A0AA82N853_SCHMA Loading...

Uncharacterized protein AlphaSync

AlphaFold DB , UniProt , Accession A0AA82N853, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 290 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	58.8	Low	71.7	Confident	245 Å²	245	110.9 Å²	110.9	100%	1.207	60%	0.604	S	S	*	*				0	119.3	0	-87.5	174.2	162.9	0	0	106.7
2	A	65.9	Low	71.5	Confident	98 Å²	98	107.3 Å²	107.3	81%	0.81	58%	0.582	S	S	*	*	P	Polyproline II helix	trans	-73.1	136.8	173.1	0	0	0	0	0	109.1
3	L	70.5	Confident	71.6	Confident	108 Å²	108	107.7 Å²	107.7	57%	0.565	58%	0.578	S	S	*	*	P	Polyproline II helix	trans	-67.5	136.6	171.6	-69.2	168.5	0	0	0	108.7	Q7	L3-Q7 HydrophobicContact CB-CB 4.28Å; L3-Q7 HydrophobicContact CD2-CB 3.93Å
4	T	79.2	Confident	71.7	Confident	76 Å²	76	111.3 Å²	111.3	47%	0.466	58%	0.579	S	S	.	*	P	Polyproline II helix	trans	-68.5	157.1	166.9	57.1	0	0	0	0	109.9	D6 Q7 F8	T4-D6 PolarHBondContact O-N 3.43Å; T4-Q7 WeakPolarHBondContact O-CB 3.19Å; T4-Q7 PolarHBondContact O-N 3.45Å; T4-Q7 WeakPolarHBondContact OG1-CB 3.47Å; T4-Q7 WeakPolarHBondContact OG1-CG 3.39Å; T4-Q7 PolarHBondContact OG1-N 3.02Å; T4-Q7 PolarHBondContact OG1-OE1 3.33Å; T4-F8 PolarHBondContact O-N 3.38Å
5	S	75	Confident	71.5	Confident	81 Å²	81	109.1 Å²	109.1	57%	0.566	57%	0.565	S	S	*	*	H	α-helix	trans	-53.4	-41.5	176.5	-171.7	0	0	0	0	111.6	Q7 F8 Q9	S5-Q7 PolarHBondContact O-N 3.35Å; S5-F8 PolarHBondContact O-N 3.27Å; S5-Q9 PolarHBondContact O-N 2.84Å
6	D	78.1	Confident	71.6	Confident	123 Å²	123	105.2 Å²	105.2	66%	0.658	54%	0.543	S	S	*	.	H	α-helix	trans	-62.7	-41.5	177	-59	-15.7	0	0	0	112.4	T4 F8 Q9 L10	T4-D6 PolarHBondContact O-N 3.43Å; D6-F8 VanDerWaalsContact C-N 3.32Å; D6-F8 PolarHBondContact O-N 3.18Å; D6-Q9 PolarHBondContact O-N 3.1Å; D6-L10 WeakPolarHBondContact O-CB 3.48Å; D6-L10 PolarHBondContact O-N 3.45Å
7	Q	74.3	Confident	71.8	Confident	96 Å²	96	107 Å²	107	45%	0.449	55%	0.549	S	S	.	.	H	α-helix	trans	-66	-36.1	176.5	-75.8	170.7	-24.6	0	0	112.2	L3 T4 S5 L11	L3-Q7 HydrophobicContact CB-CB 4.28Å; L3-Q7 HydrophobicContact CD2-CB 3.93Å; T4-Q7 WeakPolarHBondContact O-CB 3.19Å; T4-Q7 PolarHBondContact O-N 3.45Å; T4-Q7 WeakPolarHBondContact OG1-CB 3.47Å; T4-Q7 WeakPolarHBondContact OG1-CG 3.39Å; T4-Q7 PolarHBondContact OG1-N 3.02Å; T4-Q7 PolarHBondContact OG1-OE1 3.33Å; S5-Q7 PolarHBondContact O-N 3.35Å; Q7-L11 PolarHBondContact O-N 2.98Å; Q7-L11 VanDerWaalsContact O-N 3.09Å
8	F	70.2	Confident	71.7	Confident	97 Å²	97	107.9 Å²	107.9	43%	0.425	54%	0.544	S	S	.	.	H	α-helix	trans	-69.3	-44.8	176.3	-176.2	-105.1	0	0	0	111.7	T4 S5 D6 L10 L11 I12	T4-F8 PolarHBondContact O-N 3.38Å; S5-F8 PolarHBondContact O-N 3.27Å; D6-F8 VanDerWaalsContact C-N 3.32Å; D6-F8 PolarHBondContact O-N 3.18Å; F8-L10 VanDerWaalsContact C-N 3.33Å; F8-L10 PolarHBondContact O-N 2.83Å; F8-L11 WeakPolarHBondContact O-CB 3.36Å; F8-L11 PolarHBondContact O-N 3.26Å; F8-L11 VanDerWaalsContact O-N 3.17Å; F8-I12 HydrophobicContact CD1-CD1 3.76Å; F8-I12 HydrophobicContact CE1-CD1 3.33Å; F8-I12 HydrophobicContact CE1-CG1 4.28Å; F8-I12 HydrophobicContact CZ-CD1 3.81Å; F8-I12 HydrophobicContact CZ-CG1 4.4Å; F8-I12 PolarHBondContact O-N 3.37Å
9	Q	70.4	Confident	71.6	Confident	103 Å²	103	105.6 Å²	105.6	48%	0.481	53%	0.53	S	S	.	.	H	α-helix	trans	-60.2	-43.2	174.5	-73.1	-171.1	24	0	0	112	S5 D6 L11 I12 Q13	S5-Q9 PolarHBondContact O-N 2.84Å; D6-Q9 PolarHBondContact O-N 3.1Å; Q9-L11 VanDerWaalsContact C-N 3.27Å; Q9-L11 PolarHBondContact O-N 3.17Å; Q9-I12 PolarHBondContact O-N 3.02Å; Q9-Q13 WeakPolarHBondContact O-CG 3.48Å; Q9-Q13 PolarHBondContact O-N 3.26Å
10	L	75.6	Confident	71.8	Confident	113 Å²	113	104 Å²	104	59%	0.592	52%	0.517	S	S	*	.	H	α-helix	trans	-61.9	-36.5	176.9	-171.6	68.9	0	0	0	112	D6 F8 R14	D6-L10 WeakPolarHBondContact O-CB 3.48Å; D6-L10 PolarHBondContact O-N 3.45Å; F8-L10 VanDerWaalsContact C-N 3.33Å; F8-L10 PolarHBondContact O-N 2.83Å; L10-R14 WeakPolarHBondContact O-CB 3.26Å; L10-R14 PolarHBondContact O-N 3.32Å
11	L	71.1	Confident	72.1	Confident	80 Å²	80	106.3 Å²	106.3	42%	0.419	52%	0.524	S	S	.	.	H	α-helix	trans	-65.7	-45	175.7	-177.2	63.9	0	0	0	111.4	Q7 F8 Q9 R14 Q15	Q7-L11 PolarHBondContact O-N 2.98Å; Q7-L11 VanDerWaalsContact O-N 3.09Å; F8-L11 WeakPolarHBondContact O-CB 3.36Å; F8-L11 PolarHBondContact O-N 3.26Å; F8-L11 VanDerWaalsContact O-N 3.17Å; Q9-L11 VanDerWaalsContact C-N 3.27Å; Q9-L11 PolarHBondContact O-N 3.17Å; L11-R14 PolarHBondContact O-N 3.44Å; L11-Q15 WeakPolarHBondContact O-CG 3.32Å; L11-Q15 PolarHBondContact O-N 3.4Å
12	I	69.2	Low	72.7	Confident	68 Å²	68	94.8 Å²	94.8	35%	0.349	47%	0.468	S	S	.	.	H	α-helix	trans	-59.2	-52.2	176	-68.7	170.8	0	0	0	110.3	F8 Q9 R14 Q15 E16	F8-I12 HydrophobicContact CD1-CD1 3.76Å; F8-I12 HydrophobicContact CE1-CD1 3.33Å; F8-I12 HydrophobicContact CE1-CG1 4.28Å; F8-I12 HydrophobicContact CZ-CD1 3.81Å; F8-I12 HydrophobicContact CZ-CG1 4.4Å; F8-I12 PolarHBondContact O-N 3.37Å; Q9-I12 PolarHBondContact O-N 3.02Å; I12-R14 VanDerWaalsContact C-N 3.25Å; I12-R14 PolarHBondContact O-N 3.15Å; I12-Q15 PolarHBondContact O-N 3.4Å; I12-E16 HydrophobicContact CG2-CG 4.34Å; I12-E16 PolarHBondContact O-N 2.97Å
13	Q	73.1	Confident	73.2	Confident	112 Å²	112	90.7 Å²	90.7	52%	0.523	43%	0.432	S	S	.	.	H	α-helix	trans	-56.7	-41	179	-74.3	-175.6	-27	0	0	112	Q9 E16 Q17	Q9-Q13 WeakPolarHBondContact O-CG 3.48Å; Q9-Q13 PolarHBondContact O-N 3.26Å; Q13-E16 PolarHBondContact O-N 3.44Å; Q13-Q17 WeakPolarHBondContact O-CG 3.42Å; Q13-Q17 PolarHBondContact O-N 2.93Å
14	R	72.9	Confident	73.8	Confident	158 Å²	158	89.5 Å²	89.5	60%	0.596	43%	0.426	S	S	*	.	H	α-helix	trans	-65.6	-38	177.3	-169.7	177.2	-172.7	-179	1.8	112.3	L10 L11 I12 R18	L10-R14 WeakPolarHBondContact O-CB 3.26Å; L10-R14 PolarHBondContact O-N 3.32Å; L11-R14 PolarHBondContact O-N 3.44Å; I12-R14 VanDerWaalsContact C-N 3.25Å; I12-R14 PolarHBondContact O-N 3.15Å; R14-R18 WeakPolarHBondContact O-CG 3.48Å; R14-R18 PolarHBondContact O-N 3.21Å; R14-R18 VanDerWaalsContact O-N 3.1Å
15	Q	67.8	Low	73.9	Confident	79 Å²	79	88.6 Å²	88.6	37%	0.369	42%	0.418	S	S	.	.	H	α-helix	trans	-68.5	-44.9	175.5	-68.5	-70.1	39.4	0	0	111.4	L11 I12 Q17 R18 F19	L11-Q15 WeakPolarHBondContact O-CG 3.32Å; L11-Q15 PolarHBondContact O-N 3.4Å; I12-Q15 PolarHBondContact O-N 3.4Å; Q15-Q17 VanDerWaalsContact C-N 3.28Å; Q15-Q17 PolarHBondContact O-N 3.48Å; Q15-R18 PolarHBondContact O-N 3.01Å; Q15-R18 VanDerWaalsContact O-N 3.13Å; Q15-F19 WeakPolarHBondContact O-CB 3.3Å; Q15-F19 PolarHBondContact O-N 3.35Å
16	E	72.9	Confident	74.1	Confident	46 Å²	46	86.1 Å²	86.1	22%	0.215	40%	0.397	C	S	.	.	H	α-helix	trans	-59.3	-38.2	175	-70.5	-176.8	161.4	0	0	112.3	I12 Q13 R20 N64	I12-E16 HydrophobicContact CG2-CG 4.34Å; I12-E16 PolarHBondContact O-N 2.97Å; Q13-E16 PolarHBondContact O-N 3.44Å; E16-R20 WeakPolarHBondContact O-CB 3.34Å; E16-R20 WeakPolarHBondContact O-CG 3.44Å; E16-R20 PolarHBondContact O-N 3.46Å; E16-R20 PolarHBondContact O-NE 3.08Å; E16-R20 IonicContact OE2-NH2 3.7Å; E16-N64 PolarHBondContact OE1-ND2 3.5Å
17	Q	74.9	Confident	74.5	Confident	136 Å²	136	80.9 Å²	80.9	64%	0.636	37%	0.369	S	S	*	.	H	α-helix	trans	-68	-38.9	174.9	-77.4	-143.9	-12.5	0	0	113.2	Q13 Q15 F19 R20 K21	Q13-Q17 WeakPolarHBondContact O-CG 3.42Å; Q13-Q17 PolarHBondContact O-N 2.93Å; Q15-Q17 VanDerWaalsContact C-N 3.28Å; Q15-Q17 PolarHBondContact O-N 3.48Å; Q17-F19 VanDerWaalsContact C-N 3.35Å; Q17-R20 PolarHBondContact O-N 3.27Å; Q17-K21 WeakPolarHBondContact O-CB 3.37Å; Q17-K21 PolarHBondContact O-N 3.17Å
18	R	70.7	Confident	75.1	Confident	124 Å²	124	79.5 Å²	79.5	47%	0.468	37%	0.365	S	S	.	.	H	α-helix	trans	-64	-43.5	175.1	-75.7	172.7	177.3	169.8	-5.2	111.3	R14 Q15 K21 S22	R14-R18 WeakPolarHBondContact O-CG 3.48Å; R14-R18 PolarHBondContact O-N 3.21Å; R14-R18 VanDerWaalsContact O-N 3.1Å; Q15-R18 PolarHBondContact O-N 3.01Å; Q15-R18 VanDerWaalsContact O-N 3.13Å; R18-K21 PolarHBondContact O-N 3.21Å; R18-S22 PolarHBondContact O-N 3.46Å
19	F	70	Confident	75.8	Confident	64 Å²	64	78.8 Å²	78.8	28%	0.281	36%	0.362	S	S	.	.	H	α-helix	trans	-62.9	-44.9	176.2	-177.7	-99.5	0	0	0	111.8	Q15 Q17 K21 S22 Q23 Y61 F185 C268	Q15-F19 WeakPolarHBondContact O-CB 3.3Å; Q15-F19 PolarHBondContact O-N 3.35Å; Q17-F19 VanDerWaalsContact C-N 3.35Å; F19-K21 VanDerWaalsContact C-N 3.32Å; F19-K21 PolarHBondContact O-N 3.32Å; F19-S22 VanDerWaalsContact O-CB 3.29Å; F19-S22 WeakPolarHBondContact O-CB 3.44Å; F19-S22 PolarHBondContact O-N 3.04Å; F19-Q23 HydrophobicContact CE1-CG 4.2Å; F19-Q23 VanDerWaalsContact CE1-NE2 3.28Å; F19-Q23 HydrophobicContact CZ-CG 4.21Å; F19-Q23 PolarHBondContact O-N 3.24Å; F19-Y61 HydrophobicContact CD1-CE1 4.48Å; F19-Y61 WeakPolarHBondContact CD1-OH 3.37Å; F19-Y61 WeakPolarHBondContact CE1-OH 3.49Å; F19-F185 HydrophobicContact CE2-CE1 4.02Å; F19-C268 VanDerWaalsContact CE2-SG 3.51Å; F19-C268 WeakPolarHBondContact CZ-SG 3.33Å
20	R	75.2	Confident	76.4	Confident	72 Å²	72	74.1 Å²	74.1	27%	0.272	34%	0.34	S	S	.	.	H	α-helix	trans	-53.3	-48.5	171.1	-88	-176.9	-88	-152.1	-2.2	112.5	E16 Q17 Q23 L24 Y61 E65	E16-R20 WeakPolarHBondContact O-CB 3.34Å; E16-R20 WeakPolarHBondContact O-CG 3.44Å; E16-R20 PolarHBondContact O-N 3.46Å; E16-R20 PolarHBondContact O-NE 3.08Å; E16-R20 IonicContact OE2-NH2 3.7Å; Q17-R20 PolarHBondContact O-N 3.27Å; R20-Q23 PolarHBondContact O-N 2.86Å; R20-L24 PolarHBondContact O-N 3.28Å; R20-L24 VanDerWaalsContact O-N 3.13Å; R20-Y61 WeakPolarHBondContact CA-OH 3.38Å; R20-Y61 HydrophobicContact CG-CD1 3.89Å; R20-Y61 HydrophobicContact CG-CD2 4.14Å; R20-Y61 HydrophobicContact CG-CE1 3.3Å; R20-Y61 HydrophobicContact CG-CE2 3.57Å; R20-Y61 HydrophobicContact CG-CG 4.3Å; R20-Y61 VanDerWaalsContact CG-OH 3.27Å; R20-Y61 WeakPolarHBondContact CG-OH 3.3Å; R20-E65 IonicContact NH1-OE1 3.79Å
21	K	77.4	Confident	77	Confident	153 Å²	153	71 Å²	71	67%	0.665	32%	0.323	S	S	*	.	H	α-helix	trans	-64.5	-40.5	-179.6	-172.3	177.1	-179.6	179.5	0	112.2	Q17 R18 F19 L24 D25	Q17-K21 WeakPolarHBondContact O-CB 3.37Å; Q17-K21 PolarHBondContact O-N 3.17Å; R18-K21 PolarHBondContact O-N 3.21Å; F19-K21 VanDerWaalsContact C-N 3.32Å; F19-K21 PolarHBondContact O-N 3.32Å; K21-L24 PolarHBondContact O-N 3.31Å; K21-D25 WeakPolarHBondContact O-CB 3.36Å; K21-D25 PolarHBondContact O-N 3.17Å
22	S	73	Confident	77.6	Confident	4 Å²	4	69.3 Å²	69.3	3%	0.028	32%	0.32	C	S	.	.	H	α-helix	trans	-56.5	-52.1	174.6	171	0	0	0	0	111.9	R18 F19 L24 D25 F26 Y184	R18-S22 PolarHBondContact O-N 3.46Å; F19-S22 VanDerWaalsContact O-CB 3.29Å; F19-S22 WeakPolarHBondContact O-CB 3.44Å; F19-S22 PolarHBondContact O-N 3.04Å; S22-L24 VanDerWaalsContact C-N 3.31Å; S22-L24 PolarHBondContact O-N 2.94Å; S22-D25 PolarHBondContact O-N 3.09Å; S22-F26 PolarHBondContact O-N 3.31Å; S22-Y184 WeakPolarHBondContact OG-CD1 3.48Å; S22-Y184 VanDerWaalsContact OG-CE1 3.26Å; S22-Y184 WeakPolarHBondContact OG-CE1 3.47Å
