A0A096NKG3_PAPAN Loading...

Protein kinase C and casein kinase substrate in neurons 2

AlphaFold DB , UniProt , Accession A0A096NKG3, Species PAPAN (Papio anubis, Olive baboon), Gene PACSIN2, Length 486 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	34.6	Very low	34.8	Very low	243 Å²	243	136.5 Å²	136.5	100%	1.197	79%	0.785	S	S	*	*				0	115	0	-70.1	178.4	-170	0	0	107.1
2	S	34.5	Very low	35.6	Very low	110 Å²	110	140.1 Å²	140.1	77%	0.769	79%	0.79	S	S	*	*			trans	-71.8	125.9	-173.3	55.5	0	0	0	0	111	T4	S2-T4 PolarHBondContact O-N 2.81Å
3	V	34	Very low	35.9	Very low	126 Å²	126	138.7 Å²	138.7	76%	0.764	79%	0.786	S	S	*	*			trans	-86.1	103.4	165.2	-178.7	0	0	0	0	106.6	Y5	V3-Y5 PolarHBondContact O-N 2.89Å
4	T	31.8	Very low	37.4	Very low	125 Å²	125	135.8 Å²	135.8	77%	0.767	78%	0.779	S	S	*	*			trans	-73.6	107.1	166.5	41.2	0	0	0	0	107.7	S2 D6	S2-T4 PolarHBondContact O-N 2.81Å; T4-D6 PolarHBondContact O-N 3.12Å
5	Y	32	Very low	40.4	Very low	217 Å²	217	129.7 Å²	129.7	85%	0.851	75%	0.747	S	S	*	*			trans	-67.3	111.2	161.5	-106.9	-96.3	0	0	0	106.8	V3 D7	V3-Y5 PolarHBondContact O-N 2.89Å; Y5-D7 PolarHBondContact O-N 3.45Å
6	D	30	Very low	43.5	Very low	137 Å²	137	128.7 Å²	128.7	73%	0.733	74%	0.739	S	S	*	*			trans	-65.4	109.8	169.9	-172	15.5	0	0	0	108.1	T4 S8	T4-D6 PolarHBondContact O-N 3.12Å; D6-S8 PolarHBondContact O-N 3.26Å
7	D	38.8	Very low	46.6	Very low	141 Å²	141	123.7 Å²	123.7	75%	0.754	71%	0.713	S	S	*	*			trans	-77.3	69.7	171.7	-142.7	3.3	0	0	0	105.7	Y5 V9	Y5-D7 PolarHBondContact O-N 3.45Å; D7-V9 PolarHBondContact O-N 3.17Å
8	S	35.2	Very low	49.4	Very low	93 Å²	93	119.6 Å²	119.6	65%	0.65	69%	0.686	S	S	*	*			trans	-69.9	88.9	173.1	73.2	0	0	0	0	107.2	D6 G10	D6-S8 PolarHBondContact O-N 3.26Å; S8-G10 PolarHBondContact O-N 3Å
9	V	38.6	Very low	52	Low	120 Å²	120	117.6 Å²	117.6	73%	0.727	67%	0.666	S	S	*	*			trans	-33.4	110.6	160.4	-179.3	0	0	0	0	107.4	D7 V11	D7-V9 PolarHBondContact O-N 3.17Å; V9-V11 PolarHBondContact O-N 3.41Å
10	G	37.5	Very low	54.2	Low	65 Å²	65	115.5 Å²	115.5	67%	0.67	65%	0.65	S	S	*	*			trans	-55.4	108.3	173.4	0	0	0	0	0	107.4	S8 E12	S8-G10 PolarHBondContact O-N 3Å; G10-E12 VanDerWaalsContact C-N 3.32Å; G10-E12 PolarHBondContact O-N 3.17Å
11	V	35.5	Very low	56.2	Low	124 Å²	124	113.5 Å²	113.5	75%	0.752	64%	0.641	S	S	*	*			trans	-57.3	103.6	166.6	177.8	0	0	0	0	104.8	V9 V13	V9-V11 PolarHBondContact O-N 3.41Å; V11-V13 HydrophobicContact CG1-CG2 4.21Å; V11-V13 PolarHBondContact O-N 3.01Å
12	E	44.2	Very low	59.1	Low	180 Å²	180	103 Å²	103	84%	0.841	60%	0.595	S	S	*	*			trans	-61.8	93.9	163.2	-84.4	-178.6	167.8	0	0	105.4	G10 S14	G10-E12 VanDerWaalsContact C-N 3.32Å; G10-E12 PolarHBondContact O-N 3.17Å; E12-S14 PolarHBondContact O-N 2.96Å
13	V	40	Very low	62.1	Low	122 Å²	122	98.9 Å²	98.9	74%	0.739	56%	0.564	S	S	*	*			trans	-65.6	85.6	163.1	-176.8	0	0	0	0	105	V11 S15	V11-V13 HydrophobicContact CG1-CG2 4.21Å; V11-V13 PolarHBondContact O-N 3.01Å; V13-S15 VanDerWaalsContact C-N 3.31Å; V13-S15 PolarHBondContact O-N 3.47Å
14	S	57.3	Low	65.2	Low	98 Å²	98	93.7 Å²	93.7	69%	0.685	53%	0.531	S	S	*	.			trans	-57.1	100.9	165.6	159.7	0	0	0	0	106	E12	E12-S14 PolarHBondContact O-N 2.96Å
15	S	81.3	Confident	68.3	Low	44 Å²	44	93.6 Å²	93.6	31%	0.308	52%	0.52	S	S	.	.			trans	-66	139.8	177.4	81.8	0	0	0	0	108.7	V13 S17 E20 N23	V13-S15 VanDerWaalsContact C-N 3.31Å; V13-S15 PolarHBondContact O-N 3.47Å; S15-S17 PolarHBondContact O-N 2.84Å; S15-S17 WeakPolarHBondContact OG-CB 3.44Å; S15-E20 WeakPolarHBondContact OG-CG 3.29Å; S15-E20 PolarHBondContact OG-OE1 3.33Å; S15-N23 PolarHBondContact O-ND2 3.12Å
16	D	90.8	Very high	71.5	Confident	114 Å²	114	90.5 Å²	90.5	61%	0.61	51%	0.507	S	S	*	.			trans	-75.7	16.8	173.2	-102.9	-1	0	0	0	112.2	R26	D16-R26 IonicContact OD1-NH2 3.18Å; D16-R26 PolarHBondContact OD1-NH2 3.23Å; D16-R26 IonicContact OD2-CZ 2.71Å; D16-R26 IonicContact OD2-NH2 2.79Å; D16-R26 PolarHBondContact OD2-NH2 2.87Å
17	S	95.9	Very high	74.7	Confident	44 Å²	44	84.6 Å²	84.6	31%	0.308	48%	0.476	S	S	.	.			trans	-63.8	139.9	-176.3	178	0	0	0	0	111.2	S15 W19 E20 N23	S15-S17 PolarHBondContact O-N 2.84Å; S15-S17 WeakPolarHBondContact OG-CB 3.44Å; S17-W19 PolarHBondContact O-N 3.39Å; S17-W19 PolarHBondContact OG-N 2.97Å; S17-E20 WeakPolarHBondContact O-CB 3.3Å; S17-E20 PolarHBondContact O-N 3.47Å; S17-E20 VanDerWaalsContact O-N 3.17Å; S17-N23 WeakPolarHBondContact O-CB 3.39Å; S17-N23 PolarHBondContact O-ND2 3.43Å
18	F	97.7	Very high	77.5	Confident	49 Å²	49	78.3 Å²	78.3	22%	0.215	44%	0.442	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-32.1	173.5	169.6	-98.9	0	0	0	112.9	E20 F138 M226 F230	F18-E20 VanDerWaalsContact C-N 3.26Å; F18-E20 PolarHBondContact O-N 3.4Å; F18-F138 HydrophobicContact CE2-CE1 4.14Å; F18-F138 HydrophobicContact CE2-CZ 4.35Å; F18-F138 AromaticContact CZ-CE1 3.79Å; F18-F138 HydrophobicContact CZ-CE1 3.79Å; F18-F138 HydrophobicContact CZ-CZ 4.37Å; F18-M226 HydrophobicContact CE1-CB 4.26Å; F18-M226 HydrophobicContact CE1-CE 3.88Å; F18-M226 HydrophobicContact CE2-CE 4.35Å; F18-M226 HydrophobicContact CZ-CE 3.65Å; F18-F230 AromaticContact CE2-CD2 3.99Å; F18-F230 HydrophobicContact CE2-CD2 3.99Å; F18-F230 HydrophobicContact CZ-CB 4.37Å; F18-F230 HydrophobicContact CZ-CD2 4.11Å
19	W	97.7	Very high	80.5	Confident	83 Å²	83	79.7 Å²	79.7	31%	0.314	44%	0.436	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-14.7	-176.3	-58.8	112.8	0	0	0	113.8	S17 Y222 M223 M226 E227	S17-W19 PolarHBondContact O-N 3.39Å; S17-W19 PolarHBondContact OG-N 2.97Å; W19-Y222 AromaticContact CE3-CE1 3.73Å; W19-Y222 HydrophobicContact CE3-CE1 3.73Å; W19-Y222 AromaticContact CE3-CZ 3.92Å; W19-Y222 HydrophobicContact CZ3-CE1 4.31Å; W19-Y222 PolarHBondContact O-OH 3.31Å; W19-M223 HydrophobicContact CE3-CG 4.38Å; W19-M223 HydrophobicContact CH2-CB 4.02Å; W19-M223 HydrophobicContact CH2-CE 4.12Å; W19-M223 HydrophobicContact CH2-CG 3.97Å; W19-M223 HydrophobicContact CZ2-CE 3.98Å; W19-M223 HydrophobicContact CZ3-CB 4.1Å; W19-M223 HydrophobicContact CZ3-CG 3.87Å; W19-M226 HydrophobicContact CZ3-CB 3.83Å; W19-M226 HydrophobicContact CZ3-CG 4.29Å; W19-E227 HydrophobicContact CH2-CG 4.05Å
20	E	96.4	Very high	83.4	Confident	75 Å²	75	77.5 Å²	77.5	35%	0.35	42%	0.415	S	S	.	.	S	Bend	trans	-68.6	153.3	174.9	-64.5	-69.1	174.7	0	0	111.3	S15 S17 F18 G22 N23 Q142	S15-E20 WeakPolarHBondContact OG-CG 3.29Å; S15-E20 PolarHBondContact OG-OE1 3.33Å; S17-E20 WeakPolarHBondContact O-CB 3.3Å; S17-E20 PolarHBondContact O-N 3.47Å; S17-E20 VanDerWaalsContact O-N 3.17Å; F18-E20 VanDerWaalsContact C-N 3.26Å; F18-E20 PolarHBondContact O-N 3.4Å; E20-G22 PolarHBondContact O-N 3.11Å; E20-G22 VanDerWaalsContact O-N 3.11Å; E20-N23 HydrophobicContact CB-CB 4.26Å; E20-N23 WeakPolarHBondContact CB-ND2 3.11Å; E20-N23 PolarHBondContact O-N 3.27Å; E20-N23 VanDerWaalsContact O-N 3.12Å; E20-Q142 PolarHBondContact O-NE2 3.25Å; E20-Q142 VanDerWaalsContact O-NE2 3.12Å
21	V	96.8	Very high	86.3	Confident	74 Å²	74	74.9 Å²	74.9	45%	0.448	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	118.8	-176.1	-177.3	0	0	0	0	110.6	W145 A146 L149	V21-W145 HydrophobicContact CG2-CE3 4.39Å; V21-W145 HydrophobicContact CG2-CZ3 3.93Å; V21-A146 HydrophobicContact CG1-CB 4.19Å; V21-A146 HydrophobicContact CG2-CB 3.95Å; V21-L149 HydrophobicContact CG2-CD2 4.06Å
22	G	95.7	Very high	89.2	Confident	23 Å²	23	71.7 Å²	71.7	24%	0.237	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	82.1	-3.1	179.8	0	0	0	0	0	116.4	E20 Y24 K25	E20-G22 PolarHBondContact O-N 3.11Å; E20-G22 VanDerWaalsContact O-N 3.11Å; G22-Y24 PolarHBondContact O-N 3.1Å; G22-K25 WeakPolarHBondContact O-CB 3.43Å; G22-K25 WeakPolarHBondContact O-CD 3.38Å; G22-K25 VanDerWaalsContact O-CG 3.29Å; G22-K25 WeakPolarHBondContact O-CG 3.39Å; G22-K25 PolarHBondContact O-N 3.23Å
23	N	97.6	Very high	91.8	Very high	23 Å²	23	65.8 Å²	65.8	12%	0.123	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-10.5	-179.4	-85.6	-3.9	0	0	0	114.2	S15 S17 E20 K25	S15-N23 PolarHBondContact O-ND2 3.12Å; S17-N23 WeakPolarHBondContact O-CB 3.39Å; S17-N23 PolarHBondContact O-ND2 3.43Å; E20-N23 HydrophobicContact CB-CB 4.26Å; E20-N23 WeakPolarHBondContact CB-ND2 3.11Å; E20-N23 PolarHBondContact O-N 3.27Å; E20-N23 VanDerWaalsContact O-N 3.12Å; N23-K25 PolarHBondContact O-N 3.19Å; N23-K25 VanDerWaalsContact O-N 3.08Å
24	Y	98.2	Very high	94.6	Very high	17 Å²	17	60.1 Å²	60.1	7%	0.067	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-14.8	167.5	65.6	-105.8	0	0	0	113.5	G22 R26 T27 V28 E135 F138 Q142 M226	G22-Y24 PolarHBondContact O-N 3.1Å; Y24-R26 PolarHBondContact O-N 2.69Å; Y24-R26 VanDerWaalsContact O-N 3.09Å; Y24-T27 WeakPolarHBondContact O-CB 3.36Å; Y24-T27 PolarHBondContact O-N 3.14Å; Y24-V28 HydrophobicContact CD2-CG2 3.96Å; Y24-V28 HydrophobicContact CE2-CG2 4.36Å; Y24-V28 PolarHBondContact O-N 2.91Å; Y24-E135 WeakPolarHBondContact CE2-OE1 3.44Å; Y24-E135 WeakPolarHBondContact CE2-OE2 3.44Å; Y24-E135 PolarHBondContact OH-OE1 3.34Å; Y24-F138 HydrophobicContact CD1-CB 3.76Å; Y24-F138 HydrophobicContact CD1-CG 4.26Å; Y24-F138 HydrophobicContact CD2-CB 3.38Å; Y24-F138 AromaticContact CD2-CD2 3.57Å; Y24-F138 HydrophobicContact CD2-CD2 3.57Å; Y24-F138 HydrophobicContact CD2-CE2 4.48Å; Y24-F138 AromaticContact CD2-CG 3.59Å; Y24-F138 HydrophobicContact CD2-CG 3.59Å; Y24-F138 HydrophobicContact CE1-CB 3.86Å; Y24-F138 HydrophobicContact CE2-CB 3.54Å; Y24-F138 HydrophobicContact CE2-CD2 4.31Å; Y24-F138 HydrophobicContact CE2-CG 4.23Å; Y24-F138 HydrophobicContact CG-CB 3.52Å; Y24-F138 HydrophobicContact CG-CD1 4.13Å; Y24-F138 AromaticContact CG-CD2 3.97Å; Y24-F138 HydrophobicContact CG-CD2 3.97Å; Y24-F138 AromaticContact CG-CG 3.62Å; Y24-F138 HydrophobicContact CG-CG 3.62Å; Y24-Q142 VanDerWaalsContact CE1-OE1 3.27Å; Y24-M226 HydrophobicContact CD1-CE 4.09Å; Y24-M226 HydrophobicContact CG-CE 4.44Å
25	K	97.7	Very high	96.6	Very high	123 Å²	123	57.7 Å²	57.7	54%	0.535	28%	0.282	S	S	.	.	H	α-helix	trans	-51.5	-31.1	177.2	67	-171.9	173.9	-175.2	0	113.9	G22 N23 T27 V28 K29	G22-K25 WeakPolarHBondContact O-CB 3.43Å; G22-K25 WeakPolarHBondContact O-CD 3.38Å; G22-K25 VanDerWaalsContact O-CG 3.29Å; G22-K25 WeakPolarHBondContact O-CG 3.39Å; G22-K25 PolarHBondContact O-N 3.23Å; N23-K25 PolarHBondContact O-N 3.19Å; N23-K25 VanDerWaalsContact O-N 3.08Å; K25-T27 VanDerWaalsContact C-N 3.34Å; K25-V28 PolarHBondContact O-N 3.23Å; K25-K29 WeakPolarHBondContact O-CB 3.36Å; K25-K29 PolarHBondContact O-N 3.43Å
26	R	97.6	Very high	97.4	Very high	152 Å²	152	63.2 Å²	63.2	57%	0.574	30%	0.296	S	S	*	.	H	α-helix	trans	-64.6	-40.3	176.6	-64.5	-170	-173.5	-160.6	6.4	111.1	D16 Y24 R30	D16-R26 IonicContact OD1-NH2 3.18Å; D16-R26 PolarHBondContact OD1-NH2 3.23Å; D16-R26 IonicContact OD2-CZ 2.71Å; D16-R26 IonicContact OD2-NH2 2.79Å; D16-R26 PolarHBondContact OD2-NH2 2.87Å; Y24-R26 PolarHBondContact O-N 2.69Å; Y24-R26 VanDerWaalsContact O-N 3.09Å; R26-R30 PolarHBondContact O-N 2.97Å
27	T	98.4	Very high	97.8	Very high	13 Å²	13	61.2 Å²	61.2	8%	0.08	29%	0.285	C	S	.	.	H	α-helix	trans	-67	-43	176.1	-52.9	0	0	0	0	111.5	Y24 K25 R30 F138 F230 C233	Y24-T27 WeakPolarHBondContact O-CB 3.36Å; Y24-T27 PolarHBondContact O-N 3.14Å; K25-T27 VanDerWaalsContact C-N 3.34Å; T27-R30 WeakPolarHBondContact O-CB 3.22Å; T27-R30 PolarHBondContact O-N 3.29Å; T27-F138 HydrophobicContact CG2-CE2 4.17Å; T27-F138 HydrophobicContact CG2-CZ 4.14Å; T27-F230 HydrophobicContact CG2-CD2 3.8Å; T27-F230 HydrophobicContact CG2-CE2 3.9Å; T27-C233 HydrophobicContact CG2-CB 3.71Å
28	V	98.4	Very high	97.9	Very high	8 Å²	8	59.1 Å²	59.1	5%	0.048	27%	0.27	C	S	.	.	H	α-helix	trans	-63.7	-45.8	177.8	176.3	0	0	0	0	110.9	Y24 K25 R30 I31 T131 A134 E135 F138	Y24-V28 HydrophobicContact CD2-CG2 3.96Å; Y24-V28 HydrophobicContact CE2-CG2 4.36Å; Y24-V28 PolarHBondContact O-N 2.91Å; K25-V28 PolarHBondContact O-N 3.23Å; V28-R30 PolarHBondContact O-N 3.46Å; V28-I31 VanDerWaalsContact O-CB 3.32Å; V28-I31 WeakPolarHBondContact O-CB 3.33Å; V28-I31 PolarHBondContact O-N 3.18Å; V28-T131 HydrophobicContact CG1-CG2 3.54Å; V28-A134 HydrophobicContact CG2-CB 4.23Å; V28-E135 HydrophobicContact CG1-CB 4.27Å; V28-F138 HydrophobicContact CG2-CD2 3.69Å; V28-F138 HydrophobicContact CG2-CE2 3.98Å
29	K	98.1	Very high	97.9	Very high	123 Å²	123	58.4 Å²	58.4	54%	0.535	27%	0.272	S	S	.	.	H	α-helix	trans	-56.4	-36.3	177.3	-171.7	-168.1	171.6	-167.8	0	112.4	K25 I31 D32 D33	K25-K29 WeakPolarHBondContact O-CB 3.36Å; K25-K29 PolarHBondContact O-N 3.43Å; K29-I31 PolarHBondContact O-N 2.94Å; K29-I31 VanDerWaalsContact O-N 3.1Å; K29-D32 PolarHBondContact O-N 3.43Å; K29-D33 PolarHBondContact O-N 2.92Å
30	R	98.5	Very high	98	Very high	74 Å²	74	57.7 Å²	57.7	28%	0.279	27%	0.274	S	S	.	.	H	α-helix	trans	-57.4	-26.9	178.8	-165.2	177.2	66.2	-171.8	0.1	112.9	R26 T27 V28 G34 C233 Q234	R26-R30 PolarHBondContact O-N 2.97Å; T27-R30 WeakPolarHBondContact O-CB 3.22Å; T27-R30 PolarHBondContact O-N 3.29Å; V28-R30 PolarHBondContact O-N 3.46Å; R30-G34 PolarHBondContact O-N 3.02Å; R30-C233 PolarHBondContact NH2-O 2.99Å; R30-Q234 VanDerWaalsContact CZ-OE1 3.29Å
31	I	98.3	Very high	98.1	Very high	9 Å²	9	55.1 Å²	55.1	5%	0.046	26%	0.263	C	S	.	.	H	α-helix	trans	-66.3	-49.9	175	-59.4	172.4	0	0	0	110.2	V28 K29 D33 G34 H35 F120 E130 T131 A134 F236	V28-I31 VanDerWaalsContact O-CB 3.32Å; V28-I31 WeakPolarHBondContact O-CB 3.33Å; V28-I31 PolarHBondContact O-N 3.18Å; K29-I31 PolarHBondContact O-N 2.94Å; K29-I31 VanDerWaalsContact O-N 3.1Å; I31-D33 VanDerWaalsContact C-N 3.34Å; I31-D33 PolarHBondContact O-N 3.01Å; I31-G34 PolarHBondContact O-N 3.08Å; I31-G34 VanDerWaalsContact O-N 3.15Å; I31-H35 PolarHBondContact O-N 3Å; I31-F120 HydrophobicContact CG2-CE1 4.07Å; I31-F120 VanDerWaalsContact O-CE1 3.25Å; I31-F120 WeakPolarHBondContact O-CE1 3.32Å; I31-E130 HydrophobicContact CG2-CB 4.05Å; I31-T131 WeakPolarHBondContact CG2-OG1 3.34Å; I31-A134 HydrophobicContact CD1-CB 3.5Å; I31-A134 VanDerWaalsContact CD1-CB 3.5Å; I31-F236 HydrophobicContact CG1-CD1 4.49Å; I31-F236 HydrophobicContact CG2-CD1 4.45Å; I31-F236 HydrophobicContact CG2-CE1 3.92Å
32	D	97.5	Very high	98.2	Very high	58 Å²	58	52.2 Å²	52.2	31%	0.31	24%	0.244	S	C	.	.	H	α-helix	trans	-63.4	-42	177.2	-62.5	-32.1	0	0	0	111.3	K29 G34 H35 R36 F128 T131	K29-D32 PolarHBondContact O-N 3.43Å; D32-G34 PolarHBondContact O-N 3.33Å; D32-H35 PolarHBondContact O-N 2.77Å; D32-R36 PolarHBondContact O-N 3.49Å; D32-R36 VanDerWaalsContact O-N 3.08Å; D32-F128 WeakPolarHBondContact OD1-CD2 3.46Å; D32-T131 WeakPolarHBondContact OD1-CB 3.34Å; D32-T131 WeakPolarHBondContact OD1-CG2 3.32Å; D32-T131 PolarHBondContact OD1-OG1 3.27Å; D32-T131 WeakPolarHBondContact OD2-CG2 3.44Å
33	D	98.4	Very high	98.4	Very high	56 Å²	56	55 Å²	55	30%	0.299	25%	0.254	S	S	.	.	H	α-helix	trans	-60.7	-36.5	175.4	-67.2	-26.6	0	0	0	110.7	K29 I31 H35 R36 L37	K29-D33 PolarHBondContact O-N 2.92Å; I31-D33 VanDerWaalsContact C-N 3.34Å; I31-D33 PolarHBondContact O-N 3.01Å; D33-H35 PolarHBondContact O-N 3.3Å; D33-R36 PolarHBondContact O-N 3.19Å; D33-L37 WeakPolarHBondContact O-CB 3.38Å; D33-L37 VanDerWaalsContact O-CG 3.24Å; D33-L37 WeakPolarHBondContact O-CG 3.49Å; D33-L37 PolarHBondContact O-N 3.37Å
34	G	98.4	Very high	98.4	Very high	2 Å²	2	57.4 Å²	57.4	2%	0.021	27%	0.272	C	S	.	.	H	α-helix	trans	-59.7	-41.4	174.5	0	0	0	0	0	113.5	R30 I31 D32 C38	R30-G34 PolarHBondContact O-N 3.02Å; I31-G34 PolarHBondContact O-N 3.08Å; I31-G34 VanDerWaalsContact O-N 3.15Å; D32-G34 PolarHBondContact O-N 3.33Å; G34-C38 PolarHBondContact O-N 3.37Å; G34-C38 PolarHBondContact O-SG 2.96Å
35	H	98.6	Very high	98.5	Very high	48 Å²	48	57 Å²	57	22%	0.222	27%	0.271	C	S	.	.	H	α-helix	trans	-64.8	-47.4	173.2	174.8	-76.9	0	0	0	110.9	I31 D32 D33 L37 C38 S39 Q116 F120 F128	I31-H35 PolarHBondContact O-N 3Å; D32-H35 PolarHBondContact O-N 2.77Å; D33-H35 PolarHBondContact O-N 3.3Å; H35-L37 VanDerWaalsContact C-N 3.32Å; H35-L37 PolarHBondContact O-N 2.88Å; H35-C38 WeakPolarHBondContact O-CB 3.45Å; H35-C38 PolarHBondContact O-N 3.42Å; H35-C38 VanDerWaalsContact O-N 3.14Å; H35-S39 PolarHBondContact O-N 3.26Å; H35-Q116 PolarHBondContact CE1-NE2 3.38Å; H35-Q116 VanDerWaalsContact CE1-NE2 3.35Å; H35-Q116 PolarHBondContact NE2-NE2 3.27Å; H35-Q116 PolarHBondContact O-NE2 3.42Å; H35-F120 HydrophobicContact CB-CD1 3.86Å; H35-F120 HydrophobicContact CB-CD2 3.94Å; H35-F120 HydrophobicContact CB-CE1 3.89Å; H35-F120 HydrophobicContact CB-CE2 3.98Å; H35-F120 HydrophobicContact CB-CG 3.88Å; H35-F120 HydrophobicContact CB-CZ 3.96Å; H35-F120 AromaticContact CD2-CD2 3.86Å; H35-F120 AromaticContact CD2-CG 3.78Å; H35-F120 VanDerWaalsContact N-CZ 3.32Å; H35-F128 HydrophobicContact CB-CE2 3.81Å; H35-F128 HydrophobicContact CB-CZ 3.93Å; H35-F128 AromaticContact CD2-CE1 3.61Å; H35-F128 AromaticContact CD2-CZ 3.3Å; H35-F128 WeakPolarHBondContact CD2-CZ 3.48Å; H35-F128 AromaticContact CE1-CZ 3.78Å; H35-F128 AromaticContact CG-CE2 3.74Å; H35-F128 AromaticContact CG-CZ 3.34Å; H35-F128 AromaticContact ND1-CZ 3.64Å; H35-F128 AromaticContact NE2-CE1 3.87Å; H35-F128 AromaticContact NE2-CZ 3.57Å
36	R	98.4	Very high	98.5	Very high	160 Å²	160	54.1 Å²	54.1	60%	0.604	26%	0.259	S	S	*	.	H	α-helix	trans	-57.1	-45.4	178	178.6	-174.9	168.8	173.5	1.6	111.5	D32 D33 C38 S39 D40	D32-R36 PolarHBondContact O-N 3.49Å; D32-R36 VanDerWaalsContact O-N 3.08Å; D33-R36 PolarHBondContact O-N 3.19Å; R36-C38 PolarHBondContact O-N 3.16Å; R36-S39 CarbonylContact O-C 3.56Å; R36-S39 WeakPolarHBondContact O-CA 3.48Å; R36-S39 VanDerWaalsContact O-CB 3.31Å; R36-S39 WeakPolarHBondContact O-CB 3.48Å; R36-S39 PolarHBondContact O-N 3.4Å; R36-D40 IonicContact NE-OD2 2.69Å; R36-D40 PolarHBondContact O-N 3.09Å
37	L	98.8	Very high	98.6	Very high	71 Å²	71	52.4 Å²	52.4	37%	0.372	26%	0.257	S	S	.	.	H	α-helix	trans	-60.9	-30.2	178.7	-73.6	170.3	0	0	0	113	D33 H35 D40 L41 F244	D33-L37 WeakPolarHBondContact O-CB 3.38Å; D33-L37 VanDerWaalsContact O-CG 3.24Å; D33-L37 WeakPolarHBondContact O-CG 3.49Å; D33-L37 PolarHBondContact O-N 3.37Å; H35-L37 VanDerWaalsContact C-N 3.32Å; H35-L37 PolarHBondContact O-N 2.88Å; L37-D40 PolarHBondContact O-N 3.46Å; L37-L41 WeakPolarHBondContact O-CB 3.41Å; L37-L41 PolarHBondContact O-N 3.07Å; L37-F244 HydrophobicContact CB-CE2 4.34Å; L37-F244 HydrophobicContact CB-CZ 4.14Å
38	C	98.8	Very high	98.6	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-66.3	-40.8	172.4	-61.6	0	0	0	0	111.1	G34 H35 R36 L41 M42 I112 Q116	G34-C38 PolarHBondContact O-N 3.37Å; G34-C38 PolarHBondContact O-SG 2.96Å; H35-C38 WeakPolarHBondContact O-CB 3.45Å; H35-C38 PolarHBondContact O-N 3.42Å; H35-C38 VanDerWaalsContact O-N 3.14Å; R36-C38 PolarHBondContact O-N 3.16Å; C38-L41 PolarHBondContact O-N 2.99Å; C38-M42 WeakPolarHBondContact O-CB 3.48Å; C38-M42 WeakPolarHBondContact O-CG 2.85Å; C38-M42 PolarHBondContact O-N 3.45Å; C38-I112 HydrophobicContact CB-CG2 3.95Å; C38-Q116 HydrophobicContact CB-CB 4.1Å; C38-Q116 HydrophobicContact CB-CG 3.95Å
39	S	98.6	Very high	98.6	Very high	35 Å²	35	56 Å²	56	25%	0.245	27%	0.269	C	S	.	.	H	α-helix	trans	-65	-41.9	173.8	-64.9	0	0	0	0	112.2	H35 R36 L41 M42 N43 Q116	H35-S39 PolarHBondContact O-N 3.26Å; R36-S39 CarbonylContact O-C 3.56Å; R36-S39 WeakPolarHBondContact O-CA 3.48Å; R36-S39 VanDerWaalsContact O-CB 3.31Å; R36-S39 WeakPolarHBondContact O-CB 3.48Å; R36-S39 PolarHBondContact O-N 3.4Å; S39-L41 PolarHBondContact O-N 2.88Å; S39-M42 PolarHBondContact O-N 3.21Å; S39-N43 WeakPolarHBondContact O-CB 3.3Å; S39-N43 VanDerWaalsContact O-CG 3.26Å; S39-N43 PolarHBondContact O-N 2.96Å; S39-N43 PolarHBondContact O-ND2 3.02Å; S39-Q116 PolarHBondContact OG-NE2 2.98Å
40	D	98.9	Very high	98.6	Very high	68 Å²	68	56.6 Å²	56.6	36%	0.364	27%	0.268	S	S	.	.	H	α-helix	trans	-62.1	-44.2	177	-63.3	-19.2	0	0	0	110.9	R36 L37 N43 C44	R36-D40 IonicContact NE-OD2 2.69Å; R36-D40 PolarHBondContact O-N 3.09Å; L37-D40 PolarHBondContact O-N 3.46Å; D40-N43 PolarHBondContact O-N 3.38Å; D40-C44 WeakPolarHBondContact O-CB 3.19Å; D40-C44 PolarHBondContact O-N 3.45Å
41	L	98.8	Very high	98.7	Very high	21 Å²	21	58.3 Å²	58.3	11%	0.11	28%	0.281	C	S	.	.	H	α-helix	trans	-64.2	-43.8	176.1	-176.5	61.1	0	0	0	112	L37 C38 S39 N43 C44 L45 I112 F244 L248	L37-L41 WeakPolarHBondContact O-CB 3.41Å; L37-L41 PolarHBondContact O-N 3.07Å; C38-L41 PolarHBondContact O-N 2.99Å; S39-L41 PolarHBondContact O-N 2.88Å; L41-N43 VanDerWaalsContact C-N 3.34Å; L41-N43 PolarHBondContact O-N 3.41Å; L41-C44 WeakPolarHBondContact O-CB 3.41Å; L41-C44 PolarHBondContact O-N 3.31Å; L41-L45 WeakPolarHBondContact O-CG 3.46Å; L41-L45 PolarHBondContact O-N 2.9Å; L41-I112 HydrophobicContact CB-CD1 4.45Å; L41-I112 HydrophobicContact CD2-CD1 3.68Å; L41-I112 HydrophobicContact CD2-CG1 4.28Å; L41-I112 HydrophobicContact CG-CD1 3.73Å; L41-F244 HydrophobicContact CB-CE2 4.31Å; L41-F244 HydrophobicContact CB-CZ 4.38Å; L41-F244 HydrophobicContact CD2-CD2 4.05Å; L41-F244 HydrophobicContact CD2-CE1 4.38Å; L41-F244 HydrophobicContact CD2-CE2 3.9Å; L41-F244 HydrophobicContact CD2-CG 4.35Å; L41-F244 HydrophobicContact CD2-CZ 4.07Å; L41-L248 HydrophobicContact CD1-CD2 4.1Å
42	M	98.9	Very high	98.7	Very high	12 Å²	12	58.5 Å²	58.5	6%	0.059	28%	0.282	C	S	.	.	H	α-helix	trans	-58.3	-44.7	174.9	-80.8	-171.8	-61.8	0	0	112.1	C38 S39 L45 H46 F109 I112 K113 Q116	C38-M42 WeakPolarHBondContact O-CB 3.48Å; C38-M42 WeakPolarHBondContact O-CG 2.85Å; C38-M42 PolarHBondContact O-N 3.45Å; S39-M42 PolarHBondContact O-N 3.21Å; M42-L45 PolarHBondContact O-N 3.23Å; M42-H46 WeakPolarHBondContact O-CB 3.26Å; M42-H46 PolarHBondContact O-N 3.02Å; M42-F109 HydrophobicContact CB-CD2 3.78Å; M42-F109 HydrophobicContact CB-CE2 3.56Å; M42-F109 HydrophobicContact CB-CZ 4.31Å; M42-F109 HydrophobicContact CG-CD2 4Å; M42-F109 HydrophobicContact CG-CE2 4.04Å; M42-F109 HydrophobicContact CG-CG 4.47Å; M42-F109 WeakPolarHBondContact O-CD2 3.5Å; M42-F109 HydrophobicContact SD-CE1 4.43Å; M42-F109 HydrophobicContact SD-CE2 4.32Å; M42-F109 HydrophobicContact SD-CZ 4.2Å; M42-I112 HydrophobicContact CG-CB 3.75Å; M42-I112 HydrophobicContact CG-CD1 4.2Å; M42-I112 HydrophobicContact CG-CG2 3.55Å; M42-I112 HydrophobicContact SD-CB 4.29Å; M42-I112 HydrophobicContact SD-CG2 4.08Å; M42-K113 HydrophobicContact SD-CB 3.6Å; M42-K113 VanDerWaalsContact SD-CB 3.6Å; M42-K113 HydrophobicContact SD-CG 4.27Å; M42-Q116 VanDerWaalsContact CE-OE1 3.3Å
43	N	98.8	Very high	98.8	Very high	81 Å²	81	60.1 Å²	60.1	43%	0.433	29%	0.286	S	S	.	.	H	α-helix	trans	-64.8	-43.3	177.7	-70.7	-23.9	0	0	0	111.5	S39 D40 L41 L45 H46 E47	S39-N43 WeakPolarHBondContact O-CB 3.3Å; S39-N43 VanDerWaalsContact O-CG 3.26Å; S39-N43 PolarHBondContact O-N 2.96Å; S39-N43 PolarHBondContact O-ND2 3.02Å; D40-N43 PolarHBondContact O-N 3.38Å; L41-N43 VanDerWaalsContact C-N 3.34Å; L41-N43 PolarHBondContact O-N 3.41Å; N43-L45 VanDerWaalsContact C-N 3.35Å; N43-L45 PolarHBondContact O-N 3.01Å; N43-H46 WeakPolarHBondContact O-CB 3.43Å; N43-H46 PolarHBondContact O-N 3.27Å; N43-H46 VanDerWaalsContact O-N 3.13Å; N43-E47 WeakPolarHBondContact O-CG 3.32Å; N43-E47 PolarHBondContact O-N 3.47Å
44	C	98.9	Very high	98.8	Very high	74 Å²	74	59.3 Å²	59.3	50%	0.5	29%	0.287	S	S	.	.	H	α-helix	trans	-56.6	-46.3	175	176.7	0	0	0	0	112.1	D40 L41 H46 R48	D40-C44 WeakPolarHBondContact O-CB 3.19Å; D40-C44 PolarHBondContact O-N 3.45Å; L41-C44 WeakPolarHBondContact O-CB 3.41Å; L41-C44 PolarHBondContact O-N 3.31Å; C44-H46 VanDerWaalsContact C-N 3.35Å; C44-R48 PolarHBondContact O-N 2.94Å; C44-R48 VanDerWaalsContact O-N 3.08Å
45	L	98.8	Very high	98.8	Very high	10 Å²	10	64.4 Å²	64.4	5%	0.052	31%	0.306	C	S	.	.	H	α-helix	trans	-66.5	-38.1	176.6	-64.1	-175.4	0	0	0	111.9	L41 M42 N43 R48 A49 M105 D108 I112 V251	L41-L45 WeakPolarHBondContact O-CG 3.46Å; L41-L45 PolarHBondContact O-N 2.9Å; M42-L45 PolarHBondContact O-N 3.23Å; N43-L45 VanDerWaalsContact C-N 3.35Å; N43-L45 PolarHBondContact O-N 3.01Å; L45-R48 PolarHBondContact O-N 3.49Å; L45-A49 VanDerWaalsContact O-CB 3.3Å; L45-A49 WeakPolarHBondContact O-CB 3.38Å; L45-A49 PolarHBondContact O-N 2.93Å; L45-M105 VanDerWaalsContact C-CE 3.47Å; L45-M105 HydrophobicContact CB-CE 4.05Å; L45-M105 WeakPolarHBondContact O-CE 3.32Å; L45-D108 HydrophobicContact CD1-CB 3.91Å; L45-I112 HydrophobicContact CD1-CD1 3.59Å; L45-V251 HydrophobicContact CD1-CG2 3.86Å; L45-V251 HydrophobicContact CD2-CB 4.45Å; L45-V251 HydrophobicContact CD2-CG1 3.79Å; L45-V251 HydrophobicContact CD2-CG2 3.77Å; L45-V251 HydrophobicContact CG-CG2 4.49Å
46	H	98.8	Very high	98.8	Very high	62 Å²	62	62.1 Å²	62.1	29%	0.287	30%	0.296	S	S	.	.	H	α-helix	trans	-65.5	-41.9	179.2	-174	-160.2	0	0	0	112.2	M42 N43 C44 A49 R50 M105 F109	M42-H46 WeakPolarHBondContact O-CB 3.26Å; M42-H46 PolarHBondContact O-N 3.02Å; N43-H46 WeakPolarHBondContact O-CB 3.43Å; N43-H46 PolarHBondContact O-N 3.27Å; N43-H46 VanDerWaalsContact O-N 3.13Å; C44-H46 VanDerWaalsContact C-N 3.35Å; H46-A49 PolarHBondContact O-N 2.75Å; H46-R50 VanDerWaalsContact CE1-CZ 3.45Å; H46-R50 PolarHBondContact CE1-NH2 2.99Å; H46-R50 PolarHBondContact ND1-NH2 2.84Å; H46-R50 WeakPolarHBondContact O-CG 3.45Å; H46-R50 PolarHBondContact O-N 3.35Å; H46-M105 VanDerWaalsContact CA-CE 3.45Å; H46-M105 HydrophobicContact CB-CE 4.17Å; H46-M105 HydrophobicContact CB-SD 4.12Å; H46-M105 VanDerWaalsContact CD2-SD 3.56Å; H46-F109 HydrophobicContact CB-CD2 4.38Å; H46-F109 HydrophobicContact CB-CE2 4.24Å
47	E	98.9	Very high	98.8	Very high	115 Å²	115	59.6 Å²	59.6	54%	0.537	29%	0.291	S	S	.	.	H	α-helix	trans	-62.1	-47.1	173	-73.4	170.3	-162.9	0	0	111.3	N43 A49 R50 I51	N43-E47 WeakPolarHBondContact O-CG 3.32Å; N43-E47 PolarHBondContact O-N 3.47Å; E47-A49 VanDerWaalsContact C-N 3.33Å; E47-A49 PolarHBondContact O-N 3.2Å; E47-R50 WeakPolarHBondContact O-CB 3.42Å; E47-R50 PolarHBondContact O-N 3.35Å; E47-R50 VanDerWaalsContact O-N 3.09Å; E47-I51 PolarHBondContact O-N 3.12Å
48	R	98.9	Very high	98.8	Very high	96 Å²	96	62.8 Å²	62.8	36%	0.362	30%	0.304	S	S	.	.	H	α-helix	trans	-57.8	-45.7	174.9	177.1	56.7	-174.6	-83.9	0.8	112	C44 L45 R50 I51 E52 L104 L255	C44-R48 PolarHBondContact O-N 2.94Å; C44-R48 VanDerWaalsContact O-N 3.08Å; L45-R48 PolarHBondContact O-N 3.49Å; R48-R50 VanDerWaalsContact C-N 3.26Å; R48-R50 PolarHBondContact O-N 3.41Å; R48-I51 WeakPolarHBondContact O-CB 3.4Å; R48-I51 PolarHBondContact O-N 2.85Å; R48-I51 VanDerWaalsContact O-N 3.08Å; R48-E52 IonicContact CZ-OE1 2.78Å; R48-E52 IonicContact NE-OE1 2.66Å; R48-E52 PolarHBondContact NE-OE1 3.09Å; R48-E52 IonicContact NH2-OE1 3.37Å; R48-E52 PolarHBondContact NH2-OE1 3.2Å; R48-E52 WeakPolarHBondContact O-CG 3.5Å; R48-E52 PolarHBondContact O-N 3.39Å; R48-E52 VanDerWaalsContact O-N 3.11Å; R48-L104 HydrophobicContact CG-CD1 4.06Å; R48-L255 HydrophobicContact CG-CD2 4.39Å
49	A	98.9	Very high	98.8	Very high	1 Å²	1	64 Å²	64	1%	0.008	31%	0.31	C	S	.	.	H	α-helix	trans	-60.5	-32.6	176.8	0	0	0	0	0	113.4	L45 H46 E47 K53 K101 L104 M105	L45-A49 VanDerWaalsContact O-CB 3.3Å; L45-A49 WeakPolarHBondContact O-CB 3.38Å; L45-A49 PolarHBondContact O-N 2.93Å; H46-A49 PolarHBondContact O-N 2.75Å; E47-A49 VanDerWaalsContact C-N 3.33Å; E47-A49 PolarHBondContact O-N 3.2Å; A49-K53 PolarHBondContact O-N 3.09Å; A49-K53 VanDerWaalsContact O-N 3.07Å; A49-K101 HydrophobicContact CB-CG 3.97Å; A49-K101 VanDerWaalsContact O-CG 3.22Å; A49-K101 WeakPolarHBondContact O-CG 3.35Å; A49-L104 HydrophobicContact CB-CB 4.19Å; A49-L104 HydrophobicContact CB-CD1 4.07Å; A49-M105 HydrophobicContact CB-CE 3.56Å; A49-M105 HydrophobicContact CB-CG 3.66Å; A49-M105 HydrophobicContact CB-SD 3.72Å
50	R	98.8	Very high	98.8	Very high	136 Å²	136	65.3 Å²	65.3	51%	0.513	32%	0.317	S	S	.	.	H	α-helix	trans	-67.2	-38.3	173.4	-71.4	176.8	-172.7	134.9	-12.2	111.9	H46 E47 R48 K53 A54	H46-R50 VanDerWaalsContact CE1-CZ 3.45Å; H46-R50 PolarHBondContact CE1-NH2 2.99Å; H46-R50 PolarHBondContact ND1-NH2 2.84Å; H46-R50 WeakPolarHBondContact O-CG 3.45Å; H46-R50 PolarHBondContact O-N 3.35Å; E47-R50 WeakPolarHBondContact O-CB 3.42Å; E47-R50 PolarHBondContact O-N 3.35Å; E47-R50 VanDerWaalsContact O-N 3.09Å; R48-R50 VanDerWaalsContact C-N 3.26Å; R48-R50 PolarHBondContact O-N 3.41Å; R50-K53 PolarHBondContact O-N 2.95Å; R50-A54 WeakPolarHBondContact O-CB 3.42Å; R50-A54 PolarHBondContact O-N 3.28Å
51	I	98.9	Very high	98.8	Very high	110 Å²	110	66.6 Å²	66.6	56%	0.564	32%	0.321	S	S	*	.	H	α-helix	trans	-61.1	-48.4	175.2	-62.6	169.1	0	0	0	110	E47 R48 K53 A54 Y55	E47-I51 PolarHBondContact O-N 3.12Å; R48-I51 WeakPolarHBondContact O-CB 3.4Å; R48-I51 PolarHBondContact O-N 2.85Å; R48-I51 VanDerWaalsContact O-N 3.08Å; I51-K53 VanDerWaalsContact C-N 3.32Å; I51-K53 PolarHBondContact O-N 3.31Å; I51-A54 PolarHBondContact O-N 3.32Å; I51-A54 VanDerWaalsContact O-N 3.13Å; I51-Y55 PolarHBondContact O-N 3Å
52	E	98.9	Very high	98.8	Very high	13 Å²	13	70.5 Å²	70.5	6%	0.061	33%	0.334	C	S	.	.	H	α-helix	trans	-57.4	-45	177.6	-61.5	-58.4	155	0	0	111.8	R48 A56 H97 V100 K101 L104	R48-E52 IonicContact CZ-OE1 2.78Å; R48-E52 IonicContact NE-OE1 2.66Å; R48-E52 PolarHBondContact NE-OE1 3.09Å; R48-E52 IonicContact NH2-OE1 3.37Å; R48-E52 PolarHBondContact NH2-OE1 3.2Å; R48-E52 WeakPolarHBondContact O-CG 3.5Å; R48-E52 PolarHBondContact O-N 3.39Å; R48-E52 VanDerWaalsContact O-N 3.11Å; E52-A56 PolarHBondContact O-N 2.97Å; E52-A56 VanDerWaalsContact O-N 3.13Å; E52-H97 IonicContact OE2-CE1 2.69Å; E52-H97 PolarHBondContact OE2-CE1 3.2Å; E52-H97 IonicContact OE2-CG 2.72Å; E52-H97 IonicContact OE2-ND1 2.75Å; E52-H97 PolarHBondContact OE2-ND1 2.85Å; E52-V100 HydrophobicContact CG-CG1 3.98Å; E52-K101 HydrophobicContact CB-CB 4.11Å; E52-L104 HydrophobicContact CG-CD1 4.44Å
53	K	98.8	Very high	98.8	Very high	92 Å²	92	70 Å²	70	40%	0.4	33%	0.331	S	S	.	.	H	α-helix	trans	-62.6	-43.6	175.4	-179.8	178.9	174.8	-173.9	0	112.3	A49 R50 I51 A56 Q57 L98 K101	A49-K53 PolarHBondContact O-N 3.09Å; A49-K53 VanDerWaalsContact O-N 3.07Å; R50-K53 PolarHBondContact O-N 2.95Å; I51-K53 VanDerWaalsContact C-N 3.32Å; I51-K53 PolarHBondContact O-N 3.31Å; K53-A56 PolarHBondContact O-N 2.77Å; K53-Q57 VanDerWaalsContact CE-NE2 3.32Å; K53-Q57 HydrophobicContact CG-CG 4.31Å; K53-Q57 WeakPolarHBondContact O-CB 3.39Å; K53-Q57 VanDerWaalsContact O-CG 3.27Å; K53-Q57 WeakPolarHBondContact O-CG 3.33Å; K53-Q57 PolarHBondContact O-N 3.43Å; K53-L98 HydrophobicContact CG-CD2 4.3Å; K53-K101 HydrophobicContact CB-CG 4.18Å
54	A	98.8	Very high	98.8	Very high	38 Å²	38	72.3 Å²	72.3	31%	0.314	33%	0.334	S	S	.	.	H	α-helix	trans	-63.5	-43.4	-177.8	0	0	0	0	0	111.2	R50 I51 Q57 Q58	R50-A54 WeakPolarHBondContact O-CB 3.42Å; R50-A54 PolarHBondContact O-N 3.28Å; I51-A54 PolarHBondContact O-N 3.32Å; I51-A54 VanDerWaalsContact O-N 3.13Å; A54-Q57 PolarHBondContact O-N 2.97Å; A54-Q58 WeakPolarHBondContact O-CG 3.4Å; A54-Q58 PolarHBondContact O-N 3.4Å
