A0A5K4FE93_SCHMA Loading...

J domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FE93, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 360 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	47	Very low	81.7	Confident	191 Å²	191	107.5 Å²	107.5	94%	0.941	53%	0.528	S	S	*	.				0	104.2	0	-66.1	-48.9	-169.2	0	0	106.1
2	D	60.6	Low	82.6	Confident	159 Å²	159	101.6 Å²	101.6	85%	0.85	50%	0.5	S	S	*	.	P	Polyproline II helix	trans	-77.5	134.2	-175.4	-49.1	-45.1	0	0	0	108.3	I4	D2-I4 PolarHBondContact O-N 3.24Å
3	Q	73.5	Confident	83.4	Confident	173 Å²	173	94 Å²	94	81%	0.808	46%	0.464	S	S	*	.	P	Polyproline II helix	trans	-69.6	126.7	179.6	-67.8	176.9	14.3	0	0	108.6	N5	Q3-N5 PolarHBondContact O-N 3.26Å
4	I	83.5	Confident	84	Confident	33 Å²	33	101.1 Å²	101.1	17%	0.169	48%	0.483	C	S	.	.	P	Polyproline II helix	trans	-74.9	129.5	-176.8	-64.4	142	0	0	0	108.9	D2 E8 F9 T62 E66	D2-I4 PolarHBondContact O-N 3.24Å; I4-E8 HydrophobicContact CG2-CB 3.67Å; I4-F9 HydrophobicContact CG2-CB 4.19Å; I4-T62 HydrophobicContact CD1-CG2 3.41Å; I4-T62 VanDerWaalsContact CD1-CG2 3.41Å; I4-T62 HydrophobicContact CG1-CG2 3.87Å; I4-E66 HydrophobicContact CD1-CB 3.66Å; I4-E66 HydrophobicContact CD1-CG 3.88Å; I4-E66 PolarHBondContact N-OE1 3.47Å
5	N	89.4	Confident	84.6	Confident	97 Å²	97	98.7 Å²	98.7	52%	0.519	47%	0.473	S	S	.	.	P	Polyproline II helix	trans	-63.7	148	178.8	-68.8	-59.1	0	0	0	110.6	Q3 N7 E8 F9	Q3-N5 PolarHBondContact O-N 3.26Å; N5-N7 PolarHBondContact O-N 3.34Å; N5-N7 VanDerWaalsContact O-N 3.11Å; N5-E8 HydrophobicContact CB-CB 4.41Å; N5-E8 HydrophobicContact CB-CG 4.15Å; N5-E8 PolarHBondContact N-OE2 3.07Å; N5-E8 VanDerWaalsContact N-OE2 3.14Å; N5-E8 PolarHBondContact ND2-OE1 3.36Å; N5-E8 WeakPolarHBondContact O-CB 3.29Å; N5-E8 PolarHBondContact O-N 3.34Å; N5-F9 PolarHBondContact O-N 3.23Å
6	E	87.3	Confident	85.1	Confident	129 Å²	129	92.6 Å²	92.6	60%	0.603	44%	0.444	S	S	*	.	H	α-helix	trans	-58.8	-32.7	-177.6	-161.7	-167.7	143.5	0	0	112.5	K10	E6-K10 WeakPolarHBondContact O-CG 3.44Å; E6-K10 PolarHBondContact O-N 3.43Å; E6-K10 WeakPolarHBondContact OE1-CE 3.34Å; E6-K10 IonicContact OE1-NZ 2.68Å; E6-K10 PolarHBondContact OE1-NZ 2.85Å
7	N	90.8	Very high	85.5	Confident	116 Å²	116	94.2 Å²	94.2	62%	0.62	45%	0.451	S	S	*	.	H	α-helix	trans	-68.6	-41	174.9	-72.1	-20.1	0	0	0	112.7	N5 K10 Q11	N5-N7 PolarHBondContact O-N 3.34Å; N5-N7 VanDerWaalsContact O-N 3.11Å; N7-K10 PolarHBondContact O-N 3.35Å; N7-Q11 WeakPolarHBondContact O-CG 3.42Å; N7-Q11 PolarHBondContact O-N 3.01Å
8	E	91.2	Very high	85.8	Confident	81 Å²	81	90.7 Å²	90.7	38%	0.379	43%	0.434	S	S	.	.	H	α-helix	trans	-64.8	-44.8	174.7	-70.4	158.7	-157.7	0	0	110.3	I4 N5 K10 Q11 L12	I4-E8 HydrophobicContact CG2-CB 3.67Å; N5-E8 HydrophobicContact CB-CB 4.41Å; N5-E8 HydrophobicContact CB-CG 4.15Å; N5-E8 PolarHBondContact N-OE2 3.07Å; N5-E8 VanDerWaalsContact N-OE2 3.14Å; N5-E8 PolarHBondContact ND2-OE1 3.36Å; N5-E8 WeakPolarHBondContact O-CB 3.29Å; N5-E8 PolarHBondContact O-N 3.34Å; E8-K10 VanDerWaalsContact C-N 3.3Å; E8-K10 PolarHBondContact O-N 2.97Å; E8-Q11 WeakPolarHBondContact O-CA 3.21Å; E8-Q11 WeakPolarHBondContact O-CB 3.31Å; E8-Q11 PolarHBondContact O-N 2.9Å; E8-L12 WeakPolarHBondContact O-CG 3.15Å; E8-L12 PolarHBondContact O-N 2.88Å
