G4M0F7_SCHMA Loading...

Vacuolar ATP synthase subunit e, putative

AlphaFold DB , UniProt , Accession G4M0F7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 225 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	46.8	Very low	74.7	Confident	244 Å²	244	127 Å²	127	100%	1.202	64%	0.64	S	S	*	*				0	96.2	0	-68.7	-178.1	-169.4	0	0	106.7
2	T	52.6	Low	75.8	Confident	143 Å²	143	123.8 Å²	123.8	88%	0.877	63%	0.625	S	S	*	*	P	Polyproline II helix	trans	-77.6	126.1	178.7	44.9	0	0	0	0	108.1	N4	T2-N4 PolarHBondContact O-N 3.01Å
3	L	61.4	Low	76.9	Confident	110 Å²	110	126.1 Å²	126.1	58%	0.576	62%	0.621	S	S	*	*	P	Polyproline II helix	trans	-50.2	137.4	176	-79.1	134	0	0	0	110.4	E7 V8	L3-E7 HydrophobicContact CD2-CB 4.47Å; L3-V8 HydrophobicContact CB-CG2 3.93Å
4	N	76.6	Confident	77.9	Confident	101 Å²	101	126.8 Å²	126.8	54%	0.54	62%	0.622	S	S	.	*	P	Polyproline II helix	trans	-70.1	133.7	175.6	-161.5	-4.1	0	0	0	108.2	T2 T6 E7 V8	T2-N4 PolarHBondContact O-N 3.01Å; N4-T6 PolarHBondContact ND2-OG1 3.26Å; N4-T6 PolarHBondContact O-N 2.83Å; N4-E7 HydrophobicContact CB-CG 4.21Å; N4-E7 WeakPolarHBondContact O-CB 3.1Å; N4-E7 PolarHBondContact O-N 3.43Å; N4-V8 PolarHBondContact O-N 3.01Å
5	D	78.7	Confident	78.8	Confident	128 Å²	128	125.5 Å²	125.5	68%	0.684	62%	0.616	S	S	*	*	H	α-helix	trans	-53.9	-28.2	-176.7	-79.1	-24.1	0	0	0	112.9	V8 Q9	D5-V8 PolarHBondContact O-N 2.8Å; D5-Q9 WeakPolarHBondContact O-CG 3.22Å; D5-Q9 PolarHBondContact O-N 2.97Å
6	T	83.1	Confident	79.6	Confident	85 Å²	85	125.3 Å²	125.3	52%	0.521	61%	0.614	S	S	.	*	H	α-helix	trans	-67.3	-35.3	174.9	49.9	0	0	0	0	113.7	N4 R10	N4-T6 PolarHBondContact ND2-OG1 3.26Å; N4-T6 PolarHBondContact O-N 2.83Å; T6-R10 PolarHBondContact O-N 2.94Å; T6-R10 VanDerWaalsContact O-N 3.09Å
7	E	81.7	Confident	80.4	Confident	109 Å²	109	121.4 Å²	121.4	51%	0.509	61%	0.607	S	S	.	*	H	α-helix	trans	-70.9	-42.1	175.3	-67.4	175.7	158.2	0	0	110.7	L3 N4 Q9 R10 Q11	L3-E7 HydrophobicContact CD2-CB 4.47Å; N4-E7 HydrophobicContact CB-CG 4.21Å; N4-E7 WeakPolarHBondContact O-CB 3.1Å; N4-E7 PolarHBondContact O-N 3.43Å; E7-Q9 PolarHBondContact O-N 2.82Å; E7-R10 PolarHBondContact O-N 2.8Å; E7-R10 VanDerWaalsContact O-N 3.16Å; E7-Q11 PolarHBondContact O-N 3.25Å
8	V	83	Confident	81.2	Confident	54 Å²	54	121.1 Å²	121.1	33%	0.327	60%	0.602	S	S	.	*	H	α-helix	trans	-59.7	-46.4	175	179.5	0	0	0	0	110.5	L3 N4 D5 R10 Q11 I12	L3-V8 HydrophobicContact CB-CG2 3.93Å; N4-V8 PolarHBondContact O-N 3.01Å; D5-V8 PolarHBondContact O-N 2.8Å; V8-R10 VanDerWaalsContact C-N 3.33Å; V8-R10 PolarHBondContact O-N 3.32Å; V8-Q11 PolarHBondContact O-N 2.89Å; V8-I12 HydrophobicContact CG1-CD1 3.96Å; V8-I12 HydrophobicContact CG1-CG1 4.49Å; V8-I12 WeakPolarHBondContact O-CG1 3.32Å; V8-I12 PolarHBondContact O-N 2.84Å
9	Q	84.9	Confident	81.9	Confident	113 Å²	113	120.2 Å²	120.2	53%	0.528	60%	0.598	S	S	.	*	H	α-helix	trans	-64.3	-33.2	175.9	-75.3	-174.4	-4.5	0	0	113.6	D5 E7 R13	D5-Q9 WeakPolarHBondContact O-CG 3.22Å; D5-Q9 PolarHBondContact O-N 2.97Å; E7-Q9 PolarHBondContact O-N 2.82Å; Q9-R13 WeakPolarHBondContact O-CG 3.48Å; Q9-R13 PolarHBondContact O-N 3.13Å; Q9-R13 VanDerWaalsContact O-N 3.13Å; Q9-R13 PolarHBondContact O-NE 3.46Å
10	R	86.5	Confident	82.6	Confident	194 Å²	194	118.2 Å²	118.2	73%	0.732	59%	0.589	S	S	*	*	H	α-helix	trans	-68.6	-41.7	174.1	-175.7	-177.5	-96.9	172.2	-6.7	110.7	T6 E7 V8 R13 H14	T6-R10 PolarHBondContact O-N 2.94Å; T6-R10 VanDerWaalsContact O-N 3.09Å; E7-R10 PolarHBondContact O-N 2.8Å; E7-R10 VanDerWaalsContact O-N 3.16Å; V8-R10 VanDerWaalsContact C-N 3.33Å; V8-R10 PolarHBondContact O-N 3.32Å; R10-R13 PolarHBondContact O-N 3.35Å; R10-H14 PolarHBondContact O-N 2.76Å
11	Q	86.5	Confident	83.2	Confident	116 Å²	116	117.7 Å²	117.7	54%	0.542	59%	0.586	S	S	.	*	H	α-helix	trans	-65.3	-43.1	177	-168.7	174.9	2.9	0	0	112	E7 V8 R13 H14 M15	E7-Q11 PolarHBondContact O-N 3.25Å; V8-Q11 PolarHBondContact O-N 2.89Å; Q11-R13 PolarHBondContact O-N 3.06Å; Q11-H14 PolarHBondContact O-N 3.14Å; Q11-M15 WeakPolarHBondContact O-CG 3.02Å; Q11-M15 PolarHBondContact O-N 3.49Å
12	I	87.6	Confident	85.5	Confident	89 Å²	89	111.5 Å²	111.5	46%	0.456	55%	0.554	S	S	.	*	H	α-helix	trans	-60.1	-45.2	174.6	-68.5	169.5	0	0	0	110.9	V8 H14 M15 M16	V8-I12 HydrophobicContact CG1-CD1 3.96Å; V8-I12 HydrophobicContact CG1-CG1 4.49Å; V8-I12 WeakPolarHBondContact O-CG1 3.32Å; V8-I12 PolarHBondContact O-N 2.84Å; I12-H14 VanDerWaalsContact C-N 3.34Å; I12-H14 PolarHBondContact O-N 3.35Å; I12-M15 PolarHBondContact O-N 2.99Å; I12-M16 HydrophobicContact CG2-CG 4.35Å; I12-M16 HydrophobicContact CG2-SD 4.05Å; I12-M16 WeakPolarHBondContact O-CG 3.43Å; I12-M16 PolarHBondContact O-N 2.91Å
13	R	90.5	Very high	87.6	Confident	153 Å²	153	107 Å²	107	58%	0.577	53%	0.531	S	S	*	.	H	α-helix	trans	-62.3	-40.2	176.5	-79.5	-177.8	-73.1	-153.8	-2.5	112.7	Q9 R10 Q11 M16 A17	Q9-R13 WeakPolarHBondContact O-CG 3.48Å; Q9-R13 PolarHBondContact O-N 3.13Å; Q9-R13 VanDerWaalsContact O-N 3.13Å; Q9-R13 PolarHBondContact O-NE 3.46Å; R10-R13 PolarHBondContact O-N 3.35Å; Q11-R13 PolarHBondContact O-N 3.06Å; R13-M16 PolarHBondContact O-N 2.8Å; R13-A17 WeakPolarHBondContact O-CB 3.34Å; R13-A17 PolarHBondContact O-N 2.87Å
14	H	90.3	Very high	89.2	Confident	136 Å²	136	109.1 Å²	109.1	63%	0.63	53%	0.531	S	S	*	.	H	α-helix	trans	-63.6	-42.9	174.4	-175.3	-86.6	0	0	0	111.5	R10 Q11 I12 A17 F18	R10-H14 PolarHBondContact O-N 2.76Å; Q11-H14 PolarHBondContact O-N 3.14Å; I12-H14 VanDerWaalsContact C-N 3.34Å; I12-H14 PolarHBondContact O-N 3.35Å; H14-A17 PolarHBondContact O-N 3.47Å; H14-F18 WeakPolarHBondContact O-CB 3.42Å; H14-F18 PolarHBondContact O-N 3.4Å
15	M	91.3	Very high	90.1	Very high	108 Å²	108	109.4 Å²	109.4	53%	0.532	53%	0.529	S	S	.	.	H	α-helix	trans	-63.2	-41.8	174.7	-70.8	178.8	70.1	0	0	112.1	Q11 I12 F18 I19	Q11-M15 WeakPolarHBondContact O-CG 3.02Å; Q11-M15 PolarHBondContact O-N 3.49Å; I12-M15 PolarHBondContact O-N 2.99Å; M15-F18 PolarHBondContact O-N 3.04Å; M15-I19 VanDerWaalsContact O-CG1 3.26Å; M15-I19 WeakPolarHBondContact O-CG1 3.47Å; M15-I19 PolarHBondContact O-N 3.43Å
16	M	92.3	Very high	91	Very high	121 Å²	121	108.4 Å²	108.4	60%	0.596	52%	0.519	S	S	*	.	H	α-helix	trans	-63.9	-41.5	175.4	-71.9	176.8	68.5	0	0	112.2	I12 R13 F18 I19 D20	I12-M16 HydrophobicContact CG2-CG 4.35Å; I12-M16 HydrophobicContact CG2-SD 4.05Å; I12-M16 WeakPolarHBondContact O-CG 3.43Å; I12-M16 PolarHBondContact O-N 2.91Å; R13-M16 PolarHBondContact O-N 2.8Å; M16-F18 VanDerWaalsContact C-N 3.35Å; M16-I19 PolarHBondContact O-N 3.27Å; M16-D20 PolarHBondContact O-N 3.39Å
17	A	93.6	Very high	91.6	Very high	59 Å²	59	108.1 Å²	108.1	49%	0.488	52%	0.517	S	S	.	.	H	α-helix	trans	-65.4	-38.7	176.3	0	0	0	0	0	111.9	R13 H14 D20 Q21	R13-A17 WeakPolarHBondContact O-CB 3.34Å; R13-A17 PolarHBondContact O-N 2.87Å; H14-A17 PolarHBondContact O-N 3.47Å; A17-D20 PolarHBondContact O-N 2.96Å; A17-Q21 WeakPolarHBondContact O-CB 3.33Å; A17-Q21 PolarHBondContact O-N 3.47Å
18	F	94.6	Very high	92.3	Very high	117 Å²	117	109.4 Å²	109.4	51%	0.513	52%	0.523	S	S	.	.	H	α-helix	trans	-62.8	-45	173.3	-177.8	-92.6	0	0	0	111.6	H14 M15 M16 D20 Q21 E22	H14-F18 WeakPolarHBondContact O-CB 3.42Å; H14-F18 PolarHBondContact O-N 3.4Å; M15-F18 PolarHBondContact O-N 3.04Å; M16-F18 VanDerWaalsContact C-N 3.35Å; F18-D20 PolarHBondContact O-N 2.89Å; F18-Q21 PolarHBondContact O-N 2.96Å; F18-E22 WeakPolarHBondContact CE1-OE2 3.16Å; F18-E22 WeakPolarHBondContact O-CB 3.39Å; F18-E22 PolarHBondContact O-N 3.1Å
19	I	95	Very high	92.9	Very high	104 Å²	104	110.5 Å²	110.5	53%	0.533	52%	0.524	S	S	.	.	H	α-helix	trans	-61.9	-42.2	175.8	-67.6	164.3	0	0	0	111.3	M15 M16 A23	M15-I19 VanDerWaalsContact O-CG1 3.26Å; M15-I19 WeakPolarHBondContact O-CG1 3.47Å; M15-I19 PolarHBondContact O-N 3.43Å; M16-I19 PolarHBondContact O-N 3.27Å; I19-A23 VanDerWaalsContact O-CB 3.24Å; I19-A23 WeakPolarHBondContact O-CB 3.44Å; I19-A23 PolarHBondContact O-N 3.5Å
20	D	94.6	Very high	93.5	Very high	79 Å²	79	109.7 Å²	109.7	42%	0.422	52%	0.523	S	S	.	.	H	α-helix	trans	-66.3	-39.9	177.3	-166.5	50.1	0	0	0	111.6	M16 A17 F18 A23 R24	M16-D20 PolarHBondContact O-N 3.39Å; A17-D20 PolarHBondContact O-N 2.96Å; F18-D20 PolarHBondContact O-N 2.89Å; D20-A23 PolarHBondContact O-N 3.3Å; D20-R24 WeakPolarHBondContact O-CB 3.48Å; D20-R24 VanDerWaalsContact O-CG 3.26Å; D20-R24 WeakPolarHBondContact O-CG 3.35Å; D20-R24 PolarHBondContact O-N 3.3Å; D20-R24 IonicContact OD1-NE 3.04Å; D20-R24 IonicContact OD2-CZ 3.46Å; D20-R24 VanDerWaalsContact OD2-CZ 3.31Å; D20-R24 IonicContact OD2-NE 2.83Å; D20-R24 PolarHBondContact OD2-NE 3.11Å; D20-R24 IonicContact OD2-NH2 3.14Å; D20-R24 PolarHBondContact OD2-NH2 2.78Å
21	Q	95.1	Very high	93.9	Very high	109 Å²	109	105.3 Å²	105.3	51%	0.509	51%	0.514	S	S	.	.	H	α-helix	trans	-65.2	-47.8	175.4	-177.3	177.3	-10.2	0	0	111.6	A17 F18 A23 R24 E25	A17-Q21 WeakPolarHBondContact O-CB 3.33Å; A17-Q21 PolarHBondContact O-N 3.47Å; F18-Q21 PolarHBondContact O-N 2.96Å; Q21-A23 VanDerWaalsContact C-N 3.29Å; Q21-A23 PolarHBondContact O-N 3.15Å; Q21-R24 PolarHBondContact O-N 3.13Å; Q21-R24 VanDerWaalsContact O-N 3.16Å; Q21-E25 PolarHBondContact NE2-OE1 2.94Å; Q21-E25 WeakPolarHBondContact O-CG 3.45Å; Q21-E25 PolarHBondContact O-N 3.42Å
22	E	95.5	Very high	94.4	Very high	113 Å²	113	102.8 Å²	102.8	53%	0.528	51%	0.513	S	S	.	.	H	α-helix	trans	-61	-39.7	177.4	-173.1	177.4	-170	0	0	111.2	F18 K26	F18-E22 WeakPolarHBondContact CE1-OE2 3.16Å; F18-E22 WeakPolarHBondContact O-CB 3.39Å; F18-E22 PolarHBondContact O-N 3.1Å; E22-K26 WeakPolarHBondContact O-CB 3.47Å; E22-K26 PolarHBondContact O-N 3.14Å
23	A	96.6	Very high	94.9	Very high	48 Å²	48	103.5 Å²	103.5	40%	0.397	51%	0.513	S	S	.	.	H	α-helix	trans	-64	-42.2	174.3	0	0	0	0	0	112.2	I19 D20 Q21 K26 V27	I19-A23 VanDerWaalsContact O-CB 3.24Å; I19-A23 WeakPolarHBondContact O-CB 3.44Å; I19-A23 PolarHBondContact O-N 3.5Å; D20-A23 PolarHBondContact O-N 3.3Å; Q21-A23 VanDerWaalsContact C-N 3.29Å; Q21-A23 PolarHBondContact O-N 3.15Å; A23-K26 PolarHBondContact O-N 2.79Å; A23-V27 VanDerWaalsContact O-CG2 3.31Å; A23-V27 WeakPolarHBondContact O-CG2 3.27Å; A23-V27 PolarHBondContact O-N 3.34Å
24	R	95.8	Very high	95.2	Very high	155 Å²	155	98.8 Å²	98.8	59%	0.585	51%	0.506	S	S	*	.	H	α-helix	trans	-65.8	-45.9	176.7	-73.6	174.2	-167.9	-145.9	7.3	112.4	D20 Q21 K26 V27 E28	D20-R24 WeakPolarHBondContact O-CB 3.48Å; D20-R24 VanDerWaalsContact O-CG 3.26Å; D20-R24 WeakPolarHBondContact O-CG 3.35Å; D20-R24 PolarHBondContact O-N 3.3Å; D20-R24 IonicContact OD1-NE 3.04Å; D20-R24 IonicContact OD2-CZ 3.46Å; D20-R24 VanDerWaalsContact OD2-CZ 3.31Å; D20-R24 IonicContact OD2-NE 2.83Å; D20-R24 PolarHBondContact OD2-NE 3.11Å; D20-R24 IonicContact OD2-NH2 3.14Å; D20-R24 PolarHBondContact OD2-NH2 2.78Å; Q21-R24 PolarHBondContact O-N 3.13Å; Q21-R24 VanDerWaalsContact O-N 3.16Å; R24-K26 PolarHBondContact O-N 3.25Å; R24-V27 PolarHBondContact O-N 2.96Å; R24-V27 VanDerWaalsContact O-N 3.14Å; R24-E28 WeakPolarHBondContact O-CG 3.46Å; R24-E28 PolarHBondContact O-N 3.45Å
25	E	95.8	Very high	95.5	Very high	107 Å²	107	97.1 Å²	97.1	50%	0.5	50%	0.499	S	S	.	.	H	α-helix	trans	-59.5	-38.4	175.1	-73.1	176.8	-167.4	0	0	110.7	Q21 E28 E29	Q21-E25 PolarHBondContact NE2-OE1 2.94Å; Q21-E25 WeakPolarHBondContact O-CG 3.45Å; Q21-E25 PolarHBondContact O-N 3.42Å; E25-E28 PolarHBondContact O-N 3.41Å; E25-E29 WeakPolarHBondContact O-CB 3.48Å; E25-E29 PolarHBondContact O-N 3.34Å
26	K	96.7	Very high	95.7	Very high	107 Å²	107	98 Å²	98	47%	0.465	50%	0.502	S	S	.	.	H	α-helix	trans	-67.2	-38.9	175.4	-163.1	72.1	-162.2	163.7	0	113.1	E22 A23 R24 E29 I30	E22-K26 WeakPolarHBondContact O-CB 3.47Å; E22-K26 PolarHBondContact O-N 3.14Å; A23-K26 PolarHBondContact O-N 2.79Å; R24-K26 PolarHBondContact O-N 3.25Å; K26-E29 IonicContact NZ-OE1 2.81Å; K26-E29 IonicContact NZ-OE2 3.52Å; K26-E29 PolarHBondContact NZ-OE2 3.04Å; K26-I30 HydrophobicContact CG-CD1 4.27Å; K26-I30 WeakPolarHBondContact O-CD1 3.46Å; K26-I30 VanDerWaalsContact O-CG1 3.25Å; K26-I30 WeakPolarHBondContact O-CG1 3.28Å; K26-I30 PolarHBondContact O-N 3.41Å
27	V	96.1	Very high	95.9	Very high	80 Å²	80	98.8 Å²	98.8	49%	0.485	50%	0.504	S	S	.	.	H	α-helix	trans	-64.1	-48.1	174.6	169.6	0	0	0	0	110.4	A23 R24 E29 I30 D31	A23-V27 VanDerWaalsContact O-CG2 3.31Å; A23-V27 WeakPolarHBondContact O-CG2 3.27Å; A23-V27 PolarHBondContact O-N 3.34Å; R24-V27 PolarHBondContact O-N 2.96Å; R24-V27 VanDerWaalsContact O-N 3.14Å; V27-E29 VanDerWaalsContact C-N 3.31Å; V27-E29 PolarHBondContact O-N 3.49Å; V27-I30 PolarHBondContact O-N 2.96Å; V27-I30 VanDerWaalsContact O-N 3.14Å; V27-D31 PolarHBondContact O-N 3.23Å
28	E	95.6	Very high	96.1	Very high	135 Å²	135	101.3 Å²	101.3	63%	0.631	50%	0.504	S	S	*	.	H	α-helix	trans	-60.4	-39.7	177.5	-72.1	179.6	-175	0	0	112.1	R24 E25 D31 A32	R24-E28 WeakPolarHBondContact O-CG 3.46Å; R24-E28 PolarHBondContact O-N 3.45Å; E25-E28 PolarHBondContact O-N 3.41Å; E28-D31 PolarHBondContact O-N 3.32Å; E28-A32 VanDerWaalsContact O-CB 3.29Å; E28-A32 WeakPolarHBondContact O-CB 3.47Å; E28-A32 PolarHBondContact O-N 3.17Å
29	E	96.1	Very high	96.2	Very high	77 Å²	77	99.2 Å²	99.2	36%	0.36	50%	0.496	S	S	.	.	H	α-helix	trans	-63.4	-42.1	174.7	-167.4	-161.2	158.7	0	0	112.1	E25 K26 V27 K33	E25-E29 WeakPolarHBondContact O-CB 3.48Å; E25-E29 PolarHBondContact O-N 3.34Å; K26-E29 IonicContact NZ-OE1 2.81Å; K26-E29 IonicContact NZ-OE2 3.52Å; K26-E29 PolarHBondContact NZ-OE2 3.04Å; V27-E29 VanDerWaalsContact C-N 3.31Å; V27-E29 PolarHBondContact O-N 3.49Å; E29-K33 HydrophobicContact CG-CD 4.37Å; E29-K33 WeakPolarHBondContact O-CB 3.38Å; E29-K33 WeakPolarHBondContact O-CG 3.41Å; E29-K33 PolarHBondContact O-N 3.34Å; E29-K33 WeakPolarHBondContact OE1-CE 3.39Å; E29-K33 IonicContact OE1-NZ 3.61Å; E29-K33 PolarHBondContact OE1-NZ 3.23Å
30	I	96.7	Very high	96.3	Very high	96 Å²	96	99.1 Å²	99.1	49%	0.492	50%	0.495	S	S	.	.	H	α-helix	trans	-66.3	-45.4	178	-71.3	166.9	0	0	0	110.5	K26 V27 K33 A34	K26-I30 HydrophobicContact CG-CD1 4.27Å; K26-I30 WeakPolarHBondContact O-CD1 3.46Å; K26-I30 VanDerWaalsContact O-CG1 3.25Å; K26-I30 WeakPolarHBondContact O-CG1 3.28Å; K26-I30 PolarHBondContact O-N 3.41Å; V27-I30 PolarHBondContact O-N 2.96Å; V27-I30 VanDerWaalsContact O-N 3.14Å; I30-K33 PolarHBondContact O-N 2.91Å; I30-A34 VanDerWaalsContact O-CB 3.28Å; I30-A34 WeakPolarHBondContact O-CB 3.44Å; I30-A34 PolarHBondContact O-N 2.99Å
31	D	96.5	Very high	96.4	Very high	102 Å²	102	99 Å²	99	55%	0.545	49%	0.492	S	S	.	.	H	α-helix	trans	-64.9	-42.2	-179.8	-73.8	-19.8	0	0	0	111.4	V27 E28 A34 E35	V27-D31 PolarHBondContact O-N 3.23Å; E28-D31 PolarHBondContact O-N 3.32Å; D31-A34 PolarHBondContact O-N 3.11Å; D31-E35 PolarHBondContact O-N 2.87Å
32	A	96.7	Very high	96.5	Very high	64 Å²	64	98.6 Å²	98.6	53%	0.529	49%	0.489	S	S	.	.	H	α-helix	trans	-62.9	-43.3	175.6	0	0	0	0	0	112.1	E28 E35 E36	E28-A32 VanDerWaalsContact O-CB 3.29Å; E28-A32 WeakPolarHBondContact O-CB 3.47Å; E28-A32 PolarHBondContact O-N 3.17Å; A32-E35 PolarHBondContact O-N 3.07Å; A32-E36 PolarHBondContact O-N 2.79Å
33	K	97.2	Very high	96.6	Very high	104 Å²	104	96 Å²	96	45%	0.452	48%	0.483	S	S	.	.	H	α-helix	trans	-65.8	-41	175.6	-78.7	177.2	172.2	173.6	0	112.3	E29 I30 E35 E36 E37	E29-K33 HydrophobicContact CG-CD 4.37Å; E29-K33 WeakPolarHBondContact O-CB 3.38Å; E29-K33 WeakPolarHBondContact O-CG 3.41Å; E29-K33 PolarHBondContact O-N 3.34Å; E29-K33 WeakPolarHBondContact OE1-CE 3.39Å; E29-K33 IonicContact OE1-NZ 3.61Å; E29-K33 PolarHBondContact OE1-NZ 3.23Å; I30-K33 PolarHBondContact O-N 2.91Å; K33-E35 VanDerWaalsContact C-N 3.33Å; K33-E35 PolarHBondContact O-N 2.83Å; K33-E36 PolarHBondContact O-N 2.59Å; K33-E37 WeakPolarHBondContact O-CB 3.44Å; K33-E37 WeakPolarHBondContact O-CG 3.48Å; K33-E37 PolarHBondContact O-N 2.89Å
34	A	97.1	Very high	96.6	Very high	53 Å²	53	99.2 Å²	99.2	44%	0.438	49%	0.485	S	S	.	.	H	α-helix	trans	-62.3	-41	178	0	0	0	0	0	111.6	I30 D31 F38	I30-A34 VanDerWaalsContact O-CB 3.28Å; I30-A34 WeakPolarHBondContact O-CB 3.44Å; I30-A34 PolarHBondContact O-N 2.99Å; D31-A34 PolarHBondContact O-N 3.11Å; A34-F38 WeakPolarHBondContact O-CB 3.4Å; A34-F38 PolarHBondContact O-N 3.39Å