55	Y	98.9	Very high	98.8	Very high	109 Å²	109	76.3 Å²	76.3	43%	0.427	34%	0.339	S	S	.	.	H	α-helix	trans	-59.9	-48.9	175.1	179.9	-118.9	0	0	0	111.8	I51 Q57 Q58 L59 V93 H97	I51-Y55 PolarHBondContact O-N 3Å; Y55-Q57 VanDerWaalsContact C-N 3.32Å; Y55-Q57 PolarHBondContact O-N 2.96Å; Y55-Q58 PolarHBondContact O-N 2.92Å; Y55-L59 HydrophobicContact CD1-CD1 4.05Å; Y55-L59 HydrophobicContact CE1-CD1 3.54Å; Y55-L59 HydrophobicContact CE1-CG 4.33Å; Y55-L59 HydrophobicContact CE2-CD1 4.24Å; Y55-L59 HydrophobicContact CE2-CD2 4.33Å; Y55-L59 HydrophobicContact CE2-CG 4.17Å; Y55-L59 PolarHBondContact O-N 3.31Å; Y55-V93 HydrophobicContact CE1-CG1 4.19Å; Y55-H97 HydrophobicContact CD1-CB 4.48Å; Y55-H97 AromaticContact CD1-CD2 3.76Å; Y55-H97 AromaticContact CD1-CE1 3.72Å; Y55-H97 AromaticContact CD1-CG 3.76Å; Y55-H97 AromaticContact CD1-ND1 3.73Å; Y55-H97 AromaticContact CD1-NE2 3.75Å; Y55-H97 AromaticContact CE1-CD2 3.7Å; Y55-H97 AromaticContact CE1-CE1 3.84Å; Y55-H97 AromaticContact CE1-NE2 3.47Å; Y55-H97 WeakPolarHBondContact CE1-NE2 3.31Å
56	A	98.8	Very high	98.8	Very high	0 Å²	0	80.3 Å²	80.3	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-58.2	-42.1	176.4	0	0	0	0	0	113	E52 K53 Q58 L59 T60 S94 H97 L98	E52-A56 PolarHBondContact O-N 2.97Å; E52-A56 VanDerWaalsContact O-N 3.13Å; K53-A56 PolarHBondContact O-N 2.77Å; A56-Q58 PolarHBondContact O-N 3.44Å; A56-L59 PolarHBondContact O-N 2.81Å; A56-T60 WeakPolarHBondContact O-CB 3.36Å; A56-T60 PolarHBondContact O-N 3.24Å; A56-T60 PolarHBondContact O-OG1 3.3Å; A56-S94 WeakPolarHBondContact CB-O 3.49Å; A56-S94 WeakPolarHBondContact CB-OG 3.49Å; A56-S94 WeakPolarHBondContact O-CB 3.36Å; A56-S94 PolarHBondContact O-OG 3.28Å; A56-H97 HydrophobicContact CB-CB 4.03Å; A56-L98 HydrophobicContact CB-CD2 3.91Å; A56-L98 HydrophobicContact CB-CG 3.75Å
57	Q	98.8	Very high	98.8	Very high	108 Å²	108	80 Å²	80	51%	0.505	35%	0.349	S	S	.	.	H	α-helix	trans	-63.3	-42.1	177.6	-75.3	178.6	-41.4	0	0	112.3	K53 A54 Y55 T60 E61	K53-Q57 VanDerWaalsContact CE-NE2 3.32Å; K53-Q57 HydrophobicContact CG-CG 4.31Å; K53-Q57 WeakPolarHBondContact O-CB 3.39Å; K53-Q57 VanDerWaalsContact O-CG 3.27Å; K53-Q57 WeakPolarHBondContact O-CG 3.33Å; K53-Q57 PolarHBondContact O-N 3.43Å; A54-Q57 PolarHBondContact O-N 2.97Å; Y55-Q57 VanDerWaalsContact C-N 3.32Å; Y55-Q57 PolarHBondContact O-N 2.96Å; Q57-T60 PolarHBondContact O-N 2.97Å; Q57-E61 PolarHBondContact O-N 3.43Å
58	Q	98.9	Very high	98.8	Very high	137 Å²	137	78.9 Å²	78.9	64%	0.64	34%	0.344	S	S	*	.	H	α-helix	trans	-64.3	-43	176.8	-70.5	-178.3	43.1	0	0	111.8	A54 Y55 A56 T60 E61 W62	A54-Q58 WeakPolarHBondContact O-CG 3.4Å; A54-Q58 PolarHBondContact O-N 3.4Å; Y55-Q58 PolarHBondContact O-N 2.92Å; A56-Q58 PolarHBondContact O-N 3.44Å; Q58-T60 VanDerWaalsContact C-N 3.34Å; Q58-T60 PolarHBondContact O-N 2.98Å; Q58-E61 PolarHBondContact O-N 2.97Å; Q58-W62 VanDerWaalsContact O-CB 3.31Å; Q58-W62 WeakPolarHBondContact O-CB 3.38Å; Q58-W62 PolarHBondContact O-N 3.22Å
59	L	98.9	Very high	98.8	Very high	26 Å²	26	78.6 Å²	78.6	14%	0.136	35%	0.349	C	S	.	.	H	α-helix	trans	-59.3	-44.9	174.2	-73.1	176.9	0	0	0	112	Y55 A56 E61 W62 A63 A90 V93	Y55-L59 HydrophobicContact CD1-CD1 4.05Å; Y55-L59 HydrophobicContact CE1-CD1 3.54Å; Y55-L59 HydrophobicContact CE1-CG 4.33Å; Y55-L59 HydrophobicContact CE2-CD1 4.24Å; Y55-L59 HydrophobicContact CE2-CD2 4.33Å; Y55-L59 HydrophobicContact CE2-CG 4.17Å; Y55-L59 PolarHBondContact O-N 3.31Å; A56-L59 PolarHBondContact O-N 2.81Å; L59-E61 PolarHBondContact O-N 2.93Å; L59-W62 PolarHBondContact O-N 3.47Å; L59-A63 VanDerWaalsContact O-CB 3.3Å; L59-A63 WeakPolarHBondContact O-CB 3.35Å; L59-A63 PolarHBondContact O-N 3.3Å; L59-A90 HydrophobicContact CB-CB 4.37Å; L59-A90 HydrophobicContact CD2-CB 4.11Å; L59-V93 HydrophobicContact CD1-CB 4.04Å; L59-V93 HydrophobicContact CD1-CG1 3.64Å
60	T	98.8	Very high	98.8	Very high	62 Å²	62	78.7 Å²	78.7	38%	0.38	35%	0.35	S	S	.	.	H	α-helix	trans	-61.7	-45.4	179.2	-54.2	0	0	0	0	111.5	A56 Q57 Q58 R64 S94	A56-T60 WeakPolarHBondContact O-CB 3.36Å; A56-T60 PolarHBondContact O-N 3.24Å; A56-T60 PolarHBondContact O-OG1 3.3Å; Q57-T60 PolarHBondContact O-N 2.97Å; Q58-T60 VanDerWaalsContact C-N 3.34Å; Q58-T60 PolarHBondContact O-N 2.98Å; T60-R64 WeakPolarHBondContact O-CB 3.29Å; T60-R64 PolarHBondContact O-N 3.33Å; T60-S94 PolarHBondContact OG1-OG 2.94Å
61	E	98.8	Very high	98.7	Very high	95 Å²	95	77.4 Å²	77.4	44%	0.444	35%	0.35	S	S	.	.	H	α-helix	trans	-66.4	-44	178.9	-174.4	57.6	-135.7	0	0	111.6	Q57 Q58 L59 R64 R65	Q57-E61 PolarHBondContact O-N 3.43Å; Q58-E61 PolarHBondContact O-N 2.97Å; L59-E61 PolarHBondContact O-N 2.93Å; E61-R64 PolarHBondContact O-N 2.96Å; E61-R64 IonicContact OE1-CZ 3.65Å; E61-R64 IonicContact OE1-NE 3.24Å; E61-R64 PolarHBondContact OE1-NE 3.45Å; E61-R64 IonicContact OE1-NH2 3.41Å; E61-R64 PolarHBondContact OE1-NH2 3.29Å; E61-R64 IonicContact OE2-CZ 2.71Å; E61-R64 IonicContact OE2-NE 3.45Å; E61-R64 PolarHBondContact OE2-NE 2.88Å; E61-R64 IonicContact OE2-NH2 3.48Å; E61-R64 PolarHBondContact OE2-NH2 3.05Å; E61-R65 VanDerWaalsContact O-CB 3.32Å; E61-R65 WeakPolarHBondContact O-CB 3.45Å; E61-R65 PolarHBondContact O-N 3.38Å
62	W	98.9	Very high	98.6	Very high	104 Å²	104	80.2 Å²	80.2	39%	0.394	36%	0.358	S	S	.	.	H	α-helix	trans	-59.2	-48.6	176.6	175.4	92	0	0	0	111.5	Q58 L59 R64 R65 W66 F86 M87 A90	Q58-W62 VanDerWaalsContact O-CB 3.31Å; Q58-W62 WeakPolarHBondContact O-CB 3.38Å; Q58-W62 PolarHBondContact O-N 3.22Å; L59-W62 PolarHBondContact O-N 3.47Å; W62-R64 PolarHBondContact O-N 3.49Å; W62-R65 PolarHBondContact O-N 2.97Å; W62-W66 AromaticContact CD1-CD1 3.49Å; W62-W66 VanDerWaalsContact CD1-CD1 3.49Å; W62-W66 AromaticContact CD1-NE1 3.62Å; W62-W66 AromaticContact CD2-CD1 3.96Å; W62-W66 AromaticContact CE2-CD1 3.54Å; W62-W66 AromaticContact CE2-NE1 3.95Å; W62-W66 AromaticContact CG-CD1 3.92Å; W62-W66 AromaticContact NE1-CD1 3.23Å; W62-W66 AromaticContact NE1-NE1 3.24Å; W62-W66 PolarHBondContact O-N 3Å; W62-F86 HydrophobicContact CH2-CB 4.25Å; W62-M87 HydrophobicContact CH2-CE 3.24Å; W62-M87 HydrophobicContact CZ2-CE 3.73Å; W62-M87 HydrophobicContact CZ3-CE 3.72Å; W62-M87 HydrophobicContact CZ3-CG 4.46Å; W62-A90 HydrophobicContact CE3-CB 3.71Å; W62-A90 HydrophobicContact CZ3-CB 3.59Å
63	A	98.9	Very high	98.6	Very high	0 Å²	0	81 Å²	81	0%	0	37%	0.37	C	S	.	.	H	α-helix	trans	-60.2	-49.2	179.4	0	0	0	0	0	111	L59 R65 W66 R67 M87 A90 E91	L59-A63 VanDerWaalsContact O-CB 3.3Å; L59-A63 WeakPolarHBondContact O-CB 3.35Å; L59-A63 PolarHBondContact O-N 3.3Å; A63-R65 VanDerWaalsContact C-N 3.35Å; A63-R65 PolarHBondContact O-N 3.02Å; A63-W66 PolarHBondContact O-N 3.29Å; A63-R67 WeakPolarHBondContact O-CB 3.43Å; A63-R67 PolarHBondContact O-N 3.04Å; A63-M87 HydrophobicContact CB-CB 4.04Å; A63-M87 HydrophobicContact CB-CG 4.41Å; A63-M87 WeakPolarHBondContact CB-O 3.5Å; A63-M87 VanDerWaalsContact O-CG 3.31Å; A63-M87 WeakPolarHBondContact O-CG 3.39Å; A63-A90 HydrophobicContact CB-CB 4.17Å; A63-E91 HydrophobicContact CB-CG 3.71Å
64	R	98.8	Very high	98.6	Very high	130 Å²	130	82.7 Å²	82.7	49%	0.491	39%	0.39	S	S	.	.	H	α-helix	trans	-57.8	-45.9	177.4	-175.5	-179.1	71.5	160.8	2.4	112.2	T60 E61 W62 Q68	T60-R64 WeakPolarHBondContact O-CB 3.29Å; T60-R64 PolarHBondContact O-N 3.33Å; E61-R64 PolarHBondContact O-N 2.96Å; E61-R64 IonicContact OE1-CZ 3.65Å; E61-R64 IonicContact OE1-NE 3.24Å; E61-R64 PolarHBondContact OE1-NE 3.45Å; E61-R64 IonicContact OE1-NH2 3.41Å; E61-R64 PolarHBondContact OE1-NH2 3.29Å; E61-R64 IonicContact OE2-CZ 2.71Å; E61-R64 IonicContact OE2-NE 3.45Å; E61-R64 PolarHBondContact OE2-NE 2.88Å; E61-R64 IonicContact OE2-NH2 3.48Å; E61-R64 PolarHBondContact OE2-NH2 3.05Å; W62-R64 PolarHBondContact O-N 3.49Å; R64-Q68 WeakPolarHBondContact O-CG 3.5Å; R64-Q68 PolarHBondContact O-N 3.32Å
65	R	98.7	Very high	98.6	Very high	158 Å²	158	84 Å²	84	60%	0.596	39%	0.389	S	S	*	.	H	α-helix	trans	-62.2	-52.4	-179.9	177.3	-176.6	175.6	119.4	-1.6	111.2	E61 W62 A63 Q68 L69	E61-R65 VanDerWaalsContact O-CB 3.32Å; E61-R65 WeakPolarHBondContact O-CB 3.45Å; E61-R65 PolarHBondContact O-N 3.38Å; W62-R65 PolarHBondContact O-N 2.97Å; A63-R65 VanDerWaalsContact C-N 3.35Å; A63-R65 PolarHBondContact O-N 3.02Å; R65-Q68 PolarHBondContact O-N 3.25Å; R65-L69 HydrophobicContact CG-CD1 4.06Å; R65-L69 WeakPolarHBondContact O-CG 3.48Å; R65-L69 PolarHBondContact O-N 2.98Å; R65-L69 VanDerWaalsContact O-N 3.12Å
66	W	98.8	Very high	98.5	Very high	95 Å²	95	82.5 Å²	82.5	36%	0.36	38%	0.384	S	S	.	.	H	α-helix	trans	-69.8	-35.1	-175.6	-82.4	100.3	0	0	0	112.7	W62 A63 Q68 L69 V70 W83 M87	W62-W66 AromaticContact CD1-CD1 3.49Å; W62-W66 VanDerWaalsContact CD1-CD1 3.49Å; W62-W66 AromaticContact CD1-NE1 3.62Å; W62-W66 AromaticContact CD2-CD1 3.96Å; W62-W66 AromaticContact CE2-CD1 3.54Å; W62-W66 AromaticContact CE2-NE1 3.95Å; W62-W66 AromaticContact CG-CD1 3.92Å; W62-W66 AromaticContact NE1-CD1 3.23Å; W62-W66 AromaticContact NE1-NE1 3.24Å; W62-W66 PolarHBondContact O-N 3Å; A63-W66 PolarHBondContact O-N 3.29Å; W66-Q68 VanDerWaalsContact C-N 3.31Å; W66-Q68 PolarHBondContact O-N 3.14Å; W66-L69 HydrophobicContact CD2-CD1 4.45Å; W66-L69 HydrophobicContact CE3-CB 4.5Å; W66-L69 HydrophobicContact CE3-CD1 4.35Å; W66-L69 PolarHBondContact O-N 3.28Å; W66-L69 VanDerWaalsContact O-N 3.12Å; W66-V70 WeakPolarHBondContact O-CB 3.38Å; W66-V70 VanDerWaalsContact O-CG2 3.32Å; W66-V70 WeakPolarHBondContact O-CG2 3.4Å; W66-V70 PolarHBondContact O-N 3Å; W66-W83 HydrophobicContact CE3-CZ2 4.22Å; W66-W83 AromaticContact CZ3-CZ2 3.96Å; W66-W83 HydrophobicContact CZ3-CZ2 3.96Å; W66-M87 HydrophobicContact CB-CE 3.72Å; W66-M87 HydrophobicContact CB-CG 3.96Å; W66-M87 HydrophobicContact CB-SD 3.98Å; W66-M87 HydrophobicContact CG-CE 4.36Å
67	R	98.6	Very high	98.5	Very high	54 Å²	54	83.8 Å²	83.8	20%	0.204	40%	0.397	C	S	.	.	H	α-helix	trans	-53.3	-50.5	172.1	-167.9	-179.7	-68.8	-73.5	4.1	110.9	A63 L69 V70 E71 M84 M87 S88 E91	A63-R67 WeakPolarHBondContact O-CB 3.43Å; A63-R67 PolarHBondContact O-N 3.04Å; R67-L69 PolarHBondContact O-N 3.34Å; R67-V70 PolarHBondContact O-N 2.99Å; R67-E71 WeakPolarHBondContact O-CB 3.36Å; R67-E71 VanDerWaalsContact O-CG 3.27Å; R67-E71 WeakPolarHBondContact O-CG 3.2Å; R67-E71 PolarHBondContact O-N 2.9Å; R67-M84 HydrophobicContact CB-CE 4.45Å; R67-M84 HydrophobicContact CB-SD 4.38Å; R67-M84 HydrophobicContact CG-CE 3.43Å; R67-M84 VanDerWaalsContact CG-CE 3.43Å; R67-M84 HydrophobicContact CG-SD 3.92Å; R67-M87 HydrophobicContact CB-CB 4.5Å; R67-M87 HydrophobicContact CB-CG 4.23Å; R67-S88 PolarHBondContact NH2-OG 3.02Å; R67-S88 VanDerWaalsContact NH2-OG 3.16Å; R67-E91 IonicContact CZ-OE1 3.22Å; R67-E91 IonicContact CZ-OE2 2.79Å; R67-E91 IonicContact NE-OE1 2.62Å; R67-E91 PolarHBondContact NE-OE1 3.36Å; R67-E91 VanDerWaalsContact NH2-CD 3.27Å; R67-E91 IonicContact NH2-OE1 3.68Å; R67-E91 PolarHBondContact NH2-OE1 3.46Å; R67-E91 IonicContact NH2-OE2 3.56Å; R67-E91 PolarHBondContact NH2-OE2 2.91Å
68	Q	98.4	Very high	98.5	Very high	93 Å²	93	79.2 Å²	79.2	44%	0.435	38%	0.376	S	S	.	.	H	α-helix	trans	-65.8	-34.5	178.1	-68.1	178.9	15.9	0	0	113.8	R64 R65 W66 K72	R64-Q68 WeakPolarHBondContact O-CG 3.5Å; R64-Q68 PolarHBondContact O-N 3.32Å; R65-Q68 PolarHBondContact O-N 3.25Å; W66-Q68 VanDerWaalsContact C-N 3.31Å; W66-Q68 PolarHBondContact O-N 3.14Å; Q68-K72 WeakPolarHBondContact O-CB 3.45Å; Q68-K72 VanDerWaalsContact O-CG 3.28Å; Q68-K72 WeakPolarHBondContact O-CG 2.98Å; Q68-K72 PolarHBondContact O-N 3.18Å
69	L	98.6	Very high	98.5	Very high	89 Å²	89	75.3 Å²	75.3	47%	0.466	36%	0.362	S	S	.	.	H	α-helix	trans	-72.3	-39.3	179.1	-71.9	173.7	0	0	0	111.9	R65 W66 R67 G73	R65-L69 HydrophobicContact CG-CD1 4.06Å; R65-L69 WeakPolarHBondContact O-CG 3.48Å; R65-L69 PolarHBondContact O-N 2.98Å; R65-L69 VanDerWaalsContact O-N 3.12Å; W66-L69 HydrophobicContact CD2-CD1 4.45Å; W66-L69 HydrophobicContact CE3-CB 4.5Å; W66-L69 HydrophobicContact CE3-CD1 4.35Å; W66-L69 PolarHBondContact O-N 3.28Å; W66-L69 VanDerWaalsContact O-N 3.12Å; R67-L69 PolarHBondContact O-N 3.34Å; L69-G73 PolarHBondContact O-N 3.42Å
70	V	98.3	Very high	98.5	Very high	4 Å²	4	76.4 Å²	76.4	2%	0.024	37%	0.366	C	S	.	.	H	α-helix	trans	-68.7	-49.1	177	174	0	0	0	0	110.1	W66 R67 K72 G73 E80 W83 M84	W66-V70 WeakPolarHBondContact O-CB 3.38Å; W66-V70 VanDerWaalsContact O-CG2 3.32Å; W66-V70 WeakPolarHBondContact O-CG2 3.4Å; W66-V70 PolarHBondContact O-N 3Å; R67-V70 PolarHBondContact O-N 2.99Å; V70-K72 VanDerWaalsContact C-N 3.29Å; V70-K72 PolarHBondContact O-N 3.41Å; V70-G73 WeakPolarHBondContact O-CA 3.49Å; V70-G73 PolarHBondContact O-N 3.48Å; V70-E80 HydrophobicContact CG1-CG 3.89Å; V70-W83 HydrophobicContact CG1-CD2 4.4Å; V70-W83 HydrophobicContact CG1-CE3 4.24Å; V70-W83 HydrophobicContact CG2-CD2 3.71Å; V70-W83 HydrophobicContact CG2-CE3 4Å; V70-W83 HydrophobicContact CG2-CG 4.19Å; V70-W83 HydrophobicContact CG2-CH2 4.25Å; V70-W83 HydrophobicContact CG2-CZ2 3.97Å; V70-W83 HydrophobicContact CG2-CZ3 4.26Å; V70-M84 HydrophobicContact CB-SD 3.95Å; V70-M84 HydrophobicContact CG1-CG 4.04Å; V70-M84 HydrophobicContact CG1-SD 3.91Å
71	E	97.3	Very high	98.4	Very high	109 Å²	109	80.5 Å²	80.5	51%	0.509	38%	0.379	S	S	.	.	H	α-helix	trans	-60	-35.2	179.6	-75.3	173	177.2	0	0	113.5	R67 G73 M84	R67-E71 WeakPolarHBondContact O-CB 3.36Å; R67-E71 VanDerWaalsContact O-CG 3.27Å; R67-E71 WeakPolarHBondContact O-CG 3.2Å; R67-E71 PolarHBondContact O-N 2.9Å; E71-G73 VanDerWaalsContact C-N 3.34Å; E71-M84 HydrophobicContact CG-CE 3.45Å; E71-M84 VanDerWaalsContact CG-CE 3.45Å; E71-M84 HydrophobicContact CG-SD 4.46Å; E71-M84 VanDerWaalsContact OE1-CE 3.24Å; E71-M84 WeakPolarHBondContact OE1-CE 3.46Å
72	K	98.1	Very high	98.4	Very high	169 Å²	169	76.4 Å²	76.4	74%	0.735	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.8	-10.1	176.5	-67.5	174.9	-176.3	170.7	0	112.7	Q68 V70	Q68-K72 WeakPolarHBondContact O-CB 3.45Å; Q68-K72 VanDerWaalsContact O-CG 3.28Å; Q68-K72 WeakPolarHBondContact O-CG 2.98Å; Q68-K72 PolarHBondContact O-N 3.18Å; V70-K72 VanDerWaalsContact C-N 3.29Å; V70-K72 PolarHBondContact O-N 3.41Å
73	G	98.1	Very high	98.4	Very high	30 Å²	30	76.6 Å²	76.6	31%	0.309	36%	0.362	S	S	.	.	S	Bend	trans	-76.2	176.4	-178.7	0	0	0	0	0	112.2	L69 V70 E71 Q75	L69-G73 PolarHBondContact O-N 3.42Å; V70-G73 WeakPolarHBondContact O-CA 3.49Å; V70-G73 PolarHBondContact O-N 3.48Å; E71-G73 VanDerWaalsContact C-N 3.34Å; G73-Q75 VanDerWaalsContact C-N 3.26Å; G73-Q75 PolarHBondContact O-N 2.98Å
74	P	98.1	Very high	98.4	Very high	127 Å²	127	77.7 Å²	77.7	83%	0.825	37%	0.368	S	S	*	.	S	Bend	trans	-83	-1.3	178.1	34.7	-36.3	0	0	0	113.4	Y76	P74-Y76 VanDerWaalsContact O-CD1 3.31Å; P74-Y76 WeakPolarHBondContact O-CD1 3.44Å
75	Q	98.3	Very high	98.4	Very high	64 Å²	64	72 Å²	72	30%	0.299	35%	0.348	S	S	.	.			trans	-77.4	138.7	178.4	-176.1	58.4	58.9	0	0	109.7	G73 E80 W83	G73-Q75 VanDerWaalsContact C-N 3.26Å; G73-Q75 PolarHBondContact O-N 2.98Å; Q75-E80 HydrophobicContact CG-CB 4.03Å; Q75-W83 HydrophobicContact CB-CZ3 4.49Å; Q75-W83 HydrophobicContact CG-CE3 4.24Å
76	Y	97.7	Very high	98.4	Very high	78 Å²	78	68.5 Å²	68.5	31%	0.306	34%	0.337	S	S	.	.			trans	-141.7	-180	179.2	53.9	-94.1	0	0	0	111	P74 E80 W285 F286	P74-Y76 VanDerWaalsContact O-CD1 3.31Å; P74-Y76 WeakPolarHBondContact O-CD1 3.44Å; Y76-E80 VanDerWaalsContact C-CB 3.43Å; Y76-E80 WeakPolarHBondContact CA-OE2 3.21Å; Y76-E80 PolarHBondContact O-N 3.44Å; Y76-W285 AromaticContact CD2-CE3 3.7Å; Y76-W285 HydrophobicContact CD2-CE3 3.7Å; Y76-W285 HydrophobicContact CD2-CH2 4.5Å; Y76-W285 AromaticContact CD2-CZ3 3.58Å; Y76-W285 HydrophobicContact CD2-CZ3 3.58Å; Y76-W285 AromaticContact CE2-CE3 3.58Å; Y76-W285 HydrophobicContact CE2-CE3 3.58Å; Y76-W285 AromaticContact CE2-CZ3 3.62Å; Y76-W285 HydrophobicContact CE2-CZ3 3.62Å; Y76-W285 HydrophobicContact CG-CZ3 4.07Å; Y76-F286 HydrophobicContact CE1-CD2 4.29Å; Y76-F286 HydrophobicContact CE2-CB 4.43Å; Y76-F286 HydrophobicContact CE2-CD2 4.41Å; Y76-F286 AromaticContact CZ-CD2 3.68Å; Y76-F286 WeakPolarHBondContact OH-CD2 3.46Å; Y76-F286 WeakPolarHBondContact OH-CG 3.47Å
77	G	98.3	Very high	98.4	Very high	27 Å²	27	64 Å²	64	28%	0.278	32%	0.32	S	S	.	.	H	α-helix	trans	79.3	-153.6	165.8	0	0	0	0	0	114.2	E80 K81	G77-E80 PolarHBondContact O-N 3.24Å; G77-K81 PolarHBondContact O-N 3.43Å
78	T	98.8	Very high	98.4	Very high	12 Å²	12	63.7 Å²	63.7	7%	0.074	33%	0.326	C	S	.	.	H	α-helix	trans	-70.8	-32.2	-178.5	61.1	0	0	0	0	111.9	K81 A82 D278 E281 D282	T78-K81 PolarHBondContact O-N 3.01Å; T78-A82 PolarHBondContact O-N 2.88Å; T78-D278 PolarHBondContact OG1-N 2.93Å; T78-D278 PolarHBondContact OG1-O 3.38Å; T78-E281 HydrophobicContact CG2-CG 4.5Å; T78-D282 WeakPolarHBondContact CB-OD1 3.4Å; T78-D282 WeakPolarHBondContact CG2-OD1 3.26Å; T78-D282 PolarHBondContact N-OD1 2.86Å; T78-D282 PolarHBondContact N-OD2 2.78Å; T78-D282 VanDerWaalsContact N-OD2 3.13Å; T78-D282 VanDerWaalsContact OG1-CG 3.24Å; T78-D282 PolarHBondContact OG1-OD1 2.8Å; T78-D282 PolarHBondContact OG1-OD2 2.99Å
79	V	98.8	Very high	98.4	Very high	56 Å²	56	60.9 Å²	60.9	34%	0.339	31%	0.313	S	S	.	.	H	α-helix	trans	-68	-36	174.6	176.5	0	0	0	0	112	A82 W83 A277 D282	V79-A82 PolarHBondContact O-N 3.32Å; V79-W83 PolarHBondContact O-N 3.43Å; V79-A277 HydrophobicContact CG2-CB 4.2Å; V79-D282 PolarHBondContact N-OD2 2.68Å
80	E	98.7	Very high	98.5	Very high	48 Å²	48	56.7 Å²	56.7	22%	0.224	29%	0.291	C	S	.	.	H	α-helix	trans	-59.4	-46.8	172	-175	-169.9	-170.5	0	0	111	V70 Q75 Y76 G77 A82 W83 M84	V70-E80 HydrophobicContact CG1-CG 3.89Å; Q75-E80 HydrophobicContact CG-CB 4.03Å; Y76-E80 VanDerWaalsContact C-CB 3.43Å; Y76-E80 WeakPolarHBondContact CA-OE2 3.21Å; Y76-E80 PolarHBondContact O-N 3.44Å; G77-E80 PolarHBondContact O-N 3.24Å; E80-A82 VanDerWaalsContact C-N 3.33Å; E80-A82 PolarHBondContact O-N 3.01Å; E80-W83 PolarHBondContact O-N 2.82Å; E80-M84 HydrophobicContact CG-CG 4.36Å; E80-M84 WeakPolarHBondContact O-CB 3.41Å; E80-M84 WeakPolarHBondContact O-CG 3.37Å; E80-M84 PolarHBondContact O-N 3.24Å
81	K	98.7	Very high	98.5	Very high	149 Å²	149	59.4 Å²	59.4	65%	0.648	30%	0.304	S	S	*	.	H	α-helix	trans	-60.8	-41.8	177.7	-66.9	175.9	-176.8	171.6	0	112.2	G77 T78 M84 A85	G77-K81 PolarHBondContact O-N 3.43Å; T78-K81 PolarHBondContact O-N 3.01Å; K81-M84 PolarHBondContact O-N 3.46Å; K81-A85 PolarHBondContact O-N 2.87Å
82	A	98.7	Very high	98.5	Very high	9 Å²	9	58.4 Å²	58.4	7%	0.074	30%	0.295	C	S	.	.	H	α-helix	trans	-62.1	-41.5	175.6	0	0	0	0	0	112.1	T78 V79 E80 A85 A277	T78-A82 PolarHBondContact O-N 2.88Å; V79-A82 PolarHBondContact O-N 3.32Å; E80-A82 VanDerWaalsContact C-N 3.33Å; E80-A82 PolarHBondContact O-N 3.01Å; A82-A85 WeakPolarHBondContact O-CB 3.36Å; A82-A85 PolarHBondContact O-N 2.95Å; A82-A277 HydrophobicContact CB-CB 4Å
83	W	98.7	Very high	98.5	Very high	108 Å²	108	50.5 Å²	50.5	41%	0.409	26%	0.261	S	S	.	.	H	α-helix	trans	-66	-44.4	175.1	-167.1	-4.8	0	0	0	111.4	W66 V70 Q75 V79 E80 A85 F86	W66-W83 HydrophobicContact CE3-CZ2 4.22Å; W66-W83 AromaticContact CZ3-CZ2 3.96Å; W66-W83 HydrophobicContact CZ3-CZ2 3.96Å; V70-W83 HydrophobicContact CG1-CD2 4.4Å; V70-W83 HydrophobicContact CG1-CE3 4.24Å; V70-W83 HydrophobicContact CG2-CD2 3.71Å; V70-W83 HydrophobicContact CG2-CE3 4Å; V70-W83 HydrophobicContact CG2-CG 4.19Å; V70-W83 HydrophobicContact CG2-CH2 4.25Å; V70-W83 HydrophobicContact CG2-CZ2 3.97Å; V70-W83 HydrophobicContact CG2-CZ3 4.26Å; Q75-W83 HydrophobicContact CB-CZ3 4.49Å; Q75-W83 HydrophobicContact CG-CE3 4.24Å; V79-W83 PolarHBondContact O-N 3.43Å; E80-W83 PolarHBondContact O-N 2.82Å; W83-A85 PolarHBondContact O-N 2.97Å; W83-A85 VanDerWaalsContact O-N 3.15Å; W83-F86 WeakPolarHBondContact O-CB 3.36Å; W83-F86 WeakPolarHBondContact O-CD2 3.45Å; W83-F86 PolarHBondContact O-N 3.46Å; W83-F86 VanDerWaalsContact O-N 3.08Å
84	M	98.8	Very high	98.6	Very high	23 Å²	23	49.2 Å²	49.2	11%	0.113	25%	0.247	C	C	.	.	H	α-helix	trans	-62	-23.2	177.7	-68.9	-74.6	-92.4	0	0	113.2	R67 V70 E71 E80 K81 F86 M87 S88	R67-M84 HydrophobicContact CB-CE 4.45Å; R67-M84 HydrophobicContact CB-SD 4.38Å; R67-M84 HydrophobicContact CG-CE 3.43Å; R67-M84 VanDerWaalsContact CG-CE 3.43Å; R67-M84 HydrophobicContact CG-SD 3.92Å; V70-M84 HydrophobicContact CB-SD 3.95Å; V70-M84 HydrophobicContact CG1-CG 4.04Å; V70-M84 HydrophobicContact CG1-SD 3.91Å; E71-M84 HydrophobicContact CG-CE 3.45Å; E71-M84 VanDerWaalsContact CG-CE 3.45Å; E71-M84 HydrophobicContact CG-SD 4.46Å; E71-M84 VanDerWaalsContact OE1-CE 3.24Å; E71-M84 WeakPolarHBondContact OE1-CE 3.46Å; E80-M84 HydrophobicContact CG-CG 4.36Å; E80-M84 WeakPolarHBondContact O-CB 3.41Å; E80-M84 WeakPolarHBondContact O-CG 3.37Å; E80-M84 PolarHBondContact O-N 3.24Å; K81-M84 PolarHBondContact O-N 3.46Å; M84-F86 VanDerWaalsContact C-N 3.26Å; M84-F86 PolarHBondContact O-N 3.18Å; M84-M87 PolarHBondContact O-N 3.06Å; M84-S88 PolarHBondContact O-N 2.99Å; M84-S88 PolarHBondContact O-OG 3.15Å
85	A	98.8	Very high	98.6	Very high	9 Å²	9	48.8 Å²	48.8	7%	0.074	23%	0.234	C	C	.	.	H	α-helix	trans	-63.4	-29.8	175.3	0	0	0	0	0	112.9	K81 A82 W83 M87 S88 E89 L270 S273	K81-A85 PolarHBondContact O-N 2.87Å; A82-A85 WeakPolarHBondContact O-CB 3.36Å; A82-A85 PolarHBondContact O-N 2.95Å; W83-A85 PolarHBondContact O-N 2.97Å; W83-A85 VanDerWaalsContact O-N 3.15Å; A85-M87 VanDerWaalsContact C-N 3.35Å; A85-S88 PolarHBondContact O-N 3.28Å; A85-E89 PolarHBondContact O-N 2.92Å; A85-L270 HydrophobicContact CB-CD1 3.78Å; A85-S273 VanDerWaalsContact CB-CB 3.44Å
86	F	98.8	Very high	98.6	Very high	86 Å²	86	46.5 Å²	46.5	38%	0.377	22%	0.224	S	C	.	.	H	α-helix	trans	-64.5	-38.7	173.8	-73.4	-97.4	0	0	0	111.9	W62 W83 M84 E89 A90 L270 I274	W62-F86 HydrophobicContact CH2-CB 4.25Å; W83-F86 WeakPolarHBondContact O-CB 3.36Å; W83-F86 WeakPolarHBondContact O-CD2 3.45Å; W83-F86 PolarHBondContact O-N 3.46Å; W83-F86 VanDerWaalsContact O-N 3.08Å; M84-F86 VanDerWaalsContact C-N 3.26Å; M84-F86 PolarHBondContact O-N 3.18Å; F86-E89 PolarHBondContact O-N 3.13Å; F86-A90 PolarHBondContact O-N 3.4Å; F86-A90 VanDerWaalsContact O-N 3.1Å; F86-L270 HydrophobicContact CD1-CD1 4.44Å; F86-L270 HydrophobicContact CD2-CD1 4.17Å; F86-L270 HydrophobicContact CE2-CD1 4.42Å; F86-L270 HydrophobicContact CG-CD1 4.18Å; F86-I274 HydrophobicContact CE2-CD1 3.64Å; F86-I274 HydrophobicContact CE2-CG1 4.02Å; F86-I274 HydrophobicContact CZ-CD1 3.63Å; F86-I274 HydrophobicContact CZ-CG1 4.49Å
87	M	98.8	Very high	98.6	Very high	1 Å²	1	44.1 Å²	44.1	1%	0.005	22%	0.216	C	C	.	.	H	α-helix	trans	-67	-39.7	175.7	-70.2	77.2	-113.9	0	0	111.2	W62 A63 W66 R67 M84 A85 E89 A90 E91	W62-M87 HydrophobicContact CH2-CE 3.24Å; W62-M87 HydrophobicContact CZ2-CE 3.73Å; W62-M87 HydrophobicContact CZ3-CE 3.72Å; W62-M87 HydrophobicContact CZ3-CG 4.46Å; A63-M87 HydrophobicContact CB-CB 4.04Å; A63-M87 HydrophobicContact CB-CG 4.41Å; A63-M87 WeakPolarHBondContact CB-O 3.5Å; A63-M87 VanDerWaalsContact O-CG 3.31Å; A63-M87 WeakPolarHBondContact O-CG 3.39Å; W66-M87 HydrophobicContact CB-CE 3.72Å; W66-M87 HydrophobicContact CB-CG 3.96Å; W66-M87 HydrophobicContact CB-SD 3.98Å; W66-M87 HydrophobicContact CG-CE 4.36Å; R67-M87 HydrophobicContact CB-CB 4.5Å; R67-M87 HydrophobicContact CB-CG 4.23Å; M84-M87 PolarHBondContact O-N 3.06Å; A85-M87 VanDerWaalsContact C-N 3.35Å; M87-E89 VanDerWaalsContact C-N 3.32Å; M87-E89 PolarHBondContact O-N 2.79Å; M87-A90 PolarHBondContact O-N 2.9Å; M87-E91 WeakPolarHBondContact O-CG 3.49Å; M87-E91 PolarHBondContact O-N 2.87Å
88	S	98.6	Very high	98.6	Very high	47 Å²	47	46.2 Å²	46.2	33%	0.329	22%	0.22	S	C	.	.	H	α-helix	trans	-66.7	-32.6	175.8	-57.2	0	0	0	0	112.7	R67 M84 A85 R92	R67-S88 PolarHBondContact NH2-OG 3.02Å; R67-S88 VanDerWaalsContact NH2-OG 3.16Å; M84-S88 PolarHBondContact O-N 2.99Å; M84-S88 PolarHBondContact O-OG 3.15Å; A85-S88 PolarHBondContact O-N 3.28Å; S88-R92 VanDerWaalsContact O-CG 3.32Å; S88-R92 WeakPolarHBondContact O-CG 3.36Å; S88-R92 PolarHBondContact O-N 2.86Å
89	E	98.7	Very high	98.6	Very high	34 Å²	34	51.3 Å²	51.3	16%	0.159	24%	0.243	C	C	.	.	H	α-helix	trans	-63.7	-51.5	171.8	175.7	-88.9	167.5	0	0	111.1	A85 F86 M87 E91 R92 V93 V266 Y267 L270	A85-E89 PolarHBondContact O-N 2.92Å; F86-E89 PolarHBondContact O-N 3.13Å; M87-E89 VanDerWaalsContact C-N 3.32Å; M87-E89 PolarHBondContact O-N 2.79Å; E89-E91 VanDerWaalsContact C-N 3.29Å; E89-E91 PolarHBondContact O-N 2.88Å; E89-R92 PolarHBondContact O-N 2.84Å; E89-V93 HydrophobicContact CG-CG2 4.4Å; E89-V93 PolarHBondContact O-N 3.36Å; E89-V93 VanDerWaalsContact OE1-CG2 3.3Å; E89-V93 WeakPolarHBondContact OE1-CG2 3.41Å; E89-V266 HydrophobicContact CB-CG1 4.16Å; E89-V266 HydrophobicContact CG-CG1 3.54Å; E89-Y267 HydrophobicContact CG-CD1 4.49Å; E89-Y267 HydrophobicContact CG-CE1 4.25Å; E89-Y267 WeakPolarHBondContact OE1-CE1 3.3Å; E89-L270 HydrophobicContact CB-CD1 4.46Å; E89-L270 HydrophobicContact CB-CD2 4.15Å; E89-L270 HydrophobicContact CG-CD2 4.01Å
90	A	98.8	Very high	98.6	Very high	1 Å²	1	49 Å²	49	1%	0.008	23%	0.229	C	C	.	.	H	α-helix	trans	-60.1	-37.9	-180	0	0	0	0	0	112.6	L59 W62 A63 F86 M87 S94	L59-A90 HydrophobicContact CB-CB 4.37Å; L59-A90 HydrophobicContact CD2-CB 4.11Å; W62-A90 HydrophobicContact CE3-CB 3.71Å; W62-A90 HydrophobicContact CZ3-CB 3.59Å; A63-A90 HydrophobicContact CB-CB 4.17Å; F86-A90 PolarHBondContact O-N 3.4Å; F86-A90 VanDerWaalsContact O-N 3.1Å; M87-A90 PolarHBondContact O-N 2.9Å; A90-S94 VanDerWaalsContact O-CB 3.25Å; A90-S94 WeakPolarHBondContact O-CB 3.22Å; A90-S94 PolarHBondContact O-N 3.33Å
91	E	98.6	Very high	98.6	Very high	60 Å²	60	49.7 Å²	49.7	28%	0.28	23%	0.231	S	C	.	.	H	α-helix	trans	-61.9	-44	173.4	-75.9	164.5	-179.6	0	0	111.7	A63 R67 M87 E89 S94 E95	A63-E91 HydrophobicContact CB-CG 3.71Å; R67-E91 IonicContact CZ-OE1 3.22Å; R67-E91 IonicContact CZ-OE2 2.79Å; R67-E91 IonicContact NE-OE1 2.62Å; R67-E91 PolarHBondContact NE-OE1 3.36Å; R67-E91 VanDerWaalsContact NH2-CD 3.27Å; R67-E91 IonicContact NH2-OE1 3.68Å; R67-E91 PolarHBondContact NH2-OE1 3.46Å; R67-E91 IonicContact NH2-OE2 3.56Å; R67-E91 PolarHBondContact NH2-OE2 2.91Å; M87-E91 WeakPolarHBondContact O-CG 3.49Å; M87-E91 PolarHBondContact O-N 2.87Å; E89-E91 VanDerWaalsContact C-N 3.29Å; E89-E91 PolarHBondContact O-N 2.88Å; E91-S94 WeakPolarHBondContact O-CB 3.49Å; E91-S94 PolarHBondContact O-N 3.11Å; E91-E95 WeakPolarHBondContact O-CG 3.44Å; E91-E95 PolarHBondContact O-N 3.01Å
92	R	98.3	Very high	98.6	Very high	89 Å²	89	44.1 Å²	44.1	34%	0.336	21%	0.213	S	C	.	.	H	α-helix	trans	-70.7	-37.9	178.7	-69.1	174.9	72.1	177.3	-0.6	112.7	S88 E89 S94 E95 L96 V266 D269	S88-R92 VanDerWaalsContact O-CG 3.32Å; S88-R92 WeakPolarHBondContact O-CG 3.36Å; S88-R92 PolarHBondContact O-N 2.86Å; E89-R92 PolarHBondContact O-N 2.84Å; R92-S94 VanDerWaalsContact C-N 3.33Å; R92-E95 PolarHBondContact O-N 2.98Å; R92-L96 WeakPolarHBondContact O-CG 3.48Å; R92-L96 PolarHBondContact O-N 2.86Å; R92-L96 VanDerWaalsContact O-N 3.13Å; R92-V266 HydrophobicContact CB-CG1 4.24Å; R92-V266 HydrophobicContact CB-CG2 3.85Å; R92-D269 IonicContact CZ-OD2 3.75Å; R92-D269 IonicContact NH1-OD2 3.67Å; R92-D269 PolarHBondContact NH1-OD2 3.42Å; R92-D269 IonicContact NH2-OD2 2.74Å; R92-D269 PolarHBondContact NH2-OD2 3.35Å
93	V	98.6	Very high	98.6	Very high	2 Å²	2	45.2 Å²	45.2	1%	0.012	22%	0.22	C	C	.	.	H	α-helix	trans	-64.8	-41.2	173	174.2	0	0	0	0	110.3	Y55 L59 E89 E95 L96 H97 V266	Y55-V93 HydrophobicContact CE1-CG1 4.19Å; L59-V93 HydrophobicContact CD1-CB 4.04Å; L59-V93 HydrophobicContact CD1-CG1 3.64Å; E89-V93 HydrophobicContact CG-CG2 4.4Å; E89-V93 PolarHBondContact O-N 3.36Å; E89-V93 VanDerWaalsContact OE1-CG2 3.3Å; E89-V93 WeakPolarHBondContact OE1-CG2 3.41Å; V93-E95 VanDerWaalsContact C-N 3.34Å; V93-E95 PolarHBondContact O-N 3.19Å; V93-L96 PolarHBondContact O-N 2.86Å; V93-H97 PolarHBondContact O-CD2 3.43Å; V93-H97 VanDerWaalsContact O-CD2 3.28Å; V93-H97 PolarHBondContact O-N 3.03Å; V93-V266 HydrophobicContact CG2-CG1 4.19Å
94	S	98.7	Very high	98.6	Very high	3 Å²	3	40.1 Å²	40.1	2%	0.021	20%	0.201	C	C	.	.	H	α-helix	trans	-55	-48.2	172.9	171	0	0	0	0	112	A56 T60 A90 E91 R92 L96 H97 L98	A56-S94 WeakPolarHBondContact CB-O 3.49Å; A56-S94 WeakPolarHBondContact CB-OG 3.49Å; A56-S94 WeakPolarHBondContact O-CB 3.36Å; A56-S94 PolarHBondContact O-OG 3.28Å; T60-S94 PolarHBondContact OG1-OG 2.94Å; A90-S94 VanDerWaalsContact O-CB 3.25Å; A90-S94 WeakPolarHBondContact O-CB 3.22Å; A90-S94 PolarHBondContact O-N 3.33Å; E91-S94 WeakPolarHBondContact O-CB 3.49Å; E91-S94 PolarHBondContact O-N 3.11Å; R92-S94 VanDerWaalsContact C-N 3.33Å; S94-L96 VanDerWaalsContact C-N 3.34Å; S94-L96 PolarHBondContact O-N 3.44Å; S94-H97 PolarHBondContact O-N 3.08Å; S94-L98 WeakPolarHBondContact O-CG 3.14Å; S94-L98 PolarHBondContact O-N 3.07Å
95	E	98.3	Very high	98.6	Very high	118 Å²	118	39.9 Å²	39.9	55%	0.551	20%	0.2	S	C	*	.	H	α-helix	trans	-56.8	-46.1	176.6	-72.4	171.7	175.6	0	0	112	E91 R92 V93 H97 L98 E99	E91-E95 WeakPolarHBondContact O-CG 3.44Å; E91-E95 PolarHBondContact O-N 3.01Å; R92-E95 PolarHBondContact O-N 2.98Å; V93-E95 VanDerWaalsContact C-N 3.34Å; V93-E95 PolarHBondContact O-N 3.19Å; E95-H97 PolarHBondContact O-N 3.25Å; E95-L98 WeakPolarHBondContact O-CB 3.39Å; E95-L98 PolarHBondContact O-N 3.01Å; E95-L98 VanDerWaalsContact O-N 3.15Å; E95-E99 WeakPolarHBondContact O-CG 3.35Å; E95-E99 PolarHBondContact O-N 3.49Å
96	L	98.2	Very high	98.6	Very high	16 Å²	16	44.5 Å²	44.5	8%	0.084	22%	0.223	C	C	.	.	H	α-helix	trans	-60.2	-43.7	177.4	-69.1	172	0	0	0	112.3	R92 V93 S94 L98 E99 V100 L257 V260 Y263 V266	R92-L96 WeakPolarHBondContact O-CG 3.48Å; R92-L96 PolarHBondContact O-N 2.86Å; R92-L96 VanDerWaalsContact O-N 3.13Å; V93-L96 PolarHBondContact O-N 2.86Å; S94-L96 VanDerWaalsContact C-N 3.34Å; S94-L96 PolarHBondContact O-N 3.44Å; L96-L98 VanDerWaalsContact C-N 3.32Å; L96-L98 PolarHBondContact O-N 3.48Å; L96-E99 WeakPolarHBondContact O-CB 3.31Å; L96-E99 PolarHBondContact O-N 3.09Å; L96-V100 WeakPolarHBondContact O-CG2 3.42Å; L96-V100 PolarHBondContact O-N 3.23Å; L96-L257 HydrophobicContact CB-CD2 4.3Å; L96-V260 HydrophobicContact CD2-CG1 4.07Å; L96-Y263 HydrophobicContact CD1-CD2 3.66Å; L96-Y263 HydrophobicContact CD1-CG 4.41Å; L96-V266 HydrophobicContact CD1-CG2 4.38Å
97	H	98.6	Very high	98.6	Very high	29 Å²	29	44.5 Å²	44.5	13%	0.134	23%	0.227	C	C	.	.	H	α-helix	trans	-68.6	-30.2	177	-80.7	-90.7	0	0	0	112.7	E52 Y55 A56 V93 S94 E95 V100 K101	E52-H97 IonicContact OE2-CE1 2.69Å; E52-H97 PolarHBondContact OE2-CE1 3.2Å; E52-H97 IonicContact OE2-CG 2.72Å; E52-H97 IonicContact OE2-ND1 2.75Å; E52-H97 PolarHBondContact OE2-ND1 2.85Å; Y55-H97 HydrophobicContact CD1-CB 4.48Å; Y55-H97 AromaticContact CD1-CD2 3.76Å; Y55-H97 AromaticContact CD1-CE1 3.72Å; Y55-H97 AromaticContact CD1-CG 3.76Å; Y55-H97 AromaticContact CD1-ND1 3.73Å; Y55-H97 AromaticContact CD1-NE2 3.75Å; Y55-H97 AromaticContact CE1-CD2 3.7Å; Y55-H97 AromaticContact CE1-CE1 3.84Å; Y55-H97 AromaticContact CE1-NE2 3.47Å; Y55-H97 WeakPolarHBondContact CE1-NE2 3.31Å; A56-H97 HydrophobicContact CB-CB 4.03Å; V93-H97 PolarHBondContact O-CD2 3.43Å; V93-H97 VanDerWaalsContact O-CD2 3.28Å; V93-H97 PolarHBondContact O-N 3.03Å; S94-H97 PolarHBondContact O-N 3.08Å; E95-H97 PolarHBondContact O-N 3.25Å; H97-V100 PolarHBondContact O-N 3.39Å; H97-K101 PolarHBondContact O-N 3.34Å