9	F	91.2	Very high	86	Confident	10 Å²	10	93.6 Å²	93.6	4%	0.044	45%	0.447	C	S	.	.	H	α-helix	trans	-54.8	-46.1	174.9	-175.7	-89.8	0	0	0	111.4	I4 N5 Q11 L12 C13 L63 L67 R70	I4-F9 HydrophobicContact CG2-CB 4.19Å; N5-F9 PolarHBondContact O-N 3.23Å; F9-Q11 PolarHBondContact O-N 2.9Å; F9-L12 PolarHBondContact O-N 2.79Å; F9-C13 PolarHBondContact O-N 3.47Å; F9-L63 HydrophobicContact CD2-CD2 3.4Å; F9-L63 HydrophobicContact CE2-CD2 3.41Å; F9-L63 VanDerWaalsContact CE2-CD2 3.41Å; F9-L63 HydrophobicContact CG-CD2 4.17Å; F9-L63 HydrophobicContact CZ-CD2 4.19Å; F9-L67 HydrophobicContact CZ-CD2 4.47Å; F9-R70 VanDerWaalsContact CD2-NH2 3.3Å
10	K	91.6	Very high	86	Confident	70 Å²	70	93.1 Å²	93.1	30%	0.304	45%	0.45	S	S	.	.	H	α-helix	trans	-62.8	-38	174.7	-73	168.6	-174.5	168.5	0	112.8	E6 N7 E8 R14 T20	E6-K10 WeakPolarHBondContact O-CG 3.44Å; E6-K10 PolarHBondContact O-N 3.43Å; E6-K10 WeakPolarHBondContact OE1-CE 3.34Å; E6-K10 IonicContact OE1-NZ 2.68Å; E6-K10 PolarHBondContact OE1-NZ 2.85Å; N7-K10 PolarHBondContact O-N 3.35Å; E8-K10 VanDerWaalsContact C-N 3.3Å; E8-K10 PolarHBondContact O-N 2.97Å; K10-R14 VanDerWaalsContact O-CG 3.28Å; K10-R14 WeakPolarHBondContact O-CG 3.26Å; K10-R14 PolarHBondContact O-N 3.22Å; K10-T20 HydrophobicContact CG-CG2 3.92Å
11	Q	92.8	Very high	85.8	Confident	123 Å²	123	94.6 Å²	94.6	58%	0.575	46%	0.461	S	S	*	.	H	α-helix	trans	-66.7	-43.5	175.9	-73.1	171.1	-2.3	0	0	112.1	N7 E8 F9 R14 L15	N7-Q11 WeakPolarHBondContact O-CG 3.42Å; N7-Q11 PolarHBondContact O-N 3.01Å; E8-Q11 WeakPolarHBondContact O-CA 3.21Å; E8-Q11 WeakPolarHBondContact O-CB 3.31Å; E8-Q11 PolarHBondContact O-N 2.9Å; F9-Q11 PolarHBondContact O-N 2.9Å; Q11-R14 PolarHBondContact O-N 2.9Å; Q11-L15 PolarHBondContact O-N 3.28Å
12	L	92.6	Very high	87.4	Confident	37 Å²	37	86.6 Å²	86.6	19%	0.194	42%	0.423	C	S	.	.	H	α-helix	trans	-65.1	-41	177	-62.5	178.4	0	0	0	111.8	E8 F9 R14 L15 L16 A59 T62 L63	E8-L12 WeakPolarHBondContact O-CG 3.15Å; E8-L12 PolarHBondContact O-N 2.88Å; F9-L12 PolarHBondContact O-N 2.79Å; L12-R14 PolarHBondContact O-N 3.29Å; L12-L15 PolarHBondContact O-N 3.09Å; L12-L16 PolarHBondContact O-N 3.27Å; L12-L16 VanDerWaalsContact O-N 3.1Å; L12-A59 HydrophobicContact CB-CB 4.34Å; L12-A59 HydrophobicContact CD2-CB 3.79Å; L12-T62 HydrophobicContact CD1-CG2 3.53Å; L12-L63 HydrophobicContact CB-CD1 3.93Å; L12-L63 HydrophobicContact CB-CD2 3.95Å; L12-L63 HydrophobicContact CB-CG 3.88Å; L12-L63 HydrophobicContact CD1-CD2 4.2Å; L12-L63 HydrophobicContact CD1-CG 4.25Å
13	C	92.2	Very high	88.7	Confident	3 Å²	3	82.5 Å²	82.5	2%	0.02	40%	0.404	C	S	.	.	H	α-helix	trans	-59.6	-44.1	172.1	-77.5	0	0	0	0	112.3	F9 L15 L16 Q17 I18 Q19	F9-C13 PolarHBondContact O-N 3.47Å; C13-L15 VanDerWaalsContact C-N 3.33Å; C13-L15 PolarHBondContact O-N 2.82Å; C13-L16 CarbonylContact O-C 3.16Å; C13-L16 PolarHBondContact O-N 3.34Å; C13-Q17 PolarHBondContact O-N 3.13Å; C13-Q17 VanDerWaalsContact O-N 3.09Å; C13-I18 HydrophobicContact CB-CD1 4.4Å; C13-I18 HydrophobicContact CB-CG1 3.95Å; C13-I18 WeakPolarHBondContact O-CG1 3.43Å; C13-I18 PolarHBondContact O-N 3.24Å; C13-Q19 PolarHBondContact SG-O 3.26Å; C13-Q19 VanDerWaalsContact SG-O 3.38Å
