A0A077ZDZ3_TRITR Loading...

Protein kinase C and casein kinase substrate

Plays a role in endocytosis and regulates internalization of plasma membrane proteins. Overexpression impairs internalization of SLC2A1/GLUT1 and TRPV4 and increases the levels of SLC2A1/GLUT1 and TRPV4 at the cell membrane. Inhibits the TRPV4 calcium channel activity.

AlphaFold DB , UniProt , Accession A0A077ZDZ3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 454 aa.

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(Predicted Aligned Error values between residue pairs)

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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	39.8	Very low	39	Very low	234 Å²	234	155.9 Å²	155.9	100%	1.153	83%	0.833	S	S	*	*				0	106.5	0	-69.8	-71.6	-170.6	0	0	107.1
2	P	45.2	Very low	38.4	Very low	127 Å²	127	156.1 Å²	156.1	83%	0.825	83%	0.834	S	S	*	*			trans	-78.5	147.7	-170.6	32.2	-31.6	0	0	0	111.7	M4	P2-M4 PolarHBondContact O-N 3.14Å
3	H	41.4	Very low	38.3	Very low	179 Å²	179	155.6 Å²	155.6	83%	0.829	84%	0.84	S	S	*	*			trans	-50.3	121.4	178.3	-80.7	-92.6	0	0	0	113.1	E5	H3-E5 PolarHBondContact O-N 3.34Å
4	M	41.9	Very low	38	Very low	185 Å²	185	147.7 Å²	147.7	91%	0.911	81%	0.813	S	S	*	*			trans	-84.9	93.6	153.8	-98.3	-177.8	175.9	0	0	107.6	P2 T6	P2-M4 PolarHBondContact O-N 3.14Å; M4-T6 PolarHBondContact O-N 3.09Å
5	E	39	Very low	38	Very low	176 Å²	176	145.2 Å²	145.2	82%	0.822	82%	0.819	S	S	*	*			trans	-73.6	103.9	158.4	-77	179.3	158.3	0	0	107.6	H3 S7	H3-E5 PolarHBondContact O-N 3.34Å; E5-S7 PolarHBondContact O-N 3.13Å; E5-S7 VanDerWaalsContact O-N 3.08Å
6	T	37	Very low	38.5	Very low	123 Å²	123	140.6 Å²	140.6	76%	0.755	80%	0.799	S	S	*	*			trans	-74	95.4	165.6	33.3	0	0	0	0	108.2	M4 I8	M4-T6 PolarHBondContact O-N 3.09Å; T6-I8 PolarHBondContact O-N 3.16Å; T6-I8 VanDerWaalsContact O-N 3.12Å
7	S	37.6	Very low	39.6	Very low	114 Å²	114	138.1 Å²	138.1	80%	0.797	79%	0.792	S	S	*	*			trans	-55.1	108	161.6	173.6	0	0	0	0	108.8	E5 S9	E5-S7 PolarHBondContact O-N 3.13Å; E5-S7 VanDerWaalsContact O-N 3.08Å; S7-S9 PolarHBondContact O-N 3Å
8	I	38.4	Very low	41.7	Very low	151 Å²	151	135.9 Å²	135.9	77%	0.774	77%	0.774	S	S	*	*			trans	-84.7	107.3	164.7	-64.4	173.8	0	0	0	105.4	T6 E10	T6-I8 PolarHBondContact O-N 3.16Å; T6-I8 VanDerWaalsContact O-N 3.12Å; I8-E10 PolarHBondContact O-N 2.85Å
9	S	36	Very low	44.5	Very low	89 Å²	89	131.4 Å²	131.4	62%	0.622	75%	0.752	S	S	*	*			trans	-53.6	113.9	171.8	49.9	0	0	0	0	110.7	S7 D11	S7-S9 PolarHBondContact O-N 3Å; S9-D11 VanDerWaalsContact C-N 3.26Å; S9-D11 PolarHBondContact O-N 3.3Å
10	E	36.3	Very low	47.1	Very low	190 Å²	190	127.4 Å²	127.4	89%	0.888	73%	0.726	S	S	*	*			trans	-73.1	80	162.5	-75.4	-175.1	148.3	0	0	108.8	I8	I8-E10 PolarHBondContact O-N 2.85Å
11	D	36.8	Very low	49.4	Very low	147 Å²	147	125.7 Å²	125.7	79%	0.786	71%	0.708	S	S	*	*			trans	-139.7	118.3	167.1	-84.9	-45.9	0	0	0	110.1	S9	S9-D11 VanDerWaalsContact C-N 3.26Å; S9-D11 PolarHBondContact O-N 3.3Å
12	N	31.1	Very low	52.1	Low	158 Å²	158	118.8 Å²	118.8	85%	0.845	67%	0.673	S	S	*	*			trans	81.6	59.8	158.1	-134.7	13.1	0	0	0	118.5	G14	N12-G14 PolarHBondContact O-N 2.69Å; N12-G14 VanDerWaalsContact O-N 3.1Å
13	V	36.7	Very low	54.5	Low	150 Å²	150	116 Å²	116	91%	0.909	65%	0.65	S	S	*	*			trans	-80.7	79.7	155.5	-172.2	0	0	0	0	108.3	A15	V13-A15 PolarHBondContact O-N 3.29Å
14	G	34	Very low	57	Low	45 Å²	45	108.2 Å²	108.2	46%	0.464	62%	0.619	S	S	.	*			trans	-52.2	133.4	161	0	0	0	0	0	108.5	N12 S16	N12-G14 PolarHBondContact O-N 2.69Å; N12-G14 VanDerWaalsContact O-N 3.1Å; G14-S16 PolarHBondContact O-N 3.17Å
15	A	38.1	Very low	59.6	Low	110 Å²	110	102.3 Å²	102.3	91%	0.909	59%	0.589	S	S	*	*			trans	-64.8	72.2	178	0	0	0	0	0	110.6	V13	V13-A15 PolarHBondContact O-N 3.29Å
16	S	46.2	Very low	62.4	Low	71 Å²	71	94.5 Å²	94.5	50%	0.497	55%	0.552	S	S	.	*			trans	-75.5	162.1	163.3	67.7	0	0	0	0	108.4	G14 E18	G14-S16 PolarHBondContact O-N 3.17Å; S16-E18 PolarHBondContact O-N 2.97Å
17	S	57.3	Low	65.3	Low	98 Å²	98	94.9 Å²	94.9	69%	0.685	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	21.6	-175	56	0	0	0	0	116.3	Q25	S17-Q25 PolarHBondContact O-NE2 3.47Å
18	E	78.2	Confident	68.1	Low	99 Å²	99	95.9 Å²	95.9	46%	0.463	53%	0.529	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.9	4.3	-168.2	-56.9	-156.1	155.7	0	0	114.5	S16 R28	S16-E18 PolarHBondContact O-N 2.97Å; E18-R28 IonicContact OE1-NH2 2.72Å; E18-R28 PolarHBondContact OE1-NH2 3.45Å; E18-R28 IonicContact OE2-CZ 3.21Å; E18-R28 IonicContact OE2-NH1 2.76Å; E18-R28 PolarHBondContact OE2-NH1 2.97Å; E18-R28 IonicContact OE2-NH2 3.53Å; E18-R28 PolarHBondContact OE2-NH2 3.25Å
19	S	93.9	Very high	70.9	Confident	51 Å²	51	89.1 Å²	89.1	36%	0.357	50%	0.496	S	S	.	.			trans	-59.2	138.9	177.4	175.2	0	0	0	0	111.5	W21 E22 Q25	S19-W21 PolarHBondContact O-N 3.35Å; S19-W21 PolarHBondContact OG-N 3.42Å; S19-E22 WeakPolarHBondContact O-CB 3.37Å; S19-E22 PolarHBondContact O-N 2.78Å; S19-Q25 WeakPolarHBondContact O-CB 3.46Å; S19-Q25 WeakPolarHBondContact O-CG 3.4Å
20	F	96.3	Very high	73.8	Confident	51 Å²	51	85.5 Å²	85.5	22%	0.224	47%	0.47	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.6	-31	175.6	168.7	-98.2	0	0	0	113.2	E22 F140 M228 F232	F20-E22 VanDerWaalsContact C-N 3.29Å; F20-E22 PolarHBondContact O-N 3.39Å; F20-F140 HydrophobicContact CE2-CE1 4.18Å; F20-F140 HydrophobicContact CE2-CZ 4.38Å; F20-F140 AromaticContact CZ-CE1 3.94Å; F20-F140 HydrophobicContact CZ-CE1 3.94Å; F20-F140 HydrophobicContact CZ-CZ 4.49Å; F20-M228 HydrophobicContact CE1-CB 4.26Å; F20-M228 HydrophobicContact CE1-CE 4.09Å; F20-M228 HydrophobicContact CE2-CE 4.41Å; F20-M228 HydrophobicContact CZ-CB 4.43Å; F20-M228 HydrophobicContact CZ-CE 3.78Å; F20-F232 AromaticContact CE2-CD2 3.94Å; F20-F232 HydrophobicContact CE2-CD2 3.94Å; F20-F232 HydrophobicContact CZ-CB 4.28Å; F20-F232 HydrophobicContact CZ-CD2 4.25Å; F20-F232 HydrophobicContact CZ-CG 4.48Å
21	W	96.4	Very high	76.7	Confident	91 Å²	91	82.5 Å²	82.5	35%	0.345	45%	0.454	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-15.1	-177.7	-58.6	112.6	0	0	0	113.8	S19 Y224 Q225 M228 I229	S19-W21 PolarHBondContact O-N 3.35Å; S19-W21 PolarHBondContact OG-N 3.42Å; W21-Y224 AromaticContact CE3-CE1 3.9Å; W21-Y224 HydrophobicContact CE3-CE1 3.9Å; W21-Y224 HydrophobicContact CZ3-CE1 4.41Å; W21-Y224 PolarHBondContact O-OH 3.4Å; W21-Q225 HydrophobicContact CE3-CG 4.41Å; W21-Q225 HydrophobicContact CH2-CB 4.14Å; W21-Q225 HydrophobicContact CH2-CG 4.01Å; W21-Q225 HydrophobicContact CZ3-CB 4.17Å; W21-Q225 HydrophobicContact CZ3-CG 3.87Å; W21-M228 HydrophobicContact CZ3-CB 3.95Å; W21-M228 HydrophobicContact CZ3-CG 4.45Å; W21-I229 HydrophobicContact CH2-CD1 4.1Å; W21-I229 HydrophobicContact CH2-CG1 3.92Å
22	E	95.4	Very high	79.6	Confident	90 Å²	90	78.9 Å²	78.9	42%	0.421	43%	0.429	S	S	.	.	S	Bend	trans	-67.1	149.8	174.1	-69	-59.7	151.5	0	0	111.1	S19 F20 G24 Q25	S19-E22 WeakPolarHBondContact O-CB 3.37Å; S19-E22 PolarHBondContact O-N 2.78Å; F20-E22 VanDerWaalsContact C-N 3.29Å; F20-E22 PolarHBondContact O-N 3.39Å; E22-G24 PolarHBondContact O-N 3.25Å; E22-G24 VanDerWaalsContact O-N 3.11Å; E22-Q25 HydrophobicContact CB-CB 4.28Å; E22-Q25 HydrophobicContact CB-CG 3.58Å; E22-Q25 PolarHBondContact O-N 3.41Å
23	I	95.6	Very high	82.7	Confident	67 Å²	67	71.9 Å²	71.9	34%	0.344	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	120	-175.1	-63.8	172.7	0	0	0	109.9	Q25 V148 Y151	I23-Q25 PolarHBondContact O-N 3.25Å; I23-V148 HydrophobicContact CD1-CG2 4.16Å; I23-V148 HydrophobicContact CG1-CG2 4.28Å; I23-V148 HydrophobicContact CG2-CG2 3.78Å; I23-Y151 HydrophobicContact CD1-CD1 3.53Å; I23-Y151 HydrophobicContact CD1-CE1 4.13Å; I23-Y151 HydrophobicContact CD1-CG 3.92Å
24	G	95.6	Very high	85.5	Confident	17 Å²	17	67.7 Å²	67.7	18%	0.175	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	81.3	-5.2	-178.9	0	0	0	0	0	117.1	E22 Y26 K27	E22-G24 PolarHBondContact O-N 3.25Å; E22-G24 VanDerWaalsContact O-N 3.11Å; G24-Y26 PolarHBondContact O-N 3Å; G24-K27 WeakPolarHBondContact O-CB 3.25Å; G24-K27 WeakPolarHBondContact O-CG 3.22Å; G24-K27 PolarHBondContact O-N 3.29Å
25	Q	96.7	Very high	88.5	Confident	61 Å²	61	68.5 Å²	68.5	29%	0.285	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-10.6	-178.5	-67.9	-58.7	-12.9	0	0	114.2	S17 S19 E22 I23 K27 R28	S17-Q25 PolarHBondContact O-NE2 3.47Å; S19-Q25 WeakPolarHBondContact O-CB 3.46Å; S19-Q25 WeakPolarHBondContact O-CG 3.4Å; E22-Q25 HydrophobicContact CB-CB 4.28Å; E22-Q25 HydrophobicContact CB-CG 3.58Å; E22-Q25 PolarHBondContact O-N 3.41Å; I23-Q25 PolarHBondContact O-N 3.25Å; Q25-K27 PolarHBondContact O-N 3.45Å; Q25-K27 VanDerWaalsContact O-N 3.08Å; Q25-R28 PolarHBondContact O-N 3.04Å
26	Y	97.4	Very high	91.3	Very high	11 Å²	11	63.3 Å²	63.3	4%	0.043	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-15.7	168.4	67.7	-102.6	0	0	0	113.2	G24 R28 A29 V30 D137 F140 K141 M228	G24-Y26 PolarHBondContact O-N 3Å; Y26-R28 PolarHBondContact O-N 2.87Å; Y26-R28 VanDerWaalsContact O-N 3.09Å; Y26-A29 WeakPolarHBondContact O-CA 3.42Å; Y26-A29 WeakPolarHBondContact O-CB 3.41Å; Y26-A29 PolarHBondContact O-N 2.96Å; Y26-V30 HydrophobicContact CD2-CG2 3.98Å; Y26-V30 HydrophobicContact CE2-CG2 4.2Å; Y26-V30 PolarHBondContact O-N 3.23Å; Y26-D137 WeakPolarHBondContact CE2-OD1 3.4Å; Y26-D137 PolarHBondContact OH-OD1 2.99Å; Y26-F140 HydrophobicContact CD1-CB 3.95Å; Y26-F140 HydrophobicContact CD1-CG 4.34Å; Y26-F140 HydrophobicContact CD2-CB 3.31Å; Y26-F140 HydrophobicContact CD2-CD1 4.21Å; Y26-F140 AromaticContact CD2-CD2 3.44Å; Y26-F140 HydrophobicContact CD2-CD2 3.44Å; Y26-F140 VanDerWaalsContact CD2-CD2 3.44Å; Y26-F140 HydrophobicContact CD2-CE2 4.24Å; Y26-F140 AromaticContact CD2-CG 3.41Å; Y26-F140 HydrophobicContact CD2-CG 3.41Å; Y26-F140 VanDerWaalsContact CD2-CG 3.41Å; Y26-F140 HydrophobicContact CE1-CB 3.97Å; Y26-F140 HydrophobicContact CE2-CB 3.38Å; Y26-F140 HydrophobicContact CE2-CD2 4.12Å; Y26-F140 HydrophobicContact CE2-CG 4Å; Y26-F140 HydrophobicContact CG-CB 3.64Å; Y26-F140 AromaticContact CG-CD1 3.96Å; Y26-F140 HydrophobicContact CG-CD1 3.96Å; Y26-F140 HydrophobicContact CG-CD2 4.01Å; Y26-F140 AromaticContact CG-CG 3.63Å; Y26-F140 HydrophobicContact CG-CG 3.63Å; Y26-K141 WeakPolarHBondContact OH-CG 3.31Å; Y26-M228 HydrophobicContact CD1-CE 4Å; Y26-M228 HydrophobicContact CG-CE 4.27Å
27	K	97	Very high	93.6	Very high	131 Å²	131	60.3 Å²	60.3	57%	0.57	29%	0.294	S	S	*	.	H	α-helix	trans	-54.3	-27.5	177.5	-77.4	176.5	-178.7	-178.5	0	113.4	G24 Q25 A29 V30 K31	G24-K27 WeakPolarHBondContact O-CB 3.25Å; G24-K27 WeakPolarHBondContact O-CG 3.22Å; G24-K27 PolarHBondContact O-N 3.29Å; Q25-K27 PolarHBondContact O-N 3.45Å; Q25-K27 VanDerWaalsContact O-N 3.08Å; K27-A29 VanDerWaalsContact C-N 3.29Å; K27-A29 PolarHBondContact O-N 2.96Å; K27-V30 PolarHBondContact O-N 2.94Å; K27-K31 WeakPolarHBondContact O-CB 3.45Å; K27-K31 PolarHBondContact O-N 2.84Å
28	R	96.4	Very high	95.5	Very high	136 Å²	136	61.8 Å²	61.8	51%	0.513	29%	0.288	S	S	.	.	H	α-helix	trans	-60	-39.4	172.4	-66.3	179.9	177.3	-173.9	-6.3	111.8	E18 Q25 Y26 R32	E18-R28 IonicContact OE1-NH2 2.72Å; E18-R28 PolarHBondContact OE1-NH2 3.45Å; E18-R28 IonicContact OE2-CZ 3.21Å; E18-R28 IonicContact OE2-NH1 2.76Å; E18-R28 PolarHBondContact OE2-NH1 2.97Å; E18-R28 IonicContact OE2-NH2 3.53Å; E18-R28 PolarHBondContact OE2-NH2 3.25Å; Q25-R28 PolarHBondContact O-N 3.04Å; Y26-R28 PolarHBondContact O-N 2.87Å; Y26-R28 VanDerWaalsContact O-N 3.09Å; R28-R32 PolarHBondContact O-N 2.76Å
29	A	97	Very high	96.5	Very high	8 Å²	8	60.3 Å²	60.3	7%	0.066	28%	0.283	C	S	.	.	H	α-helix	trans	-71.1	-37.3	176.8	0	0	0	0	0	112.4	Y26 K27 R32 F140 F232	Y26-A29 WeakPolarHBondContact O-CA 3.42Å; Y26-A29 WeakPolarHBondContact O-CB 3.41Å; Y26-A29 PolarHBondContact O-N 2.96Å; K27-A29 VanDerWaalsContact C-N 3.29Å; K27-A29 PolarHBondContact O-N 2.96Å; A29-R32 PolarHBondContact O-N 3.4Å; A29-F140 HydrophobicContact CB-CE2 4.22Å; A29-F140 HydrophobicContact CB-CZ 4.3Å; A29-F232 HydrophobicContact CB-CD2 4.01Å; A29-F232 HydrophobicContact CB-CE2 4.02Å
30	V	97.4	Very high	96.7	Very high	13 Å²	13	58 Å²	58	8%	0.079	27%	0.267	C	S	.	.	H	α-helix	trans	-62.8	-50.2	173.5	176.6	0	0	0	0	110.2	Y26 K27 R32 I33 S133 V136 D137 F140	Y26-V30 HydrophobicContact CD2-CG2 3.98Å; Y26-V30 HydrophobicContact CE2-CG2 4.2Å; Y26-V30 PolarHBondContact O-N 3.23Å; K27-V30 PolarHBondContact O-N 2.94Å; V30-R32 PolarHBondContact O-N 2.99Å; V30-I33 WeakPolarHBondContact O-CB 3.44Å; V30-I33 PolarHBondContact O-N 3.07Å; V30-S133 WeakPolarHBondContact CG1-OG 3.43Å; V30-V136 HydrophobicContact CG2-CG1 4.19Å; V30-D137 HydrophobicContact CG1-CB 4.03Å; V30-D137 HydrophobicContact CG2-CB 4.02Å; V30-F140 HydrophobicContact CG2-CD2 3.92Å; V30-F140 HydrophobicContact CG2-CE2 4.25Å
31	K	96.9	Very high	96.8	Very high	127 Å²	127	58.6 Å²	58.6	55%	0.552	28%	0.277	S	S	*	.	H	α-helix	trans	-54.9	-38.2	179.2	-171.8	-169.8	172.6	-170.5	0	112.2	K27 I33 D34 D35	K27-K31 WeakPolarHBondContact O-CB 3.45Å; K27-K31 PolarHBondContact O-N 2.84Å; K31-I33 PolarHBondContact O-N 2.99Å; K31-I33 VanDerWaalsContact O-N 3.16Å; K31-D34 WeakPolarHBondContact O-CB 3.35Å; K31-D34 PolarHBondContact O-N 2.84Å; K31-D35 PolarHBondContact O-N 2.85Å
32	R	97.4	Very high	96.9	Very high	72 Å²	72	57.6 Å²	57.6	27%	0.272	28%	0.279	S	S	.	.	H	α-helix	trans	-58.2	-29.4	177.8	-161.6	179.4	73.6	-161.3	-3.6	113.1	R28 A29 V30 G36 C235 Q236 E239	R28-R32 PolarHBondContact O-N 2.76Å; A29-R32 PolarHBondContact O-N 3.4Å; V30-R32 PolarHBondContact O-N 2.99Å; R32-G36 PolarHBondContact O-N 2.8Å; R32-G36 VanDerWaalsContact O-N 3.11Å; R32-C235 PolarHBondContact NH2-O 3.39Å; R32-Q236 VanDerWaalsContact CZ-OE1 3.23Å; R32-E239 VanDerWaalsContact NH2-CB 3.3Å
33	I	96.5	Very high	97	Very high	10 Å²	10	54 Å²	54	5%	0.051	26%	0.262	C	S	.	.	H	α-helix	trans	-70.3	-43.8	175.3	-59.2	175.6	0	0	0	110.4	V30 K31 G36 F122 E132 V136 K238	V30-I33 WeakPolarHBondContact O-CB 3.44Å; V30-I33 PolarHBondContact O-N 3.07Å; K31-I33 PolarHBondContact O-N 2.99Å; K31-I33 VanDerWaalsContact O-N 3.16Å; I33-G36 PolarHBondContact O-N 2.8Å; I33-F122 HydrophobicContact CG2-CD1 4.48Å; I33-F122 HydrophobicContact CG2-CE1 4.17Å; I33-E132 HydrophobicContact CG2-CB 4.09Å; I33-V136 HydrophobicContact CD1-CB 3.86Å; I33-V136 HydrophobicContact CD1-CG1 3.98Å; I33-V136 HydrophobicContact CD1-CG2 3.66Å; I33-K238 HydrophobicContact CD1-CD 4.36Å
34	D	94.9	Very high	97.1	Very high	62 Å²	62	51.4 Å²	51.4	33%	0.332	25%	0.249	S	C	.	.	H	α-helix	trans	-65.7	-42.6	176.4	-65	-47.9	0	0	0	111.5	K31 G36 V37 K38 S133	K31-D34 WeakPolarHBondContact O-CB 3.35Å; K31-D34 PolarHBondContact O-N 2.84Å; D34-G36 PolarHBondContact O-N 3.31Å; D34-V37 WeakPolarHBondContact O-CB 3.3Å; D34-V37 PolarHBondContact O-N 3.48Å; D34-V37 VanDerWaalsContact O-N 3.08Å; D34-K38 PolarHBondContact O-N 2.94Å; D34-S133 VanDerWaalsContact CG-OG 3.26Å; D34-S133 WeakPolarHBondContact OD1-CB 3.25Å; D34-S133 PolarHBondContact OD1-OG 3.46Å; D34-S133 PolarHBondContact OD2-OG 3.08Å
35	D	97	Very high	97.3	Very high	62 Å²	62	55.1 Å²	55.1	33%	0.332	27%	0.265	S	S	.	.	H	α-helix	trans	-59.5	-31.7	174.8	-68.1	-23.8	0	0	0	111.1	K31 V37 K38 L39	K31-D35 PolarHBondContact O-N 2.85Å; D35-V37 VanDerWaalsContact C-N 3.29Å; D35-V37 PolarHBondContact O-N 3.31Å; D35-K38 WeakPolarHBondContact O-CB 3.25Å; D35-K38 PolarHBondContact O-N 3.33Å; D35-K38 VanDerWaalsContact O-N 3.15Å; D35-L39 VanDerWaalsContact O-CG 3.3Å; D35-L39 WeakPolarHBondContact O-CG 3.27Å; D35-L39 PolarHBondContact O-N 3.49Å
36	G	97.2	Very high	97.4	Very high	1 Å²	1	57.9 Å²	57.9	1%	0.01	28%	0.279	C	S	.	.	H	α-helix	trans	-56.9	-38	174.2	0	0	0	0	0	113.8	R32 I33 D34 C40	R32-G36 PolarHBondContact O-N 2.8Å; R32-G36 VanDerWaalsContact O-N 3.11Å; I33-G36 PolarHBondContact O-N 2.8Å; D34-G36 PolarHBondContact O-N 3.31Å; G36-C40 PolarHBondContact O-N 2.82Å; G36-C40 PolarHBondContact O-SG 2.91Å
37	V	95.8	Very high	97.4	Very high	9 Å²	9	58 Å²	58	6%	0.055	28%	0.28	C	S	.	.	H	α-helix	trans	-68.2	-42.3	176.1	-173.1	0	0	0	0	111.2	D34 D35 C40 S41 F122 V130	D34-V37 WeakPolarHBondContact O-CB 3.3Å; D34-V37 PolarHBondContact O-N 3.48Å; D34-V37 VanDerWaalsContact O-N 3.08Å; D35-V37 VanDerWaalsContact C-N 3.29Å; D35-V37 PolarHBondContact O-N 3.31Å; V37-C40 PolarHBondContact O-N 3.5Å; V37-S41 PolarHBondContact O-N 2.92Å; V37-S41 PolarHBondContact O-OG 3.17Å; V37-F122 HydrophobicContact CG2-CB 3.68Å; V37-F122 HydrophobicContact CG2-CD1 3.69Å; V37-F122 HydrophobicContact CG2-CD2 3.75Å; V37-F122 HydrophobicContact CG2-CE1 4.17Å; V37-F122 HydrophobicContact CG2-CE2 4.21Å; V37-F122 HydrophobicContact CG2-CG 3.46Å; V37-F122 VanDerWaalsContact CG2-CG 3.46Å; V37-F122 HydrophobicContact CG2-CZ 4.41Å; V37-V130 HydrophobicContact CG2-CG1 4.44Å; V37-V130 HydrophobicContact CG2-CG2 3.84Å
38	K	96.7	Very high	97.5	Very high	129 Å²	129	57.2 Å²	57.2	56%	0.561	27%	0.274	S	S	*	.	H	α-helix	trans	-61.8	-48	177.4	-175.5	-172.7	170.7	-173	0	110.1	D34 D35 C40 S41 D42	D34-K38 PolarHBondContact O-N 2.94Å; D35-K38 WeakPolarHBondContact O-CB 3.25Å; D35-K38 PolarHBondContact O-N 3.33Å; D35-K38 VanDerWaalsContact O-N 3.15Å; K38-C40 VanDerWaalsContact C-N 3.27Å; K38-C40 PolarHBondContact O-N 3.28Å; K38-S41 CarbonylContact O-C 3.58Å; K38-S41 WeakPolarHBondContact O-CA 2.8Å; K38-S41 VanDerWaalsContact O-CB 3.28Å; K38-S41 WeakPolarHBondContact O-CB 3.49Å; K38-S41 PolarHBondContact O-N 2.95Å; K38-D42 PolarHBondContact O-N 3.46Å
39	L	98.4	Very high	97.6	Very high	68 Å²	68	55.7 Å²	55.7	36%	0.356	27%	0.272	S	S	.	.	H	α-helix	trans	-58.8	-36.1	179.1	-69.9	171	0	0	0	112.9	D35 S41 D42 L43 F246	D35-L39 VanDerWaalsContact O-CG 3.3Å; D35-L39 WeakPolarHBondContact O-CG 3.27Å; D35-L39 PolarHBondContact O-N 3.49Å; L39-S41 VanDerWaalsContact C-N 3.3Å; L39-D42 PolarHBondContact O-N 2.92Å; L39-L43 WeakPolarHBondContact O-CB 3.42Å; L39-L43 PolarHBondContact O-N 3Å; L39-F246 HydrophobicContact CB-CE1 4.23Å; L39-F246 HydrophobicContact CB-CZ 3.88Å
40	C	98.4	Very high	97.6	Very high	2 Å²	2	59.6 Å²	59.6	1%	0.014	29%	0.285	C	S	.	.	H	α-helix	trans	-63	-38.5	172.6	-72.8	0	0	0	0	112.2	G36 V37 K38 T44 V114	G36-C40 PolarHBondContact O-N 2.82Å; G36-C40 PolarHBondContact O-SG 2.91Å; V37-C40 PolarHBondContact O-N 3.5Å; K38-C40 VanDerWaalsContact C-N 3.27Å; K38-C40 PolarHBondContact O-N 3.28Å; C40-T44 WeakPolarHBondContact O-CB 3.47Å; C40-T44 PolarHBondContact O-N 2.94Å; C40-T44 VanDerWaalsContact O-N 3.11Å; C40-T44 PolarHBondContact O-OG1 3.18Å; C40-V114 HydrophobicContact CB-CG1 3.99Å; C40-V114 VanDerWaalsContact O-CG1 3.3Å; C40-V114 WeakPolarHBondContact O-CG1 3.38Å
41	S	97.8	Very high	97.7	Very high	64 Å²	64	59.2 Å²	59.2	45%	0.448	28%	0.283	S	S	.	.	H	α-helix	trans	-69.4	-43.2	177.4	-52.6	0	0	0	0	110.9	V37 K38 L39 T44 L45	V37-S41 PolarHBondContact O-N 2.92Å; V37-S41 PolarHBondContact O-OG 3.17Å; K38-S41 CarbonylContact O-C 3.58Å; K38-S41 WeakPolarHBondContact O-CA 2.8Å; K38-S41 VanDerWaalsContact O-CB 3.28Å; K38-S41 WeakPolarHBondContact O-CB 3.49Å; K38-S41 PolarHBondContact O-N 2.95Å; L39-S41 VanDerWaalsContact C-N 3.3Å; S41-T44 WeakPolarHBondContact O-CB 3.28Å; S41-T44 PolarHBondContact O-N 2.93Å; S41-L45 PolarHBondContact O-N 3.39Å
42	D	98.6	Very high	97.8	Very high	70 Å²	70	59.1 Å²	59.1	37%	0.374	28%	0.284	S	S	.	.	H	α-helix	trans	-61.8	-46.4	177.7	-63	-14.5	0	0	0	111	K38 L39 T44 L45 M46	K38-D42 PolarHBondContact O-N 3.46Å; L39-D42 PolarHBondContact O-N 2.92Å; D42-T44 VanDerWaalsContact C-N 3.32Å; D42-T44 PolarHBondContact O-N 3.22Å; D42-L45 PolarHBondContact O-N 2.87Å; D42-M46 WeakPolarHBondContact O-CB 3.23Å; D42-M46 PolarHBondContact O-N 2.78Å
43	L	98.3	Very high	97.8	Very high	14 Å²	14	61 Å²	61	7%	0.073	30%	0.299	C	S	.	.	H	α-helix	trans	-60.8	-42.1	175.5	179	61.3	0	0	0	111.7	L39 M46 M47 V114 F246 M249 L250	L39-L43 WeakPolarHBondContact O-CB 3.42Å; L39-L43 PolarHBondContact O-N 3Å; L43-M46 PolarHBondContact O-N 3.45Å; L43-M47 HydrophobicContact CD1-CG 4.26Å; L43-M47 VanDerWaalsContact O-CG 3.29Å; L43-M47 WeakPolarHBondContact O-CG 3.18Å; L43-M47 PolarHBondContact O-N 2.54Å; L43-V114 HydrophobicContact CD2-CG2 3.99Å; L43-F246 HydrophobicContact CB-CE1 4.3Å; L43-F246 HydrophobicContact CB-CZ 4.37Å; L43-F246 HydrophobicContact CD2-CD1 4.18Å; L43-F246 HydrophobicContact CD2-CE1 4.02Å; L43-F246 HydrophobicContact CD2-CE2 4.45Å; L43-F246 HydrophobicContact CD2-CG 4.46Å; L43-F246 HydrophobicContact CD2-CZ 4.16Å; L43-M249 HydrophobicContact CD2-CB 4.31Å; L43-L250 HydrophobicContact CD1-CD2 4.3Å
44	T	98.5	Very high	98	Very high	12 Å²	12	61.2 Å²	61.2	7%	0.074	30%	0.3	C	S	.	.	H	α-helix	trans	-63.2	-42.1	177.7	-61	0	0	0	0	111.7	C40 S41 D42 M47 R48 C111 V114 K115	C40-T44 WeakPolarHBondContact O-CB 3.47Å; C40-T44 PolarHBondContact O-N 2.94Å; C40-T44 VanDerWaalsContact O-N 3.11Å; C40-T44 PolarHBondContact O-OG1 3.18Å; S41-T44 WeakPolarHBondContact O-CB 3.28Å; S41-T44 PolarHBondContact O-N 2.93Å; D42-T44 VanDerWaalsContact C-N 3.32Å; D42-T44 PolarHBondContact O-N 3.22Å; T44-M47 PolarHBondContact O-N 2.95Å; T44-R48 PolarHBondContact O-N 3.11Å; T44-C111 HydrophobicContact CG2-CB 4.2Å; T44-V114 VanDerWaalsContact OG1-CG1 3.29Å; T44-V114 WeakPolarHBondContact OG1-CG1 3.32Å; T44-K115 HydrophobicContact CG2-CD 4.28Å; T44-K115 HydrophobicContact CG2-CG 4.06Å
45	L	98.6	Very high	98.1	Very high	95 Å²	95	59.6 Å²	59.6	50%	0.497	30%	0.295	S	S	.	.	H	α-helix	trans	-63.7	-49.6	177.8	178.2	61.1	0	0	0	110.7	S41 D42 M47 R48 E49	S41-L45 PolarHBondContact O-N 3.39Å; D42-L45 PolarHBondContact O-N 2.87Å; L45-M47 VanDerWaalsContact C-N 3.26Å; L45-M47 PolarHBondContact O-N 2.97Å; L45-R48 WeakPolarHBondContact O-CB 3.41Å; L45-R48 PolarHBondContact O-N 3.09Å; L45-E49 HydrophobicContact CD1-CG 4.32Å; L45-E49 PolarHBondContact O-N 2.92Å
46	M	98.5	Very high	98.2	Very high	120 Å²	120	60.5 Å²	60.5	59%	0.591	31%	0.306	S	S	*	.	H	α-helix	trans	-54.5	-43	177.8	-170.6	-168.4	-166.5	0	0	112	D42 L43 R50	D42-M46 WeakPolarHBondContact O-CB 3.23Å; D42-M46 PolarHBondContact O-N 2.78Å; L43-M46 PolarHBondContact O-N 3.45Å; M46-R50 PolarHBondContact O-N 3.44Å; M46-R50 VanDerWaalsContact O-N 3.1Å
47	M	98.1	Very high	98.3	Very high	13 Å²	13	64.8 Å²	64.8	6%	0.064	32%	0.323	C	S	.	.	H	α-helix	trans	-72.9	-31.8	179.2	-66.4	-54.9	98.4	0	0	112.9	L43 T44 L45 S51 L106 V110 C111 V253	L43-M47 HydrophobicContact CD1-CG 4.26Å; L43-M47 VanDerWaalsContact O-CG 3.29Å; L43-M47 WeakPolarHBondContact O-CG 3.18Å; L43-M47 PolarHBondContact O-N 2.54Å; T44-M47 PolarHBondContact O-N 2.95Å; L45-M47 VanDerWaalsContact C-N 3.26Å; L45-M47 PolarHBondContact O-N 2.97Å; M47-S51 WeakPolarHBondContact O-CB 3.38Å; M47-S51 PolarHBondContact O-N 3.41Å; M47-L106 HydrophobicContact SD-CD2 4.4Å; M47-V110 HydrophobicContact CG-CG1 3.99Å; M47-C111 WeakPolarHBondContact CB-SG 3.39Å; M47-V253 HydrophobicContact CG-CG2 4.13Å; M47-V253 HydrophobicContact SD-CB 4.16Å; M47-V253 HydrophobicContact SD-CG1 3.68Å; M47-V253 HydrophobicContact SD-CG2 3.3Å; M47-V253 WeakPolarHBondContact SD-CG2 3.48Å
48	R	98.2	Very high	98.4	Very high	115 Å²	115	64.7 Å²	64.7	43%	0.434	32%	0.323	S	S	.	.	H	α-helix	trans	-64.9	-49.6	172.8	-103.1	-176.1	168.9	167.2	-11	112.1	T44 L45 R50 S51 E52 K115	T44-R48 PolarHBondContact O-N 3.11Å; L45-R48 WeakPolarHBondContact O-CB 3.41Å; L45-R48 PolarHBondContact O-N 3.09Å; R48-R50 VanDerWaalsContact C-N 3.27Å; R48-R50 PolarHBondContact O-N 2.93Å; R48-S51 WeakPolarHBondContact O-CA 3.45Å; R48-S51 WeakPolarHBondContact O-CB 3.36Å; R48-S51 PolarHBondContact O-N 2.91Å; R48-S51 PolarHBondContact O-OG 3.32Å; R48-E52 WeakPolarHBondContact O-CG 3.4Å; R48-E52 PolarHBondContact O-N 2.91Å; R48-K115 VanDerWaalsContact CZ-NZ 3.34Å
49	E	98.7	Very high	98.5	Very high	104 Å²	104	66.3 Å²	66.3	49%	0.486	33%	0.33	S	S	.	.	H	α-helix	trans	-57.7	-42.9	176.5	-70	174.3	-179.6	0	0	110.6	L45 S51 E52 I53	L45-E49 HydrophobicContact CD1-CG 4.32Å; L45-E49 PolarHBondContact O-N 2.92Å; E49-S51 PolarHBondContact O-N 3.5Å; E49-E52 PolarHBondContact O-N 3.48Å; E49-I53 WeakPolarHBondContact O-CG1 3.49Å; E49-I53 PolarHBondContact O-N 2.97Å
50	R	98.6	Very high	98.5	Very high	90 Å²	90	65.9 Å²	65.9	34%	0.34	34%	0.336	S	S	.	.	H	α-helix	trans	-59.8	-44.1	171.8	177.6	55	-174.6	-88.4	5.3	112.4	M46 R48 E52 I53 E54 L106 L257	M46-R50 PolarHBondContact O-N 3.44Å; M46-R50 VanDerWaalsContact O-N 3.1Å; R48-R50 VanDerWaalsContact C-N 3.27Å; R48-R50 PolarHBondContact O-N 2.93Å; R50-E52 VanDerWaalsContact C-N 3.26Å; R50-E52 PolarHBondContact O-N 3.48Å; R50-I53 WeakPolarHBondContact O-CB 3.37Å; R50-I53 PolarHBondContact O-N 3.46Å; R50-E54 IonicContact CZ-OE1 3.93Å; R50-E54 IonicContact NE-OE1 2.92Å; R50-E54 PolarHBondContact NE-OE1 2.86Å; R50-E54 IonicContact NH2-OE1 3.16Å; R50-E54 PolarHBondContact NH2-OE1 2.64Å; R50-E54 WeakPolarHBondContact O-CG 3.39Å; R50-E54 PolarHBondContact O-N 3.14Å; R50-L106 HydrophobicContact CG-CD1 3.85Å; R50-L257 HydrophobicContact CG-CD2 4.46Å; R50-L257 VanDerWaalsContact NH1-CD1 3.26Å; R50-L257 VanDerWaalsContact NH2-CD2 3.25Å
51	S	98.6	Very high	98.6	Very high	4 Å²	4	66.5 Å²	66.5	3%	0.028	34%	0.339	C	S	.	.	H	α-helix	trans	-63	-32.4	178.6	82.4	0	0	0	0	112.7	M47 R48 E49 E54 A55 R103 N107	M47-S51 WeakPolarHBondContact O-CB 3.38Å; M47-S51 PolarHBondContact O-N 3.41Å; R48-S51 WeakPolarHBondContact O-CA 3.45Å; R48-S51 WeakPolarHBondContact O-CB 3.36Å; R48-S51 PolarHBondContact O-N 2.91Å; R48-S51 PolarHBondContact O-OG 3.32Å; E49-S51 PolarHBondContact O-N 3.5Å; S51-E54 PolarHBondContact O-N 3.49Å; S51-A55 WeakPolarHBondContact O-CB 3.44Å; S51-A55 PolarHBondContact O-N 3.47Å; S51-R103 WeakPolarHBondContact O-CG 3.29Å; S51-N107 VanDerWaalsContact CB-ND2 3.35Å; S51-N107 WeakPolarHBondContact CB-ND2 3.23Å; S51-N107 PolarHBondContact OG-ND2 3.21Å
52	E	98.7	Very high	98.6	Very high	125 Å²	125	66.9 Å²	66.9	58%	0.584	33%	0.334	S	S	*	.	H	α-helix	trans	-69.8	-36.2	176.8	-71.4	172.2	-173.1	0	0	111.8	R48 E49 R50 A55 S56	R48-E52 WeakPolarHBondContact O-CG 3.4Å; R48-E52 PolarHBondContact O-N 2.91Å; E49-E52 PolarHBondContact O-N 3.48Å; R50-E52 VanDerWaalsContact C-N 3.26Å; R50-E52 PolarHBondContact O-N 3.48Å; E52-A55 PolarHBondContact O-N 3.4Å; E52-S56 WeakPolarHBondContact O-CB 3.42Å; E52-S56 PolarHBondContact O-N 3.4Å
53	I	98.8	Very high	98.6	Very high	111 Å²	111	69.8 Å²	69.8	57%	0.569	35%	0.345	S	S	*	.	H	α-helix	trans	-60.3	-48.4	171.6	-64.2	168.3	0	0	0	110.3	E49 R50 A55 S56 Y57	E49-I53 WeakPolarHBondContact O-CG1 3.49Å; E49-I53 PolarHBondContact O-N 2.97Å; R50-I53 WeakPolarHBondContact O-CB 3.37Å; R50-I53 PolarHBondContact O-N 3.46Å; I53-A55 VanDerWaalsContact C-N 3.32Å; I53-A55 PolarHBondContact O-N 2.89Å; I53-S56 PolarHBondContact O-N 3.41Å; I53-Y57 PolarHBondContact O-N 2.95Å; I53-Y57 VanDerWaalsContact O-N 3.08Å
54	E	98.7	Very high	98.6	Very high	15 Å²	15	74 Å²	74	7%	0.07	36%	0.36	C	S	.	.	H	α-helix	trans	-60.3	-42.3	177.3	-59.9	-63	160.4	0	0	111.6	R50 S51 Y57 A58 H99 V102 R103 L106	R50-E54 IonicContact CZ-OE1 3.93Å; R50-E54 IonicContact NE-OE1 2.92Å; R50-E54 PolarHBondContact NE-OE1 2.86Å; R50-E54 IonicContact NH2-OE1 3.16Å; R50-E54 PolarHBondContact NH2-OE1 2.64Å; R50-E54 WeakPolarHBondContact O-CG 3.39Å; R50-E54 PolarHBondContact O-N 3.14Å; S51-E54 PolarHBondContact O-N 3.49Å; E54-Y57 PolarHBondContact O-N 3.46Å; E54-A58 WeakPolarHBondContact O-CB 3.46Å; E54-A58 PolarHBondContact O-N 2.86Å; E54-H99 IonicContact OE2-CE1 3.65Å; E54-H99 IonicContact OE2-CG 2.85Å; E54-H99 IonicContact OE2-ND1 2.65Å; E54-H99 PolarHBondContact OE2-ND1 2.99Å; E54-V102 HydrophobicContact CG-CB 4.49Å; E54-V102 HydrophobicContact CG-CG1 3.92Å; E54-R103 HydrophobicContact CB-CB 4.23Å; E54-L106 HydrophobicContact CG-CD1 4.4Å
55	A	98.7	Very high	98.6	Very high	28 Å²	28	73.4 Å²	73.4	23%	0.231	36%	0.356	C	S	.	.	H	α-helix	trans	-63.4	-41.7	177.3	0	0	0	0	0	112.6	S51 E52 I53 K59 R103	S51-A55 WeakPolarHBondContact O-CB 3.44Å; S51-A55 PolarHBondContact O-N 3.47Å; E52-A55 PolarHBondContact O-N 3.4Å; I53-A55 VanDerWaalsContact C-N 3.32Å; I53-A55 PolarHBondContact O-N 2.89Å; A55-K59 WeakPolarHBondContact O-CB 3.44Å; A55-K59 PolarHBondContact O-N 3.07Å; A55-R103 HydrophobicContact CB-CG 4.14Å
56	S	98.8	Very high	98.6	Very high	82 Å²	82	75.2 Å²	75.2	57%	0.573	36%	0.36	S	S	*	.	H	α-helix	trans	-63.3	-46.2	179.2	-173.3	0	0	0	0	111	E52 I53 K59 A60	E52-S56 WeakPolarHBondContact O-CB 3.42Å; E52-S56 PolarHBondContact O-N 3.4Å; I53-S56 PolarHBondContact O-N 3.41Å; S56-K59 PolarHBondContact O-N 2.98Å; S56-A60 PolarHBondContact O-N 3.33Å
57	Y	98.8	Very high	98.6	Very high	91 Å²	91	75.6 Å²	75.6	36%	0.357	36%	0.358	S	S	.	.	H	α-helix	trans	-63.1	-46.1	177.2	-180	-129.3	0	0	0	112.6	I53 E54 K59 A60 L61 R95 H99	I53-Y57 PolarHBondContact O-N 2.95Å; I53-Y57 VanDerWaalsContact O-N 3.08Å; E54-Y57 PolarHBondContact O-N 3.46Å; Y57-K59 VanDerWaalsContact C-N 3.32Å; Y57-K59 PolarHBondContact O-N 2.99Å; Y57-A60 PolarHBondContact O-N 3.08Å; Y57-L61 HydrophobicContact CD1-CD1 4.15Å; Y57-L61 HydrophobicContact CD2-CD1 4.31Å; Y57-L61 HydrophobicContact CD2-CG 4.22Å; Y57-L61 HydrophobicContact CE1-CD1 3.72Å; Y57-L61 HydrophobicContact CE2-CD1 3.87Å; Y57-L61 HydrophobicContact CE2-CD2 4.14Å; Y57-L61 HydrophobicContact CE2-CG 3.87Å; Y57-L61 HydrophobicContact CG-CD1 4.45Å; Y57-L61 WeakPolarHBondContact O-CG 3.3Å; Y57-L61 PolarHBondContact O-N 2.8Å; Y57-R95 PolarHBondContact OH-NE 3.25Å; Y57-R95 PolarHBondContact OH-NH2 3.4Å; Y57-H99 HydrophobicContact CD1-CB 4.33Å; Y57-H99 AromaticContact CD1-CD2 3.8Å; Y57-H99 AromaticContact CD1-CE1 3.81Å; Y57-H99 AromaticContact CD1-CG 3.69Å; Y57-H99 AromaticContact CD1-ND1 3.69Å; Y57-H99 AromaticContact CD1-NE2 3.88Å; Y57-H99 AromaticContact CE1-CD2 3.64Å; Y57-H99 AromaticContact CE1-CE1 3.75Å; Y57-H99 AromaticContact CE1-NE2 3.46Å; Y57-H99 WeakPolarHBondContact CE1-NE2 3.1Å
58	A	98.7	Very high	98.6	Very high	7 Å²	7	79.3 Å²	79.3	6%	0.058	37%	0.372	C	S	.	.	H	α-helix	trans	-57.5	-45	174.8	0	0	0	0	0	111.8	E54 A60 L61 H62 A96 H99	E54-A58 WeakPolarHBondContact O-CB 3.46Å; E54-A58 PolarHBondContact O-N 2.86Å; A58-A60 PolarHBondContact O-N 3.17Å; A58-L61 PolarHBondContact O-N 2.74Å; A58-H62 PolarHBondContact O-CD2 3.39Å; A58-H62 VanDerWaalsContact O-CD2 3.31Å; A58-H62 PolarHBondContact O-N 2.86Å; A58-A96 HydrophobicContact CB-CB 4.27Å; A58-A96 VanDerWaalsContact CB-O 3.28Å; A58-A96 WeakPolarHBondContact CB-O 3.3Å; A58-A96 WeakPolarHBondContact O-CB 3.34Å; A58-H99 HydrophobicContact CB-CB 4.11Å
59	K	98.7	Very high	98.7	Very high	163 Å²	163	74.7 Å²	74.7	71%	0.709	36%	0.356	S	S	*	.	H	α-helix	trans	-61.9	-43.6	177.6	-174.3	-178.6	178.4	-174.8	0	112.1	A55 S56 Y57 H62 H63	A55-K59 WeakPolarHBondContact O-CB 3.44Å; A55-K59 PolarHBondContact O-N 3.07Å; S56-K59 PolarHBondContact O-N 2.98Å; Y57-K59 VanDerWaalsContact C-N 3.32Å; Y57-K59 PolarHBondContact O-N 2.99Å; K59-H62 PolarHBondContact O-N 3.45Å; K59-H63 WeakPolarHBondContact O-CB 3.18Å; K59-H63 PolarHBondContact O-N 3.17Å