98	L	98.6	Very high	98.6	Very high	70 Å²	70	44.5 Å²	44.5	37%	0.366	23%	0.227	S	C	.	.	H	α-helix	trans	-68	-34.8	170.4	-70.5	175.1	0	0	0	112.2	K53 A56 S94 E95 L96 K101 A102	K53-L98 HydrophobicContact CG-CD2 4.3Å; A56-L98 HydrophobicContact CB-CD2 3.91Å; A56-L98 HydrophobicContact CB-CG 3.75Å; S94-L98 WeakPolarHBondContact O-CG 3.14Å; S94-L98 PolarHBondContact O-N 3.07Å; E95-L98 WeakPolarHBondContact O-CB 3.39Å; E95-L98 PolarHBondContact O-N 3.01Å; E95-L98 VanDerWaalsContact O-N 3.15Å; L96-L98 VanDerWaalsContact C-N 3.32Å; L96-L98 PolarHBondContact O-N 3.48Å; L98-K101 PolarHBondContact O-N 3.12Å; L98-A102 WeakPolarHBondContact O-CB 3.44Å; L98-A102 PolarHBondContact O-N 3.12Å
99	E	98.2	Very high	98.6	Very high	119 Å²	119	44 Å²	44	56%	0.556	22%	0.219	S	C	*	.	H	α-helix	trans	-65.1	-45.2	172	-70.4	177.8	176.8	0	0	111.3	E95 L96 K101 A102 S103	E95-E99 WeakPolarHBondContact O-CG 3.35Å; E95-E99 PolarHBondContact O-N 3.49Å; L96-E99 WeakPolarHBondContact O-CB 3.31Å; L96-E99 PolarHBondContact O-N 3.09Å; E99-K101 VanDerWaalsContact C-N 3.32Å; E99-K101 PolarHBondContact O-N 2.92Å; E99-A102 CarbonylContact O-C 3.59Å; E99-A102 WeakPolarHBondContact O-CA 3.37Å; E99-A102 WeakPolarHBondContact O-CB 3.15Å; E99-A102 PolarHBondContact O-N 3.33Å; E99-S103 PolarHBondContact O-N 2.95Å
100	V	98.5	Very high	98.6	Very high	7 Å²	7	45.3 Å²	45.3	4%	0.042	23%	0.225	C	C	.	.	H	α-helix	trans	-54.7	-50.7	173.2	176.1	0	0	0	0	110.3	E52 L96 H97 A102 S103 L104 H254 L255 L257	E52-V100 HydrophobicContact CG-CG1 3.98Å; L96-V100 WeakPolarHBondContact O-CG2 3.42Å; L96-V100 PolarHBondContact O-N 3.23Å; H97-V100 PolarHBondContact O-N 3.39Å; V100-A102 PolarHBondContact O-N 3.36Å; V100-S103 PolarHBondContact O-N 3.06Å; V100-L104 HydrophobicContact CG1-CD1 4.14Å; V100-L104 HydrophobicContact CG1-CG 4.39Å; V100-L104 VanDerWaalsContact O-CG 3.32Å; V100-L104 WeakPolarHBondContact O-CG 3.3Å; V100-L104 PolarHBondContact O-N 3.41Å; V100-H254 WeakPolarHBondContact CG2-O 3.49Å; V100-L255 HydrophobicContact CG1-CD2 3.64Å; V100-L257 HydrophobicContact CG2-CD2 3.67Å; V100-L257 HydrophobicContact CG2-CG 4.38Å
101	K	98.8	Very high	98.6	Very high	64 Å²	64	48 Å²	48	28%	0.278	24%	0.237	S	C	.	.	H	α-helix	trans	-57	-39.5	175.8	179.1	-93.1	166.4	-156.7	0	111.9	A49 E52 K53 H97 L98 E99 M105	A49-K101 HydrophobicContact CB-CG 3.97Å; A49-K101 VanDerWaalsContact O-CG 3.22Å; A49-K101 WeakPolarHBondContact O-CG 3.35Å; E52-K101 HydrophobicContact CB-CB 4.11Å; K53-K101 HydrophobicContact CB-CG 4.18Å; H97-K101 PolarHBondContact O-N 3.34Å; L98-K101 PolarHBondContact O-N 3.12Å; E99-K101 VanDerWaalsContact C-N 3.32Å; E99-K101 PolarHBondContact O-N 2.92Å; K101-M105 WeakPolarHBondContact O-CB 3.29Å; K101-M105 VanDerWaalsContact O-CG 3.24Å; K101-M105 WeakPolarHBondContact O-CG 3.34Å; K101-M105 PolarHBondContact O-N 2.8Å
102	A	98.7	Very high	98.6	Very high	32 Å²	32	45.2 Å²	45.2	26%	0.264	22%	0.224	S	C	.	.	H	α-helix	trans	-67.1	-46.8	-179.7	0	0	0	0	0	111	L98 E99 V100 M105 N106	L98-A102 WeakPolarHBondContact O-CB 3.44Å; L98-A102 PolarHBondContact O-N 3.12Å; E99-A102 CarbonylContact O-C 3.59Å; E99-A102 WeakPolarHBondContact O-CA 3.37Å; E99-A102 WeakPolarHBondContact O-CB 3.15Å; E99-A102 PolarHBondContact O-N 3.33Å; V100-A102 PolarHBondContact O-N 3.36Å; A102-M105 PolarHBondContact O-N 3.04Å; A102-N106 VanDerWaalsContact O-CB 3.24Å; A102-N106 WeakPolarHBondContact O-CB 3.37Å; A102-N106 VanDerWaalsContact O-CG 3.31Å; A102-N106 PolarHBondContact O-N 2.92Å; A102-N106 PolarHBondContact O-ND2 3.17Å
103	S	98.7	Very high	98.6	Very high	32 Å²	32	45.1 Å²	45.1	22%	0.224	23%	0.226	C	C	.	.	H	α-helix	trans	-62.7	-45.1	177.1	-69.2	0	0	0	0	112.4	E99 V100 M105 D107 D108	E99-S103 PolarHBondContact O-N 2.95Å; V100-S103 PolarHBondContact O-N 3.06Å; S103-M105 PolarHBondContact O-N 3.35Å; S103-D107 WeakPolarHBondContact CA-OD2 3.48Å; S103-D107 WeakPolarHBondContact O-CA 3.38Å; S103-D107 VanDerWaalsContact O-CB 3.28Å; S103-D107 WeakPolarHBondContact O-CB 3.39Å; S103-D107 PolarHBondContact O-N 3.39Å; S103-D108 PolarHBondContact O-N 3.12Å; S103-D108 VanDerWaalsContact O-N 3.15Å
104	L	98.8	Very high	98.6	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	25%	0.245	C	C	.	.	I	π-helix	trans	-55.3	-39.7	176	-70.5	176.6	0	0	0	112.1	R48 A49 E52 V100 F109 V251 L255	R48-L104 HydrophobicContact CG-CD1 4.06Å; A49-L104 HydrophobicContact CB-CB 4.19Å; A49-L104 HydrophobicContact CB-CD1 4.07Å; E52-L104 HydrophobicContact CG-CD1 4.44Å; V100-L104 HydrophobicContact CG1-CD1 4.14Å; V100-L104 HydrophobicContact CG1-CG 4.39Å; V100-L104 VanDerWaalsContact O-CG 3.32Å; V100-L104 WeakPolarHBondContact O-CG 3.3Å; V100-L104 PolarHBondContact O-N 3.41Å; L104-F109 VanDerWaalsContact O-CB 3.29Å; L104-F109 WeakPolarHBondContact O-CB 3.5Å; L104-F109 PolarHBondContact O-N 3.16Å; L104-V251 HydrophobicContact CD2-CG1 3.89Å; L104-V251 HydrophobicContact CD2-CG2 4.44Å; L104-L255 HydrophobicContact CD1-CD2 3.93Å; L104-L255 HydrophobicContact CD2-CD2 4.2Å; L104-L255 HydrophobicContact CD2-CG 4.39Å; L104-L255 HydrophobicContact CG-CD2 4.43Å
105	M	98.8	Very high	98.6	Very high	18 Å²	18	50.9 Å²	50.9	9%	0.089	25%	0.253	C	S	.	.	I	π-helix	trans	-92.5	-40	-172.2	-64.5	-65.5	93	0	0	114.3	L45 H46 A49 K101 A102 S103 F109	L45-M105 VanDerWaalsContact C-CE 3.47Å; L45-M105 HydrophobicContact CB-CE 4.05Å; L45-M105 WeakPolarHBondContact O-CE 3.32Å; H46-M105 VanDerWaalsContact CA-CE 3.45Å; H46-M105 HydrophobicContact CB-CE 4.17Å; H46-M105 HydrophobicContact CB-SD 4.12Å; H46-M105 VanDerWaalsContact CD2-SD 3.56Å; A49-M105 HydrophobicContact CB-CE 3.56Å; A49-M105 HydrophobicContact CB-CG 3.66Å; A49-M105 HydrophobicContact CB-SD 3.72Å; K101-M105 WeakPolarHBondContact O-CB 3.29Å; K101-M105 VanDerWaalsContact O-CG 3.24Å; K101-M105 WeakPolarHBondContact O-CG 3.34Å; K101-M105 PolarHBondContact O-N 2.8Å; A102-M105 PolarHBondContact O-N 3.04Å; S103-M105 PolarHBondContact O-N 3.35Å; M105-F109 HydrophobicContact CE-CB 3.9Å; M105-F109 HydrophobicContact CE-CD2 4.15Å; M105-F109 HydrophobicContact CE-CG 4.33Å; M105-F109 WeakPolarHBondContact O-CB 3.48Å; M105-F109 HydrophobicContact SD-CD2 4.47Å
106	N	98.6	Very high	98.6	Very high	106 Å²	106	46.4 Å²	46.4	57%	0.567	23%	0.232	S	C	*	.	I	π-helix	trans	-87.7	-27.7	-174.7	-60.1	-20.5	0	0	0	111.6	A102	A102-N106 VanDerWaalsContact O-CB 3.24Å; A102-N106 WeakPolarHBondContact O-CB 3.37Å; A102-N106 VanDerWaalsContact O-CG 3.31Å; A102-N106 PolarHBondContact O-N 2.92Å; A102-N106 PolarHBondContact O-ND2 3.17Å
107	D	98.5	Very high	98.6	Very high	87 Å²	87	53.2 Å²	53.2	47%	0.465	26%	0.261	S	S	.	.	I	π-helix	trans	-104.6	-68	-178.6	-51.1	-39.9	0	0	0	109.9	S103 K111	S103-D107 WeakPolarHBondContact CA-OD2 3.48Å; S103-D107 WeakPolarHBondContact O-CA 3.38Å; S103-D107 VanDerWaalsContact O-CB 3.28Å; S103-D107 WeakPolarHBondContact O-CB 3.39Å; S103-D107 PolarHBondContact O-N 3.39Å; D107-K111 WeakPolarHBondContact O-CB 3.47Å; D107-K111 PolarHBondContact O-N 3.42Å
108	D	98.8	Very high	98.6	Very high	1 Å²	1	58.8 Å²	58.8	1%	0.005	29%	0.287	C	S	.	.	I	π-helix	trans	-67.6	-49.2	-169.6	-56.2	-41.7	0	0	0	112.5	L45 S103 K111 I112 V247 V251 H254	L45-D108 HydrophobicContact CD1-CB 3.91Å; S103-D108 PolarHBondContact O-N 3.12Å; S103-D108 VanDerWaalsContact O-N 3.15Å; D108-K111 PolarHBondContact O-N 3.11Å; D108-I112 WeakPolarHBondContact O-CG1 3.47Å; D108-I112 PolarHBondContact O-N 3.48Å; D108-V247 HydrophobicContact CB-CG1 4.45Å; D108-V251 HydrophobicContact CB-CG2 3.76Å; D108-V251 WeakPolarHBondContact OD2-CG2 3.38Å; D108-H254 VanDerWaalsContact CG-ND1 3.29Å; D108-H254 IonicContact OD1-CE1 2.75Å; D108-H254 PolarHBondContact OD1-CE1 2.82Å; D108-H254 VanDerWaalsContact OD1-CE1 3.22Å; D108-H254 IonicContact OD1-ND1 3.08Å; D108-H254 PolarHBondContact OD1-ND1 2.89Å; D108-H254 VanDerWaalsContact OD1-ND1 3.12Å; D108-H254 IonicContact OD2-CE1 3.48Å; D108-H254 IonicContact OD2-CG 3.17Å; D108-H254 IonicContact OD2-ND1 2.71Å; D108-H254 PolarHBondContact OD2-ND1 2.94Å
109	F	98.8	Very high	98.6	Very high	37 Å²	37	56.2 Å²	56.2	16%	0.162	28%	0.275	C	S	.	.	I	π-helix	trans	-63.1	-48.4	179.2	177.5	-80	0	0	0	111.9	M42 H46 L104 M105 K111 I112 K113	M42-F109 HydrophobicContact CB-CD2 3.78Å; M42-F109 HydrophobicContact CB-CE2 3.56Å; M42-F109 HydrophobicContact CB-CZ 4.31Å; M42-F109 HydrophobicContact CG-CD2 4Å; M42-F109 HydrophobicContact CG-CE2 4.04Å; M42-F109 HydrophobicContact CG-CG 4.47Å; M42-F109 WeakPolarHBondContact O-CD2 3.5Å; M42-F109 HydrophobicContact SD-CE1 4.43Å; M42-F109 HydrophobicContact SD-CE2 4.32Å; M42-F109 HydrophobicContact SD-CZ 4.2Å; H46-F109 HydrophobicContact CB-CD2 4.38Å; H46-F109 HydrophobicContact CB-CE2 4.24Å; L104-F109 VanDerWaalsContact O-CB 3.29Å; L104-F109 WeakPolarHBondContact O-CB 3.5Å; L104-F109 PolarHBondContact O-N 3.16Å; M105-F109 HydrophobicContact CE-CB 3.9Å; M105-F109 HydrophobicContact CE-CD2 4.15Å; M105-F109 HydrophobicContact CE-CG 4.33Å; M105-F109 WeakPolarHBondContact O-CB 3.48Å; M105-F109 HydrophobicContact SD-CD2 4.47Å; F109-K111 VanDerWaalsContact C-N 3.3Å; F109-K111 PolarHBondContact O-N 2.89Å; F109-I112 PolarHBondContact O-N 3.32Å; F109-K113 HydrophobicContact CE1-CD 3.92Å; F109-K113 WeakPolarHBondContact O-CB 3.38Å; F109-K113 PolarHBondContact O-N 2.86Å
110	E	98.7	Very high	98.6	Very high	60 Å²	60	51 Å²	51	28%	0.28	25%	0.251	S	S	.	.	H	α-helix	trans	-67.2	-31.8	178.5	-71.7	-62.7	136.9	0	0	111.6	K113 N114	E110-K113 VanDerWaalsContact CD-NZ 3.26Å; E110-K113 PolarHBondContact O-N 3.05Å; E110-K113 IonicContact OE1-NZ 3.77Å; E110-K113 PolarHBondContact OE1-NZ 3.34Å; E110-K113 IonicContact OE2-NZ 3.85Å; E110-K113 PolarHBondContact OE2-NZ 3.05Å; E110-N114 VanDerWaalsContact O-CB 3.28Å; E110-N114 WeakPolarHBondContact O-CB 3.44Å; E110-N114 PolarHBondContact O-N 3.18Å; E110-N114 PolarHBondContact O-ND2 2.87Å
111	K	98.8	Very high	98.5	Very high	59 Å²	59	54.9 Å²	54.9	26%	0.257	27%	0.269	S	S	.	.	H	α-helix	trans	-61.1	-46.1	172.3	-174.7	172.9	-179.7	-179.3	0	111.5	D107 D108 F109 W115 F243 E246 V247 E250	D107-K111 WeakPolarHBondContact O-CB 3.47Å; D107-K111 PolarHBondContact O-N 3.42Å; D108-K111 PolarHBondContact O-N 3.11Å; F109-K111 VanDerWaalsContact C-N 3.3Å; F109-K111 PolarHBondContact O-N 2.89Å; K111-W115 WeakPolarHBondContact O-CB 3.44Å; K111-W115 PolarHBondContact O-N 2.79Å; K111-F243 HydrophobicContact CG-CE2 4.02Å; K111-F243 HydrophobicContact CG-CZ 4.16Å; K111-E246 IonicContact NZ-OE1 3.32Å; K111-E246 PolarHBondContact NZ-OE1 3.26Å; K111-V247 HydrophobicContact CD-CG2 4.18Å; K111-V247 HydrophobicContact CG-CG2 4.41Å; K111-E250 WeakPolarHBondContact CD-OE2 3.21Å; K111-E250 IonicContact NZ-OE1 3.45Å; K111-E250 PolarHBondContact NZ-OE1 3.35Å; K111-E250 IonicContact NZ-OE2 2.9Å; K111-E250 PolarHBondContact NZ-OE2 2.88Å
112	I	98.8	Very high	98.3	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-62.8	-46.1	175	-60.1	158.3	0	0	0	111	C38 L41 M42 L45 D108 F109 N114 W115 Q116 F243 V247	C38-I112 HydrophobicContact CB-CG2 3.95Å; L41-I112 HydrophobicContact CB-CD1 4.45Å; L41-I112 HydrophobicContact CD2-CD1 3.68Å; L41-I112 HydrophobicContact CD2-CG1 4.28Å; L41-I112 HydrophobicContact CG-CD1 3.73Å; M42-I112 HydrophobicContact CG-CB 3.75Å; M42-I112 HydrophobicContact CG-CD1 4.2Å; M42-I112 HydrophobicContact CG-CG2 3.55Å; M42-I112 HydrophobicContact SD-CB 4.29Å; M42-I112 HydrophobicContact SD-CG2 4.08Å; L45-I112 HydrophobicContact CD1-CD1 3.59Å; D108-I112 WeakPolarHBondContact O-CG1 3.47Å; D108-I112 PolarHBondContact O-N 3.48Å; F109-I112 PolarHBondContact O-N 3.32Å; I112-N114 PolarHBondContact O-N 2.71Å; I112-W115 PolarHBondContact O-N 3.24Å; I112-Q116 WeakPolarHBondContact O-CB 3.24Å; I112-Q116 PolarHBondContact O-N 3.47Å; I112-F243 HydrophobicContact CB-CE1 4.44Å; I112-F243 HydrophobicContact CG1-CE1 4.2Å; I112-F243 HydrophobicContact CG1-CZ 4.3Å; I112-F243 HydrophobicContact CG2-CE1 4.47Å; I112-V247 HydrophobicContact CD1-CG1 3.93Å; I112-V247 HydrophobicContact CG1-CG1 3.92Å; I112-V247 HydrophobicContact CG1-CG2 4.32Å
113	K	98.8	Very high	98	Very high	88 Å²	88	61.2 Å²	61.2	38%	0.383	29%	0.291	S	S	.	.	H	α-helix	trans	-61	-43.6	-179.2	-176	173.6	158.3	-147.8	0	112.6	M42 F109 E110 K117	M42-K113 HydrophobicContact SD-CB 3.6Å; M42-K113 VanDerWaalsContact SD-CB 3.6Å; M42-K113 HydrophobicContact SD-CG 4.27Å; F109-K113 HydrophobicContact CE1-CD 3.92Å; F109-K113 WeakPolarHBondContact O-CB 3.38Å; F109-K113 PolarHBondContact O-N 2.86Å; E110-K113 VanDerWaalsContact CD-NZ 3.26Å; E110-K113 PolarHBondContact O-N 3.05Å; E110-K113 IonicContact OE1-NZ 3.77Å; E110-K113 PolarHBondContact OE1-NZ 3.34Å; E110-K113 IonicContact OE2-NZ 3.85Å; E110-K113 PolarHBondContact OE2-NZ 3.05Å; K113-K117 WeakPolarHBondContact O-CB 3.25Å; K113-K117 PolarHBondContact O-N 2.76Å
114	N	98.7	Very high	97.3	Very high	79 Å²	79	69.3 Å²	69.3	42%	0.422	33%	0.328	S	S	.	.	H	α-helix	trans	-66.6	-46	177.3	-70.8	-31.9	0	0	0	110.8	E110 I112 Q116 K117 E118	E110-N114 VanDerWaalsContact O-CB 3.28Å; E110-N114 WeakPolarHBondContact O-CB 3.44Å; E110-N114 PolarHBondContact O-N 3.18Å; E110-N114 PolarHBondContact O-ND2 2.87Å; I112-N114 PolarHBondContact O-N 2.71Å; N114-Q116 PolarHBondContact O-N 3.46Å; N114-K117 PolarHBondContact O-N 3.48Å; N114-E118 WeakPolarHBondContact O-CG 3.48Å; N114-E118 PolarHBondContact O-N 3.12Å
115	W	98.8	Very high	96.4	Very high	47 Å²	47	77.6 Å²	77.6	18%	0.178	37%	0.369	C	S	.	.	H	α-helix	trans	-60.6	-44.1	175.9	-174.4	90.4	0	0	0	112.2	K111 I112 K117 E118 A119 F120 K239 R240 F243	K111-W115 WeakPolarHBondContact O-CB 3.44Å; K111-W115 PolarHBondContact O-N 2.79Å; I112-W115 PolarHBondContact O-N 3.24Å; W115-K117 VanDerWaalsContact C-N 3.31Å; W115-K117 PolarHBondContact O-N 3.08Å; W115-E118 PolarHBondContact O-N 3.31Å; W115-A119 HydrophobicContact CD2-CB 4.25Å; W115-A119 HydrophobicContact CE3-CB 4.15Å; W115-A119 HydrophobicContact CH2-CB 3.87Å; W115-A119 HydrophobicContact CZ2-CB 4.02Å; W115-A119 HydrophobicContact CZ3-CB 3.97Å; W115-A119 VanDerWaalsContact O-CB 3.23Å; W115-A119 WeakPolarHBondContact O-CB 3.37Å; W115-A119 PolarHBondContact O-N 3.33Å; W115-F120 HydrophobicContact CH2-CE2 4.31Å; W115-F120 AromaticContact CZ3-CE2 3.83Å; W115-F120 HydrophobicContact CZ3-CE2 3.83Å; W115-K239 HydrophobicContact CZ2-CB 4.49Å; W115-R240 HydrophobicContact CH2-CB 3.63Å; W115-R240 HydrophobicContact CH2-CG 3.68Å; W115-R240 HydrophobicContact CZ2-CB 4.22Å; W115-R240 HydrophobicContact CZ3-CB 4.45Å; W115-R240 HydrophobicContact CZ3-CG 4.01Å; W115-F243 HydrophobicContact CB-CD1 4.35Å; W115-F243 HydrophobicContact CB-CD2 4.41Å; W115-F243 HydrophobicContact CB-CE1 3.72Å; W115-F243 HydrophobicContact CB-CE2 3.77Å; W115-F243 HydrophobicContact CB-CZ 3.39Å; W115-F243 AromaticContact CD1-CD2 3.65Å; W115-F243 AromaticContact CD1-CE2 3.81Å; W115-F243 AromaticContact CD1-CG 3.86Å; W115-F243 AromaticContact CD2-CD1 3.55Å; W115-F243 HydrophobicContact CD2-CD1 3.55Å; W115-F243 HydrophobicContact CD2-CD2 4.38Å; W115-F243 AromaticContact CD2-CE1 3.76Å; W115-F243 HydrophobicContact CD2-CE1 3.76Å; W115-F243 AromaticContact CD2-CG 3.9Å; W115-F243 HydrophobicContact CD2-CG 3.9Å; W115-F243 HydrophobicContact CD2-CZ 4.25Å; W115-F243 AromaticContact CE2-CD1 3.95Å; W115-F243 AromaticContact CE2-CG 3.91Å; W115-F243 AromaticContact CE3-CD1 3.79Å; W115-F243 HydrophobicContact CE3-CD1 3.79Å; W115-F243 AromaticContact CE3-CE1 3.91Å; W115-F243 HydrophobicContact CE3-CE1 3.91Å; W115-F243 AromaticContact CG-CD1 3.79Å; W115-F243 HydrophobicContact CG-CD1 3.79Å; W115-F243 AromaticContact CG-CD2 3.89Å; W115-F243 HydrophobicContact CG-CD2 3.89Å; W115-F243 AromaticContact CG-CE1 3.66Å; W115-F243 HydrophobicContact CG-CE1 3.66Å; W115-F243 AromaticContact CG-CE2 3.75Å; W115-F243 HydrophobicContact CG-CE2 3.75Å; W115-F243 AromaticContact CG-CG 3.91Å; W115-F243 HydrophobicContact CG-CG 3.91Å; W115-F243 AromaticContact CG-CZ 3.65Å; W115-F243 HydrophobicContact CG-CZ 3.65Å; W115-F243 HydrophobicContact CZ2-CB 4.42Å; W115-F243 HydrophobicContact CZ3-CD1 4.41Å; W115-F243 AromaticContact NE1-CD2 3.99Å; W115-F243 AromaticContact NE1-CG 3.83Å
116	Q	98.5	Very high	95.5	Very high	23 Å²	23	79 Å²	79	11%	0.107	39%	0.387	C	S	.	.	H	α-helix	trans	-59.1	-43.6	176.8	-174.7	-171.3	51.7	0	0	111	H35 C38 S39 M42 I112 N114 E118 A119 F120	H35-Q116 PolarHBondContact CE1-NE2 3.38Å; H35-Q116 VanDerWaalsContact CE1-NE2 3.35Å; H35-Q116 PolarHBondContact NE2-NE2 3.27Å; H35-Q116 PolarHBondContact O-NE2 3.42Å; C38-Q116 HydrophobicContact CB-CB 4.1Å; C38-Q116 HydrophobicContact CB-CG 3.95Å; S39-Q116 PolarHBondContact OG-NE2 2.98Å; M42-Q116 VanDerWaalsContact CE-OE1 3.3Å; I112-Q116 WeakPolarHBondContact O-CB 3.24Å; I112-Q116 PolarHBondContact O-N 3.47Å; N114-Q116 PolarHBondContact O-N 3.46Å; Q116-E118 VanDerWaalsContact C-N 3.34Å; Q116-E118 PolarHBondContact O-N 2.92Å; Q116-A119 PolarHBondContact O-N 3.14Å; Q116-F120 HydrophobicContact CG-CD2 4.05Å; Q116-F120 WeakPolarHBondContact O-CB 3.21Å; Q116-F120 WeakPolarHBondContact O-CD2 3.34Å; Q116-F120 PolarHBondContact O-N 3.09Å
117	K	97.9	Very high	95.1	Very high	160 Å²	160	76.1 Å²	76.1	70%	0.696	38%	0.375	S	S	*	.	H	α-helix	trans	-65.2	-35.6	178	-176.5	-176.4	175.4	-171.5	0	112.9	K113 N114 W115	K113-K117 WeakPolarHBondContact O-CB 3.25Å; K113-K117 PolarHBondContact O-N 2.76Å; N114-K117 PolarHBondContact O-N 3.48Å; W115-K117 VanDerWaalsContact C-N 3.31Å; W115-K117 PolarHBondContact O-N 3.08Å
118	E	98.1	Very high	95	Very high	146 Å²	146	73.2 Å²	73.2	68%	0.682	36%	0.359	S	S	*	.	H	α-helix	trans	-79.6	-30.5	178.2	-71.2	179	-177.3	0	0	113	N114 W115 Q116 H121	N114-E118 WeakPolarHBondContact O-CG 3.48Å; N114-E118 PolarHBondContact O-N 3.12Å; W115-E118 PolarHBondContact O-N 3.31Å; Q116-E118 VanDerWaalsContact C-N 3.34Å; Q116-E118 PolarHBondContact O-N 2.92Å; E118-H121 PolarHBondContact O-CE1 2.93Å
119	A	97.9	Very high	95	Very high	15 Å²	15	77.3 Å²	77.3	12%	0.124	38%	0.377	C	S	.	.	H	α-helix	trans	-84.5	-30.2	-177.9	0	0	0	0	0	113.2	W115 Q116 F236	W115-A119 HydrophobicContact CD2-CB 4.25Å; W115-A119 HydrophobicContact CE3-CB 4.15Å; W115-A119 HydrophobicContact CH2-CB 3.87Å; W115-A119 HydrophobicContact CZ2-CB 4.02Å; W115-A119 HydrophobicContact CZ3-CB 3.97Å; W115-A119 VanDerWaalsContact O-CB 3.23Å; W115-A119 WeakPolarHBondContact O-CB 3.37Å; W115-A119 PolarHBondContact O-N 3.33Å; Q116-A119 PolarHBondContact O-N 3.14Å; A119-F236 HydrophobicContact CB-CZ 4.43Å
120	F	98	Very high	94.9	Very high	10 Å²	10	76.9 Å²	76.9	4%	0.044	38%	0.375	C	S	.	.			trans	-124.8	118.7	-172.5	-61.2	-80.6	0	0	0	112.4	I31 H35 W115 Q116 F128 F236	I31-F120 HydrophobicContact CG2-CE1 4.07Å; I31-F120 VanDerWaalsContact O-CE1 3.25Å; I31-F120 WeakPolarHBondContact O-CE1 3.32Å; H35-F120 HydrophobicContact CB-CD1 3.86Å; H35-F120 HydrophobicContact CB-CD2 3.94Å; H35-F120 HydrophobicContact CB-CE1 3.89Å; H35-F120 HydrophobicContact CB-CE2 3.98Å; H35-F120 HydrophobicContact CB-CG 3.88Å; H35-F120 HydrophobicContact CB-CZ 3.96Å; H35-F120 AromaticContact CD2-CD2 3.86Å; H35-F120 AromaticContact CD2-CG 3.78Å; H35-F120 VanDerWaalsContact N-CZ 3.32Å; W115-F120 HydrophobicContact CH2-CE2 4.31Å; W115-F120 AromaticContact CZ3-CE2 3.83Å; W115-F120 HydrophobicContact CZ3-CE2 3.83Å; Q116-F120 HydrophobicContact CG-CD2 4.05Å; Q116-F120 WeakPolarHBondContact O-CB 3.21Å; Q116-F120 WeakPolarHBondContact O-CD2 3.34Å; Q116-F120 PolarHBondContact O-N 3.09Å; F120-F128 HydrophobicContact CB-CD1 3.86Å; F120-F128 HydrophobicContact CB-CE1 3.99Å; F120-F128 HydrophobicContact CB-CG 4.43Å; F120-F128 HydrophobicContact CD1-CG 4.48Å; F120-F236 HydrophobicContact CD1-CE1 4.49Å; F120-F236 HydrophobicContact CD1-CZ 4.19Å; F120-F236 AromaticContact CE1-CE1 3.67Å; F120-F236 HydrophobicContact CE1-CE1 3.67Å; F120-F236 AromaticContact CE1-CZ 3.71Å; F120-F236 HydrophobicContact CE1-CZ 3.71Å; F120-F236 AromaticContact CZ-CE1 3.96Å; F120-F236 HydrophobicContact CZ-CE1 3.96Å; F120-F236 AromaticContact CZ-CZ 3.98Å; F120-F236 HydrophobicContact CZ-CZ 3.98Å
121	H	98	Very high	94.9	Very high	89 Å²	89	74.7 Å²	74.7	41%	0.412	37%	0.366	S	S	.	.			trans	-110.1	104.2	-175.7	-58.9	88.1	0	0	0	111.3	E118 Q123 K129 E130	E118-H121 PolarHBondContact O-CE1 2.93Å; H121-Q123 PolarHBondContact O-N 3.24Å; H121-K129 HydrophobicContact CB-CB 4.07Å; H121-K129 PolarHBondContact O-N 2.8Å; H121-E130 IonicContact CE1-OE1 2.66Å; H121-E130 IonicContact CG-OE1 3.54Å; H121-E130 PolarHBondContact N-OE2 3.25Å; H121-E130 IonicContact ND1-OE1 3.76Å; H121-E130 PolarHBondContact ND1-OE1 3.47Å
122	K	94.4	Very high	94.8	Very high	163 Å²	163	76.6 Å²	76.6	71%	0.709	37%	0.374	S	S	*	.	B	Isolated β-bridge	trans	-67.2	130.2	-179.8	-163	169.6	-173.4	172.2	0	111.5	F128	K122-F128 HydrophobicContact CB-CD1 4.4Å; K122-F128 HydrophobicContact CB-CE1 4.32Å
123	Q	92.5	Very high	94.8	Very high	65 Å²	65	82 Å²	82	30%	0.304	40%	0.399	S	S	.	.			trans	-93.1	163.3	175.9	-59.8	-167.5	-31.6	0	0	111.9	H121 M125 G126 S127 K129	H121-Q123 PolarHBondContact O-N 3.24Å; Q123-M125 PolarHBondContact O-N 3.29Å; Q123-M125 VanDerWaalsContact O-N 3.1Å; Q123-G126 PolarHBondContact O-N 2.93Å; Q123-S127 WeakPolarHBondContact CB-O 3.31Å; Q123-S127 PolarHBondContact N-O 3.23Å; Q123-K129 HydrophobicContact CG-CB 4.25Å
124	M	82.9	Confident	94.8	Very high	202 Å²	202	78.2 Å²	78.2	100%	0.995	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	-29.8	177.8	-76	-87.4	-89.3	0	0	113.7	G126	M124-G126 VanDerWaalsContact C-N 3.33Å
125	M	79.7	Confident	94.7	Very high	175 Å²	175	77.5 Å²	77.5	86%	0.862	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.4	10.3	-179.9	-64.5	-64.6	-68.2	0	0	113.6	Q123 S127	Q123-M125 PolarHBondContact O-N 3.29Å; Q123-M125 VanDerWaalsContact O-N 3.1Å; M125-S127 PolarHBondContact O-N 3.29Å
126	G	80.4	Confident	94.7	Very high	46 Å²	46	79.1 Å²	79.1	47%	0.474	39%	0.391	S	S	.	.	S	Bend	trans	90.1	-17.8	173	0	0	0	0	0	116.3	Q123 M124	Q123-G126 PolarHBondContact O-N 2.93Å; M124-G126 VanDerWaalsContact C-N 3.33Å
127	S	89.8	Confident	94.7	Very high	46 Å²	46	79 Å²	79	32%	0.322	40%	0.395	S	S	.	.	S	Bend	trans	-81.9	158.3	175.5	63.1	0	0	0	0	112.8	Q123 M125	Q123-S127 WeakPolarHBondContact CB-O 3.31Å; Q123-S127 PolarHBondContact N-O 3.23Å; M125-S127 PolarHBondContact O-N 3.29Å
128	F	97.1	Very high	94.8	Very high	27 Å²	27	71.3 Å²	71.3	12%	0.118	36%	0.362	C	S	.	.	B	Isolated β-bridge	trans	-78.1	146.9	169.5	-60.6	-66.7	0	0	0	111.5	D32 H35 F120 K122 E130 K132	D32-F128 WeakPolarHBondContact OD1-CD2 3.46Å; H35-F128 HydrophobicContact CB-CE2 3.81Å; H35-F128 HydrophobicContact CB-CZ 3.93Å; H35-F128 AromaticContact CD2-CE1 3.61Å; H35-F128 AromaticContact CD2-CZ 3.3Å; H35-F128 WeakPolarHBondContact CD2-CZ 3.48Å; H35-F128 AromaticContact CE1-CZ 3.78Å; H35-F128 AromaticContact CG-CE2 3.74Å; H35-F128 AromaticContact CG-CZ 3.34Å; H35-F128 AromaticContact ND1-CZ 3.64Å; H35-F128 AromaticContact NE2-CE1 3.87Å; H35-F128 AromaticContact NE2-CZ 3.57Å; F120-F128 HydrophobicContact CB-CD1 3.86Å; F120-F128 HydrophobicContact CB-CE1 3.99Å; F120-F128 HydrophobicContact CB-CG 4.43Å; F120-F128 HydrophobicContact CD1-CG 4.48Å; K122-F128 HydrophobicContact CB-CD1 4.4Å; K122-F128 HydrophobicContact CB-CE1 4.32Å; F128-E130 VanDerWaalsContact C-N 3.29Å; F128-E130 PolarHBondContact O-N 3.23Å; F128-K132 PolarHBondContact O-N 3.43Å
129	K	97.7	Very high	94.8	Very high	87 Å²	87	72 Å²	72	38%	0.378	36%	0.358	S	S	.	.	H	α-helix	trans	-58.9	-44.5	175.8	178.7	-172.5	163.9	-168	0	110.6	H121 Q123 K132 E133	H121-K129 HydrophobicContact CB-CB 4.07Å; H121-K129 PolarHBondContact O-N 2.8Å; Q123-K129 HydrophobicContact CG-CB 4.25Å; K129-K132 PolarHBondContact O-N 3.5Å; K129-E133 WeakPolarHBondContact CE-OE1 3.19Å; K129-E133 HydrophobicContact CG-CG 4.46Å; K129-E133 IonicContact NZ-OE1 2.71Å; K129-E133 WeakPolarHBondContact O-CG 3.41Å; K129-E133 PolarHBondContact O-N 2.92Å
130	E	98.2	Very high	94.8	Very high	28 Å²	28	79.5 Å²	79.5	13%	0.131	39%	0.388	C	S	.	.	H	α-helix	trans	-63.6	-44	-176.9	-64.6	67.9	-146.2	0	0	111.3	I31 H121 F128 K132 E133 A134 F236	I31-E130 HydrophobicContact CG2-CB 4.05Å; H121-E130 IonicContact CE1-OE1 2.66Å; H121-E130 IonicContact CG-OE1 3.54Å; H121-E130 PolarHBondContact N-OE2 3.25Å; H121-E130 IonicContact ND1-OE1 3.76Å; H121-E130 PolarHBondContact ND1-OE1 3.47Å; F128-E130 VanDerWaalsContact C-N 3.29Å; F128-E130 PolarHBondContact O-N 3.23Å; E130-K132 VanDerWaalsContact C-N 3.33Å; E130-K132 PolarHBondContact O-N 3.07Å; E130-E133 PolarHBondContact O-N 3.43Å; E130-A134 PolarHBondContact O-N 3.21Å; E130-F236 HydrophobicContact CG-CE2 4.3Å; E130-F236 HydrophobicContact CG-CZ 4.26Å
131	T	97.9	Very high	94.8	Very high	13 Å²	13	79.4 Å²	79.4	8%	0.08	39%	0.389	C	S	.	.	H	α-helix	trans	-60.1	-44	174.9	-51.7	0	0	0	0	111.3	V28 I31 D32 A134 E135	V28-T131 HydrophobicContact CG1-CG2 3.54Å; I31-T131 WeakPolarHBondContact CG2-OG1 3.34Å; D32-T131 WeakPolarHBondContact OD1-CB 3.34Å; D32-T131 WeakPolarHBondContact OD1-CG2 3.32Å; D32-T131 PolarHBondContact OD1-OG1 3.27Å; D32-T131 WeakPolarHBondContact OD2-CG2 3.44Å; T131-A134 PolarHBondContact O-N 2.94Å; T131-E135 WeakPolarHBondContact O-CB 3.49Å; T131-E135 PolarHBondContact O-N 2.8Å
132	K	97.1	Very high	94.8	Very high	99 Å²	99	75.5 Å²	75.5	43%	0.43	37%	0.371	S	S	.	.	H	α-helix	trans	-67.2	-41.2	178.6	-174.7	177.3	179.5	178.4	0	112.3	F128 K129 E130 A134 E135 D136	F128-K132 PolarHBondContact O-N 3.43Å; K129-K132 PolarHBondContact O-N 3.5Å; E130-K132 VanDerWaalsContact C-N 3.33Å; E130-K132 PolarHBondContact O-N 3.07Å; K132-A134 VanDerWaalsContact C-N 3.32Å; K132-A134 PolarHBondContact O-N 3.5Å; K132-E135 PolarHBondContact O-N 3.35Å; K132-D136 WeakPolarHBondContact O-CB 3.48Å; K132-D136 PolarHBondContact O-N 3.46Å
133	E	97.9	Very high	95	Very high	114 Å²	114	75.1 Å²	75.1	53%	0.533	37%	0.369	S	S	.	.	H	α-helix	trans	-61.2	-41.1	176.5	-75.5	178	170.2	0	0	111.5	K129 E130 G137	K129-E133 WeakPolarHBondContact CE-OE1 3.19Å; K129-E133 HydrophobicContact CG-CG 4.46Å; K129-E133 IonicContact NZ-OE1 2.71Å; K129-E133 WeakPolarHBondContact O-CG 3.41Å; K129-E133 PolarHBondContact O-N 2.92Å; E130-E133 PolarHBondContact O-N 3.43Å; E133-G137 PolarHBondContact O-N 2.93Å
134	A	98.3	Very high	95.3	Very high	8 Å²	8	75.9 Å²	75.9	7%	0.066	38%	0.38	C	S	.	.	H	α-helix	trans	-65.3	-46.8	174.4	0	0	0	0	0	112.5	V28 I31 E130 T131 K132 G137 F138	V28-A134 HydrophobicContact CG2-CB 4.23Å; I31-A134 HydrophobicContact CD1-CB 3.5Å; I31-A134 VanDerWaalsContact CD1-CB 3.5Å; E130-A134 PolarHBondContact O-N 3.21Å; T131-A134 PolarHBondContact O-N 2.94Å; K132-A134 VanDerWaalsContact C-N 3.32Å; K132-A134 PolarHBondContact O-N 3.5Å; A134-G137 PolarHBondContact O-N 3.43Å; A134-F138 VanDerWaalsContact O-CD2 3.24Å; A134-F138 WeakPolarHBondContact O-CD2 3.36Å; A134-F138 PolarHBondContact O-N 3.42Å
135	E	98.3	Very high	96	Very high	65 Å²	65	67.9 Å²	67.9	30%	0.304	34%	0.339	S	S	.	.	H	α-helix	trans	-59	-49.6	177.3	-177.7	61.9	-141.7	0	0	111.7	Y24 V28 T131 K132 G137 F138 R139	Y24-E135 WeakPolarHBondContact CE2-OE1 3.44Å; Y24-E135 WeakPolarHBondContact CE2-OE2 3.44Å; Y24-E135 PolarHBondContact OH-OE1 3.34Å; V28-E135 HydrophobicContact CG1-CB 4.27Å; T131-E135 WeakPolarHBondContact O-CB 3.49Å; T131-E135 PolarHBondContact O-N 2.8Å; K132-E135 PolarHBondContact O-N 3.35Å; E135-G137 VanDerWaalsContact C-N 3.29Å; E135-G137 PolarHBondContact O-N 3.28Å; E135-F138 PolarHBondContact O-N 3.06Å; E135-R139 VanDerWaalsContact O-CB 3.25Å; E135-R139 WeakPolarHBondContact O-CB 2.84Å; E135-R139 PolarHBondContact O-N 3.32Å
136	D	98.2	Very high	96.9	Very high	81 Å²	81	60.8 Å²	60.8	43%	0.433	31%	0.308	S	S	.	.	H	α-helix	trans	-64.4	-36.8	178.6	-76.8	-25.7	0	0	0	111.1	K132 K140	K132-D136 WeakPolarHBondContact O-CB 3.48Å; K132-D136 PolarHBondContact O-N 3.46Å; D136-K140 WeakPolarHBondContact O-CB 3.18Å; D136-K140 PolarHBondContact O-N 2.91Å
137	G	98.6	Very high	97.7	Very high	19 Å²	19	65.2 Å²	65.2	20%	0.196	31%	0.314	C	S	.	.	H	α-helix	trans	-59.4	-55.5	174	0	0	0	0	0	112.5	E133 A134 E135 R139 K140 A141	E133-G137 PolarHBondContact O-N 2.93Å; A134-G137 PolarHBondContact O-N 3.43Å; E135-G137 VanDerWaalsContact C-N 3.29Å; E135-G137 PolarHBondContact O-N 3.28Å; G137-R139 PolarHBondContact O-N 3.26Å; G137-K140 PolarHBondContact O-N 2.95Å; G137-A141 PolarHBondContact O-N 2.71Å
138	F	98.8	Very high	98.1	Very high	0 Å²	0	66.1 Å²	66.1	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-63.2	-43.6	178.7	-77.5	-57.9	0	0	0	112.2	F18 Y24 T27 V28 A134 E135 K140 A141 Q142 M226 V229 F230	F18-F138 HydrophobicContact CE2-CE1 4.14Å; F18-F138 HydrophobicContact CE2-CZ 4.35Å; F18-F138 AromaticContact CZ-CE1 3.79Å; F18-F138 HydrophobicContact CZ-CE1 3.79Å; F18-F138 HydrophobicContact CZ-CZ 4.37Å; Y24-F138 HydrophobicContact CD1-CB 3.76Å; Y24-F138 HydrophobicContact CD1-CG 4.26Å; Y24-F138 HydrophobicContact CD2-CB 3.38Å; Y24-F138 AromaticContact CD2-CD2 3.57Å; Y24-F138 HydrophobicContact CD2-CD2 3.57Å; Y24-F138 HydrophobicContact CD2-CE2 4.48Å; Y24-F138 AromaticContact CD2-CG 3.59Å; Y24-F138 HydrophobicContact CD2-CG 3.59Å; Y24-F138 HydrophobicContact CE1-CB 3.86Å; Y24-F138 HydrophobicContact CE2-CB 3.54Å; Y24-F138 HydrophobicContact CE2-CD2 4.31Å; Y24-F138 HydrophobicContact CE2-CG 4.23Å; Y24-F138 HydrophobicContact CG-CB 3.52Å; Y24-F138 HydrophobicContact CG-CD1 4.13Å; Y24-F138 AromaticContact CG-CD2 3.97Å; Y24-F138 HydrophobicContact CG-CD2 3.97Å; Y24-F138 AromaticContact CG-CG 3.62Å; Y24-F138 HydrophobicContact CG-CG 3.62Å; T27-F138 HydrophobicContact CG2-CE2 4.17Å; T27-F138 HydrophobicContact CG2-CZ 4.14Å; V28-F138 HydrophobicContact CG2-CD2 3.69Å; V28-F138 HydrophobicContact CG2-CE2 3.98Å; A134-F138 VanDerWaalsContact O-CD2 3.24Å; A134-F138 WeakPolarHBondContact O-CD2 3.36Å; A134-F138 PolarHBondContact O-N 3.42Å; E135-F138 PolarHBondContact O-N 3.06Å; F138-K140 VanDerWaalsContact C-N 3.28Å; F138-K140 PolarHBondContact O-N 3.08Å; F138-A141 PolarHBondContact O-N 2.91Å; F138-Q142 WeakPolarHBondContact O-CB 3.43Å; F138-Q142 PolarHBondContact O-N 3.41Å; F138-M226 HydrophobicContact CD1-CE 3.62Å; F138-M226 HydrophobicContact CD1-SD 3.87Å; F138-M226 HydrophobicContact CE1-CE 4.14Å; F138-V229 HydrophobicContact CD1-CB 4Å; F138-V229 HydrophobicContact CD1-CG1 3.86Å; F138-V229 HydrophobicContact CD2-CG1 3.9Å; F138-V229 HydrophobicContact CE1-CB 3.85Å; F138-V229 HydrophobicContact CE1-CG1 3.82Å; F138-V229 HydrophobicContact CE2-CG1 3.87Å; F138-V229 HydrophobicContact CG-CG1 3.9Å; F138-V229 HydrophobicContact CZ-CB 4.26Å; F138-V229 HydrophobicContact CZ-CG1 3.83Å; F138-F230 HydrophobicContact CE1-CB 4.19Å; F138-F230 HydrophobicContact CZ-CB 4.16Å; F138-F230 HydrophobicContact CZ-CD2 4.41Å