14	R	93	Very high	89.4	Confident	194 Å²	194	75.9 Å²	75.9	73%	0.732	37%	0.373	S	S	*	.	H	α-helix	trans	-61.1	-40.7	175.4	-73.9	170.9	-177.8	-175	0.7	112.2	K10 Q11 L12 L16 Q17	K10-R14 VanDerWaalsContact O-CG 3.28Å; K10-R14 WeakPolarHBondContact O-CG 3.26Å; K10-R14 PolarHBondContact O-N 3.22Å; Q11-R14 PolarHBondContact O-N 2.9Å; L12-R14 PolarHBondContact O-N 3.29Å; R14-L16 VanDerWaalsContact C-N 3.31Å; R14-L16 PolarHBondContact O-N 3.21Å; R14-Q17 PolarHBondContact O-N 3.46Å
15	L	92.4	Very high	89.6	Confident	65 Å²	65	78.8 Å²	78.8	34%	0.34	39%	0.389	S	S	.	.	H	α-helix	trans	-62.7	-38.6	178.5	-166	150.7	0	0	0	112	Q11 L12 C13 Q17 L55 V56 A59	Q11-L15 PolarHBondContact O-N 3.28Å; L12-L15 PolarHBondContact O-N 3.09Å; C13-L15 VanDerWaalsContact C-N 3.33Å; C13-L15 PolarHBondContact O-N 2.82Å; L15-Q17 VanDerWaalsContact C-N 3.29Å; L15-Q17 PolarHBondContact O-N 3.02Å; L15-L55 HydrophobicContact CD1-CB 4.18Å; L15-L55 HydrophobicContact CD2-CB 4.41Å; L15-V56 HydrophobicContact CD2-CB 4.28Å; L15-V56 HydrophobicContact CD2-CG2 3.67Å; L15-A59 HydrophobicContact CD2-CB 4Å
16	L	92.5	Very high	89.7	Confident	1 Å²	1	77 Å²	77	1%	0.005	38%	0.38	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	1.9	174.3	-79.4	149	0	0	0	114.1	L12 C13 R14 I18 L27 L34 V56 A59 L63	L12-L16 PolarHBondContact O-N 3.27Å; L12-L16 VanDerWaalsContact O-N 3.1Å; C13-L16 CarbonylContact O-C 3.16Å; C13-L16 PolarHBondContact O-N 3.34Å; R14-L16 VanDerWaalsContact C-N 3.31Å; R14-L16 PolarHBondContact O-N 3.21Å; L16-I18 VanDerWaalsContact C-N 3.29Å; L16-I18 HydrophobicContact CB-CD1 3.96Å; L16-I18 HydrophobicContact CB-CG1 3.87Å; L16-I18 PolarHBondContact O-N 3.04Å; L16-L27 HydrophobicContact CD1-CD1 3.76Å; L16-L34 HydrophobicContact CD2-CD1 4.22Å; L16-V56 HydrophobicContact CD2-CG1 4.01Å; L16-A59 HydrophobicContact CD1-CB 3.73Å; L16-A59 HydrophobicContact CG-CB 4.28Å; L16-L63 HydrophobicContact CD1-CD1 3.61Å
17	Q	91.3	Very high	90	Very high	120 Å²	120	70.9 Å²	70.9	56%	0.561	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.8	40	-178.9	-53.8	176.3	8.6	0	0	113.3	C13 R14 L15	C13-Q17 PolarHBondContact O-N 3.13Å; C13-Q17 VanDerWaalsContact O-N 3.09Å; R14-Q17 PolarHBondContact O-N 3.46Å; L15-Q17 VanDerWaalsContact C-N 3.29Å; L15-Q17 PolarHBondContact O-N 3.02Å
18	I	92	Very high	90	Very high	30 Å²	30	71.9 Å²	71.9	15%	0.154	35%	0.346	C	S	.	.			trans	-120.6	158.8	-179.7	55.2	172.5	0	0	0	111.3	C13 L16 V22 L27 A30 L63	C13-I18 HydrophobicContact CB-CD1 4.4Å; C13-I18 HydrophobicContact CB-CG1 3.95Å; C13-I18 WeakPolarHBondContact O-CG1 3.43Å; C13-I18 PolarHBondContact O-N 3.24Å; L16-I18 VanDerWaalsContact C-N 3.29Å; L16-I18 HydrophobicContact CB-CD1 3.96Å; L16-I18 HydrophobicContact CB-CG1 3.87Å; L16-I18 PolarHBondContact O-N 3.04Å; I18-V22 HydrophobicContact CB-CG2 3.73Å; I18-V22 HydrophobicContact CD1-CB 4.33Å; I18-V22 HydrophobicContact CD1-CG1 3.95Å; I18-V22 HydrophobicContact CD1-CG2 4Å; I18-V22 HydrophobicContact CG1-CG2 4.14Å; I18-L27 HydrophobicContact CD1-CD1 3.77Å; I18-A30 HydrophobicContact CG2-CB 3.31Å; I18-L63 HydrophobicContact CD1-CD1 4.11Å
