPolarHBondContact OG-CB 3.49Å; T229-N233 VanDerWaalsContact OG1-CB 3.25Å; T229-N233 WeakPolarHBondContact OG1-CB 3.47Å; T229-A234 HydrophobicContact CG2-CB 3.97Å; T229-W247 HydrophobicContact CG2-CH2 4.34Å; T229-W247 HydrophobicContact CG2-CZ2 3.89Å; T229-P263 HydrophobicContact CG2-CB 4.1Å; T229-P263 HydrophobicContact CG2-CG 3.55Å; T229-K264 PolarHBondContact N-O 3.34Å; T229-I265 HydrophobicContact CG2-CG1 4.28Å; T229-I265 CarbonylContact O-C 3.58Å; T229-I265 VanDerWaalsContact O-CA 3.3Å; T229-I265 WeakPolarHBondContact O-CA 3.45Å; T229-V266 WeakPolarHBondContact O-CG2 3.43Å; T229-V266 PolarHBondContact O-N 3.35Å
230	D	98.7	Very high	98.5	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	166.2	175.2	90.2	-53.6	0	0	0	113.2	T232 N233 A234 V266 S268 I290	D230-T232 VanDerWaalsContact CG-N 3.32Å; D230-T232 PolarHBondContact O-N 3.3Å; D230-T232 VanDerWaalsContact O-N 3.15Å; D230-T232 PolarHBondContact OD1-N 3.01Å; D230-T232 PolarHBondContact OD1-OG1 2.77Å; D230-T232 VanDerWaalsContact OD2-CB 3.24Å; D230-T232 WeakPolarHBondContact OD2-CB 3.44Å; D230-T232 VanDerWaalsContact OD2-CG2 3.28Å; D230-T232 WeakPolarHBondContact OD2-CG2 3.38Å; D230-T232 PolarHBondContact OD2-N 3.01Å; D230-T232 PolarHBondContact OD2-OG1 2.79Å; D230-N233 PolarHBondContact O-N 3.34Å; D230-N233 PolarHBondContact OD1-N 3.11Å; D230-N233 PolarHBondContact OD1-ND2 2.94Å; D230-A234 WeakPolarHBondContact O-CB 3.39Å; D230-A234 PolarHBondContact O-N 3.36Å; D230-V266 CarbonylContact C-O 2.99Å; D230-V266 VanDerWaalsContact CA-O 3.29Å; D230-V266 WeakPolarHBondContact CA-O 3.15Å; D230-V266 HydrophobicContact CB-CG2 4.26Å; D230-S268 PolarHBondContact OD2-OG 3.11Å; D230-I290 HydrophobicContact CB-CB 3.82Å; D230-I290 HydrophobicContact CB-CD1 4.42Å; D230-I290 HydrophobicContact CB-CG2 3.86Å; D230-I290 WeakPolarHBondContact OD1-CG2 3.47Å
231	V	98.7	Very high	98.5	Very high	4 Å²	4	16.5 Å²	16.5	2%	0.024	9%	0.089	C	C	.	.	H	α-helix	trans	-54.1	-30.9	175.2	-68.2	0	0	0	0	113.6	S235 F240 I265 V266 I349 K352	V231-S235 WeakPolarHBondContact O-CB 3.03Å; V231-S235 PolarHBondContact O-N 3.35Å; V231-S235 PolarHBondContact O-OG 3.05Å; V231-F240 HydrophobicContact CB-CZ 4.24Å; V231-F240 HydrophobicContact CG1-CE2 4.44Å; V231-F240 HydrophobicContact CG1-CZ 4.2Å; V231-I265 HydrophobicContact CG1-CG2 3.73Å; V231-V266 PolarHBondContact N-O 2.88Å; V231-I349 HydrophobicContact CB-CG2 4.17Å; V231-I349 HydrophobicContact CG2-CG2 3.76Å; V231-K352 HydrophobicContact CG2-CB 3.76Å
232	T	98.7	Very high	98.5	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-72.2	-45.8	-179.4	68.2	0	0	0	0	111.7	D230 S235 R236 L291 G292 Q295 I349	D230-T232 VanDerWaalsContact CG-N 3.32Å; D230-T232 PolarHBondContact O-N 3.3Å; D230-T232 VanDerWaalsContact O-N 3.15Å; D230-T232 PolarHBondContact OD1-N 3.01Å; D230-T232 PolarHBondContact OD1-OG1 2.77Å; D230-T232 VanDerWaalsContact OD2-CB 3.24Å; D230-T232 WeakPolarHBondContact OD2-CB 3.44Å; D230-T232 VanDerWaalsContact OD2-CG2 3.28Å; D230-T232 WeakPolarHBondContact OD2-CG2 3.38Å; D230-T232 PolarHBondContact OD2-N 3.01Å; D230-T232 PolarHBondContact OD2-OG1 2.79Å; T232-S235 PolarHBondContact O-OG 3.41Å; T232-R236 WeakPolarHBondContact O-CG 3.48Å; T232-L291 HydrophobicContact CG2-CD2 3.65Å; T232-L291 WeakPolarHBondContact OG1-CA 3.4Å; T232-G292 PolarHBondContact OG1-N 3.48Å; T232-Q295 HydrophobicContact CG2-CB 3.91Å; T232-Q295 HydrophobicContact CG2-CG 3.69Å; T232-I349 HydrophobicContact CG2-CG2 4.13Å
233	N	98.9	Very high	98.3	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-67.6	-45	173.2	-78.6	-77.1	0	0	0	112	N126 D214 T229 D230 S235 R236 G292	N126-N233 PolarHBondContact ND2-OD1 3.36Å; N126-N233 PolarHBondContact OD1-ND2 3.29Å; N126-N233 PolarHBondContact OD1-OD1 3.06Å; D214-N233 PolarHBondContact OD2-ND2 3.47Å; T229-N233 VanDerWaalsContact OG1-CB 3.25Å; T229-N233 WeakPolarHBondContact OG1-CB 3.47Å; D230-N233 PolarHBondContact O-N 3.34Å; D230-N233 PolarHBondContact OD1-N 3.11Å; D230-N233 PolarHBondContact OD1-ND2 2.94Å; N233-S235 VanDerWaalsContact C-N 3.29Å; N233-S235 PolarHBondContact O-N 3.48Å; N233-R236 WeakPolarHBondContact O-CB 3.31Å; N233-R236 PolarHBondContact O-N 2.85Å; N233-G292 PolarHBondContact ND2-N 3.45Å
234	A	98.8	Very high	98.2	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-56.6	-42.2	178.5	0	0	0	0	0	112.3	T229 D230 R236 T237 F240 W247 I265	T229-A234 HydrophobicContact CG2-CB 3.97Å; D230-A234 WeakPolarHBondContact O-CB 3.39Å; D230-A234 PolarHBondContact O-N 3.36Å; A234-R236 PolarHBondContact O-N 3.41Å; A234-T237 WeakPolarHBondContact O-CB 3.32Å; A234-T237 WeakPolarHBondContact O-CG2 3.5Å; A234-T237 PolarHBondContact O-N 2.77Å; A234-T237 VanDerWaalsContact O-N 3.13Å; A234-T237 PolarHBondContact O-OG1 2.71Å; A234-F240 HydrophobicContact CB-CB 4.39Å; A234-F240 HydrophobicContact CB-CD2 3.57Å; A234-F240 HydrophobicContact CB-CE2 3.98Å; A234-F240 HydrophobicContact CB-CG 4.12Å; A234-F240 WeakPolarHBondContact O-CB 3.44Å; A234-W247 HydrophobicContact CB-CH2 3.82Å; A234-W247 HydrophobicContact CB-CZ2 4.27Å; A234-W247 HydrophobicContact CB-CZ3 4.27Å; A234-I265 HydrophobicContact CB-CD1 4.3Å; A234-I265 HydrophobicContact CB-CG1 4.06Å
235	S	98.6	Very high	98.2	Very high	2 Å²	2	19.7 Å²	19.7	1%	0.014	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-8.5	179.4	76.5	0	0	0	0	114.8	L178 V231 T232 N233 T348	L178-S235 WeakPolarHBondContact CD1-O 3.42Å; V231-S235 WeakPolarHBondContact O-CB 3.03Å; V231-S235 PolarHBondContact O-N 3.35Å; V231-S235 PolarHBondContact O-OG 3.05Å; T232-S235 PolarHBondContact O-OG 3.41Å; N233-S235 VanDerWaalsContact C-N 3.29Å; N233-S235 PolarHBondContact O-N 3.48Å; S235-T348 PolarHBondContact OG-OG1 2.75Å
236	R	98.5	Very high	98.3	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.6	-0.4	-177.7	-55.3	-46.5	-57.6	-135.4	-20.5	114.7	R128 E129 Y183 F184 T232 N233 A234 T348 E364	R128-R236 HydrophobicContact CB-CG 4.26Å; E129-R236 HydrophobicContact CG-CB 3.8Å; E129-R236 WeakPolarHBondContact CG-O 3.36Å; E129-R236 VanDerWaalsContact OE1-CB 3.32Å; E129-R236 WeakPolarHBondContact OE1-CB 3.39Å; E129-R236 IonicContact OE1-CZ 3.28Å; E129-R236 IonicContact OE1-NE 3.67Å; E129-R236 PolarHBondContact OE1-NE 2.8Å; E129-R236 IonicContact OE1-NH2 3.41Å; E129-R236 PolarHBondContact OE1-NH2 3.05Å; Y183-R236 PolarHBondContact OH-NH2 3.31Å; F184-R236 WeakPolarHBondContact CD1-O 3.38Å; T232-R236 WeakPolarHBondContact O-CG 3.48Å; N233-R236 WeakPolarHBondContact O-CB 3.31Å; N233-R236 PolarHBondContact O-N 2.85Å; A234-R236 PolarHBondContact O-N 3.41Å; R236-T348 VanDerWaalsContact CD-OG1 3.32Å; R236-T348 WeakPolarHBondContact CD-OG1 3.46Å; R236-T348 PolarHBondContact NH1-OG1 3.28Å; R236-E364 IonicContact CZ-OE1 3.78Å; R236-E364 VanDerWaalsContact CZ-OE1 3.23Å; R236-E364 IonicContact CZ-OE2 2.97Å; R236-E364 IonicContact NH1-OE1 3.3Å; R236-E364 PolarHBondContact NH1-OE1 2.8Å; R236-E364 IonicContact NH1-OE2 2.86Å; R236-E364 PolarHBondContact NH1-OE2 3.42Å; R236-E364 IonicContact NH2-OE1 3.53Å; R236-E364 PolarHBondContact NH2-OE1 2.89Å; R236-E364 IonicContact NH2-OE2 3.06Å
237	T	98.6	Very high	98.3	Very high	3 Å²	3	21.4 Å²	21.4	2%	0.018	11%	0.109	C	C	.	.	S	Bend	trans	-86.3	-17.1	-171.5	57.8	0	0	0	0	114.2	A186 A234 L239 W247	A186-T237 WeakPolarHBondContact CB-O 3.28Å; A186-T237 PolarHBondContact N-O 2.91Å; A234-T237 WeakPolarHBondContact O-CB 3.32Å; A234-T237 WeakPolarHBondContact O-CG2 3.5Å; A234-T237 PolarHBondContact O-N 2.77Å; A234-T237 VanDerWaalsContact O-N 3.13Å; A234-T237 PolarHBondContact O-OG1 2.71Å; T237-L239 PolarHBondContact OG1-N 3.16Å; T237-W247 HydrophobicContact CG2-CH2 3.91Å; T237-W247 HydrophobicContact CG2-CZ3 3.95Å; T237-W247 WeakPolarHBondContact OG1-CZ3 3.37Å
238	L	98.4	Very high	98.3	Very high	1 Å²	1	21 Å²	21	1%	0.005	11%	0.108	C	C	.	.	S	Bend	trans	69.5	9.7	-164.1	-164.5	62.8	0	0	0	114.2	T176 L178 I180 F184 A186 F255	T176-L238 HydrophobicContact CG2-CD1 4.16Å; L178-L238 HydrophobicContact CB-CD1 3.81Å; L178-L238 HydrophobicContact CD1-CB 4.46Å; I180-L238 HydrophobicContact CG1-CD2 4.44Å; F184-L238 HydrophobicContact CB-CB 3.86Å; F184-L238 HydrophobicContact CG-CB 4.44Å; A186-L238 HydrophobicContact CB-CB 4.08Å; L238-F255 HydrophobicContact CD2-CE1 3.99Å; L238-F255 HydrophobicContact CD2-CE2 3.9Å; L238-F255 HydrophobicContact CD2-CZ 3.38Å; L238-F255 HydrophobicContact CG-CE2 3.78Å; L238-F255 HydrophobicContact CG-CZ 3.79Å
239	L	98.8	Very high	98.3	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.132	C	C	.	.			trans	-114.4	-4.1	176.8	-58	177	0	0	0	113.2	A186 M189 T237 W247 D248 L251 F255 I257 L262	A186-L239 HydrophobicContact CB-CD1 4.37Å; A186-L239 HydrophobicContact CB-CD2 3.84Å; A186-L239 HydrophobicContact CB-CG 3.9Å; M189-L239 HydrophobicContact SD-CD1 3.95Å; T237-L239 PolarHBondContact OG1-N 3.16Å; L239-W247 HydrophobicContact CB-CE3 3.78Å; L239-W247 HydrophobicContact CB-CZ3 3.95Å; L239-D248 PolarHBondContact O-N 3.08Å; L239-L251 HydrophobicContact CD2-CB 4.36Å; L239-F255 HydrophobicContact CD2-CB 4.17Å; L239-F255 HydrophobicContact CD2-CD2 3.73Å; L239-F255 HydrophobicContact CD2-CG 4.33Å; L239-I257 HydrophobicContact CD1-CB 4.19Å; L239-I257 HydrophobicContact CD1-CG1 4.15Å; L239-I257 HydrophobicContact CD1-CG2 4Å; L239-L262 HydrophobicContact CD1-CD1 3.99Å; L239-L262 HydrophobicContact CD1-CD2 4.09Å
240	F	98.7	Very high	98.3	Very high	2 Å²	2	31.9 Å²	31.9	1%	0.009	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	135.4	-174.2	177.6	-93	0	0	0	111.7	V231 A234 L242 L245 W247 I265 I349	V231-F240 HydrophobicContact CB-CZ 4.24Å; V231-F240 HydrophobicContact CG1-CE2 4.44Å; V231-F240 HydrophobicContact CG1-CZ 4.2Å; A234-F240 HydrophobicContact CB-CB 4.39Å; A234-F240 HydrophobicContact CB-CD2 3.57Å; A234-F240 HydrophobicContact CB-CE2 3.98Å; A234-F240 HydrophobicContact CB-CG 4.12Å; A234-F240 WeakPolarHBondContact O-CB 3.44Å; F240-L242 HydrophobicContact CD1-CD2 4.15Å; F240-L242 HydrophobicContact CE1-CD2 4.05Å; F240-L245 HydrophobicContact CE1-CD2 4.03Å; F240-L245 HydrophobicContact CE2-CB 4.32Å; F240-L245 WeakPolarHBondContact CE2-O 3.23Å; F240-L245 HydrophobicContact CZ-CB 3.85Å; F240-L245 HydrophobicContact CZ-CD2 3.76Å; F240-L245 HydrophobicContact CZ-CG 4.43Å; F240-W247 HydrophobicContact CB-CE3 4.43Å; F240-W247 HydrophobicContact CB-CZ3 4.34Å; F240-I265 HydrophobicContact CD2-CD1 3.71Å; F240-I265 HydrophobicContact CE2-CD1 3.86Å; F240-I265 HydrophobicContact CE2-CG2 4.21Å; F240-I349 HydrophobicContact CE1-CD1 4.45Å; F240-I349 HydrophobicContact CE1-CG1 3.89Å; F240-I349 HydrophobicContact CZ-CG1 4.37Å
241	N	98.6	Very high	98.3	Very high	19 Å²	19	32 Å²	32	10%	0.102	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	115.4	176.4	-171.9	-41.7	0	0	0	110.5	I175 N243 T244 L245 E246 D248	I175-N241 HydrophobicContact CG2-CB 4Å; N241-N243 PolarHBondContact O-N 2.96Å; N241-N243 VanDerWaalsContact O-N 3.16Å; N241-N243 WeakPolarHBondContact OD1-CB 3.35Å; N241-N243 PolarHBondContact OD1-N 2.91Å; N241-N243 PolarHBondContact OD1-ND2 3.38Å; N241-T244 WeakPolarHBondContact CB-OG1 3.45Å; N241-T244 PolarHBondContact OD1-N 3.36Å; N241-L245 VanDerWaalsContact O-CA 3.32Å; N241-L245 WeakPolarHBondContact O-CA 3.28Å; N241-L245 PolarHBondContact O-N 3.01Å; N241-E246 PolarHBondContact N-O 3.5Å; N241-D248 HydrophobicContact CB-CB 4.13Å; N241-D248 PolarHBondContact ND2-OD2 3.31Å
242	L	97.8	Very high	98.3	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-22	-178.9	-71.4	179.8	0	0	0	113.6	I175 T176 F240 L245 F340 T347 I349 Y361	I175-L242 WeakPolarHBondContact O-CB 3.48Å; I175-L242 PolarHBondContact O-N 2.85Å; T176-L242 VanDerWaalsContact C-CD1 3.49Å; T176-L242 WeakPolarHBondContact O-CD1 3.15Å; T176-L242 WeakPolarHBondContact O-CG 3.49Å; F240-L242 HydrophobicContact CD1-CD2 4.15Å; F240-L242 HydrophobicContact CE1-CD2 4.05Å; L242-L245 WeakPolarHBondContact O-CD2 3.34Å; L242-F340 HydrophobicContact CD1-CE1 4.1Å; L242-F340 HydrophobicContact CD1-CZ 4.4Å; L242-T347 HydrophobicContact CD1-CG2 3.98Å; L242-I349 HydrophobicContact CD2-CD1 4.04Å; L242-I349 HydrophobicContact CD2-CG1 3.83Å; L242-Y361 HydrophobicContact CB-CE1 4.16Å; L242-Y361 HydrophobicContact CD2-CE1 4.37Å; L242-Y361 PolarHBondContact O-OH 3.12Å
243	N	94.7	Very high	98.3	Very high	89 Å²	89	39.2 Å²	39.2	48%	0.476	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-42.2	-176.9	-51.9	-78.1	0	0	0	112	N241	N241-N243 PolarHBondContact O-N 2.96Å; N241-N243 VanDerWaalsContact O-N 3.16Å; N241-N243 WeakPolarHBondContact OD1-CB 3.35Å; N241-N243 PolarHBondContact OD1-N 2.91Å; N241-N243 PolarHBondContact OD1-ND2 3.38Å
244	T	97	Very high	98.2	Very high	78 Å²	78	41.1 Å²	41.1	48%	0.479	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-20	-179.8	64.9	0	0	0	0	112.8	N241 E246	N241-T244 WeakPolarHBondContact CB-OG1 3.45Å; N241-T244 PolarHBondContact OD1-N 3.36Å; T244-E246 VanDerWaalsContact C-N 3.29Å; T244-E246 PolarHBondContact OG1-N 3.21Å
245	L	97.7	Very high	98.2	Very high	31 Å²	31	41.1 Å²	41.1	16%	0.162	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.6	31.8	-173.5	-49.2	178.8	0	0	0	114.2	F240 N241 L242 I349 K352 P359	F240-L245 HydrophobicContact CE1-CD2 4.03Å; F240-L245 HydrophobicContact CE2-CB 4.32Å; F240-L245 WeakPolarHBondContact CE2-O 3.23Å; F240-L245 HydrophobicContact CZ-CB 3.85Å; F240-L245 HydrophobicContact CZ-CD2 3.76Å; F240-L245 HydrophobicContact CZ-CG 4.43Å; N241-L245 VanDerWaalsContact O-CA 3.32Å; N241-L245 WeakPolarHBondContact O-CA 3.28Å; N241-L245 PolarHBondContact O-N 3.01Å; L242-L245 WeakPolarHBondContact O-CD2 3.34Å; L245-I349 HydrophobicContact CD2-CD1 3.62Å; L245-I349 HydrophobicContact CD2-CG1 4.41Å; L245-K352 HydrophobicContact CD1-CD 3.92Å; L245-P359 HydrophobicContact CD1-CB 3.97Å; L245-P359 HydrophobicContact CD1-CG 3.98Å; L245-P359 HydrophobicContact CD2-CB 4.25Å
246	E	98.4	Very high	98.2	Very high	126 Å²	126	46.4 Å²	46.4	59%	0.589	23%	0.226	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-126.9	167.3	-178.9	-65.5	178	166.9	0	0	111.1	N241 T244 D248	N241-E246 PolarHBondContact N-O 3.5Å; T244-E246 VanDerWaalsContact C-N 3.29Å; T244-E246 PolarHBondContact OG1-N 3.21Å; E246-D248 PolarHBondContact O-N 3.46Å
247	W	98.7	Very high	98.2	Very high	49 Å²	49	46.7 Å²	46.7	19%	0.186	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	124.9	166.4	-61.8	120.9	0	0	0	109.8	T229 A234 T237 L239 F240 H249 L262 P263 I265	T229-W247 HydrophobicContact CG2-CH2 4.34Å; T229-W247 HydrophobicContact CG2-CZ2 3.89Å; A234-W247 HydrophobicContact CB-CH2 3.82Å; A234-W247 HydrophobicContact CB-CZ2 4.27Å; A234-W247 HydrophobicContact CB-CZ3 4.27Å; T237-W247 HydrophobicContact CG2-CH2 3.91Å; T237-W247 HydrophobicContact CG2-CZ3 3.95Å; T237-W247 WeakPolarHBondContact OG1-CZ3 3.37Å; L239-W247 HydrophobicContact CB-CE3 3.78Å; L239-W247 HydrophobicContact CB-CZ3 3.95Å; F240-W247 HydrophobicContact CB-CE3 4.43Å; F240-W247 HydrophobicContact CB-CZ3 4.34Å; W247-H249 PolarHBondContact O-N 2.81Å; W247-L262 HydrophobicContact CB-CD1 4.41Å; W247-L262 HydrophobicContact CD2-CB 4.28Å; W247-L262 HydrophobicContact CD2-CD1 3.68Å; W247-L262 HydrophobicContact CE3-CD1 3.9Å; W247-L262 HydrophobicContact CG-CD1 3.91Å; W247-L262 HydrophobicContact CZ2-CB 4.15Å; W247-L262 HydrophobicContact CZ3-CD1 4.46Å; W247-P263 HydrophobicContact CZ2-CG 4.08Å; W247-P263 PolarHBondContact NE1-O 3.36Å; W247-I265 HydrophobicContact CD2-CD1 3.71Å; W247-I265 HydrophobicContact CD2-CG1 4.37Å; W247-I265 HydrophobicContact CE3-CD1 4.39Å; W247-I265 HydrophobicContact CG-CD1 3.82Å; W247-I265 HydrophobicContact CZ2-CD1 4.12Å; W247-I265 HydrophobicContact CZ2-CG1 3.9Å
248	D	98.6	Very high	98.2	Very high	22 Å²	22	49.8 Å²	49.8	12%	0.118	24%	0.244	C	C	.	.			trans	-80.9	112.5	179.5	-166.2	-73.5	0	0	0	110	I175 L239 N241 E246 D250 L251 C252	I175-D248 WeakPolarHBondContact CG2-OD2 3.07Å; L239-D248 PolarHBondContact O-N 3.08Å; N241-D248 HydrophobicContact CB-CB 4.13Å; N241-D248 PolarHBondContact ND2-OD2 3.31Å; E246-D248 PolarHBondContact O-N 3.46Å; D248-D250 VanDerWaalsContact C-N 3.28Å; D248-D250 PolarHBondContact O-N 3.43Å; D248-D250 PolarHBondContact OD1-N 2.93Å; D248-D250 VanDerWaalsContact OD1-N 3.12Å; D248-L251 HydrophobicContact CB-CB 4Å; D248-L251 HydrophobicContact CB-CD1 3.75Å; D248-L251 HydrophobicContact CB-CG 3.85Å; D248-L251 PolarHBondContact O-N 3.16Å; D248-L251 PolarHBondContact OD1-N 2.91Å; D248-L251 VanDerWaalsContact OD1-N 3.09Å; D248-C252 PolarHBondContact O-N 2.99Å; D248-C252 PolarHBondContact O-SG 2.89Å
249	H	98.2	Very high	98.2	Very high	126 Å²	126	52.3 Å²	52.3	58%	0.583	26%	0.26	S	S	*	.	H	α-helix	trans	-59.8	-37	-176.1	178.6	-85.6	0	0	0	112.8	W247 C252 K253	W247-H249 PolarHBondContact O-N 2.81Å; H249-C252 PolarHBondContact O-N 2.85Å; H249-K253 WeakPolarHBondContact O-CB 3.31Å; H249-K253 PolarHBondContact O-N 2.95Å
250	D	98.4	Very high	98.1	Very high	117 Å²	117	58.8 Å²	58.8	63%	0.626	29%	0.285	S	S	*	.	H	α-helix	trans	-72.7	-36.3	-179.1	-71.5	-24	0	0	0	111.3	D248 K253 F254	D248-D250 VanDerWaalsContact C-N 3.28Å; D248-D250 PolarHBondContact O-N 3.43Å; D248-D250 PolarHBondContact OD1-N 2.93Å; D248-D250 VanDerWaalsContact OD1-N 3.12Å; D250-K253 PolarHBondContact O-N 2.83Å; D250-F254 VanDerWaalsContact O-CB 3.28Å; D250-F254 WeakPolarHBondContact O-CB 3.32Å; D250-F254 PolarHBondContact O-N 3.37Å
251	L	98.7	Very high	98.1	Very high	3 Å²	3	58.8 Å²	58.8	2%	0.016	29%	0.285	C	S	.	.	H	α-helix	trans	-67.7	-43.8	171.9	-61.3	180	0	0	0	112	F172 I175 T176 L239 D248 K253 F254 F255	F172-L251 HydrophobicContact CB-CD2 3.92Å; F172-L251 HydrophobicContact CD1-CD2 3.39Å; F172-L251 HydrophobicContact CD2-CD2 3.86Å; F172-L251 HydrophobicContact CE1-CD2 3.77Å; F172-L251 HydrophobicContact CE2-CD2 4.2Å; F172-L251 HydrophobicContact CG-CD2 3.43Å; F172-L251 VanDerWaalsContact CG-CD2 3.43Å; F172-L251 HydrophobicContact CZ-CD2 4.16Å; I175-L251 HydrophobicContact CG2-CD1 3.84Å; T176-L251 HydrophobicContact CG2-CD1 3.21Å; L239-L251 HydrophobicContact CD2-CB 4.36Å; D248-L251 HydrophobicContact CB-CB 4Å; D248-L251 HydrophobicContact CB-CD1 3.75Å; D248-L251 HydrophobicContact CB-CG 3.85Å; D248-L251 PolarHBondContact O-N 3.16Å; D248-L251 PolarHBondContact OD1-N 2.91Å; D248-L251 VanDerWaalsContact OD1-N 3.09Å; L251-K253 VanDerWaalsContact C-N 3.3Å; L251-K253 PolarHBondContact O-N 3.03Å; L251-F254 PolarHBondContact O-N 3.29Å; L251-F254 VanDerWaalsContact O-N 3.13Å; L251-F255 HydrophobicContact CB-CD2 4.46Å; L251-F255 HydrophobicContact CD2-CE2 4.47Å; L251-F255 VanDerWaalsContact O-CD2 3.24Å; L251-F255 WeakPolarHBondContact O-CD2 3.22Å; L251-F255 PolarHBondContact O-N 3.05Å
252	C	98.8	Very high	98.1	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-54.2	-48.4	172.8	-75.8	0	0	0	0	110.9	D248 H249 F254 F255 H256 I257 P259	D248-C252 PolarHBondContact O-N 2.99Å; D248-C252 PolarHBondContact O-SG 2.89Å; H249-C252 PolarHBondContact O-N 2.85Å; C252-F254 PolarHBondContact O-N 3.05Å; C252-F255 PolarHBondContact O-N 2.72Å; C252-H256 PolarHBondContact O-N 3.13Å; C252-I257 CarbonylContact C-O 3.58Å; C252-I257 WeakPolarHBondContact CB-O 3.35Å; C252-I257 PolarHBondContact O-N 2.91Å; C252-P259 HydrophobicContact CB-CG 3.94Å
253	K	98.5	Very high	98.1	Very high	156 Å²	156	58.6 Å²	58.6	68%	0.678	28%	0.284	S	S	*	.	H	α-helix	trans	-61.7	-44	175	-175	178.3	179.2	-179.8	0	112.2	H249 D250 L251 H256	H249-K253 WeakPolarHBondContact O-CB 3.31Å; H249-K253 PolarHBondContact O-N 2.95Å; D250-K253 PolarHBondContact O-N 2.83Å; L251-K253 VanDerWaalsContact C-N 3.3Å; L251-K253 PolarHBondContact O-N 3.03Å; K253-H256 PolarHBondContact O-CD2 2.81Å; K253-H256 PolarHBondContact O-N 3.34Å
254	F	98.6	Very high	98.3	Very high	39 Å²	39	60.5 Å²	60.5	17%	0.171	29%	0.288	C	S	.	.	H	α-helix	trans	-62.2	-42.5	-179.4	179.3	-92.3	0	0	0	112.6	F160 I163 A164 F172 I180 D250 L251 C252 H256	F160-F254 HydrophobicContact CB-CE1 4.24Å; F160-F254 HydrophobicContact CD1-CD1 4.12Å; F160-F254 AromaticContact CD1-CE1 3.54Å; F160-F254 HydrophobicContact CD1-CE1 3.54Å; F160-F254 HydrophobicContact CD1-CZ 4.08Å; F160-F254 HydrophobicContact CE1-CE1 4.37Å; F160-F254 WeakPolarHBondContact CE1-O 3.4Å; F160-F254 HydrophobicContact CG-CE1 4.32Å; I163-F254 HydrophobicContact CD1-CE2 4.13Å; I163-F254 HydrophobicContact CD1-CZ 4.15Å; I163-F254 HydrophobicContact CG1-CE2 3.87Å; I163-F254 HydrophobicContact CG1-CZ 3.75Å; A164-F254 HydrophobicContact CB-CE2 4.47Å; A164-F254 HydrophobicContact CB-CZ 3.89Å; F172-F254 AromaticContact CE2-CD1 3.64Å; F172-F254 HydrophobicContact CE2-CD1 3.64Å; F172-F254 AromaticContact CE2-CE1 3.42Å; F172-F254 HydrophobicContact CE2-CE1 3.42Å; F172-F254 VanDerWaalsContact CE2-CE1 3.42Å; F172-F254 HydrophobicContact CE2-CE2 4.38Å; F172-F254 HydrophobicContact CE2-CG 4.22Å; F172-F254 AromaticContact CE2-CZ 3.82Å; F172-F254 HydrophobicContact CE2-CZ 3.82Å; F172-F254 AromaticContact CZ-CD1 3.73Å; F172-F254 HydrophobicContact CZ-CD1 3.73Å; F172-F254 AromaticContact CZ-CD2 3.88Å; F172-F254 HydrophobicContact CZ-CD2 3.88Å; F172-F254 AromaticContact CZ-CE1 3.7Å; F172-F254 HydrophobicContact CZ-CE1 3.7Å; F172-F254 AromaticContact CZ-CE2 3.85Å; F172-F254 HydrophobicContact CZ-CE2 3.85Å; F172-F254 AromaticContact CZ-CG 3.82Å; F172-F254 HydrophobicContact CZ-CG 3.82Å; F172-F254 AromaticContact CZ-CZ 3.75Å; F172-F254 HydrophobicContact CZ-CZ 3.75Å; I180-F254 HydrophobicContact CD1-CE1 4.44Å; D250-F254 VanDerWaalsContact O-CB 3.28Å; D250-F254 WeakPolarHBondContact O-CB 3.32Å; D250-F254 PolarHBondContact O-N 3.37Å; L251-F254 PolarHBondContact O-N 3.29Å; L251-F254 VanDerWaalsContact O-N 3.13Å; C252-F254 PolarHBondContact O-N 3.05Å; F254-H256 VanDerWaalsContact C-N 3.29Å; F254-H256 PolarHBondContact O-CD2 2.81Å
255	F	98.4	Very high	98.4	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	5.9	178	-67.1	-69.9	0	0	0	113.8	F160 F172 I180 A186 L187 N190 L238 L239 L251 C252 I257	F160-F255 HydrophobicContact CB-CE1 4.31Å; F160-F255 AromaticContact CD1-CD1 3.8Å; F160-F255 HydrophobicContact CD1-CD1 3.8Å; F160-F255 AromaticContact CD1-CE1 3.95Å; F160-F255 HydrophobicContact CD1-CE1 3.95Å; F160-F255 HydrophobicContact CD2-CD1 4.44Å; F160-F255 AromaticContact CE1-CD1 3.79Å; F160-F255 HydrophobicContact CE1-CD1 3.79Å; F160-F255 HydrophobicContact CE1-CE1 4.41Å; F160-F255 HydrophobicContact CE2-CD1 4.43Å; F160-F255 HydrophobicContact CG-CD1 4.14Å; F160-F255 HydrophobicContact CG-CE1 4.02Å; F160-F255 HydrophobicContact CZ-CD1 4.11Å; F172-F255 HydrophobicContact CD2-CE2 4.33Å; F172-F255 HydrophobicContact CD2-CZ 4.21Å; F172-F255 HydrophobicContact CE2-CE2 4.27Å; F172-F255 HydrophobicContact CE2-CZ 4.06Å; I180-F255 HydrophobicContact CG1-CZ 4.31Å; A186-F255 HydrophobicContact CB-CB 4.25Å; A186-F255 HydrophobicContact CB-CD1 4.3Å; A186-F255 HydrophobicContact CB-CD2 4.11Å; A186-F255 HydrophobicContact CB-CG 3.96Å; L187-F255 HydrophobicContact CD2-CD1 4Å; L187-F255 HydrophobicContact CD2-CE1 3.97Å; N190-F255 PolarHBondContact ND2-O 2.66Å; L238-F255 HydrophobicContact CD2-CE1 3.99Å; L238-F255 HydrophobicContact CD2-CE2 3.9Å; L238-F255 HydrophobicContact CD2-CZ 3.38Å; L238-F255 HydrophobicContact CG-CE2 3.78Å; L238-F255 HydrophobicContact CG-CZ 3.79Å; L239-F255 HydrophobicContact CD2-CB 4.17Å; L239-F255 HydrophobicContact CD2-CD2 3.73Å; L239-F255 HydrophobicContact CD2-CG 4.33Å; L251-F255 HydrophobicContact CB-CD2 4.46Å; L251-F255 HydrophobicContact CD2-CE2 4.47Å; L251-F255 VanDerWaalsContact O-CD2 3.24Å; L251-F255 WeakPolarHBondContact O-CD2 3.22Å; L251-F255 PolarHBondContact O-N 3.05Å; C252-F255 PolarHBondContact O-N 2.72Å; F255-I257 VanDerWaalsContact C-N 3.33Å; F255-I257 HydrophobicContact CB-CG1 4.12Å; F255-I257 PolarHBondContact O-N 2.85Å
256	H	98.1	Very high	98.5	Very high	113 Å²	113	57.7 Å²	57.7	52%	0.523	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.9	42.1	-178.7	-45	163.8	0	0	0	113.3	C252 K253 F254	C252-H256 PolarHBondContact O-N 3.13Å; K253-H256 PolarHBondContact O-CD2 2.81Å; K253-H256 PolarHBondContact O-N 3.34Å; F254-H256 VanDerWaalsContact C-N 3.29Å; F254-H256 PolarHBondContact O-CD2 2.81Å
257	I	98.7	Very high	98.5	Very high	6 Å²	6	52.3 Å²	52.3	3%	0.031	25%	0.246	C	C	.	.			trans	-109.2	124.7	177.2	-54.2	-53.3	0	0	0	109	M189 N190 L193 L239 C252 F255 P259 L262	M189-I257 HydrophobicContact CB-CD1 3.53Å; M189-I257 HydrophobicContact CB-CG1 4.35Å; M189-I257 HydrophobicContact SD-CG2 4.35Å; N190-I257 HydrophobicContact CB-CD1 4.35Å; L193-I257 HydrophobicContact CD1-CD1 3.86Å; L239-I257 HydrophobicContact CD1-CB 4.19Å; L239-I257 HydrophobicContact CD1-CG1 4.15Å; L239-I257 HydrophobicContact CD1-CG2 4Å; C252-I257 CarbonylContact C-O 3.58Å; C252-I257 WeakPolarHBondContact CB-O 3.35Å; C252-I257 PolarHBondContact O-N 2.91Å; F255-I257 VanDerWaalsContact C-N 3.33Å; F255-I257 HydrophobicContact CB-CG1 4.12Å; F255-I257 PolarHBondContact O-N 2.85Å; I257-P259 WeakPolarHBondContact O-CD 3.34Å; I257-L262 HydrophobicContact CG2-CD1 4.35Å; I257-L262 HydrophobicContact CG2-CD2 4Å; I257-L262 HydrophobicContact CG2-CG 4.24Å
258	N	98	Very high	98.4	Very high	69 Å²	69	50 Å²	50	37%	0.369	24%	0.237	S	C	.	.			trans	-77.4	120.2	176.3	-172	-20.6	0	0	0	110.2	R260 T261	N258-R260 HydrophobicContact CB-CG 4.25Å; N258-R260 VanDerWaalsContact CG-CG 3.48Å; N258-R260 VanDerWaalsContact ND2-CD 3.33Å; N258-R260 WeakPolarHBondContact ND2-CD 3.25Å; N258-R260 PolarHBondContact O-N 3.4Å; N258-R260 WeakPolarHBondContact OD1-CG 3.48Å; N258-R260 PolarHBondContact OD1-N 3.36Å; N258-T261 HydrophobicContact CB-CG2 4.25Å; N258-T261 WeakPolarHBondContact O-CB 3.43Å; N258-T261 PolarHBondContact O-N 2.71Å; N258-T261 PolarHBondContact O-OG1 2.78Å
259	P	97.9	Very high	98.4	Very high	54 Å²	54	49.1 Å²	49.1	35%	0.351	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-54.2	-26.6	-178.8	-27.7	35.4	0	0	0	114.7	C252 I257 T261 L262	C252-P259 HydrophobicContact CB-CG 3.94Å; I257-P259 WeakPolarHBondContact O-CD 3.34Å; P259-T261 PolarHBondContact O-N 3.28Å; P259-T261 VanDerWaalsContact O-N 3.16Å; P259-L262 WeakPolarHBondContact O-CB 3.42Å; P259-L262 PolarHBondContact O-N 2.88Å; P259-L262 VanDerWaalsContact O-N 3.08Å
260	R	97.4	Very high	98.4	Very high	136 Å²	136	45.6 Å²	45.6	51%	0.513	22%	0.217	S	C	.	.	G	3₁₀ helix	trans	-59.7	-25.2	176.8	79	179.6	-72.8	156.4	7.7	114.1	N206 N258 L262	N206-R260 VanDerWaalsContact OD1-CZ 3.26Å; N206-R260 PolarHBondContact OD1-NH1 2.79Å; N258-R260 HydrophobicContact CB-CG 4.25Å; N258-R260 VanDerWaalsContact CG-CG 3.48Å; N258-R260 VanDerWaalsContact ND2-CD 3.33Å; N258-R260 WeakPolarHBondContact ND2-CD 3.25Å; N258-R260 PolarHBondContact O-N 3.4Å; N258-R260 WeakPolarHBondContact OD1-CG 3.48Å; N258-R260 PolarHBondContact OD1-N 3.36Å; R260-L262 VanDerWaalsContact C-N 3.3Å
261	T	98.6	Very high	98.4	Very high	2 Å²	2	43.5 Å²	43.5	1%	0.012	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-84.2	-11.6	-177.3	65.5	0	0	0	0	111.5	L208 F210 H227 N258 P259	L208-T261 HydrophobicContact CB-CG2 4.28Å; L208-T261 HydrophobicContact CD2-CG2 4.26Å; L208-T261 HydrophobicContact CG-CG2 4.17Å; F210-T261 PolarHBondContact N-O 2.87Å; H227-T261 PolarHBondContact CE1-O 2.87Å; N258-T261 HydrophobicContact CB-CG2 4.25Å; N258-T261 WeakPolarHBondContact O-CB 3.43Å; N258-T261 PolarHBondContact O-N 2.71Å; N258-T261 PolarHBondContact O-OG1 2.78Å; P259-T261 PolarHBondContact O-N 3.28Å; P259-T261 VanDerWaalsContact O-N 3.16Å
262	L	98.9	Very high	98.3	Very high	11 Å²	11	44.1 Å²	44.1	6%	0.058	21%	0.208	C	C	.	.	S	Bend	trans	-90.5	146.6	-174.7	-61.1	177.2	0	0	0	111.3	M189 L239 W247 I257 P259 R260	M189-L262 HydrophobicContact CE-CD2 4.06Å; M189-L262 HydrophobicContact SD-CD2 4.03Å; L239-L262 HydrophobicContact CD1-CD1 3.99Å; L239-L262 HydrophobicContact CD1-CD2 4.09Å; W247-L262 HydrophobicContact CB-CD1 4.41Å; W247-L262 HydrophobicContact CD2-CB 4.28Å; W247-L262 HydrophobicContact CD2-CD1 3.68Å; W247-L262 HydrophobicContact CE3-CD1 3.9Å; W247-L262 HydrophobicContact CG-CD1 3.91Å; W247-L262 HydrophobicContact CZ2-CB 4.15Å; W247-L262 HydrophobicContact CZ3-CD1 4.46Å; I257-L262 HydrophobicContact CG2-CD1 4.35Å; I257-L262 HydrophobicContact CG2-CD2 4Å; I257-L262 HydrophobicContact CG2-CG 4.24Å; P259-L262 WeakPolarHBondContact O-CB 3.42Å; P259-L262 PolarHBondContact O-N 2.88Å; P259-L262 VanDerWaalsContact O-N 3.08Å; R260-L262 VanDerWaalsContact C-N 3.3Å
263	P	98.8	Very high	98.3	Very high	4 Å²	4	44.4 Å²	44.4	3%	0.026	21%	0.211	C	C	.	.	P	Polyproline II helix	trans	-67	150.8	178.7	23.9	-28.8	0	0	0	111.7	F210 H227 T229 W247 I265	F210-P263 WeakPolarHBondContact O-CD 3.42Å; H227-P263 VanDerWaalsContact CE1-CA 3.42Å; H227-P263 WeakPolarHBondContact CE1-CA 3.49Å; H227-P263 VanDerWaalsContact CE1-N 3.28Å; T229-P263 HydrophobicContact CG2-CB 4.1Å; T229-P263 HydrophobicContact CG2-CG 3.55Å; W247-P263 HydrophobicContact CZ2-CG 4.08Å; W247-P263 PolarHBondContact NE1-O 3.36Å; P263-I265 PolarHBondContact O-N 3.16Å
264	K	98.6	Very high	98.3	Very high	128 Å²	128	38.2 Å²	38.2	56%	0.557	19%	0.187	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-63.6	132.1	169.8	177.1	180	-179.8	178.1	0	109.6	H227 V228 T229	H227-K264 PolarHBondContact O-N 2.52Å; V228-K264 CarbonylContact C-O 3.24Å; V228-K264 WeakPolarHBondContact CA-O 3.26Å; V228-K264 HydrophobicContact CG1-CB 4.28Å; T229-K264 PolarHBondContact N-O 3.34Å
265	I	98.6	Very high	98.3	Very high	37 Å²	37	36.4 Å²	36.4	19%	0.19	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	127.6	178.6	-64	159.2	0	0	0	109.5	T229 V231 A234 F240 W247 P263	T229-I265 HydrophobicContact CG2-CG1 4.28Å; T229-I265 CarbonylContact O-C 3.58Å; T229-I265 VanDerWaalsContact O-CA 3.3Å; T229-I265 WeakPolarHBondContact O-CA 3.45Å; V231-I265 HydrophobicContact CG1-CG2 3.73Å; A234-I265 HydrophobicContact CB-CD1 4.3Å; A234-I265 HydrophobicContact CB-CG1 4.06Å; F240-I265 HydrophobicContact CD2-CD1 3.71Å; F240-I265 HydrophobicContact CE2-CD1 3.86Å; F240-I265 HydrophobicContact CE2-CG2 4.21Å; W247-I265 HydrophobicContact CD2-CD1 3.71Å; W247-I265 HydrophobicContact CD2-CG1 4.37Å; W247-I265 HydrophobicContact CE3-CD1 4.39Å; W247-I265 HydrophobicContact CG-CD1 3.82Å; W247-I265 HydrophobicContact CZ2-CD1 4.12Å; W247-I265 HydrophobicContact CZ2-CG1 3.9Å; P263-I265 PolarHBondContact O-N 3.16Å
266	V	98.6	Very high	98.3	Very high	14 Å²	14	40.3 Å²	40.3	9%	0.085	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	165.3	174.8	-70.3	0	0	0	0	110.7	V228 T229 D230 V231 E270 I272 I290	V228-V266 HydrophobicContact CB-CG1 4.26Å; V228-V266 HydrophobicContact CB-CG2 4.37Å; V228-V266 HydrophobicContact CG1-CG1 4.28Å; T229-V266 WeakPolarHBondContact O-CG2 3.43Å; T229-V266 PolarHBondContact O-N 3.35Å; D230-V266 CarbonylContact C-O 2.99Å; D230-V266 VanDerWaalsContact CA-O 3.29Å; D230-V266 WeakPolarHBondContact CA-O 3.15Å; D230-V266 HydrophobicContact CB-CG2 4.26Å; V231-V266 PolarHBondContact N-O 2.88Å; V266-E270 WeakPolarHBondContact CA-OE1 3.27Å; V266-E270 HydrophobicContact CB-CG 4.47Å; V266-E270 WeakPolarHBondContact CB-OE1 3.38Å; V266-E270 WeakPolarHBondContact CG1-OE1 3.43Å; V266-I272 HydrophobicContact CG2-CG1 4.36Å; V266-I290 HydrophobicContact CG2-CD1 3.92Å
267	T	98.4	Very high	98.3	Very high	12 Å²	12	35.9 Å²	35.9	7%	0.074	18%	0.177	C	C	.	.			trans	-75.5	166.6	169.9	76.8	0	0	0	0	111	S269 E270 K352 G354	T267-S269 PolarHBondContact O-N 2.9Å; T267-S269 PolarHBondContact OG1-O 2.81Å; T267-E270 WeakPolarHBondContact CB-OE2 3.16Å; T267-E270 VanDerWaalsContact CG2-OE2 3.31Å; T267-E270 WeakPolarHBondContact CG2-OE2 3.15Å; T267-E270 PolarHBondContact N-OE1 2.9Å; T267-E270 WeakPolarHBondContact OG1-CG 3.31Å; T267-E270 PolarHBondContact OG1-OE2 2.89Å; T267-K352 WeakPolarHBondContact CB-O 3.28Å; T267-K352 HydrophobicContact CG2-CD 3.85Å; T267-K352 HydrophobicContact CG2-CG 4.28Å; T267-G354 WeakPolarHBondContact OG1-CA 3.32Å; T267-G354 PolarHBondContact OG1-N 2.85Å
268	S	98.5	Very high	98.3	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.209	C	C	.	.	S	Bend	trans	-72.2	-13.1	-176.9	-53.8	0	0	0	0	113.6	D230 G289 I290 K352 T527	D230-S268 PolarHBondContact OD2-OG 3.11Å; S268-G289 WeakPolarHBondContact O-CA 3.22Å; S268-I290 WeakPolarHBondContact CA-O 3.43Å; S268-I290 WeakPolarHBondContact CB-O 3.39Å; S268-I290 PolarHBondContact O-N 3.3Å; S268-I290 VanDerWaalsContact O-N 3.13Å; S268-K352 WeakPolarHBondContact CB-O 3.44Å; S268-K352 PolarHBondContact N-O 3.01Å; S268-K352 PolarHBondContact OG-N 3.02Å; S268-T527 WeakPolarHBondContact O-CB 3.33Å
269	S	98.1	Very high	98.3	Very high	4 Å²	4	44.2 Å²	44.2	3%	0.028	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	91	-172.9	177.9	0	0	0	0	109.6	T267 Y288 G354 T527 A531	T267-S269 PolarHBondContact O-N 2.9Å; T267-S269 PolarHBondContact OG1-O 2.81Å; S269-Y288 WeakPolarHBondContact CA-O 3.42Å; S269-G354 WeakPolarHBondContact O-CA 3.39Å; S269-G354 PolarHBondContact O-N 3Å; S269-G354 VanDerWaalsContact O-N 3.07Å; S269-T527 PolarHBondContact OG-O 2.92Å; S269-A531 WeakPolarHBondContact OG-CB 3.35Å; S269-A531 PolarHBondContact OG-N 3.44Å; S269-A531 VanDerWaalsContact OG-N 3.12Å
270	E	97.3	Very high	98.3	Very high	52 Å²	52	41.8 Å²	41.8	24%	0.243	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.5	171.2	177.1	64.3	-170.6	-164.7	0	0	111.1	V266 T267 I272 Y288	V266-E270 WeakPolarHBondContact CA-OE1 3.27Å; V266-E270 HydrophobicContact CB-CG 4.47Å; V266-E270 WeakPolarHBondContact CB-OE1 3.38Å; V266-E270 WeakPolarHBondContact CG1-OE1 3.43Å; T267-E270 WeakPolarHBondContact CB-OE2 3.16Å; T267-E270 VanDerWaalsContact CG2-OE2 3.31Å; T267-E270 WeakPolarHBondContact CG2-OE2 3.15Å; T267-E270 PolarHBondContact N-OE1 2.9Å; T267-E270 WeakPolarHBondContact OG1-CG 3.31Å; T267-E270 PolarHBondContact OG1-OE2 2.89Å; E270-I272 HydrophobicContact CG-CG1 4.35Å; E270-I272 WeakPolarHBondContact O-CG1 3.43Å; E270-I272 PolarHBondContact O-N 2.88Å; E270-I272 VanDerWaalsContact O-N 3.1Å; E270-Y288 PolarHBondContact N-O 2.92Å; E270-Y288 CarbonylContact O-C 3.43Å; E270-Y288 VanDerWaalsContact O-C 3.24Å; E270-Y288 WeakPolarHBondContact O-CA 3.49Å