139	R	98.4	Very high	98.1	Very high	160 Å²	160	66.4 Å²	66.4	60%	0.604	32%	0.315	S	S	*	.	H	α-helix	trans	-59.5	-41.1	177.1	-171.8	-179.9	-178.2	-171.2	4	111.4	E135 G137 K143	E135-R139 VanDerWaalsContact O-CB 3.25Å; E135-R139 WeakPolarHBondContact O-CB 2.84Å; E135-R139 PolarHBondContact O-N 3.32Å; G137-R139 PolarHBondContact O-N 3.26Å; R139-K143 WeakPolarHBondContact O-CB 3.35Å; R139-K143 PolarHBondContact O-N 3.22Å
140	K	98.6	Very high	98.1	Very high	172 Å²	172	69.6 Å²	69.6	75%	0.748	33%	0.329	S	S	*	.	H	α-helix	trans	-65.8	-42.2	176.5	-175.7	-177.8	176.8	-172.4	0	111.8	D136 G137 F138 P144	D136-K140 WeakPolarHBondContact O-CB 3.18Å; D136-K140 PolarHBondContact O-N 2.91Å; G137-K140 PolarHBondContact O-N 2.95Å; F138-K140 VanDerWaalsContact C-N 3.28Å; F138-K140 PolarHBondContact O-N 3.08Å; K140-P144 WeakPolarHBondContact O-CD 3.24Å
141	A	98.4	Very high	98.1	Very high	9 Å²	9	72.3 Å²	72.3	7%	0.074	34%	0.341	C	S	.	.	H	α-helix	trans	-66.4	-42	178.2	0	0	0	0	0	112.8	G137 F138 N225 M226	G137-A141 PolarHBondContact O-N 2.71Å; F138-A141 PolarHBondContact O-N 2.91Å; A141-N225 HydrophobicContact CB-CB 3.69Å; A141-M226 HydrophobicContact CB-CG 4.29Å; A141-M226 HydrophobicContact CB-SD 3.82Å
142	Q	98.5	Very high	98.1	Very high	7 Å²	7	72.1 Å²	72.1	3%	0.033	34%	0.34	C	S	.	.	H	α-helix	trans	-84.3	-28.6	-174.1	-168.9	170.3	67	0	0	113.9	E20 Y24 F138 P144 W145 A146 Y222 M226	E20-Q142 PolarHBondContact O-NE2 3.25Å; E20-Q142 VanDerWaalsContact O-NE2 3.12Å; Y24-Q142 VanDerWaalsContact CE1-OE1 3.27Å; F138-Q142 WeakPolarHBondContact O-CB 3.43Å; F138-Q142 PolarHBondContact O-N 3.41Å; Q142-P144 VanDerWaalsContact C-CD 3.49Å; Q142-W145 PolarHBondContact O-N 3.41Å; Q142-W145 VanDerWaalsContact O-N 3.12Å; Q142-A146 HydrophobicContact CG-CB 4.45Å; Q142-A146 PolarHBondContact O-N 3.08Å; Q142-Y222 HydrophobicContact CB-CE2 4.01Å; Q142-Y222 HydrophobicContact CG-CE2 3.78Å; Q142-Y222 PolarHBondContact NE2-OH 3.09Å; Q142-M226 HydrophobicContact CB-SD 3.93Å
143	K	98.1	Very high	98.1	Very high	154 Å²	154	71.7 Å²	71.7	67%	0.67	34%	0.34	S	S	*	.	H	α-helix	trans	-51.9	-44	-173.7	178.8	178.8	-175.9	-178.2	0	114.9	R139 K147	R139-K143 WeakPolarHBondContact O-CB 3.35Å; R139-K143 PolarHBondContact O-N 3.22Å; K143-K147 PolarHBondContact O-N 3.5Å; K143-K147 VanDerWaalsContact O-N 3.12Å
144	P	98.1	Very high	98.1	Very high	81 Å²	81	69.1 Å²	69.1	53%	0.526	34%	0.338	S	S	.	.	H	α-helix	trans	-63.9	-41.4	179	-21.6	34.2	0	0	0	113	K140 Q142 K148	K140-P144 WeakPolarHBondContact O-CD 3.24Å; Q142-P144 VanDerWaalsContact C-CD 3.49Å; P144-K148 PolarHBondContact O-N 2.96Å
145	W	98.4	Very high	98.1	Very high	34 Å²	34	69.6 Å²	69.6	13%	0.129	34%	0.342	C	S	.	.	H	α-helix	trans	-71.2	-45.4	-180	-173.7	93	0	0	0	111.4	V21 Q142 K147 K148 L149 L215 T219 Y222	V21-W145 HydrophobicContact CG2-CE3 4.39Å; V21-W145 HydrophobicContact CG2-CZ3 3.93Å; Q142-W145 PolarHBondContact O-N 3.41Å; Q142-W145 VanDerWaalsContact O-N 3.12Å; W145-K147 PolarHBondContact O-N 3.15Å; W145-K148 PolarHBondContact O-N 3.29Å; W145-L149 HydrophobicContact CE3-CB 4.43Å; W145-L149 HydrophobicContact CE3-CD2 4.47Å; W145-L149 HydrophobicContact CH2-CD1 4.39Å; W145-L149 HydrophobicContact CH2-CD2 3.79Å; W145-L149 HydrophobicContact CH2-CG 4.46Å; W145-L149 HydrophobicContact CZ3-CB 4.25Å; W145-L149 HydrophobicContact CZ3-CD2 3.59Å; W145-L149 HydrophobicContact CZ3-CG 4.42Å; W145-L149 PolarHBondContact O-N 2.84Å; W145-L215 HydrophobicContact CD2-CD1 4.13Å; W145-L215 HydrophobicContact CG-CD1 4.13Å; W145-L215 HydrophobicContact CZ2-CD1 4.3Å; W145-L215 HydrophobicContact CZ2-CD2 4.42Å; W145-T219 PolarHBondContact NE1-OG1 2.99Å; W145-T219 VanDerWaalsContact NE1-OG1 3.15Å; W145-Y222 HydrophobicContact CB-CD1 4.36Å; W145-Y222 HydrophobicContact CB-CD2 3.75Å; W145-Y222 HydrophobicContact CB-CE2 4.46Å; W145-Y222 HydrophobicContact CB-CG 3.71Å; W145-Y222 AromaticContact CD1-CD1 3.75Å; W145-Y222 AromaticContact CD1-CG 3.77Å; W145-Y222 HydrophobicContact CD2-CD1 4.02Å; W145-Y222 HydrophobicContact CD2-CE1 4.15Å; W145-Y222 HydrophobicContact CD2-CG 4.26Å; W145-Y222 HydrophobicContact CE3-CE1 4.46Å; W145-Y222 AromaticContact CG-CD1 3.81Å; W145-Y222 HydrophobicContact CG-CD1 3.81Å; W145-Y222 HydrophobicContact CG-CD2 4.08Å; W145-Y222 HydrophobicContact CG-CE1 4.38Å; W145-Y222 AromaticContact CG-CG 3.64Å; W145-Y222 HydrophobicContact CG-CG 3.64Å; W145-Y222 AromaticContact NE1-CD1 3.94Å
146	A	97.7	Very high	98.1	Very high	26 Å²	26	70.8 Å²	70.8	22%	0.215	35%	0.346	C	S	.	.	H	α-helix	trans	-59	-34.7	176.1	0	0	0	0	0	112.6	V21 Q142 L149 K150	V21-A146 HydrophobicContact CG1-CB 4.19Å; V21-A146 HydrophobicContact CG2-CB 3.95Å; Q142-A146 HydrophobicContact CG-CB 4.45Å; Q142-A146 PolarHBondContact O-N 3.08Å; A146-L149 PolarHBondContact O-N 3.48Å; A146-K150 PolarHBondContact O-N 3.4Å; A146-K150 VanDerWaalsContact O-N 3.09Å
147	K	97.9	Very high	98.1	Very high	140 Å²	140	74 Å²	74	61%	0.609	36%	0.356	S	S	*	.	H	α-helix	trans	-63.8	-45.8	173.6	-174.9	-175.4	172.5	-170.7	0	111.7	K143 W145 K150 E151	K143-K147 PolarHBondContact O-N 3.5Å; K143-K147 VanDerWaalsContact O-N 3.12Å; W145-K147 PolarHBondContact O-N 3.15Å; K147-K150 WeakPolarHBondContact O-CB 3.35Å; K147-K150 PolarHBondContact O-N 3.17Å; K147-E151 PolarHBondContact O-N 3.34Å
148	K	97.8	Very high	98.1	Very high	64 Å²	64	75.4 Å²	75.4	28%	0.278	37%	0.366	S	S	.	.	H	α-helix	trans	-65.7	-39.1	176.8	-75.6	172.4	168.2	-86.4	0	111.7	P144 W145 K150 E151 V152 E214 L215	P144-K148 PolarHBondContact O-N 2.96Å; W145-K148 PolarHBondContact O-N 3.29Å; K148-K150 VanDerWaalsContact C-N 3.3Å; K148-K150 PolarHBondContact O-N 3.1Å; K148-E151 WeakPolarHBondContact O-CB 3.49Å; K148-E151 PolarHBondContact O-N 3.05Å; K148-E151 VanDerWaalsContact O-N 3.08Å; K148-V152 WeakPolarHBondContact O-CG2 3.32Å; K148-V152 PolarHBondContact O-N 2.98Å; K148-E214 PolarHBondContact NZ-O 3.03Å; K148-L215 HydrophobicContact CB-CD1 3.62Å
149	L	97.8	Very high	98	Very high	33 Å²	33	76.9 Å²	76.9	17%	0.173	37%	0.372	C	S	.	.	H	α-helix	trans	-58.4	-43.5	174.7	-179.6	64.5	0	0	0	111.2	V21 W145 A146 E151 V152 E153 L215	V21-L149 HydrophobicContact CG2-CD2 4.06Å; W145-L149 HydrophobicContact CE3-CB 4.43Å; W145-L149 HydrophobicContact CE3-CD2 4.47Å; W145-L149 HydrophobicContact CH2-CD1 4.39Å; W145-L149 HydrophobicContact CH2-CD2 3.79Å; W145-L149 HydrophobicContact CH2-CG 4.46Å; W145-L149 HydrophobicContact CZ3-CB 4.25Å; W145-L149 HydrophobicContact CZ3-CD2 3.59Å; W145-L149 HydrophobicContact CZ3-CG 4.42Å; W145-L149 PolarHBondContact O-N 2.84Å; A146-L149 PolarHBondContact O-N 3.48Å; L149-E151 VanDerWaalsContact C-N 3.28Å; L149-E151 PolarHBondContact O-N 2.92Å; L149-V152 WeakPolarHBondContact O-CA 3.38Å; L149-V152 WeakPolarHBondContact O-CB 3.47Å; L149-V152 PolarHBondContact O-N 3.3Å; L149-V152 VanDerWaalsContact O-N 3.11Å; L149-E153 WeakPolarHBondContact O-CG 3.43Å; L149-E153 PolarHBondContact O-N 3.46Å; L149-L215 HydrophobicContact CB-CD1 4.35Å; L149-L215 HydrophobicContact CD1-CD2 4.1Å
150	K	97.6	Very high	98	Very high	155 Å²	155	74.2 Å²	74.2	67%	0.674	37%	0.367	S	S	*	.	H	α-helix	trans	-61.2	-35.4	175.1	-171.3	175.4	-178.2	173.6	0	113	A146 K147 K148 A154	A146-K150 PolarHBondContact O-N 3.4Å; A146-K150 VanDerWaalsContact O-N 3.09Å; K147-K150 WeakPolarHBondContact O-CB 3.35Å; K147-K150 PolarHBondContact O-N 3.17Å; K148-K150 VanDerWaalsContact C-N 3.3Å; K148-K150 PolarHBondContact O-N 3.1Å; K150-A154 WeakPolarHBondContact O-CB 3.25Å; K150-A154 PolarHBondContact O-N 3.45Å
151	E	97.8	Very high	98	Very high	85 Å²	85	68.9 Å²	68.9	40%	0.397	35%	0.354	S	S	.	.	H	α-helix	trans	-68.3	-39.6	174.3	-67	170	-168.4	0	0	111.5	K147 K148 L149 A154 A155	K147-E151 PolarHBondContact O-N 3.34Å; K148-E151 WeakPolarHBondContact O-CB 3.49Å; K148-E151 PolarHBondContact O-N 3.05Å; K148-E151 VanDerWaalsContact O-N 3.08Å; L149-E151 VanDerWaalsContact C-N 3.28Å; L149-E151 PolarHBondContact O-N 2.92Å; E151-A154 PolarHBondContact O-N 3.04Å; E151-A155 WeakPolarHBondContact O-CB 3.43Å; E151-A155 PolarHBondContact O-N 3.34Å
152	V	98.1	Very high	97.9	Very high	9 Å²	9	69.2 Å²	69.2	6%	0.055	36%	0.357	C	S	.	.	H	α-helix	trans	-61.5	-47.6	172.7	171.9	0	0	0	0	111.3	K148 L149 A154 A155 K156 Y208 S211 L212 L215	K148-V152 WeakPolarHBondContact O-CG2 3.32Å; K148-V152 PolarHBondContact O-N 2.98Å; L149-V152 WeakPolarHBondContact O-CA 3.38Å; L149-V152 WeakPolarHBondContact O-CB 3.47Å; L149-V152 PolarHBondContact O-N 3.3Å; L149-V152 VanDerWaalsContact O-N 3.11Å; V152-A154 VanDerWaalsContact C-N 3.34Å; V152-A154 PolarHBondContact O-N 3.35Å; V152-A155 PolarHBondContact O-N 3.43Å; V152-K156 WeakPolarHBondContact O-CB 3.38Å; V152-K156 PolarHBondContact O-N 2.96Å; V152-Y208 HydrophobicContact CG1-CD2 4.39Å; V152-Y208 HydrophobicContact CG1-CE2 3.74Å; V152-S211 VanDerWaalsContact CG2-C 3.47Å; V152-S211 WeakPolarHBondContact CG2-O 3.34Å; V152-L212 HydrophobicContact CG1-CD2 3.57Å; V152-L212 HydrophobicContact CG1-CG 4.14Å; V152-L212 HydrophobicContact CG2-CD2 4.44Å; V152-L215 HydrophobicContact CG2-CB 4.05Å; V152-L215 HydrophobicContact CG2-CD2 4.04Å
153	E	97.1	Very high	97.9	Very high	90 Å²	90	70.5 Å²	70.5	42%	0.421	37%	0.367	S	S	.	.	H	α-helix	trans	-60.8	-41.3	177.3	-73	174.6	-171.4	0	0	112.5	L149 K156 K157	L149-E153 WeakPolarHBondContact O-CG 3.43Å; L149-E153 PolarHBondContact O-N 3.46Å; E153-K156 PolarHBondContact O-N 2.88Å; E153-K157 WeakPolarHBondContact O-CG 3.42Å; E153-K157 PolarHBondContact O-N 2.72Å
154	A	98	Very high	97.8	Very high	60 Å²	60	69.8 Å²	69.8	50%	0.496	36%	0.364	S	S	.	.	H	α-helix	trans	-64.2	-43.7	175.8	0	0	0	0	0	111.5	K150 E151 V152 K157 A158	K150-A154 WeakPolarHBondContact O-CB 3.25Å; K150-A154 PolarHBondContact O-N 3.45Å; E151-A154 PolarHBondContact O-N 3.04Å; V152-A154 VanDerWaalsContact C-N 3.34Å; V152-A154 PolarHBondContact O-N 3.35Å; A154-K157 PolarHBondContact O-N 3.5Å; A154-A158 WeakPolarHBondContact O-CB 3.37Å; A154-A158 PolarHBondContact O-N 3.1Å
155	A	98	Very high	97.8	Very high	17 Å²	17	69.4 Å²	69.4	14%	0.14	36%	0.355	C	S	.	.	H	α-helix	trans	-65.8	-40.4	176.7	0	0	0	0	0	112.2	E151 V152 A158 H159 Y208	E151-A155 WeakPolarHBondContact O-CB 3.43Å; E151-A155 PolarHBondContact O-N 3.34Å; V152-A155 PolarHBondContact O-N 3.43Å; A155-A158 PolarHBondContact O-N 3.36Å; A155-H159 WeakPolarHBondContact O-CB 3.37Å; A155-H159 PolarHBondContact O-N 3.15Å; A155-Y208 HydrophobicContact CB-CD2 4.06Å
156	K	98.1	Very high	97.7	Very high	90 Å²	90	69.7 Å²	69.7	39%	0.391	36%	0.357	S	S	.	.	H	α-helix	trans	-57.5	-51.1	173.2	-177.6	-177.5	176.2	-177.1	0	111.1	V152 E153 A158 H159 H160 Y208	V152-K156 WeakPolarHBondContact O-CB 3.38Å; V152-K156 PolarHBondContact O-N 2.96Å; E153-K156 PolarHBondContact O-N 2.88Å; K156-A158 VanDerWaalsContact C-N 3.34Å; K156-A158 PolarHBondContact O-N 3.48Å; K156-H159 PolarHBondContact O-N 2.9Å; K156-H160 WeakPolarHBondContact O-CB 3.23Å; K156-H160 PolarHBondContact O-CD2 3.08Å; K156-H160 PolarHBondContact O-N 3.49Å; K156-Y208 HydrophobicContact CB-CD2 4.11Å; K156-Y208 HydrophobicContact CB-CE2 3.64Å; K156-Y208 HydrophobicContact CG-CE2 4.28Å
157	K	98.1	Very high	97.6	Very high	150 Å²	150	75.4 Å²	75.4	65%	0.652	38%	0.378	S	S	*	.	H	α-helix	trans	-59.3	-44.2	177.8	-74.5	176.1	-177.4	175.2	0	111.7	E153 A154 H160 A161	E153-K157 WeakPolarHBondContact O-CG 3.42Å; E153-K157 PolarHBondContact O-N 2.72Å; A154-K157 PolarHBondContact O-N 3.5Å; K157-H160 PolarHBondContact O-N 2.96Å; K157-A161 WeakPolarHBondContact O-CB 3.41Å; K157-A161 PolarHBondContact O-N 3.18Å
158	A	97.9	Very high	97.5	Very high	48 Å²	48	72.3 Å²	72.3	40%	0.397	37%	0.367	S	S	.	.	H	α-helix	trans	-63.4	-41.8	177	0	0	0	0	0	112.5	A154 A155 K156 A161 A162 T204	A154-A158 WeakPolarHBondContact O-CB 3.37Å; A154-A158 PolarHBondContact O-N 3.1Å; A155-A158 PolarHBondContact O-N 3.36Å; K156-A158 VanDerWaalsContact C-N 3.34Å; K156-A158 PolarHBondContact O-N 3.48Å; A158-A161 PolarHBondContact O-N 3.03Å; A158-A162 PolarHBondContact O-N 3.43Å; A158-T204 HydrophobicContact CB-CG2 4.47Å
159	H	98.2	Very high	97.3	Very high	30 Å²	30	69.4 Å²	69.4	14%	0.139	36%	0.355	C	S	.	.	H	α-helix	trans	-65.9	-44.9	177.3	-178	52.4	0	0	0	112.3	A155 K156 A161 A162 C163 T204 K205	A155-H159 WeakPolarHBondContact O-CB 3.37Å; A155-H159 PolarHBondContact O-N 3.15Å; K156-H159 PolarHBondContact O-N 2.9Å; H159-A161 VanDerWaalsContact C-N 3.31Å; H159-A161 PolarHBondContact O-N 3.1Å; H159-A162 PolarHBondContact O-N 3.23Å; H159-C163 VanDerWaalsContact CE1-SG 3.52Å; H159-C163 PolarHBondContact O-N 3.27Å; H159-C163 PolarHBondContact O-SG 3.43Å; H159-T204 PolarHBondContact ND1-OG1 3.44Å; H159-K205 PolarHBondContact ND1-N 2.84Å
160	H	97.9	Very high	97.1	Very high	105 Å²	105	71.2 Å²	71.2	49%	0.486	36%	0.364	S	S	.	.	H	α-helix	trans	-60.8	-40.6	175.5	-71.8	-165.6	0	0	0	111.7	K156 K157 C163 K164	K156-H160 WeakPolarHBondContact O-CB 3.23Å; K156-H160 PolarHBondContact O-CD2 3.08Å; K156-H160 PolarHBondContact O-N 3.49Å; K157-H160 PolarHBondContact O-N 2.96Å; H160-C163 PolarHBondContact O-N 3.17Å; H160-K164 WeakPolarHBondContact O-CB 3.46Å; H160-K164 PolarHBondContact O-N 2.93Å
161	A	97.8	Very high	97	Very high	59 Å²	59	66.7 Å²	66.7	49%	0.488	35%	0.352	S	S	.	.	H	α-helix	trans	-63.6	-43.2	175.7	0	0	0	0	0	112.2	K157 A158 H159 K164 E165	K157-A161 WeakPolarHBondContact O-CB 3.41Å; K157-A161 PolarHBondContact O-N 3.18Å; A158-A161 PolarHBondContact O-N 3.03Å; H159-A161 VanDerWaalsContact C-N 3.31Å; H159-A161 PolarHBondContact O-N 3.1Å; A161-K164 PolarHBondContact O-N 2.85Å; A161-E165 PolarHBondContact O-N 2.96Å
162	A	97.6	Very high	96.7	Very high	16 Å²	16	69.2 Å²	69.2	13%	0.132	36%	0.358	C	S	.	.	H	α-helix	trans	-62.1	-43.2	175.7	0	0	0	0	0	111.8	A158 H159 K164 E165 E166 V201 T204	A158-A162 PolarHBondContact O-N 3.43Å; H159-A162 PolarHBondContact O-N 3.23Å; A162-K164 VanDerWaalsContact C-N 3.32Å; A162-K164 PolarHBondContact O-N 3.44Å; A162-E165 PolarHBondContact O-N 3.02Å; A162-E166 WeakPolarHBondContact O-CB 3.39Å; A162-E166 PolarHBondContact O-N 3.13Å; A162-V201 HydrophobicContact CB-CG2 3.92Å; A162-V201 WeakPolarHBondContact O-CG2 3.33Å; A162-T204 HydrophobicContact CB-CG2 4.18Å
163	C	97.5	Very high	96.4	Very high	35 Å²	35	69.9 Å²	69.9	24%	0.236	36%	0.361	C	S	.	.	H	α-helix	trans	-62.5	-38.6	176.2	-65.6	0	0	0	0	112.1	H159 H160 K167	H159-C163 VanDerWaalsContact CE1-SG 3.52Å; H159-C163 PolarHBondContact O-N 3.27Å; H159-C163 PolarHBondContact O-SG 3.43Å; H160-C163 PolarHBondContact O-N 3.17Å; C163-K167 WeakPolarHBondContact O-CG 3.43Å; C163-K167 PolarHBondContact O-N 3.21Å; C163-K167 VanDerWaalsContact O-N 3.09Å
164	K	97.6	Very high	96.1	Very high	139 Å²	139	68.2 Å²	68.2	60%	0.604	36%	0.362	S	S	*	.	H	α-helix	trans	-66.3	-44.6	176.3	-170.7	173.2	-177.7	169.9	0	111.4	H160 A161 A162 K167 L168	H160-K164 WeakPolarHBondContact O-CB 3.46Å; H160-K164 PolarHBondContact O-N 2.93Å; A161-K164 PolarHBondContact O-N 2.85Å; A162-K164 VanDerWaalsContact C-N 3.32Å; A162-K164 PolarHBondContact O-N 3.44Å; K164-K167 PolarHBondContact O-N 3.3Å; K164-L168 HydrophobicContact CG-CD1 4.37Å; K164-L168 VanDerWaalsContact O-CG 3.32Å; K164-L168 WeakPolarHBondContact O-CG 3.38Å; K164-L168 PolarHBondContact O-N 2.6Å
165	E	96.7	Very high	95.7	Very high	72 Å²	72	71.2 Å²	71.2	34%	0.336	37%	0.37	S	S	.	.	H	α-helix	trans	-65.7	-37.5	177.5	-175.3	62.9	-159.9	0	0	112	A161 A162 L168 A169 K193	A161-E165 PolarHBondContact O-N 2.96Å; A162-E165 PolarHBondContact O-N 3.02Å; E165-L168 PolarHBondContact O-N 2.69Å; E165-A169 WeakPolarHBondContact O-CB 3.22Å; E165-A169 PolarHBondContact O-N 2.72Å; E165-K193 WeakPolarHBondContact OE1-CE 3.38Å; E165-K193 IonicContact OE1-NZ 2.77Å; E165-K193 PolarHBondContact OE1-NZ 2.85Å
166	E	96.3	Very high	95.1	Very high	40 Å²	40	72.1 Å²	72.1	19%	0.187	38%	0.375	C	S	.	.	H	α-helix	trans	-59.9	-51.3	173.1	-173.5	-163.5	-166.5	0	0	111.4	A162 L168 A169 I170 C197 K198 V201	A162-E166 WeakPolarHBondContact O-CB 3.39Å; A162-E166 PolarHBondContact O-N 3.13Å; E166-L168 VanDerWaalsContact C-N 3.26Å; E166-L168 PolarHBondContact O-N 2.75Å; E166-A169 PolarHBondContact O-N 3.02Å; E166-A169 VanDerWaalsContact O-N 3.12Å; E166-I170 HydrophobicContact CG-CD1 3.95Å; E166-I170 WeakPolarHBondContact O-CG1 3.46Å; E166-I170 PolarHBondContact O-N 2.95Å; E166-C197 HydrophobicContact CB-CB 3.96Å; E166-C197 HydrophobicContact CG-CB 4.18Å; E166-K198 HydrophobicContact CG-CG 4.39Å; E166-K198 WeakPolarHBondContact OE1-CG 3.32Å; E166-V201 HydrophobicContact CB-CG2 3.97Å
167	K	96.3	Very high	94.5	Very high	147 Å²	147	73.3 Å²	73.3	64%	0.639	38%	0.38	S	S	*	.	H	α-helix	trans	-57.7	-40.5	176.6	-74.8	-178.1	178.9	-178	0	111.7	C163 K164 I170 S171	C163-K167 WeakPolarHBondContact O-CG 3.43Å; C163-K167 PolarHBondContact O-N 3.21Å; C163-K167 VanDerWaalsContact O-N 3.09Å; K164-K167 PolarHBondContact O-N 3.3Å; K167-I170 PolarHBondContact O-N 3.48Å; K167-S171 WeakPolarHBondContact O-CB 3.4Å; K167-S171 PolarHBondContact O-N 3.05Å; K167-S171 PolarHBondContact O-OG 3.16Å
168	L	95.9	Very high	93.8	Very high	74 Å²	74	70.2 Å²	70.2	39%	0.387	38%	0.383	S	S	.	.	H	α-helix	trans	-65.5	-41.4	176.4	-74.7	170.7	0	0	0	112.1	K164 E165 E166 S171 R172	K164-L168 HydrophobicContact CG-CD1 4.37Å; K164-L168 VanDerWaalsContact O-CG 3.32Å; K164-L168 WeakPolarHBondContact O-CG 3.38Å; K164-L168 PolarHBondContact O-N 2.6Å; E165-L168 PolarHBondContact O-N 2.69Å; E166-L168 VanDerWaalsContact C-N 3.26Å; E166-L168 PolarHBondContact O-N 2.75Å; L168-S171 PolarHBondContact O-N 2.74Å; L168-R172 WeakPolarHBondContact O-CB 3.28Å; L168-R172 WeakPolarHBondContact O-CG 3.39Å; L168-R172 PolarHBondContact O-N 3.25Å
169	A	94.3	Very high	93.1	Very high	3 Å²	3	71.7 Å²	71.7	3%	0.025	38%	0.384	C	S	.	.	H	α-helix	trans	-64.1	-43.6	176.5	0	0	0	0	0	111.8	E165 E166 R172 E173 K193 I194	E165-A169 WeakPolarHBondContact O-CB 3.22Å; E165-A169 PolarHBondContact O-N 2.72Å; E166-A169 PolarHBondContact O-N 3.02Å; E166-A169 VanDerWaalsContact O-N 3.12Å; A169-R172 PolarHBondContact O-N 3.34Å; A169-E173 PolarHBondContact O-N 3Å; A169-K193 HydrophobicContact CB-CG 4.43Å; A169-I194 HydrophobicContact CB-CG1 4Å
170	I	93.6	Very high	92.2	Very high	72 Å²	72	76.8 Å²	76.8	37%	0.369	42%	0.42	S	S	.	.	H	α-helix	trans	-61.5	-45.8	175.4	-66.3	167	0	0	0	110.7	E166 K167 R172 E173 A174 I194	E166-I170 HydrophobicContact CG-CD1 3.95Å; E166-I170 WeakPolarHBondContact O-CG1 3.46Å; E166-I170 PolarHBondContact O-N 2.95Å; K167-I170 PolarHBondContact O-N 3.48Å; I170-R172 VanDerWaalsContact C-N 3.33Å; I170-R172 PolarHBondContact O-N 3.23Å; I170-E173 PolarHBondContact O-N 2.87Å; I170-A174 PolarHBondContact O-N 3.18Å; I170-I194 HydrophobicContact CG1-CD1 4.26Å; I170-I194 HydrophobicContact CG1-CG1 4.22Å; I170-I194 HydrophobicContact CG1-CG2 4.12Å
171	S	93.9	Very high	91.5	Very high	60 Å²	60	76 Å²	76	42%	0.42	43%	0.426	S	S	.	.	H	α-helix	trans	-63.7	-39.2	179.4	-56.8	0	0	0	0	111.8	K167 L168 A174 N175	K167-S171 WeakPolarHBondContact O-CB 3.4Å; K167-S171 PolarHBondContact O-N 3.05Å; K167-S171 PolarHBondContact O-OG 3.16Å; L168-S171 PolarHBondContact O-N 2.74Å; S171-A174 PolarHBondContact O-N 3.04Å; S171-N175 WeakPolarHBondContact O-CB 3.31Å; S171-N175 PolarHBondContact O-N 3.29Å; S171-N175 PolarHBondContact O-ND2 2.98Å; S171-N175 PolarHBondContact O-OD1 3.45Å
172	R	91.9	Very high	90.8	Very high	137 Å²	137	75.3 Å²	75.3	52%	0.517	41%	0.414	S	S	.	.	H	α-helix	trans	-64.7	-43.4	175.3	-77	178.8	-174	-178.5	7.1	112.1	L168 A169 I170 N175 S176	L168-R172 WeakPolarHBondContact O-CB 3.28Å; L168-R172 WeakPolarHBondContact O-CG 3.39Å; L168-R172 PolarHBondContact O-N 3.25Å; A169-R172 PolarHBondContact O-N 3.34Å; I170-R172 VanDerWaalsContact C-N 3.33Å; I170-R172 PolarHBondContact O-N 3.23Å; R172-N175 PolarHBondContact O-N 3.18Å; R172-S176 WeakPolarHBondContact O-CB 3.4Å; R172-S176 PolarHBondContact O-N 3.27Å; R172-S176 PolarHBondContact O-OG 2.56Å; R172-S176 VanDerWaalsContact O-OG 3.09Å
173	E	91.9	Very high	90.3	Very high	23 Å²	23	77.6 Å²	77.6	11%	0.107	42%	0.424	C	S	.	.	H	α-helix	trans	-62.8	-43.7	176.1	-167.4	-135.9	-167	0	0	111.7	A169 I170 N175 S176 K177 L187 L190 Q191 I194	A169-E173 PolarHBondContact O-N 3Å; I170-E173 PolarHBondContact O-N 2.87Å; E173-N175 PolarHBondContact O-N 3.41Å; E173-S176 PolarHBondContact O-N 3.21Å; E173-K177 WeakPolarHBondContact O-CG 3.48Å; E173-K177 PolarHBondContact O-N 3.34Å; E173-K177 VanDerWaalsContact O-N 3.1Å; E173-K177 VanDerWaalsContact OE1-CE 3.29Å; E173-K177 WeakPolarHBondContact OE1-CE 3.45Å; E173-K177 IonicContact OE1-NZ 2.81Å; E173-K177 PolarHBondContact OE1-NZ 3.3Å; E173-K177 IonicContact OE2-NZ 2.89Å; E173-K177 PolarHBondContact OE2-NZ 3.45Å; E173-L187 HydrophobicContact CG-CD1 4.37Å; E173-L190 HydrophobicContact CB-CB 4.2Å; E173-L190 HydrophobicContact CG-CB 3.97Å; E173-Q191 VanDerWaalsContact OE1-CG 3.3Å; E173-Q191 WeakPolarHBondContact OE1-CG 3.42Å; E173-Q191 PolarHBondContact OE1-NE2 3.17Å; E173-I194 HydrophobicContact CB-CD1 3.53Å; E173-I194 HydrophobicContact CG-CD1 3.89Å
174	A	90.4	Very high	89.8	Confident	55 Å²	55	81.3 Å²	81.3	46%	0.455	45%	0.448	S	S	.	.	H	α-helix	trans	-60.2	-44.1	176.2	0	0	0	0	0	112.2	I170 S171 K177	I170-A174 PolarHBondContact O-N 3.18Å; S171-A174 PolarHBondContact O-N 3.04Å; A174-K177 PolarHBondContact O-N 3.18Å
175	N	89.8	Confident	89.3	Confident	123 Å²	123	82.1 Å²	82.1	66%	0.658	45%	0.454	S	S	*	.	H	α-helix	trans	-68.5	-37.9	178.3	-69.1	-11.4	0	0	0	112.3	S171 R172 E173 K177 A178	S171-N175 WeakPolarHBondContact O-CB 3.31Å; S171-N175 PolarHBondContact O-N 3.29Å; S171-N175 PolarHBondContact O-ND2 2.98Å; S171-N175 PolarHBondContact O-OD1 3.45Å; R172-N175 PolarHBondContact O-N 3.18Å; E173-N175 PolarHBondContact O-N 3.41Å; N175-K177 VanDerWaalsContact C-N 3.29Å; N175-K177 PolarHBondContact O-N 2.98Å; N175-A178 WeakPolarHBondContact O-CB 3.37Å; N175-A178 PolarHBondContact O-N 3.33Å
176	S	86.5	Confident	88.8	Confident	37 Å²	37	83 Å²	83	26%	0.259	46%	0.458	S	S	.	.	H	α-helix	trans	-67.9	-27	177.5	-70.5	0	0	0	0	113	R172 E173 A178 D179	R172-S176 WeakPolarHBondContact O-CB 3.4Å; R172-S176 PolarHBondContact O-N 3.27Å; R172-S176 PolarHBondContact O-OG 2.56Å; R172-S176 VanDerWaalsContact O-OG 3.09Å; E173-S176 PolarHBondContact O-N 3.21Å; S176-A178 PolarHBondContact O-N 2.97Å; S176-D179 WeakPolarHBondContact O-CB 3.45Å; S176-D179 PolarHBondContact O-N 2.96Å; S176-D179 VanDerWaalsContact O-N 3.11Å
177	K	84.4	Confident	88.4	Confident	114 Å²	114	83.4 Å²	83.4	50%	0.496	46%	0.461	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-16.7	173	-74.9	172.1	-178.6	159.6	0	113.7	E173 A174 N175 D179 L187	E173-K177 WeakPolarHBondContact O-CG 3.48Å; E173-K177 PolarHBondContact O-N 3.34Å; E173-K177 VanDerWaalsContact O-N 3.1Å; E173-K177 VanDerWaalsContact OE1-CE 3.29Å; E173-K177 WeakPolarHBondContact OE1-CE 3.45Å; E173-K177 IonicContact OE1-NZ 2.81Å; E173-K177 PolarHBondContact OE1-NZ 3.3Å; E173-K177 IonicContact OE2-NZ 2.89Å; E173-K177 PolarHBondContact OE2-NZ 3.45Å; A174-K177 PolarHBondContact O-N 3.18Å; N175-K177 VanDerWaalsContact C-N 3.29Å; N175-K177 PolarHBondContact O-N 2.98Å; K177-D179 VanDerWaalsContact C-N 3.34Å; K177-L187 HydrophobicContact CG-CD1 4.23Å
178	A	83.5	Confident	88.1	Confident	86 Å²	86	82.5 Å²	82.5	71%	0.711	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.6	-7.3	174.1	0	0	0	0	0	113.2	N175 S176 P180	N175-A178 WeakPolarHBondContact O-CB 3.37Å; N175-A178 PolarHBondContact O-N 3.33Å; S176-A178 PolarHBondContact O-N 2.97Å; A178-P180 WeakPolarHBondContact O-CD 3.35Å
179	D	83.6	Confident	88	Confident	78 Å²	78	86.6 Å²	86.6	42%	0.417	47%	0.472	S	S	.	.			trans	-87.3	117	179	-171.8	-19.5	0	0	0	110.9	S176 K177 S181 L182	S176-D179 WeakPolarHBondContact O-CB 3.45Å; S176-D179 PolarHBondContact O-N 2.96Å; S176-D179 VanDerWaalsContact O-N 3.11Å; K177-D179 VanDerWaalsContact C-N 3.34Å; D179-S181 VanDerWaalsContact CG-OG 3.23Å; D179-S181 PolarHBondContact O-N 3.5Å; D179-S181 VanDerWaalsContact O-N 3.14Å; D179-S181 WeakPolarHBondContact OD1-CB 3.38Å; D179-S181 PolarHBondContact OD1-N 3.49Å; D179-S181 PolarHBondContact OD1-OG 3.35Å; D179-S181 PolarHBondContact OD2-OG 3.48Å; D179-L182 WeakPolarHBondContact O-CB 3.3Å; D179-L182 PolarHBondContact O-N 2.9Å
180	P	78.8	Confident	87.8	Confident	138 Å²	138	88.2 Å²	88.2	90%	0.896	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-15.5	178.5	-19.7	32.1	0	0	0	114.5	A178	A178-P180 WeakPolarHBondContact O-CD 3.35Å
181	S	83.1	Confident	87.7	Confident	87 Å²	87	89 Å²	89	61%	0.608	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.3	-0.4	-180	74.2	0	0	0	0	114.1	D179 N183	D179-S181 VanDerWaalsContact CG-OG 3.23Å; D179-S181 PolarHBondContact O-N 3.5Å; D179-S181 VanDerWaalsContact O-N 3.14Å; D179-S181 WeakPolarHBondContact OD1-CB 3.38Å; D179-S181 PolarHBondContact OD1-N 3.49Å; D179-S181 PolarHBondContact OD1-OG 3.35Å; D179-S181 PolarHBondContact OD2-OG 3.48Å; S181-N183 PolarHBondContact O-N 2.91Å
182	L	83.8	Confident	87.7	Confident	45 Å²	45	90.6 Å²	90.6	24%	0.236	49%	0.486	C	S	.	.			trans	-65.4	118.2	-175.1	-165.6	78.7	0	0	0	111.6	D179 Q186 L187	D179-L182 WeakPolarHBondContact O-CB 3.3Å; D179-L182 PolarHBondContact O-N 2.9Å; L182-Q186 HydrophobicContact CD1-CB 4.13Å; L182-L187 HydrophobicContact CD2-CB 4Å; L182-L187 HydrophobicContact CD2-CD1 3.95Å; L182-L187 HydrophobicContact CD2-CG 4.44Å
183	N	87.5	Confident	87.9	Confident	64 Å²	64	87.7 Å²	87.7	34%	0.342	48%	0.477	S	S	.	.			trans	-89.3	158.3	176.6	74.1	35.9	0	0	0	112	S181 E185 Q186 L187	S181-N183 PolarHBondContact O-N 2.91Å; N183-E185 PolarHBondContact O-N 2.95Å; N183-E185 VanDerWaalsContact O-N 3.17Å; N183-E185 PolarHBondContact OD1-N 3.14Å; N183-Q186 PolarHBondContact O-N 3.35Å; N183-Q186 WeakPolarHBondContact OD1-CB 3.11Å; N183-Q186 VanDerWaalsContact OD1-CG 3.22Å; N183-Q186 WeakPolarHBondContact OD1-CG 3.33Å; N183-Q186 PolarHBondContact OD1-N 3.31Å; N183-L187 PolarHBondContact O-N 3.24Å; N183-L187 VanDerWaalsContact O-N 3.12Å
184	P	85.4	Confident	88	Confident	113 Å²	113	87.2 Å²	87.2	73%	0.734	48%	0.475	S	S	*	.	H	α-helix	trans	-59	-29.2	-178.3	-26.4	35.3	0	0	0	114.3	K188	P184-K188 WeakPolarHBondContact O-CB 3.48Å; P184-K188 PolarHBondContact O-N 3.12Å
185	E	87.9	Confident	88.3	Confident	156 Å²	156	90.3 Å²	90.3	73%	0.729	48%	0.48	S	S	*	.	H	α-helix	trans	-75	-38.8	-178.1	-160.6	171.5	-170.2	0	0	111.8	N183 K188 K189	N183-E185 PolarHBondContact O-N 2.95Å; N183-E185 VanDerWaalsContact O-N 3.17Å; N183-E185 PolarHBondContact OD1-N 3.14Å; E185-K188 PolarHBondContact O-N 2.98Å; E185-K189 WeakPolarHBondContact O-CB 3.41Å; E185-K189 PolarHBondContact O-N 3.22Å
186	Q	86.3	Confident	88.6	Confident	92 Å²	92	90.9 Å²	90.9	43%	0.43	48%	0.477	S	S	.	.	H	α-helix	trans	-66.3	-42	172.5	-74.4	169.7	-20.6	0	0	111.5	L182 N183 K189 L190	L182-Q186 HydrophobicContact CD1-CB 4.13Å; N183-Q186 PolarHBondContact O-N 3.35Å; N183-Q186 WeakPolarHBondContact OD1-CB 3.11Å; N183-Q186 VanDerWaalsContact OD1-CG 3.22Å; N183-Q186 WeakPolarHBondContact OD1-CG 3.33Å; N183-Q186 PolarHBondContact OD1-N 3.31Å; Q186-K189 PolarHBondContact O-N 3.06Å; Q186-L190 WeakPolarHBondContact O-CG 3.35Å; Q186-L190 PolarHBondContact O-N 3.36Å; Q186-L190 VanDerWaalsContact O-N 3.08Å
187	L	87.3	Confident	89	Confident	47 Å²	47	89.6 Å²	89.6	25%	0.246	47%	0.467	C	S	.	.	H	α-helix	trans	-61.4	-46.5	175	-178.7	64.7	0	0	0	111	E173 K177 L182 N183 K189 L190 Q191	E173-L187 HydrophobicContact CG-CD1 4.37Å; K177-L187 HydrophobicContact CG-CD1 4.23Å; L182-L187 HydrophobicContact CD2-CB 4Å; L182-L187 HydrophobicContact CD2-CD1 3.95Å; L182-L187 HydrophobicContact CD2-CG 4.44Å; N183-L187 PolarHBondContact O-N 3.24Å; N183-L187 VanDerWaalsContact O-N 3.12Å; L187-K189 VanDerWaalsContact C-N 3.33Å; L187-K189 PolarHBondContact O-N 3.42Å; L187-L190 PolarHBondContact O-N 3.36Å; L187-Q191 WeakPolarHBondContact O-CG 3.41Å; L187-Q191 PolarHBondContact O-N 2.79Å
188	K	90.9	Very high	89.6	Confident	128 Å²	128	88.4 Å²	88.4	56%	0.557	46%	0.462	S	S	*	.	H	α-helix	trans	-59.4	-42.7	176.4	-176.2	168	-178.5	170.4	0	112	P184 E185 L190 Q191 D192	P184-K188 WeakPolarHBondContact O-CB 3.48Å; P184-K188 PolarHBondContact O-N 3.12Å; E185-K188 PolarHBondContact O-N 2.98Å; K188-L190 VanDerWaalsContact C-N 3.31Å; K188-L190 PolarHBondContact O-N 2.84Å; K188-Q191 PolarHBondContact O-N 3.35Å; K188-D192 VanDerWaalsContact O-CG 3.26Å; K188-D192 PolarHBondContact O-N 2.96Å
189	K	92.3	Very high	90.3	Very high	161 Å²	161	89.3 Å²	89.3	70%	0.7	45%	0.452	S	S	*	.	H	α-helix	trans	-61.2	-37.4	176.3	-173.5	177.5	-178.4	177.3	0	113.1	E185 Q186 L187 K193	E185-K189 WeakPolarHBondContact O-CB 3.41Å; E185-K189 PolarHBondContact O-N 3.22Å; Q186-K189 PolarHBondContact O-N 3.06Å; L187-K189 VanDerWaalsContact C-N 3.33Å; L187-K189 PolarHBondContact O-N 3.42Å; K189-K193 WeakPolarHBondContact O-CB 3.47Å; K189-K193 PolarHBondContact O-N 3.33Å; K189-K193 VanDerWaalsContact O-N 3.09Å
190	L	91.4	Very high	90.9	Very high	36 Å²	36	88.4 Å²	88.4	19%	0.188	45%	0.447	C	S	.	.	H	α-helix	trans	-69.2	-40.3	175.5	-70.8	165.3	0	0	0	111.4	E173 Q186 L187 K188 K193 I194	E173-L190 HydrophobicContact CB-CB 4.2Å; E173-L190 HydrophobicContact CG-CB 3.97Å; Q186-L190 WeakPolarHBondContact O-CG 3.35Å; Q186-L190 PolarHBondContact O-N 3.36Å; Q186-L190 VanDerWaalsContact O-N 3.08Å; L187-L190 PolarHBondContact O-N 3.36Å; K188-L190 VanDerWaalsContact C-N 3.31Å; K188-L190 PolarHBondContact O-N 2.84Å; L190-K193 PolarHBondContact O-N 3.04Å; L190-I194 WeakPolarHBondContact O-CG1 3.42Å; L190-I194 PolarHBondContact O-N 3.4Å
191	Q	91.9	Very high	91.8	Very high	88 Å²	88	82.8 Å²	82.8	41%	0.411	41%	0.41	S	S	.	.	H	α-helix	trans	-64.2	-45.3	175	-71.3	175.8	-16.5	0	0	112.3	E173 L187 K188 K193 I194 E195	E173-Q191 VanDerWaalsContact OE1-CG 3.3Å; E173-Q191 WeakPolarHBondContact OE1-CG 3.42Å; E173-Q191 PolarHBondContact OE1-NE2 3.17Å; L187-Q191 WeakPolarHBondContact O-CG 3.41Å; L187-Q191 PolarHBondContact O-N 2.79Å; K188-Q191 PolarHBondContact O-N 3.35Å; Q191-K193 PolarHBondContact O-N 3.43Å; Q191-I194 PolarHBondContact O-N 3.28Å; Q191-I194 VanDerWaalsContact O-N 3.12Å; Q191-E195 PolarHBondContact O-N 2.86Å
192	D	94	Very high	92.5	Very high	95 Å²	95	83.5 Å²	83.5	51%	0.508	41%	0.407	S	S	.	.	H	α-helix	trans	-60.4	-36.9	175.2	-68.5	-19.6	0	0	0	111.2	K188 K196	K188-D192 VanDerWaalsContact O-CG 3.26Å; K188-D192 PolarHBondContact O-N 2.96Å; D192-K196 WeakPolarHBondContact O-CB 3.36Å; D192-K196 PolarHBondContact O-N 3.43Å