19	Q	89.3	Confident	90.1	Very high	146 Å²	146	72.9 Å²	72.9	68%	0.682	35%	0.349	S	S	*	.			trans	-74.1	-176.7	174.8	-63.9	178.7	-53.9	0	0	110.9	C13 D21 V22	C13-Q19 PolarHBondContact SG-O 3.26Å; C13-Q19 VanDerWaalsContact SG-O 3.38Å; Q19-D21 WeakPolarHBondContact CB-OD1 3.25Å; Q19-V22 WeakPolarHBondContact O-CG2 3.29Å
20	T	85.3	Confident	90.3	Very high	83 Å²	83	72.6 Å²	72.6	51%	0.509	35%	0.349	S	S	.	.	S	Bend	trans	-90.1	-17.2	-177.7	43.5	0	0	0	0	113.8	K10 V22	K10-T20 HydrophobicContact CG-CG2 3.92Å; T20-V22 PolarHBondContact O-N 3.14Å
21	D	82.8	Confident	90.5	Very high	125 Å²	125	72.3 Å²	72.3	67%	0.668	35%	0.346	S	S	*	.	S	Bend	trans	-99.3	38.6	-175	55	-39.1	0	0	0	112.4	Q19	Q19-D21 WeakPolarHBondContact CB-OD1 3.25Å
22	V	79.7	Confident	90.5	Very high	23 Å²	23	73.7 Å²	73.7	14%	0.139	35%	0.347	C	S	.	.			trans	-85.1	136.4	-166	164.8	0	0	0	0	113.8	I18 Q19 T20 D26 L27	I18-V22 HydrophobicContact CB-CG2 3.73Å; I18-V22 HydrophobicContact CD1-CB 4.33Å; I18-V22 HydrophobicContact CD1-CG1 3.95Å; I18-V22 HydrophobicContact CD1-CG2 4Å; I18-V22 HydrophobicContact CG1-CG2 4.14Å; Q19-V22 WeakPolarHBondContact O-CG2 3.29Å; T20-V22 PolarHBondContact O-N 3.14Å; V22-D26 HydrophobicContact CG1-CB 4.27Å; V22-L27 HydrophobicContact CG1-CB 3.92Å
23	T	87.6	Confident	90.7	Very high	73 Å²	73	79.5 Å²	79.5	45%	0.448	37%	0.367	S	S	.	.			trans	-81	156.6	168.1	81.9	0	0	0	0	111.7	N25 D26 L27	T23-N25 PolarHBondContact O-N 3.17Å; T23-N25 VanDerWaalsContact O-N 3.13Å; T23-N25 PolarHBondContact OG1-N 2.74Å; T23-D26 PolarHBondContact O-N 3.46Å; T23-D26 PolarHBondContact OG1-N 3.26Å; T23-D26 PolarHBondContact OG1-OD2 3.44Å; T23-L27 PolarHBondContact O-N 3.45Å
24	I	88.5	Confident	90.8	Very high	34 Å²	34	80 Å²	80	17%	0.174	37%	0.369	C	S	.	.	H	α-helix	trans	-56.6	-31.1	175.5	-62.2	171.7	0	0	0	111.5	R28 L67	I24-R28 WeakPolarHBondContact O-CG 3.39Å; I24-R28 PolarHBondContact O-N 2.79Å; I24-R28 VanDerWaalsContact O-N 3.1Å; I24-L67 HydrophobicContact CD1-CB 4.43Å; I24-L67 HydrophobicContact CG1-CB 3.98Å; I24-L67 HydrophobicContact CG1-CD1 4.1Å
25	N	88.8	Confident	90.9	Very high	94 Å²	94	71.3 Å²	71.3	50%	0.503	34%	0.339	S	S	.	.	H	α-helix	trans	-68.2	-42.2	177.3	-169	22.5	0	0	0	111.9	T23 R28 K29	T23-N25 PolarHBondContact O-N 3.17Å; T23-N25 VanDerWaalsContact O-N 3.13Å; T23-N25 PolarHBondContact OG1-N 2.74Å; N25-R28 WeakPolarHBondContact O-CB 3.31Å; N25-R28 PolarHBondContact O-N 2.86Å; N25-K29 PolarHBondContact ND2-NZ 3.47Å; N25-K29 WeakPolarHBondContact O-CG 3.28Å; N25-K29 PolarHBondContact O-N 3.21Å
26	D	90.9	Very high	90.9	Very high	60 Å²	60	74 Å²	74	32%	0.321	35%	0.348	S	S	.	.	H	α-helix	trans	-74.8	-33.1	-178.8	-53.3	-51.1	0	0	0	111.6	V22 T23 R28 K29 A30	V22-D26 HydrophobicContact CG1-CB 4.27Å; T23-D26 PolarHBondContact O-N 3.46Å; T23-D26 PolarHBondContact OG1-N 3.26Å; T23-D26 PolarHBondContact OG1-OD2 3.44Å; D26-R28 PolarHBondContact O-N 3.16Å; D26-K29 PolarHBondContact O-N 3.16Å; D26-K29 IonicContact OD1-NZ 3.19Å; D26-K29 PolarHBondContact OD1-NZ 3.29Å; D26-A30 WeakPolarHBondContact O-CB 3.36Å; D26-A30 PolarHBondContact O-N 3.47Å