60	A	98.8	Very high	98.6	Very high	58 Å²	58	72.5 Å²	72.5	48%	0.479	35%	0.347	S	S	.	.	H	α-helix	trans	-62	-44.4	177.7	0	0	0	0	0	111.7	S56 Y57 A58 H63 W64	S56-A60 PolarHBondContact O-N 3.33Å; Y57-A60 PolarHBondContact O-N 3.08Å; A58-A60 PolarHBondContact O-N 3.17Å; A60-H63 PolarHBondContact O-N 2.71Å; A60-W64 WeakPolarHBondContact O-CB 3.41Å; A60-W64 PolarHBondContact O-N 2.92Å
61	L	98.7	Very high	98.6	Very high	16 Å²	16	73.4 Å²	73.4	8%	0.084	36%	0.355	C	S	.	.	H	α-helix	trans	-63.7	-44.9	176.4	-74.5	176.3	0	0	0	112.7	Y57 A58 H63 W64 S65 A92 R95 A96	Y57-L61 HydrophobicContact CD1-CD1 4.15Å; Y57-L61 HydrophobicContact CD2-CD1 4.31Å; Y57-L61 HydrophobicContact CD2-CG 4.22Å; Y57-L61 HydrophobicContact CE1-CD1 3.72Å; Y57-L61 HydrophobicContact CE2-CD1 3.87Å; Y57-L61 HydrophobicContact CE2-CD2 4.14Å; Y57-L61 HydrophobicContact CE2-CG 3.87Å; Y57-L61 HydrophobicContact CG-CD1 4.45Å; Y57-L61 WeakPolarHBondContact O-CG 3.3Å; Y57-L61 PolarHBondContact O-N 2.8Å; A58-L61 PolarHBondContact O-N 2.74Å; L61-H63 VanDerWaalsContact C-N 3.33Å; L61-H63 PolarHBondContact O-N 3.03Å; L61-W64 PolarHBondContact O-N 2.84Å; L61-S65 VanDerWaalsContact O-CB 3.25Å; L61-S65 WeakPolarHBondContact O-CB 3.48Å; L61-S65 PolarHBondContact O-N 2.86Å; L61-A92 HydrophobicContact CD2-CB 4.13Å; L61-R95 HydrophobicContact CD1-CB 4.23Å; L61-R95 HydrophobicContact CD1-CG 4.15Å; L61-A96 HydrophobicContact CB-CB 3.73Å; L61-A96 HydrophobicContact CD1-CB 4.31Å
62	H	98.5	Very high	98.6	Very high	72 Å²	72	73.3 Å²	73.3	33%	0.333	35%	0.354	S	S	.	.	H	α-helix	trans	-59.9	-43.8	175	-83.2	-56.6	0	0	0	112.1	A58 K59 S65 K66 A96 D97	A58-H62 PolarHBondContact O-CD2 3.39Å; A58-H62 VanDerWaalsContact O-CD2 3.31Å; A58-H62 PolarHBondContact O-N 2.86Å; K59-H62 PolarHBondContact O-N 3.45Å; H62-S65 PolarHBondContact O-N 2.85Å; H62-K66 WeakPolarHBondContact O-CB 3.4Å; H62-K66 PolarHBondContact O-N 3.19Å; H62-A96 VanDerWaalsContact CD2-CB 3.46Å; H62-A96 WeakPolarHBondContact CD2-CB 3.19Å; H62-A96 WeakPolarHBondContact NE2-CB 3.5Å; H62-D97 IonicContact CE1-OD1 3.44Å; H62-D97 PolarHBondContact CE1-OD1 3.4Å; H62-D97 IonicContact NE2-OD1 3.08Å; H62-D97 PolarHBondContact NE2-OD1 3.34Å
63	H	98.6	Very high	98.5	Very high	130 Å²	130	72.4 Å²	72.4	60%	0.602	35%	0.35	S	S	*	.	H	α-helix	trans	-63.1	-47.5	178.1	-179.4	76.9	0	0	0	111.6	K59 A60 L61 K66 K67	K59-H63 WeakPolarHBondContact O-CB 3.18Å; K59-H63 PolarHBondContact O-N 3.17Å; A60-H63 PolarHBondContact O-N 2.71Å; L61-H63 VanDerWaalsContact C-N 3.33Å; L61-H63 PolarHBondContact O-N 3.03Å; H63-K66 PolarHBondContact O-N 3.21Å; H63-K67 WeakPolarHBondContact O-CB 3.47Å; H63-K67 PolarHBondContact O-N 3.29Å
64	W	98.7	Very high	98.4	Very high	102 Å²	102	75.2 Å²	75.2	39%	0.386	36%	0.358	S	S	.	.	H	α-helix	trans	-59.6	-47.5	176.6	178.1	93.4	0	0	0	111.8	A60 L61 K66 K67 W68 L88 T89 A92	A60-W64 WeakPolarHBondContact O-CB 3.41Å; A60-W64 PolarHBondContact O-N 2.92Å; L61-W64 PolarHBondContact O-N 2.84Å; W64-K66 PolarHBondContact O-N 3.27Å; W64-K67 PolarHBondContact O-N 2.99Å; W64-W68 AromaticContact CD1-CD1 3.56Å; W64-W68 AromaticContact CD1-NE1 3.65Å; W64-W68 AromaticContact CD2-CD1 3.88Å; W64-W68 AromaticContact CE2-CD1 3.45Å; W64-W68 VanDerWaalsContact CE2-CD1 3.45Å; W64-W68 AromaticContact CE2-NE1 3.89Å; W64-W68 AromaticContact CG-CD1 3.92Å; W64-W68 AromaticContact NE1-CD1 3.27Å; W64-W68 VanDerWaalsContact NE1-CD1 3.27Å; W64-W68 AromaticContact NE1-NE1 3.26Å; W64-W68 PolarHBondContact O-N 3.5Å; W64-L88 HydrophobicContact CH2-CB 4.29Å; W64-T89 HydrophobicContact CZ3-CG2 4.44Å; W64-A92 HydrophobicContact CE3-CB 3.56Å; W64-A92 HydrophobicContact CZ3-CB 3.49Å; W64-A92 VanDerWaalsContact CZ3-CB 3.49Å
65	S	98.7	Very high	98.3	Very high	0 Å²	0	75.7 Å²	75.7	0%	0	37%	0.367	C	S	.	.	H	α-helix	trans	-57.3	-50.2	177.7	168	0	0	0	0	111.3	L61 H62 N69 T89	L61-S65 VanDerWaalsContact O-CB 3.25Å; L61-S65 WeakPolarHBondContact O-CB 3.48Å; L61-S65 PolarHBondContact O-N 2.86Å; H62-S65 PolarHBondContact O-N 2.85Å; S65-N69 WeakPolarHBondContact O-CB 3.45Å; S65-N69 PolarHBondContact O-N 2.78Å; S65-T89 VanDerWaalsContact CB-O 3.32Å; S65-T89 WeakPolarHBondContact CB-O 3.46Å; S65-T89 PolarHBondContact OG-O 2.77Å
66	K	98.6	Very high	98.1	Very high	134 Å²	134	78.5 Å²	78.5	58%	0.583	39%	0.39	S	S	*	.	H	α-helix	trans	-61	-49.2	179	-176.5	177.7	179.2	179.1	0	111.7	H62 H63 W64 W68 N69 D70	H62-K66 WeakPolarHBondContact O-CB 3.4Å; H62-K66 PolarHBondContact O-N 3.19Å; H63-K66 PolarHBondContact O-N 3.21Å; W64-K66 PolarHBondContact O-N 3.27Å; K66-W68 PolarHBondContact O-N 3.21Å; K66-N69 PolarHBondContact O-N 3.08Å; K66-D70 WeakPolarHBondContact O-CB 3.33Å; K66-D70 VanDerWaalsContact O-CG 3.23Å; K66-D70 PolarHBondContact O-N 3.3Å
67	K	98.5	Very high	97.9	Very high	127 Å²	127	78.1 Å²	78.1	55%	0.552	38%	0.379	S	S	*	.	H	α-helix	trans	-56	-50.1	-179.2	175.5	-178.7	173.9	179.3	0	111.9	H63 W64 H71	H63-K67 WeakPolarHBondContact O-CB 3.47Å; H63-K67 PolarHBondContact O-N 3.29Å; W64-K67 PolarHBondContact O-N 2.99Å; K67-H71 PolarHBondContact O-N 3.35Å
68	W	98.6	Very high	97.7	Very high	92 Å²	92	78.8 Å²	78.8	35%	0.348	38%	0.382	S	S	.	.	H	α-helix	trans	-76.7	-34.6	-176.2	-77.4	107.2	0	0	0	112.8	W64 K66 H71 I72 T89	W64-W68 AromaticContact CD1-CD1 3.56Å; W64-W68 AromaticContact CD1-NE1 3.65Å; W64-W68 AromaticContact CD2-CD1 3.88Å; W64-W68 AromaticContact CE2-CD1 3.45Å; W64-W68 VanDerWaalsContact CE2-CD1 3.45Å; W64-W68 AromaticContact CE2-NE1 3.89Å; W64-W68 AromaticContact CG-CD1 3.92Å; W64-W68 AromaticContact NE1-CD1 3.27Å; W64-W68 VanDerWaalsContact NE1-CD1 3.27Å; W64-W68 AromaticContact NE1-NE1 3.26Å; W64-W68 PolarHBondContact O-N 3.5Å; K66-W68 PolarHBondContact O-N 3.21Å; W68-H71 HydrophobicContact CE3-CB 4.35Å; W68-H71 AromaticContact CE3-CD2 3.87Å; W68-H71 AromaticContact CZ3-CD2 3.74Å; W68-H71 PolarHBondContact O-N 2.9Å; W68-I72 WeakPolarHBondContact O-CD1 3.44Å; W68-I72 WeakPolarHBondContact O-CG1 3.32Å; W68-I72 PolarHBondContact O-N 3.28Å; W68-T89 HydrophobicContact CB-CG2 3.95Å
69	N	98.3	Very high	97.6	Very high	18 Å²	18	80 Å²	80	10%	0.096	39%	0.394	C	S	.	.	H	α-helix	trans	-61.1	-47.7	174.1	-171.5	74.3	0	0	0	110.9	S65 K66 H71 I72 E73 T89	S65-N69 WeakPolarHBondContact O-CB 3.45Å; S65-N69 PolarHBondContact O-N 2.78Å; K66-N69 PolarHBondContact O-N 3.08Å; N69-H71 PolarHBondContact O-N 3.46Å; N69-I72 PolarHBondContact O-N 3.39Å; N69-E73 VanDerWaalsContact ND2-CD 3.34Å; N69-E73 PolarHBondContact ND2-OE1 3.47Å; N69-E73 WeakPolarHBondContact O-CB 3.47Å; N69-E73 WeakPolarHBondContact O-CG 3.46Å; N69-E73 PolarHBondContact O-N 2.91Å; N69-T89 HydrophobicContact CB-CG2 4.27Å; N69-T89 PolarHBondContact OD1-OG1 2.98Å
70	D	98.1	Very high	97.5	Very high	57 Å²	57	73.4 Å²	73.4	31%	0.305	37%	0.369	S	S	.	.	H	α-helix	trans	-61.3	-34	176.8	-68.8	-1.3	0	0	0	112.1	K66 K74	K66-D70 WeakPolarHBondContact O-CB 3.33Å; K66-D70 VanDerWaalsContact O-CG 3.23Å; K66-D70 PolarHBondContact O-N 3.3Å; D70-K74 WeakPolarHBondContact O-CB 3.07Å; D70-K74 WeakPolarHBondContact O-CD 3.04Å; D70-K74 VanDerWaalsContact O-CG 3.3Å; D70-K74 WeakPolarHBondContact O-CG 3.36Å; D70-K74 PolarHBondContact O-N 2.92Å
71	H	98.2	Very high	97.4	Very high	110 Å²	110	72.9 Å²	72.9	51%	0.509	36%	0.362	S	S	.	.	H	α-helix	trans	-69.9	-44.9	176.2	-179.2	78.4	0	0	0	112.1	K67 W68 N69 K74 G75	K67-H71 PolarHBondContact O-N 3.35Å; W68-H71 HydrophobicContact CE3-CB 4.35Å; W68-H71 AromaticContact CE3-CD2 3.87Å; W68-H71 AromaticContact CZ3-CD2 3.74Å; W68-H71 PolarHBondContact O-N 2.9Å; N69-H71 PolarHBondContact O-N 3.46Å; H71-K74 PolarHBondContact O-N 3.37Å; H71-G75 PolarHBondContact O-N 2.94Å
72	I	98	Very high	97.4	Very high	1 Å²	1	73.6 Å²	73.6	1%	0.005	37%	0.365	C	S	.	.	H	α-helix	trans	-68.3	-41.4	-179.9	-64.2	160.7	0	0	0	110.7	W68 N69 K74 G75 Q82 W85 Q86 T89	W68-I72 WeakPolarHBondContact O-CD1 3.44Å; W68-I72 WeakPolarHBondContact O-CG1 3.32Å; W68-I72 PolarHBondContact O-N 3.28Å; N69-I72 PolarHBondContact O-N 3.39Å; I72-K74 VanDerWaalsContact C-N 3.28Å; I72-K74 PolarHBondContact O-N 2.72Å; I72-G75 PolarHBondContact O-N 2.82Å; I72-G75 VanDerWaalsContact O-N 3.17Å; I72-Q82 HydrophobicContact CG2-CG 3.65Å; I72-Q82 PolarHBondContact O-NE2 2.85Å; I72-Q82 VanDerWaalsContact O-NE2 3.1Å; I72-W85 HydrophobicContact CD1-CB 4.45Å; I72-W85 HydrophobicContact CD1-CD2 3.7Å; I72-W85 HydrophobicContact CD1-CE3 4.41Å; I72-W85 HydrophobicContact CD1-CG 3.69Å; I72-W85 HydrophobicContact CD1-CZ2 4.37Å; I72-W85 HydrophobicContact CG1-CD2 3.73Å; I72-W85 HydrophobicContact CG1-CE3 3.96Å; I72-W85 HydrophobicContact CG1-CG 4.23Å; I72-W85 HydrophobicContact CG1-CH2 4.24Å; I72-W85 HydrophobicContact CG1-CZ2 4.02Å; I72-W85 HydrophobicContact CG1-CZ3 4.21Å; I72-W85 HydrophobicContact CG2-CD2 4.36Å; I72-W85 HydrophobicContact CG2-CE3 4.11Å; I72-Q86 HydrophobicContact CB-CG 4.21Å; I72-Q86 HydrophobicContact CD1-CG 4.37Å; I72-Q86 HydrophobicContact CG2-CG 3.65Å; I72-T89 HydrophobicContact CD1-CG2 4.23Å
73	E	96.3	Very high	97.4	Very high	106 Å²	106	73.6 Å²	73.6	50%	0.495	37%	0.37	S	S	.	.	H	α-helix	trans	-61.8	-35.5	177.6	-76.9	-179.2	-176.1	0	0	112.7	N69	N69-E73 VanDerWaalsContact ND2-CD 3.34Å; N69-E73 PolarHBondContact ND2-OE1 3.47Å; N69-E73 WeakPolarHBondContact O-CB 3.47Å; N69-E73 WeakPolarHBondContact O-CG 3.46Å; N69-E73 PolarHBondContact O-N 2.91Å
74	K	97.2	Very high	97.4	Very high	171 Å²	171	68 Å²	68	74%	0.743	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.1	-3.4	178.7	-65.1	172.3	-172.8	166.5	0	113.2	D70 H71 I72	D70-K74 WeakPolarHBondContact O-CB 3.07Å; D70-K74 WeakPolarHBondContact O-CD 3.04Å; D70-K74 VanDerWaalsContact O-CG 3.3Å; D70-K74 WeakPolarHBondContact O-CG 3.36Å; D70-K74 PolarHBondContact O-N 2.92Å; H71-K74 PolarHBondContact O-N 3.37Å; I72-K74 VanDerWaalsContact C-N 3.28Å; I72-K74 PolarHBondContact O-N 2.72Å
75	G	96.1	Very high	97.3	Very high	24 Å²	24	68.5 Å²	68.5	25%	0.247	35%	0.348	C	S	.	.	S	Bend	trans	-78	-171.8	-175.2	0	0	0	0	0	113.2	H71 I72 Y78	H71-G75 PolarHBondContact O-N 2.94Å; I72-G75 PolarHBondContact O-N 2.82Å; I72-G75 VanDerWaalsContact O-N 3.17Å; G75-Y78 PolarHBondContact O-OH 2.97Å; G75-Y78 VanDerWaalsContact O-OH 3.1Å
76	A	95	Very high	97.3	Very high	88 Å²	88	70 Å²	70	73%	0.727	36%	0.355	S	S	*	.	S	Bend	trans	-96.6	0.6	177.4	0	0	0	0	0	113.3	Y78	A76-Y78 VanDerWaalsContact O-CD2 3.22Å; A76-Y78 WeakPolarHBondContact O-CD2 3.27Å; A76-Y78 WeakPolarHBondContact O-CE2 3.43Å
77	E	95.8	Very high	97.3	Very high	74 Å²	74	64.1 Å²	64.1	35%	0.346	33%	0.331	S	S	.	.			trans	-87.1	133.2	176.2	-166.3	63.4	-143.6	0	0	109.3	S81 Q82 W85	E77-S81 WeakPolarHBondContact OE1-CB 3.47Å; E77-S81 PolarHBondContact OE1-OG 2.72Å; E77-Q82 HydrophobicContact CG-CB 4.15Å; E77-Q82 WeakPolarHBondContact O-CG 3.41Å; E77-Q82 PolarHBondContact O-NE2 2.82Å; E77-W85 HydrophobicContact CB-CE3 4.19Å; E77-W85 HydrophobicContact CB-CZ3 4.18Å; E77-W85 HydrophobicContact CG-CE3 4.16Å
78	Y	93.9	Very high	97.3	Very high	105 Å²	105	61.3 Å²	61.3	41%	0.412	32%	0.321	S	S	.	.			trans	-134.5	-177.8	-177.8	-55.7	-71.1	0	0	0	111.1	G75 A76 Q82 W288	G75-Y78 PolarHBondContact O-OH 2.97Å; G75-Y78 VanDerWaalsContact O-OH 3.1Å; A76-Y78 VanDerWaalsContact O-CD2 3.22Å; A76-Y78 WeakPolarHBondContact O-CD2 3.27Å; A76-Y78 WeakPolarHBondContact O-CE2 3.43Å; Y78-Q82 PolarHBondContact O-N 3.16Å; Y78-W288 HydrophobicContact CD2-CZ3 4.3Å; Y78-W288 HydrophobicContact CE2-CZ3 4.48Å
79	G	96.2	Very high	97.3	Very high	31 Å²	31	57 Å²	57	32%	0.32	31%	0.305	S	S	.	.	H	α-helix	trans	67.8	-154.8	171.4	0	0	0	0	0	113.4	S81 Q82 V83 D284	G79-S81 VanDerWaalsContact C-N 3.3Å; G79-S81 PolarHBondContact O-N 2.88Å; G79-Q82 PolarHBondContact O-N 3.33Å; G79-V83 PolarHBondContact O-N 2.83Å; G79-D284 WeakPolarHBondContact CA-OD1 3.42Å
80	S	97.7	Very high	97.3	Very high	25 Å²	25	59.8 Å²	59.8	18%	0.175	32%	0.323	C	S	.	.	H	α-helix	trans	-65.6	-32.6	-178.7	74.3	0	0	0	0	112.9	V83 A84 A279 D280 D284	S80-V83 PolarHBondContact O-N 2.99Å; S80-A84 WeakPolarHBondContact O-CB 3.46Å; S80-A84 PolarHBondContact O-N 3.14Å; S80-A279 WeakPolarHBondContact OG-CA 3.18Å; S80-D280 PolarHBondContact OG-N 3.16Å; S80-D284 WeakPolarHBondContact CB-OD2 3.32Å; S80-D284 VanDerWaalsContact N-CG 3.3Å; S80-D284 PolarHBondContact N-OD1 3.23Å; S80-D284 PolarHBondContact N-OD2 3.05Å; S80-D284 PolarHBondContact OG-OD1 3.39Å; S80-D284 PolarHBondContact OG-OD2 3.22Å
81	S	96.6	Very high	97.3	Very high	48 Å²	48	58 Å²	58	34%	0.336	31%	0.313	S	S	.	.	H	α-helix	trans	-61.9	-42.6	174.4	176.3	0	0	0	0	112.6	E77 G79 V83 A84 W85 D284	E77-S81 WeakPolarHBondContact OE1-CB 3.47Å; E77-S81 PolarHBondContact OE1-OG 2.72Å; G79-S81 VanDerWaalsContact C-N 3.3Å; G79-S81 PolarHBondContact O-N 2.88Å; S81-V83 PolarHBondContact O-N 2.65Å; S81-A84 PolarHBondContact O-N 3.39Å; S81-W85 PolarHBondContact O-N 2.86Å; S81-D284 PolarHBondContact N-OD2 2.95Å
82	Q	98	Very high	97.3	Very high	31 Å²	31	52.9 Å²	52.9	15%	0.145	29%	0.289	C	S	.	.	H	α-helix	trans	-59.2	-46.1	174	-172.8	-174.1	29.7	0	0	111.8	I72 E77 Y78 G79 W85 Q86	I72-Q82 HydrophobicContact CG2-CG 3.65Å; I72-Q82 PolarHBondContact O-NE2 2.85Å; I72-Q82 VanDerWaalsContact O-NE2 3.1Å; E77-Q82 HydrophobicContact CG-CB 4.15Å; E77-Q82 WeakPolarHBondContact O-CG 3.41Å; E77-Q82 PolarHBondContact O-NE2 2.82Å; Y78-Q82 PolarHBondContact O-N 3.16Å; G79-Q82 PolarHBondContact O-N 3.33Å; Q82-W85 PolarHBondContact O-N 2.78Å; Q82-Q86 WeakPolarHBondContact O-CB 3.24Å; Q82-Q86 WeakPolarHBondContact O-CG 3.35Å; Q82-Q86 PolarHBondContact O-N 3.42Å
83	V	98	Very high	97.3	Very high	72 Å²	72	57.6 Å²	57.6	44%	0.436	31%	0.307	S	S	.	.	H	α-helix	trans	-65.5	-40.8	-180	-179.7	0	0	0	0	110.9	G79 S80 S81 W85 Q86 S87 V275	G79-V83 PolarHBondContact O-N 2.83Å; S80-V83 PolarHBondContact O-N 2.99Å; S81-V83 PolarHBondContact O-N 2.65Å; V83-W85 VanDerWaalsContact C-N 3.33Å; V83-W85 PolarHBondContact O-N 2.93Å; V83-Q86 PolarHBondContact O-N 2.89Å; V83-S87 PolarHBondContact O-N 3.4Å; V83-V275 HydrophobicContact CG1-CG1 3.81Å
84	A	98.3	Very high	97.4	Very high	13 Å²	13	54.4 Å²	54.4	11%	0.107	30%	0.297	C	S	.	.	H	α-helix	trans	-59.8	-42.5	173.4	0	0	0	0	0	111.9	S80 S81 S87 I276 A279	S80-A84 WeakPolarHBondContact O-CB 3.46Å; S80-A84 PolarHBondContact O-N 3.14Å; S81-A84 PolarHBondContact O-N 3.39Å; A84-S87 WeakPolarHBondContact O-CB 3.46Å; A84-S87 PolarHBondContact O-N 3.42Å; A84-S87 PolarHBondContact O-OG 2.9Å; A84-I276 HydrophobicContact CB-CG1 4.45Å; A84-A279 HydrophobicContact CB-CB 4.07Å
85	W	98	Very high	97.4	Very high	111 Å²	111	48.9 Å²	48.9	42%	0.42	27%	0.271	S	S	.	.	H	α-helix	trans	-66.3	-44.1	175.1	-170.2	6.1	0	0	0	112.4	I72 E77 S81 Q82 V83 S87 L88	I72-W85 HydrophobicContact CD1-CB 4.45Å; I72-W85 HydrophobicContact CD1-CD2 3.7Å; I72-W85 HydrophobicContact CD1-CE3 4.41Å; I72-W85 HydrophobicContact CD1-CG 3.69Å; I72-W85 HydrophobicContact CD1-CZ2 4.37Å; I72-W85 HydrophobicContact CG1-CD2 3.73Å; I72-W85 HydrophobicContact CG1-CE3 3.96Å; I72-W85 HydrophobicContact CG1-CG 4.23Å; I72-W85 HydrophobicContact CG1-CH2 4.24Å; I72-W85 HydrophobicContact CG1-CZ2 4.02Å; I72-W85 HydrophobicContact CG1-CZ3 4.21Å; I72-W85 HydrophobicContact CG2-CD2 4.36Å; I72-W85 HydrophobicContact CG2-CE3 4.11Å; E77-W85 HydrophobicContact CB-CE3 4.19Å; E77-W85 HydrophobicContact CB-CZ3 4.18Å; E77-W85 HydrophobicContact CG-CE3 4.16Å; S81-W85 PolarHBondContact O-N 2.86Å; Q82-W85 PolarHBondContact O-N 2.78Å; V83-W85 VanDerWaalsContact C-N 3.33Å; V83-W85 PolarHBondContact O-N 2.93Å; W85-S87 PolarHBondContact O-N 2.74Å; W85-L88 PolarHBondContact O-N 3.42Å
86	Q	98.2	Very high	97.5	Very high	32 Å²	32	47.8 Å²	47.8	15%	0.15	26%	0.259	C	S	.	.	H	α-helix	trans	-61.5	-26.3	177.1	-75.3	174.7	-31.6	0	0	112.9	I72 Q82 V83 L88 T89 V90	I72-Q86 HydrophobicContact CB-CG 4.21Å; I72-Q86 HydrophobicContact CD1-CG 4.37Å; I72-Q86 HydrophobicContact CG2-CG 3.65Å; Q82-Q86 WeakPolarHBondContact O-CB 3.24Å; Q82-Q86 WeakPolarHBondContact O-CG 3.35Å; Q82-Q86 PolarHBondContact O-N 3.42Å; V83-Q86 PolarHBondContact O-N 2.89Å; Q86-L88 PolarHBondContact O-N 3.41Å; Q86-L88 VanDerWaalsContact O-N 3.15Å; Q86-T89 WeakPolarHBondContact O-CA 3.32Å; Q86-T89 WeakPolarHBondContact O-CB 3.35Å; Q86-T89 PolarHBondContact O-N 3.1Å; Q86-T89 PolarHBondContact O-OG1 2.98Å; Q86-V90 PolarHBondContact O-N 2.9Å; Q86-V90 VanDerWaalsContact O-N 3.15Å
87	S	98.2	Very high	97.6	Very high	10 Å²	10	47.8 Å²	47.8	7%	0.07	25%	0.247	C	C	.	.	H	α-helix	trans	-56.3	-30.4	177.7	79.9	0	0	0	0	113.3	V83 A84 W85 T89 V90 E91	V83-S87 PolarHBondContact O-N 3.4Å; A84-S87 WeakPolarHBondContact O-CB 3.46Å; A84-S87 PolarHBondContact O-N 3.42Å; A84-S87 PolarHBondContact O-OG 2.9Å; W85-S87 PolarHBondContact O-N 2.74Å; S87-T89 VanDerWaalsContact C-N 3.33Å; S87-T89 PolarHBondContact O-N 3.38Å; S87-V90 PolarHBondContact O-N 3.48Å; S87-E91 PolarHBondContact O-N 2.88Å
88	L	98.1	Very high	97.7	Very high	68 Å²	68	45 Å²	45	36%	0.356	23%	0.234	S	C	.	.	H	α-helix	trans	-65.6	-36.9	174.3	-76.1	72.9	0	0	0	111.6	W64 W85 Q86 V90 A92 M272	W64-L88 HydrophobicContact CH2-CB 4.29Å; W85-L88 PolarHBondContact O-N 3.42Å; Q86-L88 PolarHBondContact O-N 3.41Å; Q86-L88 VanDerWaalsContact O-N 3.15Å; L88-V90 VanDerWaalsContact C-N 3.33Å; L88-A92 PolarHBondContact O-N 3.34Å; L88-A92 VanDerWaalsContact O-N 3.16Å; L88-M272 HydrophobicContact CD1-CE 4.49Å; L88-M272 HydrophobicContact CG-CE 4.37Å
89	T	98.3	Very high	97.9	Very high	2 Å²	2	41.3 Å²	41.3	1%	0.012	22%	0.221	C	C	.	.	H	α-helix	trans	-73.7	-30.4	178.3	75.6	0	0	0	0	111.7	W64 S65 W68 N69 I72 Q86 S87 R93	W64-T89 HydrophobicContact CZ3-CG2 4.44Å; S65-T89 VanDerWaalsContact CB-O 3.32Å; S65-T89 WeakPolarHBondContact CB-O 3.46Å; S65-T89 PolarHBondContact OG-O 2.77Å; W68-T89 HydrophobicContact CB-CG2 3.95Å; N69-T89 HydrophobicContact CB-CG2 4.27Å; N69-T89 PolarHBondContact OD1-OG1 2.98Å; I72-T89 HydrophobicContact CD1-CG2 4.23Å; Q86-T89 WeakPolarHBondContact O-CA 3.32Å; Q86-T89 WeakPolarHBondContact O-CB 3.35Å; Q86-T89 PolarHBondContact O-N 3.1Å; Q86-T89 PolarHBondContact O-OG1 2.98Å; S87-T89 VanDerWaalsContact C-N 3.33Å; S87-T89 PolarHBondContact O-N 3.38Å; T89-R93 WeakPolarHBondContact O-CB 3.09Å; T89-R93 PolarHBondContact O-N 3.07Å; T89-R93 VanDerWaalsContact O-N 3.11Å
90	V	98.3	Very high	98	Very high	77 Å²	77	40.4 Å²	40.4	47%	0.467	21%	0.211	S	C	.	.	H	α-helix	trans	-68.6	-45.7	173.7	176.9	0	0	0	0	110.3	Q86 S87 L88 A92 R93 S94	Q86-V90 PolarHBondContact O-N 2.9Å; Q86-V90 VanDerWaalsContact O-N 3.15Å; S87-V90 PolarHBondContact O-N 3.48Å; L88-V90 VanDerWaalsContact C-N 3.33Å; V90-A92 PolarHBondContact O-N 2.97Å; V90-R93 PolarHBondContact O-N 3.41Å; V90-S94 PolarHBondContact O-N 2.99Å; V90-S94 PolarHBondContact O-OG 3.16Å
91	E	98	Very high	98	Very high	20 Å²	20	43.9 Å²	43.9	9%	0.093	23%	0.225	C	C	.	.	H	α-helix	trans	-52.6	-53.1	173.2	-178.4	-76.7	153.7	0	0	111	S87 R93 S94 R95 I268 Y269 M272	S87-E91 PolarHBondContact O-N 2.88Å; E91-R93 VanDerWaalsContact C-N 3.29Å; E91-R93 PolarHBondContact O-N 2.91Å; E91-S94 PolarHBondContact O-N 2.65Å; E91-R95 WeakPolarHBondContact O-CB 3.29Å; E91-R95 PolarHBondContact O-N 3.43Å; E91-R95 WeakPolarHBondContact OE1-CD 3.12Å; E91-R95 IonicContact OE1-CZ 3.6Å; E91-R95 IonicContact OE1-NE 2.76Å; E91-R95 IonicContact OE1-NH1 2.74Å; E91-R95 PolarHBondContact OE1-NH1 2.84Å; E91-R95 IonicContact OE2-NH1 2.65Å; E91-I268 HydrophobicContact CB-CG2 4.12Å; E91-I268 HydrophobicContact CG-CG2 3.69Å; E91-Y269 HydrophobicContact CG-CD1 4.42Å; E91-Y269 HydrophobicContact CG-CE1 4.07Å; E91-Y269 PolarHBondContact OE1-OH 3.05Å; E91-M272 HydrophobicContact CB-SD 3.84Å; E91-M272 HydrophobicContact CG-SD 3.89Å
92	A	98.4	Very high	98.1	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.008	21%	0.21	C	C	.	.	H	α-helix	trans	-61.4	-39	-177.3	0	0	0	0	0	112	L61 W64 L88 V90 A96	L61-A92 HydrophobicContact CD2-CB 4.13Å; W64-A92 HydrophobicContact CE3-CB 3.56Å; W64-A92 HydrophobicContact CZ3-CB 3.49Å; W64-A92 VanDerWaalsContact CZ3-CB 3.49Å; L88-A92 PolarHBondContact O-N 3.34Å; L88-A92 VanDerWaalsContact O-N 3.16Å; V90-A92 PolarHBondContact O-N 2.97Å; A92-A96 WeakPolarHBondContact O-CB 3.33Å; A92-A96 PolarHBondContact O-N 3.25Å
93	R	98.4	Very high	98.1	Very high	100 Å²	100	44.5 Å²	44.5	38%	0.377	22%	0.219	S	C	.	.	H	α-helix	trans	-64.5	-48.9	175.9	-173.6	176.8	-60.8	166	4.1	111.5	T89 V90 E91 R95 A96 D97	T89-R93 WeakPolarHBondContact O-CB 3.09Å; T89-R93 PolarHBondContact O-N 3.07Å; T89-R93 VanDerWaalsContact O-N 3.11Å; V90-R93 PolarHBondContact O-N 3.41Å; E91-R93 VanDerWaalsContact C-N 3.29Å; E91-R93 PolarHBondContact O-N 2.91Å; R93-R95 VanDerWaalsContact C-N 3.32Å; R93-R95 PolarHBondContact O-N 3.44Å; R93-A96 WeakPolarHBondContact O-CB 3.49Å; R93-A96 PolarHBondContact O-N 3.33Å; R93-D97 PolarHBondContact O-N 2.87Å
94	S	98	Very high	98.2	Very high	40 Å²	40	43.9 Å²	43.9	28%	0.28	21%	0.213	S	C	.	.	H	α-helix	trans	-66.1	-35.4	179.3	-62.4	0	0	0	0	112.4	V90 E91 D97 L98	V90-S94 PolarHBondContact O-N 2.99Å; V90-S94 PolarHBondContact O-OG 3.16Å; E91-S94 PolarHBondContact O-N 2.65Å; S94-D97 PolarHBondContact O-N 3.35Å; S94-L98 PolarHBondContact O-N 2.94Å
95	R	97.4	Very high	98.1	Very high	55 Å²	55	46 Å²	46	21%	0.208	22%	0.218	C	C	.	.	H	α-helix	trans	-66.9	-40.1	172.8	-169.9	168.6	80.1	-153.8	9.5	111.3	Y57 L61 E91 R93 D97 L98 H99	Y57-R95 PolarHBondContact OH-NE 3.25Å; Y57-R95 PolarHBondContact OH-NH2 3.4Å; L61-R95 HydrophobicContact CD1-CB 4.23Å; L61-R95 HydrophobicContact CD1-CG 4.15Å; E91-R95 WeakPolarHBondContact O-CB 3.29Å; E91-R95 PolarHBondContact O-N 3.43Å; E91-R95 WeakPolarHBondContact OE1-CD 3.12Å; E91-R95 IonicContact OE1-CZ 3.6Å; E91-R95 IonicContact OE1-NE 2.76Å; E91-R95 IonicContact OE1-NH1 2.74Å; E91-R95 PolarHBondContact OE1-NH1 2.84Å; E91-R95 IonicContact OE2-NH1 2.65Å; R93-R95 VanDerWaalsContact C-N 3.32Å; R93-R95 PolarHBondContact O-N 3.44Å; R95-D97 VanDerWaalsContact C-N 3.31Å; R95-D97 PolarHBondContact O-N 3.04Å; R95-L98 WeakPolarHBondContact O-CB 3.23Å; R95-L98 PolarHBondContact O-N 2.88Å; R95-H99 PolarHBondContact O-CD2 3.15Å; R95-H99 VanDerWaalsContact O-CD2 3.3Å; R95-H99 PolarHBondContact O-N 3.4Å
96	A	98.4	Very high	98.2	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-57.8	-44	173.4	0	0	0	0	0	112	A58 L61 H62 A92 R93 L98 H99 G100	A58-A96 HydrophobicContact CB-CB 4.27Å; A58-A96 VanDerWaalsContact CB-O 3.28Å; A58-A96 WeakPolarHBondContact CB-O 3.3Å; A58-A96 WeakPolarHBondContact O-CB 3.34Å; L61-A96 HydrophobicContact CB-CB 3.73Å; L61-A96 HydrophobicContact CD1-CB 4.31Å; H62-A96 VanDerWaalsContact CD2-CB 3.46Å; H62-A96 WeakPolarHBondContact CD2-CB 3.19Å; H62-A96 WeakPolarHBondContact NE2-CB 3.5Å; A92-A96 WeakPolarHBondContact O-CB 3.33Å; A92-A96 PolarHBondContact O-N 3.25Å; R93-A96 WeakPolarHBondContact O-CB 3.49Å; R93-A96 PolarHBondContact O-N 3.33Å; A96-L98 VanDerWaalsContact C-N 3.32Å; A96-L98 PolarHBondContact O-N 3.01Å; A96-H99 PolarHBondContact O-N 3.49Å; A96-G100 PolarHBondContact O-N 2.95Å
97	D	97.9	Very high	98.2	Very high	89 Å²	89	40.9 Å²	40.9	48%	0.476	20%	0.2	S	C	.	.	H	α-helix	trans	-60.3	-40.7	176.3	-64.3	-35.2	0	0	0	111.7	H62 R93 S94 R95 G100 H101	H62-D97 IonicContact CE1-OD1 3.44Å; H62-D97 PolarHBondContact CE1-OD1 3.4Å; H62-D97 IonicContact NE2-OD1 3.08Å; H62-D97 PolarHBondContact NE2-OD1 3.34Å; R93-D97 PolarHBondContact O-N 2.87Å; S94-D97 PolarHBondContact O-N 3.35Å; R95-D97 VanDerWaalsContact C-N 3.31Å; R95-D97 PolarHBondContact O-N 3.04Å; D97-G100 PolarHBondContact O-N 3.02Å; D97-H101 PolarHBondContact O-N 3.26Å
98	L	97.8	Very high	98.2	Very high	14 Å²	14	45.7 Å²	45.7	7%	0.073	23%	0.225	C	C	.	.	H	α-helix	trans	-61.8	-47.4	175.5	-70.1	178.6	0	0	0	111.9	S94 R95 A96 G100 H101 V102 E262 K264 L265 I268	S94-L98 PolarHBondContact O-N 2.94Å; R95-L98 WeakPolarHBondContact O-CB 3.23Å; R95-L98 PolarHBondContact O-N 2.88Å; A96-L98 VanDerWaalsContact C-N 3.32Å; A96-L98 PolarHBondContact O-N 3.01Å; L98-G100 VanDerWaalsContact C-N 3.34Å; L98-G100 PolarHBondContact O-N 3.39Å; L98-H101 WeakPolarHBondContact O-CB 3.23Å; L98-H101 PolarHBondContact O-N 2.95Å; L98-H101 VanDerWaalsContact O-N 3.14Å; L98-V102 WeakPolarHBondContact O-CG2 3.44Å; L98-V102 PolarHBondContact O-N 3.43Å; L98-E262 HydrophobicContact CD2-CG 4.02Å; L98-K264 HydrophobicContact CD2-CB 4.12Å; L98-K264 HydrophobicContact CD2-CD 4.19Å; L98-L265 HydrophobicContact CD1-CB 4.14Å; L98-L265 HydrophobicContact CD1-CD1 3.98Å; L98-I268 HydrophobicContact CD1-CD1 3.65Å; L98-I268 HydrophobicContact CG-CD1 4.35Å
99	H	98.4	Very high	98.2	Very high	29 Å²	29	46.8 Å²	46.8	13%	0.134	23%	0.228	C	C	.	.	H	α-helix	trans	-67.9	-33.6	177.5	-78.4	-88.3	0	0	0	112.6	E54 Y57 A58 R95 A96 H101 V102 R103	E54-H99 IonicContact OE2-CE1 3.65Å; E54-H99 IonicContact OE2-CG 2.85Å; E54-H99 IonicContact OE2-ND1 2.65Å; E54-H99 PolarHBondContact OE2-ND1 2.99Å; Y57-H99 HydrophobicContact CD1-CB 4.33Å; Y57-H99 AromaticContact CD1-CD2 3.8Å; Y57-H99 AromaticContact CD1-CE1 3.81Å; Y57-H99 AromaticContact CD1-CG 3.69Å; Y57-H99 AromaticContact CD1-ND1 3.69Å; Y57-H99 AromaticContact CD1-NE2 3.88Å; Y57-H99 AromaticContact CE1-CD2 3.64Å; Y57-H99 AromaticContact CE1-CE1 3.75Å; Y57-H99 AromaticContact CE1-NE2 3.46Å; Y57-H99 WeakPolarHBondContact CE1-NE2 3.1Å; A58-H99 HydrophobicContact CB-CB 4.11Å; R95-H99 PolarHBondContact O-CD2 3.15Å; R95-H99 VanDerWaalsContact O-CD2 3.3Å; R95-H99 PolarHBondContact O-N 3.4Å; A96-H99 PolarHBondContact O-N 3.49Å; H99-H101 VanDerWaalsContact C-N 3.29Å; H99-H101 PolarHBondContact O-N 3.36Å; H99-V102 PolarHBondContact O-N 2.9Å; H99-R103 PolarHBondContact O-N 3.17Å
100	G	98.2	Very high	98.2	Very high	11 Å²	11	46.7 Å²	46.7	11%	0.113	23%	0.228	C	C	.	.	H	α-helix	trans	-59.9	-39.8	169.1	0	0	0	0	0	112.1	A96 D97 L98 R103 D104	A96-G100 PolarHBondContact O-N 2.95Å; D97-G100 PolarHBondContact O-N 3.02Å; L98-G100 VanDerWaalsContact C-N 3.34Å; L98-G100 PolarHBondContact O-N 3.39Å; G100-R103 WeakPolarHBondContact O-CB 3.17Å; G100-R103 PolarHBondContact O-N 2.92Å; G100-D104 PolarHBondContact O-N 3.49Å; G100-D104 VanDerWaalsContact O-N 3.12Å
101	H	97.5	Very high	98.2	Very high	98 Å²	98	43.1 Å²	43.1	45%	0.454	21%	0.206	S	C	.	.	H	α-helix	trans	-67.5	-39.7	174.1	-169	52.2	0	0	0	112.5	D97 L98 H99 R103 D104 R105	D97-H101 PolarHBondContact O-N 3.26Å; L98-H101 WeakPolarHBondContact O-CB 3.23Å; L98-H101 PolarHBondContact O-N 2.95Å; L98-H101 VanDerWaalsContact O-N 3.14Å; H99-H101 VanDerWaalsContact C-N 3.29Å; H99-H101 PolarHBondContact O-N 3.36Å; H101-R103 VanDerWaalsContact C-N 3.33Å; H101-R103 PolarHBondContact O-N 3.42Å; H101-D104 PolarHBondContact O-N 3.17Å; H101-R105 WeakPolarHBondContact NE2-CD 3.37Å; H101-R105 VanDerWaalsContact O-CG 3.32Å; H101-R105 WeakPolarHBondContact O-CG 3.45Å; H101-R105 PolarHBondContact O-N 2.91Å
102	V	98.4	Very high	98.2	Very high	4 Å²	4	45 Å²	45	2%	0.024	22%	0.221	C	C	.	.	H	α-helix	trans	-57.4	-46	173.3	176.7	0	0	0	0	110.9	E54 L98 H99 D104 R105 L106 C256 L257 L259	E54-V102 HydrophobicContact CG-CB 4.49Å; E54-V102 HydrophobicContact CG-CG1 3.92Å; L98-V102 WeakPolarHBondContact O-CG2 3.44Å; L98-V102 PolarHBondContact O-N 3.43Å; H99-V102 PolarHBondContact O-N 2.9Å; V102-D104 VanDerWaalsContact C-N 3.33Å; V102-D104 PolarHBondContact O-N 3.23Å; V102-R105 PolarHBondContact O-N 2.98Å; V102-L106 HydrophobicContact CG1-CD1 4.09Å; V102-L106 HydrophobicContact CG1-CG 4.41Å; V102-L106 WeakPolarHBondContact O-CB 3.43Å; V102-L106 WeakPolarHBondContact O-CG 3.35Å; V102-L106 PolarHBondContact O-N 3.45Å; V102-C256 WeakPolarHBondContact CG2-O 3.45Å; V102-L257 HydrophobicContact CG1-CD2 3.71Å; V102-L259 HydrophobicContact CG2-CD1 4.39Å; V102-L259 HydrophobicContact CG2-CD2 3.75Å; V102-L259 HydrophobicContact CG2-CG 4.26Å
103	R	98.5	Very high	98.2	Very high	89 Å²	89	47.6 Å²	47.6	34%	0.336	24%	0.237	S	C	.	.	H	α-helix	trans	-54.7	-49.1	174.2	171.5	-151.9	72.6	-162.1	-6.8	111.4	S51 E54 A55 H99 G100 H101 L106 N107	S51-R103 WeakPolarHBondContact O-CG 3.29Å; E54-R103 HydrophobicContact CB-CB 4.23Å; A55-R103 HydrophobicContact CB-CG 4.14Å; H99-R103 PolarHBondContact O-N 3.17Å; G100-R103 WeakPolarHBondContact O-CB 3.17Å; G100-R103 PolarHBondContact O-N 2.92Å; H101-R103 VanDerWaalsContact C-N 3.33Å; H101-R103 PolarHBondContact O-N 3.42Å; R103-L106 PolarHBondContact O-N 3.16Å; R103-N107 PolarHBondContact O-N 3.1Å; R103-N107 VanDerWaalsContact O-N 3.09Å; R103-N107 PolarHBondContact O-ND2 2.82Å
104	D	98.5	Very high	98.2	Very high	59 Å²	59	42.9 Å²	42.9	32%	0.316	22%	0.219	S	C	.	.	H	α-helix	trans	-64.1	-46	-177	-69.1	-20.6	0	0	0	111	G100 H101 V102 L106 N107 D108	G100-D104 PolarHBondContact O-N 3.49Å; G100-D104 VanDerWaalsContact O-N 3.12Å; H101-D104 PolarHBondContact O-N 3.17Å; V102-D104 VanDerWaalsContact C-N 3.33Å; V102-D104 PolarHBondContact O-N 3.23Å; D104-L106 PolarHBondContact O-N 3.43Å; D104-N107 PolarHBondContact O-N 3.49Å; D104-N107 VanDerWaalsContact O-N 3.1Å; D104-D108 WeakPolarHBondContact O-CB 3.38Å; D104-D108 PolarHBondContact O-N 3.1Å
105	R	98.1	Very high	98.2	Very high	58 Å²	58	45 Å²	45	22%	0.219	22%	0.224	C	C	.	.	H	α-helix	trans	-61.8	-42.2	177.1	-65.7	-175.8	65.1	-146.5	-10.6	112.5	H101 V102 N107 D108 E109 A255 C256	H101-R105 WeakPolarHBondContact NE2-CD 3.37Å; H101-R105 VanDerWaalsContact O-CG 3.32Å; H101-R105 WeakPolarHBondContact O-CG 3.45Å; H101-R105 PolarHBondContact O-N 2.91Å; V102-R105 PolarHBondContact O-N 2.98Å; R105-N107 VanDerWaalsContact C-N 3.28Å; R105-N107 PolarHBondContact O-N 3.35Å; R105-D108 PolarHBondContact O-N 3.12Å; R105-E109 HydrophobicContact CB-CG 4.47Å; R105-E109 VanDerWaalsContact CG-OE1 3.31Å; R105-E109 WeakPolarHBondContact CG-OE1 3.29Å; R105-E109 IonicContact CZ-OE1 3.34Å; R105-E109 IonicContact CZ-OE2 3.5Å; R105-E109 IonicContact NE-OE1 3.18Å; R105-E109 PolarHBondContact NE-OE1 2.74Å; R105-E109 IonicContact NE-OE2 2.97Å; R105-E109 PolarHBondContact NE-OE2 2.67Å; R105-E109 IonicContact NH2-OE1 2.7Å; R105-E109 IonicContact NH2-OE2 3.39Å; R105-E109 PolarHBondContact NH2-OE2 3.05Å; R105-E109 WeakPolarHBondContact O-CA 3.41Å; R105-E109 VanDerWaalsContact O-CB 3.23Å; R105-E109 WeakPolarHBondContact O-CB 3.14Å; R105-E109 PolarHBondContact O-N 2.95Å; R105-A255 PolarHBondContact NH1-O 3.12Å; R105-A255 PolarHBondContact NH2-O 2.97Å; R105-C256 HydrophobicContact CB-CB 4.3Å
106	L	98.6	Very high	98.2	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	24%	0.239	C	C	.	.	I	π-helix	trans	-59.9	-38.5	173.9	-74.9	172.5	0	0	0	112.3	M47 R50 E54 V102 R103 D104 V110 C111 V253 C256 L257	M47-L106 HydrophobicContact SD-CD2 4.4Å; R50-L106 HydrophobicContact CG-CD1 3.85Å; E54-L106 HydrophobicContact CG-CD1 4.4Å; V102-L106 HydrophobicContact CG1-CD1 4.09Å; V102-L106 HydrophobicContact CG1-CG 4.41Å; V102-L106 WeakPolarHBondContact O-CB 3.43Å; V102-L106 WeakPolarHBondContact O-CG 3.35Å; V102-L106 PolarHBondContact O-N 3.45Å; R103-L106 PolarHBondContact O-N 3.16Å; D104-L106 PolarHBondContact O-N 3.43Å; L106-V110 WeakPolarHBondContact O-CB 3.34Å; L106-C111 PolarHBondContact O-N 2.9Å; L106-C111 PolarHBondContact O-SG 3.11Å; L106-V253 HydrophobicContact CD2-CG1 4.26Å; L106-V253 HydrophobicContact CD2-CG2 4.49Å; L106-C256 HydrophobicContact CD2-CB 3.86Å; L106-C256 HydrophobicContact CG-CB 4.11Å; L106-L257 HydrophobicContact CD1-CD2 3.95Å; L106-L257 HydrophobicContact CD2-CD2 4.33Å; L106-L257 HydrophobicContact CG-CD2 4.47Å