193	K	94.6	Very high	93.2	Very high	75 Å²	75	85.9 Å²	85.9	33%	0.326	42%	0.415	S	S	.	.	H	α-helix	trans	-65.9	-43	174.6	-173.8	174.1	178	-174.4	0	111.8	E165 A169 K189 L190 Q191 K196 C197	E165-K193 WeakPolarHBondContact OE1-CE 3.38Å; E165-K193 IonicContact OE1-NZ 2.77Å; E165-K193 PolarHBondContact OE1-NZ 2.85Å; A169-K193 HydrophobicContact CB-CG 4.43Å; K189-K193 WeakPolarHBondContact O-CB 3.47Å; K189-K193 PolarHBondContact O-N 3.33Å; K189-K193 VanDerWaalsContact O-N 3.09Å; L190-K193 PolarHBondContact O-N 3.04Å; Q191-K193 PolarHBondContact O-N 3.43Å; K193-K196 PolarHBondContact O-N 3Å; K193-C197 PolarHBondContact O-N 2.81Å; K193-C197 PolarHBondContact O-SG 3.46Å
194	I	95.1	Very high	93.7	Very high	14 Å²	14	84 Å²	84	7%	0.072	41%	0.406	C	S	.	.	H	α-helix	trans	-60.9	-46.2	176.1	-70.9	167.8	0	0	0	110.6	A169 I170 E173 L190 Q191 K196 C197 K198	A169-I194 HydrophobicContact CB-CG1 4Å; I170-I194 HydrophobicContact CG1-CD1 4.26Å; I170-I194 HydrophobicContact CG1-CG1 4.22Å; I170-I194 HydrophobicContact CG1-CG2 4.12Å; E173-I194 HydrophobicContact CB-CD1 3.53Å; E173-I194 HydrophobicContact CG-CD1 3.89Å; L190-I194 WeakPolarHBondContact O-CG1 3.42Å; L190-I194 PolarHBondContact O-N 3.4Å; Q191-I194 PolarHBondContact O-N 3.28Å; Q191-I194 VanDerWaalsContact O-N 3.12Å; I194-K196 VanDerWaalsContact C-N 3.31Å; I194-K196 PolarHBondContact O-N 3.36Å; I194-C197 PolarHBondContact O-N 2.95Å; I194-C197 VanDerWaalsContact O-N 3.16Å; I194-K198 HydrophobicContact CG2-CD 4.21Å; I194-K198 PolarHBondContact O-N 3.4Å
195	E	95.4	Very high	94.3	Very high	119 Å²	119	82.9 Å²	82.9	56%	0.556	39%	0.39	S	S	*	.	H	α-helix	trans	-62.7	-40.4	-179.6	-170.3	56.7	-150.6	0	0	111.5	Q191 K198 Q199	Q191-E195 PolarHBondContact O-N 2.86Å; E195-K198 WeakPolarHBondContact O-CB 3.43Å; E195-K198 PolarHBondContact O-N 3.05Å; E195-Q199 PolarHBondContact O-N 3.48Å
196	K	96.3	Very high	94.8	Very high	135 Å²	135	80.1 Å²	80.1	59%	0.587	38%	0.38	S	S	*	.	H	α-helix	trans	-60.7	-46.7	172.3	-173.8	177.9	179.5	179.7	0	112.1	D192 K193 I194 K198 Q199 D200	D192-K196 WeakPolarHBondContact O-CB 3.36Å; D192-K196 PolarHBondContact O-N 3.43Å; K193-K196 PolarHBondContact O-N 3Å; I194-K196 VanDerWaalsContact C-N 3.31Å; I194-K196 PolarHBondContact O-N 3.36Å; K196-K198 VanDerWaalsContact C-N 3.34Å; K196-K198 PolarHBondContact O-N 3.23Å; K196-Q199 PolarHBondContact O-N 3.44Å; K196-D200 PolarHBondContact O-N 3.2Å
197	C	96.4	Very high	95.3	Very high	10 Å²	10	82.9 Å²	82.9	7%	0.068	39%	0.39	C	S	.	.	H	α-helix	trans	-61.3	-41.5	177.7	-69.6	0	0	0	0	112	E166 K193 I194 Q199 D200 V201	E166-C197 HydrophobicContact CB-CB 3.96Å; E166-C197 HydrophobicContact CG-CB 4.18Å; K193-C197 PolarHBondContact O-N 2.81Å; K193-C197 PolarHBondContact O-SG 3.46Å; I194-C197 PolarHBondContact O-N 2.95Å; I194-C197 VanDerWaalsContact O-N 3.16Å; C197-Q199 VanDerWaalsContact C-N 3.35Å; C197-Q199 PolarHBondContact O-N 3.45Å; C197-D200 PolarHBondContact O-N 2.84Å; C197-V201 WeakPolarHBondContact O-CG2 3.39Å; C197-V201 PolarHBondContact O-N 2.62Å
198	K	96.3	Very high	95.9	Very high	89 Å²	89	83 Å²	83	39%	0.387	39%	0.388	S	S	.	.	H	α-helix	trans	-58.2	-45.5	173.4	-80	174.9	177.8	-177.9	0	112.2	E166 I194 E195 K196 D200 V201 L202	E166-K198 HydrophobicContact CG-CG 4.39Å; E166-K198 WeakPolarHBondContact OE1-CG 3.32Å; I194-K198 HydrophobicContact CG2-CD 4.21Å; I194-K198 PolarHBondContact O-N 3.4Å; E195-K198 WeakPolarHBondContact O-CB 3.43Å; E195-K198 PolarHBondContact O-N 3.05Å; K196-K198 VanDerWaalsContact C-N 3.34Å; K196-K198 PolarHBondContact O-N 3.23Å; K198-D200 VanDerWaalsContact C-N 3.3Å; K198-D200 PolarHBondContact O-N 3.48Å; K198-V201 PolarHBondContact O-N 3.25Å; K198-L202 PolarHBondContact O-N 3.08Å
199	Q	97	Very high	96.2	Very high	105 Å²	105	81.6 Å²	81.6	49%	0.491	38%	0.383	S	S	.	.	H	α-helix	trans	-64.5	-37.1	177.8	-157.4	-172.6	33.1	0	0	111.8	E195 K196 C197 L202 K203	E195-Q199 PolarHBondContact O-N 3.48Å; K196-Q199 PolarHBondContact O-N 3.44Å; C197-Q199 VanDerWaalsContact C-N 3.35Å; C197-Q199 PolarHBondContact O-N 3.45Å; Q199-L202 PolarHBondContact O-N 3.37Å; Q199-K203 VanDerWaalsContact O-CG 3.3Å; Q199-K203 WeakPolarHBondContact O-CG 3.29Å; Q199-K203 PolarHBondContact O-N 3.44Å
200	D	97	Very high	96.5	Very high	59 Å²	59	80.2 Å²	80.2	32%	0.316	38%	0.377	S	S	.	.	H	α-helix	trans	-69.9	-35.5	176.7	-70.6	-17.1	0	0	0	112.1	K196 C197 K198 K203 T204	K196-D200 PolarHBondContact O-N 3.2Å; C197-D200 PolarHBondContact O-N 2.84Å; K198-D200 VanDerWaalsContact C-N 3.3Å; K198-D200 PolarHBondContact O-N 3.48Å; D200-K203 PolarHBondContact O-N 2.87Å; D200-K203 IonicContact OD1-NZ 3.92Å; D200-T204 WeakPolarHBondContact O-CB 3.3Å; D200-T204 WeakPolarHBondContact O-CG2 3.5Å; D200-T204 PolarHBondContact O-N 3Å; D200-T204 PolarHBondContact O-OG1 3.13Å
201	V	98.2	Very high	96.8	Very high	21 Å²	21	79.2 Å²	79.2	13%	0.127	37%	0.373	C	S	.	.	H	α-helix	trans	-61	-47.5	171.2	169.3	0	0	0	0	111	A162 E166 C197 K198 T204 K205	A162-V201 HydrophobicContact CB-CG2 3.92Å; A162-V201 WeakPolarHBondContact O-CG2 3.33Å; E166-V201 HydrophobicContact CB-CG2 3.97Å; C197-V201 WeakPolarHBondContact O-CG2 3.39Å; C197-V201 PolarHBondContact O-N 2.62Å; K198-V201 PolarHBondContact O-N 3.25Å; V201-T204 WeakPolarHBondContact CA-OG1 3.47Å; V201-T204 PolarHBondContact O-N 3.32Å; V201-T204 PolarHBondContact O-OG1 2.76Å; V201-K205 VanDerWaalsContact O-CB 3.26Å; V201-K205 WeakPolarHBondContact O-CB 3.48Å; V201-K205 PolarHBondContact O-N 2.71Å
202	L	97.9	Very high	97.1	Very high	102 Å²	102	77.6 Å²	77.6	53%	0.534	37%	0.367	S	S	.	.	H	α-helix	trans	-61	-48.5	176.2	-76.1	166	0	0	0	111.9	K198 Q199 T204 K205 D206	K198-L202 PolarHBondContact O-N 3.08Å; Q199-L202 PolarHBondContact O-N 3.37Å; L202-T204 VanDerWaalsContact C-N 3.32Å; L202-T204 PolarHBondContact O-N 3.21Å; L202-K205 WeakPolarHBondContact O-CB 3.48Å; L202-K205 PolarHBondContact O-N 3.44Å; L202-D206 PolarHBondContact O-N 3.4Å
203	K	97.9	Very high	97.3	Very high	95 Å²	95	79.6 Å²	79.6	41%	0.413	37%	0.372	S	S	.	.	H	α-helix	trans	-60.2	-40.4	178.6	-74.1	169.7	-174.4	159.9	0	112.9	Q199 D200 K207	Q199-K203 VanDerWaalsContact O-CG 3.3Å; Q199-K203 WeakPolarHBondContact O-CG 3.29Å; Q199-K203 PolarHBondContact O-N 3.44Å; D200-K203 PolarHBondContact O-N 2.87Å; D200-K203 IonicContact OD1-NZ 3.92Å; K203-K207 WeakPolarHBondContact O-CG 3.32Å; K203-K207 PolarHBondContact O-N 3.35Å
204	T	98	Very high	97.4	Very high	25 Å²	25	79 Å²	79	15%	0.153	37%	0.37	C	S	.	.	H	α-helix	trans	-74	-33.9	178.5	51.8	0	0	0	0	111.8	A158 H159 A162 D200 V201 L202 K207 Y208	A158-T204 HydrophobicContact CB-CG2 4.47Å; H159-T204 PolarHBondContact ND1-OG1 3.44Å; A162-T204 HydrophobicContact CB-CG2 4.18Å; D200-T204 WeakPolarHBondContact O-CB 3.3Å; D200-T204 WeakPolarHBondContact O-CG2 3.5Å; D200-T204 PolarHBondContact O-N 3Å; D200-T204 PolarHBondContact O-OG1 3.13Å; V201-T204 WeakPolarHBondContact CA-OG1 3.47Å; V201-T204 PolarHBondContact O-N 3.32Å; V201-T204 PolarHBondContact O-OG1 2.76Å; L202-T204 VanDerWaalsContact C-N 3.32Å; L202-T204 PolarHBondContact O-N 3.21Å; T204-K207 PolarHBondContact O-N 3.41Å; T204-Y208 WeakPolarHBondContact O-CB 3.4Å; T204-Y208 PolarHBondContact O-N 3.31Å
205	K	98.1	Very high	97.5	Very high	89 Å²	89	78.9 Å²	78.9	39%	0.387	37%	0.369	S	S	.	.	H	α-helix	trans	-60.6	-51.7	171.9	-175.4	179.3	170.7	-178.9	0	111.4	H159 V201 L202 K207 Y208 E209	H159-K205 PolarHBondContact ND1-N 2.84Å; V201-K205 VanDerWaalsContact O-CB 3.26Å; V201-K205 WeakPolarHBondContact O-CB 3.48Å; V201-K205 PolarHBondContact O-N 2.71Å; L202-K205 WeakPolarHBondContact O-CB 3.48Å; L202-K205 PolarHBondContact O-N 3.44Å; K205-K207 VanDerWaalsContact C-N 3.26Å; K205-K207 PolarHBondContact O-N 2.94Å; K205-Y208 PolarHBondContact O-N 2.86Å; K205-E209 WeakPolarHBondContact CE-OE1 3.28Å; K205-E209 HydrophobicContact CG-CG 4.38Å; K205-E209 IonicContact NZ-OE1 3.74Å; K205-E209 PolarHBondContact O-N 3.41Å
206	D	98.1	Very high	97.7	Very high	98 Å²	98	78.2 Å²	78.2	52%	0.524	37%	0.369	S	S	.	.	H	α-helix	trans	-58.8	-39.4	179.5	-67.5	-15.4	0	0	0	111.8	L202 K210	L202-D206 PolarHBondContact O-N 3.4Å; D206-K210 WeakPolarHBondContact O-CB 3.47Å; D206-K210 PolarHBondContact O-N 2.87Å
207	K	97.9	Very high	97.7	Very high	149 Å²	149	78.1 Å²	78.1	65%	0.648	37%	0.371	S	S	*	.	H	α-helix	trans	-65.9	-39.9	175.1	-74.8	178.1	-179.4	-177.8	0	112.4	K203 T204 K205 S211	K203-K207 WeakPolarHBondContact O-CG 3.32Å; K203-K207 PolarHBondContact O-N 3.35Å; T204-K207 PolarHBondContact O-N 3.41Å; K205-K207 VanDerWaalsContact C-N 3.26Å; K205-K207 PolarHBondContact O-N 2.94Å; K207-S211 PolarHBondContact O-N 2.87Å; K207-S211 PolarHBondContact O-OG 2.92Å
208	Y	98.4	Very high	97.7	Very high	51 Å²	51	78.7 Å²	78.7	20%	0.2	38%	0.379	C	S	.	.	H	α-helix	trans	-69.3	-45.1	178.3	179	-137.7	0	0	0	111.9	V152 A155 K156 T204 K205 K210 S211 L212	V152-Y208 HydrophobicContact CG1-CD2 4.39Å; V152-Y208 HydrophobicContact CG1-CE2 3.74Å; A155-Y208 HydrophobicContact CB-CD2 4.06Å; K156-Y208 HydrophobicContact CB-CD2 4.11Å; K156-Y208 HydrophobicContact CB-CE2 3.64Å; K156-Y208 HydrophobicContact CG-CE2 4.28Å; T204-Y208 WeakPolarHBondContact O-CB 3.4Å; T204-Y208 PolarHBondContact O-N 3.31Å; K205-Y208 PolarHBondContact O-N 2.86Å; Y208-K210 VanDerWaalsContact C-N 3.31Å; Y208-K210 PolarHBondContact O-N 3.31Å; Y208-S211 PolarHBondContact O-N 3.37Å; Y208-S211 PolarHBondContact O-OG 2.96Å; Y208-L212 HydrophobicContact CD1-CD1 4.37Å; Y208-L212 HydrophobicContact CD2-CD1 4.17Å; Y208-L212 HydrophobicContact CD2-CG 4.19Å; Y208-L212 HydrophobicContact CE1-CD1 4.01Å; Y208-L212 HydrophobicContact CE2-CD1 3.79Å; Y208-L212 HydrophobicContact CE2-CD2 4.18Å; Y208-L212 HydrophobicContact CE2-CG 3.85Å; Y208-L212 HydrophobicContact CG-CD1 4.44Å; Y208-L212 WeakPolarHBondContact O-CG 3.3Å; Y208-L212 PolarHBondContact O-N 3.16Å
209	E	98.3	Very high	97.8	Very high	97 Å²	97	76.3 Å²	76.3	45%	0.453	37%	0.372	S	S	.	.	H	α-helix	trans	-63.5	-37.7	174.8	-70.1	-179.8	168.7	0	0	111.7	K205 L212 K213	K205-E209 WeakPolarHBondContact CE-OE1 3.28Å; K205-E209 HydrophobicContact CG-CG 4.38Å; K205-E209 IonicContact NZ-OE1 3.74Å; K205-E209 PolarHBondContact O-N 3.41Å; E209-L212 PolarHBondContact O-N 3.26Å; E209-K213 WeakPolarHBondContact O-CB 3.47Å; E209-K213 PolarHBondContact O-N 2.89Å
210	K	97.9	Very high	97.9	Very high	132 Å²	132	75.5 Å²	75.5	57%	0.574	38%	0.376	S	S	*	.	H	α-helix	trans	-63.3	-46.6	174.2	-178.4	178.2	173.8	-178.9	0	112	D206 Y208 L212 K213 E214	D206-K210 WeakPolarHBondContact O-CB 3.47Å; D206-K210 PolarHBondContact O-N 2.87Å; Y208-K210 VanDerWaalsContact C-N 3.31Å; Y208-K210 PolarHBondContact O-N 3.31Å; K210-L212 VanDerWaalsContact C-N 3.34Å; K210-K213 PolarHBondContact O-N 3.15Å; K210-E214 WeakPolarHBondContact CE-OE1 3.37Å; K210-E214 IonicContact NZ-OE1 3.18Å; K210-E214 WeakPolarHBondContact O-CG 3.28Å; K210-E214 PolarHBondContact O-N 3.29Å
211	S	98.1	Very high	98	Very high	15 Å²	15	77.5 Å²	77.5	11%	0.105	38%	0.383	C	S	.	.	H	α-helix	trans	-66.5	-36.5	179.4	60.3	0	0	0	0	112	V152 K207 Y208 E214 L215	V152-S211 VanDerWaalsContact CG2-C 3.47Å; V152-S211 WeakPolarHBondContact CG2-O 3.34Å; K207-S211 PolarHBondContact O-N 2.87Å; K207-S211 PolarHBondContact O-OG 2.92Å; Y208-S211 PolarHBondContact O-N 3.37Å; Y208-S211 PolarHBondContact O-OG 2.96Å; S211-E214 PolarHBondContact O-N 3.29Å; S211-L215 WeakPolarHBondContact O-CB 3.42Å; S211-L215 PolarHBondContact O-N 2.97Å
212	L	98.3	Very high	98	Very high	55 Å²	55	77 Å²	77	29%	0.288	38%	0.379	S	S	.	.	H	α-helix	trans	-60.1	-49.5	171.6	-75.9	169.9	0	0	0	111.6	V152 Y208 E209 K210 E214 L215 D216	V152-L212 HydrophobicContact CG1-CD2 3.57Å; V152-L212 HydrophobicContact CG1-CG 4.14Å; V152-L212 HydrophobicContact CG2-CD2 4.44Å; Y208-L212 HydrophobicContact CD1-CD1 4.37Å; Y208-L212 HydrophobicContact CD2-CD1 4.17Å; Y208-L212 HydrophobicContact CD2-CG 4.19Å; Y208-L212 HydrophobicContact CE1-CD1 4.01Å; Y208-L212 HydrophobicContact CE2-CD1 3.79Å; Y208-L212 HydrophobicContact CE2-CD2 4.18Å; Y208-L212 HydrophobicContact CE2-CG 3.85Å; Y208-L212 HydrophobicContact CG-CD1 4.44Å; Y208-L212 WeakPolarHBondContact O-CG 3.3Å; Y208-L212 PolarHBondContact O-N 3.16Å; E209-L212 PolarHBondContact O-N 3.26Å; K210-L212 VanDerWaalsContact C-N 3.34Å; L212-E214 VanDerWaalsContact C-N 3.27Å; L212-E214 PolarHBondContact O-N 3.25Å; L212-L215 WeakPolarHBondContact O-CB 3.32Å; L212-L215 PolarHBondContact O-N 3.19Å; L212-D216 PolarHBondContact O-N 2.9Å
213	K	98.1	Very high	98	Very high	137 Å²	137	75.6 Å²	75.6	60%	0.596	37%	0.371	S	S	*	.	H	α-helix	trans	-59.1	-39.6	177.9	-174	176.1	-177.2	175.7	0	112.4	E209 K210 L215 Q217	E209-K213 WeakPolarHBondContact O-CB 3.47Å; E209-K213 PolarHBondContact O-N 2.89Å; K210-K213 PolarHBondContact O-N 3.15Å; K213-L215 VanDerWaalsContact C-N 3.34Å; K213-Q217 WeakPolarHBondContact O-CB 3.43Å; K213-Q217 WeakPolarHBondContact O-CG 3.43Å; K213-Q217 PolarHBondContact O-N 3.1Å
214	E	97	Very high	98	Very high	61 Å²	61	76.5 Å²	76.5	29%	0.285	38%	0.377	S	S	.	.	H	α-helix	trans	-70.3	-28.4	176.6	-77.1	-177.3	-162.4	0	0	113.4	K148 K210 S211 L212	K148-E214 PolarHBondContact NZ-O 3.03Å; K210-E214 WeakPolarHBondContact CE-OE1 3.37Å; K210-E214 IonicContact NZ-OE1 3.18Å; K210-E214 WeakPolarHBondContact O-CG 3.28Å; K210-E214 PolarHBondContact O-N 3.29Å; S211-E214 PolarHBondContact O-N 3.29Å; L212-E214 VanDerWaalsContact C-N 3.27Å; L212-E214 PolarHBondContact O-N 3.25Å
215	L	97.8	Very high	98.1	Very high	12 Å²	12	77.7 Å²	77.7	6%	0.063	38%	0.382	C	S	.	.	H	α-helix	trans	-72	-48.5	172	-176.6	69.6	0	0	0	110.5	W145 K148 L149 V152 S211 L212 K213 Q217 G218 T219	W145-L215 HydrophobicContact CD2-CD1 4.13Å; W145-L215 HydrophobicContact CG-CD1 4.13Å; W145-L215 HydrophobicContact CZ2-CD1 4.3Å; W145-L215 HydrophobicContact CZ2-CD2 4.42Å; K148-L215 HydrophobicContact CB-CD1 3.62Å; L149-L215 HydrophobicContact CB-CD1 4.35Å; L149-L215 HydrophobicContact CD1-CD2 4.1Å; V152-L215 HydrophobicContact CG2-CB 4.05Å; V152-L215 HydrophobicContact CG2-CD2 4.04Å; S211-L215 WeakPolarHBondContact O-CB 3.42Å; S211-L215 PolarHBondContact O-N 2.97Å; L212-L215 WeakPolarHBondContact O-CB 3.32Å; L212-L215 PolarHBondContact O-N 3.19Å; K213-L215 VanDerWaalsContact C-N 3.34Å; L215-Q217 VanDerWaalsContact C-N 3.31Å; L215-Q217 PolarHBondContact O-N 3.32Å; L215-G218 CarbonylContact O-C 3.6Å; L215-G218 PolarHBondContact O-N 3.43Å; L215-T219 PolarHBondContact O-N 2.96Å; L215-T219 PolarHBondContact O-OG1 3.45Å
216	D	98	Very high	98.1	Very high	105 Å²	105	73.4 Å²	73.4	56%	0.561	36%	0.363	S	S	*	.	H	α-helix	trans	-58.6	-42.9	178.5	-71.6	-13.8	0	0	0	111.3	L212 G218 T219 P220	L212-D216 PolarHBondContact O-N 2.9Å; D216-G218 PolarHBondContact O-N 3.04Å; D216-T219 WeakPolarHBondContact O-CB 3.48Å; D216-T219 PolarHBondContact O-N 2.97Å; D216-T219 VanDerWaalsContact O-N 3.14Å; D216-P220 VanDerWaalsContact O-CD 3.29Å; D216-P220 WeakPolarHBondContact O-CD 3.46Å
217	Q	97.9	Very high	98.1	Very high	133 Å²	133	73.6 Å²	73.6	62%	0.621	36%	0.361	S	S	*	.	H	α-helix	trans	-61.2	-30.8	175.2	-76.3	173.8	3.9	0	0	113.7	K213 L215	K213-Q217 WeakPolarHBondContact O-CB 3.43Å; K213-Q217 WeakPolarHBondContact O-CG 3.43Å; K213-Q217 PolarHBondContact O-N 3.1Å; L215-Q217 VanDerWaalsContact C-N 3.31Å; L215-Q217 PolarHBondContact O-N 3.32Å
218	G	96.2	Very high	98.2	Very high	23 Å²	23	72.1 Å²	72.1	24%	0.237	36%	0.357	C	S	.	.	H	α-helix	trans	-87.1	-11.8	178.1	0	0	0	0	0	114.1	L215 D216 Y222	L215-G218 CarbonylContact O-C 3.6Å; L215-G218 PolarHBondContact O-N 3.43Å; D216-G218 PolarHBondContact O-N 3.04Å; G218-Y222 PolarHBondContact O-N 3.37Å; G218-Y222 VanDerWaalsContact O-N 3.13Å
219	T	98.1	Very high	98.2	Very high	39 Å²	39	70.4 Å²	70.4	24%	0.239	35%	0.351	C	S	.	.	H	α-helix	trans	-67.5	-41.4	-172.4	-63.8	0	0	0	0	113.3	W145 L215 D216 Q221 Y222 M223	W145-T219 PolarHBondContact NE1-OG1 2.99Å; W145-T219 VanDerWaalsContact NE1-OG1 3.15Å; L215-T219 PolarHBondContact O-N 2.96Å; L215-T219 PolarHBondContact O-OG1 3.45Å; D216-T219 WeakPolarHBondContact O-CB 3.48Å; D216-T219 PolarHBondContact O-N 2.97Å; D216-T219 VanDerWaalsContact O-N 3.14Å; T219-Q221 PolarHBondContact O-N 3.32Å; T219-Y222 WeakPolarHBondContact O-CB 3.49Å; T219-Y222 PolarHBondContact O-N 3.08Å; T219-M223 HydrophobicContact CG2-CG 4.32Å; T219-M223 HydrophobicContact CG2-SD 4.11Å; T219-M223 WeakPolarHBondContact O-CG 3.22Å; T219-M223 PolarHBondContact O-N 3.38Å
220	P	98.6	Very high	98.2	Very high	88 Å²	88	68.8 Å²	68.8	57%	0.571	34%	0.343	S	S	*	.	H	α-helix	trans	-58.4	-45.2	176.4	-27.1	35.5	0	0	0	113.5	D216 Y222 M223 E224	D216-P220 VanDerWaalsContact O-CD 3.29Å; D216-P220 WeakPolarHBondContact O-CD 3.46Å; P220-Y222 VanDerWaalsContact C-N 3.32Å; P220-Y222 PolarHBondContact O-N 3.11Å; P220-M223 PolarHBondContact O-N 2.95Å; P220-E224 PolarHBondContact O-N 3.48Å
221	Q	98.2	Very high	98.3	Very high	101 Å²	101	67 Å²	67	47%	0.472	34%	0.337	S	S	.	.	H	α-helix	trans	-67.4	-35	177.9	-171.4	65.9	71.5	0	0	112	T219 E224 N225	T219-Q221 PolarHBondContact O-N 3.32Å; Q221-E224 PolarHBondContact NE2-OE2 3.43Å; Q221-N225 PolarHBondContact NE2-OD1 3.13Å; Q221-N225 WeakPolarHBondContact O-CB 3.41Å; Q221-N225 PolarHBondContact O-N 2.95Å; Q221-N225 PolarHBondContact O-ND2 3Å; Q221-N225 VanDerWaalsContact O-ND2 3.16Å
222	Y	98.6	Very high	98.3	Very high	10 Å²	10	71.8 Å²	71.8	4%	0.039	36%	0.357	C	S	.	.	H	α-helix	trans	-60.6	-49.3	172.9	161.8	-115.3	0	0	0	111	W19 Q142 W145 G218 T219 P220 N225 M226	W19-Y222 AromaticContact CE3-CE1 3.73Å; W19-Y222 HydrophobicContact CE3-CE1 3.73Å; W19-Y222 AromaticContact CE3-CZ 3.92Å; W19-Y222 HydrophobicContact CZ3-CE1 4.31Å; W19-Y222 PolarHBondContact O-OH 3.31Å; Q142-Y222 HydrophobicContact CB-CE2 4.01Å; Q142-Y222 HydrophobicContact CG-CE2 3.78Å; Q142-Y222 PolarHBondContact NE2-OH 3.09Å; W145-Y222 HydrophobicContact CB-CD1 4.36Å; W145-Y222 HydrophobicContact CB-CD2 3.75Å; W145-Y222 HydrophobicContact CB-CE2 4.46Å; W145-Y222 HydrophobicContact CB-CG 3.71Å; W145-Y222 AromaticContact CD1-CD1 3.75Å; W145-Y222 AromaticContact CD1-CG 3.77Å; W145-Y222 HydrophobicContact CD2-CD1 4.02Å; W145-Y222 HydrophobicContact CD2-CE1 4.15Å; W145-Y222 HydrophobicContact CD2-CG 4.26Å; W145-Y222 HydrophobicContact CE3-CE1 4.46Å; W145-Y222 AromaticContact CG-CD1 3.81Å; W145-Y222 HydrophobicContact CG-CD1 3.81Å; W145-Y222 HydrophobicContact CG-CD2 4.08Å; W145-Y222 HydrophobicContact CG-CE1 4.38Å; W145-Y222 AromaticContact CG-CG 3.64Å; W145-Y222 HydrophobicContact CG-CG 3.64Å; W145-Y222 AromaticContact NE1-CD1 3.94Å; G218-Y222 PolarHBondContact O-N 3.37Å; G218-Y222 VanDerWaalsContact O-N 3.13Å; T219-Y222 WeakPolarHBondContact O-CB 3.49Å; T219-Y222 PolarHBondContact O-N 3.08Å; P220-Y222 VanDerWaalsContact C-N 3.32Å; P220-Y222 PolarHBondContact O-N 3.11Å; Y222-N225 PolarHBondContact O-N 3.2Å; Y222-M226 HydrophobicContact CD2-CG 3.68Å; Y222-M226 HydrophobicContact CD2-SD 4.45Å; Y222-M226 HydrophobicContact CE2-CE 4.38Å; Y222-M226 HydrophobicContact CE2-CG 3.19Å; Y222-M226 HydrophobicContact CE2-SD 3.69Å; Y222-M226 WeakPolarHBondContact O-CB 3.43Å; Y222-M226 VanDerWaalsContact O-CG 3.22Å; Y222-M226 WeakPolarHBondContact O-CG 3.49Å; Y222-M226 PolarHBondContact O-N 3.25Å
223	M	98.7	Very high	98.3	Very high	72 Å²	72	69.6 Å²	69.6	36%	0.355	35%	0.346	S	S	.	.	H	α-helix	trans	-60.6	-49.7	178.7	-68.3	178	68.8	0	0	111.7	W19 T219 P220 N225 M226 E227	W19-M223 HydrophobicContact CE3-CG 4.38Å; W19-M223 HydrophobicContact CH2-CB 4.02Å; W19-M223 HydrophobicContact CH2-CE 4.12Å; W19-M223 HydrophobicContact CH2-CG 3.97Å; W19-M223 HydrophobicContact CZ2-CE 3.98Å; W19-M223 HydrophobicContact CZ3-CB 4.1Å; W19-M223 HydrophobicContact CZ3-CG 3.87Å; T219-M223 HydrophobicContact CG2-CG 4.32Å; T219-M223 HydrophobicContact CG2-SD 4.11Å; T219-M223 WeakPolarHBondContact O-CG 3.22Å; T219-M223 PolarHBondContact O-N 3.38Å; P220-M223 PolarHBondContact O-N 2.95Å; M223-N225 VanDerWaalsContact C-N 3.35Å; M223-N225 PolarHBondContact O-N 3.49Å; M223-M226 PolarHBondContact O-N 3.07Å; M223-E227 WeakPolarHBondContact O-CB 3.4Å; M223-E227 WeakPolarHBondContact O-CG 3.46Å; M223-E227 PolarHBondContact O-N 3.28Å
224	E	98.6	Very high	98.3	Very high	115 Å²	115	66.2 Å²	66.2	54%	0.537	33%	0.333	S	S	.	.	H	α-helix	trans	-55.8	-47.2	178.1	-176.6	-175.6	-165.3	0	0	112.1	P220 Q221 M226 E227 Q228	P220-E224 PolarHBondContact O-N 3.48Å; Q221-E224 PolarHBondContact NE2-OE2 3.43Å; E224-M226 PolarHBondContact O-N 3.38Å; E224-E227 PolarHBondContact O-N 3.02Å; E224-Q228 WeakPolarHBondContact O-CB 3.38Å; E224-Q228 PolarHBondContact O-N 3.22Å
225	N	98.7	Very high	98.4	Very high	49 Å²	49	67.9 Å²	67.9	26%	0.262	34%	0.34	S	S	.	.	H	α-helix	trans	-66.9	-38.1	-179.5	-68.6	-19.1	0	0	0	112.3	A141 Q221 Y222 M223 V229	A141-N225 HydrophobicContact CB-CB 3.69Å; Q221-N225 PolarHBondContact NE2-OD1 3.13Å; Q221-N225 WeakPolarHBondContact O-CB 3.41Å; Q221-N225 PolarHBondContact O-N 2.95Å; Q221-N225 PolarHBondContact O-ND2 3Å; Q221-N225 VanDerWaalsContact O-ND2 3.16Å; Y222-N225 PolarHBondContact O-N 3.2Å; M223-N225 VanDerWaalsContact C-N 3.35Å; M223-N225 PolarHBondContact O-N 3.49Å; N225-V229 WeakPolarHBondContact O-CG2 3.38Å; N225-V229 PolarHBondContact O-N 3.43Å
226	M	98.8	Very high	98.5	Very high	0 Å²	0	69.3 Å²	69.3	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-68.6	-43.5	176.8	-70.6	-69	-68.4	0	0	111.3	F18 W19 Y24 F138 A141 Q142 Y222 M223 E224 Q228 V229 F230	F18-M226 HydrophobicContact CE1-CB 4.26Å; F18-M226 HydrophobicContact CE1-CE 3.88Å; F18-M226 HydrophobicContact CE2-CE 4.35Å; F18-M226 HydrophobicContact CZ-CE 3.65Å; W19-M226 HydrophobicContact CZ3-CB 3.83Å; W19-M226 HydrophobicContact CZ3-CG 4.29Å; Y24-M226 HydrophobicContact CD1-CE 4.09Å; Y24-M226 HydrophobicContact CG-CE 4.44Å; F138-M226 HydrophobicContact CD1-CE 3.62Å; F138-M226 HydrophobicContact CD1-SD 3.87Å; F138-M226 HydrophobicContact CE1-CE 4.14Å; A141-M226 HydrophobicContact CB-CG 4.29Å; A141-M226 HydrophobicContact CB-SD 3.82Å; Q142-M226 HydrophobicContact CB-SD 3.93Å; Y222-M226 HydrophobicContact CD2-CG 3.68Å; Y222-M226 HydrophobicContact CD2-SD 4.45Å; Y222-M226 HydrophobicContact CE2-CE 4.38Å; Y222-M226 HydrophobicContact CE2-CG 3.19Å; Y222-M226 HydrophobicContact CE2-SD 3.69Å; Y222-M226 WeakPolarHBondContact O-CB 3.43Å; Y222-M226 VanDerWaalsContact O-CG 3.22Å; Y222-M226 WeakPolarHBondContact O-CG 3.49Å; Y222-M226 PolarHBondContact O-N 3.25Å; M223-M226 PolarHBondContact O-N 3.07Å; E224-M226 PolarHBondContact O-N 3.38Å; M226-Q228 VanDerWaalsContact C-N 3.31Å; M226-Q228 PolarHBondContact O-N 3.29Å; M226-V229 PolarHBondContact O-N 2.66Å; M226-F230 VanDerWaalsContact O-CB 3.31Å; M226-F230 WeakPolarHBondContact O-CB 3.24Å; M226-F230 PolarHBondContact O-N 3.01Å
227	E	98.8	Very high	98.5	Very high	101 Å²	101	65.2 Å²	65.2	47%	0.472	32%	0.324	S	S	.	.	H	α-helix	trans	-61.6	-40.1	176.5	-76	175.1	-164.1	0	0	111.3	W19 M223 E224 V229 F230 E231	W19-E227 HydrophobicContact CH2-CG 4.05Å; M223-E227 WeakPolarHBondContact O-CB 3.4Å; M223-E227 WeakPolarHBondContact O-CG 3.46Å; M223-E227 PolarHBondContact O-N 3.28Å; E224-E227 PolarHBondContact O-N 3.02Å; E227-V229 PolarHBondContact O-N 3.42Å; E227-F230 PolarHBondContact O-N 3.46Å; E227-E231 VanDerWaalsContact O-CB 3.3Å; E227-E231 WeakPolarHBondContact O-CB 3.33Å; E227-E231 PolarHBondContact O-N 2.98Å
228	Q	98.8	Very high	98.5	Very high	119 Å²	119	62.9 Å²	62.9	56%	0.556	31%	0.313	S	S	*	.	H	α-helix	trans	-58.6	-45.9	176.4	-172.8	-175.5	21.6	0	0	112.3	E224 M226 Q232	E224-Q228 WeakPolarHBondContact O-CB 3.38Å; E224-Q228 PolarHBondContact O-N 3.22Å; M226-Q228 VanDerWaalsContact C-N 3.31Å; M226-Q228 PolarHBondContact O-N 3.29Å; Q228-Q232 WeakPolarHBondContact O-CG 3.33Å; Q228-Q232 PolarHBondContact O-N 3.46Å
229	V	98.8	Very high	98.7	Very high	14 Å²	14	68.2 Å²	68.2	9%	0.085	33%	0.33	C	S	.	.	H	α-helix	trans	-71	-39.2	178.1	-178.8	0	0	0	0	110.7	F138 N225 M226 E227 E231 Q232 C233	F138-V229 HydrophobicContact CD1-CB 4Å; F138-V229 HydrophobicContact CD1-CG1 3.86Å; F138-V229 HydrophobicContact CD2-CG1 3.9Å; F138-V229 HydrophobicContact CE1-CB 3.85Å; F138-V229 HydrophobicContact CE1-CG1 3.82Å; F138-V229 HydrophobicContact CE2-CG1 3.87Å; F138-V229 HydrophobicContact CG-CG1 3.9Å; F138-V229 HydrophobicContact CZ-CB 4.26Å; F138-V229 HydrophobicContact CZ-CG1 3.83Å; N225-V229 WeakPolarHBondContact O-CG2 3.38Å; N225-V229 PolarHBondContact O-N 3.43Å; M226-V229 PolarHBondContact O-N 2.66Å; E227-V229 PolarHBondContact O-N 3.42Å; V229-E231 PolarHBondContact O-N 3.41Å; V229-Q232 WeakPolarHBondContact O-CB 3.44Å; V229-Q232 PolarHBondContact O-N 3.15Å; V229-C233 PolarHBondContact O-N 3.22Å; V229-C233 VanDerWaalsContact O-N 3.14Å; V229-C233 PolarHBondContact O-SG 3.18Å
230	F	98.8	Very high	98.7	Very high	64 Å²	64	67.4 Å²	67.4	28%	0.281	32%	0.322	S	S	.	.	H	α-helix	trans	-61.5	-43.1	177.2	-177.2	-97.8	0	0	0	112	F18 T27 F138 M226 E227 Q232 C233 Q234	F18-F230 AromaticContact CE2-CD2 3.99Å; F18-F230 HydrophobicContact CE2-CD2 3.99Å; F18-F230 HydrophobicContact CZ-CB 4.37Å; F18-F230 HydrophobicContact CZ-CD2 4.11Å; T27-F230 HydrophobicContact CG2-CD2 3.8Å; T27-F230 HydrophobicContact CG2-CE2 3.9Å; F138-F230 HydrophobicContact CE1-CB 4.19Å; F138-F230 HydrophobicContact CZ-CB 4.16Å; F138-F230 HydrophobicContact CZ-CD2 4.41Å; M226-F230 VanDerWaalsContact O-CB 3.31Å; M226-F230 WeakPolarHBondContact O-CB 3.24Å; M226-F230 PolarHBondContact O-N 3.01Å; E227-F230 PolarHBondContact O-N 3.46Å; F230-Q232 VanDerWaalsContact C-N 3.32Å; F230-Q232 PolarHBondContact O-N 3.05Å; F230-C233 CarbonylContact O-C 3.59Å; F230-C233 WeakPolarHBondContact O-CA 3.45Å; F230-C233 VanDerWaalsContact O-CB 3.31Å; F230-C233 WeakPolarHBondContact O-CB 3.24Å; F230-C233 PolarHBondContact O-N 3.07Å; F230-Q234 HydrophobicContact CD1-CG 3.83Å; F230-Q234 HydrophobicContact CE1-CG 3.47Å; F230-Q234 VanDerWaalsContact CE1-CG 3.47Å; F230-Q234 HydrophobicContact CZ-CG 3.95Å; F230-Q234 WeakPolarHBondContact O-CG 3.22Å; F230-Q234 PolarHBondContact O-N 3.39Å
231	E	98.8	Very high	98.7	Very high	95 Å²	95	67.6 Å²	67.6	44%	0.444	32%	0.318	S	S	.	.	H	α-helix	trans	-65.3	-35.3	178.9	-175.6	52.7	-147.6	0	0	112	E227 V229 C233 Q234 Q235	E227-E231 VanDerWaalsContact O-CB 3.3Å; E227-E231 WeakPolarHBondContact O-CB 3.33Å; E227-E231 PolarHBondContact O-N 2.98Å; V229-E231 PolarHBondContact O-N 3.41Å; E231-C233 VanDerWaalsContact C-N 3.32Å; E231-C233 PolarHBondContact O-N 2.69Å; E231-Q234 WeakPolarHBondContact O-CB 3.18Å; E231-Q234 PolarHBondContact O-N 3.13Å; E231-Q235 WeakPolarHBondContact O-CG 3.16Å; E231-Q235 PolarHBondContact O-N 3.48Å; E231-Q235 PolarHBondContact OE1-NE2 2.9Å
232	Q	98.7	Very high	98.7	Very high	115 Å²	115	70.5 Å²	70.5	54%	0.537	32%	0.324	S	S	.	.	H	α-helix	trans	-62	-40.7	170.3	-68.6	173.4	3.8	0	0	111.8	Q228 V229 F230 Q234 Q235 F236	Q228-Q232 WeakPolarHBondContact O-CG 3.33Å; Q228-Q232 PolarHBondContact O-N 3.46Å; V229-Q232 WeakPolarHBondContact O-CB 3.44Å; V229-Q232 PolarHBondContact O-N 3.15Å; F230-Q232 VanDerWaalsContact C-N 3.32Å; F230-Q232 PolarHBondContact O-N 3.05Å; Q232-Q234 VanDerWaalsContact C-N 3.33Å; Q232-Q235 PolarHBondContact O-N 2.99Å; Q232-F236 PolarHBondContact O-N 3.39Å
233	C	98.7	Very high	98.8	Very high	9 Å²	9	70.9 Å²	70.9	6%	0.061	33%	0.326	C	S	.	.	H	α-helix	trans	-66.7	-34.3	174.9	-59.8	0	0	0	0	112.1	T27 R30 V229 F230 E231 E237	T27-C233 HydrophobicContact CG2-CB 3.71Å; R30-C233 PolarHBondContact NH2-O 2.99Å; V229-C233 PolarHBondContact O-N 3.22Å; V229-C233 VanDerWaalsContact O-N 3.14Å; V229-C233 PolarHBondContact O-SG 3.18Å; F230-C233 CarbonylContact O-C 3.59Å; F230-C233 WeakPolarHBondContact O-CA 3.45Å; F230-C233 VanDerWaalsContact O-CB 3.31Å; F230-C233 WeakPolarHBondContact O-CB 3.24Å; F230-C233 PolarHBondContact O-N 3.07Å; E231-C233 VanDerWaalsContact C-N 3.32Å; E231-C233 PolarHBondContact O-N 2.69Å; C233-E237 WeakPolarHBondContact O-CB 3.22Å; C233-E237 PolarHBondContact O-N 3.47Å; C233-E237 VanDerWaalsContact O-N 3.07Å
234	Q	98.8	Very high	98.8	Very high	66 Å²	66	68.8 Å²	68.8	31%	0.308	32%	0.315	S	S	.	.	H	α-helix	trans	-67.6	-45	175.5	-71.1	-72.5	103	0	0	111.4	R30 F230 E231 Q232 F236 E237 E238	R30-Q234 VanDerWaalsContact CZ-OE1 3.29Å; F230-Q234 HydrophobicContact CD1-CG 3.83Å; F230-Q234 HydrophobicContact CE1-CG 3.47Å; F230-Q234 VanDerWaalsContact CE1-CG 3.47Å; F230-Q234 HydrophobicContact CZ-CG 3.95Å; F230-Q234 WeakPolarHBondContact O-CG 3.22Å; F230-Q234 PolarHBondContact O-N 3.39Å; E231-Q234 WeakPolarHBondContact O-CB 3.18Å; E231-Q234 PolarHBondContact O-N 3.13Å; Q232-Q234 VanDerWaalsContact C-N 3.33Å; Q234-F236 VanDerWaalsContact C-N 3.31Å; Q234-F236 PolarHBondContact O-N 2.94Å; Q234-E237 PolarHBondContact O-N 3.46Å; Q234-E238 WeakPolarHBondContact O-CB 3.3Å; Q234-E238 PolarHBondContact O-N 2.79Å
235	Q	98.8	Very high	98.8	Very high	95 Å²	95	71.5 Å²	71.5	44%	0.444	32%	0.32	S	S	.	.	H	α-helix	trans	-64.5	-36.1	177.1	-70.8	170.8	19.1	0	0	112.4	E231 Q232 K239	E231-Q235 WeakPolarHBondContact O-CG 3.16Å; E231-Q235 PolarHBondContact O-N 3.48Å; E231-Q235 PolarHBondContact OE1-NE2 2.9Å; Q232-Q235 PolarHBondContact O-N 2.99Å; Q235-K239 WeakPolarHBondContact O-CG 3.07Å; Q235-K239 PolarHBondContact O-N 2.91Å
236	F	98.7	Very high	98.8	Very high	42 Å²	42	73.6 Å²	73.6	18%	0.184	33%	0.329	C	S	.	.	H	α-helix	trans	-64.8	-45.3	173.3	-174.1	-105.6	0	0	0	111.6	I31 A119 F120 E130 Q232 Q234 E238 K239 R240	I31-F236 HydrophobicContact CG1-CD1 4.49Å; I31-F236 HydrophobicContact CG2-CD1 4.45Å; I31-F236 HydrophobicContact CG2-CE1 3.92Å; A119-F236 HydrophobicContact CB-CZ 4.43Å; F120-F236 HydrophobicContact CD1-CE1 4.49Å; F120-F236 HydrophobicContact CD1-CZ 4.19Å; F120-F236 AromaticContact CE1-CE1 3.67Å; F120-F236 HydrophobicContact CE1-CE1 3.67Å; F120-F236 AromaticContact CE1-CZ 3.71Å; F120-F236 HydrophobicContact CE1-CZ 3.71Å; F120-F236 AromaticContact CZ-CE1 3.96Å; F120-F236 HydrophobicContact CZ-CE1 3.96Å; F120-F236 AromaticContact CZ-CZ 3.98Å; F120-F236 HydrophobicContact CZ-CZ 3.98Å; E130-F236 HydrophobicContact CG-CE2 4.3Å; E130-F236 HydrophobicContact CG-CZ 4.26Å; Q232-F236 PolarHBondContact O-N 3.39Å; Q234-F236 VanDerWaalsContact C-N 3.31Å; Q234-F236 PolarHBondContact O-N 2.94Å; F236-E238 PolarHBondContact O-N 3.41Å; F236-K239 WeakPolarHBondContact O-CB 3.42Å; F236-K239 PolarHBondContact O-N 2.93Å; F236-R240 PolarHBondContact O-N 2.85Å
237	E	98.8	Very high	98.8	Very high	19 Å²	19	73.6 Å²	73.6	9%	0.089	33%	0.329	C	S	.	.	H	α-helix	trans	-65.4	-37.7	176.3	179.5	58.2	-166.5	0	0	112.4	C233 Q234 K239 R240 L241	C233-E237 WeakPolarHBondContact O-CB 3.22Å; C233-E237 PolarHBondContact O-N 3.47Å; C233-E237 VanDerWaalsContact O-N 3.07Å; Q234-E237 PolarHBondContact O-N 3.46Å; E237-K239 VanDerWaalsContact C-N 3.29Å; E237-K239 PolarHBondContact O-N 2.79Å; E237-R240 WeakPolarHBondContact O-CB 3.42Å; E237-R240 PolarHBondContact O-N 2.75Å; E237-R240 VanDerWaalsContact O-N 3.1Å; E237-R240 IonicContact OE1-CZ 3.83Å; E237-R240 IonicContact OE1-NE 2.76Å; E237-R240 PolarHBondContact OE1-NE 3.06Å; E237-R240 VanDerWaalsContact OE1-NE 3.08Å; E237-R240 IonicContact OE1-NH2 2.76Å; E237-R240 PolarHBondContact OE1-NH2 3.25Å; E237-R240 IonicContact OE2-NE 3.48Å; E237-R240 PolarHBondContact OE2-NE 3.21Å; E237-R240 VanDerWaalsContact OE2-NE 3.17Å; E237-L241 HydrophobicContact CG-CD1 4.02Å; E237-L241 HydrophobicContact CG-CG 4.22Å; E237-L241 WeakPolarHBondContact O-CG 3.47Å; E237-L241 PolarHBondContact O-N 3.44Å