27	L	92.7	Very high	90.9	Very high	0 Å²	0	82.4 Å²	82.4	0%	0	38%	0.381	C	S	.	.	H	α-helix	trans	-56.9	-46.1	167.2	-179.9	64.2	0	0	0	111.6	L16 I18 V22 T23 A30 Y31 Y60 L63 C64 L67	L16-L27 HydrophobicContact CD1-CD1 3.76Å; I18-L27 HydrophobicContact CD1-CD1 3.77Å; V22-L27 HydrophobicContact CG1-CB 3.92Å; T23-L27 PolarHBondContact O-N 3.45Å; L27-A30 PolarHBondContact O-N 2.76Å; L27-Y31 WeakPolarHBondContact O-CB 3.41Å; L27-Y31 PolarHBondContact O-N 3.19Å; L27-Y60 HydrophobicContact CD1-CD2 4.12Å; L27-Y60 HydrophobicContact CD2-CD2 4.19Å; L27-Y60 HydrophobicContact CD2-CE2 4.23Å; L27-Y60 HydrophobicContact CG-CD2 3.73Å; L27-Y60 HydrophobicContact CG-CE2 3.89Å; L27-L63 HydrophobicContact CD1-CB 4.08Å; L27-L63 HydrophobicContact CD1-CD1 3.87Å; L27-L63 HydrophobicContact CD2-CB 3.88Å; L27-C64 HydrophobicContact CD2-CB 4.17Å; L27-L67 HydrophobicContact CD2-CD1 3.98Å
28	R	92.1	Very high	91	Very high	137 Å²	137	79.8 Å²	79.8	52%	0.517	37%	0.366	S	S	.	.	H	α-helix	trans	-62.6	-44.6	175.5	-75.7	172.5	178.5	-171.6	-0	112.5	I24 N25 D26 Y31 Y32 Y60	I24-R28 WeakPolarHBondContact O-CG 3.39Å; I24-R28 PolarHBondContact O-N 2.79Å; I24-R28 VanDerWaalsContact O-N 3.1Å; N25-R28 WeakPolarHBondContact O-CB 3.31Å; N25-R28 PolarHBondContact O-N 2.86Å; D26-R28 PolarHBondContact O-N 3.16Å; R28-Y31 PolarHBondContact O-N 2.97Å; R28-Y32 WeakPolarHBondContact O-CB 3.5Å; R28-Y32 PolarHBondContact O-N 3.24Å; R28-Y60 HydrophobicContact CG-CE2 3.99Å; R28-Y60 WeakPolarHBondContact CG-OH 3.26Å
29	K	93.6	Very high	91.1	Very high	102 Å²	102	81.8 Å²	81.8	44%	0.443	38%	0.375	S	S	.	.	H	α-helix	trans	-61.4	-43.5	176.7	-68.6	170	-163.3	159.6	0	111.9	N25 D26 Y32 R33	N25-K29 PolarHBondContact ND2-NZ 3.47Å; N25-K29 WeakPolarHBondContact O-CG 3.28Å; N25-K29 PolarHBondContact O-N 3.21Å; D26-K29 PolarHBondContact O-N 3.16Å; D26-K29 IonicContact OD1-NZ 3.19Å; D26-K29 PolarHBondContact OD1-NZ 3.29Å; K29-Y32 PolarHBondContact O-N 2.95Å; K29-R33 WeakPolarHBondContact O-CG 3.03Å; K29-R33 PolarHBondContact O-N 3.34Å
30	A	94.3	Very high	91.2	Very high	4 Å²	4	77.3 Å²	77.3	3%	0.033	36%	0.358	C	S	.	.	H	α-helix	trans	-65.7	-46.6	179.2	0	0	0	0	0	112	I18 D26 L27 Y32 R33 L34	I18-A30 HydrophobicContact CG2-CB 3.31Å; D26-A30 WeakPolarHBondContact O-CB 3.36Å; D26-A30 PolarHBondContact O-N 3.47Å; L27-A30 PolarHBondContact O-N 2.76Å; A30-Y32 PolarHBondContact O-N 3.25Å; A30-R33 PolarHBondContact O-N 2.94Å; A30-L34 PolarHBondContact O-N 2.66Å; A30-L34 VanDerWaalsContact O-N 3.09Å
31	Y	95.7	Very high	91.6	Very high	64 Å²	64	79.6 Å²	79.6	25%	0.251	37%	0.367	S	S	.	.	H	α-helix	trans	-55.1	-50.7	172.7	173.5	-104.9	0	0	0	111.5	L27 R28 R33 L34 A35 V56 Y60	L27-Y31 WeakPolarHBondContact O-CB 3.41Å; L27-Y31 PolarHBondContact O-N 3.19Å; R28-Y31 PolarHBondContact O-N 2.97Å; Y31-R33 VanDerWaalsContact C-N 3.34Å; Y31-R33 PolarHBondContact O-N 3.02Å; Y31-L34 PolarHBondContact O-N 2.75Å; Y31-A35 HydrophobicContact CE1-CB 4.38Å; Y31-A35 HydrophobicContact CE2-CB 4.33Å; Y31-A35 WeakPolarHBondContact O-CB 3.45Å; Y31-A35 PolarHBondContact O-N 2.96Å; Y31-V56 HydrophobicContact CD2-CG1 3.79Å; Y31-V56 HydrophobicContact CE2-CG1 4.17Å; Y31-Y60 HydrophobicContact CD1-CD2 4.44Å; Y31-Y60 HydrophobicContact CD1-CG 4.43Å; Y31-Y60 HydrophobicContact CD2-CD1 4.41Å; Y31-Y60 HydrophobicContact CD2-CD2 4.3Å; Y31-Y60 AromaticContact CD2-CG 3.88Å; Y31-Y60 HydrophobicContact CD2-CG 3.88Å; Y31-Y60 HydrophobicContact CG-CD1 4.37Å; Y31-Y60 AromaticContact CG-CD2 3.85Å; Y31-Y60 HydrophobicContact CG-CD2 3.85Å; Y31-Y60 HydrophobicContact CG-CE2 4.41Å; Y31-Y60 AromaticContact CG-CG 3.83Å; Y31-Y60 HydrophobicContact CG-CG 3.83Å