23	Q	76	Confident	78.2	Confident	12 Å²	12	68 Å²	68	6%	0.056	32%	0.315	C	S	.	.	H	α-helix	trans	-65.1	-37.6	-176.8	-71.3	-174.3	-36.4	0	0	112	F19 R20 F26 I27 L57 Y61 F185	F19-Q23 HydrophobicContact CE1-CG 4.2Å; F19-Q23 VanDerWaalsContact CE1-NE2 3.28Å; F19-Q23 HydrophobicContact CZ-CG 4.21Å; F19-Q23 PolarHBondContact O-N 3.24Å; R20-Q23 PolarHBondContact O-N 2.86Å; Q23-F26 PolarHBondContact O-N 3.02Å; Q23-I27 VanDerWaalsContact O-CG1 3.31Å; Q23-I27 WeakPolarHBondContact O-CG1 3.48Å; Q23-I27 PolarHBondContact O-N 3.25Å; Q23-L57 HydrophobicContact CB-CD2 3.89Å; Q23-Y61 PolarHBondContact OE1-OH 3.45Å; Q23-F185 HydrophobicContact CG-CZ 4.4Å
24	L	82.6	Confident	78.5	Confident	82 Å²	82	63 Å²	63	43%	0.429	29%	0.292	S	S	.	.	H	α-helix	trans	-66.8	-41.9	175.6	-168.1	64	0	0	0	111.9	R20 K21 S22 F26 I27 D28	R20-L24 PolarHBondContact O-N 3.28Å; R20-L24 VanDerWaalsContact O-N 3.13Å; K21-L24 PolarHBondContact O-N 3.31Å; S22-L24 VanDerWaalsContact C-N 3.31Å; S22-L24 PolarHBondContact O-N 2.94Å; L24-F26 VanDerWaalsContact C-N 3.31Å; L24-F26 PolarHBondContact O-N 3.22Å; L24-I27 PolarHBondContact O-N 3.03Å; L24-D28 VanDerWaalsContact O-CG 3.25Å; L24-D28 PolarHBondContact O-N 3.36Å
25	D	80.9	Confident	78.9	Confident	58 Å²	58	59.7 Å²	59.7	31%	0.31	29%	0.285	S	S	.	.	H	α-helix	trans	-61.2	-39.7	174.3	-174.1	70.5	0	0	0	111.8	K21 S22 D28 K29	K21-D25 WeakPolarHBondContact O-CB 3.36Å; K21-D25 PolarHBondContact O-N 3.17Å; S22-D25 PolarHBondContact O-N 3.09Å; D25-D28 PolarHBondContact O-N 3.39Å; D25-K29 WeakPolarHBondContact O-CG 3.37Å; D25-K29 PolarHBondContact O-N 3.46Å; D25-K29 WeakPolarHBondContact OD2-CE 3.02Å; D25-K29 IonicContact OD2-NZ 2.73Å; D25-K29 PolarHBondContact OD2-NZ 3.44Å
26	F	79.9	Confident	79.4	Confident	28 Å²	28	62.4 Å²	62.4	12%	0.123	30%	0.303	C	S	.	.	H	α-helix	trans	-62.3	-46.8	173.5	174.2	-95.5	0	0	0	111.9	S22 Q23 L24 D28 K29 L30 P180 L182 I275	S22-F26 PolarHBondContact O-N 3.31Å; Q23-F26 PolarHBondContact O-N 3.02Å; L24-F26 VanDerWaalsContact C-N 3.31Å; L24-F26 PolarHBondContact O-N 3.22Å; F26-D28 VanDerWaalsContact C-N 3.29Å; F26-D28 PolarHBondContact O-N 3.24Å; F26-K29 PolarHBondContact O-N 3.05Å; F26-L30 HydrophobicContact CE1-CD2 4.29Å; F26-L30 WeakPolarHBondContact O-CB 3.27Å; F26-L30 PolarHBondContact O-N 3.18Å; F26-P180 HydrophobicContact CD2-CG 4.11Å; F26-P180 HydrophobicContact CE2-CG 3.93Å; F26-L182 HydrophobicContact CE2-CD1 4.06Å; F26-L182 HydrophobicContact CE2-CG 4.16Å; F26-I275 HydrophobicContact CE1-CD1 3.89Å; F26-I275 HydrophobicContact CZ-CD1 4.22Å
27	I	85.7	Confident	79.4	Confident	13 Å²	13	61.3 Å²	61.3	7%	0.067	30%	0.297	C	S	.	.	H	α-helix	trans	-60.9	-40.2	177.5	-72	170.9	0	0	0	110.9	Q23 L24 L30 H31 I50 R54 L57	Q23-I27 VanDerWaalsContact O-CG1 3.31Å; Q23-I27 WeakPolarHBondContact O-CG1 3.48Å; Q23-I27 PolarHBondContact O-N 3.25Å; L24-I27 PolarHBondContact O-N 3.03Å; I27-L30 PolarHBondContact O-N 3.23Å; I27-H31 WeakPolarHBondContact O-CB 3.39Å; I27-H31 PolarHBondContact O-N 3Å; I27-I50 HydrophobicContact CG2-CD1 4.25Å; I27-I50 HydrophobicContact CG2-CG2 3.72Å; I27-R54 HydrophobicContact CD1-CG 4.21Å; I27-R54 HydrophobicContact CG2-CG 3.93Å; I27-L57 HydrophobicContact CD1-CD2 3.87Å
28	D	86.8	Confident	79.1	Confident	68 Å²	68	60.6 Å²	60.6	36%	0.364	31%	0.305	S	S	.	.	H	α-helix	trans	-66.9	-41.3	178.6	-69.7	-10.8	0	0	0	111.6	L24 D25 F26 H31 A32 R54	L24-D28 VanDerWaalsContact O-CG 3.25Å; L24-D28 PolarHBondContact O-N 3.36Å; D25-D28 PolarHBondContact O-N 3.39Å; F26-D28 VanDerWaalsContact C-N 3.29Å; F26-D28 PolarHBondContact O-N 3.24Å; D28-H31 WeakPolarHBondContact O-CB 3.44Å; D28-H31 PolarHBondContact O-N 3.4Å; D28-A32 PolarHBondContact O-N 2.99Å; D28-R54 IonicContact OD1-CZ 3.57Å; D28-R54 IonicContact OD1-NH2 3.4Å; D28-R54 PolarHBondContact OD1-NH2 3.22Å
29	K	85.4	Confident	78.9	Confident	82 Å²	82	56.3 Å²	56.3	36%	0.357	29%	0.293	S	S	.	.	H	α-helix	trans	-64.7	-41.8	172.8	-73.8	168.5	175.1	163.3	0	111.8	D25 F26 A32 T33 P180	D25-K29 WeakPolarHBondContact O-CG 3.37Å; D25-K29 PolarHBondContact O-N 3.46Å; D25-K29 WeakPolarHBondContact OD2-CE 3.02Å; D25-K29 IonicContact OD2-NZ 2.73Å; D25-K29 PolarHBondContact OD2-NZ 3.44Å; F26-K29 PolarHBondContact O-N 3.05Å; K29-A32 PolarHBondContact O-N 3.13Å; K29-T33 PolarHBondContact O-N 3.45Å; K29-T33 PolarHBondContact O-OG1 3.03Å; K29-T33 VanDerWaalsContact O-OG1 3.11Å; K29-P180 HydrophobicContact CB-CB 3.77Å; K29-P180 HydrophobicContact CB-CG 3.76Å; K29-P180 HydrophobicContact CD-CB 4.06Å; K29-P180 HydrophobicContact CG-CB 4.46Å
30	L	83.5	Confident	78.7	Confident	4 Å²	4	54.8 Å²	54.8	2%	0.021	29%	0.286	C	S	.	.	H	α-helix	trans	-60.5	-46	175.6	-178.9	65.9	0	0	0	110.7	F26 I27 A32 T33 L34 I50 L53 L179 I275	F26-L30 HydrophobicContact CE1-CD2 4.29Å; F26-L30 WeakPolarHBondContact O-CB 3.27Å; F26-L30 PolarHBondContact O-N 3.18Å; I27-L30 PolarHBondContact O-N 3.23Å; L30-A32 VanDerWaalsContact C-N 3.32Å; L30-A32 PolarHBondContact O-N 3.1Å; L30-T33 PolarHBondContact O-N 2.89Å; L30-L34 HydrophobicContact CD1-CD1 4.01Å; L30-L34 HydrophobicContact CD1-CD2 4.38Å; L30-L34 HydrophobicContact CD1-CG 4.01Å; L30-L34 HydrophobicContact CD2-CD1 4.45Å; L30-L34 HydrophobicContact CG-CD1 3.83Å; L30-L34 HydrophobicContact CG-CG 4.22Å; L30-L34 WeakPolarHBondContact O-CB 3.42Å; L30-L34 VanDerWaalsContact O-CG 3.24Å; L30-L34 WeakPolarHBondContact O-CG 3.32Å; L30-L34 PolarHBondContact O-N 2.98Å; L30-I50 HydrophobicContact CB-CD1 4.46Å; L30-I50 HydrophobicContact CD2-CD1 4.1Å; L30-I50 HydrophobicContact CG-CD1 4.18Å; L30-L53 HydrophobicContact CD2-CD1 3.95Å; L30-L179 HydrophobicContact CD1-CD2 3.51Å; L30-I275 HydrophobicContact CD2-CD1 4.19Å
31	H	86.9	Confident	77.8	Confident	49 Å²	49	54.8 Å²	54.8	23%	0.227	31%	0.309	C	S	.	.	H	α-helix	trans	-54.7	-48.9	174.5	-177.8	-109.6	0	0	0	111.1	I27 D28 T33 L34 L35 D47 I50	I27-H31 WeakPolarHBondContact O-CB 3.39Å; I27-H31 PolarHBondContact O-N 3Å; D28-H31 WeakPolarHBondContact O-CB 3.44Å; D28-H31 PolarHBondContact O-N 3.4Å; H31-T33 PolarHBondContact O-N 3.49Å; H31-L34 PolarHBondContact O-N 3.47Å; H31-L35 VanDerWaalsContact O-CB 3.26Å; H31-L35 WeakPolarHBondContact O-CB 3.41Å; H31-L35 PolarHBondContact O-N 3.05Å; H31-D47 IonicContact CD2-OD1 3.68Å; H31-D47 IonicContact CE1-OD1 3.65Å; H31-D47 IonicContact NE2-OD1 2.72Å; H31-D47 PolarHBondContact NE2-OD1 2.95Å; H31-I50 HydrophobicContact CB-CD1 4.06Å; H31-I50 HydrophobicContact CB-CG1 3.76Å; H31-I50 HydrophobicContact CB-CG2 4.34Å
32	A	85.6	Confident	77.5	Confident	44 Å²	44	49 Å²	49	36%	0.364	29%	0.293	S	S	.	.	H	α-helix	trans	-61.9	-42.7	177.7	0	0	0	0	0	112.3	D28 K29 L30 N36	D28-A32 PolarHBondContact O-N 2.99Å; K29-A32 PolarHBondContact O-N 3.13Å; L30-A32 VanDerWaalsContact C-N 3.32Å; L30-A32 PolarHBondContact O-N 3.1Å; A32-N36 PolarHBondContact O-N 3.32Å; A32-N36 PolarHBondContact O-ND2 2.96Å
33	T	80	Confident	77.8	Confident	40 Å²	40	51.2 Å²	51.2	25%	0.245	31%	0.311	C	S	.	.	H	α-helix	trans	-63.3	-47.1	177.6	-64.3	0	0	0	0	111.5	K29 L30 H31 N36 H37 V178	K29-T33 PolarHBondContact O-N 3.45Å; K29-T33 PolarHBondContact O-OG1 3.03Å; K29-T33 VanDerWaalsContact O-OG1 3.11Å; L30-T33 PolarHBondContact O-N 2.89Å; H31-T33 PolarHBondContact O-N 3.49Å; T33-N36 PolarHBondContact O-N 3.4Å; T33-H37 PolarHBondContact O-N 3.28Å; T33-V178 WeakPolarHBondContact CG2-O 3.22Å
34	L	79.3	Confident	78.2	Confident	8 Å²	8	56.3 Å²	56.3	4%	0.042	34%	0.344	C	S	.	.	H	α-helix	trans	-69.1	-38.8	-177.5	-64.8	176.5	0	0	0	112	L30 H31 N36 H37 F40 V46 L49 I50	L30-L34 HydrophobicContact CD1-CD1 4.01Å; L30-L34 HydrophobicContact CD1-CD2 4.38Å; L30-L34 HydrophobicContact CD1-CG 4.01Å; L30-L34 HydrophobicContact CD2-CD1 4.45Å; L30-L34 HydrophobicContact CG-CD1 3.83Å; L30-L34 HydrophobicContact CG-CG 4.22Å; L30-L34 WeakPolarHBondContact O-CB 3.42Å; L30-L34 VanDerWaalsContact O-CG 3.24Å; L30-L34 WeakPolarHBondContact O-CG 3.32Å; L30-L34 PolarHBondContact O-N 2.98Å; H31-L34 PolarHBondContact O-N 3.47Å; L34-N36 PolarHBondContact O-N 3.34Å; L34-H37 WeakPolarHBondContact O-CB 3.37Å; L34-H37 PolarHBondContact O-N 3.01Å; L34-F40 HydrophobicContact CB-CD2 4.26Å; L34-F40 HydrophobicContact CB-CE2 4.22Å; L34-F40 HydrophobicContact CD2-CD2 4.24Å; L34-F40 HydrophobicContact CD2-CE2 3.39Å; L34-F40 HydrophobicContact CD2-CZ 3.65Å; L34-F40 HydrophobicContact CG-CE2 4.33Å; L34-F40 WeakPolarHBondContact O-CD2 3.45Å; L34-V46 HydrophobicContact CB-CG1 3.67Å; L34-V46 HydrophobicContact CB-CG2 4.24Å; L34-V46 HydrophobicContact CD1-CG1 4.39Å; L34-L49 HydrophobicContact CD1-CD2 3.68Å; L34-I50 HydrophobicContact CD1-CD1 4.5Å
35	L	82.9	Confident	77.8	Confident	87 Å²	87	56.4 Å²	56.4	46%	0.455	34%	0.342	S	S	.	.	H	α-helix	trans	-64.8	-28.6	177.9	-162.3	75	0	0	0	112.5	H31 A43 V46	H31-L35 VanDerWaalsContact O-CB 3.26Å; H31-L35 WeakPolarHBondContact O-CB 3.41Å; H31-L35 PolarHBondContact O-N 3.05Å; L35-A43 HydrophobicContact CD1-CB 3.85Å; L35-V46 HydrophobicContact CD1-CB 4.46Å
36	N	78.7	Confident	77.8	Confident	137 Å²	137	53.7 Å²	53.7	73%	0.733	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.3	-4.9	175.9	-71.2	-56.3	0	0	0	113.3	A32 T33 L34	A32-N36 PolarHBondContact O-N 3.32Å; A32-N36 PolarHBondContact O-ND2 2.96Å; T33-N36 PolarHBondContact O-N 3.4Å; L34-N36 PolarHBondContact O-N 3.34Å
37	H	70.9	Confident	78.1	Confident	22 Å²	22	55.7 Å²	55.7	10%	0.102	34%	0.339	C	S	.	.	S	Bend	trans	-89	128.7	-175.3	-170.7	-96.1	0	0	0	111.3	T33 L34 C39 F40 I177	T33-H37 PolarHBondContact O-N 3.28Å; L34-H37 WeakPolarHBondContact O-CB 3.37Å; L34-H37 PolarHBondContact O-N 3.01Å; H37-C39 PolarHBondContact CE1-SG 2.97Å; H37-C39 WeakPolarHBondContact ND1-CB 3.29Å; H37-C39 PolarHBondContact ND1-N 3.19Å; H37-C39 PolarHBondContact O-N 3.18Å; H37-F40 HydrophobicContact CB-CD2 4.07Å; H37-F40 HydrophobicContact CB-CE2 4.44Å; H37-F40 PolarHBondContact O-N 3.44Å; H37-I177 WeakPolarHBondContact NE2-CG1 3.3Å
38	P	69.6	Low	78	Confident	122 Å²	122	57.5 Å²	57.5	79%	0.792	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-20.6	-172.7	-22.5	31.3	0	0	0	115
39	C	66.4	Low	77.7	Confident	33 Å²	33	57 Å²	57	22%	0.223	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-13.4	-175.8	-60.7	0	0	0	0	115	H37 F286	H37-C39 PolarHBondContact CE1-SG 2.97Å; H37-C39 WeakPolarHBondContact ND1-CB 3.29Å; H37-C39 PolarHBondContact ND1-N 3.19Å; H37-C39 PolarHBondContact O-N 3.18Å; C39-F286 HydrophobicContact CB-CD1 3.45Å; C39-F286 VanDerWaalsContact CB-CD1 3.45Å; C39-F286 HydrophobicContact CB-CE1 3.73Å
40	F	65.1	Low	77.7	Confident	32 Å²	32	53.2 Å²	53.2	14%	0.14	34%	0.336	C	S	.	.			trans	-90.3	114.4	176.5	-69	-81.8	0	0	0	109.1	L34 H37 G42 V46	L34-F40 HydrophobicContact CB-CD2 4.26Å; L34-F40 HydrophobicContact CB-CE2 4.22Å; L34-F40 HydrophobicContact CD2-CD2 4.24Å; L34-F40 HydrophobicContact CD2-CE2 3.39Å; L34-F40 HydrophobicContact CD2-CZ 3.65Å; L34-F40 HydrophobicContact CG-CE2 4.33Å; L34-F40 WeakPolarHBondContact O-CD2 3.45Å; H37-F40 HydrophobicContact CB-CD2 4.07Å; H37-F40 HydrophobicContact CB-CE2 4.44Å; H37-F40 PolarHBondContact O-N 3.44Å; F40-G42 PolarHBondContact O-N 3.37Å; F40-G42 VanDerWaalsContact O-N 3.16Å; F40-V46 HydrophobicContact CB-CG2 3.61Å; F40-V46 HydrophobicContact CD1-CG2 3.94Å; F40-V46 HydrophobicContact CG-CG2 3.76Å
41	G	58	Low	77.9	Confident	73 Å²	73	55.9 Å²	55.9	75%	0.753	36%	0.356	S	S	*	.			trans	-71.7	-4.4	-170.6	0	0	0	0	0	115.2