35	E	96.3	Very high	96.7	Very high	101 Å²	101	96.5 Å²	96.5	47%	0.472	48%	0.481	S	S	.	.	H	α-helix	trans	-67.6	-41.7	175.3	-175.4	59	-151.3	0	0	111.9	D31 A32 K33 F38 Q39	D31-E35 PolarHBondContact O-N 2.87Å; A32-E35 PolarHBondContact O-N 3.07Å; K33-E35 VanDerWaalsContact C-N 3.33Å; K33-E35 PolarHBondContact O-N 2.83Å; E35-F38 PolarHBondContact O-N 2.9Å; E35-Q39 WeakPolarHBondContact O-CG 3.29Å; E35-Q39 PolarHBondContact O-N 3.17Å; E35-Q39 PolarHBondContact OE1-NE2 3.45Å
36	E	96.3	Very high	96.8	Very high	127 Å²	127	94.4 Å²	94.4	59%	0.593	48%	0.476	S	S	*	.	H	α-helix	trans	-61.1	-49.9	176	-173.4	178.6	-174.6	0	0	111.5	A32 K33 F38 Q39 I40	A32-E36 PolarHBondContact O-N 2.79Å; K33-E36 PolarHBondContact O-N 2.59Å; E36-F38 VanDerWaalsContact C-N 3.33Å; E36-F38 PolarHBondContact O-N 3.28Å; E36-Q39 PolarHBondContact O-N 3.48Å; E36-I40 HydrophobicContact CG-CD1 3.99Å; E36-I40 WeakPolarHBondContact O-CG1 3.42Å; E36-I40 PolarHBondContact O-N 3.17Å
37	E	96.8	Very high	96.8	Very high	138 Å²	138	95.1 Å²	95.1	65%	0.645	48%	0.481	S	S	*	.	H	α-helix	trans	-61.3	-41.3	176.9	-73.9	-174.8	179.2	0	0	111.8	K33 Q39 I40 E41	K33-E37 WeakPolarHBondContact O-CB 3.44Å; K33-E37 WeakPolarHBondContact O-CG 3.48Å; K33-E37 PolarHBondContact O-N 2.89Å; E37-Q39 PolarHBondContact O-N 2.93Å; E37-I40 PolarHBondContact O-N 2.95Å; E37-E41 VanDerWaalsContact O-CB 3.29Å; E37-E41 WeakPolarHBondContact O-CB 3.35Å; E37-E41 PolarHBondContact O-N 3.4Å
38	F	97.2	Very high	96.8	Very high	111 Å²	111	94.8 Å²	94.8	49%	0.487	48%	0.476	S	S	.	.	H	α-helix	trans	-58.9	-46.7	175.1	170.5	-104.7	0	0	0	111.8	A34 E35 E36 E41 K42	A34-F38 WeakPolarHBondContact O-CB 3.4Å; A34-F38 PolarHBondContact O-N 3.39Å; E35-F38 PolarHBondContact O-N 2.9Å; E36-F38 VanDerWaalsContact C-N 3.33Å; E36-F38 PolarHBondContact O-N 3.28Å; F38-E41 PolarHBondContact O-N 2.89Å; F38-K42 HydrophobicContact CE1-CD 4.13Å; F38-K42 HydrophobicContact CZ-CD 4.07Å; F38-K42 WeakPolarHBondContact O-CB 3.3Å; F38-K42 PolarHBondContact O-N 3.19Å
39	Q	96.9	Very high	96.9	Very high	74 Å²	74	93.1 Å²	93.1	35%	0.346	47%	0.469	S	S	.	.	H	α-helix	trans	-67.7	-38.4	-179.9	-67.3	-60.8	-22	0	0	112.4	E35 E36 E37 S43	E35-Q39 WeakPolarHBondContact O-CG 3.29Å; E35-Q39 PolarHBondContact O-N 3.17Å; E35-Q39 PolarHBondContact OE1-NE2 3.45Å; E36-Q39 PolarHBondContact O-N 3.48Å; E37-Q39 PolarHBondContact O-N 2.93Å; Q39-S43 VanDerWaalsContact O-CB 3.22Å; Q39-S43 WeakPolarHBondContact O-CB 3.32Å; Q39-S43 PolarHBondContact O-N 2.84Å; Q39-S43 PolarHBondContact O-OG 3.41Å
40	I	96.7	Very high	96.9	Very high	101 Å²	101	97.2 Å²	97.2	52%	0.518	48%	0.481	S	S	.	.	H	α-helix	trans	-62.9	-50.4	174.9	-68.8	168.8	0	0	0	110.2	E36 E37 S43 R44	E36-I40 HydrophobicContact CG-CD1 3.99Å; E36-I40 WeakPolarHBondContact O-CG1 3.42Å; E36-I40 PolarHBondContact O-N 3.17Å; E37-I40 PolarHBondContact O-N 2.95Å; I40-S43 PolarHBondContact O-N 3.35Å; I40-R44 WeakPolarHBondContact O-CB 3.28Å; I40-R44 PolarHBondContact O-N 3.04Å
41	E	96.3	Very high	97	Very high	76 Å²	76	97.9 Å²	97.9	36%	0.355	49%	0.485	S	S	.	.	H	α-helix	trans	-68.7	-42	-175.5	-175.8	56.7	-159.7	0	0	111.8	E37 F38 S43 R44 L45	E37-E41 VanDerWaalsContact O-CB 3.29Å; E37-E41 WeakPolarHBondContact O-CB 3.35Å; E37-E41 PolarHBondContact O-N 3.4Å; F38-E41 PolarHBondContact O-N 2.89Å; E41-S43 VanDerWaalsContact C-N 3.33Å; E41-S43 PolarHBondContact O-N 3.45Å; E41-R44 WeakPolarHBondContact O-CB 3.45Å; E41-R44 PolarHBondContact O-N 2.8Å; E41-R44 IonicContact OE1-CZ 2.72Å; E41-R44 IonicContact OE1-NE 2.67Å; E41-R44 PolarHBondContact OE1-NE 3.01Å; E41-R44 IonicContact OE1-NH2 3.7Å; E41-R44 PolarHBondContact OE1-NH2 3.31Å; E41-R44 IonicContact OE2-CZ 3.89Å; E41-R44 IonicContact OE2-NE 2.83Å; E41-R44 PolarHBondContact OE2-NE 3.34Å; E41-R44 IonicContact OE2-NH2 3.31Å; E41-L45 HydrophobicContact CG-CD1 4.37Å; E41-L45 WeakPolarHBondContact O-CG 3.4Å; E41-L45 PolarHBondContact O-N 3.48Å
42	K	97.7	Very high	97	Very high	102 Å²	102	99.6 Å²	99.6	44%	0.443	49%	0.487	S	S	.	.	H	α-helix	trans	-56.7	-47.5	170.9	177.9	-174.5	173.1	-172.1	0	111.2	F38 R44 L45 V46	F38-K42 HydrophobicContact CE1-CD 4.13Å; F38-K42 HydrophobicContact CZ-CD 4.07Å; F38-K42 WeakPolarHBondContact O-CB 3.3Å; F38-K42 PolarHBondContact O-N 3.19Å; K42-R44 VanDerWaalsContact C-N 3.35Å; K42-R44 PolarHBondContact O-N 3.46Å; K42-L45 PolarHBondContact O-N 2.91Å; K42-V46 WeakPolarHBondContact O-CB 3.2Å; K42-V46 VanDerWaalsContact O-CG2 3.26Å; K42-V46 WeakPolarHBondContact O-CG2 3.25Å; K42-V46 PolarHBondContact O-N 2.99Å
43	S	97.1	Very high	97.1	Very high	58 Å²	58	100.3 Å²	100.3	41%	0.406	48%	0.481	S	S	.	.	H	α-helix	trans	-62.5	-42.8	179.3	-65	0	0	0	0	111.5	Q39 I40 E41 V46 Q47	Q39-S43 VanDerWaalsContact O-CB 3.22Å; Q39-S43 WeakPolarHBondContact O-CB 3.32Å; Q39-S43 PolarHBondContact O-N 2.84Å; Q39-S43 PolarHBondContact O-OG 3.41Å; I40-S43 PolarHBondContact O-N 3.35Å; E41-S43 VanDerWaalsContact C-N 3.33Å; E41-S43 PolarHBondContact O-N 3.45Å; S43-V46 PolarHBondContact O-N 3.32Å; S43-Q47 WeakPolarHBondContact O-CB 3.36Å; S43-Q47 VanDerWaalsContact O-CG 3.26Å; S43-Q47 WeakPolarHBondContact O-CG 3.38Å; S43-Q47 PolarHBondContact O-N 2.99Å
44	R	97.3	Very high	97.1	Very high	116 Å²	116	101.4 Å²	101.4	44%	0.438	49%	0.49	S	S	.	.	H	α-helix	trans	-60.5	-48.1	176.1	-168.6	-172.5	75.1	86.1	1.4	112	I40 E41 K42 Q47 N48	I40-R44 WeakPolarHBondContact O-CB 3.28Å; I40-R44 PolarHBondContact O-N 3.04Å; E41-R44 WeakPolarHBondContact O-CB 3.45Å; E41-R44 PolarHBondContact O-N 2.8Å; E41-R44 IonicContact OE1-CZ 2.72Å; E41-R44 IonicContact OE1-NE 2.67Å; E41-R44 PolarHBondContact OE1-NE 3.01Å; E41-R44 IonicContact OE1-NH2 3.7Å; E41-R44 PolarHBondContact OE1-NH2 3.31Å; E41-R44 IonicContact OE2-CZ 3.89Å; E41-R44 IonicContact OE2-NE 2.83Å; E41-R44 PolarHBondContact OE2-NE 3.34Å; E41-R44 IonicContact OE2-NH2 3.31Å; K42-R44 VanDerWaalsContact C-N 3.35Å; K42-R44 PolarHBondContact O-N 3.46Å; R44-Q47 PolarHBondContact O-N 3.47Å; R44-N48 WeakPolarHBondContact O-CB 3.48Å; R44-N48 VanDerWaalsContact O-CG 3.28Å; R44-N48 PolarHBondContact O-N 3.37Å; R44-N48 PolarHBondContact O-ND2 3.03Å
45	L	97.4	Very high	97.1	Very high	97 Å²	97	104 Å²	104	51%	0.508	49%	0.493	S	S	.	.	H	α-helix	trans	-62.9	-44.8	178.1	-71.4	174.1	0	0	0	111.9	E41 K42 N48 Q49	E41-L45 HydrophobicContact CG-CD1 4.37Å; E41-L45 WeakPolarHBondContact O-CG 3.4Å; E41-L45 PolarHBondContact O-N 3.48Å; K42-L45 PolarHBondContact O-N 2.91Å; L45-N48 PolarHBondContact O-N 3.33Å; L45-Q49 WeakPolarHBondContact O-CB 3.4Å; L45-Q49 PolarHBondContact O-N 3.38Å
46	V	97.7	Very high	97.1	Very high	64 Å²	64	106 Å²	106	39%	0.388	50%	0.497	S	S	.	.	H	α-helix	trans	-63.7	-44.2	177.5	170.9	0	0	0	0	111.1	K42 S43 Q49 R50	K42-V46 WeakPolarHBondContact O-CB 3.2Å; K42-V46 VanDerWaalsContact O-CG2 3.26Å; K42-V46 WeakPolarHBondContact O-CG2 3.25Å; K42-V46 PolarHBondContact O-N 2.99Å; S43-V46 PolarHBondContact O-N 3.32Å; V46-Q49 PolarHBondContact O-N 2.92Å; V46-R50 HydrophobicContact CG1-CG 4.33Å; V46-R50 WeakPolarHBondContact O-CB 3.33Å; V46-R50 VanDerWaalsContact O-CG 3.27Å; V46-R50 WeakPolarHBondContact O-CG 3.33Å; V46-R50 PolarHBondContact O-N 3.38Å
47	Q	97	Very high	97.2	Very high	122 Å²	122	106.6 Å²	106.6	57%	0.57	50%	0.495	S	S	*	.	H	α-helix	trans	-62.5	-47.1	177.6	-76.5	179.2	-4.5	0	0	111.8	S43 R44 Q49 R50 L51	S43-Q47 WeakPolarHBondContact O-CB 3.36Å; S43-Q47 VanDerWaalsContact O-CG 3.26Å; S43-Q47 WeakPolarHBondContact O-CG 3.38Å; S43-Q47 PolarHBondContact O-N 2.99Å; R44-Q47 PolarHBondContact O-N 3.47Å; Q47-Q49 VanDerWaalsContact C-N 3.3Å; Q47-Q49 PolarHBondContact O-N 3.12Å; Q47-R50 WeakPolarHBondContact O-CB 3.37Å; Q47-R50 PolarHBondContact O-N 2.7Å; Q47-L51 WeakPolarHBondContact O-CG 3.49Å; Q47-L51 PolarHBondContact O-N 3.08Å
48	N	96.9	Very high	97.2	Very high	72 Å²	72	102.3 Å²	102.3	39%	0.385	48%	0.48	S	S	.	.	H	α-helix	trans	-58.5	-42.1	176.8	-76.1	-26.5	0	0	0	112.1	R44 L45 K52	R44-N48 WeakPolarHBondContact O-CB 3.48Å; R44-N48 VanDerWaalsContact O-CG 3.28Å; R44-N48 PolarHBondContact O-N 3.37Å; R44-N48 PolarHBondContact O-ND2 3.03Å; L45-N48 PolarHBondContact O-N 3.33Å; N48-K52 PolarHBondContact O-N 2.77Å
49	Q	96.8	Very high	97.2	Very high	101 Å²	101	103 Å²	103	47%	0.472	48%	0.483	S	S	.	.	H	α-helix	trans	-72.1	-36.4	178.2	-169.8	60.5	13.1	0	0	112.3	L45 V46 Q47 L51 K52 I53	L45-Q49 WeakPolarHBondContact O-CB 3.4Å; L45-Q49 PolarHBondContact O-N 3.38Å; V46-Q49 PolarHBondContact O-N 2.92Å; Q47-Q49 VanDerWaalsContact C-N 3.3Å; Q47-Q49 PolarHBondContact O-N 3.12Å; Q49-L51 VanDerWaalsContact C-N 3.34Å; Q49-L51 PolarHBondContact O-N 3.26Å; Q49-K52 PolarHBondContact O-N 3.19Å; Q49-I53 HydrophobicContact CG-CD1 4.14Å; Q49-I53 VanDerWaalsContact O-CG1 3.32Å; Q49-I53 WeakPolarHBondContact O-CG1 3.25Å; Q49-I53 PolarHBondContact O-N 2.84Å
50	R	97.5	Very high	97.3	Very high	163 Å²	163	104 Å²	104	62%	0.615	49%	0.486	S	S	*	.	H	α-helix	trans	-58.8	-43.8	173.3	-79.6	176.6	176.3	-171.8	0.2	111.7	V46 Q47 K52 I53 M54	V46-R50 HydrophobicContact CG1-CG 4.33Å; V46-R50 WeakPolarHBondContact O-CB 3.33Å; V46-R50 VanDerWaalsContact O-CG 3.27Å; V46-R50 WeakPolarHBondContact O-CG 3.33Å; V46-R50 PolarHBondContact O-N 3.38Å; Q47-R50 WeakPolarHBondContact O-CB 3.37Å; Q47-R50 PolarHBondContact O-N 2.7Å; R50-K52 PolarHBondContact O-N 2.88Å; R50-I53 PolarHBondContact O-N 3.36Å; R50-M54 VanDerWaalsContact O-CG 3.31Å; R50-M54 WeakPolarHBondContact O-CG 3.38Å; R50-M54 PolarHBondContact O-N 2.92Å
51	L	97.1	Very high	97.3	Very high	110 Å²	110	105.7 Å²	105.7	58%	0.576	49%	0.492	S	S	*	.	H	α-helix	trans	-59.7	-44.8	177	-70.3	173.4	0	0	0	112	Q47 Q49 I53 M54 E55	Q47-L51 WeakPolarHBondContact O-CG 3.49Å; Q47-L51 PolarHBondContact O-N 3.08Å; Q49-L51 VanDerWaalsContact C-N 3.34Å; Q49-L51 PolarHBondContact O-N 3.26Å; L51-I53 VanDerWaalsContact C-N 3.34Å; L51-I53 PolarHBondContact O-N 3.37Å; L51-M54 PolarHBondContact O-N 3.48Å; L51-E55 PolarHBondContact O-N 2.98Å
52	K	97.3	Very high	97.4	Very high	137 Å²	137	108.6 Å²	108.6	60%	0.596	50%	0.503	S	S	*	.	H	α-helix	trans	-61.2	-42.1	175.7	-69.1	178.8	-178.7	177.4	0	112.3	N48 Q49 R50 E55 Y56	N48-K52 PolarHBondContact O-N 2.77Å; Q49-K52 PolarHBondContact O-N 3.19Å; R50-K52 PolarHBondContact O-N 2.88Å; K52-E55 PolarHBondContact O-N 2.85Å; K52-Y56 PolarHBondContact O-N 3.42Å
53	I	97.7	Very high	97.4	Very high	79 Å²	79	110 Å²	110	41%	0.405	51%	0.511	S	S	.	.	H	α-helix	trans	-64.1	-45.6	177.1	-69.7	169.8	0	0	0	110.4	Q49 R50 L51 E55 Y56 Y57	Q49-I53 HydrophobicContact CG-CD1 4.14Å; Q49-I53 VanDerWaalsContact O-CG1 3.32Å; Q49-I53 WeakPolarHBondContact O-CG1 3.25Å; Q49-I53 PolarHBondContact O-N 2.84Å; R50-I53 PolarHBondContact O-N 3.36Å; L51-I53 VanDerWaalsContact C-N 3.34Å; L51-I53 PolarHBondContact O-N 3.37Å; I53-E55 VanDerWaalsContact C-N 3.35Å; I53-E55 PolarHBondContact O-N 2.97Å; I53-Y56 PolarHBondContact O-N 3.35Å; I53-Y57 HydrophobicContact CG2-CD2 3.6Å; I53-Y57 HydrophobicContact CG2-CE2 3.71Å; I53-Y57 VanDerWaalsContact O-CD2 3.31Å; I53-Y57 WeakPolarHBondContact O-CD2 3.49Å; I53-Y57 PolarHBondContact O-N 2.67Å
54	M	97.2	Very high	97.4	Very high	127 Å²	127	111.2 Å²	111.2	63%	0.626	51%	0.512	S	S	*	.	H	α-helix	trans	-60	-43.6	177.4	-72.8	176.3	67.2	0	0	111.9	R50 L51 Y57 S58	R50-M54 VanDerWaalsContact O-CG 3.31Å; R50-M54 WeakPolarHBondContact O-CG 3.38Å; R50-M54 PolarHBondContact O-N 2.92Å; L51-M54 PolarHBondContact O-N 3.48Å; M54-Y57 PolarHBondContact O-N 3.26Å; M54-S58 VanDerWaalsContact O-CB 3.31Å; M54-S58 WeakPolarHBondContact O-CB 3.17Å; M54-S58 PolarHBondContact O-N 2.98Å
55	E	97.2	Very high	97.4	Very high	109 Å²	109	110.3 Å²	110.3	51%	0.509	51%	0.513	S	S	.	.	H	α-helix	trans	-63	-43.4	176.8	-166.6	-169.1	159	0	0	111.8	L51 K52 I53 S58 K59	L51-E55 PolarHBondContact O-N 2.98Å; K52-E55 PolarHBondContact O-N 2.85Å; I53-E55 VanDerWaalsContact C-N 3.35Å; I53-E55 PolarHBondContact O-N 2.97Å; E55-S58 PolarHBondContact O-N 3.5Å; E55-K59 WeakPolarHBondContact O-CG 3.17Å; E55-K59 PolarHBondContact O-N 3.46Å; E55-K59 WeakPolarHBondContact OE1-CE 3.48Å; E55-K59 IonicContact OE1-NZ 3.38Å; E55-K59 PolarHBondContact OE1-NZ 3.43Å
56	Y	97.6	Very high	97.4	Very high	142 Å²	142	110.6 Å²	110.6	56%	0.557	52%	0.515	S	S	*	.	H	α-helix	trans	-60.5	-48.3	176.8	175.9	-95.8	0	0	0	112	K52 I53 K59 K60	K52-Y56 PolarHBondContact O-N 3.42Å; I53-Y56 PolarHBondContact O-N 3.35Å; Y56-K59 PolarHBondContact O-N 2.79Å; Y56-K60 HydrophobicContact CE1-CD 4.28Å; Y56-K60 PolarHBondContact O-N 3.27Å
57	Y	98	Very high	97.4	Very high	140 Å²	140	110.5 Å²	110.5	55%	0.549	51%	0.514	S	S	.	.	H	α-helix	trans	-67.6	-36.2	178.6	-83.3	-75.2	0	0	0	112.3	I53 M54 K59 K60 E61	I53-Y57 HydrophobicContact CG2-CD2 3.6Å; I53-Y57 HydrophobicContact CG2-CE2 3.71Å; I53-Y57 VanDerWaalsContact O-CD2 3.31Å; I53-Y57 WeakPolarHBondContact O-CD2 3.49Å; I53-Y57 PolarHBondContact O-N 2.67Å; M54-Y57 PolarHBondContact O-N 3.26Å; Y57-K59 PolarHBondContact O-N 3.09Å; Y57-K60 PolarHBondContact O-N 3.23Å; Y57-E61 WeakPolarHBondContact O-CB 3.09Å; Y57-E61 PolarHBondContact O-N 2.94Å
58	S	97.4	Very high	97.4	Very high	47 Å²	47	110.6 Å²	110.6	33%	0.329	51%	0.513	S	S	.	.	H	α-helix	trans	-61.5	-42.4	173.9	-175.8	0	0	0	0	112.1	M54 E55 K62	M54-S58 VanDerWaalsContact O-CB 3.31Å; M54-S58 WeakPolarHBondContact O-CB 3.17Å; M54-S58 PolarHBondContact O-N 2.98Å; E55-S58 PolarHBondContact O-N 3.5Å; S58-K62 WeakPolarHBondContact O-CG 3.3Å; S58-K62 PolarHBondContact O-N 3.1Å; S58-K62 VanDerWaalsContact O-N 3.09Å
59	K	97.6	Very high	97.5	Very high	126 Å²	126	113 Å²	113	55%	0.548	52%	0.52	S	S	.	.	H	α-helix	trans	-63.8	-44.1	174.5	-72.6	176.3	-174.5	168.1	0	111.8	E55 Y56 Y57 K62 Q63	E55-K59 WeakPolarHBondContact O-CG 3.17Å; E55-K59 PolarHBondContact O-N 3.46Å; E55-K59 WeakPolarHBondContact OE1-CE 3.48Å; E55-K59 IonicContact OE1-NZ 3.38Å; E55-K59 PolarHBondContact OE1-NZ 3.43Å; Y56-K59 PolarHBondContact O-N 2.79Å; Y57-K59 PolarHBondContact O-N 3.09Å; K59-K62 PolarHBondContact O-N 3.22Å; K59-Q63 WeakPolarHBondContact O-CB 3.24Å; K59-Q63 PolarHBondContact O-N 3.02Å
60	K	97.9	Very high	97.5	Very high	95 Å²	95	112.3 Å²	112.3	41%	0.413	52%	0.518	S	S	.	.	H	α-helix	trans	-63.7	-41.9	179.3	-169.1	173.4	-177.4	177.2	0	112	Y56 Y57 Q63 I64	Y56-K60 HydrophobicContact CE1-CD 4.28Å; Y56-K60 PolarHBondContact O-N 3.27Å; Y57-K60 PolarHBondContact O-N 3.23Å; K60-Q63 PolarHBondContact O-N 3.38Å; K60-I64 HydrophobicContact CG-CD1 4.21Å; K60-I64 VanDerWaalsContact O-CG1 3.32Å; K60-I64 WeakPolarHBondContact O-CG1 3.31Å; K60-I64 PolarHBondContact O-N 2.8Å
61	E	97.5	Very high	97.5	Very high	136 Å²	136	110.3 Å²	110.3	64%	0.636	52%	0.516	S	S	*	.	H	α-helix	trans	-61.3	-49.7	175.7	-174.4	175.7	-163.6	0	0	111.4	Y57 Q63 I64 E65	Y57-E61 WeakPolarHBondContact O-CB 3.09Å; Y57-E61 PolarHBondContact O-N 2.94Å; E61-Q63 VanDerWaalsContact C-N 3.29Å; E61-Q63 PolarHBondContact O-N 3.46Å; E61-I64 PolarHBondContact O-N 2.98Å; E61-E65 PolarHBondContact O-N 3.45Å
62	K	97.4	Very high	97.5	Very high	138 Å²	138	109.5 Å²	109.5	60%	0.6	51%	0.512	S	S	*	.	H	α-helix	trans	-57.5	-40.7	175.4	-72.4	176.9	-176.2	-179	0	112.4	S58 K59 E65 L66	S58-K62 WeakPolarHBondContact O-CG 3.3Å; S58-K62 PolarHBondContact O-N 3.1Å; S58-K62 VanDerWaalsContact O-N 3.09Å; K59-K62 PolarHBondContact O-N 3.22Å; K62-E65 PolarHBondContact O-N 2.81Å; K62-L66 WeakPolarHBondContact O-CB 3.5Å; K62-L66 PolarHBondContact O-N 3.09Å
63	Q	97.3	Very high	97.6	Very high	130 Å²	130	106.6 Å²	106.6	61%	0.607	51%	0.509	S	S	*	.	H	α-helix	trans	-65.9	-41.8	178.2	-173.1	177.9	10.8	0	0	112.2	K59 K60 E61 T67	K59-Q63 WeakPolarHBondContact O-CB 3.24Å; K59-Q63 PolarHBondContact O-N 3.02Å; K60-Q63 PolarHBondContact O-N 3.38Å; E61-Q63 VanDerWaalsContact C-N 3.29Å; E61-Q63 PolarHBondContact O-N 3.46Å; Q63-T67 WeakPolarHBondContact O-CB 3.36Å; Q63-T67 PolarHBondContact O-N 2.91Å; Q63-T67 PolarHBondContact O-OG1 3.39Å
64	I	97.7	Very high	97.6	Very high	85 Å²	85	106.8 Å²	106.8	44%	0.436	51%	0.511	S	S	.	.	H	α-helix	trans	-64.4	-44.3	176.2	-69.7	167.1	0	0	0	110.2	K60 E61 T67 K68	K60-I64 HydrophobicContact CG-CD1 4.21Å; K60-I64 VanDerWaalsContact O-CG1 3.32Å; K60-I64 WeakPolarHBondContact O-CG1 3.31Å; K60-I64 PolarHBondContact O-N 2.8Å; E61-I64 PolarHBondContact O-N 2.98Å; I64-T67 PolarHBondContact O-N 2.94Å; I64-K68 HydrophobicContact CG2-CD 4.32Å; I64-K68 WeakPolarHBondContact O-CG 3.43Å; I64-K68 PolarHBondContact O-N 3.36Å