107	N	98.4	Very high	98.2	Very high	35 Å²	35	49.5 Å²	49.5	19%	0.187	25%	0.248	C	C	.	.	I	π-helix	trans	-75.9	-42.4	179.4	-79.5	-61.9	0	0	0	112.7	S51 R103 D104 R105 C111 S112	S51-N107 VanDerWaalsContact CB-ND2 3.35Å; S51-N107 WeakPolarHBondContact CB-ND2 3.23Å; S51-N107 PolarHBondContact OG-ND2 3.21Å; R103-N107 PolarHBondContact O-N 3.1Å; R103-N107 VanDerWaalsContact O-N 3.09Å; R103-N107 PolarHBondContact O-ND2 2.82Å; D104-N107 PolarHBondContact O-N 3.49Å; D104-N107 VanDerWaalsContact O-N 3.1Å; R105-N107 VanDerWaalsContact C-N 3.28Å; R105-N107 PolarHBondContact O-N 3.35Å; N107-C111 WeakPolarHBondContact O-CB 3.34Å; N107-C111 PolarHBondContact O-N 3.38Å; N107-S112 WeakPolarHBondContact O-CB 3.34Å; N107-S112 PolarHBondContact O-N 3.2Å; N107-S112 PolarHBondContact O-OG 2.93Å
108	D	98.1	Very high	98.2	Very high	110 Å²	110	46.1 Å²	46.1	59%	0.588	23%	0.231	S	C	*	.	I	π-helix	trans	-87.3	-47.5	-171.8	-66	-17.7	0	0	0	112	D104 R105 S112	D104-D108 WeakPolarHBondContact O-CB 3.38Å; D104-D108 PolarHBondContact O-N 3.1Å; R105-D108 PolarHBondContact O-N 3.12Å; D108-S112 WeakPolarHBondContact O-CB 3.06Å
109	E	98	Very high	98.2	Very high	91 Å²	91	52.8 Å²	52.8	43%	0.425	26%	0.259	S	S	.	.	I	π-helix	trans	-83.1	-25.3	-176.2	-58.2	176.2	-156.3	0	0	112.7	R105 V113	R105-E109 HydrophobicContact CB-CG 4.47Å; R105-E109 VanDerWaalsContact CG-OE1 3.31Å; R105-E109 WeakPolarHBondContact CG-OE1 3.29Å; R105-E109 IonicContact CZ-OE1 3.34Å; R105-E109 IonicContact CZ-OE2 3.5Å; R105-E109 IonicContact NE-OE1 3.18Å; R105-E109 PolarHBondContact NE-OE1 2.74Å; R105-E109 IonicContact NE-OE2 2.97Å; R105-E109 PolarHBondContact NE-OE2 2.67Å; R105-E109 IonicContact NH2-OE1 2.7Å; R105-E109 IonicContact NH2-OE2 3.39Å; R105-E109 PolarHBondContact NH2-OE2 3.05Å; R105-E109 WeakPolarHBondContact O-CA 3.41Å; R105-E109 VanDerWaalsContact O-CB 3.23Å; R105-E109 WeakPolarHBondContact O-CB 3.14Å; R105-E109 PolarHBondContact O-N 2.95Å; E109-V113 WeakPolarHBondContact O-CB 3.43Å; E109-V113 WeakPolarHBondContact O-CG2 3.39Å
110	V	98.4	Very high	98.1	Very high	1 Å²	1	56.1 Å²	56.1	1%	0.006	28%	0.278	C	S	.	.	I	π-helix	trans	-112.1	-65.3	-178.7	-172.7	0	0	0	0	111.6	M47 L106 S112 V113 V114 V253	M47-V110 HydrophobicContact CG-CG1 3.99Å; L106-V110 WeakPolarHBondContact O-CB 3.34Å; V110-S112 PolarHBondContact O-N 3.25Å; V110-V113 PolarHBondContact O-N 3.24Å; V110-V114 HydrophobicContact CG1-CG2 4.33Å; V110-V114 VanDerWaalsContact O-CG2 3.32Å; V110-V114 WeakPolarHBondContact O-CG2 3.44Å; V110-V114 PolarHBondContact O-N 3.17Å; V110-V253 HydrophobicContact CB-CG2 4.36Å; V110-V253 HydrophobicContact CG1-CG2 3.73Å; V110-V253 HydrophobicContact CG2-CG2 3.88Å
111	C	98.5	Very high	98	Very high	2 Å²	2	57.7 Å²	57.7	1%	0.014	29%	0.286	C	S	.	.	I	π-helix	trans	-60.8	-43.8	-172.7	-63	0	0	0	0	112.3	T44 M47 L106 N107 K115	T44-C111 HydrophobicContact CG2-CB 4.2Å; M47-C111 WeakPolarHBondContact CB-SG 3.39Å; L106-C111 PolarHBondContact O-N 2.9Å; L106-C111 PolarHBondContact O-SG 3.11Å; N107-C111 WeakPolarHBondContact O-CB 3.34Å; N107-C111 PolarHBondContact O-N 3.38Å; C111-K115 WeakPolarHBondContact O-CB 3.43Å; C111-K115 VanDerWaalsContact O-CG 3.26Å; C111-K115 WeakPolarHBondContact O-CG 3.44Å; C111-K115 PolarHBondContact O-N 3.18Å; C111-K115 VanDerWaalsContact O-N 3.08Å
112	S	98.4	Very high	98	Very high	59 Å²	59	54 Å²	54	41%	0.413	27%	0.268	S	S	.	.	H	α-helix	trans	-69.4	-37.3	179.6	-61.8	0	0	0	0	111.9	N107 D108 V110 K115 L116	N107-S112 WeakPolarHBondContact O-CB 3.34Å; N107-S112 PolarHBondContact O-N 3.2Å; N107-S112 PolarHBondContact O-OG 2.93Å; D108-S112 WeakPolarHBondContact O-CB 3.06Å; V110-S112 PolarHBondContact O-N 3.25Å; S112-K115 PolarHBondContact O-N 2.71Å; S112-L116 WeakPolarHBondContact O-CB 3.5Å; S112-L116 PolarHBondContact O-N 3.28Å
113	V	98.6	Very high	97.9	Very high	55 Å²	55	58.1 Å²	58.1	33%	0.333	29%	0.287	S	S	.	.	H	α-helix	trans	-68	-43.4	176.7	179.3	0	0	0	0	111.6	E109 V110 K115 L116 W117 F245 M249	E109-V113 WeakPolarHBondContact O-CB 3.43Å; E109-V113 WeakPolarHBondContact O-CG2 3.39Å; V110-V113 PolarHBondContact O-N 3.24Å; V113-K115 PolarHBondContact O-N 2.76Å; V113-L116 PolarHBondContact O-N 3.34Å; V113-W117 VanDerWaalsContact O-CB 3.31Å; V113-W117 WeakPolarHBondContact O-CB 3.47Å; V113-W117 PolarHBondContact O-N 3.4Å; V113-F245 HydrophobicContact CG1-CE2 4.08Å; V113-F245 HydrophobicContact CG1-CZ 4.25Å; V113-M249 HydrophobicContact CB-SD 4.03Å; V113-M249 HydrophobicContact CG1-CE 3.8Å; V113-M249 HydrophobicContact CG1-SD 3.72Å
114	V	98.6	Very high	97.7	Very high	1 Å²	1	59.9 Å²	59.9	1%	0.006	30%	0.297	C	S	.	.	H	α-helix	trans	-60.6	-44.7	174.6	175.4	0	0	0	0	111.4	C40 L43 T44 V110 S118 F245 M249	C40-V114 HydrophobicContact CB-CG1 3.99Å; C40-V114 VanDerWaalsContact O-CG1 3.3Å; C40-V114 WeakPolarHBondContact O-CG1 3.38Å; L43-V114 HydrophobicContact CD2-CG2 3.99Å; T44-V114 VanDerWaalsContact OG1-CG1 3.29Å; T44-V114 WeakPolarHBondContact OG1-CG1 3.32Å; V110-V114 HydrophobicContact CG1-CG2 4.33Å; V110-V114 VanDerWaalsContact O-CG2 3.32Å; V110-V114 WeakPolarHBondContact O-CG2 3.44Å; V110-V114 PolarHBondContact O-N 3.17Å; V114-S118 VanDerWaalsContact O-CB 3.29Å; V114-S118 WeakPolarHBondContact O-CB 3.3Å; V114-S118 PolarHBondContact O-N 3.07Å; V114-F245 HydrophobicContact CB-CE1 4.42Å; V114-F245 HydrophobicContact CB-CZ 4.45Å; V114-F245 HydrophobicContact CG1-CE1 4.47Å; V114-F245 HydrophobicContact CG2-CE1 4.05Å; V114-F245 HydrophobicContact CG2-CZ 4.06Å; V114-M249 HydrophobicContact CG2-CB 4.3Å; V114-M249 HydrophobicContact CG2-CG 3.73Å; V114-M249 HydrophobicContact CG2-SD 3.85Å
115	K	97.8	Very high	97.3	Very high	86 Å²	86	60.4 Å²	60.4	37%	0.374	30%	0.3	S	S	.	.	H	α-helix	trans	-61.5	-45.3	176.4	-75.2	174.6	-174.4	175.6	0	112.1	T44 R48 C111 S112 V113 K119	T44-K115 HydrophobicContact CG2-CD 4.28Å; T44-K115 HydrophobicContact CG2-CG 4.06Å; R48-K115 VanDerWaalsContact CZ-NZ 3.34Å; C111-K115 WeakPolarHBondContact O-CB 3.43Å; C111-K115 VanDerWaalsContact O-CG 3.26Å; C111-K115 WeakPolarHBondContact O-CG 3.44Å; C111-K115 PolarHBondContact O-N 3.18Å; C111-K115 VanDerWaalsContact O-N 3.08Å; S112-K115 PolarHBondContact O-N 2.71Å; V113-K115 PolarHBondContact O-N 2.76Å; K115-K119 WeakPolarHBondContact O-CB 3.48Å; K115-K119 PolarHBondContact O-N 3.34Å
116	L	98	Very high	97	Very high	100 Å²	100	62.5 Å²	62.5	52%	0.524	33%	0.329	S	S	.	.	H	α-helix	trans	-64.2	-50.5	178.9	-178.3	61.7	0	0	0	111	S112 V113 S118 K119 D120	S112-L116 WeakPolarHBondContact O-CB 3.5Å; S112-L116 PolarHBondContact O-N 3.28Å; V113-L116 PolarHBondContact O-N 3.34Å; L116-S118 VanDerWaalsContact C-N 3.31Å; L116-S118 PolarHBondContact O-N 3.48Å; L116-K119 WeakPolarHBondContact O-CB 3.38Å; L116-K119 PolarHBondContact O-N 3.35Å; L116-K119 VanDerWaalsContact O-N 3.07Å; L116-D120 PolarHBondContact O-N 3.19Å
117	W	98.5	Very high	96.7	Very high	49 Å²	49	71.2 Å²	71.2	19%	0.186	37%	0.368	C	S	.	.	H	α-helix	trans	-58.9	-41.8	178.1	-176.6	91	0	0	0	112.2	V113 K119 D120 T121 F122 R242 F245	V113-W117 VanDerWaalsContact O-CB 3.31Å; V113-W117 WeakPolarHBondContact O-CB 3.47Å; V113-W117 PolarHBondContact O-N 3.4Å; W117-K119 VanDerWaalsContact C-N 3.33Å; W117-K119 PolarHBondContact O-N 3.31Å; W117-D120 PolarHBondContact O-N 2.85Å; W117-T121 VanDerWaalsContact CE2-OG1 3.3Å; W117-T121 HydrophobicContact CH2-CG2 3.81Å; W117-T121 HydrophobicContact CZ2-CG2 3.95Å; W117-T121 HydrophobicContact CZ3-CG2 4.3Å; W117-T121 WeakPolarHBondContact O-CB 3.26Å; W117-T121 PolarHBondContact O-N 2.69Å; W117-T121 PolarHBondContact O-OG1 3.47Å; W117-F122 HydrophobicContact CH2-CE2 4.2Å; W117-F122 HydrophobicContact CH2-CZ 4.45Å; W117-F122 AromaticContact CZ3-CE2 3.72Å; W117-F122 HydrophobicContact CZ3-CE2 3.72Å; W117-F122 HydrophobicContact CZ3-CZ 4.37Å; W117-R242 HydrophobicContact CH2-CB 3.72Å; W117-R242 HydrophobicContact CH2-CG 3.7Å; W117-R242 HydrophobicContact CZ2-CB 4.47Å; W117-R242 HydrophobicContact CZ3-CG 4.02Å; W117-F245 HydrophobicContact CB-CD1 4.44Å; W117-F245 HydrophobicContact CB-CD2 4.32Å; W117-F245 HydrophobicContact CB-CE1 3.81Å; W117-F245 HydrophobicContact CB-CE2 3.66Å; W117-F245 HydrophobicContact CB-CZ 3.38Å; W117-F245 AromaticContact CD1-CD2 3.52Å; W117-F245 AromaticContact CD1-CE2 3.67Å; W117-F245 AromaticContact CD1-CG 3.86Å; W117-F245 HydrophobicContact CD2-CB 4.33Å; W117-F245 AromaticContact CD2-CD1 3.38Å; W117-F245 HydrophobicContact CD2-CD1 3.38Å; W117-F245 HydrophobicContact CD2-CD2 4.01Å; W117-F245 AromaticContact CD2-CE1 3.59Å; W117-F245 HydrophobicContact CD2-CE1 3.59Å; W117-F245 HydrophobicContact CD2-CE2 4.19Å; W117-F245 AromaticContact CD2-CG 3.61Å; W117-F245 HydrophobicContact CD2-CG 3.61Å; W117-F245 HydrophobicContact CD2-CZ 4Å; W117-F245 AromaticContact CE2-CD1 3.77Å; W117-F245 AromaticContact CE2-CG 3.58Å; W117-F245 AromaticContact CE3-CD1 3.46Å; W117-F245 HydrophobicContact CE3-CD1 3.46Å; W117-F245 VanDerWaalsContact CE3-CD1 3.46Å; W117-F245 AromaticContact CE3-CE1 3.6Å; W117-F245 HydrophobicContact CE3-CE1 3.6Å; W117-F245 HydrophobicContact CE3-CG 4.16Å; W117-F245 HydrophobicContact CE3-CZ 4.39Å; W117-F245 AromaticContact CG-CD1 3.82Å; W117-F245 HydrophobicContact CG-CD1 3.82Å; W117-F245 AromaticContact CG-CD2 3.69Å; W117-F245 HydrophobicContact CG-CD2 3.69Å; W117-F245 AromaticContact CG-CE1 3.68Å; W117-F245 HydrophobicContact CG-CE1 3.68Å; W117-F245 AromaticContact CG-CE2 3.54Å; W117-F245 HydrophobicContact CG-CE2 3.54Å; W117-F245 AromaticContact CG-CG 3.83Å; W117-F245 HydrophobicContact CG-CG 3.83Å; W117-F245 AromaticContact CG-CZ 3.55Å; W117-F245 HydrophobicContact CG-CZ 3.55Å; W117-F245 HydrophobicContact CH2-CD1 4.33Å; W117-F245 HydrophobicContact CZ2-CB 3.94Å; W117-F245 HydrophobicContact CZ2-CD1 4.24Å; W117-F245 HydrophobicContact CZ2-CG 4.14Å; W117-F245 AromaticContact CZ3-CD1 3.95Å; W117-F245 HydrophobicContact CZ3-CD1 3.95Å; W117-F245 HydrophobicContact CZ3-CE1 4.43Å; W117-F245 AromaticContact NE1-CD2 3.73Å; W117-F245 AromaticContact NE1-CG 3.69Å
118	S	97.6	Very high	96.2	Very high	17 Å²	17	71.6 Å²	71.6	12%	0.119	38%	0.38	C	S	.	.	H	α-helix	trans	-63.3	-39.9	176.2	-178.9	0	0	0	0	111.8	V114 L116 F122	V114-S118 VanDerWaalsContact O-CB 3.29Å; V114-S118 WeakPolarHBondContact O-CB 3.3Å; V114-S118 PolarHBondContact O-N 3.07Å; L116-S118 VanDerWaalsContact C-N 3.31Å; L116-S118 PolarHBondContact O-N 3.48Å; S118-F122 WeakPolarHBondContact O-CB 3.44Å; S118-F122 WeakPolarHBondContact O-CD2 3.41Å; S118-F122 PolarHBondContact O-N 3.27Å
119	K	96.3	Very high	96	Very high	154 Å²	154	69.6 Å²	69.6	67%	0.67	37%	0.372	S	S	*	.	H	α-helix	trans	-66.9	-40.3	178.4	-177.1	-174.3	174	-171.6	0	111.7	K115 L116 W117	K115-K119 WeakPolarHBondContact O-CB 3.48Å; K115-K119 PolarHBondContact O-N 3.34Å; L116-K119 WeakPolarHBondContact O-CB 3.38Å; L116-K119 PolarHBondContact O-N 3.35Å; L116-K119 VanDerWaalsContact O-N 3.07Å; W117-K119 VanDerWaalsContact C-N 3.33Å; W117-K119 PolarHBondContact O-N 3.31Å
120	D	97	Very high	95.8	Very high	99 Å²	99	65.7 Å²	65.7	53%	0.529	35%	0.354	S	S	.	.	H	α-helix	trans	-79	-23.7	-178.5	-66.3	-12.4	0	0	0	112.7	L116 W117 H123	L116-D120 PolarHBondContact O-N 3.19Å; W117-D120 PolarHBondContact O-N 2.85Å; D120-H123 PolarHBondContact O-CE1 3.44Å
121	T	96.9	Very high	95.8	Very high	45 Å²	45	71 Å²	71	28%	0.276	38%	0.377	S	S	.	.	H	α-helix	trans	-91.1	-33.6	-179.9	-57.7	0	0	0	0	112.8	W117 E132	W117-T121 VanDerWaalsContact CE2-OG1 3.3Å; W117-T121 HydrophobicContact CH2-CG2 3.81Å; W117-T121 HydrophobicContact CZ2-CG2 3.95Å; W117-T121 HydrophobicContact CZ3-CG2 4.3Å; W117-T121 WeakPolarHBondContact O-CB 3.26Å; W117-T121 PolarHBondContact O-N 2.69Å; W117-T121 PolarHBondContact O-OG1 3.47Å; T121-E132 VanDerWaalsContact O-CD 3.32Å
122	F	96.4	Very high	95.7	Very high	20 Å²	20	71.6 Å²	71.6	9%	0.088	38%	0.38	C	S	.	.			trans	-123.8	103.3	-172.9	-55.7	-74.1	0	0	0	111.6	I33 V37 W117 S118 K124 V130 E132	I33-F122 HydrophobicContact CG2-CD1 4.48Å; I33-F122 HydrophobicContact CG2-CE1 4.17Å; V37-F122 HydrophobicContact CG2-CB 3.68Å; V37-F122 HydrophobicContact CG2-CD1 3.69Å; V37-F122 HydrophobicContact CG2-CD2 3.75Å; V37-F122 HydrophobicContact CG2-CE1 4.17Å; V37-F122 HydrophobicContact CG2-CE2 4.21Å; V37-F122 HydrophobicContact CG2-CG 3.46Å; V37-F122 VanDerWaalsContact CG2-CG 3.46Å; V37-F122 HydrophobicContact CG2-CZ 4.41Å; W117-F122 HydrophobicContact CH2-CE2 4.2Å; W117-F122 HydrophobicContact CH2-CZ 4.45Å; W117-F122 AromaticContact CZ3-CE2 3.72Å; W117-F122 HydrophobicContact CZ3-CE2 3.72Å; W117-F122 HydrophobicContact CZ3-CZ 4.37Å; S118-F122 WeakPolarHBondContact O-CB 3.44Å; S118-F122 WeakPolarHBondContact O-CD2 3.41Å; S118-F122 PolarHBondContact O-N 3.27Å; F122-K124 PolarHBondContact O-N 3Å; F122-V130 HydrophobicContact CB-CG1 4.11Å; F122-V130 HydrophobicContact CD1-CG1 4.06Å; F122-E132 WeakPolarHBondContact CA-OE2 3.22Å
123	H	97	Very high	95.6	Very high	91 Å²	91	69.2 Å²	69.2	42%	0.421	36%	0.363	S	S	.	.			trans	-90.4	105.9	-175	-59.6	82.4	0	0	0	110.1	D120 K131 E132	D120-H123 PolarHBondContact O-CE1 3.44Å; H123-K131 HydrophobicContact CB-CB 4.06Å; H123-K131 HydrophobicContact CB-CD 4.31Å; H123-K131 WeakPolarHBondContact O-CB 3.45Å; H123-K131 PolarHBondContact O-N 2.99Å; H123-E132 IonicContact CE1-OE1 2.85Å; H123-E132 IonicContact CG-OE1 3.89Å; H123-E132 PolarHBondContact N-OE2 3.11Å; H123-E132 IonicContact ND1-OE1 3.74Å; H123-E132 PolarHBondContact ND1-OE1 3.23Å
124	K	93.6	Very high	95.5	Very high	125 Å²	125	72 Å²	72	54%	0.543	37%	0.37	S	S	.	.	B	Isolated β-bridge	trans	-82.2	133.1	174.8	-65	-179.5	-177.5	178.3	0	110.5	F122 V129 V130	F122-K124 PolarHBondContact O-N 3Å; K124-V129 WeakPolarHBondContact CA-O 3.4Å; K124-V130 HydrophobicContact CG-CG2 4.37Å
125	N	91.1	Very high	95.4	Very high	70 Å²	70	76.5 Å²	76.5	37%	0.374	39%	0.392	S	S	.	.			trans	-79.1	-179.8	168.3	71.1	10.4	0	0	0	111.3	F127 G128 V129	N125-F127 PolarHBondContact O-N 3.48Å; N125-F127 WeakPolarHBondContact OD1-CA 3.37Å; N125-F127 PolarHBondContact OD1-N 3.19Å; N125-G128 PolarHBondContact O-N 3.42Å; N125-G128 PolarHBondContact OD1-N 2.94Å; N125-V129 PolarHBondContact N-O 3.06Å; N125-V129 PolarHBondContact OD1-N 3.14Å
126	A	91.9	Very high	95.4	Very high	102 Å²	102	72.7 Å²	72.7	84%	0.843	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-19.7	179.6	0	0	0	0	0	114.6
127	F	91.1	Very high	95.4	Very high	184 Å²	184	69.3 Å²	69.3	81%	0.807	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.9	8.7	178.5	-57.5	-75.7	0	0	0	112.9	N125 V129	N125-F127 PolarHBondContact O-N 3.48Å; N125-F127 WeakPolarHBondContact OD1-CA 3.37Å; N125-F127 PolarHBondContact OD1-N 3.19Å; F127-V129 HydrophobicContact CB-CG2 4.4Å; F127-V129 PolarHBondContact O-N 3.32Å
128	G	89.3	Confident	95.4	Very high	43 Å²	43	70.6 Å²	70.6	44%	0.443	37%	0.368	S	S	.	.	S	Bend	trans	76.7	2.6	-179	0	0	0	0	0	114.9	N125 V130	N125-G128 PolarHBondContact O-N 3.42Å; N125-G128 PolarHBondContact OD1-N 2.94Å; G128-V130 PolarHBondContact O-N 3Å
129	V	92	Very high	95.4	Very high	68 Å²	68	70.7 Å²	70.7	41%	0.412	37%	0.37	S	S	.	.			trans	-73.3	127.6	178.1	-178.8	0	0	0	0	109.3	K124 N125 F127 K131 K134	K124-V129 WeakPolarHBondContact CA-O 3.4Å; N125-V129 PolarHBondContact N-O 3.06Å; N125-V129 PolarHBondContact OD1-N 3.14Å; F127-V129 HydrophobicContact CB-CG2 4.4Å; F127-V129 PolarHBondContact O-N 3.32Å; V129-K131 PolarHBondContact O-N 3.27Å; V129-K134 HydrophobicContact CG1-CB 4.36Å
130	V	95.6	Very high	95.5	Very high	8 Å²	8	63.3 Å²	63.3	5%	0.048	34%	0.338	C	S	.	.	B	Isolated β-bridge	trans	-72.8	118.3	176.7	-177	0	0	0	0	109.1	V37 F122 K124 G128 E132 S133 K134	V37-V130 HydrophobicContact CG2-CG1 4.44Å; V37-V130 HydrophobicContact CG2-CG2 3.84Å; F122-V130 HydrophobicContact CB-CG1 4.11Å; F122-V130 HydrophobicContact CD1-CG1 4.06Å; K124-V130 HydrophobicContact CG-CG2 4.37Å; G128-V130 PolarHBondContact O-N 3Å; V130-E132 VanDerWaalsContact C-N 3.27Å; V130-E132 HydrophobicContact CG1-CB 4.25Å; V130-E132 WeakPolarHBondContact CG1-OE2 3.49Å; V130-E132 PolarHBondContact O-N 3.48Å; V130-S133 PolarHBondContact O-N 3.12Å; V130-K134 PolarHBondContact O-N 3.06Å; V130-K134 VanDerWaalsContact O-N 3.12Å
131	K	96.9	Very high	95.6	Very high	113 Å²	113	63.6 Å²	63.6	49%	0.491	33%	0.334	S	S	.	.	H	α-helix	trans	-56.2	-42.9	-178	-179.8	-179.4	169.1	-174.6	0	111.6	H123 V129 S133 K134 E135	H123-K131 HydrophobicContact CB-CB 4.06Å; H123-K131 HydrophobicContact CB-CD 4.31Å; H123-K131 WeakPolarHBondContact O-CB 3.45Å; H123-K131 PolarHBondContact O-N 2.99Å; V129-K131 PolarHBondContact O-N 3.27Å; K131-S133 VanDerWaalsContact C-N 3.34Å; K131-S133 PolarHBondContact O-N 3.26Å; K131-K134 PolarHBondContact O-N 3.12Å; K131-E135 WeakPolarHBondContact CE-OE1 3.49Å; K131-E135 HydrophobicContact CG-CG 4.39Å; K131-E135 IonicContact NZ-OE1 3.44Å; K131-E135 WeakPolarHBondContact O-CG 3.38Å; K131-E135 PolarHBondContact O-N 3.38Å
132	E	96.5	Very high	95.7	Very high	15 Å²	15	69.5 Å²	69.5	7%	0.07	36%	0.356	C	S	.	.	H	α-helix	trans	-64.6	-37.5	-178.9	-66	69.4	-154.1	0	0	112.3	I33 T121 F122 H123 V130 V136	I33-E132 HydrophobicContact CG2-CB 4.09Å; T121-E132 VanDerWaalsContact O-CD 3.32Å; F122-E132 WeakPolarHBondContact CA-OE2 3.22Å; H123-E132 IonicContact CE1-OE1 2.85Å; H123-E132 IonicContact CG-OE1 3.89Å; H123-E132 PolarHBondContact N-OE2 3.11Å; H123-E132 IonicContact ND1-OE1 3.74Å; H123-E132 PolarHBondContact ND1-OE1 3.23Å; V130-E132 VanDerWaalsContact C-N 3.27Å; V130-E132 HydrophobicContact CG1-CB 4.25Å; V130-E132 WeakPolarHBondContact CG1-OE2 3.49Å; V130-E132 PolarHBondContact O-N 3.48Å; E132-V136 WeakPolarHBondContact O-CG2 3.5Å; E132-V136 PolarHBondContact O-N 3.46Å
133	S	96.7	Very high	95.8	Very high	9 Å²	9	69.1 Å²	69.1	6%	0.063	36%	0.357	C	S	.	.	H	α-helix	trans	-65.7	-46.8	175.3	178.5	0	0	0	0	110.2	V30 D34 V130 K131 E135 V136 D137	V30-S133 WeakPolarHBondContact CG1-OG 3.43Å; D34-S133 VanDerWaalsContact CG-OG 3.26Å; D34-S133 WeakPolarHBondContact OD1-CB 3.25Å; D34-S133 PolarHBondContact OD1-OG 3.46Å; D34-S133 PolarHBondContact OD2-OG 3.08Å; V130-S133 PolarHBondContact O-N 3.12Å; K131-S133 VanDerWaalsContact C-N 3.34Å; K131-S133 PolarHBondContact O-N 3.26Å; S133-E135 PolarHBondContact O-N 3.42Å; S133-V136 PolarHBondContact O-N 3.15Å; S133-D137 PolarHBondContact O-N 2.86Å
134	K	96.5	Very high	95.8	Very high	112 Å²	112	65.1 Å²	65.1	49%	0.487	34%	0.338	S	S	.	.	H	α-helix	trans	-61	-45.5	176.8	-175.8	176.6	178.4	179.8	0	113	V129 V130 K131 V136 D137 D138	V129-K134 HydrophobicContact CG1-CB 4.36Å; V130-K134 PolarHBondContact O-N 3.06Å; V130-K134 VanDerWaalsContact O-N 3.12Å; K131-K134 PolarHBondContact O-N 3.12Å; K134-V136 VanDerWaalsContact C-N 3.27Å; K134-V136 PolarHBondContact O-N 3.23Å; K134-D137 PolarHBondContact O-N 3.35Å; K134-D138 WeakPolarHBondContact O-CB 3.21Å; K134-D138 PolarHBondContact O-N 2.87Å
135	E	96.9	Very high	96	Very high	97 Å²	97	65.3 Å²	65.3	45%	0.453	34%	0.339	S	S	.	.	H	α-helix	trans	-59.3	-39.2	178.5	-77.2	176.9	176.2	0	0	112.4	K131 S133 A139	K131-E135 WeakPolarHBondContact CE-OE1 3.49Å; K131-E135 HydrophobicContact CG-CG 4.39Å; K131-E135 IonicContact NZ-OE1 3.44Å; K131-E135 WeakPolarHBondContact O-CG 3.38Å; K131-E135 PolarHBondContact O-N 3.38Å; S133-E135 PolarHBondContact O-N 3.42Å; E135-A139 WeakPolarHBondContact O-CB 3.39Å; E135-A139 PolarHBondContact O-N 3.08Å; E135-A139 VanDerWaalsContact O-N 3.1Å
136	V	97.2	Very high	96.3	Very high	5 Å²	5	65.2 Å²	65.2	3%	0.03	34%	0.341	C	S	.	.	H	α-helix	trans	-73.3	-42.1	177.8	168	0	0	0	0	111.5	V30 I33 E132 S133 K134 A139 F140 V231 C235	V30-V136 HydrophobicContact CG2-CG1 4.19Å; I33-V136 HydrophobicContact CD1-CB 3.86Å; I33-V136 HydrophobicContact CD1-CG1 3.98Å; I33-V136 HydrophobicContact CD1-CG2 3.66Å; E132-V136 WeakPolarHBondContact O-CG2 3.5Å; E132-V136 PolarHBondContact O-N 3.46Å; S133-V136 PolarHBondContact O-N 3.15Å; K134-V136 VanDerWaalsContact C-N 3.27Å; K134-V136 PolarHBondContact O-N 3.23Å; V136-A139 PolarHBondContact O-N 3Å; V136-F140 HydrophobicContact CG1-CD2 3.71Å; V136-F140 HydrophobicContact CG1-CE2 3.51Å; V136-F140 VanDerWaalsContact O-CD2 3.32Å; V136-F140 WeakPolarHBondContact O-CD2 3.41Å; V136-F140 PolarHBondContact O-N 2.87Å; V136-V231 HydrophobicContact CG1-CG1 4.16Å; V136-C235 WeakPolarHBondContact CG1-SG 3.33Å
137	D	98.1	Very high	96.6	Very high	29 Å²	29	62 Å²	62	16%	0.155	31%	0.307	C	S	.	.	H	α-helix	trans	-60	-47	174.8	-179.5	47.3	0	0	0	111.6	Y26 V30 S133 K134 A139 F140 K141	Y26-D137 WeakPolarHBondContact CE2-OD1 3.4Å; Y26-D137 PolarHBondContact OH-OD1 2.99Å; V30-D137 HydrophobicContact CG1-CB 4.03Å; V30-D137 HydrophobicContact CG2-CB 4.02Å; S133-D137 PolarHBondContact O-N 2.86Å; K134-D137 PolarHBondContact O-N 3.35Å; D137-A139 VanDerWaalsContact C-N 3.27Å; D137-A139 PolarHBondContact O-N 3.46Å; D137-F140 PolarHBondContact O-N 2.96Å; D137-K141 WeakPolarHBondContact O-CG 3.38Å; D137-K141 PolarHBondContact O-N 3.35Å; D137-K141 IonicContact OD1-NZ 3.49Å; D137-K141 WeakPolarHBondContact OD2-CE 3.5Å; D137-K141 IonicContact OD2-NZ 2.82Å; D137-K141 PolarHBondContact OD2-NZ 3.34Å
138	D	98.3	Very high	97	Very high	76 Å²	76	55.5 Å²	55.5	41%	0.406	28%	0.282	S	S	.	.	H	α-helix	trans	-62	-36.2	176.5	-74.1	-22.7	0	0	0	111.6	K134 K142	K134-D138 WeakPolarHBondContact O-CB 3.21Å; K134-D138 PolarHBondContact O-N 2.87Å; D138-K142 WeakPolarHBondContact O-CB 3.45Å; D138-K142 PolarHBondContact O-N 2.99Å
139	A	98.5	Very high	97.4	Very high	19 Å²	19	60 Å²	60	16%	0.157	29%	0.29	C	S	.	.	H	α-helix	trans	-68.9	-41.2	175.2	0	0	0	0	0	113.1	E135 V136 D137 K142 A143 V231	E135-A139 WeakPolarHBondContact O-CB 3.39Å; E135-A139 PolarHBondContact O-N 3.08Å; E135-A139 VanDerWaalsContact O-N 3.1Å; V136-A139 PolarHBondContact O-N 3Å; D137-A139 VanDerWaalsContact C-N 3.27Å; D137-A139 PolarHBondContact O-N 3.46Å; A139-K142 WeakPolarHBondContact O-CB 3.33Å; A139-K142 PolarHBondContact O-N 3.32Å; A139-A143 WeakPolarHBondContact O-CB 3.16Å; A139-A143 PolarHBondContact O-N 3.44Å; A139-V231 HydrophobicContact CB-CG1 3.9Å; A139-V231 HydrophobicContact CB-CG2 3.94Å
140	F	98.7	Very high	97.7	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-64.5	-43.8	173.8	-82.3	-59.7	0	0	0	111.7	F20 Y26 A29 V30 V136 D137 K142 A143 Q144 M228 V231 F232	F20-F140 HydrophobicContact CE2-CE1 4.18Å; F20-F140 HydrophobicContact CE2-CZ 4.38Å; F20-F140 AromaticContact CZ-CE1 3.94Å; F20-F140 HydrophobicContact CZ-CE1 3.94Å; F20-F140 HydrophobicContact CZ-CZ 4.49Å; Y26-F140 HydrophobicContact CD1-CB 3.95Å; Y26-F140 HydrophobicContact CD1-CG 4.34Å; Y26-F140 HydrophobicContact CD2-CB 3.31Å; Y26-F140 HydrophobicContact CD2-CD1 4.21Å; Y26-F140 AromaticContact CD2-CD2 3.44Å; Y26-F140 HydrophobicContact CD2-CD2 3.44Å; Y26-F140 VanDerWaalsContact CD2-CD2 3.44Å; Y26-F140 HydrophobicContact CD2-CE2 4.24Å; Y26-F140 AromaticContact CD2-CG 3.41Å; Y26-F140 HydrophobicContact CD2-CG 3.41Å; Y26-F140 VanDerWaalsContact CD2-CG 3.41Å; Y26-F140 HydrophobicContact CE1-CB 3.97Å; Y26-F140 HydrophobicContact CE2-CB 3.38Å; Y26-F140 HydrophobicContact CE2-CD2 4.12Å; Y26-F140 HydrophobicContact CE2-CG 4Å; Y26-F140 HydrophobicContact CG-CB 3.64Å; Y26-F140 AromaticContact CG-CD1 3.96Å; Y26-F140 HydrophobicContact CG-CD1 3.96Å; Y26-F140 HydrophobicContact CG-CD2 4.01Å; Y26-F140 AromaticContact CG-CG 3.63Å; Y26-F140 HydrophobicContact CG-CG 3.63Å; A29-F140 HydrophobicContact CB-CE2 4.22Å; A29-F140 HydrophobicContact CB-CZ 4.3Å; V30-F140 HydrophobicContact CG2-CD2 3.92Å; V30-F140 HydrophobicContact CG2-CE2 4.25Å; V136-F140 HydrophobicContact CG1-CD2 3.71Å; V136-F140 HydrophobicContact CG1-CE2 3.51Å; V136-F140 VanDerWaalsContact O-CD2 3.32Å; V136-F140 WeakPolarHBondContact O-CD2 3.41Å; V136-F140 PolarHBondContact O-N 2.87Å; D137-F140 PolarHBondContact O-N 2.96Å; F140-K142 PolarHBondContact O-N 3.29Å; F140-A143 PolarHBondContact O-N 3.44Å; F140-Q144 WeakPolarHBondContact O-CB 3.41Å; F140-Q144 PolarHBondContact O-N 3.23Å; F140-M228 HydrophobicContact CD1-CE 3.68Å; F140-M228 HydrophobicContact CD1-SD 3.86Å; F140-M228 HydrophobicContact CE1-CE 4.09Å; F140-V231 HydrophobicContact CD1-CB 3.76Å; F140-V231 HydrophobicContact CD1-CG1 3.67Å; F140-V231 HydrophobicContact CD1-CG2 4.41Å; F140-V231 HydrophobicContact CD2-CG1 3.64Å; F140-V231 HydrophobicContact CE1-CB 3.6Å; F140-V231 HydrophobicContact CE1-CG1 3.64Å; F140-V231 HydrophobicContact CE2-CB 4.48Å; F140-V231 HydrophobicContact CE2-CG1 3.63Å; F140-V231 HydrophobicContact CG-CB 4.26Å; F140-V231 HydrophobicContact CG-CG1 3.67Å; F140-V231 HydrophobicContact CZ-CB 4Å; F140-V231 HydrophobicContact CZ-CG1 3.62Å; F140-F232 HydrophobicContact CE1-CB 4.38Å; F140-F232 HydrophobicContact CZ-CB 4.21Å; F140-F232 HydrophobicContact CZ-CD2 4.46Å
141	K	98.4	Very high	97.8	Very high	104 Å²	104	61.8 Å²	61.8	45%	0.452	29%	0.291	S	S	.	.	H	α-helix	trans	-55.6	-42.5	173.3	-73.7	171	175.9	159.3	0	111.3	Y26 D137 K145	Y26-K141 WeakPolarHBondContact OH-CG 3.31Å; D137-K141 WeakPolarHBondContact O-CG 3.38Å; D137-K141 PolarHBondContact O-N 3.35Å; D137-K141 IonicContact OD1-NZ 3.49Å; D137-K141 WeakPolarHBondContact OD2-CE 3.5Å; D137-K141 IonicContact OD2-NZ 2.82Å; D137-K141 PolarHBondContact OD2-NZ 3.34Å; K141-K145 WeakPolarHBondContact O-CB 3.47Å; K141-K145 PolarHBondContact O-N 3.08Å
142	K	98.5	Very high	97.8	Very high	170 Å²	170	59.5 Å²	59.5	74%	0.739	29%	0.287	S	S	*	.	H	α-helix	trans	-64.5	-46.9	176.7	-174	179.7	178	-177.5	0	111.8	D138 A139 F140 Q144 K145	D138-K142 WeakPolarHBondContact O-CB 3.45Å; D138-K142 PolarHBondContact O-N 2.99Å; A139-K142 WeakPolarHBondContact O-CB 3.33Å; A139-K142 PolarHBondContact O-N 3.32Å; F140-K142 PolarHBondContact O-N 3.29Å; K142-Q144 VanDerWaalsContact C-N 3.33Å; K142-Q144 PolarHBondContact O-N 3.34Å; K142-K145 WeakPolarHBondContact O-CB 3.37Å; K142-K145 PolarHBondContact O-N 2.87Å
143	A	98.3	Very high	97.9	Very high	11 Å²	11	62.8 Å²	62.8	9%	0.091	30%	0.301	C	S	.	.	H	α-helix	trans	-62.2	-37.6	178	0	0	0	0	0	112.5	A139 F140 D227 M228 V231	A139-A143 WeakPolarHBondContact O-CB 3.16Å; A139-A143 PolarHBondContact O-N 3.44Å; F140-A143 PolarHBondContact O-N 3.44Å; A143-D227 HydrophobicContact CB-CB 3.76Å; A143-M228 HydrophobicContact CB-CG 4.37Å; A143-M228 HydrophobicContact CB-SD 3.83Å; A143-V231 HydrophobicContact CB-CG2 4.32Å
144	Q	97.9	Very high	98	Very high	7 Å²	7	62.8 Å²	62.8	3%	0.033	30%	0.3	C	S	.	.	H	α-helix	trans	-85.8	-13.7	-179.3	-157.2	168.3	55.7	0	0	113.4	F140 K142 T146 W147 V148 Y224 M228	F140-Q144 WeakPolarHBondContact O-CB 3.41Å; F140-Q144 PolarHBondContact O-N 3.23Å; K142-Q144 VanDerWaalsContact C-N 3.33Å; K142-Q144 PolarHBondContact O-N 3.34Å; Q144-T146 PolarHBondContact O-N 3.09Å; Q144-W147 HydrophobicContact CG-CB 4.45Å; Q144-W147 WeakPolarHBondContact O-CB 3.44Å; Q144-W147 PolarHBondContact O-N 3.18Å; Q144-W147 VanDerWaalsContact O-N 3.12Å; Q144-V148 HydrophobicContact CB-CG2 4.44Å; Q144-V148 HydrophobicContact CG-CG2 3.79Å; Q144-V148 WeakPolarHBondContact O-CG2 3.45Å; Q144-V148 PolarHBondContact O-N 2.92Å; Q144-Y224 HydrophobicContact CB-CE2 4.16Å; Q144-Y224 HydrophobicContact CG-CE2 3.75Å; Q144-Y224 PolarHBondContact NE2-OH 3.27Å; Q144-Y224 VanDerWaalsContact NE2-OH 3.15Å; Q144-M228 HydrophobicContact CB-SD 4.17Å
145	K	98.1	Very high	98	Very high	130 Å²	130	60.8 Å²	60.8	57%	0.565	29%	0.293	S	S	*	.	H	α-helix	trans	-52.4	-48.3	-170.2	-174.4	176	-177.3	175.9	0	114.1	K141 K142 K149	K141-K145 WeakPolarHBondContact O-CB 3.47Å; K141-K145 PolarHBondContact O-N 3.08Å; K142-K145 WeakPolarHBondContact O-CB 3.37Å; K142-K145 PolarHBondContact O-N 2.87Å; K145-K149 WeakPolarHBondContact O-CG 3.22Å; K145-K149 PolarHBondContact O-N 3.3Å
146	T	97.9	Very high	98.1	Very high	67 Å²	67	63.2 Å²	63.2	41%	0.411	30%	0.299	S	S	.	.	H	α-helix	trans	-72.9	-40.6	-178.8	-58.5	0	0	0	0	111	Q144 V148 K149 L150 H220	Q144-T146 PolarHBondContact O-N 3.09Å; T146-V148 PolarHBondContact O-N 2.92Å; T146-K149 WeakPolarHBondContact O-CB 3.36Å; T146-K149 PolarHBondContact O-N 2.98Å; T146-L150 HydrophobicContact CG2-CD1 4.06Å; T146-L150 HydrophobicContact CG2-CG 4.45Å; T146-L150 WeakPolarHBondContact O-CG 3.37Å; T146-L150 PolarHBondContact O-N 3.29Å; T146-H220 WeakPolarHBondContact CB-NE2 3.45Å; T146-H220 WeakPolarHBondContact CG2-NE2 3.45Å
147	W	98.3	Very high	98.1	Very high	34 Å²	34	63.4 Å²	63.4	13%	0.129	30%	0.3	C	S	.	.	H	α-helix	trans	-56.7	-47.3	173.3	-175.2	-97	0	0	0	112.3	Q144 K149 L150 Y151 L217 K221 Y224	Q144-W147 HydrophobicContact CG-CB 4.45Å; Q144-W147 WeakPolarHBondContact O-CB 3.44Å; Q144-W147 PolarHBondContact O-N 3.18Å; Q144-W147 VanDerWaalsContact O-N 3.12Å; W147-K149 VanDerWaalsContact C-N 3.32Å; W147-K149 PolarHBondContact O-N 2.93Å; W147-L150 PolarHBondContact O-N 3.31Å; W147-Y151 VanDerWaalsContact O-CB 3.25Å; W147-Y151 WeakPolarHBondContact O-CB 3.49Å; W147-Y151 PolarHBondContact O-N 3.3Å; W147-L217 HydrophobicContact CD2-CD1 3.88Å; W147-L217 HydrophobicContact CE3-CD1 3.62Å; W147-L217 HydrophobicContact CE3-CG 4.4Å; W147-L217 HydrophobicContact CH2-CD1 3.87Å; W147-L217 HydrophobicContact CH2-CD2 4.28Å; W147-L217 HydrophobicContact CH2-CG 3.87Å; W147-L217 HydrophobicContact CZ2-CD1 4.13Å; W147-L217 HydrophobicContact CZ2-CD2 4.46Å; W147-L217 HydrophobicContact CZ2-CG 4.39Å; W147-L217 HydrophobicContact CZ3-CD1 3.59Å; W147-L217 HydrophobicContact CZ3-CG 3.86Å; W147-L217 WeakPolarHBondContact CZ3-O 3.41Å; W147-K221 HydrophobicContact CH2-CB 4.2Å; W147-K221 HydrophobicContact CH2-CG 4.07Å; W147-K221 HydrophobicContact CZ3-CB 3.78Å; W147-K221 HydrophobicContact CZ3-CG 4.07Å; W147-Y224 HydrophobicContact CB-CD1 4.44Å; W147-Y224 HydrophobicContact CB-CD2 3.58Å; W147-Y224 HydrophobicContact CB-CE2 4.01Å; W147-Y224 HydrophobicContact CB-CG 3.83Å; W147-Y224 AromaticContact CD2-CD1 3.49Å; W147-Y224 HydrophobicContact CD2-CD1 3.49Å; W147-Y224 VanDerWaalsContact CD2-CD1 3.49Å; W147-Y224 HydrophobicContact CD2-CD2 4.26Å; W147-Y224 AromaticContact CD2-CE1 3.87Å; W147-Y224 HydrophobicContact CD2-CE1 3.87Å; W147-Y224 AromaticContact CD2-CG 3.71Å; W147-Y224 HydrophobicContact CD2-CG 3.71Å; W147-Y224 AromaticContact CE2-CD1 3.88Å; W147-Y224 AromaticContact CE2-CE1 3.86Å; W147-Y224 AromaticContact CE3-CD1 3.6Å; W147-Y224 HydrophobicContact CE3-CD1 3.6Å; W147-Y224 HydrophobicContact CE3-CE1 4.4Å; W147-Y224 AromaticContact CE3-CG 3.73Å; W147-Y224 HydrophobicContact CE3-CG 3.73Å; W147-Y224 AromaticContact CG-CD1 3.89Å; W147-Y224 HydrophobicContact CG-CD1 3.89Å; W147-Y224 AromaticContact CG-CD2 3.83Å; W147-Y224 HydrophobicContact CG-CD2 3.83Å; W147-Y224 HydrophobicContact CG-CE1 4.05Å; W147-Y224 AromaticContact CG-CE2 3.99Å; W147-Y224 HydrophobicContact CG-CE2 3.99Å; W147-Y224 AromaticContact CG-CG 3.78Å; W147-Y224 HydrophobicContact CG-CG 3.78Å; W147-Y224 HydrophobicContact CH2-CD1 4.42Å; W147-Y224 HydrophobicContact CZ2-CD1 4.32Å; W147-Y224 HydrophobicContact CZ2-CE1 4.38Å; W147-Y224 HydrophobicContact CZ3-CD1 4.09Å; W147-Y224 AromaticContact NE1-CE1 3.99Å