271	L	98	Very high	98.4	Very high	74 Å²	74	39.1 Å²	39.1	39%	0.387	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	111.2	173.1	-172	162.9	0	0	0	109.5	T286 Y288	L271-T286 HydrophobicContact CG-CG2 4.08Å; L271-Y288 HydrophobicContact CB-CD1 4.32Å; L271-Y288 HydrophobicContact CB-CE1 4.05Å; L271-Y288 HydrophobicContact CG-CE1 4.2Å
272	I	98.2	Very high	98.3	Very high	15 Å²	15	39 Å²	39	8%	0.077	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	-47.4	-174.7	-73.5	151.5	0	0	0	112	I218 V228 V266 E270 I287 I290	I218-I272 HydrophobicContact CD1-CG2 4.15Å; I218-I272 HydrophobicContact CG2-CG2 4.28Å; V228-I272 HydrophobicContact CG2-CG2 3.84Å; V266-I272 HydrophobicContact CG2-CG1 4.36Å; E270-I272 HydrophobicContact CG-CG1 4.35Å; E270-I272 WeakPolarHBondContact O-CG1 3.43Å; E270-I272 PolarHBondContact O-N 2.88Å; E270-I272 VanDerWaalsContact O-N 3.1Å; I272-I287 HydrophobicContact CB-CB 4.37Å; I272-I287 HydrophobicContact CB-CG2 4.18Å; I272-I287 WeakPolarHBondContact CB-O 3.06Å; I272-I287 HydrophobicContact CD1-CG2 4.2Å; I272-I287 HydrophobicContact CG2-CB 4.46Å; I272-I287 HydrophobicContact CG2-CG2 4.15Å; I272-I287 PolarHBondContact N-O 3.17Å; I272-I290 HydrophobicContact CD1-CB 4.46Å; I272-I290 HydrophobicContact CD1-CD1 3.51Å; I272-I290 HydrophobicContact CD1-CG1 3.56Å; I272-I290 HydrophobicContact CG1-CD1 4.09Å; I272-I290 HydrophobicContact CG2-CD1 4.11Å
273	G	98	Very high	98.3	Very high	6 Å²	6	43.7 Å²	43.7	6%	0.062	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	176.1	168.8	-175.4	0	0	0	0	0	112.4	I287	G273-I287 PolarHBondContact O-N 3.33Å
274	V	98.6	Very high	98.3	Very high	27 Å²	27	45.9 Å²	45.9	16%	0.164	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	135.4	-179.9	-177.9	0	0	0	0	109.2	Q276	V274-Q276 WeakPolarHBondContact O-CG 3.44Å; V274-Q276 PolarHBondContact O-N 2.85Å
275	I	98.7	Very high	98.3	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.222	C	C	.	.			trans	-63.5	120.1	173.8	-60.3	176.2	0	0	0	108.6	V122 L221 C280 M282 G284 I285 I287	V122-I275 HydrophobicContact CG2-CD1 3.87Å; L221-I275 HydrophobicContact CB-CG1 4.39Å; L221-I275 HydrophobicContact CD2-CG2 4.26Å; L221-I275 CarbonylContact O-C 3.3Å; L221-I275 WeakPolarHBondContact O-CA 3.16Å; I275-C280 HydrophobicContact CG2-CB 3.95Å; I275-M282 HydrophobicContact CD1-CB 4.22Å; I275-G284 PolarHBondContact O-N 3.41Å; I275-I285 WeakPolarHBondContact CG1-O 3.17Å; I275-I285 PolarHBondContact N-O 3.4Å; I275-I287 HydrophobicContact CG1-CD1 4.17Å; I275-I287 HydrophobicContact CG1-CG1 4.06Å
276	Q	98.6	Very high	98.3	Very high	83 Å²	83	39.5 Å²	39.5	39%	0.388	22%	0.217	S	C	.	.			trans	-115.5	-16.2	-178.4	-68.4	-63.3	-5.8	0	0	114.1	L221 V274 S278 K283	L221-Q276 PolarHBondContact O-N 3.35Å; V274-Q276 WeakPolarHBondContact O-CG 3.44Å; V274-Q276 PolarHBondContact O-N 2.85Å; Q276-S278 PolarHBondContact O-N 2.82Å; Q276-S278 VanDerWaalsContact O-N 3.12Å; Q276-K283 WeakPolarHBondContact O-CE 3.24Å; Q276-K283 PolarHBondContact O-NZ 3.43Å
277	D	98.3	Very high	98.3	Very high	20 Å²	20	38.9 Å²	38.9	11%	0.107	21%	0.213	C	C	.	.			trans	-55.5	120.1	179.4	-173	-14.6	0	0	0	110.4	Y95 L221 S223 K279 C280	Y95-D277 PolarHBondContact OH-OD2 3.42Å; L221-D277 PolarHBondContact O-N 2.81Å; S223-D277 WeakPolarHBondContact OG-CA 3.4Å; S223-D277 PolarHBondContact OG-N 2.9Å; D277-K279 PolarHBondContact O-N 3.38Å; D277-K279 WeakPolarHBondContact OD1-CB 2.84Å; D277-K279 PolarHBondContact OD1-N 3.42Å; D277-C280 HydrophobicContact CB-CB 4.27Å; D277-C280 WeakPolarHBondContact O-CB 3.32Å; D277-C280 PolarHBondContact O-N 2.87Å; D277-C280 VanDerWaalsContact O-N 3.07Å
278	S	98	Very high	98.3	Very high	99 Å²	99	39.6 Å²	39.6	69%	0.692	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-20.7	-179.6	58.5	0	0	0	0	113.7	Q276 C280	Q276-S278 PolarHBondContact O-N 2.82Å; Q276-S278 VanDerWaalsContact O-N 3.12Å; S278-C280 VanDerWaalsContact C-N 3.32Å
279	K	98.3	Very high	98.3	Very high	150 Å²	150	39.6 Å²	39.6	65%	0.652	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.7	-10.7	175.7	-60.5	177.5	-177.5	174.3	0	112.8	L99 N103 D277	L99-K279 HydrophobicContact CD1-CB 4.41Å; L99-K279 HydrophobicContact CD2-CB 3.89Å; L99-K279 HydrophobicContact CD2-CD 4.42Å; N103-K279 PolarHBondContact ND2-O 2.94Å; N103-K279 PolarHBondContact OD1-O 2.69Å; D277-K279 PolarHBondContact O-N 3.38Å; D277-K279 WeakPolarHBondContact OD1-CB 2.84Å; D277-K279 PolarHBondContact OD1-N 3.42Å
280	C	98.4	Very high	98.3	Very high	4 Å²	4	39.4 Å²	39.4	3%	0.027	21%	0.214	C	C	.	.			trans	-91.7	119.9	179.5	-170.4	0	0	0	0	110.6	L99 I275 D277 S278 M282 K283	L99-C280 HydrophobicContact CD1-CB 3.68Å; I275-C280 HydrophobicContact CG2-CB 3.95Å; D277-C280 HydrophobicContact CB-CB 4.27Å; D277-C280 WeakPolarHBondContact O-CB 3.32Å; D277-C280 PolarHBondContact O-N 2.87Å; D277-C280 VanDerWaalsContact O-N 3.07Å; S278-C280 VanDerWaalsContact C-N 3.32Å; C280-M282 PolarHBondContact O-N 3.13Å; C280-M282 VanDerWaalsContact O-N 3.15Å; C280-K283 VanDerWaalsContact O-CB 3.24Å; C280-K283 WeakPolarHBondContact O-CB 3.29Å; C280-K283 PolarHBondContact O-N 3.47Å
281	L	98.2	Very high	98.4	Very high	80 Å²	80	37 Å²	37	42%	0.419	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-11.6	176.4	-65.7	-178.8	0	0	0	113.3	N103 V106	N103-L281 HydrophobicContact CB-CD1 4.12Å; N103-L281 HydrophobicContact CB-CG 4.33Å; N103-L281 WeakPolarHBondContact OD1-CB 3.27Å; N103-L281 WeakPolarHBondContact OD1-CG 3.48Å; N103-L281 PolarHBondContact OD1-N 2.58Å; V106-L281 HydrophobicContact CB-CB 3.99Å; V106-L281 HydrophobicContact CB-CD1 4.14Å; V106-L281 HydrophobicContact CG1-CB 3.91Å; V106-L281 HydrophobicContact CG1-CD1 4.01Å; V106-L281 HydrophobicContact CG2-CB 3.95Å
282	M	98.2	Very high	98.4	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.3	12.1	171.2	-67.7	-164.5	-171	0	0	113.2	A48 I61 L102 C105 V106 I119 I275 C280 G284 I285	A48-M282 HydrophobicContact CB-CE 4.14Å; A48-M282 HydrophobicContact CB-SD 4.01Å; I61-M282 HydrophobicContact CD1-CE 3.71Å; I61-M282 HydrophobicContact CG1-CE 4.26Å; L102-M282 HydrophobicContact CD2-CE 4.14Å; L102-M282 HydrophobicContact CD2-SD 3.59Å; L102-M282 VanDerWaalsContact CD2-SD 3.59Å; C105-M282 HydrophobicContact CB-CE 4.34Å; V106-M282 HydrophobicContact CG2-CE 3.69Å; V106-M282 HydrophobicContact CG2-CG 3.56Å; I119-M282 HydrophobicContact CD1-CE 3.77Å; I119-M282 HydrophobicContact CD1-SD 4.08Å; I275-M282 HydrophobicContact CD1-CB 4.22Å; C280-M282 PolarHBondContact O-N 3.13Å; C280-M282 VanDerWaalsContact O-N 3.15Å; M282-G284 PolarHBondContact O-N 2.97Å; M282-I285 HydrophobicContact CB-CD1 3.84Å; M282-I285 HydrophobicContact CG-CD1 4.03Å; M282-I285 WeakPolarHBondContact O-CB 3.34Å; M282-I285 WeakPolarHBondContact O-CG1 3.13Å; M282-I285 PolarHBondContact O-N 2.85Å; M282-I285 VanDerWaalsContact O-N 3.08Å; M282-I285 HydrophobicContact SD-CD1 4.44Å
283	K	98.4	Very high	98.4	Very high	109 Å²	109	33.9 Å²	33.9	47%	0.474	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50	135	174.1	178.1	172.2	179.8	162.8	0	111.6	Q276 C280 I285	Q276-K283 WeakPolarHBondContact O-CE 3.24Å; Q276-K283 PolarHBondContact O-NZ 3.43Å; C280-K283 VanDerWaalsContact O-CB 3.24Å; C280-K283 WeakPolarHBondContact O-CB 3.29Å; C280-K283 PolarHBondContact O-N 3.47Å; K283-I285 VanDerWaalsContact C-N 3.35Å
284	G	98.4	Very high	98.4	Very high	49 Å²	49	33.9 Å²	33.9	51%	0.505	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	90.6	-11.9	-177	0	0	0	0	0	114.4	I275 M282	I275-G284 PolarHBondContact O-N 3.41Å; M282-G284 PolarHBondContact O-N 2.97Å
285	I	98.6	Very high	98.4	Very high	18 Å²	18	32.6 Å²	32.6	9%	0.092	18%	0.177	C	C	.	.	P	Polyproline II helix	trans	-78.6	139.7	173.7	-58.7	172.6	0	0	0	109.1	I119 V122 I275 M282 K283	I119-I285 HydrophobicContact CB-CD1 3.82Å; I119-I285 HydrophobicContact CD1-CD1 4.04Å; I119-I285 HydrophobicContact CG1-CD1 4.49Å; I119-I285 HydrophobicContact CG2-CD1 3.97Å; I119-I285 HydrophobicContact CG2-CG2 4.1Å; V122-I285 HydrophobicContact CG2-CB 4.42Å; V122-I285 HydrophobicContact CG2-CG2 3.72Å; I275-I285 WeakPolarHBondContact CG1-O 3.17Å; I275-I285 PolarHBondContact N-O 3.4Å; M282-I285 HydrophobicContact CB-CD1 3.84Å; M282-I285 HydrophobicContact CG-CD1 4.03Å; M282-I285 WeakPolarHBondContact O-CB 3.34Å; M282-I285 WeakPolarHBondContact O-CG1 3.13Å; M282-I285 PolarHBondContact O-N 2.85Å; M282-I285 VanDerWaalsContact O-N 3.08Å; M282-I285 HydrophobicContact SD-CD1 4.44Å; K283-I285 VanDerWaalsContact C-N 3.35Å
286	T	98.8	Very high	98.4	Very high	14 Å²	14	32.6 Å²	32.6	9%	0.086	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	139.1	-177.6	-57	0	0	0	0	111.2	G121 V122 L271 Y288	G121-T286 CarbonylContact C-O 3.44Å; G121-T286 WeakPolarHBondContact CA-O 3.41Å; V122-T286 PolarHBondContact N-O 2.84Å; L271-T286 HydrophobicContact CG-CG2 4.08Å; T286-Y288 VanDerWaalsContact CB-CE2 3.44Å; T286-Y288 HydrophobicContact CG2-CD1 4.13Å; T286-Y288 HydrophobicContact CG2-CD2 3.94Å; T286-Y288 HydrophobicContact CG2-CE1 3.72Å; T286-Y288 HydrophobicContact CG2-CE2 3.54Å; T286-Y288 HydrophobicContact CG2-CG 4.23Å; T286-Y288 VanDerWaalsContact CG2-CZ 3.4Å
287	I	98.9	Very high	98.3	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	124.1	170.1	-56.3	167.6	0	0	0	107.2	V122 I124 I218 L221 T222 I272 G273 I275	V122-I287 HydrophobicContact CB-CG1 4.41Å; V122-I287 WeakPolarHBondContact O-CA 3.35Å; I124-I287 HydrophobicContact CD1-CD1 4.2Å; I124-I287 HydrophobicContact CD1-CG2 3.87Å; I124-I287 HydrophobicContact CG1-CG2 4.26Å; I218-I287 HydrophobicContact CG1-CD1 4.41Å; L221-I287 HydrophobicContact CB-CD1 4.42Å; L221-I287 HydrophobicContact CD1-CD1 4.34Å; T222-I287 HydrophobicContact CG2-CD1 4.26Å; I272-I287 HydrophobicContact CB-CB 4.37Å; I272-I287 HydrophobicContact CB-CG2 4.18Å; I272-I287 WeakPolarHBondContact CB-O 3.06Å; I272-I287 HydrophobicContact CD1-CG2 4.2Å; I272-I287 HydrophobicContact CG2-CB 4.46Å; I272-I287 HydrophobicContact CG2-CG2 4.15Å; I272-I287 PolarHBondContact N-O 3.17Å; G273-I287 PolarHBondContact O-N 3.33Å; I275-I287 HydrophobicContact CG1-CD1 4.17Å; I275-I287 HydrophobicContact CG1-CG1 4.06Å
288	Y	98.6	Very high	98.2	Very high	28 Å²	28	27.7 Å²	27.7	11%	0.11	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	-9.3	-174.4	-78	-69	0	0	0	114.6	V122 S269 E270 L271 T286 V528 A531 L532	V122-Y288 PolarHBondContact O-N 3.19Å; S269-Y288 WeakPolarHBondContact CA-O 3.42Å; E270-Y288 PolarHBondContact N-O 2.92Å; E270-Y288 CarbonylContact O-C 3.43Å; E270-Y288 VanDerWaalsContact O-C 3.24Å; E270-Y288 WeakPolarHBondContact O-CA 3.49Å; L271-Y288 HydrophobicContact CB-CD1 4.32Å; L271-Y288 HydrophobicContact CB-CE1 4.05Å; L271-Y288 HydrophobicContact CG-CE1 4.2Å; T286-Y288 VanDerWaalsContact CB-CE2 3.44Å; T286-Y288 HydrophobicContact CG2-CD1 4.13Å; T286-Y288 HydrophobicContact CG2-CD2 3.94Å; T286-Y288 HydrophobicContact CG2-CE1 3.72Å; T286-Y288 HydrophobicContact CG2-CE2 3.54Å; T286-Y288 HydrophobicContact CG2-CG 4.23Å; T286-Y288 VanDerWaalsContact CG2-CZ 3.4Å; Y288-V528 HydrophobicContact CD2-CG1 4.3Å; Y288-A531 HydrophobicContact CD1-CB 4.04Å; Y288-A531 HydrophobicContact CG-CB 4.26Å; Y288-L532 HydrophobicContact CD1-CD2 4.49Å; Y288-L532 HydrophobicContact CD2-CD1 4.26Å; Y288-L532 HydrophobicContact CD2-CD2 4.29Å; Y288-L532 HydrophobicContact CD2-CG 4.28Å; Y288-L532 HydrophobicContact CE1-CD2 4Å; Y288-L532 HydrophobicContact CE2-CD1 4.2Å; Y288-L532 HydrophobicContact CE2-CD2 3.74Å; Y288-L532 HydrophobicContact CE2-CG 4.2Å
289	G	98.1	Very high	98.1	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	141.6	-175.3	0	0	0	0	0	112.8	G123 I124 S268 T527	G123-G289 CarbonylContact C-O 3.18Å; G123-G289 WeakPolarHBondContact CA-O 3.34Å; I124-G289 PolarHBondContact N-O 3.21Å; S268-G289 WeakPolarHBondContact O-CA 3.22Å; G289-T527 WeakPolarHBondContact CA-OG1 3.07Å
290	I	98.8	Very high	98	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	132.1	171.4	-58.7	156.9	0	0	0	106.8	I124 D214 I218 D230 V266 S268 I272	I124-I290 CarbonylContact O-C 3.56Å; I124-I290 VanDerWaalsContact O-CA 3.28Å; I124-I290 WeakPolarHBondContact O-CA 3.35Å; D214-I290 HydrophobicContact CB-CG2 3.71Å; I218-I290 HydrophobicContact CD1-CD1 3.28Å; I218-I290 HydrophobicContact CD1-CG1 3.77Å; D230-I290 HydrophobicContact CB-CB 3.82Å; D230-I290 HydrophobicContact CB-CD1 4.42Å; D230-I290 HydrophobicContact CB-CG2 3.86Å; D230-I290 WeakPolarHBondContact OD1-CG2 3.47Å; V266-I290 HydrophobicContact CG2-CD1 3.92Å; S268-I290 WeakPolarHBondContact CA-O 3.43Å; S268-I290 WeakPolarHBondContact CB-O 3.39Å; S268-I290 PolarHBondContact O-N 3.3Å; S268-I290 VanDerWaalsContact O-N 3.13Å; I272-I290 HydrophobicContact CD1-CB 4.46Å; I272-I290 HydrophobicContact CD1-CD1 3.51Å; I272-I290 HydrophobicContact CD1-CG1 3.56Å; I272-I290 HydrophobicContact CG1-CD1 4.09Å; I272-I290 HydrophobicContact CG2-CD1 4.11Å
291	L	98.8	Very high	97.7	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	141.3	167.1	-75.1	173.8	0	0	0	109	I124 T125 T232 Q295 A296 V299 T527	I124-L291 PolarHBondContact O-N 3.31Å; T125-L291 WeakPolarHBondContact CA-O 3.33Å; T125-L291 PolarHBondContact OG1-O 3.15Å; T232-L291 HydrophobicContact CG2-CD2 3.65Å; T232-L291 WeakPolarHBondContact OG1-CA 3.4Å; L291-Q295 HydrophobicContact CD2-CB 4.13Å; L291-A296 HydrophobicContact CB-CB 3.75Å; L291-A296 HydrophobicContact CD1-CB 4.12Å; L291-V299 HydrophobicContact CD1-CB 4.17Å; L291-V299 HydrophobicContact CD1-CG2 3.82Å; L291-T527 HydrophobicContact CD1-CG2 3.43Å; L291-T527 VanDerWaalsContact CD1-CG2 3.43Å; L291-T527 HydrophobicContact CD2-CG2 4.47Å; L291-T527 HydrophobicContact CG-CG2 3.81Å
292	G	98.6	Very high	97.3	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.2	143.4	160.1	0	0	0	0	0	110.3	R128 T232 N233 Q294 Q295 A296	R128-G292 VanDerWaalsContact CG-CA 3.47Å; T232-G292 PolarHBondContact OG1-N 3.48Å; N233-G292 PolarHBondContact ND2-N 3.45Å; G292-Q294 PolarHBondContact O-N 2.97Å; G292-Q294 VanDerWaalsContact O-N 3.09Å; G292-Q295 CarbonylContact O-C 3.55Å; G292-Q295 WeakPolarHBondContact O-CA 3.47Å; G292-Q295 WeakPolarHBondContact O-CB 3.19Å; G292-Q295 PolarHBondContact O-N 3.15Å; G292-A296 PolarHBondContact O-N 2.8Å
293	D	97.9	Very high	96.7	Very high	24 Å²	24	14.6 Å²	14.6	13%	0.128	8%	0.078	C	C	.	.	H	α-helix	trans	-49	-42.3	-172.6	61.2	-3.9	0	0	0	114.4	T125 N126 R128 A296 S297 T520	T125-D293 WeakPolarHBondContact OG1-CA 3.41Å; T125-D293 PolarHBondContact OG1-N 3.48Å; N126-D293 VanDerWaalsContact O-CB 3.29Å; N126-D293 WeakPolarHBondContact O-CB 3.37Å; N126-D293 PolarHBondContact O-N 3.07Å; R128-D293 IonicContact NE-OD1 3.85Å; D293-A296 PolarHBondContact O-N 3.4Å; D293-S297 PolarHBondContact O-N 2.85Å; D293-T520 HydrophobicContact CB-CG2 4.18Å; D293-T520 WeakPolarHBondContact O-CG2 3.26Å
294	Q	97.8	Very high	95.6	Very high	6 Å²	6	10.8 Å²	10.8	3%	0.028	7%	0.07	C	C	.	.	H	α-helix	trans	-70.1	-38.2	-180	-53.3	-44.9	-42.6	0	0	112.4	R128 G292 L298 K321 T323 F329 L331	R128-Q294 VanDerWaalsContact NH2-CG 3.33Å; G292-Q294 PolarHBondContact O-N 2.97Å; G292-Q294 VanDerWaalsContact O-N 3.09Å; Q294-L298 WeakPolarHBondContact O-CB 3.32Å; Q294-L298 PolarHBondContact O-N 3.37Å; Q294-K321 WeakPolarHBondContact O-CE 3.38Å; Q294-K321 PolarHBondContact O-NZ 3.38Å; Q294-T323 PolarHBondContact OE1-OG1 3.42Å; Q294-F329 HydrophobicContact CG-CB 3.79Å; Q294-F329 HydrophobicContact CG-CD1 4.09Å; Q294-F329 HydrophobicContact CG-CD2 4.23Å; Q294-F329 HydrophobicContact CG-CG 3.78Å; Q294-F329 VanDerWaalsContact OE1-CB 3.26Å; Q294-L331 HydrophobicContact CB-CD1 3.54Å; Q294-L331 HydrophobicContact CB-CD2 3.93Å; Q294-L331 HydrophobicContact CB-CG 4.41Å; Q294-L331 HydrophobicContact CG-CD1 4.31Å
295	Q	98.1	Very high	94.2	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-68.8	-36.2	173.3	-73.2	90.5	-23.5	0	0	111.7	R128 T232 L291 G292 L298 V299 L331 I349 A350	R128-Q295 VanDerWaalsContact NH1-CD 3.25Å; T232-Q295 HydrophobicContact CG2-CB 3.91Å; T232-Q295 HydrophobicContact CG2-CG 3.69Å; L291-Q295 HydrophobicContact CD2-CB 4.13Å; G292-Q295 CarbonylContact O-C 3.55Å; G292-Q295 WeakPolarHBondContact O-CA 3.47Å; G292-Q295 WeakPolarHBondContact O-CB 3.19Å; G292-Q295 PolarHBondContact O-N 3.15Å; Q295-L298 WeakPolarHBondContact O-CB 3.4Å; Q295-L298 PolarHBondContact O-N 3.25Å; Q295-L298 VanDerWaalsContact O-N 3.16Å; Q295-V299 WeakPolarHBondContact O-CG2 3.48Å; Q295-V299 PolarHBondContact O-N 2.83Å; Q295-L331 HydrophobicContact CG-CD2 4.2Å; Q295-I349 VanDerWaalsContact CG-O 3.31Å; Q295-I349 WeakPolarHBondContact CG-O 3.38Å; Q295-I349 PolarHBondContact NE2-O 3.2Å; Q295-A350 WeakPolarHBondContact CB-O 3.2Å; Q295-A350 WeakPolarHBondContact CG-O 3.29Å
296	A	98.3	Very high	92.1	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-60.8	-50.6	175.2	0	0	0	0	0	111.3	T125 L291 G292 D293 L298 V299 A300 T520 G523	T125-A296 WeakPolarHBondContact OG1-CB 3.14Å; L291-A296 HydrophobicContact CB-CB 3.75Å; L291-A296 HydrophobicContact CD1-CB 4.12Å; G292-A296 PolarHBondContact O-N 2.8Å; D293-A296 PolarHBondContact O-N 3.4Å; A296-L298 VanDerWaalsContact C-N 3.29Å; A296-L298 PolarHBondContact O-N 3.19Å; A296-V299 PolarHBondContact O-N 2.86Å; A296-A300 WeakPolarHBondContact O-CB 3.44Å; A296-A300 PolarHBondContact O-N 2.78Å; A296-T520 VanDerWaalsContact CB-O 3.25Å; A296-T520 WeakPolarHBondContact CB-O 3.33Å; A296-G523 VanDerWaalsContact O-CA 3.26Å; A296-G523 WeakPolarHBondContact O-CA 3.32Å
297	S	97.2	Very high	89.3	Confident	0 Å²	0	18.3 Å²	18.3	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-59.6	-38.6	172.6	144.9	0	0	0	0	111.7	D293 V299 A300 Q301 K321 T323 D489	D293-S297 PolarHBondContact O-N 2.85Å; S297-V299 PolarHBondContact O-N 2.76Å; S297-A300 PolarHBondContact O-N 3.31Å; S297-Q301 VanDerWaalsContact O-CB 3.27Å; S297-Q301 WeakPolarHBondContact O-CB 3.42Å; S297-Q301 WeakPolarHBondContact O-CG 3.44Å; S297-Q301 PolarHBondContact O-N 2.86Å; S297-K321 WeakPolarHBondContact OG-CD 3.35Å; S297-K321 WeakPolarHBondContact OG-CE 3.14Å; S297-K321 PolarHBondContact OG-NZ 2.78Å; S297-T323 PolarHBondContact OG-OG1 2.62Å; S297-T323 VanDerWaalsContact OG-OG1 3.05Å; S297-D489 PolarHBondContact OG-OD1 2.96Å; S297-D489 PolarHBondContact OG-OD2 3.42Å
298	L	96.3	Very high	86.3	Confident	0 Å²	0	23.6 Å²	23.6	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-61.4	-46.7	176.3	177.5	70.3	0	0	0	112.3	Q294 Q295 A296 Q301 T302 K321 L331 N333 A350 A362	Q294-L298 WeakPolarHBondContact O-CB 3.32Å; Q294-L298 PolarHBondContact O-N 3.37Å; Q295-L298 WeakPolarHBondContact O-CB 3.4Å; Q295-L298 PolarHBondContact O-N 3.25Å; Q295-L298 VanDerWaalsContact O-N 3.16Å; A296-L298 VanDerWaalsContact C-N 3.29Å; A296-L298 PolarHBondContact O-N 3.19Å; L298-Q301 PolarHBondContact O-N 3.3Å; L298-T302 HydrophobicContact CD1-CG2 3.87Å; L298-T302 WeakPolarHBondContact O-CB 3.43Å; L298-T302 WeakPolarHBondContact O-CG2 3.48Å; L298-T302 PolarHBondContact O-N 2.99Å; L298-T302 PolarHBondContact O-OG1 3.3Å; L298-K321 HydrophobicContact CB-CG 4.01Å; L298-K321 HydrophobicContact CD1-CB 4.42Å; L298-K321 HydrophobicContact CD1-CG 3.65Å; L298-K321 HydrophobicContact CG-CG 4.46Å; L298-L331 HydrophobicContact CB-CB 4.47Å; L298-L331 HydrophobicContact CB-CD2 4.27Å; L298-L331 HydrophobicContact CD1-CB 4.25Å; L298-L331 HydrophobicContact CD2-CB 4.18Å; L298-L331 HydrophobicContact CD2-CD2 4.12Å; L298-N333 HydrophobicContact CD1-CB 4.43Å; L298-N333 HydrophobicContact CD2-CB 4.37Å; L298-A350 HydrophobicContact CD2-CB 3.77Å; L298-A362 HydrophobicContact CD2-CB 4.25Å
299	V	95.6	Very high	83.5	Confident	0 Å²	0	23.7 Å²	23.7	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-58.3	-53.6	173.8	169.5	0	0	0	0	109.3	L291 Q295 A296 S297 Q301 T302 W303 Y351 M353 I526	L291-V299 HydrophobicContact CD1-CB 4.17Å; L291-V299 HydrophobicContact CD1-CG2 3.82Å; Q295-V299 WeakPolarHBondContact O-CG2 3.48Å; Q295-V299 PolarHBondContact O-N 2.83Å; A296-V299 PolarHBondContact O-N 2.86Å; S297-V299 PolarHBondContact O-N 2.76Å; V299-Q301 VanDerWaalsContact C-N 3.27Å; V299-Q301 PolarHBondContact O-N 2.74Å; V299-T302 PolarHBondContact O-N 3.39Å; V299-W303 HydrophobicContact CG1-CB 4.46Å; V299-W303 HydrophobicContact CG1-CD2 4.49Å; V299-W303 HydrophobicContact CG1-CE3 4.01Å; V299-W303 WeakPolarHBondContact O-CB 3.47Å; V299-W303 PolarHBondContact O-N 3.41Å; V299-Y351 HydrophobicContact CG2-CD1 3.44Å; V299-Y351 VanDerWaalsContact CG2-CD1 3.44Å; V299-Y351 HydrophobicContact CG2-CE1 3.97Å; V299-Y351 HydrophobicContact CG2-CG 4.11Å; V299-M353 HydrophobicContact CG1-CE 4.15Å; V299-M353 HydrophobicContact CG2-CE 3.89Å; V299-I526 HydrophobicContact CG1-CB 4.03Å; V299-I526 HydrophobicContact CG1-CD1 4.16Å; V299-I526 HydrophobicContact CG1-CG2 3.71Å
300	A	95.7	Very high	80.8	Confident	0 Å²	0	29.3 Å²	29.3	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-59.4	-33.9	-178.8	0	0	0	0	0	114.4	A296 S297 M519 L522 R543	A296-A300 WeakPolarHBondContact O-CB 3.44Å; A296-A300 PolarHBondContact O-N 2.78Å; S297-A300 PolarHBondContact O-N 3.31Å; A300-M519 HydrophobicContact CB-CB 4.16Å; A300-M519 WeakPolarHBondContact CB-O 3.3Å; A300-M519 HydrophobicContact CB-SD 4.18Å; A300-L522 HydrophobicContact CB-CB 3.97Å; A300-L522 HydrophobicContact CB-CD2 4.08Å; A300-L522 HydrophobicContact CB-CG 3.99Å; A300-R543 PolarHBondContact O-NE 3.37Å; A300-R543 PolarHBondContact O-NH2 3.09Å
301	Q	93.2	Very high	78.3	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-79.9	-33.2	-179.2	-71.1	-75.5	14.8	0	0	112.5	S297 L298 V299 K321 M487 V488 D489 H513	S297-Q301 VanDerWaalsContact O-CB 3.27Å; S297-Q301 WeakPolarHBondContact O-CB 3.42Å; S297-Q301 WeakPolarHBondContact O-CG 3.44Å; S297-Q301 PolarHBondContact O-N 2.86Å; L298-Q301 PolarHBondContact O-N 3.3Å; V299-Q301 VanDerWaalsContact C-N 3.27Å; V299-Q301 PolarHBondContact O-N 2.74Å; Q301-K321 HydrophobicContact CB-CB 4.2Å; Q301-K321 HydrophobicContact CG-CB 4.23Å; Q301-M487 HydrophobicContact CB-CB 4.03Å; Q301-M487 HydrophobicContact CB-CG 4.44Å; Q301-M487 HydrophobicContact CG-CB 4.21Å; Q301-V488 PolarHBondContact NE2-O 3.3Å; Q301-D489 WeakPolarHBondContact CG-OD2 3.1Å; Q301-D489 VanDerWaalsContact NE2-CB 3.29Å; Q301-D489 PolarHBondContact NE2-OD2 2.97Å; Q301-H513 PolarHBondContact OE1-CE1 2.85Å; Q301-H513 PolarHBondContact OE1-ND1 3.43Å
302	T	88.5	Confident	75.8	Confident	2 Å²	2	43 Å²	43	1%	0.012	25%	0.249	C	C	.	.	H	α-helix	trans	-111.6	-15.6	-166	68.1	0	0	0	0	114.3	L298 V299 L305 K319	L298-T302 HydrophobicContact CD1-CG2 3.87Å; L298-T302 WeakPolarHBondContact O-CB 3.43Å; L298-T302 WeakPolarHBondContact O-CG2 3.48Å; L298-T302 PolarHBondContact O-N 2.99Å; L298-T302 PolarHBondContact O-OG1 3.3Å; V299-T302 PolarHBondContact O-N 3.39Å; T302-L305 PolarHBondContact O-N 3.33Å; T302-K319 HydrophobicContact CG2-CB 3.66Å; T302-K319 HydrophobicContact CG2-CD 4.18Å
303	W	86.9	Confident	73.2	Confident	56 Å²	56	46.8 Å²	46.8	21%	0.212	27%	0.269	C	S	.	.	S	Bend	trans	-64.3	145.2	177.8	-157.2	-90.5	0	0	0	111.5	V299 L305 Y351 M353 I526 L530 L540 R543	V299-W303 HydrophobicContact CG1-CB 4.46Å; V299-W303 HydrophobicContact CG1-CD2 4.49Å; V299-W303 HydrophobicContact CG1-CE3 4.01Å; V299-W303 WeakPolarHBondContact O-CB 3.47Å; V299-W303 PolarHBondContact O-N 3.41Å; W303-L305 PolarHBondContact O-N 3.12Å; W303-Y351 HydrophobicContact CZ3-CE2 4.25Å; W303-M353 HydrophobicContact CE3-CE 4.25Å; W303-M353 HydrophobicContact CH2-CE 4.13Å; W303-M353 HydrophobicContact CH2-CG 4.11Å; W303-M353 HydrophobicContact CZ3-CE 3.59Å; W303-M353 HydrophobicContact CZ3-CG 4.31Å; W303-I526 HydrophobicContact CB-CD1 4.24Å; W303-I526 HydrophobicContact CD2-CG2 4.04Å; W303-I526 HydrophobicContact CG-CG2 4.04Å; W303-L530 HydrophobicContact CH2-CD1 3.38Å; W303-L530 HydrophobicContact CH2-CD2 4.3Å; W303-L530 HydrophobicContact CH2-CG 4.48Å; W303-L530 HydrophobicContact CZ2-CD1 3.33Å; W303-L530 HydrophobicContact CZ2-CD2 3.52Å; W303-L530 HydrophobicContact CZ2-CG 4.03Å; W303-L530 HydrophobicContact CZ3-CD1 4.03Å; W303-L540 WeakPolarHBondContact O-CD1 3.37Å; W303-R543 PolarHBondContact O-NH1 3.06Å; W303-R543 PolarHBondContact O-NH2 3.42Å
304	G	75.8	Confident	70.8	Confident	29 Å²	29	48.9 Å²	48.9	30%	0.299	28%	0.28	S	S	.	.	S	Bend	trans	78	-32.3	-177.2	0	0	0	0	0	114.5	S306 C307	G304-S306 PolarHBondContact O-N 2.93Å; G304-S306 VanDerWaalsContact O-N 3.1Å; G304-C307 PolarHBondContact O-N 3.47Å
305	L	68.1	Low	68.3	Low	82 Å²	82	51 Å²	51	43%	0.429	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-11.1	169.7	-61.5	175.5	0	0	0	111.8	T302 W303 K319	T302-L305 PolarHBondContact O-N 3.33Å; W303-L305 PolarHBondContact O-N 3.12Å; L305-K319 HydrophobicContact CB-CD 4.39Å; L305-K319 VanDerWaalsContact CB-NZ 3.29Å; L305-K319 PolarHBondContact O-NZ 3.3Å
306	S	53.9	Low	66	Low	43 Å²	43	55 Å²	55	30%	0.301	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	-5	-173.9	-60.3	0	0	0	0	114	G304 S308 V309 K319	G304-S306 PolarHBondContact O-N 2.93Å; G304-S306 VanDerWaalsContact O-N 3.1Å; S306-S308 PolarHBondContact O-N 2.94Å; S306-V309 PolarHBondContact O-N 2.92Å; S306-K319 VanDerWaalsContact CA-NZ 3.31Å; S306-K319 PolarHBondContact OG-NZ 3.06Å
307	C	40	Very low	63.9	Low	114 Å²	114	56.5 Å²	56.5	77%	0.77	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-0.1	-172.9	-62.2	0	0	0	0	115.1	G304	G304-C307 PolarHBondContact O-N 3.47Å
308	S	36.7	Very low	62.3	Low	111 Å²	111	57.7 Å²	57.7	78%	0.776	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.6	5.6	171.2	-57.1	0	0	0	0	113.8	S306 N310	S306-S308 PolarHBondContact O-N 2.94Å; S308-N310 PolarHBondContact O-N 3.34Å
309	V	39.2	Very low	61.4	Low	30 Å²	30	58.8 Å²	58.8	18%	0.182	34%	0.338	C	S	.	.			trans	-92.4	105.6	-176.7	-171.8	0	0	0	0	109.5	S306 E311 D316 L317	S306-V309 PolarHBondContact O-N 2.92Å; V309-E311 PolarHBondContact O-N 2.91Å; V309-D316 HydrophobicContact CG1-CB 4.19Å; V309-D316 HydrophobicContact CG2-CB 3.7Å; V309-L317 HydrophobicContact CG1-CD2 3.94Å; V309-L317 HydrophobicContact CG1-CG 4.16Å
310	N	40.9	Very low	61.3	Low	119 Å²	119	58.9 Å²	58.9	64%	0.636	34%	0.338	S	S	*	.			trans	-55.3	130.7	160.1	-82.4	-34	0	0	0	107.9	S308 N312 N313	S308-N310 PolarHBondContact O-N 3.34Å; N310-N312 PolarHBondContact O-N 3.23Å; N310-N313 HydrophobicContact CB-CB 4.16Å; N310-N313 PolarHBondContact O-N 3.09Å
311	E	47	Very low	61.3	Low	131 Å²	131	58.9 Å²	58.9	61%	0.612	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.2	-21.5	176	-66.2	-173	178.5	0	0	112.8	V309 R358	V309-E311 PolarHBondContact O-N 2.91Å; E311-R358 IonicContact OE2-NH1 3.84Å; E311-R358 PolarHBondContact OE2-NH1 3.11Å
312	N	46.7	Very low	61.5	Low	157 Å²	157	58.9 Å²	58.9	84%	0.84	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	-6.9	176.8	-63.1	-22	0	0	0	114.6	N310	N310-N312 PolarHBondContact O-N 3.23Å
313	N	44.7	Very low	62	Low	78 Å²	78	59.3 Å²	59.3	42%	0.417	34%	0.341	S	S	.	.			trans	-112.1	73.2	-176.8	-147	11.2	0	0	0	110.9	N310 S315 D316	N310-N313 HydrophobicContact CB-CB 4.16Å; N310-N313 PolarHBondContact O-N 3.09Å; N313-S315 PolarHBondContact O-N 2.79Å; N313-S315 PolarHBondContact OD1-OG 3.42Å; N313-D316 PolarHBondContact O-N 2.88Å
314	L	47	Very low	62.4	Low	69 Å²	69	56.7 Å²	56.7	36%	0.361	33%	0.331	S	S	.	.	G	3₁₀ helix	trans	-57.2	-12.8	177.9	-82.1	110.6	0	0	0	114.2	D316 L317	L314-D316 PolarHBondContact O-N 2.9Å; L314-L317 HydrophobicContact CB-CD1 4.21Å; L314-L317 HydrophobicContact CD2-CD1 3.98Å; L314-L317 HydrophobicContact CG-CD1 3.76Å; L314-L317 PolarHBondContact O-N 3.05Å
315	S	45	Very low	63.2	Low	49 Å²	49	56.7 Å²	56.7	34%	0.343	33%	0.331	S	S	.	.	G	3₁₀ helix	trans	-61.3	-30.2	178.8	56.1	0	0	0	0	113.6	N313 S318	N313-S315 PolarHBondContact O-N 2.79Å; N313-S315 PolarHBondContact OD1-OG 3.42Å; S315-S318 PolarHBondContact O-OG 2.68Å
316	D	48.9	Very low	64.3	Low	85 Å²	85	54.2 Å²	54.2	46%	0.455	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-92.9	-0.3	-179.7	-72.2	-20.7	0	0	0	113.8	V309 N313 L314 S318	V309-D316 HydrophobicContact CG1-CB 4.19Å; V309-D316 HydrophobicContact CG2-CB 3.7Å; N313-D316 PolarHBondContact O-N 2.88Å; L314-D316 PolarHBondContact O-N 2.9Å; D316-S318 PolarHBondContact O-N 2.57Å
317	L	53.9	Low	66.2	Low	31 Å²	31	52.2 Å²	52.2	16%	0.162	31%	0.305	C	S	.	.			trans	-80	5.4	177.6	-67.6	175.3	0	0	0	113.5	V309 L314 K319	V309-L317 HydrophobicContact CG1-CD2 3.94Å; V309-L317 HydrophobicContact CG1-CG 4.16Å; L314-L317 HydrophobicContact CB-CD1 4.21Å; L314-L317 HydrophobicContact CD2-CD1 3.98Å; L314-L317 HydrophobicContact CG-CD1 3.76Å; L314-L317 PolarHBondContact O-N 3.05Å; L317-K319 PolarHBondContact O-N 2.79Å
318	S	64.1	Low	68.9	Low	26 Å²	26	46.8 Å²	46.8	18%	0.182	27%	0.269	C	S	.	.			trans	-78.9	48.4	-172.7	-48.7	0	0	0	0	113.7	S315 D316	S315-S318 PolarHBondContact O-OG 2.68Å; D316-S318 PolarHBondContact O-N 2.57Å
319	K	78.2	Confident	71.8	Confident	23 Å²	23	42.2 Å²	42.2	10%	0.1	24%	0.235	C	C	.	.			trans	-96.6	108.2	-177	-62.6	178.6	-172.9	166.1	0	110.4	T302 L305 S306 L317 N333	T302-K319 HydrophobicContact CG2-CB 3.66Å; T302-K319 HydrophobicContact CG2-CD 4.18Å; L305-K319 HydrophobicContact CB-CD 4.39Å; L305-K319 VanDerWaalsContact CB-NZ 3.29Å; L305-K319 PolarHBondContact O-NZ 3.3Å; S306-K319 VanDerWaalsContact CA-NZ 3.31Å; S306-K319 PolarHBondContact OG-NZ 3.06Å; L317-K319 PolarHBondContact O-N 2.79Å; K319-N333 PolarHBondContact O-N 3.5Å
320	V	92.8	Very high	74.6	Confident	1 Å²	1	40.8 Å²	40.8	1%	0.006	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	137.6	176.7	-178.9	0	0	0	0	109.3	M330 L331 W332 P483 I486 M487	V320-M330 HydrophobicContact CG1-CG 3.48Å; V320-M330 VanDerWaalsContact CG1-CG 3.48Å; V320-M330 HydrophobicContact CG1-SD 3.9Å; V320-L331 WeakPolarHBondContact CA-O 3.47Å; V320-W332 HydrophobicContact CG2-CB 3.7Å; V320-W332 HydrophobicContact CG2-CD2 3.81Å; V320-W332 HydrophobicContact CG2-CE3 4.4Å; V320-W332 HydrophobicContact CG2-CG 3.46Å; V320-W332 VanDerWaalsContact CG2-CG 3.46Å; V320-P483 HydrophobicContact CB-CB 4.4Å; V320-P483 HydrophobicContact CB-CG 4.5Å; V320-P483 HydrophobicContact CG2-CB 3.64Å; V320-P483 HydrophobicContact CG2-CG 3.34Å; V320-I486 HydrophobicContact CB-CG1 4.14Å; V320-I486 HydrophobicContact CG1-CD1 4.29Å; V320-I486 HydrophobicContact CG1-CG1 4.05Å; V320-I486 HydrophobicContact CG1-CG2 4.39Å; V320-I486 WeakPolarHBondContact O-CA 3.38Å; V320-M487 PolarHBondContact O-N 2.71Å
321	K	95.8	Very high	77.3	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	150.4	168.7	73.4	89.4	160.1	173.4	0	110.6	Q294 S297 L298 Q301 T323 M330 L331 M487	Q294-K321 WeakPolarHBondContact O-CE 3.38Å; Q294-K321 PolarHBondContact O-NZ 3.38Å; S297-K321 WeakPolarHBondContact OG-CD 3.35Å; S297-K321 WeakPolarHBondContact OG-CE 3.14Å; S297-K321 PolarHBondContact OG-NZ 2.78Å; L298-K321 HydrophobicContact CB-CG 4.01Å; L298-K321 HydrophobicContact CD1-CB 4.42Å; L298-K321 HydrophobicContact CD1-CG 3.65Å; L298-K321 HydrophobicContact CG-CG 4.46Å; Q301-K321 HydrophobicContact CB-CB 4.2Å; Q301-K321 HydrophobicContact CG-CB 4.23Å; K321-T323 PolarHBondContact NZ-OG1 2.95Å; K321-M330 CarbonylContact O-C 3.6Å; K321-M330 VanDerWaalsContact O-CA 3.27Å; K321-M330 WeakPolarHBondContact O-CA 3.33Å; K321-L331 HydrophobicContact CD-CB 4.38Å; K321-L331 HydrophobicContact CG-CB 4.19Å; K321-L331 PolarHBondContact N-O 2.98Å; K321-L331 PolarHBondContact O-N 3.12Å; K321-M487 CarbonylContact C-O 3.5Å; K321-M487 WeakPolarHBondContact CA-O 3.35Å; K321-M487 HydrophobicContact CB-CB 4.34Å
322	V	97.9	Very high	79.5	Confident	0 Å²	0	29 Å²	29	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	119.2	170.7	-173.4	0	0	0	0	109.9	Y324 F329 M330 T455 I486 M487 V488 D489	V322-Y324 HydrophobicContact CB-CE2 3.96Å; V322-Y324 HydrophobicContact CG1-CD2 4.02Å; V322-Y324 HydrophobicContact CG1-CE1 4.11Å; V322-Y324 HydrophobicContact CG1-CE2 3.46Å; V322-Y324 VanDerWaalsContact CG1-CE2 3.46Å; V322-Y324 VanDerWaalsContact CG1-CZ 3.48Å; V322-F329 WeakPolarHBondContact CA-O 3.5Å; V322-M330 HydrophobicContact CG2-CB 3.89Å; V322-M330 HydrophobicContact CG2-CG 3.81Å; V322-T455 HydrophobicContact CG1-CG2 4.21Å; V322-T455 HydrophobicContact CG2-CG2 3.91Å; V322-I486 HydrophobicContact CB-CG2 4.13Å; V322-I486 HydrophobicContact CG2-CD1 4.5Å; V322-I486 HydrophobicContact CG2-CG2 3.57Å; V322-M487 PolarHBondContact N-O 3.14Å; V322-V488 WeakPolarHBondContact O-CA 2.76Å; V322-D489 PolarHBondContact O-N 3.36Å; V322-D489 VanDerWaalsContact O-N 3.13Å
323	T	97.6	Very high	81.7	Confident	12 Å²	12	21.8 Å²	21.8	7%	0.074	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	125.6	173.2	-58.9	0	0	0	0	109.4	Q294 S297 K321 A328 F329 D489	Q294-T323 PolarHBondContact OE1-OG1 3.42Å; S297-T323 PolarHBondContact OG-OG1 2.62Å; S297-T323 VanDerWaalsContact OG-OG1 3.05Å; K321-T323 PolarHBondContact NZ-OG1 2.95Å; T323-A328 CarbonylContact O-C 3.6Å; T323-A328 WeakPolarHBondContact O-CA 3.44Å; T323-F329 PolarHBondContact N-O 2.9Å; T323-F329 PolarHBondContact O-N 3.15Å; T323-D489 WeakPolarHBondContact CA-OD1 3.13Å; T323-D489 WeakPolarHBondContact CB-OD1 3.15Å; T323-D489 WeakPolarHBondContact CG2-OD1 3.23Å; T323-D489 PolarHBondContact OG1-OD1 3.49Å
324	Y	96.3	Very high	83.8	Confident	0 Å²	0	18.3 Å²	18.3	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	88.6	174.3	-66.7	-84.6	0	0	0	111.6	V322 A328 A370 T455 V488 D489 G490 G491 M492 L498 M499 L502	V322-Y324 HydrophobicContact CB-CE2 3.96Å; V322-Y324 HydrophobicContact CG1-CD2 4.02Å; V322-Y324 HydrophobicContact CG1-CE1 4.11Å; V322-Y324 HydrophobicContact CG1-CE2 3.46Å; V322-Y324 VanDerWaalsContact CG1-CE2 3.46Å; V322-Y324 VanDerWaalsContact CG1-CZ 3.48Å; Y324-A328 HydrophobicContact CD1-CB 3.59Å; Y324-A328 HydrophobicContact CE1-CB 3.73Å; Y324-A328 HydrophobicContact CG-CB 4.44Å; Y324-A370 HydrophobicContact CD1-CB 4.46Å; Y324-T455 PolarHBondContact OH-OG1 3.5Å; Y324-V488 HydrophobicContact CE2-CG1 4.19Å; Y324-D489 PolarHBondContact N-O 3.37Å; Y324-G490 CarbonylContact O-C 3.48Å; Y324-G490 VanDerWaalsContact O-C 3.3Å; Y324-G490 WeakPolarHBondContact O-CA 3.43Å; Y324-G491 PolarHBondContact O-N 2.93Å; Y324-M492 PolarHBondContact O-N 3.29Å; Y324-L498 HydrophobicContact CD1-CD2 4.33Å; Y324-L498 HydrophobicContact CG-CD2 4.29Å; Y324-M499 HydrophobicContact CD2-CE 4.37Å; Y324-M499 HydrophobicContact CE2-CE 4.39Å; Y324-L502 HydrophobicContact CE2-CD2 3.94Å; Y324-L502 WeakPolarHBondContact OH-CD1 3.36Å; Y324-L502 WeakPolarHBondContact OH-CD2 3.42Å