42	G	70	Confident	77.7	Confident	31 Å²	31	59 Å²	59	32%	0.32	37%	0.374	S	S	.	.			trans	-179.5	156.1	174.2	0	0	0	0	0	114	F40 T44 E45	F40-G42 PolarHBondContact O-N 3.37Å; F40-G42 VanDerWaalsContact O-N 3.16Å; G42-T44 PolarHBondContact O-N 3Å; G42-E45 PolarHBondContact O-N 2.95Å
43	A	80.1	Confident	77.7	Confident	50 Å²	50	57.6 Å²	57.6	41%	0.413	36%	0.36	S	S	.	.	H	α-helix	trans	-54.8	-35.1	177.5	0	0	0	0	0	112.7	L35 E45 V46 D47	L35-A43 HydrophobicContact CD1-CB 3.85Å; A43-E45 VanDerWaalsContact C-N 3.3Å; A43-E45 PolarHBondContact O-N 3.11Å; A43-V46 PolarHBondContact O-N 2.79Å; A43-D47 VanDerWaalsContact O-CB 3.3Å; A43-D47 WeakPolarHBondContact O-CB 3.29Å; A43-D47 PolarHBondContact O-N 3.27Å
44	T	83	Confident	77.9	Confident	120 Å²	120	60.9 Å²	60.9	74%	0.736	37%	0.368	S	S	*	.	H	α-helix	trans	-57.9	-38.8	-178.8	-46.9	0	0	0	0	113.5	G42 A48	G42-T44 PolarHBondContact O-N 3Å; T44-A48 WeakPolarHBondContact O-CB 3.31Å; T44-A48 PolarHBondContact O-N 2.98Å
45	E	74.9	Confident	78.1	Confident	84 Å²	84	64.1 Å²	64.1	39%	0.393	39%	0.388	S	S	.	.	H	α-helix	trans	-75.3	-43.8	-176.6	-176.7	167	-139.2	0	0	111.2	G42 A43 D47 A48 L49 V285	G42-E45 PolarHBondContact O-N 2.95Å; A43-E45 VanDerWaalsContact C-N 3.3Å; A43-E45 PolarHBondContact O-N 3.11Å; E45-D47 VanDerWaalsContact C-N 3.32Å; E45-D47 PolarHBondContact O-N 2.51Å; E45-A48 PolarHBondContact O-N 3.13Å; E45-L49 PolarHBondContact O-N 2.97Å; E45-V285 VanDerWaalsContact OE1-CG1 3.31Å; E45-V285 WeakPolarHBondContact OE1-CG1 3.41Å
46	V	80.7	Confident	78	Confident	1 Å²	1	63.2 Å²	63.2	1%	0.006	38%	0.382	C	S	.	.	H	α-helix	trans	-61.6	-43.5	173.6	-176.7	0	0	0	0	110.3	L34 L35 F40 A43 A48 L49 I50	L34-V46 HydrophobicContact CB-CG1 3.67Å; L34-V46 HydrophobicContact CB-CG2 4.24Å; L34-V46 HydrophobicContact CD1-CG1 4.39Å; L35-V46 HydrophobicContact CD1-CB 4.46Å; F40-V46 HydrophobicContact CB-CG2 3.61Å; F40-V46 HydrophobicContact CD1-CG2 3.94Å; F40-V46 HydrophobicContact CG-CG2 3.76Å; A43-V46 PolarHBondContact O-N 2.79Å; V46-A48 VanDerWaalsContact C-N 3.35Å; V46-A48 PolarHBondContact O-N 3.42Å; V46-L49 PolarHBondContact O-N 3.46Å; V46-I50 HydrophobicContact CG1-CG1 4.35Å; V46-I50 WeakPolarHBondContact O-CB 3.44Å; V46-I50 VanDerWaalsContact O-CG1 3.3Å; V46-I50 WeakPolarHBondContact O-CG1 3.23Å; V46-I50 PolarHBondContact O-N 3.04Å
47	D	86.2	Confident	78	Confident	70 Å²	70	57.4 Å²	57.4	37%	0.374	35%	0.351	S	S	.	.	H	α-helix	trans	-63.1	-39.9	177.8	-71.9	-21.3	0	0	0	112.2	H31 A43 E45 S51	H31-D47 IonicContact CD2-OD1 3.68Å; H31-D47 IonicContact CE1-OD1 3.65Å; H31-D47 IonicContact NE2-OD1 2.72Å; H31-D47 PolarHBondContact NE2-OD1 2.95Å; A43-D47 VanDerWaalsContact O-CB 3.3Å; A43-D47 WeakPolarHBondContact O-CB 3.29Å; A43-D47 PolarHBondContact O-N 3.27Å; E45-D47 VanDerWaalsContact C-N 3.32Å; E45-D47 PolarHBondContact O-N 2.51Å; D47-S51 VanDerWaalsContact O-CB 3.23Å; D47-S51 WeakPolarHBondContact O-CB 3.41Å; D47-S51 PolarHBondContact O-N 2.9Å; D47-S51 PolarHBondContact O-OG 2.91Å
48	A	84	Confident	78.5	Confident	50 Å²	50	61.1 Å²	61.1	41%	0.413	37%	0.368	S	S	.	.	H	α-helix	trans	-64.8	-44.2	175.8	0	0	0	0	0	111.6	T44 E45 V46 S51 N52	T44-A48 WeakPolarHBondContact O-CB 3.31Å; T44-A48 PolarHBondContact O-N 2.98Å; E45-A48 PolarHBondContact O-N 3.13Å; V46-A48 VanDerWaalsContact C-N 3.35Å; V46-A48 PolarHBondContact O-N 3.42Å; A48-S51 PolarHBondContact O-N 3.36Å; A48-N52 PolarHBondContact O-N 3.28Å; A48-N52 PolarHBondContact O-ND2 3.4Å
49	L	79.5	Confident	78.9	Confident	57 Å²	57	59 Å²	59	30%	0.298	35%	0.35	S	S	.	.	H	α-helix	trans	-60	-50.5	176.2	177.4	66	0	0	0	111.4	L34 E45 V46 S51 N52 L53	L34-L49 HydrophobicContact CD1-CD2 3.68Å; E45-L49 PolarHBondContact O-N 2.97Å; V46-L49 PolarHBondContact O-N 3.46Å; L49-S51 VanDerWaalsContact C-N 3.3Å; L49-S51 PolarHBondContact O-N 3.21Å; L49-N52 PolarHBondContact O-N 2.9Å; L49-L53 HydrophobicContact CG-CD1 4.31Å; L49-L53 PolarHBondContact O-N 2.9Å
50	I	86.6	Confident	79.2	Confident	3 Å²	3	60 Å²	60	2%	0.015	35%	0.353	C	S	.	.	H	α-helix	trans	-64.5	-36.3	179.5	-67.5	-55.7	0	0	0	111.5	I27 L30 H31 L34 V46 L53 R54	I27-I50 HydrophobicContact CG2-CD1 4.25Å; I27-I50 HydrophobicContact CG2-CG2 3.72Å; L30-I50 HydrophobicContact CB-CD1 4.46Å; L30-I50 HydrophobicContact CD2-CD1 4.1Å; L30-I50 HydrophobicContact CG-CD1 4.18Å; H31-I50 HydrophobicContact CB-CD1 4.06Å; H31-I50 HydrophobicContact CB-CG1 3.76Å; H31-I50 HydrophobicContact CB-CG2 4.34Å; L34-I50 HydrophobicContact CD1-CD1 4.5Å; V46-I50 HydrophobicContact CG1-CG1 4.35Å; V46-I50 WeakPolarHBondContact O-CB 3.44Å; V46-I50 VanDerWaalsContact O-CG1 3.3Å; V46-I50 WeakPolarHBondContact O-CG1 3.23Å; V46-I50 PolarHBondContact O-N 3.04Å; I50-L53 HydrophobicContact CD1-CD1 4.17Å; I50-L53 PolarHBondContact O-N 3.45Å; I50-R54 WeakPolarHBondContact O-CG 3.38Å; I50-R54 PolarHBondContact O-N 3.5Å
51	S	86.4	Confident	79.4	Confident	61 Å²	61	60.2 Å²	60.2	43%	0.427	35%	0.353	S	S	.	.	H	α-helix	trans	-64.7	-41	175.1	-62.9	0	0	0	0	112.4	D47 A48 L49 R54 T55	D47-S51 VanDerWaalsContact O-CB 3.23Å; D47-S51 WeakPolarHBondContact O-CB 3.41Å; D47-S51 PolarHBondContact O-N 2.9Å; D47-S51 PolarHBondContact O-OG 2.91Å; A48-S51 PolarHBondContact O-N 3.36Å; L49-S51 VanDerWaalsContact C-N 3.3Å; L49-S51 PolarHBondContact O-N 3.21Å; S51-R54 PolarHBondContact O-N 3.36Å; S51-T55 WeakPolarHBondContact O-CB 3.06Å; S51-T55 PolarHBondContact O-N 2.95Å; S51-T55 PolarHBondContact O-OG1 3.46Å
52	N	84.6	Confident	80.1	Confident	113 Å²	113	62.4 Å²	62.4	60%	0.604	34%	0.339	S	S	*	.	H	α-helix	trans	-64.1	-47.3	175.6	-75	-21.1	0	0	0	111.3	A48 L49 R54 T55 E56	A48-N52 PolarHBondContact O-N 3.28Å; A48-N52 PolarHBondContact O-ND2 3.4Å; L49-N52 PolarHBondContact O-N 2.9Å; N52-R54 VanDerWaalsContact C-N 3.34Å; N52-R54 PolarHBondContact O-N 3.35Å; N52-T55 PolarHBondContact O-N 2.77Å; N52-T55 VanDerWaalsContact O-N 3.11Å; N52-E56 PolarHBondContact O-N 3.11Å
53	L	83.7	Confident	79.8	Confident	16 Å²	16	65.7 Å²	65.7	8%	0.084	35%	0.353	C	S	.	.	H	α-helix	trans	-58.3	-44.3	177.1	-74.6	169.8	0	0	0	112.1	L30 L49 I50 T55 E56 L57 L274	L30-L53 HydrophobicContact CD2-CD1 3.95Å; L49-L53 HydrophobicContact CG-CD1 4.31Å; L49-L53 PolarHBondContact O-N 2.9Å; I50-L53 HydrophobicContact CD1-CD1 4.17Å; I50-L53 PolarHBondContact O-N 3.45Å; L53-T55 VanDerWaalsContact C-N 3.33Å; L53-T55 PolarHBondContact O-N 2.7Å; L53-E56 PolarHBondContact O-N 3.5Å; L53-L57 VanDerWaalsContact O-CB 3.29Å; L53-L57 WeakPolarHBondContact O-CB 3.42Å; L53-L57 PolarHBondContact O-N 3.48Å; L53-L274 HydrophobicContact CD2-CD2 3.91Å
54	R	86.2	Confident	78.7	Confident	108 Å²	108	66.3 Å²	66.3	41%	0.408	35%	0.349	S	S	.	.	H	α-helix	trans	-63	-39.2	175.4	-75.3	-179.4	174.1	164.4	-2.4	112.5	I27 D28 I50 S51 N52 L57 E58	I27-R54 HydrophobicContact CD1-CG 4.21Å; I27-R54 HydrophobicContact CG2-CG 3.93Å; D28-R54 IonicContact OD1-CZ 3.57Å; D28-R54 IonicContact OD1-NH2 3.4Å; D28-R54 PolarHBondContact OD1-NH2 3.22Å; I50-R54 WeakPolarHBondContact O-CG 3.38Å; I50-R54 PolarHBondContact O-N 3.5Å; S51-R54 PolarHBondContact O-N 3.36Å; N52-R54 VanDerWaalsContact C-N 3.34Å; N52-R54 PolarHBondContact O-N 3.35Å; R54-L57 PolarHBondContact O-N 3Å; R54-E58 WeakPolarHBondContact O-CB 3.26Å; R54-E58 PolarHBondContact O-N 3.06Å
55	T	83.5	Confident	77.5	Confident	76 Å²	76	65.8 Å²	65.8	47%	0.466	34%	0.338	S	S	.	.	H	α-helix	trans	-69.1	-43.1	-179.5	-57.3	0	0	0	0	111.5	S51 N52 L53 L57 E58 N59	S51-T55 WeakPolarHBondContact O-CB 3.06Å; S51-T55 PolarHBondContact O-N 2.95Å; S51-T55 PolarHBondContact O-OG1 3.46Å; N52-T55 PolarHBondContact O-N 2.77Å; N52-T55 VanDerWaalsContact O-N 3.11Å; L53-T55 VanDerWaalsContact C-N 3.33Å; L53-T55 PolarHBondContact O-N 2.7Å; T55-L57 VanDerWaalsContact C-N 3.32Å; T55-E58 PolarHBondContact O-N 3.01Å; T55-N59 PolarHBondContact O-N 2.95Å; T55-N59 PolarHBondContact O-ND2 3.39Å
56	E	78.9	Confident	76.3	Confident	68 Å²	68	69.3 Å²	69.3	32%	0.318	35%	0.349	S	S	.	.	H	α-helix	trans	-61.3	-44.2	174.9	-173.5	173.8	178.1	0	0	111	N52 L53 E58 N59 D60 L274	N52-E56 PolarHBondContact O-N 3.11Å; L53-E56 PolarHBondContact O-N 3.5Å; E56-E58 PolarHBondContact O-N 2.98Å; E56-N59 WeakPolarHBondContact O-CB 2.75Å; E56-N59 PolarHBondContact O-N 2.63Å; E56-D60 PolarHBondContact O-N 3.3Å; E56-L274 WeakPolarHBondContact OE1-CD1 3.36Å
57	L	79.8	Confident	74.9	Confident	15 Å²	15	71.5 Å²	71.5	8%	0.079	37%	0.368	C	S	.	.	H	α-helix	trans	-60.4	-45.2	176.6	-171.3	68.7	0	0	0	112.4	Q23 I27 L53 R54 T55 N59 D60 Y61	Q23-L57 HydrophobicContact CB-CD2 3.89Å; I27-L57 HydrophobicContact CD1-CD2 3.87Å; L53-L57 VanDerWaalsContact O-CB 3.29Å; L53-L57 WeakPolarHBondContact O-CB 3.42Å; L53-L57 PolarHBondContact O-N 3.48Å; R54-L57 PolarHBondContact O-N 3Å; T55-L57 VanDerWaalsContact C-N 3.32Å; L57-N59 VanDerWaalsContact C-N 3.32Å; L57-N59 PolarHBondContact O-N 2.97Å; L57-D60 PolarHBondContact O-N 3Å; L57-Y61 HydrophobicContact CD1-CD2 4.43Å; L57-Y61 HydrophobicContact CD1-CE2 3.7Å; L57-Y61 HydrophobicContact CD2-CE2 3.96Å; L57-Y61 HydrophobicContact CG-CD2 4Å; L57-Y61 HydrophobicContact CG-CE2 3.5Å; L57-Y61 WeakPolarHBondContact O-CD2 3.43Å; L57-Y61 PolarHBondContact O-N 3.24Å; L57-Y61 VanDerWaalsContact O-N 3.11Å
58	E	81.6	Confident	73.2	Confident	101 Å²	101	69.7 Å²	69.7	47%	0.472	37%	0.365	S	S	.	.	H	α-helix	trans	-62.3	-37.9	176.1	-178.8	59.5	-152.1	0	0	112.2	R54 T55 E56 Y61 R62	R54-E58 WeakPolarHBondContact O-CB 3.26Å; R54-E58 PolarHBondContact O-N 3.06Å; T55-E58 PolarHBondContact O-N 3.01Å; E56-E58 PolarHBondContact O-N 2.98Å; E58-Y61 PolarHBondContact O-N 3.37Å; E58-R62 WeakPolarHBondContact O-CB 3.38Å; E58-R62 PolarHBondContact O-N 2.94Å; E58-R62 IonicContact OE1-NH2 3.79Å
59	N	77.4	Confident	71.5	Confident	76 Å²	76	72.8 Å²	72.8	41%	0.406	37%	0.371	S	S	.	.	H	α-helix	trans	-66	-38.9	176.2	-69.9	-28.1	0	0	0	112	T55 E56 L57 Y61 R62 T63	T55-N59 PolarHBondContact O-N 2.95Å; T55-N59 PolarHBondContact O-ND2 3.39Å; E56-N59 WeakPolarHBondContact O-CB 2.75Å; E56-N59 PolarHBondContact O-N 2.63Å; L57-N59 VanDerWaalsContact C-N 3.32Å; L57-N59 PolarHBondContact O-N 2.97Å; N59-Y61 VanDerWaalsContact C-N 3.33Å; N59-R62 PolarHBondContact O-N 3.47Å; N59-T63 WeakPolarHBondContact O-CB 3.42Å; N59-T63 PolarHBondContact O-N 2.9Å; N59-T63 PolarHBondContact O-OG1 2.91Å
60	D	72.1	Confident	70	Confident	55 Å²	55	73.3 Å²	73.3	29%	0.294	38%	0.379	S	S	.	.	H	α-helix	trans	-64.9	-37.4	176.1	-84.6	-11	0	0	0	112.2	E56 L57 N64 H271	E56-D60 PolarHBondContact O-N 3.3Å; L57-D60 PolarHBondContact O-N 3Å; D60-N64 PolarHBondContact O-N 3.38Å; D60-H271 IonicContact OD2-CE1 2.63Å; D60-H271 PolarHBondContact OD2-CE1 3.22Å; D60-H271 IonicContact OD2-NE2 3.73Å
61	Y	70.5	Confident	68	Low	36 Å²	36	78.5 Å²	78.5	14%	0.141	41%	0.407	C	S	.	.	H	α-helix	trans	-68.1	-44.5	174.4	-76.2	-58.9	0	0	0	112.6	F19 R20 Q23 L57 E58 N59 T63 N64 E65	F19-Y61 HydrophobicContact CD1-CE1 4.48Å; F19-Y61 WeakPolarHBondContact CD1-OH 3.37Å; F19-Y61 WeakPolarHBondContact CE1-OH 3.49Å; R20-Y61 WeakPolarHBondContact CA-OH 3.38Å; R20-Y61 HydrophobicContact CG-CD1 3.89Å; R20-Y61 HydrophobicContact CG-CD2 4.14Å; R20-Y61 HydrophobicContact CG-CE1 3.3Å; R20-Y61 HydrophobicContact CG-CE2 3.57Å; R20-Y61 HydrophobicContact CG-CG 4.3Å; R20-Y61 VanDerWaalsContact CG-OH 3.27Å; R20-Y61 WeakPolarHBondContact CG-OH 3.3Å; Q23-Y61 PolarHBondContact OE1-OH 3.45Å; L57-Y61 HydrophobicContact CD1-CD2 4.43Å; L57-Y61 HydrophobicContact CD1-CE2 3.7Å; L57-Y61 HydrophobicContact CD2-CE2 3.96Å; L57-Y61 HydrophobicContact CG-CD2 4Å; L57-Y61 HydrophobicContact CG-CE2 3.5Å; L57-Y61 WeakPolarHBondContact O-CD2 3.43Å; L57-Y61 PolarHBondContact O-N 3.24Å; L57-Y61 VanDerWaalsContact O-N 3.11Å; E58-Y61 PolarHBondContact O-N 3.37Å; N59-Y61 VanDerWaalsContact C-N 3.33Å; Y61-T63 VanDerWaalsContact C-N 3.29Å; Y61-T63 PolarHBondContact O-N 2.73Å; Y61-N64 WeakPolarHBondContact O-CB 3.2Å; Y61-N64 PolarHBondContact O-N 3.5Å; Y61-E65 PolarHBondContact O-N 2.97Å