238	E	98.8	Very high	98.8	Very high	84 Å²	84	73 Å²	73	39%	0.393	33%	0.328	S	S	.	.	H	α-helix	trans	-58.4	-41.4	176.8	-175.2	-176.9	-177	0	0	111.7	Q234 F236 R240 L241 R242	Q234-E238 WeakPolarHBondContact O-CB 3.3Å; Q234-E238 PolarHBondContact O-N 2.79Å; F236-E238 PolarHBondContact O-N 3.41Å; E238-R240 VanDerWaalsContact C-N 3.32Å; E238-R240 PolarHBondContact O-N 2.9Å; E238-L241 PolarHBondContact O-N 3.41Å; E238-R242 HydrophobicContact CG-CG 4.35Å; E238-R242 WeakPolarHBondContact O-CB 3.37Å; E238-R242 WeakPolarHBondContact O-CG 3.39Å; E238-R242 PolarHBondContact O-N 3.12Å; E238-R242 IonicContact OE1-CZ 3.16Å; E238-R242 IonicContact OE1-NE 3.25Å; E238-R242 PolarHBondContact OE1-NE 3.08Å; E238-R242 IonicContact OE1-NH2 3.95Å; E238-R242 PolarHBondContact OE1-NH2 3.42Å
239	K	98.8	Very high	98.8	Very high	136 Å²	136	70.9 Å²	70.9	59%	0.591	32%	0.32	S	S	*	.	H	α-helix	trans	-57.9	-45.7	175.4	-69.5	172.6	-175.7	178.1	0	111.1	W115 Q235 F236 E237 F243	W115-K239 HydrophobicContact CZ2-CB 4.49Å; Q235-K239 WeakPolarHBondContact O-CG 3.07Å; Q235-K239 PolarHBondContact O-N 2.91Å; F236-K239 WeakPolarHBondContact O-CB 3.42Å; F236-K239 PolarHBondContact O-N 2.93Å; E237-K239 VanDerWaalsContact C-N 3.29Å; E237-K239 PolarHBondContact O-N 2.79Å; K239-F243 WeakPolarHBondContact O-CB 3.32Å; K239-F243 PolarHBondContact O-N 3.4Å
240	R	98.8	Very high	98.8	Very high	22 Å²	22	72.6 Å²	72.6	8%	0.083	33%	0.327	C	S	.	.	H	α-helix	trans	-62.6	-47.3	177.2	-168.3	-165.4	70.8	81.1	-1	111.5	W115 F236 E237 E238 R242 F243 F244	W115-R240 HydrophobicContact CH2-CB 3.63Å; W115-R240 HydrophobicContact CH2-CG 3.68Å; W115-R240 HydrophobicContact CZ2-CB 4.22Å; W115-R240 HydrophobicContact CZ3-CB 4.45Å; W115-R240 HydrophobicContact CZ3-CG 4.01Å; F236-R240 PolarHBondContact O-N 2.85Å; E237-R240 WeakPolarHBondContact O-CB 3.42Å; E237-R240 PolarHBondContact O-N 2.75Å; E237-R240 VanDerWaalsContact O-N 3.1Å; E237-R240 IonicContact OE1-CZ 3.83Å; E237-R240 IonicContact OE1-NE 2.76Å; E237-R240 PolarHBondContact OE1-NE 3.06Å; E237-R240 VanDerWaalsContact OE1-NE 3.08Å; E237-R240 IonicContact OE1-NH2 2.76Å; E237-R240 PolarHBondContact OE1-NH2 3.25Å; E237-R240 IonicContact OE2-NE 3.48Å; E237-R240 PolarHBondContact OE2-NE 3.21Å; E237-R240 VanDerWaalsContact OE2-NE 3.17Å; E238-R240 VanDerWaalsContact C-N 3.32Å; E238-R240 PolarHBondContact O-N 2.9Å; R240-R242 PolarHBondContact O-N 3.09Å; R240-F243 PolarHBondContact O-N 3.17Å; R240-F244 HydrophobicContact CG-CD1 3.96Å; R240-F244 HydrophobicContact CG-CE1 3.85Å; R240-F244 VanDerWaalsContact NH1-CE2 3.29Å; R240-F244 WeakPolarHBondContact O-CB 3.33Å; R240-F244 VanDerWaalsContact O-CD1 3.31Å; R240-F244 WeakPolarHBondContact O-CD1 3.25Å; R240-F244 PolarHBondContact O-N 3.1Å
241	L	98.8	Very high	98.8	Very high	92 Å²	92	70.1 Å²	70.1	48%	0.482	32%	0.318	S	S	.	.	H	α-helix	trans	-62.1	-44.3	-178.5	-68.9	174	0	0	0	112.1	E237 E238 F244 R245	E237-L241 HydrophobicContact CG-CD1 4.02Å; E237-L241 HydrophobicContact CG-CG 4.22Å; E237-L241 WeakPolarHBondContact O-CG 3.47Å; E237-L241 PolarHBondContact O-N 3.44Å; E238-L241 PolarHBondContact O-N 3.41Å; L241-F244 PolarHBondContact O-N 3.03Å; L241-R245 PolarHBondContact O-N 3.2Å; L241-R245 VanDerWaalsContact O-N 3.08Å
242	R	98.8	Very high	98.8	Very high	162 Å²	162	70.1 Å²	70.1	61%	0.611	32%	0.318	S	S	*	.	H	α-helix	trans	-65.7	-42.5	176	-70.3	-178.2	-177.9	-80.2	-0.9	111.6	E238 R240 R245 E246	E238-R242 HydrophobicContact CG-CG 4.35Å; E238-R242 WeakPolarHBondContact O-CB 3.37Å; E238-R242 WeakPolarHBondContact O-CG 3.39Å; E238-R242 PolarHBondContact O-N 3.12Å; E238-R242 IonicContact OE1-CZ 3.16Å; E238-R242 IonicContact OE1-NE 3.25Å; E238-R242 PolarHBondContact OE1-NE 3.08Å; E238-R242 IonicContact OE1-NH2 3.95Å; E238-R242 PolarHBondContact OE1-NH2 3.42Å; R240-R242 PolarHBondContact O-N 3.09Å; R242-R245 PolarHBondContact O-N 3.4Å; R242-E246 PolarHBondContact O-N 3.35Å
243	F	98.9	Very high	98.7	Very high	17 Å²	17	70.8 Å²	70.8	8%	0.075	32%	0.319	C	S	.	.	H	α-helix	trans	-60.5	-46.1	176	175.6	-106.8	0	0	0	112.1	K111 I112 W115 K239 R240 R245 E246 V247	K111-F243 HydrophobicContact CG-CE2 4.02Å; K111-F243 HydrophobicContact CG-CZ 4.16Å; I112-F243 HydrophobicContact CB-CE1 4.44Å; I112-F243 HydrophobicContact CG1-CE1 4.2Å; I112-F243 HydrophobicContact CG1-CZ 4.3Å; I112-F243 HydrophobicContact CG2-CE1 4.47Å; W115-F243 HydrophobicContact CB-CD1 4.35Å; W115-F243 HydrophobicContact CB-CD2 4.41Å; W115-F243 HydrophobicContact CB-CE1 3.72Å; W115-F243 HydrophobicContact CB-CE2 3.77Å; W115-F243 HydrophobicContact CB-CZ 3.39Å; W115-F243 AromaticContact CD1-CD2 3.65Å; W115-F243 AromaticContact CD1-CE2 3.81Å; W115-F243 AromaticContact CD1-CG 3.86Å; W115-F243 AromaticContact CD2-CD1 3.55Å; W115-F243 HydrophobicContact CD2-CD1 3.55Å; W115-F243 HydrophobicContact CD2-CD2 4.38Å; W115-F243 AromaticContact CD2-CE1 3.76Å; W115-F243 HydrophobicContact CD2-CE1 3.76Å; W115-F243 AromaticContact CD2-CG 3.9Å; W115-F243 HydrophobicContact CD2-CG 3.9Å; W115-F243 HydrophobicContact CD2-CZ 4.25Å; W115-F243 AromaticContact CE2-CD1 3.95Å; W115-F243 AromaticContact CE2-CG 3.91Å; W115-F243 AromaticContact CE3-CD1 3.79Å; W115-F243 HydrophobicContact CE3-CD1 3.79Å; W115-F243 AromaticContact CE3-CE1 3.91Å; W115-F243 HydrophobicContact CE3-CE1 3.91Å; W115-F243 AromaticContact CG-CD1 3.79Å; W115-F243 HydrophobicContact CG-CD1 3.79Å; W115-F243 AromaticContact CG-CD2 3.89Å; W115-F243 HydrophobicContact CG-CD2 3.89Å; W115-F243 AromaticContact CG-CE1 3.66Å; W115-F243 HydrophobicContact CG-CE1 3.66Å; W115-F243 AromaticContact CG-CE2 3.75Å; W115-F243 HydrophobicContact CG-CE2 3.75Å; W115-F243 AromaticContact CG-CG 3.91Å; W115-F243 HydrophobicContact CG-CG 3.91Å; W115-F243 AromaticContact CG-CZ 3.65Å; W115-F243 HydrophobicContact CG-CZ 3.65Å; W115-F243 HydrophobicContact CZ2-CB 4.42Å; W115-F243 HydrophobicContact CZ3-CD1 4.41Å; W115-F243 AromaticContact NE1-CD2 3.99Å; W115-F243 AromaticContact NE1-CG 3.83Å; K239-F243 WeakPolarHBondContact O-CB 3.32Å; K239-F243 PolarHBondContact O-N 3.4Å; R240-F243 PolarHBondContact O-N 3.17Å; F243-R245 VanDerWaalsContact C-N 3.32Å; F243-R245 PolarHBondContact O-N 3.03Å; F243-E246 WeakPolarHBondContact O-CB 3.38Å; F243-E246 PolarHBondContact O-N 3.39Å; F243-E246 VanDerWaalsContact O-N 3.15Å; F243-V247 HydrophobicContact CD2-CG2 4.21Å; F243-V247 HydrophobicContact CE1-CG2 3.99Å; F243-V247 HydrophobicContact CE2-CG2 3.66Å; F243-V247 HydrophobicContact CZ-CG2 3.52Å; F243-V247 PolarHBondContact O-N 3.04Å
244	F	98.9	Very high	98.7	Very high	29 Å²	29	73 Å²	73	13%	0.127	33%	0.328	C	S	.	.	H	α-helix	trans	-58.7	-45.5	175.8	-91.1	46.7	0	0	0	111.1	L37 L41 R240 L241 E246 V247 L248	L37-F244 HydrophobicContact CB-CE2 4.34Å; L37-F244 HydrophobicContact CB-CZ 4.14Å; L41-F244 HydrophobicContact CB-CE2 4.31Å; L41-F244 HydrophobicContact CB-CZ 4.38Å; L41-F244 HydrophobicContact CD2-CD2 4.05Å; L41-F244 HydrophobicContact CD2-CE1 4.38Å; L41-F244 HydrophobicContact CD2-CE2 3.9Å; L41-F244 HydrophobicContact CD2-CG 4.35Å; L41-F244 HydrophobicContact CD2-CZ 4.07Å; R240-F244 HydrophobicContact CG-CD1 3.96Å; R240-F244 HydrophobicContact CG-CE1 3.85Å; R240-F244 VanDerWaalsContact NH1-CE2 3.29Å; R240-F244 WeakPolarHBondContact O-CB 3.33Å; R240-F244 VanDerWaalsContact O-CD1 3.31Å; R240-F244 WeakPolarHBondContact O-CD1 3.25Å; R240-F244 PolarHBondContact O-N 3.1Å; L241-F244 PolarHBondContact O-N 3.03Å; F244-E246 VanDerWaalsContact C-N 3.31Å; F244-E246 PolarHBondContact O-N 3.13Å; F244-V247 PolarHBondContact O-N 3.32Å; F244-L248 WeakPolarHBondContact O-CB 3.46Å; F244-L248 WeakPolarHBondContact O-CG 3.27Å; F244-L248 PolarHBondContact O-N 3.37Å
245	R	98.8	Very high	98.7	Very high	171 Å²	171	72 Å²	72	65%	0.645	33%	0.325	S	S	*	.	H	α-helix	trans	-60.2	-41.6	176.6	-177.3	-176.8	176.3	-76.3	-2.7	112	L241 R242 F243 L249	L241-R245 PolarHBondContact O-N 3.2Å; L241-R245 VanDerWaalsContact O-N 3.08Å; R242-R245 PolarHBondContact O-N 3.4Å; F243-R245 VanDerWaalsContact C-N 3.32Å; F243-R245 PolarHBondContact O-N 3.03Å; R245-L249 HydrophobicContact CG-CD1 4.34Å; R245-L249 WeakPolarHBondContact O-CG 3.49Å; R245-L249 PolarHBondContact O-N 3.21Å
246	E	98.8	Very high	98.7	Very high	94 Å²	94	69.5 Å²	69.5	44%	0.439	31%	0.314	S	S	.	.	H	α-helix	trans	-62.2	-53.2	178.1	-176.2	-175.3	146.9	0	0	111.4	K111 R242 F243 F244 L248 L249 E250	K111-E246 IonicContact NZ-OE1 3.32Å; K111-E246 PolarHBondContact NZ-OE1 3.26Å; R242-E246 PolarHBondContact O-N 3.35Å; F243-E246 WeakPolarHBondContact O-CB 3.38Å; F243-E246 PolarHBondContact O-N 3.39Å; F243-E246 VanDerWaalsContact O-N 3.15Å; F244-E246 VanDerWaalsContact C-N 3.31Å; F244-E246 PolarHBondContact O-N 3.13Å; E246-L248 PolarHBondContact O-N 2.8Å; E246-L249 PolarHBondContact O-N 3.3Å; E246-E250 PolarHBondContact O-N 3.49Å; E246-E250 VanDerWaalsContact O-N 3.13Å
247	V	98.8	Very high	98.6	Very high	0 Å²	0	68.5 Å²	68.5	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-62.4	-41.9	-179.6	173.7	0	0	0	0	111.5	D108 K111 I112 F243 F244 L249 E250 V251	D108-V247 HydrophobicContact CB-CG1 4.45Å; K111-V247 HydrophobicContact CD-CG2 4.18Å; K111-V247 HydrophobicContact CG-CG2 4.41Å; I112-V247 HydrophobicContact CD1-CG1 3.93Å; I112-V247 HydrophobicContact CG1-CG1 3.92Å; I112-V247 HydrophobicContact CG1-CG2 4.32Å; F243-V247 HydrophobicContact CD2-CG2 4.21Å; F243-V247 HydrophobicContact CE1-CG2 3.99Å; F243-V247 HydrophobicContact CE2-CG2 3.66Å; F243-V247 HydrophobicContact CZ-CG2 3.52Å; F243-V247 PolarHBondContact O-N 3.04Å; F244-V247 PolarHBondContact O-N 3.32Å; V247-L249 PolarHBondContact O-N 2.91Å; V247-E250 WeakPolarHBondContact O-CB 3.47Å; V247-E250 PolarHBondContact O-N 3.21Å; V247-V251 HydrophobicContact CG1-CG2 4.08Å; V247-V251 WeakPolarHBondContact O-CG2 3.42Å; V247-V251 PolarHBondContact O-N 2.89Å
248	L	98.8	Very high	98.4	Very high	87 Å²	87	70.8 Å²	70.8	46%	0.455	33%	0.329	S	S	.	.	H	α-helix	trans	-62.3	-32.4	178.6	-71.7	171.5	0	0	0	112.6	L41 F244 E246 Q252	L41-L248 HydrophobicContact CD1-CD2 4.1Å; F244-L248 WeakPolarHBondContact O-CB 3.46Å; F244-L248 WeakPolarHBondContact O-CG 3.27Å; F244-L248 PolarHBondContact O-N 3.37Å; E246-L248 PolarHBondContact O-N 2.8Å; L248-Q252 PolarHBondContact O-N 2.99Å; L248-Q252 VanDerWaalsContact O-N 3.1Å
249	L	98.8	Very high	97.9	Very high	75 Å²	75	72.1 Å²	72.1	39%	0.393	34%	0.339	S	S	.	.	H	α-helix	trans	-73.7	-29.2	173.6	-72.1	170	0	0	0	112.6	R245 E246 V247 K253	R245-L249 HydrophobicContact CG-CD1 4.34Å; R245-L249 WeakPolarHBondContact O-CG 3.49Å; R245-L249 PolarHBondContact O-N 3.21Å; E246-L249 PolarHBondContact O-N 3.3Å; V247-L249 PolarHBondContact O-N 2.91Å; L249-K253 WeakPolarHBondContact O-CG 3.31Å; L249-K253 PolarHBondContact O-N 3.39Å
250	E	98.6	Very high	97.6	Very high	50 Å²	50	68.1 Å²	68.1	23%	0.234	33%	0.326	C	S	.	.	H	α-helix	trans	-72.9	-47.9	173.7	-69.1	172.3	163.6	0	0	111	K111 E246 V247 Q252 K253 H254	K111-E250 WeakPolarHBondContact CD-OE2 3.21Å; K111-E250 IonicContact NZ-OE1 3.45Å; K111-E250 PolarHBondContact NZ-OE1 3.35Å; K111-E250 IonicContact NZ-OE2 2.9Å; K111-E250 PolarHBondContact NZ-OE2 2.88Å; E246-E250 PolarHBondContact O-N 3.49Å; E246-E250 VanDerWaalsContact O-N 3.13Å; V247-E250 WeakPolarHBondContact O-CB 3.47Å; V247-E250 PolarHBondContact O-N 3.21Å; E250-Q252 VanDerWaalsContact C-N 3.26Å; E250-Q252 PolarHBondContact O-N 3.02Å; E250-K253 WeakPolarHBondContact O-CA 3.38Å; E250-K253 WeakPolarHBondContact O-CB 3.4Å; E250-K253 PolarHBondContact O-N 3.31Å; E250-H254 PolarHBondContact O-N 2.74Å
251	V	98.8	Very high	96.8	Very high	13 Å²	13	73.3 Å²	73.3	8%	0.079	36%	0.36	C	S	.	.	H	α-helix	trans	-52.2	-46.1	173.1	169.5	0	0	0	0	110.8	L45 L104 D108 V247 K253 H254 L255	L45-V251 HydrophobicContact CD1-CG2 3.86Å; L45-V251 HydrophobicContact CD2-CB 4.45Å; L45-V251 HydrophobicContact CD2-CG1 3.79Å; L45-V251 HydrophobicContact CD2-CG2 3.77Å; L45-V251 HydrophobicContact CG-CG2 4.49Å; L104-V251 HydrophobicContact CD2-CG1 3.89Å; L104-V251 HydrophobicContact CD2-CG2 4.44Å; D108-V251 HydrophobicContact CB-CG2 3.76Å; D108-V251 WeakPolarHBondContact OD2-CG2 3.38Å; V247-V251 HydrophobicContact CG1-CG2 4.08Å; V247-V251 WeakPolarHBondContact O-CG2 3.42Å; V247-V251 PolarHBondContact O-N 2.89Å; V251-K253 VanDerWaalsContact C-N 3.3Å; V251-K253 PolarHBondContact O-N 2.87Å; V251-H254 PolarHBondContact O-N 3.05Å; V251-L255 HydrophobicContact CG1-CD1 3.86Å; V251-L255 HydrophobicContact CG1-CG 4.34Å; V251-L255 VanDerWaalsContact O-CG 3.28Å; V251-L255 WeakPolarHBondContact O-CG 3.42Å; V251-L255 PolarHBondContact O-N 3.41Å
252	Q	98.5	Very high	96.3	Very high	94 Å²	94	70.3 Å²	70.3	44%	0.439	35%	0.351	S	S	.	.	H	α-helix	trans	-58.1	-41.7	177.2	-179.1	-83.7	-48.4	0	0	112.3	L248 E250 L255 D256	L248-Q252 PolarHBondContact O-N 2.99Å; L248-Q252 VanDerWaalsContact O-N 3.1Å; E250-Q252 VanDerWaalsContact C-N 3.26Å; E250-Q252 PolarHBondContact O-N 3.02Å; Q252-L255 PolarHBondContact O-N 2.93Å; Q252-D256 WeakPolarHBondContact O-CB 3.15Å; Q252-D256 PolarHBondContact O-N 3.25Å
253	K	98.2	Very high	96.1	Very high	129 Å²	129	65.9 Å²	65.9	56%	0.561	34%	0.335	S	S	*	.	H	α-helix	trans	-66.7	-41	178	-67.1	167.1	-172.2	171.8	0	111.6	L249 E250 V251 L255 D256	L249-K253 WeakPolarHBondContact O-CG 3.31Å; L249-K253 PolarHBondContact O-N 3.39Å; E250-K253 WeakPolarHBondContact O-CA 3.38Å; E250-K253 WeakPolarHBondContact O-CB 3.4Å; E250-K253 PolarHBondContact O-N 3.31Å; V251-K253 VanDerWaalsContact C-N 3.3Å; V251-K253 PolarHBondContact O-N 2.87Å; K253-L255 VanDerWaalsContact C-N 3.28Å; K253-L255 PolarHBondContact O-N 3.37Å; K253-D256 PolarHBondContact O-N 2.78Å
254	H	98.3	Very high	95.9	Very high	56 Å²	56	72.2 Å²	72.2	26%	0.259	36%	0.363	S	S	.	.	H	α-helix	trans	-66.7	-30.7	178.2	-63.4	151.9	0	0	0	112.5	V100 D108 E250 V251	V100-H254 WeakPolarHBondContact CG2-O 3.49Å; D108-H254 VanDerWaalsContact CG-ND1 3.29Å; D108-H254 IonicContact OD1-CE1 2.75Å; D108-H254 PolarHBondContact OD1-CE1 2.82Å; D108-H254 VanDerWaalsContact OD1-CE1 3.22Å; D108-H254 IonicContact OD1-ND1 3.08Å; D108-H254 PolarHBondContact OD1-ND1 2.89Å; D108-H254 VanDerWaalsContact OD1-ND1 3.12Å; D108-H254 IonicContact OD2-CE1 3.48Å; D108-H254 IonicContact OD2-CG 3.17Å; D108-H254 IonicContact OD2-ND1 2.71Å; D108-H254 PolarHBondContact OD2-ND1 2.94Å; E250-H254 PolarHBondContact O-N 2.74Å; V251-H254 PolarHBondContact O-N 3.05Å
255	L	98.3	Very high	95.7	Very high	46 Å²	46	72.6 Å²	72.6	24%	0.241	37%	0.371	C	S	.	.	H	α-helix	trans	-79.1	-21.3	176.1	-67.9	175.5	0	0	0	113.7	R48 V100 L104 V251 Q252 K253 L257	R48-L255 HydrophobicContact CG-CD2 4.39Å; V100-L255 HydrophobicContact CG1-CD2 3.64Å; L104-L255 HydrophobicContact CD1-CD2 3.93Å; L104-L255 HydrophobicContact CD2-CD2 4.2Å; L104-L255 HydrophobicContact CD2-CG 4.39Å; L104-L255 HydrophobicContact CG-CD2 4.43Å; V251-L255 HydrophobicContact CG1-CD1 3.86Å; V251-L255 HydrophobicContact CG1-CG 4.34Å; V251-L255 VanDerWaalsContact O-CG 3.28Å; V251-L255 WeakPolarHBondContact O-CG 3.42Å; V251-L255 PolarHBondContact O-N 3.41Å; Q252-L255 PolarHBondContact O-N 2.93Å; K253-L255 VanDerWaalsContact C-N 3.28Å; K253-L255 PolarHBondContact O-N 3.37Å; L255-L257 PolarHBondContact O-N 2.97Å
256	D	98.2	Very high	95.7	Very high	41 Å²	41	64.7 Å²	64.7	22%	0.219	34%	0.342	C	S	.	.			trans	-87.8	86.6	-171.8	-173.3	1.6	0	0	0	112.7	Q252 K253 S258 N259	Q252-D256 WeakPolarHBondContact O-CB 3.15Å; Q252-D256 PolarHBondContact O-N 3.25Å; K253-D256 PolarHBondContact O-N 2.78Å; D256-S258 PolarHBondContact O-N 2.88Å; D256-S258 WeakPolarHBondContact OD1-CB 3.32Å; D256-S258 PolarHBondContact OD1-N 2.79Å; D256-S258 PolarHBondContact OD1-OG 3.27Å; D256-S258 PolarHBondContact OD2-OG 2.66Å; D256-N259 VanDerWaalsContact CG-ND2 3.3Å; D256-N259 PolarHBondContact O-N 2.85Å; D256-N259 PolarHBondContact OD2-ND2 2.85Å
257	L	96.9	Very high	95.6	Very high	21 Å²	21	64.6 Å²	64.6	11%	0.11	34%	0.338	C	S	.	.	G	3₁₀ helix	trans	-63	-17.4	175.2	-64.1	-178.1	0	0	0	113.7	L96 V100 L255 N259 V260 Y263	L96-L257 HydrophobicContact CB-CD2 4.3Å; V100-L257 HydrophobicContact CG2-CD2 3.67Å; V100-L257 HydrophobicContact CG2-CG 4.38Å; L255-L257 PolarHBondContact O-N 2.97Å; L257-N259 PolarHBondContact O-N 2.91Å; L257-V260 HydrophobicContact CD2-CG2 4.3Å; L257-V260 WeakPolarHBondContact O-CB 3.29Å; L257-V260 PolarHBondContact O-N 2.88Å; L257-Y263 HydrophobicContact CB-CD1 4.29Å; L257-Y263 HydrophobicContact CB-CD2 4.33Å; L257-Y263 HydrophobicContact CB-CG 4.17Å; L257-Y263 HydrophobicContact CD1-CD2 4.34Å; L257-Y263 HydrophobicContact CD1-CE2 4.17Å; L257-Y263 WeakPolarHBondContact O-CB 3.41Å
258	S	94.8	Very high	95.6	Very high	67 Å²	67	69.8 Å²	69.8	47%	0.469	36%	0.362	S	S	.	.	G	3₁₀ helix	trans	-67.2	-23.5	-179.4	79.6	0	0	0	0	112.8	D256	D256-S258 PolarHBondContact O-N 2.88Å; D256-S258 WeakPolarHBondContact OD1-CB 3.32Å; D256-S258 PolarHBondContact OD1-N 2.79Å; D256-S258 PolarHBondContact OD1-OG 3.27Å; D256-S258 PolarHBondContact OD2-OG 2.66Å
259	N	89.2	Confident	95.5	Very high	113 Å²	113	68.4 Å²	68.4	60%	0.604	36%	0.355	S	S	*	.	G	3₁₀ helix	trans	-86.3	-11	175.2	-64.4	-40.1	0	0	0	113.1	D256 L257 T261	D256-N259 VanDerWaalsContact CG-ND2 3.3Å; D256-N259 PolarHBondContact O-N 2.85Å; D256-N259 PolarHBondContact OD2-ND2 2.85Å; L257-N259 PolarHBondContact O-N 2.91Å; N259-T261 PolarHBondContact O-N 2.92Å
260	V	90.9	Very high	95.5	Very high	52 Å²	52	66 Å²	66	32%	0.315	34%	0.342	S	S	.	.			trans	-81.5	111.3	177.5	-177.8	0	0	0	0	108.4	L96 L257 G262 Y263	L96-V260 HydrophobicContact CD2-CG1 4.07Å; L257-V260 HydrophobicContact CD2-CG2 4.3Å; L257-V260 WeakPolarHBondContact O-CB 3.29Å; L257-V260 PolarHBondContact O-N 2.88Å; V260-G262 PolarHBondContact O-N 2.91Å; V260-G262 VanDerWaalsContact O-N 3.16Å; V260-Y263 WeakPolarHBondContact O-CB 3.38Å; V260-Y263 PolarHBondContact O-N 2.87Å
261	T	83.3	Confident	95.5	Very high	131 Å²	131	67.8 Å²	67.8	80%	0.804	35%	0.351	S	S	*	.	H	α-helix	trans	-55.9	-34.1	179	47.5	0	0	0	0	112.3	N259 Y263	N259-T261 PolarHBondContact O-N 2.92Å; T261-Y263 VanDerWaalsContact C-N 3.29Å; T261-Y263 PolarHBondContact O-N 2.86Å
262	G	88	Confident	95.5	Very high	29 Å²	29	72.8 Å²	72.8	30%	0.299	37%	0.373	S	S	.	.	H	α-helix	trans	-61.3	-30.2	175.2	0	0	0	0	0	114.3	V260 A265 V266	V260-G262 PolarHBondContact O-N 2.91Å; V260-G262 VanDerWaalsContact O-N 3.16Å; G262-A265 PolarHBondContact O-N 3.46Å; G262-V266 WeakPolarHBondContact O-CG2 3.34Å; G262-V266 PolarHBondContact O-N 3.05Å
263	Y	94	Very high	95.5	Very high	68 Å²	68	70.7 Å²	70.7	27%	0.267	37%	0.369	S	S	.	.	H	α-helix	trans	-66.7	-44.6	-176.4	-175.3	-118	0	0	0	112.2	L96 L257 V260 T261 A265 V266 Y267	L96-Y263 HydrophobicContact CD1-CD2 3.66Å; L96-Y263 HydrophobicContact CD1-CG 4.41Å; L257-Y263 HydrophobicContact CB-CD1 4.29Å; L257-Y263 HydrophobicContact CB-CD2 4.33Å; L257-Y263 HydrophobicContact CB-CG 4.17Å; L257-Y263 HydrophobicContact CD1-CD2 4.34Å; L257-Y263 HydrophobicContact CD1-CE2 4.17Å; L257-Y263 WeakPolarHBondContact O-CB 3.41Å; V260-Y263 WeakPolarHBondContact O-CB 3.38Å; V260-Y263 PolarHBondContact O-N 2.87Å; T261-Y263 VanDerWaalsContact C-N 3.29Å; T261-Y263 PolarHBondContact O-N 2.86Å; Y263-A265 VanDerWaalsContact C-N 3.3Å; Y263-A265 PolarHBondContact O-N 2.78Å; Y263-V266 WeakPolarHBondContact O-CB 3.49Å; Y263-V266 PolarHBondContact O-N 2.92Å; Y263-Y267 HydrophobicContact CD2-CE2 4.12Å; Y263-Y267 HydrophobicContact CE1-CE2 4.07Å; Y263-Y267 AromaticContact CE2-CE2 3.68Å; Y263-Y267 HydrophobicContact CE2-CE2 3.68Å; Y263-Y267 AromaticContact CZ-CE2 3.65Å; Y263-Y267 WeakPolarHBondContact O-CD2 3.44Å; Y263-Y267 PolarHBondContact OH-OH 3.49Å
264	K	94.6	Very high	95.5	Very high	151 Å²	151	67.8 Å²	67.8	66%	0.657	36%	0.359	S	S	*	.	H	α-helix	trans	-66.2	-33.8	176.8	-66.1	-179.1	-176.2	175.1	0	112.4	V266 Y267 H268	K264-V266 VanDerWaalsContact C-N 3.3Å; K264-V266 PolarHBondContact O-N 3.44Å; K264-Y267 PolarHBondContact O-N 2.86Å; K264-H268 PolarHBondContact O-N 2.55Å
265	A	95.8	Very high	95.5	Very high	37 Å²	37	73.9 Å²	73.9	31%	0.306	38%	0.38	S	S	.	.	H	α-helix	trans	-64.9	-34.3	179.2	0	0	0	0	0	112.2	G262 Y263 Y267 H268 D269	G262-A265 PolarHBondContact O-N 3.46Å; Y263-A265 VanDerWaalsContact C-N 3.3Å; Y263-A265 PolarHBondContact O-N 2.78Å; A265-Y267 VanDerWaalsContact C-N 3.34Å; A265-Y267 PolarHBondContact O-N 2.9Å; A265-H268 PolarHBondContact O-N 3.35Å; A265-D269 VanDerWaalsContact O-CG 3.24Å; A265-D269 PolarHBondContact O-N 2.99Å
266	V	97.8	Very high	95.5	Very high	5 Å²	5	74.9 Å²	74.9	3%	0.03	40%	0.395	C	S	.	.	H	α-helix	trans	-53.9	-50.9	176.7	175.5	0	0	0	0	111.3	E89 R92 V93 L96 G262 Y263 K264 D269 L270	E89-V266 HydrophobicContact CB-CG1 4.16Å; E89-V266 HydrophobicContact CG-CG1 3.54Å; R92-V266 HydrophobicContact CB-CG1 4.24Å; R92-V266 HydrophobicContact CB-CG2 3.85Å; V93-V266 HydrophobicContact CG2-CG1 4.19Å; L96-V266 HydrophobicContact CD1-CG2 4.38Å; G262-V266 WeakPolarHBondContact O-CG2 3.34Å; G262-V266 PolarHBondContact O-N 3.05Å; Y263-V266 WeakPolarHBondContact O-CB 3.49Å; Y263-V266 PolarHBondContact O-N 2.92Å; K264-V266 VanDerWaalsContact C-N 3.3Å; K264-V266 PolarHBondContact O-N 3.44Å; V266-D269 PolarHBondContact O-N 3.04Å; V266-L270 PolarHBondContact O-N 2.79Å
267	Y	97.6	Very high	95.6	Very high	91 Å²	91	74.8 Å²	74.8	36%	0.357	40%	0.4	S	S	.	.	H	α-helix	trans	-75.8	-27.6	-177.4	-60.3	-78.3	0	0	0	113	E89 Y263 K264 A265 E271	E89-Y267 HydrophobicContact CG-CD1 4.49Å; E89-Y267 HydrophobicContact CG-CE1 4.25Å; E89-Y267 WeakPolarHBondContact OE1-CE1 3.3Å; Y263-Y267 HydrophobicContact CD2-CE2 4.12Å; Y263-Y267 HydrophobicContact CE1-CE2 4.07Å; Y263-Y267 AromaticContact CE2-CE2 3.68Å; Y263-Y267 HydrophobicContact CE2-CE2 3.68Å; Y263-Y267 AromaticContact CZ-CE2 3.65Å; Y263-Y267 WeakPolarHBondContact O-CD2 3.44Å; Y263-Y267 PolarHBondContact OH-OH 3.49Å; K264-Y267 PolarHBondContact O-N 2.86Å; A265-Y267 VanDerWaalsContact C-N 3.34Å; A265-Y267 PolarHBondContact O-N 2.9Å; Y267-E271 WeakPolarHBondContact O-CB 3.41Å; Y267-E271 PolarHBondContact O-N 3.38Å
268	H	97.3	Very high	95.7	Very high	109 Å²	109	77 Å²	77	51%	0.505	41%	0.411	S	S	.	.	H	α-helix	trans	-63.5	-46.6	171	-177.4	64.9	0	0	0	111.6	K264 A265 L270 E271 Q272	K264-H268 PolarHBondContact O-N 2.55Å; A265-H268 PolarHBondContact O-N 3.35Å; H268-L270 VanDerWaalsContact C-N 3.34Å; H268-L270 PolarHBondContact O-N 3.19Å; H268-E271 PolarHBondContact O-N 3.15Å; H268-Q272 WeakPolarHBondContact O-CB 3.31Å; H268-Q272 PolarHBondContact O-N 3.2Å
269	D	97.8	Very high	95.8	Very high	58 Å²	58	76.8 Å²	76.8	31%	0.31	41%	0.414	S	S	.	.	H	α-helix	trans	-66.7	-36.8	179.3	-64.6	-20.2	0	0	0	111.5	R92 A265 V266 Q272 S273	R92-D269 IonicContact CZ-OD2 3.75Å; R92-D269 IonicContact NH1-OD2 3.67Å; R92-D269 PolarHBondContact NH1-OD2 3.42Å; R92-D269 IonicContact NH2-OD2 2.74Å; R92-D269 PolarHBondContact NH2-OD2 3.35Å; A265-D269 VanDerWaalsContact O-CG 3.24Å; A265-D269 PolarHBondContact O-N 2.99Å; V266-D269 PolarHBondContact O-N 3.04Å; D269-Q272 PolarHBondContact O-N 3.1Å; D269-S273 WeakPolarHBondContact O-CB 3.46Å; D269-S273 PolarHBondContact O-N 3.36Å; D269-S273 PolarHBondContact O-OG 2.88Å
270	L	98.6	Very high	96.3	Very high	24 Å²	24	74.9 Å²	74.9	13%	0.126	41%	0.406	C	S	.	.	H	α-helix	trans	-60.4	-51.5	172.5	176.3	61.1	0	0	0	111	A85 F86 E89 V266 H268 Q272 S273 I274	A85-L270 HydrophobicContact CB-CD1 3.78Å; F86-L270 HydrophobicContact CD1-CD1 4.44Å; F86-L270 HydrophobicContact CD2-CD1 4.17Å; F86-L270 HydrophobicContact CE2-CD1 4.42Å; F86-L270 HydrophobicContact CG-CD1 4.18Å; E89-L270 HydrophobicContact CB-CD1 4.46Å; E89-L270 HydrophobicContact CB-CD2 4.15Å; E89-L270 HydrophobicContact CG-CD2 4.01Å; V266-L270 PolarHBondContact O-N 2.79Å; H268-L270 VanDerWaalsContact C-N 3.34Å; H268-L270 PolarHBondContact O-N 3.19Å; L270-Q272 VanDerWaalsContact C-N 3.32Å; L270-Q272 PolarHBondContact O-N 3.31Å; L270-S273 PolarHBondContact O-N 3.08Å; L270-I274 HydrophobicContact CD1-CD1 3.88Å; L270-I274 HydrophobicContact CD1-CG1 4.31Å; L270-I274 HydrophobicContact CG-CD1 3.95Å; L270-I274 WeakPolarHBondContact O-CG1 3.48Å; L270-I274 PolarHBondContact O-N 3.39Å
271	E	98.6	Very high	96.7	Very high	88 Å²	88	77.4 Å²	77.4	41%	0.411	42%	0.415	S	S	.	.	H	α-helix	trans	-58.6	-44.8	178.6	178.9	177.4	-153.4	0	0	111.6	Y267 H268 S273 I274 R275	Y267-E271 WeakPolarHBondContact O-CB 3.41Å; Y267-E271 PolarHBondContact O-N 3.38Å; H268-E271 PolarHBondContact O-N 3.15Å; E271-S273 VanDerWaalsContact C-N 3.32Å; E271-S273 PolarHBondContact O-N 3.36Å; E271-I274 PolarHBondContact O-N 3.05Å; E271-R275 HydrophobicContact CG-CG 4.45Å; E271-R275 WeakPolarHBondContact O-CG 3.39Å; E271-R275 PolarHBondContact O-N 2.87Å; E271-R275 IonicContact OE1-CZ 2.85Å; E271-R275 IonicContact OE1-NE 3.85Å; E271-R275 PolarHBondContact OE1-NE 3.36Å; E271-R275 IonicContact OE1-NH2 3.77Å; E271-R275 PolarHBondContact OE1-NH2 3.46Å
272	Q	98.6	Very high	97.4	Very high	118 Å²	118	71.9 Å²	71.9	55%	0.551	38%	0.38	S	S	*	.	H	α-helix	trans	-61.5	-41.5	178.3	-175.3	176.7	-5.5	0	0	111.8	H268 D269 L270 I274 R275 A276	H268-Q272 WeakPolarHBondContact O-CB 3.31Å; H268-Q272 PolarHBondContact O-N 3.2Å; D269-Q272 PolarHBondContact O-N 3.1Å; L270-Q272 VanDerWaalsContact C-N 3.32Å; L270-Q272 PolarHBondContact O-N 3.31Å; Q272-I274 VanDerWaalsContact C-N 3.35Å; Q272-R275 PolarHBondContact O-N 3.37Å; Q272-A276 PolarHBondContact O-N 3.35Å; Q272-A276 VanDerWaalsContact O-N 3.09Å
273	S	98.6	Very high	97.9	Very high	50 Å²	50	76.4 Å²	76.4	35%	0.35	40%	0.397	S	S	.	.	H	α-helix	trans	-65.9	-37.7	179.2	-59.2	0	0	0	0	112.2	A85 D269 L270 E271 A276	A85-S273 VanDerWaalsContact CB-CB 3.44Å; D269-S273 WeakPolarHBondContact O-CB 3.46Å; D269-S273 PolarHBondContact O-N 3.36Å; D269-S273 PolarHBondContact O-OG 2.88Å; L270-S273 PolarHBondContact O-N 3.08Å; E271-S273 VanDerWaalsContact C-N 3.32Å; E271-S273 PolarHBondContact O-N 3.36Å; S273-A276 PolarHBondContact O-N 2.95Å
274	I	98.7	Very high	98.1	Very high	69 Å²	69	81.3 Å²	81.3	35%	0.354	42%	0.415	S	S	.	.	H	α-helix	trans	-68.3	-44.6	176	-65.5	166	0	0	0	110.8	F86 L270 E271 Q272 A276 A277	F86-I274 HydrophobicContact CE2-CD1 3.64Å; F86-I274 HydrophobicContact CE2-CG1 4.02Å; F86-I274 HydrophobicContact CZ-CD1 3.63Å; F86-I274 HydrophobicContact CZ-CG1 4.49Å; L270-I274 HydrophobicContact CD1-CD1 3.88Å; L270-I274 HydrophobicContact CD1-CG1 4.31Å; L270-I274 HydrophobicContact CG-CD1 3.95Å; L270-I274 WeakPolarHBondContact O-CG1 3.48Å; L270-I274 PolarHBondContact O-N 3.39Å; E271-I274 PolarHBondContact O-N 3.05Å; Q272-I274 VanDerWaalsContact C-N 3.35Å; I274-A276 PolarHBondContact O-N 3.37Å; I274-A277 VanDerWaalsContact O-CB 3.3Å; I274-A277 WeakPolarHBondContact O-CB 3.4Å; I274-A277 PolarHBondContact O-N 3.49Å; I274-A277 VanDerWaalsContact O-N 3.1Å
275	R	98.6	Very high	98.3	Very high	184 Å²	184	79.7 Å²	79.7	69%	0.694	41%	0.405	S	S	*	.	H	α-helix	trans	-63.5	-24.3	177.8	-72.8	177.1	179.7	-161	1	113.3	E271 Q272 A277	E271-R275 HydrophobicContact CG-CG 4.45Å; E271-R275 WeakPolarHBondContact O-CG 3.39Å; E271-R275 PolarHBondContact O-N 2.87Å; E271-R275 IonicContact OE1-CZ 2.85Å; E271-R275 IonicContact OE1-NE 3.85Å; E271-R275 PolarHBondContact OE1-NE 3.36Å; E271-R275 IonicContact OE1-NH2 3.77Å; E271-R275 PolarHBondContact OE1-NH2 3.46Å; Q272-R275 PolarHBondContact O-N 3.37Å; R275-A277 PolarHBondContact O-N 2.99Å
276	A	98.6	Very high	98.5	Very high	67 Å²	67	82.1 Å²	82.1	55%	0.554	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-4.8	176.7	0	0	0	0	0	113.7	Q272 S273 I274 D278	Q272-A276 PolarHBondContact O-N 3.35Å; Q272-A276 VanDerWaalsContact O-N 3.09Å; S273-A276 PolarHBondContact O-N 2.95Å; I274-A276 PolarHBondContact O-N 3.37Å; A276-D278 PolarHBondContact O-N 3.48Å
277	A	98.8	Very high	98.5	Very high	39 Å²	39	89.2 Å²	89.2	32%	0.322	44%	0.435	S	S	.	.			trans	-67.5	121	172.5	0	0	0	0	0	110.8	V79 A82 I274 R275	V79-A277 HydrophobicContact CG2-CB 4.2Å; A82-A277 HydrophobicContact CB-CB 4Å; I274-A277 VanDerWaalsContact O-CB 3.3Å; I274-A277 WeakPolarHBondContact O-CB 3.4Å; I274-A277 PolarHBondContact O-N 3.49Å; I274-A277 VanDerWaalsContact O-N 3.1Å; R275-A277 PolarHBondContact O-N 2.99Å
278	D	98.8	Very high	98.5	Very high	66 Å²	66	87.3 Å²	87.3	35%	0.353	44%	0.438	S	S	.	.			trans	-122.4	103.9	-179.8	-174.2	-21.8	0	0	0	110	T78 A276 V280 E281 D282	T78-D278 PolarHBondContact OG1-N 2.93Å; T78-D278 PolarHBondContact OG1-O 3.38Å; A276-D278 PolarHBondContact O-N 3.48Å; D278-V280 PolarHBondContact O-N 3.06Å; D278-V280 WeakPolarHBondContact OD1-CA 3.34Å; D278-V280 WeakPolarHBondContact OD1-CB 3.13Å; D278-V280 PolarHBondContact OD1-N 3.22Å; D278-E281 HydrophobicContact CB-CB 3.82Å; D278-E281 PolarHBondContact O-N 2.78Å; D278-E281 PolarHBondContact OD1-N 2.74Å; D278-D282 PolarHBondContact O-N 2.86Å; D278-D282 VanDerWaalsContact O-N 3.1Å
279	A	98.8	Very high	98.6	Very high	64 Å²	64	85.7 Å²	85.7	53%	0.529	43%	0.433	S	S	.	.	H	α-helix	trans	-61	-32.5	178.3	0	0	0	0	0	112.8	L283	A279-L283 WeakPolarHBondContact O-CB 3.29Å; A279-L283 WeakPolarHBondContact O-CG 3.02Å; A279-L283 PolarHBondContact O-N 3.16Å
280	V	98.8	Very high	98.5	Very high	73 Å²	73	88.3 Å²	88.3	44%	0.442	44%	0.443	S	S	.	.	H	α-helix	trans	-73.3	-39.1	-179.5	-176.8	0	0	0	0	110.2	D278 R284	D278-V280 PolarHBondContact O-N 3.06Å; D278-V280 WeakPolarHBondContact OD1-CA 3.34Å; D278-V280 WeakPolarHBondContact OD1-CB 3.13Å; D278-V280 PolarHBondContact OD1-N 3.22Å; V280-R284 WeakPolarHBondContact O-CB 3.49Å; V280-R284 WeakPolarHBondContact O-CG 3.47Å; V280-R284 PolarHBondContact O-N 3.19Å
281	E	98.7	Very high	98.4	Very high	104 Å²	104	88.1 Å²	88.1	49%	0.486	45%	0.447	S	S	.	.	H	α-helix	trans	-59.1	-51.1	172.4	-172.5	177.5	161.2	0	0	111.2	T78 D278 L283 R284 W285	T78-E281 HydrophobicContact CG2-CG 4.5Å; D278-E281 HydrophobicContact CB-CB 3.82Å; D278-E281 PolarHBondContact O-N 2.78Å; D278-E281 PolarHBondContact OD1-N 2.74Å; E281-L283 PolarHBondContact O-N 2.77Å; E281-R284 WeakPolarHBondContact O-CB 3.36Å; E281-R284 PolarHBondContact O-N 2.79Å; E281-W285 PolarHBondContact O-N 3.44Å
282	D	98.8	Very high	98.4	Very high	16 Å²	16	89 Å²	89	9%	0.086	46%	0.461	C	S	.	.	H	α-helix	trans	-62.7	-42.3	-178.1	-72.4	7.2	0	0	0	111.8	T78 V79 D278 W285 F286	T78-D282 WeakPolarHBondContact CB-OD1 3.4Å; T78-D282 WeakPolarHBondContact CG2-OD1 3.26Å; T78-D282 PolarHBondContact N-OD1 2.86Å; T78-D282 PolarHBondContact N-OD2 2.78Å; T78-D282 VanDerWaalsContact N-OD2 3.13Å; T78-D282 VanDerWaalsContact OG1-CG 3.24Å; T78-D282 PolarHBondContact OG1-OD1 2.8Å; T78-D282 PolarHBondContact OG1-OD2 2.99Å; V79-D282 PolarHBondContact N-OD2 2.68Å; D278-D282 PolarHBondContact O-N 2.86Å; D278-D282 VanDerWaalsContact O-N 3.1Å; D282-W285 PolarHBondContact O-N 2.87Å; D282-F286 PolarHBondContact O-N 3.03Å