325	G	92.9	Very high	85.8	Confident	29 Å²	29	15.1 Å²	15.1	30%	0.299	9%	0.094	S	C	.	.	S	Bend	trans	-111.8	-134.7	174.8	0	0	0	0	0	111.5	G327 G371	G325-G327 VanDerWaalsContact C-N 3.33Å; G325-G327 CarbonylContact C-O 3.58Å; G325-G327 VanDerWaalsContact C-O 3.23Å; G325-G327 WeakPolarHBondContact CA-O 3.24Å; G325-G327 PolarHBondContact N-O 3.2Å; G325-G327 PolarHBondContact O-N 3.24Å; G325-G371 WeakPolarHBondContact O-CA 3.41Å; G325-G371 PolarHBondContact O-N 3.17Å
326	T	90.8	Very high	87.9	Confident	31 Å²	31	15 Å²	15	19%	0.19	9%	0.093	C	C	.	.	S	Bend	trans	-55.2	-49	172.4	-56.9	0	0	0	0	111.2	T54 S55 A370 G371 A372	T54-T326 PolarHBondContact OG1-OG1 2.96Å; T54-T326 VanDerWaalsContact OG1-OG1 3.05Å; S55-T326 PolarHBondContact OG-OG1 3.19Å; T326-A370 PolarHBondContact O-N 3.41Å; T326-G371 PolarHBondContact O-N 3.06Å; T326-G371 VanDerWaalsContact O-N 3.11Å; T326-A372 HydrophobicContact CG2-CB 3.92Å; T326-A372 WeakPolarHBondContact O-CB 3.07Å; T326-A372 PolarHBondContact O-N 3.27Å
327	G	93.7	Very high	89.8	Confident	1 Å²	1	15.3 Å²	15.3	1%	0.01	9%	0.091	C	C	.	.	S	Bend	trans	-105.1	-173.4	164	0	0	0	0	0	111.5	G325 I367 S368	G325-G327 VanDerWaalsContact C-N 3.33Å; G325-G327 CarbonylContact C-O 3.58Å; G325-G327 VanDerWaalsContact C-O 3.23Å; G325-G327 WeakPolarHBondContact CA-O 3.24Å; G325-G327 PolarHBondContact N-O 3.2Å; G325-G327 PolarHBondContact O-N 3.24Å; G327-I367 CarbonylContact C-O 3.57Å; G327-I367 WeakPolarHBondContact CA-O 3.42Å; G327-S368 WeakPolarHBondContact CA-O 3.43Å
328	A	96.6	Very high	91.6	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	138.3	169.8	0	0	0	0	0	111.3	T323 Y324 I367 A370	T323-A328 CarbonylContact O-C 3.6Å; T323-A328 WeakPolarHBondContact O-CA 3.44Å; Y324-A328 HydrophobicContact CD1-CB 3.59Å; Y324-A328 HydrophobicContact CE1-CB 3.73Å; Y324-A328 HydrophobicContact CG-CB 4.44Å; A328-I367 HydrophobicContact CB-CB 4.02Å; A328-I367 HydrophobicContact CB-CD1 3.99Å; A328-I367 HydrophobicContact CB-CG2 4.38Å; A328-I367 PolarHBondContact N-O 3.34Å; A328-I367 WeakPolarHBondContact O-CA 3.11Å; A328-I367 WeakPolarHBondContact O-CB 3.38Å; A328-I367 PolarHBondContact O-N 3.45Å; A328-A370 HydrophobicContact CB-CB 3.83Å
329	F	97.6	Very high	92.9	Very high	14 Å²	14	13.4 Å²	13.4	6%	0.061	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	110.4	-173.1	-60.9	-88.7	0	0	0	110.6	W148 Q294 V322 T323 L331 A366	W148-F329 AromaticContact CH2-CZ 3.76Å; W148-F329 HydrophobicContact CH2-CZ 3.76Å; W148-F329 HydrophobicContact CZ2-CZ 4.06Å; W148-F329 HydrophobicContact CZ3-CZ 4.08Å; Q294-F329 HydrophobicContact CG-CB 3.79Å; Q294-F329 HydrophobicContact CG-CD1 4.09Å; Q294-F329 HydrophobicContact CG-CD2 4.23Å; Q294-F329 HydrophobicContact CG-CG 3.78Å; Q294-F329 VanDerWaalsContact OE1-CB 3.26Å; V322-F329 WeakPolarHBondContact CA-O 3.5Å; T323-F329 PolarHBondContact N-O 2.9Å; T323-F329 PolarHBondContact O-N 3.15Å; F329-L331 HydrophobicContact CB-CD1 4.24Å; F329-A366 HydrophobicContact CD1-CB 3.81Å; F329-A366 HydrophobicContact CE1-CB 3.75Å
330	M	97.7	Very high	93.6	Very high	0 Å²	0	13 Å²	13	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	122.4	173.3	-174.9	-167.5	78.8	0	0	109.3	V320 K321 V322 E364 G365 V458 L459 A462	V320-M330 HydrophobicContact CG1-CG 3.48Å; V320-M330 VanDerWaalsContact CG1-CG 3.48Å; V320-M330 HydrophobicContact CG1-SD 3.9Å; K321-M330 CarbonylContact O-C 3.6Å; K321-M330 VanDerWaalsContact O-CA 3.27Å; K321-M330 WeakPolarHBondContact O-CA 3.33Å; V322-M330 HydrophobicContact CG2-CB 3.89Å; V322-M330 HydrophobicContact CG2-CG 3.81Å; M330-E364 VanDerWaalsContact O-CA 3.27Å; M330-E364 WeakPolarHBondContact O-CA 3.34Å; M330-G365 PolarHBondContact N-O 2.81Å; M330-G365 PolarHBondContact O-N 3.32Å; M330-V458 HydrophobicContact CB-CG1 3.83Å; M330-V458 HydrophobicContact CE-CG1 3.48Å; M330-V458 VanDerWaalsContact CE-CG1 3.48Å; M330-V458 HydrophobicContact CG-CG1 4.43Å; M330-V458 HydrophobicContact SD-CG1 3.8Å; M330-L459 HydrophobicContact CE-CD1 4.5Å; M330-L459 HydrophobicContact SD-CB 3.85Å; M330-L459 HydrophobicContact SD-CD1 3.73Å; M330-L459 HydrophobicContact SD-CG 4.4Å; M330-A462 HydrophobicContact CE-CB 3.66Å
331	L	97.2	Very high	93.4	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	133.2	167.8	-79.5	70.7	0	0	0	109.6	Q294 Q295 L298 V320 K321 F329 A362 L363 E364	Q294-L331 HydrophobicContact CB-CD1 3.54Å; Q294-L331 HydrophobicContact CB-CD2 3.93Å; Q294-L331 HydrophobicContact CB-CG 4.41Å; Q294-L331 HydrophobicContact CG-CD1 4.31Å; Q295-L331 HydrophobicContact CG-CD2 4.2Å; L298-L331 HydrophobicContact CB-CB 4.47Å; L298-L331 HydrophobicContact CB-CD2 4.27Å; L298-L331 HydrophobicContact CD1-CB 4.25Å; L298-L331 HydrophobicContact CD2-CB 4.18Å; L298-L331 HydrophobicContact CD2-CD2 4.12Å; V320-L331 WeakPolarHBondContact CA-O 3.47Å; K321-L331 HydrophobicContact CD-CB 4.38Å; K321-L331 HydrophobicContact CG-CB 4.19Å; K321-L331 PolarHBondContact N-O 2.98Å; K321-L331 PolarHBondContact O-N 3.12Å; F329-L331 HydrophobicContact CB-CD1 4.24Å; L331-A362 HydrophobicContact CB-CB 4.47Å; L331-L363 WeakPolarHBondContact CA-O 3.41Å; L331-E364 HydrophobicContact CD1-CB 4.46Å; L331-E364 HydrophobicContact CD1-CG 3.77Å; L331-E364 HydrophobicContact CG-CB 4.27Å; L331-E364 HydrophobicContact CG-CG 4.11Å
332	W	94.4	Very high	92.9	Very high	2 Å²	2	18.5 Å²	18.5	1%	0.008	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	111.1	175.7	-179.4	1.1	0	0	0	108.8	V320 I334 A362 L363 A462 T463 L480 K481 P483	V320-W332 HydrophobicContact CG2-CB 3.7Å; V320-W332 HydrophobicContact CG2-CD2 3.81Å; V320-W332 HydrophobicContact CG2-CE3 4.4Å; V320-W332 HydrophobicContact CG2-CG 3.46Å; V320-W332 VanDerWaalsContact CG2-CG 3.46Å; W332-I334 HydrophobicContact CD2-CG2 4.49Å; W332-I334 HydrophobicContact CG-CG2 4.32Å; W332-I334 PolarHBondContact O-N 3.2Å; W332-A362 CarbonylContact O-C 3.54Å; W332-A362 WeakPolarHBondContact O-CA 3.38Å; W332-A362 WeakPolarHBondContact O-CB 3.47Å; W332-L363 HydrophobicContact CB-CB 4.33Å; W332-L363 HydrophobicContact CE3-CD1 4.12Å; W332-L363 PolarHBondContact N-O 3.37Å; W332-L363 PolarHBondContact O-N 2.95Å; W332-A462 HydrophobicContact CE3-CB 4.19Å; W332-A462 HydrophobicContact CZ3-CB 4.38Å; W332-T463 HydrophobicContact CZ3-CG2 4.4Å; W332-L480 HydrophobicContact CE3-CD1 4.46Å; W332-L480 HydrophobicContact CH2-CB 3.5Å; W332-L480 HydrophobicContact CH2-CD1 4Å; W332-L480 HydrophobicContact CH2-CG 4.27Å; W332-L480 HydrophobicContact CZ2-CB 3.86Å; W332-L480 HydrophobicContact CZ2-CD1 4.28Å; W332-L480 HydrophobicContact CZ2-CD2 4.36Å; W332-L480 HydrophobicContact CZ2-CG 4.4Å; W332-L480 HydrophobicContact CZ3-CB 4.29Å; W332-L480 HydrophobicContact CZ3-CD1 4.08Å; W332-K481 VanDerWaalsContact CH2-O 3.23Å; W332-K481 WeakPolarHBondContact CH2-O 3.26Å; W332-K481 VanDerWaalsContact CZ2-O 3.28Å; W332-K481 WeakPolarHBondContact CZ2-O 3.32Å; W332-P483 HydrophobicContact CD2-CG 4.06Å; W332-P483 HydrophobicContact CE3-CG 4.07Å; W332-P483 HydrophobicContact CH2-CG 3.74Å; W332-P483 HydrophobicContact CZ2-CG 3.73Å; W332-P483 HydrophobicContact CZ3-CG 3.92Å
333	N	92.2	Very high	92.6	Very high	7 Å²	7	23 Å²	23	4%	0.037	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	124.3	173.4	-171.8	-23.6	0	0	0	110.2	L298 K319 G335 Y351 Y361	L298-N333 HydrophobicContact CD1-CB 4.43Å; L298-N333 HydrophobicContact CD2-CB 4.37Å; K319-N333 PolarHBondContact O-N 3.5Å; N333-G335 PolarHBondContact OD1-N 2.68Å; N333-Y351 PolarHBondContact ND2-OH 2.95Å; N333-Y361 PolarHBondContact OD1-O 3.09Å
334	I	89.8	Confident	92.3	Very high	4 Å²	4	23.1 Å²	23.1	2%	0.021	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	16.3	-177.4	53.3	167.7	0	0	0	112.4	W332 Y339 Y361 L363 L480	W332-I334 HydrophobicContact CD2-CG2 4.49Å; W332-I334 HydrophobicContact CG-CG2 4.32Å; W332-I334 PolarHBondContact O-N 3.2Å; I334-Y339 HydrophobicContact CB-CD2 4.44Å; I334-Y339 HydrophobicContact CD1-CD2 3.96Å; I334-Y339 HydrophobicContact CD1-CG 4.2Å; I334-Y361 VanDerWaalsContact CG1-O 3.27Å; I334-Y361 WeakPolarHBondContact CG1-O 3.3Å; I334-Y361 PolarHBondContact N-O 2.99Å; I334-L363 HydrophobicContact CD1-CD2 4.3Å; I334-L363 HydrophobicContact CD1-CG 4.19Å; I334-L363 HydrophobicContact CG2-CD1 4.25Å; I334-L363 HydrophobicContact CG2-CG 3.98Å; I334-L480 HydrophobicContact CG2-CD1 3.97Å; I334-L480 HydrophobicContact CG2-CD2 4.1Å
335	G	88.7	Confident	92.3	Very high	2 Å²	2	23.1 Å²	23.1	2%	0.021	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	77.7	-153.4	178.2	0	0	0	0	0	113.2	N333 Q337 Y360 Y361	N333-G335 PolarHBondContact OD1-N 2.68Å; G335-Q337 VanDerWaalsContact C-N 3.33Å; G335-Q337 PolarHBondContact O-N 2.73Å; G335-Y360 CarbonylContact O-C 3.57Å; G335-Y360 WeakPolarHBondContact O-CA 3.3Å; G335-Y361 PolarHBondContact O-N 3.14Å
336	C	89.7	Confident	92.5	Very high	48 Å²	48	21.8 Å²	21.8	32%	0.324	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.8	8.9	-171.3	-57.3	0	0	0	0	114.5	R358 P359 Y361	C336-R358 HydrophobicContact CB-CB 4.49Å; C336-P359 WeakPolarHBondContact CA-O 3.39Å; C336-Y361 WeakPolarHBondContact O-CE2 3.22Å
337	Q	87.9	Confident	92.8	Very high	91 Å²	91	20.3 Å²	20.3	43%	0.425	11%	0.107	S	C	.	.	S	Bend	trans	-120.2	127.6	179.1	-179.8	62.2	38.6	0	0	109.6	G335 Y339	G335-Q337 VanDerWaalsContact C-N 3.33Å; G335-Q337 PolarHBondContact O-N 2.73Å; Q337-Y339 HydrophobicContact CG-CE2 4.36Å; Q337-Y339 WeakPolarHBondContact O-CD2 3.33Å
338	P	91.8	Very high	93	Very high	5 Å²	5	20.2 Å²	20.2	3%	0.032	11%	0.106	C	C	.	.			trans	-72	138	175.6	28.3	-35.3	0	0	0	111.9	F340 T347 Y361	P338-F340 HydrophobicContact CB-CE2 3.8Å; P338-F340 HydrophobicContact CB-CZ 3.87Å; P338-F340 HydrophobicContact CG-CE2 4.06Å; P338-F340 HydrophobicContact CG-CZ 4.29Å; P338-T347 HydrophobicContact CB-CG2 4Å; P338-Y361 HydrophobicContact CB-CD1 3.89Å; P338-Y361 HydrophobicContact CB-CD2 4.48Å; P338-Y361 HydrophobicContact CB-CE1 4.07Å; P338-Y361 HydrophobicContact CB-CG 4.11Å; P338-Y361 HydrophobicContact CG-CE1 4.35Å
339	Y	91.3	Very high	93	Very high	11 Å²	11	20.2 Å²	20.2	4%	0.043	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	138.1	171.3	-79.2	-121.7	0	0	0	108.5	I334 Q337 T347 L363 K466 A467 M478 L480	I334-Y339 HydrophobicContact CB-CD2 4.44Å; I334-Y339 HydrophobicContact CD1-CD2 3.96Å; I334-Y339 HydrophobicContact CD1-CG 4.2Å; Q337-Y339 HydrophobicContact CG-CE2 4.36Å; Q337-Y339 WeakPolarHBondContact O-CD2 3.33Å; Y339-T347 WeakPolarHBondContact O-CB 3.28Å; Y339-T347 WeakPolarHBondContact O-CG2 3.32Å; Y339-T347 PolarHBondContact O-OG1 3.49Å; Y339-L363 WeakPolarHBondContact O-CD2 3.3Å; Y339-K466 CarbonylContact C-O 3.57Å; Y339-K466 WeakPolarHBondContact CA-O 3.39Å; Y339-A467 HydrophobicContact CD1-CB 4.24Å; Y339-A467 HydrophobicContact CD2-CB 4.37Å; Y339-A467 HydrophobicContact CE1-CB 3.85Å; Y339-A467 HydrophobicContact CE2-CB 4Å; Y339-A467 HydrophobicContact CG-CB 4.47Å; Y339-M478 WeakPolarHBondContact CE1-O 3.41Å; Y339-L480 HydrophobicContact CD1-CD1 3.92Å; Y339-L480 HydrophobicContact CD1-CD2 4.18Å; Y339-L480 HydrophobicContact CD1-CG 3.83Å; Y339-L480 HydrophobicContact CE1-CD1 4.35Å; Y339-L480 HydrophobicContact CE1-CD2 3.84Å; Y339-L480 HydrophobicContact CE1-CG 3.74Å; Y339-L480 HydrophobicContact CG-CD1 4.41Å
340	F	92.3	Very high	93	Very high	15 Å²	15	19.6 Å²	19.6	7%	0.066	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	156.4	-179.5	-57.8	-89.6	0	0	0	110.4	Q173 L174 L242 P338 T347 K466 N468	Q173-F340 HydrophobicContact CG-CD1 4.29Å; Q173-F340 VanDerWaalsContact O-CD1 3.24Å; Q173-F340 WeakPolarHBondContact O-CD1 3.49Å; Q173-F340 WeakPolarHBondContact O-CE1 3.32Å; L174-F340 HydrophobicContact CD2-CB 4.24Å; L174-F340 HydrophobicContact CD2-CD1 4.34Å; L174-F340 HydrophobicContact CD2-CD2 4.01Å; L174-F340 HydrophobicContact CD2-CE2 4.43Å; L174-F340 HydrophobicContact CD2-CG 3.93Å; L242-F340 HydrophobicContact CD1-CE1 4.1Å; L242-F340 HydrophobicContact CD1-CZ 4.4Å; P338-F340 HydrophobicContact CB-CE2 3.8Å; P338-F340 HydrophobicContact CB-CZ 3.87Å; P338-F340 HydrophobicContact CG-CE2 4.06Å; P338-F340 HydrophobicContact CG-CZ 4.29Å; F340-T347 HydrophobicContact CD1-CG2 4.4Å; F340-T347 WeakPolarHBondContact CD1-OG1 3.45Å; F340-T347 HydrophobicContact CE1-CG2 4.22Å; F340-K466 PolarHBondContact N-O 3.37Å; F340-K466 PolarHBondContact O-N 3.47Å; F340-N468 HydrophobicContact CD2-CB 3.78Å; F340-N468 HydrophobicContact CE2-CB 3.73Å
341	S	88.8	Confident	92.9	Very high	4 Å²	4	20.1 Å²	20.1	3%	0.028	11%	0.106	C	C	.	.			trans	-139.1	132.8	-179.5	-176.1	0	0	0	0	111.5	Q173 K343	Q173-S341 PolarHBondContact NE2-O 2.99Å; Q173-S341 PolarHBondContact OE1-O 2.71Å; S341-K343 PolarHBondContact O-N 3.39Å; S341-K343 WeakPolarHBondContact OG-CB 3.42Å; S341-K343 PolarHBondContact OG-N 2.78Å; S341-K343 VanDerWaalsContact OG-N 3.09Å
342	D	86.1	Confident	92.9	Very high	112 Å²	112	21.2 Å²	21.2	60%	0.599	11%	0.11	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.3	3	169.5	72.1	-34.5	0	0	0	112.6
343	K	90.3	Very high	92.9	Very high	95 Å²	95	22.8 Å²	22.8	41%	0.413	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.4	19	-177.5	-51.2	-53.4	178.6	-150.9	0	113.9	S341 V345 P421 V461 L464	S341-K343 PolarHBondContact O-N 3.39Å; S341-K343 WeakPolarHBondContact OG-CB 3.42Å; S341-K343 PolarHBondContact OG-N 2.78Å; S341-K343 VanDerWaalsContact OG-N 3.09Å; K343-V345 PolarHBondContact O-N 2.95Å; K343-P421 WeakPolarHBondContact O-CB 3.27Å; K343-V461 HydrophobicContact CB-CB 3.89Å; K343-V461 HydrophobicContact CB-CG1 4.09Å; K343-L464 HydrophobicContact CG-CB 4.32Å; K343-L464 HydrophobicContact CG-CD1 4.06Å
344	G	91.8	Very high	92.9	Very high	15 Å²	15	23.2 Å²	23.2	16%	0.155	13%	0.125	C	C	.	.	S	Bend	trans	87.4	-9.6	170.3	0	0	0	0	0	116.2	W423	G344-W423 PolarHBondContact O-NE1 2.72Å
345	V	95.8	Very high	92.8	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	16%	0.155	C	C	.	.			trans	-67	141.3	169.8	69.7	0	0	0	0	110.2	K343 L363 E364 V461 A462 A465	K343-V345 PolarHBondContact O-N 2.95Å; V345-L363 HydrophobicContact CG1-CD2 4.32Å; V345-L363 HydrophobicContact CG2-CB 4.07Å; V345-E364 WeakPolarHBondContact CG2-O 3.44Å; V345-V461 HydrophobicContact CB-CG2 4.13Å; V345-A462 HydrophobicContact CG2-CB 3.99Å; V345-A465 HydrophobicContact CG1-CB 4.4Å
346	L	97.4	Very high	92.7	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	155.8	-179.8	-54.2	178	0	0	0	111.1	L178 P179 F184 L363 E364 W423	L178-L346 HydrophobicContact CD2-CB 4.21Å; L178-L346 HydrophobicContact CD2-CD1 4.12Å; L178-L346 HydrophobicContact CD2-CD2 3.99Å; L178-L346 HydrophobicContact CD2-CG 4.34Å; P179-L346 HydrophobicContact CG-CD2 4.24Å; F184-L346 HydrophobicContact CE1-CD1 4.23Å; F184-L346 HydrophobicContact CZ-CD1 4.05Å; F184-L346 HydrophobicContact CZ-CD2 4Å; L346-L363 CarbonylContact O-C 3.57Å; L346-L363 VanDerWaalsContact O-CA 3.3Å; L346-L363 WeakPolarHBondContact O-CA 3.33Å; L346-E364 HydrophobicContact CB-CB 4.23Å; L346-E364 VanDerWaalsContact CB-O 3.3Å; L346-E364 WeakPolarHBondContact CB-O 3.44Å; L346-E364 PolarHBondContact N-O 3.2Å; L346-E364 PolarHBondContact O-N 2.81Å; L346-W423 HydrophobicContact CD1-CH2 4.04Å; L346-W423 HydrophobicContact CD1-CZ2 4.05Å; L346-W423 HydrophobicContact CD2-CH2 4.02Å; L346-W423 HydrophobicContact CD2-CZ2 3.46Å; L346-W423 VanDerWaalsContact CD2-CZ2 3.46Å; L346-W423 HydrophobicContact CG-CH2 4.29Å; L346-W423 HydrophobicContact CG-CZ2 3.8Å
347	T	97.3	Very high	92.6	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	133	165.2	-44.1	0	0	0	0	108.1	G177 L242 P338 Y339 F340	G177-T347 WeakPolarHBondContact CA-O 3.46Å; G177-T347 PolarHBondContact O-N 3.29Å; L242-T347 HydrophobicContact CD1-CG2 3.98Å; P338-T347 HydrophobicContact CB-CG2 4Å; Y339-T347 WeakPolarHBondContact O-CB 3.28Å; Y339-T347 WeakPolarHBondContact O-CG2 3.32Å; Y339-T347 PolarHBondContact O-OG1 3.49Å; F340-T347 HydrophobicContact CD1-CG2 4.4Å; F340-T347 WeakPolarHBondContact CD1-OG1 3.45Å; F340-T347 HydrophobicContact CE1-CG2 4.22Å
348	T	97.7	Very high	92.8	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	167.5	-177.1	-169.3	0	0	0	0	110.7	S235 R236 Y361 A362 E364	S235-T348 PolarHBondContact OG-OG1 2.75Å; R236-T348 VanDerWaalsContact CD-OG1 3.32Å; R236-T348 WeakPolarHBondContact CD-OG1 3.46Å; R236-T348 PolarHBondContact NH1-OG1 3.28Å; T348-Y361 CarbonylContact O-C 3.48Å; T348-Y361 VanDerWaalsContact O-CA 3.27Å; T348-Y361 WeakPolarHBondContact O-CA 3.43Å; T348-A362 HydrophobicContact CG2-CB 4.02Å; T348-A362 PolarHBondContact N-O 3.32Å; T348-A362 PolarHBondContact O-N 2.95Å; T348-E364 HydrophobicContact CG2-CB 4.11Å
349	I	97.7	Very high	93	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	127.3	166.7	-61.1	-67.4	0	0	0	108.1	V231 T232 F240 L242 L245 Q295 P359 Y361	V231-I349 HydrophobicContact CB-CG2 4.17Å; V231-I349 HydrophobicContact CG2-CG2 3.76Å; T232-I349 HydrophobicContact CG2-CG2 4.13Å; F240-I349 HydrophobicContact CE1-CD1 4.45Å; F240-I349 HydrophobicContact CE1-CG1 3.89Å; F240-I349 HydrophobicContact CZ-CG1 4.37Å; L242-I349 HydrophobicContact CD2-CD1 4.04Å; L242-I349 HydrophobicContact CD2-CG1 3.83Å; L245-I349 HydrophobicContact CD2-CD1 3.62Å; L245-I349 HydrophobicContact CD2-CG1 4.41Å; Q295-I349 VanDerWaalsContact CG-O 3.31Å; Q295-I349 WeakPolarHBondContact CG-O 3.38Å; Q295-I349 PolarHBondContact NE2-O 3.2Å; I349-P359 HydrophobicContact CD1-CB 4.13Å; I349-Y361 HydrophobicContact CD1-CD1 3.76Å; I349-Y361 HydrophobicContact CD1-CE1 3.4Å
350	A	96.2	Very high	93.1	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	-48.8	169	0	0	0	0	0	110.5	Q295 L298 Y360 A362	Q295-A350 WeakPolarHBondContact CB-O 3.2Å; Q295-A350 WeakPolarHBondContact CG-O 3.29Å; L298-A350 HydrophobicContact CD2-CB 3.77Å; A350-Y360 WeakPolarHBondContact CB-O 3.27Å; A350-Y360 PolarHBondContact N-O 3.42Å; A350-A362 HydrophobicContact CB-CB 4.01Å
351	Y	96.6	Very high	93.2	Very high	12 Å²	12	42.4 Å²	42.4	5%	0.047	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-175.6	163.9	174.2	46.8	-99.9	0	0	0	110	V299 W303 N333 M353 Y360	V299-Y351 HydrophobicContact CG2-CD1 3.44Å; V299-Y351 VanDerWaalsContact CG2-CD1 3.44Å; V299-Y351 HydrophobicContact CG2-CE1 3.97Å; V299-Y351 HydrophobicContact CG2-CG 4.11Å; W303-Y351 HydrophobicContact CZ3-CE2 4.25Å; N333-Y351 PolarHBondContact ND2-OH 2.95Å; Y351-M353 HydrophobicContact CD1-CE 4.42Å; Y351-M353 HydrophobicContact CD2-CE 3.92Å; Y351-M353 HydrophobicContact CD2-CG 3.97Å; Y351-M353 HydrophobicContact CD2-SD 4.43Å; Y351-M353 HydrophobicContact CE2-CE 4.5Å; Y351-M353 HydrophobicContact CE2-CG 4.46Å; Y351-M353 HydrophobicContact CG-CE 3.87Å; Y351-Y360 HydrophobicContact CD2-CD2 4.08Å; Y351-Y360 HydrophobicContact CD2-CG 4.21Å; Y351-Y360 HydrophobicContact CE2-CD1 4.18Å; Y351-Y360 AromaticContact CE2-CD2 3.45Å; Y351-Y360 HydrophobicContact CE2-CD2 3.45Å; Y351-Y360 VanDerWaalsContact CE2-CD2 3.45Å; Y351-Y360 HydrophobicContact CE2-CE2 4.11Å; Y351-Y360 AromaticContact CE2-CG 3.49Å; Y351-Y360 HydrophobicContact CE2-CG 3.49Å; Y351-Y360 VanDerWaalsContact CE2-CG 3.49Å; Y351-Y360 AromaticContact CZ-CG 3.81Å; Y351-Y360 PolarHBondContact N-O 3.07Å; Y351-Y360 PolarHBondContact O-N 3.44Å
352	K	96.4	Very high	93.5	Very high	22 Å²	22	42.2 Å²	42.2	10%	0.096	22%	0.215	C	C	.	.			trans	-135.3	113.4	162.3	-174.1	-175.7	-177.9	-39.7	0	108.7	V231 L245 T267 S268 G354 S355 G357	V231-K352 HydrophobicContact CG2-CB 3.76Å; L245-K352 HydrophobicContact CD1-CD 3.92Å; T267-K352 WeakPolarHBondContact CB-O 3.28Å; T267-K352 HydrophobicContact CG2-CD 3.85Å; T267-K352 HydrophobicContact CG2-CG 4.28Å; S268-K352 WeakPolarHBondContact CB-O 3.44Å; S268-K352 PolarHBondContact N-O 3.01Å; S268-K352 PolarHBondContact OG-N 3.02Å; K352-G354 PolarHBondContact NZ-O 3.03Å; K352-G354 PolarHBondContact O-N 2.89Å; K352-S355 PolarHBondContact NZ-O 3.06Å; K352-G357 WeakPolarHBondContact CE-O 3.19Å; K352-G357 PolarHBondContact NZ-O 2.85Å
353	M	94.4	Very high	94	Very high	35 Å²	35	36.9 Å²	36.9	17%	0.172	19%	0.187	C	C	.	.			trans	-89.8	100.9	-177	-56.8	-56	-171.1	0	0	110.4	V299 W303 Y351 G357 T527 L530	V299-M353 HydrophobicContact CG1-CE 4.15Å; V299-M353 HydrophobicContact CG2-CE 3.89Å; W303-M353 HydrophobicContact CE3-CE 4.25Å; W303-M353 HydrophobicContact CH2-CE 4.13Å; W303-M353 HydrophobicContact CH2-CG 4.11Å; W303-M353 HydrophobicContact CZ3-CE 3.59Å; W303-M353 HydrophobicContact CZ3-CG 4.31Å; Y351-M353 HydrophobicContact CD1-CE 4.42Å; Y351-M353 HydrophobicContact CD2-CE 3.92Å; Y351-M353 HydrophobicContact CD2-CG 3.97Å; Y351-M353 HydrophobicContact CD2-SD 4.43Å; Y351-M353 HydrophobicContact CE2-CE 4.5Å; Y351-M353 HydrophobicContact CE2-CG 4.46Å; Y351-M353 HydrophobicContact CG-CE 3.87Å; M353-G357 WeakPolarHBondContact O-CA 3.36Å; M353-G357 PolarHBondContact O-N 2.79Å; M353-T527 HydrophobicContact CE-CG2 3.99Å; M353-T527 HydrophobicContact SD-CG2 4Å; M353-L530 HydrophobicContact CE-CD1 3.82Å; M353-L530 HydrophobicContact CG-CD1 4.04Å; M353-L530 HydrophobicContact SD-CD1 3.84Å
354	G	92.8	Very high	94.4	Very high	17 Å²	17	32.4 Å²	32.4	18%	0.175	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.2	169.3	-180	0	0	0	0	0	114.8	T267 S269 K352 K356 G357	T267-G354 WeakPolarHBondContact OG1-CA 3.32Å; T267-G354 PolarHBondContact OG1-N 2.85Å; S269-G354 WeakPolarHBondContact O-CA 3.39Å; S269-G354 PolarHBondContact O-N 3Å; S269-G354 VanDerWaalsContact O-N 3.07Å; K352-G354 PolarHBondContact NZ-O 3.03Å; K352-G354 PolarHBondContact O-N 2.89Å; G354-K356 PolarHBondContact O-N 2.98Å; G354-G357 PolarHBondContact O-N 2.99Å
355	S	87.3	Confident	94.6	Very high	95 Å²	95	31.7 Å²	31.7	66%	0.664	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63	-37.9	-177.3	59.8	0	0	0	0	113.3	K352	K352-S355 PolarHBondContact NZ-O 3.06Å
356	K	87	Confident	94.5	Very high	205 Å²	205	31.7 Å²	31.7	89%	0.891	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-18.8	178.3	-64	-176.7	-179.8	179.1	0	114.2	G354	G354-K356 PolarHBondContact O-N 2.98Å
357	G	87.7	Confident	94.4	Very high	26 Å²	26	31.7 Å²	31.7	27%	0.268	16%	0.16	S	C	.	.	S	Bend	trans	-71.8	142	179.4	0	0	0	0	0	112.2	K352 M353 G354	K352-G357 WeakPolarHBondContact CE-O 3.19Å; K352-G357 PolarHBondContact NZ-O 2.85Å; M353-G357 WeakPolarHBondContact O-CA 3.36Å; M353-G357 PolarHBondContact O-N 2.79Å; G354-G357 PolarHBondContact O-N 2.99Å
358	R	92.6	Very high	93.9	Very high	156 Å²	156	31.9 Å²	31.9	59%	0.589	16%	0.161	S	C	*	.	P	Polyproline II helix	trans	-70.6	147.5	170.6	-66.7	-176.7	-176.3	152.5	3.1	110.2	E311 C336	E311-R358 IonicContact OE2-NH1 3.84Å; E311-R358 PolarHBondContact OE2-NH1 3.11Å; C336-R358 HydrophobicContact CB-CB 4.49Å
359	P	95	Very high	93.6	Very high	26 Å²	26	33.4 Å²	33.4	17%	0.169	17%	0.168	C	C	.	.	P	Polyproline II helix	trans	-66.8	133.6	169.2	30.5	-35.8	0	0	0	109.8	L245 C336 I349 Y361	L245-P359 HydrophobicContact CD1-CB 3.97Å; L245-P359 HydrophobicContact CD1-CG 3.98Å; L245-P359 HydrophobicContact CD2-CB 4.25Å; C336-P359 WeakPolarHBondContact CA-O 3.39Å; I349-P359 HydrophobicContact CD1-CB 4.13Å; P359-Y361 HydrophobicContact CB-CE2 4.22Å; P359-Y361 HydrophobicContact CG-CE2 4.05Å
360	Y	94.2	Very high	93.5	Very high	59 Å²	59	33.4 Å²	33.4	23%	0.231	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	144	165.7	-77.8	-110	0	0	0	108.7	G335 A350 Y351	G335-Y360 CarbonylContact O-C 3.57Å; G335-Y360 WeakPolarHBondContact O-CA 3.3Å; A350-Y360 WeakPolarHBondContact CB-O 3.27Å; A350-Y360 PolarHBondContact N-O 3.42Å; Y351-Y360 HydrophobicContact CD2-CD2 4.08Å; Y351-Y360 HydrophobicContact CD2-CG 4.21Å; Y351-Y360 HydrophobicContact CE2-CD1 4.18Å; Y351-Y360 AromaticContact CE2-CD2 3.45Å; Y351-Y360 HydrophobicContact CE2-CD2 3.45Å; Y351-Y360 VanDerWaalsContact CE2-CD2 3.45Å; Y351-Y360 HydrophobicContact CE2-CE2 4.11Å; Y351-Y360 AromaticContact CE2-CG 3.49Å; Y351-Y360 HydrophobicContact CE2-CG 3.49Å; Y351-Y360 VanDerWaalsContact CE2-CG 3.49Å; Y351-Y360 AromaticContact CZ-CG 3.81Å; Y351-Y360 PolarHBondContact N-O 3.07Å; Y351-Y360 PolarHBondContact O-N 3.44Å
361	Y	94.9	Very high	93.4	Very high	12 Å²	12	34 Å²	34	5%	0.047	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	157.7	-179.5	-60	-91.2	0	0	0	110.6	L242 N333 I334 G335 C336 P338 T348 I349 P359	L242-Y361 HydrophobicContact CB-CE1 4.16Å; L242-Y361 HydrophobicContact CD2-CE1 4.37Å; L242-Y361 PolarHBondContact O-OH 3.12Å; N333-Y361 PolarHBondContact OD1-O 3.09Å; I334-Y361 VanDerWaalsContact CG1-O 3.27Å; I334-Y361 WeakPolarHBondContact CG1-O 3.3Å; I334-Y361 PolarHBondContact N-O 2.99Å; G335-Y361 PolarHBondContact O-N 3.14Å; C336-Y361 WeakPolarHBondContact O-CE2 3.22Å; P338-Y361 HydrophobicContact CB-CD1 3.89Å; P338-Y361 HydrophobicContact CB-CD2 4.48Å; P338-Y361 HydrophobicContact CB-CE1 4.07Å; P338-Y361 HydrophobicContact CB-CG 4.11Å; P338-Y361 HydrophobicContact CG-CE1 4.35Å; T348-Y361 CarbonylContact O-C 3.48Å; T348-Y361 VanDerWaalsContact O-CA 3.27Å; T348-Y361 WeakPolarHBondContact O-CA 3.43Å; I349-Y361 HydrophobicContact CD1-CD1 3.76Å; I349-Y361 HydrophobicContact CD1-CE1 3.4Å; P359-Y361 HydrophobicContact CB-CE2 4.22Å; P359-Y361 HydrophobicContact CG-CE2 4.05Å
362	A	95.4	Very high	93.2	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	147.8	170.2	0	0	0	0	0	111.2	L298 L331 W332 T348 A350	L298-A362 HydrophobicContact CD2-CB 4.25Å; L331-A362 HydrophobicContact CB-CB 4.47Å; W332-A362 CarbonylContact O-C 3.54Å; W332-A362 WeakPolarHBondContact O-CA 3.38Å; W332-A362 WeakPolarHBondContact O-CB 3.47Å; T348-A362 HydrophobicContact CG2-CB 4.02Å; T348-A362 PolarHBondContact N-O 3.32Å; T348-A362 PolarHBondContact O-N 2.95Å; A350-A362 HydrophobicContact CB-CB 4.01Å
363	L	96.2	Very high	93.1	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	137.1	154.4	-64.9	177.1	0	0	0	108.5	L331 W332 I334 Y339 V345 L346 A462 A465 L480	L331-L363 WeakPolarHBondContact CA-O 3.41Å; W332-L363 HydrophobicContact CB-CB 4.33Å; W332-L363 HydrophobicContact CE3-CD1 4.12Å; W332-L363 PolarHBondContact N-O 3.37Å; W332-L363 PolarHBondContact O-N 2.95Å; I334-L363 HydrophobicContact CD1-CD2 4.3Å; I334-L363 HydrophobicContact CD1-CG 4.19Å; I334-L363 HydrophobicContact CG2-CD1 4.25Å; I334-L363 HydrophobicContact CG2-CG 3.98Å; Y339-L363 WeakPolarHBondContact O-CD2 3.3Å; V345-L363 HydrophobicContact CG1-CD2 4.32Å; V345-L363 HydrophobicContact CG2-CB 4.07Å; L346-L363 CarbonylContact O-C 3.57Å; L346-L363 VanDerWaalsContact O-CA 3.3Å; L346-L363 WeakPolarHBondContact O-CA 3.33Å; L363-A462 HydrophobicContact CD1-CB 4.2Å; L363-A462 WeakPolarHBondContact CD1-O 3.47Å; L363-A465 HydrophobicContact CD1-CB 3.63Å; L363-A465 HydrophobicContact CD2-CB 3.98Å; L363-A465 HydrophobicContact CG-CB 4.47Å; L363-L480 HydrophobicContact CD1-CD1 3.47Å; L363-L480 VanDerWaalsContact CD1-CD1 3.47Å
364	E	97.4	Very high	93.3	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	134.5	178.6	-177.7	177.7	130.1	0	0	112.3	R128 R236 M330 L331 V345 L346 T348	R128-E364 IonicContact CZ-OE1 3.7Å; R128-E364 IonicContact CZ-OE2 3.35Å; R128-E364 IonicContact NH1-OE1 2.98Å; R128-E364 IonicContact NH1-OE2 2.79Å; R128-E364 PolarHBondContact NH1-OE2 2.99Å; R128-E364 VanDerWaalsContact NH2-CD 3.26Å; R128-E364 IonicContact NH2-OE1 2.93Å; R128-E364 PolarHBondContact NH2-OE1 2.8Å; R128-E364 IonicContact NH2-OE2 2.88Å; R128-E364 PolarHBondContact NH2-OE2 3.05Å; R128-E364 VanDerWaalsContact NH2-OE2 3.14Å; R236-E364 IonicContact CZ-OE1 3.78Å; R236-E364 VanDerWaalsContact CZ-OE1 3.23Å; R236-E364 IonicContact CZ-OE2 2.97Å; R236-E364 IonicContact NH1-OE1 3.3Å; R236-E364 PolarHBondContact NH1-OE1 2.8Å; R236-E364 IonicContact NH1-OE2 2.86Å; R236-E364 PolarHBondContact NH1-OE2 3.42Å; R236-E364 IonicContact NH2-OE1 3.53Å; R236-E364 PolarHBondContact NH2-OE1 2.89Å; R236-E364 IonicContact NH2-OE2 3.06Å; M330-E364 VanDerWaalsContact O-CA 3.27Å; M330-E364 WeakPolarHBondContact O-CA 3.34Å; L331-E364 HydrophobicContact CD1-CB 4.46Å; L331-E364 HydrophobicContact CD1-CG 3.77Å; L331-E364 HydrophobicContact CG-CB 4.27Å; L331-E364 HydrophobicContact CG-CG 4.11Å; V345-E364 WeakPolarHBondContact CG2-O 3.44Å; L346-E364 HydrophobicContact CB-CB 4.23Å; L346-E364 VanDerWaalsContact CB-O 3.3Å; L346-E364 WeakPolarHBondContact CB-O 3.44Å; L346-E364 PolarHBondContact N-O 3.2Å; L346-E364 PolarHBondContact O-N 2.81Å; T348-E364 HydrophobicContact CG2-CB 4.11Å
365	G	96.9	Very high	93.4	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	120.9	160.3	0	0	0	0	0	111.2	M330	M330-G365 PolarHBondContact N-O 2.81Å; M330-G365 PolarHBondContact O-N 3.32Å
366	A	94.5	Very high	93.6	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	128.4	174.5	0	0	0	0	0	110.3	Y183 F329 F419 C420	Y183-A366 HydrophobicContact CD1-CB 4.45Å; Y183-A366 HydrophobicContact CE1-CB 3.58Å; F329-A366 HydrophobicContact CD1-CB 3.81Å; F329-A366 HydrophobicContact CE1-CB 3.75Å; A366-F419 HydrophobicContact CB-CD2 4.16Å; A366-F419 WeakPolarHBondContact O-CB 3.48Å; A366-C420 WeakPolarHBondContact O-CB 3.34Å; A366-C420 PolarHBondContact O-N 3.45Å; A366-C420 VanDerWaalsContact O-N 3.11Å
367	I	94.7	Very high	94.1	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.005	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	114	175.1	-59.8	163.3	0	0	0	106.7	G327 A328 F369 Q454 V458	G327-I367 CarbonylContact C-O 3.57Å; G327-I367 WeakPolarHBondContact CA-O 3.42Å; A328-I367 HydrophobicContact CB-CB 4.02Å; A328-I367 HydrophobicContact CB-CD1 3.99Å; A328-I367 HydrophobicContact CB-CG2 4.38Å; A328-I367 PolarHBondContact N-O 3.34Å; A328-I367 WeakPolarHBondContact O-CA 3.11Å; A328-I367 WeakPolarHBondContact O-CB 3.38Å; A328-I367 PolarHBondContact O-N 3.45Å; I367-F369 PolarHBondContact O-N 2.75Å; I367-Q454 HydrophobicContact CD1-CB 3.7Å; I367-Q454 HydrophobicContact CG1-CB 3.98Å; I367-Q454 HydrophobicContact CG2-CB 3.83Å; I367-Q454 HydrophobicContact CG2-CG 4.21Å; I367-Q454 VanDerWaalsContact CG2-OE1 3.32Å; I367-V458 HydrophobicContact CD1-CG2 4.17Å; I367-V458 HydrophobicContact CG1-CG2 4Å
368	S	86.5	Confident	94.6	Very high	3 Å²	3	28.6 Å²	28.6	2%	0.021	12%	0.123	C	C	.	.	S	Bend	trans	-68.6	-33.9	-170.8	46	0	0	0	0	113.8	G327	G327-S368 WeakPolarHBondContact CA-O 3.43Å
369	F	91.8	Very high	94.6	Very high	33 Å²	33	25.3 Å²	25.3	15%	0.145	12%	0.12	C	C	.	.			trans	-125.3	112	-175.9	-72.5	-94.5	0	0	0	112.4	I367 A372 T373 P413 F415 S416 Q454	I367-F369 PolarHBondContact O-N 2.75Å; F369-A372 HydrophobicContact CD1-CB 3.51Å; F369-A372 HydrophobicContact CE1-CB 3.96Å; F369-A372 HydrophobicContact CG-CB 4.41Å; F369-T373 WeakPolarHBondContact CB-OG1 3.12Å; F369-P413 HydrophobicContact CB-CB 3.83Å; F369-P413 HydrophobicContact CB-CG 4.21Å; F369-P413 WeakPolarHBondContact CB-O 3.49Å; F369-P413 WeakPolarHBondContact CD2-O 3.5Å; F369-F415 HydrophobicContact CB-CD2 4.43Å; F369-F415 HydrophobicContact CD1-CB 4.24Å; F369-F415 AromaticContact CD1-CD2 3.49Å; F369-F415 HydrophobicContact CD1-CD2 3.49Å; F369-F415 VanDerWaalsContact CD1-CD2 3.49Å; F369-F415 HydrophobicContact CD1-CE2 4.24Å; F369-F415 HydrophobicContact CD1-CG 4.2Å; F369-F415 HydrophobicContact CD2-CB 4.36Å; F369-F415 HydrophobicContact CD2-CD2 4.35Å; F369-F415 HydrophobicContact CE1-CB 3.73Å; F369-F415 AromaticContact CE1-CD2 3.8Å; F369-F415 HydrophobicContact CE1-CD2 3.8Å; F369-F415 HydrophobicContact CE1-CG 4.04Å; F369-F415 HydrophobicContact CE2-CB 3.89Å; F369-F415 AromaticContact CG-CD2 3.83Å; F369-F415 HydrophobicContact CG-CD2 3.83Å; F369-F415 HydrophobicContact CZ-CB 3.56Å; F369-F415 HydrophobicContact CZ-CD2 4.39Å; F369-F415 HydrophobicContact CZ-CG 4.37Å; F369-S416 VanDerWaalsContact CE2-OG 3.3Å; F369-S416 WeakPolarHBondContact CE2-OG 3.28Å; F369-Q454 PolarHBondContact O-NE2 2.92Å
370	A	95	Very high	94.5	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	14%	0.144	C	C	.	.	S	Bend	trans	-130.1	-81.8	168.1	0	0	0	0	0	109.5	Y324 T326 A328 A372 T373 M374 S451 M492	Y324-A370 HydrophobicContact CD1-CB 4.46Å; T326-A370 PolarHBondContact O-N 3.41Å; A328-A370 HydrophobicContact CB-CB 3.83Å; A370-A372 PolarHBondContact O-N 2.86Å; A370-T373 WeakPolarHBondContact O-CB 3.18Å; A370-T373 PolarHBondContact O-N 2.92Å; A370-M374 PolarHBondContact O-N 3.28Å; A370-S451 WeakPolarHBondContact CA-OG 3.39Å; A370-S451 WeakPolarHBondContact CB-OG 3.49Å; A370-M492 HydrophobicContact CB-SD 3.84Å
371	G	94	Very high	94.5	Very high	11 Å²	11	32.8 Å²	32.8	11%	0.113	16%	0.155	C	C	.	.	H	α-helix	trans	-67	-27.1	177.4	0	0	0	0	0	112.5	G325 T326 T373 M374 R375 M492	G325-G371 WeakPolarHBondContact O-CA 3.41Å; G325-G371 PolarHBondContact O-N 3.17Å; T326-G371 PolarHBondContact O-N 3.06Å; T326-G371 VanDerWaalsContact O-N 3.11Å; G371-T373 VanDerWaalsContact C-N 3.31Å; G371-T373 PolarHBondContact O-N 3.49Å; G371-M374 PolarHBondContact O-N 3.32Å; G371-R375 WeakPolarHBondContact O-CB 3.5Å; G371-R375 PolarHBondContact O-N 3.02Å; G371-M492 WeakPolarHBondContact CA-SD 3.24Å; G371-M492 PolarHBondContact N-SD 3.43Å
372	A	92.2	Very high	94.6	Very high	16 Å²	16	38.5 Å²	38.5	13%	0.132	19%	0.187	C	C	.	.	H	α-helix	trans	-60.9	-37.9	169.5	0	0	0	0	0	112.4	T326 F369 A370 R375 W376	T326-A372 HydrophobicContact CG2-CB 3.92Å; T326-A372 WeakPolarHBondContact O-CB 3.07Å; T326-A372 PolarHBondContact O-N 3.27Å; F369-A372 HydrophobicContact CD1-CB 3.51Å; F369-A372 HydrophobicContact CE1-CB 3.96Å; F369-A372 HydrophobicContact CG-CB 4.41Å; A370-A372 PolarHBondContact O-N 2.86Å; A372-R375 PolarHBondContact O-N 3.28Å; A372-W376 WeakPolarHBondContact O-CB 3.46Å; A372-W376 PolarHBondContact O-N 2.98Å
373	T	95.8	Very high	94.7	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-62.5	-47.7	174.3	-52.9	0	0	0	0	110.7	F369 A370 G371 R375 W376 L377 L411 P413 F415	F369-T373 WeakPolarHBondContact CB-OG1 3.12Å; A370-T373 WeakPolarHBondContact O-CB 3.18Å; A370-T373 PolarHBondContact O-N 2.92Å; G371-T373 VanDerWaalsContact C-N 3.31Å; G371-T373 PolarHBondContact O-N 3.49Å; T373-R375 VanDerWaalsContact C-N 3.34Å; T373-R375 PolarHBondContact O-N 2.83Å; T373-W376 WeakPolarHBondContact O-CB 3.44Å; T373-W376 PolarHBondContact O-N 3.08Å; T373-L377 WeakPolarHBondContact O-CG 3.36Å; T373-L377 PolarHBondContact O-N 3.32Å; T373-L411 HydrophobicContact CG2-CD1 4.27Å; T373-L411 HydrophobicContact CG2-CD2 3.67Å; T373-P413 HydrophobicContact CG2-CB 4.11Å; T373-P413 VanDerWaalsContact OG1-CB 3.27Å; T373-P413 WeakPolarHBondContact OG1-CB 3.46Å; T373-F415 HydrophobicContact CG2-CE2 4.46Å