65	E	97.4	Very high	97.6	Very high	97 Å²	97	105.8 Å²	105.8	45%	0.453	51%	0.507	S	S	.	.	H	α-helix	trans	-61.2	-45.6	178.1	-164.4	-163.1	151.2	0	0	111.9	E61 K62 T67 K68 K69	E61-E65 PolarHBondContact O-N 3.45Å; K62-E65 PolarHBondContact O-N 2.81Å; E65-T67 PolarHBondContact O-N 3.13Å; E65-K68 PolarHBondContact O-N 3.16Å; E65-K69 WeakPolarHBondContact O-CG 3.36Å; E65-K69 PolarHBondContact O-N 3.41Å; E65-K69 WeakPolarHBondContact OE1-CE 3.28Å; E65-K69 IonicContact OE1-NZ 2.85Å; E65-K69 PolarHBondContact OE1-NZ 3.03Å
66	L	97.3	Very high	97.6	Very high	103 Å²	103	108.1 Å²	108.1	54%	0.539	52%	0.516	S	S	.	.	H	α-helix	trans	-61.4	-43.9	175.6	-179.2	63.9	0	0	0	111.7	K62 K68 K69 I70	K62-L66 WeakPolarHBondContact O-CB 3.5Å; K62-L66 PolarHBondContact O-N 3.09Å; L66-K68 PolarHBondContact O-N 3.13Å; L66-K69 PolarHBondContact O-N 3.26Å; L66-I70 HydrophobicContact CD1-CD1 4.3Å; L66-I70 HydrophobicContact CG-CD1 3.99Å; L66-I70 WeakPolarHBondContact O-CG1 3.44Å; L66-I70 PolarHBondContact O-N 3.42Å
67	T	97.4	Very high	97.6	Very high	61 Å²	61	104.3 Å²	104.3	37%	0.374	51%	0.505	S	S	.	.	H	α-helix	trans	-62.3	-43.6	179	-56.9	0	0	0	0	111.1	Q63 I64 E65 I70 Q71	Q63-T67 WeakPolarHBondContact O-CB 3.36Å; Q63-T67 PolarHBondContact O-N 2.91Å; Q63-T67 PolarHBondContact O-OG1 3.39Å; I64-T67 PolarHBondContact O-N 2.94Å; E65-T67 PolarHBondContact O-N 3.13Å; T67-I70 PolarHBondContact O-N 3.12Å; T67-Q71 WeakPolarHBondContact O-CG 3.34Å; T67-Q71 PolarHBondContact O-N 3.37Å
68	K	97.8	Very high	97.6	Very high	125 Å²	125	102.9 Å²	102.9	54%	0.543	50%	0.504	S	S	.	.	H	α-helix	trans	-58.8	-47.5	174.1	-74.4	178.6	177.4	-177.4	0	111.5	I64 E65 L66 I70 Q71 D72	I64-K68 HydrophobicContact CG2-CD 4.32Å; I64-K68 WeakPolarHBondContact O-CG 3.43Å; I64-K68 PolarHBondContact O-N 3.36Å; E65-K68 PolarHBondContact O-N 3.16Å; L66-K68 PolarHBondContact O-N 3.13Å; K68-I70 VanDerWaalsContact C-N 3.32Å; K68-I70 PolarHBondContact O-N 3.17Å; K68-Q71 PolarHBondContact O-N 2.88Å; K68-D72 PolarHBondContact O-N 2.72Å
69	K	97.7	Very high	97.6	Very high	123 Å²	123	103.6 Å²	103.6	54%	0.535	51%	0.508	S	S	.	.	H	α-helix	trans	-58.2	-41.6	177	-76.4	171.6	170.4	167.3	0	112.6	E65 L66 S73	E65-K69 WeakPolarHBondContact O-CG 3.36Å; E65-K69 PolarHBondContact O-N 3.41Å; E65-K69 WeakPolarHBondContact OE1-CE 3.28Å; E65-K69 IonicContact OE1-NZ 2.85Å; E65-K69 PolarHBondContact OE1-NZ 3.03Å; L66-K69 PolarHBondContact O-N 3.26Å; K69-S73 WeakPolarHBondContact O-CB 3.34Å; K69-S73 PolarHBondContact O-N 3.13Å
70	I	97.6	Very high	97.6	Very high	85 Å²	85	104.2 Å²	104.2	44%	0.436	51%	0.507	S	S	.	.	H	α-helix	trans	-65.8	-45.4	176.3	-69	164.3	0	0	0	110.9	L66 T67 K68 S73 N74	L66-I70 HydrophobicContact CD1-CD1 4.3Å; L66-I70 HydrophobicContact CG-CD1 3.99Å; L66-I70 WeakPolarHBondContact O-CG1 3.44Å; L66-I70 PolarHBondContact O-N 3.42Å; T67-I70 PolarHBondContact O-N 3.12Å; K68-I70 VanDerWaalsContact C-N 3.32Å; K68-I70 PolarHBondContact O-N 3.17Å; I70-S73 PolarHBondContact O-N 3.16Å; I70-N74 WeakPolarHBondContact O-CB 3.44Å; I70-N74 VanDerWaalsContact O-CG 3.28Å; I70-N74 PolarHBondContact O-N 3.21Å; I70-N74 PolarHBondContact O-ND2 3.02Å
71	Q	97.8	Very high	97.6	Very high	121 Å²	121	103.3 Å²	103.3	57%	0.565	51%	0.507	S	S	*	.	H	α-helix	trans	-60	-46.9	177.7	-74.2	175.8	-14.1	0	0	111.7	T67 K68 S73 N74 L75	T67-Q71 WeakPolarHBondContact O-CG 3.34Å; T67-Q71 PolarHBondContact O-N 3.37Å; K68-Q71 PolarHBondContact O-N 2.88Å; Q71-S73 VanDerWaalsContact C-N 3.34Å; Q71-S73 PolarHBondContact O-N 3.48Å; Q71-N74 PolarHBondContact O-N 2.89Å; Q71-L75 WeakPolarHBondContact O-CB 3.43Å; Q71-L75 PolarHBondContact O-N 2.99Å
72	D	97.7	Very high	97.6	Very high	94 Å²	94	103.6 Å²	103.6	50%	0.503	51%	0.506	S	S	.	.	H	α-helix	trans	-60.7	-43.3	176.9	-71.4	-20.4	0	0	0	111.8	K68 L75 K76	K68-D72 PolarHBondContact O-N 2.72Å; D72-L75 PolarHBondContact O-N 3.45Å; D72-K76 WeakPolarHBondContact O-CG 3.49Å; D72-K76 PolarHBondContact O-N 3.04Å
73	S	97.7	Very high	97.6	Very high	75 Å²	75	100.7 Å²	100.7	52%	0.524	50%	0.499	S	S	.	.	H	α-helix	trans	-62.2	-46	176.6	-173.9	0	0	0	0	111.7	K69 I70 Q71 L75 K76 N77	K69-S73 WeakPolarHBondContact O-CB 3.34Å; K69-S73 PolarHBondContact O-N 3.13Å; I70-S73 PolarHBondContact O-N 3.16Å; Q71-S73 VanDerWaalsContact C-N 3.34Å; Q71-S73 PolarHBondContact O-N 3.48Å; S73-L75 PolarHBondContact O-N 3.14Å; S73-K76 PolarHBondContact O-N 3.25Å; S73-N77 WeakPolarHBondContact O-CB 3.38Å; S73-N77 PolarHBondContact O-N 3.34Å
74	N	98	Very high	97.5	Very high	84 Å²	84	98.3 Å²	98.3	45%	0.449	49%	0.491	S	S	.	.	H	α-helix	trans	-62	-43.4	178	-75.7	-20.6	0	0	0	111.6	I70 Q71 N77 Q78	I70-N74 WeakPolarHBondContact O-CB 3.44Å; I70-N74 VanDerWaalsContact O-CG 3.28Å; I70-N74 PolarHBondContact O-N 3.21Å; I70-N74 PolarHBondContact O-ND2 3.02Å; Q71-N74 PolarHBondContact O-N 2.89Å; N74-N77 PolarHBondContact O-N 3.35Å; N74-Q78 WeakPolarHBondContact O-CG 3.5Å; N74-Q78 PolarHBondContact O-N 2.96Å
75	L	97.3	Very high	97.5	Very high	105 Å²	105	99.6 Å²	99.6	55%	0.55	50%	0.495	S	S	.	.	H	α-helix	trans	-63.5	-44.1	177.9	-175.4	63.4	0	0	0	111.6	Q71 D72 S73 N77 Q78 S79	Q71-L75 WeakPolarHBondContact O-CB 3.43Å; Q71-L75 PolarHBondContact O-N 2.99Å; D72-L75 PolarHBondContact O-N 3.45Å; S73-L75 PolarHBondContact O-N 3.14Å; L75-N77 VanDerWaalsContact C-N 3.34Å; L75-N77 PolarHBondContact O-N 2.83Å; L75-Q78 PolarHBondContact O-N 2.93Å; L75-S79 WeakPolarHBondContact O-CB 3.45Å; L75-S79 PolarHBondContact O-N 3.49Å; L75-S79 PolarHBondContact O-OG 3.08Å; L75-S79 VanDerWaalsContact O-OG 3.12Å
76	K	97.8	Very high	97.5	Very high	158 Å²	158	97.6 Å²	97.6	69%	0.687	49%	0.491	S	S	*	.	H	α-helix	trans	-60.5	-43.4	174.7	-74.2	175.9	-176.6	178	0	111.7	D72 S73 S79 R80	D72-K76 WeakPolarHBondContact O-CG 3.49Å; D72-K76 PolarHBondContact O-N 3.04Å; S73-K76 PolarHBondContact O-N 3.25Å; K76-S79 PolarHBondContact O-N 3.33Å; K76-R80 WeakPolarHBondContact O-CB 3.09Å; K76-R80 PolarHBondContact O-N 3.1Å
77	N	97.6	Very high	97.4	Very high	63 Å²	63	98.1 Å²	98.1	34%	0.337	49%	0.486	S	S	.	.	H	α-helix	trans	-66.1	-42.4	178.4	-173.9	52.1	0	0	0	112.3	S73 N74 L75 R80 L81	S73-N77 WeakPolarHBondContact O-CB 3.38Å; S73-N77 PolarHBondContact O-N 3.34Å; N74-N77 PolarHBondContact O-N 3.35Å; L75-N77 VanDerWaalsContact C-N 3.34Å; L75-N77 PolarHBondContact O-N 2.83Å; N77-R80 WeakPolarHBondContact O-CB 3.46Å; N77-R80 PolarHBondContact O-N 3.1Å; N77-R80 PolarHBondContact OD1-NE 3.29Å; N77-R80 PolarHBondContact OD1-NH2 3.22Å; N77-L81 WeakPolarHBondContact O-CG 3.43Å; N77-L81 PolarHBondContact O-N 2.97Å
78	Q	97.8	Very high	97.2	Very high	110 Å²	110	100.8 Å²	100.8	51%	0.514	49%	0.494	S	S	.	.	H	α-helix	trans	-61	-45.3	175	-74.7	178	7.3	0	0	111.8	N74 L75 R80 L81 K82	N74-Q78 WeakPolarHBondContact O-CG 3.5Å; N74-Q78 PolarHBondContact O-N 2.96Å; L75-Q78 PolarHBondContact O-N 2.93Å; Q78-R80 VanDerWaalsContact C-N 3.31Å; Q78-R80 PolarHBondContact O-N 2.91Å; Q78-L81 PolarHBondContact O-N 3.44Å; Q78-K82 WeakPolarHBondContact O-CG 3.25Å; Q78-K82 PolarHBondContact O-N 3.03Å
79	S	97.7	Very high	97.1	Very high	61 Å²	61	98.8 Å²	98.8	43%	0.427	49%	0.49	S	S	.	.	H	α-helix	trans	-59.5	-42.4	175.1	-65.5	0	0	0	0	111.7	L75 K76 K82 V83	L75-S79 WeakPolarHBondContact O-CB 3.45Å; L75-S79 PolarHBondContact O-N 3.49Å; L75-S79 PolarHBondContact O-OG 3.08Å; L75-S79 VanDerWaalsContact O-OG 3.12Å; K76-S79 PolarHBondContact O-N 3.33Å; S79-K82 PolarHBondContact O-N 2.69Å; S79-V83 WeakPolarHBondContact O-CG2 3.41Å; S79-V83 PolarHBondContact O-N 3.47Å; S79-V83 VanDerWaalsContact O-N 3.16Å
80	R	97.7	Very high	97	Very high	139 Å²	139	98 Å²	98	53%	0.525	49%	0.488	S	S	.	.	H	α-helix	trans	-60.9	-45.6	175.4	-173.5	-177.4	67.6	92.6	2.3	112.2	K76 N77 Q78 V83 L84	K76-R80 WeakPolarHBondContact O-CB 3.09Å; K76-R80 PolarHBondContact O-N 3.1Å; N77-R80 WeakPolarHBondContact O-CB 3.46Å; N77-R80 PolarHBondContact O-N 3.1Å; N77-R80 PolarHBondContact OD1-NE 3.29Å; N77-R80 PolarHBondContact OD1-NH2 3.22Å; Q78-R80 VanDerWaalsContact C-N 3.31Å; Q78-R80 PolarHBondContact O-N 2.91Å; R80-V83 PolarHBondContact O-N 3.48Å; R80-L84 WeakPolarHBondContact O-CG 3.43Å; R80-L84 PolarHBondContact O-N 2.92Å; R80-L84 VanDerWaalsContact O-N 3.08Å
81	L	97.5	Very high	96.8	Very high	76 Å²	76	94.9 Å²	94.9	40%	0.398	47%	0.472	S	S	.	.	H	α-helix	trans	-62.9	-40.9	178.1	-71.3	174.1	0	0	0	112	N77 Q78 V83 L84 Q85	N77-L81 WeakPolarHBondContact O-CG 3.43Å; N77-L81 PolarHBondContact O-N 2.97Å; Q78-L81 PolarHBondContact O-N 3.44Å; L81-V83 VanDerWaalsContact C-N 3.31Å; L81-V83 PolarHBondContact O-N 3.43Å; L81-L84 PolarHBondContact O-N 2.75Å; L81-Q85 WeakPolarHBondContact O-CB 3.49Å; L81-Q85 WeakPolarHBondContact O-CG 3.4Å; L81-Q85 PolarHBondContact O-N 3.46Å
82	K	97.9	Very high	96.7	Very high	142 Å²	142	94.6 Å²	94.6	62%	0.617	47%	0.47	S	S	*	.	H	α-helix	trans	-59.2	-41.3	175.1	-73.7	179.4	178.9	-178.3	0	112.4	Q78 S79 S86	Q78-K82 WeakPolarHBondContact O-CG 3.25Å; Q78-K82 PolarHBondContact O-N 3.03Å; S79-K82 PolarHBondContact O-N 2.69Å; K82-S86 WeakPolarHBondContact O-CB 3.44Å; K82-S86 PolarHBondContact O-N 3.22Å
83	V	96.9	Very high	96.5	Very high	77 Å²	77	96.4 Å²	96.4	47%	0.467	48%	0.477	S	S	.	.	H	α-helix	trans	-65.2	-43	176.2	174	0	0	0	0	111.1	S79 R80 L81 S86 R87	S79-V83 WeakPolarHBondContact O-CG2 3.41Å; S79-V83 PolarHBondContact O-N 3.47Å; S79-V83 VanDerWaalsContact O-N 3.16Å; R80-V83 PolarHBondContact O-N 3.48Å; L81-V83 VanDerWaalsContact C-N 3.31Å; L81-V83 PolarHBondContact O-N 3.43Å; V83-S86 PolarHBondContact O-N 3.37Å; V83-R87 WeakPolarHBondContact O-CG 3.46Å; V83-R87 PolarHBondContact O-N 3.2Å
84	L	96.1	Very high	96.4	Very high	81 Å²	81	95.5 Å²	95.5	42%	0.424	47%	0.466	S	S	.	.	H	α-helix	trans	-63.5	-46.6	177.8	-69.3	174.1	0	0	0	112.1	R80 L81 S86 R87 E88	R80-L84 WeakPolarHBondContact O-CG 3.43Å; R80-L84 PolarHBondContact O-N 2.92Å; R80-L84 VanDerWaalsContact O-N 3.08Å; L81-L84 PolarHBondContact O-N 2.75Å; L84-S86 VanDerWaalsContact C-N 3.33Å; L84-S86 PolarHBondContact O-N 2.83Å; L84-R87 PolarHBondContact O-N 3.48Å; L84-E88 PolarHBondContact O-N 2.92Å
85	Q	97.3	Very high	96.2	Very high	112 Å²	112	92.9 Å²	92.9	52%	0.523	45%	0.452	S	S	.	.	H	α-helix	trans	-59.8	-43.4	175.3	-73.9	175	-21.7	0	0	111.6	L81 R87 E88 N89	L81-Q85 WeakPolarHBondContact O-CB 3.49Å; L81-Q85 WeakPolarHBondContact O-CG 3.4Å; L81-Q85 PolarHBondContact O-N 3.46Å; Q85-R87 VanDerWaalsContact C-N 3.35Å; Q85-R87 PolarHBondContact O-N 2.79Å; Q85-E88 PolarHBondContact O-N 3.41Å; Q85-N89 PolarHBondContact O-N 3.35Å; Q85-N89 PolarHBondContact O-ND2 2.93Å; Q85-N89 PolarHBondContact O-OD1 3.47Å
86	S	96.3	Very high	96.1	Very high	54 Å²	54	94 Å²	94	38%	0.378	45%	0.452	S	S	.	.	H	α-helix	trans	-59.9	-46.1	175.9	-176.3	0	0	0	0	111.1	K82 V83 L84 E88 N89 H90	K82-S86 WeakPolarHBondContact O-CB 3.44Å; K82-S86 PolarHBondContact O-N 3.22Å; V83-S86 PolarHBondContact O-N 3.37Å; L84-S86 VanDerWaalsContact C-N 3.33Å; L84-S86 PolarHBondContact O-N 2.83Å; S86-E88 VanDerWaalsContact C-N 3.33Å; S86-E88 PolarHBondContact O-N 2.88Å; S86-N89 PolarHBondContact O-N 3.31Å; S86-H90 PolarHBondContact O-N 3.32Å; S86-H90 VanDerWaalsContact O-N 3.09Å; S86-H90 PolarHBondContact O-ND1 2.82Å; S86-H90 PolarHBondContact OG-CE1 3.33Å
87	R	95	Very high	95.9	Very high	115 Å²	115	90.9 Å²	90.9	43%	0.434	44%	0.44	S	S	.	.	H	α-helix	trans	-59.7	-42.3	177	-73	177.5	176	-173.7	-3.7	112.6	V83 L84 Q85 H90 I91 F215	V83-R87 WeakPolarHBondContact O-CG 3.46Å; V83-R87 PolarHBondContact O-N 3.2Å; L84-R87 PolarHBondContact O-N 3.48Å; Q85-R87 VanDerWaalsContact C-N 3.35Å; Q85-R87 PolarHBondContact O-N 2.79Å; R87-H90 PolarHBondContact O-N 2.94Å; R87-I91 PolarHBondContact O-N 3.3Å; R87-F215 HydrophobicContact CB-CE1 4.2Å; R87-F215 HydrophobicContact CB-CE2 4.02Å; R87-F215 HydrophobicContact CB-CZ 3.74Å; R87-F215 HydrophobicContact CG-CD1 4.14Å; R87-F215 HydrophobicContact CG-CE1 3.8Å; R87-F215 HydrophobicContact CG-CE2 4.24Å; R87-F215 HydrophobicContact CG-CZ 3.86Å; R87-F215 WeakPolarHBondContact O-CZ 3.49Å
88	E	94.2	Very high	95.8	Very high	117 Å²	117	89 Å²	89	55%	0.547	43%	0.434	S	S	.	.	H	α-helix	trans	-62.6	-46.6	176.5	-173.4	164.6	-153.3	0	0	111.7	L84 Q85 S86 H90 I91 E92	L84-E88 PolarHBondContact O-N 2.92Å; Q85-E88 PolarHBondContact O-N 3.41Å; S86-E88 VanDerWaalsContact C-N 3.33Å; S86-E88 PolarHBondContact O-N 2.88Å; E88-H90 VanDerWaalsContact C-N 3.28Å; E88-H90 PolarHBondContact O-N 3.46Å; E88-I91 WeakPolarHBondContact O-CA 3.34Å; E88-I91 WeakPolarHBondContact O-CB 3.19Å; E88-I91 PolarHBondContact O-N 3.47Å; E88-E92 PolarHBondContact O-N 2.89Å
89	N	96.2	Very high	95.6	Very high	83 Å²	83	88.4 Å²	88.4	44%	0.444	43%	0.427	S	S	.	.	H	α-helix	trans	-57.6	-38.5	176.4	-66.1	-10.6	0	0	0	112.6	Q85 S86 I91 E92 M93	Q85-N89 PolarHBondContact O-N 3.35Å; Q85-N89 PolarHBondContact O-ND2 2.93Å; Q85-N89 PolarHBondContact O-OD1 3.47Å; S86-N89 PolarHBondContact O-N 3.31Å; N89-I91 VanDerWaalsContact C-N 3.33Å; N89-I91 PolarHBondContact O-N 2.89Å; N89-E92 PolarHBondContact O-N 3.29Å; N89-M93 WeakPolarHBondContact O-CB 3.2Å; N89-M93 VanDerWaalsContact O-CG 3.3Å; N89-M93 WeakPolarHBondContact O-CG 3.38Å; N89-M93 PolarHBondContact O-N 3.49Å
90	H	94.7	Very high	95.3	Very high	106 Å²	106	90.9 Å²	90.9	49%	0.491	43%	0.431	S	S	.	.	H	α-helix	trans	-65	-37.7	176.4	-73.5	81.6	0	0	0	112	S86 R87 E88 L94 F215	S86-H90 PolarHBondContact O-N 3.32Å; S86-H90 VanDerWaalsContact O-N 3.09Å; S86-H90 PolarHBondContact O-ND1 2.82Å; S86-H90 PolarHBondContact OG-CE1 3.33Å; R87-H90 PolarHBondContact O-N 2.94Å; E88-H90 VanDerWaalsContact C-N 3.28Å; E88-H90 PolarHBondContact O-N 3.46Å; H90-L94 PolarHBondContact O-N 3.42Å; H90-L94 VanDerWaalsContact O-N 3.09Å; H90-F215 HydrophobicContact CB-CZ 4.28Å
91	I	94.2	Very high	95.1	Very high	20 Å²	20	92 Å²	92	10%	0.103	44%	0.436	C	S	.	.	H	α-helix	trans	-66.6	-45.7	174.8	-64.5	172.7	0	0	0	109.9	R87 E88 N89 M93 L94 L95 M207 R211 L214 F215	R87-I91 PolarHBondContact O-N 3.3Å; E88-I91 WeakPolarHBondContact O-CA 3.34Å; E88-I91 WeakPolarHBondContact O-CB 3.19Å; E88-I91 PolarHBondContact O-N 3.47Å; N89-I91 VanDerWaalsContact C-N 3.33Å; N89-I91 PolarHBondContact O-N 2.89Å; I91-M93 VanDerWaalsContact C-N 3.32Å; I91-M93 PolarHBondContact O-N 3.09Å; I91-L94 WeakPolarHBondContact O-CB 3.37Å; I91-L94 PolarHBondContact O-N 3.36Å; I91-L95 HydrophobicContact CG2-CD1 4.17Å; I91-L95 HydrophobicContact CG2-CG 4.39Å; I91-L95 WeakPolarHBondContact O-CG 3.48Å; I91-L95 PolarHBondContact O-N 3.49Å; I91-M207 HydrophobicContact CD1-SD 4.27Å; I91-M207 HydrophobicContact CG2-CE 4.01Å; I91-M207 HydrophobicContact CG2-SD 3.81Å; I91-R211 HydrophobicContact CD1-CG 4.22Å; I91-L214 HydrophobicContact CG1-CD1 4.33Å; I91-F215 HydrophobicContact CD1-CE2 4.12Å; I91-F215 HydrophobicContact CG1-CE2 4.16Å; I91-F215 HydrophobicContact CG1-CZ 4.47Å
92	E	94.3	Very high	94.9	Very high	114 Å²	114	90.7 Å²	90.7	53%	0.533	43%	0.429	S	S	.	.	H	α-helix	trans	-59.8	-42.1	177.6	-70.4	-174.1	169.4	0	0	112.3	E88 N89 L95 K96	E88-E92 PolarHBondContact O-N 2.89Å; N89-E92 PolarHBondContact O-N 3.29Å; E92-L95 PolarHBondContact O-N 3.31Å; E92-K96 WeakPolarHBondContact O-CB 3.43Å; E92-K96 PolarHBondContact O-N 2.64Å
93	M	95.4	Very high	94.6	Very high	133 Å²	133	90.2 Å²	90.2	66%	0.655	42%	0.423	S	S	*	.	H	α-helix	trans	-61	-43.5	174.8	-75	179.6	65.6	0	0	111.9	N89 I91 K96 E97	N89-M93 WeakPolarHBondContact O-CB 3.2Å; N89-M93 VanDerWaalsContact O-CG 3.3Å; N89-M93 WeakPolarHBondContact O-CG 3.38Å; N89-M93 PolarHBondContact O-N 3.49Å; I91-M93 VanDerWaalsContact C-N 3.32Å; I91-M93 PolarHBondContact O-N 3.09Å; M93-K96 PolarHBondContact O-N 3.17Å; M93-E97 PolarHBondContact O-N 3.28Å
94	L	95	Very high	94.3	Very high	56 Å²	56	91.4 Å²	91.4	29%	0.293	43%	0.425	S	S	.	.	H	α-helix	trans	-61.8	-45.9	176.4	-177	158.5	0	0	0	111.4	H90 I91 K96 E97 A98 L214	H90-L94 PolarHBondContact O-N 3.42Å; H90-L94 VanDerWaalsContact O-N 3.09Å; I91-L94 WeakPolarHBondContact O-CB 3.37Å; I91-L94 PolarHBondContact O-N 3.36Å; L94-K96 VanDerWaalsContact C-N 3.32Å; L94-K96 PolarHBondContact O-N 3.3Å; L94-E97 PolarHBondContact O-N 3.29Å; L94-A98 WeakPolarHBondContact O-CB 3.48Å; L94-A98 PolarHBondContact O-N 2.99Å; L94-L214 HydrophobicContact CD1-CD1 3.99Å; L94-L214 HydrophobicContact CD1-CD2 4.11Å