283	L	98.7	Very high	98.3	Very high	124 Å²	124	85.7 Å²	85.7	65%	0.649	46%	0.458	S	S	*	.	H	α-helix	trans	-65.5	-37.4	175.8	-73.5	173.4	0	0	0	112.6	A279 E281 F286 R287	A279-L283 WeakPolarHBondContact O-CB 3.29Å; A279-L283 WeakPolarHBondContact O-CG 3.02Å; A279-L283 PolarHBondContact O-N 3.16Å; E281-L283 PolarHBondContact O-N 2.77Å; L283-F286 PolarHBondContact O-N 2.86Å; L283-R287 WeakPolarHBondContact O-CB 3.35Å; L283-R287 PolarHBondContact O-N 3.07Å
284	R	98.7	Very high	98.3	Very high	171 Å²	171	88.4 Å²	88.4	65%	0.645	47%	0.467	S	S	*	.	H	α-helix	trans	-64.1	-45	175.4	-77.7	172.4	-170.6	158.7	6.6	110.8	V280 E281 R287 A288	V280-R284 WeakPolarHBondContact O-CB 3.49Å; V280-R284 WeakPolarHBondContact O-CG 3.47Å; V280-R284 PolarHBondContact O-N 3.19Å; E281-R284 WeakPolarHBondContact O-CB 3.36Å; E281-R284 PolarHBondContact O-N 2.79Å; R284-R287 PolarHBondContact O-N 2.9Å; R284-A288 WeakPolarHBondContact O-CB 3.44Å; R284-A288 PolarHBondContact O-N 3.4Å
285	W	98.6	Very high	98.2	Very high	117 Å²	117	90.1 Å²	90.1	44%	0.443	49%	0.491	S	S	.	.	H	α-helix	trans	-58	-50.2	175.9	-179.4	90	0	0	0	110.9	Y76 E281 D282 R287 A288 N289 H290	Y76-W285 AromaticContact CD2-CE3 3.7Å; Y76-W285 HydrophobicContact CD2-CE3 3.7Å; Y76-W285 HydrophobicContact CD2-CH2 4.5Å; Y76-W285 AromaticContact CD2-CZ3 3.58Å; Y76-W285 HydrophobicContact CD2-CZ3 3.58Å; Y76-W285 AromaticContact CE2-CE3 3.58Å; Y76-W285 HydrophobicContact CE2-CE3 3.58Å; Y76-W285 AromaticContact CE2-CZ3 3.62Å; Y76-W285 HydrophobicContact CE2-CZ3 3.62Å; Y76-W285 HydrophobicContact CG-CZ3 4.07Å; E281-W285 PolarHBondContact O-N 3.44Å; D282-W285 PolarHBondContact O-N 2.87Å; W285-R287 PolarHBondContact O-N 3.14Å; W285-A288 PolarHBondContact O-N 3.4Å; W285-N289 HydrophobicContact CZ2-CB 4.4Å; W285-N289 WeakPolarHBondContact O-CB 3.39Å; W285-N289 PolarHBondContact O-N 2.86Å; W285-N289 PolarHBondContact O-OD1 3.44Å; W285-H290 AromaticContact CH2-CD2 3.89Å; W285-H290 AromaticContact CH2-NE2 3.64Å; W285-H290 AromaticContact CZ3-CD2 3.84Å
286	F	98.6	Very high	98	Very high	87 Å²	87	86.4 Å²	86.4	38%	0.382	48%	0.483	S	S	.	.	H	α-helix	trans	-62.2	-42.9	179.9	-170.3	-96.7	0	0	0	112.5	Y76 D282 L283 A288 N289 H290 G291	Y76-F286 HydrophobicContact CE1-CD2 4.29Å; Y76-F286 HydrophobicContact CE2-CB 4.43Å; Y76-F286 HydrophobicContact CE2-CD2 4.41Å; Y76-F286 AromaticContact CZ-CD2 3.68Å; Y76-F286 WeakPolarHBondContact OH-CD2 3.46Å; Y76-F286 WeakPolarHBondContact OH-CG 3.47Å; D282-F286 PolarHBondContact O-N 3.03Å; L283-F286 PolarHBondContact O-N 2.86Å; F286-A288 VanDerWaalsContact C-N 3.29Å; F286-A288 PolarHBondContact O-N 2.89Å; F286-N289 PolarHBondContact O-N 3.05Å; F286-H290 HydrophobicContact CD1-CB 4.43Å; F286-H290 HydrophobicContact CD2-CB 3.91Å; F286-H290 AromaticContact CD2-CD2 3.93Å; F286-H290 HydrophobicContact CE1-CB 4.17Å; F286-H290 HydrophobicContact CE2-CB 3.64Å; F286-H290 AromaticContact CE2-CG 4Å; F286-H290 HydrophobicContact CG-CB 4.33Å; F286-H290 HydrophobicContact CZ-CB 3.78Å; F286-H290 CarbonylContact O-C 3.54Å; F286-H290 WeakPolarHBondContact O-CA 3.29Å; F286-H290 PolarHBondContact O-N 3.25Å; F286-G291 PolarHBondContact O-N 3.02Å
287	R	98.3	Very high	97.9	Very high	154 Å²	154	90.4 Å²	90.4	58%	0.581	50%	0.495	S	S	*	.	H	α-helix	trans	-58.2	-41.8	176.6	-178	-177	-179.5	90.5	1	112	L283 R284 W285 G291 G293	L283-R287 WeakPolarHBondContact O-CB 3.35Å; L283-R287 PolarHBondContact O-N 3.07Å; R284-R287 PolarHBondContact O-N 2.9Å; W285-R287 PolarHBondContact O-N 3.14Å; R287-G291 CarbonylContact O-C 3.16Å; R287-G291 VanDerWaalsContact O-CA 3.26Å; R287-G291 WeakPolarHBondContact O-CA 3.36Å; R287-G291 PolarHBondContact O-N 3Å; R287-G293 WeakPolarHBondContact O-CA 3.49Å; R287-G293 PolarHBondContact O-N 3.42Å
288	A	98.4	Very high	97.7	Very high	51 Å²	51	97.8 Å²	97.8	42%	0.421	52%	0.515	S	S	.	.	H	α-helix	trans	-73.3	-39.4	-178.3	0	0	0	0	0	112.6	R284 W285 F286 G293 M294	R284-A288 WeakPolarHBondContact O-CB 3.44Å; R284-A288 PolarHBondContact O-N 3.4Å; W285-A288 PolarHBondContact O-N 3.4Å; F286-A288 VanDerWaalsContact C-N 3.29Å; F286-A288 PolarHBondContact O-N 2.89Å; A288-G293 CarbonylContact O-C 3.58Å; A288-M294 WeakPolarHBondContact O-CG 3.5Å; A288-M294 PolarHBondContact O-N 2.96Å
289	N	97.9	Very high	97.5	Very high	76 Å²	76	100.3 Å²	100.3	41%	0.406	54%	0.535	S	S	.	.	H	α-helix	trans	-96.6	-24.4	-170.7	-70.9	83.3	0	0	0	114.6	W285 F286 M294	W285-N289 HydrophobicContact CZ2-CB 4.4Å; W285-N289 WeakPolarHBondContact O-CB 3.39Å; W285-N289 PolarHBondContact O-N 2.86Å; W285-N289 PolarHBondContact O-OD1 3.44Å; F286-N289 PolarHBondContact O-N 3.05Å; N289-M294 WeakPolarHBondContact O-CE 3.35Å
290	H	97.1	Very high	97.2	Very high	112 Å²	112	105.3 Å²	105.3	52%	0.519	55%	0.547	S	S	.	.	H	α-helix	trans	-136.1	2	-174.3	-64.2	-70.7	0	0	0	113.7	W285 F286	W285-H290 AromaticContact CH2-CD2 3.89Å; W285-H290 AromaticContact CH2-NE2 3.64Å; W285-H290 AromaticContact CZ3-CD2 3.84Å; F286-H290 HydrophobicContact CD1-CB 4.43Å; F286-H290 HydrophobicContact CD2-CB 3.91Å; F286-H290 AromaticContact CD2-CD2 3.93Å; F286-H290 HydrophobicContact CE1-CB 4.17Å; F286-H290 HydrophobicContact CE2-CB 3.64Å; F286-H290 AromaticContact CE2-CG 4Å; F286-H290 HydrophobicContact CG-CB 4.33Å; F286-H290 HydrophobicContact CZ-CB 3.78Å; F286-H290 CarbonylContact O-C 3.54Å; F286-H290 WeakPolarHBondContact O-CA 3.29Å; F286-H290 PolarHBondContact O-N 3.25Å
291	G	96.2	Very high	96.7	Very high	21 Å²	21	110.4 Å²	110.4	22%	0.216	56%	0.563	C	S	.	*	S	Bend	trans	-128.3	-158.2	-174	0	0	0	0	0	114.2	F286 R287 G293 M294	F286-G291 PolarHBondContact O-N 3.02Å; R287-G291 CarbonylContact O-C 3.16Å; R287-G291 VanDerWaalsContact O-CA 3.26Å; R287-G291 WeakPolarHBondContact O-CA 3.36Å; R287-G291 PolarHBondContact O-N 3Å; G291-G293 PolarHBondContact O-N 3.1Å; G291-M294 WeakPolarHBondContact O-CG 3.15Å; G291-M294 PolarHBondContact O-N 2.98Å
292	P	98.2	Very high	96.2	Very high	107 Å²	107	113 Å²	113	70%	0.695	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.9	-9.9	-177.9	-26.8	35.3	0	0	0	116.1
293	G	97	Very high	95.5	Very high	48 Å²	48	119.9 Å²	119.9	50%	0.495	61%	0.607	S	S	.	*	T	Hydrogen-bonded Turn	trans	-83	-9.3	175.2	0	0	0	0	0	114.2	R287 A288 G291	R287-G293 WeakPolarHBondContact O-CA 3.49Å; R287-G293 PolarHBondContact O-N 3.42Å; A288-G293 CarbonylContact O-C 3.58Å; G291-G293 PolarHBondContact O-N 3.1Å
294	M	98.1	Very high	94.5	Very high	107 Å²	107	123.6 Å²	123.6	53%	0.527	61%	0.613	S	S	.	*	S	Bend	trans	-66.6	143.9	175.5	-65.9	179.3	79.8	0	0	111	A288 N289 G291 M296	A288-M294 WeakPolarHBondContact O-CG 3.5Å; A288-M294 PolarHBondContact O-N 2.96Å; N289-M294 WeakPolarHBondContact O-CE 3.35Å; G291-M294 WeakPolarHBondContact O-CG 3.15Å; G291-M294 PolarHBondContact O-N 2.98Å; M294-M296 PolarHBondContact O-N 3.18Å
295	A	96.1	Very high	93.4	Very high	104 Å²	104	117.9 Å²	117.9	86%	0.86	60%	0.599	S	S	*	*			trans	-63.3	133	173.5	0	0	0	0	0	110.6
296	M	96.3	Very high	91.9	Very high	106 Å²	106	116 Å²	116	52%	0.522	61%	0.609	S	S	.	*			trans	-122.5	124.1	174	179.1	56.1	-171.4	0	0	109.9	M294 W298	M294-M296 PolarHBondContact O-N 3.18Å; M296-W298 VanDerWaalsContact C-N 3.3Å; M296-W298 HydrophobicContact CB-CD2 4.34Å; M296-W298 HydrophobicContact CB-CZ2 4.08Å; M296-W298 HydrophobicContact CE-CE3 4.21Å; M296-W298 HydrophobicContact CE-CZ3 4.49Å; M296-W298 HydrophobicContact CG-CD2 3.56Å; M296-W298 HydrophobicContact CG-CE3 3.86Å; M296-W298 HydrophobicContact CG-CG 4.04Å; M296-W298 HydrophobicContact CG-CH2 4.07Å; M296-W298 HydrophobicContact CG-CZ2 3.78Å; M296-W298 HydrophobicContact CG-CZ3 4.11Å; M296-W298 PolarHBondContact O-N 3.26Å; M296-W298 VanDerWaalsContact O-N 3.1Å
297	N	95.4	Very high	90.2	Very high	152 Å²	152	118 Å²	118	81%	0.813	62%	0.623	S	S	*	*			trans	-83.1	82.1	169.6	-63.8	-29.2	0	0	0	107.9
298	W	94.1	Very high	88.2	Confident	194 Å²	194	113.7 Å²	113.7	74%	0.735	61%	0.611	S	S	*	*			trans	-57.4	144.5	177.9	-64.9	106.7	0	0	0	110.7	M296 Q300	M296-W298 VanDerWaalsContact C-N 3.3Å; M296-W298 HydrophobicContact CB-CD2 4.34Å; M296-W298 HydrophobicContact CB-CZ2 4.08Å; M296-W298 HydrophobicContact CE-CE3 4.21Å; M296-W298 HydrophobicContact CE-CZ3 4.49Å; M296-W298 HydrophobicContact CG-CD2 3.56Å; M296-W298 HydrophobicContact CG-CE3 3.86Å; M296-W298 HydrophobicContact CG-CG 4.04Å; M296-W298 HydrophobicContact CG-CH2 4.07Å; M296-W298 HydrophobicContact CG-CZ2 3.78Å; M296-W298 HydrophobicContact CG-CZ3 4.11Å; M296-W298 PolarHBondContact O-N 3.26Å; M296-W298 VanDerWaalsContact O-N 3.1Å; W298-Q300 PolarHBondContact O-N 3.29Å; W298-Q300 VanDerWaalsContact O-N 3.15Å
299	P	94.5	Very high	85.9	Confident	119 Å²	119	117.3 Å²	117.3	77%	0.773	62%	0.624	S	S	*	*			trans	-53.2	123.4	179.1	-27	35.1	0	0	0	111.4
300	Q	92.3	Very high	83.9	Confident	168 Å²	168	124.4 Å²	124.4	79%	0.785	64%	0.644	S	S	*	*			trans	-116.5	167.5	172.1	-67.1	-169.9	-15.3	0	0	108.9	W298 E302	W298-Q300 PolarHBondContact O-N 3.29Å; W298-Q300 VanDerWaalsContact O-N 3.15Å; Q300-E302 PolarHBondContact O-N 3.27Å
301	F	89.1	Confident	81.8	Confident	181 Å²	181	123.4 Å²	123.4	79%	0.794	65%	0.646	S	S	*	*			trans	-61	122.9	174.1	175.6	-100.8	0	0	0	109.9	E303	F301-E303 HydrophobicContact CD1-CG 4.42Å; F301-E303 HydrophobicContact CE1-CG 3.68Å; F301-E303 HydrophobicContact CZ-CG 4.48Å
302	E	89.1	Confident	79.7	Confident	158 Å²	158	129 Å²	129	74%	0.738	67%	0.671	S	S	*	*			trans	-104.5	124.6	174.4	-66.2	-178.8	177.2	0	0	108.8	Q300 W304	Q300-E302 PolarHBondContact O-N 3.27Å; E302-W304 PolarHBondContact O-N 3.17Å
303	E	83.9	Confident	77.2	Confident	160 Å²	160	129.3 Å²	129.3	75%	0.748	68%	0.675	S	S	*	*			trans	-68	124.8	175.7	-78.3	-176.2	170.9	0	0	110.4	F301 S305	F301-E303 HydrophobicContact CD1-CG 4.42Å; F301-E303 HydrophobicContact CE1-CG 3.68Å; F301-E303 HydrophobicContact CZ-CG 4.48Å; E303-S305 PolarHBondContact O-N 3.22Å
304	W	77.6	Confident	75	Confident	203 Å²	203	137 Å²	137	77%	0.769	69%	0.69	S	S	*	*			trans	-69.6	119.5	174.6	-177.7	85.1	0	0	0	110	E302	E302-W304 PolarHBondContact O-N 3.17Å
305	S	75.3	Confident	72.4	Confident	51 Å²	51	143.3 Å²	143.3	36%	0.357	71%	0.707	S	S	.	*			trans	-122.7	145.3	172.3	76.2	0	0	0	0	110.7	E303 D307 L308	E303-S305 PolarHBondContact O-N 3.22Å; S305-D307 PolarHBondContact O-N 3.13Å; S305-D307 VanDerWaalsContact O-N 3.13Å; S305-L308 WeakPolarHBondContact O-CB 3.18Å; S305-L308 PolarHBondContact O-N 2.81Å; S305-L308 VanDerWaalsContact O-N 3.07Å
306	A	65.8	Low	70.1	Confident	78 Å²	78	146.5 Å²	146.5	65%	0.645	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.4	-20	-179.9	0	0	0	0	0	113.1
307	D	62.8	Low	67.6	Low	127 Å²	127	151.3 Å²	151.3	68%	0.679	72%	0.722	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.1	-14	177.4	-70	-41.2	0	0	0	113.7	S305 N309 R310	S305-D307 PolarHBondContact O-N 3.13Å; S305-D307 VanDerWaalsContact O-N 3.13Å; D307-N309 VanDerWaalsContact C-N 3.31Å; D307-N309 PolarHBondContact O-N 3.36Å; D307-R310 PolarHBondContact O-N 3.46Å
308	L	56.4	Low	64.9	Low	65 Å²	65	154 Å²	154	34%	0.34	73%	0.727	S	S	.	*	H	α-helix	trans	-71.3	-22.1	-174.6	-149.7	74.4	0	0	0	113.8	S305 R310 T311	S305-L308 WeakPolarHBondContact O-CB 3.18Å; S305-L308 PolarHBondContact O-N 2.81Å; S305-L308 VanDerWaalsContact O-N 3.07Å; L308-R310 PolarHBondContact O-N 2.8Å; L308-T311 PolarHBondContact O-N 3.39Å; L308-T311 PolarHBondContact O-OG1 3.12Å
309	N	51.9	Low	62.2	Low	127 Å²	127	153.6 Å²	153.6	68%	0.679	73%	0.73	S	S	*	*	H	α-helix	trans	-68.3	-14.9	175.5	-81.7	-17.3	0	0	0	113.4	D307	D307-N309 VanDerWaalsContact C-N 3.31Å; D307-N309 PolarHBondContact O-N 3.36Å
310	R	54.7	Low	59.7	Low	224 Å²	224	152.9 Å²	152.9	85%	0.845	74%	0.735	S	S	*	*	H	α-helix	trans	-87.5	-27.2	176.1	-95.1	179.4	166.8	-179.2	-3.1	113.5	D307 L308	D307-R310 PolarHBondContact O-N 3.46Å; L308-R310 PolarHBondContact O-N 2.8Å
311	T	52.6	Low	57	Low	91 Å²	91	150.6 Å²	150.6	56%	0.558	73%	0.732	S	S	*	*	H	α-helix	trans	-90.7	-24.2	-171.2	10.4	0	0	0	0	113.9	L308 S313 R314	L308-T311 PolarHBondContact O-N 3.39Å; L308-T311 PolarHBondContact O-OG1 3.12Å; T311-S313 PolarHBondContact O-N 2.91Å; T311-R314 PolarHBondContact O-N 2.86Å; T311-R314 VanDerWaalsContact O-N 3.09Å
312	L	52	Low	54.5	Low	139 Å²	139	150.1 Å²	150.1	73%	0.728	74%	0.738	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.6	-18.8	178.3	-71.3	169.7	0	0	0	114.1
313	S	47.2	Very low	51.9	Low	113 Å²	113	145.7 Å²	145.7	79%	0.79	74%	0.735	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.3	-6.5	174.5	-73.8	0	0	0	0	114.3	T311	T311-S313 PolarHBondContact O-N 2.91Å
314	R	49.7	Very low	49.5	Very low	211 Å²	211	144.1 Å²	144.1	80%	0.796	74%	0.736	S	S	*	*			trans	-116.2	68.1	179.4	-113.3	-175.2	-178.8	-175.5	0.1	110.5	T311 E316	T311-R314 PolarHBondContact O-N 2.86Å; T311-R314 VanDerWaalsContact O-N 3.09Å; R314-E316 VanDerWaalsContact C-N 3.33Å; R314-E316 PolarHBondContact O-N 3.38Å
315	R	44.8	Very low	47.4	Very low	238 Å²	238	141.1 Å²	141.1	90%	0.898	74%	0.74	S	S	*	*			trans	-69.4	94.2	162.4	-162.5	174.7	-172.9	168.4	2	107.7	K317	R315-K317 PolarHBondContact O-N 2.97Å; R315-K317 VanDerWaalsContact O-N 3.1Å
316	E	46.4	Very low	45.3	Very low	172 Å²	172	146.2 Å²	146.2	80%	0.804	76%	0.763	S	S	*	*			trans	-60.4	112.9	171.5	-79.4	-174	149.8	0	0	109.2	R314 K318	R314-E316 VanDerWaalsContact C-N 3.33Å; R314-E316 PolarHBondContact O-N 3.38Å; E316-K318 PolarHBondContact O-N 3.41Å; E316-K318 VanDerWaalsContact O-N 3.09Å
317	K	43.2	Very low	43.7	Very low	206 Å²	206	149.2 Å²	149.2	90%	0.896	77%	0.773	S	S	*	*			trans	-66.5	102.4	166.5	-83.1	179.1	173.3	176.2	0	108	R315 K319	R315-K317 PolarHBondContact O-N 2.97Å; R315-K317 VanDerWaalsContact O-N 3.1Å; K317-K319 PolarHBondContact O-N 3.4Å; K317-K319 VanDerWaalsContact O-N 3.17Å
318	K	39.9	Very low	42.1	Very low	209 Å²	209	146.1 Å²	146.1	91%	0.909	77%	0.771	S	S	*	*			trans	-67.1	110.5	160.5	-93.4	-177.8	174.2	177.9	0	108.5	E316	E316-K318 PolarHBondContact O-N 3.41Å; E316-K318 VanDerWaalsContact O-N 3.09Å
319	K	37.5	Very low	41	Very low	186 Å²	186	150.1 Å²	150.1	81%	0.809	79%	0.791	S	S	*	*			trans	-76.7	125.4	169.1	-152.4	179.2	-175.4	-173.5	0	106.9	K317 T321	K317-K319 PolarHBondContact O-N 3.4Å; K317-K319 VanDerWaalsContact O-N 3.17Å; K319-T321 PolarHBondContact O-N 3.31Å
320	A	42.2	Very low	40	Very low	104 Å²	104	152 Å²	152	86%	0.86	80%	0.802	S	S	*	*			trans	-69.2	121.2	168	0	0	0	0	0	107.9
321	T	34.4	Very low	38.8	Very low	119 Å²	119	149.3 Å²	149.3	73%	0.73	80%	0.798	S	S	*	*			trans	-120.1	119.5	170.5	46.2	0	0	0	0	108.3	K319	K319-T321 PolarHBondContact O-N 3.31Å
322	D	37.8	Very low	37.8	Very low	171 Å²	171	151.4 Å²	151.4	91%	0.914	81%	0.811	S	S	*	*			trans	-49.8	144.6	154.3	-86.4	-36.6	0	0	0	110.6
323	G	33.8	Very low	36.7	Very low	66 Å²	66	148.4 Å²	148.4	68%	0.68	81%	0.814	S	S	*	*			trans	118.2	103.5	154.8	0	0	0	0	0	116.9
324	V	33.5	Very low	35.8	Very low	127 Å²	127	149.8 Å²	149.8	77%	0.77	81%	0.813	S	S	*	*			trans	55.3	108.4	134.4	-170.6	0	0	0	0	118.5	L326	V324-L326 HydrophobicContact CG1-CD1 4.32Å; V324-L326 PolarHBondContact O-N 2.92Å
325	T	32.4	Very low	35	Very low	140 Å²	140	147.6 Å²	147.6	86%	0.859	81%	0.811	S	S	*	*			trans	-78.8	105.2	161.6	23.4	0	0	0	0	111.3
326	L	31.5	Very low	34.3	Very low	158 Å²	158	142.1 Å²	142.1	83%	0.827	81%	0.81	S	S	*	*			trans	-116.8	100.7	160.5	-102.4	158.7	0	0	0	108	V324 G328	V324-L326 HydrophobicContact CG1-CD1 4.32Å; V324-L326 PolarHBondContact O-N 2.92Å; L326-G328 PolarHBondContact O-N 3.49Å
327	T	33.2	Very low	33.4	Very low	140 Å²	140	141.7 Å²	141.7	86%	0.859	81%	0.812	S	S	*	*			trans	-87.1	106.9	171	45.6	0	0	0	0	109.8
328	G	29.3	Very low	33.5	Very low	63 Å²	63	136.7 Å²	136.7	65%	0.649	80%	0.801	S	S	*	*			trans	-109	118.3	164.9	0	0	0	0	0	111.8	L326	L326-G328 PolarHBondContact O-N 3.49Å
329	I	33.3	Very low	32.9	Very low	148 Å²	148	134 Å²	134	76%	0.759	80%	0.796	S	S	*	*			trans	70.7	124.6	138	-52.6	167	0	0	0	119.2	Q331	I329-Q331 HydrophobicContact CG2-CG 4.48Å
330	N	30.3	Very low	32.5	Very low	167 Å²	167	134.1 Å²	134.1	89%	0.893	80%	0.797	S	S	*	*			trans	-116.4	131.1	142.5	-88	-25.3	0	0	0	110
331	Q	29.3	Very low	32.4	Very low	167 Å²	167	134.8 Å²	134.8	78%	0.78	79%	0.792	S	S	*	*			trans	-67.2	154.1	166.2	-63.2	169.7	-1.9	0	0	109.2	I329	I329-Q331 HydrophobicContact CG2-CG 4.48Å
332	T	31.1	Very low	32.1	Very low	135 Å²	135	133.9 Å²	133.9	83%	0.828	79%	0.791	S	S	*	*				-170.4	155.7	60.3	39.7	0	0	0	0	111
333	G	29.2	Very low	31.7	Very low	76 Å²	76	130.8 Å²	130.8	78%	0.784	78%	0.782	S	S	*	*			trans	116.5	88.3	140.2	0	0	0	0	0	120
334	D	29.6	Very low	31.3	Very low	142 Å²	142	133.2 Å²	133.2	76%	0.759	78%	0.784	S	S	*	*			trans	67.2	119.5	138	-113.7	-13.8	0	0	0	124.3
335	Q	32.5	Very low	31	Very low	165 Å²	165	134 Å²	134	77%	0.771	78%	0.784	S	S	*	*			trans	39	113.5	143.7	-72.8	173.2	59.6	0	0	122
336	S	29.6	Very low	30.8	Very low	123 Å²	123	134.3 Å²	134.3	86%	0.86	78%	0.78	S	S	*	*				155.9	134.4	110.5	52.7	0	0	0	0	112.7
337	L	28.8	Very low	30.7	Very low	164 Å²	164	133.1 Å²	133.1	86%	0.859	78%	0.779	S	S	*	*			trans	-69.5	170.1	163.6	-74.6	160.5	0	0	0	110
338	P	43.8	Very low	31	Very low	101 Å²	101	131.7 Å²	131.7	66%	0.656	77%	0.772	S	S	*	*			cis	-143.2	-171.4	13.3	34.8	-11	0	0	0	116.2
339	N	28.7	Very low	31	Very low	153 Å²	153	133.5 Å²	133.5	82%	0.818	78%	0.775	S	S	*	*			trans	100.3	115.3	146.8	-75.6	-11.5	0	0	0	121.7
340	K	29.3	Very low	31.1	Very low	187 Å²	187	133.9 Å²	133.9	81%	0.813	78%	0.778	S	S	*	*			trans	-46.2	162.3	144.9	-97.7	-177.1	-177.6	-179.9	0	111.9
341	P	39.5	Very low	31.7	Very low	119 Å²	119	131.7 Å²	131.7	77%	0.773	77%	0.773	S	S	*	*			cis	-150.3	174.7	49.1	38.6	-15.6	0	0	0	119.4
342	S	27.8	Very low	31.6	Very low	100 Å²	100	127.6 Å²	127.6	70%	0.699	77%	0.768	S	S	*	*			trans	-31.2	150.6	165.4	-46.7	0	0	0	0	119.4
343	S	28.7	Very low	31.6	Very low	105 Å²	105	130.4 Å²	130.4	73%	0.734	77%	0.772	S	S	*	*				178.8	107.2	127.4	32.1	0	0	0	0	109
344	T	25.7	Very low	31.7	Very low	117 Å²	117	132.8 Å²	132.8	72%	0.718	78%	0.776	S	S	*	*				60.5	116.5	93.7	51.7	0	0	0	0	116.5
345	L	26.7	Very low	31.7	Very low	145 Å²	145	130.3 Å²	130.3	76%	0.759	78%	0.776	S	S	*	*			trans	69.9	112.4	130.6	-67	169.5	0	0	0	118.6
346	N	28.1	Very low	31.6	Very low	146 Å²	146	131.1 Å²	131.1	78%	0.781	78%	0.779	S	S	*	*				166.9	132.5	96.6	-93.7	-20.2	0	0	0	112.5
347	V	30.6	Very low	31.6	Very low	132 Å²	132	129.7 Å²	129.7	80%	0.8	77%	0.769	S	S	*	*			trans	-75.9	143	153.3	175.2	0	0	0	0	105.9
348	P	38.6	Very low	31.7	Very low	110 Å²	110	130.4 Å²	130.4	71%	0.714	77%	0.768	S	S	*	*				-153.9	151.3	94.6	41.2	-20.7	0	0	0	118.1
349	S	29.4	Very low	30.9	Very low	101 Å²	101	130.8 Å²	130.8	71%	0.706	77%	0.774	S	S	*	*			trans	61.4	120.3	134.6	60.3	0	0	0	0	122
350	N	35.4	Very low	31	Very low	156 Å²	156	127.9 Å²	127.9	83%	0.834	77%	0.765	S	S	*	*			trans	-36.9	154.5	148.9	-104.5	-5	0	0	0	114.7
351	P	42.3	Very low	31.1	Very low	122 Å²	122	128.7 Å²	128.7	79%	0.792	77%	0.765	S	S	*	*				-145.6	145.3	98.4	34.1	-16.1	0	0	0	116.7
352	A	29	Very low	31.1	Very low	80 Å²	80	130.5 Å²	130.5	66%	0.661	77%	0.768	S	S	*	*			trans	40.6	126.6	135.4	0	0	0	0	0	123.1
353	Q	30.6	Very low	32	Very low	195 Å²	195	130.8 Å²	130.8	91%	0.911	77%	0.767	S	S	*	*			trans	73.2	118.8	130.9	-71.7	178.1	-10.2	0	0	121
354	S	30.6	Very low	32.1	Very low	125 Å²	125	135.1 Å²	135.1	87%	0.874	77%	0.773	S	S	*	*				-158.4	130.2	129.6	52.2	0	0	0	0	111.2
355	A	29.2	Very low	32.6	Very low	91 Å²	91	137.2 Å²	137.2	75%	0.752	78%	0.775	S	S	*	*			trans	-75.3	158.6	179.1	0	0	0	0	0	113.4
356	Q	30.1	Very low	33.1	Very low	181 Å²	181	137.8 Å²	137.8	85%	0.846	78%	0.778	S	S	*	*				176.1	114.5	118.2	-100.1	173.6	-14.5	0	0	113.4
357	S	29.9	Very low	33.6	Very low	94 Å²	94	139 Å²	139	66%	0.657	78%	0.78	S	S	*	*				44.1	126.2	129.4	52	0	0	0	0	122.1
358	Q	30.7	Very low	33.8	Very low	178 Å²	178	140.1 Å²	140.1	83%	0.832	78%	0.781	S	S	*	*				-178.6	131.3	100.8	-97.2	176.2	7	0	0	113.6
359	S	28.9	Very low	33.6	Very low	110 Å²	110	141.1 Å²	141.1	77%	0.769	78%	0.78	S	S	*	*			trans	36.2	145.4	137.5	75.7	0	0	0	0	120.8
360	S	29.7	Very low	33.8	Very low	92 Å²	92	142.2 Å²	142.2	64%	0.643	78%	0.783	S	S	*	*			cis	176.8	161.8	-0.8	-176.4	0	0	0	0	105.9
361	Y	31.8	Very low	33.5	Very low	204 Å²	204	138.3 Å²	138.3	80%	0.8	78%	0.779	S	S	*	*			trans	87.5	95.7	163.3	-71.1	-79.8	0	0	0	119.7
362	N	39.9	Very low	32.9	Very low	156 Å²	156	137.5 Å²	137.5	83%	0.834	78%	0.777	S	S	*	*			trans	-75.4	152.5	133.4	-79.5	-13	0	0	0	109.6
363	P	46.8	Very low	32.9	Very low	106 Å²	106	139.3 Å²	139.3	69%	0.688	78%	0.78	S	S	*	*				-148.5	113	125.8	29.9	-10.3	0	0	0	113.5
364	F	30.8	Very low	32.9	Very low	196 Å²	196	136.2 Å²	136.2	86%	0.86	77%	0.774	S	S	*	*				-178.2	110.9	109	-114.8	-89.4	0	0	0	108.5
365	E	35.3	Very low	32.9	Very low	162 Å²	162	134.6 Å²	134.6	76%	0.757	76%	0.762	S	S	*	*			trans	-75.4	152.6	159.2	-68.2	166.6	157	0	0	108.1
366	D	36.7	Very low	33	Very low	156 Å²	156	138 Å²	138	83%	0.834	76%	0.763	S	S	*	*				-157.7	116.9	116.8	-87.7	-27.8	0	0	0	108.2
367	E	39.8	Very low	33	Very low	172 Å²	172	138.8 Å²	138.8	80%	0.804	76%	0.763	S	S	*	*			trans	-77.1	160.4	166.7	-62.8	-172.2	139.7	0	0	110.2
368	D	34.4	Very low	33.1	Very low	155 Å²	155	142.4 Å²	142.4	83%	0.829	77%	0.77	S	S	*	*				-174.4	108	129.5	-88.8	-23.7	0	0	0	106
369	D	33.6	Very low	33	Very low	131 Å²	131	141.9 Å²	141.9	70%	0.701	77%	0.773	S	S	*	*				80.1	111.3	77.9	-167.4	29.2	0	0	0	113
370	T	34.7	Very low	32.9	Very low	124 Å²	124	142.3 Å²	142.3	76%	0.761	77%	0.771	S	S	*	*				158.8	117.3	119	44.4	0	0	0	0	110.3
371	G	28.5	Very low	32.8	Very low	74 Å²	74	147.1 Å²	147.1	76%	0.763	78%	0.781	S	S	*	*			trans	-89.6	161.3	166.9	0	0	0	0	0	112.5
372	S	30.7	Very low	32.7	Very low	105 Å²	105	141.9 Å²	141.9	73%	0.734	78%	0.779	S	S	*	*			trans	-176.7	112.5	142.2	-126.4	0	0	0	0	110
373	T	28.8	Very low	32.1	Very low	118 Å²	118	143.5 Å²	143.5	72%	0.724	78%	0.779	S	S	*	*				61.7	114.6	101.9	64.4	0	0	0	0	115.6
374	V	30.3	Very low	31.2	Very low	130 Å²	130	145.6 Å²	145.6	79%	0.788	78%	0.784	S	S	*	*				118.2	124.4	73.2	156.4	0	0	0	0	110.7
375	S	30.6	Very low	31	Very low	91 Å²	91	142.3 Å²	142.3	64%	0.636	78%	0.78	S	S	*	*			trans	68.3	130.3	141.6	-64.8	0	0	0	0	126.6
376	E	31.8	Very low	30.5	Very low	164 Å²	164	138.5 Å²	138.5	77%	0.766	77%	0.771	S	S	*	*				71.6	125.8	129.9	-67.6	174.5	-169.5	0	0	121.7
377	K	30.1	Very low	30.1	Very low	196 Å²	196	134.9 Å²	134.9	85%	0.852	76%	0.758	S	S	*	*				179.2	144.2	92.3	-92.4	-173.4	-179.7	173.4	0	113.9
378	E	30.7	Very low	29.4	Very low	170 Å²	170	136.3 Å²	136.3	79%	0.794	76%	0.758	S	S	*	*			trans	-61.8	159.7	162.9	-64.5	172.1	125.5	0	0	112.5
379	D	28.1	Very low	29.1	Very low	168 Å²	168	137.9 Å²	137.9	90%	0.898	76%	0.76	S	S	*	*			trans	-149.2	132	135.9	-112.3	-32.4	0	0	0	112
380	T	28	Very low	28.7	Very low	118 Å²	118	141.2 Å²	141.2	72%	0.724	77%	0.768	S	S	*	*			trans	-99.3	147.2	178	41.7	0	0	0	0	109.7
381	K	27.4	Very low	28.2	Very low	194 Å²	194	140.7 Å²	140.7	84%	0.843	77%	0.765	S	S	*	*			trans	-159.1	113.7	148.3	-135.3	170.3	-172	165.8	0	114
382	A	29.6	Very low	28.2	Very low	93 Å²	93	146.1 Å²	146.1	77%	0.769	77%	0.771	S	S	*	*			trans	-88.6	150.7	158.8	0	0	0	0	0	110.6
383	K	28.2	Very low	27.9	Very low	190 Å²	190	145.6 Å²	145.6	83%	0.826	77%	0.767	S	S	*	*			trans	-155.2	108.6	150.8	-92.4	-166	-177.1	-179.1	0	112.4
384	N	27.4	Very low	27.8	Very low	150 Å²	150	150.6 Å²	150.6	80%	0.802	77%	0.774	S	S	*	*			trans	24.8	126.4	133.9	-80.6	-15.9	0	0	0	124.7
385	V	25.7	Very low	28.3	Very low	127 Å²	127	149.9 Å²	149.9	77%	0.77	77%	0.772	S	S	*	*				73.2	117.6	115.1	-178.1	0	0	0	0	121.5
386	S	25.1	Very low	28.3	Very low	83 Å²	83	151.9 Å²	151.9	58%	0.58	78%	0.781	S	S	*	*				136.6	134.3	121.7	-164.6	0	0	0	0	115.9	Y388	S386-Y388 PolarHBondContact OG-OH 3.02Å
387	S	27.7	Very low	28.1	Very low	80 Å²	80	150.6 Å²	150.6	56%	0.559	78%	0.779	S	S	*	*			trans	-42.2	159.7	157.3	45.5	0	0	0	0	113.7
388	Y	27.1	Very low	27.9	Very low	201 Å²	201	153.6 Å²	153.6	79%	0.788	79%	0.785	S	S	*	*				-161.2	170.9	52.5	-28.2	-92.6	0	0	0	112.5	S386	S386-Y388 PolarHBondContact OG-OH 3.02Å
389	E	26.3	Very low	27.8	Very low	188 Å²	188	150.7 Å²	150.7	88%	0.879	78%	0.783	S	S	*	*			trans	-47.6	151.9	-174	-58.4	163.7	125.7	0	0	120
390	K	26.3	Very low	27.9	Very low	202 Å²	202	149.9 Å²	149.9	88%	0.878	78%	0.779	S	S	*	*				-158.2	142.9	120	-154.7	163.1	-177.9	176.8	0	113.6
391	T	25	Very low	28.1	Very low	113 Å²	113	151.4 Å²	151.4	69%	0.693	78%	0.783	S	S	*	*			trans	-63	151.3	-173.7	41.8	0	0	0	0	119.1
392	Q	26.5	Very low	28.4	Very low	188 Å²	188	150.3 Å²	150.3	88%	0.879	78%	0.781	S	S	*	*			trans	159.6	139.5	133.3	-91	174	3.3	0	0	108.9
393	S	24.9	Very low	28.6	Very low	93 Å²	93	151.2 Å²	151.2	65%	0.65	78%	0.782	S	S	*	*			cis	178.4	118.2	-13.8	41.9	0	0	0	0	106.6
394	Y	28.3	Very low	28.7	Very low	224 Å²	224	150.1 Å²	150.1	88%	0.878	78%	0.784	S	S	*	*			trans	36	162.9	152.2	-71.3	-79.8	0	0	0	123.5
395	P	38.9	Very low	29.1	Very low	114 Å²	114	150.1 Å²	150.1	74%	0.74	78%	0.784	S	S	*	*			cis	-130.7	164.7	-17.8	30.7	-10.1	0	0	0	115
396	T	30.9	Very low	29.7	Very low	134 Å²	134	149.5 Å²	149.5	82%	0.822	78%	0.783	S	S	*	*			trans	-69.1	140.2	163.3	-28.7	0	0	0	0	111.6
397	D	27.7	Very low	29.7	Very low	137 Å²	137	154.8 Å²	154.8	73%	0.733	80%	0.796	S	S	*	*				-173.2	131.4	126.1	-140.9	-0.2	0	0	0	110.8
398	W	26.4	Very low	29.8	Very low	259 Å²	259	155.3 Å²	155.3	98%	0.981	80%	0.8	S	S	*	*			trans	-138.5	112.7	160.9	-80	103.2	0	0	0	107.3
399	S	27.5	Very low	29.9	Very low	108 Å²	108	150.2 Å²	150.2	76%	0.755	79%	0.793	S	S	*	*			trans	-113.4	150.2	169.7	177.5	0	0	0	0	108.7
400	D	31.5	Very low	30.1	Very low	152 Å²	152	146.7 Å²	146.7	81%	0.813	79%	0.785	S	S	*	*			trans	-56.8	158.9	-172.6	-79.2	-38.6	0	0	0	117.9
401	D	31.9	Very low	30.3	Very low	150 Å²	150	144 Å²	144	80%	0.802	78%	0.78	S	S	*	*				118.4	143.5	124.7	-134.1	-1.1	0	0	0	118.9
402	E	34.5	Very low	30.6	Very low	171 Å²	171	142.6 Å²	142.6	80%	0.799	78%	0.78	S	S	*	*			trans	-56.9	152.5	-165.1	-63.7	-160	127.1	0	0	117.4
403	S	32.6	Very low	31	Very low	112 Å²	112	141.6 Å²	141.6	78%	0.783	78%	0.781	S	S	*	*				166.6	136.1	114.6	47.3	0	0	0	0	114.2
404	N	30.2	Very low	31.4	Very low	166 Å²	166	141 Å²	141	89%	0.888	79%	0.789	S	S	*	*			trans	59.2	106.3	152.2	-88.7	-13.1	0	0	0	122
405	N	36.5	Very low	31.6	Very low	150 Å²	150	138.3 Å²	138.3	80%	0.802	79%	0.79	S	S	*	*			trans	-57.4	149.6	155.7	-138.8	-4.8	0	0	0	111.4
406	P	38.7	Very low	31.5	Very low	114 Å²	114	138.2 Å²	138.2	74%	0.74	79%	0.792	S	S	*	*				-162.8	137.6	83.9	37.7	-15.7	0	0	0	117.2
407	F	24.7	Very low	31.7	Very low	194 Å²	194	139 Å²	139	85%	0.851	79%	0.791	S	S	*	*				168.5	112.4	122.6	-135.7	-103.9	0	0	0	112.5
408	S	30.5	Very low	32.1	Very low	92 Å²	92	137.9 Å²	137.9	64%	0.643	79%	0.791	S	S	*	*			trans	49.5	121.3	135.2	-139.5	0	0	0	0	123.7
409	S	29.1	Very low	32.5	Very low	93 Å²	93	134.2 Å²	134.2	65%	0.65	78%	0.782	S	S	*	*				101.1	125.7	119.3	60.1	0	0	0	0	121.7
410	T	29.4	Very low	33	Very low	115 Å²	115	136.8 Å²	136.8	71%	0.706	79%	0.788	S	S	*	*			trans	89.1	113.9	136.3	43.1	0	0	0	0	120.7
411	D	31.3	Very low	33.1	Very low	145 Å²	145	137.1 Å²	137.1	78%	0.775	79%	0.79	S	S	*	*			trans	99.2	106.8	130.7	-59.3	-16.7	0	0	0	120.7
412	A	31	Very low	33.3	Very low	84 Å²	84	137.5 Å²	137.5	69%	0.694	79%	0.791	S	S	*	*				67.7	112.9	121.2	0	0	0	0	0	120.3
413	N	34	Very low	33.3	Very low	167 Å²	167	133.4 Å²	133.4	89%	0.893	79%	0.787	S	S	*	*			trans	140.9	109.6	143.4	-72.5	-17.6	0	0	0	106.9
414	G	33.2	Very low	33.5	Very low	79 Å²	79	134.2 Å²	134.2	81%	0.814	79%	0.788	S	S	*	*			cis	100.9	66	45.9	0	0	0	0	0	108.6
415	D	33.8	Very low	34	Very low	169 Å²	169	132.5 Å²	132.5	90%	0.904	79%	0.788	S	S	*	*			trans	-158.6	111.8	155.8	-140.5	1.3	0	0	0	109.7
416	S	35.7	Very low	34.2	Very low	112 Å²	112	128.1 Å²	128.1	78%	0.783	78%	0.779	S	S	*	*			trans	-90.2	127.9	-176	16.5	0	0	0	0	110.6
417	N	34.8	Very low	34.7	Very low	151 Å²	151	128.7 Å²	128.7	81%	0.807	78%	0.781	S	S	*	*			trans	-76.4	127.9	170.9	-139	7.2	0	0	0	108.9	F419	N417-F419 VanDerWaalsContact C-N 3.34Å; N417-F419 PolarHBondContact O-N 3.43Å; N417-F419 VanDerWaalsContact O-N 3.16Å
418	P	37.5	Very low	36.8	Very low	112 Å²	112	126.5 Å²	126.5	73%	0.727	77%	0.773	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.2	40	-166.6	36.4	-36.1	0	0	0	114.2
419	F	34.1	Very low	39.5	Very low	182 Å²	182	124.9 Å²	124.9	80%	0.798	76%	0.759	S	S	*	*	T	Hydrogen-bonded Turn	trans	-134.8	15	-176.1	-88.6	-76.4	0	0	0	116.6	N417	N417-F419 VanDerWaalsContact C-N 3.34Å; N417-F419 PolarHBondContact O-N 3.43Å; N417-F419 VanDerWaalsContact O-N 3.16Å
420	D	37.3	Very low	42.5	Very low	162 Å²	162	124.3 Å²	124.3	87%	0.866	74%	0.743	S	S	*	*			trans	-118.5	80	168.1	-78.3	-37.9	0	0	0	109.8
421	D	34.1	Very low	45.6	Very low	160 Å²	160	119.1 Å²	119.1	86%	0.856	71%	0.711	S	S	*	*			trans	-123.3	85.6	166.2	-110.7	-18.9	0	0	0	107.9
422	D	36.9	Very low	48.6	Very low	157 Å²	157	116.7 Å²	116.7	84%	0.84	69%	0.691	S	S	*	*			trans	-138.2	63.5	144.1	-153.4	13.6	0	0	0	108.5
423	A	34.8	Very low	51.7	Low	86 Å²	86	112.8 Å²	112.8	71%	0.711	66%	0.659	S	S	*	*			trans	-102	91.4	161.9	0	0	0	0	0	107.3	S425	A423-S425 PolarHBondContact O-N 3.48Å
424	T	35.2	Very low	54.6	Low	129 Å²	129	108 Å²	108	79%	0.791	63%	0.633	S	S	*	*			trans	-54.1	113.8	159.6	22.4	0	0	0	0	108.2	G426	T424-G426 PolarHBondContact O-N 2.62Å
425	S	42.2	Very low	57.4	Low	129 Å²	129	110.7 Å²	110.7	90%	0.902	62%	0.619	S	S	*	*			trans	-62.1	82.3	167.9	56.6	0	0	0	0	109.5	A423	A423-S425 PolarHBondContact O-N 3.48Å
426	G	40.8	Very low	60.3	Low	59 Å²	59	107 Å²	107	61%	0.608	60%	0.599	S	S	*	*			trans	-103.9	121.6	168.2	0	0	0	0	0	108.9	T424 E428	T424-G426 PolarHBondContact O-N 2.62Å; G426-E428 PolarHBondContact O-N 3.41Å
427	T	48.8	Very low	63.2	Low	126 Å²	126	103 Å²	103	77%	0.773	57%	0.568	S	S	*	*			trans	-37.2	122.1	168.2	-38.5	0	0	0	0	110.6	V429	T427-V429 WeakPolarHBondContact O-CG2 3.2Å; T427-V429 PolarHBondContact O-N 2.71Å
428	E	68.1	Low	66.1	Low	148 Å²	148	103.6 Å²	103.6	69%	0.692	57%	0.565	S	S	*	*			trans	-62	97.8	173.3	-81.7	-173.3	150.5	0	0	109	G426 T454	G426-E428 PolarHBondContact O-N 3.41Å; E428-T454 HydrophobicContact CB-CG2 4.28Å; E428-T454 HydrophobicContact CG-CG2 4.14Å
429	V	87.1	Confident	68.7	Low	58 Å²	58	99.3 Å²	99.3	35%	0.352	54%	0.541	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	109.8	176	-179.8	0	0	0	0	107.9	T427 V431 K455 A484	T427-V429 WeakPolarHBondContact O-CG2 3.2Å; T427-V429 PolarHBondContact O-N 2.71Å; V429-V431 HydrophobicContact CG1-CG1 4.08Å; V429-K455 HydrophobicContact CB-CB 4.44Å; V429-K455 WeakPolarHBondContact O-CB 3.4Å; V429-K455 PolarHBondContact O-N 2.95Å; V429-A484 HydrophobicContact CG1-CB 4.27Å