374	M	97.2	Very high	94.8	Very high	16 Å²	16	39.4 Å²	39.4	8%	0.079	19%	0.193	C	C	.	.	H	α-helix	trans	-65.4	-39.8	179.1	-57.7	-45.8	-64.4	0	0	111.6	A370 G371 W376 L377 K378 F384 C390 I444 L448 M492	A370-M374 PolarHBondContact O-N 3.28Å; G371-M374 PolarHBondContact O-N 3.32Å; M374-W376 VanDerWaalsContact C-N 3.33Å; M374-W376 PolarHBondContact O-N 2.87Å; M374-L377 HydrophobicContact CE-CD1 4.14Å; M374-L377 PolarHBondContact O-N 3.43Å; M374-L377 HydrophobicContact SD-CD1 4.05Å; M374-K378 WeakPolarHBondContact O-CB 3.42Å; M374-K378 PolarHBondContact O-N 3.18Å; M374-F384 HydrophobicContact CB-CZ 4.4Å; M374-F384 HydrophobicContact CE-CE1 4.08Å; M374-F384 HydrophobicContact CE-CZ 4.22Å; M374-F384 WeakPolarHBondContact O-CZ 3.43Å; M374-C390 WeakPolarHBondContact CE-SG 3.38Å; M374-I444 HydrophobicContact CE-CG2 4Å; M374-L448 HydrophobicContact CE-CB 4.19Å; M374-L448 HydrophobicContact SD-CB 4.16Å; M374-L448 PolarHBondContact SD-N 3.44Å; M374-L448 VanDerWaalsContact SD-N 3.41Å; M374-M492 HydrophobicContact CG-CE 3.64Å; M374-M492 HydrophobicContact CG-SD 4.46Å
375	R	94.5	Very high	94.7	Very high	123 Å²	123	47 Å²	47	46%	0.464	23%	0.226	S	C	.	.	H	α-helix	trans	-63.1	-39.7	173.5	-175.2	177.2	-65.4	136.2	0.5	111.7	G371 A372 T373 K378 T379	G371-R375 WeakPolarHBondContact O-CB 3.5Å; G371-R375 PolarHBondContact O-N 3.02Å; A372-R375 PolarHBondContact O-N 3.28Å; T373-R375 VanDerWaalsContact C-N 3.34Å; T373-R375 PolarHBondContact O-N 2.83Å; R375-K378 PolarHBondContact O-N 2.84Å; R375-T379 HydrophobicContact CG-CG2 4.07Å; R375-T379 WeakPolarHBondContact O-CB 3.38Å; R375-T379 WeakPolarHBondContact O-CG2 3.48Å; R375-T379 PolarHBondContact O-N 2.91Å; R375-T379 PolarHBondContact O-OG1 3.5Å
376	W	93.2	Very high	94.7	Very high	71 Å²	71	50.6 Å²	50.6	27%	0.269	25%	0.245	S	C	.	.	H	α-helix	trans	-64	-47.6	175.7	174.7	87.3	0	0	0	111.2	A372 T373 M374 K378 T379 K380 L381 L411 F415	A372-W376 WeakPolarHBondContact O-CB 3.46Å; A372-W376 PolarHBondContact O-N 2.98Å; T373-W376 WeakPolarHBondContact O-CB 3.44Å; T373-W376 PolarHBondContact O-N 3.08Å; M374-W376 VanDerWaalsContact C-N 3.33Å; M374-W376 PolarHBondContact O-N 2.87Å; W376-K378 VanDerWaalsContact C-N 3.3Å; W376-K378 PolarHBondContact O-N 2.84Å; W376-T379 PolarHBondContact O-N 2.83Å; W376-K380 HydrophobicContact CG-CB 4.27Å; W376-K380 HydrophobicContact CG-CG 4.29Å; W376-K380 WeakPolarHBondContact O-CA 3.42Å; W376-K380 VanDerWaalsContact O-CB 3.29Å; W376-K380 WeakPolarHBondContact O-CB 3.3Å; W376-K380 PolarHBondContact O-N 2.94Å; W376-L381 HydrophobicContact CE3-CD1 4.3Å; W376-L381 HydrophobicContact CH2-CD1 3.3Å; W376-L381 HydrophobicContact CH2-CD2 4.47Å; W376-L381 HydrophobicContact CH2-CG 3.91Å; W376-L381 HydrophobicContact CZ2-CD1 3.93Å; W376-L381 HydrophobicContact CZ2-CD2 4.33Å; W376-L381 HydrophobicContact CZ2-CG 4.03Å; W376-L381 HydrophobicContact CZ3-CD1 3.51Å; W376-L381 HydrophobicContact CZ3-CG 4.19Å; W376-L381 PolarHBondContact O-N 3.41Å; W376-L411 HydrophobicContact CZ3-CD1 4.49Å; W376-F415 HydrophobicContact CB-CZ 4.42Å; W376-F415 AromaticContact CD2-CE1 3.75Å; W376-F415 HydrophobicContact CD2-CE1 3.75Å; W376-F415 AromaticContact CD2-CZ 3.57Å; W376-F415 HydrophobicContact CD2-CZ 3.57Å; W376-F415 AromaticContact CE2-CE1 3.66Å; W376-F415 AromaticContact CE2-CZ 3.96Å; W376-F415 HydrophobicContact CE3-CE1 4.23Å; W376-F415 AromaticContact CE3-CZ 3.66Å; W376-F415 HydrophobicContact CE3-CZ 3.66Å; W376-F415 HydrophobicContact CG-CE1 4Å; W376-F415 AromaticContact CG-CZ 3.9Å; W376-F415 HydrophobicContact CG-CZ 3.9Å; W376-F415 HydrophobicContact CH2-CE1 4.49Å; W376-F415 HydrophobicContact CH2-CZ 4.45Å; W376-F415 HydrophobicContact CZ2-CE1 4.07Å; W376-F415 HydrophobicContact CZ2-CZ 4.4Å; W376-F415 HydrophobicContact CZ3-CZ 4.11Å; W376-F415 AromaticContact NE1-CE1 3.83Å
377	L	97.2	Very high	94.7	Very high	1 Å²	1	56.6 Å²	56.6	1%	0.005	28%	0.277	C	S	.	.	H	α-helix	trans	-55.6	-44.9	174.3	-74.2	169	0	0	0	111.9	T373 M374 L381 D382 A383 F384 L411	T373-L377 WeakPolarHBondContact O-CG 3.36Å; T373-L377 PolarHBondContact O-N 3.32Å; M374-L377 HydrophobicContact CE-CD1 4.14Å; M374-L377 PolarHBondContact O-N 3.43Å; M374-L377 HydrophobicContact SD-CD1 4.05Å; L377-L381 HydrophobicContact CD2-CD1 4.13Å; L377-L381 CarbonylContact O-C 3.55Å; L377-L381 WeakPolarHBondContact O-CB 3.15Å; L377-L381 PolarHBondContact O-N 3.01Å; L377-D382 PolarHBondContact O-N 3.09Å; L377-A383 HydrophobicContact CB-CB 4.23Å; L377-A383 VanDerWaalsContact O-CB 3.32Å; L377-A383 WeakPolarHBondContact O-CB 3.46Å; L377-A383 PolarHBondContact O-N 2.65Å; L377-F384 HydrophobicContact CB-CE1 3.98Å; L377-L411 HydrophobicContact CD2-CD1 4.42Å
378	K	96.8	Very high	94.8	Very high	72 Å²	72	60 Å²	60	31%	0.313	31%	0.305	S	S	.	.	H	α-helix	trans	-65.1	-54.8	176.9	174.9	171.3	-178.9	166.3	0	112.9	M374 R375 W376 D382 F384 K385	M374-K378 WeakPolarHBondContact O-CB 3.42Å; M374-K378 PolarHBondContact O-N 3.18Å; R375-K378 PolarHBondContact O-N 2.84Å; W376-K378 VanDerWaalsContact C-N 3.3Å; W376-K378 PolarHBondContact O-N 2.84Å; K378-D382 VanDerWaalsContact O-CA 3.3Å; K378-D382 WeakPolarHBondContact O-CA 3.16Å; K378-D382 PolarHBondContact O-N 3.15Å; K378-F384 HydrophobicContact CB-CD2 4.35Å; K378-F384 HydrophobicContact CB-CE1 4.02Å; K378-F384 HydrophobicContact CB-CE2 3.85Å; K378-F384 HydrophobicContact CB-CZ 3.68Å; K378-F384 HydrophobicContact CD-CD2 4.43Å; K378-F384 HydrophobicContact CD-CE2 3.95Å; K378-F384 HydrophobicContact CG-CD2 4.49Å; K378-F384 HydrophobicContact CG-CE2 4.22Å; K378-F384 WeakPolarHBondContact CG-O 3.24Å; K378-K385 WeakPolarHBondContact CE-O 3.35Å; K378-K385 PolarHBondContact NZ-O 2.54Å
379	T	93.7	Very high	95.4	Very high	87 Å²	87	62.1 Å²	62.1	53%	0.534	32%	0.315	S	S	.	.	H	α-helix	trans	-93.8	-22	-164.1	61.9	0	0	0	0	114.2	R375 W376	R375-T379 HydrophobicContact CG-CG2 4.07Å; R375-T379 WeakPolarHBondContact O-CB 3.38Å; R375-T379 WeakPolarHBondContact O-CG2 3.48Å; R375-T379 PolarHBondContact O-N 2.91Å; R375-T379 PolarHBondContact O-OG1 3.5Å; W376-T379 PolarHBondContact O-N 2.83Å
380	K	93.2	Very high	95.7	Very high	152 Å²	152	61.2 Å²	61.2	66%	0.661	31%	0.313	S	S	*	.	H	α-helix	trans	-107.7	-28.4	-178.9	-58.2	-58.8	-175.2	178.9	0	112.9	W376	W376-K380 HydrophobicContact CG-CB 4.27Å; W376-K380 HydrophobicContact CG-CG 4.29Å; W376-K380 WeakPolarHBondContact O-CA 3.42Å; W376-K380 VanDerWaalsContact O-CB 3.29Å; W376-K380 WeakPolarHBondContact O-CB 3.3Å; W376-K380 PolarHBondContact O-N 2.94Å
381	L	94.7	Very high	95.8	Very high	90 Å²	90	63.4 Å²	63.4	47%	0.471	32%	0.323	S	S	.	.	H	α-helix	trans	-110.7	-1.3	177.6	-64.1	-169.6	0	0	0	114.2	W376 L377 A383	W376-L381 HydrophobicContact CE3-CD1 4.3Å; W376-L381 HydrophobicContact CH2-CD1 3.3Å; W376-L381 HydrophobicContact CH2-CD2 4.47Å; W376-L381 HydrophobicContact CH2-CG 3.91Å; W376-L381 HydrophobicContact CZ2-CD1 3.93Å; W376-L381 HydrophobicContact CZ2-CD2 4.33Å; W376-L381 HydrophobicContact CZ2-CG 4.03Å; W376-L381 HydrophobicContact CZ3-CD1 3.51Å; W376-L381 HydrophobicContact CZ3-CG 4.19Å; W376-L381 PolarHBondContact O-N 3.41Å; L377-L381 HydrophobicContact CD2-CD1 4.13Å; L377-L381 CarbonylContact O-C 3.55Å; L377-L381 WeakPolarHBondContact O-CB 3.15Å; L377-L381 PolarHBondContact O-N 3.01Å; L381-A383 PolarHBondContact O-N 3.48Å; L381-A383 VanDerWaalsContact O-N 3.1Å
382	D	96.6	Very high	96	Very high	133 Å²	133	70.4 Å²	70.4	71%	0.711	35%	0.35	S	S	*	.			trans	49	36.4	-176.9	-162.8	35.9	0	0	0	112.8	L377 K378 F384	L377-D382 PolarHBondContact O-N 3.09Å; K378-D382 VanDerWaalsContact O-CA 3.3Å; K378-D382 WeakPolarHBondContact O-CA 3.16Å; K378-D382 PolarHBondContact O-N 3.15Å; D382-F384 VanDerWaalsContact C-N 3.32Å; D382-F384 PolarHBondContact O-N 2.95Å
383	A	97	Very high	96.3	Very high	13 Å²	13	70.9 Å²	70.9	11%	0.107	35%	0.351	C	S	.	.			trans	-69.5	-32.1	-172.1	0	0	0	0	0	112.3	L377 L381 I444	L377-A383 HydrophobicContact CB-CB 4.23Å; L377-A383 VanDerWaalsContact O-CB 3.32Å; L377-A383 WeakPolarHBondContact O-CB 3.46Å; L377-A383 PolarHBondContact O-N 2.65Å; L381-A383 PolarHBondContact O-N 3.48Å; L381-A383 VanDerWaalsContact O-N 3.1Å; A383-I444 HydrophobicContact CB-CD1 4.22Å; A383-I444 HydrophobicContact CB-CG1 3.93Å; A383-I444 WeakPolarHBondContact O-CD1 3.32Å
384	F	97.7	Very high	96.4	Very high	5 Å²	5	70.9 Å²	70.9	2%	0.022	35%	0.351	C	S	.	.			trans	-156.9	158.1	179.4	62.4	-87.8	0	0	0	111.1	M374 L377 K378 D382 D386 E389 C390 I444	M374-F384 HydrophobicContact CB-CZ 4.4Å; M374-F384 HydrophobicContact CE-CE1 4.08Å; M374-F384 HydrophobicContact CE-CZ 4.22Å; M374-F384 WeakPolarHBondContact O-CZ 3.43Å; L377-F384 HydrophobicContact CB-CE1 3.98Å; K378-F384 HydrophobicContact CB-CD2 4.35Å; K378-F384 HydrophobicContact CB-CE1 4.02Å; K378-F384 HydrophobicContact CB-CE2 3.85Å; K378-F384 HydrophobicContact CB-CZ 3.68Å; K378-F384 HydrophobicContact CD-CD2 4.43Å; K378-F384 HydrophobicContact CD-CE2 3.95Å; K378-F384 HydrophobicContact CG-CD2 4.49Å; K378-F384 HydrophobicContact CG-CE2 4.22Å; K378-F384 WeakPolarHBondContact CG-O 3.24Å; D382-F384 VanDerWaalsContact C-N 3.32Å; D382-F384 PolarHBondContact O-N 2.95Å; F384-D386 VanDerWaalsContact CD2-O 3.25Å; F384-D386 WeakPolarHBondContact CD2-O 3.49Å; F384-E389 HydrophobicContact CB-CB 4.44Å; F384-E389 HydrophobicContact CB-CG 4.18Å; F384-C390 HydrophobicContact CD1-CB 4.48Å; F384-C390 HydrophobicContact CD2-CB 3.66Å; F384-C390 HydrophobicContact CE1-CB 4.48Å; F384-C390 HydrophobicContact CE2-CB 3.64Å; F384-C390 HydrophobicContact CG-CB 4.08Å; F384-C390 HydrophobicContact CZ-CB 4.06Å; F384-I444 HydrophobicContact CB-CD1 4.02Å; F384-I444 HydrophobicContact CD1-CD1 3.95Å; F384-I444 HydrophobicContact CD1-CG1 3.89Å; F384-I444 HydrophobicContact CD1-CG2 4.21Å; F384-I444 HydrophobicContact CE1-CG2 4.39Å; F384-I444 HydrophobicContact CG-CD1 4.41Å
385	K	96.6	Very high	96.4	Very high	159 Å²	159	70.8 Å²	70.8	69%	0.691	35%	0.352	S	S	*	.	S	Bend	trans	-87.9	-40.9	-173.5	-63.6	172	-176.6	179.9	0	113.8	K378 E389	K378-K385 WeakPolarHBondContact CE-O 3.35Å; K378-K385 PolarHBondContact NZ-O 2.54Å; K385-E389 VanDerWaalsContact CB-OE2 3.3Å; K385-E389 WeakPolarHBondContact CB-OE2 3.45Å; K385-E389 VanDerWaalsContact CG-OE2 3.29Å; K385-E389 WeakPolarHBondContact CG-OE2 3.48Å; K385-E389 PolarHBondContact N-OE2 3.2Å
386	D	96.2	Very high	96.6	Very high	76 Å²	76	66.2 Å²	66.2	41%	0.406	34%	0.339	S	S	.	.	S	Bend	trans	-151.9	173.3	-174.8	60.1	41.3	0	0	0	112.2	F384 A388 E389 C390	F384-D386 VanDerWaalsContact CD2-O 3.25Å; F384-D386 WeakPolarHBondContact CD2-O 3.49Å; D386-A388 PolarHBondContact O-N 3Å; D386-A388 WeakPolarHBondContact OD1-CB 3.45Å; D386-A388 PolarHBondContact OD1-N 3.3Å; D386-A388 VanDerWaalsContact OD1-N 3.13Å; D386-E389 PolarHBondContact O-N 3.17Å; D386-E389 PolarHBondContact OD1-N 3.04Å; D386-C390 PolarHBondContact O-N 3.1Å
387	D	94.3	Very high	96.8	Very high	126 Å²	126	63.2 Å²	63.2	67%	0.674	33%	0.329	S	S	*	.	H	α-helix	trans	-65.8	-27.2	-174.9	-59.6	-12.2	0	0	0	111.6	C390 E391	D387-C390 WeakPolarHBondContact O-CB 3.23Å; D387-C390 PolarHBondContact O-N 3.26Å; D387-E391 WeakPolarHBondContact O-CB 3.37Å; D387-E391 PolarHBondContact O-N 2.83Å
388	A	97.1	Very high	96.8	Very high	72 Å²	72	65.6 Å²	65.6	60%	0.595	34%	0.338	S	S	*	.	H	α-helix	trans	-71.5	-41.2	176.6	0	0	0	0	0	111.8	D386 K392	D386-A388 PolarHBondContact O-N 3Å; D386-A388 WeakPolarHBondContact OD1-CB 3.45Å; D386-A388 PolarHBondContact OD1-N 3.3Å; D386-A388 VanDerWaalsContact OD1-N 3.13Å; A388-K392 WeakPolarHBondContact O-CB 3.33Å; A388-K392 PolarHBondContact O-N 3.13Å
389	E	98	Very high	96.7	Very high	49 Å²	49	70.7 Å²	70.7	23%	0.229	36%	0.355	C	S	.	.	H	α-helix	trans	-65.1	-42.9	171.5	-174	176.2	-158.8	0	0	111.1	F384 K385 D386 E391 K392 L393	F384-E389 HydrophobicContact CB-CB 4.44Å; F384-E389 HydrophobicContact CB-CG 4.18Å; K385-E389 VanDerWaalsContact CB-OE2 3.3Å; K385-E389 WeakPolarHBondContact CB-OE2 3.45Å; K385-E389 VanDerWaalsContact CG-OE2 3.29Å; K385-E389 WeakPolarHBondContact CG-OE2 3.48Å; K385-E389 PolarHBondContact N-OE2 3.2Å; D386-E389 PolarHBondContact O-N 3.17Å; D386-E389 PolarHBondContact OD1-N 3.04Å; E389-E391 VanDerWaalsContact C-N 3.35Å; E389-E391 PolarHBondContact O-N 2.9Å; E389-K392 PolarHBondContact O-N 3.4Å; E389-L393 HydrophobicContact CG-CD1 3.8Å; E389-L393 HydrophobicContact CG-CG 4.19Å; E389-L393 WeakPolarHBondContact O-CB 3.37Å; E389-L393 WeakPolarHBondContact O-CG 3.41Å; E389-L393 PolarHBondContact O-N 2.84Å
390	C	97.8	Very high	96.7	Very high	13 Å²	13	74.2 Å²	74.2	9%	0.088	36%	0.363	C	S	.	.	H	α-helix	trans	-54.9	-49.5	175.3	-178.6	0	0	0	0	111.7	M374 F384 D386 D387 S394	M374-C390 WeakPolarHBondContact CE-SG 3.38Å; F384-C390 HydrophobicContact CD1-CB 4.48Å; F384-C390 HydrophobicContact CD2-CB 3.66Å; F384-C390 HydrophobicContact CE1-CB 4.48Å; F384-C390 HydrophobicContact CE2-CB 3.64Å; F384-C390 HydrophobicContact CG-CB 4.08Å; F384-C390 HydrophobicContact CZ-CB 4.06Å; D386-C390 PolarHBondContact O-N 3.1Å; D387-C390 WeakPolarHBondContact O-CB 3.23Å; D387-C390 PolarHBondContact O-N 3.26Å; C390-S394 VanDerWaalsContact O-CB 3.24Å; C390-S394 WeakPolarHBondContact O-CB 3.24Å; C390-S394 PolarHBondContact O-N 3.07Å; C390-S394 PolarHBondContact O-OG 2.74Å
391	E	97.6	Very high	96.5	Very high	46 Å²	46	69.4 Å²	69.4	22%	0.215	34%	0.343	C	S	.	.	H	α-helix	trans	-62.6	-47.7	178.1	-176.4	60.1	-152.6	0	0	111.2	D387 E389 L393 S394 A395 S495 T497	D387-E391 WeakPolarHBondContact O-CB 3.37Å; D387-E391 PolarHBondContact O-N 2.83Å; E389-E391 VanDerWaalsContact C-N 3.35Å; E389-E391 PolarHBondContact O-N 2.9Å; E391-L393 PolarHBondContact O-N 3.13Å; E391-S394 PolarHBondContact O-N 3.48Å; E391-A395 WeakPolarHBondContact O-CB 3.21Å; E391-A395 PolarHBondContact O-N 3.32Å; E391-S495 WeakPolarHBondContact OE2-CA 3.49Å; E391-S495 VanDerWaalsContact OE2-CB 3.23Å; E391-S495 WeakPolarHBondContact OE2-CB 3.27Å; E391-S495 PolarHBondContact OE2-OG 3.47Å; E391-T497 WeakPolarHBondContact OE1-CB 3.43Å; E391-T497 PolarHBondContact OE1-N 3.26Å; E391-T497 PolarHBondContact OE1-OG1 3.44Å
392	K	98.3	Very high	96	Very high	158 Å²	158	66.4 Å²	66.4	69%	0.687	33%	0.334	S	S	*	.	H	α-helix	trans	-58.1	-47	-179.8	-179.7	-176.8	175.6	-176.2	0	112.2	A388 E389 S396	A388-K392 WeakPolarHBondContact O-CB 3.33Å; A388-K392 PolarHBondContact O-N 3.13Å; E389-K392 PolarHBondContact O-N 3.4Å; K392-S396 WeakPolarHBondContact O-CB 3.49Å; K392-S396 PolarHBondContact O-N 3.45Å
393	L	98.4	Very high	95.5	Very high	27 Å²	27	68 Å²	68	14%	0.141	34%	0.335	C	S	.	.	H	α-helix	trans	-68.1	-47.9	-179.1	-67.8	176.2	0	0	0	110.8	E389 E391 A395 S396 V397 I444	E389-L393 HydrophobicContact CG-CD1 3.8Å; E389-L393 HydrophobicContact CG-CG 4.19Å; E389-L393 WeakPolarHBondContact O-CB 3.37Å; E389-L393 WeakPolarHBondContact O-CG 3.41Å; E389-L393 PolarHBondContact O-N 2.84Å; E391-L393 PolarHBondContact O-N 3.13Å; L393-A395 PolarHBondContact O-N 3.28Å; L393-S396 WeakPolarHBondContact O-CB 3.44Å; L393-S396 PolarHBondContact O-N 3.47Å; L393-S396 VanDerWaalsContact O-N 3.12Å; L393-S396 PolarHBondContact O-OG 3.49Å; L393-V397 PolarHBondContact O-N 2.98Å; L393-I444 HydrophobicContact CB-CD1 4.31Å; L393-I444 HydrophobicContact CD1-CD1 3.49Å; L393-I444 VanDerWaalsContact CD1-CD1 3.49Å
394	S	98	Very high	95.2	Very high	0 Å²	0	71.5 Å²	71.5	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-61.3	-44.6	178.9	-58.1	0	0	0	0	112	C390 E391 S396 V397 Y398 I444 Y445	C390-S394 VanDerWaalsContact O-CB 3.24Å; C390-S394 WeakPolarHBondContact O-CB 3.24Å; C390-S394 PolarHBondContact O-N 3.07Å; C390-S394 PolarHBondContact O-OG 2.74Å; E391-S394 PolarHBondContact O-N 3.48Å; S394-S396 PolarHBondContact O-N 2.82Å; S394-V397 PolarHBondContact O-N 3.35Å; S394-Y398 PolarHBondContact O-N 2.99Å; S394-I444 WeakPolarHBondContact OG-CG2 3.28Å; S394-Y445 WeakPolarHBondContact O-CD2 3.31Å
395	A	97.6	Very high	95	Very high	14 Å²	14	76.4 Å²	76.4	12%	0.116	37%	0.374	C	S	.	.	H	α-helix	trans	-63.5	-31.3	177.4	0	0	0	0	0	112.1	E391 L393 R399 T497	E391-A395 WeakPolarHBondContact O-CB 3.21Å; E391-A395 PolarHBondContact O-N 3.32Å; L393-A395 PolarHBondContact O-N 3.28Å; A395-R399 WeakPolarHBondContact O-CG 3.46Å; A395-R399 PolarHBondContact O-N 3.09Å; A395-R399 VanDerWaalsContact O-N 3.13Å; A395-R399 PolarHBondContact O-NH1 3.02Å; A395-T497 WeakPolarHBondContact CA-OG1 3.47Å; A395-T497 WeakPolarHBondContact CB-OG1 3.39Å; A395-T497 PolarHBondContact N-OG1 2.82Å
396	S	98.1	Very high	94.9	Very high	27 Å²	27	72.4 Å²	72.4	19%	0.189	37%	0.365	C	S	.	.	H	α-helix	trans	-68.8	-37.7	176.4	83.7	0	0	0	0	112.5	K392 L393 S394 K400	K392-S396 WeakPolarHBondContact O-CB 3.49Å; K392-S396 PolarHBondContact O-N 3.45Å; L393-S396 WeakPolarHBondContact O-CB 3.44Å; L393-S396 PolarHBondContact O-N 3.47Å; L393-S396 VanDerWaalsContact O-N 3.12Å; L393-S396 PolarHBondContact O-OG 3.49Å; S394-S396 PolarHBondContact O-N 2.82Å; S396-K400 WeakPolarHBondContact O-CG 3.08Å
397	V	97.8	Very high	95	Very high	8 Å²	8	69 Å²	69	5%	0.048	35%	0.347	C	S	.	.	H	α-helix	trans	-69.9	-47	174.3	178.5	0	0	0	0	110	L393 S394 R399 K400 Q401 P408 D442 Y445	L393-V397 PolarHBondContact O-N 2.98Å; S394-V397 PolarHBondContact O-N 3.35Å; V397-R399 VanDerWaalsContact C-N 3.29Å; V397-R399 PolarHBondContact O-N 2.68Å; V397-K400 PolarHBondContact O-N 2.85Å; V397-Q401 WeakPolarHBondContact O-CG 3.16Å; V397-Q401 PolarHBondContact O-N 3.43Å; V397-P408 HydrophobicContact CG1-CG 4.11Å; V397-D442 WeakPolarHBondContact CG1-OD1 3.39Å; V397-Y445 HydrophobicContact CB-CD1 4.35Å; V397-Y445 HydrophobicContact CB-CD2 4.28Å; V397-Y445 HydrophobicContact CB-CG 3.94Å; V397-Y445 HydrophobicContact CG1-CD1 3.63Å; V397-Y445 HydrophobicContact CG1-CD2 4.39Å; V397-Y445 HydrophobicContact CG1-CE1 4.21Å; V397-Y445 HydrophobicContact CG1-CG 3.72Å
398	Y	96.9	Very high	95.1	Very high	50 Å²	50	65.3 Å²	65.3	20%	0.196	33%	0.329	C	S	.	.	H	α-helix	trans	-51.1	-46.3	176.8	179.4	-92.9	0	0	0	112.3	S394 K400 Q401 Y445 Q500 D504	S394-Y398 PolarHBondContact O-N 2.99Å; Y398-K400 VanDerWaalsContact C-N 3.31Å; Y398-K400 PolarHBondContact O-N 3.14Å; Y398-Q401 PolarHBondContact O-N 3.38Å; Y398-Y445 HydrophobicContact CD2-CE2 4.25Å; Y398-Q500 HydrophobicContact CE1-CG 4.21Å; Y398-Q500 HydrophobicContact CE2-CG 4.14Å; Y398-Q500 WeakPolarHBondContact OH-CG 3.29Å; Y398-D504 VanDerWaalsContact CE2-OD2 3.31Å; Y398-D504 WeakPolarHBondContact CE2-OD2 3.43Å; Y398-D504 PolarHBondContact OH-OD2 2.98Å
399	R	95.8	Very high	95.1	Very high	179 Å²	179	62 Å²	62	68%	0.675	30%	0.302	S	S	*	.	H	α-helix	trans	-69.3	-22.4	-179.9	-74.4	-171.2	-61.4	-86	-0.2	114.9	A395 V397	A395-R399 WeakPolarHBondContact O-CG 3.46Å; A395-R399 PolarHBondContact O-N 3.09Å; A395-R399 VanDerWaalsContact O-N 3.13Å; A395-R399 PolarHBondContact O-NH1 3.02Å; V397-R399 VanDerWaalsContact C-N 3.29Å; V397-R399 PolarHBondContact O-N 2.68Å
400	K	94.1	Very high	95.1	Very high	162 Å²	162	60.2 Å²	60.2	70%	0.704	29%	0.293	S	S	*	.	H	α-helix	trans	-89.7	-8.1	-178.8	-71.2	173.9	-176.2	177.2	0	112.8	S396 V397 Y398 G402	S396-K400 WeakPolarHBondContact O-CG 3.08Å; V397-K400 PolarHBondContact O-N 2.85Å; Y398-K400 VanDerWaalsContact C-N 3.31Å; Y398-K400 PolarHBondContact O-N 3.14Å; K400-G402 PolarHBondContact O-N 2.73Å
401	Q	88.7	Confident	95.2	Very high	50 Å²	50	59.6 Å²	59.6	23%	0.234	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-64	129.1	-177.2	-64.3	-152.5	-23.4	0	0	111.5	V397 Y398 D407 Y445 K569	V397-Q401 WeakPolarHBondContact O-CG 3.16Å; V397-Q401 PolarHBondContact O-N 3.43Å; Y398-Q401 PolarHBondContact O-N 3.38Å; Q401-D407 PolarHBondContact NE2-OD1 2.95Å; Q401-D407 PolarHBondContact OE1-OD1 3.48Å; Q401-Y445 PolarHBondContact NE2-OH 3.35Å; Q401-K569 VanDerWaalsContact OE1-CE 3.23Å
402	G	82.9	Confident	95.2	Very high	27 Å²	27	57.4 Å²	57.4	28%	0.278	28%	0.279	S	S	.	.	P	Polyproline II helix	trans	-76.4	167.1	171.3	0	0	0	0	0	113	K400 E405	K400-G402 PolarHBondContact O-N 2.73Å; G402-E405 WeakPolarHBondContact CA-OE2 3.38Å; G402-E405 PolarHBondContact N-OE2 3.21Å
403	F	86.2	Confident	95.1	Very high	168 Å²	168	49.9 Å²	49.9	74%	0.737	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.6	143.6	170.6	-61.2	-74.7	0	0	0	110.3	E405 D565	F403-E405 PolarHBondContact O-N 3.25Å; F403-D565 WeakPolarHBondContact CA-OD1 3.3Å
404	N	91	Very high	94.9	Very high	86 Å²	86	48.6 Å²	48.6	46%	0.46	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.2	26.7	-180	-60.3	-29.8	0	0	0	114.6	N564 D565	N404-N564 PolarHBondContact OD1-ND2 2.98Å; N404-D565 PolarHBondContact N-OD1 3.22Å; N404-D565 PolarHBondContact OD1-OD1 2.88Å
405	E	93.3	Very high	94.5	Very high	107 Å²	107	51.4 Å²	51.4	50%	0.5	25%	0.252	S	S	.	.			trans	-111.2	143.7	177.7	-70.5	176.4	175.7	0	0	111.4	G402 F403 K569	G402-E405 WeakPolarHBondContact CA-OE2 3.38Å; G402-E405 PolarHBondContact N-OE2 3.21Å; F403-E405 PolarHBondContact O-N 3.25Å; E405-K569 PolarHBondContact O-NZ 3.11Å
406	P	95.4	Very high	93.9	Very high	76 Å²	76	51.3 Å²	51.3	49%	0.494	25%	0.25	S	S	.	.			trans	-61.3	163.4	169.7	29.2	-34.7	0	0	0	110.4	Y410 V568	P406-Y410 WeakPolarHBondContact CA-OH 3.45Å; P406-Y410 HydrophobicContact CB-CE2 4.18Å; P406-Y410 VanDerWaalsContact CB-OH 3.27Å; P406-Y410 WeakPolarHBondContact CB-OH 3.4Å; P406-V568 HydrophobicContact CB-CG1 4.46Å
407	D	96.9	Very high	93.4	Very high	4 Å²	4	50 Å²	50	2%	0.021	24%	0.242	C	C	.	.			trans	-61.8	150.7	164.5	-74	-7	0	0	0	110.1	Q401 C409 Y410 R449 Y453 K569	Q401-D407 PolarHBondContact NE2-OD1 2.95Å; Q401-D407 PolarHBondContact OE1-OD1 3.48Å; D407-C409 PolarHBondContact O-N 3.38Å; D407-C409 VanDerWaalsContact O-N 3.11Å; D407-Y410 HydrophobicContact CB-CE1 4.01Å; D407-Y410 HydrophobicContact CB-CE2 4.37Å; D407-Y410 PolarHBondContact N-OH 3.3Å; D407-R449 IonicContact OD1-NH2 3.77Å; D407-R449 IonicContact OD2-CZ 2.78Å; D407-R449 IonicContact OD2-NE 3.65Å; D407-R449 PolarHBondContact OD2-NE 3.45Å; D407-R449 IonicContact OD2-NH2 2.72Å; D407-R449 PolarHBondContact OD2-NH2 2.91Å; D407-Y453 PolarHBondContact OD2-OH 3.33Å; D407-K569 IonicContact OD1-NZ 3.12Å; D407-K569 PolarHBondContact OD1-NZ 3.37Å
408	P	96.6	Very high	93.2	Very high	48 Å²	48	49.7 Å²	49.7	31%	0.312	24%	0.24	S	C	.	.	S	Bend	trans	-54.8	-33.7	-175.6	-27.4	34.6	0	0	0	113.8	V397 V438 D442	V397-P408 HydrophobicContact CG1-CG 4.11Å; P408-V438 WeakPolarHBondContact O-CG2 3.49Å; P408-D442 HydrophobicContact CB-CB 4.05Å; P408-D442 WeakPolarHBondContact CG-OD1 3.43Å
409	C	98	Very high	93	Very high	2 Å²	2	47.7 Å²	47.7	1%	0.014	23%	0.232	C	C	.	.			trans	-157.1	170	168.2	64.3	0	0	0	0	109.4	D407 C432 I434 V438	D407-C409 PolarHBondContact O-N 3.38Å; D407-C409 VanDerWaalsContact O-N 3.11Å; C409-C432 WeakPolarHBondContact CA-O 3.37Å; C409-C432 WeakPolarHBondContact CB-O 3.4Å; C409-I434 HydrophobicContact CB-CG1 4.33Å; C409-V438 HydrophobicContact CB-CG1 4.27Å; C409-V438 HydrophobicContact CB-CG2 4.45Å
410	Y	98.5	Very high	93	Very high	12 Å²	12	39.4 Å²	39.4	5%	0.047	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	138.7	180	-62	-94.8	0	0	0	110	P406 D407 I431 C432 Y453 K569 W573 S576	P406-Y410 WeakPolarHBondContact CA-OH 3.45Å; P406-Y410 HydrophobicContact CB-CE2 4.18Å; P406-Y410 VanDerWaalsContact CB-OH 3.27Å; P406-Y410 WeakPolarHBondContact CB-OH 3.4Å; D407-Y410 HydrophobicContact CB-CE1 4.01Å; D407-Y410 HydrophobicContact CB-CE2 4.37Å; D407-Y410 PolarHBondContact N-OH 3.3Å; Y410-I431 CarbonylContact O-C 3.59Å; Y410-I431 VanDerWaalsContact O-CA 3.29Å; Y410-I431 WeakPolarHBondContact O-CA 3.26Å; Y410-C432 PolarHBondContact N-O 2.91Å; Y410-C432 PolarHBondContact O-N 3.01Å; Y410-Y453 AromaticContact CD1-CE2 3.89Å; Y410-Y453 HydrophobicContact CD1-CE2 3.89Å; Y410-Y453 AromaticContact CE1-CE2 3.93Å; Y410-Y453 HydrophobicContact CE1-CE2 3.93Å; Y410-Y453 AromaticContact CE1-CZ 3.85Å; Y410-K569 WeakPolarHBondContact CE1-O 3.5Å; Y410-K569 PolarHBondContact OH-O 2.9Å; Y410-W573 HydrophobicContact CD1-CB 4.12Å; Y410-W573 HydrophobicContact CD1-CE3 4.49Å; Y410-W573 HydrophobicContact CE1-CB 4.16Å; Y410-W573 VanDerWaalsContact CE1-N 3.35Å; Y410-S576 VanDerWaalsContact CB-OG 3.26Å; Y410-S576 WeakPolarHBondContact CB-OG 3.37Å
411	L	98.5	Very high	93	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.005	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	116.4	174.5	-175.3	160.3	0	0	0	108.7	T373 W376 L377 P413 I431 A446 S450 W573	T373-L411 HydrophobicContact CG2-CD1 4.27Å; T373-L411 HydrophobicContact CG2-CD2 3.67Å; W376-L411 HydrophobicContact CZ3-CD1 4.49Å; L377-L411 HydrophobicContact CD2-CD1 4.42Å; L411-P413 HydrophobicContact CD2-CB 3.68Å; L411-P413 HydrophobicContact CD2-CG 4.39Å; L411-P413 WeakPolarHBondContact O-CD 3.09Å; L411-I431 HydrophobicContact CB-CG1 4.46Å; L411-I431 HydrophobicContact CD1-CD1 4.42Å; L411-I431 HydrophobicContact CD1-CG1 4.22Å; L411-I431 HydrophobicContact CG-CG1 4.11Å; L411-A446 HydrophobicContact CB-CB 4.09Å; L411-S450 WeakPolarHBondContact O-CB 3.5Å; L411-W573 WeakPolarHBondContact O-CZ3 3.32Å
412	V	98.4	Very high	93.2	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	110.4	172.8	-178.1	0	0	0	0	108.2	A414 L418 C429 V430 W573 V577	V412-A414 HydrophobicContact CG1-CB 4.43Å; V412-A414 PolarHBondContact O-N 3.25Å; V412-L418 HydrophobicContact CG1-CD1 4.34Å; V412-L418 HydrophobicContact CG1-CD2 4.07Å; V412-C429 WeakPolarHBondContact O-CA 3.25Å; V412-C429 PolarHBondContact O-SG 3.43Å; V412-V430 HydrophobicContact CB-CG2 3.85Å; V412-V430 HydrophobicContact CG2-CG2 4Å; V412-V430 PolarHBondContact N-O 3.06Å; V412-V430 PolarHBondContact O-N 3.09Å; V412-W573 HydrophobicContact CB-CH2 4.32Å; V412-W573 HydrophobicContact CB-CZ3 4.31Å; V412-W573 HydrophobicContact CG1-CH2 4.24Å; V412-W573 HydrophobicContact CG2-CE3 4.3Å; V412-W573 HydrophobicContact CG2-CH2 4.04Å; V412-W573 HydrophobicContact CG2-CZ3 3.72Å; V412-V577 HydrophobicContact CG1-CG2 4.36Å; V412-V577 HydrophobicContact CG2-CG2 4.15Å
413	P	96.1	Very high	93.7	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.17	C	C	.	.			trans	-89.1	49.7	-165.2	35.6	-35.7	0	0	0	112.8	F369 T373 L411 F415	F369-P413 HydrophobicContact CB-CB 3.83Å; F369-P413 HydrophobicContact CB-CG 4.21Å; F369-P413 WeakPolarHBondContact CB-O 3.49Å; F369-P413 WeakPolarHBondContact CD2-O 3.5Å; T373-P413 HydrophobicContact CG2-CB 4.11Å; T373-P413 VanDerWaalsContact OG1-CB 3.27Å; T373-P413 WeakPolarHBondContact OG1-CB 3.46Å; L411-P413 HydrophobicContact CD2-CB 3.68Å; L411-P413 HydrophobicContact CD2-CG 4.39Å; L411-P413 WeakPolarHBondContact O-CD 3.09Å; P413-F415 HydrophobicContact CB-CD2 4.26Å; P413-F415 HydrophobicContact CB-CE2 4.01Å; P413-F415 PolarHBondContact O-N 3.27Å
414	A	93.9	Very high	93.9	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.147	C	C	.	.			trans	-81.7	48	-177.6	0	0	0	0	0	113.2	V412 S416 G417 L418 A427 R428 C429	V412-A414 HydrophobicContact CG1-CB 4.43Å; V412-A414 PolarHBondContact O-N 3.25Å; A414-S416 VanDerWaalsContact C-N 3.26Å; A414-S416 PolarHBondContact O-N 2.98Å; A414-G417 WeakPolarHBondContact CA-O 3.34Å; A414-G417 PolarHBondContact O-N 3.2Å; A414-L418 HydrophobicContact CB-CD2 3.71Å; A414-L418 HydrophobicContact CB-CG 3.69Å; A414-A427 HydrophobicContact CB-CB 3.97Å; A414-R428 CarbonylContact O-C 3.58Å; A414-R428 VanDerWaalsContact O-CA 3.3Å; A414-R428 WeakPolarHBondContact O-CA 3.29Å; A414-C429 PolarHBondContact O-N 3.3Å
415	F	89.1	Confident	93.7	Very high	58 Å²	58	26.6 Å²	26.6	25%	0.254	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-34.2	-175.1	-67.2	-85.8	0	0	0	113.4	F369 T373 W376 P413 C429	F369-F415 HydrophobicContact CB-CD2 4.43Å; F369-F415 HydrophobicContact CD1-CB 4.24Å; F369-F415 AromaticContact CD1-CD2 3.49Å; F369-F415 HydrophobicContact CD1-CD2 3.49Å; F369-F415 VanDerWaalsContact CD1-CD2 3.49Å; F369-F415 HydrophobicContact CD1-CE2 4.24Å; F369-F415 HydrophobicContact CD1-CG 4.2Å; F369-F415 HydrophobicContact CD2-CB 4.36Å; F369-F415 HydrophobicContact CD2-CD2 4.35Å; F369-F415 HydrophobicContact CE1-CB 3.73Å; F369-F415 AromaticContact CE1-CD2 3.8Å; F369-F415 HydrophobicContact CE1-CD2 3.8Å; F369-F415 HydrophobicContact CE1-CG 4.04Å; F369-F415 HydrophobicContact CE2-CB 3.89Å; F369-F415 AromaticContact CG-CD2 3.83Å; F369-F415 HydrophobicContact CG-CD2 3.83Å; F369-F415 HydrophobicContact CZ-CB 3.56Å; F369-F415 HydrophobicContact CZ-CD2 4.39Å; F369-F415 HydrophobicContact CZ-CG 4.37Å; T373-F415 HydrophobicContact CG2-CE2 4.46Å; W376-F415 HydrophobicContact CB-CZ 4.42Å; W376-F415 AromaticContact CD2-CE1 3.75Å; W376-F415 HydrophobicContact CD2-CE1 3.75Å; W376-F415 AromaticContact CD2-CZ 3.57Å; W376-F415 HydrophobicContact CD2-CZ 3.57Å; W376-F415 AromaticContact CE2-CE1 3.66Å; W376-F415 AromaticContact CE2-CZ 3.96Å; W376-F415 HydrophobicContact CE3-CE1 4.23Å; W376-F415 AromaticContact CE3-CZ 3.66Å; W376-F415 HydrophobicContact CE3-CZ 3.66Å; W376-F415 HydrophobicContact CG-CE1 4Å; W376-F415 AromaticContact CG-CZ 3.9Å; W376-F415 HydrophobicContact CG-CZ 3.9Å; W376-F415 HydrophobicContact CH2-CE1 4.49Å; W376-F415 HydrophobicContact CH2-CZ 4.45Å; W376-F415 HydrophobicContact CZ2-CE1 4.07Å; W376-F415 HydrophobicContact CZ2-CZ 4.4Å; W376-F415 HydrophobicContact CZ3-CZ 4.11Å; W376-F415 AromaticContact NE1-CE1 3.83Å; P413-F415 HydrophobicContact CB-CD2 4.26Å; P413-F415 HydrophobicContact CB-CE2 4.01Å; P413-F415 PolarHBondContact O-N 3.27Å; F415-C429 HydrophobicContact CD1-CB 3.96Å; F415-C429 HydrophobicContact CD2-CB 4.4Å; F415-C429 HydrophobicContact CE1-CB 4.01Å; F415-C429 HydrophobicContact CE2-CB 4.45Å; F415-C429 HydrophobicContact CG-CB 4.15Å; F415-C429 HydrophobicContact CZ-CB 4.26Å
416	S	84.8	Confident	93.4	Very high	12 Å²	12	22.1 Å²	22.1	8%	0.084	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124.6	37.1	170.7	59.8	0	0	0	0	112	F369 A414	F369-S416 VanDerWaalsContact CE2-OG 3.3Å; F369-S416 WeakPolarHBondContact CE2-OG 3.28Å; A414-S416 VanDerWaalsContact C-N 3.26Å; A414-S416 PolarHBondContact O-N 2.98Å
417	G	89.3	Confident	93.3	Very high	1 Å²	1	18.5 Å²	18.5	1%	0.01	9%	0.09	C	C	.	.			trans	90.4	177.7	-174.5	0	0	0	0	0	113.6	A414 Q424 A427	A414-G417 WeakPolarHBondContact CA-O 3.34Å; A414-G417 PolarHBondContact O-N 3.2Å; G417-Q424 VanDerWaalsContact CA-O 3.28Å; G417-Q424 WeakPolarHBondContact CA-O 3.05Å; G417-A427 WeakPolarHBondContact CA-O 3.4Å
418	L	92.8	Very high	93.1	Very high	1 Å²	1	21.9 Å²	21.9	1%	0.005	10%	0.103	C	C	.	.	B	Isolated β-bridge	trans	-106.6	131.2	177.5	-69.7	172.7	0	0	0	110.6	V412 A414 W422 W423 Q424 A427 V577 L581	V412-L418 HydrophobicContact CG1-CD1 4.34Å; V412-L418 HydrophobicContact CG1-CD2 4.07Å; A414-L418 HydrophobicContact CB-CD2 3.71Å; A414-L418 HydrophobicContact CB-CG 3.69Å; L418-W422 HydrophobicContact CB-CB 3.78Å; L418-W422 HydrophobicContact CB-CG 4.2Å; L418-W422 HydrophobicContact CD1-CB 4.21Å; L418-W422 HydrophobicContact CD1-CG 4.01Å; L418-W423 CarbonylContact O-C 3.54Å; L418-W423 VanDerWaalsContact O-CA 3.26Å; L418-W423 WeakPolarHBondContact O-CA 3.11Å; L418-W423 PolarHBondContact O-N 2.86Å; L418-Q424 PolarHBondContact N-O 3.5Å; L418-Q424 PolarHBondContact O-N 2.94Å; L418-A427 HydrophobicContact CB-CB 4.4Å; L418-A427 HydrophobicContact CD1-CB 4.02Å; L418-A427 HydrophobicContact CG-CB 3.91Å; L418-V577 HydrophobicContact CD1-CG1 3.99Å; L418-L581 HydrophobicContact CD1-CD2 3.83Å
419	F	93.7	Very high	93	Very high	7 Å²	7	21.4 Å²	21.4	3%	0.031	10%	0.101	C	C	.	.			trans	-86	-139.2	173.8	-73.5	14.4	0	0	0	109.9	W148 H181 Y183 A366 W422 W423	W148-F419 HydrophobicContact CE3-CE2 4.07Å; W148-F419 AromaticContact CZ3-CE2 3.72Å; W148-F419 HydrophobicContact CZ3-CE2 3.72Å; W148-F419 HydrophobicContact CZ3-CZ 4.41Å; H181-F419 AromaticContact CE1-CE1 3.82Å; Y183-F419 HydrophobicContact CD1-CD2 4.13Å; Y183-F419 AromaticContact CD1-CE2 3.95Å; Y183-F419 HydrophobicContact CD1-CE2 3.95Å; Y183-F419 AromaticContact CD2-CE2 3.82Å; Y183-F419 HydrophobicContact CD2-CE2 3.82Å; Y183-F419 HydrophobicContact CD2-CZ 4.36Å; Y183-F419 HydrophobicContact CE1-CD2 4.4Å; Y183-F419 HydrophobicContact CE1-CE2 4.35Å; Y183-F419 HydrophobicContact CE2-CE2 4.26Å; Y183-F419 HydrophobicContact CG-CD2 4.32Å; Y183-F419 AromaticContact CG-CE2 3.69Å; Y183-F419 HydrophobicContact CG-CE2 3.69Å; Y183-F419 HydrophobicContact CG-CZ 4.21Å; A366-F419 HydrophobicContact CB-CD2 4.16Å; A366-F419 WeakPolarHBondContact O-CB 3.48Å; F419-W422 PolarHBondContact O-N 3.09Å; F419-W423 HydrophobicContact CB-CE3 4.42Å; F419-W423 HydrophobicContact CB-CH2 4.45Å; F419-W423 HydrophobicContact CB-CZ3 4.09Å; F419-W423 HydrophobicContact CD2-CZ3 4.49Å; F419-W423 HydrophobicContact CG-CZ3 4.18Å; F419-W423 PolarHBondContact O-N 3.45Å
420	C	94.2	Very high	93	Very high	5 Å²	5	22.2 Å²	22.2	3%	0.034	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	140.2	-176.3	-177	0	0	0	0	111.7	A366 W423 V458	A366-C420 WeakPolarHBondContact O-CB 3.34Å; A366-C420 PolarHBondContact O-N 3.45Å; A366-C420 VanDerWaalsContact O-N 3.11Å; C420-W423 HydrophobicContact CB-CZ2 3.87Å; C420-V458 HydrophobicContact CB-CG2 4.14Å
421	P	94.7	Very high	92.9	Very high	22 Å²	22	24.4 Å²	24.4	14%	0.143	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	cis	-86.1	-2.2	-6.6	34.8	-37.4	0	0	0	115	K343 D457 V461	K343-P421 WeakPolarHBondContact O-CB 3.27Å; P421-D457 HydrophobicContact CG-CB 4.02Å; P421-V461 HydrophobicContact CB-CB 4.3Å; P421-V461 HydrophobicContact CB-CG1 3.84Å; P421-V461 HydrophobicContact CB-CG2 3.65Å; P421-V461 HydrophobicContact CG-CG1 4.09Å; P421-V461 HydrophobicContact CG-CG2 4.31Å
422	W	93.8	Very high	92.8	Very high	73 Å²	73	25.3 Å²	25.3	28%	0.277	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-42.7	-166.7	-53.3	102.1	0	0	0	113.5	L418 F419 Q424 D457 V577	L418-W422 HydrophobicContact CB-CB 3.78Å; L418-W422 HydrophobicContact CB-CG 4.2Å; L418-W422 HydrophobicContact CD1-CB 4.21Å; L418-W422 HydrophobicContact CD1-CG 4.01Å; F419-W422 PolarHBondContact O-N 3.09Å; W422-Q424 VanDerWaalsContact C-N 3.32Å; W422-Q424 HydrophobicContact CB-CG 4.17Å; W422-Q424 WeakPolarHBondContact O-CG 3.46Å; W422-Q424 PolarHBondContact O-N 3.34Å; W422-Q424 PolarHBondContact O-NE2 3.43Å; W422-D457 WeakPolarHBondContact CZ2-OD2 3.5Å; W422-D457 PolarHBondContact NE1-OD2 3.13Å; W422-V577 HydrophobicContact CD2-CG1 3.97Å; W422-V577 HydrophobicContact CE3-CG1 4.12Å; W422-V577 HydrophobicContact CH2-CG1 3.87Å; W422-V577 HydrophobicContact CZ2-CB 4.33Å; W422-V577 HydrophobicContact CZ2-CG1 3.71Å; W422-V577 HydrophobicContact CZ2-CG2 4.32Å; W422-V577 HydrophobicContact CZ3-CG1 4.07Å