148	V	97.9	Very high	98.1	Very high	48 Å²	48	67 Å²	67	29%	0.291	31%	0.311	S	S	.	.	H	α-helix	trans	-57.2	-44.6	175.9	177	0	0	0	0	111.4	I23 Q144 T146 T152	I23-V148 HydrophobicContact CD1-CG2 4.16Å; I23-V148 HydrophobicContact CG1-CG2 4.28Å; I23-V148 HydrophobicContact CG2-CG2 3.78Å; Q144-V148 HydrophobicContact CB-CG2 4.44Å; Q144-V148 HydrophobicContact CG-CG2 3.79Å; Q144-V148 WeakPolarHBondContact O-CG2 3.45Å; Q144-V148 PolarHBondContact O-N 2.92Å; T146-V148 PolarHBondContact O-N 2.92Å; V148-T152 WeakPolarHBondContact O-CB 3.4Å; V148-T152 PolarHBondContact O-N 3.48Å; V148-T152 PolarHBondContact O-OG1 3.44Å
149	K	98.3	Very high	98	Very high	138 Å²	138	72.1 Å²	72.1	60%	0.6	33%	0.325	S	S	*	.	H	α-helix	trans	-62.5	-46.7	179.3	-72.8	179.1	177.6	-171.5	0	112	K145 T146 W147 T152 K153	K145-K149 WeakPolarHBondContact O-CG 3.22Å; K145-K149 PolarHBondContact O-N 3.3Å; T146-K149 WeakPolarHBondContact O-CB 3.36Å; T146-K149 PolarHBondContact O-N 2.98Å; W147-K149 VanDerWaalsContact C-N 3.32Å; W147-K149 PolarHBondContact O-N 2.93Å; K149-T152 PolarHBondContact O-N 3.35Å; K149-K153 PolarHBondContact O-N 3.33Å; K149-K153 VanDerWaalsContact O-N 3.12Å
150	L	98.3	Very high	98	Very high	34 Å²	34	75.2 Å²	75.2	18%	0.178	34%	0.339	C	S	.	.	H	α-helix	trans	-66.9	-44.2	179.2	-68.6	172.9	0	0	0	111.4	T146 W147 T152 K153 V154 D216 L217 H220	T146-L150 HydrophobicContact CG2-CD1 4.06Å; T146-L150 HydrophobicContact CG2-CG 4.45Å; T146-L150 WeakPolarHBondContact O-CG 3.37Å; T146-L150 PolarHBondContact O-N 3.29Å; W147-L150 PolarHBondContact O-N 3.31Å; L150-T152 VanDerWaalsContact C-N 3.34Å; L150-T152 PolarHBondContact O-N 2.91Å; L150-K153 WeakPolarHBondContact O-CA 3.23Å; L150-K153 WeakPolarHBondContact O-CB 3.45Å; L150-K153 PolarHBondContact O-N 3.46Å; L150-K153 VanDerWaalsContact O-N 3.1Å; L150-V154 WeakPolarHBondContact O-CG2 3.48Å; L150-V154 PolarHBondContact O-N 2.74Å; L150-D216 HydrophobicContact CD2-CB 4.05Å; L150-L217 HydrophobicContact CB-CB 4.36Å; L150-L217 HydrophobicContact CB-CD1 3.53Å; L150-H220 HydrophobicContact CD1-CB 3.51Å
151	Y	97.6	Very high	98	Very high	80 Å²	80	77.9 Å²	77.9	31%	0.314	35%	0.349	S	S	.	.	H	α-helix	trans	-61	-42.4	176.4	-175.5	-92.8	0	0	0	111.7	I23 W147 K153 V154 M155 L217	I23-Y151 HydrophobicContact CD1-CD1 3.53Å; I23-Y151 HydrophobicContact CD1-CE1 4.13Å; I23-Y151 HydrophobicContact CD1-CG 3.92Å; W147-Y151 VanDerWaalsContact O-CB 3.25Å; W147-Y151 WeakPolarHBondContact O-CB 3.49Å; W147-Y151 PolarHBondContact O-N 3.3Å; Y151-K153 VanDerWaalsContact C-N 3.28Å; Y151-K153 PolarHBondContact O-N 3.16Å; Y151-V154 WeakPolarHBondContact O-CB 3.31Å; Y151-V154 PolarHBondContact O-N 3.13Å; Y151-V154 VanDerWaalsContact O-N 3.17Å; Y151-M155 HydrophobicContact CD1-CG 3.92Å; Y151-M155 HydrophobicContact CE1-CG 3.52Å; Y151-M155 HydrophobicContact CE1-SD 4.2Å; Y151-M155 WeakPolarHBondContact O-CG 3.34Å; Y151-M155 PolarHBondContact O-N 2.94Å; Y151-L217 HydrophobicContact CD2-CD2 4.33Å
152	T	97.8	Very high	97.8	Very high	64 Å²	64	77.8 Å²	77.8	39%	0.393	35%	0.349	S	S	.	.	H	α-helix	trans	-60.6	-38.2	174.8	-56.9	0	0	0	0	111.7	V148 K149 L150 M155 R156	V148-T152 WeakPolarHBondContact O-CB 3.4Å; V148-T152 PolarHBondContact O-N 3.48Å; V148-T152 PolarHBondContact O-OG1 3.44Å; K149-T152 PolarHBondContact O-N 3.35Å; L150-T152 VanDerWaalsContact C-N 3.34Å; L150-T152 PolarHBondContact O-N 2.91Å; T152-M155 PolarHBondContact O-N 3.48Å; T152-R156 WeakPolarHBondContact O-CB 3.16Å; T152-R156 PolarHBondContact O-N 3.41Å
153	K	98.1	Very high	97.7	Very high	84 Å²	84	72.3 Å²	72.3	37%	0.365	33%	0.328	S	S	.	.	H	α-helix	trans	-64.9	-43.9	174.9	-175	-174.3	175.6	-169.7	0	111.3	K149 L150 Y151 R156 S157 A213 D216	K149-K153 PolarHBondContact O-N 3.33Å; K149-K153 VanDerWaalsContact O-N 3.12Å; L150-K153 WeakPolarHBondContact O-CA 3.23Å; L150-K153 WeakPolarHBondContact O-CB 3.45Å; L150-K153 PolarHBondContact O-N 3.46Å; L150-K153 VanDerWaalsContact O-N 3.1Å; Y151-K153 VanDerWaalsContact C-N 3.28Å; Y151-K153 PolarHBondContact O-N 3.16Å; K153-R156 PolarHBondContact O-N 2.64Å; K153-S157 PolarHBondContact O-N 3.02Å; K153-S157 PolarHBondContact O-OG 2.74Å; K153-A213 HydrophobicContact CD-CB 4.36Å; K153-A213 HydrophobicContact CG-CB 4.13Å; K153-D216 IonicContact NZ-OD2 3.51Å; K153-D216 PolarHBondContact NZ-OD2 2.95Å
154	V	98.1	Very high	97.6	Very high	9 Å²	9	72.4 Å²	72.4	6%	0.055	33%	0.329	C	S	.	.	H	α-helix	trans	-59.1	-47.4	174.6	170.5	0	0	0	0	111.4	L150 Y151 R156 S157 R158 Y210 A213 L214 L217	L150-V154 WeakPolarHBondContact O-CG2 3.48Å; L150-V154 PolarHBondContact O-N 2.74Å; Y151-V154 WeakPolarHBondContact O-CB 3.31Å; Y151-V154 PolarHBondContact O-N 3.13Å; Y151-V154 VanDerWaalsContact O-N 3.17Å; V154-R156 VanDerWaalsContact C-N 3.3Å; V154-R156 PolarHBondContact O-N 2.85Å; V154-S157 PolarHBondContact O-N 3.16Å; V154-S157 PolarHBondContact O-OG 2.84Å; V154-R158 VanDerWaalsContact O-CB 3.26Å; V154-R158 WeakPolarHBondContact O-CB 3.2Å; V154-R158 PolarHBondContact O-N 3.49Å; V154-Y210 HydrophobicContact CG1-CE2 3.88Å; V154-A213 HydrophobicContact CB-CB 4.48Å; V154-A213 VanDerWaalsContact CG2-C 3.45Å; V154-A213 HydrophobicContact CG2-CB 3.75Å; V154-A213 VanDerWaalsContact CG2-O 3.22Å; V154-A213 WeakPolarHBondContact CG2-O 3.38Å; V154-L214 HydrophobicContact CG1-CD2 3.63Å; V154-L214 HydrophobicContact CG1-CG 4.29Å; V154-L214 HydrophobicContact CG2-CD2 4.28Å; V154-L217 HydrophobicContact CG2-CB 4.01Å; V154-L217 HydrophobicContact CG2-CD2 3.93Å
155	M	97.2	Very high	97.5	Very high	70 Å²	70	72.8 Å²	72.8	35%	0.345	33%	0.332	S	S	.	.	H	α-helix	trans	-65.9	-34.1	-179.6	-66.6	-58.1	-77.8	0	0	112.4	Y151 T152 R159	Y151-M155 HydrophobicContact CD1-CG 3.92Å; Y151-M155 HydrophobicContact CE1-CG 3.52Å; Y151-M155 HydrophobicContact CE1-SD 4.2Å; Y151-M155 WeakPolarHBondContact O-CG 3.34Å; Y151-M155 PolarHBondContact O-N 2.94Å; T152-M155 PolarHBondContact O-N 3.48Å; M155-R159 PolarHBondContact O-N 2.9Å
156	R	98	Very high	97.4	Very high	149 Å²	149	68 Å²	68	56%	0.562	31%	0.311	S	S	*	.	H	α-helix	trans	-67.4	-53	173.1	-174.3	-177	-61.7	145.3	1.7	111.6	T152 K153 V154 R158 R159 D160	T152-R156 WeakPolarHBondContact O-CB 3.16Å; T152-R156 PolarHBondContact O-N 3.41Å; K153-R156 PolarHBondContact O-N 2.64Å; V154-R156 VanDerWaalsContact C-N 3.3Å; V154-R156 PolarHBondContact O-N 2.85Å; R156-R158 VanDerWaalsContact C-N 3.28Å; R156-R158 PolarHBondContact O-N 3.3Å; R156-R159 WeakPolarHBondContact O-CB 3.18Å; R156-R159 PolarHBondContact O-N 3.35Å; R156-D160 VanDerWaalsContact O-CG 3.3Å; R156-D160 PolarHBondContact O-N 3.23Å
157	S	97.9	Very high	97.2	Very high	9 Å²	9	68.3 Å²	68.3	6%	0.063	31%	0.309	C	S	.	.	H	α-helix	trans	-65.7	-30.7	-178.8	54.6	0	0	0	0	112.9	K153 V154 D160 Y161 Y210 A213	K153-S157 PolarHBondContact O-N 3.02Å; K153-S157 PolarHBondContact O-OG 2.74Å; V154-S157 PolarHBondContact O-N 3.16Å; V154-S157 PolarHBondContact O-OG 2.84Å; S157-D160 PolarHBondContact O-N 2.95Å; S157-Y161 VanDerWaalsContact O-CB 3.32Å; S157-Y161 WeakPolarHBondContact O-CB 3.35Å; S157-Y161 PolarHBondContact O-N 3.11Å; S157-Y210 WeakPolarHBondContact OG-CA 3.46Å; S157-A213 WeakPolarHBondContact OG-CB 3.29Å
158	R	98	Very high	97	Very high	103 Å²	103	67.4 Å²	67.4	39%	0.389	31%	0.306	S	S	.	.	H	α-helix	trans	-58.4	-49.2	168.8	-179	-177	166.7	-165.5	-2.2	111.4	V154 R156 D160 Y161 F162 Y210	V154-R158 VanDerWaalsContact O-CB 3.26Å; V154-R158 WeakPolarHBondContact O-CB 3.2Å; V154-R158 PolarHBondContact O-N 3.49Å; R156-R158 VanDerWaalsContact C-N 3.28Å; R156-R158 PolarHBondContact O-N 3.3Å; R158-D160 VanDerWaalsContact C-N 3.35Å; R158-Y161 PolarHBondContact O-N 2.93Å; R158-F162 HydrophobicContact CG-CD1 4.4Å; R158-F162 HydrophobicContact CG-CE1 4.08Å; R158-F162 HydrophobicContact CG-CE2 4.23Å; R158-F162 HydrophobicContact CG-CZ 4Å; R158-F162 WeakPolarHBondContact O-CD1 3.42Å; R158-F162 WeakPolarHBondContact O-CG 3.41Å; R158-F162 PolarHBondContact O-N 3.19Å; R158-Y210 HydrophobicContact CB-CD2 3.97Å; R158-Y210 HydrophobicContact CB-CE2 3.6Å; R158-Y210 HydrophobicContact CG-CE2 4.2Å
159	R	97.5	Very high	96.9	Very high	185 Å²	185	67.8 Å²	67.8	70%	0.698	30%	0.303	S	S	*	.	H	α-helix	trans	-60.6	-45.8	178.5	-173.9	-169.7	-60.1	168.7	-1.2	111	M155 R156 F162 N163	M155-R159 PolarHBondContact O-N 2.9Å; R156-R159 WeakPolarHBondContact O-CB 3.18Å; R156-R159 PolarHBondContact O-N 3.35Å; R159-F162 PolarHBondContact O-N 2.89Å; R159-N163 WeakPolarHBondContact O-CB 3.33Å; R159-N163 PolarHBondContact O-N 3.23Å
160	D	97.3	Very high	96.6	Very high	83 Å²	83	62.5 Å²	62.5	44%	0.444	28%	0.282	S	S	.	.	H	α-helix	trans	-62.8	-43.9	180	-60.9	-21.7	0	0	0	111.2	R156 S157 R158 N163 A164	R156-D160 VanDerWaalsContact O-CG 3.3Å; R156-D160 PolarHBondContact O-N 3.23Å; S157-D160 PolarHBondContact O-N 2.95Å; R158-D160 VanDerWaalsContact C-N 3.35Å; D160-N163 PolarHBondContact O-N 3.1Å; D160-A164 WeakPolarHBondContact O-CB 3.49Å; D160-A164 PolarHBondContact O-N 3.05Å
161	Y	98	Very high	96.4	Very high	57 Å²	57	61 Å²	61	22%	0.224	27%	0.274	C	S	.	.	H	α-helix	trans	-61.7	-45	175.6	169	-116.6	0	0	0	112.3	S157 R158 A164 S165 R203 E207 Y210	S157-Y161 VanDerWaalsContact O-CB 3.32Å; S157-Y161 WeakPolarHBondContact O-CB 3.35Å; S157-Y161 PolarHBondContact O-N 3.11Å; R158-Y161 PolarHBondContact O-N 2.93Å; Y161-A164 PolarHBondContact O-N 3.18Å; Y161-S165 WeakPolarHBondContact CE2-OG 3.48Å; Y161-S165 WeakPolarHBondContact O-CB 3.32Å; Y161-S165 PolarHBondContact O-N 3.27Å; Y161-S165 PolarHBondContact O-OG 3.49Å; Y161-R203 HydrophobicContact CD2-CG 4.27Å; Y161-R203 HydrophobicContact CE2-CG 3.98Å; Y161-E207 HydrophobicContact CD2-CB 3.63Å; Y161-E207 HydrophobicContact CD2-CG 4.08Å; Y161-E207 HydrophobicContact CE2-CB 3.63Å; Y161-E207 HydrophobicContact CE2-CG 3.73Å; Y161-Y210 AromaticContact CD1-CD1 3.95Å; Y161-Y210 HydrophobicContact CD1-CD1 3.95Å; Y161-Y210 HydrophobicContact CD1-CE1 4.44Å; Y161-Y210 HydrophobicContact CG-CD1 4.43Å
162	F	95.8	Very high	96.2	Very high	101 Å²	101	60 Å²	60	44%	0.443	27%	0.274	S	S	.	.	H	α-helix	trans	-65.7	-41.1	179.3	-75	13	0	0	0	111.1	R158 R159 S165 R166	R158-F162 HydrophobicContact CG-CD1 4.4Å; R158-F162 HydrophobicContact CG-CE1 4.08Å; R158-F162 HydrophobicContact CG-CE2 4.23Å; R158-F162 HydrophobicContact CG-CZ 4Å; R158-F162 WeakPolarHBondContact O-CD1 3.42Å; R158-F162 WeakPolarHBondContact O-CG 3.41Å; R158-F162 PolarHBondContact O-N 3.19Å; R159-F162 PolarHBondContact O-N 2.89Å; F162-S165 PolarHBondContact O-N 3.49Å; F162-R166 PolarHBondContact O-N 3.06Å
163	N	95.6	Very high	95.8	Very high	56 Å²	56	58.4 Å²	58.4	30%	0.299	26%	0.263	S	S	.	.	H	α-helix	trans	-64.7	-45.8	175.8	-172.5	35.9	0	0	0	112	R159 D160 S165 R166 L167 Q430	R159-N163 WeakPolarHBondContact O-CB 3.33Å; R159-N163 PolarHBondContact O-N 3.23Å; D160-N163 PolarHBondContact O-N 3.1Å; N163-S165 VanDerWaalsContact C-N 3.31Å; N163-S165 PolarHBondContact O-N 2.73Å; N163-R166 PolarHBondContact O-N 3.18Å; N163-R166 PolarHBondContact OD1-NH2 2.99Å; N163-L167 WeakPolarHBondContact O-CG 3.5Å; N163-L167 PolarHBondContact O-N 3.22Å; N163-Q430 PolarHBondContact OD1-OE1 3.27Å
164	A	96.8	Very high	95.5	Very high	12 Å²	12	56.5 Å²	56.5	10%	0.099	26%	0.255	C	S	.	.	H	α-helix	trans	-62.2	-39.2	177.1	0	0	0	0	0	112	D160 Y161 R166 L167 E168 R203 A206	D160-A164 WeakPolarHBondContact O-CB 3.49Å; D160-A164 PolarHBondContact O-N 3.05Å; Y161-A164 PolarHBondContact O-N 3.18Å; A164-R166 PolarHBondContact O-N 2.96Å; A164-L167 PolarHBondContact O-N 3.21Å; A164-E168 PolarHBondContact O-N 3.38Å; A164-R203 HydrophobicContact CB-CB 4.21Å; A164-A206 HydrophobicContact CB-CB 4.1Å
165	S	96	Very high	95.1	Very high	16 Å²	16	57.5 Å²	57.5	11%	0.112	26%	0.259	C	S	.	.	H	α-helix	trans	-62.4	-42.4	174.8	-57.8	0	0	0	0	111.7	Y161 F162 N163 E168 R169	Y161-S165 WeakPolarHBondContact CE2-OG 3.48Å; Y161-S165 WeakPolarHBondContact O-CB 3.32Å; Y161-S165 PolarHBondContact O-N 3.27Å; Y161-S165 PolarHBondContact O-OG 3.49Å; F162-S165 PolarHBondContact O-N 3.49Å; N163-S165 VanDerWaalsContact C-N 3.31Å; N163-S165 PolarHBondContact O-N 2.73Å; S165-E168 PolarHBondContact O-N 3.2Å; S165-R169 WeakPolarHBondContact O-CG 3.44Å; S165-R169 PolarHBondContact O-N 3.43Å; S165-R169 VanDerWaalsContact O-N 3.08Å
166	R	94.6	Very high	94.8	Very high	30 Å²	30	60.3 Å²	60.3	11%	0.113	27%	0.269	C	S	.	.	H	α-helix	trans	-65.2	-42	174.9	-170.4	-178.6	55.6	138.1	8.3	112.1	F162 N163 A164 R169 T170 W432	F162-R166 PolarHBondContact O-N 3.06Å; N163-R166 PolarHBondContact O-N 3.18Å; N163-R166 PolarHBondContact OD1-NH2 2.99Å; A164-R166 PolarHBondContact O-N 2.96Å; R166-R169 PolarHBondContact O-N 3.34Å; R166-T170 PolarHBondContact O-N 2.84Å; R166-T170 PolarHBondContact O-OG1 3.46Å; R166-W432 HydrophobicContact CG-CZ2 3.63Å; R166-W432 VanDerWaalsContact NH1-NE1 3.17Å
167	L	94.5	Very high	94.4	Very high	73 Å²	73	55 Å²	55	38%	0.382	25%	0.253	S	S	.	.	H	α-helix	trans	-64.1	-39.4	176.6	-71.8	172.9	0	0	0	112.7	N163 A164 T170 A171	N163-L167 WeakPolarHBondContact O-CG 3.5Å; N163-L167 PolarHBondContact O-N 3.22Å; A164-L167 PolarHBondContact O-N 3.21Å; L167-T170 PolarHBondContact O-N 3.1Å; L167-A171 WeakPolarHBondContact O-CB 3.43Å; L167-A171 PolarHBondContact O-N 3.08Å
168	E	95	Very high	93.9	Very high	14 Å²	14	55 Å²	55	7%	0.065	25%	0.253	C	S	.	.	H	α-helix	trans	-60	-48.3	172.7	-170.4	-161.2	-165	0	0	110.8	A164 S165 T170 A171 I172 C199 R200 R203	A164-E168 PolarHBondContact O-N 3.38Å; S165-E168 PolarHBondContact O-N 3.2Å; E168-T170 VanDerWaalsContact C-N 3.34Å; E168-T170 PolarHBondContact O-N 3.36Å; E168-A171 PolarHBondContact O-N 3.25Å; E168-A171 VanDerWaalsContact O-N 3.14Å; E168-I172 HydrophobicContact CG-CD1 3.87Å; E168-I172 HydrophobicContact CG-CG1 4.43Å; E168-I172 VanDerWaalsContact O-CG1 3.32Å; E168-I172 WeakPolarHBondContact O-CG1 3.47Å; E168-I172 PolarHBondContact O-N 3.32Å; E168-C199 HydrophobicContact CB-CB 4.11Å; E168-C199 HydrophobicContact CG-CB 4.4Å; E168-R200 HydrophobicContact CG-CB 4.46Å; E168-R200 IonicContact OE1-NE 3.95Å; E168-R203 VanDerWaalsContact CD-NH1 3.32Å; E168-R203 IonicContact OE1-CZ 3.99Å; E168-R203 IonicContact OE1-NH1 2.64Å; E168-R203 PolarHBondContact OE1-NH1 3.45Å; E168-R203 VanDerWaalsContact OE1-NH1 3.17Å; E168-R203 VanDerWaalsContact OE2-CD 3.23Å; E168-R203 WeakPolarHBondContact OE2-CD 3.46Å; E168-R203 IonicContact OE2-CZ 3.18Å; E168-R203 IonicContact OE2-NE 2.72Å; E168-R203 IonicContact OE2-NH1 3.74Å; E168-R203 PolarHBondContact OE2-NH1 2.9Å
169	R	93.8	Very high	93.3	Very high	57 Å²	57	55.7 Å²	55.7	22%	0.215	26%	0.259	C	S	.	.	H	α-helix	trans	-57.8	-45.3	177.3	-70.9	-178.5	-56.8	-171.5	-9.6	111.8	S165 R166 A171 I172 N173 E409	S165-R169 WeakPolarHBondContact O-CG 3.44Å; S165-R169 PolarHBondContact O-N 3.43Å; S165-R169 VanDerWaalsContact O-N 3.08Å; R166-R169 PolarHBondContact O-N 3.34Å; R169-A171 PolarHBondContact O-N 3.19Å; R169-I172 PolarHBondContact O-N 3.12Å; R169-N173 WeakPolarHBondContact O-CB 3.49Å; R169-N173 VanDerWaalsContact O-CG 3.31Å; R169-N173 PolarHBondContact O-N 2.88Å; R169-N173 PolarHBondContact O-ND2 3.36Å; R169-E409 IonicContact CZ-OE1 2.73Å; R169-E409 VanDerWaalsContact CZ-OE1 3.24Å; R169-E409 IonicContact NH1-OE1 3.32Å; R169-E409 PolarHBondContact NH1-OE1 3.17Å; R169-E409 IonicContact NH2-OE1 3.05Å; R169-E409 PolarHBondContact NH2-OE1 3.37Å
170	T	93.1	Very high	92.7	Very high	27 Å²	27	53 Å²	53	17%	0.166	26%	0.258	C	S	.	.	H	α-helix	trans	-61.9	-42.6	175.3	-59.8	0	0	0	0	112.2	R166 L167 E168 N173 Q174	R166-T170 PolarHBondContact O-N 2.84Å; R166-T170 PolarHBondContact O-OG1 3.46Å; L167-T170 PolarHBondContact O-N 3.1Å; E168-T170 VanDerWaalsContact C-N 3.34Å; E168-T170 PolarHBondContact O-N 3.36Å; T170-N173 PolarHBondContact O-N 3.15Å; T170-Q174 VanDerWaalsContact O-CG 3.3Å; T170-Q174 WeakPolarHBondContact O-CG 3.5Å; T170-Q174 PolarHBondContact O-N 3.29Å
171	A	93.3	Very high	91.9	Very high	1 Å²	1	51.9 Å²	51.9	1%	0.008	25%	0.252	C	S	.	.	H	α-helix	trans	-64.9	-42.9	178.3	0	0	0	0	0	112.2	L167 E168 R169 N173 Q174 E175 K195 V196 C199	L167-A171 WeakPolarHBondContact O-CB 3.43Å; L167-A171 PolarHBondContact O-N 3.08Å; E168-A171 PolarHBondContact O-N 3.25Å; E168-A171 VanDerWaalsContact O-N 3.14Å; R169-A171 PolarHBondContact O-N 3.19Å; A171-N173 VanDerWaalsContact C-N 3.33Å; A171-N173 PolarHBondContact O-N 3.19Å; A171-Q174 PolarHBondContact O-N 3.27Å; A171-E175 PolarHBondContact O-N 2.88Å; A171-K195 HydrophobicContact CB-CG 4.31Å; A171-V196 VanDerWaalsContact C-CG2 3.46Å; A171-V196 HydrophobicContact CB-CG2 3.93Å; A171-V196 WeakPolarHBondContact O-CG2 3.36Å; A171-C199 HydrophobicContact CB-CB 4.24Å
172	I	93.4	Very high	91	Very high	61 Å²	61	54.9 Å²	54.9	31%	0.313	28%	0.281	S	S	.	.	H	α-helix	trans	-60.6	-45.5	176.3	-69.7	167.3	0	0	0	110.2	E168 R169 Q174 E175 K176 V196	E168-I172 HydrophobicContact CG-CD1 3.87Å; E168-I172 HydrophobicContact CG-CG1 4.43Å; E168-I172 VanDerWaalsContact O-CG1 3.32Å; E168-I172 WeakPolarHBondContact O-CG1 3.47Å; E168-I172 PolarHBondContact O-N 3.32Å; R169-I172 PolarHBondContact O-N 3.12Å; I172-Q174 PolarHBondContact O-N 3.45Å; I172-E175 PolarHBondContact O-N 3.44Å; I172-K176 WeakPolarHBondContact O-CB 3.34Å; I172-K176 PolarHBondContact O-N 3.32Å; I172-V196 HydrophobicContact CG1-CG1 3.84Å; I172-V196 HydrophobicContact CG1-CG2 4.3Å
173	N	90.4	Very high	90.3	Very high	30 Å²	30	56.7 Å²	56.7	16%	0.16	30%	0.296	C	S	.	.	H	α-helix	trans	-62.7	-41.4	177.7	-77.9	-14.8	0	0	0	112	R169 T170 A171 K176 N177	R169-N173 WeakPolarHBondContact O-CB 3.49Å; R169-N173 VanDerWaalsContact O-CG 3.31Å; R169-N173 PolarHBondContact O-N 2.88Å; R169-N173 PolarHBondContact O-ND2 3.36Å; T170-N173 PolarHBondContact O-N 3.15Å; A171-N173 VanDerWaalsContact C-N 3.33Å; A171-N173 PolarHBondContact O-N 3.19Å; N173-K176 PolarHBondContact O-N 3.23Å; N173-N177 WeakPolarHBondContact O-CB 3.36Å; N173-N177 PolarHBondContact O-N 3.2Å; N173-N177 PolarHBondContact O-OD1 3.46Å
174	Q	90.4	Very high	89.5	Confident	44 Å²	44	55.8 Å²	55.8	21%	0.206	29%	0.292	C	S	.	.	H	α-helix	trans	-63.7	-43.5	175.2	-73.7	173.8	-4.5	0	0	112.2	T170 A171 I172 N177 A178 L192	T170-Q174 VanDerWaalsContact O-CG 3.3Å; T170-Q174 WeakPolarHBondContact O-CG 3.5Å; T170-Q174 PolarHBondContact O-N 3.29Å; A171-Q174 PolarHBondContact O-N 3.27Å; I172-Q174 PolarHBondContact O-N 3.45Å; Q174-N177 PolarHBondContact O-N 3.23Å; Q174-A178 WeakPolarHBondContact O-CB 3.27Å; Q174-A178 PolarHBondContact O-N 2.99Å; Q174-L192 HydrophobicContact CB-CD2 4.08Å
175	E	90.9	Very high	88.9	Confident	30 Å²	30	58.2 Å²	58.2	14%	0.14	31%	0.308	C	S	.	.	H	α-helix	trans	-64	-43.9	177.5	-166.5	-152	-154.4	0	0	111.7	A171 I172 N177 A178 K179 L192 S193 V196	A171-E175 PolarHBondContact O-N 2.88Å; I172-E175 PolarHBondContact O-N 3.44Å; E175-N177 VanDerWaalsContact C-N 3.35Å; E175-N177 PolarHBondContact O-N 3.29Å; E175-A178 PolarHBondContact O-N 3.42Å; E175-K179 HydrophobicContact CG-CD 4.4Å; E175-K179 WeakPolarHBondContact O-CG 3.36Å; E175-K179 PolarHBondContact O-N 3.03Å; E175-K179 WeakPolarHBondContact OE1-CE 3.41Å; E175-K179 IonicContact OE1-NZ 2.87Å; E175-K179 PolarHBondContact OE1-NZ 3.45Å; E175-K179 IonicContact OE2-NZ 3.78Å; E175-K179 PolarHBondContact OE2-NZ 2.87Å; E175-L192 HydrophobicContact CB-CB 4.16Å; E175-L192 HydrophobicContact CG-CB 4.16Å; E175-S193 VanDerWaalsContact OE1-CA 3.29Å; E175-S193 WeakPolarHBondContact OE1-CA 3.19Å; E175-S193 VanDerWaalsContact OE1-CB 3.23Å; E175-S193 WeakPolarHBondContact OE1-CB 3.43Å; E175-S193 PolarHBondContact OE1-OG 3.22Å; E175-V196 HydrophobicContact CB-CG2 3.79Å; E175-V196 HydrophobicContact CG-CG2 4.33Å
176	K	90.3	Very high	88.3	Confident	128 Å²	128	64.8 Å²	64.8	56%	0.557	34%	0.341	S	S	*	.	H	α-helix	trans	-59.6	-44.7	175.9	-176	-177.9	177.3	-173.9	0	111.6	I172 N173 K179 N180	I172-K176 WeakPolarHBondContact O-CB 3.34Å; I172-K176 PolarHBondContact O-N 3.32Å; N173-K176 PolarHBondContact O-N 3.23Å; K176-K179 PolarHBondContact O-N 3.24Å; K176-N180 PolarHBondContact O-N 2.86Å; K176-N180 PolarHBondContact O-ND2 3.31Å
177	N	89.2	Confident	88	Confident	39 Å²	39	67.9 Å²	67.9	21%	0.209	36%	0.356	C	S	.	.	H	α-helix	trans	-66.6	-37.8	178.8	-69.1	-5.6	0	0	0	112.1	N173 Q174 E175 N180 N181 Y448	N173-N177 WeakPolarHBondContact O-CB 3.36Å; N173-N177 PolarHBondContact O-N 3.2Å; N173-N177 PolarHBondContact O-OD1 3.46Å; Q174-N177 PolarHBondContact O-N 3.23Å; E175-N177 VanDerWaalsContact C-N 3.35Å; E175-N177 PolarHBondContact O-N 3.29Å; N177-N180 PolarHBondContact O-N 3.34Å; N177-N181 PolarHBondContact O-N 3.21Å; N177-Y448 PolarHBondContact ND2-OH 3.41Å
178	A	87.6	Confident	87.7	Confident	8 Å²	8	69.5 Å²	69.5	7%	0.066	36%	0.362	C	S	.	.	H	α-helix	trans	-65.9	-43.6	175.5	0	0	0	0	0	112.8	Q174 E175 N180 N181 V184 L192	Q174-A178 WeakPolarHBondContact O-CB 3.27Å; Q174-A178 PolarHBondContact O-N 2.99Å; E175-A178 PolarHBondContact O-N 3.42Å; A178-N180 PolarHBondContact O-N 3.11Å; A178-N181 PolarHBondContact O-N 3.49Å; A178-N181 VanDerWaalsContact O-N 3.09Å; A178-V184 HydrophobicContact CB-CG1 3.99Å; A178-V184 HydrophobicContact CB-CG2 4.47Å; A178-L192 HydrophobicContact CB-CD1 3.3Å
179	K	86	Confident	87.4	Confident	118 Å²	118	70.1 Å²	70.1	51%	0.513	37%	0.367	S	S	.	.	H	α-helix	trans	-62	-27.2	176.6	-74.3	173.6	-179.8	165.5	0	113.2	E175 K176 T189	E175-K179 HydrophobicContact CG-CD 4.4Å; E175-K179 WeakPolarHBondContact O-CG 3.36Å; E175-K179 PolarHBondContact O-N 3.03Å; E175-K179 WeakPolarHBondContact OE1-CE 3.41Å; E175-K179 IonicContact OE1-NZ 2.87Å; E175-K179 PolarHBondContact OE1-NZ 3.45Å; E175-K179 IonicContact OE2-NZ 3.78Å; E175-K179 PolarHBondContact OE2-NZ 2.87Å; K176-K179 PolarHBondContact O-N 3.24Å; K179-T189 HydrophobicContact CG-CG2 3.73Å
180	N	84	Confident	87.3	Confident	127 Å²	127	72.7 Å²	72.7	68%	0.679	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.5	-1.6	178.6	-68.6	-16.8	0	0	0	113.6	K176 N177 A178	K176-N180 PolarHBondContact O-N 2.86Å; K176-N180 PolarHBondContact O-ND2 3.31Å; N177-N180 PolarHBondContact O-N 3.34Å; A178-N180 PolarHBondContact O-N 3.11Å
181	N	82.3	Confident	87.2	Confident	61 Å²	61	77.2 Å²	77.2	33%	0.326	40%	0.397	S	S	.	.			trans	-112.8	111.7	-178.3	-174.5	-3.9	0	0	0	110.6	N177 A178 D183 V184	N177-N181 PolarHBondContact O-N 3.21Å; A178-N181 PolarHBondContact O-N 3.49Å; A178-N181 VanDerWaalsContact O-N 3.09Å; N181-D183 PolarHBondContact O-N 2.99Å; N181-D183 VanDerWaalsContact O-N 3.13Å; N181-D183 PolarHBondContact OD1-N 3.01Å; N181-D183 VanDerWaalsContact OD1-N 3.14Å; N181-V184 HydrophobicContact CB-CG2 3.85Å; N181-V184 PolarHBondContact O-N 3.31Å; N181-V184 VanDerWaalsContact O-N 3.16Å
182	S	77.9	Confident	87.2	Confident	120 Å²	120	79 Å²	79	84%	0.839	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-18.8	-178.7	50.9	0	0	0	0	114.5	V184	S182-V184 VanDerWaalsContact C-N 3.34Å
183	D	81.3	Confident	87.1	Confident	138 Å²	138	77.8 Å²	77.8	74%	0.738	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-11.2	-178.9	-61.4	-21	0	0	0	112.8	N181	N181-D183 PolarHBondContact O-N 2.99Å; N181-D183 VanDerWaalsContact O-N 3.13Å; N181-D183 PolarHBondContact OD1-N 3.01Å; N181-D183 VanDerWaalsContact OD1-N 3.14Å
184	V	78	Confident	87.3	Confident	38 Å²	38	81.4 Å²	81.4	23%	0.23	42%	0.419	C	S	.	.	S	Bend	trans	-85.1	124	-178.4	-178.3	0	0	0	0	109.7	A178 N181 S182 Q188	A178-V184 HydrophobicContact CB-CG1 3.99Å; A178-V184 HydrophobicContact CB-CG2 4.47Å; N181-V184 HydrophobicContact CB-CG2 3.85Å; N181-V184 PolarHBondContact O-N 3.31Å; N181-V184 VanDerWaalsContact O-N 3.16Å; S182-V184 VanDerWaalsContact C-N 3.34Å; V184-Q188 HydrophobicContact CG1-CB 3.52Å
185	S	84.2	Confident	87.5	Confident	63 Å²	63	83.7 Å²	83.7	44%	0.441	43%	0.428	S	S	.	.			trans	-59.9	148.8	179.5	177.1	0	0	0	0	111.5	E187 Q188 T189	S185-E187 PolarHBondContact O-N 3.25Å; S185-E187 PolarHBondContact OG-N 3.45Å; S185-Q188 WeakPolarHBondContact O-CB 3.22Å; S185-Q188 PolarHBondContact O-N 3.43Å; S185-T189 PolarHBondContact O-N 2.97Å; S185-T189 PolarHBondContact O-OG1 3.46Å
186	I	85.1	Confident	87.8	Confident	153 Å²	153	82.8 Å²	82.8	79%	0.785	42%	0.424	S	S	*	.	H	α-helix	trans	-51.5	-39.2	170.9	-62.5	172.2	0	0	0	110.5	T189 K190	I186-T189 PolarHBondContact O-N 2.9Å; I186-K190 WeakPolarHBondContact O-CB 3.42Å; I186-K190 PolarHBondContact O-N 2.92Å
187	E	88.1	Confident	88	Confident	96 Å²	96	80.3 Å²	80.3	45%	0.449	42%	0.42	S	S	.	.	H	α-helix	trans	-68	-35.8	178.8	-175.6	58.9	-160.6	0	0	112.5	S185 K191	S185-E187 PolarHBondContact O-N 3.25Å; S185-E187 PolarHBondContact OG-N 3.45Å; E187-K191 WeakPolarHBondContact O-CG 3.45Å; E187-K191 PolarHBondContact O-N 2.87Å; E187-K191 VanDerWaalsContact O-N 3.08Å
188	Q	88	Confident	88.4	Confident	106 Å²	106	85 Å²	85	50%	0.495	44%	0.439	S	S	.	.	H	α-helix	trans	-69.6	-41.9	175.1	-73.9	173.8	-40.7	0	0	111.4	V184 S185 K190 K191 L192	V184-Q188 HydrophobicContact CG1-CB 3.52Å; S185-Q188 WeakPolarHBondContact O-CB 3.22Å; S185-Q188 PolarHBondContact O-N 3.43Å; Q188-K190 VanDerWaalsContact C-N 3.33Å; Q188-K190 PolarHBondContact O-N 3.25Å; Q188-K191 PolarHBondContact O-N 2.91Å; Q188-L192 PolarHBondContact O-N 3.17Å
189	T	88.3	Confident	88.8	Confident	27 Å²	27	85.4 Å²	85.4	17%	0.166	44%	0.441	C	S	.	.	H	α-helix	trans	-61	-44.1	175.3	-59.1	0	0	0	0	110.7	K179 S185 I186 K191 L192 S193	K179-T189 HydrophobicContact CG-CG2 3.73Å; S185-T189 PolarHBondContact O-N 2.97Å; S185-T189 PolarHBondContact O-OG1 3.46Å; I186-T189 PolarHBondContact O-N 2.9Å; T189-K191 PolarHBondContact O-N 3.38Å; T189-L192 PolarHBondContact O-N 2.83Å; T189-S193 PolarHBondContact O-N 3.06Å; T189-S193 PolarHBondContact O-OG 3.25Å
190	K	91	Very high	89.3	Confident	112 Å²	112	85.2 Å²	85.2	49%	0.487	44%	0.437	S	S	.	.	H	α-helix	trans	-59.3	-44.9	175.9	-173.9	-176.5	173.4	-168.2	0	112.4	I186 Q188 L192 S193 E194	I186-K190 WeakPolarHBondContact O-CB 3.42Å; I186-K190 PolarHBondContact O-N 2.92Å; Q188-K190 VanDerWaalsContact C-N 3.33Å; Q188-K190 PolarHBondContact O-N 3.25Å; K190-L192 VanDerWaalsContact C-N 3.3Å; K190-L192 PolarHBondContact O-N 3.1Å; K190-S193 WeakPolarHBondContact O-CB 3.5Å; K190-S193 PolarHBondContact O-N 3.41Å; K190-E194 WeakPolarHBondContact CE-OE1 3.27Å; K190-E194 WeakPolarHBondContact O-CG 3.49Å; K190-E194 PolarHBondContact O-N 3.28Å
191	K	92.3	Very high	90	Very high	122 Å²	122	83.7 Å²	83.7	53%	0.53	43%	0.429	S	S	.	.	H	α-helix	trans	-60.8	-37.1	175.5	-75.2	178	-178.7	-179.2	0	112.9	E187 Q188 T189 E194 K195	E187-K191 WeakPolarHBondContact O-CG 3.45Å; E187-K191 PolarHBondContact O-N 2.87Å; E187-K191 VanDerWaalsContact O-N 3.08Å; Q188-K191 PolarHBondContact O-N 2.91Å; T189-K191 PolarHBondContact O-N 3.38Å; K191-E194 PolarHBondContact O-N 3.38Å; K191-K195 WeakPolarHBondContact O-CB 3.46Å; K191-K195 PolarHBondContact O-N 2.96Å
192	L	92.1	Very high	90.7	Very high	38 Å²	38	84.6 Å²	84.6	20%	0.199	43%	0.433	C	S	.	.	H	α-helix	trans	-69.7	-39.1	175	-71	170.7	0	0	0	111.7	Q174 E175 A178 Q188 T189 K190 E194 K195 V196	Q174-L192 HydrophobicContact CB-CD2 4.08Å; E175-L192 HydrophobicContact CB-CB 4.16Å; E175-L192 HydrophobicContact CG-CB 4.16Å; A178-L192 HydrophobicContact CB-CD1 3.3Å; Q188-L192 PolarHBondContact O-N 3.17Å; T189-L192 PolarHBondContact O-N 2.83Å; K190-L192 VanDerWaalsContact C-N 3.3Å; K190-L192 PolarHBondContact O-N 3.1Å; L192-E194 PolarHBondContact O-N 3.47Å; L192-K195 WeakPolarHBondContact O-CB 3.42Å; L192-K195 PolarHBondContact O-N 2.96Å; L192-V196 WeakPolarHBondContact O-CG2 3.39Å; L192-V196 PolarHBondContact O-N 3.26Å
193	S	92.4	Very high	91.6	Very high	35 Å²	35	81.8 Å²	81.8	25%	0.245	40%	0.404	C	S	.	.	H	α-helix	trans	-59.6	-44.3	171.7	-60.1	0	0	0	0	112	E175 T189 K190 K195 V196 V197	E175-S193 VanDerWaalsContact OE1-CA 3.29Å; E175-S193 WeakPolarHBondContact OE1-CA 3.19Å; E175-S193 VanDerWaalsContact OE1-CB 3.23Å; E175-S193 WeakPolarHBondContact OE1-CB 3.43Å; E175-S193 PolarHBondContact OE1-OG 3.22Å; T189-S193 PolarHBondContact O-N 3.06Å; T189-S193 PolarHBondContact O-OG 3.25Å; K190-S193 WeakPolarHBondContact O-CB 3.5Å; K190-S193 PolarHBondContact O-N 3.41Å; S193-K195 VanDerWaalsContact C-N 3.33Å; S193-K195 PolarHBondContact O-N 2.76Å; S193-V196 PolarHBondContact O-N 2.99Å; S193-V197 WeakPolarHBondContact O-CG2 3.42Å; S193-V197 PolarHBondContact O-N 2.9Å
194	E	94.4	Very high	92.4	Very high	107 Å²	107	78.3 Å²	78.3	50%	0.5	39%	0.386	S	S	.	.	H	α-helix	trans	-61.9	-39.6	174.6	-71.3	171.7	-173.8	0	0	111.8	K190 K191 L192 V197 K198	K190-E194 WeakPolarHBondContact CE-OE1 3.27Å; K190-E194 WeakPolarHBondContact O-CG 3.49Å; K190-E194 PolarHBondContact O-N 3.28Å; K191-E194 PolarHBondContact O-N 3.38Å; L192-E194 PolarHBondContact O-N 3.47Å; E194-V197 PolarHBondContact O-N 3.36Å; E194-K198 PolarHBondContact O-N 3.11Å
195	K	94.8	Very high	93.3	Very high	92 Å²	92	84.2 Å²	84.2	40%	0.4	41%	0.408	S	S	.	.	H	α-helix	trans	-63.3	-41.2	174.4	-173.3	-178.6	177.6	-173.3	0	112.1	A171 K191 L192 S193 K198 C199	A171-K195 HydrophobicContact CB-CG 4.31Å; K191-K195 WeakPolarHBondContact O-CB 3.46Å; K191-K195 PolarHBondContact O-N 2.96Å; L192-K195 WeakPolarHBondContact O-CB 3.42Å; L192-K195 PolarHBondContact O-N 2.96Å; S193-K195 VanDerWaalsContact C-N 3.33Å; S193-K195 PolarHBondContact O-N 2.76Å; K195-K198 PolarHBondContact O-N 2.93Å; K195-C199 WeakPolarHBondContact O-CB 3.3Å; K195-C199 PolarHBondContact O-N 3.17Å; K195-C199 PolarHBondContact O-SG 3.19Å; K195-C199 VanDerWaalsContact O-SG 3.35Å
196	V	95.8	Very high	94	Very high	10 Å²	10	81.9 Å²	81.9	6%	0.061	39%	0.393	C	S	.	.	H	α-helix	trans	-60.8	-47.2	175.5	169.8	0	0	0	0	111	A171 I172 E175 L192 S193 K198 C199 R200	A171-V196 VanDerWaalsContact C-CG2 3.46Å; A171-V196 HydrophobicContact CB-CG2 3.93Å; A171-V196 WeakPolarHBondContact O-CG2 3.36Å; I172-V196 HydrophobicContact CG1-CG1 3.84Å; I172-V196 HydrophobicContact CG1-CG2 4.3Å; E175-V196 HydrophobicContact CB-CG2 3.79Å; E175-V196 HydrophobicContact CG-CG2 4.33Å; L192-V196 WeakPolarHBondContact O-CG2 3.39Å; L192-V196 PolarHBondContact O-N 3.26Å; S193-V196 PolarHBondContact O-N 2.99Å; V196-K198 VanDerWaalsContact C-N 3.34Å; V196-K198 PolarHBondContact O-N 2.72Å; V196-C199 PolarHBondContact O-N 3.04Å; V196-R200 WeakPolarHBondContact O-CB 3.07Å; V196-R200 PolarHBondContact O-N 3.47Å
197	V	96.4	Very high	94.6	Very high	77 Å²	77	77 Å²	77	47%	0.467	37%	0.367	S	S	.	.	H	α-helix	trans	-59.2	-47	177.2	174.2	0	0	0	0	110.5	S193 E194 C199 R200 D201	S193-V197 WeakPolarHBondContact O-CG2 3.42Å; S193-V197 PolarHBondContact O-N 2.9Å; E194-V197 PolarHBondContact O-N 3.36Å; V197-C199 PolarHBondContact O-N 3.47Å; V197-R200 WeakPolarHBondContact O-CB 3.46Å; V197-R200 PolarHBondContact O-N 3Å; V197-D201 PolarHBondContact O-N 3.38Å
198	K	96.4	Very high	95.1	Very high	137 Å²	137	74.3 Å²	74.3	60%	0.596	37%	0.365	S	S	*	.	H	α-helix	trans	-59.8	-47	177.3	-175.9	179.6	177.4	-178.1	0	112.7	E194 K195 V196 R200 D201 D202	E194-K198 PolarHBondContact O-N 3.11Å; K195-K198 PolarHBondContact O-N 2.93Å; V196-K198 VanDerWaalsContact C-N 3.34Å; V196-K198 PolarHBondContact O-N 2.72Å; K198-R200 VanDerWaalsContact C-N 3.27Å; K198-R200 PolarHBondContact O-N 3.3Å; K198-D201 PolarHBondContact O-N 2.92Å; K198-D202 WeakPolarHBondContact O-CB 3.34Å; K198-D202 PolarHBondContact O-N 3.38Å