62	R	72.3	Confident	66.1	Low	119 Å²	119	80.5 Å²	80.5	45%	0.449	41%	0.412	S	S	.	.	H	α-helix	trans	-62	-39.6	178.6	-169.7	177	-51.2	-176	7.8	112.3	E58 N59 N64 E65 Y66	E58-R62 WeakPolarHBondContact O-CB 3.38Å; E58-R62 PolarHBondContact O-N 2.94Å; E58-R62 IonicContact OE1-NH2 3.79Å; N59-R62 PolarHBondContact O-N 3.47Å; R62-N64 PolarHBondContact O-N 3.39Å; R62-E65 PolarHBondContact O-N 3.34Å; R62-Y66 HydrophobicContact CG-CD2 4.01Å; R62-Y66 HydrophobicContact CG-CE2 3.69Å; R62-Y66 VanDerWaalsContact O-CD2 3.3Å; R62-Y66 WeakPolarHBondContact O-CD2 3.48Å; R62-Y66 PolarHBondContact O-N 3.45Å
63	T	64	Low	64.2	Low	100 Å²	100	82.1 Å²	82.1	61%	0.613	42%	0.417	S	S	*	.	H	α-helix	trans	-61.5	-28.5	177	-55.6	0	0	0	0	111.6	N59 Y61	N59-T63 WeakPolarHBondContact O-CB 3.42Å; N59-T63 PolarHBondContact O-N 2.9Å; N59-T63 PolarHBondContact O-OG1 2.91Å; Y61-T63 VanDerWaalsContact C-N 3.29Å; Y61-T63 PolarHBondContact O-N 2.73Å
64	N	57.1	Low	62.5	Low	63 Å²	63	84.1 Å²	84.1	34%	0.337	43%	0.432	S	S	.	.	H	α-helix	trans	-77.4	-36.1	176	-161.8	48.5	0	0	0	113.1	E16 D60 Y61 R62 A67 G68	E16-N64 PolarHBondContact OE1-ND2 3.5Å; D60-N64 PolarHBondContact O-N 3.38Å; Y61-N64 WeakPolarHBondContact O-CB 3.2Å; Y61-N64 PolarHBondContact O-N 3.5Å; R62-N64 PolarHBondContact O-N 3.39Å; N64-A67 PolarHBondContact O-N 3Å; N64-G68 PolarHBondContact O-N 3.46Å
65	E	57.5	Low	60.6	Low	109 Å²	109	83.7 Å²	83.7	51%	0.509	44%	0.437	S	S	.	.	H	α-helix	trans	-66.3	-41.8	178.8	-73.3	-174.5	164.9	0	0	111.8	R20 Y61 R62 A67 G68 E69	R20-E65 IonicContact NH1-OE1 3.79Å; Y61-E65 PolarHBondContact O-N 2.97Å; R62-E65 PolarHBondContact O-N 3.34Å; E65-A67 VanDerWaalsContact C-N 3.28Å; E65-A67 PolarHBondContact O-N 2.89Å; E65-G68 PolarHBondContact O-N 3Å; E65-E69 WeakPolarHBondContact O-CG 3.48Å; E65-E69 PolarHBondContact O-N 3.12Å; E65-E69 VanDerWaalsContact O-N 3.08Å
66	Y	49.6	Very low	58.9	Low	159 Å²	159	87.3 Å²	87.3	62%	0.624	45%	0.448	S	S	*	.	H	α-helix	trans	-64.6	-29.9	175.3	-78.1	-73.1	0	0	0	113.5	R62 S70	R62-Y66 HydrophobicContact CG-CD2 4.01Å; R62-Y66 HydrophobicContact CG-CE2 3.69Å; R62-Y66 VanDerWaalsContact O-CD2 3.3Å; R62-Y66 WeakPolarHBondContact O-CD2 3.48Å; R62-Y66 PolarHBondContact O-N 3.45Å; Y66-S70 PolarHBondContact O-N 3.29Å
67	A	51.3	Low	57.4	Low	47 Å²	47	87.8 Å²	87.8	39%	0.388	46%	0.459	S	S	.	.	H	α-helix	trans	-69.6	-39.5	175.1	0	0	0	0	0	111.5	N64 E65 S70 L71	N64-A67 PolarHBondContact O-N 3Å; E65-A67 VanDerWaalsContact C-N 3.28Å; E65-A67 PolarHBondContact O-N 2.89Å; A67-S70 PolarHBondContact O-OG 3.44Å; A67-L71 PolarHBondContact O-N 3.19Å
68	G	51.5	Low	55.9	Low	31 Å²	31	92.5 Å²	92.5	32%	0.32	48%	0.484	S	S	.	.	H	α-helix	trans	-67.3	-37.1	176.3	0	0	0	0	0	113.5	N64 E65 L71 N72	N64-G68 PolarHBondContact O-N 3.46Å; E65-G68 PolarHBondContact O-N 3Å; G68-L71 PolarHBondContact O-N 3.24Å; G68-N72 PolarHBondContact O-N 3.41Å; G68-N72 VanDerWaalsContact O-N 3.15Å; G68-N72 PolarHBondContact O-ND2 2.92Å
69	E	47.8	Very low	54.4	Low	115 Å²	115	93.3 Å²	93.3	54%	0.537	49%	0.492	S	S	.	.	H	α-helix	trans	-65.4	-42	176.6	-70.9	176.8	173.3	0	0	112.1	E65 L71 N72 E73	E65-E69 WeakPolarHBondContact O-CG 3.48Å; E65-E69 PolarHBondContact O-N 3.12Å; E65-E69 VanDerWaalsContact O-N 3.08Å; E69-L71 VanDerWaalsContact C-N 3.28Å; E69-L71 PolarHBondContact O-N 3.1Å; E69-N72 PolarHBondContact O-N 3.43Å; E69-E73 PolarHBondContact O-N 2.79Å
70	S	48.6	Very low	52.8	Low	68 Å²	68	97.3 Å²	97.3	48%	0.476	51%	0.512	S	S	.	.	H	α-helix	trans	-63.4	-32.4	177.7	76.5	0	0	0	0	113.5	Y66 A67 S74	Y66-S70 PolarHBondContact O-N 3.29Å; A67-S70 PolarHBondContact O-OG 3.44Å; S70-S74 WeakPolarHBondContact O-CB 3.42Å; S70-S74 PolarHBondContact O-N 3.35Å
71	L	44.3	Very low	51.5	Low	112 Å²	112	100.1 Å²	100.1	59%	0.586	54%	0.536	S	S	*	.	H	α-helix	trans	-75.2	-39.1	177.3	-69	175.8	0	0	0	111.6	A67 G68 E69 S74 I75	A67-L71 PolarHBondContact O-N 3.19Å; G68-L71 PolarHBondContact O-N 3.24Å; E69-L71 VanDerWaalsContact C-N 3.28Å; E69-L71 PolarHBondContact O-N 3.1Å; L71-S74 PolarHBondContact O-N 3.01Å; L71-I75 VanDerWaalsContact O-CG1 3.26Å; L71-I75 WeakPolarHBondContact O-CG1 3.35Å; L71-I75 PolarHBondContact O-N 3.14Å
72	N	46.7	Very low	50.1	Low	103 Å²	103	103.2 Å²	103.2	55%	0.551	57%	0.569	S	S	*	*	H	α-helix	trans	-66.4	-38	176.6	-75.6	-26.2	0	0	0	112.3	G68 E69 I75 Q76	G68-N72 PolarHBondContact O-N 3.41Å; G68-N72 VanDerWaalsContact O-N 3.15Å; G68-N72 PolarHBondContact O-ND2 2.92Å; E69-N72 PolarHBondContact O-N 3.43Å; N72-I75 PolarHBondContact O-N 3.14Å; N72-Q76 PolarHBondContact O-N 2.72Å; N72-Q76 VanDerWaalsContact O-N 3.1Å
73	E	44.3	Very low	48.6	Very low	148 Å²	148	101.7 Å²	101.7	69%	0.692	58%	0.583	S	S	*	*	H	α-helix	trans	-68.2	-38.1	175.8	-159.4	171.8	-161.2	0	0	111.6	E69 Q76 S77	E69-E73 PolarHBondContact O-N 2.79Å; E73-Q76 PolarHBondContact O-N 3.46Å; E73-S77 PolarHBondContact O-N 3.29Å
74	S	47.8	Very low	47.5	Very low	58 Å²	58	103.6 Å²	103.6	41%	0.406	59%	0.594	S	S	.	*	H	α-helix	trans	-66.3	-39.7	175.1	-167.1	0	0	0	0	112.4	S70 L71 S77 N78	S70-S74 WeakPolarHBondContact O-CB 3.42Å; S70-S74 PolarHBondContact O-N 3.35Å; L71-S74 PolarHBondContact O-N 3.01Å; S74-S77 PolarHBondContact O-N 2.96Å; S74-S77 PolarHBondContact O-OG 3.06Å; S74-N78 PolarHBondContact O-N 3.42Å; S74-N78 PolarHBondContact O-ND2 3.41Å
75	I	46.5	Very low	46.8	Very low	99 Å²	99	108.6 Å²	108.6	51%	0.508	62%	0.619	S	S	.	*	H	α-helix	trans	-66.9	-36.8	176	-67.9	166.1	0	0	0	111.6	L71 N72 N79	L71-I75 VanDerWaalsContact O-CG1 3.26Å; L71-I75 WeakPolarHBondContact O-CG1 3.35Å; L71-I75 PolarHBondContact O-N 3.14Å; N72-I75 PolarHBondContact O-N 3.14Å; I75-N79 PolarHBondContact O-ND2 3.39Å
76	Q	47	Very low	46	Very low	151 Å²	151	112.1 Å²	112.1	71%	0.706	64%	0.635	S	S	*	*	H	α-helix	trans	-69.8	-37	174.3	-99.1	177.6	10.4	0	0	112.9	N72 E73 N78 N79	N72-Q76 PolarHBondContact O-N 2.72Å; N72-Q76 VanDerWaalsContact O-N 3.1Å; E73-Q76 PolarHBondContact O-N 3.46Å; Q76-N78 VanDerWaalsContact C-N 3.33Å; Q76-N78 PolarHBondContact O-N 2.85Å; Q76-N79 PolarHBondContact O-N 3.35Å
77	S	47.4	Very low	45.6	Very low	79 Å²	79	112 Å²	112	55%	0.552	65%	0.645	S	S	*	*	H	α-helix	trans	-67.8	-29	177.6	71.2	0	0	0	0	113.9	E73 S74	E73-S77 PolarHBondContact O-N 3.29Å; S74-S77 PolarHBondContact O-N 2.96Å; S74-S77 PolarHBondContact O-OG 3.06Å
78	N	48.3	Very low	45	Very low	113 Å²	113	118.4 Å²	118.4	60%	0.604	67%	0.667	S	S	*	*	H	α-helix	trans	-84.9	-13.8	-179.4	-75.2	-35.7	0	0	0	114	S74 Q76	S74-N78 PolarHBondContact O-N 3.42Å; S74-N78 PolarHBondContact O-ND2 3.41Å; Q76-N78 VanDerWaalsContact C-N 3.33Å; Q76-N78 PolarHBondContact O-N 2.85Å
79	N	50.3	Low	44.5	Very low	119 Å²	119	122.6 Å²	122.6	64%	0.636	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.1	2.1	-177.9	-77.4	-46.9	0	0	0	114.4	I75 Q76	I75-N79 PolarHBondContact O-ND2 3.39Å; Q76-N79 PolarHBondContact O-N 3.35Å
80	L	44.2	Very low	44.2	Very low	159 Å²	159	122.6 Å²	122.6	83%	0.832	70%	0.701	S	S	*	*	S	Bend	trans	-96.8	10.3	-178.2	-76.1	171.7	0	0	0	115.3
81	S	44.3	Very low	43.8	Very low	114 Å²	114	126.8 Å²	126.8	80%	0.797	72%	0.718	S	S	*	*	S	Bend	trans	-113.4	14.3	178.5	75.9	0	0	0	0	115.8
82	A	42	Very low	43.8	Very low	101 Å²	101	126.6 Å²	126.6	84%	0.835	72%	0.724	S	S	*	*			trans	-112.9	17	-175.4	0	0	0	0	0	115.3
83	A	39.7	Very low	43.6	Very low	88 Å²	88	128.6 Å²	128.6	73%	0.727	74%	0.739	S	S	*	*			trans	-113.4	134.8	175.2	0	0	0	0	0	110.6
84	V	40.4	Very low	43.7	Very low	139 Å²	139	129.1 Å²	129.1	84%	0.842	75%	0.746	S	S	*	*			trans	90.8	78.7	173.2	-164.8	0	0	0	0	115.2
85	I	43.1	Very low	43.4	Very low	169 Å²	169	131.7 Å²	131.7	87%	0.867	76%	0.762	S	S	*	*				-147.8	108.7	123.9	-57.4	-168.2	0	0	0	107.8
86	H	40.3	Very low	42.8	Very low	183 Å²	183	132.8 Å²	132.8	85%	0.847	77%	0.773	S	S	*	*			trans	-74.6	121.6	160.6	-97.9	-82	0	0	0	108
87	D	41.1	Very low	42.8	Very low	157 Å²	157	131.6 Å²	131.6	84%	0.84	78%	0.781	S	S	*	*				-176	131.4	128.1	-100.9	-18.9	0	0	0	111
88	Q	38.4	Very low	42.4	Very low	181 Å²	181	136.3 Å²	136.3	85%	0.846	79%	0.794	S	S	*	*			trans	-91.6	131.7	-177.5	-172.6	-173.5	-5.3	0	0	109.1
89	P	41.5	Very low	41.9	Very low	119 Å²	119	137.5 Å²	137.5	77%	0.773	81%	0.806	S	S	*	*			trans	-117.6	119.1	164.9	31.3	-17.1	0	0	0	111.9	N91	P89-N91 PolarHBondContact O-N 2.81Å
90	S	41.9	Very low	41.3	Very low	115 Å²	115	137.3 Å²	137.3	80%	0.804	81%	0.812	S	S	*	*			trans	-70.1	109.9	165	-89.2	0	0	0	0	110.9
91	N	40.3	Very low	41.2	Very low	155 Å²	155	135.2 Å²	135.2	83%	0.829	81%	0.808	S	S	*	*			trans	36	153.5	135.9	-87.6	-13.9	0	0	0	123.5	P89	P89-N91 PolarHBondContact O-N 2.81Å
92	P	44	Very low	41	Very low	109 Å²	109	135.5 Å²	135.5	71%	0.708	81%	0.805	S	S	*	*				-120.6	162.2	-125.9	40.8	-29.4	0	0	0	115.1
93	V	43	Very low	41	Very low	144 Å²	144	139.5 Å²	139.5	87%	0.873	81%	0.806	S	S	*	*			trans	-141	117.1	165.9	179.9	0	0	0	0	109.4
94	L	45.7	Very low	40.6	Very low	159 Å²	159	138.5 Å²	138.5	83%	0.832	81%	0.805	S	S	*	*			trans	-90.3	157	166.3	-74.9	179	0	0	0	108.8
95	P	43	Very low	40.4	Very low	113 Å²	113	138.4 Å²	138.4	73%	0.734	81%	0.806	S	S	*	*				-153.2	153.2	63.8	34.9	-10.7	0	0	0	120
96	V	32.9	Very low	40	Very low	122 Å²	122	136 Å²	136	74%	0.739	81%	0.805	S	S	*	*			trans	52	122.5	132.5	-171.5	0	0	0	0	120.7
97	S	46.3	Very low	39.6	Very low	125 Å²	125	135 Å²	135	87%	0.874	81%	0.805	S	S	*	*				-165.6	139.1	124.1	-75.1	0	0	0	0	111.8
98	E	40.2	Very low	39.4	Very low	179 Å²	179	135.4 Å²	135.4	84%	0.836	81%	0.805	S	S	*	*			trans	-71.3	167.1	-172.6	-68.7	165	115	0	0	115.6
99	T	38.1	Very low	39.2	Very low	138 Å²	138	133 Å²	133	85%	0.847	80%	0.798	S	S	*	*			trans	129.5	95.9	140	-55.8	0	0	0	0	113.9
100	C	36.9	Very low	38.8	Very low	114 Å²	114	136 Å²	136	77%	0.77	81%	0.807	S	S	*	*			trans	-77.8	-176	154.7	-59.8	0	0	0	0	110
101	P	42	Very low	38.5	Very low	116 Å²	116	137.3 Å²	137.3	75%	0.753	80%	0.8	S	S	*	*			cis	-131.6	-174.5	-11.9	23.1	1.7	0	0	0	112
102	V	39.2	Very low	38.3	Very low	120 Å²	120	136.2 Å²	136.2	73%	0.727	80%	0.8	S	S	*	*			trans	160.5	137.1	134.7	159.5	0	0	0	0	112.7
103	H	43.3	Very low	37.9	Very low	184 Å²	184	138.8 Å²	138.8	85%	0.852	80%	0.799	S	S	*	*			trans	81.9	95.3	161.8	-87.3	-66.2	0	0	0	121.5
104	G	31.7	Very low	37.5	Very low	68 Å²	68	143.3 Å²	143.3	70%	0.701	80%	0.801	S	S	*	*				83.4	126.7	105.7	0	0	0	0	0	119.4
105	P	36.2	Very low	37.1	Very low	136 Å²	136	140.3 Å²	140.3	88%	0.883	80%	0.799	S	S	*	*			trans	-94.1	165	-162.5	38.6	-35.4	0	0	0	114.5
106	S	34.7	Very low	36.5	Very low	120 Å²	120	139.8 Å²	139.8	84%	0.839	80%	0.798	S	S	*	*			trans	-139.8	113.5	161.6	38.4	0	0	0	0	111.2