95	L	94	Very high	94.1	Very high	28 Å²	28	91 Å²	91	15%	0.147	43%	0.426	C	S	.	.	H	α-helix	trans	-64.9	-37.5	178	-66.2	179	0	0	0	111.7	I91 E92 A98 R99	I91-L95 HydrophobicContact CG2-CD1 4.17Å; I91-L95 HydrophobicContact CG2-CG 4.39Å; I91-L95 WeakPolarHBondContact O-CG 3.48Å; I91-L95 PolarHBondContact O-N 3.49Å; E92-L95 PolarHBondContact O-N 3.31Å; L95-A98 PolarHBondContact O-N 3.45Å; L95-R99 WeakPolarHBondContact O-CG 3.22Å; L95-R99 PolarHBondContact O-N 2.93Å
96	K	94	Very high	93.7	Very high	128 Å²	128	86.7 Å²	86.7	56%	0.557	41%	0.407	S	S	*	.	H	α-helix	trans	-62.3	-45.9	173.6	-173.6	-178.9	175.8	-175.5	0	111.6	E92 M93 L94 A98 R99 E100	E92-K96 WeakPolarHBondContact O-CB 3.43Å; E92-K96 PolarHBondContact O-N 2.64Å; M93-K96 PolarHBondContact O-N 3.17Å; L94-K96 VanDerWaalsContact C-N 3.32Å; L94-K96 PolarHBondContact O-N 3.3Å; K96-A98 VanDerWaalsContact C-N 3.31Å; K96-A98 PolarHBondContact O-N 2.93Å; K96-R99 WeakPolarHBondContact O-CB 3.23Å; K96-R99 PolarHBondContact O-N 3Å; K96-E100 PolarHBondContact O-N 3.25Å
97	E	94.9	Very high	93.4	Very high	93 Å²	93	92.6 Å²	92.6	44%	0.435	42%	0.421	S	S	.	.	H	α-helix	trans	-62.4	-39.2	175.6	-168.7	-173.9	159.2	0	0	111.4	M93 L94 R99 E100 R101	M93-E97 PolarHBondContact O-N 3.28Å; L94-E97 PolarHBondContact O-N 3.29Å; E97-R99 PolarHBondContact O-N 3.4Å; E97-E100 PolarHBondContact O-N 3.38Å; E97-R101 WeakPolarHBondContact O-CG 3.5Å; E97-R101 PolarHBondContact O-N 3.09Å; E97-R101 IonicContact OE1-CZ 3.96Å; E97-R101 IonicContact OE1-NE 3.14Å; E97-R101 PolarHBondContact OE1-NE 3.42Å; E97-R101 IonicContact OE1-NH2 3.11Å; E97-R101 PolarHBondContact OE1-NH2 3.46Å
98	A	94.7	Very high	93.3	Very high	24 Å²	24	91 Å²	91	20%	0.198	42%	0.421	C	S	.	.	H	α-helix	trans	-61.9	-41.1	175	0	0	0	0	0	112.1	L94 L95 K96 R101 L102 L199	L94-A98 WeakPolarHBondContact O-CB 3.48Å; L94-A98 PolarHBondContact O-N 2.99Å; L95-A98 PolarHBondContact O-N 3.45Å; K96-A98 VanDerWaalsContact C-N 3.31Å; K96-A98 PolarHBondContact O-N 2.93Å; A98-R101 PolarHBondContact O-N 2.95Å; A98-L102 WeakPolarHBondContact O-CG 3.35Å; A98-L102 PolarHBondContact O-N 2.83Å; A98-L199 HydrophobicContact CB-CD1 4Å; A98-L199 HydrophobicContact CB-CD2 3.98Å
99	R	93	Very high	93.1	Very high	98 Å²	98	92.3 Å²	92.3	37%	0.37	42%	0.421	S	S	.	.	H	α-helix	trans	-61.5	-43.5	173.1	-69.9	-179.2	-171.7	144.4	0.1	112	L95 K96 E97 R101 L102 R103 L199 D200	L95-R99 WeakPolarHBondContact O-CG 3.22Å; L95-R99 PolarHBondContact O-N 2.93Å; K96-R99 WeakPolarHBondContact O-CB 3.23Å; K96-R99 PolarHBondContact O-N 3Å; E97-R99 PolarHBondContact O-N 3.4Å; R99-R101 VanDerWaalsContact C-N 3.35Å; R99-R101 PolarHBondContact O-N 3.4Å; R99-L102 PolarHBondContact O-N 2.96Å; R99-R103 PolarHBondContact O-N 2.94Å; R99-L199 HydrophobicContact CB-CD2 4.31Å; R99-L199 HydrophobicContact CG-CD2 3.32Å; R99-D200 IonicContact CZ-OD1 3.36Å; R99-D200 IonicContact NE-OD1 3.55Å; R99-D200 IonicContact NH2-OD1 2.76Å; R99-D200 PolarHBondContact NH2-OD1 3.28Å; R99-D200 IonicContact NH2-OD2 2.65Å
100	E	92.9	Very high	92.9	Very high	112 Å²	112	93.9 Å²	93.9	52%	0.523	43%	0.429	S	S	.	.	H	α-helix	trans	-62.6	-42	176.8	-71.5	176.4	-171.5	0	0	111.5	K96 E97 R103 M104	K96-E100 PolarHBondContact O-N 3.25Å; E97-E100 PolarHBondContact O-N 3.38Å; E100-R103 WeakPolarHBondContact O-CB 3.35Å; E100-R103 PolarHBondContact O-N 2.98Å; E100-M104 WeakPolarHBondContact O-CG 3.49Å; E100-M104 PolarHBondContact O-N 2.94Å; E100-M104 VanDerWaalsContact O-N 3.1Å
101	R	93.2	Very high	92.8	Very high	163 Å²	163	92.2 Å²	92.2	62%	0.615	43%	0.426	S	S	*	.	H	α-helix	trans	-63.5	-41.1	174.5	-71.3	179.3	-176.9	-168.2	-0	112.4	E97 A98 R99 R103 M104 V105	E97-R101 WeakPolarHBondContact O-CG 3.5Å; E97-R101 PolarHBondContact O-N 3.09Å; E97-R101 IonicContact OE1-CZ 3.96Å; E97-R101 IonicContact OE1-NE 3.14Å; E97-R101 PolarHBondContact OE1-NE 3.42Å; E97-R101 IonicContact OE1-NH2 3.11Å; E97-R101 PolarHBondContact OE1-NH2 3.46Å; A98-R101 PolarHBondContact O-N 2.95Å; R99-R101 VanDerWaalsContact C-N 3.35Å; R99-R101 PolarHBondContact O-N 3.4Å; R101-R103 VanDerWaalsContact C-N 3.3Å; R101-R103 PolarHBondContact O-N 3.2Å; R101-M104 WeakPolarHBondContact O-CB 3.49Å; R101-M104 PolarHBondContact O-N 2.88Å; R101-M104 VanDerWaalsContact O-N 3.1Å; R101-V105 PolarHBondContact O-N 3.19Å; R101-V105 VanDerWaalsContact O-N 3.08Å
102	L	92.5	Very high	92.8	Very high	49 Å²	49	91.5 Å²	91.5	26%	0.257	42%	0.422	S	S	.	.	H	α-helix	trans	-59.6	-41.5	174.1	-74.8	172.7	0	0	0	111.6	A98 R99 M104 V105 T106 A177 L195 L199	A98-L102 WeakPolarHBondContact O-CG 3.35Å; A98-L102 PolarHBondContact O-N 2.83Å; R99-L102 PolarHBondContact O-N 2.96Å; L102-M104 VanDerWaalsContact C-N 3.28Å; L102-M104 PolarHBondContact O-N 3.43Å; L102-V105 PolarHBondContact O-N 2.71Å; L102-V105 VanDerWaalsContact O-N 3.16Å; L102-T106 WeakPolarHBondContact O-CG2 3.3Å; L102-T106 PolarHBondContact O-N 3.26Å; L102-A177 HydrophobicContact CB-CB 4.5Å; L102-L195 HydrophobicContact CD1-CB 4.42Å; L102-L199 HydrophobicContact CD1-CB 3.91Å; L102-L199 HydrophobicContact CD1-CD1 4.32Å; L102-L199 HydrophobicContact CD1-CD2 4Å; L102-L199 HydrophobicContact CD1-CG 4.3Å
103	R	91	Very high	92.8	Very high	131 Å²	131	89.1 Å²	89.1	49%	0.494	41%	0.411	S	S	.	.	H	α-helix	trans	-62.1	-35.7	174.9	-166.7	175.8	-174.8	-178.5	5	112.2	R99 E100 R101 T106 A177	R99-R103 PolarHBondContact O-N 2.94Å; E100-R103 WeakPolarHBondContact O-CB 3.35Å; E100-R103 PolarHBondContact O-N 2.98Å; R101-R103 VanDerWaalsContact C-N 3.3Å; R101-R103 PolarHBondContact O-N 3.2Å; R103-T106 PolarHBondContact O-N 3.39Å; R103-T106 PolarHBondContact O-OG1 3.45Å; R103-A177 HydrophobicContact CB-CB 4Å; R103-A177 HydrophobicContact CG-CB 4.44Å
104	M	91.9	Very high	92.7	Very high	103 Å²	103	90.8 Å²	90.8	51%	0.507	42%	0.415	S	S	.	.	H	α-helix	trans	-66.5	-39.1	174.6	-66.1	-61.8	-70.1	0	0	112.2	E100 R101 L102 T106 R107	E100-M104 WeakPolarHBondContact O-CG 3.49Å; E100-M104 PolarHBondContact O-N 2.94Å; E100-M104 VanDerWaalsContact O-N 3.1Å; R101-M104 WeakPolarHBondContact O-CB 3.49Å; R101-M104 PolarHBondContact O-N 2.88Å; R101-M104 VanDerWaalsContact O-N 3.1Å; L102-M104 VanDerWaalsContact C-N 3.28Å; L102-M104 PolarHBondContact O-N 3.43Å; M104-T106 VanDerWaalsContact C-N 3.28Å; M104-T106 PolarHBondContact O-N 3.37Å; M104-R107 WeakPolarHBondContact O-CB 3.47Å; M104-R107 PolarHBondContact O-N 2.99Å; M104-R107 VanDerWaalsContact O-N 3.13Å
105	V	91.1	Very high	92.7	Very high	73 Å²	73	90.6 Å²	90.6	44%	0.442	42%	0.418	S	S	.	.	H	α-helix	trans	-61.9	-36.8	176.2	176	0	0	0	0	111.5	R101 L102 R107 D108 V111	R101-V105 PolarHBondContact O-N 3.19Å; R101-V105 VanDerWaalsContact O-N 3.08Å; L102-V105 PolarHBondContact O-N 2.71Å; L102-V105 VanDerWaalsContact O-N 3.16Å; V105-R107 PolarHBondContact O-N 2.93Å; V105-R107 VanDerWaalsContact O-N 3.12Å; V105-D108 PolarHBondContact O-N 3.08Å; V105-D108 VanDerWaalsContact O-N 3.13Å; V105-V111 HydrophobicContact CG1-CG1 3.91Å
106	T	89	Confident	92.7	Very high	20 Å²	20	89.3 Å²	89.3	12%	0.123	41%	0.411	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-12.3	177.7	66.8	0	0	0	0	114.8	L102 R103 M104 Y112 A177 L195	L102-T106 WeakPolarHBondContact O-CG2 3.3Å; L102-T106 PolarHBondContact O-N 3.26Å; R103-T106 PolarHBondContact O-N 3.39Å; R103-T106 PolarHBondContact O-OG1 3.45Å; M104-T106 VanDerWaalsContact C-N 3.28Å; M104-T106 PolarHBondContact O-N 3.37Å; T106-Y112 HydrophobicContact CG2-CD2 3.67Å; T106-Y112 HydrophobicContact CG2-CE2 3.6Å; T106-Y112 HydrophobicContact CG2-CG 4.37Å; T106-A177 WeakPolarHBondContact CB-O 3.4Å; T106-A177 WeakPolarHBondContact CG2-O 3.49Å; T106-A177 PolarHBondContact OG1-O 2.98Å; T106-L195 HydrophobicContact CG2-CD1 3.31Å
107	R	89.7	Confident	92.8	Very high	178 Å²	178	84.2 Å²	84.2	67%	0.672	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-25	174.7	-60.9	-177.9	177.8	-176.6	0.9	112.5	M104 V105 R109	M104-R107 WeakPolarHBondContact O-CB 3.47Å; M104-R107 PolarHBondContact O-N 2.99Å; M104-R107 VanDerWaalsContact O-N 3.13Å; V105-R107 PolarHBondContact O-N 2.93Å; V105-R107 VanDerWaalsContact O-N 3.12Å; R107-R109 PolarHBondContact O-N 3.44Å
108	D	92.7	Very high	92.8	Very high	81 Å²	81	81.6 Å²	81.6	43%	0.433	39%	0.39	S	S	.	.	S	Bend	trans	-82.9	105.6	173.7	-173.6	-28.1	0	0	0	109	V105 D110 V111 Y112	V105-D108 PolarHBondContact O-N 3.08Å; V105-D108 VanDerWaalsContact O-N 3.13Å; D108-D110 VanDerWaalsContact C-N 3.32Å; D108-D110 PolarHBondContact O-N 2.86Å; D108-D110 PolarHBondContact OD1-N 3.13Å; D108-D110 VanDerWaalsContact OD1-N 3.16Å; D108-V111 HydrophobicContact CB-CB 4.15Å; D108-V111 HydrophobicContact CB-CG2 4.24Å; D108-V111 PolarHBondContact O-N 3.19Å; D108-V111 PolarHBondContact OD1-N 3.37Å; D108-V111 WeakPolarHBondContact OD2-CG2 3.48Å; D108-Y112 WeakPolarHBondContact O-CB 3.5Å; D108-Y112 PolarHBondContact O-N 3.16Å
109	R	90.2	Very high	92.9	Very high	146 Å²	146	80.9 Å²	80.9	55%	0.551	38%	0.382	S	S	*	.	H	α-helix	trans	-61.8	-38.3	-173.3	-171.8	176.4	178.6	165.9	2.3	112.4	R107 Q113 L143	R107-R109 PolarHBondContact O-N 3.44Å; R109-Q113 WeakPolarHBondContact O-CB 3.38Å; R109-Q113 PolarHBondContact O-N 2.91Å; R109-L143 HydrophobicContact CG-CD1 3.99Å
110	D	91.7	Very high	93	Very high	115 Å²	115	76.2 Å²	76.2	62%	0.615	37%	0.365	S	S	*	.	H	α-helix	trans	-73.8	-41.7	-175	-69.4	-21.5	0	0	0	111.1	D108 K114	D108-D110 VanDerWaalsContact C-N 3.32Å; D108-D110 PolarHBondContact O-N 2.86Å; D108-D110 PolarHBondContact OD1-N 3.13Å; D108-D110 VanDerWaalsContact OD1-N 3.16Å; D110-K114 PolarHBondContact O-N 3.28Å
111	V	93.4	Very high	93.1	Very high	71 Å²	71	72.4 Å²	72.4	43%	0.43	35%	0.348	S	S	.	.	H	α-helix	trans	-66.8	-45.5	175.3	178.4	0	0	0	0	110.1	V105 D108 Q113 K114 C115	V105-V111 HydrophobicContact CG1-CG1 3.91Å; D108-V111 HydrophobicContact CB-CB 4.15Å; D108-V111 HydrophobicContact CB-CG2 4.24Å; D108-V111 PolarHBondContact O-N 3.19Å; D108-V111 PolarHBondContact OD1-N 3.37Å; D108-V111 WeakPolarHBondContact OD2-CG2 3.48Å; V111-Q113 PolarHBondContact O-N 2.93Å; V111-K114 PolarHBondContact O-N 3.44Å; V111-C115 PolarHBondContact O-N 3.46Å; V111-C115 VanDerWaalsContact O-N 3.09Å
112	Y	94.4	Very high	93.3	Very high	5 Å²	5	68.2 Å²	68.2	2%	0.02	34%	0.335	C	S	.	.	H	α-helix	trans	-66.9	-36.7	-180	-173.8	-125.9	0	0	0	112.3	T106 D108 K114 C115 L116 D140 L143 G178 G179 L195	T106-Y112 HydrophobicContact CG2-CD2 3.67Å; T106-Y112 HydrophobicContact CG2-CE2 3.6Å; T106-Y112 HydrophobicContact CG2-CG 4.37Å; D108-Y112 WeakPolarHBondContact O-CB 3.5Å; D108-Y112 PolarHBondContact O-N 3.16Å; Y112-K114 PolarHBondContact O-N 3.4Å; Y112-C115 PolarHBondContact O-N 3.29Å; Y112-L116 VanDerWaalsContact O-CB 3.24Å; Y112-L116 WeakPolarHBondContact O-CB 3.43Å; Y112-L116 PolarHBondContact O-N 2.88Å; Y112-D140 WeakPolarHBondContact CE1-OD1 3.34Å; Y112-D140 PolarHBondContact OH-OD2 3.26Å; Y112-L143 HydrophobicContact CD1-CD2 3.43Å; Y112-L143 VanDerWaalsContact CD1-CD2 3.43Å; Y112-L143 HydrophobicContact CE1-CD2 3.88Å; Y112-L143 HydrophobicContact CG-CD2 4.36Å; Y112-G178 VanDerWaalsContact OH-CA 3.3Å; Y112-G178 WeakPolarHBondContact OH-CA 3.27Å; Y112-G179 PolarHBondContact OH-N 3.37Å; Y112-L195 HydrophobicContact CE2-CD1 4.26Å
113	Q	93.7	Very high	93.4	Very high	64 Å²	64	65.9 Å²	65.9	30%	0.299	32%	0.323	S	S	.	.	H	α-helix	trans	-59.7	-46.3	176.4	-170.2	174.7	-37.9	0	0	112	R109 V111 L116 S117 L143 V147	R109-Q113 WeakPolarHBondContact O-CB 3.38Å; R109-Q113 PolarHBondContact O-N 2.91Å; V111-Q113 PolarHBondContact O-N 2.93Å; Q113-L116 PolarHBondContact O-N 3.44Å; Q113-S117 PolarHBondContact O-N 2.92Å; Q113-L143 HydrophobicContact CB-CD1 3.97Å; Q113-L143 HydrophobicContact CB-CD2 4.34Å; Q113-L143 HydrophobicContact CB-CG 4.39Å; Q113-L143 HydrophobicContact CG-CD1 3.87Å; Q113-L143 HydrophobicContact CG-CG 4.33Å; Q113-V147 HydrophobicContact CG-CG2 3.35Å
114	K	94.2	Very high	93.6	Very high	168 Å²	168	59.7 Å²	59.7	73%	0.73	30%	0.3	S	S	*	.	H	α-helix	trans	-63.6	-43	176.6	-70.2	176.5	-178	174.1	0	111.6	D110 V111 Y112 S117 G118	D110-K114 PolarHBondContact O-N 3.28Å; V111-K114 PolarHBondContact O-N 3.44Å; Y112-K114 PolarHBondContact O-N 3.4Å; K114-S117 PolarHBondContact O-N 2.97Å; K114-G118 PolarHBondContact O-N 3.24Å
115	C	94.3	Very high	93.7	Very high	53 Å²	53	57.6 Å²	57.6	36%	0.358	29%	0.288	S	S	.	.	H	α-helix	trans	-60.9	-49.4	176.4	-176.5	0	0	0	0	111.1	V111 Y112 S117 G118 L119	V111-C115 PolarHBondContact O-N 3.46Å; V111-C115 VanDerWaalsContact O-N 3.09Å; Y112-C115 PolarHBondContact O-N 3.29Å; C115-S117 VanDerWaalsContact C-N 3.33Å; C115-S117 PolarHBondContact O-N 3.43Å; C115-G118 PolarHBondContact O-N 2.97Å; C115-G118 VanDerWaalsContact O-N 3.1Å; C115-L119 WeakPolarHBondContact O-CG 3.27Å; C115-L119 PolarHBondContact O-N 3.02Å
116	L	95	Very high	93.9	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-59.9	-41	179.7	-170.3	64.8	0	0	0	112.1	Y112 Q113 G118 L119 I120 L143 I180	Y112-L116 VanDerWaalsContact O-CB 3.24Å; Y112-L116 WeakPolarHBondContact O-CB 3.43Å; Y112-L116 PolarHBondContact O-N 2.88Å; Q113-L116 PolarHBondContact O-N 3.44Å; L116-G118 VanDerWaalsContact C-N 3.33Å; L116-G118 PolarHBondContact O-N 3.47Å; L116-L119 PolarHBondContact O-N 3.42Å; L116-I120 HydrophobicContact CG-CD1 4.19Å; L116-I120 VanDerWaalsContact O-CG1 3.28Å; L116-I120 WeakPolarHBondContact O-CG1 3.49Å; L116-I120 PolarHBondContact O-N 2.92Å; L116-L143 HydrophobicContact CD2-CB 4.32Å; L116-L143 HydrophobicContact CD2-CD2 3.97Å; L116-L143 HydrophobicContact CD2-CG 4.08Å; L116-I180 HydrophobicContact CD1-CG2 3.63Å
117	S	95.3	Very high	94.1	Very high	21 Å²	21	60.2 Å²	60.2	15%	0.147	29%	0.294	C	S	.	.	H	α-helix	trans	-56.7	-46.4	173.5	-174.8	0	0	0	0	112	Q113 K114 C115 I120 L121 V147 C151	Q113-S117 PolarHBondContact O-N 2.92Å; K114-S117 PolarHBondContact O-N 2.97Å; C115-S117 VanDerWaalsContact C-N 3.33Å; C115-S117 PolarHBondContact O-N 3.43Å; S117-I120 PolarHBondContact O-N 3.45Å; S117-L121 WeakPolarHBondContact O-CB 3.49Å; S117-L121 PolarHBondContact O-N 3.39Å; S117-V147 VanDerWaalsContact CA-CG1 3.48Å; S117-V147 VanDerWaalsContact CB-CG1 3.42Å; S117-C151 PolarHBondContact O-SG 3.05Å; S117-C151 PolarHBondContact OG-SG 3.45Å; S117-C151 VanDerWaalsContact OG-SG 3.41Å
118	G	95.9	Very high	94.2	Very high	39 Å²	39	56.9 Å²	56.9	40%	0.402	29%	0.289	S	S	.	.	H	α-helix	trans	-62.3	-43.6	175.2	0	0	0	0	0	113	K114 C115 L116 L121 E122	K114-G118 PolarHBondContact O-N 3.24Å; C115-G118 PolarHBondContact O-N 2.97Å; C115-G118 VanDerWaalsContact O-N 3.1Å; L116-G118 VanDerWaalsContact C-N 3.33Å; L116-G118 PolarHBondContact O-N 3.47Å; G118-L121 PolarHBondContact O-N 3.12Å; G118-E122 WeakPolarHBondContact O-CB 3.34Å; G118-E122 PolarHBondContact O-N 3.33Å
119	L	95.9	Very high	94.2	Very high	8 Å²	8	55.9 Å²	55.9	4%	0.042	28%	0.282	C	S	.	.	H	α-helix	trans	-64.1	-41	179.4	-65.6	174.6	0	0	0	112.5	C115 L116 G123 I180 N193 L195 R198	C115-L119 WeakPolarHBondContact O-CG 3.27Å; C115-L119 PolarHBondContact O-N 3.02Å; L116-L119 PolarHBondContact O-N 3.42Å; L119-G123 PolarHBondContact O-N 2.89Å; L119-G123 VanDerWaalsContact O-N 3.09Å; L119-I180 HydrophobicContact CB-CD1 4.34Å; L119-I180 HydrophobicContact CB-CG1 4.49Å; L119-N193 WeakPolarHBondContact CA-ND2 3.49Å; L119-N193 WeakPolarHBondContact CD2-OD1 3.44Å; L119-N193 PolarHBondContact O-ND2 3.03Å; L119-L195 HydrophobicContact CD1-CD2 4.21Å; L119-R198 VanDerWaalsContact CD2-CD 3.43Å