32	Y	94.2	Very high	92	Very high	153 Å²	153	79.2 Å²	79.2	60%	0.6	36%	0.36	S	S	*	.	H	α-helix	trans	-59.3	-41.3	179.7	-178.7	-103	0	0	0	113.1	R28 K29 A30 K36	R28-Y32 WeakPolarHBondContact O-CB 3.5Å; R28-Y32 PolarHBondContact O-N 3.24Å; K29-Y32 PolarHBondContact O-N 2.95Å; A30-Y32 PolarHBondContact O-N 3.25Å; Y32-K36 VanDerWaalsContact O-CB 3.23Å; Y32-K36 WeakPolarHBondContact O-CB 3.17Å; Y32-K36 PolarHBondContact O-N 2.97Å
33	R	95	Very high	92.6	Very high	158 Å²	158	80.3 Å²	80.3	60%	0.596	37%	0.365	S	S	*	.	H	α-helix	trans	-60.6	-47.9	176.2	-75.2	170.3	64	-143.2	-3.6	112	K29 A30 Y31 Y37	K29-R33 WeakPolarHBondContact O-CG 3.03Å; K29-R33 PolarHBondContact O-N 3.34Å; A30-R33 PolarHBondContact O-N 2.94Å; Y31-R33 VanDerWaalsContact C-N 3.34Å; Y31-R33 PolarHBondContact O-N 3.02Å; R33-Y37 PolarHBondContact O-N 2.99Å
34	L	94.8	Very high	92.6	Very high	13 Å²	13	82 Å²	82	7%	0.068	38%	0.377	C	S	.	.	H	α-helix	trans	-73.8	-42.8	-177.5	-67.2	168.6	0	0	0	111.8	L16 A30 Y31 K36 Y37 Y38 V56	L16-L34 HydrophobicContact CD2-CD1 4.22Å; A30-L34 PolarHBondContact O-N 2.66Å; A30-L34 VanDerWaalsContact O-N 3.09Å; Y31-L34 PolarHBondContact O-N 2.75Å; L34-K36 VanDerWaalsContact C-N 3.3Å; L34-K36 PolarHBondContact O-N 2.93Å; L34-Y37 WeakPolarHBondContact O-CB 3.31Å; L34-Y37 PolarHBondContact O-N 2.97Å; L34-Y38 HydrophobicContact CB-CD2 4.42Å; L34-Y38 HydrophobicContact CD2-CE2 3.99Å; L34-Y38 WeakPolarHBondContact O-CD2 3.5Å; L34-Y38 PolarHBondContact O-N 3.13Å; L34-V56 HydrophobicContact CB-CG1 3.91Å; L34-V56 HydrophobicContact CB-CG2 4.27Å; L34-V56 HydrophobicContact CD1-CG1 4.34Å; L34-V56 HydrophobicContact CD1-CG2 4.21Å
35	A	94.7	Very high	92.5	Very high	12 Å²	12	90.2 Å²	90.2	10%	0.099	41%	0.411	C	S	.	.	H	α-helix	trans	-55.6	-44.3	173.5	0	0	0	0	0	111.6	Y31 Y37 H39 F53	Y31-A35 HydrophobicContact CE1-CB 4.38Å; Y31-A35 HydrophobicContact CE2-CB 4.33Å; Y31-A35 WeakPolarHBondContact O-CB 3.45Å; Y31-A35 PolarHBondContact O-N 2.96Å; A35-Y37 PolarHBondContact O-N 3.34Å; A35-H39 WeakPolarHBondContact O-CB 3.39Å; A35-H39 PolarHBondContact O-N 3.26Å; A35-F53 HydrophobicContact CB-CD2 4.42Å; A35-F53 HydrophobicContact CB-CE2 3.88Å
36	K	93.4	Very high	92.6	Very high	122 Å²	122	89.3 Å²	89.3	53%	0.53	41%	0.407	S	S	.	.	H	α-helix	trans	-62.8	-25.1	177.3	-175.6	177.3	177.4	179.7	0	113.6	Y32 L34 K42	Y32-K36 VanDerWaalsContact O-CB 3.23Å; Y32-K36 WeakPolarHBondContact O-CB 3.17Å; Y32-K36 PolarHBondContact O-N 2.97Å; L34-K36 VanDerWaalsContact C-N 3.3Å; L34-K36 PolarHBondContact O-N 2.93Å; K36-K42 PolarHBondContact O-NZ 2.77Å
37	Y	92.8	Very high	92.7	Very high	177 Å²	177	94.3 Å²	94.3	69%	0.694	43%	0.428	S	S	*	.	H	α-helix	trans	-90.4	-44.8	-177.3	-141.7	-82.2	0	0	0	112.1	R33 L34 A35 N43	R33-Y37 PolarHBondContact O-N 2.99Å; L34-Y37 WeakPolarHBondContact O-CB 3.31Å; L34-Y37 PolarHBondContact O-N 2.97Å; A35-Y37 PolarHBondContact O-N 3.34Å; Y37-N43 PolarHBondContact O-ND2 3.19Å