199	C	96.3	Very high	95.6	Very high	16 Å²	16	71.7 Å²	71.7	11%	0.108	36%	0.361	C	S	.	.	H	α-helix	trans	-64.3	-33.3	178.8	-70.6	0	0	0	0	112.3	E168 A171 K195 V196 V197 R203	E168-C199 HydrophobicContact CB-CB 4.11Å; E168-C199 HydrophobicContact CG-CB 4.4Å; A171-C199 HydrophobicContact CB-CB 4.24Å; K195-C199 WeakPolarHBondContact O-CB 3.3Å; K195-C199 PolarHBondContact O-N 3.17Å; K195-C199 PolarHBondContact O-SG 3.19Å; K195-C199 VanDerWaalsContact O-SG 3.35Å; V196-C199 PolarHBondContact O-N 3.04Å; V197-C199 PolarHBondContact O-N 3.47Å; C199-R203 WeakPolarHBondContact O-CB 3.49Å; C199-R203 PolarHBondContact O-N 3.44Å
200	R	96.8	Very high	96.1	Very high	114 Å²	114	72.7 Å²	72.7	43%	0.43	36%	0.362	S	S	.	.	H	α-helix	trans	-65.2	-48.3	172.9	-177.7	-178.6	-66.1	165.1	1.1	111.6	E168 V196 V197 K198 D202 R203 D204	E168-R200 HydrophobicContact CG-CB 4.46Å; E168-R200 IonicContact OE1-NE 3.95Å; V196-R200 WeakPolarHBondContact O-CB 3.07Å; V196-R200 PolarHBondContact O-N 3.47Å; V197-R200 WeakPolarHBondContact O-CB 3.46Å; V197-R200 PolarHBondContact O-N 3Å; K198-R200 VanDerWaalsContact C-N 3.27Å; K198-R200 PolarHBondContact O-N 3.3Å; R200-D202 VanDerWaalsContact C-N 3.29Å; R200-D202 PolarHBondContact O-N 3.01Å; R200-R203 WeakPolarHBondContact O-CB 3.35Å; R200-R203 PolarHBondContact O-N 3Å; R200-R203 VanDerWaalsContact O-N 3.16Å; R200-D204 PolarHBondContact O-N 3.03Å
201	D	97.3	Very high	96.4	Very high	96 Å²	96	72.7 Å²	72.7	51%	0.513	36%	0.362	S	S	.	.	H	α-helix	trans	-60.2	-41.1	177.6	-67.8	-14.8	0	0	0	111.3	V197 K198 D204 K205	V197-D201 PolarHBondContact O-N 3.38Å; K198-D201 PolarHBondContact O-N 2.92Å; D201-D204 PolarHBondContact O-N 2.98Å; D201-K205 WeakPolarHBondContact O-CB 3.5Å; D201-K205 PolarHBondContact O-N 3.24Å
202	D	97.2	Very high	96.7	Very high	79 Å²	79	73.2 Å²	73.2	42%	0.422	36%	0.364	S	S	.	.	H	α-helix	trans	-64.3	-40.8	175.8	-74.8	-26.8	0	0	0	111.8	K198 R200 A206	K198-D202 WeakPolarHBondContact O-CB 3.34Å; K198-D202 PolarHBondContact O-N 3.38Å; R200-D202 VanDerWaalsContact C-N 3.29Å; R200-D202 PolarHBondContact O-N 3.01Å; D202-A206 WeakPolarHBondContact O-CB 3.39Å; D202-A206 PolarHBondContact O-N 3.18Å
203	R	97.8	Very high	97	Very high	61 Å²	61	71.4 Å²	71.4	23%	0.23	36%	0.355	C	S	.	.	H	α-helix	trans	-62.6	-48.9	173.4	-177.6	-150.6	64.2	-167.7	6.8	111.4	Y161 A164 E168 C199 R200 K205 A206 E207	Y161-R203 HydrophobicContact CD2-CG 4.27Å; Y161-R203 HydrophobicContact CE2-CG 3.98Å; A164-R203 HydrophobicContact CB-CB 4.21Å; E168-R203 VanDerWaalsContact CD-NH1 3.32Å; E168-R203 IonicContact OE1-CZ 3.99Å; E168-R203 IonicContact OE1-NH1 2.64Å; E168-R203 PolarHBondContact OE1-NH1 3.45Å; E168-R203 VanDerWaalsContact OE1-NH1 3.17Å; E168-R203 VanDerWaalsContact OE2-CD 3.23Å; E168-R203 WeakPolarHBondContact OE2-CD 3.46Å; E168-R203 IonicContact OE2-CZ 3.18Å; E168-R203 IonicContact OE2-NE 2.72Å; E168-R203 IonicContact OE2-NH1 3.74Å; E168-R203 PolarHBondContact OE2-NH1 2.9Å; C199-R203 WeakPolarHBondContact O-CB 3.49Å; C199-R203 PolarHBondContact O-N 3.44Å; R200-R203 WeakPolarHBondContact O-CB 3.35Å; R200-R203 PolarHBondContact O-N 3Å; R200-R203 VanDerWaalsContact O-N 3.16Å; R203-K205 VanDerWaalsContact C-N 3.27Å; R203-K205 PolarHBondContact O-N 3.2Å; R203-A206 CarbonylContact O-C 3.35Å; R203-A206 PolarHBondContact O-N 3.36Å; R203-A206 VanDerWaalsContact O-N 3.1Å; R203-E207 WeakPolarHBondContact O-CB 3.47Å; R203-E207 PolarHBondContact O-N 3.44Å
204	D	97.9	Very high	97.3	Very high	66 Å²	66	73 Å²	73	35%	0.353	36%	0.361	S	S	.	.	H	α-helix	trans	-62.2	-39	-178.1	-71.4	-10.4	0	0	0	111.2	R200 D201 E207 G208	R200-D204 PolarHBondContact O-N 3.03Å; D201-D204 PolarHBondContact O-N 2.98Å; D204-E207 PolarHBondContact O-N 2.9Å; D204-G208 PolarHBondContact O-N 3.37Å
205	K	97.9	Very high	97.5	Very high	161 Å²	161	71.4 Å²	71.4	70%	0.7	36%	0.358	S	S	*	.	H	α-helix	trans	-63.5	-44.2	172.5	-174	179.4	179.7	-178.4	0	112.2	D201 R203 G208 A209	D201-K205 WeakPolarHBondContact O-CB 3.5Å; D201-K205 PolarHBondContact O-N 3.24Å; R203-K205 VanDerWaalsContact C-N 3.27Å; R203-K205 PolarHBondContact O-N 3.2Å; K205-G208 PolarHBondContact O-N 2.68Å; K205-A209 WeakPolarHBondContact O-CB 3.44Å; K205-A209 PolarHBondContact O-N 3.04Å
206	A	97.9	Very high	97.6	Very high	15 Å²	15	69 Å²	69	12%	0.124	35%	0.35	C	S	.	.	H	α-helix	trans	-67.5	-38.8	177.8	0	0	0	0	0	112.1	A164 D202 R203 A209 Y210	A164-A206 HydrophobicContact CB-CB 4.1Å; D202-A206 WeakPolarHBondContact O-CB 3.39Å; D202-A206 PolarHBondContact O-N 3.18Å; R203-A206 CarbonylContact O-C 3.35Å; R203-A206 PolarHBondContact O-N 3.36Å; R203-A206 VanDerWaalsContact O-N 3.1Å; A206-A209 PolarHBondContact O-N 3.23Å; A206-Y210 WeakPolarHBondContact O-CB 3.22Å; A206-Y210 PolarHBondContact O-N 3.25Å
207	E	98.4	Very high	97.7	Very high	51 Å²	51	69.3 Å²	69.3	24%	0.238	35%	0.351	C	S	.	.	H	α-helix	trans	-62.9	-46.9	174.3	-166.7	-168.2	-175	0	0	110.8	Y161 R203 D204 A209 Y210 K211	Y161-E207 HydrophobicContact CD2-CB 3.63Å; Y161-E207 HydrophobicContact CD2-CG 4.08Å; Y161-E207 HydrophobicContact CE2-CB 3.63Å; Y161-E207 HydrophobicContact CE2-CG 3.73Å; R203-E207 WeakPolarHBondContact O-CB 3.47Å; R203-E207 PolarHBondContact O-N 3.44Å; D204-E207 PolarHBondContact O-N 2.9Å; E207-A209 VanDerWaalsContact C-N 3.31Å; E207-A209 PolarHBondContact O-N 2.95Å; E207-Y210 PolarHBondContact O-N 3.49Å; E207-Y210 VanDerWaalsContact O-N 3.16Å; E207-K211 HydrophobicContact CG-CD 4.32Å; E207-K211 WeakPolarHBondContact O-CB 3.28Å; E207-K211 WeakPolarHBondContact O-CG 3.38Å; E207-K211 PolarHBondContact O-N 2.94Å; E207-K211 WeakPolarHBondContact OE1-CE 3.47Å; E207-K211 IonicContact OE1-NZ 3.17Å; E207-K211 PolarHBondContact OE1-NZ 3.46Å; E207-K211 IonicContact OE2-NZ 3.97Å
208	G	98.3	Very high	97.8	Very high	39 Å²	39	71 Å²	71	40%	0.402	36%	0.357	S	S	.	.	H	α-helix	trans	-58.9	-41.5	175	0	0	0	0	0	112.5	D204 K205 K212	D204-G208 PolarHBondContact O-N 3.37Å; K205-G208 PolarHBondContact O-N 2.68Å; G208-K212 VanDerWaalsContact O-CB 3.3Å; G208-K212 WeakPolarHBondContact O-CB 3.35Å; G208-K212 PolarHBondContact O-N 3.27Å
209	A	98.2	Very high	97.9	Very high	50 Å²	50	71.4 Å²	71.4	41%	0.413	36%	0.361	S	S	.	.	H	α-helix	trans	-66.1	-38.3	174.8	0	0	0	0	0	112.7	K205 A206 E207 A213	K205-A209 WeakPolarHBondContact O-CB 3.44Å; K205-A209 PolarHBondContact O-N 3.04Å; A206-A209 PolarHBondContact O-N 3.23Å; E207-A209 VanDerWaalsContact C-N 3.31Å; E207-A209 PolarHBondContact O-N 2.95Å; A209-A213 WeakPolarHBondContact O-CB 3.45Å; A209-A213 PolarHBondContact O-N 3.02Å
210	Y	98.5	Very high	98	Very high	49 Å²	49	72.4 Å²	72.4	19%	0.192	37%	0.365	C	S	.	.	H	α-helix	trans	-66.9	-49	176.1	179.4	-138.1	0	0	0	111.9	V154 S157 R158 Y161 A206 E207 K212 A213 L214	V154-Y210 HydrophobicContact CG1-CE2 3.88Å; S157-Y210 WeakPolarHBondContact OG-CA 3.46Å; R158-Y210 HydrophobicContact CB-CD2 3.97Å; R158-Y210 HydrophobicContact CB-CE2 3.6Å; R158-Y210 HydrophobicContact CG-CE2 4.2Å; Y161-Y210 AromaticContact CD1-CD1 3.95Å; Y161-Y210 HydrophobicContact CD1-CD1 3.95Å; Y161-Y210 HydrophobicContact CD1-CE1 4.44Å; Y161-Y210 HydrophobicContact CG-CD1 4.43Å; A206-Y210 WeakPolarHBondContact O-CB 3.22Å; A206-Y210 PolarHBondContact O-N 3.25Å; E207-Y210 PolarHBondContact O-N 3.49Å; E207-Y210 VanDerWaalsContact O-N 3.16Å; Y210-K212 VanDerWaalsContact C-N 3.34Å; Y210-K212 PolarHBondContact O-N 3.48Å; Y210-A213 PolarHBondContact O-N 2.9Å; Y210-A213 VanDerWaalsContact O-N 3.17Å; Y210-L214 HydrophobicContact CD1-CD1 4.49Å; Y210-L214 HydrophobicContact CD2-CD1 4.26Å; Y210-L214 HydrophobicContact CD2-CG 4.24Å; Y210-L214 HydrophobicContact CE1-CD1 4.06Å; Y210-L214 HydrophobicContact CE2-CD1 3.81Å; Y210-L214 HydrophobicContact CE2-CD2 4.21Å; Y210-L214 HydrophobicContact CE2-CG 3.87Å; Y210-L214 PolarHBondContact O-N 3.39Å
211	K	98.5	Very high	98	Very high	112 Å²	112	71.4 Å²	71.4	49%	0.487	36%	0.363	S	S	.	.	H	α-helix	trans	-56.9	-46.2	174.2	-73.4	177.2	-178.8	165.4	0	111.6	E207 A213 L214 T215	E207-K211 HydrophobicContact CG-CD 4.32Å; E207-K211 WeakPolarHBondContact O-CB 3.28Å; E207-K211 WeakPolarHBondContact O-CG 3.38Å; E207-K211 PolarHBondContact O-N 2.94Å; E207-K211 WeakPolarHBondContact OE1-CE 3.47Å; E207-K211 IonicContact OE1-NZ 3.17Å; E207-K211 PolarHBondContact OE1-NZ 3.46Å; E207-K211 IonicContact OE2-NZ 3.97Å; K211-A213 PolarHBondContact O-N 2.95Å; K211-L214 PolarHBondContact O-N 3.07Å; K211-T215 PolarHBondContact O-N 2.76Å; K211-T215 PolarHBondContact O-OG1 3.04Å
212	K	98.3	Very high	98.1	Very high	132 Å²	132	70.2 Å²	70.2	57%	0.574	37%	0.367	S	S	*	.	H	α-helix	trans	-60.1	-44.3	176	-176.2	175.6	-178.3	175.6	0	112.3	G208 Y210 L214 T215 D216	G208-K212 VanDerWaalsContact O-CB 3.3Å; G208-K212 WeakPolarHBondContact O-CB 3.35Å; G208-K212 PolarHBondContact O-N 3.27Å; Y210-K212 VanDerWaalsContact C-N 3.34Å; Y210-K212 PolarHBondContact O-N 3.48Å; K212-L214 VanDerWaalsContact C-N 3.31Å; K212-L214 PolarHBondContact O-N 3.47Å; K212-T215 PolarHBondContact O-N 2.79Å; K212-D216 PolarHBondContact O-N 3.08Å
213	A	98.3	Very high	98.1	Very high	1 Å²	1	72.2 Å²	72.2	1%	0.008	37%	0.368	C	S	.	.	H	α-helix	trans	-62.8	-37.9	177.9	0	0	0	0	0	112.2	K153 V154 S157 A209 Y210 K211 L217	K153-A213 HydrophobicContact CD-CB 4.36Å; K153-A213 HydrophobicContact CG-CB 4.13Å; V154-A213 HydrophobicContact CB-CB 4.48Å; V154-A213 VanDerWaalsContact CG2-C 3.45Å; V154-A213 HydrophobicContact CG2-CB 3.75Å; V154-A213 VanDerWaalsContact CG2-O 3.22Å; V154-A213 WeakPolarHBondContact CG2-O 3.38Å; S157-A213 WeakPolarHBondContact OG-CB 3.29Å; A209-A213 WeakPolarHBondContact O-CB 3.45Å; A209-A213 PolarHBondContact O-N 3.02Å; Y210-A213 PolarHBondContact O-N 2.9Å; Y210-A213 VanDerWaalsContact O-N 3.17Å; K211-A213 PolarHBondContact O-N 2.95Å; A213-L217 WeakPolarHBondContact O-CB 3.43Å; A213-L217 PolarHBondContact O-N 2.86Å
214	L	98.3	Very high	98.1	Very high	69 Å²	69	69.4 Å²	69.4	36%	0.361	36%	0.358	S	S	.	.	H	α-helix	trans	-65.6	-42.4	174.2	-74.5	171.9	0	0	0	112	V154 Y210 K211 K212 L217 N218	V154-L214 HydrophobicContact CG1-CD2 3.63Å; V154-L214 HydrophobicContact CG1-CG 4.29Å; V154-L214 HydrophobicContact CG2-CD2 4.28Å; Y210-L214 HydrophobicContact CD1-CD1 4.49Å; Y210-L214 HydrophobicContact CD2-CD1 4.26Å; Y210-L214 HydrophobicContact CD2-CG 4.24Å; Y210-L214 HydrophobicContact CE1-CD1 4.06Å; Y210-L214 HydrophobicContact CE2-CD1 3.81Å; Y210-L214 HydrophobicContact CE2-CD2 4.21Å; Y210-L214 HydrophobicContact CE2-CG 3.87Å; Y210-L214 PolarHBondContact O-N 3.39Å; K211-L214 PolarHBondContact O-N 3.07Å; K212-L214 VanDerWaalsContact C-N 3.31Å; K212-L214 PolarHBondContact O-N 3.47Å; L214-L217 PolarHBondContact O-N 3.34Å; L214-N218 WeakPolarHBondContact O-CB 3.3Å; L214-N218 PolarHBondContact O-N 3.14Å
215	T	98.4	Very high	98.2	Very high	73 Å²	73	69.5 Å²	69.5	45%	0.448	36%	0.356	S	S	.	.	H	α-helix	trans	-59.9	-52.5	174.4	-58.7	0	0	0	0	111.1	K211 K212 L217 N218 E219	K211-T215 PolarHBondContact O-N 2.76Å; K211-T215 PolarHBondContact O-OG1 3.04Å; K212-T215 PolarHBondContact O-N 2.79Å; T215-L217 PolarHBondContact O-N 2.85Å; T215-N218 PolarHBondContact O-N 2.96Å; T215-N218 VanDerWaalsContact O-N 3.11Å; T215-E219 HydrophobicContact CG2-CG 4.37Å; T215-E219 WeakPolarHBondContact CG2-OE1 3.42Å; T215-E219 WeakPolarHBondContact O-CG 3.44Å; T215-E219 PolarHBondContact O-N 3.1Å
216	D	98	Very high	98.2	Very high	41 Å²	41	67.1 Å²	67.1	22%	0.219	35%	0.347	C	S	.	.	H	α-helix	trans	-54.8	-41.5	178	-62.8	-16.1	0	0	0	111.2	L150 K153 K212 H220	L150-D216 HydrophobicContact CD2-CB 4.05Å; K153-D216 IonicContact NZ-OD2 3.51Å; K153-D216 PolarHBondContact NZ-OD2 2.95Å; K212-D216 PolarHBondContact O-N 3.08Å; D216-H220 PolarHBondContact O-N 3.21Å
217	L	97.9	Very high	98.2	Very high	17 Å²	17	67.9 Å²	67.9	9%	0.089	35%	0.349	C	S	.	.	H	α-helix	trans	-66.9	-45.9	178	-177	69.8	0	0	0	111.8	W147 L150 Y151 V154 A213 L214 T215 H220 K221	W147-L217 HydrophobicContact CD2-CD1 3.88Å; W147-L217 HydrophobicContact CE3-CD1 3.62Å; W147-L217 HydrophobicContact CE3-CG 4.4Å; W147-L217 HydrophobicContact CH2-CD1 3.87Å; W147-L217 HydrophobicContact CH2-CD2 4.28Å; W147-L217 HydrophobicContact CH2-CG 3.87Å; W147-L217 HydrophobicContact CZ2-CD1 4.13Å; W147-L217 HydrophobicContact CZ2-CD2 4.46Å; W147-L217 HydrophobicContact CZ2-CG 4.39Å; W147-L217 HydrophobicContact CZ3-CD1 3.59Å; W147-L217 HydrophobicContact CZ3-CG 3.86Å; W147-L217 WeakPolarHBondContact CZ3-O 3.41Å; L150-L217 HydrophobicContact CB-CB 4.36Å; L150-L217 HydrophobicContact CB-CD1 3.53Å; Y151-L217 HydrophobicContact CD2-CD2 4.33Å; V154-L217 HydrophobicContact CG2-CB 4.01Å; V154-L217 HydrophobicContact CG2-CD2 3.93Å; A213-L217 WeakPolarHBondContact O-CB 3.43Å; A213-L217 PolarHBondContact O-N 2.86Å; L214-L217 PolarHBondContact O-N 3.34Å; T215-L217 PolarHBondContact O-N 2.85Å; L217-H220 PolarHBondContact O-N 2.77Å; L217-K221 PolarHBondContact O-N 2.89Å
218	N	97.6	Very high	98.2	Very high	111 Å²	111	65.4 Å²	65.4	59%	0.594	34%	0.338	S	S	*	.	H	α-helix	trans	-67.9	-37.1	-177.4	-168.2	52.9	0	0	0	112.1	L214 T215 H220 K221	L214-N218 WeakPolarHBondContact O-CB 3.3Å; L214-N218 PolarHBondContact O-N 3.14Å; T215-N218 PolarHBondContact O-N 2.96Å; T215-N218 VanDerWaalsContact O-N 3.11Å; N218-H220 VanDerWaalsContact C-N 3.26Å; N218-H220 PolarHBondContact O-N 3.06Å; N218-K221 WeakPolarHBondContact O-CB 2.96Å; N218-K221 PolarHBondContact O-N 3.17Å; N218-K221 VanDerWaalsContact O-N 3.17Å
219	E	98	Very high	98.2	Very high	146 Å²	146	66.9 Å²	66.9	68%	0.682	34%	0.336	S	S	*	.	H	α-helix	trans	-61.3	-34.7	173.7	-73.2	176.2	-179.2	0	0	112.2	T215	T215-E219 HydrophobicContact CG2-CG 4.37Å; T215-E219 WeakPolarHBondContact CG2-OE1 3.42Å; T215-E219 WeakPolarHBondContact O-CG 3.44Å; T215-E219 PolarHBondContact O-N 3.1Å
220	H	97.8	Very high	98.3	Very high	38 Å²	38	70.2 Å²	70.2	18%	0.176	34%	0.343	C	S	.	.	H	α-helix	trans	-81.1	-14.9	177.5	-169.6	56.8	0	0	0	114	T146 L150 D216 L217 N218 A222 R223 Y224	T146-H220 WeakPolarHBondContact CB-NE2 3.45Å; T146-H220 WeakPolarHBondContact CG2-NE2 3.45Å; L150-H220 HydrophobicContact CD1-CB 3.51Å; D216-H220 PolarHBondContact O-N 3.21Å; L217-H220 PolarHBondContact O-N 2.77Å; N218-H220 VanDerWaalsContact C-N 3.26Å; N218-H220 PolarHBondContact O-N 3.06Å; H220-A222 PolarHBondContact O-N 3.35Å; H220-R223 PolarHBondContact O-N 3.48Å; H220-R223 VanDerWaalsContact O-N 3.14Å; H220-Y224 PolarHBondContact O-N 3.33Å
221	K	98	Very high	98.3	Very high	92 Å²	92	68.1 Å²	68.1	40%	0.4	34%	0.335	S	S	.	.	H	α-helix	trans	-54.3	-46.3	-172	-174.9	179.9	176.7	-179.7	0	113.3	W147 L217 N218 R223 Y224 Q225	W147-K221 HydrophobicContact CH2-CB 4.2Å; W147-K221 HydrophobicContact CH2-CG 4.07Å; W147-K221 HydrophobicContact CZ3-CB 3.78Å; W147-K221 HydrophobicContact CZ3-CG 4.07Å; L217-K221 PolarHBondContact O-N 2.89Å; N218-K221 WeakPolarHBondContact O-CB 2.96Å; N218-K221 PolarHBondContact O-N 3.17Å; N218-K221 VanDerWaalsContact O-N 3.17Å; K221-R223 VanDerWaalsContact C-N 3.34Å; K221-R223 PolarHBondContact O-N 2.84Å; K221-Y224 PolarHBondContact O-N 3.15Å; K221-Q225 HydrophobicContact CG-CG 4.5Å; K221-Q225 WeakPolarHBondContact O-CG 3.16Å; K221-Q225 PolarHBondContact O-N 2.91Å
222	A	98.1	Very high	98.3	Very high	71 Å²	71	66 Å²	66	59%	0.587	33%	0.326	S	S	*	.	H	α-helix	trans	-60.4	-44	-179	0	0	0	0	0	111.8	H220 Q225 E226	H220-A222 PolarHBondContact O-N 3.35Å; A222-Q225 PolarHBondContact O-N 2.99Å; A222-E226 WeakPolarHBondContact O-CB 3.27Å; A222-E226 PolarHBondContact O-N 2.98Å
223	R	98.1	Very high	98.3	Very high	121 Å²	121	65.9 Å²	65.9	46%	0.457	33%	0.326	S	S	.	.	H	α-helix	trans	-67.1	-43	178.6	-179	61.1	-167.9	-174.1	1.2	112.1	H220 K221 Q225 E226 D227	H220-R223 PolarHBondContact O-N 3.48Å; H220-R223 VanDerWaalsContact O-N 3.14Å; K221-R223 VanDerWaalsContact C-N 3.34Å; K221-R223 PolarHBondContact O-N 2.84Å; R223-Q225 VanDerWaalsContact C-N 3.33Å; R223-Q225 PolarHBondContact O-N 2.57Å; R223-E226 IonicContact CZ-OE2 2.79Å; R223-E226 IonicContact NH1-OE1 3.24Å; R223-E226 IonicContact NH1-OE2 3.81Å; R223-E226 PolarHBondContact NH1-OE2 2.99Å; R223-E226 PolarHBondContact O-N 3.17Å; R223-D227 IonicContact CZ-OD1 2.74Å; R223-D227 IonicContact CZ-OD2 3.71Å; R223-D227 VanDerWaalsContact NE-CG 3.35Å; R223-D227 IonicContact NE-OD1 3.53Å; R223-D227 PolarHBondContact NE-OD1 3.08Å; R223-D227 VanDerWaalsContact NE-OD1 3.13Å; R223-D227 IonicContact NE-OD2 2.68Å; R223-D227 PolarHBondContact NE-OD2 3.29Å; R223-D227 IonicContact NH1-OD1 3.71Å; R223-D227 IonicContact NH2-OD1 3.49Å; R223-D227 PolarHBondContact NH2-OD1 2.93Å; R223-D227 IonicContact NH2-OD2 3.55Å; R223-D227 WeakPolarHBondContact O-CB 3.31Å; R223-D227 PolarHBondContact O-N 3.08Å
224	Y	98.4	Very high	98.2	Very high	3 Å²	3	70.9 Å²	70.9	1%	0.012	34%	0.344	C	S	.	.	H	α-helix	trans	-56.8	-47.4	174.4	164.1	-115.2	0	0	0	111.6	W21 Q144 W147 H220 K221 D227 M228	W21-Y224 AromaticContact CE3-CE1 3.9Å; W21-Y224 HydrophobicContact CE3-CE1 3.9Å; W21-Y224 HydrophobicContact CZ3-CE1 4.41Å; W21-Y224 PolarHBondContact O-OH 3.4Å; Q144-Y224 HydrophobicContact CB-CE2 4.16Å; Q144-Y224 HydrophobicContact CG-CE2 3.75Å; Q144-Y224 PolarHBondContact NE2-OH 3.27Å; Q144-Y224 VanDerWaalsContact NE2-OH 3.15Å; W147-Y224 HydrophobicContact CB-CD1 4.44Å; W147-Y224 HydrophobicContact CB-CD2 3.58Å; W147-Y224 HydrophobicContact CB-CE2 4.01Å; W147-Y224 HydrophobicContact CB-CG 3.83Å; W147-Y224 AromaticContact CD2-CD1 3.49Å; W147-Y224 HydrophobicContact CD2-CD1 3.49Å; W147-Y224 VanDerWaalsContact CD2-CD1 3.49Å; W147-Y224 HydrophobicContact CD2-CD2 4.26Å; W147-Y224 AromaticContact CD2-CE1 3.87Å; W147-Y224 HydrophobicContact CD2-CE1 3.87Å; W147-Y224 AromaticContact CD2-CG 3.71Å; W147-Y224 HydrophobicContact CD2-CG 3.71Å; W147-Y224 AromaticContact CE2-CD1 3.88Å; W147-Y224 AromaticContact CE2-CE1 3.86Å; W147-Y224 AromaticContact CE3-CD1 3.6Å; W147-Y224 HydrophobicContact CE3-CD1 3.6Å; W147-Y224 HydrophobicContact CE3-CE1 4.4Å; W147-Y224 AromaticContact CE3-CG 3.73Å; W147-Y224 HydrophobicContact CE3-CG 3.73Å; W147-Y224 AromaticContact CG-CD1 3.89Å; W147-Y224 HydrophobicContact CG-CD1 3.89Å; W147-Y224 AromaticContact CG-CD2 3.83Å; W147-Y224 HydrophobicContact CG-CD2 3.83Å; W147-Y224 HydrophobicContact CG-CE1 4.05Å; W147-Y224 AromaticContact CG-CE2 3.99Å; W147-Y224 HydrophobicContact CG-CE2 3.99Å; W147-Y224 AromaticContact CG-CG 3.78Å; W147-Y224 HydrophobicContact CG-CG 3.78Å; W147-Y224 HydrophobicContact CH2-CD1 4.42Å; W147-Y224 HydrophobicContact CZ2-CD1 4.32Å; W147-Y224 HydrophobicContact CZ2-CE1 4.38Å; W147-Y224 HydrophobicContact CZ3-CD1 4.09Å; W147-Y224 AromaticContact NE1-CE1 3.99Å; H220-Y224 PolarHBondContact O-N 3.33Å; K221-Y224 PolarHBondContact O-N 3.15Å; Y224-D227 PolarHBondContact O-N 2.91Å; Y224-M228 HydrophobicContact CD2-CG 3.67Å; Y224-M228 HydrophobicContact CD2-SD 4.46Å; Y224-M228 HydrophobicContact CE2-CE 4.4Å; Y224-M228 HydrophobicContact CE2-CG 3.15Å; Y224-M228 HydrophobicContact CE2-SD 3.67Å; Y224-M228 WeakPolarHBondContact O-CB 3.48Å; Y224-M228 VanDerWaalsContact O-CG 3.23Å; Y224-M228 WeakPolarHBondContact O-CG 3.34Å; Y224-M228 PolarHBondContact O-N 3.42Å
225	Q	98.5	Very high	98.2	Very high	67 Å²	67	67.7 Å²	67.7	31%	0.313	33%	0.327	S	S	.	.	H	α-helix	trans	-63.2	-45.2	178.8	-70.8	-178.6	-64.7	0	0	111.9	W21 K221 A222 R223 M228 I229	W21-Q225 HydrophobicContact CE3-CG 4.41Å; W21-Q225 HydrophobicContact CH2-CB 4.14Å; W21-Q225 HydrophobicContact CH2-CG 4.01Å; W21-Q225 HydrophobicContact CZ3-CB 4.17Å; W21-Q225 HydrophobicContact CZ3-CG 3.87Å; K221-Q225 HydrophobicContact CG-CG 4.5Å; K221-Q225 WeakPolarHBondContact O-CG 3.16Å; K221-Q225 PolarHBondContact O-N 2.91Å; A222-Q225 PolarHBondContact O-N 2.99Å; R223-Q225 VanDerWaalsContact C-N 3.33Å; R223-Q225 PolarHBondContact O-N 2.57Å; Q225-M228 PolarHBondContact O-N 3.26Å; Q225-I229 VanDerWaalsContact O-CB 3.31Å; Q225-I229 WeakPolarHBondContact O-CB 3.39Å; Q225-I229 WeakPolarHBondContact O-CD1 3.46Å; Q225-I229 WeakPolarHBondContact O-CG1 3.42Å; Q225-I229 PolarHBondContact O-N 2.95Å
226	E	98.5	Very high	98.2	Very high	111 Å²	111	67.3 Å²	67.3	52%	0.519	32%	0.321	S	S	.	.	H	α-helix	trans	-56.3	-52	176.3	-175.7	-173.3	-162	0	0	111.7	A222 R223 M228 I229 Q230	A222-E226 WeakPolarHBondContact O-CB 3.27Å; A222-E226 PolarHBondContact O-N 2.98Å; R223-E226 IonicContact CZ-OE2 2.79Å; R223-E226 IonicContact NH1-OE1 3.24Å; R223-E226 IonicContact NH1-OE2 3.81Å; R223-E226 PolarHBondContact NH1-OE2 2.99Å; R223-E226 PolarHBondContact O-N 3.17Å; E226-M228 PolarHBondContact O-N 2.88Å; E226-I229 PolarHBondContact O-N 3.03Å; E226-Q230 WeakPolarHBondContact O-CB 3.34Å; E226-Q230 PolarHBondContact O-N 3.39Å
227	D	98.5	Very high	98.2	Very high	31 Å²	31	70.8 Å²	70.8	17%	0.166	34%	0.336	C	S	.	.	H	α-helix	trans	-62.5	-44.9	-178.5	-73.3	-31.5	0	0	0	111.2	A143 R223 Y224 Q230 V231	A143-D227 HydrophobicContact CB-CB 3.76Å; R223-D227 IonicContact CZ-OD1 2.74Å; R223-D227 IonicContact CZ-OD2 3.71Å; R223-D227 VanDerWaalsContact NE-CG 3.35Å; R223-D227 IonicContact NE-OD1 3.53Å; R223-D227 PolarHBondContact NE-OD1 3.08Å; R223-D227 VanDerWaalsContact NE-OD1 3.13Å; R223-D227 IonicContact NE-OD2 2.68Å; R223-D227 PolarHBondContact NE-OD2 3.29Å; R223-D227 IonicContact NH1-OD1 3.71Å; R223-D227 IonicContact NH2-OD1 3.49Å; R223-D227 PolarHBondContact NH2-OD1 2.93Å; R223-D227 IonicContact NH2-OD2 3.55Å; R223-D227 WeakPolarHBondContact O-CB 3.31Å; R223-D227 PolarHBondContact O-N 3.08Å; Y224-D227 PolarHBondContact O-N 2.91Å; D227-Q230 PolarHBondContact O-N 3.47Å; D227-V231 WeakPolarHBondContact O-CG2 3.4Å; D227-V231 PolarHBondContact O-N 3.05Å; D227-V231 VanDerWaalsContact O-N 3.16Å
228	M	98.7	Very high	98.1	Very high	0 Å²	0	73.8 Å²	73.8	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-63.6	-43.5	177.3	-70.1	-67.1	-70.1	0	0	112.5	F20 W21 Y26 F140 A143 Q144 Y224 Q225 E226 Q230 V231 F232	F20-M228 HydrophobicContact CE1-CB 4.26Å; F20-M228 HydrophobicContact CE1-CE 4.09Å; F20-M228 HydrophobicContact CE2-CE 4.41Å; F20-M228 HydrophobicContact CZ-CB 4.43Å; F20-M228 HydrophobicContact CZ-CE 3.78Å; W21-M228 HydrophobicContact CZ3-CB 3.95Å; W21-M228 HydrophobicContact CZ3-CG 4.45Å; Y26-M228 HydrophobicContact CD1-CE 4Å; Y26-M228 HydrophobicContact CG-CE 4.27Å; F140-M228 HydrophobicContact CD1-CE 3.68Å; F140-M228 HydrophobicContact CD1-SD 3.86Å; F140-M228 HydrophobicContact CE1-CE 4.09Å; A143-M228 HydrophobicContact CB-CG 4.37Å; A143-M228 HydrophobicContact CB-SD 3.83Å; Q144-M228 HydrophobicContact CB-SD 4.17Å; Y224-M228 HydrophobicContact CD2-CG 3.67Å; Y224-M228 HydrophobicContact CD2-SD 4.46Å; Y224-M228 HydrophobicContact CE2-CE 4.4Å; Y224-M228 HydrophobicContact CE2-CG 3.15Å; Y224-M228 HydrophobicContact CE2-SD 3.67Å; Y224-M228 WeakPolarHBondContact O-CB 3.48Å; Y224-M228 VanDerWaalsContact O-CG 3.23Å; Y224-M228 WeakPolarHBondContact O-CG 3.34Å; Y224-M228 PolarHBondContact O-N 3.42Å; Q225-M228 PolarHBondContact O-N 3.26Å; E226-M228 PolarHBondContact O-N 2.88Å; M228-Q230 VanDerWaalsContact C-N 3.3Å; M228-Q230 PolarHBondContact O-N 3.42Å; M228-V231 PolarHBondContact O-N 3.33Å; M228-F232 WeakPolarHBondContact O-CB 3.48Å; M228-F232 PolarHBondContact O-N 3.33Å
229	I	98.7	Very high	98.2	Very high	70 Å²	70	69.8 Å²	69.8	36%	0.359	33%	0.326	S	S	.	.	H	α-helix	trans	-62.5	-40.3	177.5	-72.6	165.9	0	0	0	110.2	W21 Q225 E226 V231 F232 K233	W21-I229 HydrophobicContact CH2-CD1 4.1Å; W21-I229 HydrophobicContact CH2-CG1 3.92Å; Q225-I229 VanDerWaalsContact O-CB 3.31Å; Q225-I229 WeakPolarHBondContact O-CB 3.39Å; Q225-I229 WeakPolarHBondContact O-CD1 3.46Å; Q225-I229 WeakPolarHBondContact O-CG1 3.42Å; Q225-I229 PolarHBondContact O-N 2.95Å; E226-I229 PolarHBondContact O-N 3.03Å; I229-V231 PolarHBondContact O-N 2.94Å; I229-F232 PolarHBondContact O-N 2.95Å; I229-K233 HydrophobicContact CG2-CD 4.13Å; I229-K233 HydrophobicContact CG2-CG 4.29Å; I229-K233 WeakPolarHBondContact O-CB 3.49Å; I229-K233 WeakPolarHBondContact O-CG 3.42Å; I229-K233 PolarHBondContact O-N 2.68Å
230	Q	98.5	Very high	98.2	Very high	119 Å²	119	66.8 Å²	66.8	56%	0.556	31%	0.314	S	S	*	.	H	α-helix	trans	-61.7	-43.4	177.4	-169.2	-174.8	23.2	0	0	111.7	E226 D227 M228 R234	E226-Q230 WeakPolarHBondContact O-CB 3.34Å; E226-Q230 PolarHBondContact O-N 3.39Å; D227-Q230 PolarHBondContact O-N 3.47Å; M228-Q230 VanDerWaalsContact C-N 3.3Å; M228-Q230 PolarHBondContact O-N 3.42Å; Q230-R234 PolarHBondContact O-N 3.3Å
231	V	98.6	Very high	98.2	Very high	6 Å²	6	72.1 Å²	72.1	4%	0.036	34%	0.336	C	S	.	.	H	α-helix	trans	-65.4	-44.1	175.1	-174.1	0	0	0	0	111	V136 A139 F140 A143 D227 M228 I229 K233 R234 C235	V136-V231 HydrophobicContact CG1-CG1 4.16Å; A139-V231 HydrophobicContact CB-CG1 3.9Å; A139-V231 HydrophobicContact CB-CG2 3.94Å; F140-V231 HydrophobicContact CD1-CB 3.76Å; F140-V231 HydrophobicContact CD1-CG1 3.67Å; F140-V231 HydrophobicContact CD1-CG2 4.41Å; F140-V231 HydrophobicContact CD2-CG1 3.64Å; F140-V231 HydrophobicContact CE1-CB 3.6Å; F140-V231 HydrophobicContact CE1-CG1 3.64Å; F140-V231 HydrophobicContact CE2-CB 4.48Å; F140-V231 HydrophobicContact CE2-CG1 3.63Å; F140-V231 HydrophobicContact CG-CB 4.26Å; F140-V231 HydrophobicContact CG-CG1 3.67Å; F140-V231 HydrophobicContact CZ-CB 4Å; F140-V231 HydrophobicContact CZ-CG1 3.62Å; A143-V231 HydrophobicContact CB-CG2 4.32Å; D227-V231 WeakPolarHBondContact O-CG2 3.4Å; D227-V231 PolarHBondContact O-N 3.05Å; D227-V231 VanDerWaalsContact O-N 3.16Å; M228-V231 PolarHBondContact O-N 3.33Å; I229-V231 PolarHBondContact O-N 2.94Å; V231-K233 PolarHBondContact O-N 2.91Å; V231-R234 WeakPolarHBondContact O-CB 3.45Å; V231-R234 PolarHBondContact O-N 2.89Å; V231-C235 PolarHBondContact O-N 3.43Å; V231-C235 PolarHBondContact O-SG 3.43Å
232	F	98.6	Very high	98.2	Very high	68 Å²	68	68.7 Å²	68.7	30%	0.298	32%	0.321	S	S	.	.	H	α-helix	trans	-61.6	-41.8	178.8	-173.3	-100.8	0	0	0	112.6	F20 A29 F140 M228 I229 R234 C235 Q236	F20-F232 AromaticContact CE2-CD2 3.94Å; F20-F232 HydrophobicContact CE2-CD2 3.94Å; F20-F232 HydrophobicContact CZ-CB 4.28Å; F20-F232 HydrophobicContact CZ-CD2 4.25Å; F20-F232 HydrophobicContact CZ-CG 4.48Å; A29-F232 HydrophobicContact CB-CD2 4.01Å; A29-F232 HydrophobicContact CB-CE2 4.02Å; F140-F232 HydrophobicContact CE1-CB 4.38Å; F140-F232 HydrophobicContact CZ-CB 4.21Å; F140-F232 HydrophobicContact CZ-CD2 4.46Å; M228-F232 WeakPolarHBondContact O-CB 3.48Å; M228-F232 PolarHBondContact O-N 3.33Å; I229-F232 PolarHBondContact O-N 2.95Å; F232-R234 VanDerWaalsContact C-N 3.31Å; F232-R234 PolarHBondContact O-N 3.32Å; F232-C235 WeakPolarHBondContact O-CA 3.5Å; F232-C235 VanDerWaalsContact O-CB 3.22Å; F232-C235 WeakPolarHBondContact O-CB 3.29Å; F232-C235 PolarHBondContact O-N 2.74Å; F232-Q236 HydrophobicContact CD1-CG 4Å; F232-Q236 HydrophobicContact CE1-CG 3.7Å; F232-Q236 HydrophobicContact CZ-CG 4.25Å; F232-Q236 WeakPolarHBondContact O-CG 3.46Å; F232-Q236 PolarHBondContact O-N 3.03Å
233	K	98.5	Very high	98.3	Very high	128 Å²	128	69.5 Å²	69.5	56%	0.557	32%	0.315	S	S	*	.	H	α-helix	trans	-56.5	-42	174.3	-78.2	179.3	177.3	-178.6	0	112.3	I229 V231 C235 Q236 E237	I229-K233 HydrophobicContact CG2-CD 4.13Å; I229-K233 HydrophobicContact CG2-CG 4.29Å; I229-K233 WeakPolarHBondContact O-CB 3.49Å; I229-K233 WeakPolarHBondContact O-CG 3.42Å; I229-K233 PolarHBondContact O-N 2.68Å; V231-K233 PolarHBondContact O-N 2.91Å; K233-C235 VanDerWaalsContact C-N 3.29Å; K233-C235 PolarHBondContact O-N 3.43Å; K233-Q236 WeakPolarHBondContact O-CB 3.29Å; K233-Q236 PolarHBondContact O-N 3.4Å; K233-Q236 VanDerWaalsContact O-N 3.1Å; K233-E237 WeakPolarHBondContact O-CG 3.47Å; K233-E237 PolarHBondContact O-N 2.81Å
234	R	97.7	Very high	98.3	Very high	107 Å²	107	70.1 Å²	70.1	40%	0.404	32%	0.321	S	S	.	.	H	α-helix	trans	-63.3	-34	174.3	-65.6	-176.3	-61.9	164.4	5.8	112.7	Q230 V231 F232 K238	Q230-R234 PolarHBondContact O-N 3.3Å; V231-R234 WeakPolarHBondContact O-CB 3.45Å; V231-R234 PolarHBondContact O-N 2.89Å; F232-R234 VanDerWaalsContact C-N 3.31Å; F232-R234 PolarHBondContact O-N 3.32Å; R234-K238 WeakPolarHBondContact O-CG 3.46Å; R234-K238 PolarHBondContact O-N 3.09Å
235	C	98.1	Very high	98.3	Very high	1 Å²	1	70.6 Å²	70.6	1%	0.007	32%	0.323	C	S	.	.	H	α-helix	trans	-66.1	-40.8	172.6	-52	0	0	0	0	111.4	R32 V136 V231 F232 K233 K238 E239	R32-C235 PolarHBondContact NH2-O 3.39Å; V136-C235 WeakPolarHBondContact CG1-SG 3.33Å; V231-C235 PolarHBondContact O-N 3.43Å; V231-C235 PolarHBondContact O-SG 3.43Å; F232-C235 WeakPolarHBondContact O-CA 3.5Å; F232-C235 VanDerWaalsContact O-CB 3.22Å; F232-C235 WeakPolarHBondContact O-CB 3.29Å; F232-C235 PolarHBondContact O-N 2.74Å; K233-C235 VanDerWaalsContact C-N 3.29Å; K233-C235 PolarHBondContact O-N 3.43Å; C235-K238 PolarHBondContact O-N 3.4Å; C235-E239 PolarHBondContact O-N 3.03Å
236	Q	98.3	Very high	98.3	Very high	65 Å²	65	68.9 Å²	68.9	30%	0.304	31%	0.314	S	S	.	.	H	α-helix	trans	-64.2	-43.5	176	-64.7	-59.9	112.6	0	0	111.5	R32 F232 K233 K238 E239 I240	R32-Q236 VanDerWaalsContact CZ-OE1 3.23Å; F232-Q236 HydrophobicContact CD1-CG 4Å; F232-Q236 HydrophobicContact CE1-CG 3.7Å; F232-Q236 HydrophobicContact CZ-CG 4.25Å; F232-Q236 WeakPolarHBondContact O-CG 3.46Å; F232-Q236 PolarHBondContact O-N 3.03Å; K233-Q236 WeakPolarHBondContact O-CB 3.29Å; K233-Q236 PolarHBondContact O-N 3.4Å; K233-Q236 VanDerWaalsContact O-N 3.1Å; Q236-K238 VanDerWaalsContact C-N 3.35Å; Q236-K238 PolarHBondContact O-N 2.94Å; Q236-E239 PolarHBondContact O-N 2.95Å; Q236-I240 VanDerWaalsContact O-CG1 3.27Å; Q236-I240 WeakPolarHBondContact O-CG1 3.32Å; Q236-I240 PolarHBondContact O-N 3.46Å
237	E	97.6	Very high	98.3	Very high	114 Å²	114	70.2 Å²	70.2	53%	0.533	32%	0.318	S	S	.	.	H	α-helix	trans	-59.8	-43	177	-72.4	166.7	-170.8	0	0	112.4	K233 I240 K241	K233-E237 WeakPolarHBondContact O-CG 3.47Å; K233-E237 PolarHBondContact O-N 2.81Å; E237-I240 PolarHBondContact O-N 3.4Å; E237-K241 WeakPolarHBondContact O-CG 3.26Å; E237-K241 PolarHBondContact O-N 2.74Å
238	K	96.5	Very high	98.3	Very high	80 Å²	80	74 Å²	74	35%	0.348	34%	0.335	S	S	.	.	H	α-helix	trans	-61.9	-44.5	174.4	-73.3	177.2	179.8	-73.7	0	111.5	I33 R234 C235 Q236 K241 R242	I33-K238 HydrophobicContact CD1-CD 4.36Å; R234-K238 WeakPolarHBondContact O-CG 3.46Å; R234-K238 PolarHBondContact O-N 3.09Å; C235-K238 PolarHBondContact O-N 3.4Å; Q236-K238 VanDerWaalsContact C-N 3.35Å; Q236-K238 PolarHBondContact O-N 2.94Å; K238-K241 WeakPolarHBondContact O-CB 3.43Å; K238-K241 PolarHBondContact O-N 3.36Å; K238-R242 PolarHBondContact O-N 3.1Å
239	E	98.2	Very high	98.3	Very high	27 Å²	27	75 Å²	75	13%	0.126	34%	0.34	C	S	.	.	H	α-helix	trans	-67.1	-39.6	179.1	-177.8	59.7	-167.7	0	0	112.5	R32 C235 Q236 K241 R242 L243	R32-E239 VanDerWaalsContact NH2-CB 3.3Å; C235-E239 PolarHBondContact O-N 3.03Å; Q236-E239 PolarHBondContact O-N 2.95Å; E239-K241 VanDerWaalsContact C-N 3.25Å; E239-K241 PolarHBondContact O-N 3.34Å; E239-R242 WeakPolarHBondContact O-CB 3.31Å; E239-R242 PolarHBondContact O-N 3.41Å; E239-R242 VanDerWaalsContact O-N 3.11Å; E239-R242 IonicContact OE1-CZ 3.75Å; E239-R242 IonicContact OE1-NE 3.41Å; E239-R242 PolarHBondContact OE1-NE 3.42Å; E239-R242 IonicContact OE1-NH2 3.64Å; E239-R242 PolarHBondContact OE1-NH2 2.82Å; E239-R242 IonicContact OE2-NE 2.96Å; E239-R242 PolarHBondContact OE2-NE 3.48Å; E239-L243 HydrophobicContact CG-CD1 3.93Å; E239-L243 HydrophobicContact CG-CG 4.21Å; E239-L243 WeakPolarHBondContact O-CG 3.28Å; E239-L243 PolarHBondContact O-N 3.14Å