107	L	30.6	Very low	36.7	Very low	162 Å²	162	140.2 Å²	140.2	85%	0.848	80%	0.796	S	S	*	*			trans	-112.7	123.5	163.6	-162.4	113.8	0	0	0	106.5
108	I	38.2	Very low	36.2	Very low	164 Å²	164	142.3 Å²	142.3	84%	0.841	79%	0.792	S	S	*	*			trans	-113.9	127.7	179.3	12.2	173	0	0	0	109.1
109	N	33.1	Very low	35.6	Very low	131 Å²	131	139 Å²	139	70%	0.701	79%	0.789	S	S	*	*			trans	-64.3	155.6	-171.4	-60.1	-60.1	0	0	0	115.1
110	L	32.7	Very low	35.2	Very low	183 Å²	183	137.5 Å²	137.5	96%	0.958	78%	0.784	S	S	*	*				-136.3	126.8	120.4	-165.8	72.6	0	0	0	110
111	E	37.1	Very low	35	Very low	141 Å²	141	137.4 Å²	137.4	66%	0.659	79%	0.785	S	S	*	*			trans	-98.6	147.5	-166.4	-174.2	-172.3	154.6	0	0	109.9
112	T	36.1	Very low	34.6	Very low	133 Å²	133	135.5 Å²	135.5	82%	0.816	77%	0.774	S	S	*	*				-159.9	104.1	129.8	-67.1	0	0	0	0	111
113	K	34.8	Very low	34.2	Very low	162 Å²	162	138.2 Å²	138.2	70%	0.704	78%	0.779	S	S	*	*			trans	53.2	112.9	142.7	-77.7	179.4	171.7	174.9	0	122.8
114	R	34.7	Very low	33.9	Very low	239 Å²	239	140.1 Å²	140.1	90%	0.902	78%	0.779	S	S	*	*				49.8	135.3	120	-63.4	-156.5	-160.6	171.5	4.3	118.4
115	A	36.7	Very low	34.2	Very low	97 Å²	97	142.3 Å²	142.3	80%	0.802	77%	0.774	S	S	*	*			cis	-153.6	151.9	31.7	0	0	0	0	0	111.6
116	S	30.9	Very low	34.2	Very low	101 Å²	101	140.7 Å²	140.7	71%	0.706	76%	0.758	S	S	*	*			trans	-68	140.6	169.8	48.9	0	0	0	0	112.3
117	N	36.8	Very low	34.3	Very low	131 Å²	131	141.2 Å²	141.2	70%	0.701	75%	0.75	S	S	*	*				167.7	131.8	121.4	-83.6	1.8	0	0	0	110.4
118	E	35.8	Very low	34.5	Very low	169 Å²	169	140.3 Å²	140.3	79%	0.79	75%	0.745	S	S	*	*			trans	60.5	118.9	139.8	-60.2	179.3	141.2	0	0	120.3
119	S	28.4	Very low	34.2	Very low	109 Å²	109	139.4 Å²	139.4	76%	0.762	74%	0.742	S	S	*	*			trans	80.7	139.2	138.7	75.9	0	0	0	0	119.8
120	S	30.1	Very low	34.3	Very low	108 Å²	108	137.4 Å²	137.4	76%	0.755	74%	0.738	S	S	*	*			trans	102.8	100	145.9	-49.7	0	0	0	0	117.5
121	S	31.7	Very low	34.4	Very low	112 Å²	112	132.5 Å²	132.5	78%	0.783	72%	0.724	S	S	*	*			trans	-31	157.7	143.9	52	0	0	0	0	115.3
122	S	33.8	Very low	34.2	Very low	75 Å²	75	133.3 Å²	133.3	52%	0.524	73%	0.731	S	S	.	*			trans	89.9	74	169.8	79.6	0	0	0	0	117.8	D125 N126	S122-D125 WeakPolarHBondContact CB-OD2 3.48Å; S122-N126 PolarHBondContact O-OD1 3.37Å
123	Q	31.2	Very low	33.9	Very low	178 Å²	178	135.6 Å²	135.6	83%	0.832	73%	0.73	S	S	*	*	S	Bend	trans	-102.9	36.1	163.5	-161	178.9	-29.8	0	0	111.9
124	R	37.5	Very low	33.8	Very low	223 Å²	223	135.7 Å²	135.7	84%	0.842	74%	0.736	S	S	*	*	S	Bend	trans	-131.4	-4.9	172.6	-77.8	-167.9	174	102.4	-0.7	114.8
125	D	37.2	Very low	33.7	Very low	115 Å²	115	128.4 Å²	128.4	62%	0.615	73%	0.727	S	S	*	*	S	Bend	trans	-102.3	4.4	-174.4	-58.7	-32.5	0	0	0	113.8	S122	S122-D125 WeakPolarHBondContact CB-OD2 3.48Å
126	N	36.2	Very low	33.2	Very low	102 Å²	102	128.5 Å²	128.5	55%	0.545	73%	0.728	S	S	.	*	S	Bend	trans	-111.6	-6.1	-170.1	9.6	7.5	0	0	0	113.2	S122	S122-N126 PolarHBondContact O-OD1 3.37Å
127	I	36.1	Very low	33.4	Very low	130 Å²	130	130.3 Å²	130.3	67%	0.667	73%	0.734	S	S	*	*	S	Bend	trans	-86.5	-28.8	176.8	-59.6	176.2	0	0	0	110.6	L129 S130	I127-L129 PolarHBondContact O-N 2.91Å; I127-S130 PolarHBondContact O-OG 2.76Å
128	L	34.7	Very low	33.3	Very low	143 Å²	143	129.5 Å²	129.5	75%	0.749	74%	0.736	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.7	-24.2	-176.3	-127.6	89.4	0	0	0	114.8	S130	L128-S130 VanDerWaalsContact C-N 3.34Å
129	L	33.4	Very low	33	Very low	146 Å²	146	126.1 Å²	126.1	76%	0.764	74%	0.737	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.4	-3.6	-179.5	-92	155.3	0	0	0	114	I127	I127-L129 PolarHBondContact O-N 2.91Å
130	S	35.2	Very low	33.4	Very low	88 Å²	88	129.6 Å²	129.6	62%	0.615	74%	0.741	S	S	*	*	S	Bend	trans	-90.9	-19.1	-177	70	0	0	0	0	114.2	I127 L128	I127-S130 PolarHBondContact O-OG 2.76Å; L128-S130 VanDerWaalsContact C-N 3.34Å
131	A	34.9	Very low	34.1	Very low	81 Å²	81	131.8 Å²	131.8	67%	0.669	74%	0.739	S	S	*	*	S	Bend	trans	-95.6	-17.6	-176.8	0	0	0	0	0	114.1
132	I	32.7	Very low	34.3	Very low	158 Å²	158	134.6 Å²	134.6	81%	0.81	74%	0.74	S	S	*	*	S	Bend	trans	-106.2	55.2	177.1	-51.3	173.5	0	0	0	109.2
133	K	30.2	Very low	34.5	Very low	181 Å²	181	136.9 Å²	136.9	79%	0.787	75%	0.751	S	S	*	*			trans	-133.3	59.7	172.1	-165.1	173.1	-178	174.3	0	109.3	A135	K133-A135 VanDerWaalsContact C-N 3.3Å; K133-A135 PolarHBondContact O-N 2.89Å; K133-A135 VanDerWaalsContact O-N 3.09Å
134	I	32	Very low	34.8	Very low	163 Å²	163	137 Å²	137	84%	0.836	75%	0.751	S	S	*	*			trans	-81	88.8	168.4	-58.8	178.7	0	0	0	107.1
135	A	32.2	Very low	35	Very low	87 Å²	87	133.3 Å²	133.3	72%	0.719	75%	0.749	S	S	*	*			trans	27.8	97.9	149.7	0	0	0	0	0	118.3	K133	K133-A135 VanDerWaalsContact C-N 3.3Å; K133-A135 PolarHBondContact O-N 2.89Å; K133-A135 VanDerWaalsContact O-N 3.09Å
136	A	27	Very low	34.9	Very low	98 Å²	98	137.1 Å²	137.1	81%	0.81	76%	0.76	S	S	*	*			trans	-67.9	136.7	142.3	0	0	0	0	0	109.3
137	V	33.5	Very low	34.9	Very low	140 Å²	140	138.1 Å²	138.1	85%	0.848	78%	0.775	S	S	*	*			trans	160.5	138.5	154.5	152.3	0	0	0	0	110.9
138	P	34.8	Very low	34.8	Very low	114 Å²	114	137 Å²	137	74%	0.74	78%	0.778	S	S	*	*			cis	-130.7	179.1	-47.3	39.7	-20.2	0	0	0	112
139	A	30.3	Very low	35	Very low	98 Å²	98	135.7 Å²	135.7	81%	0.81	78%	0.781	S	S	*	*			trans	-50.2	135.7	172.3	0	0	0	0	0	113.7
140	H	37.9	Very low	35.1	Very low	182 Å²	182	134.1 Å²	134.1	84%	0.843	78%	0.778	S	S	*	*			trans	-118.4	118.7	154.3	-167.3	-75.4	0	0	0	108.1
141	E	43.1	Very low	35.2	Very low	154 Å²	154	136.5 Å²	136.5	72%	0.72	78%	0.783	S	S	*	*			trans	-67.3	149.1	174.2	-70.9	176.2	156.8	0	0	111.3
142	E	36.4	Very low	35.4	Very low	171 Å²	171	140.8 Å²	140.8	80%	0.799	79%	0.794	S	S	*	*			trans	49.2	122	147.7	-62.3	-175.1	168	0	0	119.4
143	T	38.5	Very low	35.3	Very low	122 Å²	122	138.9 Å²	138.9	75%	0.748	79%	0.79	S	S	*	*				-172	129.5	104.9	-72.8	0	0	0	0	110.5	N145	T143-N145 PolarHBondContact O-OD1 3.09Å
144	E	36.6	Very low	35.6	Very low	180 Å²	180	139.2 Å²	139.2	84%	0.841	80%	0.795	S	S	*	*			trans	-58.4	132.5	168.5	-116.6	-179.1	149.1	0	0	112.6
145	N	41.7	Very low	35.8	Very low	147 Å²	147	135.7 Å²	135.7	79%	0.786	79%	0.79	S	S	*	*			trans	-151.5	87.3	158.1	24.2	-9.3	0	0	0	111.1	T143	T143-N145 PolarHBondContact O-OD1 3.09Å
146	K	36	Very low	35.9	Very low	194 Å²	194	136.9 Å²	136.9	84%	0.843	79%	0.79	S	S	*	*			trans	-58.3	129.8	155.9	-165.3	172.5	-170.3	169.6	0	109.3
147	S	36.8	Very low	36.4	Very low	124 Å²	124	139.4 Å²	139.4	87%	0.867	79%	0.79	S	S	*	*			trans	-147.7	107.5	161.6	-84.4	0	0	0	0	111.5
148	S	32.4	Very low	36.3	Very low	105 Å²	105	140.5 Å²	140.5	73%	0.734	79%	0.786	S	S	*	*			trans	-76.8	145.7	163.9	48.7	0	0	0	0	111.7
149	S	38.5	Very low	36.4	Very low	117 Å²	117	141.2 Å²	141.2	82%	0.818	78%	0.782	S	S	*	*			trans	-161.1	89	162	166.8	0	0	0	0	107.2
150	V	35.8	Very low	36.5	Very low	113 Å²	113	142.2 Å²	142.2	69%	0.685	77%	0.774	S	S	*	*				61.7	102.6	79.2	-177.3	0	0	0	0	114.5
151	L	38.2	Very low	36.3	Very low	138 Å²	138	141 Å²	141	72%	0.723	77%	0.768	S	S	*	*			trans	60.6	122.4	141.9	-59.6	172.4	0	0	0	120.8
152	N	39.2	Very low	35.9	Very low	170 Å²	170	140 Å²	140	91%	0.909	77%	0.768	S	S	*	*				-149.6	147.1	113.2	-82.8	-42.2	0	0	0	111.4
153	T	30.8	Very low	35.8	Very low	119 Å²	119	137.4 Å²	137.4	73%	0.73	76%	0.764	S	S	*	*			trans	-97.4	172.8	-159.9	-51.3	0	0	0	0	112
154	E	36.2	Very low	35.4	Very low	188 Å²	188	139.9 Å²	139.9	88%	0.879	76%	0.764	S	S	*	*			trans	99.7	121.7	153.3	-148	161.6	-147.3	0	0	114.8
155	A	35.2	Very low	35.2	Very low	88 Å²	88	137.3 Å²	137.3	73%	0.727	76%	0.756	S	S	*	*			cis	-156.6	160.1	3.9	0	0	0	0	0	109.5
156	P	35.1	Very low	34.5	Very low	112 Å²	112	136.4 Å²	136.4	73%	0.727	76%	0.756	S	S	*	*			trans	-96.6	155.6	-177.9	37.5	-30.5	0	0	0	112.6
157	N	37.2	Very low	34.3	Very low	151 Å²	151	131.2 Å²	131.2	81%	0.807	74%	0.744	S	S	*	*			trans	168.8	112.7	146.4	-83.3	-12.3	0	0	0	106.7
158	E	31.9	Very low	34.2	Very low	163 Å²	163	133.8 Å²	133.8	76%	0.762	75%	0.748	S	S	*	*				119.9	146.4	58.3	-164.1	-179.2	-167	0	0	106.4
159	I	35.5	Very low	34.2	Very low	129 Å²	129	136.7 Å²	136.7	66%	0.662	75%	0.75	S	S	*	*			trans	109	84.1	162	-50.3	167.4	0	0	0	116.1
160	N	33.6	Very low	34.1	Very low	119 Å²	119	135.5 Å²	135.5	64%	0.636	74%	0.742	S	S	*	*				54	122.3	121.9	-53.8	-26.9	0	0	0	120.8
161	H	32.6	Very low	34.1	Very low	157 Å²	157	136.4 Å²	136.4	73%	0.727	74%	0.742	S	S	*	*				174.5	117.9	93.6	-89.9	-71.9	0	0	0	112.4
162	D	36	Very low	34.1	Very low	133 Å²	133	135.5 Å²	135.5	71%	0.711	74%	0.739	S	S	*	*			trans	76.7	123.3	134	-72.8	-49.3	0	0	0	124.7
163	T	32.9	Very low	34.2	Very low	117 Å²	117	134.7 Å²	134.7	72%	0.718	73%	0.729	S	S	*	*			trans	83	95.7	136.7	-50.7	0	0	0	0	117.5
164	K	32	Very low	34.6	Very low	174 Å²	174	133.1 Å²	133.1	76%	0.757	72%	0.716	S	S	*	*				71.4	108.6	77.2	-159.1	-164.8	-179	174.6	0	113.7
165	N	31.2	Very low	35.1	Very low	125 Å²	125	126.1 Å²	126.1	67%	0.668	69%	0.688	S	S	*	*			trans	123.6	112.8	143.1	-71.3	-32.4	0	0	0	117.7
166	V	27.2	Very low	36	Very low	129 Å²	129	124.5 Å²	124.5	78%	0.782	67%	0.669	S	S	*	*				76.1	136.7	123.1	-176.9	0	0	0	0	119.4
167	S	32.1	Very low	36.8	Very low	85 Å²	85	120.1 Å²	120.1	59%	0.594	64%	0.639	S	S	*	*			trans	70.1	86.5	166	62.9	0	0	0	0	118.6	E169	S167-E169 PolarHBondContact O-N 3.24Å
168	N	35.4	Very low	37.8	Very low	177 Å²	177	118.1 Å²	118.1	95%	0.947	63%	0.632	S	S	*	*			trans	-78	74.6	142.5	-69	-5.5	0	0	0	107.4	S170	N168-S170 PolarHBondContact O-N 3.28Å
169	E	30.5	Very low	39.2	Very low	167 Å²	167	111.7 Å²	111.7	78%	0.78	60%	0.603	S	S	*	*			trans	-78.2	109.5	170.3	-164.8	169.6	-167.2	0	0	106.7	S167 N171	S167-E169 PolarHBondContact O-N 3.24Å; E169-N171 PolarHBondContact O-N 3.19Å
170	S	37.4	Very low	40.3	Very low	92 Å²	92	106.6 Å²	106.6	64%	0.643	58%	0.578	S	S	*	*			trans	-60.1	105.9	177.1	48.3	0	0	0	0	109.5	N168 D172	N168-S170 PolarHBondContact O-N 3.28Å; S170-D172 PolarHBondContact O-N 3.3Å
171	N	36.4	Very low	41.3	Very low	131 Å²	131	106.7 Å²	106.7	70%	0.701	58%	0.579	S	S	*	*			trans	-76.8	70.8	174.2	-163.1	27.5	0	0	0	109.1	E169 Q173	E169-N171 PolarHBondContact O-N 3.19Å; N171-Q173 PolarHBondContact O-N 2.85Å; N171-Q173 WeakPolarHBondContact OD1-CG 3.29Å; N171-Q173 PolarHBondContact OD1-NE2 3.37Å
172	D	37.7	Very low	42.2	Very low	120 Å²	120	101.9 Å²	101.9	64%	0.642	56%	0.558	S	S	*	*			trans	-72.4	70.2	169.5	-72	-31.1	0	0	0	108.5	S170 N174	S170-D172 PolarHBondContact O-N 3.3Å; D172-N174 PolarHBondContact O-N 2.98Å
173	Q	40.2	Very low	42.8	Very low	152 Å²	152	100.6 Å²	100.6	71%	0.71	55%	0.552	S	S	*	*			trans	-75.2	110.1	169.2	-67.5	-123.9	0.3	0	0	107.9	N171 S175	N171-Q173 PolarHBondContact O-N 2.85Å; N171-Q173 WeakPolarHBondContact OD1-CG 3.29Å; N171-Q173 PolarHBondContact OD1-NE2 3.37Å; Q173-S175 PolarHBondContact O-N 3.23Å
174	N	39.6	Very low	43.6	Very low	86 Å²	86	100.5 Å²	100.5	46%	0.46	54%	0.539	S	S	.	.			trans	-37.9	110	164.9	-91.7	30.7	0	0	0	110.4	D172 V176 Y196	D172-N174 PolarHBondContact O-N 2.98Å; N174-V176 PolarHBondContact O-N 3.48Å; N174-Y196 VanDerWaalsContact CG-O 3.32Å; N174-Y196 PolarHBondContact ND2-O 2.74Å; N174-Y196 PolarHBondContact OD1-O 3.39Å