120	I	95.6	Very high	94.3	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-62.3	-51.5	174.5	-65.6	167.9	0	0	0	109.5	L116 S117 E122 G123 L124 I134 T144 V147 L148 C151 I180	L116-I120 HydrophobicContact CG-CD1 4.19Å; L116-I120 VanDerWaalsContact O-CG1 3.28Å; L116-I120 WeakPolarHBondContact O-CG1 3.49Å; L116-I120 PolarHBondContact O-N 2.92Å; S117-I120 PolarHBondContact O-N 3.45Å; I120-E122 PolarHBondContact O-N 2.77Å; I120-G123 PolarHBondContact O-N 2.81Å; I120-L124 HydrophobicContact CG2-CD1 3.95Å; I120-L124 HydrophobicContact CG2-CG 4.28Å; I120-L124 WeakPolarHBondContact O-CG 3.37Å; I120-L124 PolarHBondContact O-N 3.09Å; I120-I134 HydrophobicContact CG1-CD1 4.39Å; I120-I134 HydrophobicContact CG2-CD1 3.95Å; I120-T144 HydrophobicContact CD1-CG2 4.1Å; I120-V147 HydrophobicContact CD1-CG1 4.22Å; I120-L148 HydrophobicContact CD1-CD2 4.49Å; I120-L148 HydrophobicContact CG2-CD2 4.4Å; I120-C151 HydrophobicContact CB-CB 4.42Å; I120-C151 HydrophobicContact CG2-CB 3.79Å; I120-I180 HydrophobicContact CB-CD1 3.94Å; I120-I180 HydrophobicContact CG1-CD1 3.35Å
121	L	95.5	Very high	94.4	Very high	32 Å²	32	50.4 Å²	50.4	17%	0.168	27%	0.266	C	S	.	.	H	α-helix	trans	-62.6	-44	-175.8	-173.6	63.9	0	0	0	112.3	S117 G118 G123 L124 F125 A154	S117-L121 WeakPolarHBondContact O-CB 3.49Å; S117-L121 PolarHBondContact O-N 3.39Å; G118-L121 PolarHBondContact O-N 3.12Å; L121-G123 VanDerWaalsContact C-N 3.34Å; L121-G123 PolarHBondContact O-N 3.44Å; L121-L124 PolarHBondContact O-N 3.29Å; L121-F125 HydrophobicContact CD1-CD2 4.31Å; L121-F125 HydrophobicContact CD1-CE1 4.38Å; L121-F125 HydrophobicContact CD1-CE2 3.61Å; L121-F125 HydrophobicContact CD1-CZ 3.6Å; L121-F125 HydrophobicContact CD2-CE2 3.87Å; L121-F125 HydrophobicContact CD2-CZ 4.39Å; L121-F125 HydrophobicContact CG-CD2 3.98Å; L121-F125 HydrophobicContact CG-CE2 3.4Å; L121-F125 HydrophobicContact CG-CZ 3.95Å; L121-F125 VanDerWaalsContact O-CD2 3.25Å; L121-F125 WeakPolarHBondContact O-CD2 3.43Å; L121-F125 WeakPolarHBondContact O-CG 3.5Å; L121-F125 PolarHBondContact O-N 3.01Å; L121-A154 HydrophobicContact CD1-CB 4.04Å; L121-A154 HydrophobicContact CD2-CB 4.23Å
122	E	95.6	Very high	94.5	Very high	75 Å²	75	47.1 Å²	47.1	35%	0.35	25%	0.247	S	C	.	.	H	α-helix	trans	-58.5	-45.2	173.7	-176.7	-174.7	-168.1	0	0	111.4	G118 I120 L124 F125 Q126 N193 R198	G118-E122 WeakPolarHBondContact O-CB 3.34Å; G118-E122 PolarHBondContact O-N 3.33Å; I120-E122 PolarHBondContact O-N 2.77Å; E122-L124 PolarHBondContact O-N 3.48Å; E122-F125 PolarHBondContact O-N 3.18Å; E122-Q126 WeakPolarHBondContact O-CB 3.25Å; E122-Q126 PolarHBondContact O-N 2.93Å; E122-N193 PolarHBondContact OE2-ND2 2.72Å; E122-R198 IonicContact OE1-CZ 3.54Å; E122-R198 IonicContact OE1-NH1 3.79Å; E122-R198 PolarHBondContact OE1-NH1 3.36Å; E122-R198 IonicContact OE1-NH2 3Å; E122-R198 PolarHBondContact OE1-NH2 3.4Å; E122-R198 VanDerWaalsContact OE1-NH2 3.14Å; E122-R198 IonicContact OE2-CZ 2.66Å; E122-R198 IonicContact OE2-NH1 3.4Å; E122-R198 PolarHBondContact OE2-NH1 2.94Å; E122-R198 IonicContact OE2-NH2 2.68Å
123	G	95.3	Very high	94.6	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-63.7	-38.5	177.6	0	0	0	0	0	113.6	L119 I120 L121 Q126 L127	L119-G123 PolarHBondContact O-N 2.89Å; L119-G123 VanDerWaalsContact O-N 3.09Å; I120-G123 PolarHBondContact O-N 2.81Å; L121-G123 VanDerWaalsContact C-N 3.34Å; L121-G123 PolarHBondContact O-N 3.44Å; G123-Q126 PolarHBondContact O-N 3.38Å; G123-L127 PolarHBondContact O-N 3.36Å
124	L	94.9	Very high	94.7	Very high	1 Å²	1	46.1 Å²	46.1	1%	0.005	24%	0.243	C	C	.	.	H	α-helix	trans	-65.6	-43.5	175.1	-68.2	174.8	0	0	0	111.5	I120 L121 E122 Q126 L127 L128 V132 Y155 V165 L182	I120-L124 HydrophobicContact CG2-CD1 3.95Å; I120-L124 HydrophobicContact CG2-CG 4.28Å; I120-L124 WeakPolarHBondContact O-CG 3.37Å; I120-L124 PolarHBondContact O-N 3.09Å; L121-L124 PolarHBondContact O-N 3.29Å; E122-L124 PolarHBondContact O-N 3.48Å; L124-Q126 PolarHBondContact O-N 3.31Å; L124-L127 PolarHBondContact O-N 3.3Å; L124-L128 PolarHBondContact O-N 2.75Å; L124-V132 HydrophobicContact CD2-CB 4.04Å; L124-V132 HydrophobicContact CD2-CG1 3.98Å; L124-V132 HydrophobicContact CD2-CG2 4Å; L124-Y155 HydrophobicContact CB-CD2 3.63Å; L124-Y155 HydrophobicContact CB-CE2 3.97Å; L124-Y155 HydrophobicContact CB-CG 4.36Å; L124-Y155 HydrophobicContact CD1-CG 4.5Å; L124-Y155 WeakPolarHBondContact O-CE2 3.34Å; L124-V165 HydrophobicContact CD1-CG2 4.32Å; L124-V165 HydrophobicContact CD2-CG2 3.83Å; L124-L182 HydrophobicContact CD2-CD2 3.99Å; L124-L182 HydrophobicContact CG-CD2 4.16Å
125	F	95	Very high	94.7	Very high	59 Å²	59	40.3 Å²	40.3	26%	0.259	22%	0.218	S	C	.	.	H	α-helix	trans	-66.4	-25.5	175.3	-69.6	-42.8	0	0	0	113.7	L121 E122 L128 Y155 Q158 T159	L121-F125 HydrophobicContact CD1-CD2 4.31Å; L121-F125 HydrophobicContact CD1-CE1 4.38Å; L121-F125 HydrophobicContact CD1-CE2 3.61Å; L121-F125 HydrophobicContact CD1-CZ 3.6Å; L121-F125 HydrophobicContact CD2-CE2 3.87Å; L121-F125 HydrophobicContact CD2-CZ 4.39Å; L121-F125 HydrophobicContact CG-CD2 3.98Å; L121-F125 HydrophobicContact CG-CE2 3.4Å; L121-F125 HydrophobicContact CG-CZ 3.95Å; L121-F125 VanDerWaalsContact O-CD2 3.25Å; L121-F125 WeakPolarHBondContact O-CD2 3.43Å; L121-F125 WeakPolarHBondContact O-CG 3.5Å; L121-F125 PolarHBondContact O-N 3.01Å; E122-F125 PolarHBondContact O-N 3.18Å; F125-L128 WeakPolarHBondContact O-CD2 3.42Å; F125-L128 VanDerWaalsContact O-CG 3.25Å; F125-L128 WeakPolarHBondContact O-CG 3.35Å; F125-Y155 AromaticContact CD1-CD2 3.64Å; F125-Y155 HydrophobicContact CD1-CD2 3.64Å; F125-Y155 AromaticContact CD1-CE2 3.84Å; F125-Y155 HydrophobicContact CD1-CE2 3.84Å; F125-Y155 AromaticContact CE1-CD2 3.62Å; F125-Y155 HydrophobicContact CE1-CD2 3.62Å; F125-Y155 HydrophobicContact CE1-CE2 4.19Å; F125-Y155 HydrophobicContact CE1-CG 4.4Å; F125-Q158 HydrophobicContact CE1-CB 3.78Å; F125-Q158 HydrophobicContact CZ-CB 3.71Å; F125-Q158 HydrophobicContact CZ-CG 4Å; F125-Q158 VanDerWaalsContact CZ-OE1 3.25Å; F125-T159 HydrophobicContact CD1-CG2 3.89Å; F125-T159 HydrophobicContact CE1-CG2 3.77Å
126	Q	94.3	Very high	94.8	Very high	132 Å²	132	37.8 Å²	37.8	62%	0.617	20%	0.201	S	C	*	.	H	α-helix	trans	-81.1	-33.6	176.2	-169.9	171.3	8	0	0	112.7	E122 G123 L124 V191	E122-Q126 WeakPolarHBondContact O-CB 3.25Å; E122-Q126 PolarHBondContact O-N 2.93Å; G123-Q126 PolarHBondContact O-N 3.38Å; L124-Q126 PolarHBondContact O-N 3.31Å; Q126-V191 HydrophobicContact CB-CG2 4.18Å; Q126-V191 HydrophobicContact CG-CG2 3.97Å; Q126-V191 VanDerWaalsContact OE1-CG1 3.27Å
127	L	93.3	Very high	94.8	Very high	16 Å²	16	38.6 Å²	38.6	8%	0.084	20%	0.204	C	C	.	.	H	α-helix	trans	-78.6	-45.8	178	-78	175.5	0	0	0	113.1	G123 L124 E129 V132 L182 I189 V191	G123-L127 PolarHBondContact O-N 3.36Å; L124-L127 PolarHBondContact O-N 3.3Å; L127-E129 VanDerWaalsContact C-N 3.28Å; L127-E129 HydrophobicContact CB-CG 4.42Å; L127-E129 PolarHBondContact O-N 2.97Å; L127-V132 HydrophobicContact CD1-CG1 3.71Å; L127-V132 HydrophobicContact CD1-CG2 4.08Å; L127-L182 HydrophobicContact CD1-CB 3.45Å; L127-L182 VanDerWaalsContact CD1-CB 3.45Å; L127-L182 HydrophobicContact CD1-CD2 4.47Å; L127-I189 HydrophobicContact CD2-CB 4.15Å; L127-I189 HydrophobicContact CD2-CG2 3.51Å; L127-V191 HydrophobicContact CD1-CG2 4.49Å; L127-V191 HydrophobicContact CD2-CG2 3.72Å; L127-V191 HydrophobicContact CG-CB 4.42Å; L127-V191 HydrophobicContact CG-CG2 3.69Å
128	L	92.5	Very high	94.7	Very high	108 Å²	108	43.5 Å²	43.5	57%	0.565	22%	0.224	S	C	*	.			trans	52.2	40.4	-175.9	-57.8	176.1	0	0	0	114.4	L124 F125 Y155 T159	L124-L128 PolarHBondContact O-N 2.75Å; F125-L128 WeakPolarHBondContact O-CD2 3.42Å; F125-L128 VanDerWaalsContact O-CG 3.25Å; F125-L128 WeakPolarHBondContact O-CG 3.35Å; L128-Y155 HydrophobicContact CD2-CE2 4.21Å; L128-T159 HydrophobicContact CD2-CG2 4.23Å
129	E	91.8	Very high	94.5	Very high	60 Å²	60	46.6 Å²	46.6	28%	0.28	24%	0.235	S	C	.	.			trans	-107.7	149.6	-179.1	-69	-80.3	-161.1	0	0	111.4	L127 E131 V132 C163 N184	L127-E129 VanDerWaalsContact C-N 3.28Å; L127-E129 HydrophobicContact CB-CG 4.42Å; L127-E129 PolarHBondContact O-N 2.97Å; E129-E131 VanDerWaalsContact C-N 3.33Å; E129-E131 PolarHBondContact O-N 2.9Å; E129-V132 HydrophobicContact CB-CG2 4.13Å; E129-C163 PolarHBondContact O-SG 3.26Å; E129-N184 HydrophobicContact CG-CB 3.91Å
130	P	91.8	Very high	94.4	Very high	83 Å²	83	46.7 Å²	46.7	54%	0.539	24%	0.236	S	C	.	.	S	Bend	trans	-71.2	-26.4	179.3	28.9	-34.5	0	0	0	113.1	C163 R164	P130-C163 CarbonylContact O-C 3.12Å; P130-C163 WeakPolarHBondContact O-CA 3.36Å; P130-R164 PolarHBondContact O-N 2.97Å
131	E	94.2	Very high	94.3	Very high	64 Å²	64	51.3 Å²	51.3	30%	0.299	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	121.8	177.5	-73.1	-177.7	-140.2	0	0	109.9	E129 R164 K185	E129-E131 VanDerWaalsContact C-N 3.33Å; E129-E131 PolarHBondContact O-N 2.9Å; E131-R164 WeakPolarHBondContact CA-O 3.32Å; E131-R164 HydrophobicContact CG-CB 4.2Å; E131-K185 HydrophobicContact CB-CB 4.09Å; E131-K185 HydrophobicContact CB-CD 4.33Å; E131-K185 HydrophobicContact CB-CG 4.47Å; E131-K185 PolarHBondContact O-N 3.14Å; E131-K185 IonicContact OE1-NZ 2.8Å; E131-K185 PolarHBondContact OE1-NZ 2.89Å; E131-K185 WeakPolarHBondContact OE2-CD 3.49Å; E131-K185 WeakPolarHBondContact OE2-CE 3.29Å; E131-K185 IonicContact OE2-NZ 3.01Å; E131-K185 PolarHBondContact OE2-NZ 2.94Å
132	V	95.7	Very high	94.2	Very high	2 Å²	2	55.3 Å²	55.3	1%	0.012	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	133.4	-177.8	177.7	0	0	0	0	110.5	L124 L127 E129 I134 R164 V165 T166 L182 Y183	L124-V132 HydrophobicContact CD2-CB 4.04Å; L124-V132 HydrophobicContact CD2-CG1 3.98Å; L124-V132 HydrophobicContact CD2-CG2 4Å; L127-V132 HydrophobicContact CD1-CG1 3.71Å; L127-V132 HydrophobicContact CD1-CG2 4.08Å; E129-V132 HydrophobicContact CB-CG2 4.13Å; V132-I134 HydrophobicContact CG1-CG1 4.42Å; V132-R164 PolarHBondContact N-O 3.04Å; V132-V165 WeakPolarHBondContact O-CA 3.46Å; V132-T166 PolarHBondContact O-N 2.96Å; V132-L182 HydrophobicContact CG1-CB 3.9Å; V132-L182 HydrophobicContact CG1-CD2 3.9Å; V132-L182 HydrophobicContact CG1-CG 4.43Å; V132-Y183 CarbonylContact C-O 3.54Å; V132-Y183 WeakPolarHBondContact CA-O 3.47Å
133	I	95.8	Very high	94.1	Very high	47 Å²	47	52.3 Å²	52.3	24%	0.241	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	124.5	177.6	-58.7	169.1	0	0	0	108.5	T166 D168 L182 Y183	I133-T166 CarbonylContact C-O 3.54Å; I133-T166 WeakPolarHBondContact CA-O 3.39Å; I133-D168 HydrophobicContact CG2-CB 3.71Å; I133-L182 CarbonylContact O-C 3.53Å; I133-L182 WeakPolarHBondContact O-CA 3.11Å; I133-Y183 PolarHBondContact N-O 3.16Å; I133-Y183 PolarHBondContact O-N 3.48Å
134	I	96.1	Very high	94	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	128.5	179.1	-61.5	-170.8	0	0	0	110.2	I120 V132 T144 L148 V165 T166 I167 D168 I180 E181 L182	I120-I134 HydrophobicContact CG1-CD1 4.39Å; I120-I134 HydrophobicContact CG2-CD1 3.95Å; V132-I134 HydrophobicContact CG1-CG1 4.42Å; I134-T144 HydrophobicContact CG2-CG2 4.34Å; I134-L148 HydrophobicContact CD1-CD2 3.91Å; I134-V165 HydrophobicContact CD1-CG1 3.42Å; I134-V165 VanDerWaalsContact CD1-CG1 3.42Å; I134-V165 HydrophobicContact CG1-CG1 3.67Å; I134-T166 PolarHBondContact N-O 3.44Å; I134-I167 WeakPolarHBondContact O-CA 3.37Å; I134-D168 PolarHBondContact O-N 3.4Å; I134-I180 HydrophobicContact CG2-CB 4.07Å; I134-I180 HydrophobicContact CG2-CG2 4.04Å; I134-E181 CarbonylContact C-O 3.59Å; I134-E181 WeakPolarHBondContact CA-O 3.47Å; I134-L182 HydrophobicContact CD1-CD2 4.08Å; I134-L182 HydrophobicContact CD1-CG 4.45Å; I134-L182 HydrophobicContact CG1-CD2 4.13Å; I134-L182 HydrophobicContact CG1-CG 4.14Å
135	K	95.5	Very high	94	Very high	46 Å²	46	57.1 Å²	57.1	20%	0.2	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	130.1	164.7	-63.1	-171.3	179.9	174.2	0	109.3	D168 N170 L172 I180 E181 Y183	K135-D168 WeakPolarHBondContact CE-OD2 3.45Å; K135-D168 HydrophobicContact CG-CB 3.93Å; K135-D168 IonicContact NZ-OD2 2.75Å; K135-N170 WeakPolarHBondContact CG-O 3.46Å; K135-L172 HydrophobicContact CB-CD2 4.03Å; K135-L172 HydrophobicContact CB-CG 4.23Å; K135-I180 WeakPolarHBondContact O-CA 3.35Å; K135-E181 HydrophobicContact CB-CB 4.35Å; K135-E181 PolarHBondContact N-O 3.39Å; K135-E181 PolarHBondContact O-N 2.96Å; K135-Y183 HydrophobicContact CB-CE2 4.29Å; K135-Y183 HydrophobicContact CD-CD2 4.23Å; K135-Y183 HydrophobicContact CD-CE2 3.56Å; K135-Y183 HydrophobicContact CG-CD2 4.14Å; K135-Y183 HydrophobicContact CG-CE2 3.83Å
136	C	95.1	Very high	93.9	Very high	1 Å²	1	59 Å²	59	1%	0.007	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	171.3	175.1	58.6	0	0	0	0	108.9	D140 Y171 L172 I180	C136-D140 HydrophobicContact CB-CB 4.42Å; C136-Y171 CarbonylContact O-C 3.48Å; C136-Y171 VanDerWaalsContact O-CA 3.27Å; C136-Y171 WeakPolarHBondContact O-CA 3.33Å; C136-Y171 WeakPolarHBondContact O-CB 3.32Å; C136-Y171 WeakPolarHBondContact O-CD1 3.31Å; C136-L172 PolarHBondContact O-N 2.9Å; C136-I180 HydrophobicContact CB-CG2 4.2Å
137	R	94.8	Very high	93.9	Very high	17 Å²	17	52.8 Å²	52.8	6%	0.064	27%	0.267	C	S	.	.	B	Isolated β-bridge	trans	-67.8	154.3	170.6	-64.5	-179	-58.3	177.4	2.7	109.9	V139 D140 R141 L172 L176 A177	R137-V139 HydrophobicContact CB-CG2 4Å; R137-V139 PolarHBondContact O-N 3.29Å; R137-D140 HydrophobicContact CB-CB 4.5Å; R137-D140 IonicContact CZ-OD1 2.77Å; R137-D140 IonicContact CZ-OD2 3.9Å; R137-D140 VanDerWaalsContact CZ-OD2 3.3Å; R137-D140 IonicContact NE-OD2 3.62Å; R137-D140 PolarHBondContact NE-OD2 3.49Å; R137-D140 IonicContact NH2-OD1 2.81Å; R137-D140 PolarHBondContact NH2-OD1 3.02Å; R137-D140 VanDerWaalsContact NH2-OD1 3.11Å; R137-D140 IonicContact NH2-OD2 3.59Å; R137-D140 PolarHBondContact NH2-OD2 2.96Å; R137-D140 PolarHBondContact O-N 2.95Å; R137-R141 PolarHBondContact O-N 3.02Å; R137-L172 HydrophobicContact CG-CB 4.02Å; R137-L176 WeakPolarHBondContact CD-O 3.5Å; R137-L176 PolarHBondContact NH1-O 2.89Å; R137-A177 VanDerWaalsContact CZ-C 3.49Å; R137-A177 PolarHBondContact NH1-O 2.73Å; R137-A177 PolarHBondContact NH2-O 3.36Å
138	Q	93.8	Very high	93.9	Very high	124 Å²	124	52.5 Å²	52.5	58%	0.579	27%	0.266	S	S	*	.	G	3₁₀ helix	trans	-58.5	-38.3	-179.2	-170.4	174.7	5	0	0	112.3	D140 R141 Y171	Q138-D140 VanDerWaalsContact C-N 3.26Å; Q138-D140 PolarHBondContact O-N 3.47Å; Q138-R141 WeakPolarHBondContact O-CB 3.32Å; Q138-R141 PolarHBondContact O-N 3Å; Q138-Y171 HydrophobicContact CB-CD1 4.21Å; Q138-Y171 HydrophobicContact CB-CD2 3.99Å; Q138-Y171 HydrophobicContact CB-CE2 4.43Å; Q138-Y171 HydrophobicContact CB-CG 3.87Å; Q138-Y171 HydrophobicContact CG-CD2 4.08Å; Q138-Y171 HydrophobicContact CG-CE2 4.06Å; Q138-Y171 HydrophobicContact CG-CG 4.39Å
139	V	92.5	Very high	94	Very high	103 Å²	103	51.5 Å²	51.5	62%	0.624	27%	0.266	S	S	*	.	G	3₁₀ helix	trans	-66.7	-23.3	177.4	-63.4	0	0	0	0	114	R137	R137-V139 HydrophobicContact CB-CG2 4Å; R137-V139 PolarHBondContact O-N 3.29Å
140	D	94	Very high	94.1	Very high	11 Å²	11	54.5 Å²	54.5	6%	0.059	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-93.6	-9.7	-175.7	-63.4	-26.4	0	0	0	112.1	Y112 C136 R137 Q138 D142 L143 T144	Y112-D140 WeakPolarHBondContact CE1-OD1 3.34Å; Y112-D140 PolarHBondContact OH-OD2 3.26Å; C136-D140 HydrophobicContact CB-CB 4.42Å; R137-D140 HydrophobicContact CB-CB 4.5Å; R137-D140 IonicContact CZ-OD1 2.77Å; R137-D140 IonicContact CZ-OD2 3.9Å; R137-D140 VanDerWaalsContact CZ-OD2 3.3Å; R137-D140 IonicContact NE-OD2 3.62Å; R137-D140 PolarHBondContact NE-OD2 3.49Å; R137-D140 IonicContact NH2-OD1 2.81Å; R137-D140 PolarHBondContact NH2-OD1 3.02Å; R137-D140 VanDerWaalsContact NH2-OD1 3.11Å; R137-D140 IonicContact NH2-OD2 3.59Å; R137-D140 PolarHBondContact NH2-OD2 2.96Å; R137-D140 PolarHBondContact O-N 2.95Å; Q138-D140 VanDerWaalsContact C-N 3.26Å; Q138-D140 PolarHBondContact O-N 3.47Å; D140-D142 PolarHBondContact O-N 3Å; D140-L143 WeakPolarHBondContact O-CB 3.46Å; D140-L143 PolarHBondContact O-N 3.41Å; D140-T144 PolarHBondContact O-N 3.16Å; D140-T144 PolarHBondContact O-OG1 3.29Å; D140-T144 VanDerWaalsContact O-OG1 3.07Å
141	R	93.3	Very high	94.2	Very high	96 Å²	96	50.6 Å²	50.6	36%	0.362	26%	0.255	S	S	.	.	H	α-helix	trans	-52.3	-49	-173.6	-176.3	-175.8	-176.6	171.6	2.8	112.9	R137 Q138 L143 T144 Q145 Y171	R137-R141 PolarHBondContact O-N 3.02Å; Q138-R141 WeakPolarHBondContact O-CB 3.32Å; Q138-R141 PolarHBondContact O-N 3Å; R141-L143 VanDerWaalsContact C-N 3.32Å; R141-L143 PolarHBondContact O-N 3.26Å; R141-T144 PolarHBondContact O-N 3.34Å; R141-Q145 WeakPolarHBondContact O-CB 3.5Å; R141-Q145 PolarHBondContact O-N 3.18Å; R141-Y171 PolarHBondContact NH1-OH 2.78Å