240	I	98.5	Very high	98.3	Very high	84 Å²	84	76.2 Å²	76.2	43%	0.431	35%	0.347	S	S	.	.	H	α-helix	trans	-57.7	-40.6	174.8	-72.5	165	0	0	0	110.8	Q236 E237 L243 K244	Q236-I240 VanDerWaalsContact O-CG1 3.27Å; Q236-I240 WeakPolarHBondContact O-CG1 3.32Å; Q236-I240 PolarHBondContact O-N 3.46Å; E237-I240 PolarHBondContact O-N 3.4Å; I240-L243 PolarHBondContact O-N 3.4Å; I240-K244 HydrophobicContact CG2-CD 4.23Å; I240-K244 WeakPolarHBondContact O-CB 3.37Å; I240-K244 WeakPolarHBondContact O-CG 3.3Å; I240-K244 PolarHBondContact O-N 3.24Å
241	K	98.2	Very high	98.3	Very high	150 Å²	150	75.9 Å²	75.9	65%	0.652	35%	0.345	S	S	*	.	H	α-helix	trans	-61.3	-46.6	175.4	-70	178	-178.9	-175.4	0	111.5	E237 K238 E239 K244 F245	E237-K241 WeakPolarHBondContact O-CG 3.26Å; E237-K241 PolarHBondContact O-N 2.74Å; K238-K241 WeakPolarHBondContact O-CB 3.43Å; K238-K241 PolarHBondContact O-N 3.36Å; E239-K241 VanDerWaalsContact C-N 3.25Å; E239-K241 PolarHBondContact O-N 3.34Å; K241-K244 PolarHBondContact O-N 3.39Å; K241-F245 WeakPolarHBondContact O-CB 3.42Å; K241-F245 PolarHBondContact O-N 3.45Å
242	R	98.5	Very high	98.3	Very high	19 Å²	19	76.7 Å²	76.7	7%	0.072	36%	0.355	C	S	.	.	H	α-helix	trans	-60.9	-45.5	177.1	-168.1	-161.4	69.4	77	-2.2	111.9	W117 K238 E239 F245 F246	W117-R242 HydrophobicContact CH2-CB 3.72Å; W117-R242 HydrophobicContact CH2-CG 3.7Å; W117-R242 HydrophobicContact CZ2-CB 4.47Å; W117-R242 HydrophobicContact CZ3-CG 4.02Å; K238-R242 PolarHBondContact O-N 3.1Å; E239-R242 WeakPolarHBondContact O-CB 3.31Å; E239-R242 PolarHBondContact O-N 3.41Å; E239-R242 VanDerWaalsContact O-N 3.11Å; E239-R242 IonicContact OE1-CZ 3.75Å; E239-R242 IonicContact OE1-NE 3.41Å; E239-R242 PolarHBondContact OE1-NE 3.42Å; E239-R242 IonicContact OE1-NH2 3.64Å; E239-R242 PolarHBondContact OE1-NH2 2.82Å; E239-R242 IonicContact OE2-NE 2.96Å; E239-R242 PolarHBondContact OE2-NE 3.48Å; R242-F245 PolarHBondContact O-N 2.96Å; R242-F246 HydrophobicContact CG-CD2 4.07Å; R242-F246 HydrophobicContact CG-CE2 3.99Å; R242-F246 VanDerWaalsContact NH1-CE1 3.32Å; R242-F246 VanDerWaalsContact NH1-CZ 3.3Å; R242-F246 VanDerWaalsContact O-CD2 3.31Å; R242-F246 WeakPolarHBondContact O-CD2 3.26Å; R242-F246 PolarHBondContact O-N 3.45Å
243	L	98.7	Very high	98.3	Very high	88 Å²	88	74.1 Å²	74.1	46%	0.461	35%	0.345	S	S	.	.	H	α-helix	trans	-64.2	-42	-179.7	-70.2	171.8	0	0	0	112.4	E239 I240 F246 K247	E239-L243 HydrophobicContact CG-CD1 3.93Å; E239-L243 HydrophobicContact CG-CG 4.21Å; E239-L243 WeakPolarHBondContact O-CG 3.28Å; E239-L243 PolarHBondContact O-N 3.14Å; I240-L243 PolarHBondContact O-N 3.4Å; L243-F246 PolarHBondContact O-N 2.91Å; L243-K247 PolarHBondContact O-N 3.48Å
244	K	98.7	Very high	98.3	Very high	135 Å²	135	73.8 Å²	73.8	59%	0.587	35%	0.345	S	S	*	.	H	α-helix	trans	-63.1	-45.9	174.2	-74.7	-178.3	177.3	-174.1	0	111.6	I240 K241 F246 K247 E248	I240-K244 HydrophobicContact CG2-CD 4.23Å; I240-K244 WeakPolarHBondContact O-CB 3.37Å; I240-K244 WeakPolarHBondContact O-CG 3.3Å; I240-K244 PolarHBondContact O-N 3.24Å; K241-K244 PolarHBondContact O-N 3.39Å; K244-F246 VanDerWaalsContact C-N 3.35Å; K244-F246 PolarHBondContact O-N 3.45Å; K244-K247 WeakPolarHBondContact O-CB 3.45Å; K244-K247 PolarHBondContact O-N 3.35Å; K244-E248 WeakPolarHBondContact O-CG 3.34Å; K244-E248 PolarHBondContact O-N 2.93Å
245	F	98.7	Very high	98.2	Very high	12 Å²	12	71 Å²	71	5%	0.053	35%	0.345	C	S	.	.	H	α-helix	trans	-58.4	-45.5	175.5	175.5	-106.8	0	0	0	112	V113 V114 W117 K241 R242 K247 E248 M249	V113-F245 HydrophobicContact CG1-CE2 4.08Å; V113-F245 HydrophobicContact CG1-CZ 4.25Å; V114-F245 HydrophobicContact CB-CE1 4.42Å; V114-F245 HydrophobicContact CB-CZ 4.45Å; V114-F245 HydrophobicContact CG1-CE1 4.47Å; V114-F245 HydrophobicContact CG2-CE1 4.05Å; V114-F245 HydrophobicContact CG2-CZ 4.06Å; W117-F245 HydrophobicContact CB-CD1 4.44Å; W117-F245 HydrophobicContact CB-CD2 4.32Å; W117-F245 HydrophobicContact CB-CE1 3.81Å; W117-F245 HydrophobicContact CB-CE2 3.66Å; W117-F245 HydrophobicContact CB-CZ 3.38Å; W117-F245 AromaticContact CD1-CD2 3.52Å; W117-F245 AromaticContact CD1-CE2 3.67Å; W117-F245 AromaticContact CD1-CG 3.86Å; W117-F245 HydrophobicContact CD2-CB 4.33Å; W117-F245 AromaticContact CD2-CD1 3.38Å; W117-F245 HydrophobicContact CD2-CD1 3.38Å; W117-F245 HydrophobicContact CD2-CD2 4.01Å; W117-F245 AromaticContact CD2-CE1 3.59Å; W117-F245 HydrophobicContact CD2-CE1 3.59Å; W117-F245 HydrophobicContact CD2-CE2 4.19Å; W117-F245 AromaticContact CD2-CG 3.61Å; W117-F245 HydrophobicContact CD2-CG 3.61Å; W117-F245 HydrophobicContact CD2-CZ 4Å; W117-F245 AromaticContact CE2-CD1 3.77Å; W117-F245 AromaticContact CE2-CG 3.58Å; W117-F245 AromaticContact CE3-CD1 3.46Å; W117-F245 HydrophobicContact CE3-CD1 3.46Å; W117-F245 VanDerWaalsContact CE3-CD1 3.46Å; W117-F245 AromaticContact CE3-CE1 3.6Å; W117-F245 HydrophobicContact CE3-CE1 3.6Å; W117-F245 HydrophobicContact CE3-CG 4.16Å; W117-F245 HydrophobicContact CE3-CZ 4.39Å; W117-F245 AromaticContact CG-CD1 3.82Å; W117-F245 HydrophobicContact CG-CD1 3.82Å; W117-F245 AromaticContact CG-CD2 3.69Å; W117-F245 HydrophobicContact CG-CD2 3.69Å; W117-F245 AromaticContact CG-CE1 3.68Å; W117-F245 HydrophobicContact CG-CE1 3.68Å; W117-F245 AromaticContact CG-CE2 3.54Å; W117-F245 HydrophobicContact CG-CE2 3.54Å; W117-F245 AromaticContact CG-CG 3.83Å; W117-F245 HydrophobicContact CG-CG 3.83Å; W117-F245 AromaticContact CG-CZ 3.55Å; W117-F245 HydrophobicContact CG-CZ 3.55Å; W117-F245 HydrophobicContact CH2-CD1 4.33Å; W117-F245 HydrophobicContact CZ2-CB 3.94Å; W117-F245 HydrophobicContact CZ2-CD1 4.24Å; W117-F245 HydrophobicContact CZ2-CG 4.14Å; W117-F245 AromaticContact CZ3-CD1 3.95Å; W117-F245 HydrophobicContact CZ3-CD1 3.95Å; W117-F245 HydrophobicContact CZ3-CE1 4.43Å; W117-F245 AromaticContact NE1-CD2 3.73Å; W117-F245 AromaticContact NE1-CG 3.69Å; K241-F245 WeakPolarHBondContact O-CB 3.42Å; K241-F245 PolarHBondContact O-N 3.45Å; R242-F245 PolarHBondContact O-N 2.96Å; F245-K247 VanDerWaalsContact C-N 3.31Å; F245-K247 PolarHBondContact O-N 2.98Å; F245-E248 PolarHBondContact O-N 2.95Å; F245-M249 HydrophobicContact CD1-CG 4.24Å; F245-M249 HydrophobicContact CD2-CG 4.24Å; F245-M249 HydrophobicContact CE1-CG 3.7Å; F245-M249 HydrophobicContact CE1-SD 4.48Å; F245-M249 HydrophobicContact CE2-CE 3.85Å; F245-M249 HydrophobicContact CE2-CG 3.72Å; F245-M249 HydrophobicContact CE2-SD 3.81Å; F245-M249 HydrophobicContact CG-CG 4.47Å; F245-M249 HydrophobicContact CZ-CE 4.31Å; F245-M249 HydrophobicContact CZ-CG 3.4Å; F245-M249 VanDerWaalsContact CZ-CG 3.4Å; F245-M249 HydrophobicContact CZ-SD 3.63Å; F245-M249 WeakPolarHBondContact O-CG 3.44Å; F245-M249 PolarHBondContact O-N 3.47Å
246	F	98.7	Very high	98.2	Very high	31 Å²	31	71 Å²	71	14%	0.136	35%	0.345	C	S	.	.	H	α-helix	trans	-59.2	-42.9	176	-93.3	-126.6	0	0	0	111.9	L39 L43 R242 L243 K244 E248 M249 L250	L39-F246 HydrophobicContact CB-CE1 4.23Å; L39-F246 HydrophobicContact CB-CZ 3.88Å; L43-F246 HydrophobicContact CB-CE1 4.3Å; L43-F246 HydrophobicContact CB-CZ 4.37Å; L43-F246 HydrophobicContact CD2-CD1 4.18Å; L43-F246 HydrophobicContact CD2-CE1 4.02Å; L43-F246 HydrophobicContact CD2-CE2 4.45Å; L43-F246 HydrophobicContact CD2-CG 4.46Å; L43-F246 HydrophobicContact CD2-CZ 4.16Å; R242-F246 HydrophobicContact CG-CD2 4.07Å; R242-F246 HydrophobicContact CG-CE2 3.99Å; R242-F246 VanDerWaalsContact NH1-CE1 3.32Å; R242-F246 VanDerWaalsContact NH1-CZ 3.3Å; R242-F246 VanDerWaalsContact O-CD2 3.31Å; R242-F246 WeakPolarHBondContact O-CD2 3.26Å; R242-F246 PolarHBondContact O-N 3.45Å; L243-F246 PolarHBondContact O-N 2.91Å; K244-F246 VanDerWaalsContact C-N 3.35Å; K244-F246 PolarHBondContact O-N 3.45Å; F246-E248 VanDerWaalsContact C-N 3.35Å; F246-E248 PolarHBondContact O-N 2.85Å; F246-M249 PolarHBondContact O-N 3.24Å; F246-L250 WeakPolarHBondContact O-CB 3.38Å; F246-L250 VanDerWaalsContact O-CG 3.27Å; F246-L250 WeakPolarHBondContact O-CG 3.46Å; F246-L250 PolarHBondContact O-N 3.4Å
247	K	98.8	Very high	98.2	Very high	139 Å²	139	70.1 Å²	70.1	60%	0.604	34%	0.342	S	S	*	.	H	α-helix	trans	-59.5	-45.8	176	-176.6	-178.9	177.7	-179.7	0	111.6	L243 K244 F245 L250 Q251	L243-K247 PolarHBondContact O-N 3.48Å; K244-K247 WeakPolarHBondContact O-CB 3.45Å; K244-K247 PolarHBondContact O-N 3.35Å; F245-K247 VanDerWaalsContact C-N 3.31Å; F245-K247 PolarHBondContact O-N 2.98Å; K247-L250 PolarHBondContact O-N 2.95Å; K247-Q251 WeakPolarHBondContact O-CG 3.43Å; K247-Q251 PolarHBondContact O-N 3.41Å
248	E	98.6	Very high	98.1	Very high	110 Å²	110	67.7 Å²	67.7	51%	0.514	33%	0.332	S	S	.	.	H	α-helix	trans	-61.5	-43.1	177.1	-70.6	168	-167.5	0	0	111.6	K244 F245 F246 Q251 G252	K244-E248 WeakPolarHBondContact O-CG 3.34Å; K244-E248 PolarHBondContact O-N 2.93Å; F245-E248 PolarHBondContact O-N 2.95Å; F246-E248 VanDerWaalsContact C-N 3.35Å; F246-E248 PolarHBondContact O-N 2.85Å; E248-Q251 WeakPolarHBondContact O-CB 3.44Å; E248-Q251 PolarHBondContact O-N 3.36Å; E248-G252 PolarHBondContact O-N 2.82Å
249	M	98.5	Very high	98.1	Very high	23 Å²	23	65.4 Å²	65.4	11%	0.113	32%	0.324	C	S	.	.	H	α-helix	trans	-64.5	-42.1	176.6	-66.1	-62.9	96.3	0	0	112.3	L43 V113 V114 F245 F246 Q251 G252 V253	L43-M249 HydrophobicContact CD2-CB 4.31Å; V113-M249 HydrophobicContact CB-SD 4.03Å; V113-M249 HydrophobicContact CG1-CE 3.8Å; V113-M249 HydrophobicContact CG1-SD 3.72Å; V114-M249 HydrophobicContact CG2-CB 4.3Å; V114-M249 HydrophobicContact CG2-CG 3.73Å; V114-M249 HydrophobicContact CG2-SD 3.85Å; F245-M249 HydrophobicContact CD1-CG 4.24Å; F245-M249 HydrophobicContact CD2-CG 4.24Å; F245-M249 HydrophobicContact CE1-CG 3.7Å; F245-M249 HydrophobicContact CE1-SD 4.48Å; F245-M249 HydrophobicContact CE2-CE 3.85Å; F245-M249 HydrophobicContact CE2-CG 3.72Å; F245-M249 HydrophobicContact CE2-SD 3.81Å; F245-M249 HydrophobicContact CG-CG 4.47Å; F245-M249 HydrophobicContact CZ-CE 4.31Å; F245-M249 HydrophobicContact CZ-CG 3.4Å; F245-M249 VanDerWaalsContact CZ-CG 3.4Å; F245-M249 HydrophobicContact CZ-SD 3.63Å; F245-M249 WeakPolarHBondContact O-CG 3.44Å; F245-M249 PolarHBondContact O-N 3.47Å; F246-M249 PolarHBondContact O-N 3.24Å; M249-Q251 VanDerWaalsContact C-N 3.3Å; M249-Q251 PolarHBondContact O-N 2.99Å; M249-G252 CarbonylContact O-C 3.57Å; M249-G252 WeakPolarHBondContact O-CA 3.46Å; M249-G252 PolarHBondContact O-N 3.26Å; M249-G252 VanDerWaalsContact O-N 3.08Å; M249-V253 WeakPolarHBondContact O-CG2 3.35Å; M249-V253 PolarHBondContact O-N 3.14Å
250	L	98.6	Very high	98	Very high	94 Å²	94	69.2 Å²	69.2	49%	0.492	35%	0.353	S	S	.	.	H	α-helix	trans	-65.1	-33.4	175.9	-68.7	172.4	0	0	0	112.3	L43 F246 K247 V253 H254	L43-L250 HydrophobicContact CD1-CD2 4.3Å; F246-L250 WeakPolarHBondContact O-CB 3.38Å; F246-L250 VanDerWaalsContact O-CG 3.27Å; F246-L250 WeakPolarHBondContact O-CG 3.46Å; F246-L250 PolarHBondContact O-N 3.4Å; K247-L250 PolarHBondContact O-N 2.95Å; L250-V253 PolarHBondContact O-N 3.31Å; L250-H254 PolarHBondContact O-N 2.9Å
251	Q	98.4	Very high	97.5	Very high	113 Å²	113	68.8 Å²	68.8	53%	0.528	36%	0.363	S	S	.	.	H	α-helix	trans	-66.4	-39.6	169.6	-70.9	174	-45.7	0	0	111.7	K247 E248 M249 H254 A255	K247-Q251 WeakPolarHBondContact O-CG 3.43Å; K247-Q251 PolarHBondContact O-N 3.41Å; E248-Q251 WeakPolarHBondContact O-CB 3.44Å; E248-Q251 PolarHBondContact O-N 3.36Å; M249-Q251 VanDerWaalsContact C-N 3.3Å; M249-Q251 PolarHBondContact O-N 2.99Å; Q251-H254 WeakPolarHBondContact O-CB 3.48Å; Q251-H254 PolarHBondContact O-N 3.25Å; Q251-A255 PolarHBondContact O-N 3.18Å
252	G	97.6	Very high	97.2	Very high	22 Å²	22	64.4 Å²	64.4	23%	0.227	35%	0.345	C	S	.	.	H	α-helix	trans	-60.3	-44.4	172.5	0	0	0	0	0	112.4	E248 M249 H254 A255 C256	E248-G252 PolarHBondContact O-N 2.82Å; M249-G252 CarbonylContact O-C 3.57Å; M249-G252 WeakPolarHBondContact O-CA 3.46Å; M249-G252 PolarHBondContact O-N 3.26Å; M249-G252 VanDerWaalsContact O-N 3.08Å; G252-H254 PolarHBondContact O-N 3.05Å; G252-A255 PolarHBondContact O-N 3.2Å; G252-C256 PolarHBondContact O-N 3.45Å; G252-C256 PolarHBondContact O-SG 2.93Å
253	V	98.3	Very high	97	Very high	15 Å²	15	68.6 Å²	68.6	9%	0.091	37%	0.372	C	S	.	.	H	α-helix	trans	-57.6	-49.5	173.9	173.9	0	0	0	0	110.6	M47 L106 V110 M249 L250 A255 C256 L257	M47-V253 HydrophobicContact CG-CG2 4.13Å; M47-V253 HydrophobicContact SD-CB 4.16Å; M47-V253 HydrophobicContact SD-CG1 3.68Å; M47-V253 HydrophobicContact SD-CG2 3.3Å; M47-V253 WeakPolarHBondContact SD-CG2 3.48Å; L106-V253 HydrophobicContact CD2-CG1 4.26Å; L106-V253 HydrophobicContact CD2-CG2 4.49Å; V110-V253 HydrophobicContact CB-CG2 4.36Å; V110-V253 HydrophobicContact CG1-CG2 3.73Å; V110-V253 HydrophobicContact CG2-CG2 3.88Å; M249-V253 WeakPolarHBondContact O-CG2 3.35Å; M249-V253 PolarHBondContact O-N 3.14Å; L250-V253 PolarHBondContact O-N 3.31Å; V253-A255 VanDerWaalsContact C-N 3.31Å; V253-A255 PolarHBondContact O-N 3.37Å; V253-C256 WeakPolarHBondContact O-CB 3.45Å; V253-C256 PolarHBondContact O-N 3.5Å; V253-C256 VanDerWaalsContact O-N 3.1Å; V253-L257 HydrophobicContact CG1-CD1 3.72Å; V253-L257 HydrophobicContact CG1-CG 4.28Å; V253-L257 VanDerWaalsContact O-CG 3.28Å; V253-L257 WeakPolarHBondContact O-CG 3.36Å; V253-L257 PolarHBondContact O-N 3.43Å
254	H	98	Very high	96.8	Very high	121 Å²	121	70.7 Å²	70.7	56%	0.56	38%	0.377	S	S	*	.	H	α-helix	trans	-53.9	-48.4	175.1	174.7	-72.7	0	0	0	111.6	L250 Q251 G252 C256 L257 D258	L250-H254 PolarHBondContact O-N 2.9Å; Q251-H254 WeakPolarHBondContact O-CB 3.48Å; Q251-H254 PolarHBondContact O-N 3.25Å; G252-H254 PolarHBondContact O-N 3.05Å; H254-C256 VanDerWaalsContact C-N 3.27Å; H254-C256 PolarHBondContact O-N 2.92Å; H254-L257 PolarHBondContact O-N 3.16Å; H254-D258 IonicContact CE1-OD2 2.72Å; H254-D258 WeakPolarHBondContact O-CB 3.44Å; H254-D258 PolarHBondContact O-N 2.83Å
255	A	97	Very high	96.6	Very high	49 Å²	49	66.1 Å²	66.1	41%	0.405	36%	0.359	S	S	.	.	H	α-helix	trans	-66.7	-23.9	179.6	0	0	0	0	0	114.1	R105 Q251 G252 V253	R105-A255 PolarHBondContact NH1-O 3.12Å; R105-A255 PolarHBondContact NH2-O 2.97Å; Q251-A255 PolarHBondContact O-N 3.18Å; G252-A255 PolarHBondContact O-N 3.2Å; V253-A255 VanDerWaalsContact C-N 3.31Å; V253-A255 PolarHBondContact O-N 3.37Å
256	C	97.4	Very high	96.5	Very high	1 Å²	1	72.6 Å²	72.6	1%	0.007	39%	0.387	C	S	.	.	H	α-helix	trans	-74.1	-39.5	171.9	-65.3	0	0	0	0	111.5	V102 R105 L106 G252 V253 H254	V102-C256 WeakPolarHBondContact CG2-O 3.45Å; R105-C256 HydrophobicContact CB-CB 4.3Å; L106-C256 HydrophobicContact CD2-CB 3.86Å; L106-C256 HydrophobicContact CG-CB 4.11Å; G252-C256 PolarHBondContact O-N 3.45Å; G252-C256 PolarHBondContact O-SG 2.93Å; V253-C256 WeakPolarHBondContact O-CB 3.45Å; V253-C256 PolarHBondContact O-N 3.5Å; V253-C256 VanDerWaalsContact O-N 3.1Å; H254-C256 VanDerWaalsContact C-N 3.27Å; H254-C256 PolarHBondContact O-N 2.92Å
257	L	97.6	Very high	96.4	Very high	45 Å²	45	74.4 Å²	74.4	24%	0.236	40%	0.401	C	S	.	.	H	α-helix	trans	-87.2	-26.5	-170.7	-64	179.5	0	0	0	114.3	R50 V102 L106 V253 H254 L259	R50-L257 HydrophobicContact CG-CD2 4.46Å; R50-L257 VanDerWaalsContact NH1-CD1 3.26Å; R50-L257 VanDerWaalsContact NH2-CD2 3.25Å; V102-L257 HydrophobicContact CG1-CD2 3.71Å; L106-L257 HydrophobicContact CD1-CD2 3.95Å; L106-L257 HydrophobicContact CD2-CD2 4.33Å; L106-L257 HydrophobicContact CG-CD2 4.47Å; V253-L257 HydrophobicContact CG1-CD1 3.72Å; V253-L257 HydrophobicContact CG1-CG 4.28Å; V253-L257 VanDerWaalsContact O-CG 3.28Å; V253-L257 WeakPolarHBondContact O-CG 3.36Å; V253-L257 PolarHBondContact O-N 3.43Å; H254-L257 PolarHBondContact O-N 3.16Å; L257-L259 PolarHBondContact O-N 3.21Å
258	D	97.2	Very high	96.3	Very high	63 Å²	63	68.8 Å²	68.8	34%	0.337	38%	0.377	S	S	.	.			trans	-75.5	87.7	-176.4	-176.1	10.5	0	0	0	112.1	H254 S260	H254-D258 IonicContact CE1-OD2 2.72Å; H254-D258 WeakPolarHBondContact O-CB 3.44Å; H254-D258 PolarHBondContact O-N 2.83Å; D258-S260 PolarHBondContact O-N 3.41Å; D258-S260 VanDerWaalsContact OD1-CB 3.26Å; D258-S260 WeakPolarHBondContact OD1-CB 3.46Å; D258-S260 PolarHBondContact OD1-N 3.19Å; D258-S260 PolarHBondContact OD1-OG 3.17Å
259	L	96.4	Very high	96.2	Very high	33 Å²	33	68.3 Å²	68.3	17%	0.173	37%	0.372	C	S	.	.	G	3₁₀ helix	trans	-77	-6.1	173.4	-64.2	179.4	0	0	0	113.4	V102 L257 A261 E262 L265	V102-L259 HydrophobicContact CG2-CD1 4.39Å; V102-L259 HydrophobicContact CG2-CD2 3.75Å; V102-L259 HydrophobicContact CG2-CG 4.26Å; L257-L259 PolarHBondContact O-N 3.21Å; L259-A261 VanDerWaalsContact C-N 3.27Å; L259-A261 PolarHBondContact O-N 2.85Å; L259-E262 WeakPolarHBondContact O-CB 3.36Å; L259-E262 PolarHBondContact O-N 3.48Å; L259-E262 VanDerWaalsContact O-N 3.14Å; L259-L265 HydrophobicContact CB-CD2 4.18Å; L259-L265 WeakPolarHBondContact O-CD2 3.1Å
260	S	94.8	Very high	96.2	Very high	106 Å²	106	71.5 Å²	71.5	74%	0.741	39%	0.389	S	S	*	.	G	3₁₀ helix	trans	-70	-27.3	-178.5	76.6	0	0	0	0	112.6	D258	D258-S260 PolarHBondContact O-N 3.41Å; D258-S260 VanDerWaalsContact OD1-CB 3.26Å; D258-S260 WeakPolarHBondContact OD1-CB 3.46Å; D258-S260 PolarHBondContact OD1-N 3.19Å; D258-S260 PolarHBondContact OD1-OG 3.17Å
261	A	89.3	Confident	96.1	Very high	76 Å²	76	71.7 Å²	71.7	63%	0.628	39%	0.391	S	S	*	.	G	3₁₀ helix	trans	-84.3	-8.1	173.9	0	0	0	0	0	113.4	L259 T263	L259-A261 VanDerWaalsContact C-N 3.27Å; L259-A261 PolarHBondContact O-N 2.85Å; A261-T263 PolarHBondContact O-N 3.36Å
262	E	91.9	Very high	96.1	Very high	58 Å²	58	68.8 Å²	68.8	27%	0.271	38%	0.378	S	S	.	.			trans	-77.3	109.2	-176.5	178.9	51.2	-100.2	0	0	111.3	L98 L259 K264 L265	L98-E262 HydrophobicContact CD2-CG 4.02Å; L259-E262 WeakPolarHBondContact O-CB 3.36Å; L259-E262 PolarHBondContact O-N 3.48Å; L259-E262 VanDerWaalsContact O-N 3.14Å; E262-K264 HydrophobicContact CG-CB 4Å; E262-K264 PolarHBondContact O-N 3.47Å; E262-K264 WeakPolarHBondContact OE1-CB 3.5Å; E262-K264 WeakPolarHBondContact OE1-CG 3.41Å; E262-K264 PolarHBondContact OE1-N 3.4Å; E262-L265 HydrophobicContact CB-CB 4.41Å; E262-L265 HydrophobicContact CG-CB 4.5Å; E262-L265 WeakPolarHBondContact O-CB 3.42Å; E262-L265 PolarHBondContact O-N 2.91Å
263	T	93.7	Very high	96.1	Very high	106 Å²	106	75 Å²	75	65%	0.65	39%	0.394	S	S	*	.	H	α-helix	trans	-57.3	-33.6	178.7	60.6	0	0	0	0	113.3	A261 L265 K266 T267	A261-T263 PolarHBondContact O-N 3.36Å; T263-L265 VanDerWaalsContact C-N 3.28Å; T263-L265 PolarHBondContact O-N 3.16Å; T263-K266 PolarHBondContact O-N 2.94Å; T263-T267 PolarHBondContact O-N 3.05Å; T263-T267 VanDerWaalsContact O-N 3.1Å; T263-T267 PolarHBondContact O-OG1 3.05Å; T263-T267 VanDerWaalsContact O-OG1 3.11Å
264	K	94.5	Very high	96.1	Very high	132 Å²	132	77.1 Å²	77.1	57%	0.574	41%	0.414	S	S	*	.	H	α-helix	trans	-61.7	-37.1	176.8	-69.9	177.1	-178.6	174.2	0	111.8	L98 E262 K266 T267 I268	L98-K264 HydrophobicContact CD2-CB 4.12Å; L98-K264 HydrophobicContact CD2-CD 4.19Å; E262-K264 HydrophobicContact CG-CB 4Å; E262-K264 PolarHBondContact O-N 3.47Å; E262-K264 WeakPolarHBondContact OE1-CB 3.5Å; E262-K264 WeakPolarHBondContact OE1-CG 3.41Å; E262-K264 PolarHBondContact OE1-N 3.4Å; K264-K266 VanDerWaalsContact C-N 3.34Å; K264-K266 PolarHBondContact O-N 3.17Å; K264-T267 PolarHBondContact O-N 3.43Å; K264-I268 VanDerWaalsContact O-CG1 3.27Å; K264-I268 WeakPolarHBondContact O-CG1 3.23Å; K264-I268 PolarHBondContact O-N 2.92Å
265	L	95.3	Very high	96.1	Very high	39 Å²	39	73.6 Å²	73.6	20%	0.204	40%	0.4	C	S	.	.	H	α-helix	trans	-59.7	-46.7	178.8	-174.4	64.1	0	0	0	110.8	L98 L259 E262 T263 T267 I268 Y269	L98-L265 HydrophobicContact CD1-CB 4.14Å; L98-L265 HydrophobicContact CD1-CD1 3.98Å; L259-L265 HydrophobicContact CB-CD2 4.18Å; L259-L265 WeakPolarHBondContact O-CD2 3.1Å; E262-L265 HydrophobicContact CB-CB 4.41Å; E262-L265 HydrophobicContact CG-CB 4.5Å; E262-L265 WeakPolarHBondContact O-CB 3.42Å; E262-L265 PolarHBondContact O-N 2.91Å; T263-L265 VanDerWaalsContact C-N 3.28Å; T263-L265 PolarHBondContact O-N 3.16Å; L265-T267 PolarHBondContact O-N 2.92Å; L265-I268 PolarHBondContact O-N 2.97Å; L265-Y269 HydrophobicContact CD1-CD2 4.43Å; L265-Y269 HydrophobicContact CD1-CE2 3.63Å; L265-Y269 HydrophobicContact CG-CD2 4.47Å; L265-Y269 HydrophobicContact CG-CE2 3.98Å; L265-Y269 WeakPolarHBondContact O-CD2 3.48Å
266	K	95.3	Very high	96.2	Very high	148 Å²	148	74.2 Å²	74.2	64%	0.643	40%	0.396	S	S	*	.	H	α-helix	trans	-62.1	-42.7	175.6	-173.8	178.1	-179.8	179.7	0	111.9	T263 K264 I268 Y269 N270	T263-K266 PolarHBondContact O-N 2.94Å; K264-K266 VanDerWaalsContact C-N 3.34Å; K264-K266 PolarHBondContact O-N 3.17Å; K266-I268 VanDerWaalsContact C-N 3.33Å; K266-I268 PolarHBondContact O-N 3.39Å; K266-Y269 PolarHBondContact O-N 3.31Å; K266-N270 WeakPolarHBondContact O-CB 3.43Å; K266-N270 VanDerWaalsContact O-CG 3.29Å; K266-N270 PolarHBondContact O-N 3.42Å
267	T	96.6	Very high	96.2	Very high	69 Å²	69	78.9 Å²	78.9	42%	0.423	42%	0.421	S	S	.	.	H	α-helix	trans	-62.6	-38.5	179.2	-60	0	0	0	0	112.3	T263 K264 L265 Y269 N270 N271	T263-T267 PolarHBondContact O-N 3.05Å; T263-T267 VanDerWaalsContact O-N 3.1Å; T263-T267 PolarHBondContact O-OG1 3.05Å; T263-T267 VanDerWaalsContact O-OG1 3.11Å; K264-T267 PolarHBondContact O-N 3.43Å; L265-T267 PolarHBondContact O-N 2.92Å; T267-Y269 PolarHBondContact O-N 3.11Å; T267-N270 PolarHBondContact O-N 3.37Å; T267-N271 WeakPolarHBondContact O-CB 3.38Å; T267-N271 PolarHBondContact O-N 2.98Å
268	I	97.4	Very high	96.2	Very high	21 Å²	21	80.4 Å²	80.4	11%	0.108	44%	0.435	C	S	.	.	H	α-helix	trans	-56.2	-52.8	176.9	-70.8	163.7	0	0	0	110.6	E91 L98 K264 L265 K266 N271 M272	E91-I268 HydrophobicContact CB-CG2 4.12Å; E91-I268 HydrophobicContact CG-CG2 3.69Å; L98-I268 HydrophobicContact CD1-CD1 3.65Å; L98-I268 HydrophobicContact CG-CD1 4.35Å; K264-I268 VanDerWaalsContact O-CG1 3.27Å; K264-I268 WeakPolarHBondContact O-CG1 3.23Å; K264-I268 PolarHBondContact O-N 2.92Å; L265-I268 PolarHBondContact O-N 2.97Å; K266-I268 VanDerWaalsContact C-N 3.33Å; K266-I268 PolarHBondContact O-N 3.39Å; I268-N271 PolarHBondContact O-N 3.1Å; I268-M272 WeakPolarHBondContact O-CB 3.43Å; I268-M272 PolarHBondContact O-N 3.42Å
269	Y	97.3	Very high	96.2	Very high	101 Å²	101	79.5 Å²	79.5	40%	0.396	44%	0.437	S	S	.	.	H	α-helix	trans	-70	-36	-178.1	-65.5	-70.5	0	0	0	112.9	E91 L265 K266 T267 M272 R273	E91-Y269 HydrophobicContact CG-CD1 4.42Å; E91-Y269 HydrophobicContact CG-CE1 4.07Å; E91-Y269 PolarHBondContact OE1-OH 3.05Å; L265-Y269 HydrophobicContact CD1-CD2 4.43Å; L265-Y269 HydrophobicContact CD1-CE2 3.63Å; L265-Y269 HydrophobicContact CG-CD2 4.47Å; L265-Y269 HydrophobicContact CG-CE2 3.98Å; L265-Y269 WeakPolarHBondContact O-CD2 3.48Å; K266-Y269 PolarHBondContact O-N 3.31Å; T267-Y269 PolarHBondContact O-N 3.11Å; Y269-M272 PolarHBondContact O-N 2.97Å; Y269-R273 WeakPolarHBondContact O-CB 3.44Å; Y269-R273 PolarHBondContact O-N 3.22Å
270	N	97.5	Very high	96.3	Very high	90 Å²	90	80 Å²	80	48%	0.481	44%	0.44	S	S	.	.	H	α-helix	trans	-62.6	-43.7	174.3	-73.8	-13.2	0	0	0	111.8	K266 T267 R273 A274	K266-N270 WeakPolarHBondContact O-CB 3.43Å; K266-N270 VanDerWaalsContact O-CG 3.29Å; K266-N270 PolarHBondContact O-N 3.42Å; T267-N270 PolarHBondContact O-N 3.37Å; N270-R273 PolarHBondContact O-N 3.49Å; N270-A274 WeakPolarHBondContact O-CB 3.47Å; N270-A274 PolarHBondContact O-N 2.66Å
271	N	97.1	Very high	96.5	Very high	97 Å²	97	78.5 Å²	78.5	52%	0.519	43%	0.434	S	S	.	.	H	α-helix	trans	-66.4	-45.4	178.1	-71.7	-8.9	0	0	0	111.2	T267 I268 R273 A274 V275	T267-N271 WeakPolarHBondContact O-CB 3.38Å; T267-N271 PolarHBondContact O-N 2.98Å; I268-N271 PolarHBondContact O-N 3.1Å; N271-R273 VanDerWaalsContact C-N 3.27Å; N271-R273 PolarHBondContact O-N 3.48Å; N271-A274 PolarHBondContact O-N 3.39Å; N271-V275 VanDerWaalsContact O-CG2 3.32Å; N271-V275 WeakPolarHBondContact O-CG2 3.38Å; N271-V275 PolarHBondContact O-N 3.48Å
272	M	97.8	Very high	96.9	Very high	52 Å²	52	82.3 Å²	82.3	26%	0.256	44%	0.438	S	S	.	.	H	α-helix	trans	-55.5	-45.8	174.7	179.2	-175.9	144.8	0	0	110.6	L88 E91 I268 Y269 V275 I276	L88-M272 HydrophobicContact CD1-CE 4.49Å; L88-M272 HydrophobicContact CG-CE 4.37Å; E91-M272 HydrophobicContact CB-SD 3.84Å; E91-M272 HydrophobicContact CG-SD 3.89Å; I268-M272 WeakPolarHBondContact O-CB 3.43Å; I268-M272 PolarHBondContact O-N 3.42Å; Y269-M272 PolarHBondContact O-N 2.97Å; M272-V275 PolarHBondContact O-N 2.92Å; M272-I276 HydrophobicContact CE-CD1 3.88Å; M272-I276 HydrophobicContact CG-CD1 3.95Å; M272-I276 VanDerWaalsContact O-CG1 3.3Å; M272-I276 WeakPolarHBondContact O-CG1 3.39Å; M272-I276 PolarHBondContact O-N 3.4Å
273	R	98.2	Very high	97.1	Very high	153 Å²	153	86 Å²	86	58%	0.577	45%	0.454	S	S	*	.	H	α-helix	trans	-62.9	-46.4	177.8	-177.7	59.4	-173.1	-138.7	12.8	112.5	Y269 N270 N271 V275 I276 D277	Y269-R273 WeakPolarHBondContact O-CB 3.44Å; Y269-R273 PolarHBondContact O-N 3.22Å; N270-R273 PolarHBondContact O-N 3.49Å; N271-R273 VanDerWaalsContact C-N 3.27Å; N271-R273 PolarHBondContact O-N 3.48Å; R273-V275 VanDerWaalsContact C-N 3.31Å; R273-V275 PolarHBondContact O-N 2.89Å; R273-I276 PolarHBondContact O-N 3.44Å; R273-D277 WeakPolarHBondContact CG-OD2 3.45Å; R273-D277 IonicContact CZ-OD1 3.71Å; R273-D277 IonicContact CZ-OD2 3.28Å; R273-D277 VanDerWaalsContact NE-CG 3.32Å; R273-D277 IonicContact NE-OD1 3.7Å; R273-D277 PolarHBondContact NE-OD1 3.11Å; R273-D277 IonicContact NE-OD2 2.95Å; R273-D277 PolarHBondContact NE-OD2 3.24Å; R273-D277 IonicContact NH2-OD1 3.69Å; R273-D277 PolarHBondContact NH2-OD1 3.31Å; R273-D277 VanDerWaalsContact NH2-OD1 3.16Å; R273-D277 IonicContact NH2-OD2 2.87Å; R273-D277 WeakPolarHBondContact O-CB 3.34Å; R273-D277 PolarHBondContact O-N 3.37Å
274	A	98.2	Very high	97.3	Very high	60 Å²	60	82.7 Å²	82.7	50%	0.496	43%	0.432	S	S	.	.	H	α-helix	trans	-61.4	-38.5	178.8	0	0	0	0	0	112.5	N270 N271 S278	N270-A274 WeakPolarHBondContact O-CB 3.47Å; N270-A274 PolarHBondContact O-N 2.66Å; N271-A274 PolarHBondContact O-N 3.39Å; A274-S278 WeakPolarHBondContact O-CB 3.4Å; A274-S278 PolarHBondContact O-N 3.02Å; A274-S278 VanDerWaalsContact O-N 3.07Å
275	V	98.2	Very high	97.5	Very high	46 Å²	46	81 Å²	81	28%	0.279	43%	0.432	S	S	.	.	H	α-helix	trans	-65.8	-44.3	175.7	174.2	0	0	0	0	110.9	V83 N271 M272 R273 S278	V83-V275 HydrophobicContact CG1-CG1 3.81Å; N271-V275 VanDerWaalsContact O-CG2 3.32Å; N271-V275 WeakPolarHBondContact O-CG2 3.38Å; N271-V275 PolarHBondContact O-N 3.48Å; M272-V275 PolarHBondContact O-N 2.92Å; R273-V275 VanDerWaalsContact C-N 3.31Å; R273-V275 PolarHBondContact O-N 2.89Å; V275-S278 PolarHBondContact O-N 3.18Å; V275-S278 PolarHBondContact O-OG 3.02Å
276	I	98.2	Very high	97.5	Very high	63 Å²	63	82.9 Å²	82.9	32%	0.323	44%	0.443	S	S	.	.	H	α-helix	trans	-63.2	-46.2	176.8	-67.4	165.4	0	0	0	111.2	A84 M272 R273 S278 A279	A84-I276 HydrophobicContact CB-CG1 4.45Å; M272-I276 HydrophobicContact CE-CD1 3.88Å; M272-I276 HydrophobicContact CG-CD1 3.95Å; M272-I276 VanDerWaalsContact O-CG1 3.3Å; M272-I276 WeakPolarHBondContact O-CG1 3.39Å; M272-I276 PolarHBondContact O-N 3.4Å; R273-I276 PolarHBondContact O-N 3.44Å; I276-S278 PolarHBondContact O-N 3.45Å; I276-A279 VanDerWaalsContact O-CB 3.29Å; I276-A279 WeakPolarHBondContact O-CB 3.25Å; I276-A279 PolarHBondContact O-N 3.2Å; I276-A279 VanDerWaalsContact O-N 3.11Å
277	D	98.1	Very high	97.6	Very high	99 Å²	99	81.4 Å²	81.4	53%	0.529	43%	0.433	S	S	.	.	H	α-helix	trans	-66.8	-17.6	179	-68.7	-27.2	0	0	0	112.2	R273 A279	R273-D277 WeakPolarHBondContact CG-OD2 3.45Å; R273-D277 IonicContact CZ-OD1 3.71Å; R273-D277 IonicContact CZ-OD2 3.28Å; R273-D277 VanDerWaalsContact NE-CG 3.32Å; R273-D277 IonicContact NE-OD1 3.7Å; R273-D277 PolarHBondContact NE-OD1 3.11Å; R273-D277 IonicContact NE-OD2 2.95Å; R273-D277 PolarHBondContact NE-OD2 3.24Å; R273-D277 IonicContact NH2-OD1 3.69Å; R273-D277 PolarHBondContact NH2-OD1 3.31Å; R273-D277 VanDerWaalsContact NH2-OD1 3.16Å; R273-D277 IonicContact NH2-OD2 2.87Å; R273-D277 WeakPolarHBondContact O-CB 3.34Å; R273-D277 PolarHBondContact O-N 3.37Å; D277-A279 VanDerWaalsContact C-N 3.34Å
278	S	97.7	Very high	97.6	Very high	76 Å²	76	84.5 Å²	84.5	53%	0.531	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-5.5	174.9	77	0	0	0	0	114.5	A274 V275 I276 D280	A274-S278 WeakPolarHBondContact O-CB 3.4Å; A274-S278 PolarHBondContact O-N 3.02Å; A274-S278 VanDerWaalsContact O-N 3.07Å; V275-S278 PolarHBondContact O-N 3.18Å; V275-S278 PolarHBondContact O-OG 3.02Å; I276-S278 PolarHBondContact O-N 3.45Å; S278-D280 PolarHBondContact O-N 3.24Å
279	A	98	Very high	97.6	Very high	45 Å²	45	87.8 Å²	87.8	37%	0.372	45%	0.452	S	S	.	.			trans	-64.2	128.4	174.8	0	0	0	0	0	110.6	S80 A84 I276 D277	S80-A279 WeakPolarHBondContact OG-CA 3.18Å; A84-A279 HydrophobicContact CB-CB 4.07Å; I276-A279 VanDerWaalsContact O-CB 3.29Å; I276-A279 WeakPolarHBondContact O-CB 3.25Å; I276-A279 PolarHBondContact O-N 3.2Å; I276-A279 VanDerWaalsContact O-N 3.11Å; D277-A279 VanDerWaalsContact C-N 3.34Å
280	D	98.3	Very high	97.5	Very high	43 Å²	43	89 Å²	89	23%	0.23	46%	0.459	C	S	.	.			trans	-131.6	98.6	-170.6	-171.8	-29.4	0	0	0	109.7	S80 S278 E282 K283 D284	S80-D280 PolarHBondContact OG-N 3.16Å; S278-D280 PolarHBondContact O-N 3.24Å; D280-E282 VanDerWaalsContact C-N 3.3Å; D280-E282 PolarHBondContact O-N 2.95Å; D280-E282 PolarHBondContact OD1-N 2.61Å; D280-E282 VanDerWaalsContact OD1-N 3.17Å; D280-K283 HydrophobicContact CB-CB 4.08Å; D280-K283 HydrophobicContact CB-CD 4.23Å; D280-K283 HydrophobicContact CB-CG 4.27Å; D280-K283 PolarHBondContact O-N 3.31Å; D280-K283 PolarHBondContact OD1-N 3.15Å; D280-K283 VanDerWaalsContact OD2-CD 3.29Å; D280-K283 WeakPolarHBondContact OD2-CD 3.33Å; D280-K283 VanDerWaalsContact OD2-CE 3.29Å; D280-K283 WeakPolarHBondContact OD2-CE 3.28Å; D280-K283 WeakPolarHBondContact OD2-CG 3.32Å; D280-K283 IonicContact OD2-NZ 3.4Å; D280-K283 PolarHBondContact OD2-NZ 3.47Å; D280-D284 PolarHBondContact O-N 3.15Å
281	A	97.8	Very high	97.4	Very high	75 Å²	75	89.2 Å²	89.2	62%	0.62	46%	0.457	S	S	*	.	H	α-helix	trans	-64	-34.3	-177.2	0	0	0	0	0	112.6	D284 V285	A281-D284 PolarHBondContact O-N 3.24Å; A281-V285 WeakPolarHBondContact O-CB 3.43Å; A281-V285 VanDerWaalsContact O-CG2 3.28Å; A281-V285 WeakPolarHBondContact O-CG2 3.32Å; A281-V285 PolarHBondContact O-N 3.4Å
282	E	97.7	Very high	97.3	Very high	155 Å²	155	90.2 Å²	90.2	72%	0.724	46%	0.459	S	S	*	.	H	α-helix	trans	-68.1	-46.7	179.7	-66.2	-178	178.7	0	0	110	D280 D284 V285 D286	D280-E282 VanDerWaalsContact C-N 3.3Å; D280-E282 PolarHBondContact O-N 2.95Å; D280-E282 PolarHBondContact OD1-N 2.61Å; D280-E282 VanDerWaalsContact OD1-N 3.17Å; E282-D284 VanDerWaalsContact C-N 3.34Å; E282-D284 PolarHBondContact O-N 2.96Å; E282-V285 PolarHBondContact O-N 3.49Å; E282-D286 VanDerWaalsContact O-CB 3.31Å; E282-D286 WeakPolarHBondContact O-CB 3.48Å; E282-D286 PolarHBondContact O-N 3.39Å