175	S	47.9	Very low	44.3	Very low	41 Å²	41	95.2 Å²	95.2	29%	0.287	52%	0.516	S	S	.	.			trans	-73.4	100.2	171.5	57	0	0	0	0	108.3	Q173	Q173-S175 PolarHBondContact O-N 3.23Å
176	V	52.7	Low	44.7	Very low	55 Å²	55	93.4 Å²	93.4	33%	0.333	51%	0.506	S	S	.	.			trans	-85.5	115.4	173.2	-179.9	0	0	0	0	107.8	N174 V178	N174-V176 PolarHBondContact O-N 3.48Å; V176-V178 HydrophobicContact CG1-CG2 4.19Å; V176-V178 PolarHBondContact O-N 2.98Å
177	I	52.7	Low	45	Very low	19 Å²	19	95.1 Å²	95.1	10%	0.097	51%	0.511	C	S	.	.	B	Isolated β-bridge	trans	-83.3	106.7	171.2	-61.1	169.5	0	0	0	107	H37 L179 L279 F286	H37-I177 WeakPolarHBondContact NE2-CG1 3.3Å; I177-L179 HydrophobicContact CG2-CD2 4.14Å; I177-L179 HydrophobicContact CG2-CG 4.48Å; I177-L179 PolarHBondContact O-N 3.41Å; I177-L279 HydrophobicContact CD1-CD2 3.81Å; I177-F286 HydrophobicContact CD1-CE1 4.39Å; I177-F286 HydrophobicContact CD1-CZ 4.45Å
178	V	58.5	Low	45.3	Very low	109 Å²	109	96 Å²	96	66%	0.661	52%	0.517	S	S	*	.			trans	-84.6	103	171.8	-177.2	0	0	0	0	107.8	T33 V176	T33-V178 WeakPolarHBondContact CG2-O 3.22Å; V176-V178 HydrophobicContact CG1-CG2 4.19Å; V176-V178 PolarHBondContact O-N 2.98Å
179	L	62	Low	45.1	Very low	28 Å²	28	96.8 Å²	96.8	15%	0.147	51%	0.508	C	S	.	.	P	Polyproline II helix	trans	-68.3	148.3	172.9	-68.7	176.9	0	0	0	110.1	L30 I177 D181 F194	L30-L179 HydrophobicContact CD1-CD2 3.51Å; I177-L179 HydrophobicContact CG2-CD2 4.14Å; I177-L179 HydrophobicContact CG2-CG 4.48Å; I177-L179 PolarHBondContact O-N 3.41Å; L179-D181 PolarHBondContact O-N 3.37Å; L179-F194 HydrophobicContact CD1-CD2 4.42Å; L179-F194 HydrophobicContact CD1-CE2 4.08Å
180	P	57.7	Low	45.1	Very low	22 Å²	22	94.3 Å²	94.3	14%	0.143	50%	0.504	C	S	.	.	P	Polyproline II helix	trans	-55.5	142.1	170.8	25	-33.3	0	0	0	109.6	F26 K29 L182	F26-P180 HydrophobicContact CD2-CG 4.11Å; F26-P180 HydrophobicContact CE2-CG 3.93Å; K29-P180 HydrophobicContact CB-CB 3.77Å; K29-P180 HydrophobicContact CB-CG 3.76Å; K29-P180 HydrophobicContact CD-CB 4.06Å; K29-P180 HydrophobicContact CG-CB 4.46Å; P180-L182 PolarHBondContact O-N 3.4Å; P180-L182 VanDerWaalsContact O-N 3.09Å
181	D	53.9	Low	44.9	Very low	121 Å²	121	95.4 Å²	95.4	65%	0.647	51%	0.512	S	S	*	.	P	Polyproline II helix	trans	-48.9	121.6	179.6	-73.4	-32.8	0	0	0	109.5	L179 D183	L179-D181 PolarHBondContact O-N 3.37Å; D181-D183 HydrophobicContact CB-CB 4.19Å; D181-D183 PolarHBondContact O-N 3.3Å; D181-D183 VanDerWaalsContact O-N 3.09Å
182	L	53.3	Low	45	Very low	57 Å²	57	92.5 Å²	92.5	30%	0.298	50%	0.499	S	S	.	.	G	3₁₀ helix	trans	-73.7	15.2	172.6	-92.1	97.3	0	0	0	111.7	F26 P180 Y184 F185 I272	F26-L182 HydrophobicContact CE2-CD1 4.06Å; F26-L182 HydrophobicContact CE2-CG 4.16Å; P180-L182 PolarHBondContact O-N 3.4Å; P180-L182 VanDerWaalsContact O-N 3.09Å; L182-Y184 PolarHBondContact O-N 2.76Å; L182-F185 HydrophobicContact CB-CD2 4.37Å; L182-F185 HydrophobicContact CD2-CD2 3.94Å; L182-F185 HydrophobicContact CD2-CE2 4.26Å; L182-F185 HydrophobicContact CG-CD2 4.27Å; L182-F185 PolarHBondContact O-N 3.26Å; L182-I272 HydrophobicContact CD2-CD1 3.44Å; L182-I272 VanDerWaalsContact CD2-CD1 3.44Å; L182-I272 HydrophobicContact CD2-CG1 4.02Å
183	D	47.8	Very low	45	Very low	106 Å²	106	94.6 Å²	94.6	57%	0.567	51%	0.505	S	S	*	.	G	3₁₀ helix	trans	-56.3	-11.5	177.6	68.1	-6.7	0	0	0	113.2	D181 F185 D186	D181-D183 HydrophobicContact CB-CB 4.19Å; D181-D183 PolarHBondContact O-N 3.3Å; D181-D183 VanDerWaalsContact O-N 3.09Å; D183-F185 PolarHBondContact O-N 2.91Å; D183-D186 WeakPolarHBondContact O-CB 3.45Å
184	Y	49.1	Very low	45	Very low	115 Å²	115	90.4 Å²	90.4	45%	0.451	48%	0.484	S	S	.	.	G	3₁₀ helix	trans	-70.3	-12.5	170.4	-129.8	-70.9	0	0	0	114.8	S22 L182	S22-Y184 WeakPolarHBondContact OG-CD1 3.48Å; S22-Y184 VanDerWaalsContact OG-CE1 3.26Å; S22-Y184 WeakPolarHBondContact OG-CE1 3.47Å; L182-Y184 PolarHBondContact O-N 2.76Å
185	F	46.2	Very low	44.8	Very low	63 Å²	63	90.4 Å²	90.4	28%	0.276	49%	0.491	S	S	.	.	G	3₁₀ helix	trans	-111.5	21.2	179.2	-60	-73.4	0	0	0	113.3	F19 Q23 L182 D183 D187 C268	F19-F185 HydrophobicContact CE2-CE1 4.02Å; Q23-F185 HydrophobicContact CG-CZ 4.4Å; L182-F185 HydrophobicContact CB-CD2 4.37Å; L182-F185 HydrophobicContact CD2-CD2 3.94Å; L182-F185 HydrophobicContact CD2-CE2 4.26Å; L182-F185 HydrophobicContact CG-CD2 4.27Å; L182-F185 PolarHBondContact O-N 3.26Å; D183-F185 PolarHBondContact O-N 2.91Å; F185-D187 VanDerWaalsContact C-N 3.33Å; F185-D187 PolarHBondContact O-N 2.81Å; F185-C268 HydrophobicContact CE1-CB 4.45Å; F185-C268 WeakPolarHBondContact CE1-SG 3.26Å
186	D	40.2	Very low	44.4	Very low	87 Å²	87	94.7 Å²	94.7	47%	0.465	50%	0.502	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	81.8	-170.4	-164.8	23.7	0	0	0	113.8	D183 Y189	D183-D186 WeakPolarHBondContact O-CB 3.45Å; D186-Y189 WeakPolarHBondContact OD1-CE2 3.29Å
187	D	34.8	Very low	43.6	Very low	164 Å²	164	100.5 Å²	100.5	88%	0.877	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-130.1	-5.9	150	-81.7	-31.2	0	0	0	111.8	F185	F185-D187 VanDerWaalsContact C-N 3.33Å; F185-D187 PolarHBondContact O-N 2.81Å
188	S	36.8	Very low	42.9	Very low	104 Å²	104	104.3 Å²	104.3	73%	0.727	54%	0.543	S	S	*	.	S	Bend	trans	-151.5	108.2	172.6	71.3	0	0	0	0	113.4	V190	S188-V190 PolarHBondContact O-N 2.92Å
189	Y	31.2	Very low	41.7	Very low	194 Å²	194	107 Å²	107	76%	0.761	55%	0.548	S	S	*	.			trans	-61.9	110.7	-179.4	-81	-95.7	0	0	0	114	D186	D186-Y189 WeakPolarHBondContact OD1-CE2 3.29Å
190	V	31.4	Very low	40.6	Very low	115 Å²	115	113.9 Å²	113.9	70%	0.697	57%	0.573	S	S	*	*			trans	-145.8	105.3	146.7	-179.1	0	0	0	0	109	S188 V192	S188-V190 PolarHBondContact O-N 2.92Å; V190-V192 HydrophobicContact CG1-CG2 3.89Å; V190-V192 PolarHBondContact O-N 3.28Å
191	S	32.7	Very low	39.6	Very low	115 Å²	115	121.4 Å²	121.4	80%	0.804	60%	0.603	S	S	*	*			trans	-70.3	122.9	162.4	-53.1	0	0	0	0	108.3
192	V	39.3	Very low	38.7	Very low	70 Å²	70	123.1 Å²	123.1	42%	0.424	61%	0.609	S	S	.	*			trans	-103.6	103.7	179.7	-165.9	0	0	0	0	110	V190 F194	V190-V192 HydrophobicContact CG1-CG2 3.89Å; V190-V192 PolarHBondContact O-N 3.28Å; V192-F194 HydrophobicContact CB-CE2 4.05Å; V192-F194 HydrophobicContact CB-CZ 4.01Å; V192-F194 HydrophobicContact CG1-CD1 4.02Å; V192-F194 HydrophobicContact CG1-CD2 4.11Å; V192-F194 HydrophobicContact CG1-CE1 3.4Å; V192-F194 HydrophobicContact CG1-CE2 3.5Å; V192-F194 VanDerWaalsContact CG1-CE2 3.5Å; V192-F194 HydrophobicContact CG1-CG 4.35Å; V192-F194 HydrophobicContact CG1-CZ 3.1Å
193	E	37.2	Very low	37.7	Very low	163 Å²	163	124.8 Å²	124.8	76%	0.762	63%	0.625	S	S	*	*	P	Polyproline II helix	trans	-91.8	118.4	169.5	-174.3	178.9	-179.1	0	0	109
194	F	39.4	Very low	37.3	Very low	65 Å²	65	126.7 Å²	126.7	29%	0.285	64%	0.636	S	S	.	*	B	Isolated β-bridge	trans	-97.9	117.5	176.5	-62.2	-74	0	0	0	110.2	L179 V192 V276	L179-F194 HydrophobicContact CD1-CD2 4.42Å; L179-F194 HydrophobicContact CD1-CE2 4.08Å; V192-F194 HydrophobicContact CB-CE2 4.05Å; V192-F194 HydrophobicContact CB-CZ 4.01Å; V192-F194 HydrophobicContact CG1-CD1 4.02Å; V192-F194 HydrophobicContact CG1-CD2 4.11Å; V192-F194 HydrophobicContact CG1-CE1 3.4Å; V192-F194 HydrophobicContact CG1-CE2 3.5Å; V192-F194 VanDerWaalsContact CG1-CE2 3.5Å; V192-F194 HydrophobicContact CG1-CG 4.35Å; V192-F194 HydrophobicContact CG1-CZ 3.1Å; F194-V276 HydrophobicContact CE1-CG1 4.41Å; F194-V276 HydrophobicContact CE1-CG2 4.14Å; F194-V276 HydrophobicContact CE2-CG2 4.22Å; F194-V276 HydrophobicContact CZ-CG2 3.45Å; F194-V276 VanDerWaalsContact CZ-CG2 3.45Å
195	S	36.9	Very low	36.4	Very low	86 Å²	86	127.5 Å²	127.5	60%	0.601	65%	0.652	S	S	*	*	P	Polyproline II helix	trans	-103.3	123.4	168.3	57.2	0	0	0	0	109.7
196	Y	39.1	Very low	36.1	Very low	130 Å²	130	132.4 Å²	132.4	51%	0.51	68%	0.68	S	S	.	*	P	Polyproline II helix	trans	-83.1	129.1	172.8	-176.8	-106.5	0	0	0	109.7	N174 N198	N174-Y196 VanDerWaalsContact CG-O 3.32Å; N174-Y196 PolarHBondContact ND2-O 2.74Å; N174-Y196 PolarHBondContact OD1-O 3.39Å; Y196-N198 HydrophobicContact CE1-CB 3.8Å
197	K	35.6	Very low	35.9	Very low	178 Å²	178	134.3 Å²	134.3	77%	0.774	69%	0.69	S	S	*	*			trans	-116	109.8	168.5	-78.6	-161	173.1	-171.9	0	109.4	E199	K197-E199 PolarHBondContact O-N 3.46Å
198	N	38.2	Very low	36	Very low	98 Å²	98	132.4 Å²	132.4	52%	0.524	68%	0.68	S	S	.	*			trans	-79.5	104	165	-179.2	7.5	0	0	0	109	Y196 R200	Y196-N198 HydrophobicContact CE1-CB 3.8Å; N198-R200 PolarHBondContact O-N 2.87Å; N198-R200 VanDerWaalsContact O-N 3.15Å
199	E	33.3	Very low	36.1	Very low	166 Å²	166	134.9 Å²	134.9	78%	0.776	69%	0.685	S	S	*	*			trans	-83.6	81.7	172.4	-156.4	-177.9	-164	0	0	109.6	K197 K201	K197-E199 PolarHBondContact O-N 3.46Å; E199-K201 PolarHBondContact O-N 3.11Å
200	R	39.1	Very low	36.4	Very low	173 Å²	173	133.7 Å²	133.7	65%	0.653	69%	0.687	S	S	*	*			trans	-70.6	96.1	170.3	-173.6	-171.5	-71.7	-141.4	3.1	109.1	N198 M202	N198-R200 PolarHBondContact O-N 2.87Å; N198-R200 VanDerWaalsContact O-N 3.15Å; R200-M202 PolarHBondContact O-N 3.19Å
201	K	35.7	Very low	36.6	Very low	180 Å²	180	135 Å²	135	78%	0.783	69%	0.685	S	S	*	*			trans	-65.4	94.5	162	-90.7	179.7	175.4	173.1	0	109.5	E199 S203	E199-K201 PolarHBondContact O-N 3.11Å; K201-S203 PolarHBondContact O-N 2.87Å
202	M	36	Very low	36.7	Very low	156 Å²	156	134.3 Å²	134.3	77%	0.768	68%	0.68	S	S	*	*			trans	-92.4	77.3	165.5	-151.3	104.7	175.3	0	0	108.1	R200	R200-M202 PolarHBondContact O-N 3.19Å
203	S	31.5	Very low	36.5	Very low	92 Å²	92	137.9 Å²	137.9	64%	0.643	70%	0.697	S	S	*	*			trans	-82.2	113.8	160.7	42.6	0	0	0	0	107.3	K201	K201-S203 PolarHBondContact O-N 2.87Å
204	D	39	Very low	36.2	Very low	147 Å²	147	136.5 Å²	136.5	79%	0.786	70%	0.7	S	S	*	*			trans	-179.9	107	133.1	-83.4	-20.8	0	0	0	111.9
205	V	31.6	Very low	36	Very low	131 Å²	131	138.8 Å²	138.8	79%	0.794	72%	0.719	S	S	*	*			trans	27.8	117	139.6	-176	0	0	0	0	118.3
206	L	39.6	Very low	35.9	Very low	166 Å²	166	142.8 Å²	142.8	87%	0.869	73%	0.733	S	S	*	*			trans	-173.6	89.3	135	-97.4	162	0	0	0	107.3
207	N	35.9	Very low	35.8	Very low	127 Å²	127	143.1 Å²	143.1	68%	0.679	74%	0.742	S	S	*	*				76.2	107.1	95.3	-169	32.2	0	0	0	114
208	D	36.3	Very low	35.8	Very low	125 Å²	125	141.1 Å²	141.1	67%	0.668	74%	0.74	S	S	*	*			trans	17.6	119	150.9	-60.6	-20.6	0	0	0	117.6
209	N	38.3	Very low	35.8	Very low	155 Å²	155	142.2 Å²	142.2	83%	0.829	75%	0.75	S	S	*	*				173.6	137.5	105.8	-75.5	-34.3	0	0	0	109.6
210	Q	38.3	Very low	36	Very low	169 Å²	169	141.5 Å²	141.5	79%	0.79	75%	0.752	S	S	*	*			trans	105.1	87.6	151.1	-147.6	167.6	12.6	0	0	118
211	E	34.8	Very low	36	Very low	143 Å²	143	144 Å²	144	67%	0.668	76%	0.763	S	S	*	*				88.6	88.5	120.9	-148.4	164.6	-176.2	0	0	117.5
212	S	35.4	Very low	36.2	Very low	100 Å²	100	139.7 Å²	139.7	70%	0.699	75%	0.754	S	S	*	*			trans	-40.3	128.3	153.7	49.5	0	0	0	0	113.7
213	N	35	Very low	36.1	Very low	146 Å²	146	139.2 Å²	139.2	78%	0.781	75%	0.754	S	S	*	*			trans	-141.1	90.9	149.1	-76.8	-42.8	0	0	0	109.3	T215	N213-T215 PolarHBondContact O-N 3.41Å
214	T	31.1	Very low	36.3	Very low	133 Å²	133	142.6 Å²	142.6	82%	0.816	77%	0.765	S	S	*	*			trans	-61.7	120.9	161.4	49.1	0	0	0	0	108.9