423	W	92.3	Very high	92.7	Very high	36 Å²	36	27.8 Å²	27.8	14%	0.136	15%	0.149	C	C	.	.			trans	48	51	-175.4	-59.2	107	0	0	0	112.7	P179 H181 Y183 F184 G344 L346 L418 F419 C420	P179-W423 HydrophobicContact CG-CD2 4.17Å; P179-W423 HydrophobicContact CG-CZ2 4.42Å; H181-W423 HydrophobicContact CB-CE3 4.36Å; H181-W423 HydrophobicContact CB-CZ3 4.49Å; H181-W423 AromaticContact CD2-CE3 3.45Å; H181-W423 VanDerWaalsContact CD2-CE3 3.45Å; H181-W423 AromaticContact CE1-CE3 3.99Å; H181-W423 AromaticContact CG-CE3 3.7Å; H181-W423 AromaticContact CG-CZ3 3.98Å; H181-W423 AromaticContact NE2-CE3 3.63Å; Y183-W423 HydrophobicContact CD1-CH2 4.01Å; Y183-W423 HydrophobicContact CD1-CZ3 4.09Å; F184-W423 HydrophobicContact CZ-CH2 4.25Å; G344-W423 PolarHBondContact O-NE1 2.72Å; L346-W423 HydrophobicContact CD1-CH2 4.04Å; L346-W423 HydrophobicContact CD1-CZ2 4.05Å; L346-W423 HydrophobicContact CD2-CH2 4.02Å; L346-W423 HydrophobicContact CD2-CZ2 3.46Å; L346-W423 VanDerWaalsContact CD2-CZ2 3.46Å; L346-W423 HydrophobicContact CG-CH2 4.29Å; L346-W423 HydrophobicContact CG-CZ2 3.8Å; L418-W423 CarbonylContact O-C 3.54Å; L418-W423 VanDerWaalsContact O-CA 3.26Å; L418-W423 WeakPolarHBondContact O-CA 3.11Å; L418-W423 PolarHBondContact O-N 2.86Å; F419-W423 HydrophobicContact CB-CE3 4.42Å; F419-W423 HydrophobicContact CB-CH2 4.45Å; F419-W423 HydrophobicContact CB-CZ3 4.09Å; F419-W423 HydrophobicContact CD2-CZ3 4.49Å; F419-W423 HydrophobicContact CG-CZ3 4.18Å; F419-W423 PolarHBondContact O-N 3.45Å; C420-W423 HydrophobicContact CB-CZ2 3.87Å
424	Q	90.6	Very high	92.7	Very high	58 Å²	58	32.5 Å²	32.5	27%	0.271	17%	0.173	S	C	.	.	B	Isolated β-bridge	trans	-113.2	92.4	-177.4	-62.2	-55.7	-50.2	0	0	111.1	G417 L418 W422 S426 A427 L581	G417-Q424 VanDerWaalsContact CA-O 3.28Å; G417-Q424 WeakPolarHBondContact CA-O 3.05Å; L418-Q424 PolarHBondContact N-O 3.5Å; L418-Q424 PolarHBondContact O-N 2.94Å; W422-Q424 VanDerWaalsContact C-N 3.32Å; W422-Q424 HydrophobicContact CB-CG 4.17Å; W422-Q424 WeakPolarHBondContact O-CG 3.46Å; W422-Q424 PolarHBondContact O-N 3.34Å; W422-Q424 PolarHBondContact O-NE2 3.43Å; Q424-S426 PolarHBondContact O-N 2.72Å; Q424-A427 HydrophobicContact CB-CB 4.04Å; Q424-A427 WeakPolarHBondContact O-CB 2.95Å; Q424-A427 PolarHBondContact O-N 3.03Å; Q424-L581 HydrophobicContact CB-CD2 4.31Å; Q424-L581 HydrophobicContact CG-CD2 4.04Å
425	E	86.2	Confident	92.7	Very high	35 Å²	35	36.7 Å²	36.7	16%	0.164	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-31	174.6	-66.8	-95.1	-173	0	0	112.8	A154 H181 S182 R428	A154-E425 WeakPolarHBondContact CB-OE2 3.28Å; H181-E425 IonicContact CD2-OE1 3.76Å; H181-E425 IonicContact CE1-OE1 3.59Å; H181-E425 PolarHBondContact CE1-OE1 2.51Å; H181-E425 VanDerWaalsContact CE1-OE1 3.26Å; H181-E425 IonicContact CG-OE1 3.24Å; H181-E425 IonicContact ND1-OE1 3.74Å; H181-E425 IonicContact NE2-OE1 2.78Å; H181-E425 PolarHBondContact NE2-OE1 3.01Å; S182-E425 WeakPolarHBondContact CB-OE1 3.32Å; S182-E425 PolarHBondContact N-OE1 3.23Å; S182-E425 PolarHBondContact OG-OE1 3.07Å; S182-E425 PolarHBondContact OG-OE2 2.97Å; E425-R428 PolarHBondContact O-NH1 2.8Å
426	S	87.6	Confident	93.1	Very high	13 Å²	13	39.1 Å²	39.1	9%	0.091	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-7.5	-178.2	61.4	0	0	0	0	114.6	Q424 W583 I584	Q424-S426 PolarHBondContact O-N 2.72Å; S426-W583 PolarHBondContact O-N 2.97Å; S426-I584 WeakPolarHBondContact CB-O 3.46Å; S426-I584 PolarHBondContact O-N 2.99Å
427	A	92.4	Very high	93.5	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	26%	0.263	C	S	.	.			trans	-67.3	146.9	177.9	0	0	0	0	0	111.1	A414 G417 L418 Q424 S580 L581	A414-A427 HydrophobicContact CB-CB 3.97Å; G417-A427 WeakPolarHBondContact CA-O 3.4Å; L418-A427 HydrophobicContact CB-CB 4.4Å; L418-A427 HydrophobicContact CD1-CB 4.02Å; L418-A427 HydrophobicContact CG-CB 3.91Å; Q424-A427 HydrophobicContact CB-CB 4.04Å; Q424-A427 WeakPolarHBondContact O-CB 2.95Å; Q424-A427 PolarHBondContact O-N 3.03Å; A427-S580 WeakPolarHBondContact CA-O 3.45Å; A427-L581 HydrophobicContact CB-CD2 4.25Å
428	R	93	Very high	93.8	Very high	75 Å²	75	46.9 Å²	46.9	28%	0.283	27%	0.271	S	S	.	.			trans	-130.1	152.5	178.3	-70.5	-64.2	177.8	-92.1	15.8	112.7	A414 E425 V430 S580 W583 I584	A414-R428 CarbonylContact O-C 3.58Å; A414-R428 VanDerWaalsContact O-CA 3.3Å; A414-R428 WeakPolarHBondContact O-CA 3.29Å; E425-R428 PolarHBondContact O-NH1 2.8Å; R428-V430 PolarHBondContact O-N 2.72Å; R428-S580 PolarHBondContact N-O 3.31Å; R428-S580 VanDerWaalsContact N-O 3.14Å; R428-S580 WeakPolarHBondContact O-CB 3.42Å; R428-W583 HydrophobicContact CB-CB 3.88Å; R428-W583 HydrophobicContact CB-CD2 4.34Å; R428-W583 HydrophobicContact CB-CG 3.68Å; R428-W583 HydrophobicContact CG-CB 3.96Å; R428-W583 HydrophobicContact CG-CG 3.86Å; R428-I584 HydrophobicContact CG-CG1 4.32Å
429	C	95.3	Very high	94	Very high	39 Å²	39	50.6 Å²	50.6	26%	0.264	29%	0.291	S	S	.	.			trans	-58.6	128	-179	179.4	0	0	0	0	110.6	V412 A414 F415	V412-C429 WeakPolarHBondContact O-CA 3.25Å; V412-C429 PolarHBondContact O-SG 3.43Å; A414-C429 PolarHBondContact O-N 3.3Å; F415-C429 HydrophobicContact CD1-CB 3.96Å; F415-C429 HydrophobicContact CD2-CB 4.4Å; F415-C429 HydrophobicContact CE1-CB 4.01Å; F415-C429 HydrophobicContact CE2-CB 4.45Å; F415-C429 HydrophobicContact CG-CB 4.15Å; F415-C429 HydrophobicContact CZ-CB 4.26Å
430	V	97.1	Very high	94.1	Very high	19 Å²	19	55.5 Å²	55.5	12%	0.115	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	145	177.5	-65.2	0	0	0	0	110.1	V412 R428 W583	V412-V430 HydrophobicContact CB-CG2 3.85Å; V412-V430 HydrophobicContact CG2-CG2 4Å; V412-V430 PolarHBondContact N-O 3.06Å; V412-V430 PolarHBondContact O-N 3.09Å; R428-V430 PolarHBondContact O-N 2.72Å; V430-W583 HydrophobicContact CG1-CE3 4.35Å; V430-W583 HydrophobicContact CG1-CZ3 4.24Å
431	I	97.6	Very high	94.3	Very high	58 Å²	58	55.8 Å²	55.8	30%	0.297	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	118.6	167.5	-53.6	168.6	0	0	0	106.8	Y410 L411 I434 L443	Y410-I431 CarbonylContact O-C 3.59Å; Y410-I431 VanDerWaalsContact O-CA 3.29Å; Y410-I431 WeakPolarHBondContact O-CA 3.26Å; L411-I431 HydrophobicContact CB-CG1 4.46Å; L411-I431 HydrophobicContact CD1-CD1 4.42Å; L411-I431 HydrophobicContact CD1-CG1 4.22Å; L411-I431 HydrophobicContact CG-CG1 4.11Å; I431-I434 HydrophobicContact CB-CD1 4.21Å; I431-I434 HydrophobicContact CG2-CD1 3.67Å; I431-I434 HydrophobicContact CG2-CG1 3.82Å; I431-L443 HydrophobicContact CD1-CD2 4.3Å; I431-L443 HydrophobicContact CG2-CD2 3.86Å
432	C	97	Very high	94.4	Very high	20 Å²	20	55.7 Å²	55.7	14%	0.135	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	153.3	-174	-66	0	0	0	0	111.3	C409 Y410 S576	C409-C432 WeakPolarHBondContact CA-O 3.37Å; C409-C432 WeakPolarHBondContact CB-O 3.4Å; Y410-C432 PolarHBondContact N-O 2.91Å; Y410-C432 PolarHBondContact O-N 3.01Å; C432-S576 WeakPolarHBondContact CB-OG 3.17Å
433	G	95.3	Very high	94.6	Very high	51 Å²	51	54.4 Å²	54.4	53%	0.526	31%	0.31	S	S	.	.			trans	78.6	12.6	176	0	0	0	0	0	115.2	T435	G433-T435 PolarHBondContact O-N 3.3Å
434	I	95.7	Very high	94.9	Very high	99 Å²	99	52.7 Å²	52.7	51%	0.508	30%	0.304	S	S	.	.			trans	-62.1	123.9	175.3	-58.7	-179.8	0	0	0	109.6	C409 I431 V438 L443	C409-I434 HydrophobicContact CB-CG1 4.33Å; I431-I434 HydrophobicContact CB-CD1 4.21Å; I431-I434 HydrophobicContact CG2-CD1 3.67Å; I431-I434 HydrophobicContact CG2-CG1 3.82Å; I434-V438 HydrophobicContact CG2-CB 4.14Å; I434-V438 HydrophobicContact CG2-CG1 4.32Å; I434-L443 HydrophobicContact CD1-CD2 4.44Å
435	T	95.1	Very high	95.2	Very high	89 Å²	89	50 Å²	50	55%	0.546	29%	0.291	S	S	.	.			trans	-116.9	171.8	168.8	66.6	0	0	0	0	109.7	G433 N437 V438	G433-T435 PolarHBondContact O-N 3.3Å; T435-N437 PolarHBondContact O-N 3.38Å; T435-V438 WeakPolarHBondContact O-CB 3.46Å; T435-V438 PolarHBondContact O-N 2.91Å
436	A	96	Very high	95.8	Very high	108 Å²	108	48.3 Å²	48.3	89%	0.893	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-16.9	-177	0	0	0	0	0	114.7
437	N	93.9	Very high	96.3	Very high	148 Å²	148	47.7 Å²	47.7	79%	0.791	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.8	-6.9	178.3	-67.3	-16.1	0	0	0	113.6	T435 D439	T435-N437 PolarHBondContact O-N 3.38Å; N437-D439 PolarHBondContact O-N 3.49Å
438	V	96.3	Very high	96.6	Very high	29 Å²	29	47.9 Å²	47.9	18%	0.176	28%	0.28	C	S	.	.			trans	-73.6	123.4	-179.7	172.2	0	0	0	0	109.5	P408 C409 I434 T435 D442 L443	P408-V438 WeakPolarHBondContact O-CG2 3.49Å; C409-V438 HydrophobicContact CB-CG1 4.27Å; C409-V438 HydrophobicContact CB-CG2 4.45Å; I434-V438 HydrophobicContact CG2-CB 4.14Å; I434-V438 HydrophobicContact CG2-CG1 4.32Å; T435-V438 WeakPolarHBondContact O-CB 3.46Å; T435-V438 PolarHBondContact O-N 2.91Å; V438-D442 WeakPolarHBondContact CA-OD2 3.17Å; V438-D442 HydrophobicContact CG1-CB 3.82Å; V438-L443 HydrophobicContact CG1-CD2 4.47Å
439	D	95.7	Very high	96.8	Very high	79 Å²	79	44.4 Å²	44.4	42%	0.422	27%	0.267	S	S	.	.			trans	-111.4	-176.7	178.7	79.4	26.5	0	0	0	113	N437 S441 D442 L443	N437-D439 PolarHBondContact O-N 3.49Å; D439-S441 VanDerWaalsContact C-N 3.25Å; D439-S441 PolarHBondContact O-N 3.09Å; D439-S441 VanDerWaalsContact OD1-CA 3.3Å; D439-S441 WeakPolarHBondContact OD1-CA 3.47Å; D439-S441 WeakPolarHBondContact OD1-CB 3.48Å; D439-S441 PolarHBondContact OD1-N 3.35Å; D439-S441 PolarHBondContact OD1-OG 3.05Å; D439-D442 PolarHBondContact N-OD2 3.11Å; D439-D442 WeakPolarHBondContact O-CB 3.47Å; D439-D442 PolarHBondContact O-N 3.49Å; D439-D442 PolarHBondContact OD1-N 3.16Å; D439-L443 PolarHBondContact O-N 3.42Å
440	K	95.9	Very high	96.9	Very high	109 Å²	109	42.5 Å²	42.5	47%	0.474	25%	0.254	S	S	.	.	H	α-helix	trans	-61	-32.7	-179.7	67.1	171.6	-171.6	163	0	113.4	D442 L443 I444	K440-D442 VanDerWaalsContact C-N 3.32Å; K440-L443 PolarHBondContact O-N 2.95Å; K440-I444 WeakPolarHBondContact O-CD1 3.42Å; K440-I444 VanDerWaalsContact O-CG1 3.23Å; K440-I444 WeakPolarHBondContact O-CG1 3.26Å; K440-I444 PolarHBondContact O-N 3.03Å
441	S	98.1	Very high	97	Very high	11 Å²	11	41.6 Å²	41.6	8%	0.077	25%	0.249	C	C	.	.	H	α-helix	trans	-66	-40.2	179.2	-36.2	0	0	0	0	110	D439 I444 Y445	D439-S441 VanDerWaalsContact C-N 3.25Å; D439-S441 PolarHBondContact O-N 3.09Å; D439-S441 VanDerWaalsContact OD1-CA 3.3Å; D439-S441 WeakPolarHBondContact OD1-CA 3.47Å; D439-S441 WeakPolarHBondContact OD1-CB 3.48Å; D439-S441 PolarHBondContact OD1-N 3.35Å; D439-S441 PolarHBondContact OD1-OG 3.05Å; S441-I444 PolarHBondContact O-N 3.46Å; S441-Y445 WeakPolarHBondContact O-CB 3.29Å; S441-Y445 PolarHBondContact O-N 2.8Å
442	D	97.7	Very high	97	Very high	21 Å²	21	38.9 Å²	38.9	11%	0.112	24%	0.235	C	C	.	.	H	α-helix	trans	-63.7	-40.9	176.1	-62.3	-47.8	0	0	0	111.5	V397 P408 V438 D439 K440 Y445 A446	V397-D442 WeakPolarHBondContact CG1-OD1 3.39Å; P408-D442 HydrophobicContact CB-CB 4.05Å; P408-D442 WeakPolarHBondContact CG-OD1 3.43Å; V438-D442 WeakPolarHBondContact CA-OD2 3.17Å; V438-D442 HydrophobicContact CG1-CB 3.82Å; D439-D442 PolarHBondContact N-OD2 3.11Å; D439-D442 WeakPolarHBondContact O-CB 3.47Å; D439-D442 PolarHBondContact O-N 3.49Å; D439-D442 PolarHBondContact OD1-N 3.16Å; K440-D442 VanDerWaalsContact C-N 3.32Å; D442-Y445 PolarHBondContact O-N 2.91Å; D442-A446 WeakPolarHBondContact O-CB 3.45Å; D442-A446 PolarHBondContact O-N 2.64Å
443	L	97.6	Very high	97.1	Very high	45 Å²	45	38 Å²	38	24%	0.236	23%	0.229	C	C	.	.	H	α-helix	trans	-64.7	-41.1	175.8	-66.9	177.4	0	0	0	112.6	I431 I434 V438 D439 K440 A446 G447	I431-L443 HydrophobicContact CD1-CD2 4.3Å; I431-L443 HydrophobicContact CG2-CD2 3.86Å; I434-L443 HydrophobicContact CD1-CD2 4.44Å; V438-L443 HydrophobicContact CG1-CD2 4.47Å; D439-L443 PolarHBondContact O-N 3.42Å; K440-L443 PolarHBondContact O-N 2.95Å; L443-A446 PolarHBondContact O-N 2.96Å; L443-G447 PolarHBondContact O-N 3.15Å
444	I	98.3	Very high	97.2	Very high	0 Å²	0	36 Å²	36	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-63.4	-46.5	175.7	-64.7	163.1	0	0	0	109.9	M374 A383 F384 L393 S394 K440 S441 A446 G447 L448	M374-I444 HydrophobicContact CE-CG2 4Å; A383-I444 HydrophobicContact CB-CD1 4.22Å; A383-I444 HydrophobicContact CB-CG1 3.93Å; A383-I444 WeakPolarHBondContact O-CD1 3.32Å; F384-I444 HydrophobicContact CB-CD1 4.02Å; F384-I444 HydrophobicContact CD1-CD1 3.95Å; F384-I444 HydrophobicContact CD1-CG1 3.89Å; F384-I444 HydrophobicContact CD1-CG2 4.21Å; F384-I444 HydrophobicContact CE1-CG2 4.39Å; F384-I444 HydrophobicContact CG-CD1 4.41Å; L393-I444 HydrophobicContact CB-CD1 4.31Å; L393-I444 HydrophobicContact CD1-CD1 3.49Å; L393-I444 VanDerWaalsContact CD1-CD1 3.49Å; S394-I444 WeakPolarHBondContact OG-CG2 3.28Å; K440-I444 WeakPolarHBondContact O-CD1 3.42Å; K440-I444 VanDerWaalsContact O-CG1 3.23Å; K440-I444 WeakPolarHBondContact O-CG1 3.26Å; K440-I444 PolarHBondContact O-N 3.03Å; S441-I444 PolarHBondContact O-N 3.46Å; I444-A446 PolarHBondContact O-N 2.65Å; I444-G447 PolarHBondContact O-N 3.09Å; I444-L448 PolarHBondContact O-N 2.99Å
445	Y	98.4	Very high	97.4	Very high	1 Å²	1	31.2 Å²	31.2	0%	0.004	18%	0.181	C	C	.	.	H	α-helix	trans	-61.2	-43.3	176.9	-177.4	-103.2	0	0	0	111.5	S394 V397 Y398 Q401 S441 D442 G447 L448 R449 T497	S394-Y445 WeakPolarHBondContact O-CD2 3.31Å; V397-Y445 HydrophobicContact CB-CD1 4.35Å; V397-Y445 HydrophobicContact CB-CD2 4.28Å; V397-Y445 HydrophobicContact CB-CG 3.94Å; V397-Y445 HydrophobicContact CG1-CD1 3.63Å; V397-Y445 HydrophobicContact CG1-CD2 4.39Å; V397-Y445 HydrophobicContact CG1-CE1 4.21Å; V397-Y445 HydrophobicContact CG1-CG 3.72Å; Y398-Y445 HydrophobicContact CD2-CE2 4.25Å; Q401-Y445 PolarHBondContact NE2-OH 3.35Å; S441-Y445 WeakPolarHBondContact O-CB 3.29Å; S441-Y445 PolarHBondContact O-N 2.8Å; D442-Y445 PolarHBondContact O-N 2.91Å; Y445-G447 VanDerWaalsContact C-N 3.34Å; Y445-G447 PolarHBondContact O-N 3.39Å; Y445-L448 PolarHBondContact O-N 3.2Å; Y445-R449 HydrophobicContact CD1-CG 3.75Å; Y445-R449 HydrophobicContact CD2-CG 4.18Å; Y445-R449 HydrophobicContact CE1-CG 3.4Å; Y445-R449 HydrophobicContact CE2-CG 3.88Å; Y445-R449 HydrophobicContact CG-CG 4.13Å; Y445-R449 VanDerWaalsContact CZ-CD 3.44Å; Y445-R449 VanDerWaalsContact O-CB 3.29Å; Y445-R449 WeakPolarHBondContact O-CB 3.44Å; Y445-R449 WeakPolarHBondContact O-CG 3.39Å; Y445-R449 PolarHBondContact O-N 3Å; Y445-R449 WeakPolarHBondContact OH-CD 3.38Å; Y445-R449 PolarHBondContact OH-NE 2.84Å; Y445-T497 HydrophobicContact CD2-CG2 4.17Å; Y445-T497 HydrophobicContact CE2-CG2 3.9Å
446	A	98.4	Very high	97.5	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.008	17%	0.165	C	C	.	.	H	α-helix	trans	-61.3	-40	175	0	0	0	0	0	112.4	L411 D442 L443 I444 R449 S450	L411-A446 HydrophobicContact CB-CB 4.09Å; D442-A446 WeakPolarHBondContact O-CB 3.45Å; D442-A446 PolarHBondContact O-N 2.64Å; L443-A446 PolarHBondContact O-N 2.96Å; I444-A446 PolarHBondContact O-N 2.65Å; A446-R449 PolarHBondContact O-N 3.29Å; A446-S450 WeakPolarHBondContact O-CB 3.44Å; A446-S450 PolarHBondContact O-N 2.96Å
447	G	98.1	Very high	97.6	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-59.3	-45.8	172.8	0	0	0	0	0	112.7	L443 I444 Y445 S450	L443-G447 PolarHBondContact O-N 3.15Å; I444-G447 PolarHBondContact O-N 3.09Å; Y445-G447 VanDerWaalsContact C-N 3.34Å; Y445-G447 PolarHBondContact O-N 3.39Å; G447-S450 WeakPolarHBondContact O-CB 3.33Å; G447-S450 PolarHBondContact O-N 3.14Å; G447-S450 PolarHBondContact O-OG 2.97Å
448	L	97.6	Very high	97.7	Very high	3 Å²	3	17.6 Å²	17.6	2%	0.016	9%	0.086	C	C	.	.	H	α-helix	trans	-66.9	-45.7	177.8	-178	154	0	0	0	111.3	M374 I444 Y445 S450 S451 S495 T497 L498	M374-L448 HydrophobicContact CE-CB 4.19Å; M374-L448 HydrophobicContact SD-CB 4.16Å; M374-L448 PolarHBondContact SD-N 3.44Å; M374-L448 VanDerWaalsContact SD-N 3.41Å; I444-L448 PolarHBondContact O-N 2.99Å; Y445-L448 PolarHBondContact O-N 3.2Å; L448-S450 VanDerWaalsContact C-N 3.28Å; L448-S450 PolarHBondContact O-N 2.96Å; L448-S451 WeakPolarHBondContact O-CB 3.14Å; L448-S451 PolarHBondContact O-N 2.63Å; L448-S495 WeakPolarHBondContact CD1-OG 3.23Å; L448-T497 HydrophobicContact CD2-CG2 4.32Å; L448-L498 HydrophobicContact CD1-CB 4.22Å; L448-L498 HydrophobicContact CD2-CB 3.75Å; L448-L498 HydrophobicContact CD2-CD1 3.64Å; L448-L498 HydrophobicContact CD2-CG 4.31Å; L448-L498 HydrophobicContact CG-CB 3.99Å; L448-L498 HydrophobicContact CG-CD1 3.87Å; L448-L498 HydrophobicContact CG-CG 4.48Å; L448-L498 WeakPolarHBondContact O-CD1 3.3Å
449	R	97.7	Very high	97.7	Very high	2 Å²	2	16.4 Å²	16.4	1%	0.008	8%	0.079	C	C	.	.	H	α-helix	trans	-64.1	-28.5	177.9	-70.1	-76.7	-73	179	6.5	113.4	D407 Y445 A446 S451 V452 Y453 S501 I505	D407-R449 IonicContact OD1-NH2 3.77Å; D407-R449 IonicContact OD2-CZ 2.78Å; D407-R449 IonicContact OD2-NE 3.65Å; D407-R449 PolarHBondContact OD2-NE 3.45Å; D407-R449 IonicContact OD2-NH2 2.72Å; D407-R449 PolarHBondContact OD2-NH2 2.91Å; Y445-R449 HydrophobicContact CD1-CG 3.75Å; Y445-R449 HydrophobicContact CD2-CG 4.18Å; Y445-R449 HydrophobicContact CE1-CG 3.4Å; Y445-R449 HydrophobicContact CE2-CG 3.88Å; Y445-R449 HydrophobicContact CG-CG 4.13Å; Y445-R449 VanDerWaalsContact CZ-CD 3.44Å; Y445-R449 VanDerWaalsContact O-CB 3.29Å; Y445-R449 WeakPolarHBondContact O-CB 3.44Å; Y445-R449 WeakPolarHBondContact O-CG 3.39Å; Y445-R449 PolarHBondContact O-N 3Å; Y445-R449 WeakPolarHBondContact OH-CD 3.38Å; Y445-R449 PolarHBondContact OH-NE 2.84Å; A446-R449 PolarHBondContact O-N 3.29Å; R449-S451 PolarHBondContact O-N 3.3Å; R449-V452 WeakPolarHBondContact O-CA 3.33Å; R449-V452 WeakPolarHBondContact O-CB 3.41Å; R449-V452 PolarHBondContact O-N 3.22Å; R449-Y453 HydrophobicContact CB-CD2 4.17Å; R449-Y453 HydrophobicContact CB-CE2 3.87Å; R449-Y453 PolarHBondContact NH2-OH 3.29Å; R449-Y453 WeakPolarHBondContact O-CD2 3.13Å; R449-Y453 PolarHBondContact O-N 3.21Å; R449-S501 WeakPolarHBondContact CD-OG 3.34Å; R449-S501 VanDerWaalsContact NH1-CB 3.28Å; R449-S501 PolarHBondContact NH1-OG 3.48Å; R449-I505 VanDerWaalsContact NH2-CG1 3.34Å
450	S	98.4	Very high	97.6	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-56.4	-34.6	175.4	78	0	0	0	0	112.7	L411 A446 G447 L448 Q454	L411-S450 WeakPolarHBondContact O-CB 3.5Å; A446-S450 WeakPolarHBondContact O-CB 3.44Å; A446-S450 PolarHBondContact O-N 2.96Å; G447-S450 WeakPolarHBondContact O-CB 3.33Å; G447-S450 PolarHBondContact O-N 3.14Å; G447-S450 PolarHBondContact O-OG 2.97Å; L448-S450 VanDerWaalsContact C-N 3.28Å; L448-S450 PolarHBondContact O-N 2.96Å; S450-Q454 WeakPolarHBondContact O-CB 3.38Å; S450-Q454 VanDerWaalsContact O-CG 3.23Å; S450-Q454 WeakPolarHBondContact O-CG 3.21Å; S450-Q454 PolarHBondContact O-N 2.94Å; S450-Q454 VanDerWaalsContact O-N 3.09Å; S450-Q454 PolarHBondContact O-NE2 2.62Å
451	S	98.2	Very high	97.5	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-69.5	-36.9	177	-59.4	0	0	0	0	111.2	A370 L448 R449 T455	A370-S451 WeakPolarHBondContact CA-OG 3.39Å; A370-S451 WeakPolarHBondContact CB-OG 3.49Å; L448-S451 WeakPolarHBondContact O-CB 3.14Å; L448-S451 PolarHBondContact O-N 2.63Å; R449-S451 PolarHBondContact O-N 3.3Å; S451-T455 WeakPolarHBondContact O-CB 3.24Å; S451-T455 PolarHBondContact O-N 3.11Å; S451-T455 VanDerWaalsContact O-N 3.09Å; S451-T455 PolarHBondContact O-OG1 3.07Å
452	V	98.4	Very high	97.2	Very high	0 Å²	0	13 Å²	13	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-66.2	-49.5	176.7	171.7	0	0	0	0	111.1	R449 T455 Y456 L498 S501 L502 I505 L506	R449-V452 WeakPolarHBondContact O-CA 3.33Å; R449-V452 WeakPolarHBondContact O-CB 3.41Å; R449-V452 PolarHBondContact O-N 3.22Å; V452-T455 WeakPolarHBondContact O-CB 3.25Å; V452-T455 PolarHBondContact O-N 2.99Å; V452-T455 VanDerWaalsContact O-N 3.15Å; V452-Y456 PolarHBondContact O-N 3.1Å; V452-L498 HydrophobicContact CG2-CD1 3.55Å; V452-S501 WeakPolarHBondContact CG1-O 3.46Å; V452-L502 HydrophobicContact CB-CD1 4.47Å; V452-L502 HydrophobicContact CG1-CD1 4.24Å; V452-L502 HydrophobicContact CG2-CB 4.29Å; V452-L502 HydrophobicContact CG2-CD1 4.32Å; V452-I505 HydrophobicContact CG1-CB 3.58Å; V452-I505 HydrophobicContact CG1-CG1 3.8Å; V452-I505 HydrophobicContact CG1-CG2 4.06Å; V452-L506 HydrophobicContact CG1-CD1 4.28Å
453	Y	98.6	Very high	96.9	Very high	3 Å²	3	13.7 Å²	13.7	1%	0.012	7%	0.066	C	C	.	.	H	α-helix	trans	-64.7	-41.8	-178.8	-69.4	-58	0	0	0	112.9	D407 Y410 R449 T455 Y456 D457 I505 K569 L570 W573	D407-Y453 PolarHBondContact OD2-OH 3.33Å; Y410-Y453 AromaticContact CD1-CE2 3.89Å; Y410-Y453 HydrophobicContact CD1-CE2 3.89Å; Y410-Y453 AromaticContact CE1-CE2 3.93Å; Y410-Y453 HydrophobicContact CE1-CE2 3.93Å; Y410-Y453 AromaticContact CE1-CZ 3.85Å; R449-Y453 HydrophobicContact CB-CD2 4.17Å; R449-Y453 HydrophobicContact CB-CE2 3.87Å; R449-Y453 PolarHBondContact NH2-OH 3.29Å; R449-Y453 WeakPolarHBondContact O-CD2 3.13Å; R449-Y453 PolarHBondContact O-N 3.21Å; Y453-T455 VanDerWaalsContact C-N 3.28Å; Y453-T455 PolarHBondContact O-N 3.32Å; Y453-Y456 WeakPolarHBondContact O-CB 3.49Å; Y453-Y456 PolarHBondContact O-N 3.33Å; Y453-Y456 VanDerWaalsContact O-N 3.16Å; Y453-D457 PolarHBondContact O-N 3.32Å; Y453-I505 HydrophobicContact CD1-CG2 4.12Å; Y453-I505 HydrophobicContact CE1-CD1 4.06Å; Y453-I505 HydrophobicContact CE1-CG1 4.32Å; Y453-I505 HydrophobicContact CE1-CG2 4.3Å; Y453-K569 HydrophobicContact CE1-CB 4.28Å; Y453-K569 WeakPolarHBondContact OH-CB 3.29Å; Y453-L570 HydrophobicContact CD1-CD2 4.06Å; Y453-L570 HydrophobicContact CE1-CD2 4.39Å; Y453-W573 VanDerWaalsContact CB-CE2 3.41Å; Y453-W573 HydrophobicContact CD1-CB 3.8Å; Y453-W573 HydrophobicContact CD1-CD2 4.45Å; Y453-W573 AromaticContact CD1-CG 3.9Å; Y453-W573 HydrophobicContact CD1-CG 3.9Å; Y453-W573 HydrophobicContact CD2-CB 4.21Å; Y453-W573 HydrophobicContact CD2-CD2 4Å; Y453-W573 AromaticContact CD2-CE3 3.77Å; Y453-W573 HydrophobicContact CD2-CE3 3.77Å; Y453-W573 HydrophobicContact CD2-CG 4.19Å; Y453-W573 HydrophobicContact CD2-CZ3 4.44Å; Y453-W573 HydrophobicContact CE1-CB 4.07Å; Y453-W573 HydrophobicContact CE2-CB 4.46Å; Y453-W573 HydrophobicContact CG-CB 3.88Å; Y453-W573 AromaticContact CG-CD2 3.71Å; Y453-W573 HydrophobicContact CG-CD2 3.71Å; Y453-W573 AromaticContact CG-CE3 3.98Å; Y453-W573 HydrophobicContact CG-CE3 3.98Å; Y453-W573 AromaticContact CG-CG 3.64Å; Y453-W573 HydrophobicContact CG-CG 3.64Å
454	Q	98.2	Very high	96.5	Very high	7 Å²	7	15.1 Å²	15.1	3%	0.033	7%	0.073	C	C	.	.	H	α-helix	trans	-61.9	-37.8	173.1	-70.3	175.1	105.7	0	0	111.6	I367 F369 S450 Y456 D457 V458 W573	I367-Q454 HydrophobicContact CD1-CB 3.7Å; I367-Q454 HydrophobicContact CG1-CB 3.98Å; I367-Q454 HydrophobicContact CG2-CB 3.83Å; I367-Q454 HydrophobicContact CG2-CG 4.21Å; I367-Q454 VanDerWaalsContact CG2-OE1 3.32Å; F369-Q454 PolarHBondContact O-NE2 2.92Å; S450-Q454 WeakPolarHBondContact O-CB 3.38Å; S450-Q454 VanDerWaalsContact O-CG 3.23Å; S450-Q454 WeakPolarHBondContact O-CG 3.21Å; S450-Q454 PolarHBondContact O-N 2.94Å; S450-Q454 VanDerWaalsContact O-N 3.09Å; S450-Q454 PolarHBondContact O-NE2 2.62Å; Q454-Y456 VanDerWaalsContact C-N 3.33Å; Q454-Y456 PolarHBondContact O-N 3.41Å; Q454-D457 PolarHBondContact O-N 3.26Å; Q454-V458 WeakPolarHBondContact O-CG2 3.44Å; Q454-V458 PolarHBondContact O-N 3.37Å; Q454-V458 VanDerWaalsContact O-N 3.09Å; Q454-W573 HydrophobicContact CG-CH2 3.88Å; Q454-W573 HydrophobicContact CG-CZ2 3.63Å
455	T	98.1	Very high	96	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-66	-36.8	175.4	-49.3	0	0	0	0	111.5	V322 Y324 S451 V452 Y453 V458 L459 L502 L506	V322-T455 HydrophobicContact CG1-CG2 4.21Å; V322-T455 HydrophobicContact CG2-CG2 3.91Å; Y324-T455 PolarHBondContact OH-OG1 3.5Å; S451-T455 WeakPolarHBondContact O-CB 3.24Å; S451-T455 PolarHBondContact O-N 3.11Å; S451-T455 VanDerWaalsContact O-N 3.09Å; S451-T455 PolarHBondContact O-OG1 3.07Å; V452-T455 WeakPolarHBondContact O-CB 3.25Å; V452-T455 PolarHBondContact O-N 2.99Å; V452-T455 VanDerWaalsContact O-N 3.15Å; Y453-T455 VanDerWaalsContact C-N 3.28Å; Y453-T455 PolarHBondContact O-N 3.32Å; T455-V458 PolarHBondContact O-N 2.93Å; T455-L459 WeakPolarHBondContact O-CB 3.29Å; T455-L459 PolarHBondContact O-N 3.29Å; T455-L502 HydrophobicContact CG2-CD1 4.08Å; T455-L506 HydrophobicContact CG2-CD2 3.9Å
456	Y	97.6	Very high	95.3	Very high	51 Å²	51	21.1 Å²	21.1	20%	0.2	10%	0.1	C	C	.	.	H	α-helix	trans	-59.3	-50.3	172.8	174.5	-87.8	0	0	0	111.6	V452 Y453 Q454 V458 L459 F460 I505 L570	V452-Y456 PolarHBondContact O-N 3.1Å; Y453-Y456 WeakPolarHBondContact O-CB 3.49Å; Y453-Y456 PolarHBondContact O-N 3.33Å; Y453-Y456 VanDerWaalsContact O-N 3.16Å; Q454-Y456 VanDerWaalsContact C-N 3.33Å; Q454-Y456 PolarHBondContact O-N 3.41Å; Y456-V458 VanDerWaalsContact C-N 3.3Å; Y456-V458 PolarHBondContact O-N 2.85Å; Y456-L459 PolarHBondContact O-N 3.47Å; Y456-F460 HydrophobicContact CE1-CB 4.32Å; Y456-F460 VanDerWaalsContact O-CB 3.26Å; Y456-F460 WeakPolarHBondContact O-CB 3.35Å; Y456-F460 PolarHBondContact O-N 3.2Å; Y456-I505 HydrophobicContact CD2-CG2 4.03Å; Y456-I505 WeakPolarHBondContact CD2-O 2.97Å; Y456-I505 HydrophobicContact CG-CG2 4.16Å; Y456-L570 HydrophobicContact CD1-CD1 4.3Å; Y456-L570 HydrophobicContact CD1-CD2 3.34Å; Y456-L570 HydrophobicContact CD1-CG 4.45Å; Y456-L570 HydrophobicContact CD2-CD1 4.16Å; Y456-L570 HydrophobicContact CD2-CD2 4.02Å; Y456-L570 HydrophobicContact CE1-CD1 3.74Å; Y456-L570 HydrophobicContact CE1-CD2 3.57Å; Y456-L570 HydrophobicContact CE1-CG 4.26Å; Y456-L570 HydrophobicContact CE2-CD1 3.57Å; Y456-L570 HydrophobicContact CE2-CD2 4.2Å; Y456-L570 HydrophobicContact CG-CD1 4.49Å; Y456-L570 HydrophobicContact CG-CD2 3.6Å
457	D	97.6	Very high	94.4	Very high	7 Å²	7	21.9 Å²	21.9	4%	0.037	11%	0.106	C	C	.	.	H	α-helix	trans	-57.7	-46.5	-179	-67.8	-18.8	0	0	0	110.9	P421 W422 Y453 Q454 F460 V461 W573 H574	P421-D457 HydrophobicContact CG-CB 4.02Å; W422-D457 WeakPolarHBondContact CZ2-OD2 3.5Å; W422-D457 PolarHBondContact NE1-OD2 3.13Å; Y453-D457 PolarHBondContact O-N 3.32Å; Q454-D457 PolarHBondContact O-N 3.26Å; D457-F460 PolarHBondContact O-N 3.31Å; D457-V461 WeakPolarHBondContact O-CG2 3.48Å; D457-V461 PolarHBondContact O-N 2.98Å; D457-V461 VanDerWaalsContact O-N 3.09Å; D457-W573 PolarHBondContact OD2-NE1 3.41Å; D457-H574 IonicContact OD1-CD2 2.68Å; D457-H574 IonicContact OD1-CE1 3.58Å; D457-H574 IonicContact OD1-NE2 2.86Å; D457-H574 PolarHBondContact OD1-NE2 3.37Å
458	V	96.8	Very high	93.1	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-60	-52.3	177	163.4	0	0	0	0	111.9	M330 I367 C420 Q454 T455 Y456 F460 V461 A462	M330-V458 HydrophobicContact CB-CG1 3.83Å; M330-V458 HydrophobicContact CE-CG1 3.48Å; M330-V458 VanDerWaalsContact CE-CG1 3.48Å; M330-V458 HydrophobicContact CG-CG1 4.43Å; M330-V458 HydrophobicContact SD-CG1 3.8Å; I367-V458 HydrophobicContact CD1-CG2 4.17Å; I367-V458 HydrophobicContact CG1-CG2 4Å; C420-V458 HydrophobicContact CB-CG2 4.14Å; Q454-V458 WeakPolarHBondContact O-CG2 3.44Å; Q454-V458 PolarHBondContact O-N 3.37Å; Q454-V458 VanDerWaalsContact O-N 3.09Å; T455-V458 PolarHBondContact O-N 2.93Å; Y456-V458 VanDerWaalsContact C-N 3.3Å; Y456-V458 PolarHBondContact O-N 2.85Å; V458-F460 VanDerWaalsContact C-N 3.33Å; V458-F460 PolarHBondContact O-N 2.76Å; V458-V461 VanDerWaalsContact O-CG2 3.25Å; V458-V461 WeakPolarHBondContact O-CG2 3.4Å; V458-V461 PolarHBondContact O-N 3.4Å; V458-A462 WeakPolarHBondContact O-CB 3.38Å; V458-A462 PolarHBondContact O-N 3.43Å
459	L	95.2	Very high	91	Very high	5 Å²	5	27.2 Å²	27.2	3%	0.026	14%	0.135	C	C	.	.	H	α-helix	trans	-63.1	-43.1	-178.9	178.6	64.4	0	0	0	111	M330 T455 Y456 V461 A462 T463 P483 I486 L506 V508	M330-L459 HydrophobicContact CE-CD1 4.5Å; M330-L459 HydrophobicContact SD-CB 3.85Å; M330-L459 HydrophobicContact SD-CD1 3.73Å; M330-L459 HydrophobicContact SD-CG 4.4Å; T455-L459 WeakPolarHBondContact O-CB 3.29Å; T455-L459 PolarHBondContact O-N 3.29Å; Y456-L459 PolarHBondContact O-N 3.47Å; L459-V461 PolarHBondContact O-N 3.45Å; L459-A462 WeakPolarHBondContact O-CB 3.3Å; L459-A462 PolarHBondContact O-N 2.83Å; L459-T463 WeakPolarHBondContact O-CG2 3.41Å; L459-T463 PolarHBondContact O-N 3.17Å; L459-P483 HydrophobicContact CD1-CG 4Å; L459-I486 HydrophobicContact CD2-CD1 4.05Å; L459-L506 HydrophobicContact CD2-CB 4.31Å; L459-L506 HydrophobicContact CD2-CD2 3.84Å; L459-L506 HydrophobicContact CD2-CG 4.11Å; L459-V508 HydrophobicContact CD2-CG1 4.38Å
460	F	94.3	Very high	88.9	Confident	110 Å²	110	34.7 Å²	34.7	48%	0.482	17%	0.167	S	C	.	.	H	α-helix	trans	-57.6	-51.8	179.3	178.5	-100.1	0	0	0	111.1	Y456 D457 V458 A462 T463 L464	Y456-F460 HydrophobicContact CE1-CB 4.32Å; Y456-F460 VanDerWaalsContact O-CB 3.26Å; Y456-F460 WeakPolarHBondContact O-CB 3.35Å; Y456-F460 PolarHBondContact O-N 3.2Å; D457-F460 PolarHBondContact O-N 3.31Å; V458-F460 VanDerWaalsContact C-N 3.33Å; V458-F460 PolarHBondContact O-N 2.76Å; F460-A462 VanDerWaalsContact C-N 3.27Å; F460-A462 PolarHBondContact O-N 3.41Å; F460-T463 PolarHBondContact O-N 2.95Å; F460-T463 PolarHBondContact O-OG1 2.98Å; F460-L464 HydrophobicContact CE1-CD1 4.21Å
461	V	93.3	Very high	86.4	Confident	17 Å²	17	44.5 Å²	44.5	10%	0.103	21%	0.206	C	C	.	.	H	α-helix	trans	-67.7	-27.5	179	-60.5	0	0	0	0	113.3	K343 V345 P421 D457 V458 L459 T463 L464	K343-V461 HydrophobicContact CB-CB 3.89Å; K343-V461 HydrophobicContact CB-CG1 4.09Å; V345-V461 HydrophobicContact CB-CG2 4.13Å; P421-V461 HydrophobicContact CB-CB 4.3Å; P421-V461 HydrophobicContact CB-CG1 3.84Å; P421-V461 HydrophobicContact CB-CG2 3.65Å; P421-V461 HydrophobicContact CG-CG1 4.09Å; P421-V461 HydrophobicContact CG-CG2 4.31Å; D457-V461 WeakPolarHBondContact O-CG2 3.48Å; D457-V461 PolarHBondContact O-N 2.98Å; D457-V461 VanDerWaalsContact O-N 3.09Å; V458-V461 VanDerWaalsContact O-CG2 3.25Å; V458-V461 WeakPolarHBondContact O-CG2 3.4Å; V458-V461 PolarHBondContact O-N 3.4Å; L459-V461 PolarHBondContact O-N 3.45Å; V461-T463 VanDerWaalsContact C-N 3.29Å; V461-T463 PolarHBondContact O-N 3.28Å; V461-L464 WeakPolarHBondContact O-CB 3.27Å; V461-L464 PolarHBondContact O-N 2.77Å; V461-L464 VanDerWaalsContact O-N 3.09Å
462	A	93.1	Very high	83.6	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-65.1	-34.4	176.5	0	0	0	0	0	112	M330 W332 V345 L363 V458 L459 F460 L464 A465	M330-A462 HydrophobicContact CE-CB 3.66Å; W332-A462 HydrophobicContact CE3-CB 4.19Å; W332-A462 HydrophobicContact CZ3-CB 4.38Å; V345-A462 HydrophobicContact CG2-CB 3.99Å; L363-A462 HydrophobicContact CD1-CB 4.2Å; L363-A462 WeakPolarHBondContact CD1-O 3.47Å; V458-A462 WeakPolarHBondContact O-CB 3.38Å; V458-A462 PolarHBondContact O-N 3.43Å; L459-A462 WeakPolarHBondContact O-CB 3.3Å; L459-A462 PolarHBondContact O-N 2.83Å; F460-A462 VanDerWaalsContact C-N 3.27Å; F460-A462 PolarHBondContact O-N 3.41Å; A462-L464 PolarHBondContact O-N 2.9Å; A462-L464 VanDerWaalsContact O-N 3.15Å; A462-A465 WeakPolarHBondContact O-CB 3.25Å; A462-A465 PolarHBondContact O-N 3.28Å
463	T	90.8	Very high	80.9	Confident	35 Å²	35	56.7 Å²	56.7	22%	0.215	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-14.8	174	69.3	0	0	0	0	113.9	W332 L459 F460 V461 K482	W332-T463 HydrophobicContact CZ3-CG2 4.4Å; L459-T463 WeakPolarHBondContact O-CG2 3.41Å; L459-T463 PolarHBondContact O-N 3.17Å; F460-T463 PolarHBondContact O-N 2.95Å; F460-T463 PolarHBondContact O-OG1 2.98Å; V461-T463 VanDerWaalsContact C-N 3.29Å; V461-T463 PolarHBondContact O-N 3.28Å; T463-K482 HydrophobicContact CG2-CB 4.27Å; T463-K482 HydrophobicContact CG2-CG 4.16Å
464	L	89.1	Confident	78.1	Confident	75 Å²	75	64.8 Å²	64.8	39%	0.393	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-4.1	179.9	-52.4	177.8	0	0	0	113.1	K343 F460 V461 A462	K343-L464 HydrophobicContact CG-CB 4.32Å; K343-L464 HydrophobicContact CG-CD1 4.06Å; F460-L464 HydrophobicContact CE1-CD1 4.21Å; V461-L464 WeakPolarHBondContact O-CB 3.27Å; V461-L464 PolarHBondContact O-N 2.77Å; V461-L464 VanDerWaalsContact O-N 3.09Å; A462-L464 PolarHBondContact O-N 2.9Å; A462-L464 VanDerWaalsContact O-N 3.15Å
465	A	87.3	Confident	75.6	Confident	2 Å²	2	67.2 Å²	67.2	2%	0.017	34%	0.338	C	S	.	.			trans	-66.5	150.3	179.2	0	0	0	0	0	112.2	V345 L363 A462 L480	V345-A465 HydrophobicContact CG1-CB 4.4Å; L363-A465 HydrophobicContact CD1-CB 3.63Å; L363-A465 HydrophobicContact CD2-CB 3.98Å; L363-A465 HydrophobicContact CG-CB 4.47Å; A462-A465 WeakPolarHBondContact O-CB 3.25Å; A462-A465 PolarHBondContact O-N 3.28Å; A465-L480 HydrophobicContact CB-CD1 4.43Å
466	K	84.3	Confident	72.8	Confident	125 Å²	125	72.6 Å²	72.6	54%	0.543	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	145.5	-176.1	-64	176.7	-177.7	175.7	0	111.1	Y339 F340 L477	Y339-K466 CarbonylContact C-O 3.57Å; Y339-K466 WeakPolarHBondContact CA-O 3.39Å; F340-K466 PolarHBondContact N-O 3.37Å; F340-K466 PolarHBondContact O-N 3.47Å; K466-L477 HydrophobicContact CB-CD2 4.44Å; K466-L477 HydrophobicContact CD-CD2 4.01Å; K466-L477 HydrophobicContact CG-CD2 4.35Å
467	A	79.4	Confident	70.2	Confident	18 Å²	18	75.5 Å²	75.5	15%	0.149	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61	143.2	171.4	0	0	0	0	0	110.6	Y339 N469	Y339-A467 HydrophobicContact CD1-CB 4.24Å; Y339-A467 HydrophobicContact CD2-CB 4.37Å; Y339-A467 HydrophobicContact CE1-CB 3.85Å; Y339-A467 HydrophobicContact CE2-CB 4Å; Y339-A467 HydrophobicContact CG-CB 4.47Å; A467-N469 PolarHBondContact O-N 3.09Å
468	N	70.1	Confident	68.1	Low	40 Å²	40	80.8 Å²	80.8	21%	0.214	42%	0.417	C	S	.	.			trans	-79.1	106.5	171.4	-173.5	13	0	0	0	110.5	F340 K470	F340-N468 HydrophobicContact CD2-CB 3.78Å; F340-N468 HydrophobicContact CE2-CB 3.73Å; N468-K470 VanDerWaalsContact C-N 3.33Å; N468-K470 PolarHBondContact O-N 3.22Å; N468-K470 PolarHBondContact OD1-N 2.77Å
469	N	54.7	Low	66.5	Low	74 Å²	74	86 Å²	86	40%	0.396	45%	0.449	S	S	.	.			trans	-89.7	20.4	-178.9	-75.7	-3.6	0	0	0	114.4	A467 Y471	A467-N469 PolarHBondContact O-N 3.09Å; N469-Y471 PolarHBondContact O-N 2.82Å