430	R	92.9	Very high	71.4	Confident	81 Å²	81	98.7 Å²	98.7	31%	0.306	54%	0.541	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	133.5	169.4	-72.9	-82.6	-79.9	176.9	-9.2	108.7	E452 D470 I485	R430-E452 IonicContact CZ-OE2 3.62Å; R430-E452 IonicContact NE-OE2 3.81Å; R430-E452 IonicContact NH2-OE2 3.71Å; R430-E452 PolarHBondContact NH2-OE2 3.46Å; R430-D470 IonicContact CZ-OD1 3.75Å; R430-D470 IonicContact NH1-OD1 3.19Å; R430-D470 PolarHBondContact NH1-OD1 3.17Å; R430-D470 IonicContact NH1-OD2 3.12Å; R430-D470 IonicContact NH2-OD2 2.79Å; R430-I485 HydrophobicContact CB-CB 4.24Å; R430-I485 HydrophobicContact CB-CD1 4.21Å; R430-I485 PolarHBondContact O-N 3.24Å
431	V	94.1	Very high	73.9	Confident	6 Å²	6	96.9 Å²	96.9	4%	0.036	53%	0.527	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	150.1	176.2	-53.7	0	0	0	0	109.5	V429 E452 L453 K455 V482 E483	V429-V431 HydrophobicContact CG1-CG1 4.08Å; V431-E452 CarbonylContact O-C 3.42Å; V431-E452 WeakPolarHBondContact O-CA 3.17Å; V431-L453 HydrophobicContact CG2-CD1 3.13Å; V431-L453 HydrophobicContact CG2-CG 3.6Å; V431-L453 PolarHBondContact N-O 3.31Å; V431-L453 PolarHBondContact O-N 3.34Å; V431-K455 HydrophobicContact CG1-CB 4.22Å; V431-V482 HydrophobicContact CB-CB 4.03Å; V431-V482 HydrophobicContact CB-CG2 3.93Å; V431-V482 HydrophobicContact CG1-CG2 4.37Å; V431-V482 HydrophobicContact CG2-CB 3.91Å; V431-V482 HydrophobicContact CG2-CG1 4.17Å; V431-V482 HydrophobicContact CG2-CG2 3.84Å; V431-E483 CarbonylContact C-O 3.56Å; V431-E483 WeakPolarHBondContact CA-O 3.47Å; V431-E483 WeakPolarHBondContact CB-O 3.45Å
432	R	94.8	Very high	76.5	Confident	93 Å²	93	98 Å²	98	35%	0.351	53%	0.527	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	133.1	177.8	-174.2	174.9	-68.8	152	2	110.1	L434 D451 E452 V482 E483 I485	R432-L434 PolarHBondContact O-N 2.85Å; R432-D451 CarbonylContact C-O 3.6Å; R432-D451 WeakPolarHBondContact CA-O 3.48Å; R432-E452 IonicContact CZ-OE1 3.44Å; R432-E452 IonicContact NE-OE1 3.07Å; R432-E452 PolarHBondContact NE-OE1 3.12Å; R432-E452 IonicContact NH2-OE1 2.68Å; R432-E452 PolarHBondContact NH2-OE1 3.22Å; R432-V482 CarbonylContact O-C 3.55Å; R432-V482 WeakPolarHBondContact O-CA 3.48Å; R432-V482 WeakPolarHBondContact O-CB 3.44Å; R432-E483 HydrophobicContact CB-CG 4.15Å; R432-E483 PolarHBondContact N-O 3.45Å; R432-E483 PolarHBondContact O-N 3.43Å; R432-I485 HydrophobicContact CB-CD1 3.86Å; R432-I485 HydrophobicContact CB-CG1 3.83Å
433	A	95.3	Very high	79.2	Confident	3 Å²	3	93.5 Å²	93.5	3%	0.025	50%	0.503	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	126.1	173.3	0	0	0	0	0	111.4	F447 K448 G450 D451	A433-F447 HydrophobicContact CB-CD2 3.39Å; A433-F447 HydrophobicContact CB-CE2 3.62Å; A433-F447 HydrophobicContact CB-CG 4.47Å; A433-K448 VanDerWaalsContact CB-O 3.29Å; A433-K448 WeakPolarHBondContact CB-O 3.16Å; A433-G450 PolarHBondContact O-N 3Å; A433-D451 HydrophobicContact CB-CB 4.47Å; A433-D451 PolarHBondContact N-O 2.79Å
434	L	94.4	Very high	82.1	Confident	67 Å²	67	90.5 Å²	90.5	35%	0.351	47%	0.474	S	S	.	.	S	Bend	trans	-85.1	-27.3	175.6	-66.5	175.3	0	0	0	112.2	R432 Y481 E483	R432-L434 PolarHBondContact O-N 2.85Å; L434-Y481 PolarHBondContact N-O 3.07Å; L434-E483 HydrophobicContact CD1-CB 4.24Å; L434-E483 HydrophobicContact CD2-CB 4.09Å; L434-E483 HydrophobicContact CD2-CG 3.72Å; L434-E483 HydrophobicContact CG-CB 4.24Å; L434-E483 HydrophobicContact CG-CG 4.23Å
435	Y	92.6	Very high	84.9	Confident	135 Å²	135	84.3 Å²	84.3	53%	0.529	44%	0.436	S	S	.	.	S	Bend	trans	-138.8	156.5	-175.9	-49.7	-74.2	0	0	0	110.7	Y481	Y435-Y481 HydrophobicContact CD2-CD1 4.24Å; Y435-Y481 HydrophobicContact CD2-CG 4.34Å; Y435-Y481 HydrophobicContact CG-CD1 4.5Å
436	D	95.1	Very high	87.4	Confident	90 Å²	90	81.1 Å²	81.1	48%	0.481	41%	0.414	S	S	.	.			trans	-65.4	135	168.2	-74.4	26.5	0	0	0	109.1	K448 A449	D436-K448 IonicContact OD2-NZ 3.22Å; D436-K448 PolarHBondContact OD2-NZ 3.26Å; D436-K448 VanDerWaalsContact OD2-NZ 3.07Å; D436-A449 WeakPolarHBondContact OD1-CB 3.24Å; D436-A449 PolarHBondContact OD1-N 3.36Å
437	Y	95.5	Very high	90	Very high	30 Å²	30	78.7 Å²	78.7	12%	0.118	39%	0.386	C	S	.	.	B	Isolated β-bridge	trans	-131.8	129.9	176	-171	-104.1	0	0	0	110	E444 L445 S446 F447 W464 P478 Y481	Y437-E444 HydrophobicContact CE1-CB 4.49Å; Y437-E444 PolarHBondContact OH-OE2 3.04Å; Y437-L445 WeakPolarHBondContact CD1-O 3.49Å; Y437-L445 WeakPolarHBondContact CE1-O 3.31Å; Y437-S446 CarbonylContact O-C 3.59Å; Y437-S446 VanDerWaalsContact O-CA 3.31Å; Y437-S446 WeakPolarHBondContact O-CA 3.32Å; Y437-F447 VanDerWaalsContact CB-CZ 3.46Å; Y437-F447 AromaticContact CD1-CE1 3.86Å; Y437-F447 HydrophobicContact CD1-CE1 3.86Å; Y437-F447 HydrophobicContact CD1-CZ 4.13Å; Y437-F447 HydrophobicContact CG-CE1 4.18Å; Y437-F447 AromaticContact CG-CZ 3.99Å; Y437-F447 HydrophobicContact CG-CZ 3.99Å; Y437-F447 PolarHBondContact N-O 3.01Å; Y437-F447 PolarHBondContact O-N 3.49Å; Y437-F447 VanDerWaalsContact O-O 3.06Å; Y437-W464 HydrophobicContact CE1-CZ3 4.41Å; Y437-W464 WeakPolarHBondContact OH-CH2 3.38Å; Y437-P478 HydrophobicContact CD2-CG 3.78Å; Y437-P478 HydrophobicContact CE1-CG 4.39Å; Y437-P478 HydrophobicContact CE2-CG 3.51Å; Y437-P478 HydrophobicContact CG-CG 4.34Å; Y437-Y481 AromaticContact CD2-CD1 3.88Å; Y437-Y481 HydrophobicContact CD2-CD1 3.88Å; Y437-Y481 AromaticContact CD2-CE1 3.78Å; Y437-Y481 HydrophobicContact CD2-CE1 3.78Å; Y437-Y481 HydrophobicContact CG-CD1 4.3Å
438	E	95.7	Very high	92.2	Very high	163 Å²	163	78.6 Å²	78.6	76%	0.762	38%	0.375	S	S	*	.			trans	-116	113	175.3	-172.4	172.7	-166	0	0	107.7	Q440	E438-Q440 PolarHBondContact O-N 2.79Å
439	G	92.8	Very high	93.5	Very high	21 Å²	21	74 Å²	74	22%	0.216	36%	0.363	C	S	.	.			trans	-60.1	131.4	-178.8	0	0	0	0	0	111.6	E444 L445 S446	G439-E444 VanDerWaalsContact CA-OE2 3.29Å; G439-E444 WeakPolarHBondContact CA-OE2 3.32Å; G439-L445 PolarHBondContact N-O 3.4Å; G439-S446 PolarHBondContact N-OG 2.97Å
440	Q	90.9	Very high	93.7	Very high	169 Å²	169	73.3 Å²	73.3	79%	0.79	37%	0.367	S	S	*	.	S	Bend	trans	-89.6	-33.4	-179.1	-62.6	-173.7	22.8	0	0	111.8	E438 E444	E438-Q440 PolarHBondContact O-N 2.79Å; Q440-E444 PolarHBondContact N-OE2 3.07Å
441	E	90.6	Very high	93.8	Very high	125 Å²	125	72.9 Å²	72.9	58%	0.584	37%	0.371	S	S	*	.	S	Bend	trans	-106.3	161.2	176.6	-58.7	-162.4	-171.6	0	0	112.2	D443 E444	E441-D443 VanDerWaalsContact CB-OD1 3.22Å; E441-D443 WeakPolarHBondContact CB-OD1 3.17Å; E441-D443 PolarHBondContact O-N 3.37Å; E441-E444 HydrophobicContact CB-CG 4.25Å; E441-E444 PolarHBondContact N-OE1 3.48Å; E441-E444 PolarHBondContact O-N 2.94Å; E441-E444 VanDerWaalsContact O-N 3.17Å
442	H	88.2	Confident	93.8	Very high	182 Å²	182	75.2 Å²	75.2	84%	0.843	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-19	-175.2	68.1	-55.9	0	0	0	115.2
443	D	93.4	Very high	93.7	Very high	64 Å²	64	70.8 Å²	70.8	34%	0.342	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.8	-1.1	180	59.4	-36.1	0	0	0	112.7	E441 G475 L476	E441-D443 VanDerWaalsContact CB-OD1 3.22Å; E441-D443 WeakPolarHBondContact CB-OD1 3.17Å; E441-D443 PolarHBondContact O-N 3.37Å; D443-G475 CarbonylContact O-C 3.48Å; D443-G475 WeakPolarHBondContact O-CA 3.44Å; D443-L476 PolarHBondContact O-N 2.99Å
444	E	95.3	Very high	93.7	Very high	22 Å²	22	71.5 Å²	71.5	10%	0.103	37%	0.369	C	S	.	.	B	Isolated β-bridge	trans	-90.7	147.5	175.3	-63.4	178.9	-151	0	0	112.3	Y437 G439 Q440 E441 W464 L476	Y437-E444 HydrophobicContact CE1-CB 4.49Å; Y437-E444 PolarHBondContact OH-OE2 3.04Å; G439-E444 VanDerWaalsContact CA-OE2 3.29Å; G439-E444 WeakPolarHBondContact CA-OE2 3.32Å; Q440-E444 PolarHBondContact N-OE2 3.07Å; E441-E444 HydrophobicContact CB-CG 4.25Å; E441-E444 PolarHBondContact N-OE1 3.48Å; E441-E444 PolarHBondContact O-N 2.94Å; E441-E444 VanDerWaalsContact O-N 3.17Å; E444-W464 VanDerWaalsContact CD-CH2 3.49Å; E444-W464 HydrophobicContact CG-CH2 4.04Å; E444-W464 HydrophobicContact CG-CZ3 3.9Å; E444-L476 CarbonylContact C-O 3.59Å; E444-L476 WeakPolarHBondContact CA-O 3.39Å
445	L	94.4	Very high	93.7	Very high	0 Å²	0	70.9 Å²	70.9	0%	0	36%	0.363	C	S	.	.			trans	-83.2	151.8	172.9	-67.6	174.5	0	0	0	111.3	Y437 G439 F447 L469 Q473 L476 Y477	Y437-L445 WeakPolarHBondContact CD1-O 3.49Å; Y437-L445 WeakPolarHBondContact CE1-O 3.31Å; G439-L445 PolarHBondContact N-O 3.4Å; L445-F447 HydrophobicContact CB-CD1 4.03Å; L445-F447 HydrophobicContact CB-CE1 4.29Å; L445-L469 HydrophobicContact CD1-CG 4.24Å; L445-L469 HydrophobicContact CD2-CD1 4Å; L445-L469 HydrophobicContact CD2-CG 4.12Å; L445-Q473 HydrophobicContact CD2-CB 4.23Å; L445-Q473 HydrophobicContact CD2-CG 3.79Å; L445-L476 PolarHBondContact N-O 3.29Å; L445-Y477 HydrophobicContact CD1-CD1 4.3Å
446	S	95.4	Very high	93.6	Very high	61 Å²	61	68.6 Å²	68.6	43%	0.427	36%	0.358	S	S	.	.			trans	-118.1	127.2	167.8	-65.5	0	0	0	0	109.5	Y437 G439	Y437-S446 CarbonylContact O-C 3.59Å; Y437-S446 VanDerWaalsContact O-CA 3.31Å; Y437-S446 WeakPolarHBondContact O-CA 3.32Å; G439-S446 PolarHBondContact N-OG 2.97Å
447	F	95.1	Very high	93.3	Very high	8 Å²	8	69.1 Å²	69.1	4%	0.035	36%	0.358	C	S	.	.	B	Isolated β-bridge	trans	-151.1	162.4	-176.1	53.2	-95.1	0	0	0	111.8	A433 Y437 L445 D451 L453 L469 Y477	A433-F447 HydrophobicContact CB-CD2 3.39Å; A433-F447 HydrophobicContact CB-CE2 3.62Å; A433-F447 HydrophobicContact CB-CG 4.47Å; Y437-F447 VanDerWaalsContact CB-CZ 3.46Å; Y437-F447 AromaticContact CD1-CE1 3.86Å; Y437-F447 HydrophobicContact CD1-CE1 3.86Å; Y437-F447 HydrophobicContact CD1-CZ 4.13Å; Y437-F447 HydrophobicContact CG-CE1 4.18Å; Y437-F447 AromaticContact CG-CZ 3.99Å; Y437-F447 HydrophobicContact CG-CZ 3.99Å; Y437-F447 PolarHBondContact N-O 3.01Å; Y437-F447 PolarHBondContact O-N 3.49Å; Y437-F447 VanDerWaalsContact O-O 3.06Å; L445-F447 HydrophobicContact CB-CD1 4.03Å; L445-F447 HydrophobicContact CB-CE1 4.29Å; F447-D451 HydrophobicContact CB-CB 4.28Å; F447-L453 HydrophobicContact CD1-CD2 4.09Å; F447-L453 HydrophobicContact CD2-CD2 4.4Å; F447-L453 HydrophobicContact CE1-CD2 4.32Å; F447-L453 HydrophobicContact CG-CD2 4.13Å; F447-L469 HydrophobicContact CB-CD2 3.99Å; F447-Y477 HydrophobicContact CE1-CG 4.44Å
448	K	95.1	Very high	93	Very high	125 Å²	125	73.9 Å²	73.9	54%	0.543	39%	0.385	S	S	.	.			trans	-104.8	155.1	178.5	-68	-168.8	163.2	-67.2	0	111.7	A433 D436 G450 D451	A433-K448 VanDerWaalsContact CB-O 3.29Å; A433-K448 WeakPolarHBondContact CB-O 3.16Å; D436-K448 IonicContact OD2-NZ 3.22Å; D436-K448 PolarHBondContact OD2-NZ 3.26Å; D436-K448 VanDerWaalsContact OD2-NZ 3.07Å; K448-G450 PolarHBondContact O-N 3.28Å; K448-D451 PolarHBondContact N-OD2 3.42Å; K448-D451 VanDerWaalsContact O-CB 3.26Å; K448-D451 WeakPolarHBondContact O-CB 3.33Å; K448-D451 VanDerWaalsContact O-CG 3.31Å; K448-D451 PolarHBondContact O-N 3.43Å
449	A	94.4	Very high	92.8	Very high	51 Å²	51	72 Å²	72	42%	0.421	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55	127.3	171.9	0	0	0	0	0	110	D436	D436-A449 WeakPolarHBondContact OD1-CB 3.24Å; D436-A449 PolarHBondContact OD1-N 3.36Å
450	G	92.4	Very high	92.7	Very high	44 Å²	44	74.1 Å²	74.1	45%	0.454	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	97.5	-13.5	-175.1	0	0	0	0	0	115	A433 K448	A433-G450 PolarHBondContact O-N 3Å; K448-G450 PolarHBondContact O-N 3.28Å
451	D	93.6	Very high	92.5	Very high	71 Å²	71	76 Å²	76	38%	0.38	39%	0.392	S	S	.	.			trans	-66.3	144.8	175.9	-70.2	-11.6	0	0	0	110.8	R432 A433 F447 K448	R432-D451 CarbonylContact C-O 3.6Å; R432-D451 WeakPolarHBondContact CA-O 3.48Å; A433-D451 HydrophobicContact CB-CB 4.47Å; A433-D451 PolarHBondContact N-O 2.79Å; F447-D451 HydrophobicContact CB-CB 4.28Å; K448-D451 PolarHBondContact N-OD2 3.42Å; K448-D451 VanDerWaalsContact O-CB 3.26Å; K448-D451 WeakPolarHBondContact O-CB 3.33Å; K448-D451 VanDerWaalsContact O-CG 3.31Å; K448-D451 PolarHBondContact O-N 3.43Å
452	E	94.2	Very high	92.3	Very high	56 Å²	56	77.3 Å²	77.3	26%	0.262	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	136.9	177.8	-57.2	-168.8	166	0	0	110.1	R430 V431 R432 I485	R430-E452 IonicContact CZ-OE2 3.62Å; R430-E452 IonicContact NE-OE2 3.81Å; R430-E452 IonicContact NH2-OE2 3.71Å; R430-E452 PolarHBondContact NH2-OE2 3.46Å; V431-E452 CarbonylContact O-C 3.42Å; V431-E452 WeakPolarHBondContact O-CA 3.17Å; R432-E452 IonicContact CZ-OE1 3.44Å; R432-E452 IonicContact NE-OE1 3.07Å; R432-E452 PolarHBondContact NE-OE1 3.12Å; R432-E452 IonicContact NH2-OE1 2.68Å; R432-E452 PolarHBondContact NH2-OE1 3.22Å; E452-I485 HydrophobicContact CB-CD1 4.21Å; E452-I485 HydrophobicContact CG-CD1 3.7Å; E452-I485 WeakPolarHBondContact OE1-CD1 3.32Å
453	L	94.1	Very high	92.5	Very high	0 Å²	0	69.6 Å²	69.6	0%	0	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	156	-179.1	50.7	104.8	0	0	0	111.1	V431 F447 R468 L469 Y477 V482	V431-L453 HydrophobicContact CG2-CD1 3.13Å; V431-L453 HydrophobicContact CG2-CG 3.6Å; V431-L453 PolarHBondContact N-O 3.31Å; V431-L453 PolarHBondContact O-N 3.34Å; F447-L453 HydrophobicContact CD1-CD2 4.09Å; F447-L453 HydrophobicContact CD2-CD2 4.4Å; F447-L453 HydrophobicContact CE1-CD2 4.32Å; F447-L453 HydrophobicContact CG-CD2 4.13Å; L453-R468 WeakPolarHBondContact CA-O 3.36Å; L453-L469 HydrophobicContact CB-CD2 4.14Å; L453-L469 HydrophobicContact CD2-CD2 4.09Å; L453-Y477 HydrophobicContact CD1-CD1 3.99Å; L453-Y477 HydrophobicContact CD1-CD2 4.39Å; L453-Y477 HydrophobicContact CD1-CE1 3.59Å; L453-Y477 HydrophobicContact CD1-CE2 4.06Å; L453-Y477 HydrophobicContact CD1-CG 4.36Å; L453-V482 HydrophobicContact CD1-CG1 4.31Å; L453-V482 HydrophobicContact CD2-CG1 4.36Å
454	T	94.8	Very high	92.6	Very high	17 Å²	17	69.5 Å²	69.5	10%	0.104	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	118.4	-179.1	-52.7	0	0	0	0	108.6	E428 G467 R468	E428-T454 HydrophobicContact CB-CG2 4.28Å; E428-T454 HydrophobicContact CG-CG2 4.14Å; T454-G467 CarbonylContact O-C 3.56Å; T454-G467 WeakPolarHBondContact O-CA 3.41Å; T454-R468 PolarHBondContact N-O 2.94Å; T454-R468 PolarHBondContact O-N 3.38Å
455	K	93.4	Very high	92.5	Very high	54 Å²	54	68.7 Å²	68.7	24%	0.235	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	127.6	174.7	-177.7	177	173.5	-173.4	0	109.3	V429 V431 E457 D458	V429-K455 HydrophobicContact CB-CB 4.44Å; V429-K455 WeakPolarHBondContact O-CB 3.4Å; V429-K455 PolarHBondContact O-N 2.95Å; V431-K455 HydrophobicContact CG1-CB 4.22Å; K455-E457 WeakPolarHBondContact CE-O 3.42Å; K455-E457 WeakPolarHBondContact CG-O 3.42Å; K455-D458 VanDerWaalsContact CE-OD1 3.29Å; K455-D458 WeakPolarHBondContact CE-OD1 3.46Å; K455-D458 IonicContact NZ-OD1 2.62Å; K455-D458 PolarHBondContact NZ-OD1 3.41Å
456	M	90.7	Very high	92.5	Very high	87 Å²	87	72.1 Å²	72.1	43%	0.429	37%	0.374	S	S	.	.			trans	-107.6	-38.2	-178.9	-64.2	-166	68.6	0	0	112.7	K466 R468 V474	M456-K466 PolarHBondContact N-O 2.92Å; M456-R468 VanDerWaalsContact CE-NH1 3.33Å; M456-R468 HydrophobicContact CG-CB 4.49Å; M456-R468 HydrophobicContact SD-CB 4.02Å; M456-R468 PolarHBondContact SD-NH1 3.5Å; M456-R468 VanDerWaalsContact SD-NH1 3.41Å; M456-V474 HydrophobicContact SD-CG1 4.21Å; M456-V474 HydrophobicContact SD-CG2 4.44Å
457	E	89.7	Confident	92.4	Very high	102 Å²	102	69.2 Å²	69.2	48%	0.477	35%	0.354	S	S	.	.	S	Bend	trans	-129	153.2	178.9	-63.4	172.3	-156.6	0	0	109.9	K455 K466	K455-E457 WeakPolarHBondContact CE-O 3.42Å; K455-E457 WeakPolarHBondContact CG-O 3.42Å; E457-K466 HydrophobicContact CB-CB 3.9Å; E457-K466 VanDerWaalsContact CD-CD 3.41Å; E457-K466 HydrophobicContact CG-CB 4.14Å; E457-K466 HydrophobicContact CG-CD 4.15Å; E457-K466 PolarHBondContact N-O 3.39Å; E457-K466 WeakPolarHBondContact OE1-CD 3.37Å; E457-K466 IonicContact OE1-NZ 2.74Å; E457-K466 PolarHBondContact OE1-NZ 3.05Å
458	D	88.9	Confident	92.5	Very high	129 Å²	129	72.7 Å²	72.7	69%	0.69	37%	0.367	S	S	*	.			trans	-70.8	168.4	175.7	-80.3	-43	0	0	0	112.7	K455 D460	K455-D458 VanDerWaalsContact CE-OD1 3.29Å; K455-D458 WeakPolarHBondContact CE-OD1 3.46Å; K455-D458 IonicContact NZ-OD1 2.62Å; K455-D458 PolarHBondContact NZ-OD1 3.41Å; D458-D460 PolarHBondContact O-N 2.95Å
459	E	92.1	Very high	92.3	Very high	124 Å²	124	67.5 Å²	67.5	58%	0.579	35%	0.345	S	S	*	.			trans	-61.7	127.7	178.4	-173.5	-179.3	158.2	0	0	110.5	G463 W464 A479	E459-G463 WeakPolarHBondContact OE1-CA 2.99Å; E459-W464 CarbonylContact C-O 3.53Å; E459-W464 WeakPolarHBondContact CA-O 3.41Å; E459-A479 HydrophobicContact CB-CB 4.31Å; E459-A479 HydrophobicContact CG-CB 3.86Å
460	D	89.2	Confident	92	Very high	66 Å²	66	70.6 Å²	70.6	35%	0.353	35%	0.354	S	S	.	.			trans	-80.1	-178.9	175.5	80.2	-9.6	0	0	0	112.6	D458 Q462 G463 W464	D458-D460 PolarHBondContact O-N 2.95Å; D460-Q462 PolarHBondContact O-N 3.35Å; D460-Q462 WeakPolarHBondContact OD1-CA 3.41Å; D460-Q462 WeakPolarHBondContact OD1-CB 3.31Å; D460-Q462 PolarHBondContact OD1-N 3.38Å; D460-Q462 PolarHBondContact OD2-NE2 3.24Å; D460-G463 PolarHBondContact O-N 3.18Å; D460-G463 PolarHBondContact OD1-N 2.83Å; D460-W464 PolarHBondContact N-O 3.19Å; D460-W464 PolarHBondContact OD1-N 3.04Å
461	E	88.1	Confident	91.7	Very high	207 Å²	207	74.1 Å²	74.1	97%	0.967	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-11.3	179.8	-62.2	-174.9	172.7	0	0	114.2
462	Q	86.4	Confident	91.4	Very high	153 Å²	153	73.1 Å²	73.1	72%	0.715	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.6	-0.7	-175.9	-67.4	157.8	95.8	0	0	112.5	D460	D460-Q462 PolarHBondContact O-N 3.35Å; D460-Q462 WeakPolarHBondContact OD1-CA 3.41Å; D460-Q462 WeakPolarHBondContact OD1-CB 3.31Å; D460-Q462 PolarHBondContact OD1-N 3.38Å; D460-Q462 PolarHBondContact OD2-NE2 3.24Å
463	G	91	Very high	91.2	Very high	20 Å²	20	75 Å²	75	21%	0.206	38%	0.378	C	S	.	.	S	Bend	trans	89.7	17.1	177.7	0	0	0	0	0	114.8	E459 D460 A479	E459-G463 WeakPolarHBondContact OE1-CA 2.99Å; D460-G463 PolarHBondContact O-N 3.18Å; D460-G463 PolarHBondContact OD1-N 2.83Å; G463-A479 WeakPolarHBondContact O-CB 3.45Å; G463-A479 PolarHBondContact O-N 3.25Å
464	W	95.5	Very high	91.2	Very high	63 Å²	63	78.3 Å²	78.3	24%	0.239	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	140.8	-178.7	-66.2	85.3	0	0	0	111.8	Y437 E444 E459 D460 L476 P478	Y437-W464 HydrophobicContact CE1-CZ3 4.41Å; Y437-W464 WeakPolarHBondContact OH-CH2 3.38Å; E444-W464 VanDerWaalsContact CD-CH2 3.49Å; E444-W464 HydrophobicContact CG-CH2 4.04Å; E444-W464 HydrophobicContact CG-CZ3 3.9Å; E459-W464 CarbonylContact C-O 3.53Å; E459-W464 WeakPolarHBondContact CA-O 3.41Å; D460-W464 PolarHBondContact N-O 3.19Å; D460-W464 PolarHBondContact OD1-N 3.04Å; W464-L476 HydrophobicContact CE3-CB 3.85Å; W464-L476 HydrophobicContact CZ3-CB 4.32Å; W464-P478 HydrophobicContact CZ3-CG 4.34Å
465	C	94.2	Very high	91.2	Very high	5 Å²	5	77.8 Å²	77.8	3%	0.034	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	154.5	169.3	-65.5	0	0	0	0	109.4	L476 Y477 A479	C465-L476 CarbonylContact O-C 3.59Å; C465-L476 WeakPolarHBondContact O-CA 3.48Å; C465-Y477 HydrophobicContact CB-CD1 4.3Å; C465-Y477 HydrophobicContact CB-CD2 4.36Å; C465-Y477 HydrophobicContact CB-CE1 3.68Å; C465-Y477 HydrophobicContact CB-CE2 3.72Å; C465-Y477 WeakPolarHBondContact CB-OH 3.42Å; C465-Y477 PolarHBondContact N-O 3.44Å; C465-Y477 WeakPolarHBondContact O-CD1 3.37Å; C465-Y477 PolarHBondContact O-N 3.42Å; C465-A479 VanDerWaalsContact SG-CB 3.58Å
466	K	94.3	Very high	91.4	Very high	72 Å²	72	77.7 Å²	77.7	31%	0.313	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	132.4	168.8	-164.1	-178.3	-176.3	174.8	0	110.3	M456 E457 V474 L476	M456-K466 PolarHBondContact N-O 2.92Å; E457-K466 HydrophobicContact CB-CB 3.9Å; E457-K466 VanDerWaalsContact CD-CD 3.41Å; E457-K466 HydrophobicContact CG-CB 4.14Å; E457-K466 HydrophobicContact CG-CD 4.15Å; E457-K466 PolarHBondContact N-O 3.39Å; E457-K466 WeakPolarHBondContact OE1-CD 3.37Å; E457-K466 IonicContact OE1-NZ 2.74Å; E457-K466 PolarHBondContact OE1-NZ 3.05Å; K466-V474 HydrophobicContact CG-CG1 4.3Å; K466-L476 HydrophobicContact CB-CD2 4.15Å; K466-L476 HydrophobicContact CG-CD2 4.38Å
467	G	94.1	Very high	91.6	Very high	0 Å²	0	73.6 Å²	73.6	0%	0	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	171.7	-176.9	0	0	0	0	0	113.7	T454 V474 G475	T454-G467 CarbonylContact O-C 3.56Å; T454-G467 WeakPolarHBondContact O-CA 3.41Å; G467-V474 WeakPolarHBondContact O-CA 3.28Å; G467-G475 PolarHBondContact N-O 3.42Å; G467-G475 PolarHBondContact O-N 3.1Å; G467-G475 VanDerWaalsContact O-N 3.08Å
468	R	95.5	Very high	91.9	Very high	80 Å²	80	69.3 Å²	69.3	30%	0.302	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	125	175.7	179.6	167	49.7	-132.9	-4.1	110.5	L453 T454 M456 Q473 V474	L453-R468 WeakPolarHBondContact CA-O 3.36Å; T454-R468 PolarHBondContact N-O 2.94Å; T454-R468 PolarHBondContact O-N 3.38Å; M456-R468 VanDerWaalsContact CE-NH1 3.33Å; M456-R468 HydrophobicContact CG-CB 4.49Å; M456-R468 HydrophobicContact SD-CB 4.02Å; M456-R468 PolarHBondContact SD-NH1 3.5Å; M456-R468 VanDerWaalsContact SD-NH1 3.41Å; R468-Q473 CarbonylContact C-O 3.45Å; R468-Q473 WeakPolarHBondContact CA-O 3.26Å; R468-V474 HydrophobicContact CB-CG2 4.04Å; R468-V474 HydrophobicContact CG-CG2 3.93Å
469	L	92.6	Very high	92.1	Very high	17 Å²	17	64.1 Å²	64.1	9%	0.089	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	158.4	172.3	-68.5	174.9	0	0	0	110.8	L445 F447 L453 N471 G472 Q473	L445-L469 HydrophobicContact CD1-CG 4.24Å; L445-L469 HydrophobicContact CD2-CD1 4Å; L445-L469 HydrophobicContact CD2-CG 4.12Å; F447-L469 HydrophobicContact CB-CD2 3.99Å; L453-L469 HydrophobicContact CB-CD2 4.14Å; L453-L469 HydrophobicContact CD2-CD2 4.09Å; L469-N471 WeakPolarHBondContact CB-OD1 3.27Å; L469-N471 PolarHBondContact O-N 3.15Å; L469-N471 VanDerWaalsContact O-N 3.12Å; L469-G472 PolarHBondContact O-N 3.23Å; L469-Q473 HydrophobicContact CD1-CB 4.41Å; L469-Q473 PolarHBondContact N-O 3.36Å
470	D	87.5	Confident	92.2	Very high	115 Å²	115	63.7 Å²	63.7	62%	0.615	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-19.7	177.4	-73.4	-8.3	0	0	0	113.1	R430 G472	R430-D470 IonicContact CZ-OD1 3.75Å; R430-D470 IonicContact NH1-OD1 3.19Å; R430-D470 PolarHBondContact NH1-OD1 3.17Å; R430-D470 IonicContact NH1-OD2 3.12Å; R430-D470 IonicContact NH2-OD2 2.79Å; D470-G472 PolarHBondContact O-N 3.09Å
471	N	84.9	Confident	92.4	Very high	118 Å²	118	64 Å²	64	63%	0.631	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-1.3	173	70.9	2.2	0	0	0	113.7	L469 Q473	L469-N471 WeakPolarHBondContact CB-OD1 3.27Å; L469-N471 PolarHBondContact O-N 3.15Å; L469-N471 VanDerWaalsContact O-N 3.12Å; N471-Q473 WeakPolarHBondContact OD1-CB 3.4Å; N471-Q473 PolarHBondContact OD1-N 3.1Å
472	G	87.1	Confident	92.7	Very high	50 Å²	50	55.2 Å²	55.2	52%	0.515	29%	0.293	S	S	.	.	S	Bend	trans	89.8	-5.1	-179.9	0	0	0	0	0	115.3	L469 D470	L469-G472 PolarHBondContact O-N 3.23Å; D470-G472 PolarHBondContact O-N 3.09Å
473	Q	91	Very high	93	Very high	96 Å²	96	52.2 Å²	52.2	45%	0.449	28%	0.279	S	S	.	.			trans	-70.4	132.3	178	-168.7	177.6	2.2	0	0	110.7	L445 R468 L469 N471	L445-Q473 HydrophobicContact CD2-CB 4.23Å; L445-Q473 HydrophobicContact CD2-CG 3.79Å; R468-Q473 CarbonylContact C-O 3.45Å; R468-Q473 WeakPolarHBondContact CA-O 3.26Å; L469-Q473 HydrophobicContact CD1-CB 4.41Å; L469-Q473 PolarHBondContact N-O 3.36Å; N471-Q473 WeakPolarHBondContact OD1-CB 3.4Å; N471-Q473 PolarHBondContact OD1-N 3.1Å
474	V	94.8	Very high	93	Very high	69 Å²	69	54.4 Å²	54.4	42%	0.418	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	137.1	178.4	-179.3	0	0	0	0	109	M456 K466 G467 R468	M456-V474 HydrophobicContact SD-CG1 4.21Å; M456-V474 HydrophobicContact SD-CG2 4.44Å; K466-V474 HydrophobicContact CG-CG1 4.3Å; G467-V474 WeakPolarHBondContact O-CA 3.28Å; R468-V474 HydrophobicContact CB-CG2 4.04Å; R468-V474 HydrophobicContact CG-CG2 3.93Å
475	G	95	Very high	92.5	Very high	7 Å²	7	53.9 Å²	53.9	7%	0.072	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-177.3	-176.9	178.5	0	0	0	0	0	112.5	D443 G467	D443-G475 CarbonylContact O-C 3.48Å; D443-G475 WeakPolarHBondContact O-CA 3.44Å; G467-G475 PolarHBondContact N-O 3.42Å; G467-G475 PolarHBondContact O-N 3.1Å; G467-G475 VanDerWaalsContact O-N 3.08Å
476	L	96.1	Very high	90.8	Very high	51 Å²	51	66 Å²	66	27%	0.267	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	145.6	179.7	-63	177.6	0	0	0	111.4	D443 E444 L445 W464 C465 K466	D443-L476 PolarHBondContact O-N 2.99Å; E444-L476 CarbonylContact C-O 3.59Å; E444-L476 WeakPolarHBondContact CA-O 3.39Å; L445-L476 PolarHBondContact N-O 3.29Å; W464-L476 HydrophobicContact CE3-CB 3.85Å; W464-L476 HydrophobicContact CZ3-CB 4.32Å; C465-L476 CarbonylContact O-C 3.59Å; C465-L476 WeakPolarHBondContact O-CA 3.48Å; K466-L476 HydrophobicContact CB-CD2 4.15Å; K466-L476 HydrophobicContact CG-CD2 4.38Å
477	Y	95.1	Very high	90.6	Very high	1 Å²	1	65.7 Å²	65.7	0%	0.004	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	151.3	172	68.6	-88.1	0	0	0	111.2	L445 F447 L453 C465 A479 V482	L445-Y477 HydrophobicContact CD1-CD1 4.3Å; F447-Y477 HydrophobicContact CE1-CG 4.44Å; L453-Y477 HydrophobicContact CD1-CD1 3.99Å; L453-Y477 HydrophobicContact CD1-CD2 4.39Å; L453-Y477 HydrophobicContact CD1-CE1 3.59Å; L453-Y477 HydrophobicContact CD1-CE2 4.06Å; L453-Y477 HydrophobicContact CD1-CG 4.36Å; C465-Y477 HydrophobicContact CB-CD1 4.3Å; C465-Y477 HydrophobicContact CB-CD2 4.36Å; C465-Y477 HydrophobicContact CB-CE1 3.68Å; C465-Y477 HydrophobicContact CB-CE2 3.72Å; C465-Y477 WeakPolarHBondContact CB-OH 3.42Å; C465-Y477 PolarHBondContact N-O 3.44Å; C465-Y477 WeakPolarHBondContact O-CD1 3.37Å; C465-Y477 PolarHBondContact O-N 3.42Å; Y477-A479 PolarHBondContact O-N 3.09Å; Y477-V482 HydrophobicContact CD2-CG1 3.82Å; Y477-V482 HydrophobicContact CD2-CG2 4.29Å; Y477-V482 HydrophobicContact CE2-CB 4.3Å; Y477-V482 HydrophobicContact CE2-CG1 3.76Å; Y477-V482 HydrophobicContact CE2-CG2 3.51Å
478	P	95.7	Very high	90.5	Very high	13 Å²	13	69.2 Å²	69.2	8%	0.084	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	129	179	3.4	3	0	0	0	111.2	Y437 W464 N480 Y481	Y437-P478 HydrophobicContact CD2-CG 3.78Å; Y437-P478 HydrophobicContact CE1-CG 4.39Å; Y437-P478 HydrophobicContact CE2-CG 3.51Å; Y437-P478 HydrophobicContact CG-CG 4.34Å; W464-P478 HydrophobicContact CZ3-CG 4.34Å; P478-N480 WeakPolarHBondContact CB-OD1 3.42Å; P478-N480 PolarHBondContact O-N 3.2Å; P478-N480 VanDerWaalsContact O-N 3.14Å; P478-Y481 HydrophobicContact CB-CD2 3.79Å; P478-Y481 HydrophobicContact CB-CE2 4.39Å; P478-Y481 HydrophobicContact CB-CG 4.33Å; P478-Y481 HydrophobicContact CG-CD2 3.75Å; P478-Y481 HydrophobicContact CG-CE2 4.23Å; P478-Y481 HydrophobicContact CG-CG 3.95Å; P478-Y481 WeakPolarHBondContact O-CB 3.4Å; P478-Y481 PolarHBondContact O-N 3.36Å
479	A	93.2	Very high	90.2	Very high	19 Å²	19	68.6 Å²	68.6	16%	0.157	38%	0.377	C	S	.	.	G	3₁₀ helix	trans	-59.2	-31.7	-175.2	0	0	0	0	0	113.2	E459 G463 C465 Y477 Y481	E459-A479 HydrophobicContact CB-CB 4.31Å; E459-A479 HydrophobicContact CG-CB 3.86Å; G463-A479 WeakPolarHBondContact O-CB 3.45Å; G463-A479 PolarHBondContact O-N 3.25Å; C465-A479 VanDerWaalsContact SG-CB 3.58Å; Y477-A479 PolarHBondContact O-N 3.09Å; A479-Y481 VanDerWaalsContact C-N 3.27Å; A479-Y481 PolarHBondContact O-N 3.13Å
480	N	94.6	Very high	90	Very high	115 Å²	115	71.6 Å²	71.6	62%	0.615	39%	0.394	S	S	*	.	G	3₁₀ helix	trans	-79.5	-1.1	-179.9	65.8	-31.5	0	0	0	114.7	P478	P478-N480 WeakPolarHBondContact CB-OD1 3.42Å; P478-N480 PolarHBondContact O-N 3.2Å; P478-N480 VanDerWaalsContact O-N 3.14Å
481	Y	94.3	Very high	90.2	Very high	73 Å²	73	68.9 Å²	68.9	29%	0.286	38%	0.38	S	S	.	.	G	3₁₀ helix	trans	-94	-1.7	178	-87.2	-120	0	0	0	113.2	L434 Y435 Y437 P478 A479	L434-Y481 PolarHBondContact N-O 3.07Å; Y435-Y481 HydrophobicContact CD2-CD1 4.24Å; Y435-Y481 HydrophobicContact CD2-CG 4.34Å; Y435-Y481 HydrophobicContact CG-CD1 4.5Å; Y437-Y481 AromaticContact CD2-CD1 3.88Å; Y437-Y481 HydrophobicContact CD2-CD1 3.88Å; Y437-Y481 AromaticContact CD2-CE1 3.78Å; Y437-Y481 HydrophobicContact CD2-CE1 3.78Å; Y437-Y481 HydrophobicContact CG-CD1 4.3Å; P478-Y481 HydrophobicContact CB-CD2 3.79Å; P478-Y481 HydrophobicContact CB-CE2 4.39Å; P478-Y481 HydrophobicContact CB-CG 4.33Å; P478-Y481 HydrophobicContact CG-CD2 3.75Å; P478-Y481 HydrophobicContact CG-CE2 4.23Å; P478-Y481 HydrophobicContact CG-CG 3.95Å; P478-Y481 WeakPolarHBondContact O-CB 3.4Å; P478-Y481 PolarHBondContact O-N 3.36Å; A479-Y481 VanDerWaalsContact C-N 3.27Å; A479-Y481 PolarHBondContact O-N 3.13Å
482	V	93.7	Very high	90.6	Very high	22 Å²	22	65.6 Å²	65.6	13%	0.133	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	157.3	-177.4	-52.8	0	0	0	0	111.8	V431 R432 L453 Y477	V431-V482 HydrophobicContact CB-CB 4.03Å; V431-V482 HydrophobicContact CB-CG2 3.93Å; V431-V482 HydrophobicContact CG1-CG2 4.37Å; V431-V482 HydrophobicContact CG2-CB 3.91Å; V431-V482 HydrophobicContact CG2-CG1 4.17Å; V431-V482 HydrophobicContact CG2-CG2 3.84Å; R432-V482 CarbonylContact O-C 3.55Å; R432-V482 WeakPolarHBondContact O-CA 3.48Å; R432-V482 WeakPolarHBondContact O-CB 3.44Å; L453-V482 HydrophobicContact CD1-CG1 4.31Å; L453-V482 HydrophobicContact CD2-CG1 4.36Å; Y477-V482 HydrophobicContact CD2-CG1 3.82Å; Y477-V482 HydrophobicContact CD2-CG2 4.29Å; Y477-V482 HydrophobicContact CE2-CB 4.3Å; Y477-V482 HydrophobicContact CE2-CG1 3.76Å; Y477-V482 HydrophobicContact CE2-CG2 3.51Å
483	E	93.8	Very high	90.8	Very high	90 Å²	90	66.7 Å²	66.7	42%	0.421	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	145.5	168.4	63.7	177.7	-175.2	0	0	110.5	V431 R432 L434 I485	V431-E483 CarbonylContact C-O 3.56Å; V431-E483 WeakPolarHBondContact CA-O 3.47Å; V431-E483 WeakPolarHBondContact CB-O 3.45Å; R432-E483 HydrophobicContact CB-CG 4.15Å; R432-E483 PolarHBondContact N-O 3.45Å; R432-E483 PolarHBondContact O-N 3.43Å; L434-E483 HydrophobicContact CD1-CB 4.24Å; L434-E483 HydrophobicContact CD2-CB 4.09Å; L434-E483 HydrophobicContact CD2-CG 3.72Å; L434-E483 HydrophobicContact CG-CB 4.24Å; L434-E483 HydrophobicContact CG-CG 4.23Å; E483-I485 PolarHBondContact O-N 3.35Å
484	A	89.8	Confident	90.8	Very high	67 Å²	67	64.5 Å²	64.5	55%	0.554	35%	0.345	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.1	131	173.8	0	0	0	0	0	110.6	V429 Q486	V429-A484 HydrophobicContact CG1-CB 4.27Å; A484-Q486 PolarHBondContact O-N 3.27Å
485	I	85.3	Confident	90.5	Very high	51 Å²	51	64.1 Å²	64.1	26%	0.262	34%	0.339	S	S	.	.			trans	-85.4	110.2	171.7	-53.8	174.6	0	0	0	106.2	R430 R432 E452 E483	R430-I485 HydrophobicContact CB-CB 4.24Å; R430-I485 HydrophobicContact CB-CD1 4.21Å; R430-I485 PolarHBondContact O-N 3.24Å; R432-I485 HydrophobicContact CB-CD1 3.86Å; R432-I485 HydrophobicContact CB-CG1 3.83Å; E452-I485 HydrophobicContact CB-CD1 4.21Å; E452-I485 HydrophobicContact CG-CD1 3.7Å; E452-I485 WeakPolarHBondContact OE1-CD1 3.32Å; E483-I485 PolarHBondContact O-N 3.35Å
486	Q	58.9	Low	90	Very high	260 Å²	260	69.3 Å²	69.3	100%	1.215	36%	0.363	S	S	*	.			trans	-77.2	0	173.6	-97.5	-178	2.1	0	0	112.4	A484	A484-Q486 PolarHBondContact O-N 3.27Å

Retrieved 486 of 486 residues in 75.5 ms (Link to these results)

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