215	T	34.9	Very low	36.2	Very low	113 Å²	113	140.5 Å²	140.5	69%	0.693	76%	0.762	S	S	*	*			trans	-137	102.8	157.8	-53.8	0	0	0	0	107.9	N213 I217	N213-T215 PolarHBondContact O-N 3.41Å; T215-I217 HydrophobicContact CG2-CD1 4.03Å; T215-I217 HydrophobicContact CG2-CG1 4.09Å; T215-I217 PolarHBondContact O-N 3.26Å
216	L	34.4	Very low	36.4	Very low	171 Å²	171	141.7 Å²	141.7	90%	0.895	76%	0.763	S	S	*	*			trans	-62.4	117.8	163.2	-65.1	165.5	0	0	0	107.1
217	I	37	Very low	36.1	Very low	136 Å²	136	138.1 Å²	138.1	70%	0.697	75%	0.752	S	S	*	*			trans	-117.8	97.3	161.9	-60.4	-72.3	0	0	0	106.7	T215 T219	T215-I217 HydrophobicContact CG2-CD1 4.03Å; T215-I217 HydrophobicContact CG2-CG1 4.09Å; T215-I217 PolarHBondContact O-N 3.26Å; I217-T219 HydrophobicContact CG2-CG2 4.45Å
218	D	36.8	Very low	35.8	Very low	136 Å²	136	137.4 Å²	137.4	73%	0.727	75%	0.752	S	S	*	*			trans	-59.9	124.8	152	173.6	27.4	0	0	0	109.5
219	T	38.1	Very low	35.6	Very low	121 Å²	121	139.2 Å²	139.2	74%	0.742	76%	0.762	S	S	*	*			trans	-161.3	100.6	152.7	48.8	0	0	0	0	110.8	I217	I217-T219 HydrophobicContact CG2-CG2 4.45Å
220	D	36.2	Very low	35.5	Very low	151 Å²	151	141.1 Å²	141.1	81%	0.807	77%	0.766	S	S	*	*			trans	9.3	114	144.1	-64.1	-39.3	0	0	0	120.4
221	Y	40.5	Very low	35.4	Very low	225 Å²	225	138.9 Å²	138.9	88%	0.882	76%	0.763	S	S	*	*			trans	-155.5	140.2	135.4	-160.4	-107	0	0	0	110.5
222	P	39.9	Very low	35.5	Very low	91 Å²	91	137.7 Å²	137.7	59%	0.591	77%	0.768	S	S	*	*			trans	-88.7	156.9	-153.2	34.8	-33.9	0	0	0	114.5	D224	P222-D224 PolarHBondContact O-N 3.09Å
223	N	33.5	Very low	35.3	Very low	145 Å²	145	143.7 Å²	143.7	78%	0.775	78%	0.776	S	S	*	*			trans	-46.8	117.6	171.9	-59.1	-64.8	0	0	0	113.6
224	D	35.8	Very low	35	Very low	163 Å²	163	145 Å²	145	87%	0.872	77%	0.774	S	S	*	*			trans	-94.6	76.1	149.1	-89.7	-21.7	0	0	0	108.5	P222 L226	P222-D224 PolarHBondContact O-N 3.09Å; D224-L226 VanDerWaalsContact C-N 3.29Å; D224-L226 PolarHBondContact O-N 3.26Å; D224-L226 VanDerWaalsContact O-N 3.11Å
225	S	35.7	Very low	35.1	Very low	104 Å²	104	149.3 Å²	149.3	73%	0.727	78%	0.782	S	S	*	*			trans	-76.5	81.7	164.6	-60.3	0	0	0	0	109.2
226	L	37.4	Very low	34.8	Very low	156 Å²	156	152.7 Å²	152.7	82%	0.817	79%	0.787	S	S	*	*			trans	-92.7	133.1	154.1	-74.8	165.2	0	0	0	106.6	D224	D224-L226 VanDerWaalsContact C-N 3.29Å; D224-L226 PolarHBondContact O-N 3.26Å; D224-L226 VanDerWaalsContact O-N 3.11Å
227	S	33.5	Very low	34.6	Very low	91 Å²	91	152 Å²	152	64%	0.636	78%	0.779	S	S	*	*			cis	-175.7	125.1	2.8	152.2	0	0	0	0	104
228	T	28.1	Very low	34.2	Very low	112 Å²	112	151.3 Å²	151.3	69%	0.687	78%	0.782	S	S	*	*			trans	18.7	122.1	149.2	56.6	0	0	0	0	117
229	N	32.9	Very low	33.8	Very low	163 Å²	163	152.7 Å²	152.7	87%	0.872	79%	0.788	S	S	*	*				-150.2	109.6	94.1	-64.8	-36.9	0	0	0	112.8
230	E	35.4	Very low	33.6	Very low	194 Å²	194	152.1 Å²	152.1	91%	0.907	79%	0.788	S	S	*	*			trans	14.6	122.9	140.2	-147.7	163.3	-177.7	0	0	121.2
231	V	36.5	Very low	33.4	Very low	122 Å²	122	152.8 Å²	152.8	74%	0.739	79%	0.787	S	S	*	*			trans	-66.7	161.5	165.2	-150.5	0	0	0	0	110.3	R233	V231-R233 VanDerWaalsContact CG1-N 3.35Å
232	P	36.5	Very low	32.8	Very low	119 Å²	119	149.1 Å²	149.1	77%	0.773	78%	0.778	S	S	*	*				-148.6	124.3	82.4	32.7	-11.1	0	0	0	115.3	K234	P232-K234 PolarHBondContact O-N 3.09Å; P232-K234 VanDerWaalsContact O-N 3.14Å
233	R	31.2	Very low	32.7	Very low	225 Å²	225	150.9 Å²	150.9	85%	0.849	79%	0.792	S	S	*	*			trans	-37.5	115.2	138.5	158.5	-157.3	-91.1	-173.9	-7.2	108.3	V231	V231-R233 VanDerWaalsContact CG1-N 3.35Å
234	K	29.4	Very low	32.8	Very low	173 Å²	173	149.6 Å²	149.6	75%	0.752	79%	0.785	S	S	*	*			trans	-173.9	112.4	134.2	-54	-161.6	-174.9	176.7	0	109.4	P232	P232-K234 PolarHBondContact O-N 3.09Å; P232-K234 VanDerWaalsContact O-N 3.14Å
235	F	33.8	Very low	32.7	Very low	225 Å²	225	148.6 Å²	148.6	99%	0.987	78%	0.784	S	S	*	*			trans	-149.4	105.1	140.2	-73.7	-66.2	0	0	0	108.6
236	K	28	Very low	32.6	Very low	183 Å²	183	147 Å²	147	80%	0.796	78%	0.784	S	S	*	*			trans	-127.5	143	165.4	176.3	169.3	176.5	175.3	0	105.3
237	E	30	Very low	32.3	Very low	156 Å²	156	146.8 Å²	146.8	73%	0.729	78%	0.784	S	S	*	*			trans	77.7	137.2	169	-121.4	143.4	167.9	0	0	114.5
238	T	28.5	Very low	32.4	Very low	122 Å²	122	148.7 Å²	148.7	75%	0.748	79%	0.787	S	S	*	*			cis	-165.4	154.1	20.7	-15.5	0	0	0	0	109.8
239	I	28.6	Very low	32.5	Very low	166 Å²	166	151.8 Å²	151.8	85%	0.851	79%	0.793	S	S	*	*			trans	-63.7	135	167.1	-50.8	156.8	0	0	0	109.2
240	S	33.6	Very low	32.5	Very low	108 Å²	108	149.7 Å²	149.7	76%	0.755	79%	0.791	S	S	*	*			trans	-164.6	97.4	156.9	-157.8	0	0	0	0	107.1
241	E	31.8	Very low	32.3	Very low	166 Å²	166	148 Å²	148	78%	0.776	79%	0.788	S	S	*	*				75.8	100.9	86.9	-158.2	171	-154.6	0	0	112.3
242	E	28.9	Very low	31.9	Very low	148 Å²	148	148.6 Å²	148.6	69%	0.692	79%	0.792	S	S	*	*			trans	42.9	113.2	144.4	-162.6	162.5	-174.7	0	0	119.5	N244	E242-N244 PolarHBondContact OE1-ND2 3.48Å
243	S	38.5	Very low	31.8	Very low	127 Å²	127	148.3 Å²	148.3	89%	0.888	79%	0.788	S	S	*	*			trans	-134	123.9	140.2	66.1	0	0	0	0	110
244	N	34.1	Very low	31.8	Very low	119 Å²	119	141.7 Å²	141.7	64%	0.636	77%	0.769	S	S	*	*			trans	-108.3	141.1	-171.2	-123.9	-29.4	0	0	0	108.1	E242	E242-N244 PolarHBondContact OE1-ND2 3.48Å
245	V	34.7	Very low	32.1	Very low	141 Å²	141	137.8 Å²	137.8	86%	0.855	76%	0.762	S	S	*	*			trans	70.8	124.1	153.3	-169.7	0	0	0	0	118.3
246	G	32.8	Very low	32.1	Very low	70 Å²	70	134.8 Å²	134.8	72%	0.722	75%	0.75	S	S	*	*			trans	161.8	72.9	153.4	0	0	0	0	0	116.9
247	D	32.4	Very low	32.3	Very low	152 Å²	152	132.5 Å²	132.5	81%	0.813	75%	0.747	S	S	*	*			trans	39.9	136.5	140.9	-96	-17.8	0	0	0	123.4
248	L	34.8	Very low	32.3	Very low	132 Å²	132	130.5 Å²	130.5	69%	0.691	74%	0.741	S	S	*	*			trans	86.4	103.5	144.1	-70.5	157.9	0	0	0	120
249	E	30.1	Very low	32.3	Very low	176 Å²	176	132.6 Å²	132.6	82%	0.822	74%	0.74	S	S	*	*				46.2	98.8	127.2	-65.7	-176.7	150.7	0	0	118.1
250	S	33.5	Very low	32.3	Very low	119 Å²	119	129.4 Å²	129.4	83%	0.832	73%	0.732	S	S	*	*				-165.7	131.9	125.9	54.4	0	0	0	0	112.4	V252	S250-V252 PolarHBondContact O-N 3.32Å
251	N	30.1	Very low	32.1	Very low	158 Å²	158	127 Å²	127	85%	0.845	72%	0.715	S	S	*	*			trans	-70.8	113.9	177	-70	-50.6	0	0	0	111.7
252	V	29.7	Very low	32	Very low	136 Å²	136	125.5 Å²	125.5	82%	0.824	71%	0.713	S	S	*	*			trans	-145.7	95.4	149.1	-179.4	0	0	0	0	107	S250 D254	S250-V252 PolarHBondContact O-N 3.32Å; V252-D254 PolarHBondContact O-N 3.49Å
253	V	33.1	Very low	32.3	Very low	112 Å²	112	121.9 Å²	121.9	68%	0.679	71%	0.708	S	S	*	*			trans	-78	109.1	170.9	173.5	0	0	0	0	107.4	L258	V253-L258 HydrophobicContact CG1-CD1 4.33Å
254	D	31.1	Very low	32.1	Very low	86 Å²	86	120.7 Å²	120.7	46%	0.46	69%	0.687	S	S	.	*			trans	-67.2	122.7	169.4	-175.4	-8.2	0	0	0	109	V252 H256 D257	V252-D254 PolarHBondContact O-N 3.49Å; D254-H256 PolarHBondContact O-N 2.86Å; D254-H256 WeakPolarHBondContact OD1-CB 3.27Å; D254-H256 IonicContact OD1-CD2 3.6Å; D254-H256 PolarHBondContact OD1-CD2 2.93Å; D254-H256 IonicContact OD1-CG 3.22Å; D254-H256 PolarHBondContact OD1-N 3.15Å; D254-D257 PolarHBondContact O-N 2.97Å
255	P	37	Very low	32.2	Very low	92 Å²	92	118 Å²	118	60%	0.597	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64	-7.3	177.8	25.7	-33.4	0	0	0	114
256	H	32.5	Very low	32.1	Very low	161 Å²	161	115 Å²	115	75%	0.745	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.3	-5.6	177.9	-66.3	-66.1	0	0	0	115	D254	D254-H256 PolarHBondContact O-N 2.86Å; D254-H256 WeakPolarHBondContact OD1-CB 3.27Å; D254-H256 IonicContact OD1-CD2 3.6Å; D254-H256 PolarHBondContact OD1-CD2 2.93Å; D254-H256 IonicContact OD1-CG 3.22Å; D254-H256 PolarHBondContact OD1-N 3.15Å
257	D	31.8	Very low	32.7	Very low	136 Å²	136	115.4 Å²	115.4	73%	0.727	64%	0.639	S	S	*	*	S	Bend	trans	-101.7	1.6	-178.1	-148	15.5	0	0	0	113.9	D254 F259	D254-D257 PolarHBondContact O-N 2.97Å; D257-F259 VanDerWaalsContact C-N 3.29Å; D257-F259 PolarHBondContact O-N 3.16Å
258	L	30.5	Very low	33.2	Very low	113 Å²	113	108.8 Å²	108.8	59%	0.592	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.7	8	-177.7	-77	166.4	0	0	0	114.7	V253	V253-L258 HydrophobicContact CG1-CD1 4.33Å
259	F	28.9	Very low	33.9	Very low	167 Å²	167	107.2 Å²	107.2	73%	0.732	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.5	11.3	-178.5	-84.1	-82.6	0	0	0	115.2	D257 S261	D257-F259 VanDerWaalsContact C-N 3.29Å; D257-F259 PolarHBondContact O-N 3.16Å; F259-S261 PolarHBondContact O-N 3.32Å
260	S	27.6	Very low	35.2	Very low	99 Å²	99	104.9 Å²	104.9	69%	0.692	58%	0.584	S	S	*	*			trans	-80.5	61.8	163.2	-159	0	0	0	0	110.7	N262	S260-N262 PolarHBondContact O-N 3.08Å
261	S	30.8	Very low	36.2	Very low	57 Å²	57	100.4 Å²	100.4	40%	0.399	55%	0.55	S	S	.	*			trans	-80.4	70.5	170.5	107.2	0	0	0	0	108.5	F259 A263 F264 P265	F259-S261 PolarHBondContact O-N 3.32Å; S261-A263 PolarHBondContact O-N 3.07Å; S261-F264 PolarHBondContact O-N 3.32Å; S261-F264 VanDerWaalsContact OG-CD2 3.32Å; S261-F264 WeakPolarHBondContact OG-CD2 3.04Å; S261-P265 WeakPolarHBondContact O-CD 3.24Å
262	N	30.1	Very low	37.4	Very low	135 Å²	135	95.5 Å²	95.5	72%	0.722	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	4.8	173.6	-125.3	14.2	0	0	0	112.8	S260	S260-N262 PolarHBondContact O-N 3.08Å
263	A	34.6	Very low	38.8	Very low	71 Å²	71	91.3 Å²	91.3	59%	0.587	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97	-13.5	178.4	0	0	0	0	0	114.2	S261	S261-A263 PolarHBondContact O-N 3.07Å
264	F	33.7	Very low	40.1	Very low	103 Å²	103	88.1 Å²	88.1	45%	0.452	48%	0.482	S	S	.	.	S	Bend	trans	-107.1	-31.3	-174.2	-69.5	-88	0	0	0	116.7	S261 V266	S261-F264 PolarHBondContact O-N 3.32Å; S261-F264 VanDerWaalsContact OG-CD2 3.32Å; S261-F264 WeakPolarHBondContact OG-CD2 3.04Å; F264-V266 VanDerWaalsContact C-N 3.3Å; F264-V266 PolarHBondContact O-N 3.26Å
265	P	36.8	Very low	41.5	Very low	63 Å²	63	85.2 Å²	85.2	41%	0.409	47%	0.466	S	S	.	.	H	α-helix	trans	-70.3	-27.6	179.9	25.1	-31	0	0	0	112.8	S261 K267 C268 D269	S261-P265 WeakPolarHBondContact O-CD 3.24Å; P265-K267 PolarHBondContact O-N 3.36Å; P265-C268 PolarHBondContact O-N 3.38Å; P265-C268 VanDerWaalsContact O-N 3.14Å; P265-D269 PolarHBondContact O-N 2.52Å
266	V	32.7	Very low	42.4	Very low	77 Å²	77	83.3 Å²	83.3	47%	0.467	45%	0.453	S	S	.	.	H	α-helix	trans	-61.1	-23.5	-175.9	-177	0	0	0	0	113.5	F264	F264-V266 VanDerWaalsContact C-N 3.3Å; F264-V266 PolarHBondContact O-N 3.26Å
267	K	45.7	Very low	43.5	Very low	78 Å²	78	79.1 Å²	79.1	34%	0.339	44%	0.439	S	S	.	.	H	α-helix	trans	-82.6	-35.9	178.9	-66.5	-174.6	-177.2	180	0	112.3	P265 D269 K270 H271	P265-K267 PolarHBondContact O-N 3.36Å; K267-D269 VanDerWaalsContact C-N 3.31Å; K267-D269 PolarHBondContact O-N 3.22Å; K267-K270 WeakPolarHBondContact O-CB 3.46Å; K267-K270 PolarHBondContact O-N 3.11Å; K267-K270 VanDerWaalsContact O-N 3.14Å; K267-H271 PolarHBondContact O-CD2 3Å; K267-H271 PolarHBondContact O-N 3.22Å
268	C	42.4	Very low	44.6	Very low	13 Å²	13	80.1 Å²	80.1	9%	0.088	43%	0.432	C	S	.	.	H	α-helix	trans	-63.1	-40	174.6	-71.9	0	0	0	0	111.8	F19 F185 P265 K270 H271 I272	F19-C268 VanDerWaalsContact CE2-SG 3.51Å; F19-C268 WeakPolarHBondContact CZ-SG 3.33Å; F185-C268 HydrophobicContact CE1-CB 4.45Å; F185-C268 WeakPolarHBondContact CE1-SG 3.26Å; P265-C268 PolarHBondContact O-N 3.38Å; P265-C268 VanDerWaalsContact O-N 3.14Å; C268-K270 PolarHBondContact O-N 3.29Å; C268-H271 PolarHBondContact O-N 3.25Å; C268-H271 VanDerWaalsContact O-N 3.1Å; C268-I272 WeakPolarHBondContact O-CG1 3.46Å; C268-I272 PolarHBondContact O-N 3.48Å