470	K	52.9	Low	65.5	Low	159 Å²	159	87.1 Å²	87.1	69%	0.691	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-20.2	-179.6	-98.1	-169.9	176.8	-177	0	114.7	N468	N468-K470 VanDerWaalsContact C-N 3.33Å; N468-K470 PolarHBondContact O-N 3.22Å; N468-K470 PolarHBondContact OD1-N 2.77Å
471	Y	46.1	Very low	64.8	Low	207 Å²	207	88.8 Å²	88.8	81%	0.812	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.9	3	-174.2	-76.6	-72.7	0	0	0	117.3	N469	N469-Y471 PolarHBondContact O-N 2.82Å
472	H	38.9	Very low	64.4	Low	153 Å²	153	92.9 Å²	92.9	71%	0.708	48%	0.478	S	S	*	.			trans	-139.4	115.3	171.9	-84.9	-73.4	0	0	0	113
473	S	41.5	Very low	64	Low	103 Å²	103	93 Å²	93	72%	0.72	48%	0.479	S	S	*	.	S	Bend	trans	-57.6	139.6	166	59.7	0	0	0	0	111.5	A475	S473-A475 PolarHBondContact O-N 2.99Å
474	L	41.5	Very low	63.9	Low	173 Å²	173	96.4 Å²	96.4	91%	0.906	50%	0.5	S	S	*	.	S	Bend	trans	74.2	1.3	159.6	-63	161.9	0	0	0	119.8
475	A	44.8	Very low	64	Low	58 Å²	58	95.2 Å²	95.2	48%	0.479	49%	0.492	S	S	.	.			trans	-78.2	126.3	167.9	0	0	0	0	0	110.6	S473 L477	S473-A475 PolarHBondContact O-N 2.99Å; A475-L477 PolarHBondContact O-N 2.98Å
476	P	38.8	Very low	64.4	Low	112 Å²	112	95.1 Å²	95.1	73%	0.727	49%	0.491	S	S	*	.			trans	-58.7	140.2	177.3	20	-27.5	0	0	0	110.1	M478	P476-M478 PolarHBondContact O-N 2.89Å
477	L	44.4	Very low	64.9	Low	112 Å²	112	89.4 Å²	89.4	59%	0.586	47%	0.467	S	S	*	.			trans	-46.5	100.1	175.3	-85.6	128.9	0	0	0	109.8	K466 A475 T479	K466-L477 HydrophobicContact CB-CD2 4.44Å; K466-L477 HydrophobicContact CD-CD2 4.01Å; K466-L477 HydrophobicContact CG-CD2 4.35Å; A475-L477 PolarHBondContact O-N 2.98Å; L477-T479 PolarHBondContact O-N 3.26Å
478	M	52.4	Low	65.7	Low	119 Å²	119	88.6 Å²	88.6	59%	0.586	46%	0.46	S	S	*	.			trans	-70.7	104.5	172.3	-79.1	-156.7	-178.2	0	0	107.7	Y339 P476	Y339-M478 WeakPolarHBondContact CE1-O 3.41Å; P476-M478 PolarHBondContact O-N 2.89Å
479	T	64.2	Low	67	Low	109 Å²	109	86.8 Å²	86.8	67%	0.669	45%	0.45	S	S	*	.	B	Isolated β-bridge	trans	-77.1	133.9	168.6	48.6	0	0	0	0	109.5	L477 K481	L477-T479 PolarHBondContact O-N 3.26Å; T479-K481 PolarHBondContact O-N 3.42Å
480	L	73.9	Confident	68.8	Low	28 Å²	28	83.9 Å²	83.9	15%	0.147	44%	0.437	C	S	.	.	P	Polyproline II helix	trans	-62.2	134.4	173.1	-65.5	171	0	0	0	109.8	W332 I334 Y339 L363 A465	W332-L480 HydrophobicContact CE3-CD1 4.46Å; W332-L480 HydrophobicContact CH2-CB 3.5Å; W332-L480 HydrophobicContact CH2-CD1 4Å; W332-L480 HydrophobicContact CH2-CG 4.27Å; W332-L480 HydrophobicContact CZ2-CB 3.86Å; W332-L480 HydrophobicContact CZ2-CD1 4.28Å; W332-L480 HydrophobicContact CZ2-CD2 4.36Å; W332-L480 HydrophobicContact CZ2-CG 4.4Å; W332-L480 HydrophobicContact CZ3-CB 4.29Å; W332-L480 HydrophobicContact CZ3-CD1 4.08Å; I334-L480 HydrophobicContact CG2-CD1 3.97Å; I334-L480 HydrophobicContact CG2-CD2 4.1Å; Y339-L480 HydrophobicContact CD1-CD1 3.92Å; Y339-L480 HydrophobicContact CD1-CD2 4.18Å; Y339-L480 HydrophobicContact CD1-CG 3.83Å; Y339-L480 HydrophobicContact CE1-CD1 4.35Å; Y339-L480 HydrophobicContact CE1-CD2 3.84Å; Y339-L480 HydrophobicContact CE1-CG 3.74Å; Y339-L480 HydrophobicContact CG-CD1 4.41Å; L363-L480 HydrophobicContact CD1-CD1 3.47Å; L363-L480 VanDerWaalsContact CD1-CD1 3.47Å; A465-L480 HydrophobicContact CB-CD1 4.43Å
481	K	80.4	Confident	70.6	Confident	145 Å²	145	78.6 Å²	78.6	63%	0.63	43%	0.428	S	S	*	.	P	Polyproline II helix	trans	-74.9	137.7	172.3	-68.6	-175.4	-179.2	179.4	0	108.8	W332 T479	W332-K481 VanDerWaalsContact CH2-O 3.23Å; W332-K481 WeakPolarHBondContact CH2-O 3.26Å; W332-K481 VanDerWaalsContact CZ2-O 3.28Å; W332-K481 WeakPolarHBondContact CZ2-O 3.32Å; T479-K481 PolarHBondContact O-N 3.42Å
482	K	83.1	Confident	72.9	Confident	104 Å²	104	70.1 Å²	70.1	45%	0.452	40%	0.396	S	S	.	.	P	Polyproline II helix	trans	-54.1	128.7	175.5	-177.3	-176.8	174	-174.7	0	109.1	T463 L506	T463-K482 HydrophobicContact CG2-CB 4.27Å; T463-K482 HydrophobicContact CG2-CG 4.16Å; K482-L506 PolarHBondContact NZ-O 2.71Å
483	P	86.5	Confident	75.6	Confident	2 Å²	2	62.8 Å²	62.8	1%	0.013	36%	0.363	C	S	.	.	P	Polyproline II helix	trans	-58.9	138.8	174.9	-23.7	34	0	0	0	111.5	V320 W332 L459 V508	V320-P483 HydrophobicContact CB-CB 4.4Å; V320-P483 HydrophobicContact CB-CG 4.5Å; V320-P483 HydrophobicContact CG2-CB 3.64Å; V320-P483 HydrophobicContact CG2-CG 3.34Å; W332-P483 HydrophobicContact CD2-CG 4.06Å; W332-P483 HydrophobicContact CE3-CG 4.07Å; W332-P483 HydrophobicContact CH2-CG 3.74Å; W332-P483 HydrophobicContact CZ2-CG 3.73Å; W332-P483 HydrophobicContact CZ3-CG 3.92Å; L459-P483 HydrophobicContact CD1-CG 4Å; P483-V508 WeakPolarHBondContact O-CG1 3.39Å
484	T	87.4	Confident	78.1	Confident	107 Å²	107	62.7 Å²	62.7	66%	0.656	35%	0.354	S	S	*	.	S	Bend	trans	-95.1	-18.2	177	51	0	0	0	0	112.6	T509	T484-T509 PolarHBondContact O-N 3.21Å
485	E	91.7	Very high	80.6	Confident	49 Å²	49	55.2 Å²	55.2	23%	0.229	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	152.9	179	64.3	176.1	-148.6	0	0	112.3	T509 R511	E485-T509 CarbonylContact C-O 3.47Å; E485-T509 WeakPolarHBondContact CA-O 3.38Å; E485-R511 IonicContact OE2-CZ 3.27Å; E485-R511 IonicContact OE2-NE 3.57Å; E485-R511 PolarHBondContact OE2-NE 3.13Å; E485-R511 IonicContact OE2-NH2 3.29Å
486	I	94.6	Very high	83.1	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	126.3	173.8	-63.1	-175.9	0	0	0	108.8	V320 V322 L459 V488 L506 V508 T509 R511	V320-I486 HydrophobicContact CB-CG1 4.14Å; V320-I486 HydrophobicContact CG1-CD1 4.29Å; V320-I486 HydrophobicContact CG1-CG1 4.05Å; V320-I486 HydrophobicContact CG1-CG2 4.39Å; V320-I486 WeakPolarHBondContact O-CA 3.38Å; V322-I486 HydrophobicContact CB-CG2 4.13Å; V322-I486 HydrophobicContact CG2-CD1 4.5Å; V322-I486 HydrophobicContact CG2-CG2 3.57Å; L459-I486 HydrophobicContact CD2-CD1 4.05Å; I486-V488 HydrophobicContact CG2-CG1 4Å; I486-L506 HydrophobicContact CD1-CD2 3.58Å; I486-V508 HydrophobicContact CB-CG2 4.47Å; I486-V508 HydrophobicContact CD1-CG2 3.81Å; I486-V508 HydrophobicContact CG1-CG2 3.93Å; I486-T509 PolarHBondContact N-O 2.84Å; I486-R511 PolarHBondContact O-N 3.3Å
487	M	95.3	Very high	85.9	Confident	6 Å²	6	50.7 Å²	50.7	3%	0.03	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	133.4	169.6	-50	-46.2	-71.2	0	0	109.6	Q301 V320 K321 V322 R511 H513	Q301-M487 HydrophobicContact CB-CB 4.03Å; Q301-M487 HydrophobicContact CB-CG 4.44Å; Q301-M487 HydrophobicContact CG-CB 4.21Å; V320-M487 PolarHBondContact O-N 2.71Å; K321-M487 CarbonylContact C-O 3.5Å; K321-M487 WeakPolarHBondContact CA-O 3.35Å; K321-M487 HydrophobicContact CB-CB 4.34Å; V322-M487 PolarHBondContact N-O 3.14Å; M487-R511 CarbonylContact C-O 3.56Å; M487-R511 WeakPolarHBondContact CA-O 3.41Å; M487-R511 HydrophobicContact CE-CB 3.43Å; M487-R511 VanDerWaalsContact CE-CB 3.43Å; M487-R511 HydrophobicContact CE-CG 4.3Å; M487-R511 HydrophobicContact SD-CB 3.56Å; M487-R511 VanDerWaalsContact SD-CB 3.56Å; M487-R511 HydrophobicContact SD-CG 4.09Å; M487-H513 WeakPolarHBondContact CE-CE1 3.34Å; M487-H513 WeakPolarHBondContact CE-ND1 3.4Å
488	V	96.7	Very high	88.4	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	143.1	-176.3	-67	0	0	0	0	112	Q301 V322 Y324 I486 M499 L502 V510 R511 R512	Q301-V488 PolarHBondContact NE2-O 3.3Å; V322-V488 WeakPolarHBondContact O-CA 2.76Å; Y324-V488 HydrophobicContact CE2-CG1 4.19Å; I486-V488 HydrophobicContact CG2-CG1 4Å; V488-M499 HydrophobicContact CB-SD 3.97Å; V488-M499 HydrophobicContact CG1-SD 4.31Å; V488-M499 HydrophobicContact CG2-SD 3.4Å; V488-M499 WeakPolarHBondContact CG2-SD 3.35Å; V488-L502 HydrophobicContact CG1-CD2 3.85Å; V488-V510 HydrophobicContact CB-CG1 4.4Å; V488-V510 HydrophobicContact CG1-CG1 3.73Å; V488-V510 HydrophobicContact CG2-CG1 3.72Å; V488-R511 WeakPolarHBondContact CG2-O 3.48Å; V488-R511 PolarHBondContact N-O 2.93Å; V488-R512 HydrophobicContact CG2-CB 3.77Å; V488-R512 HydrophobicContact CG2-CG 4.3Å
489	D	96.4	Very high	90.6	Very high	3 Å²	3	39.7 Å²	39.7	2%	0.016	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	-178	175.3	56.7	59.6	0	0	0	113.3	S297 Q301 V322 T323 Y324 S516 M519	S297-D489 PolarHBondContact OG-OD1 2.96Å; S297-D489 PolarHBondContact OG-OD2 3.42Å; Q301-D489 WeakPolarHBondContact CG-OD2 3.1Å; Q301-D489 VanDerWaalsContact NE2-CB 3.29Å; Q301-D489 PolarHBondContact NE2-OD2 2.97Å; V322-D489 PolarHBondContact O-N 3.36Å; V322-D489 VanDerWaalsContact O-N 3.13Å; T323-D489 WeakPolarHBondContact CA-OD1 3.13Å; T323-D489 WeakPolarHBondContact CB-OD1 3.15Å; T323-D489 WeakPolarHBondContact CG2-OD1 3.23Å; T323-D489 PolarHBondContact OG1-OD1 3.49Å; Y324-D489 PolarHBondContact N-O 3.37Å; D489-S516 WeakPolarHBondContact CB-O 3.26Å; D489-M519 HydrophobicContact CB-CB 4.07Å; D489-M519 HydrophobicContact CB-CG 3.77Å
490	G	93.3	Very high	92.1	Very high	12 Å²	12	35.2 Å²	35.2	12%	0.124	19%	0.194	C	C	.	.	S	Bend	trans	88.4	166.2	-176.8	0	0	0	0	0	113.2	Y324 M492 S493 S516	Y324-G490 CarbonylContact O-C 3.48Å; Y324-G490 VanDerWaalsContact O-C 3.3Å; Y324-G490 WeakPolarHBondContact O-CA 3.43Å; G490-M492 VanDerWaalsContact C-N 3.33Å; G490-M492 PolarHBondContact O-N 2.85Å; G490-S493 VanDerWaalsContact O-CB 3.26Å; G490-S493 WeakPolarHBondContact O-CB 3.15Å; G490-S493 PolarHBondContact O-N 2.9Å; G490-S493 PolarHBondContact O-OG 2.85Å; G490-S516 PolarHBondContact N-O 3.22Å; G490-S516 VanDerWaalsContact N-O 3.11Å
491	G	91.5	Very high	93.3	Very high	49 Å²	49	33.9 Å²	33.9	51%	0.505	19%	0.187	S	C	.	.	G	3₁₀ helix	trans	-59.5	-37	-169.2	0	0	0	0	0	114.6	Y324 S493 N494	Y324-G491 PolarHBondContact O-N 2.93Å; G491-S493 PolarHBondContact O-N 3.31Å; G491-N494 WeakPolarHBondContact O-CB 3.42Å; G491-N494 PolarHBondContact O-N 3.31Å; G491-N494 PolarHBondContact O-ND2 2.87Å
492	M	94.3	Very high	94.1	Very high	28 Å²	28	27 Å²	27	14%	0.138	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	-73.6	-17.6	178.1	-58.5	177	65.7	0	0	112.9	Y324 A370 G371 M374 G490 N494 S495 L498	Y324-M492 PolarHBondContact O-N 3.29Å; A370-M492 HydrophobicContact CB-SD 3.84Å; G371-M492 WeakPolarHBondContact CA-SD 3.24Å; G371-M492 PolarHBondContact N-SD 3.43Å; M374-M492 HydrophobicContact CG-CE 3.64Å; M374-M492 HydrophobicContact CG-SD 4.46Å; G490-M492 VanDerWaalsContact C-N 3.33Å; G490-M492 PolarHBondContact O-N 2.85Å; M492-N494 PolarHBondContact O-N 2.88Å; M492-S495 WeakPolarHBondContact O-CB 3.42Å; M492-S495 PolarHBondContact O-N 3.43Å; M492-L498 HydrophobicContact CB-CD2 3.75Å; M492-L498 HydrophobicContact CE-CD2 3.99Å; M492-L498 WeakPolarHBondContact O-CD2 3.47Å
493	S	94.8	Very high	94.8	Very high	0 Å²	0	22 Å²	22	0%	0	14%	0.135	C	C	.	.	G	3₁₀ helix	trans	-60.8	-17.5	176.5	73.5	0	0	0	0	112.3	G490 G491 S495 M499 R512 S516	G490-S493 VanDerWaalsContact O-CB 3.26Å; G490-S493 WeakPolarHBondContact O-CB 3.15Å; G490-S493 PolarHBondContact O-N 2.9Å; G490-S493 PolarHBondContact O-OG 2.85Å; G491-S493 PolarHBondContact O-N 3.31Å; S493-S495 PolarHBondContact O-N 3.26Å; S493-M499 WeakPolarHBondContact O-CG 3.41Å; S493-R512 WeakPolarHBondContact O-CD 3.43Å; S493-R512 PolarHBondContact O-NH1 3.47Å; S493-S516 PolarHBondContact OG-OG 2.95Å
494	N	93.7	Very high	95.3	Very high	100 Å²	100	22 Å²	22	54%	0.535	14%	0.135	S	C	.	.	G	3₁₀ helix	trans	-66.3	-16.6	172.9	-67.8	-30.4	0	0	0	114.2	G491 M492 D496 R512	G491-N494 WeakPolarHBondContact O-CB 3.42Å; G491-N494 PolarHBondContact O-N 3.31Å; G491-N494 PolarHBondContact O-ND2 2.87Å; M492-N494 PolarHBondContact O-N 2.88Å; N494-D496 PolarHBondContact O-N 3.11Å; N494-R512 PolarHBondContact O-NH1 3.45Å
495	S	95.6	Very high	95.8	Very high	16 Å²	16	16.9 Å²	16.9	11%	0.112	10%	0.103	C	C	.	.			trans	-79.8	110.8	176.4	171.1	0	0	0	0	111.2	E391 L448 M492 S493 T497 L498 M499	E391-S495 WeakPolarHBondContact OE2-CA 3.49Å; E391-S495 VanDerWaalsContact OE2-CB 3.23Å; E391-S495 WeakPolarHBondContact OE2-CB 3.27Å; E391-S495 PolarHBondContact OE2-OG 3.47Å; L448-S495 WeakPolarHBondContact CD1-OG 3.23Å; M492-S495 WeakPolarHBondContact O-CB 3.42Å; M492-S495 PolarHBondContact O-N 3.43Å; S493-S495 PolarHBondContact O-N 3.26Å; S495-T497 VanDerWaalsContact C-N 3.27Å; S495-T497 PolarHBondContact O-N 3.29Å; S495-L498 WeakPolarHBondContact O-CB 3.44Å; S495-L498 PolarHBondContact O-N 2.85Å; S495-L498 VanDerWaalsContact O-N 3.15Å; S495-L498 PolarHBondContact OG-N 2.73Å; S495-L498 VanDerWaalsContact OG-N 3.09Å; S495-M499 WeakPolarHBondContact O-CG 3.4Å; S495-M499 PolarHBondContact O-N 2.97Å
496	D	96.1	Very high	96	Very high	68 Å²	68	14.6 Å²	14.6	36%	0.364	9%	0.093	S	C	.	.	H	α-helix	trans	-63.8	-35.1	175.6	-69.7	-9.1	0	0	0	111.5	N494 L498 M499 Q500 R512 F557	N494-D496 PolarHBondContact O-N 3.11Å; D496-L498 VanDerWaalsContact C-N 3.31Å; D496-L498 PolarHBondContact O-N 2.57Å; D496-M499 PolarHBondContact O-N 3.36Å; D496-Q500 VanDerWaalsContact O-CB 3.24Å; D496-Q500 WeakPolarHBondContact O-CB 3.46Å; D496-Q500 PolarHBondContact O-N 3.06Å; D496-R512 IonicContact OD1-CZ 2.71Å; D496-R512 VanDerWaalsContact OD1-CZ 3.24Å; D496-R512 IonicContact OD1-NH1 2.71Å; D496-R512 PolarHBondContact OD1-NH1 2.81Å; D496-R512 IonicContact OD1-NH2 2.64Å; D496-R512 PolarHBondContact OD1-NH2 2.62Å; D496-F557 HydrophobicContact CB-CE1 4.15Å; D496-F557 HydrophobicContact CB-CZ 4.48Å
497	T	97.2	Very high	96.1	Very high	8 Å²	8	18.7 Å²	18.7	5%	0.049	12%	0.115	C	C	.	.	H	α-helix	trans	-60.7	-39.8	173.6	-60.6	0	0	0	0	112	E391 A395 Y445 L448 S495 S501	E391-T497 WeakPolarHBondContact OE1-CB 3.43Å; E391-T497 PolarHBondContact OE1-N 3.26Å; E391-T497 PolarHBondContact OE1-OG1 3.44Å; A395-T497 WeakPolarHBondContact CA-OG1 3.47Å; A395-T497 WeakPolarHBondContact CB-OG1 3.39Å; A395-T497 PolarHBondContact N-OG1 2.82Å; Y445-T497 HydrophobicContact CD2-CG2 4.17Å; Y445-T497 HydrophobicContact CE2-CG2 3.9Å; L448-T497 HydrophobicContact CD2-CG2 4.32Å; S495-T497 VanDerWaalsContact C-N 3.27Å; S495-T497 PolarHBondContact O-N 3.29Å; T497-S501 WeakPolarHBondContact O-CB 3.47Å; T497-S501 PolarHBondContact O-N 2.76Å; T497-S501 PolarHBondContact O-OG 2.73Å
498	L	97.6	Very high	96	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-67.1	-47.9	174.7	-178.4	69.8	0	0	0	111.3	Y324 L448 V452 M492 S495 D496 Q500 S501 L502	Y324-L498 HydrophobicContact CD1-CD2 4.33Å; Y324-L498 HydrophobicContact CG-CD2 4.29Å; L448-L498 HydrophobicContact CD1-CB 4.22Å; L448-L498 HydrophobicContact CD2-CB 3.75Å; L448-L498 HydrophobicContact CD2-CD1 3.64Å; L448-L498 HydrophobicContact CD2-CG 4.31Å; L448-L498 HydrophobicContact CG-CB 3.99Å; L448-L498 HydrophobicContact CG-CD1 3.87Å; L448-L498 HydrophobicContact CG-CG 4.48Å; L448-L498 WeakPolarHBondContact O-CD1 3.3Å; V452-L498 HydrophobicContact CG2-CD1 3.55Å; M492-L498 HydrophobicContact CB-CD2 3.75Å; M492-L498 HydrophobicContact CE-CD2 3.99Å; M492-L498 WeakPolarHBondContact O-CD2 3.47Å; S495-L498 WeakPolarHBondContact O-CB 3.44Å; S495-L498 PolarHBondContact O-N 2.85Å; S495-L498 VanDerWaalsContact O-N 3.15Å; S495-L498 PolarHBondContact OG-N 2.73Å; S495-L498 VanDerWaalsContact OG-N 3.09Å; D496-L498 VanDerWaalsContact C-N 3.31Å; D496-L498 PolarHBondContact O-N 2.57Å; L498-Q500 PolarHBondContact O-N 2.8Å; L498-S501 WeakPolarHBondContact O-CB 3.46Å; L498-S501 PolarHBondContact O-N 2.78Å; L498-L502 WeakPolarHBondContact O-CB 3.02Å; L498-L502 PolarHBondContact O-N 2.86Å
499	M	97.6	Very high	96	Very high	0 Å²	0	20 Å²	20	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-63.3	-44	-178.3	-60.7	-54.4	86.2	0	0	111.7	Y324 V488 S493 S495 D496 L502 A503 V510 F557	Y324-M499 HydrophobicContact CD2-CE 4.37Å; Y324-M499 HydrophobicContact CE2-CE 4.39Å; V488-M499 HydrophobicContact CB-SD 3.97Å; V488-M499 HydrophobicContact CG1-SD 4.31Å; V488-M499 HydrophobicContact CG2-SD 3.4Å; V488-M499 WeakPolarHBondContact CG2-SD 3.35Å; S493-M499 WeakPolarHBondContact O-CG 3.41Å; S495-M499 WeakPolarHBondContact O-CG 3.4Å; S495-M499 PolarHBondContact O-N 2.97Å; D496-M499 PolarHBondContact O-N 3.36Å; M499-L502 WeakPolarHBondContact O-CB 3.27Å; M499-L502 PolarHBondContact O-N 3.1Å; M499-A503 PolarHBondContact O-N 2.94Å; M499-V510 HydrophobicContact CB-CG1 4.38Å; M499-V510 HydrophobicContact SD-CG1 4.17Å; M499-F557 HydrophobicContact CB-CD1 3.88Å; M499-F557 HydrophobicContact CB-CD2 3.61Å; M499-F557 HydrophobicContact CB-CE1 3.78Å; M499-F557 HydrophobicContact CB-CE2 3.51Å; M499-F557 HydrophobicContact CB-CG 3.8Å; M499-F557 HydrophobicContact CB-CZ 3.6Å; M499-F557 HydrophobicContact CG-CD2 4.36Å; M499-F557 HydrophobicContact CG-CE2 3.88Å; M499-F557 HydrophobicContact CG-CZ 4.04Å
500	Q	97.4	Very high	95.9	Very high	14 Å²	14	19.9 Å²	19.9	7%	0.065	12%	0.123	C	C	.	.	H	α-helix	trans	-63.8	-45.1	175.3	-176.1	60.7	68.3	0	0	111.3	Y398 D496 L498 L502 A503 D504 F557 Y558 K560	Y398-Q500 HydrophobicContact CE1-CG 4.21Å; Y398-Q500 HydrophobicContact CE2-CG 4.14Å; Y398-Q500 WeakPolarHBondContact OH-CG 3.29Å; D496-Q500 VanDerWaalsContact O-CB 3.24Å; D496-Q500 WeakPolarHBondContact O-CB 3.46Å; D496-Q500 PolarHBondContact O-N 3.06Å; L498-Q500 PolarHBondContact O-N 2.8Å; Q500-L502 PolarHBondContact O-N 3.02Å; Q500-A503 PolarHBondContact O-N 3.42Å; Q500-D504 PolarHBondContact NE2-OD1 3.02Å; Q500-D504 WeakPolarHBondContact O-CB 3.17Å; Q500-D504 PolarHBondContact O-N 3.39Å; Q500-F557 HydrophobicContact CB-CD1 4.16Å; Q500-Y558 PolarHBondContact NE2-O 3.33Å; Q500-K560 HydrophobicContact CG-CD 4.4Å
501	S	97.6	Very high	96	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-58.6	-37.6	175.3	-74.3	0	0	0	0	112.5	R449 V452 T497 L498 D504 I505	R449-S501 WeakPolarHBondContact CD-OG 3.34Å; R449-S501 VanDerWaalsContact NH1-CB 3.28Å; R449-S501 PolarHBondContact NH1-OG 3.48Å; V452-S501 WeakPolarHBondContact CG1-O 3.46Å; T497-S501 WeakPolarHBondContact O-CB 3.47Å; T497-S501 PolarHBondContact O-N 2.76Å; T497-S501 PolarHBondContact O-OG 2.73Å; L498-S501 WeakPolarHBondContact O-CB 3.46Å; L498-S501 PolarHBondContact O-N 2.78Å; S501-D504 PolarHBondContact O-N 3.09Å; S501-I505 WeakPolarHBondContact O-CG1 3.37Å; S501-I505 PolarHBondContact O-N 3.19Å
502	L	97.8	Very high	96.1	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-65	-49.4	177.7	-170.4	68.9	0	0	0	111.4	Y324 V452 T455 V488 L498 M499 Q500 D504 I505 L506 V510	Y324-L502 HydrophobicContact CE2-CD2 3.94Å; Y324-L502 WeakPolarHBondContact OH-CD1 3.36Å; Y324-L502 WeakPolarHBondContact OH-CD2 3.42Å; V452-L502 HydrophobicContact CB-CD1 4.47Å; V452-L502 HydrophobicContact CG1-CD1 4.24Å; V452-L502 HydrophobicContact CG2-CB 4.29Å; V452-L502 HydrophobicContact CG2-CD1 4.32Å; T455-L502 HydrophobicContact CG2-CD1 4.08Å; V488-L502 HydrophobicContact CG1-CD2 3.85Å; L498-L502 WeakPolarHBondContact O-CB 3.02Å; L498-L502 PolarHBondContact O-N 2.86Å; M499-L502 WeakPolarHBondContact O-CB 3.27Å; M499-L502 PolarHBondContact O-N 3.1Å; Q500-L502 PolarHBondContact O-N 3.02Å; L502-D504 VanDerWaalsContact C-N 3.26Å; L502-D504 PolarHBondContact O-N 3.32Å; L502-I505 PolarHBondContact O-N 3.04Å; L502-L506 HydrophobicContact CD1-CD1 3.64Å; L502-L506 HydrophobicContact CD1-CD2 3.7Å; L502-L506 HydrophobicContact CD1-CG 4.3Å; L502-L506 HydrophobicContact CG-CD1 4.41Å; L502-L506 HydrophobicContact CG-CD2 4.15Å; L502-L506 WeakPolarHBondContact O-CB 3.5Å; L502-L506 PolarHBondContact O-N 3.32Å; L502-V510 HydrophobicContact CB-CG2 4.11Å; L502-V510 HydrophobicContact CD2-CG1 4.16Å; L502-V510 HydrophobicContact CD2-CG2 3.86Å; L502-V510 HydrophobicContact CG-CG2 3.94Å
503	A	97.2	Very high	96	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-58.7	-41.4	175.2	0	0	0	0	0	111.4	M499 Q500 N507 V510 F557 S559	M499-A503 PolarHBondContact O-N 2.94Å; Q500-A503 PolarHBondContact O-N 3.42Å; A503-N507 WeakPolarHBondContact O-CA 3.38Å; A503-N507 PolarHBondContact O-N 2.88Å; A503-N507 VanDerWaalsContact O-N 3.12Å; A503-V510 HydrophobicContact CB-CB 4.36Å; A503-V510 HydrophobicContact CB-CG2 3.88Å; A503-F557 HydrophobicContact CB-CB 4.03Å; A503-S559 WeakPolarHBondContact O-CB 3.37Å; A503-S559 PolarHBondContact O-OG 3.4Å
504	D	97.3	Very high	95.8	Very high	1 Å²	1	24.3 Å²	24.3	1%	0.005	12%	0.123	C	C	.	.	H	α-helix	trans	-61.6	-45.5	178.1	-71.3	-13.6	0	0	0	112.6	Y398 Q500 S501 L502 S559 K560 I561 R566	Y398-D504 VanDerWaalsContact CE2-OD2 3.31Å; Y398-D504 WeakPolarHBondContact CE2-OD2 3.43Å; Y398-D504 PolarHBondContact OH-OD2 2.98Å; Q500-D504 PolarHBondContact NE2-OD1 3.02Å; Q500-D504 WeakPolarHBondContact O-CB 3.17Å; Q500-D504 PolarHBondContact O-N 3.39Å; S501-D504 PolarHBondContact O-N 3.09Å; L502-D504 VanDerWaalsContact C-N 3.26Å; L502-D504 PolarHBondContact O-N 3.32Å; D504-S559 PolarHBondContact O-OG 3.28Å; D504-S559 WeakPolarHBondContact OD1-CA 3.39Å; D504-K560 PolarHBondContact OD1-N 3.04Å; D504-I561 HydrophobicContact CB-CD1 3.88Å; D504-I561 HydrophobicContact CB-CG1 3.89Å; D504-I561 HydrophobicContact CB-CG2 4.3Å; D504-I561 WeakPolarHBondContact O-CD1 3.11Å; D504-I561 WeakPolarHBondContact O-CG1 3.42Å; D504-R566 PolarHBondContact O-NH1 3.24Å
505	I	97.6	Very high	95.6	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-87.1	-32.9	-174.3	-63.2	-66.3	0	0	0	113.1	R449 V452 Y453 Y456 S501 L502 I561 R566 K569 L570	R449-I505 VanDerWaalsContact NH2-CG1 3.34Å; V452-I505 HydrophobicContact CG1-CB 3.58Å; V452-I505 HydrophobicContact CG1-CG1 3.8Å; V452-I505 HydrophobicContact CG1-CG2 4.06Å; Y453-I505 HydrophobicContact CD1-CG2 4.12Å; Y453-I505 HydrophobicContact CE1-CD1 4.06Å; Y453-I505 HydrophobicContact CE1-CG1 4.32Å; Y453-I505 HydrophobicContact CE1-CG2 4.3Å; Y456-I505 HydrophobicContact CD2-CG2 4.03Å; Y456-I505 WeakPolarHBondContact CD2-O 2.97Å; Y456-I505 HydrophobicContact CG-CG2 4.16Å; S501-I505 WeakPolarHBondContact O-CG1 3.37Å; S501-I505 PolarHBondContact O-N 3.19Å; L502-I505 PolarHBondContact O-N 3.04Å; I505-I561 HydrophobicContact CD1-CD1 4.09Å; I505-R566 WeakPolarHBondContact O-CD 3.27Å; I505-K569 HydrophobicContact CD1-CB 4.14Å; I505-K569 HydrophobicContact CD1-CD 4.2Å; I505-L570 HydrophobicContact CG2-CD2 3.88Å; I505-L570 HydrophobicContact CG2-CG 4.44Å
506	L	96.5	Very high	95.4	Very high	1 Å²	1	22.6 Å²	22.6	1%	0.005	11%	0.111	C	C	.	.	H	α-helix	trans	-86.6	-17.8	-178	-79.8	61.1	0	0	0	113.1	V452 T455 L459 K482 I486 L502 V508	V452-L506 HydrophobicContact CG1-CD1 4.28Å; T455-L506 HydrophobicContact CG2-CD2 3.9Å; L459-L506 HydrophobicContact CD2-CB 4.31Å; L459-L506 HydrophobicContact CD2-CD2 3.84Å; L459-L506 HydrophobicContact CD2-CG 4.11Å; K482-L506 PolarHBondContact NZ-O 2.71Å; I486-L506 HydrophobicContact CD1-CD2 3.58Å; L502-L506 HydrophobicContact CD1-CD1 3.64Å; L502-L506 HydrophobicContact CD1-CD2 3.7Å; L502-L506 HydrophobicContact CD1-CG 4.3Å; L502-L506 HydrophobicContact CG-CD1 4.41Å; L502-L506 HydrophobicContact CG-CD2 4.15Å; L502-L506 WeakPolarHBondContact O-CB 3.5Å; L502-L506 PolarHBondContact O-N 3.32Å; L506-V508 HydrophobicContact CB-CG1 4.29Å; L506-V508 HydrophobicContact CB-CG2 3.68Å; L506-V508 HydrophobicContact CD2-CG2 4.39Å
507	N	95.8	Very high	95.1	Very high	87 Å²	87	22.5 Å²	22.5	47%	0.465	11%	0.11	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.9	49.6	-171.4	-152.9	44.2	0	0	0	112.6	A503 R566	A503-N507 WeakPolarHBondContact O-CA 3.38Å; A503-N507 PolarHBondContact O-N 2.88Å; A503-N507 VanDerWaalsContact O-N 3.12Å; N507-R566 VanDerWaalsContact CA-NH1 3.34Å; N507-R566 PolarHBondContact OD1-NH1 2.98Å; N507-R566 VanDerWaalsContact OD1-NH1 3.09Å; N507-R566 PolarHBondContact OD1-NH2 3.38Å; N507-R566 VanDerWaalsContact OD1-NH2 3.07Å
508	V	94.8	Very high	95	Very high	6 Å²	6	22.1 Å²	22.1	4%	0.036	11%	0.108	C	C	.	.	S	Bend	trans	-136.2	156.6	-178.7	-60.5	0	0	0	0	109.6	L459 P483 I486 L506 V510	L459-V508 HydrophobicContact CD2-CG1 4.38Å; P483-V508 WeakPolarHBondContact O-CG1 3.39Å; I486-V508 HydrophobicContact CB-CG2 4.47Å; I486-V508 HydrophobicContact CD1-CG2 3.81Å; I486-V508 HydrophobicContact CG1-CG2 3.93Å; L506-V508 HydrophobicContact CB-CG1 4.29Å; L506-V508 HydrophobicContact CB-CG2 3.68Å; L506-V508 HydrophobicContact CD2-CG2 4.39Å; V508-V510 HydrophobicContact CG2-CG2 4.16Å; V508-V510 PolarHBondContact O-N 2.81Å
509	T	94.9	Very high	95	Very high	28 Å²	28	22.1 Å²	22.1	17%	0.172	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	119.4	169.5	-55.1	0	0	0	0	108.5	T484 E485 I486 R511 T556 Y558	T484-T509 PolarHBondContact O-N 3.21Å; E485-T509 CarbonylContact C-O 3.47Å; E485-T509 WeakPolarHBondContact CA-O 3.38Å; I486-T509 PolarHBondContact N-O 2.84Å; T509-R511 HydrophobicContact CG2-CG 4.13Å; T509-T556 HydrophobicContact CG2-CG2 3.46Å; T509-T556 VanDerWaalsContact CG2-CG2 3.46Å; T509-Y558 HydrophobicContact CG2-CD1 4.13Å; T509-Y558 HydrophobicContact CG2-CE1 3.66Å
510	V	96.1	Very high	94.9	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	125.6	175.8	173.8	0	0	0	0	108.3	V488 M499 L502 A503 V508 T556 F557	V488-V510 HydrophobicContact CB-CG1 4.4Å; V488-V510 HydrophobicContact CG1-CG1 3.73Å; V488-V510 HydrophobicContact CG2-CG1 3.72Å; M499-V510 HydrophobicContact CB-CG1 4.38Å; M499-V510 HydrophobicContact SD-CG1 4.17Å; L502-V510 HydrophobicContact CB-CG2 4.11Å; L502-V510 HydrophobicContact CD2-CG1 4.16Å; L502-V510 HydrophobicContact CD2-CG2 3.86Å; L502-V510 HydrophobicContact CG-CG2 3.94Å; A503-V510 HydrophobicContact CB-CB 4.36Å; A503-V510 HydrophobicContact CB-CG2 3.88Å; V508-V510 HydrophobicContact CG2-CG2 4.16Å; V508-V510 PolarHBondContact O-N 2.81Å; V510-T556 CarbonylContact O-C 3.23Å; V510-T556 WeakPolarHBondContact O-CA 3.39Å; V510-F557 HydrophobicContact CB-CB 4.22Å; V510-F557 HydrophobicContact CG1-CD2 4.39Å; V510-F557 PolarHBondContact N-O 2.54Å; V510-F557 PolarHBondContact O-N 3.18Å
511	R	94.2	Very high	95	Very high	81 Å²	81	22.4 Å²	22.4	31%	0.306	11%	0.111	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	119.4	-178.3	-63	-174.9	178.6	-74.2	3.5	110.9	E485 I486 M487 V488 T509 S555 T556	E485-R511 IonicContact OE2-CZ 3.27Å; E485-R511 IonicContact OE2-NE 3.57Å; E485-R511 PolarHBondContact OE2-NE 3.13Å; E485-R511 IonicContact OE2-NH2 3.29Å; I486-R511 PolarHBondContact O-N 3.3Å; M487-R511 CarbonylContact C-O 3.56Å; M487-R511 WeakPolarHBondContact CA-O 3.41Å; M487-R511 HydrophobicContact CE-CB 3.43Å; M487-R511 VanDerWaalsContact CE-CB 3.43Å; M487-R511 HydrophobicContact CE-CG 4.3Å; M487-R511 HydrophobicContact SD-CB 3.56Å; M487-R511 VanDerWaalsContact SD-CB 3.56Å; M487-R511 HydrophobicContact SD-CG 4.09Å; V488-R511 WeakPolarHBondContact CG2-O 3.48Å; V488-R511 PolarHBondContact N-O 2.93Å; T509-R511 HydrophobicContact CG2-CG 4.13Å; R511-S555 CarbonylContact C-O 3.57Å; R511-S555 WeakPolarHBondContact CA-O 3.47Å; R511-T556 HydrophobicContact CG-CG2 4.39Å; R511-T556 PolarHBondContact NH1-OG1 3.5Å
512	R	94.6	Very high	95	Very high	22 Å²	22	22.4 Å²	22.4	8%	0.083	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	113.3	174.9	-175.1	171.8	64.3	-169.8	0.7	108.1	V488 S493 N494 D496 Y545 Q554 S555	V488-R512 HydrophobicContact CG2-CB 3.77Å; V488-R512 HydrophobicContact CG2-CG 4.3Å; S493-R512 WeakPolarHBondContact O-CD 3.43Å; S493-R512 PolarHBondContact O-NH1 3.47Å; N494-R512 PolarHBondContact O-NH1 3.45Å; D496-R512 IonicContact OD1-CZ 2.71Å; D496-R512 VanDerWaalsContact OD1-CZ 3.24Å; D496-R512 IonicContact OD1-NH1 2.71Å; D496-R512 PolarHBondContact OD1-NH1 2.81Å; D496-R512 IonicContact OD1-NH2 2.64Å; D496-R512 PolarHBondContact OD1-NH2 2.62Å; R512-Y545 WeakPolarHBondContact O-CE2 3.29Å; R512-Y545 PolarHBondContact O-OH 2.89Å; R512-Q554 PolarHBondContact NH2-O 3.38Å; R512-S555 PolarHBondContact N-O 3.37Å
513	H	91.3	Very high	95	Very high	34 Å²	34	22.4 Å²	22.4	16%	0.157	11%	0.111	C	C	.	.			trans	-71.9	161.3	172.8	-74.3	124.3	0	0	0	111.4	Q301 M487 M519 R543 Y545	Q301-H513 PolarHBondContact OE1-CE1 2.85Å; Q301-H513 PolarHBondContact OE1-ND1 3.43Å; M487-H513 WeakPolarHBondContact CE-CE1 3.34Å; M487-H513 WeakPolarHBondContact CE-ND1 3.4Å; H513-M519 HydrophobicContact CB-CE 3.81Å; H513-R543 HydrophobicContact CB-CB 4.07Å; H513-Y545 PolarHBondContact O-OH 3.48Å
514	N	90.7	Very high	95.1	Very high	44 Å²	44	22.4 Å²	22.4	24%	0.235	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	152.7	166.8	-169.7	22.6	0	0	0	110.4	S516 M519 R543 E544 Y545	N514-S516 PolarHBondContact O-N 3.42Å; N514-M519 WeakPolarHBondContact O-CE 3.42Å; N514-R543 WeakPolarHBondContact CB-O 3.49Å; N514-R543 PolarHBondContact N-O 2.94Å; N514-E544 WeakPolarHBondContact CB-O 3.49Å; N514-E544 PolarHBondContact ND2-O 2.98Å; N514-Y545 HydrophobicContact CB-CD1 3.98Å; N514-Y545 HydrophobicContact CB-CD2 4.22Å; N514-Y545 HydrophobicContact CB-CE1 3.93Å; N514-Y545 HydrophobicContact CB-CE2 4.16Å; N514-Y545 HydrophobicContact CB-CG 4.13Å
515	H	90.5	Very high	95.2	Very high	75 Å²	75	22.4 Å²	22.4	35%	0.347	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.3	41.4	-176	-65.6	-79.8	0	0	0	113.4	D517 V518 M519 I542	H515-D517 PolarHBondContact O-N 3.37Å; H515-V518 HydrophobicContact CB-CG2 3.92Å; H515-V518 WeakPolarHBondContact O-CG2 3.44Å; H515-V518 PolarHBondContact O-N 3.44Å; H515-V518 VanDerWaalsContact O-N 3.07Å; H515-M519 WeakPolarHBondContact O-CE 3.48Å; H515-I542 HydrophobicContact CB-CD1 4.07Å; H515-I542 HydrophobicContact CB-CG1 3.96Å; H515-I542 VanDerWaalsContact CD2-CG1 3.49Å; H515-I542 WeakPolarHBondContact CD2-CG1 3.43Å; H515-I542 PolarHBondContact CD2-O 3.18Å
516	S	90.2	Very high	95.2	Very high	5 Å²	5	22.4 Å²	22.4	4%	0.035	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-12	179.7	69.8	0	0	0	0	113.5	D489 G490 S493 N514	D489-S516 WeakPolarHBondContact CB-O 3.26Å; G490-S516 PolarHBondContact N-O 3.22Å; G490-S516 VanDerWaalsContact N-O 3.11Å; S493-S516 PolarHBondContact OG-OG 2.95Å; N514-S516 PolarHBondContact O-N 3.42Å
517	D	90.6	Very high	95.2	Very high	66 Å²	66	22.3 Å²	22.3	35%	0.353	11%	0.11	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82	-9.9	176.5	66	-56.1	0	0	0	114.6	R58 H515	R58-D517 PolarHBondContact NH1-O 3.48Å; H515-D517 PolarHBondContact O-N 3.37Å
518	V	94.8	Very high	95.4	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	9%	0.088	C	C	.	.	S	Bend	trans	-117.3	10.8	-177.5	-48.9	0	0	0	0	114.6	I60 F62 I69 H515 T520 A521 L522 I542	I60-V518 HydrophobicContact CD1-CB 3.68Å; I60-V518 HydrophobicContact CD1-CG1 3.63Å; F62-V518 HydrophobicContact CE1-CG2 4.33Å; F62-V518 HydrophobicContact CZ-CG2 4.4Å; I69-V518 HydrophobicContact CD1-CG1 4.2Å; H515-V518 HydrophobicContact CB-CG2 3.92Å; H515-V518 WeakPolarHBondContact O-CG2 3.44Å; H515-V518 PolarHBondContact O-N 3.44Å; H515-V518 VanDerWaalsContact O-N 3.07Å; V518-T520 VanDerWaalsContact C-N 3.31Å; V518-T520 PolarHBondContact O-N 2.81Å; V518-A521 PolarHBondContact O-N 3.41Å; V518-L522 PolarHBondContact O-N 3.21Å; V518-I542 HydrophobicContact CG2-CD1 3.98Å
519	M	96.4	Very high	95.5	Very high	1 Å²	1	17.9 Å²	17.9	1%	0.005	9%	0.086	C	C	.	.	H	α-helix	trans	-60.5	-36.3	-174.3	-67.8	-65.9	153	0	0	113.5	A300 D489 H513 N514 H515 L522 G523 R543	A300-M519 HydrophobicContact CB-CB 4.16Å; A300-M519 WeakPolarHBondContact CB-O 3.3Å; A300-M519 HydrophobicContact CB-SD 4.18Å; D489-M519 HydrophobicContact CB-CB 4.07Å; D489-M519 HydrophobicContact CB-CG 3.77Å; H513-M519 HydrophobicContact CB-CE 3.81Å; N514-M519 WeakPolarHBondContact O-CE 3.42Å; H515-M519 WeakPolarHBondContact O-CE 3.48Å; M519-L522 PolarHBondContact O-N 3.01Å; M519-L522 HydrophobicContact SD-CD2 4.14Å; M519-G523 PolarHBondContact O-N 2.94Å; M519-R543 HydrophobicContact CE-CG 4.2Å
520	T	97.5	Very high	95.5	Very high	20 Å²	20	18.5 Å²	18.5	12%	0.123	9%	0.089	C	C	.	.	H	α-helix	trans	-58.8	-54	174	43.6	0	0	0	0	111.3	D51 D293 A296 V518 L522 G523 A524	D51-T520 WeakPolarHBondContact OD2-CB 3.45Å; D51-T520 PolarHBondContact OD2-OG1 3.38Å; D293-T520 HydrophobicContact CB-CG2 4.18Å; D293-T520 WeakPolarHBondContact O-CG2 3.26Å; A296-T520 VanDerWaalsContact CB-O 3.25Å; A296-T520 WeakPolarHBondContact CB-O 3.33Å; V518-T520 VanDerWaalsContact C-N 3.31Å; V518-T520 PolarHBondContact O-N 2.81Å; T520-L522 VanDerWaalsContact C-N 3.33Å; T520-L522 PolarHBondContact O-N 2.93Å; T520-G523 PolarHBondContact O-N 3.49Å; T520-G523 VanDerWaalsContact O-N 3.13Å; T520-A524 PolarHBondContact O-N 2.67Å
521	A	98.3	Very high	95.5	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-62.2	-38.3	177.7	0	0	0	0	0	112.6	A49 D51 I60 F62 V518 G523 A524 A525	A49-A521 HydrophobicContact CB-CB 3.98Å; A49-A521 VanDerWaalsContact CB-O 3.22Å; A49-A521 WeakPolarHBondContact CB-O 3.23Å; D51-A521 HydrophobicContact CB-CB 4.27Å; I60-A521 HydrophobicContact CD1-CB 3.7Å; I60-A521 HydrophobicContact CG1-CB 4.28Å; F62-A521 HydrophobicContact CE2-CB 4.07Å; F62-A521 HydrophobicContact CZ-CB 4.12Å; V518-A521 PolarHBondContact O-N 3.41Å; A521-G523 VanDerWaalsContact C-N 3.28Å; A521-G523 PolarHBondContact O-N 3.19Å; A521-A524 PolarHBondContact O-N 3.39Å; A521-A525 PolarHBondContact O-N 2.84Å
522	L	98.2	Very high	95.6	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-60.4	-39.2	174.4	178.8	60.2	0	0	0	111.5	F62 A300 V518 M519 T520 A525 I526 L539 I542 R543	F62-L522 HydrophobicContact CZ-CB 4.39Å; A300-L522 HydrophobicContact CB-CB 3.97Å; A300-L522 HydrophobicContact CB-CD2 4.08Å; A300-L522 HydrophobicContact CB-CG 3.99Å; V518-L522 PolarHBondContact O-N 3.21Å; M519-L522 PolarHBondContact O-N 3.01Å; M519-L522 HydrophobicContact SD-CD2 4.14Å; T520-L522 VanDerWaalsContact C-N 3.33Å; T520-L522 PolarHBondContact O-N 2.93Å; L522-A525 WeakPolarHBondContact O-CB 3.47Å; L522-A525 PolarHBondContact O-N 3.38Å; L522-I526 HydrophobicContact CD1-CD1 4.44Å; L522-I526 HydrophobicContact CG-CD1 4.1Å; L522-I526 VanDerWaalsContact O-CG1 3.3Å; L522-I526 WeakPolarHBondContact O-CG1 3.3Å; L522-I526 PolarHBondContact O-N 2.8Å; L522-L539 HydrophobicContact CD1-CB 3.98Å; L522-I542 HydrophobicContact CD1-CG2 4.19Å; L522-I542 HydrophobicContact CD2-CG2 3.65Å; L522-R543 HydrophobicContact CD2-CG 4.28Å
523	G	98	Very high	95.6	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-62.8	-44.2	177.3	0	0	0	0	0	112.7	A296 M519 T520 A521 A525 I526 T527	A296-G523 VanDerWaalsContact O-CA 3.26Å; A296-G523 WeakPolarHBondContact O-CA 3.32Å; M519-G523 PolarHBondContact O-N 2.94Å; T520-G523 PolarHBondContact O-N 3.49Å; T520-G523 VanDerWaalsContact O-N 3.13Å; A521-G523 VanDerWaalsContact C-N 3.28Å; A521-G523 PolarHBondContact O-N 3.19Å; G523-A525 VanDerWaalsContact C-N 3.31Å; G523-A525 PolarHBondContact O-N 3.34Å; G523-I526 PolarHBondContact O-N 3.43Å; G523-T527 PolarHBondContact O-N 3.02Å