283	K	97	Very high	97.2	Very high	137 Å²	137	88.9 Å²	88.9	60%	0.596	46%	0.458	S	S	*	.	H	α-helix	trans	-61.6	-40.6	175.6	-74.5	-173.2	-171.7	114.5	0	113	D280 W287	D280-K283 HydrophobicContact CB-CB 4.08Å; D280-K283 HydrophobicContact CB-CD 4.23Å; D280-K283 HydrophobicContact CB-CG 4.27Å; D280-K283 PolarHBondContact O-N 3.31Å; D280-K283 PolarHBondContact OD1-N 3.15Å; D280-K283 VanDerWaalsContact OD2-CD 3.29Å; D280-K283 WeakPolarHBondContact OD2-CD 3.33Å; D280-K283 VanDerWaalsContact OD2-CE 3.29Å; D280-K283 WeakPolarHBondContact OD2-CE 3.28Å; D280-K283 WeakPolarHBondContact OD2-CG 3.32Å; D280-K283 IonicContact OD2-NZ 3.4Å; D280-K283 PolarHBondContact OD2-NZ 3.47Å; K283-W287 WeakPolarHBondContact O-CB 3.47Å; K283-W287 PolarHBondContact O-N 3.11Å
284	D	97.6	Very high	97	Very high	35 Å²	35	87.4 Å²	87.4	19%	0.187	47%	0.469	C	S	.	.	H	α-helix	trans	-67.6	-41	-179.4	-75.7	-7.3	0	0	0	111.4	G79 S80 S81 D280 A281 E282 W287 W288	G79-D284 WeakPolarHBondContact CA-OD1 3.42Å; S80-D284 WeakPolarHBondContact CB-OD2 3.32Å; S80-D284 VanDerWaalsContact N-CG 3.3Å; S80-D284 PolarHBondContact N-OD1 3.23Å; S80-D284 PolarHBondContact N-OD2 3.05Å; S80-D284 PolarHBondContact OG-OD1 3.39Å; S80-D284 PolarHBondContact OG-OD2 3.22Å; S81-D284 PolarHBondContact N-OD2 2.95Å; D280-D284 PolarHBondContact O-N 3.15Å; A281-D284 PolarHBondContact O-N 3.24Å; E282-D284 VanDerWaalsContact C-N 3.34Å; E282-D284 PolarHBondContact O-N 2.96Å; D284-W287 PolarHBondContact O-N 3.28Å; D284-W288 WeakPolarHBondContact O-CB 3.36Å; D284-W288 PolarHBondContact O-N 2.93Å
285	V	97.4	Very high	96.9	Very high	96 Å²	96	86.5 Å²	86.5	58%	0.582	47%	0.465	S	S	*	.	H	α-helix	trans	-67.7	-44	174.8	172.3	0	0	0	0	111.6	A281 E282 W287 W288 E289	A281-V285 WeakPolarHBondContact O-CB 3.43Å; A281-V285 VanDerWaalsContact O-CG2 3.28Å; A281-V285 WeakPolarHBondContact O-CG2 3.32Å; A281-V285 PolarHBondContact O-N 3.4Å; E282-V285 PolarHBondContact O-N 3.49Å; V285-W287 VanDerWaalsContact C-N 3.29Å; V285-W287 PolarHBondContact O-N 2.96Å; V285-W288 WeakPolarHBondContact O-CB 3.41Å; V285-W288 PolarHBondContact O-N 2.87Å; V285-W288 VanDerWaalsContact O-N 3.15Å; V285-E289 PolarHBondContact O-N 3.37Å
286	D	97.1	Very high	96.8	Very high	79 Å²	79	89.1 Å²	89.1	42%	0.422	48%	0.476	S	S	.	.	H	α-helix	trans	-59.2	-40.3	175.4	-85.6	4	0	0	0	111.9	E282 K290	E282-D286 VanDerWaalsContact O-CB 3.31Å; E282-D286 WeakPolarHBondContact O-CB 3.48Å; E282-D286 PolarHBondContact O-N 3.39Å; D286-K290 WeakPolarHBondContact O-CD 3.39Å; D286-K290 VanDerWaalsContact O-CG 3.3Å; D286-K290 WeakPolarHBondContact O-CG 3.37Å; D286-K290 PolarHBondContact O-N 3.46Å
287	W	97	Very high	96.6	Very high	117 Å²	117	91.7 Å²	91.7	44%	0.443	50%	0.499	S	S	.	.	H	α-helix	trans	-64.9	-45.8	174.9	176.1	89.5	0	0	0	110.7	K283 D284 V285 E289 K290 Q291	K283-W287 WeakPolarHBondContact O-CB 3.47Å; K283-W287 PolarHBondContact O-N 3.11Å; D284-W287 PolarHBondContact O-N 3.28Å; V285-W287 VanDerWaalsContact C-N 3.29Å; V285-W287 PolarHBondContact O-N 2.96Å; W287-E289 PolarHBondContact O-N 3.38Å; W287-K290 PolarHBondContact O-N 3.21Å; W287-Q291 HydrophobicContact CD2-CG 4Å; W287-Q291 HydrophobicContact CG-CG 4.4Å; W287-Q291 HydrophobicContact CH2-CG 4.4Å; W287-Q291 HydrophobicContact CZ2-CG 3.83Å; W287-Q291 VanDerWaalsContact O-CG 3.32Å; W287-Q291 WeakPolarHBondContact O-CG 3.31Å; W287-Q291 PolarHBondContact O-N 2.91Å
288	W	96.4	Very high	96.5	Very high	135 Å²	135	91.9 Å²	91.9	51%	0.511	50%	0.498	S	S	.	.	H	α-helix	trans	-60.6	-44.7	178.6	-177.5	-93	0	0	0	112.2	Y78 D284 V285 K290 Q291 Q292	Y78-W288 HydrophobicContact CD2-CZ3 4.3Å; Y78-W288 HydrophobicContact CE2-CZ3 4.48Å; D284-W288 WeakPolarHBondContact O-CB 3.36Å; D284-W288 PolarHBondContact O-N 2.93Å; V285-W288 WeakPolarHBondContact O-CB 3.41Å; V285-W288 PolarHBondContact O-N 2.87Å; V285-W288 VanDerWaalsContact O-N 3.15Å; W288-K290 VanDerWaalsContact C-N 3.3Å; W288-K290 PolarHBondContact O-N 3.4Å; W288-Q291 PolarHBondContact O-N 3.24Å; W288-Q292 HydrophobicContact CD2-CB 4.16Å; W288-Q292 HydrophobicContact CD2-CG 4.17Å; W288-Q292 HydrophobicContact CE3-CG 4.16Å; W288-Q292 HydrophobicContact CH2-CB 4.48Å; W288-Q292 HydrophobicContact CH2-CG 4.01Å; W288-Q292 HydrophobicContact CZ2-CB 3.97Å; W288-Q292 HydrophobicContact CZ2-CG 4.01Å; W288-Q292 HydrophobicContact CZ3-CG 4.09Å; W288-Q292 PolarHBondContact O-N 2.93Å
289	E	96.9	Very high	96.2	Very high	89 Å²	89	95.4 Å²	95.4	42%	0.416	51%	0.511	S	S	.	.	H	α-helix	trans	-59	-40.7	177.8	-166.9	-160.7	144.5	0	0	112.1	V285 W287 G293 G295	V285-E289 PolarHBondContact O-N 3.37Å; W287-E289 PolarHBondContact O-N 3.38Å; E289-G293 CarbonylContact O-C 3.17Å; E289-G293 WeakPolarHBondContact O-CA 3.15Å; E289-G293 PolarHBondContact O-N 3.02Å; E289-G295 PolarHBondContact O-N 2.95Å
290	K	96	Very high	96	Very high	126 Å²	126	102.8 Å²	102.8	55%	0.548	53%	0.53	S	S	.	.	H	α-helix	trans	-70	-34.6	178.6	-70.1	166	-169.9	158.6	0	112.8	D286 W287 W288 M296	D286-K290 WeakPolarHBondContact O-CD 3.39Å; D286-K290 VanDerWaalsContact O-CG 3.3Å; D286-K290 WeakPolarHBondContact O-CG 3.37Å; D286-K290 PolarHBondContact O-N 3.46Å; W287-K290 PolarHBondContact O-N 3.21Å; W288-K290 VanDerWaalsContact C-N 3.3Å; W288-K290 PolarHBondContact O-N 3.4Å; K290-M296 WeakPolarHBondContact O-CG 3.44Å
291	Q	94.7	Very high	95.6	Very high	95 Å²	95	106 Å²	106	44%	0.444	55%	0.553	S	S	.	*	H	α-helix	trans	-89.7	-32.3	-175.8	-64.5	-58.5	-34	0	0	114	W287 W288 M296	W287-Q291 HydrophobicContact CD2-CG 4Å; W287-Q291 HydrophobicContact CG-CG 4.4Å; W287-Q291 HydrophobicContact CH2-CG 4.4Å; W287-Q291 HydrophobicContact CZ2-CG 3.83Å; W287-Q291 VanDerWaalsContact O-CG 3.32Å; W287-Q291 WeakPolarHBondContact O-CG 3.31Å; W287-Q291 PolarHBondContact O-N 2.91Å; W288-Q291 PolarHBondContact O-N 3.24Å; Q291-M296 WeakPolarHBondContact O-CE 3.44Å; Q291-M296 WeakPolarHBondContact O-CG 3.44Å
292	Q	94.6	Very high	95.2	Very high	119 Å²	119	107.1 Å²	107.1	56%	0.556	55%	0.553	S	S	*	*	H	α-helix	trans	-133.7	-2.2	-169.5	-59.2	-61	-26.5	0	0	113.6	W288 M296	W288-Q292 HydrophobicContact CD2-CB 4.16Å; W288-Q292 HydrophobicContact CD2-CG 4.17Å; W288-Q292 HydrophobicContact CE3-CG 4.16Å; W288-Q292 HydrophobicContact CH2-CB 4.48Å; W288-Q292 HydrophobicContact CH2-CG 4.01Å; W288-Q292 HydrophobicContact CZ2-CB 3.97Å; W288-Q292 HydrophobicContact CZ2-CG 4.01Å; W288-Q292 HydrophobicContact CZ3-CG 4.09Å; W288-Q292 PolarHBondContact O-N 2.93Å; Q292-M296 VanDerWaalsContact CA-SD 3.57Å
293	G	95.1	Very high	94.6	Very high	23 Å²	23	109.3 Å²	109.3	24%	0.237	56%	0.556	C	S	.	*	S	Bend	trans	-120.7	-159.9	-172.7	0	0	0	0	0	114.2	E289 G295 M296	E289-G293 CarbonylContact O-C 3.17Å; E289-G293 WeakPolarHBondContact O-CA 3.15Å; E289-G293 PolarHBondContact O-N 3.02Å; G293-G295 PolarHBondContact O-N 3.45Å; G293-G295 VanDerWaalsContact O-N 3.07Å; G293-M296 WeakPolarHBondContact O-CB 3.33Å; G293-M296 WeakPolarHBondContact O-CG 3.27Å; G293-M296 PolarHBondContact O-N 3.24Å; G293-M296 VanDerWaalsContact O-N 3.09Å
294	P	96	Very high	93.9	Very high	123 Å²	123	109.3 Å²	109.3	80%	0.799	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.7	-19	179.5	-26.7	35.9	0	0	0	115.3	M296	P294-M296 VanDerWaalsContact C-N 3.28Å; P294-M296 PolarHBondContact O-N 2.89Å
295	G	95	Very high	93.1	Very high	41 Å²	41	111 Å²	111	42%	0.423	58%	0.575	S	S	.	*	T	Hydrogen-bonded Turn	trans	-76.1	-9.9	176.8	0	0	0	0	0	114.6	E289 G293	E289-G295 PolarHBondContact O-N 2.95Å; G293-G295 PolarHBondContact O-N 3.45Å; G293-G295 VanDerWaalsContact O-N 3.07Å
296	M	96.4	Very high	92.1	Very high	100 Å²	100	113.3 Å²	113.3	49%	0.493	58%	0.579	S	S	.	*	S	Bend	trans	-64.1	142.6	174.3	-66.3	179.3	78.7	0	0	111.1	K290 Q291 Q292 G293 P294 M298	K290-M296 WeakPolarHBondContact O-CG 3.44Å; Q291-M296 WeakPolarHBondContact O-CE 3.44Å; Q291-M296 WeakPolarHBondContact O-CG 3.44Å; Q292-M296 VanDerWaalsContact CA-SD 3.57Å; G293-M296 WeakPolarHBondContact O-CB 3.33Å; G293-M296 WeakPolarHBondContact O-CG 3.27Å; G293-M296 PolarHBondContact O-N 3.24Å; G293-M296 VanDerWaalsContact O-N 3.09Å; P294-M296 VanDerWaalsContact C-N 3.28Å; P294-M296 PolarHBondContact O-N 2.89Å; M296-M298 PolarHBondContact O-N 3.3Å
297	S	94.8	Very high	90.5	Very high	118 Å²	118	116.5 Å²	116.5	83%	0.825	60%	0.595	S	S	*	*			trans	-66.3	130.7	174.2	55.6	0	0	0	0	110.7
298	M	94.4	Very high	88.4	Confident	102 Å²	102	119.3 Å²	119.3	50%	0.502	61%	0.605	S	S	.	*			trans	-119.3	120.6	174.4	177.4	54.8	-175.5	0	0	109.8	M296 W300	M296-M298 PolarHBondContact O-N 3.3Å; M298-W300 VanDerWaalsContact C-N 3.27Å; M298-W300 HydrophobicContact CB-CD2 4.37Å; M298-W300 HydrophobicContact CB-CZ2 4.1Å; M298-W300 HydrophobicContact CE-CE3 4.07Å; M298-W300 HydrophobicContact CE-CZ3 4.36Å; M298-W300 HydrophobicContact CG-CD2 3.53Å; M298-W300 VanDerWaalsContact CG-CE2 3.42Å; M298-W300 HydrophobicContact CG-CE3 3.9Å; M298-W300 HydrophobicContact CG-CG 3.98Å; M298-W300 HydrophobicContact CG-CH2 4.08Å; M298-W300 HydrophobicContact CG-CZ2 3.72Å; M298-W300 HydrophobicContact CG-CZ3 4.16Å; M298-W300 PolarHBondContact O-N 3.22Å
299	N	93	Very high	86.5	Confident	150 Å²	150	120.4 Å²	120.4	80%	0.802	62%	0.621	S	S	*	*			trans	-80.3	79.8	169.6	-69.8	-29.9	0	0	0	108.7
300	W	92	Very high	84.4	Confident	201 Å²	201	123 Å²	123	76%	0.761	64%	0.637	S	S	*	*	P	Polyproline II helix	trans	-55.4	133	176.9	-63.5	103.8	0	0	0	110.2	M298 P302	M298-W300 VanDerWaalsContact C-N 3.27Å; M298-W300 HydrophobicContact CB-CD2 4.37Å; M298-W300 HydrophobicContact CB-CZ2 4.1Å; M298-W300 HydrophobicContact CE-CE3 4.07Å; M298-W300 HydrophobicContact CE-CZ3 4.36Å; M298-W300 HydrophobicContact CG-CD2 3.53Å; M298-W300 VanDerWaalsContact CG-CE2 3.42Å; M298-W300 HydrophobicContact CG-CE3 3.9Å; M298-W300 HydrophobicContact CG-CG 3.98Å; M298-W300 HydrophobicContact CG-CH2 4.08Å; M298-W300 HydrophobicContact CG-CZ2 3.72Å; M298-W300 HydrophobicContact CG-CZ3 4.16Å; M298-W300 PolarHBondContact O-N 3.22Å; W300-P302 VanDerWaalsContact O-CD 3.32Å; W300-P302 WeakPolarHBondContact O-CD 3.37Å; W300-P302 VanDerWaalsContact O-N 3.14Å
301	P	90.9	Very high	82.1	Confident	110 Å²	110	122.7 Å²	122.7	71%	0.714	65%	0.645	S	S	*	*	P	Polyproline II helix	trans	-56.9	120	-175.2	-25.3	33.1	0	0	0	111.6
302	P	88.4	Confident	79.7	Confident	98 Å²	98	128 Å²	128	64%	0.636	67%	0.667	S	S	*	*	P	Polyproline II helix	trans	-73.5	162.4	168	32.2	-33.2	0	0	0	109.4	W300 I304	W300-P302 VanDerWaalsContact O-CD 3.32Å; W300-P302 WeakPolarHBondContact O-CD 3.37Å; W300-P302 VanDerWaalsContact O-N 3.14Å; P302-I304 HydrophobicContact CG-CG1 4.28Å; P302-I304 PolarHBondContact O-N 3.17Å
303	Y	86.1	Confident	77.4	Confident	201 Å²	201	131.4 Å²	131.4	79%	0.788	68%	0.68	S	S	*	*	P	Polyproline II helix	trans	-64.6	126.2	164.9	174.6	-103.9	0	0	0	109.7	P305	Y303-P305 HydrophobicContact CD1-CG 4.38Å; Y303-P305 HydrophobicContact CE1-CB 3.67Å; Y303-P305 HydrophobicContact CE1-CG 3.86Å
304	I	81.2	Confident	75.1	Confident	138 Å²	138	140.8 Å²	140.8	71%	0.708	71%	0.708	S	S	*	*			trans	-119.2	101.9	177.1	-55.1	173.4	0	0	0	107.7	P302	P302-I304 HydrophobicContact CG-CG1 4.28Å; P302-I304 PolarHBondContact O-N 3.17Å
305	P	81.1	Confident	72.8	Confident	71 Å²	71	140.6 Å²	140.6	46%	0.461	70%	0.7	S	S	.	*			trans	-67.2	141.3	177.3	21.9	-26.2	0	0	0	111.5	Y303 I307	Y303-P305 HydrophobicContact CD1-CG 4.38Å; Y303-P305 HydrophobicContact CE1-CB 3.67Å; Y303-P305 HydrophobicContact CE1-CG 3.86Å; P305-I307 PolarHBondContact O-N 3.02Å; P305-I307 VanDerWaalsContact O-N 3.1Å
306	E	76.5	Confident	70.4	Confident	143 Å²	143	146.2 Å²	146.2	67%	0.668	72%	0.717	S	S	*	*			trans	-67.8	102.9	178	-167.8	-172.8	164.5	0	0	110.3	R308	E306-R308 HydrophobicContact CG-CG 4.22Å; E306-R308 PolarHBondContact O-N 3.35Å; E306-R308 IonicContact OE1-CZ 2.8Å; E306-R308 IonicContact OE1-NE 3.86Å; E306-R308 PolarHBondContact OE1-NE 2.9Å; E306-R308 IonicContact OE1-NH2 2.74Å; E306-R308 PolarHBondContact OE1-NH2 3.44Å; E306-R308 VanDerWaalsContact OE1-NH2 3.08Å; E306-R308 IonicContact OE2-NE 3.09Å; E306-R308 IonicContact OE2-NH2 3.13Å; E306-R308 PolarHBondContact OE2-NH2 3.48Å
307	I	63.7	Low	67.9	Low	146 Å²	146	148.4 Å²	148.4	75%	0.749	73%	0.73	S	S	*	*			trans	-80.6	100.5	169.4	-56.4	176.2	0	0	0	107.4	P305 D309	P305-I307 PolarHBondContact O-N 3.02Å; P305-I307 VanDerWaalsContact O-N 3.1Å; I307-D309 PolarHBondContact O-N 2.73Å
308	R	54	Low	65.6	Low	176 Å²	176	152.2 Å²	152.2	66%	0.664	73%	0.732	S	S	*	*			trans	-79.3	110.3	166.1	-68.8	-174.6	178.7	172.9	6	108.4	E306 I310	E306-R308 HydrophobicContact CG-CG 4.22Å; E306-R308 PolarHBondContact O-N 3.35Å; E306-R308 IonicContact OE1-CZ 2.8Å; E306-R308 IonicContact OE1-NE 3.86Å; E306-R308 PolarHBondContact OE1-NE 2.9Å; E306-R308 IonicContact OE1-NH2 2.74Å; E306-R308 PolarHBondContact OE1-NH2 3.44Å; E306-R308 VanDerWaalsContact OE1-NH2 3.08Å; E306-R308 IonicContact OE2-NE 3.09Å; E306-R308 IonicContact OE2-NH2 3.13Å; E306-R308 PolarHBondContact OE2-NH2 3.48Å; R308-I310 VanDerWaalsContact C-N 3.26Å; R308-I310 HydrophobicContact CB-CG1 4.33Å; R308-I310 PolarHBondContact O-N 2.63Å
309	D	55	Low	62.9	Low	158 Å²	158	156.9 Å²	156.9	85%	0.845	75%	0.753	S	S	*	*			trans	-64.8	86.9	168.1	-80.2	-28.6	0	0	0	109.9	I307 T311	I307-D309 PolarHBondContact O-N 2.73Å; D309-T311 PolarHBondContact O-N 2.77Å
310	I	54.1	Low	60.8	Low	145 Å²	145	156 Å²	156	74%	0.744	75%	0.753	S	S	*	*			trans	-83.9	104.3	168.2	-55.8	173.2	0	0	0	106.1	R308	R308-I310 VanDerWaalsContact C-N 3.26Å; R308-I310 HydrophobicContact CB-CG1 4.33Å; R308-I310 PolarHBondContact O-N 2.63Å
311	T	47	Very low	58.6	Low	118 Å²	118	154.7 Å²	154.7	72%	0.724	76%	0.755	S	S	*	*			trans	132.3	94.2	142.6	-40.2	0	0	0	0	114.8	D309	D309-T311 PolarHBondContact O-N 2.77Å
312	K	45	Very low	56.6	Low	207 Å²	207	155.5 Å²	155.5	90%	0.9	76%	0.76	S	S	*	*			trans	-86.8	107.8	146.4	-79.5	179.9	177.5	174.1	0	108.8
313	K	46.3	Very low	54.6	Low	191 Å²	191	156.7 Å²	156.7	83%	0.83	77%	0.765	S	S	*	*			trans	166.4	126.8	135.3	-96.5	170.8	178	174.8	0	113.2
314	R	45.8	Very low	52.4	Low	219 Å²	219	153.7 Å²	153.7	83%	0.826	77%	0.768	S	S	*	*			trans	86.7	107.6	152.5	-81.6	175.7	78.6	162.6	1.9	120.2
315	L	47.2	Very low	50.5	Low	120 Å²	120	155 Å²	155	63%	0.628	78%	0.776	S	S	*	*				93.8	105.1	125.1	-66.6	164.3	0	0	0	119.5
316	M	45.7	Very low	48.5	Very low	159 Å²	159	160 Å²	160	78%	0.783	80%	0.798	S	S	*	*				63.2	122.5	125.6	-67.6	-175.6	125.2	0	0	120.9
317	N	43.1	Very low	47	Very low	145 Å²	145	158.2 Å²	158.2	78%	0.775	80%	0.801	S	S	*	*			trans	68.3	93.4	149.6	-72.3	-0.9	0	0	0	118.5
318	K	47.2	Very low	46	Very low	198 Å²	198	159.9 Å²	159.9	86%	0.861	81%	0.805	S	S	*	*				172.1	139.7	100.9	-101.7	176	171.5	177.5	0	109.8	V320	K318-V320 PolarHBondContact O-N 3.36Å
319	E	38	Very low	45.3	Very low	200 Å²	200	162.7 Å²	162.7	94%	0.935	82%	0.816	S	S	*	*			trans	-49.9	117.6	171.3	-66.7	165.8	141.7	0	0	111.2
320	V	47.4	Very low	44.7	Very low	133 Å²	133	163.6 Å²	163.6	81%	0.806	82%	0.82	S	S	*	*			trans	-146.2	120.4	158.3	-174.2	0	0	0	0	107	K318	K318-V320 PolarHBondContact O-N 3.36Å
321	E	47.5	Very low	44	Very low	173 Å²	173	161.5 Å²	161.5	81%	0.808	82%	0.818	S	S	*	*			trans	-54	140.1	174.2	-69.1	177.9	139.3	0	0	111.7	V323	E321-V323 PolarHBondContact O-N 3.32Å; E321-V323 VanDerWaalsContact O-N 3.14Å
322	P	48.5	Very low	43.9	Very low	127 Å²	127	164 Å²	164	83%	0.825	83%	0.825	S	S	*	*			trans	-75.2	106.1	167.7	29.4	-28.2	0	0	0	109.3	T324	P322-T324 PolarHBondContact O-N 3.23Å
323	V	46	Very low	43.7	Very low	122 Å²	122	158.7 Å²	158.7	74%	0.739	81%	0.814	S	S	*	*			trans	-53.8	120.2	167.4	174.6	0	0	0	0	109.8	E321 L325	E321-V323 PolarHBondContact O-N 3.32Å; E321-V323 VanDerWaalsContact O-N 3.14Å; V323-L325 PolarHBondContact O-N 3.45Å
324	T	39.5	Very low	43.5	Very low	138 Å²	138	158.2 Å²	158.2	85%	0.847	82%	0.815	S	S	*	*			trans	-59	109.6	169.9	13.9	0	0	0	0	110.9	P322 L326	P322-T324 PolarHBondContact O-N 3.23Å; T324-L326 PolarHBondContact O-N 3.32Å
325	L	42.6	Very low	43.3	Very low	167 Å²	167	152.2 Å²	152.2	87%	0.874	80%	0.804	S	S	*	*			trans	-87.4	101.8	168.9	-80.8	172.3	0	0	0	110.4	V323 S327	V323-L325 PolarHBondContact O-N 3.45Å; L325-S327 PolarHBondContact O-N 2.88Å
326	L	38.1	Very low	43.1	Very low	176 Å²	176	154.2 Å²	154.2	92%	0.921	82%	0.816	S	S	*	*			trans	-58	116.8	166.4	-165.4	74	0	0	0	110	T324	T324-L326 PolarHBondContact O-N 3.32Å
327	S	45.5	Very low	42.7	Very low	104 Å²	104	150.5 Å²	150.5	73%	0.727	82%	0.818	S	S	*	*			trans	-127.4	100	170.1	-176	0	0	0	0	110.9	L325	L325-S327 PolarHBondContact O-N 2.88Å
328	Q	42.9	Very low	42.7	Very low	182 Å²	182	148.3 Å²	148.3	85%	0.85	82%	0.82	S	S	*	*			trans	50.3	101.3	142.4	-70.4	177.4	-20.6	0	0	119.7
329	R	38.2	Very low	42.4	Very low	234 Å²	234	145 Å²	145	88%	0.883	82%	0.818	S	S	*	*			trans	-69.5	121.7	160.3	-158.9	179.8	-163.1	-179.3	3.5	109.8
330	L	43	Very low	42.2	Very low	178 Å²	178	143.2 Å²	143.2	93%	0.932	82%	0.815	S	S	*	*			trans	-98.8	106	160.2	-83.5	162.3	0	0	0	107.9
331	S	39	Very low	41.9	Very low	100 Å²	100	146.2 Å²	146.2	70%	0.699	82%	0.82	S	S	*	*			trans	-96.2	122.1	170.8	38.1	0	0	0	0	109.4
332	I	44.5	Very low	41.3	Very low	170 Å²	170	147 Å²	147	87%	0.872	82%	0.821	S	S	*	*			trans	-105.8	108.5	159.4	-63.8	174.9	0	0	0	105.9
333	S	41.8	Very low	40.7	Very low	96 Å²	96	149.2 Å²	149.2	67%	0.671	82%	0.82	S	S	*	*			trans	-71.4	151.9	167.7	40.9	0	0	0	0	110.3
334	E	42	Very low	40.3	Very low	181 Å²	181	150.1 Å²	150.1	85%	0.846	82%	0.821	S	S	*	*				-177.5	170.3	94.7	-111.2	-170	-165.6	0	0	113.4
335	P	42.4	Very low	40	Very low	93 Å²	93	149.6 Å²	149.6	60%	0.604	81%	0.813	S	S	*	*				-133.4	178	-109.4	40.7	-21.2	0	0	0	116.6
336	N	42.2	Very low	39.8	Very low	163 Å²	163	148.2 Å²	148.2	87%	0.872	81%	0.811	S	S	*	*			trans	131.4	127.3	142.7	-73.7	-24.4	0	0	0	116.6
337	G	36.8	Very low	39.6	Very low	81 Å²	81	146.1 Å²	146.1	84%	0.835	80%	0.801	S	S	*	*			trans	134	91	158.4	0	0	0	0	0	115.8
338	A	44.6	Very low	39.3	Very low	98 Å²	98	150.3 Å²	150.3	81%	0.81	81%	0.809	S	S	*	*			trans	-79.1	-170.9	-175.2	0	0	0	0	0	114.9
339	P	38.9	Very low	38.9	Very low	128 Å²	128	145.9 Å²	145.9	83%	0.831	80%	0.803	S	S	*	*				-128.6	167.4	-61.5	34.1	-17.3	0	0	0	114
340	L	33.8	Very low	38.9	Very low	163 Å²	163	142.8 Å²	142.8	85%	0.853	80%	0.804	S	S	*	*			trans	-71.4	143.5	176.6	-72.4	146	0	0	0	114.1
341	E	41.5	Very low	38.4	Very low	196 Å²	196	141.4 Å²	141.4	92%	0.916	80%	0.798	S	S	*	*			trans	-113.2	133.7	149.5	-78.5	-171.9	165.7	0	0	110.1
342	K	34.7	Very low	38.4	Very low	190 Å²	190	146 Å²	146	83%	0.826	81%	0.808	S	S	*	*			trans	-100.6	152.3	175.9	-73	179.3	178.3	178.3	0	109.2
343	E	37.4	Very low	37.9	Very low	173 Å²	173	147.4 Å²	147.4	81%	0.808	81%	0.808	S	S	*	*			trans	145.7	138.2	144.5	-83.9	-171.6	-175.7	0	0	107.3
344	N	37.8	Very low	37.8	Very low	141 Å²	141	149.5 Å²	149.5	75%	0.754	82%	0.817	S	S	*	*			cis	-159.3	147.6	3.5	-109.6	-35.1	0	0	0	106.9
345	N	33.3	Very low	37.6	Very low	128 Å²	128	146 Å²	146	68%	0.684	81%	0.81	S	S	*	*			trans	-93.7	129.8	-174.7	-165.1	5.2	0	0	0	109.9
346	V	37.8	Very low	37	Very low	138 Å²	138	148.7 Å²	148.7	84%	0.836	82%	0.824	S	S	*	*			trans	-140.3	104.1	153.4	-178.2	0	0	0	0	109
347	N	33.7	Very low	36.9	Very low	131 Å²	131	147.2 Å²	147.2	70%	0.701	82%	0.822	S	S	*	*			trans	-65.9	141.2	163.1	-76.8	-36.3	0	0	0	110.6
348	Q	40	Very low	36.7	Very low	193 Å²	193	149.5 Å²	149.5	90%	0.902	82%	0.819	S	S	*	*			trans	-145.4	120.7	139.8	-113.9	174.4	39.5	0	0	110.3
349	A	33.9	Very low	36.4	Very low	89 Å²	89	151.1 Å²	151.1	74%	0.736	82%	0.823	S	S	*	*			trans	-71.3	153.2	-179.3	0	0	0	0	0	112
350	N	37	Very low	36.5	Very low	169 Å²	169	152 Å²	152	90%	0.904	82%	0.821	S	S	*	*			trans	-154.1	112.3	135.2	-122.5	-3.4	0	0	0	111
351	D	34.4	Very low	36.6	Very low	149 Å²	149	153.1 Å²	153.1	80%	0.797	82%	0.819	S	S	*	*			trans	-59.2	138.3	163.1	-82.4	-53.3	0	0	0	110.6
352	Q	39	Very low	36.7	Very low	197 Å²	197	152.9 Å²	152.9	92%	0.921	82%	0.82	S	S	*	*			trans	-146.3	116.7	144.8	-113.1	171	18	0	0	111.8
353	K	33.9	Very low	36.8	Very low	199 Å²	199	151.6 Å²	151.6	87%	0.865	82%	0.822	S	S	*	*			trans	-91.1	127.9	-172	-171.4	-174.2	-164.5	-179.8	0	108.9
354	V	38.5	Very low	36.9	Very low	140 Å²	140	147.1 Å²	147.1	85%	0.848	82%	0.823	S	S	*	*			trans	-141.6	135.2	163.1	-174.7	0	0	0	0	109.8
355	P	38.8	Very low	36.9	Very low	108 Å²	108	145 Å²	145	70%	0.701	82%	0.824	S	S	*	*			trans	-97.8	149.6	-151.7	36.3	-30.7	0	0	0	114.4
356	T	29.8	Very low	37.4	Very low	148 Å²	148	145.1 Å²	145.1	91%	0.908	83%	0.829	S	S	*	*			trans	-70	132.3	163.8	16.9	0	0	0	0	110.7
357	T	39	Very low	37.4	Very low	133 Å²	133	146.4 Å²	146.4	82%	0.816	83%	0.832	S	S	*	*			trans	-120.1	125	163.5	-27.3	0	0	0	0	109.2
358	T	33.1	Very low	37.5	Very low	128 Å²	128	143 Å²	143	79%	0.785	83%	0.828	S	S	*	*			trans	-56.7	144.1	176.8	31.7	0	0	0	0	113.5
359	C	37.4	Very low	37.6	Very low	132 Å²	132	139.4 Å²	139.4	89%	0.892	82%	0.824	S	S	*	*			trans	-123.5	124.5	155.3	-166.5	0	0	0	0	108.4
360	D	41.6	Very low	38.3	Very low	147 Å²	147	140.5 Å²	140.5	79%	0.786	82%	0.824	S	S	*	*			trans	-71.7	153.9	-178.8	-81.1	-57.9	0	0	0	113
361	K	36.3	Very low	38.6	Very low	186 Å²	186	139.6 Å²	139.6	81%	0.809	82%	0.819	S	S	*	*			trans	-54.8	144.8	172.9	-65.4	165.5	173	169.5	0	112.2
362	M	43.6	Very low	38.9	Very low	192 Å²	192	137.7 Å²	137.7	95%	0.946	82%	0.817	S	S	*	*			trans	-154.5	123.7	134.7	-106.7	173.7	-167.9	0	0	110.6
363	D	36.9	Very low	39	Very low	163 Å²	163	133.5 Å²	133.5	87%	0.872	81%	0.807	S	S	*	*			trans	-65.4	154.6	176	-61.4	-67.6	0	0	0	112.7
364	G	37.9	Very low	39.3	Very low	79 Å²	79	133 Å²	133	81%	0.814	81%	0.805	S	S	*	*			trans	175.2	92.2	172.4	0	0	0	0	0	113.7
365	A	39.8	Very low	39.2	Very low	95 Å²	95	134 Å²	134	79%	0.785	81%	0.806	S	S	*	*			trans	-64.6	170.1	-175.6	0	0	0	0	0	117.1
366	V	42.8	Very low	39.3	Very low	131 Å²	131	136.1 Å²	136.1	79%	0.794	81%	0.811	S	S	*	*			trans	109.1	104.2	144.4	-173.6	0	0	0	0	117.6
367	D	37.3	Very low	39.7	Very low	165 Å²	165	138.3 Å²	138.3	88%	0.882	81%	0.811	S	S	*	*				62.5	139	129.5	-156.5	16.5	0	0	0	121.5
368	G	36	Very low	40.1	Very low	60 Å²	60	143.5 Å²	143.5	62%	0.619	82%	0.816	S	S	*	*			trans	126.9	90.2	166.9	0	0	0	0	0	114.9
369	S	41.6	Very low	40	Very low	118 Å²	118	144.2 Å²	144.2	83%	0.825	82%	0.815	S	S	*	*			trans	-54.8	150.9	158.4	-69.1	0	0	0	0	111.1
370	P	49.1	Very low	40.1	Very low	112 Å²	112	145.5 Å²	145.5	73%	0.727	81%	0.813	S	S	*	*				-140	125.2	127.7	28	-10.1	0	0	0	113.3
371	D	44.6	Very low	39.6	Very low	149 Å²	149	145.1 Å²	145.1	80%	0.797	81%	0.811	S	S	*	*				42.2	120.7	125.5	-59.6	-29.8	0	0	0	120.6
372	S	39.3	Very low	39.6	Very low	109 Å²	109	141.7 Å²	141.7	76%	0.762	81%	0.805	S	S	*	*			trans	-59.3	128.7	163.4	-177.3	0	0	0	0	111.3	F374	S372-F374 PolarHBondContact O-N 2.92Å
373	P	41.9	Very low	39.2	Very low	109 Å²	109	141 Å²	141	71%	0.708	80%	0.8	S	S	*	*			trans	-99.4	73.2	-177.8	36.3	-31.7	0	0	0	111.9
374	F	39	Very low	38.9	Very low	188 Å²	188	139.9 Å²	139.9	83%	0.825	80%	0.799	S	S	*	*			trans	-156.9	83.9	165.9	-78.6	-76.3	0	0	0	109.8	S372	S372-F374 PolarHBondContact O-N 2.92Å
375	D	37	Very low	38.8	Very low	162 Å²	162	142 Å²	142	87%	0.866	80%	0.801	S	S	*	*			trans	-174.1	115.7	152.8	-93.6	-27.3	0	0	0	108.2
376	D	40.1	Very low	38.2	Very low	152 Å²	152	141.3 Å²	141.3	81%	0.813	80%	0.803	S	S	*	*			trans	-171	100.4	149.3	-93.7	-29.7	0	0	0	109.6
377	E	39.8	Very low	37.7	Very low	195 Å²	195	140.2 Å²	140.2	91%	0.911	81%	0.808	S	S	*	*			trans	-80	119	163.2	-78	179.9	140.6	0	0	109.9
378	W	46.3	Very low	37.6	Very low	241 Å²	241	137.4 Å²	137.4	91%	0.913	81%	0.808	S	S	*	*			trans	-125.7	101.3	164.1	-78	45	0	0	0	109.4
379	D	32.3	Very low	37.5	Very low	143 Å²	143	138.4 Å²	138.4	77%	0.765	82%	0.818	S	S	*	*			trans	-82.6	134.6	160.7	-167.8	8.1	0	0	0	108.1
380	D	37.9	Very low	37.2	Very low	160 Å²	160	142.4 Å²	142.4	86%	0.856	82%	0.824	S	S	*	*			trans	-176.4	118.4	137	-98	-30	0	0	0	112.2
381	N	31.5	Very low	36.7	Very low	139 Å²	139	142.2 Å²	142.2	74%	0.743	83%	0.825	S	S	*	*			trans	-63.4	159.5	165.1	-167.8	6.1	0	0	0	111
382	V	36.9	Very low	36.5	Very low	114 Å²	114	140.4 Å²	140.4	69%	0.691	82%	0.824	S	S	*	*			trans	165.6	113.8	141.8	156.4	0	0	0	0	113.4
383	Q	35.2	Very low	36.8	Very low	176 Å²	176	139.9 Å²	139.9	82%	0.822	82%	0.816	S	S	*	*			trans	72.6	120.1	136.1	-67.4	168.9	-13.6	0	0	123.6
384	T	30.2	Very low	37.3	Very low	141 Å²	141	143.5 Å²	143.5	87%	0.865	82%	0.821	S	S	*	*			trans	-76.4	141.9	155.2	32.2	0	0	0	0	112.9
385	S	35.6	Very low	38.5	Very low	122 Å²	122	144.4 Å²	144.4	85%	0.853	82%	0.824	S	S	*	*			trans	-160.2	126	151.5	59.9	0	0	0	0	111.2
386	G	27.9	Very low	40.1	Very low	81 Å²	81	137.8 Å²	137.8	84%	0.835	79%	0.794	S	S	*	*			trans	-85.7	166.4	173.4	0	0	0	0	0	113.3
387	A	33.2	Very low	42.4	Very low	108 Å²	108	134.2 Å²	134.2	89%	0.893	78%	0.778	S	S	*	*			trans	-150.4	113.9	165	0	0	0	0	0	109.8
388	A	34.8	Very low	44.9	Very low	106 Å²	106	129 Å²	129	88%	0.876	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-100.2	126.3	157.5	0	0	0	0	0	107
389	G	33.5	Very low	47.1	Very low	81 Å²	81	117.6 Å²	117.6	84%	0.835	71%	0.713	S	S	*	*	P	Polyproline II helix	trans	-93.5	124.7	179.3	0	0	0	0	0	112
390	E	35.5	Very low	50.1	Low	202 Å²	202	115.4 Å²	115.4	94%	0.944	70%	0.696	S	S	*	*	P	Polyproline II helix	trans	-82.3	135.3	164.4	-75.6	178.5	151.3	0	0	110.6
391	S	38.2	Very low	52.7	Low	109 Å²	109	107.9 Å²	107.9	76%	0.762	66%	0.657	S	S	*	*	P	Polyproline II helix	trans	-94.2	125.7	178.3	42.2	0	0	0	0	112.1
392	S	40.1	Very low	55.4	Low	111 Å²	111	104.4 Å²	104.4	78%	0.776	64%	0.638	S	S	*	*			trans	4.1	111.9	156.7	60.6	0	0	0	0	118.9	K394	S392-K394 PolarHBondContact O-N 3.39Å
393	V	45	Very low	57.9	Low	97 Å²	97	103.3 Å²	103.3	59%	0.588	62%	0.622	S	S	*	*			trans	-71.7	114.4	169.6	178.4	0	0	0	0	110.4
394	K	54.3	Low	60.4	Low	185 Å²	185	99.2 Å²	99.2	80%	0.804	61%	0.606	S	S	*	*	P	Polyproline II helix	trans	-66.3	133.7	164	-70.5	177.5	176.8	175.9	0	108.9	S392 G396	S392-K394 PolarHBondContact O-N 3.39Å; K394-G396 PolarHBondContact O-N 3.31Å; K394-G396 VanDerWaalsContact O-N 3.17Å
395	K	62.8	Low	63.2	Low	207 Å²	207	92.9 Å²	92.9	90%	0.9	57%	0.566	S	S	*	*	P	Polyproline II helix	trans	-56.3	116.8	167.7	-89.3	-177	173.7	-179.4	0	108.6
396	G	70.8	Confident	65.8	Low	23 Å²	23	91.7 Å²	91.7	24%	0.237	55%	0.55	C	S	.	*	P	Polyproline II helix	trans	-79.3	165.2	177.3	0	0	0	0	0	112.8	K394 E422 K423	K394-G396 PolarHBondContact O-N 3.31Å; K394-G396 VanDerWaalsContact O-N 3.17Å; G396-E422 VanDerWaalsContact CA-CG 3.46Å; G396-E422 WeakPolarHBondContact CA-OE1 3.5Å; G396-E422 PolarHBondContact N-OE1 3.04Å; G396-K423 CarbonylContact C-O 3.41Å; G396-K423 WeakPolarHBondContact CA-O 3.4Å
397	V	87.8	Confident	68.7	Low	77 Å²	77	92.9 Å²	92.9	47%	0.467	53%	0.532	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	131.7	-179.3	177.3	0	0	0	0	108.6	V399 K423 V451	V397-V399 PolarHBondContact O-N 2.65Å; V397-K423 PolarHBondContact N-O 2.83Å; V397-K423 VanDerWaalsContact N-O 3.08Å; V397-K423 WeakPolarHBondContact O-CB 3.44Å; V397-K423 PolarHBondContact O-N 3.24Å; V397-V451 HydrophobicContact CG1-CG1 3.62Å; V397-V451 HydrophobicContact CG1-CG2 4.31Å
398	L	93	Very high	71	Confident	85 Å²	85	91.3 Å²	91.3	45%	0.445	51%	0.507	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	131.2	177.4	-65.7	177.5	0	0	0	110.8	I420 Q452	L398-I420 HydrophobicContact CB-CG2 4.03Å; L398-I420 HydrophobicContact CD1-CG2 4.43Å; L398-I420 HydrophobicContact CD2-CG2 4.05Å; L398-I420 HydrophobicContact CG-CG2 4.4Å; L398-Q452 PolarHBondContact O-N 3.18Å
399	V	93.5	Very high	73.3	Confident	2 Å²	2	90.5 Å²	90.5	1%	0.012	49%	0.485	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	144	175.4	-64.4	0	0	0	0	110	V397 I420 F421 K423 A449 V450 V451	V397-V399 PolarHBondContact O-N 2.65Å; V399-I420 VanDerWaalsContact O-CA 3.3Å; V399-I420 WeakPolarHBondContact O-CA 3.1Å; V399-F421 HydrophobicContact CG2-CD1 4.21Å; V399-F421 HydrophobicContact CG2-CD2 3.55Å; V399-F421 HydrophobicContact CG2-CE1 4.02Å; V399-F421 HydrophobicContact CG2-CE2 3.34Å; V399-F421 HydrophobicContact CG2-CG 3.99Å; V399-F421 HydrophobicContact CG2-CZ 3.6Å; V399-F421 WeakPolarHBondContact CG2-O 3.5Å; V399-F421 PolarHBondContact N-O 3.41Å; V399-F421 PolarHBondContact O-N 3.02Å; V399-K423 HydrophobicContact CG1-CB 3.72Å; V399-K423 HydrophobicContact CG1-CD 4.19Å; V399-K423 HydrophobicContact CG2-CB 4.37Å; V399-A449 HydrophobicContact CB-CB 3.91Å; V399-A449 HydrophobicContact CG2-CB 3.96Å; V399-V450 CarbonylContact C-O 3.52Å; V399-V450 VanDerWaalsContact CA-O 3.25Å; V399-V450 WeakPolarHBondContact CA-O 3.32Å; V399-V451 HydrophobicContact CG1-CG2 4.27Å
400	K	94.1	Very high	75.6	Confident	97 Å²	97	94 Å²	94	42%	0.422	48%	0.484	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	128.2	176.7	-175.9	177.8	-178.5	176.9	0	110.1	L402 E419 I420 A449 V450	K400-L402 PolarHBondContact O-N 2.67Å; K400-E419 WeakPolarHBondContact CA-O 3.16Å; K400-I420 HydrophobicContact CG-CG1 4.49Å; K400-A449 VanDerWaalsContact O-CA 3.27Å; K400-A449 WeakPolarHBondContact O-CA 3.41Å; K400-V450 HydrophobicContact CB-CG1 4.41Å; K400-V450 PolarHBondContact N-O 3.4Å; K400-V450 PolarHBondContact O-N 3.21Å
401	A	92.7	Very high	78.3	Confident	2 Å²	2	88.8 Å²	88.8	2%	0.017	46%	0.463	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	125.3	175.8	0	0	0	0	0	111.6	F415 K416 G418 E419 F421	A401-F415 HydrophobicContact CB-CD2 3.47Å; A401-F415 VanDerWaalsContact CB-CD2 3.47Å; A401-F415 HydrophobicContact CB-CE2 3.99Å; A401-F415 HydrophobicContact CB-CG 4.35Å; A401-K416 VanDerWaalsContact CB-O 3.22Å; A401-K416 WeakPolarHBondContact CB-O 3.3Å; A401-G418 PolarHBondContact O-N 2.99Å; A401-E419 PolarHBondContact N-O 3.42Å; A401-F421 HydrophobicContact CB-CE1 4.25Å
402	L	89	Confident	80.8	Confident	67 Å²	67	83.9 Å²	83.9	35%	0.351	43%	0.428	S	S	.	.	S	Bend	trans	-84.5	-28.1	176.5	-64	177.3	0	0	0	112.3	K400 K417 Y448 V450	K400-L402 PolarHBondContact O-N 2.67Å; L402-K417 WeakPolarHBondContact O-CD 3.37Å; L402-K417 WeakPolarHBondContact O-CG 3.45Å; L402-Y448 PolarHBondContact N-O 3.39Å; L402-V450 HydrophobicContact CD1-CB 4.35Å; L402-V450 HydrophobicContact CD2-CB 4.15Å; L402-V450 HydrophobicContact CD2-CG1 3.74Å; L402-V450 HydrophobicContact CG-CB 4.39Å; L402-V450 HydrophobicContact CG-CG1 4.37Å
403	Y	88.3	Confident	83.3	Confident	91 Å²	91	78.9 Å²	78.9	36%	0.357	39%	0.392	S	S	.	.	S	Bend	trans	-139.9	161.7	-177.9	-50.2	-77.5	0	0	0	109.9	Y448	Y403-Y448 HydrophobicContact CD2-CD1 4.16Å; Y403-Y448 HydrophobicContact CD2-CD2 4.49Å; Y403-Y448 HydrophobicContact CD2-CE1 4.37Å; Y403-Y448 HydrophobicContact CD2-CG 4.24Å; Y403-Y448 HydrophobicContact CG-CD1 4.46Å; Y403-Y448 HydrophobicContact CG-CE1 4.44Å
404	D	88	Confident	85.5	Confident	90 Å²	90	76.4 Å²	76.4	48%	0.481	38%	0.379	S	S	.	.			trans	-67.7	136.8	165.4	-65.3	-6.8	0	0	0	109.2	K416 K417	D404-K416 HydrophobicContact CB-CD 4.18Å; D404-K416 WeakPolarHBondContact OD1-CA 3.35Å; D404-K417 VanDerWaalsContact OD1-CB 3.31Å; D404-K417 WeakPolarHBondContact OD1-CB 3.46Å; D404-K417 PolarHBondContact OD1-N 3.46Å