269	D	48.9	Very low	45.7	Very low	100 Å²	100	77.3 Å²	77.3	54%	0.535	42%	0.418	S	S	.	.	H	α-helix	trans	-56	-34.9	175.2	-66.9	-20.4	0	0	0	111.7	P265 K267 A273	P265-D269 PolarHBondContact O-N 2.52Å; K267-D269 VanDerWaalsContact C-N 3.31Å; K267-D269 PolarHBondContact O-N 3.22Å; D269-A273 WeakPolarHBondContact O-CB 3.37Å; D269-A273 PolarHBondContact O-N 3.24Å
270	K	57	Low	46.6	Very low	126 Å²	126	78.5 Å²	78.5	55%	0.548	42%	0.419	S	S	.	.	H	α-helix	trans	-68.1	-42.4	177.9	-66	178.4	-177.4	-175.9	0	112.4	K267 C268 A273 L274	K267-K270 WeakPolarHBondContact O-CB 3.46Å; K267-K270 PolarHBondContact O-N 3.11Å; K267-K270 VanDerWaalsContact O-N 3.14Å; C268-K270 PolarHBondContact O-N 3.29Å; K270-A273 PolarHBondContact O-N 3.16Å; K270-L274 VanDerWaalsContact O-CB 3.29Å; K270-L274 WeakPolarHBondContact O-CB 3.31Å; K270-L274 PolarHBondContact O-N 3.09Å
271	H	55.3	Low	47.4	Very low	25 Å²	25	80.3 Å²	80.3	12%	0.116	42%	0.416	C	S	.	.	H	α-helix	trans	-72.2	-38.4	-179.2	-55.4	-60.3	0	0	0	111.5	D60 K267 C268 L274 I275	D60-H271 IonicContact OD2-CE1 2.63Å; D60-H271 PolarHBondContact OD2-CE1 3.22Å; D60-H271 IonicContact OD2-NE2 3.73Å; K267-H271 PolarHBondContact O-CD2 3Å; K267-H271 PolarHBondContact O-N 3.22Å; C268-H271 PolarHBondContact O-N 3.25Å; C268-H271 VanDerWaalsContact O-N 3.1Å; H271-L274 PolarHBondContact O-N 3.18Å; H271-I275 VanDerWaalsContact O-CG1 3.29Å; H271-I275 WeakPolarHBondContact O-CG1 3.44Å; H271-I275 PolarHBondContact O-N 2.98Å
272	I	54.5	Low	48	Very low	55 Å²	55	80.2 Å²	80.2	28%	0.282	41%	0.411	S	S	.	.	H	α-helix	trans	-64.2	-46.6	172.5	-62.2	167.9	0	0	0	109.5	L182 C268 L274 I275 V276	L182-I272 HydrophobicContact CD2-CD1 3.44Å; L182-I272 VanDerWaalsContact CD2-CD1 3.44Å; L182-I272 HydrophobicContact CD2-CG1 4.02Å; C268-I272 WeakPolarHBondContact O-CG1 3.46Å; C268-I272 PolarHBondContact O-N 3.48Å; I272-L274 VanDerWaalsContact C-N 3.28Å; I272-L274 PolarHBondContact O-N 3.03Å; I272-I275 PolarHBondContact O-N 3.07Å; I272-V276 HydrophobicContact CG2-CG2 4.4Å; I272-V276 VanDerWaalsContact O-CG2 3.27Å; I272-V276 WeakPolarHBondContact O-CG2 3.35Å; I272-V276 PolarHBondContact O-N 3.39Å
273	A	58.8	Low	48.5	Very low	48 Å²	48	77.2 Å²	77.2	40%	0.397	40%	0.399	S	S	.	.	H	α-helix	trans	-59.3	-39.4	174.7	0	0	0	0	0	111.7	D269 K270 V276 T277	D269-A273 WeakPolarHBondContact O-CB 3.37Å; D269-A273 PolarHBondContact O-N 3.24Å; K270-A273 PolarHBondContact O-N 3.16Å; A273-V276 PolarHBondContact O-N 3.38Å; A273-T277 VanDerWaalsContact O-CB 3.32Å; A273-T277 WeakPolarHBondContact O-CB 3.32Å; A273-T277 PolarHBondContact O-N 3.14Å; A273-T277 PolarHBondContact O-OG1 3.39Å
274	L	60.3	Low	49.2	Very low	46 Å²	46	78.5 Å²	78.5	24%	0.241	40%	0.4	C	S	.	.	H	α-helix	trans	-63	-46.5	177.1	-160.6	126.7	0	0	0	110.7	L53 E56 K270 H271 I272 V276 T277 W278	L53-L274 HydrophobicContact CD2-CD2 3.91Å; E56-L274 WeakPolarHBondContact OE1-CD1 3.36Å; K270-L274 VanDerWaalsContact O-CB 3.29Å; K270-L274 WeakPolarHBondContact O-CB 3.31Å; K270-L274 PolarHBondContact O-N 3.09Å; H271-L274 PolarHBondContact O-N 3.18Å; I272-L274 VanDerWaalsContact C-N 3.28Å; I272-L274 PolarHBondContact O-N 3.03Å; L274-V276 VanDerWaalsContact C-N 3.32Å; L274-V276 PolarHBondContact O-N 3.48Å; L274-T277 PolarHBondContact O-N 3.02Å; L274-W278 WeakPolarHBondContact O-CB 3.32Å; L274-W278 PolarHBondContact O-N 2.95Å
275	I	60.5	Low	49.9	Very low	25 Å²	25	75.7 Å²	75.7	13%	0.128	39%	0.391	C	S	.	.	H	α-helix	trans	-58.9	-43.8	174.8	-65.6	162.7	0	0	0	110.9	F26 L30 H271 I272 L279	F26-I275 HydrophobicContact CE1-CD1 3.89Å; F26-I275 HydrophobicContact CZ-CD1 4.22Å; L30-I275 HydrophobicContact CD2-CD1 4.19Å; H271-I275 VanDerWaalsContact O-CG1 3.29Å; H271-I275 WeakPolarHBondContact O-CG1 3.44Å; H271-I275 PolarHBondContact O-N 2.98Å; I272-I275 PolarHBondContact O-N 3.07Å; I275-L279 HydrophobicContact CG2-CD1 4.18Å; I275-L279 VanDerWaalsContact O-CG 3.32Å; I275-L279 WeakPolarHBondContact O-CG 3.45Å; I275-L279 PolarHBondContact O-N 3.11Å; I275-L279 VanDerWaalsContact O-N 3.08Å
276	V	55.9	Low	50.4	Low	51 Å²	51	76 Å²	76	31%	0.309	39%	0.386	S	S	.	.	H	α-helix	trans	-68	-44.2	179.7	173.9	0	0	0	0	112.4	F194 I272 A273 L274 W278 L279 Y280	F194-V276 HydrophobicContact CE1-CG1 4.41Å; F194-V276 HydrophobicContact CE1-CG2 4.14Å; F194-V276 HydrophobicContact CE2-CG2 4.22Å; F194-V276 HydrophobicContact CZ-CG2 3.45Å; F194-V276 VanDerWaalsContact CZ-CG2 3.45Å; I272-V276 HydrophobicContact CG2-CG2 4.4Å; I272-V276 VanDerWaalsContact O-CG2 3.27Å; I272-V276 WeakPolarHBondContact O-CG2 3.35Å; I272-V276 PolarHBondContact O-N 3.39Å; A273-V276 PolarHBondContact O-N 3.38Å; L274-V276 VanDerWaalsContact C-N 3.32Å; L274-V276 PolarHBondContact O-N 3.48Å; V276-W278 VanDerWaalsContact C-N 3.33Å; V276-W278 PolarHBondContact O-N 2.89Å; V276-L279 PolarHBondContact O-N 3Å; V276-Y280 PolarHBondContact O-N 3.15Å
277	T	56.8	Low	51.2	Low	74 Å²	74	82.3 Å²	82.3	45%	0.454	40%	0.401	S	S	.	.	H	α-helix	trans	-63.2	-41.5	178.2	-61.6	0	0	0	0	110.5	A273 L274 Y280 E281	A273-T277 VanDerWaalsContact O-CB 3.32Å; A273-T277 WeakPolarHBondContact O-CB 3.32Å; A273-T277 PolarHBondContact O-N 3.14Å; A273-T277 PolarHBondContact O-OG1 3.39Å; L274-T277 PolarHBondContact O-N 3.02Å; T277-Y280 PolarHBondContact O-N 3.25Å; T277-Y280 VanDerWaalsContact O-N 3.15Å; T277-E281 HydrophobicContact CG2-CG 3.7Å; T277-E281 WeakPolarHBondContact O-CB 3.49Å; T277-E281 WeakPolarHBondContact O-CG 3.25Å; T277-E281 PolarHBondContact O-N 3.37Å
278	W	55.5	Low	51	Low	156 Å²	156	81.4 Å²	81.4	59%	0.591	41%	0.414	S	S	*	.	H	α-helix	trans	-68.1	-35	177.1	-84.4	100.4	0	0	0	113.4	L274 V276 Y280	L274-W278 WeakPolarHBondContact O-CB 3.32Å; L274-W278 PolarHBondContact O-N 2.95Å; V276-W278 VanDerWaalsContact C-N 3.33Å; V276-W278 PolarHBondContact O-N 2.89Å; W278-Y280 PolarHBondContact O-N 3.28Å
279	L	53	Low	50.5	Low	54 Å²	54	85 Å²	85	28%	0.283	45%	0.453	S	S	.	.	H	α-helix	trans	-65.1	-23	172.4	-74.5	169.8	0	0	0	113.1	I177 I275 V276 F286	I177-L279 HydrophobicContact CD1-CD2 3.81Å; I275-L279 HydrophobicContact CG2-CD1 4.18Å; I275-L279 VanDerWaalsContact O-CG 3.32Å; I275-L279 WeakPolarHBondContact O-CG 3.45Å; I275-L279 PolarHBondContact O-N 3.11Å; I275-L279 VanDerWaalsContact O-N 3.08Å; V276-L279 PolarHBondContact O-N 3Å; L279-F286 HydrophobicContact CD2-CZ 4.08Å
280	Y	48.3	Very low	49.7	Very low	193 Å²	193	87.3 Å²	87.3	76%	0.757	50%	0.501	S	S	*	.	H	α-helix	trans	-100.8	-38.1	-176.1	-169.8	-97.6	0	0	0	114.3	V276 T277 W278	V276-Y280 PolarHBondContact O-N 3.15Å; T277-Y280 PolarHBondContact O-N 3.25Å; T277-Y280 VanDerWaalsContact O-N 3.15Å; W278-Y280 PolarHBondContact O-N 3.28Å
281	E	44.7	Very low	49.3	Very low	137 Å²	137	85.4 Å²	85.4	64%	0.64	50%	0.499	S	S	*	.	H	α-helix	trans	-78.2	-27.1	-170.8	-76.3	-70.5	154.2	0	0	114.1	T277 P283	T277-E281 HydrophobicContact CG2-CG 3.7Å; T277-E281 WeakPolarHBondContact O-CB 3.49Å; T277-E281 WeakPolarHBondContact O-CG 3.25Å; T277-E281 PolarHBondContact O-N 3.37Å; E281-P283 VanDerWaalsContact C-CD 3.42Å; E281-P283 VanDerWaalsContact O-CD 3.32Å; E281-P283 WeakPolarHBondContact O-CD 3.15Å
282	D	41.6	Very low	49	Very low	55 Å²	55	88.6 Å²	88.6	29%	0.294	52%	0.519	S	S	.	.			trans	-123.4	73.1	179.9	-156.6	-15.1	0	0	0	112.3	T284 V285	D282-T284 PolarHBondContact O-N 3.46Å; D282-T284 VanDerWaalsContact O-N 3.09Å; D282-T284 VanDerWaalsContact OD1-CB 3.25Å; D282-T284 WeakPolarHBondContact OD1-CB 3.44Å; D282-T284 PolarHBondContact OD1-N 2.94Å; D282-T284 PolarHBondContact OD1-OG1 3.43Å; D282-V285 HydrophobicContact CB-CG2 3.58Å; D282-V285 WeakPolarHBondContact O-CB 3.38Å; D282-V285 WeakPolarHBondContact O-CG2 3.21Å; D282-V285 PolarHBondContact O-N 2.98Å; D282-V285 VanDerWaalsContact O-N 3.16Å; D282-V285 WeakPolarHBondContact OD2-CG2 3.32Å
283	P	41.9	Very low	48.7	Very low	72 Å²	72	90.4 Å²	90.4	47%	0.468	53%	0.532	S	S	.	.	G	3₁₀ helix	trans	-63.6	-11.5	173	26.2	-32.5	0	0	0	112.4	E281 V285	E281-P283 VanDerWaalsContact C-CD 3.42Å; E281-P283 VanDerWaalsContact O-CD 3.32Å; E281-P283 WeakPolarHBondContact O-CD 3.15Å; P283-V285 VanDerWaalsContact C-N 3.34Å
284	T	48.4	Very low	48.1	Very low	97 Å²	97	92.9 Å²	92.9	60%	0.595	54%	0.54	S	S	*	.	G	3₁₀ helix	trans	-75.4	-19.8	175.9	8.2	0	0	0	0	113.4	D282 F286 R287	D282-T284 PolarHBondContact O-N 3.46Å; D282-T284 VanDerWaalsContact O-N 3.09Å; D282-T284 VanDerWaalsContact OD1-CB 3.25Å; D282-T284 WeakPolarHBondContact OD1-CB 3.44Å; D282-T284 PolarHBondContact OD1-N 2.94Å; D282-T284 PolarHBondContact OD1-OG1 3.43Å; T284-F286 PolarHBondContact O-N 3Å; T284-R287 WeakPolarHBondContact O-CB 3.5Å; T284-R287 PolarHBondContact O-N 3.35Å; T284-R287 VanDerWaalsContact O-N 3.11Å
285	V	49.7	Very low	47.3	Very low	45 Å²	45	95.9 Å²	95.9	27%	0.273	56%	0.559	S	S	.	*	G	3₁₀ helix	trans	-63.6	-26.9	174.4	-173.5	0	0	0	0	111.8	E45 D282 P283 R287	E45-V285 VanDerWaalsContact OE1-CG1 3.31Å; E45-V285 WeakPolarHBondContact OE1-CG1 3.41Å; D282-V285 HydrophobicContact CB-CG2 3.58Å; D282-V285 WeakPolarHBondContact O-CB 3.38Å; D282-V285 WeakPolarHBondContact O-CG2 3.21Å; D282-V285 PolarHBondContact O-N 2.98Å; D282-V285 VanDerWaalsContact O-N 3.16Å; D282-V285 WeakPolarHBondContact OD2-CG2 3.32Å; P283-V285 VanDerWaalsContact C-N 3.34Å; V285-R287 VanDerWaalsContact C-N 3.31Å; V285-R287 PolarHBondContact O-N 3.41Å
286	F	46.7	Very low	46.5	Very low	69 Å²	69	100.6 Å²	100.6	30%	0.303	59%	0.587	S	S	.	*	G	3₁₀ helix	trans	-84.3	-2.4	178.4	-66	-91	0	0	0	113.8	C39 I177 L279 T284 G288	C39-F286 HydrophobicContact CB-CD1 3.45Å; C39-F286 VanDerWaalsContact CB-CD1 3.45Å; C39-F286 HydrophobicContact CB-CE1 3.73Å; I177-F286 HydrophobicContact CD1-CE1 4.39Å; I177-F286 HydrophobicContact CD1-CZ 4.45Å; L279-F286 HydrophobicContact CD2-CZ 4.08Å; T284-F286 PolarHBondContact O-N 3Å; F286-G288 VanDerWaalsContact C-N 3.28Å; F286-G288 PolarHBondContact O-N 3.19Å
287	R	49.3	Very low	45.8	Very low	210 Å²	210	104.1 Å²	104.1	79%	0.792	61%	0.607	S	S	*	*			trans	-84.2	78.6	176	-169.3	179.1	-90.7	-125	1.4	108.6	T284 V285 G289	T284-R287 WeakPolarHBondContact O-CB 3.5Å; T284-R287 PolarHBondContact O-N 3.35Å; T284-R287 VanDerWaalsContact O-N 3.11Å; V285-R287 VanDerWaalsContact C-N 3.31Å; V285-R287 PolarHBondContact O-N 3.41Å; R287-G289 PolarHBondContact O-N 3.45Å
288	G	40.9	Very low	45	Very low	59 Å²	59	106.5 Å²	106.5	61%	0.608	62%	0.619	S	S	*	*			trans	-47.4	115.8	161.9	0	0	0	0	0	108.9	F286 G290	F286-G288 VanDerWaalsContact C-N 3.28Å; F286-G288 PolarHBondContact O-N 3.19Å; G288-G290 PolarHBondContact O-N 3.4Å
289	G	33.5	Very low	44.1	Very low	87 Å²	87	102.3 Å²	102.3	90%	0.897	62%	0.621	S	S	*	*			trans	-62.3	115.2	174.8	0	0	0	0	0	109.5	R287	R287-G289 PolarHBondContact O-N 3.45Å
290	G	30.9	Very low	43.3	Very low	150 Å²	150	106.7 Å²	106.7	100%	1.546	65%	0.652	S	S	*	*			trans	-155.7	0	172.8	0	0	0	0	0	109.4	G288	G288-G290 PolarHBondContact O-N 3.4Å

Retrieved 290 of 290 residues in 195 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).