524	A	98.7	Very high	95.8	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-64.5	-34.1	173.1	0	0	0	0	0	112.4	A49 T125 T520 A521 T527 V528	A49-A524 HydrophobicContact CB-CB 4.35Å; T125-A524 HydrophobicContact CG2-CB 4.1Å; T520-A524 PolarHBondContact O-N 2.67Å; A521-A524 PolarHBondContact O-N 3.39Å; A524-T527 PolarHBondContact O-OG1 3.36Å; A524-V528 PolarHBondContact O-N 3.05Å
525	A	98.7	Very high	95.9	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-68.4	-38.1	174.3	0	0	0	0	0	112.2	I47 A49 F62 A521 L522 G523 T527 V528 A529 L539	I47-A525 HydrophobicContact CB-CB 4.43Å; I47-A525 HydrophobicContact CG2-CB 3.75Å; A49-A525 HydrophobicContact CB-CB 4.44Å; F62-A525 HydrophobicContact CD2-CB 3.74Å; F62-A525 HydrophobicContact CE2-CB 4.12Å; A521-A525 PolarHBondContact O-N 2.84Å; L522-A525 WeakPolarHBondContact O-CB 3.47Å; L522-A525 PolarHBondContact O-N 3.38Å; G523-A525 VanDerWaalsContact C-N 3.31Å; G523-A525 PolarHBondContact O-N 3.34Å; A525-T527 VanDerWaalsContact C-N 3.32Å; A525-T527 PolarHBondContact O-N 3.21Å; A525-V528 WeakPolarHBondContact O-CB 3.46Å; A525-V528 PolarHBondContact O-N 2.67Å; A525-A529 PolarHBondContact O-N 3.12Å; A525-A529 VanDerWaalsContact O-N 3.1Å; A525-L539 HydrophobicContact CB-CD1 4.31Å
526	I	97.8	Very high	96	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-61.6	-39.7	176.6	-70.5	162.4	0	0	0	111	V299 W303 L522 G523 V528 A529 L530 P536 L539 L540	V299-I526 HydrophobicContact CG1-CB 4.03Å; V299-I526 HydrophobicContact CG1-CD1 4.16Å; V299-I526 HydrophobicContact CG1-CG2 3.71Å; W303-I526 HydrophobicContact CB-CD1 4.24Å; W303-I526 HydrophobicContact CD2-CG2 4.04Å; W303-I526 HydrophobicContact CG-CG2 4.04Å; L522-I526 HydrophobicContact CD1-CD1 4.44Å; L522-I526 HydrophobicContact CG-CD1 4.1Å; L522-I526 VanDerWaalsContact O-CG1 3.3Å; L522-I526 WeakPolarHBondContact O-CG1 3.3Å; L522-I526 PolarHBondContact O-N 2.8Å; G523-I526 PolarHBondContact O-N 3.43Å; I526-V528 VanDerWaalsContact C-N 3.3Å; I526-V528 PolarHBondContact O-N 3.36Å; I526-A529 PolarHBondContact O-N 3.01Å; I526-L530 HydrophobicContact CG2-CD1 3.87Å; I526-L530 HydrophobicContact CG2-CG 4.29Å; I526-L530 VanDerWaalsContact O-CG 3.29Å; I526-L530 WeakPolarHBondContact O-CG 3.36Å; I526-L530 PolarHBondContact O-N 3.1Å; I526-P536 HydrophobicContact CG1-CB 4.22Å; I526-P536 HydrophobicContact CG2-CB 4.12Å; I526-P536 HydrophobicContact CG2-CG 4.44Å; I526-L539 HydrophobicContact CG1-CD1 4.24Å; I526-L540 HydrophobicContact CD1-CD2 3.58Å; I526-L540 HydrophobicContact CG1-CD2 4.09Å
527	T	97.8	Very high	96.1	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-65.5	-32.8	177.6	54.5	0	0	0	0	113	S268 S269 G289 L291 M353 G523 A524 A525 A531	S268-T527 WeakPolarHBondContact O-CB 3.33Å; S269-T527 PolarHBondContact OG-O 2.92Å; G289-T527 WeakPolarHBondContact CA-OG1 3.07Å; L291-T527 HydrophobicContact CD1-CG2 3.43Å; L291-T527 VanDerWaalsContact CD1-CG2 3.43Å; L291-T527 HydrophobicContact CD2-CG2 4.47Å; L291-T527 HydrophobicContact CG-CG2 3.81Å; M353-T527 HydrophobicContact CE-CG2 3.99Å; M353-T527 HydrophobicContact SD-CG2 4Å; G523-T527 PolarHBondContact O-N 3.02Å; A524-T527 PolarHBondContact O-OG1 3.36Å; A525-T527 VanDerWaalsContact C-N 3.32Å; A525-T527 PolarHBondContact O-N 3.21Å; T527-A531 WeakPolarHBondContact O-CB 3.18Å; T527-A531 PolarHBondContact O-N 3.31Å
528	V	98.5	Very high	96.3	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-65.7	-46.3	172.1	177.4	0	0	0	0	111.1	I47 V122 G123 Y288 A524 A525 I526 L530 A531 L532	I47-V528 HydrophobicContact CD1-CB 4.1Å; I47-V528 HydrophobicContact CD1-CG1 3.97Å; I47-V528 HydrophobicContact CG1-CB 4.37Å; I47-V528 HydrophobicContact CG1-CG1 3.89Å; I47-V528 HydrophobicContact CG2-CB 3.77Å; I47-V528 HydrophobicContact CG2-CG1 3.92Å; I47-V528 HydrophobicContact CG2-CG2 3.93Å; V122-V528 WeakPolarHBondContact O-CG2 3.3Å; G123-V528 VanDerWaalsContact CA-CG2 3.45Å; Y288-V528 HydrophobicContact CD2-CG1 4.3Å; A524-V528 PolarHBondContact O-N 3.05Å; A525-V528 WeakPolarHBondContact O-CB 3.46Å; A525-V528 PolarHBondContact O-N 2.67Å; I526-V528 VanDerWaalsContact C-N 3.3Å; I526-V528 PolarHBondContact O-N 3.36Å; V528-L530 VanDerWaalsContact C-N 3.3Å; V528-L530 PolarHBondContact O-N 3.28Å; V528-A531 PolarHBondContact O-N 2.94Å; V528-L532 HydrophobicContact CG1-CD1 4Å; V528-L532 PolarHBondContact O-N 3.16Å
529	A	97.2	Very high	96.4	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-57.4	-46.2	178.4	0	0	0	0	0	110.9	I47 A525 I526 A531 L532 D533 I534 P536 L539	I47-A529 HydrophobicContact CD1-CB 3.94Å; A525-A529 PolarHBondContact O-N 3.12Å; A525-A529 VanDerWaalsContact O-N 3.1Å; I526-A529 PolarHBondContact O-N 3.01Å; A529-A531 PolarHBondContact O-N 3.42Å; A529-L532 CarbonylContact O-C 3.6Å; A529-L532 PolarHBondContact O-N 3.32Å; A529-D533 PolarHBondContact O-N 3.29Å; A529-I534 CarbonylContact C-O 3.59Å; A529-I534 HydrophobicContact CB-CB 4.16Å; A529-I534 HydrophobicContact CB-CG2 4.34Å; A529-I534 WeakPolarHBondContact O-CB 3.45Å; A529-I534 PolarHBondContact O-N 2.95Å; A529-P536 HydrophobicContact CB-CB 4.26Å; A529-L539 HydrophobicContact CB-CD1 4.06Å
530	L	95.5	Very high	96.3	Very high	41 Å²	41	23.7 Å²	23.7	22%	0.215	14%	0.136	C	C	.	.	H	α-helix	trans	-65.6	-39	179	-64.5	171	0	0	0	113.3	W303 M353 I526 V528 L532 D533 P536	W303-L530 HydrophobicContact CH2-CD1 3.38Å; W303-L530 HydrophobicContact CH2-CD2 4.3Å; W303-L530 HydrophobicContact CH2-CG 4.48Å; W303-L530 HydrophobicContact CZ2-CD1 3.33Å; W303-L530 HydrophobicContact CZ2-CD2 3.52Å; W303-L530 HydrophobicContact CZ2-CG 4.03Å; W303-L530 HydrophobicContact CZ3-CD1 4.03Å; M353-L530 HydrophobicContact CE-CD1 3.82Å; M353-L530 HydrophobicContact CG-CD1 4.04Å; M353-L530 HydrophobicContact SD-CD1 3.84Å; I526-L530 HydrophobicContact CG2-CD1 3.87Å; I526-L530 HydrophobicContact CG2-CG 4.29Å; I526-L530 VanDerWaalsContact O-CG 3.29Å; I526-L530 WeakPolarHBondContact O-CG 3.36Å; I526-L530 PolarHBondContact O-N 3.1Å; V528-L530 VanDerWaalsContact C-N 3.3Å; V528-L530 PolarHBondContact O-N 3.28Å; L530-L532 PolarHBondContact O-N 3.5Å; L530-D533 PolarHBondContact O-N 2.91Å; L530-D533 VanDerWaalsContact O-N 3.17Å; L530-P536 HydrophobicContact CD2-CG 4.15Å
531	A	96.8	Very high	96.1	Very high	22 Å²	22	27.6 Å²	27.6	18%	0.182	15%	0.151	C	C	.	.	H	α-helix	trans	-64.3	-27.3	177.5	0	0	0	0	0	112.5	S269 Y288 T527 V528 A529	S269-A531 WeakPolarHBondContact OG-CB 3.35Å; S269-A531 PolarHBondContact OG-N 3.44Å; S269-A531 VanDerWaalsContact OG-N 3.12Å; Y288-A531 HydrophobicContact CD1-CB 4.04Å; Y288-A531 HydrophobicContact CG-CB 4.26Å; T527-A531 WeakPolarHBondContact O-CB 3.18Å; T527-A531 PolarHBondContact O-N 3.31Å; V528-A531 PolarHBondContact O-N 2.94Å; A529-A531 PolarHBondContact O-N 3.42Å
532	L	96.5	Very high	95.8	Very high	40 Å²	40	28.1 Å²	28.1	21%	0.209	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.7	8.8	179.2	-68	175.2	0	0	0	113.4	V120 Y288 V528 A529 L530 I534	V120-L532 HydrophobicContact CB-CD1 3.83Å; V120-L532 HydrophobicContact CG2-CD1 3.53Å; Y288-L532 HydrophobicContact CD1-CD2 4.49Å; Y288-L532 HydrophobicContact CD2-CD1 4.26Å; Y288-L532 HydrophobicContact CD2-CD2 4.29Å; Y288-L532 HydrophobicContact CD2-CG 4.28Å; Y288-L532 HydrophobicContact CE1-CD2 4Å; Y288-L532 HydrophobicContact CE2-CD1 4.2Å; Y288-L532 HydrophobicContact CE2-CD2 3.74Å; Y288-L532 HydrophobicContact CE2-CG 4.2Å; V528-L532 HydrophobicContact CG1-CD1 4Å; V528-L532 PolarHBondContact O-N 3.16Å; A529-L532 CarbonylContact O-C 3.6Å; A529-L532 PolarHBondContact O-N 3.32Å; L530-L532 PolarHBondContact O-N 3.5Å; L532-I534 HydrophobicContact CB-CD1 3.78Å; L532-I534 HydrophobicContact CB-CG1 3.92Å; L532-I534 HydrophobicContact CD1-CD1 4.11Å; L532-I534 PolarHBondContact O-N 3.48Å
533	D	94.4	Very high	95.5	Very high	127 Å²	127	28.9 Å²	28.9	68%	0.679	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	58	30.5	-177.6	-58.4	-60	0	0	0	112.8	K35 A529 L530	K35-D533 IonicContact NZ-OD2 3.59Å; K35-D533 PolarHBondContact NZ-OD2 3.15Å; A529-D533 PolarHBondContact O-N 3.29Å; L530-D533 PolarHBondContact O-N 2.91Å; L530-D533 VanDerWaalsContact O-N 3.17Å
534	I	94.7	Very high	95.1	Very high	28 Å²	28	35 Å²	35	14%	0.144	19%	0.185	C	C	.	.			trans	-95.6	133.1	177	-60.5	171.4	0	0	0	109.7	V38 I64 V120 A529 L532 P536	V38-I534 HydrophobicContact CG2-CD1 4.04Å; V38-I534 HydrophobicContact CG2-CG1 4.42Å; I64-I534 HydrophobicContact CD1-CD1 4.06Å; I64-I534 HydrophobicContact CG2-CG2 3.57Å; V120-I534 HydrophobicContact CG2-CD1 4.26Å; A529-I534 CarbonylContact C-O 3.59Å; A529-I534 HydrophobicContact CB-CB 4.16Å; A529-I534 HydrophobicContact CB-CG2 4.34Å; A529-I534 WeakPolarHBondContact O-CB 3.45Å; A529-I534 PolarHBondContact O-N 2.95Å; L532-I534 HydrophobicContact CB-CD1 3.78Å; L532-I534 HydrophobicContact CB-CG1 3.92Å; L532-I534 HydrophobicContact CD1-CD1 4.11Å; L532-I534 PolarHBondContact O-N 3.48Å; I534-P536 VanDerWaalsContact O-CD 3.29Å; I534-P536 WeakPolarHBondContact O-CD 3.49Å
535	D	93	Very high	94.4	Very high	109 Å²	109	37.7 Å²	37.7	58%	0.583	20%	0.196	S	C	*	.			trans	-65.4	116.9	174.6	-178.9	-1	0	0	0	111.2	T537	D535-T537 PolarHBondContact O-N 3.16Å; D535-T537 VanDerWaalsContact OD1-CB 3.27Å; D535-T537 WeakPolarHBondContact OD1-CB 3.43Å; D535-T537 PolarHBondContact OD1-N 3.24Å; D535-T537 PolarHBondContact OD1-OG1 3.42Å; D535-T537 PolarHBondContact OD2-OG1 3.19Å
536	P	93.4	Very high	93.2	Very high	7 Å²	7	41.2 Å²	41.2	5%	0.045	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-4.2	-178.3	30.3	-34.3	0	0	0	113.9	I526 A529 L530 I534 G538 L539 L540	I526-P536 HydrophobicContact CG1-CB 4.22Å; I526-P536 HydrophobicContact CG2-CB 4.12Å; I526-P536 HydrophobicContact CG2-CG 4.44Å; A529-P536 HydrophobicContact CB-CB 4.26Å; L530-P536 HydrophobicContact CD2-CG 4.15Å; I534-P536 VanDerWaalsContact O-CD 3.29Å; I534-P536 WeakPolarHBondContact O-CD 3.49Å; P536-G538 PolarHBondContact O-N 3.39Å; P536-G538 VanDerWaalsContact O-N 3.14Å; P536-L539 HydrophobicContact CB-CD1 4.42Å; P536-L539 WeakPolarHBondContact O-CA 3.41Å; P536-L539 VanDerWaalsContact O-CB 3.31Å; P536-L539 WeakPolarHBondContact O-CB 3.23Å; P536-L539 PolarHBondContact O-N 3.34Å; P536-L540 WeakPolarHBondContact O-CG 3.4Å; P536-L540 PolarHBondContact O-N 3.38Å
537	T	92.2	Very high	91.6	Very high	74 Å²	74	46 Å²	46	45%	0.454	25%	0.254	S	S	.	.	H	α-helix	trans	-52.3	-37.7	-177.8	-61.1	0	0	0	0	112.9	D535 L539 L540	D535-T537 PolarHBondContact O-N 3.16Å; D535-T537 VanDerWaalsContact OD1-CB 3.27Å; D535-T537 WeakPolarHBondContact OD1-CB 3.43Å; D535-T537 PolarHBondContact OD1-N 3.24Å; D535-T537 PolarHBondContact OD1-OG1 3.42Å; D535-T537 PolarHBondContact OD2-OG1 3.19Å; T537-L539 PolarHBondContact O-N 3.25Å; T537-L540 PolarHBondContact O-N 2.91Å
538	G	94.4	Very high	89.7	Confident	12 Å²	12	56.6 Å²	56.6	12%	0.124	30%	0.295	C	S	.	.	H	α-helix	trans	-61.2	-40.7	175.7	0	0	0	0	0	113.2	I64 N65 N66 G67 P536 L540 K541	I64-G538 CarbonylContact O-C 3.56Å; I64-G538 WeakPolarHBondContact O-CA 3.47Å; N65-G538 WeakPolarHBondContact O-CA 3.43Å; N66-G538 CarbonylContact C-O 3.54Å; N66-G538 VanDerWaalsContact CA-O 3.27Å; N66-G538 WeakPolarHBondContact CA-O 3.37Å; G67-G538 PolarHBondContact N-O 2.81Å; P536-G538 PolarHBondContact O-N 3.39Å; P536-G538 VanDerWaalsContact O-N 3.14Å; G538-L540 VanDerWaalsContact C-N 3.27Å; G538-L540 PolarHBondContact O-N 3.06Å; G538-K541 PolarHBondContact O-N 3.33Å
539	L	96.3	Very high	87.5	Confident	0 Å²	0	62.2 Å²	62.2	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-62.8	-34	175.4	-66.2	168.9	0	0	0	112	I47 F62 I64 L522 A525 I526 A529 P536 T537 K541 I542	I47-L539 HydrophobicContact CD1-CD1 4.26Å; F62-L539 HydrophobicContact CB-CD2 3.74Å; I64-L539 PolarHBondContact O-N 3Å; L522-L539 HydrophobicContact CD1-CB 3.98Å; A525-L539 HydrophobicContact CB-CD1 4.31Å; I526-L539 HydrophobicContact CG1-CD1 4.24Å; A529-L539 HydrophobicContact CB-CD1 4.06Å; P536-L539 HydrophobicContact CB-CD1 4.42Å; P536-L539 WeakPolarHBondContact O-CA 3.41Å; P536-L539 VanDerWaalsContact O-CB 3.31Å; P536-L539 WeakPolarHBondContact O-CB 3.23Å; P536-L539 PolarHBondContact O-N 3.34Å; T537-L539 PolarHBondContact O-N 3.25Å; L539-K541 PolarHBondContact O-N 2.97Å; L539-I542 VanDerWaalsContact O-CG2 3.27Å; L539-I542 WeakPolarHBondContact O-CG2 3.39Å; L539-I542 PolarHBondContact O-N 3.26Å
540	L	94.4	Very high	85.1	Confident	17 Å²	17	67.4 Å²	67.4	9%	0.089	36%	0.356	C	S	.	.	H	α-helix	trans	-70.9	-18.1	-173.6	-48.6	-170.1	0	0	0	113.5	W303 I526 P536 T537 G538 I542 R543	W303-L540 WeakPolarHBondContact O-CD1 3.37Å; I526-L540 HydrophobicContact CD1-CD2 3.58Å; I526-L540 HydrophobicContact CG1-CD2 4.09Å; P536-L540 WeakPolarHBondContact O-CG 3.4Å; P536-L540 PolarHBondContact O-N 3.38Å; T537-L540 PolarHBondContact O-N 2.91Å; G538-L540 VanDerWaalsContact C-N 3.27Å; G538-L540 PolarHBondContact O-N 3.06Å; L540-I542 PolarHBondContact O-N 2.88Å; L540-I542 VanDerWaalsContact O-N 3.14Å; L540-R543 VanDerWaalsContact O-CB 3.29Å; L540-R543 WeakPolarHBondContact O-CB 3.39Å; L540-R543 VanDerWaalsContact O-CG 3.25Å; L540-R543 WeakPolarHBondContact O-CG 3.32Å; L540-R543 PolarHBondContact O-N 3.48Å
541	K	93.7	Very high	82.8	Confident	102 Å²	102	69 Å²	69	44%	0.443	37%	0.365	S	S	.	.	G	3₁₀ helix	trans	-59.7	-23.4	178.4	-66.5	-176.1	-175.3	165.8	0	113.2	G538 L539 R543 E544	G538-K541 PolarHBondContact O-N 3.33Å; L539-K541 PolarHBondContact O-N 2.97Å; K541-R543 PolarHBondContact O-N 3.4Å; K541-R543 VanDerWaalsContact O-N 3.13Å; K541-E544 WeakPolarHBondContact O-CB 3.41Å; K541-E544 PolarHBondContact O-N 3.09Å
542	I	92.6	Very high	80.7	Confident	12 Å²	12	72.5 Å²	72.5	6%	0.062	38%	0.38	C	S	.	.	G	3₁₀ helix	trans	-59.5	-23.7	174.5	-164.5	175.7	0	0	0	112.8	F62 G67 I69 H515 V518 L522 L539 L540 E544	F62-I542 HydrophobicContact CD1-CD1 4.37Å; F62-I542 HydrophobicContact CE1-CD1 3.92Å; G67-I542 WeakPolarHBondContact O-CD1 3.28Å; I69-I542 HydrophobicContact CD1-CD1 4.05Å; I69-I542 HydrophobicContact CG1-CD1 3.89Å; H515-I542 HydrophobicContact CB-CD1 4.07Å; H515-I542 HydrophobicContact CB-CG1 3.96Å; H515-I542 VanDerWaalsContact CD2-CG1 3.49Å; H515-I542 WeakPolarHBondContact CD2-CG1 3.43Å; H515-I542 PolarHBondContact CD2-O 3.18Å; V518-I542 HydrophobicContact CG2-CD1 3.98Å; L522-I542 HydrophobicContact CD1-CG2 4.19Å; L522-I542 HydrophobicContact CD2-CG2 3.65Å; L539-I542 VanDerWaalsContact O-CG2 3.27Å; L539-I542 WeakPolarHBondContact O-CG2 3.39Å; L539-I542 PolarHBondContact O-N 3.26Å; L540-I542 PolarHBondContact O-N 2.88Å; L540-I542 VanDerWaalsContact O-N 3.14Å; I542-E544 VanDerWaalsContact C-N 3.27Å; I542-E544 PolarHBondContact O-N 3.34Å
543	R	91.7	Very high	78.6	Confident	16 Å²	16	80.5 Å²	80.5	6%	0.06	41%	0.409	C	S	.	.	G	3₁₀ helix	trans	-73.2	-19.9	178.2	-57.2	177.3	-160.2	164.2	-3.5	113.2	A300 W303 H513 N514 M519 L522 L540 K541	A300-R543 PolarHBondContact O-NE 3.37Å; A300-R543 PolarHBondContact O-NH2 3.09Å; W303-R543 PolarHBondContact O-NH1 3.06Å; W303-R543 PolarHBondContact O-NH2 3.42Å; H513-R543 HydrophobicContact CB-CB 4.07Å; N514-R543 WeakPolarHBondContact CB-O 3.49Å; N514-R543 PolarHBondContact N-O 2.94Å; M519-R543 HydrophobicContact CE-CG 4.2Å; L522-R543 HydrophobicContact CD2-CG 4.28Å; L540-R543 VanDerWaalsContact O-CB 3.29Å; L540-R543 WeakPolarHBondContact O-CB 3.39Å; L540-R543 VanDerWaalsContact O-CG 3.25Å; L540-R543 WeakPolarHBondContact O-CG 3.32Å; L540-R543 PolarHBondContact O-N 3.48Å; K541-R543 PolarHBondContact O-N 3.4Å; K541-R543 VanDerWaalsContact O-N 3.13Å
544	E	89.2	Confident	77.4	Confident	128 Å²	128	79.6 Å²	79.6	60%	0.598	40%	0.401	S	S	*	.	S	Bend	trans	-76.4	141	-175.6	-61.2	173.1	-169	0	0	110.4	N514 K541 I542	N514-E544 WeakPolarHBondContact CB-O 3.49Å; N514-E544 PolarHBondContact ND2-O 2.98Å; K541-E544 WeakPolarHBondContact O-CB 3.41Å; K541-E544 PolarHBondContact O-N 3.09Å; I542-E544 VanDerWaalsContact C-N 3.27Å; I542-E544 PolarHBondContact O-N 3.34Å
545	Y	84	Confident	77.1	Confident	57 Å²	57	79 Å²	79	22%	0.224	40%	0.4	C	S	.	.	P	Polyproline II helix	trans	-82.2	149.2	168.2	-71.6	-84.9	0	0	0	109.3	R512 H513 N514 S547 D551	R512-Y545 WeakPolarHBondContact O-CE2 3.29Å; R512-Y545 PolarHBondContact O-OH 2.89Å; H513-Y545 PolarHBondContact O-OH 3.48Å; N514-Y545 HydrophobicContact CB-CD1 3.98Å; N514-Y545 HydrophobicContact CB-CD2 4.22Å; N514-Y545 HydrophobicContact CB-CE1 3.93Å; N514-Y545 HydrophobicContact CB-CE2 4.16Å; N514-Y545 HydrophobicContact CB-CG 4.13Å; Y545-S547 PolarHBondContact O-N 3.18Å; Y545-D551 WeakPolarHBondContact CB-OD1 3.48Å
546	S	73.2	Confident	77.1	Confident	73 Å²	73	74.5 Å²	74.5	51%	0.51	38%	0.376	S	S	.	.	P	Polyproline II helix	trans	-69.5	128.9	173.9	54.7	0	0	0	0	109.9	Y548 K549	S546-Y548 PolarHBondContact O-N 3.19Å; S546-K549 PolarHBondContact O-N 2.87Å
547	S	65.1	Low	77.2	Confident	102 Å²	102	74.8 Å²	74.8	71%	0.713	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52	-11.2	-177.8	50.2	0	0	0	0	116.5	Y545	Y545-S547 PolarHBondContact O-N 3.18Å
548	Y	56.9	Low	77.4	Confident	221 Å²	221	76.7 Å²	76.7	87%	0.867	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.7	-15.4	175	-73.5	-79.8	0	0	0	114.2	S546	S546-Y548 PolarHBondContact O-N 3.19Å
549	K	52.4	Low	77.5	Confident	118 Å²	118	77.9 Å²	77.9	51%	0.513	38%	0.383	S	S	.	.	S	Bend	trans	-92.4	131.6	169.6	-69.6	-176.9	177.3	-178.7	0	107.1	S546 D551	S546-K549 PolarHBondContact O-N 2.87Å; K549-D551 VanDerWaalsContact C-N 3.33Å; K549-D551 WeakPolarHBondContact O-CA 3.39Å; K549-D551 VanDerWaalsContact O-CG 3.25Å; K549-D551 PolarHBondContact O-N 2.71Å; K549-D551 VanDerWaalsContact O-OD1 3.13Å
550	S	47.2	Very low	77.5	Confident	109 Å²	109	84.8 Å²	84.8	76%	0.762	41%	0.413	S	S	*	.			trans	-59.2	96.7	172.8	38.7	0	0	0	0	109.6	D552	S550-D552 VanDerWaalsContact C-N 3.29Å; S550-D552 PolarHBondContact O-N 3.45Å; S550-D552 VanDerWaalsContact O-N 3.08Å
551	D	46.3	Very low	77.5	Confident	74 Å²	74	85.7 Å²	85.7	40%	0.396	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-15.2	-152.3	-81.5	-41.3	0	0	0	116.6	Y545 K549 S555	Y545-D551 WeakPolarHBondContact CB-OD1 3.48Å; K549-D551 VanDerWaalsContact C-N 3.33Å; K549-D551 WeakPolarHBondContact O-CA 3.39Å; K549-D551 VanDerWaalsContact O-CG 3.25Å; K549-D551 PolarHBondContact O-N 2.71Å; K549-D551 VanDerWaalsContact O-OD1 3.13Å; D551-S555 PolarHBondContact O-OG 2.9Å
552	D	52.8	Low	77.7	Confident	96 Å²	96	83.3 Å²	83.3	51%	0.513	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	-31.7	-169.2	-133.6	9.2	0	0	0	113.9	S550 Q554 T556	S550-D552 VanDerWaalsContact C-N 3.29Å; S550-D552 PolarHBondContact O-N 3.45Å; S550-D552 VanDerWaalsContact O-N 3.08Å; D552-Q554 PolarHBondContact O-N 3.13Å; D552-T556 PolarHBondContact O-N 3.48Å
553	Y	52.6	Low	77.8	Confident	209 Å²	209	87.2 Å²	87.2	82%	0.82	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.3	-21.7	-170.5	-93.7	-83.7	0	0	0	114.9
554	Q	70.3	Confident	78.1	Confident	108 Å²	108	90.5 Å²	90.5	51%	0.505	46%	0.461	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.8	-9.8	-178	-67.9	-172.9	-6.1	0	0	113.7	R512 D552	R512-Q554 PolarHBondContact NH2-O 3.38Å; D552-Q554 PolarHBondContact O-N 3.13Å
555	S	86.5	Confident	78.4	Confident	16 Å²	16	84.9 Å²	84.9	11%	0.112	43%	0.434	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.3	-30.2	-172.3	67.1	0	0	0	0	112.9	R511 R512 D551	R511-S555 CarbonylContact C-O 3.57Å; R511-S555 WeakPolarHBondContact CA-O 3.47Å; R512-S555 PolarHBondContact N-O 3.37Å; D551-S555 PolarHBondContact O-OG 2.9Å
556	T	94.2	Very high	79	Confident	14 Å²	14	83.4 Å²	83.4	9%	0.086	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	129.8	-172.9	-55	0	0	0	0	111.8	T509 V510 R511 D552 Y558	T509-T556 HydrophobicContact CG2-CG2 3.46Å; T509-T556 VanDerWaalsContact CG2-CG2 3.46Å; V510-T556 CarbonylContact O-C 3.23Å; V510-T556 WeakPolarHBondContact O-CA 3.39Å; R511-T556 HydrophobicContact CG-CG2 4.39Å; R511-T556 PolarHBondContact NH1-OG1 3.5Å; D552-T556 PolarHBondContact O-N 3.48Å; T556-Y558 HydrophobicContact CG2-CD2 4.49Å; T556-Y558 HydrophobicContact CG2-CE1 4.13Å; T556-Y558 HydrophobicContact CG2-CE2 3.73Å; T556-Y558 WeakPolarHBondContact CG2-OH 3.4Å
557	F	95.8	Very high	80.2	Confident	12 Å²	12	82.4 Å²	82.4	5%	0.053	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	132.9	-177.3	-53.1	-102.9	0	0	0	110.3	D496 M499 Q500 A503 V510	D496-F557 HydrophobicContact CB-CE1 4.15Å; D496-F557 HydrophobicContact CB-CZ 4.48Å; M499-F557 HydrophobicContact CB-CD1 3.88Å; M499-F557 HydrophobicContact CB-CD2 3.61Å; M499-F557 HydrophobicContact CB-CE1 3.78Å; M499-F557 HydrophobicContact CB-CE2 3.51Å; M499-F557 HydrophobicContact CB-CG 3.8Å; M499-F557 HydrophobicContact CB-CZ 3.6Å; M499-F557 HydrophobicContact CG-CD2 4.36Å; M499-F557 HydrophobicContact CG-CE2 3.88Å; M499-F557 HydrophobicContact CG-CZ 4.04Å; Q500-F557 HydrophobicContact CB-CD1 4.16Å; A503-F557 HydrophobicContact CB-CB 4.03Å; V510-F557 HydrophobicContact CB-CB 4.22Å; V510-F557 HydrophobicContact CG1-CD2 4.39Å; V510-F557 PolarHBondContact N-O 2.54Å; V510-F557 PolarHBondContact O-N 3.18Å
558	Y	96.2	Very high	81.8	Confident	115 Å²	115	79.6 Å²	79.6	45%	0.451	40%	0.403	S	S	.	.			trans	-116.7	150.1	178.7	-57.8	-81.1	0	0	0	110.2	Q500 T509 T556 K560	Q500-Y558 PolarHBondContact NE2-O 3.33Å; T509-Y558 HydrophobicContact CG2-CD1 4.13Å; T509-Y558 HydrophobicContact CG2-CE1 3.66Å; T556-Y558 HydrophobicContact CG2-CD2 4.49Å; T556-Y558 HydrophobicContact CG2-CE1 4.13Å; T556-Y558 HydrophobicContact CG2-CE2 3.73Å; T556-Y558 WeakPolarHBondContact CG2-OH 3.4Å; Y558-K560 PolarHBondContact O-N 2.87Å
559	S	96.4	Very high	83.7	Confident	37 Å²	37	69.3 Å²	69.3	26%	0.259	36%	0.363	S	S	.	.			trans	-58.9	130.7	176.2	-165.5	0	0	0	0	111	A503 D504 R566	A503-S559 WeakPolarHBondContact O-CB 3.37Å; A503-S559 PolarHBondContact O-OG 3.4Å; D504-S559 PolarHBondContact O-OG 3.28Å; D504-S559 WeakPolarHBondContact OD1-CA 3.39Å; S559-R566 PolarHBondContact OG-NH1 3.02Å; S559-R566 VanDerWaalsContact OG-NH1 3.11Å
560	K	95.3	Very high	85.9	Confident	145 Å²	145	64.2 Å²	64.2	63%	0.63	34%	0.341	S	S	*	.			trans	-110.7	1.1	178.2	-68.5	174.6	-179.9	160.9	0	113.3	Q500 D504 Y558	Q500-K560 HydrophobicContact CG-CD 4.4Å; D504-K560 PolarHBondContact OD1-N 3.04Å; Y558-K560 PolarHBondContact O-N 2.87Å
561	I	95.6	Very high	88.3	Confident	36 Å²	36	66.6 Å²	66.6	19%	0.185	34%	0.335	C	S	.	.	S	Bend	trans	-115.3	153.5	-175.6	69.7	170.1	0	0	0	112.1	D504 I505 D565 R566	D504-I561 HydrophobicContact CB-CD1 3.88Å; D504-I561 HydrophobicContact CB-CG1 3.89Å; D504-I561 HydrophobicContact CB-CG2 4.3Å; D504-I561 WeakPolarHBondContact O-CD1 3.11Å; D504-I561 WeakPolarHBondContact O-CG1 3.42Å; I505-I561 HydrophobicContact CD1-CD1 4.09Å; I561-D565 HydrophobicContact CB-CB 4.04Å; I561-D565 HydrophobicContact CD1-CB 4.35Å; I561-R566 HydrophobicContact CD1-CB 3.81Å; I561-R566 HydrophobicContact CG1-CB 4.42Å
562	S	96.5	Very high	90.8	Very high	52 Å²	52	63.6 Å²	63.6	36%	0.364	32%	0.321	S	S	.	.			trans	-73	166.3	176.5	75.5	0	0	0	0	111.7	N564 D565 R566	S562-N564 PolarHBondContact O-N 2.73Å; S562-N564 PolarHBondContact OG-N 3.22Å; S562-D565 VanDerWaalsContact CB-OD2 3.29Å; S562-D565 WeakPolarHBondContact CB-OD2 3.29Å; S562-D565 PolarHBondContact N-OD2 3.25Å; S562-D565 PolarHBondContact OG-N 2.87Å; S562-D565 VanDerWaalsContact OG-N 3.14Å; S562-D565 PolarHBondContact OG-OD2 2.99Å; S562-R566 WeakPolarHBondContact O-CB 3.37Å; S562-R566 PolarHBondContact O-N 3.38Å
563	S	96	Very high	93	Very high	94 Å²	94	59.1 Å²	59.1	66%	0.657	30%	0.297	S	S	*	.	H	α-helix	trans	-60.9	-30.7	170.6	53.8	0	0	0	0	112.8	A567	S563-A567 WeakPolarHBondContact O-CB 3.39Å; S563-A567 PolarHBondContact O-N 3.26Å
564	N	96.8	Very high	95.1	Very high	85 Å²	85	51.9 Å²	51.9	46%	0.455	27%	0.271	S	S	.	.	H	α-helix	trans	-73.7	-45.2	-180	-162.3	61.6	0	0	0	111.6	N404 S562 R566 A567 V568	N404-N564 PolarHBondContact OD1-ND2 2.98Å; S562-N564 PolarHBondContact O-N 2.73Å; S562-N564 PolarHBondContact OG-N 3.22Å; N564-R566 VanDerWaalsContact C-N 3.26Å; N564-R566 PolarHBondContact O-N 3.34Å; N564-A567 PolarHBondContact O-N 3.24Å; N564-A567 VanDerWaalsContact O-N 3.1Å; N564-V568 WeakPolarHBondContact O-CG2 3.41Å; N564-V568 PolarHBondContact O-N 3.43Å
565	D	96.6	Very high	96.5	Very high	9 Å²	9	48.6 Å²	48.6	5%	0.048	26%	0.255	C	S	.	.	H	α-helix	trans	-54.9	-46.2	174.2	-60.6	-50.3	0	0	0	110.9	F403 N404 I561 S562 V568 K569	F403-D565 WeakPolarHBondContact CA-OD1 3.3Å; N404-D565 PolarHBondContact N-OD1 3.22Å; N404-D565 PolarHBondContact OD1-OD1 2.88Å; I561-D565 HydrophobicContact CB-CB 4.04Å; I561-D565 HydrophobicContact CD1-CB 4.35Å; S562-D565 VanDerWaalsContact CB-OD2 3.29Å; S562-D565 WeakPolarHBondContact CB-OD2 3.29Å; S562-D565 PolarHBondContact N-OD2 3.25Å; S562-D565 PolarHBondContact OG-N 2.87Å; S562-D565 VanDerWaalsContact OG-N 3.14Å; S562-D565 PolarHBondContact OG-OD2 2.99Å; D565-V568 PolarHBondContact O-N 2.98Å; D565-K569 WeakPolarHBondContact O-CG 3.21Å; D565-K569 PolarHBondContact O-N 2.82Å
566	R	97.3	Very high	97	Very high	27 Å²	27	48 Å²	48	10%	0.102	25%	0.251	C	S	.	.	H	α-helix	trans	-61.9	-43.1	177.2	173.8	163.5	35.5	-136.5	-3.8	112.3	D504 I505 N507 S559 I561 S562 N564 K569 L570	D504-R566 PolarHBondContact O-NH1 3.24Å; I505-R566 WeakPolarHBondContact O-CD 3.27Å; N507-R566 VanDerWaalsContact CA-NH1 3.34Å; N507-R566 PolarHBondContact OD1-NH1 2.98Å; N507-R566 VanDerWaalsContact OD1-NH1 3.09Å; N507-R566 PolarHBondContact OD1-NH2 3.38Å; N507-R566 VanDerWaalsContact OD1-NH2 3.07Å; S559-R566 PolarHBondContact OG-NH1 3.02Å; S559-R566 VanDerWaalsContact OG-NH1 3.11Å; I561-R566 HydrophobicContact CD1-CB 3.81Å; I561-R566 HydrophobicContact CG1-CB 4.42Å; S562-R566 WeakPolarHBondContact O-CB 3.37Å; S562-R566 PolarHBondContact O-N 3.38Å; N564-R566 VanDerWaalsContact C-N 3.26Å; N564-R566 PolarHBondContact O-N 3.34Å; R566-K569 PolarHBondContact O-N 2.93Å; R566-L570 HydrophobicContact CG-CD1 3.77Å; R566-L570 HydrophobicContact CG-CG 4.43Å; R566-L570 WeakPolarHBondContact O-CB 3.33Å; R566-L570 VanDerWaalsContact O-CG 3.27Å; R566-L570 WeakPolarHBondContact O-CG 3.4Å; R566-L570 PolarHBondContact O-N 2.89Å
567	A	97.8	Very high	97.2	Very high	52 Å²	52	47.4 Å²	47.4	43%	0.43	25%	0.247	S	C	.	.	H	α-helix	trans	-63.7	-42.1	179.3	0	0	0	0	0	112.5	S563 N564 K569 L570 Y571	S563-A567 WeakPolarHBondContact O-CB 3.39Å; S563-A567 PolarHBondContact O-N 3.26Å; N564-A567 PolarHBondContact O-N 3.24Å; N564-A567 VanDerWaalsContact O-N 3.1Å; A567-K569 VanDerWaalsContact C-N 3.35Å; A567-K569 PolarHBondContact O-N 2.9Å; A567-L570 PolarHBondContact O-N 3.35Å; A567-Y571 WeakPolarHBondContact O-CB 3.46Å; A567-Y571 PolarHBondContact O-N 3.25Å
568	V	97.9	Very high	97.2	Very high	42 Å²	42	52.9 Å²	52.9	26%	0.255	27%	0.271	S	S	.	.	H	α-helix	trans	-61.2	-44.6	176.6	173.5	0	0	0	0	111.1	P406 N564 D565 Y571 G572	P406-V568 HydrophobicContact CB-CG1 4.46Å; N564-V568 WeakPolarHBondContact O-CG2 3.41Å; N564-V568 PolarHBondContact O-N 3.43Å; D565-V568 PolarHBondContact O-N 2.98Å; V568-Y571 WeakPolarHBondContact O-CB 3.25Å; V568-Y571 PolarHBondContact O-N 3.23Å; V568-G572 PolarHBondContact O-N 3.34Å; V568-G572 VanDerWaalsContact O-N 3.13Å
569	K	98	Very high	97.2	Very high	6 Å²	6	54 Å²	54	3%	0.026	28%	0.275	C	S	.	.	H	α-helix	trans	-65.4	-43.3	178.8	-72.4	-179.4	-173.1	-51.8	0	112.6	Q401 E405 D407 Y410 Y453 I505 D565 R566 A567 Y571 G572 W573	Q401-K569 VanDerWaalsContact OE1-CE 3.23Å; E405-K569 PolarHBondContact O-NZ 3.11Å; D407-K569 IonicContact OD1-NZ 3.12Å; D407-K569 PolarHBondContact OD1-NZ 3.37Å; Y410-K569 WeakPolarHBondContact CE1-O 3.5Å; Y410-K569 PolarHBondContact OH-O 2.9Å; Y453-K569 HydrophobicContact CE1-CB 4.28Å; Y453-K569 WeakPolarHBondContact OH-CB 3.29Å; I505-K569 HydrophobicContact CD1-CB 4.14Å; I505-K569 HydrophobicContact CD1-CD 4.2Å; D565-K569 WeakPolarHBondContact O-CG 3.21Å; D565-K569 PolarHBondContact O-N 2.82Å; R566-K569 PolarHBondContact O-N 2.93Å; A567-K569 VanDerWaalsContact C-N 3.35Å; A567-K569 PolarHBondContact O-N 2.9Å; K569-Y571 VanDerWaalsContact C-N 3.35Å; K569-G572 PolarHBondContact O-N 3.31Å; K569-W573 PolarHBondContact O-N 3.27Å
570	L	98.3	Very high	97.2	Very high	11 Å²	11	52.2 Å²	52.2	6%	0.058	26%	0.262	C	S	.	.	H	α-helix	trans	-65.1	-38	175.3	-72.7	168.9	0	0	0	112.5	Y453 Y456 I505 R566 A567 W573 H574	Y453-L570 HydrophobicContact CD1-CD2 4.06Å; Y453-L570 HydrophobicContact CE1-CD2 4.39Å; Y456-L570 HydrophobicContact CD1-CD1 4.3Å; Y456-L570 HydrophobicContact CD1-CD2 3.34Å; Y456-L570 HydrophobicContact CD1-CG 4.45Å; Y456-L570 HydrophobicContact CD2-CD1 4.16Å; Y456-L570 HydrophobicContact CD2-CD2 4.02Å; Y456-L570 HydrophobicContact CE1-CD1 3.74Å; Y456-L570 HydrophobicContact CE1-CD2 3.57Å; Y456-L570 HydrophobicContact CE1-CG 4.26Å; Y456-L570 HydrophobicContact CE2-CD1 3.57Å; Y456-L570 HydrophobicContact CE2-CD2 4.2Å; Y456-L570 HydrophobicContact CG-CD1 4.49Å; Y456-L570 HydrophobicContact CG-CD2 3.6Å; I505-L570 HydrophobicContact CG2-CD2 3.88Å; I505-L570 HydrophobicContact CG2-CG 4.44Å; R566-L570 HydrophobicContact CG-CD1 3.77Å; R566-L570 HydrophobicContact CG-CG 4.43Å; R566-L570 WeakPolarHBondContact O-CB 3.33Å; R566-L570 VanDerWaalsContact O-CG 3.27Å; R566-L570 WeakPolarHBondContact O-CG 3.4Å; R566-L570 PolarHBondContact O-N 2.89Å; A567-L570 PolarHBondContact O-N 3.35Å; L570-W573 WeakPolarHBondContact O-CB 3.37Å; L570-W573 PolarHBondContact O-N 3.38Å; L570-H574 PolarHBondContact O-N 3Å; L570-H574 PolarHBondContact O-ND1 2.95Å
571	Y	97.9	Very high	97.2	Very high	159 Å²	159	47.2 Å²	47.2	62%	0.624	24%	0.242	S	C	*	.	H	α-helix	trans	-58.9	-49.2	174.4	178.5	-93.4	0	0	0	111.3	A567 V568 K569 W573 H574 E575	A567-Y571 WeakPolarHBondContact O-CB 3.46Å; A567-Y571 PolarHBondContact O-N 3.25Å; V568-Y571 WeakPolarHBondContact O-CB 3.25Å; V568-Y571 PolarHBondContact O-N 3.23Å; K569-Y571 VanDerWaalsContact C-N 3.35Å; Y571-W573 VanDerWaalsContact C-N 3.32Å; Y571-W573 PolarHBondContact O-N 3.05Å; Y571-H574 PolarHBondContact O-N 3.25Å; Y571-E575 HydrophobicContact CD1-CG 4.22Å; Y571-E575 HydrophobicContact CE1-CG 3.78Å; Y571-E575 HydrophobicContact CE2-CG 4.23Å; Y571-E575 WeakPolarHBondContact O-CB 3.46Å; Y571-E575 WeakPolarHBondContact O-CG 3.39Å; Y571-E575 PolarHBondContact O-N 3.5Å
572	G	97.9	Very high	96.9	Very high	11 Å²	11	51.1 Å²	51.1	11%	0.113	26%	0.259	C	S	.	.	H	α-helix	trans	-61.1	-39.1	176.5	0	0	0	0	0	113.1	V568 K569 S576	V568-G572 PolarHBondContact O-N 3.34Å; V568-G572 VanDerWaalsContact O-N 3.13Å; K569-G572 PolarHBondContact O-N 3.31Å; G572-S576 WeakPolarHBondContact O-CB 3.35Å; G572-S576 PolarHBondContact O-N 2.7Å; G572-S576 PolarHBondContact O-OG 3.09Å
573	W	98.3	Very high	96.5	Very high	1 Å²	1	56.3 Å²	56.3	0%	0.004	27%	0.271	C	S	.	.	H	α-helix	trans	-61	-53.5	173.3	168.2	-111.8	0	0	0	112.3	Y410 L411 V412 Y453 Q454 D457 K569 L570 Y571 E575 S576 V577	Y410-W573 HydrophobicContact CD1-CB 4.12Å; Y410-W573 HydrophobicContact CD1-CE3 4.49Å; Y410-W573 HydrophobicContact CE1-CB 4.16Å; Y410-W573 VanDerWaalsContact CE1-N 3.35Å; L411-W573 WeakPolarHBondContact O-CZ3 3.32Å; V412-W573 HydrophobicContact CB-CH2 4.32Å; V412-W573 HydrophobicContact CB-CZ3 4.31Å; V412-W573 HydrophobicContact CG1-CH2 4.24Å; V412-W573 HydrophobicContact CG2-CE3 4.3Å; V412-W573 HydrophobicContact CG2-CH2 4.04Å; V412-W573 HydrophobicContact CG2-CZ3 3.72Å; Y453-W573 VanDerWaalsContact CB-CE2 3.41Å; Y453-W573 HydrophobicContact CD1-CB 3.8Å; Y453-W573 HydrophobicContact CD1-CD2 4.45Å; Y453-W573 AromaticContact CD1-CG 3.9Å; Y453-W573 HydrophobicContact CD1-CG 3.9Å; Y453-W573 HydrophobicContact CD2-CB 4.21Å; Y453-W573 HydrophobicContact CD2-CD2 4Å; Y453-W573 AromaticContact CD2-CE3 3.77Å; Y453-W573 HydrophobicContact CD2-CE3 3.77Å; Y453-W573 HydrophobicContact CD2-CG 4.19Å; Y453-W573 HydrophobicContact CD2-CZ3 4.44Å; Y453-W573 HydrophobicContact CE1-CB 4.07Å; Y453-W573 HydrophobicContact CE2-CB 4.46Å; Y453-W573 HydrophobicContact CG-CB 3.88Å; Y453-W573 AromaticContact CG-CD2 3.71Å; Y453-W573 HydrophobicContact CG-CD2 3.71Å; Y453-W573 AromaticContact CG-CE3 3.98Å; Y453-W573 HydrophobicContact CG-CE3 3.98Å; Y453-W573 AromaticContact CG-CG 3.64Å; Y453-W573 HydrophobicContact CG-CG 3.64Å; Q454-W573 HydrophobicContact CG-CH2 3.88Å; Q454-W573 HydrophobicContact CG-CZ2 3.63Å; D457-W573 PolarHBondContact OD2-NE1 3.41Å; K569-W573 PolarHBondContact O-N 3.27Å; L570-W573 WeakPolarHBondContact O-CB 3.37Å; L570-W573 PolarHBondContact O-N 3.38Å; Y571-W573 VanDerWaalsContact C-N 3.32Å; Y571-W573 PolarHBondContact O-N 3.05Å; W573-E575 VanDerWaalsContact C-N 3.31Å; W573-E575 PolarHBondContact O-N 3.34Å; W573-S576 CarbonylContact O-C 3.55Å; W573-S576 WeakPolarHBondContact O-CA 3.5Å; W573-S576 VanDerWaalsContact O-CB 3.29Å; W573-S576 WeakPolarHBondContact O-CB 3.38Å; W573-S576 PolarHBondContact O-N 3.35Å; W573-V577 HydrophobicContact CD2-CG2 3.97Å; W573-V577 VanDerWaalsContact CE2-CG2 3.44Å; W573-V577 HydrophobicContact CE3-CG2 4.48Å; W573-V577 HydrophobicContact CH2-CG2 4.12Å; W573-V577 HydrophobicContact CZ2-CG2 3.54Å; W573-V577 PolarHBondContact O-N 3.46Å
574	H	98.4	Very high	96	Very high	58 Å²	58	55.2 Å²	55.2	27%	0.269	26%	0.257	S	S	.	.	H	α-helix	trans	-65.2	-34.4	-177.5	-66.5	147.1	0	0	0	112.5	D457 L570 Y571 S576 V577 K578	D457-H574 IonicContact OD1-CD2 2.68Å; D457-H574 IonicContact OD1-CE1 3.58Å; D457-H574 IonicContact OD1-NE2 2.86Å; D457-H574 PolarHBondContact OD1-NE2 3.37Å; L570-H574 PolarHBondContact O-N 3Å; L570-H574 PolarHBondContact O-ND1 2.95Å; Y571-H574 PolarHBondContact O-N 3.25Å; H574-S576 VanDerWaalsContact C-N 3.3Å; H574-S576 PolarHBondContact O-N 2.81Å; H574-V577 PolarHBondContact O-N 2.68Å; H574-K578 WeakPolarHBondContact O-CG 3.44Å; H574-K578 PolarHBondContact O-N 2.8Å
575	E	97.9	Very high	95.2	Very high	38 Å²	38	54.6 Å²	54.6	18%	0.178	26%	0.258	C	S	.	.	H	α-helix	trans	-62.7	-37.3	170	-78	-54.7	121.6	0	0	112.4	Y571 W573 K578 R579	Y571-E575 HydrophobicContact CD1-CG 4.22Å; Y571-E575 HydrophobicContact CE1-CG 3.78Å; Y571-E575 HydrophobicContact CE2-CG 4.23Å; Y571-E575 WeakPolarHBondContact O-CB 3.46Å; Y571-E575 WeakPolarHBondContact O-CG 3.39Å; Y571-E575 PolarHBondContact O-N 3.5Å; W573-E575 VanDerWaalsContact C-N 3.31Å; W573-E575 PolarHBondContact O-N 3.34Å; E575-K578 WeakPolarHBondContact OE1-CE 3.41Å; E575-K578 IonicContact OE1-NZ 3.79Å; E575-K578 PolarHBondContact OE1-NZ 2.62Å; E575-R579 PolarHBondContact O-N 3.14Å; E575-R579 PolarHBondContact O-NH1 3.03Å; E575-R579 IonicContact OE2-CZ 3.8Å; E575-R579 IonicContact OE2-NH1 3.37Å; E575-R579 PolarHBondContact OE2-NH1 3.17Å; E575-R579 IonicContact OE2-NH2 2.8Å