38	Y	93.4	Very high	92.7	Very high	65 Å²	65	100.1 Å²	100.1	26%	0.255	46%	0.458	S	S	.	.	H	α-helix	trans	-94.4	6.2	-176.5	-64.4	-64.3	0	0	0	114.6	L34 A49 H52	L34-Y38 HydrophobicContact CB-CD2 4.42Å; L34-Y38 HydrophobicContact CD2-CE2 3.99Å; L34-Y38 WeakPolarHBondContact O-CD2 3.5Å; L34-Y38 PolarHBondContact O-N 3.13Å; Y38-A49 HydrophobicContact CD1-CB 4.15Å; Y38-H52 HydrophobicContact CD1-CB 3.91Å; Y38-H52 HydrophobicContact CD2-CB 4.24Å; Y38-H52 HydrophobicContact CE1-CB 4.13Å; Y38-H52 HydrophobicContact CE2-CB 4.44Å; Y38-H52 HydrophobicContact CG-CB 3.97Å
39	H	93	Very high	92.7	Very high	73 Å²	73	93.8 Å²	93.8	34%	0.338	44%	0.435	S	S	.	.			trans	-55.9	133.9	-179	-157.4	-100.6	0	0	0	111.9	A35 D41 K42 N43	A35-H39 WeakPolarHBondContact O-CB 3.39Å; A35-H39 PolarHBondContact O-N 3.26Å; H39-D41 VanDerWaalsContact C-N 3.35Å; H39-D41 WeakPolarHBondContact ND1-CB 3.43Å; H39-D41 PolarHBondContact ND1-N 3.19Å; H39-D41 PolarHBondContact O-N 2.98Å; H39-K42 PolarHBondContact O-N 2.84Å; H39-N43 PolarHBondContact O-N 2.73Å; H39-N43 PolarHBondContact O-ND2 3.39Å
40	P	92.7	Very high	92.6	Very high	52 Å²	52	91.5 Å²	91.5	34%	0.338	43%	0.43	S	S	.	.	G	3₁₀ helix	trans	-62.5	-38.3	-176.7	23	-33.5	0	0	0	112.9	K42 N43 P44	P40-K42 PolarHBondContact O-N 3.13Å; P40-N43 CarbonylContact O-C 3.54Å; P40-N43 PolarHBondContact O-N 3.08Å; P40-P44 WeakPolarHBondContact O-CA 3.43Å; P40-P44 VanDerWaalsContact O-N 3.15Å
41	D	92.7	Very high	92.6	Very high	130 Å²	130	95 Å²	95	70%	0.695	45%	0.451	S	S	*	.	G	3₁₀ helix	trans	-54	-37.5	176.4	-176.1	55.1	0	0	0	113.4	H39	H39-D41 VanDerWaalsContact C-N 3.35Å; H39-D41 WeakPolarHBondContact ND1-CB 3.43Å; H39-D41 PolarHBondContact ND1-N 3.19Å; H39-D41 PolarHBondContact O-N 2.98Å
42	K	92.2	Very high	92.5	Very high	118 Å²	118	96 Å²	96	51%	0.513	46%	0.458	S	S	.	.	G	3₁₀ helix	trans	-85.2	-18.2	178.7	-64.7	-175.3	-175.2	175.6	0	113.6	K36 H39 P40	K36-K42 PolarHBondContact O-NZ 2.77Å; H39-K42 PolarHBondContact O-N 2.84Å; P40-K42 PolarHBondContact O-N 3.13Å
43	N	91.7	Very high	92.5	Very high	45 Å²	45	91 Å²	91	24%	0.241	44%	0.439	C	S	.	.			trans	-126.6	50.1	-174.7	-60	-82.9	0	0	0	111.1	Y37 H39 P40 K45 N46 A49	Y37-N43 PolarHBondContact O-ND2 3.19Å; H39-N43 PolarHBondContact O-N 2.73Å; H39-N43 PolarHBondContact O-ND2 3.39Å; P40-N43 CarbonylContact O-C 3.54Å; P40-N43 PolarHBondContact O-N 3.08Å; N43-K45 PolarHBondContact O-N 2.69Å; N43-N46 HydrophobicContact CB-CB 4.24Å; N43-N46 PolarHBondContact O-N 3.31Å; N43-A49 HydrophobicContact CB-CB 3.76Å
44	P	87.1	Confident	92.4	Very high	109 Å²	109	88.5 Å²	88.5	71%	0.708	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-2.8	-166	28.5	-37.7	0	0	0	115	P40	P40-P44 WeakPolarHBondContact O-CA 3.43Å; P40-P44 VanDerWaalsContact O-N 3.15Å
45	K	87.2	Confident	92.4	Very high	206 Å²	206	91.5 Å²	91.5	90%	0.896	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.8	6	178.8	-61.4	-175.1	178.9	-178.4	0	113.8	N43	N43-K45 PolarHBondContact O-N 2.69Å