405	Y	89.7	Confident	87.4	Confident	7 Å²	7	67.8 Å²	67.8	3%	0.027	34%	0.342	C	S	.	.	B	Isolated β-bridge	trans	-136.2	117.5	174.3	-171.6	-102.8	0	0	0	108.9	E412 L413 S414 F415 W432 P445 Y448	Y405-E412 PolarHBondContact OH-OE2 3.07Å; Y405-L413 WeakPolarHBondContact CD1-O 3.33Å; Y405-L413 VanDerWaalsContact CE1-O 3.3Å; Y405-L413 WeakPolarHBondContact CE1-O 3.3Å; Y405-S414 CarbonylContact O-C 3.56Å; Y405-S414 VanDerWaalsContact O-CA 3.23Å; Y405-S414 WeakPolarHBondContact O-CA 3.46Å; Y405-F415 VanDerWaalsContact CB-CZ 3.41Å; Y405-F415 HydrophobicContact CD1-CD1 4.5Å; Y405-F415 AromaticContact CD1-CE1 3.8Å; Y405-F415 HydrophobicContact CD1-CE1 3.8Å; Y405-F415 AromaticContact CD1-CZ 3.96Å; Y405-F415 HydrophobicContact CD1-CZ 3.96Å; Y405-F415 HydrophobicContact CG-CE1 4.15Å; Y405-F415 HydrophobicContact CG-CE2 4.32Å; Y405-F415 AromaticContact CG-CZ 3.84Å; Y405-F415 HydrophobicContact CG-CZ 3.84Å; Y405-F415 PolarHBondContact N-O 3.5Å; Y405-F415 PolarHBondContact O-N 3.39Å; Y405-F415 VanDerWaalsContact O-O 3.08Å; Y405-W432 VanDerWaalsContact OH-CH2 3.23Å; Y405-W432 WeakPolarHBondContact OH-CH2 3.22Å; Y405-P445 HydrophobicContact CD2-CG 4.13Å; Y405-P445 HydrophobicContact CE2-CG 3.64Å; Y405-Y448 AromaticContact CD2-CD1 3.84Å; Y405-Y448 HydrophobicContact CD2-CD1 3.84Å; Y405-Y448 AromaticContact CD2-CE1 3.7Å; Y405-Y448 HydrophobicContact CD2-CE1 3.7Å; Y405-Y448 HydrophobicContact CD2-CG 4.49Å; Y405-Y448 HydrophobicContact CG-CD1 4.18Å; Y405-Y448 HydrophobicContact CG-CE1 4.38Å
406	D	89.7	Confident	88.7	Confident	98 Å²	98	62.2 Å²	62.2	52%	0.524	32%	0.318	S	S	.	.			trans	-100.5	127.8	172.8	-58.3	-51.8	0	0	0	107.8	K416	D406-K416 IonicContact OD1-NZ 3.93Å; D406-K416 PolarHBondContact OD1-NZ 2.87Å; D406-K416 IonicContact OD2-NZ 2.84Å
407	K	89.5	Confident	89.7	Confident	106 Å²	106	68.1 Å²	68.1	46%	0.461	34%	0.337	S	S	.	.			trans	-59.1	141.4	-174.9	71.9	-179.6	-174.6	158.8	0	111	E412 S414	K407-E412 HydrophobicContact CB-CB 3.87Å; K407-E412 WeakPolarHBondContact CB-O 3.49Å; K407-E412 WeakPolarHBondContact CD-O 3.49Å; K407-S414 WeakPolarHBondContact CB-OG 3.47Å; K407-S414 WeakPolarHBondContact CG-OG 3.45Å; K407-S414 PolarHBondContact N-OG 3.03Å
408	Q	81.7	Confident	89.9	Confident	75 Å²	75	66 Å²	66	35%	0.35	33%	0.331	S	S	.	.	S	Bend	trans	-110.7	-21.5	-176.8	-56.4	-171.1	-23.6	0	0	113.2	E412	Q408-E412 WeakPolarHBondContact CB-OE2 3.48Å; Q408-E412 PolarHBondContact N-OE2 3.1Å
409	E	81.5	Confident	89.9	Confident	89 Å²	89	65.1 Å²	65.1	42%	0.416	32%	0.324	S	S	.	.	S	Bend	trans	-128.9	164.2	173.6	-61.2	-69	161.9	0	0	109.6	R169 D411 E412	R169-E409 IonicContact CZ-OE1 2.73Å; R169-E409 VanDerWaalsContact CZ-OE1 3.24Å; R169-E409 IonicContact NH1-OE1 3.32Å; R169-E409 PolarHBondContact NH1-OE1 3.17Å; R169-E409 IonicContact NH2-OE1 3.05Å; R169-E409 PolarHBondContact NH2-OE1 3.37Å; E409-D411 WeakPolarHBondContact CB-OD1 3.32Å; E409-D411 PolarHBondContact O-N 3.22Å; E409-E412 HydrophobicContact CB-CG 4.23Å; E409-E412 PolarHBondContact O-N 3.1Å
410	D	83.4	Confident	89.9	Confident	154 Å²	154	69 Å²	69	82%	0.824	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-19	-177.3	-74.3	-32.9	0	0	0	113.8
411	D	90.8	Very high	89.9	Confident	92 Å²	92	64.7 Å²	64.7	49%	0.492	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	3.2	177	64.9	-30.9	0	0	0	113.9	E409 G442 L443	E409-D411 WeakPolarHBondContact CB-OD1 3.32Å; E409-D411 PolarHBondContact O-N 3.22Å; D411-G442 CarbonylContact O-C 3.57Å; D411-G442 WeakPolarHBondContact O-CA 3.49Å; D411-L443 PolarHBondContact O-N 3.08Å
412	E	91.6	Very high	90	Very high	6 Å²	6	66.7 Å²	66.7	3%	0.028	33%	0.334	C	S	.	.	B	Isolated β-bridge	trans	-102.5	153.7	-179.8	-65.8	178.3	-169.9	0	0	113.4	Y405 K407 Q408 E409 W432 L443	Y405-E412 PolarHBondContact OH-OE2 3.07Å; K407-E412 HydrophobicContact CB-CB 3.87Å; K407-E412 WeakPolarHBondContact CB-O 3.49Å; K407-E412 WeakPolarHBondContact CD-O 3.49Å; Q408-E412 WeakPolarHBondContact CB-OE2 3.48Å; Q408-E412 PolarHBondContact N-OE2 3.1Å; E409-E412 HydrophobicContact CB-CG 4.23Å; E409-E412 PolarHBondContact O-N 3.1Å; E412-W432 HydrophobicContact CG-CH2 4.26Å; E412-W432 HydrophobicContact CG-CZ3 3.91Å; E412-W432 VanDerWaalsContact OE1-CH2 3.29Å; E412-W432 WeakPolarHBondContact OE1-CH2 3.4Å; E412-L443 CarbonylContact C-O 3.54Å; E412-L443 WeakPolarHBondContact CA-O 3.5Å
413	L	92.2	Very high	90.2	Very high	6 Å²	6	65.2 Å²	65.2	3%	0.031	33%	0.325	C	S	.	.			trans	-90.2	150.8	173.8	-67.7	178.4	0	0	0	112.3	Y405 F415 K437 V440 L443	Y405-L413 WeakPolarHBondContact CD1-O 3.33Å; Y405-L413 VanDerWaalsContact CE1-O 3.3Å; Y405-L413 WeakPolarHBondContact CE1-O 3.3Å; L413-F415 HydrophobicContact CB-CD1 4.29Å; L413-K437 HydrophobicContact CD1-CB 4.34Å; L413-K437 HydrophobicContact CD2-CB 4.45Å; L413-V440 HydrophobicContact CD2-CB 4.25Å; L413-V440 HydrophobicContact CD2-CG1 4.04Å; L413-V440 WeakPolarHBondContact CD2-O 3.45Å; L413-L443 PolarHBondContact N-O 3.45Å
414	S	91.9	Very high	90.3	Very high	46 Å²	46	63.5 Å²	63.5	32%	0.322	32%	0.322	S	S	.	.			trans	-111.4	136.4	166.5	-53.7	0	0	0	0	110.6	Y405 K407 K437	Y405-S414 CarbonylContact O-C 3.56Å; Y405-S414 VanDerWaalsContact O-CA 3.23Å; Y405-S414 WeakPolarHBondContact O-CA 3.46Å; K407-S414 WeakPolarHBondContact CB-OG 3.47Å; K407-S414 WeakPolarHBondContact CG-OG 3.45Å; K407-S414 PolarHBondContact N-OG 3.03Å; S414-K437 VanDerWaalsContact O-CD 3.28Å; S414-K437 WeakPolarHBondContact O-CD 3.32Å; S414-K437 WeakPolarHBondContact O-CE 3.29Å
415	F	93	Very high	90.5	Very high	3 Å²	3	64.2 Å²	64.2	1%	0.013	32%	0.322	C	S	.	.	B	Isolated β-bridge	trans	-151.9	153.5	178.5	47.5	-94.3	0	0	0	111.5	A401 Y405 L413 E419 F421 K437 Y444 Y448	A401-F415 HydrophobicContact CB-CD2 3.47Å; A401-F415 VanDerWaalsContact CB-CD2 3.47Å; A401-F415 HydrophobicContact CB-CE2 3.99Å; A401-F415 HydrophobicContact CB-CG 4.35Å; Y405-F415 VanDerWaalsContact CB-CZ 3.41Å; Y405-F415 HydrophobicContact CD1-CD1 4.5Å; Y405-F415 AromaticContact CD1-CE1 3.8Å; Y405-F415 HydrophobicContact CD1-CE1 3.8Å; Y405-F415 AromaticContact CD1-CZ 3.96Å; Y405-F415 HydrophobicContact CD1-CZ 3.96Å; Y405-F415 HydrophobicContact CG-CE1 4.15Å; Y405-F415 HydrophobicContact CG-CE2 4.32Å; Y405-F415 AromaticContact CG-CZ 3.84Å; Y405-F415 HydrophobicContact CG-CZ 3.84Å; Y405-F415 PolarHBondContact N-O 3.5Å; Y405-F415 PolarHBondContact O-N 3.39Å; Y405-F415 VanDerWaalsContact O-O 3.08Å; L413-F415 HydrophobicContact CB-CD1 4.29Å; F415-E419 WeakPolarHBondContact CA-OE2 3.44Å; F415-E419 WeakPolarHBondContact CB-OE2 3.35Å; F415-F421 HydrophobicContact CB-CD1 4.46Å; F415-F421 HydrophobicContact CB-CE1 4.34Å; F415-F421 AromaticContact CD1-CE1 3.92Å; F415-F421 HydrophobicContact CD1-CE1 3.92Å; F415-F421 HydrophobicContact CD1-CZ 4.03Å; F415-F421 HydrophobicContact CD2-CE1 4.09Å; F415-F421 HydrophobicContact CE1-CE1 4.24Å; F415-F421 AromaticContact CE1-CZ 3.95Å; F415-F421 HydrophobicContact CE1-CZ 3.95Å; F415-F421 HydrophobicContact CE2-CE1 4.36Å; F415-F421 HydrophobicContact CG-CD1 4.42Å; F415-F421 AromaticContact CG-CE1 3.84Å; F415-F421 HydrophobicContact CG-CE1 3.84Å; F415-F421 HydrophobicContact CG-CZ 4.38Å; F415-F421 HydrophobicContact CZ-CE1 4.43Å; F415-F421 HydrophobicContact CZ-CZ 4.19Å; F415-K437 HydrophobicContact CB-CD 3.89Å; F415-Y444 HydrophobicContact CE1-CG 4.33Å; F415-Y448 HydrophobicContact CE2-CD1 4.32Å
416	K	91.4	Very high	90.4	Very high	90 Å²	90	69.8 Å²	69.8	39%	0.391	35%	0.353	S	S	.	.			trans	-99.1	152.9	173.8	-60.8	-56.6	-176.1	-165.7	0	110.8	A401 D404 D406 G418 E419	A401-K416 VanDerWaalsContact CB-O 3.22Å; A401-K416 WeakPolarHBondContact CB-O 3.3Å; D404-K416 HydrophobicContact CB-CD 4.18Å; D404-K416 WeakPolarHBondContact OD1-CA 3.35Å; D406-K416 IonicContact OD1-NZ 3.93Å; D406-K416 PolarHBondContact OD1-NZ 2.87Å; D406-K416 IonicContact OD2-NZ 2.84Å; K416-G418 PolarHBondContact O-N 3.05Å; K416-E419 HydrophobicContact CB-CG 4.14Å; K416-E419 PolarHBondContact N-OE2 2.94Å; K416-E419 VanDerWaalsContact O-CB 3.25Å; K416-E419 WeakPolarHBondContact O-CB 3.21Å; K416-E419 WeakPolarHBondContact O-CG 3.43Å; K416-E419 PolarHBondContact O-N 3.42Å
417	K	91	Very high	90.4	Very high	147 Å²	147	71.1 Å²	71.1	64%	0.639	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.1	128.8	176.7	177.5	175.9	-179.3	-177.6	0	109.8	L402 D404 E419	L402-K417 WeakPolarHBondContact O-CD 3.37Å; L402-K417 WeakPolarHBondContact O-CG 3.45Å; D404-K417 VanDerWaalsContact OD1-CB 3.31Å; D404-K417 WeakPolarHBondContact OD1-CB 3.46Å; D404-K417 PolarHBondContact OD1-N 3.46Å; K417-E419 VanDerWaalsContact C-N 3.33Å
418	G	91.3	Very high	90.3	Very high	33 Å²	33	68.6 Å²	68.6	34%	0.34	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.3	-12.7	-179	0	0	0	0	0	115	A401 K416	A401-G418 PolarHBondContact O-N 2.99Å; K416-G418 PolarHBondContact O-N 3.05Å
419	E	93.9	Very high	90.2	Very high	67 Å²	67	74.9 Å²	74.9	31%	0.313	38%	0.376	S	S	.	.			trans	-65	146.5	172.4	-68.5	-175.8	156.1	0	0	111.1	K400 A401 F415 K416 K417 K437	K400-E419 WeakPolarHBondContact CA-O 3.16Å; A401-E419 PolarHBondContact N-O 3.42Å; F415-E419 WeakPolarHBondContact CA-OE2 3.44Å; F415-E419 WeakPolarHBondContact CB-OE2 3.35Å; K416-E419 HydrophobicContact CB-CG 4.14Å; K416-E419 PolarHBondContact N-OE2 2.94Å; K416-E419 VanDerWaalsContact O-CB 3.25Å; K416-E419 WeakPolarHBondContact O-CB 3.21Å; K416-E419 WeakPolarHBondContact O-CG 3.43Å; K416-E419 PolarHBondContact O-N 3.42Å; K417-E419 VanDerWaalsContact C-N 3.33Å; E419-K437 IonicContact OE1-NZ 3.97Å; E419-K437 WeakPolarHBondContact OE2-CE 3.29Å; E419-K437 IonicContact OE2-NZ 2.76Å; E419-K437 PolarHBondContact OE2-NZ 3.38Å
420	I	93.7	Very high	90.1	Very high	84 Å²	84	74.8 Å²	74.8	43%	0.431	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	131.8	-179.6	-59	166.4	0	0	0	107.8	L398 V399 K400 Q452	L398-I420 HydrophobicContact CB-CG2 4.03Å; L398-I420 HydrophobicContact CD1-CG2 4.43Å; L398-I420 HydrophobicContact CD2-CG2 4.05Å; L398-I420 HydrophobicContact CG-CG2 4.4Å; V399-I420 VanDerWaalsContact O-CA 3.3Å; V399-I420 WeakPolarHBondContact O-CA 3.1Å; K400-I420 HydrophobicContact CG-CG1 4.49Å; I420-Q452 VanDerWaalsContact CG1-OE1 3.29Å
421	F	93.4	Very high	90.1	Very high	6 Å²	6	68.4 Å²	68.4	3%	0.026	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	172.2	177.8	61.3	-88.6	0	0	0	111	V399 A401 F415 R436 K437 Y444 A449	V399-F421 HydrophobicContact CG2-CD1 4.21Å; V399-F421 HydrophobicContact CG2-CD2 3.55Å; V399-F421 HydrophobicContact CG2-CE1 4.02Å; V399-F421 HydrophobicContact CG2-CE2 3.34Å; V399-F421 HydrophobicContact CG2-CG 3.99Å; V399-F421 HydrophobicContact CG2-CZ 3.6Å; V399-F421 WeakPolarHBondContact CG2-O 3.5Å; V399-F421 PolarHBondContact N-O 3.41Å; V399-F421 PolarHBondContact O-N 3.02Å; A401-F421 HydrophobicContact CB-CE1 4.25Å; F415-F421 HydrophobicContact CB-CD1 4.46Å; F415-F421 HydrophobicContact CB-CE1 4.34Å; F415-F421 AromaticContact CD1-CE1 3.92Å; F415-F421 HydrophobicContact CD1-CE1 3.92Å; F415-F421 HydrophobicContact CD1-CZ 4.03Å; F415-F421 HydrophobicContact CD2-CE1 4.09Å; F415-F421 HydrophobicContact CE1-CE1 4.24Å; F415-F421 AromaticContact CE1-CZ 3.95Å; F415-F421 HydrophobicContact CE1-CZ 3.95Å; F415-F421 HydrophobicContact CE2-CE1 4.36Å; F415-F421 HydrophobicContact CG-CD1 4.42Å; F415-F421 AromaticContact CG-CE1 3.84Å; F415-F421 HydrophobicContact CG-CE1 3.84Å; F415-F421 HydrophobicContact CG-CZ 4.38Å; F415-F421 HydrophobicContact CZ-CE1 4.43Å; F415-F421 HydrophobicContact CZ-CZ 4.19Å; F421-R436 WeakPolarHBondContact CB-O 3.31Å; F421-K437 HydrophobicContact CB-CB 3.83Å; F421-K437 HydrophobicContact CB-CD 4.47Å; F421-K437 HydrophobicContact CB-CG 4.05Å; F421-K437 HydrophobicContact CG-CB 4.49Å; F421-Y444 AromaticContact CE2-CD1 3.76Å; F421-Y444 HydrophobicContact CE2-CD1 3.76Å; F421-Y444 HydrophobicContact CE2-CD2 4.09Å; F421-Y444 AromaticContact CE2-CE1 3.64Å; F421-Y444 HydrophobicContact CE2-CE1 3.64Å; F421-Y444 AromaticContact CE2-CE2 3.99Å; F421-Y444 HydrophobicContact CE2-CE2 3.99Å; F421-Y444 AromaticContact CE2-CG 3.97Å; F421-Y444 HydrophobicContact CE2-CG 3.97Å; F421-Y444 AromaticContact CE2-CZ 3.75Å; F421-Y444 HydrophobicContact CZ-CD1 4.38Å; F421-Y444 AromaticContact CZ-CD2 3.95Å; F421-Y444 HydrophobicContact CZ-CD2 3.95Å; F421-Y444 HydrophobicContact CZ-CE1 4.45Å; F421-Y444 HydrophobicContact CZ-CE2 4.03Å; F421-Y444 HydrophobicContact CZ-CG 4.13Å; F421-A449 HydrophobicContact CE1-CB 4.25Å; F421-A449 HydrophobicContact CZ-CB 3.8Å
422	E	94.1	Very high	90.1	Very high	43 Å²	43	64.3 Å²	64.3	20%	0.201	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	125.7	-171.8	-174.7	177.3	-151.6	0	0	110.5	G396 L424 G435 R436	G396-E422 VanDerWaalsContact CA-CG 3.46Å; G396-E422 WeakPolarHBondContact CA-OE1 3.5Å; G396-E422 PolarHBondContact N-OE1 3.04Å; E422-L424 HydrophobicContact CG-CD2 4.12Å; E422-G435 CarbonylContact O-C 3.47Å; E422-G435 WeakPolarHBondContact O-CA 3.29Å; E422-R436 HydrophobicContact CB-CB 4.34Å; E422-R436 PolarHBondContact N-O 3.17Å; E422-R436 PolarHBondContact O-N 3.4Å; E422-R436 IonicContact OE2-NH1 3.31Å
423	K	93.2	Very high	90.1	Very high	37 Å²	37	64.3 Å²	64.3	16%	0.161	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	126.2	169.7	178.1	178	175.6	-173.2	0	109.9	G396 V397 V399 E425 D426 Y444	G396-K423 CarbonylContact C-O 3.41Å; G396-K423 WeakPolarHBondContact CA-O 3.4Å; V397-K423 PolarHBondContact N-O 2.83Å; V397-K423 VanDerWaalsContact N-O 3.08Å; V397-K423 WeakPolarHBondContact O-CB 3.44Å; V397-K423 PolarHBondContact O-N 3.24Å; V399-K423 HydrophobicContact CG1-CB 3.72Å; V399-K423 HydrophobicContact CG1-CD 4.19Å; V399-K423 HydrophobicContact CG2-CB 4.37Å; K423-E425 WeakPolarHBondContact CE-O 3.47Å; K423-D426 WeakPolarHBondContact CE-OD1 3.46Å; K423-D426 IonicContact NZ-OD1 3.61Å; K423-D426 PolarHBondContact NZ-OD1 3.35Å; K423-Y444 WeakPolarHBondContact CB-OH 3.32Å; K423-Y444 WeakPolarHBondContact CD-OH 3.33Å; K423-Y444 VanDerWaalsContact CG-OH 3.27Å; K423-Y444 WeakPolarHBondContact CG-OH 3.45Å
424	L	91.7	Very high	90.2	Very high	54 Å²	54	67.2 Å²	67.2	28%	0.283	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	-39.3	-177.5	-62.3	-179.5	0	0	0	113.4	E422 K434 R436 T441	E422-L424 HydrophobicContact CG-CD2 4.12Å; L424-K434 PolarHBondContact N-O 2.7Å; L424-R436 HydrophobicContact CD1-CB 4.03Å; L424-R436 HydrophobicContact CG-CB 4.32Å; L424-T441 HydrophobicContact CD1-CG2 3.76Å
425	E	91.1	Very high	90.2	Very high	105 Å²	105	65 Å²	65	49%	0.491	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	149.6	179.3	-60.5	172.2	-157.2	0	0	109.8	K423 K434	K423-E425 WeakPolarHBondContact CE-O 3.47Å; E425-K434 HydrophobicContact CB-CB 3.81Å; E425-K434 HydrophobicContact CG-CB 4.11Å; E425-K434 HydrophobicContact CG-CD 4.06Å; E425-K434 PolarHBondContact N-O 2.81Å; E425-K434 VanDerWaalsContact N-O 3.16Å; E425-K434 WeakPolarHBondContact OE1-CD 3.28Å; E425-K434 IonicContact OE1-NZ 3.8Å; E425-K434 PolarHBondContact OE1-NZ 3.47Å
426	D	89.1	Confident	90.3	Very high	125 Å²	125	68.2 Å²	68.2	67%	0.668	33%	0.334	S	S	*	.			trans	-70.2	174.3	175.5	-73.3	-47.8	0	0	0	112.4	K423 D428	K423-D426 WeakPolarHBondContact CE-OD1 3.46Å; K423-D426 IonicContact NZ-OD1 3.61Å; K423-D426 PolarHBondContact NZ-OD1 3.35Å; D426-D428 PolarHBondContact O-N 3.22Å
427	E	89.6	Confident	90.3	Very high	126 Å²	126	65.5 Å²	65.5	59%	0.589	32%	0.322	S	S	*	.			trans	-58.9	124.8	179.2	-175.7	176.1	164	0	0	110.7	G431 W432 A446	E427-G431 WeakPolarHBondContact OE1-CA 3.41Å; E427-W432 CarbonylContact C-O 3.58Å; E427-W432 WeakPolarHBondContact CA-O 3.32Å; E427-A446 HydrophobicContact CB-CB 4.05Å; E427-A446 HydrophobicContact CG-CB 3.74Å; E427-A446 WeakPolarHBondContact OE2-CB 3.47Å
428	D	85.9	Confident	90.1	Very high	53 Å²	53	65.1 Å²	65.1	28%	0.283	33%	0.327	S	S	.	.			trans	-75.3	174.6	172.7	80.8	-11.6	0	0	0	111.6	D426 Q430 G431 W432	D426-D428 PolarHBondContact O-N 3.22Å; D428-Q430 PolarHBondContact O-N 2.9Å; D428-Q430 VanDerWaalsContact OD1-C 3.27Å; D428-Q430 VanDerWaalsContact OD1-CA 3.29Å; D428-Q430 WeakPolarHBondContact OD1-CA 3.13Å; D428-Q430 WeakPolarHBondContact OD1-CB 3.41Å; D428-Q430 PolarHBondContact OD1-N 3.15Å; D428-Q430 PolarHBondContact OD2-NE2 3.48Å; D428-G431 PolarHBondContact O-N 3.31Å; D428-G431 VanDerWaalsContact O-N 3.14Å; D428-G431 PolarHBondContact OD1-N 2.88Å; D428-W432 PolarHBondContact N-O 2.93Å; D428-W432 PolarHBondContact OD1-N 3.39Å
429	E	79.7	Confident	90	Very high	206 Å²	206	66.7 Å²	66.7	96%	0.963	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-8.4	178.2	-63.7	-178.7	176.7	0	0	114
430	Q	79.5	Confident	89.8	Confident	88 Å²	88	67.8 Å²	67.8	41%	0.411	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.3	2.1	-172.4	-54.2	162.6	105.4	0	0	112.1	N163 D428 W432	N163-Q430 PolarHBondContact OD1-OE1 3.27Å; D428-Q430 PolarHBondContact O-N 2.9Å; D428-Q430 VanDerWaalsContact OD1-C 3.27Å; D428-Q430 VanDerWaalsContact OD1-CA 3.29Å; D428-Q430 WeakPolarHBondContact OD1-CA 3.13Å; D428-Q430 WeakPolarHBondContact OD1-CB 3.41Å; D428-Q430 PolarHBondContact OD1-N 3.15Å; D428-Q430 PolarHBondContact OD2-NE2 3.48Å; Q430-W432 VanDerWaalsContact O-CD1 3.32Å
431	G	84.2	Confident	89.7	Confident	20 Å²	20	66.8 Å²	66.8	21%	0.206	35%	0.352	C	S	.	.	S	Bend	trans	88.1	18.3	177.4	0	0	0	0	0	115.3	E427 D428 A446	E427-G431 WeakPolarHBondContact OE1-CA 3.41Å; D428-G431 PolarHBondContact O-N 3.31Å; D428-G431 VanDerWaalsContact O-N 3.14Å; D428-G431 PolarHBondContact OD1-N 2.88Å; G431-A446 WeakPolarHBondContact O-CB 3.47Å; G431-A446 PolarHBondContact O-N 3.24Å
432	W	91.4	Very high	89.7	Confident	6 Å²	6	66.7 Å²	66.7	2%	0.023	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	136.2	-177.9	-66.2	77.1	0	0	0	111.5	R166 Y405 E412 E427 D428 Q430 L443 Y444 P445	R166-W432 HydrophobicContact CG-CZ2 3.63Å; R166-W432 VanDerWaalsContact NH1-NE1 3.17Å; Y405-W432 VanDerWaalsContact OH-CH2 3.23Å; Y405-W432 WeakPolarHBondContact OH-CH2 3.22Å; E412-W432 HydrophobicContact CG-CH2 4.26Å; E412-W432 HydrophobicContact CG-CZ3 3.91Å; E412-W432 VanDerWaalsContact OE1-CH2 3.29Å; E412-W432 WeakPolarHBondContact OE1-CH2 3.4Å; E427-W432 CarbonylContact C-O 3.58Å; E427-W432 WeakPolarHBondContact CA-O 3.32Å; D428-W432 PolarHBondContact N-O 2.93Å; D428-W432 PolarHBondContact OD1-N 3.39Å; Q430-W432 VanDerWaalsContact O-CD1 3.32Å; W432-L443 HydrophobicContact CE3-CB 3.79Å; W432-L443 HydrophobicContact CZ3-CB 4.38Å; W432-Y444 WeakPolarHBondContact CA-O 3.37Å; W432-Y444 VanDerWaalsContact CE3-C 3.43Å; W432-P445 HydrophobicContact CE3-CG 4.38Å; W432-P445 HydrophobicContact CH2-CG 4.18Å; W432-P445 HydrophobicContact CZ3-CG 4.02Å
433	C	91.6	Very high	89.6	Confident	5 Å²	5	66.8 Å²	66.8	3%	0.034	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	156	168.1	-69.2	0	0	0	0	109.1	L443 Y444	C433-L443 CarbonylContact O-C 3.58Å; C433-L443 WeakPolarHBondContact O-CA 3.48Å; C433-Y444 HydrophobicContact CB-CD1 4.07Å; C433-Y444 HydrophobicContact CB-CD2 4.29Å; C433-Y444 HydrophobicContact CB-CE1 3.45Å; C433-Y444 VanDerWaalsContact CB-CE1 3.45Å; C433-Y444 HydrophobicContact CB-CE2 3.7Å; C433-Y444 HydrophobicContact CB-CG 4.46Å; C433-Y444 WeakPolarHBondContact CB-OH 3.1Å; C433-Y444 PolarHBondContact N-O 3.44Å; C433-Y444 WeakPolarHBondContact O-CD1 3.3Å; C433-Y444 PolarHBondContact O-N 3.09Å
434	K	93.2	Very high	89.6	Confident	68 Å²	68	65.2 Å²	65.2	30%	0.296	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	132.1	169	-164.8	-179.3	-178	175.7	0	109.7	L424 E425 T441 L443	L424-K434 PolarHBondContact N-O 2.7Å; E425-K434 HydrophobicContact CB-CB 3.81Å; E425-K434 HydrophobicContact CG-CB 4.11Å; E425-K434 HydrophobicContact CG-CD 4.06Å; E425-K434 PolarHBondContact N-O 2.81Å; E425-K434 VanDerWaalsContact N-O 3.16Å; E425-K434 WeakPolarHBondContact OE1-CD 3.28Å; E425-K434 IonicContact OE1-NZ 3.8Å; E425-K434 PolarHBondContact OE1-NZ 3.47Å; K434-T441 HydrophobicContact CD-CG2 4.28Å; K434-T441 HydrophobicContact CG-CG2 4.02Å; K434-L443 HydrophobicContact CB-CD2 4.14Å; K434-L443 HydrophobicContact CG-CD2 4.32Å
435	G	92.5	Very high	89.5	Confident	0 Å²	0	62.9 Å²	62.9	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	176.1	179.5	0	0	0	0	0	112.6	E422 T441 G442	E422-G435 CarbonylContact O-C 3.47Å; E422-G435 WeakPolarHBondContact O-CA 3.29Å; G435-T441 WeakPolarHBondContact O-CA 3.46Å; G435-G442 PolarHBondContact N-O 3.07Å; G435-G442 PolarHBondContact O-N 2.93Å
436	R	95	Very high	89.5	Confident	70 Å²	70	58.9 Å²	58.9	26%	0.264	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	128.3	171.6	179.9	-173.6	-66.4	166.2	-7.7	110.1	F421 E422 L424 V440	F421-R436 WeakPolarHBondContact CB-O 3.31Å; E422-R436 HydrophobicContact CB-CB 4.34Å; E422-R436 PolarHBondContact N-O 3.17Å; E422-R436 PolarHBondContact O-N 3.4Å; E422-R436 IonicContact OE2-NH1 3.31Å; L424-R436 HydrophobicContact CD1-CB 4.03Å; L424-R436 HydrophobicContact CG-CB 4.32Å; R436-V440 CarbonylContact C-O 3.59Å; R436-V440 VanDerWaalsContact CA-O 3.24Å; R436-V440 WeakPolarHBondContact CA-O 3.5Å
437	K	91.4	Very high	89.5	Confident	33 Å²	33	56.5 Å²	56.5	14%	0.143	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	131.2	175.8	-176.1	-177.3	-179.7	-73.3	0	109	L413 S414 F415 E419 F421 G439 V440	L413-K437 HydrophobicContact CD1-CB 4.34Å; L413-K437 HydrophobicContact CD2-CB 4.45Å; S414-K437 VanDerWaalsContact O-CD 3.28Å; S414-K437 WeakPolarHBondContact O-CD 3.32Å; S414-K437 WeakPolarHBondContact O-CE 3.29Å; F415-K437 HydrophobicContact CB-CD 3.89Å; E419-K437 IonicContact OE1-NZ 3.97Å; E419-K437 WeakPolarHBondContact OE2-CE 3.29Å; E419-K437 IonicContact OE2-NZ 2.76Å; E419-K437 PolarHBondContact OE2-NZ 3.38Å; F421-K437 HydrophobicContact CB-CB 3.83Å; F421-K437 HydrophobicContact CB-CD 4.47Å; F421-K437 HydrophobicContact CB-CG 4.05Å; F421-K437 HydrophobicContact CG-CB 4.49Å; K437-G439 PolarHBondContact O-N 3.35Å; K437-G439 VanDerWaalsContact O-N 3.09Å; K437-V440 PolarHBondContact N-O 3.06Å; K437-V440 PolarHBondContact O-N 3.21Å
438	D	87.3	Confident	89.5	Confident	139 Å²	139	51 Å²	51	74%	0.743	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.3	35.7	178.3	-52.6	-37.9	0	0	0	113.7	V440	D438-V440 VanDerWaalsContact C-N 3.25Å; D438-V440 PolarHBondContact O-N 3.03Å
439	G	88.3	Confident	89.7	Confident	65 Å²	65	49.1 Å²	49.1	67%	0.67	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.9	-12.8	-177.8	0	0	0	0	0	115.4	K437	K437-G439 PolarHBondContact O-N 3.35Å; K437-G439 VanDerWaalsContact O-N 3.09Å
440	V	89.7	Confident	90.3	Very high	90 Å²	90	42.9 Å²	42.9	55%	0.545	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	132.4	177.1	-175.6	0	0	0	0	109.6	L413 R436 K437 D438	L413-V440 HydrophobicContact CD2-CB 4.25Å; L413-V440 HydrophobicContact CD2-CG1 4.04Å; L413-V440 WeakPolarHBondContact CD2-O 3.45Å; R436-V440 CarbonylContact C-O 3.59Å; R436-V440 VanDerWaalsContact CA-O 3.24Å; R436-V440 WeakPolarHBondContact CA-O 3.5Å; K437-V440 PolarHBondContact N-O 3.06Å; K437-V440 PolarHBondContact O-N 3.21Å; D438-V440 VanDerWaalsContact C-N 3.25Å; D438-V440 PolarHBondContact O-N 3.03Å
441	T	92.9	Very high	90.8	Very high	63 Å²	63	42.7 Å²	42.7	39%	0.387	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	134.7	173.5	-58.6	0	0	0	0	109.1	L424 K434 G435	L424-T441 HydrophobicContact CD1-CG2 3.76Å; K434-T441 HydrophobicContact CD-CG2 4.28Å; K434-T441 HydrophobicContact CG-CG2 4.02Å; G435-T441 WeakPolarHBondContact O-CA 3.46Å
442	G	92.4	Very high	90.7	Very high	5 Å²	5	45.1 Å²	45.1	5%	0.052	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-168	175.9	179	0	0	0	0	0	112.5	D411 G435	D411-G442 CarbonylContact O-C 3.57Å; D411-G442 WeakPolarHBondContact O-CA 3.49Å; G435-G442 PolarHBondContact N-O 3.07Å; G435-G442 PolarHBondContact O-N 2.93Å
443	L	91.9	Very high	89.5	Confident	44 Å²	44	48.9 Å²	48.9	23%	0.23	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	148.2	179.4	-60.3	175.2	0	0	0	111.2	D411 E412 L413 W432 C433 K434	D411-L443 PolarHBondContact O-N 3.08Å; E412-L443 CarbonylContact C-O 3.54Å; E412-L443 WeakPolarHBondContact CA-O 3.5Å; L413-L443 PolarHBondContact N-O 3.45Å; W432-L443 HydrophobicContact CE3-CB 3.79Å; W432-L443 HydrophobicContact CZ3-CB 4.38Å; C433-L443 CarbonylContact O-C 3.58Å; C433-L443 WeakPolarHBondContact O-CA 3.48Å; K434-L443 HydrophobicContact CB-CD2 4.14Å; K434-L443 HydrophobicContact CG-CD2 4.32Å
444	Y	92.3	Very high	87.7	Confident	4 Å²	4	59 Å²	59	2%	0.016	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	151.6	171.4	68.5	-84.2	0	0	0	111.3	F415 F421 K423 W432 C433 A446 A449	F415-Y444 HydrophobicContact CE1-CG 4.33Å; F421-Y444 AromaticContact CE2-CD1 3.76Å; F421-Y444 HydrophobicContact CE2-CD1 3.76Å; F421-Y444 HydrophobicContact CE2-CD2 4.09Å; F421-Y444 AromaticContact CE2-CE1 3.64Å; F421-Y444 HydrophobicContact CE2-CE1 3.64Å; F421-Y444 AromaticContact CE2-CE2 3.99Å; F421-Y444 HydrophobicContact CE2-CE2 3.99Å; F421-Y444 AromaticContact CE2-CG 3.97Å; F421-Y444 HydrophobicContact CE2-CG 3.97Å; F421-Y444 AromaticContact CE2-CZ 3.75Å; F421-Y444 HydrophobicContact CZ-CD1 4.38Å; F421-Y444 AromaticContact CZ-CD2 3.95Å; F421-Y444 HydrophobicContact CZ-CD2 3.95Å; F421-Y444 HydrophobicContact CZ-CE1 4.45Å; F421-Y444 HydrophobicContact CZ-CE2 4.03Å; F421-Y444 HydrophobicContact CZ-CG 4.13Å; K423-Y444 WeakPolarHBondContact CB-OH 3.32Å; K423-Y444 WeakPolarHBondContact CD-OH 3.33Å; K423-Y444 VanDerWaalsContact CG-OH 3.27Å; K423-Y444 WeakPolarHBondContact CG-OH 3.45Å; W432-Y444 WeakPolarHBondContact CA-O 3.37Å; W432-Y444 VanDerWaalsContact CE3-C 3.43Å; C433-Y444 HydrophobicContact CB-CD1 4.07Å; C433-Y444 HydrophobicContact CB-CD2 4.29Å; C433-Y444 HydrophobicContact CB-CE1 3.45Å; C433-Y444 VanDerWaalsContact CB-CE1 3.45Å; C433-Y444 HydrophobicContact CB-CE2 3.7Å; C433-Y444 HydrophobicContact CB-CG 4.46Å; C433-Y444 WeakPolarHBondContact CB-OH 3.1Å; C433-Y444 PolarHBondContact N-O 3.44Å; C433-Y444 WeakPolarHBondContact O-CD1 3.3Å; C433-Y444 PolarHBondContact O-N 3.09Å; Y444-A446 PolarHBondContact O-N 3.1Å; Y444-A449 HydrophobicContact CD2-CB 4.31Å; Y444-A449 HydrophobicContact CE2-CB 3.82Å
445	P	90.7	Very high	87.4	Confident	6 Å²	6	58.6 Å²	58.6	4%	0.039	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	131.7	179.6	-19.4	31.6	0	0	0	111.8	Y405 W432 N447 Y448	Y405-P445 HydrophobicContact CD2-CG 4.13Å; Y405-P445 HydrophobicContact CE2-CG 3.64Å; W432-P445 HydrophobicContact CE3-CG 4.38Å; W432-P445 HydrophobicContact CH2-CG 4.18Å; W432-P445 HydrophobicContact CZ3-CG 4.02Å; P445-N447 WeakPolarHBondContact CB-OD1 3.32Å; P445-N447 PolarHBondContact O-N 2.8Å; P445-N447 VanDerWaalsContact O-N 3.11Å; P445-Y448 HydrophobicContact CB-CD2 3.69Å; P445-Y448 HydrophobicContact CB-CE2 4.33Å; P445-Y448 HydrophobicContact CB-CG 4.22Å; P445-Y448 HydrophobicContact CG-CD2 4.01Å; P445-Y448 HydrophobicContact CG-CE2 4.42Å; P445-Y448 HydrophobicContact CG-CG 4.3Å; P445-Y448 WeakPolarHBondContact O-CB 3.41Å; P445-Y448 PolarHBondContact O-N 2.83Å
446	A	90.1	Very high	87.1	Confident	21 Å²	21	61.6 Å²	61.6	17%	0.174	37%	0.367	C	S	.	.	G	3₁₀ helix	trans	-58.5	-30.3	-175.4	0	0	0	0	0	113.4	E427 G431 Y444 Y448	E427-A446 HydrophobicContact CB-CB 4.05Å; E427-A446 HydrophobicContact CG-CB 3.74Å; E427-A446 WeakPolarHBondContact OE2-CB 3.47Å; G431-A446 WeakPolarHBondContact O-CB 3.47Å; G431-A446 PolarHBondContact O-N 3.24Å; Y444-A446 PolarHBondContact O-N 3.1Å; A446-Y448 VanDerWaalsContact C-N 3.32Å; A446-Y448 PolarHBondContact O-N 3.46Å
447	N	89.5	Confident	86.7	Confident	74 Å²	74	61.2 Å²	61.2	40%	0.396	37%	0.373	S	S	.	.	G	3₁₀ helix	trans	-83.6	2.5	178.9	68.1	-30.9	0	0	0	114.8	P445	P445-N447 WeakPolarHBondContact CB-OD1 3.32Å; P445-N447 PolarHBondContact O-N 2.8Å; P445-N447 VanDerWaalsContact O-N 3.11Å
448	Y	91	Very high	86.4	Confident	10 Å²	10	62.8 Å²	62.8	4%	0.039	39%	0.386	C	S	.	.	G	3₁₀ helix	trans	-97.6	-7.7	178.5	-89.5	-116.7	0	0	0	113.9	N177 L402 Y403 Y405 F415 P445 A446	N177-Y448 PolarHBondContact ND2-OH 3.41Å; L402-Y448 PolarHBondContact N-O 3.39Å; Y403-Y448 HydrophobicContact CD2-CD1 4.16Å; Y403-Y448 HydrophobicContact CD2-CD2 4.49Å; Y403-Y448 HydrophobicContact CD2-CE1 4.37Å; Y403-Y448 HydrophobicContact CD2-CG 4.24Å; Y403-Y448 HydrophobicContact CG-CD1 4.46Å; Y403-Y448 HydrophobicContact CG-CE1 4.44Å; Y405-Y448 AromaticContact CD2-CD1 3.84Å; Y405-Y448 HydrophobicContact CD2-CD1 3.84Å; Y405-Y448 AromaticContact CD2-CE1 3.7Å; Y405-Y448 HydrophobicContact CD2-CE1 3.7Å; Y405-Y448 HydrophobicContact CD2-CG 4.49Å; Y405-Y448 HydrophobicContact CG-CD1 4.18Å; Y405-Y448 HydrophobicContact CG-CE1 4.38Å; F415-Y448 HydrophobicContact CE2-CD1 4.32Å; P445-Y448 HydrophobicContact CB-CD2 3.69Å; P445-Y448 HydrophobicContact CB-CE2 4.33Å; P445-Y448 HydrophobicContact CB-CG 4.22Å; P445-Y448 HydrophobicContact CG-CD2 4.01Å; P445-Y448 HydrophobicContact CG-CE2 4.42Å; P445-Y448 HydrophobicContact CG-CG 4.3Å; P445-Y448 WeakPolarHBondContact O-CB 3.41Å; P445-Y448 PolarHBondContact O-N 2.83Å; A446-Y448 VanDerWaalsContact C-N 3.32Å; A446-Y448 PolarHBondContact O-N 3.46Å
449	A	89.9	Confident	86.4	Confident	14 Å²	14	58.1 Å²	58.1	12%	0.116	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	146.3	177.5	0	0	0	0	0	111.3	V399 K400 F421 Y444	V399-A449 HydrophobicContact CB-CB 3.91Å; V399-A449 HydrophobicContact CG2-CB 3.96Å; K400-A449 VanDerWaalsContact O-CA 3.27Å; K400-A449 WeakPolarHBondContact O-CA 3.41Å; F421-A449 HydrophobicContact CE1-CB 4.25Å; F421-A449 HydrophobicContact CZ-CB 3.8Å; Y444-A449 HydrophobicContact CD2-CB 4.31Å; Y444-A449 HydrophobicContact CE2-CB 3.82Å
450	V	91.9	Very high	86.2	Confident	75 Å²	75	57.6 Å²	57.6	46%	0.455	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	142.4	174.2	67	0	0	0	0	109.4	V399 K400 L402 Q452	V399-V450 CarbonylContact C-O 3.52Å; V399-V450 VanDerWaalsContact CA-O 3.25Å; V399-V450 WeakPolarHBondContact CA-O 3.32Å; K400-V450 HydrophobicContact CB-CG1 4.41Å; K400-V450 PolarHBondContact N-O 3.4Å; K400-V450 PolarHBondContact O-N 3.21Å; L402-V450 HydrophobicContact CD1-CB 4.35Å; L402-V450 HydrophobicContact CD2-CB 4.15Å; L402-V450 HydrophobicContact CD2-CG1 3.74Å; L402-V450 HydrophobicContact CG-CB 4.39Å; L402-V450 HydrophobicContact CG-CG1 4.37Å; V450-Q452 PolarHBondContact O-N 3.14Å
451	V	89.5	Confident	86	Confident	84 Å²	84	55.3 Å²	55.3	51%	0.509	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.3	123.9	172	174.3	0	0	0	0	108.7	V397 V399 A453	V397-V451 HydrophobicContact CG1-CG1 3.62Å; V397-V451 HydrophobicContact CG1-CG2 4.31Å; V399-V451 HydrophobicContact CG1-CG2 4.27Å; V451-A453 PolarHBondContact O-N 3.3Å
452	Q	82.1	Confident	85.4	Confident	72 Å²	72	54.7 Å²	54.7	34%	0.336	33%	0.325	S	S	.	.			trans	-81.5	102.6	174.8	-173.6	169	-9.9	0	0	107.9	L398 I420 V450 N454	L398-Q452 PolarHBondContact O-N 3.18Å; I420-Q452 VanDerWaalsContact CG1-OE1 3.29Å; V450-Q452 PolarHBondContact O-N 3.14Å; Q452-N454 PolarHBondContact O-N 3.28Å
453	A	66.1	Low	84.9	Confident	85 Å²	85	58.8 Å²	58.8	70%	0.702	35%	0.348	S	S	*	.			trans	-64	130	164.5	0	0	0	0	0	108	V451	V451-A453 PolarHBondContact O-N 3.3Å
454	N	53.4	Low	84.2	Confident	217 Å²	217	60.2 Å²	60.2	100%	1.16	36%	0.358	S	S	*	.			trans	-59.5	0	176.2	-85.8	-8.3	0	0	0	112.5	Q452	Q452-N454 PolarHBondContact O-N 3.28Å

Retrieved 454 of 454 residues in 945.6 ms (Link to these results)

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