576	S	98.3	Very high	94	Very high	5 Å²	5	59.9 Å²	59.9	4%	0.035	29%	0.286	C	S	.	.	H	α-helix	trans	-68.9	-41.4	175.1	-55.1	0	0	0	0	111.3	Y410 C432 G572 W573 H574 K578 R579 S580	Y410-S576 VanDerWaalsContact CB-OG 3.26Å; Y410-S576 WeakPolarHBondContact CB-OG 3.37Å; C432-S576 WeakPolarHBondContact CB-OG 3.17Å; G572-S576 WeakPolarHBondContact O-CB 3.35Å; G572-S576 PolarHBondContact O-N 2.7Å; G572-S576 PolarHBondContact O-OG 3.09Å; W573-S576 CarbonylContact O-C 3.55Å; W573-S576 WeakPolarHBondContact O-CA 3.5Å; W573-S576 VanDerWaalsContact O-CB 3.29Å; W573-S576 WeakPolarHBondContact O-CB 3.38Å; W573-S576 PolarHBondContact O-N 3.35Å; H574-S576 VanDerWaalsContact C-N 3.3Å; H574-S576 PolarHBondContact O-N 2.81Å; S576-K578 PolarHBondContact O-N 3.45Å; S576-R579 PolarHBondContact O-N 3.06Å; S576-S580 PolarHBondContact O-N 3.21Å
577	V	98	Very high	92.8	Very high	0 Å²	0	67 Å²	67	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-59.1	-46.9	175.4	175	0	0	0	0	110.6	V412 L418 W422 W573 H574 R579 S580 L581	V412-V577 HydrophobicContact CG1-CG2 4.36Å; V412-V577 HydrophobicContact CG2-CG2 4.15Å; L418-V577 HydrophobicContact CD1-CG1 3.99Å; W422-V577 HydrophobicContact CD2-CG1 3.97Å; W422-V577 HydrophobicContact CE3-CG1 4.12Å; W422-V577 HydrophobicContact CH2-CG1 3.87Å; W422-V577 HydrophobicContact CZ2-CB 4.33Å; W422-V577 HydrophobicContact CZ2-CG1 3.71Å; W422-V577 HydrophobicContact CZ2-CG2 4.32Å; W422-V577 HydrophobicContact CZ3-CG1 4.07Å; W573-V577 HydrophobicContact CD2-CG2 3.97Å; W573-V577 VanDerWaalsContact CE2-CG2 3.44Å; W573-V577 HydrophobicContact CE3-CG2 4.48Å; W573-V577 HydrophobicContact CH2-CG2 4.12Å; W573-V577 HydrophobicContact CZ2-CG2 3.54Å; W573-V577 PolarHBondContact O-N 3.46Å; H574-V577 PolarHBondContact O-N 2.68Å; V577-R579 PolarHBondContact O-N 3.41Å; V577-S580 WeakPolarHBondContact O-CA 3.44Å; V577-S580 VanDerWaalsContact O-CB 3.32Å; V577-S580 WeakPolarHBondContact O-CB 3.26Å; V577-S580 PolarHBondContact O-N 3.43Å; V577-S580 PolarHBondContact O-OG 3.42Å; V577-L581 HydrophobicContact CG1-CD2 4.06Å; V577-L581 HydrophobicContact CG1-CG 4.37Å; V577-L581 WeakPolarHBondContact O-CG 3.37Å; V577-L581 PolarHBondContact O-N 3.33Å
578	K	96.8	Very high	91.8	Very high	128 Å²	128	69.8 Å²	69.8	56%	0.557	33%	0.334	S	S	*	.	H	α-helix	trans	-53.2	-39	177.8	-72.5	172.8	-172.7	173.7	0	113	H574 E575 S576 S580 L581	H574-K578 WeakPolarHBondContact O-CG 3.44Å; H574-K578 PolarHBondContact O-N 2.8Å; E575-K578 WeakPolarHBondContact OE1-CE 3.41Å; E575-K578 IonicContact OE1-NZ 3.79Å; E575-K578 PolarHBondContact OE1-NZ 2.62Å; S576-K578 PolarHBondContact O-N 3.45Å; K578-S580 VanDerWaalsContact C-N 3.26Å; K578-S580 PolarHBondContact O-N 2.87Å; K578-L581 PolarHBondContact O-N 3.28Å
579	R	95.9	Very high	90.8	Very high	138 Å²	138	73.6 Å²	73.6	52%	0.521	35%	0.352	S	S	.	.	H	α-helix	trans	-72	-18.3	178.1	-71	162.4	176.6	72.7	2	113.5	E575 S576 V577	E575-R579 PolarHBondContact O-N 3.14Å; E575-R579 PolarHBondContact O-NH1 3.03Å; E575-R579 IonicContact OE2-CZ 3.8Å; E575-R579 IonicContact OE2-NH1 3.37Å; E575-R579 PolarHBondContact OE2-NH1 3.17Å; E575-R579 IonicContact OE2-NH2 2.8Å; S576-R579 PolarHBondContact O-N 3.06Å; V577-R579 PolarHBondContact O-N 3.41Å
580	S	96.6	Very high	90	Very high	0 Å²	0	78 Å²	78	0%	0	38%	0.376	C	S	.	.	H	α-helix	trans	-84.1	-24.8	174	80.5	0	0	0	0	113.3	A427 R428 S576 V577 K578	A427-S580 WeakPolarHBondContact CA-O 3.45Å; R428-S580 PolarHBondContact N-O 3.31Å; R428-S580 VanDerWaalsContact N-O 3.14Å; R428-S580 WeakPolarHBondContact O-CB 3.42Å; S576-S580 PolarHBondContact O-N 3.21Å; V577-S580 WeakPolarHBondContact O-CA 3.44Å; V577-S580 VanDerWaalsContact O-CB 3.32Å; V577-S580 WeakPolarHBondContact O-CB 3.26Å; V577-S580 PolarHBondContact O-N 3.43Å; V577-S580 PolarHBondContact O-OG 3.42Å; K578-S580 VanDerWaalsContact C-N 3.26Å; K578-S580 PolarHBondContact O-N 2.87Å
581	L	94.6	Very high	89.2	Confident	39 Å²	39	86.9 Å²	86.9	20%	0.204	42%	0.417	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	149.5	-172	-57	-172.1	0	0	0	111.5	L418 Q424 A427 V577 K578 W583	L418-L581 HydrophobicContact CD1-CD2 3.83Å; Q424-L581 HydrophobicContact CB-CD2 4.31Å; Q424-L581 HydrophobicContact CG-CD2 4.04Å; A427-L581 HydrophobicContact CB-CD2 4.25Å; V577-L581 HydrophobicContact CG1-CD2 4.06Å; V577-L581 HydrophobicContact CG1-CG 4.37Å; V577-L581 WeakPolarHBondContact O-CG 3.37Å; V577-L581 PolarHBondContact O-N 3.33Å; K578-L581 PolarHBondContact O-N 3.28Å; L581-W583 PolarHBondContact O-N 2.8Å
582	H	88.9	Confident	88.3	Confident	119 Å²	119	84 Å²	84	55%	0.551	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.4	25	176.1	-49.8	-55.8	0	0	0	114.7	I584	H582-I584 PolarHBondContact O-N 3.31Å
583	W	88.8	Confident	87.3	Confident	161 Å²	161	88.8 Å²	88.8	61%	0.61	44%	0.439	S	S	*	.			trans	-62.9	-41.8	179.4	-170.7	-82	0	0	0	112.2	S426 R428 V430 L581	S426-W583 PolarHBondContact O-N 2.97Å; R428-W583 HydrophobicContact CB-CB 3.88Å; R428-W583 HydrophobicContact CB-CD2 4.34Å; R428-W583 HydrophobicContact CB-CG 3.68Å; R428-W583 HydrophobicContact CG-CB 3.96Å; R428-W583 HydrophobicContact CG-CG 3.86Å; V430-W583 HydrophobicContact CG1-CE3 4.35Å; V430-W583 HydrophobicContact CG1-CZ3 4.24Å; L581-W583 PolarHBondContact O-N 2.8Å
584	I	85.2	Confident	86.4	Confident	70 Å²	70	92.6 Å²	92.6	36%	0.359	46%	0.46	S	S	.	.	S	Bend	trans	-84.7	124.1	167.6	-62.8	-164.5	0	0	0	109.6	S426 R428 H582	S426-I584 WeakPolarHBondContact CB-O 3.46Å; S426-I584 PolarHBondContact O-N 2.99Å; R428-I584 HydrophobicContact CG-CG1 4.32Å; H582-I584 PolarHBondContact O-N 3.31Å
585	P	80	Confident	85.7	Confident	73 Å²	73	94.3 Å²	94.3	47%	0.474	47%	0.474	S	S	.	.			trans	-68.5	142.7	-179.7	29.5	-36	0	0	0	111.5	K587 I589	P585-K587 VanDerWaalsContact C-N 3.29Å; P585-K587 PolarHBondContact O-N 3.24Å; P585-I589 HydrophobicContact CB-CG1 4.41Å; P585-I589 HydrophobicContact CG-CD1 4.09Å; P585-I589 HydrophobicContact CG-CG1 4.29Å
586	N	70.4	Confident	85.1	Confident	120 Å²	120	97.6 Å²	97.6	64%	0.642	49%	0.493	S	S	*	.	S	Bend	trans	-78.5	-11.6	176.9	-74.5	-24.8	0	0	0	113.6
587	K	72.9	Confident	84.6	Confident	176 Å²	176	101.8 Å²	101.8	77%	0.765	51%	0.514	S	S	*	.	S	Bend	trans	-134.7	156.6	-177.9	-66	-177.6	-179.2	178.3	0	109.7	P585 I589	P585-K587 VanDerWaalsContact C-N 3.29Å; P585-K587 PolarHBondContact O-N 3.24Å; K587-I589 PolarHBondContact O-N 3.03Å
588	S	76.9	Confident	83.9	Confident	110 Å²	110	106.7 Å²	106.7	77%	0.769	54%	0.54	S	S	*	.			trans	-58.5	132.1	168.7	54.4	0	0	0	0	110.1
589	I	76.9	Confident	83.3	Confident	122 Å²	122	103.9 Å²	103.9	63%	0.626	54%	0.537	S	S	*	.			trans	-76.9	134.5	173.9	-59.5	171.3	0	0	0	107.9	P585 K587	P585-I589 HydrophobicContact CB-CG1 4.41Å; P585-I589 HydrophobicContact CG-CD1 4.09Å; P585-I589 HydrophobicContact CG-CG1 4.29Å; K587-I589 PolarHBondContact O-N 3.03Å
590	N	81.3	Confident	82.9	Confident	99 Å²	99	101.1 Å²	101.1	53%	0.529	53%	0.532	S	S	.	.			trans	-110.8	149.2	174.5	-171.6	5	0	0	0	109.5	S592 Q593	N590-S592 PolarHBondContact ND2-OG 3.45Å; N590-S592 PolarHBondContact O-N 3.03Å; N590-Q593 PolarHBondContact O-N 3.21Å
591	E	81.6	Confident	82.4	Confident	198 Å²	198	105.4 Å²	105.4	93%	0.925	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.6	-24.2	178.6	-70.9	-174.2	163.3	0	0	113.6	Q593	E591-Q593 PolarHBondContact O-N 3.06Å
592	S	79.5	Confident	81.9	Confident	97 Å²	97	108.5 Å²	108.5	68%	0.678	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.9	-14.1	175.8	53.5	0	0	0	0	114.7	N590	N590-S592 PolarHBondContact ND2-OG 3.45Å; N590-S592 PolarHBondContact O-N 3.03Å
593	Q	75.4	Confident	81.6	Confident	112 Å²	112	107 Å²	107	52%	0.523	57%	0.566	S	S	.	*			trans	-91.7	102	177.7	-66.7	-179.8	-35.7	0	0	110	N590 E591 T595	N590-Q593 PolarHBondContact O-N 3.21Å; E591-Q593 PolarHBondContact O-N 3.06Å; Q593-T595 PolarHBondContact O-N 3.44Å
594	N	80.6	Confident	81.3	Confident	82 Å²	82	102.5 Å²	102.5	44%	0.439	56%	0.559	S	S	.	*			trans	-92.2	88	176.9	-167.9	-23.1	0	0	0	111.1	L596 L597 D598	N594-L596 PolarHBondContact O-N 3.4Å; N594-L596 VanDerWaalsContact O-N 3.15Å; N594-L596 WeakPolarHBondContact OD1-CB 3.41Å; N594-L596 PolarHBondContact OD1-N 3.04Å; N594-L597 HydrophobicContact CB-CB 4.45Å; N594-L597 HydrophobicContact CB-CD1 4.15Å; N594-L597 HydrophobicContact CB-CG 4.31Å; N594-L597 PolarHBondContact O-N 3.46Å; N594-L597 VanDerWaalsContact O-N 3.13Å; N594-L597 PolarHBondContact OD1-N 3.29Å; N594-D598 PolarHBondContact O-N 2.93Å
595	T	82.5	Confident	81.1	Confident	93 Å²	93	104 Å²	104	57%	0.571	57%	0.567	S	S	*	*	H	α-helix	trans	-62.5	-20.3	-178.5	56.6	0	0	0	0	114.2	Q593 S599	Q593-T595 PolarHBondContact O-N 3.44Å; T595-S599 WeakPolarHBondContact O-CB 3.44Å; T595-S599 PolarHBondContact O-N 3.4Å; T595-S599 VanDerWaalsContact O-N 3.17Å; T595-S599 PolarHBondContact O-OG 2.9Å
596	L	87.2	Confident	80.9	Confident	108 Å²	108	105.7 Å²	105.7	57%	0.565	57%	0.569	S	S	*	*	H	α-helix	trans	-70.1	-45	174.3	174.5	62.9	0	0	0	111	N594 S599 L600	N594-L596 PolarHBondContact O-N 3.4Å; N594-L596 VanDerWaalsContact O-N 3.15Å; N594-L596 WeakPolarHBondContact OD1-CB 3.41Å; N594-L596 PolarHBondContact OD1-N 3.04Å; L596-S599 PolarHBondContact O-N 2.95Å; L596-L600 HydrophobicContact CD1-CD1 4.17Å; L596-L600 HydrophobicContact CD1-CG 4.22Å; L596-L600 HydrophobicContact CG-CD1 4.08Å; L596-L600 WeakPolarHBondContact O-CG 3.42Å; L596-L600 PolarHBondContact O-N 3.33Å
597	L	86.5	Confident	81	Confident	93 Å²	93	105.9 Å²	105.9	49%	0.487	57%	0.566	S	S	.	*	H	α-helix	trans	-64.2	-43.3	178	-68.2	178.2	0	0	0	110.8	N594 S599 L600 D601	N594-L597 HydrophobicContact CB-CB 4.45Å; N594-L597 HydrophobicContact CB-CD1 4.15Å; N594-L597 HydrophobicContact CB-CG 4.31Å; N594-L597 PolarHBondContact O-N 3.46Å; N594-L597 VanDerWaalsContact O-N 3.13Å; N594-L597 PolarHBondContact OD1-N 3.29Å; L597-S599 PolarHBondContact O-N 3.39Å; L597-L600 PolarHBondContact O-N 3.44Å; L597-L600 VanDerWaalsContact O-N 3.17Å; L597-D601 WeakPolarHBondContact O-CB 3.49Å; L597-D601 VanDerWaalsContact O-CG 3.31Å; L597-D601 PolarHBondContact O-N 2.94Å
598	D	83.5	Confident	80.9	Confident	102 Å²	102	100.7 Å²	100.7	55%	0.545	55%	0.551	S	S	.	*	H	α-helix	trans	-56.5	-39.7	175	-62.7	-25.5	0	0	0	111.9	N594 L602	N594-D598 PolarHBondContact O-N 2.93Å; D598-L602 PolarHBondContact O-N 3.5Å; D598-L602 VanDerWaalsContact O-N 3.11Å
599	S	84.2	Confident	80.7	Confident	70 Å²	70	101 Å²	101	49%	0.49	54%	0.54	S	S	.	.	H	α-helix	trans	-71.2	-41	178.9	-58.6	0	0	0	0	112.4	T595 L596 L597 L602 I603	T595-S599 WeakPolarHBondContact O-CB 3.44Å; T595-S599 PolarHBondContact O-N 3.4Å; T595-S599 VanDerWaalsContact O-N 3.17Å; T595-S599 PolarHBondContact O-OG 2.9Å; L596-S599 PolarHBondContact O-N 2.95Å; L597-S599 PolarHBondContact O-N 3.39Å; S599-L602 WeakPolarHBondContact O-CB 3.4Å; S599-L602 PolarHBondContact O-N 3.39Å; S599-I603 WeakPolarHBondContact O-CG1 3.35Å; S599-I603 PolarHBondContact O-N 3.08Å
600	L	88.2	Confident	80.1	Confident	80 Å²	80	99.3 Å²	99.3	42%	0.419	53%	0.532	S	S	.	.	H	α-helix	trans	-67.1	-40.3	176.5	-70.1	172.3	0	0	0	111.4	L596 L597 L602 I603 C604	L596-L600 HydrophobicContact CD1-CD1 4.17Å; L596-L600 HydrophobicContact CD1-CG 4.22Å; L596-L600 HydrophobicContact CG-CD1 4.08Å; L596-L600 WeakPolarHBondContact O-CG 3.42Å; L596-L600 PolarHBondContact O-N 3.33Å; L597-L600 PolarHBondContact O-N 3.44Å; L597-L600 VanDerWaalsContact O-N 3.17Å; L600-L602 VanDerWaalsContact C-N 3.28Å; L600-L602 PolarHBondContact O-N 3.15Å; L600-I603 HydrophobicContact CD2-CD1 4.5Å; L600-I603 WeakPolarHBondContact O-CB 3.45Å; L600-I603 PolarHBondContact O-N 3.29Å; L600-C604 PolarHBondContact O-N 3.01Å; L600-C604 PolarHBondContact O-SG 2.96Å
601	D	86.5	Confident	79.4	Confident	89 Å²	89	99.9 Å²	99.9	48%	0.476	53%	0.532	S	S	.	.	H	α-helix	trans	-62.6	-37.2	175.2	-74.3	-16.2	0	0	0	111.2	L597 C604 N605	L597-D601 WeakPolarHBondContact O-CB 3.49Å; L597-D601 VanDerWaalsContact O-CG 3.31Å; L597-D601 PolarHBondContact O-N 2.94Å; D601-C604 PolarHBondContact O-N 2.78Å; D601-N605 VanDerWaalsContact O-CB 3.27Å; D601-N605 WeakPolarHBondContact O-CB 3.43Å; D601-N605 PolarHBondContact O-N 2.93Å; D601-N605 PolarHBondContact O-ND2 3.49Å
602	L	82.8	Confident	78.6	Confident	105 Å²	105	94.7 Å²	94.7	55%	0.55	51%	0.51	S	S	.	.	H	α-helix	trans	-63.1	-41.6	175	-158.4	127.1	0	0	0	111.8	D598 S599 L600 N605 E606	D598-L602 PolarHBondContact O-N 3.5Å; D598-L602 VanDerWaalsContact O-N 3.11Å; S599-L602 WeakPolarHBondContact O-CB 3.4Å; S599-L602 PolarHBondContact O-N 3.39Å; L600-L602 VanDerWaalsContact C-N 3.28Å; L600-L602 PolarHBondContact O-N 3.15Å; L602-N605 PolarHBondContact O-N 2.92Å; L602-E606 WeakPolarHBondContact O-CG 3.29Å; L602-E606 PolarHBondContact O-N 3.06Å
603	I	83.1	Confident	77.6	Confident	88 Å²	88	97.7 Å²	97.7	45%	0.451	51%	0.507	S	S	.	.	H	α-helix	trans	-63.8	-49.1	175.3	-64.9	164.8	0	0	0	110.6	S599 L600 N605 E606 E607	S599-I603 WeakPolarHBondContact O-CG1 3.35Å; S599-I603 PolarHBondContact O-N 3.08Å; L600-I603 HydrophobicContact CD2-CD1 4.5Å; L600-I603 WeakPolarHBondContact O-CB 3.45Å; L600-I603 PolarHBondContact O-N 3.29Å; I603-N605 VanDerWaalsContact C-N 3.29Å; I603-N605 PolarHBondContact O-N 3.44Å; I603-E606 PolarHBondContact O-N 3.48Å; I603-E607 PolarHBondContact O-N 2.9Å
604	C	82.3	Confident	77	Confident	66 Å²	66	97 Å²	97	45%	0.446	51%	0.506	S	S	.	.	H	α-helix	trans	-60.7	-39	179	-68.7	0	0	0	0	112.1	L600 D601 C608	L600-C604 PolarHBondContact O-N 3.01Å; L600-C604 PolarHBondContact O-SG 2.96Å; D601-C604 PolarHBondContact O-N 2.78Å; C604-C608 PolarHBondContact O-N 3.23Å; C604-C608 PolarHBondContact O-SG 2.88Å
605	N	81	Confident	76.2	Confident	101 Å²	101	98.5 Å²	98.5	54%	0.54	51%	0.509	S	S	.	.	H	α-helix	trans	-70.6	-38.6	177.6	-74.7	-38.6	0	0	0	112.2	D601 L602 I603 C608 E609	D601-N605 VanDerWaalsContact O-CB 3.27Å; D601-N605 WeakPolarHBondContact O-CB 3.43Å; D601-N605 PolarHBondContact O-N 2.93Å; D601-N605 PolarHBondContact O-ND2 3.49Å; L602-N605 PolarHBondContact O-N 2.92Å; I603-N605 VanDerWaalsContact C-N 3.29Å; I603-N605 PolarHBondContact O-N 3.44Å; N605-C608 PolarHBondContact O-N 2.82Å; N605-E609 WeakPolarHBondContact O-CB 3.5Å; N605-E609 WeakPolarHBondContact O-CG 3.47Å; N605-E609 PolarHBondContact O-N 3.4Å
606	E	75.5	Confident	75	Confident	108 Å²	108	101.7 Å²	101.7	51%	0.505	51%	0.514	S	S	.	.	H	α-helix	trans	-63.8	-39.2	174.1	-78.9	-174.7	176.7	0	0	112.1	L602 I603 E609 N610	L602-E606 WeakPolarHBondContact O-CG 3.29Å; L602-E606 PolarHBondContact O-N 3.06Å; I603-E606 PolarHBondContact O-N 3.48Å; E606-E609 PolarHBondContact O-N 3.46Å; E606-N610 VanDerWaalsContact O-CB 3.25Å; E606-N610 WeakPolarHBondContact O-CB 3.44Å; E606-N610 VanDerWaalsContact O-CG 3.32Å; E606-N610 PolarHBondContact O-N 2.92Å; E606-N610 PolarHBondContact O-ND2 2.91Å
607	E	73.3	Confident	73.4	Confident	125 Å²	125	101.2 Å²	101.2	58%	0.584	51%	0.513	S	S	*	.	H	α-helix	trans	-62.2	-45.6	172.8	-71.9	-178.4	173.9	0	0	111.3	I603 N610 E611	I603-E607 PolarHBondContact O-N 2.9Å; E607-N610 PolarHBondContact O-N 3.47Å; E607-E611 WeakPolarHBondContact O-CB 3.41Å; E607-E611 WeakPolarHBondContact O-CG 3.4Å; E607-E611 PolarHBondContact O-N 3.48Å
608	C	70.2	Confident	71.8	Confident	67 Å²	67	102.2 Å²	102.2	45%	0.453	52%	0.515	S	S	.	.	H	α-helix	trans	-62.8	-42	175.7	-71.5	0	0	0	0	112.8	C604 N605 N612	C604-C608 PolarHBondContact O-N 3.23Å; C604-C608 PolarHBondContact O-SG 2.88Å; N605-C608 PolarHBondContact O-N 2.82Å; C608-N612 WeakPolarHBondContact O-CB 3.42Å; C608-N612 VanDerWaalsContact O-CG 3.24Å; C608-N612 PolarHBondContact O-N 2.82Å; C608-N612 PolarHBondContact O-ND2 2.82Å
609	E	71.8	Confident	70.3	Confident	117 Å²	117	101.7 Å²	101.7	55%	0.547	52%	0.518	S	S	.	.	H	α-helix	trans	-67.2	-40.7	176.2	-78.9	-161.4	174.9	0	0	112.1	N605 E606 N612 R613	N605-E609 WeakPolarHBondContact O-CB 3.5Å; N605-E609 WeakPolarHBondContact O-CG 3.47Å; N605-E609 PolarHBondContact O-N 3.4Å; E606-E609 PolarHBondContact O-N 3.46Å; E609-N612 PolarHBondContact O-N 2.85Å; E609-R613 WeakPolarHBondContact O-CB 3.42Å; E609-R613 WeakPolarHBondContact O-CG 3.4Å; E609-R613 PolarHBondContact O-N 3.47Å
610	N	65.3	Low	68.6	Low	85 Å²	85	100.7 Å²	100.7	46%	0.455	51%	0.511	S	S	.	.	H	α-helix	trans	-66.3	-42.8	176.2	-80.2	-32.8	0	0	0	111.3	E606 E607 N612 R613 I614	E606-N610 VanDerWaalsContact O-CB 3.25Å; E606-N610 WeakPolarHBondContact O-CB 3.44Å; E606-N610 VanDerWaalsContact O-CG 3.32Å; E606-N610 PolarHBondContact O-N 2.92Å; E606-N610 PolarHBondContact O-ND2 2.91Å; E607-N610 PolarHBondContact O-N 3.47Å; N610-N612 VanDerWaalsContact C-N 3.31Å; N610-N612 PolarHBondContact O-N 3.37Å; N610-R613 PolarHBondContact O-N 2.88Å; N610-I614 WeakPolarHBondContact O-CB 3.47Å; N610-I614 WeakPolarHBondContact O-CD1 3.18Å; N610-I614 WeakPolarHBondContact O-CG1 3.41Å; N610-I614 PolarHBondContact O-N 2.84Å
611	E	65.8	Low	66.7	Low	112 Å²	112	101.2 Å²	101.2	52%	0.523	51%	0.514	S	S	.	.	H	α-helix	trans	-58.1	-43.7	170.9	-80.6	-162.9	-178.1	0	0	111.9	E607 I614 K615	E607-E611 WeakPolarHBondContact O-CB 3.41Å; E607-E611 WeakPolarHBondContact O-CG 3.4Å; E607-E611 PolarHBondContact O-N 3.48Å; E611-I614 PolarHBondContact O-N 2.84Å; E611-K615 WeakPolarHBondContact O-CB 3.4Å; E611-K615 VanDerWaalsContact O-CG 3.29Å; E611-K615 WeakPolarHBondContact O-CG 3.35Å; E611-K615 PolarHBondContact O-N 3.5Å; E611-K615 IonicContact OE2-NZ 3.26Å; E611-K615 PolarHBondContact OE2-NZ 2.98Å
612	N	66	Low	64.8	Low	88 Å²	88	101.4 Å²	101.4	47%	0.471	51%	0.514	S	S	.	.	H	α-helix	trans	-67.1	-36.1	177.9	-77.2	-35.8	0	0	0	112.5	C608 E609 N610 K616	C608-N612 WeakPolarHBondContact O-CB 3.42Å; C608-N612 VanDerWaalsContact O-CG 3.24Å; C608-N612 PolarHBondContact O-N 2.82Å; C608-N612 PolarHBondContact O-ND2 2.82Å; E609-N612 PolarHBondContact O-N 2.85Å; N610-N612 VanDerWaalsContact C-N 3.31Å; N610-N612 PolarHBondContact O-N 3.37Å; N612-K616 WeakPolarHBondContact O-CB 3.35Å; N612-K616 WeakPolarHBondContact O-CG 3.27Å; N612-K616 PolarHBondContact O-N 3.4Å
613	R	58.1	Low	63.2	Low	160 Å²	160	99.7 Å²	99.7	60%	0.604	51%	0.512	S	S	*	.	H	α-helix	trans	-67.1	-42.4	172.1	-80.8	-177.4	-179	-174.6	3.7	111.6	E609 N610 K616 N617	E609-R613 WeakPolarHBondContact O-CB 3.42Å; E609-R613 WeakPolarHBondContact O-CG 3.4Å; E609-R613 PolarHBondContact O-N 3.47Å; N610-R613 PolarHBondContact O-N 2.88Å; R613-K616 PolarHBondContact O-N 3.4Å; R613-N617 WeakPolarHBondContact O-CB 3.4Å; R613-N617 PolarHBondContact O-N 3.45Å
614	I	63.2	Low	61.3	Low	99 Å²	99	101 Å²	101	51%	0.508	52%	0.516	S	S	.	.	H	α-helix	trans	-62.4	-45.2	175.5	-68.3	164	0	0	0	109.8	N610 E611 N617 Q618	N610-I614 WeakPolarHBondContact O-CB 3.47Å; N610-I614 WeakPolarHBondContact O-CD1 3.18Å; N610-I614 WeakPolarHBondContact O-CG1 3.41Å; N610-I614 PolarHBondContact O-N 2.84Å; E611-I614 PolarHBondContact O-N 2.84Å; I614-N617 PolarHBondContact O-N 2.82Å; I614-Q618 WeakPolarHBondContact O-CB 3.33Å; I614-Q618 WeakPolarHBondContact O-CG 3.41Å; I614-Q618 PolarHBondContact O-N 3.33Å
615	K	64.2	Low	59.7	Low	113 Å²	113	105 Å²	105	49%	0.491	53%	0.525	S	S	.	.	H	α-helix	trans	-60.9	-43.7	174.7	-74.2	168.3	-176.8	157.9	0	112	E611 Q618 C619	E611-K615 WeakPolarHBondContact O-CB 3.4Å; E611-K615 VanDerWaalsContact O-CG 3.29Å; E611-K615 WeakPolarHBondContact O-CG 3.35Å; E611-K615 PolarHBondContact O-N 3.5Å; E611-K615 IonicContact OE2-NZ 3.26Å; E611-K615 PolarHBondContact OE2-NZ 2.98Å; K615-Q618 PolarHBondContact O-N 2.82Å; K615-C619 PolarHBondContact O-N 3.29Å
616	K	56.7	Low	58.3	Low	159 Å²	159	105.3 Å²	105.3	69%	0.691	53%	0.526	S	S	*	.	H	α-helix	trans	-64.8	-41.8	175.4	-80.8	-179.8	179.3	176	0	112.7	N612 R613 C619 S620	N612-K616 WeakPolarHBondContact O-CB 3.35Å; N612-K616 WeakPolarHBondContact O-CG 3.27Å; N612-K616 PolarHBondContact O-N 3.4Å; R613-K616 PolarHBondContact O-N 3.4Å; K616-C619 WeakPolarHBondContact O-CB 3.45Å; K616-C619 PolarHBondContact O-N 2.91Å; K616-S620 PolarHBondContact O-N 3.32Å
617	N	53.7	Low	56.9	Low	99 Å²	99	103.5 Å²	103.5	53%	0.529	53%	0.526	S	S	.	.	H	α-helix	trans	-70.5	-33.8	177.5	-76.4	-14.7	0	0	0	112.2	R613 I614 S620 L621	R613-N617 WeakPolarHBondContact O-CB 3.4Å; R613-N617 PolarHBondContact O-N 3.45Å; I614-N617 PolarHBondContact O-N 2.82Å; N617-S620 WeakPolarHBondContact CA-OG 3.46Å; N617-S620 PolarHBondContact O-N 3.42Å; N617-S620 PolarHBondContact O-OG 3.23Å; N617-L621 VanDerWaalsContact O-CB 3.27Å; N617-L621 WeakPolarHBondContact O-CB 3.42Å; N617-L621 WeakPolarHBondContact O-CD1 3.35Å; N617-L621 WeakPolarHBondContact O-CG 3.43Å; N617-L621 PolarHBondContact O-N 2.96Å
618	Q	52.4	Low	55.6	Low	114 Å²	114	104.8 Å²	104.8	53%	0.533	53%	0.529	S	S	.	.	H	α-helix	trans	-66.6	-39.2	170	-79.6	-178.5	-14.7	0	0	111.6	I614 K615 L621 N622	I614-Q618 WeakPolarHBondContact O-CB 3.33Å; I614-Q618 WeakPolarHBondContact O-CG 3.41Å; I614-Q618 PolarHBondContact O-N 3.33Å; K615-Q618 PolarHBondContact O-N 2.82Å; Q618-L621 PolarHBondContact O-N 2.91Å; Q618-N622 VanDerWaalsContact O-CB 3.26Å; Q618-N622 WeakPolarHBondContact O-CB 3.36Å; Q618-N622 VanDerWaalsContact O-CG 3.28Å; Q618-N622 PolarHBondContact O-N 2.85Å
619	C	52.3	Low	54.5	Low	91 Å²	91	103.1 Å²	103.1	62%	0.615	52%	0.523	S	S	*	.	H	α-helix	trans	-62.8	-40.5	171.8	-98.4	0	0	0	0	112.6	K615 K616 N622 S623	K615-C619 PolarHBondContact O-N 3.29Å; K616-C619 WeakPolarHBondContact O-CB 3.45Å; K616-C619 PolarHBondContact O-N 2.91Å; C619-N622 PolarHBondContact O-N 3.35Å; C619-S623 PolarHBondContact O-N 2.81Å
620	S	47.3	Very low	53.4	Low	48 Å²	48	103 Å²	103	34%	0.336	53%	0.526	S	S	.	.	H	α-helix	trans	-73.3	-34.9	177.4	70.4	0	0	0	0	113.1	K616 N617 S623 Q624	K616-S620 PolarHBondContact O-N 3.32Å; N617-S620 WeakPolarHBondContact CA-OG 3.46Å; N617-S620 PolarHBondContact O-N 3.42Å; N617-S620 PolarHBondContact O-OG 3.23Å; S620-S623 WeakPolarHBondContact CA-OG 3.47Å; S620-S623 PolarHBondContact O-N 3.25Å; S620-S623 PolarHBondContact O-OG 3.42Å; S620-Q624 WeakPolarHBondContact O-CB 3.26Å; S620-Q624 WeakPolarHBondContact O-CG 3.41Å; S620-Q624 PolarHBondContact O-N 3.28Å
621	L	48.7	Very low	52.9	Low	92 Å²	92	102.8 Å²	102.8	48%	0.482	53%	0.528	S	S	.	.	H	α-helix	trans	-68	-37.3	171.2	-81.6	159.4	0	0	0	111.5	N617 Q618 Q624 K625	N617-L621 VanDerWaalsContact O-CB 3.27Å; N617-L621 WeakPolarHBondContact O-CB 3.42Å; N617-L621 WeakPolarHBondContact O-CD1 3.35Å; N617-L621 WeakPolarHBondContact O-CG 3.43Å; N617-L621 PolarHBondContact O-N 2.96Å; Q618-L621 PolarHBondContact O-N 2.91Å; L621-Q624 PolarHBondContact O-N 2.97Å; L621-K625 WeakPolarHBondContact O-CB 3.29Å; L621-K625 WeakPolarHBondContact O-CG 3.13Å; L621-K625 PolarHBondContact O-N 3.36Å
622	N	47.2	Very low	52.1	Low	92 Å²	92	100.2 Å²	100.2	49%	0.492	53%	0.525	S	S	.	.	H	α-helix	trans	-67.6	-39.6	172.9	-78.8	-15.4	0	0	0	111.2	Q618 C619 K625 I626	Q618-N622 VanDerWaalsContact O-CB 3.26Å; Q618-N622 WeakPolarHBondContact O-CB 3.36Å; Q618-N622 VanDerWaalsContact O-CG 3.28Å; Q618-N622 PolarHBondContact O-N 2.85Å; C619-N622 PolarHBondContact O-N 3.35Å; N622-K625 PolarHBondContact O-N 2.85Å; N622-I626 WeakPolarHBondContact O-CB 3.41Å; N622-I626 WeakPolarHBondContact O-CD1 3.35Å; N622-I626 WeakPolarHBondContact O-CG1 3.43Å; N622-I626 PolarHBondContact O-N 3.44Å
623	S	48.9	Very low	51.7	Low	70 Å²	70	100.9 Å²	100.9	49%	0.49	53%	0.528	S	S	.	.	H	α-helix	trans	-68.3	-35.5	174.7	73.2	0	0	0	0	112.7	C619 S620 I626 S627	C619-S623 PolarHBondContact O-N 2.81Å; S620-S623 WeakPolarHBondContact CA-OG 3.47Å; S620-S623 PolarHBondContact O-N 3.25Å; S620-S623 PolarHBondContact O-OG 3.42Å; S623-I626 PolarHBondContact O-N 2.79Å; S623-S627 WeakPolarHBondContact O-CB 3.47Å; S623-S627 PolarHBondContact O-N 3.3Å
624	Q	43.3	Very low	51.3	Low	115 Å²	115	94.8 Å²	94.8	54%	0.537	52%	0.515	S	S	.	.	H	α-helix	trans	-67.7	-41.4	171	-79.9	-175.1	-12.2	0	0	112.4	S620 L621 I626 S627 F628	S620-Q624 WeakPolarHBondContact O-CB 3.26Å; S620-Q624 WeakPolarHBondContact O-CG 3.41Å; S620-Q624 PolarHBondContact O-N 3.28Å; L621-Q624 PolarHBondContact O-N 2.97Å; Q624-I626 VanDerWaalsContact C-N 3.33Å; Q624-I626 PolarHBondContact O-N 3.05Å; Q624-S627 WeakPolarHBondContact O-CB 3.48Å; Q624-S627 PolarHBondContact O-N 3.36Å; Q624-F628 WeakPolarHBondContact O-CB 3.27Å; Q624-F628 WeakPolarHBondContact O-CD2 3.49Å; Q624-F628 PolarHBondContact O-N 2.95Å
625	K	48.8	Very low	51.1	Low	149 Å²	149	96 Å²	96	65%	0.648	52%	0.522	S	S	*	.	H	α-helix	trans	-64.2	-37	173.7	-79.8	-178.4	178.2	-178.9	0	112.1	L621 N622 G629	L621-K625 WeakPolarHBondContact O-CB 3.29Å; L621-K625 WeakPolarHBondContact O-CG 3.13Å; L621-K625 PolarHBondContact O-N 3.36Å; N622-K625 PolarHBondContact O-N 2.85Å; K625-G629 PolarHBondContact O-N 3.43Å
626	I	52.6	Low	50.6	Low	109 Å²	109	97.9 Å²	97.9	56%	0.559	53%	0.53	S	S	*	.	H	α-helix	trans	-66.4	-41.7	173.2	-68.6	162	0	0	0	110.2	N622 S623 Q624 G629 L630	N622-I626 WeakPolarHBondContact O-CB 3.41Å; N622-I626 WeakPolarHBondContact O-CD1 3.35Å; N622-I626 WeakPolarHBondContact O-CG1 3.43Å; N622-I626 PolarHBondContact O-N 3.44Å; S623-I626 PolarHBondContact O-N 2.79Å; Q624-I626 VanDerWaalsContact C-N 3.33Å; Q624-I626 PolarHBondContact O-N 3.05Å; I626-G629 PolarHBondContact O-N 2.82Å; I626-L630 HydrophobicContact CG2-CD1 3.9Å; I626-L630 WeakPolarHBondContact O-CB 3.19Å; I626-L630 WeakPolarHBondContact O-CG 3.43Å; I626-L630 PolarHBondContact O-N 3.11Å
627	S	44.5	Very low	50.6	Low	70 Å²	70	94.6 Å²	94.6	49%	0.49	52%	0.52	S	S	.	.	H	α-helix	trans	-61.3	-52.2	174.8	-176.6	0	0	0	0	111.6	S623 Q624 G629 L630 T631	S623-S627 WeakPolarHBondContact O-CB 3.47Å; S623-S627 PolarHBondContact O-N 3.3Å; Q624-S627 WeakPolarHBondContact O-CB 3.48Å; Q624-S627 PolarHBondContact O-N 3.36Å; S627-G629 VanDerWaalsContact C-N 3.32Å; S627-G629 PolarHBondContact O-N 3.46Å; S627-L630 PolarHBondContact O-N 2.89Å; S627-L630 VanDerWaalsContact O-N 3.15Å; S627-T631 PolarHBondContact O-N 2.86Å; S627-T631 PolarHBondContact O-OG1 3.02Å
628	F	47.3	Very low	50.5	Low	152 Å²	152	95.7 Å²	95.7	67%	0.667	53%	0.525	S	S	*	.	H	α-helix	trans	-61.5	-37.4	176	-91.6	-81.8	0	0	0	112.9	Q624 T631 A632	Q624-F628 WeakPolarHBondContact O-CB 3.27Å; Q624-F628 WeakPolarHBondContact O-CD2 3.49Å; Q624-F628 PolarHBondContact O-N 2.95Å; F628-T631 PolarHBondContact O-N 3.06Å; F628-A632 VanDerWaalsContact O-CB 3.29Å; F628-A632 WeakPolarHBondContact O-CB 3.25Å; F628-A632 PolarHBondContact O-N 3.24Å
629	G	46.2	Very low	50.6	Low	31 Å²	31	92.5 Å²	92.5	32%	0.32	52%	0.523	S	S	.	.	H	α-helix	trans	-63.2	-41.9	173.9	0	0	0	0	0	112.1	K625 I626 S627 A632 I633	K625-G629 PolarHBondContact O-N 3.43Å; I626-G629 PolarHBondContact O-N 2.82Å; S627-G629 VanDerWaalsContact C-N 3.32Å; S627-G629 PolarHBondContact O-N 3.46Å; G629-A632 PolarHBondContact O-N 2.97Å; G629-I633 WeakPolarHBondContact O-CB 3.48Å; G629-I633 WeakPolarHBondContact O-CD1 3.41Å; G629-I633 WeakPolarHBondContact O-CG1 3.5Å; G629-I633 PolarHBondContact O-N 3.2Å
630	L	50.1	Low	50.6	Low	116 Å²	116	92.9 Å²	92.9	61%	0.607	52%	0.518	S	S	*	.	H	α-helix	trans	-68.1	-38.9	175.7	-79.9	160.8	0	0	0	112.3	I626 S627 G634	I626-L630 HydrophobicContact CG2-CD1 3.9Å; I626-L630 WeakPolarHBondContact O-CB 3.19Å; I626-L630 WeakPolarHBondContact O-CG 3.43Å; I626-L630 PolarHBondContact O-N 3.11Å; S627-L630 PolarHBondContact O-N 2.89Å; S627-L630 VanDerWaalsContact O-N 3.15Å; L630-G634 PolarHBondContact O-N 3.42Å
631	T	53.9	Low	50.7	Low	80 Å²	80	98 Å²	98	49%	0.491	54%	0.535	S	S	.	.	H	α-helix	trans	-67.1	-39.5	174.1	-4.4	0	0	0	0	111.9	S627 F628 G634 L635	S627-T631 PolarHBondContact O-N 2.86Å; S627-T631 PolarHBondContact O-OG1 3.02Å; F628-T631 PolarHBondContact O-N 3.06Å; T631-G634 PolarHBondContact O-N 3.37Å; T631-L635 WeakPolarHBondContact O-CB 3.49Å; T631-L635 PolarHBondContact O-N 3.17Å
632	A	49.7	Very low	51	Low	57 Å²	57	97.7 Å²	97.7	47%	0.471	54%	0.536	S	S	.	.	H	α-helix	trans	-66.8	-42.3	177.2	0	0	0	0	0	112.1	F628 G629 L635 F636	F628-A632 VanDerWaalsContact O-CB 3.29Å; F628-A632 WeakPolarHBondContact O-CB 3.25Å; F628-A632 PolarHBondContact O-N 3.24Å; G629-A632 PolarHBondContact O-N 2.97Å; A632-L635 PolarHBondContact O-N 2.95Å; A632-F636 WeakPolarHBondContact O-CB 3.49Å; A632-F636 PolarHBondContact O-N 3.25Å
633	I	56.7	Low	50.9	Low	102 Å²	102	95.5 Å²	95.5	52%	0.523	54%	0.536	S	S	.	.	H	α-helix	trans	-65.1	-40.5	174.3	-68	164.3	0	0	0	110.5	G629 L635 F636 L637	G629-I633 WeakPolarHBondContact O-CB 3.48Å; G629-I633 WeakPolarHBondContact O-CD1 3.41Å; G629-I633 WeakPolarHBondContact O-CG1 3.5Å; G629-I633 PolarHBondContact O-N 3.2Å; I633-L635 PolarHBondContact O-N 2.79Å; I633-F636 PolarHBondContact O-N 3.2Å; I633-L637 HydrophobicContact CG2-CD1 3.85Å; I633-L637 HydrophobicContact CG2-CG 4.38Å; I633-L637 WeakPolarHBondContact O-CB 3.4Å; I633-L637 WeakPolarHBondContact O-CG 3.49Å; I633-L637 PolarHBondContact O-N 3.23Å
634	G	50.3	Low	50.7	Low	33 Å²	33	99.7 Å²	99.7	34%	0.34	55%	0.547	S	S	.	.	H	α-helix	trans	-60.6	-43.4	175.2	0	0	0	0	0	113	L630 T631 L638	L630-G634 PolarHBondContact O-N 3.42Å; T631-G634 PolarHBondContact O-N 3.37Å; G634-L638 PolarHBondContact O-N 3.37Å
635	L	57.4	Low	50.8	Low	125 Å²	125	105.1 Å²	105.1	65%	0.654	56%	0.563	S	S	*	*	H	α-helix	trans	-67.4	-39	175.8	-81.7	160.6	0	0	0	112.5	T631 A632 I633 L638 G639	T631-L635 WeakPolarHBondContact O-CB 3.49Å; T631-L635 PolarHBondContact O-N 3.17Å; A632-L635 PolarHBondContact O-N 2.95Å; I633-L635 PolarHBondContact O-N 2.79Å; L635-L638 PolarHBondContact O-N 3.24Å; L635-G639 PolarHBondContact O-N 2.98Å
636	F	55.5	Low	50.4	Low	151 Å²	151	105 Å²	105	66%	0.662	57%	0.568	S	S	*	*	H	α-helix	trans	-67.8	-40.3	178.2	-157.7	-93.2	0	0	0	112	A632 I633 G639 L640	A632-F636 WeakPolarHBondContact O-CB 3.49Å; A632-F636 PolarHBondContact O-N 3.25Å; I633-F636 PolarHBondContact O-N 3.2Å; F636-G639 PolarHBondContact O-N 3.06Å; F636-L640 HydrophobicContact CD1-CD1 3.9Å; F636-L640 HydrophobicContact CD1-CG 4.44Å; F636-L640 HydrophobicContact CE1-CD1 3.93Å; F636-L640 HydrophobicContact CE1-CG 4.4Å; F636-L640 PolarHBondContact O-N 3.29Å; F636-L640 VanDerWaalsContact O-N 3.08Å
637	L	54.9	Low	49.6	Very low	91 Å²	91	111.8 Å²	111.8	48%	0.476	59%	0.594	S	S	.	*	H	α-helix	trans	-66.1	-39.2	174.3	-73.3	169.6	0	0	0	111.8	I633 G639 L640 F641	I633-L637 HydrophobicContact CG2-CD1 3.85Å; I633-L637 HydrophobicContact CG2-CG 4.38Å; I633-L637 WeakPolarHBondContact O-CB 3.4Å; I633-L637 WeakPolarHBondContact O-CG 3.49Å; I633-L637 PolarHBondContact O-N 3.23Å; L637-G639 VanDerWaalsContact C-N 3.32Å; L637-G639 PolarHBondContact O-N 3.17Å; L637-L640 PolarHBondContact O-N 3.18Å; L637-F641 WeakPolarHBondContact O-CD2 3.36Å; L637-F641 PolarHBondContact O-N 2.83Å
638	L	52.4	Low	49.9	Very low	122 Å²	122	113.9 Å²	113.9	64%	0.639	60%	0.599	S	S	*	*	H	α-helix	trans	-61.2	-41.1	172.7	-116	108.2	0	0	0	111.8	G634 L635 L640 F641 V642	G634-L638 PolarHBondContact O-N 3.37Å; L635-L638 PolarHBondContact O-N 3.24Å; L638-L640 VanDerWaalsContact C-N 3.35Å; L638-L640 PolarHBondContact O-N 3.34Å; L638-F641 PolarHBondContact O-N 3.34Å; L638-V642 WeakPolarHBondContact O-CG2 3.4Å; L638-V642 PolarHBondContact O-N 3.33Å
639	G	53.8	Low	50	Low	47 Å²	47	111.9 Å²	111.9	49%	0.485	60%	0.595	S	S	.	*	H	α-helix	trans	-61.3	-39.6	175.9	0	0	0	0	0	113.3	L635 F636 L637 G643	L635-G639 PolarHBondContact O-N 2.98Å; F636-G639 PolarHBondContact O-N 3.06Å; L637-G639 VanDerWaalsContact C-N 3.32Å; L637-G639 PolarHBondContact O-N 3.17Å; G639-G643 PolarHBondContact O-N 3.13Å
640	L	52.8	Low	50.2	Low	99 Å²	99	116.4 Å²	116.4	52%	0.518	61%	0.61	S	S	.	*	H	α-helix	trans	-68.8	-38.9	176.7	-74.7	167.7	0	0	0	112.6	F636 L637 L638 G643 Q644	F636-L640 HydrophobicContact CD1-CD1 3.9Å; F636-L640 HydrophobicContact CD1-CG 4.44Å; F636-L640 HydrophobicContact CE1-CD1 3.93Å; F636-L640 HydrophobicContact CE1-CG 4.4Å; F636-L640 PolarHBondContact O-N 3.29Å; F636-L640 VanDerWaalsContact O-N 3.08Å; L637-L640 PolarHBondContact O-N 3.18Å; L638-L640 VanDerWaalsContact C-N 3.35Å; L638-L640 PolarHBondContact O-N 3.34Å; L640-G643 PolarHBondContact O-N 2.94Å; L640-Q644 PolarHBondContact O-N 3.22Å
641	F	49.9	Very low	50.2	Low	154 Å²	154	116.4 Å²	116.4	68%	0.675	61%	0.611	S	S	*	*	H	α-helix	trans	-69.5	-33.6	177	-92	-77.4	0	0	0	113.1	L637 L638	L637-F641 WeakPolarHBondContact O-CD2 3.36Å; L637-F641 PolarHBondContact O-N 2.83Å; L638-F641 PolarHBondContact O-N 3.34Å
642	V	54.5	Low	50	Low	86 Å²	86	118.7 Å²	118.7	52%	0.521	62%	0.618	S	S	.	*	H	α-helix	trans	-74.4	-37.2	174.8	177.7	0	0	0	0	111	L638 Q644 R645 I646	L638-V642 WeakPolarHBondContact O-CG2 3.4Å; L638-V642 PolarHBondContact O-N 3.33Å; V642-Q644 VanDerWaalsContact C-N 3.32Å; V642-Q644 PolarHBondContact O-N 3.42Å; V642-R645 PolarHBondContact O-N 3.15Å; V642-I646 HydrophobicContact CG1-CD1 4.47Å
643	G	45	Very low	50	Low	46 Å²	46	122.8 Å²	122.8	47%	0.474	63%	0.628	S	S	.	*	H	α-helix	trans	-65.3	-29	177.9	0	0	0	0	0	114.6	G639 L640	G639-G643 PolarHBondContact O-N 3.13Å; L640-G643 PolarHBondContact O-N 2.94Å
644	Q	45	Very low	49.5	Very low	158 Å²	158	124.3 Å²	124.3	74%	0.738	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.3	-8.2	177.3	-80.5	-170.3	-17.3	0	0	114.8	L640 V642	L640-Q644 PolarHBondContact O-N 3.22Å; V642-Q644 VanDerWaalsContact C-N 3.32Å; V642-Q644 PolarHBondContact O-N 3.42Å
645	R	44.7	Very low	49.5	Very low	230 Å²	230	131.3 Å²	131.3	87%	0.868	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.6	-2.1	174.8	-93.7	-174.4	173.6	-177	-1	114.5	V642	V642-R645 PolarHBondContact O-N 3.15Å
646	I	40.9	Very low	48.8	Very low	145 Å²	145	131.8 Å²	131.8	74%	0.744	66%	0.658	S	S	*	*			trans	-108.2	6.4	-178.4	-59.9	176.8	0	0	0	112.2	V642	V642-I646 HydrophobicContact CG1-CD1 4.47Å
647	K	36.3	Very low	48.2	Very low	253 Å²	253	130.1 Å²	130.1	100%	1.1	66%	0.658	S	S	*	*			trans	-112.7	0	161.7	-79.8	-175.2	176	-179.1	0	108.8

Retrieved 647 of 647 residues in 895.2 ms (Link to these results)

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