142	D	92.7	Very high	94.2	Very high	116 Å²	116	49.5 Å²	49.5	62%	0.62	25%	0.252	S	S	*	.	H	α-helix	trans	-65.7	-38.4	-178.2	-66.2	-19.7	0	0	0	111.2	D140 Q145 N146	D140-D142 PolarHBondContact O-N 3Å; D142-Q145 PolarHBondContact O-N 3.33Å; D142-N146 PolarHBondContact O-N 3.34Å; D142-N146 VanDerWaalsContact O-N 3.1Å; D142-N146 PolarHBondContact O-ND2 2.98Å
143	L	93.1	Very high	94.1	Very high	12 Å²	12	52.3 Å²	52.3	6%	0.063	28%	0.275	C	S	.	.	H	α-helix	trans	-68	-45.4	177.3	-165.2	68.7	0	0	0	111	R109 Y112 Q113 L116 D140 R141 Q145 N146 V147	R109-L143 HydrophobicContact CG-CD1 3.99Å; Y112-L143 HydrophobicContact CD1-CD2 3.43Å; Y112-L143 VanDerWaalsContact CD1-CD2 3.43Å; Y112-L143 HydrophobicContact CE1-CD2 3.88Å; Y112-L143 HydrophobicContact CG-CD2 4.36Å; Q113-L143 HydrophobicContact CB-CD1 3.97Å; Q113-L143 HydrophobicContact CB-CD2 4.34Å; Q113-L143 HydrophobicContact CB-CG 4.39Å; Q113-L143 HydrophobicContact CG-CD1 3.87Å; Q113-L143 HydrophobicContact CG-CG 4.33Å; L116-L143 HydrophobicContact CD2-CB 4.32Å; L116-L143 HydrophobicContact CD2-CD2 3.97Å; L116-L143 HydrophobicContact CD2-CG 4.08Å; D140-L143 WeakPolarHBondContact O-CB 3.46Å; D140-L143 PolarHBondContact O-N 3.41Å; R141-L143 VanDerWaalsContact C-N 3.32Å; R141-L143 PolarHBondContact O-N 3.26Å; L143-Q145 VanDerWaalsContact C-N 3.35Å; L143-Q145 PolarHBondContact O-N 2.85Å; L143-N146 PolarHBondContact O-N 2.97Å; L143-V147 VanDerWaalsContact O-CG2 3.3Å; L143-V147 WeakPolarHBondContact O-CG2 3.44Å; L143-V147 PolarHBondContact O-N 2.66Å; L143-V147 VanDerWaalsContact O-N 3.15Å
144	T	93.8	Very high	94	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-57.3	-48.9	174.5	-56	0	0	0	0	110.2	I120 I134 D140 R141 N146 V147 L148 I167	I120-T144 HydrophobicContact CD1-CG2 4.1Å; I134-T144 HydrophobicContact CG2-CG2 4.34Å; D140-T144 PolarHBondContact O-N 3.16Å; D140-T144 PolarHBondContact O-OG1 3.29Å; D140-T144 VanDerWaalsContact O-OG1 3.07Å; R141-T144 PolarHBondContact O-N 3.34Å; T144-N146 VanDerWaalsContact C-N 3.29Å; T144-N146 PolarHBondContact O-N 3.45Å; T144-V147 PolarHBondContact O-N 3.09Å; T144-V147 VanDerWaalsContact O-N 3.14Å; T144-L148 HydrophobicContact CG2-CG 4.31Å; T144-L148 VanDerWaalsContact O-CG 3.28Å; T144-L148 WeakPolarHBondContact O-CG 3.46Å; T144-L148 PolarHBondContact O-N 2.92Å; T144-I167 HydrophobicContact CG2-CD1 3.83Å; T144-I167 HydrophobicContact CG2-CG1 4.33Å
145	Q	94.1	Very high	94	Very high	103 Å²	103	51.7 Å²	51.7	48%	0.481	28%	0.277	S	S	.	.	H	α-helix	trans	-60.3	-36.8	-179.1	-170.6	62.8	53.5	0	0	113	R141 D142 L143 P149 I167	R141-Q145 WeakPolarHBondContact O-CB 3.5Å; R141-Q145 PolarHBondContact O-N 3.18Å; D142-Q145 PolarHBondContact O-N 3.33Å; L143-Q145 VanDerWaalsContact C-N 3.35Å; L143-Q145 PolarHBondContact O-N 2.85Å; Q145-P149 WeakPolarHBondContact O-CD 3.38Å; Q145-I167 HydrophobicContact CB-CD1 4.05Å; Q145-I167 VanDerWaalsContact OE1-CD1 3.27Å
146	N	93.5	Very high	93.9	Very high	99 Å²	99	56 Å²	56	53%	0.529	29%	0.292	S	S	.	.	H	α-helix	trans	-71	-33	177.7	-70.7	-30.5	0	0	0	113.1	D142 L143 T144	D142-N146 PolarHBondContact O-N 3.34Å; D142-N146 VanDerWaalsContact O-N 3.1Å; D142-N146 PolarHBondContact O-ND2 2.98Å; L143-N146 PolarHBondContact O-N 2.97Å; T144-N146 VanDerWaalsContact C-N 3.29Å; T144-N146 PolarHBondContact O-N 3.45Å
147	V	94.7	Very high	93.8	Very high	0 Å²	0	65 Å²	65	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-86.3	-26.2	-176.7	173.1	0	0	0	0	112.4	Q113 S117 I120 L143 T144 P149 E150 C151	Q113-V147 HydrophobicContact CG-CG2 3.35Å; S117-V147 VanDerWaalsContact CA-CG1 3.48Å; S117-V147 VanDerWaalsContact CB-CG1 3.42Å; I120-V147 HydrophobicContact CD1-CG1 4.22Å; L143-V147 VanDerWaalsContact O-CG2 3.3Å; L143-V147 WeakPolarHBondContact O-CG2 3.44Å; L143-V147 PolarHBondContact O-N 2.66Å; L143-V147 VanDerWaalsContact O-N 3.15Å; T144-V147 PolarHBondContact O-N 3.09Å; T144-V147 VanDerWaalsContact O-N 3.14Å; V147-P149 VanDerWaalsContact C-CD 3.5Å; V147-E150 WeakPolarHBondContact O-CB 3.14Å; V147-E150 PolarHBondContact O-N 3.45Å; V147-E150 VanDerWaalsContact O-N 3.13Å; V147-C151 VanDerWaalsContact CG1-SG 3.55Å; V147-C151 PolarHBondContact O-N 3.47Å
148	L	94	Very high	93.7	Very high	10 Å²	10	70.5 Å²	70.5	5%	0.052	36%	0.357	C	S	.	.	H	α-helix	trans	-49.5	-47.1	-178.2	-85.6	179.8	0	0	0	115.2	I120 I134 T144 E150 C151 V152 V165 I167	I120-L148 HydrophobicContact CD1-CD2 4.49Å; I120-L148 HydrophobicContact CG2-CD2 4.4Å; I134-L148 HydrophobicContact CD1-CD2 3.91Å; T144-L148 HydrophobicContact CG2-CG 4.31Å; T144-L148 VanDerWaalsContact O-CG 3.28Å; T144-L148 WeakPolarHBondContact O-CG 3.46Å; T144-L148 PolarHBondContact O-N 2.92Å; L148-E150 VanDerWaalsContact C-N 3.29Å; L148-E150 PolarHBondContact O-N 2.96Å; L148-C151 PolarHBondContact O-N 3.03Å; L148-V152 WeakPolarHBondContact O-CG2 3.41Å; L148-V152 PolarHBondContact O-N 2.68Å; L148-V165 HydrophobicContact CD2-CB 4.16Å; L148-V165 HydrophobicContact CD2-CG1 3.56Å; L148-I167 HydrophobicContact CD1-CD1 3.77Å; L148-I167 HydrophobicContact CD1-CG1 3.69Å
149	P	93.6	Very high	93.6	Very high	87 Å²	87	66.9 Å²	66.9	57%	0.565	34%	0.343	S	S	*	.	H	α-helix	trans	-60.7	-38.1	-178.9	-24.1	35.1	0	0	0	112.9	Q145 V147 A153	Q145-P149 WeakPolarHBondContact O-CD 3.38Å; V147-P149 VanDerWaalsContact C-CD 3.5Å; P149-A153 WeakPolarHBondContact O-CB 3.48Å; P149-A153 PolarHBondContact O-N 3.27Å; P149-A153 VanDerWaalsContact O-N 3.11Å
150	E	94.2	Very high	93.5	Very high	124 Å²	124	65.1 Å²	65.1	58%	0.579	35%	0.346	S	S	*	.	H	α-helix	trans	-66.5	-45.6	177.4	-171.7	-175.8	170.6	0	0	110.8	V147 L148 A153 A154	V147-E150 WeakPolarHBondContact O-CB 3.14Å; V147-E150 PolarHBondContact O-N 3.45Å; V147-E150 VanDerWaalsContact O-N 3.13Å; L148-E150 VanDerWaalsContact C-N 3.29Å; L148-E150 PolarHBondContact O-N 2.96Å; E150-A153 PolarHBondContact O-N 3.39Å; E150-A154 WeakPolarHBondContact O-CB 3.41Å; E150-A154 PolarHBondContact O-N 2.89Å
151	C	94.3	Very high	93.3	Very high	1 Å²	1	67.9 Å²	67.9	1%	0.007	36%	0.363	C	S	.	.	H	α-helix	trans	-63.2	-42.5	178.1	-63.4	0	0	0	0	112.8	S117 I120 V147 L148 A154 Y155	S117-C151 PolarHBondContact O-SG 3.05Å; S117-C151 PolarHBondContact OG-SG 3.45Å; S117-C151 VanDerWaalsContact OG-SG 3.41Å; I120-C151 HydrophobicContact CB-CB 4.42Å; I120-C151 HydrophobicContact CG2-CB 3.79Å; V147-C151 VanDerWaalsContact CG1-SG 3.55Å; V147-C151 PolarHBondContact O-N 3.47Å; L148-C151 PolarHBondContact O-N 3.03Å; C151-A154 PolarHBondContact O-N 3.45Å; C151-Y155 WeakPolarHBondContact O-CB 3.42Å; C151-Y155 PolarHBondContact O-N 3.29Å
152	V	93.4	Very high	93.1	Very high	40 Å²	40	68.1 Å²	68.1	24%	0.242	37%	0.372	C	S	.	.	H	α-helix	trans	-66.4	-40.6	179	173.8	0	0	0	0	111	L148 Y155 R156 V165	L148-V152 WeakPolarHBondContact O-CG2 3.41Å; L148-V152 PolarHBondContact O-N 2.68Å; V152-Y155 PolarHBondContact O-N 3.23Å; V152-R156 WeakPolarHBondContact O-CB 3.34Å; V152-R156 PolarHBondContact O-N 3Å; V152-V165 HydrophobicContact CG2-CB 4.26Å; V152-V165 HydrophobicContact CG2-CG2 3.72Å
153	A	94.2	Very high	93	Very high	61 Å²	61	63 Å²	63	50%	0.504	35%	0.345	S	S	.	.	H	α-helix	trans	-63.9	-42.5	174.6	0	0	0	0	0	111.9	P149 E150 R156 K157	P149-A153 WeakPolarHBondContact O-CB 3.48Å; P149-A153 PolarHBondContact O-N 3.27Å; P149-A153 VanDerWaalsContact O-N 3.11Å; E150-A153 PolarHBondContact O-N 3.39Å; A153-R156 PolarHBondContact O-N 3.46Å; A153-K157 WeakPolarHBondContact O-CB 3.47Å; A153-K157 PolarHBondContact O-N 3.46Å
154	A	94.1	Very high	93	Very high	31 Å²	31	70.6 Å²	70.6	26%	0.256	37%	0.373	S	S	.	.	H	α-helix	trans	-65	-41.3	176.2	0	0	0	0	0	112.4	L121 E150 C151 K157 Q158	L121-A154 HydrophobicContact CD1-CB 4.04Å; L121-A154 HydrophobicContact CD2-CB 4.23Å; E150-A154 WeakPolarHBondContact O-CB 3.41Å; E150-A154 PolarHBondContact O-N 2.89Å; C151-A154 PolarHBondContact O-N 3.45Å; A154-K157 PolarHBondContact O-N 3.21Å; A154-Q158 PolarHBondContact O-N 3.38Å
155	Y	94.4	Very high	93	Very high	4 Å²	4	71.8 Å²	71.8	2%	0.016	38%	0.38	C	S	.	.	H	α-helix	trans	-61.1	-49.9	174.9	177.2	-92.8	0	0	0	111.3	L124 F125 L128 C151 V152 K157 Q158 T159 T161 C163	L124-Y155 HydrophobicContact CB-CD2 3.63Å; L124-Y155 HydrophobicContact CB-CE2 3.97Å; L124-Y155 HydrophobicContact CB-CG 4.36Å; L124-Y155 HydrophobicContact CD1-CG 4.5Å; L124-Y155 WeakPolarHBondContact O-CE2 3.34Å; F125-Y155 AromaticContact CD1-CD2 3.64Å; F125-Y155 HydrophobicContact CD1-CD2 3.64Å; F125-Y155 AromaticContact CD1-CE2 3.84Å; F125-Y155 HydrophobicContact CD1-CE2 3.84Å; F125-Y155 AromaticContact CE1-CD2 3.62Å; F125-Y155 HydrophobicContact CE1-CD2 3.62Å; F125-Y155 HydrophobicContact CE1-CE2 4.19Å; F125-Y155 HydrophobicContact CE1-CG 4.4Å; L128-Y155 HydrophobicContact CD2-CE2 4.21Å; C151-Y155 WeakPolarHBondContact O-CB 3.42Å; C151-Y155 PolarHBondContact O-N 3.29Å; V152-Y155 PolarHBondContact O-N 3.23Å; Y155-K157 VanDerWaalsContact C-N 3.29Å; Y155-K157 PolarHBondContact O-N 3.46Å; Y155-Q158 PolarHBondContact O-N 3.34Å; Y155-Q158 VanDerWaalsContact O-N 3.12Å; Y155-T159 HydrophobicContact CD2-CG2 4.01Å; Y155-T159 HydrophobicContact CE1-CG2 4.17Å; Y155-T159 VanDerWaalsContact CE1-OG1 3.32Å; Y155-T159 WeakPolarHBondContact CE1-OG1 3.39Å; Y155-T159 HydrophobicContact CE2-CG2 3.59Å; Y155-T159 HydrophobicContact CG-CG2 4.48Å; Y155-T159 PolarHBondContact O-N 3.3Å; Y155-T159 PolarHBondContact O-OG1 2.97Å; Y155-T161 WeakPolarHBondContact CE1-OG1 3.37Å; Y155-T161 PolarHBondContact OH-OG1 3.47Å; Y155-C163 HydrophobicContact CD1-CB 3.75Å; Y155-C163 HydrophobicContact CE1-CB 3.54Å
156	R	93.9	Very high	93	Very high	137 Å²	137	69.8 Å²	69.8	52%	0.517	38%	0.375	S	S	.	.	H	α-helix	trans	-59.1	-39.9	178.3	-174.4	-175.5	-179.2	151.1	-0.2	111.9	V152 A153 Q158 G160 D162	V152-R156 WeakPolarHBondContact O-CB 3.34Å; V152-R156 PolarHBondContact O-N 3Å; A153-R156 PolarHBondContact O-N 3.46Å; R156-Q158 VanDerWaalsContact C-N 3.3Å; R156-Q158 PolarHBondContact O-N 3.02Å; R156-G160 VanDerWaalsContact O-CA 3.29Å; R156-G160 WeakPolarHBondContact O-CA 3.49Å; R156-G160 PolarHBondContact O-N 2.88Å; R156-D162 WeakPolarHBondContact CD-OD1 3.41Å; R156-D162 IonicContact CZ-OD1 3.19Å; R156-D162 IonicContact CZ-OD2 3.67Å; R156-D162 IonicContact NE-OD1 3.22Å; R156-D162 PolarHBondContact NE-OD1 2.65Å; R156-D162 VanDerWaalsContact NE-OD1 3.14Å; R156-D162 IonicContact NH1-OD1 3.78Å; R156-D162 PolarHBondContact NH1-OD1 3.36Å; R156-D162 IonicContact NH1-OD2 3.2Å; R156-D162 IonicContact NH2-OD1 2.64Å; R156-D162 IonicContact NH2-OD2 3.76Å
157	K	93.8	Very high	93	Very high	190 Å²	190	66.3 Å²	66.3	83%	0.826	36%	0.356	S	S	*	.	H	α-helix	trans	-62.9	-34.8	178	-175	179.5	177.7	-177.3	0	112.7	A153 A154 Y155	A153-K157 WeakPolarHBondContact O-CB 3.47Å; A153-K157 PolarHBondContact O-N 3.46Å; A154-K157 PolarHBondContact O-N 3.21Å; Y155-K157 VanDerWaalsContact C-N 3.29Å; Y155-K157 PolarHBondContact O-N 3.46Å
158	Q	92.9	Very high	92.9	Very high	132 Å²	132	68.2 Å²	68.2	62%	0.617	37%	0.366	S	S	*	.	H	α-helix	trans	-91.1	-36	-176.4	-68.6	-173	47.7	0	0	113.4	F125 A154 Y155 R156	F125-Q158 HydrophobicContact CE1-CB 3.78Å; F125-Q158 HydrophobicContact CZ-CB 3.71Å; F125-Q158 HydrophobicContact CZ-CG 4Å; F125-Q158 VanDerWaalsContact CZ-OE1 3.25Å; A154-Q158 PolarHBondContact O-N 3.38Å; Y155-Q158 PolarHBondContact O-N 3.34Å; Y155-Q158 VanDerWaalsContact O-N 3.12Å; R156-Q158 VanDerWaalsContact C-N 3.3Å; R156-Q158 PolarHBondContact O-N 3.02Å
159	T	92.2	Very high	92.7	Very high	47 Å²	47	73 Å²	73	29%	0.288	39%	0.392	S	S	.	.	H	α-helix	trans	-96.5	-22.1	-178.1	65.1	0	0	0	0	114.1	F125 L128 Y155 T161	F125-T159 HydrophobicContact CD1-CG2 3.89Å; F125-T159 HydrophobicContact CE1-CG2 3.77Å; L128-T159 HydrophobicContact CD2-CG2 4.23Å; Y155-T159 HydrophobicContact CD2-CG2 4.01Å; Y155-T159 HydrophobicContact CE1-CG2 4.17Å; Y155-T159 VanDerWaalsContact CE1-OG1 3.32Å; Y155-T159 WeakPolarHBondContact CE1-OG1 3.39Å; Y155-T159 HydrophobicContact CE2-CG2 3.59Å; Y155-T159 HydrophobicContact CG-CG2 4.48Å; Y155-T159 PolarHBondContact O-N 3.3Å; Y155-T159 PolarHBondContact O-OG1 2.97Å; T159-T161 PolarHBondContact O-N 2.86Å; T159-T161 PolarHBondContact OG1-N 3.36Å; T159-T161 PolarHBondContact OG1-OG1 3.01Å
160	G	90	Very high	92.7	Very high	66 Å²	66	73.6 Å²	73.6	68%	0.68	39%	0.391	S	S	*	.	S	Bend	trans	73	3.5	-170.4	0	0	0	0	0	114.5	R156	R156-G160 VanDerWaalsContact O-CA 3.29Å; R156-G160 WeakPolarHBondContact O-CA 3.49Å; R156-G160 PolarHBondContact O-N 2.88Å
161	T	89.4	Confident	92.6	Very high	69 Å²	69	71 Å²	71	42%	0.423	38%	0.376	S	S	.	.			trans	-108.5	143.4	-178.2	61.2	0	0	0	0	111.5	Y155 T159	Y155-T161 WeakPolarHBondContact CE1-OG1 3.37Å; Y155-T161 PolarHBondContact OH-OG1 3.47Å; T159-T161 PolarHBondContact O-N 2.86Å; T159-T161 PolarHBondContact OG1-N 3.36Å; T159-T161 PolarHBondContact OG1-OG1 3.01Å
162	D	89.1	Confident	92.6	Very high	101 Å²	101	71.4 Å²	71.4	54%	0.54	38%	0.378	S	S	.	.			trans	-81.8	132.4	171.4	-77.2	-41.8	0	0	0	109.7	R156	R156-D162 WeakPolarHBondContact CD-OD1 3.41Å; R156-D162 IonicContact CZ-OD1 3.19Å; R156-D162 IonicContact CZ-OD2 3.67Å; R156-D162 IonicContact NE-OD1 3.22Å; R156-D162 PolarHBondContact NE-OD1 2.65Å; R156-D162 VanDerWaalsContact NE-OD1 3.14Å; R156-D162 IonicContact NH1-OD1 3.78Å; R156-D162 PolarHBondContact NH1-OD1 3.36Å; R156-D162 IonicContact NH1-OD2 3.2Å; R156-D162 IonicContact NH2-OD1 2.64Å; R156-D162 IonicContact NH2-OD2 3.76Å
163	C	90	Very high	92.7	Very high	10 Å²	10	73.2 Å²	73.2	7%	0.068	39%	0.391	C	S	.	.			trans	-124	124.5	177	-178.1	0	0	0	0	109.5	E129 P130 Y155	E129-C163 PolarHBondContact O-SG 3.26Å; P130-C163 CarbonylContact O-C 3.12Å; P130-C163 WeakPolarHBondContact O-CA 3.36Å; Y155-C163 HydrophobicContact CD1-CB 3.75Å; Y155-C163 HydrophobicContact CE1-CB 3.54Å
164	R	92.9	Very high	92.5	Very high	170 Å²	170	75 Å²	75	64%	0.642	39%	0.392	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90	111.6	174.9	-177.2	-178.9	-176.8	-179.6	1.1	109.1	P130 E131 V132	P130-R164 PolarHBondContact O-N 2.97Å; E131-R164 WeakPolarHBondContact CA-O 3.32Å; E131-R164 HydrophobicContact CG-CB 4.2Å; V132-R164 PolarHBondContact N-O 3.04Å
165	V	94.4	Very high	92.3	Very high	25 Å²	25	78.2 Å²	78.2	15%	0.152	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	127.3	-179.9	-171	0	0	0	0	110.4	L124 V132 I134 L148 V152	L124-V165 HydrophobicContact CD1-CG2 4.32Å; L124-V165 HydrophobicContact CD2-CG2 3.83Å; V132-V165 WeakPolarHBondContact O-CA 3.46Å; I134-V165 HydrophobicContact CD1-CG1 3.42Å; I134-V165 VanDerWaalsContact CD1-CG1 3.42Å; I134-V165 HydrophobicContact CG1-CG1 3.67Å; L148-V165 HydrophobicContact CD2-CB 4.16Å; L148-V165 HydrophobicContact CD2-CG1 3.56Å; V152-V165 HydrophobicContact CG2-CB 4.26Å; V152-V165 HydrophobicContact CG2-CG2 3.72Å
166	T	93.9	Very high	92.1	Very high	61 Å²	61	79.6 Å²	79.6	37%	0.374	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	140.4	177.2	54.1	0	0	0	0	111.1	V132 I133 I134	V132-T166 PolarHBondContact O-N 2.96Å; I133-T166 CarbonylContact C-O 3.54Å; I133-T166 WeakPolarHBondContact CA-O 3.39Å; I134-T166 PolarHBondContact N-O 3.44Å
167	I	94.3	Very high	92	Very high	26 Å²	26	73.1 Å²	73.1	13%	0.133	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	126.4	174.4	-53.4	-178.8	0	0	0	109	I134 T144 Q145 L148	I134-I167 WeakPolarHBondContact O-CA 3.37Å; T144-I167 HydrophobicContact CG2-CD1 3.83Å; T144-I167 HydrophobicContact CG2-CG1 4.33Å; Q145-I167 HydrophobicContact CB-CD1 4.05Å; Q145-I167 VanDerWaalsContact OE1-CD1 3.27Å; L148-I167 HydrophobicContact CD1-CD1 3.77Å; L148-I167 HydrophobicContact CD1-CG1 3.69Å
168	D	92.3	Very high	91.9	Very high	40 Å²	40	64.1 Å²	64.1	21%	0.214	36%	0.357	C	S	.	.			trans	-70.7	153.5	174.7	-162.3	-5.9	0	0	0	111	I133 I134 K135 N170	I133-D168 HydrophobicContact CG2-CB 3.71Å; I134-D168 PolarHBondContact O-N 3.4Å; K135-D168 WeakPolarHBondContact CE-OD2 3.45Å; K135-D168 HydrophobicContact CG-CB 3.93Å; K135-D168 IonicContact NZ-OD2 2.75Å; D168-N170 VanDerWaalsContact C-N 3.29Å; D168-N170 PolarHBondContact OD1-N 2.89Å; D168-N170 PolarHBondContact OD1-ND2 3.43Å; D168-N170 WeakPolarHBondContact OD2-CB 3.22Å; D168-N170 PolarHBondContact OD2-ND2 2.88Å
169	N	90.6	Very high	92	Very high	110 Å²	110	57.8 Å²	57.8	59%	0.588	33%	0.327	S	S	*	.	S	Bend	trans	-82	-10.2	170.4	-65.5	-46.7	0	0	0	112.3	Y171	N169-Y171 WeakPolarHBondContact O-CD2 3.35Å; N169-Y171 VanDerWaalsContact O-CE2 3.32Å; N169-Y171 WeakPolarHBondContact O-CE2 3.31Å; N169-Y171 PolarHBondContact O-N 3.49Å
170	N	92.1	Very high	92.1	Very high	101 Å²	101	55.6 Å²	55.6	54%	0.54	31%	0.313	S	S	.	.	S	Bend	trans	-84.3	103.5	171.3	-58.2	-53.6	0	0	0	110.5	K135 D168	K135-N170 WeakPolarHBondContact CG-O 3.46Å; D168-N170 VanDerWaalsContact C-N 3.29Å; D168-N170 PolarHBondContact OD1-N 2.89Å; D168-N170 PolarHBondContact OD1-ND2 3.43Å; D168-N170 WeakPolarHBondContact OD2-CB 3.22Å; D168-N170 PolarHBondContact OD2-ND2 2.88Å
171	Y	93.6	Very high	92.5	Very high	69 Å²	69	54 Å²	54	27%	0.271	29%	0.288	S	S	.	.	P	Polyproline II helix	trans	-80.7	155	-177.6	-56.8	-66.1	0	0	0	113.4	C136 Q138 R141 N169	C136-Y171 CarbonylContact O-C 3.48Å; C136-Y171 VanDerWaalsContact O-CA 3.27Å; C136-Y171 WeakPolarHBondContact O-CA 3.33Å; C136-Y171 WeakPolarHBondContact O-CB 3.32Å; C136-Y171 WeakPolarHBondContact O-CD1 3.31Å; Q138-Y171 HydrophobicContact CB-CD1 4.21Å; Q138-Y171 HydrophobicContact CB-CD2 3.99Å; Q138-Y171 HydrophobicContact CB-CE2 4.43Å; Q138-Y171 HydrophobicContact CB-CG 3.87Å; Q138-Y171 HydrophobicContact CG-CD2 4.08Å; Q138-Y171 HydrophobicContact CG-CE2 4.06Å; Q138-Y171 HydrophobicContact CG-CG 4.39Å; R141-Y171 PolarHBondContact NH1-OH 2.78Å; N169-Y171 WeakPolarHBondContact O-CD2 3.35Å; N169-Y171 VanDerWaalsContact O-CE2 3.32Å; N169-Y171 WeakPolarHBondContact O-CE2 3.31Å; N169-Y171 PolarHBondContact O-N 3.49Å
172	L	94.1	Very high	92.8	Very high	10 Å²	10	50.7 Å²	50.7	5%	0.052	27%	0.268	C	S	.	.	B	Isolated β-bridge	trans	-70.1	152	168.1	-62.2	180	0	0	0	110.8	K135 C136 R137 L176 E181 T194	K135-L172 HydrophobicContact CB-CD2 4.03Å; K135-L172 HydrophobicContact CB-CG 4.23Å; C136-L172 PolarHBondContact O-N 2.9Å; R137-L172 HydrophobicContact CG-CB 4.02Å; L172-L176 HydrophobicContact CB-CD1 4.13Å; L172-L176 HydrophobicContact CD1-CD1 4.33Å; L172-E181 HydrophobicContact CD1-CG 4.21Å; L172-E181 HydrophobicContact CD2-CB 4.32Å; L172-E181 VanDerWaalsContact CD2-CD 3.41Å; L172-E181 HydrophobicContact CD2-CG 3.75Å; L172-T194 HydrophobicContact CD1-CG2 4.03Å
173	P	93.8	Very high	93.2	Very high	78 Å²	78	47.6 Å²	47.6	51%	0.506	25%	0.249	S	C	.	.	P	Polyproline II helix	trans	-60.3	141.4	178.1	-22.2	32.9	0	0	0	113.2	S175 L176	P173-S175 PolarHBondContact O-N 3.46Å; P173-S175 VanDerWaalsContact O-N 3.08Å; P173-L176 PolarHBondContact O-N 3.28Å
174	D	90	Very high	93.4	Very high	99 Å²	99	47.4 Å²	47.4	53%	0.529	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-10.9	177.8	-68.8	-19.9	0	0	0	114.1	L176	D174-L176 VanDerWaalsContact C-N 3.26Å; D174-L176 PolarHBondContact O-N 3.44Å
175	S	90.1	Very high	93.3	Very high	97 Å²	97	45.1 Å²	45.1	68%	0.678	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-24.3	174.7	58.6	0	0	0	0	113.1	P173	P173-S175 PolarHBondContact O-N 3.46Å; P173-S175 VanDerWaalsContact O-N 3.08Å
176	L	90.9	Very high	93	Very high	33 Å²	33	49.2 Å²	49.2	17%	0.173	26%	0.263	C	S	.	.	S	Bend	trans	-73.2	146.5	177.5	-63.9	175.4	0	0	0	110.6	R137 L172 P173 D174 G178 T194 E196	R137-L176 WeakPolarHBondContact CD-O 3.5Å; R137-L176 PolarHBondContact NH1-O 2.89Å; L172-L176 HydrophobicContact CB-CD1 4.13Å; L172-L176 HydrophobicContact CD1-CD1 4.33Å; P173-L176 PolarHBondContact O-N 3.28Å; D174-L176 VanDerWaalsContact C-N 3.26Å; D174-L176 PolarHBondContact O-N 3.44Å; L176-G178 VanDerWaalsContact C-N 3.34Å; L176-T194 HydrophobicContact CD1-CG2 4.18Å; L176-E196 HydrophobicContact CD2-CB 4.34Å; L176-E196 HydrophobicContact CD2-CG 3.95Å
177	A	91	Very high	92.8	Very high	1 Å²	1	48.5 Å²	48.5	1%	0.008	27%	0.268	C	S	.	.			trans	-70.5	-32.5	177.6	0	0	0	0	0	111.2	L102 R103 T106 R137 L195 E196	L102-A177 HydrophobicContact CB-CB 4.5Å; R103-A177 HydrophobicContact CB-CB 4Å; R103-A177 HydrophobicContact CG-CB 4.44Å; T106-A177 WeakPolarHBondContact CB-O 3.4Å; T106-A177 WeakPolarHBondContact CG2-O 3.49Å; T106-A177 PolarHBondContact OG1-O 2.98Å; R137-A177 VanDerWaalsContact CZ-C 3.49Å; R137-A177 PolarHBondContact NH1-O 2.73Å; R137-A177 PolarHBondContact NH2-O 3.36Å; A177-L195 HydrophobicContact CB-CB 4.45Å; A177-L195 HydrophobicContact CB-CD1 4.36Å; A177-E196 WeakPolarHBondContact CA-OE1 3.45Å; A177-E196 WeakPolarHBondContact CB-OE1 3.34Å; A177-E196 PolarHBondContact N-OE1 2.88Å; A177-E196 PolarHBondContact N-OE2 3.24Å
178	G	92.7	Very high	92.7	Very high	1 Å²	1	57.1 Å²	57.1	1%	0.01	30%	0.299	C	S	.	.	S	Bend	trans	156.4	-167.4	175.6	0	0	0	0	0	113.9	Y112 L176 T194 L195	Y112-G178 VanDerWaalsContact OH-CA 3.3Å; Y112-G178 WeakPolarHBondContact OH-CA 3.27Å; L176-G178 VanDerWaalsContact C-N 3.34Å; G178-T194 WeakPolarHBondContact O-CA 3.31Å; G178-L195 PolarHBondContact O-N 2.82Å
179	G	94.4	Very high	92.9	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	90.3	-161.8	-174.7	0	0	0	0	0	112.6	Y112	Y112-G179 PolarHBondContact OH-N 3.37Å
180	I	95.5	Very high	93.1	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	159.7	-165.8	61.1	-179.4	0	0	0	111.8	L116 L119 I120 I134 K135 C136 L182 N193 T194	L116-I180 HydrophobicContact CD1-CG2 3.63Å; L119-I180 HydrophobicContact CB-CD1 4.34Å; L119-I180 HydrophobicContact CB-CG1 4.49Å; I120-I180 HydrophobicContact CB-CD1 3.94Å; I120-I180 HydrophobicContact CG1-CD1 3.35Å; I134-I180 HydrophobicContact CG2-CB 4.07Å; I134-I180 HydrophobicContact CG2-CG2 4.04Å; K135-I180 WeakPolarHBondContact O-CA 3.35Å; C136-I180 HydrophobicContact CB-CG2 4.2Å; I180-L182 HydrophobicContact CD1-CD1 3.64Å; I180-L182 HydrophobicContact CD1-CG 4.15Å; I180-L182 HydrophobicContact CG1-CD1 3.87Å; I180-N193 HydrophobicContact CG1-CB 4.28Å; I180-N193 PolarHBondContact N-O 2.91Å; I180-N193 CarbonylContact O-C 3.59Å; I180-N193 WeakPolarHBondContact O-CA 3.4Å; I180-N193 PolarHBondContact O-N 3.44Å; I180-T194 PolarHBondContact O-N 2.89Å
181	E	96.8	Very high	93.3	Very high	32 Å²	32	55.8 Å²	55.8	15%	0.15	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	130.9	162.8	-62.6	-177.9	168	0	0	108.8	I134 K135 L172 Y183 V191 V192 T194	I134-E181 CarbonylContact C-O 3.59Å; I134-E181 WeakPolarHBondContact CA-O 3.47Å; K135-E181 HydrophobicContact CB-CB 4.35Å; K135-E181 PolarHBondContact N-O 3.39Å; K135-E181 PolarHBondContact O-N 2.96Å; L172-E181 HydrophobicContact CD1-CG 4.21Å; L172-E181 HydrophobicContact CD2-CB 4.32Å; L172-E181 VanDerWaalsContact CD2-CD 3.41Å; L172-E181 HydrophobicContact CD2-CG 3.75Å; E181-Y183 HydrophobicContact CB-CD2 4.42Å; E181-Y183 HydrophobicContact CB-CE2 3.61Å; E181-Y183 PolarHBondContact OE2-OH 2.99Å; E181-V191 WeakPolarHBondContact CA-O 3.26Å; E181-V192 HydrophobicContact CG-CG1 4.21Å; E181-V192 HydrophobicContact CG-CG2 4.34Å; E181-T194 HydrophobicContact CG-CG2 4.15Å
182	L	96.5	Very high	93.4	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	140	176	-53.3	91	0	0	0	109.2	L124 L127 V132 I133 I134 I180 K190 V191	L124-L182 HydrophobicContact CD2-CD2 3.99Å; L124-L182 HydrophobicContact CG-CD2 4.16Å; L127-L182 HydrophobicContact CD1-CB 3.45Å; L127-L182 VanDerWaalsContact CD1-CB 3.45Å; L127-L182 HydrophobicContact CD1-CD2 4.47Å; V132-L182 HydrophobicContact CG1-CB 3.9Å; V132-L182 HydrophobicContact CG1-CD2 3.9Å; V132-L182 HydrophobicContact CG1-CG 4.43Å; I133-L182 CarbonylContact O-C 3.53Å; I133-L182 WeakPolarHBondContact O-CA 3.11Å; I134-L182 HydrophobicContact CD1-CD2 4.08Å; I134-L182 HydrophobicContact CD1-CG 4.45Å; I134-L182 HydrophobicContact CG1-CD2 4.13Å; I134-L182 HydrophobicContact CG1-CG 4.14Å; I180-L182 HydrophobicContact CD1-CD1 3.64Å; I180-L182 HydrophobicContact CD1-CG 4.15Å; I180-L182 HydrophobicContact CG1-CD1 3.87Å; L182-K190 CarbonylContact O-C 3.58Å; L182-K190 WeakPolarHBondContact O-CA 3.26Å; L182-V191 HydrophobicContact CB-CB 4.5Å; L182-V191 HydrophobicContact CD1-CB 4.37Å; L182-V191 HydrophobicContact CD1-CG1 4.36Å; L182-V191 PolarHBondContact N-O 3.47Å; L182-V191 PolarHBondContact O-N 2.76Å
183	Y	96.4	Very high	93.5	Very high	36 Å²	36	54.4 Å²	54.4	14%	0.141	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	144.9	179.1	-66.4	-99.1	0	0	0	108.9	V132 I133 K135 E181 I189 K190	V132-Y183 CarbonylContact C-O 3.54Å; V132-Y183 WeakPolarHBondContact CA-O 3.47Å; I133-Y183 PolarHBondContact N-O 3.16Å; I133-Y183 PolarHBondContact O-N 3.48Å; K135-Y183 HydrophobicContact CB-CE2 4.29Å; K135-Y183 HydrophobicContact CD-CD2 4.23Å; K135-Y183 HydrophobicContact CD-CE2 3.56Å; K135-Y183 HydrophobicContact CG-CD2 4.14Å; K135-Y183 HydrophobicContact CG-CE2 3.83Å; E181-Y183 HydrophobicContact CB-CD2 4.42Å; E181-Y183 HydrophobicContact CB-CE2 3.61Å; E181-Y183 PolarHBondContact OE2-OH 2.99Å; Y183-I189 WeakPolarHBondContact CA-O 3.44Å; Y183-K190 HydrophobicContact CD1-CB 3.69Å; Y183-K190 HydrophobicContact CE1-CB 3.64Å; Y183-K190 HydrophobicContact CE1-CD 3.97Å; Y183-K190 HydrophobicContact CE1-CG 4.45Å; Y183-K190 HydrophobicContact CG-CB 4.33Å
184	N	94.2	Very high	93.6	Very high	7 Å²	7	51 Å²	51	4%	0.037	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	166.5	164.7	74.5	-14.8	0	0	0	110.7	E129 D186 G187 R188 I189	E129-N184 HydrophobicContact CG-CB 3.91Å; N184-D186 PolarHBondContact O-N 3.02Å; N184-D186 VanDerWaalsContact O-N 3.13Å; N184-G187 PolarHBondContact O-N 3.34Å; N184-G187 WeakPolarHBondContact OD1-CA 3.41Å; N184-G187 PolarHBondContact OD1-N 3.05Å; N184-R188 PolarHBondContact OD1-N 3.25Å; N184-I189 HydrophobicContact CB-CB 4.35Å; N184-I189 PolarHBondContact N-O 3.48Å; N184-I189 PolarHBondContact OD1-N 3.38Å
185	K	91.1	Very high	93.8	Very high	122 Å²	122	47 Å²	47	53%	0.53	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.1	-38.6	179.3	-173.2	-179.2	-171.2	156.3	0	113.9	E131 G187	E131-K185 HydrophobicContact CB-CB 4.09Å; E131-K185 HydrophobicContact CB-CD 4.33Å; E131-K185 HydrophobicContact CB-CG 4.47Å; E131-K185 PolarHBondContact O-N 3.14Å; E131-K185 IonicContact OE1-NZ 2.8Å; E131-K185 PolarHBondContact OE1-NZ 2.89Å; E131-K185 WeakPolarHBondContact OE2-CD 3.49Å; E131-K185 WeakPolarHBondContact OE2-CE 3.29Å; E131-K185 IonicContact OE2-NZ 3.01Å; E131-K185 PolarHBondContact OE2-NZ 2.94Å; K185-G187 VanDerWaalsContact C-N 3.3Å; K185-G187 PolarHBondContact O-N 3.3Å
186	D	89.6	Confident	93.9	Very high	110 Å²	110	43.8 Å²	43.8	59%	0.588	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-8.2	-178.5	-64	-20.6	0	0	0	113.4	N184 R188	N184-D186 PolarHBondContact O-N 3.02Å; N184-D186 VanDerWaalsContact O-N 3.13Å; D186-R188 HydrophobicContact CB-CB 4.42Å; D186-R188 HydrophobicContact CB-CG 3.83Å; D186-R188 PolarHBondContact O-N 3.48Å
187	G	89.6	Confident	94.1	Very high	47 Å²	47	43.5 Å²	43.5	49%	0.485	22%	0.215	S	C	.	.	S	Bend	trans	66.2	13	-173.4	0	0	0	0	0	114.8	N184 K185	N184-G187 PolarHBondContact O-N 3.34Å; N184-G187 WeakPolarHBondContact OD1-CA 3.41Å; N184-G187 PolarHBondContact OD1-N 3.05Å; K185-G187 VanDerWaalsContact C-N 3.3Å; K185-G187 PolarHBondContact O-N 3.3Å
188	R	92	Very high	94.3	Very high	207 Å²	207	46.7 Å²	46.7	78%	0.781	23%	0.227	S	C	*	.			trans	-83.4	-38.6	-177.3	-65.8	179.1	-175.2	-169.5	4	112.9	N184 D186	N184-R188 PolarHBondContact OD1-N 3.25Å; D186-R188 HydrophobicContact CB-CB 4.42Å; D186-R188 HydrophobicContact CB-CG 3.83Å; D186-R188 PolarHBondContact O-N 3.48Å
189	I	94.9	Very high	94.4	Very high	87 Å²	87	48 Å²	48	45%	0.446	23%	0.234	S	C	.	.	S	Bend	trans	-107.1	127.5	178.6	-53.9	176.6	0	0	0	107.1	L127 Y183 N184	L127-I189 HydrophobicContact CD2-CB 4.15Å; L127-I189 HydrophobicContact CD2-CG2 3.51Å; Y183-I189 WeakPolarHBondContact CA-O 3.44Å; N184-I189 HydrophobicContact CB-CB 4.35Å; N184-I189 PolarHBondContact N-O 3.48Å; N184-I189 PolarHBondContact OD1-N 3.38Å
190	K	95.1	Very high	94.4	Very high	125 Å²	125	51.1 Å²	51.1	54%	0.543	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	142.2	175.5	71.4	177.5	-175.1	173.3	0	111.2	L182 Y183 V192	L182-K190 CarbonylContact O-C 3.58Å; L182-K190 WeakPolarHBondContact O-CA 3.26Å; Y183-K190 HydrophobicContact CD1-CB 3.69Å; Y183-K190 HydrophobicContact CE1-CB 3.64Å; Y183-K190 HydrophobicContact CE1-CD 3.97Å; Y183-K190 HydrophobicContact CE1-CG 4.45Å; Y183-K190 HydrophobicContact CG-CB 4.33Å; K190-V192 HydrophobicContact CD-CG2 4.32Å
191	V	96	Very high	94.3	Very high	11 Å²	11	55.8 Å²	55.8	7%	0.067	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	111.4	171.2	174.9	0	0	0	0	107.7	Q126 L127 E181 L182 N193	Q126-V191 HydrophobicContact CB-CG2 4.18Å; Q126-V191 HydrophobicContact CG-CG2 3.97Å; Q126-V191 VanDerWaalsContact OE1-CG1 3.27Å; L127-V191 HydrophobicContact CD1-CG2 4.49Å; L127-V191 HydrophobicContact CD2-CG2 3.72Å; L127-V191 HydrophobicContact CG-CB 4.42Å; L127-V191 HydrophobicContact CG-CG2 3.69Å; E181-V191 WeakPolarHBondContact CA-O 3.26Å; L182-V191 HydrophobicContact CB-CB 4.5Å; L182-V191 HydrophobicContact CD1-CB 4.37Å; L182-V191 HydrophobicContact CD1-CG1 4.36Å; L182-V191 PolarHBondContact N-O 3.47Å; L182-V191 PolarHBondContact O-N 2.76Å; V191-N193 PolarHBondContact O-N 3.05Å
192	V	96.2	Very high	94.3	Very high	44 Å²	44	58.3 Å²	58.3	27%	0.267	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	101.2	178.3	-178.1	0	0	0	0	107.9	E181 K190 T194	E181-V192 HydrophobicContact CG-CG1 4.21Å; E181-V192 HydrophobicContact CG-CG2 4.34Å; K190-V192 HydrophobicContact CD-CG2 4.32Å; V192-T194 HydrophobicContact CG1-CG2 4.19Å
193	N	95.7	Very high	94.1	Very high	5 Å²	5	59 Å²	59	3%	0.027	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	46.2	179.4	-149.2	8.6	0	0	0	111	L119 E122 I180 V191 R198	L119-N193 WeakPolarHBondContact CA-ND2 3.49Å; L119-N193 WeakPolarHBondContact CD2-OD1 3.44Å; L119-N193 PolarHBondContact O-ND2 3.03Å; E122-N193 PolarHBondContact OE2-ND2 2.72Å; I180-N193 HydrophobicContact CG1-CB 4.28Å; I180-N193 PolarHBondContact N-O 2.91Å; I180-N193 CarbonylContact O-C 3.59Å; I180-N193 WeakPolarHBondContact O-CA 3.4Å; I180-N193 PolarHBondContact O-N 3.44Å; V191-N193 PolarHBondContact O-N 3.05Å; N193-R198 VanDerWaalsContact OD1-CD 3.28Å; N193-R198 WeakPolarHBondContact OD1-CD 3.28Å; N193-R198 WeakPolarHBondContact OD1-CG 3.35Å; N193-R198 PolarHBondContact OD1-NH1 2.67Å
194	T	96.1	Very high	94	Very high	6 Å²	6	64.3 Å²	64.3	4%	0.037	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	154.1	172.5	62	0	0	0	0	110.5	L172 L176 G178 I180 E181 V192 E196 S197 R198	L172-T194 HydrophobicContact CD1-CG2 4.03Å; L176-T194 HydrophobicContact CD1-CG2 4.18Å; G178-T194 WeakPolarHBondContact O-CA 3.31Å; I180-T194 PolarHBondContact O-N 2.89Å; E181-T194 HydrophobicContact CG-CG2 4.15Å; V192-T194 HydrophobicContact CG1-CG2 4.19Å; T194-E196 VanDerWaalsContact C-N 3.26Å; T194-E196 PolarHBondContact O-N 3.35Å; T194-S197 PolarHBondContact O-N 2.89Å; T194-S197 VanDerWaalsContact OG1-CB 3.31Å; T194-S197 WeakPolarHBondContact OG1-CB 3.22Å; T194-S197 PolarHBondContact OG1-N 3.47Å; T194-R198 WeakPolarHBondContact O-CG 3.21Å; T194-R198 PolarHBondContact O-N 2.9Å
195	L	94.9	Very high	94	Very high	17 Å²	17	71 Å²	71	9%	0.089	35%	0.348	C	S	.	.	H	α-helix	trans	-61.4	-36.9	179.9	-68.7	177.8	0	0	0	112	L102 T106 Y112 L119 A177 G178 L199	L102-L195 HydrophobicContact CD1-CB 4.42Å; T106-L195 HydrophobicContact CG2-CD1 3.31Å; Y112-L195 HydrophobicContact CE2-CD1 4.26Å; L119-L195 HydrophobicContact CD1-CD2 4.21Å; A177-L195 HydrophobicContact CB-CB 4.45Å; A177-L195 HydrophobicContact CB-CD1 4.36Å; G178-L195 PolarHBondContact O-N 2.82Å; L195-L199 WeakPolarHBondContact O-CB 3.33Å; L195-L199 PolarHBondContact O-N 3.14Å
196	E	93.1	Very high	94.1	Very high	29 Å²	29	68.3 Å²	68.3	14%	0.136	34%	0.339	C	S	.	.	H	α-helix	trans	-60.4	-51.3	172.5	-76.1	72.7	-166.6	0	0	112.3	L176 A177 T194 R198 L199 D200	L176-E196 HydrophobicContact CD2-CB 4.34Å; L176-E196 HydrophobicContact CD2-CG 3.95Å; A177-E196 WeakPolarHBondContact CA-OE1 3.45Å; A177-E196 WeakPolarHBondContact CB-OE1 3.34Å; A177-E196 PolarHBondContact N-OE1 2.88Å; A177-E196 PolarHBondContact N-OE2 3.24Å; T194-E196 VanDerWaalsContact C-N 3.26Å; T194-E196 PolarHBondContact O-N 3.35Å; E196-R198 VanDerWaalsContact C-N 3.26Å; E196-R198 PolarHBondContact O-N 2.96Å; E196-L199 WeakPolarHBondContact O-CB 3.42Å; E196-L199 PolarHBondContact O-N 3.48Å; E196-L199 VanDerWaalsContact O-N 3.13Å; E196-D200 PolarHBondContact O-N 2.91Å
197	S	94.8	Very high	94.3	Very high	26 Å²	26	64.7 Å²	64.7	18%	0.182	32%	0.319	C	S	.	.	H	α-helix	trans	-61.3	-39.5	-178.5	-175.6	0	0	0	0	111	T194 D200 Q201	T194-S197 PolarHBondContact O-N 2.89Å; T194-S197 VanDerWaalsContact OG1-CB 3.31Å; T194-S197 WeakPolarHBondContact OG1-CB 3.22Å; T194-S197 PolarHBondContact OG1-N 3.47Å; S197-D200 PolarHBondContact O-N 3.16Å; S197-Q201 WeakPolarHBondContact O-CB 3.31Å; S197-Q201 VanDerWaalsContact O-CG 3.25Å; S197-Q201 WeakPolarHBondContact O-CG 3.5Å; S197-Q201 PolarHBondContact O-N 2.95Å
198	R	95.1	Very high	94.4	Very high	69 Å²	69	66.5 Å²	66.5	26%	0.26	32%	0.322	S	S	.	.	H	α-helix	trans	-65.1	-43.8	174.9	-67.7	-165.9	78.6	80.1	-5.6	112.2	L119 E122 N193 T194 E196 D200 Q201 I202	L119-R198 VanDerWaalsContact CD2-CD 3.43Å; E122-R198 IonicContact OE1-CZ 3.54Å; E122-R198 IonicContact OE1-NH1 3.79Å; E122-R198 PolarHBondContact OE1-NH1 3.36Å; E122-R198 IonicContact OE1-NH2 3Å; E122-R198 PolarHBondContact OE1-NH2 3.4Å; E122-R198 VanDerWaalsContact OE1-NH2 3.14Å; E122-R198 IonicContact OE2-CZ 2.66Å; E122-R198 IonicContact OE2-NH1 3.4Å; E122-R198 PolarHBondContact OE2-NH1 2.94Å; E122-R198 IonicContact OE2-NH2 2.68Å; N193-R198 VanDerWaalsContact OD1-CD 3.28Å; N193-R198 WeakPolarHBondContact OD1-CD 3.28Å; N193-R198 WeakPolarHBondContact OD1-CG 3.35Å; N193-R198 PolarHBondContact OD1-NH1 2.67Å; T194-R198 WeakPolarHBondContact O-CG 3.21Å; T194-R198 PolarHBondContact O-N 2.9Å; E196-R198 VanDerWaalsContact C-N 3.26Å; E196-R198 PolarHBondContact O-N 2.96Å; R198-D200 VanDerWaalsContact C-N 3.32Å; R198-D200 PolarHBondContact O-N 2.83Å; R198-Q201 PolarHBondContact O-N 2.93Å; R198-I202 WeakPolarHBondContact O-CB 3.26Å; R198-I202 WeakPolarHBondContact O-CD1 3.32Å; R198-I202 WeakPolarHBondContact O-CG1 3.25Å; R198-I202 PolarHBondContact O-N 2.91Å
199	L	94.8	Very high	94.5	Very high	29 Å²	29	62.1 Å²	62.1	15%	0.152	31%	0.31	C	S	.	.	H	α-helix	trans	-60.3	-45.5	177	-179.2	67.8	0	0	0	110.8	A98 R99 L102 L195 E196 I202 S203	A98-L199 HydrophobicContact CB-CD1 4Å; A98-L199 HydrophobicContact CB-CD2 3.98Å; R99-L199 HydrophobicContact CB-CD2 4.31Å; R99-L199 HydrophobicContact CG-CD2 3.32Å; L102-L199 HydrophobicContact CD1-CB 3.91Å; L102-L199 HydrophobicContact CD1-CD1 4.32Å; L102-L199 HydrophobicContact CD1-CD2 4Å; L102-L199 HydrophobicContact CD1-CG 4.3Å; L195-L199 WeakPolarHBondContact O-CB 3.33Å; L195-L199 PolarHBondContact O-N 3.14Å; E196-L199 WeakPolarHBondContact O-CB 3.42Å; E196-L199 PolarHBondContact O-N 3.48Å; E196-L199 VanDerWaalsContact O-N 3.13Å; L199-I202 PolarHBondContact O-N 3.48Å; L199-S203 WeakPolarHBondContact O-CB 3.37Å; L199-S203 PolarHBondContact O-N 2.96Å; L199-S203 PolarHBondContact O-OG 2.94Å
200	D	94.2	Very high	94.3	Very high	64 Å²	64	59.8 Å²	59.8	34%	0.342	30%	0.299	S	S	.	.	H	α-helix	trans	-63.6	-47	-179.1	-68.4	-15.7	0	0	0	110.6	R99 E196 S197 R198 I202 S203 E204	R99-D200 IonicContact CZ-OD1 3.36Å; R99-D200 IonicContact NE-OD1 3.55Å; R99-D200 IonicContact NH2-OD1 2.76Å; R99-D200 PolarHBondContact NH2-OD1 3.28Å; R99-D200 IonicContact NH2-OD2 2.65Å; E196-D200 PolarHBondContact O-N 2.91Å; S197-D200 PolarHBondContact O-N 3.16Å; R198-D200 VanDerWaalsContact C-N 3.32Å; R198-D200 PolarHBondContact O-N 2.83Å; D200-I202 PolarHBondContact O-N 3.04Å; D200-S203 WeakPolarHBondContact CA-OG 3.44Å; D200-S203 PolarHBondContact O-N 2.92Å; D200-S203 PolarHBondContact O-OG 3.37Å; D200-E204 PolarHBondContact O-N 3.35Å
201	Q	94.3	Very high	94.2	Very high	98 Å²	98	61 Å²	61	46%	0.458	30%	0.3	S	S	.	.	H	α-helix	trans	-59.9	-46.5	176.1	-73.5	173.1	0.9	0	0	112.8	S197 R198 S203 E204 H205	S197-Q201 WeakPolarHBondContact O-CB 3.31Å; S197-Q201 VanDerWaalsContact O-CG 3.25Å; S197-Q201 WeakPolarHBondContact O-CG 3.5Å; S197-Q201 PolarHBondContact O-N 2.95Å; R198-Q201 PolarHBondContact O-N 2.93Å; Q201-S203 VanDerWaalsContact C-N 3.32Å; Q201-E204 PolarHBondContact O-N 3.22Å; Q201-H205 PolarHBondContact O-N 3.3Å; Q201-H205 PolarHBondContact O-ND1 2.95Å
202	I	94.8	Very high	94.1	Very high	86 Å²	86	63.5 Å²	63.5	44%	0.441	31%	0.311	S	S	.	.	H	α-helix	trans	-64.8	-41.1	177.9	-69.5	168	0	0	0	109.9	R198 L199 D200 E204 H205 L206	R198-I202 WeakPolarHBondContact O-CB 3.26Å; R198-I202 WeakPolarHBondContact O-CD1 3.32Å; R198-I202 WeakPolarHBondContact O-CG1 3.25Å; R198-I202 PolarHBondContact O-N 2.91Å; L199-I202 PolarHBondContact O-N 3.48Å; D200-I202 PolarHBondContact O-N 3.04Å; I202-E204 VanDerWaalsContact C-N 3.33Å; I202-E204 PolarHBondContact O-N 2.83Å; I202-H205 PolarHBondContact O-N 3.4Å; I202-L206 HydrophobicContact CG2-CD1 3.48Å; I202-L206 VanDerWaalsContact CG2-CD1 3.48Å; I202-L206 HydrophobicContact CG2-CG 4.03Å; I202-L206 WeakPolarHBondContact O-CB 3.24Å; I202-L206 WeakPolarHBondContact O-CG 3.41Å; I202-L206 PolarHBondContact O-N 2.86Å
203	S	93.9	Very high	93.9	Very high	15 Å²	15	67.8 Å²	67.8	11%	0.105	33%	0.331	C	S	.	.	H	α-helix	trans	-61.6	-42.2	-179.5	76.1	0	0	0	0	111.6	L199 D200 Q201 H205 L206 M207	L199-S203 WeakPolarHBondContact O-CB 3.37Å; L199-S203 PolarHBondContact O-N 2.96Å; L199-S203 PolarHBondContact O-OG 2.94Å; D200-S203 WeakPolarHBondContact CA-OG 3.44Å; D200-S203 PolarHBondContact O-N 2.92Å; D200-S203 PolarHBondContact O-OG 3.37Å; Q201-S203 VanDerWaalsContact C-N 3.32Å; S203-H205 PolarHBondContact O-N 2.93Å; S203-L206 CarbonylContact O-C 3.6Å; S203-L206 PolarHBondContact O-N 3.36Å; S203-M207 WeakPolarHBondContact O-CA 3.5Å; S203-M207 VanDerWaalsContact O-CE 3.23Å; S203-M207 WeakPolarHBondContact O-CE 3.37Å; S203-M207 WeakPolarHBondContact O-CG 3.34Å; S203-M207 PolarHBondContact O-N 2.91Å
204	E	93.6	Very high	93.8	Very high	146 Å²	146	71.2 Å²	71.2	68%	0.682	35%	0.349	S	S	*	.	H	α-helix	trans	-61.4	-44.7	178.2	-171.7	176.6	-179	0	0	111.6	D200 Q201 I202 M207	D200-E204 PolarHBondContact O-N 3.35Å; Q201-E204 PolarHBondContact O-N 3.22Å; I202-E204 VanDerWaalsContact C-N 3.33Å; I202-E204 PolarHBondContact O-N 2.83Å; E204-M207 WeakPolarHBondContact O-CB 3.5Å; E204-M207 PolarHBondContact O-N 3.13Å
205	H	93.7	Very high	93.7	Very high	148 Å²	148	74.4 Å²	74.4	69%	0.685	36%	0.362	S	S	*	.	H	α-helix	trans	-68.8	-37.1	178	-72.3	77.6	0	0	0	112.5	Q201 I202 S203 P208	Q201-H205 PolarHBondContact O-N 3.3Å; Q201-H205 PolarHBondContact O-ND1 2.95Å; I202-H205 PolarHBondContact O-N 3.4Å; S203-H205 PolarHBondContact O-N 2.93Å; H205-P208 WeakPolarHBondContact O-CD 3.29Å
206	L	94.4	Very high	93.6	Very high	66 Å²	66	75.7 Å²	75.7	35%	0.346	38%	0.38	S	S	.	.	H	α-helix	trans	-86.8	-5	-179.6	-64.3	-177.1	0	0	0	113.4	I202 S203 P208 Q209 L210	I202-L206 HydrophobicContact CG2-CD1 3.48Å; I202-L206 VanDerWaalsContact CG2-CD1 3.48Å; I202-L206 HydrophobicContact CG2-CG 4.03Å; I202-L206 WeakPolarHBondContact O-CB 3.24Å; I202-L206 WeakPolarHBondContact O-CG 3.41Å; I202-L206 PolarHBondContact O-N 2.86Å; S203-L206 CarbonylContact O-C 3.6Å; S203-L206 PolarHBondContact O-N 3.36Å; L206-P208 VanDerWaalsContact C-CD 3.46Å; L206-P208 VanDerWaalsContact C-N 3.34Å; L206-Q209 WeakPolarHBondContact O-CA 3.34Å; L206-Q209 WeakPolarHBondContact O-CB 3.41Å; L206-Q209 PolarHBondContact O-N 3.26Å; L206-L210 HydrophobicContact CB-CD1 4.14Å; L206-L210 HydrophobicContact CB-CG 4.44Å; L206-L210 PolarHBondContact O-N 2.98Å
207	M	93	Very high	93.5	Very high	33 Å²	33	78 Å²	78	16%	0.163	40%	0.396	C	S	.	.	H	α-helix	trans	-50.4	-44.6	-179.5	-91.8	-50	94.6	0	0	114.2	I91 S203 E204 Q209 L210 R211	I91-M207 HydrophobicContact CD1-SD 4.27Å; I91-M207 HydrophobicContact CG2-CE 4.01Å; I91-M207 HydrophobicContact CG2-SD 3.81Å; S203-M207 WeakPolarHBondContact O-CA 3.5Å; S203-M207 VanDerWaalsContact O-CE 3.23Å; S203-M207 WeakPolarHBondContact O-CE 3.37Å; S203-M207 WeakPolarHBondContact O-CG 3.34Å; S203-M207 PolarHBondContact O-N 2.91Å; E204-M207 WeakPolarHBondContact O-CB 3.5Å; E204-M207 PolarHBondContact O-N 3.13Å; M207-Q209 VanDerWaalsContact C-N 3.31Å; M207-Q209 PolarHBondContact O-N 3.47Å; M207-L210 HydrophobicContact CE-CB 4.06Å; M207-L210 HydrophobicContact CE-CD1 3.28Å; M207-L210 HydrophobicContact CE-CG 4.27Å; M207-L210 PolarHBondContact O-N 3.39Å; M207-R211 WeakPolarHBondContact O-CB 3.26Å; M207-R211 VanDerWaalsContact O-CG 3.27Å; M207-R211 WeakPolarHBondContact O-CG 3.47Å; M207-R211 PolarHBondContact O-N 3.24Å
208	P	92.6	Very high	93.4	Very high	86 Å²	86	82.1 Å²	82.1	56%	0.558	42%	0.416	S	S	*	.	H	α-helix	trans	-59.7	-41.5	176.4	-24.9	35.7	0	0	0	112.9	H205 L206 E212	H205-P208 WeakPolarHBondContact O-CD 3.29Å; L206-P208 VanDerWaalsContact C-CD 3.46Å; L206-P208 VanDerWaalsContact C-N 3.34Å; P208-E212 PolarHBondContact O-N 3.04Å
209	Q	92.6	Very high	93.2	Very high	114 Å²	114	88.1 Å²	88.1	53%	0.533	45%	0.447	S	S	.	.	H	α-helix	trans	-71.9	-43.1	179.4	-60	179.8	11.3	0	0	111.3	L206 M207 R211 E212 I213	L206-Q209 WeakPolarHBondContact O-CA 3.34Å; L206-Q209 WeakPolarHBondContact O-CB 3.41Å; L206-Q209 PolarHBondContact O-N 3.26Å; M207-Q209 VanDerWaalsContact C-N 3.31Å; M207-Q209 PolarHBondContact O-N 3.47Å; Q209-R211 VanDerWaalsContact C-N 3.28Å; Q209-R211 PolarHBondContact O-N 3.4Å; Q209-E212 PolarHBondContact O-N 3.47Å; Q209-E212 VanDerWaalsContact O-N 3.13Å; Q209-I213 WeakPolarHBondContact O-CG1 3.36Å; Q209-I213 PolarHBondContact O-N 3.23Å
210	L	92.6	Very high	93.1	Very high	38 Å²	38	89.5 Å²	89.5	20%	0.199	47%	0.468	C	S	.	.	H	α-helix	trans	-60.4	-39.2	176.8	-78.1	167.5	0	0	0	111.4	L206 M207 I213 L214	L206-L210 HydrophobicContact CB-CD1 4.14Å; L206-L210 HydrophobicContact CB-CG 4.44Å; L206-L210 PolarHBondContact O-N 2.98Å; M207-L210 HydrophobicContact CE-CB 4.06Å; M207-L210 HydrophobicContact CE-CD1 3.28Å; M207-L210 HydrophobicContact CE-CG 4.27Å; M207-L210 PolarHBondContact O-N 3.39Å; L210-I213 PolarHBondContact O-N 3.44Å; L210-L214 WeakPolarHBondContact O-CB 3.35Å; L210-L214 VanDerWaalsContact O-CG 3.25Å; L210-L214 WeakPolarHBondContact O-CG 3.44Å; L210-L214 PolarHBondContact O-N 3.39Å
211	R	92.5	Very high	92.8	Very high	150 Å²	150	92.9 Å²	92.9	57%	0.566	48%	0.476	S	S	*	.	H	α-helix	trans	-64.7	-41.5	174	-73.7	174.2	-179.8	-171.7	1	112.5	I91 M207 Q209 F215	I91-R211 HydrophobicContact CD1-CG 4.22Å; M207-R211 WeakPolarHBondContact O-CB 3.26Å; M207-R211 VanDerWaalsContact O-CG 3.27Å; M207-R211 WeakPolarHBondContact O-CG 3.47Å; M207-R211 PolarHBondContact O-N 3.24Å; Q209-R211 VanDerWaalsContact C-N 3.28Å; Q209-R211 PolarHBondContact O-N 3.4Å; R211-F215 WeakPolarHBondContact O-CB 3.47Å; R211-F215 PolarHBondContact O-N 3.49Å
212	E	92.9	Very high	92.5	Very high	65 Å²	65	97 Å²	97	30%	0.304	49%	0.492	S	S	.	.	H	α-helix	trans	-64.5	-41.3	177.2	-172.7	171.1	167.2	0	0	111.6	P208 Q209 G216 V217 R224	P208-E212 PolarHBondContact O-N 3.04Å; Q209-E212 PolarHBondContact O-N 3.47Å; Q209-E212 VanDerWaalsContact O-N 3.13Å; E212-G216 CarbonylContact O-C 3.34Å; E212-G216 WeakPolarHBondContact O-CA 3.44Å; E212-G216 PolarHBondContact O-N 2.87Å; E212-V217 HydrophobicContact CG-CB 4.45Å; E212-V217 HydrophobicContact CG-CG2 3.77Å; E212-V217 WeakPolarHBondContact OE1-CG2 3.44Å; E212-R224 IonicContact OE1-CZ 3.3Å; E212-R224 IonicContact OE1-NH1 2.78Å; E212-R224 PolarHBondContact OE1-NH1 2.9Å; E212-R224 IonicContact OE1-NH2 2.88Å; E212-R224 PolarHBondContact OE1-NH2 3.5Å; E212-R224 IonicContact OE2-NH1 3.51Å
213	I	93.1	Very high	92.2	Very high	134 Å²	134	101 Å²	101	69%	0.687	51%	0.507	S	S	*	.	H	α-helix	trans	-68.2	-45.4	178.3	-66.6	165.5	0	0	0	111.4	Q209 L210	Q209-I213 WeakPolarHBondContact O-CG1 3.36Å; Q209-I213 PolarHBondContact O-N 3.23Å; L210-I213 PolarHBondContact O-N 3.44Å
214	L	93	Very high	91.4	Very high	76 Å²	76	106.7 Å²	106.7	40%	0.398	53%	0.526	S	S	.	.	H	α-helix	trans	-79.7	-39	-174	-68.1	169.9	0	0	0	113.5	I91 L94 L210	I91-L214 HydrophobicContact CG1-CD1 4.33Å; L94-L214 HydrophobicContact CD1-CD1 3.99Å; L94-L214 HydrophobicContact CD1-CD2 4.11Å; L210-L214 WeakPolarHBondContact O-CB 3.35Å; L210-L214 VanDerWaalsContact O-CG 3.25Å; L210-L214 WeakPolarHBondContact O-CG 3.44Å; L210-L214 PolarHBondContact O-N 3.39Å
215	F	94	Very high	90	Very high	73 Å²	73	110.7 Å²	110.7	32%	0.32	55%	0.552	S	S	.	*	H	α-helix	trans	-117.3	1.8	-170.1	-53.1	-58.2	0	0	0	113.6	R87 H90 I91 R211	R87-F215 HydrophobicContact CB-CE1 4.2Å; R87-F215 HydrophobicContact CB-CE2 4.02Å; R87-F215 HydrophobicContact CB-CZ 3.74Å; R87-F215 HydrophobicContact CG-CD1 4.14Å; R87-F215 HydrophobicContact CG-CE1 3.8Å; R87-F215 HydrophobicContact CG-CE2 4.24Å; R87-F215 HydrophobicContact CG-CZ 3.86Å; R87-F215 WeakPolarHBondContact O-CZ 3.49Å; H90-F215 HydrophobicContact CB-CZ 4.28Å; I91-F215 HydrophobicContact CD1-CE2 4.12Å; I91-F215 HydrophobicContact CG1-CE2 4.16Å; I91-F215 HydrophobicContact CG1-CZ 4.47Å; R211-F215 WeakPolarHBondContact O-CB 3.47Å; R211-F215 PolarHBondContact O-N 3.49Å
216	G	93.1	Very high	89.8	Confident	44 Å²	44	108.8 Å²	108.8	45%	0.454	55%	0.545	S	S	.	.			trans	86	169.3	-179.5	0	0	0	0	0	114	E212	E212-G216 CarbonylContact O-C 3.34Å; E212-G216 WeakPolarHBondContact O-CA 3.44Å; E212-G216 PolarHBondContact O-N 2.87Å
217	V	91.4	Very high	89.6	Confident	78 Å²	78	111.1 Å²	111.1	47%	0.473	56%	0.556	S	S	.	*			trans	-72.3	140.6	178	-175	0	0	0	0	110.2	E212 E219	E212-V217 HydrophobicContact CG-CB 4.45Å; E212-V217 HydrophobicContact CG-CG2 3.77Å; E212-V217 WeakPolarHBondContact OE1-CG2 3.44Å; V217-E219 PolarHBondContact O-N 3.16Å; V217-E219 VanDerWaalsContact O-N 3.16Å
218	N	91.4	Very high	89.4	Confident	113 Å²	113	115.4 Å²	115.4	60%	0.604	58%	0.577	S	S	*	*			trans	-69.9	108.6	166.6	-177.2	-1.3	0	0	0	110.6	G220 R221	N218-G220 PolarHBondContact O-N 3.09Å; N218-G220 VanDerWaalsContact O-N 3.16Å; N218-G220 PolarHBondContact OD1-N 2.9Å; N218-R221 HydrophobicContact CB-CB 4.27Å; N218-R221 WeakPolarHBondContact O-CB 3.4Å; N218-R221 PolarHBondContact O-N 2.96Å
219	E	91.5	Very high	89.2	Confident	195 Å²	195	117.1 Å²	117.1	91%	0.911	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.9	-26.6	177.4	-62.2	-178.7	172.3	0	0	113.3	V217 R221	V217-E219 PolarHBondContact O-N 3.16Å; V217-E219 VanDerWaalsContact O-N 3.16Å; E219-R221 VanDerWaalsContact C-N 3.3Å; E219-R221 PolarHBondContact O-N 3.29Å
220	G	91.8	Very high	89	Confident	58 Å²	58	117.3 Å²	117.3	60%	0.598	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.1	-13.4	176.9	0	0	0	0	0	114.4	N218 K222	N218-G220 PolarHBondContact O-N 3.09Å; N218-G220 VanDerWaalsContact O-N 3.16Å; N218-G220 PolarHBondContact OD1-N 2.9Å; G220-K222 PolarHBondContact O-N 3.36Å
221	R	89.7	Confident	88.7	Confident	135 Å²	135	122.6 Å²	122.6	51%	0.509	61%	0.607	S	S	.	*			trans	-83.1	103	-179.1	-173.9	178.8	-177.7	179.4	3.4	110.3	N218 E219 F223	N218-R221 HydrophobicContact CB-CB 4.27Å; N218-R221 WeakPolarHBondContact O-CB 3.4Å; N218-R221 PolarHBondContact O-N 2.96Å; E219-R221 VanDerWaalsContact C-N 3.3Å; E219-R221 PolarHBondContact O-N 3.29Å; R221-F223 WeakPolarHBondContact CG-O 3.4Å; R221-F223 PolarHBondContact NE-O 2.83Å; R221-F223 VanDerWaalsContact NE-O 3.09Å
222	K	86.8	Confident	88.4	Confident	183 Å²	183	120.6 Å²	120.6	80%	0.796	61%	0.61	S	S	*	*			trans	-83.3	-27.7	-179.6	-64	-175.4	179.3	-178.1	0	114.9	G220	G220-K222 PolarHBondContact O-N 3.36Å
223	F	89.5	Confident	88.1	Confident	171 Å²	171	124.9 Å²	124.9	75%	0.75	63%	0.633	S	S	*	*			trans	-124.1	136.1	-176	-51.5	-78.3	0	0	0	110.5	R221	R221-F223 WeakPolarHBondContact CG-O 3.4Å; R221-F223 PolarHBondContact NE-O 2.83Å; R221-F223 VanDerWaalsContact NE-O 3.09Å
224	R	76.6	Confident	87.7	Confident	135 Å²	135	124.2 Å²	124.2	51%	0.509	63%	0.629	S	S	.	*			trans	-113.9	-6.2	-175.9	-72.6	-173.8	175.9	-139.1	-3.3	114.3	E212	E212-R224 IonicContact OE1-CZ 3.3Å; E212-R224 IonicContact OE1-NH1 2.78Å; E212-R224 PolarHBondContact OE1-NH1 2.9Å; E212-R224 IonicContact OE1-NH2 2.88Å; E212-R224 PolarHBondContact OE1-NH2 3.5Å; E212-R224 IonicContact OE2-NH1 3.51Å
225	N	63.5	Low	87.2	Confident	229 Å²	229	128.5 Å²	128.5	100%	1.225	65%	0.65	S	S	*	*			trans	-112.7	0	-176.5	-56.9	-11.5	0	0	0	110.2

Retrieved 225 of 225 residues in 47.4 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).