46	N	90.8	Very high	92.4	Very high	76 Å²	76	91.1 Å²	91.1	41%	0.406	45%	0.449	S	S	.	.			trans	-121.5	90.1	-170.1	-163.3	-6.5	0	0	0	111.7	N43 L48 A49 T50	N43-N46 HydrophobicContact CB-CB 4.24Å; N43-N46 PolarHBondContact O-N 3.31Å; N46-L48 PolarHBondContact O-N 2.76Å; N46-L48 VanDerWaalsContact O-N 3.16Å; N46-A49 HydrophobicContact CB-CB 4.23Å; N46-A49 WeakPolarHBondContact O-CB 3.14Å; N46-A49 PolarHBondContact O-N 3.34Å; N46-T50 PolarHBondContact O-N 2.76Å
47	E	91.8	Very high	92.5	Very high	164 Å²	164	86.3 Å²	86.3	77%	0.766	43%	0.431	S	S	*	.	H	α-helix	trans	-57.2	-30.2	-178.9	-60.4	-177.7	168.5	0	0	113.2	A49 T50 T51	E47-A49 VanDerWaalsContact C-N 3.32Å; E47-A49 PolarHBondContact O-N 3.46Å; E47-T50 PolarHBondContact O-N 3.34Å; E47-T51 WeakPolarHBondContact O-CB 3.3Å; E47-T51 PolarHBondContact O-N 2.78Å; E47-T51 PolarHBondContact O-OG1 2.69Å
48	L	92.9	Very high	92.5	Very high	122 Å²	122	86.4 Å²	86.4	64%	0.639	43%	0.43	S	S	*	.	H	α-helix	trans	-63.5	-37.8	174.7	-60.1	177.7	0	0	0	111.6	N46 T51 H52	N46-L48 PolarHBondContact O-N 2.76Å; N46-L48 VanDerWaalsContact O-N 3.16Å; L48-T51 PolarHBondContact O-N 3.36Å; L48-H52 WeakPolarHBondContact O-CB 3.18Å; L48-H52 PolarHBondContact O-CD2 2.78Å; L48-H52 PolarHBondContact O-N 3.25Å
49	A	92.3	Very high	92.5	Very high	4 Å²	4	83.3 Å²	83.3	3%	0.033	42%	0.418	C	S	.	.	H	α-helix	trans	-65.4	-46.2	177.2	0	0	0	0	0	111.1	Y38 N43 N46 E47 T51 H52 F53	Y38-A49 HydrophobicContact CD1-CB 4.15Å; N43-A49 HydrophobicContact CB-CB 3.76Å; N46-A49 HydrophobicContact CB-CB 4.23Å; N46-A49 WeakPolarHBondContact O-CB 3.14Å; N46-A49 PolarHBondContact O-N 3.34Å; E47-A49 VanDerWaalsContact C-N 3.32Å; E47-A49 PolarHBondContact O-N 3.46Å; A49-T51 VanDerWaalsContact C-N 3.31Å; A49-T51 PolarHBondContact O-N 2.76Å; A49-H52 PolarHBondContact O-N 3.29Å; A49-F53 WeakPolarHBondContact O-CB 3.02Å; A49-F53 PolarHBondContact O-N 2.84Å
50	T	92.1	Very high	92.6	Very high	55 Å²	55	82.1 Å²	82.1	34%	0.337	41%	0.41	S	S	.	.	H	α-helix	trans	-58.3	-43.6	174.4	-53.8	0	0	0	0	111.6	N46 E47 F53 I54	N46-T50 PolarHBondContact O-N 2.76Å; E47-T50 PolarHBondContact O-N 3.34Å; T50-F53 PolarHBondContact O-N 2.95Å; T50-I54 HydrophobicContact CG2-CD1 4.27Å; T50-I54 WeakPolarHBondContact O-CG1 3.41Å; T50-I54 PolarHBondContact O-N 2.88Å; T50-I54 VanDerWaalsContact O-N 3.08Å
51	T	94	Very high	92.6	Very high	76 Å²	76	85.6 Å²	85.6	47%	0.466	42%	0.422	S	S	.	.	H	α-helix	trans	-62.3	-45.5	177	-55.3	0	0	0	0	111.6	E47 L48 A49 F53 I54 L55	E47-T51 WeakPolarHBondContact O-CB 3.3Å; E47-T51 PolarHBondContact O-N 2.78Å; E47-T51 PolarHBondContact O-OG1 2.69Å; L48-T51 PolarHBondContact O-N 3.36Å; A49-T51 VanDerWaalsContact C-N 3.31Å; A49-T51 PolarHBondContact O-N 2.76Å; T51-F53 PolarHBondContact O-N 3.01Å; T51-I54 PolarHBondContact O-N 3.47Å; T51-L55 HydrophobicContact CG2-CD1 4.41Å; T51-L55 WeakPolarHBondContact O-CG 3.27Å; T51-L55 PolarHBondContact O-N 2.85Å; T51-L55 VanDerWaalsContact O-N 3.13Å
52	H	93.5	Very high	92.6	Very high	87 Å²	87	81.5 Å²	81.5	40%	0.403	40%	0.402	S	S	.	.	H	α-helix	trans	-62.5	-40.1	174.4	-79.9	-60.9	0	0	0	112.8	Y38 L48 A49 I54 L55 V56	Y38-H52 HydrophobicContact CD1-CB 3.91Å; Y38-H52 HydrophobicContact CD2-CB 4.24Å; Y38-H52 HydrophobicContact CE1-CB 4.13Å; Y38-H52 HydrophobicContact CE2-CB 4.44Å; Y38-H52 HydrophobicContact CG-CB 3.97Å; L48-H52 WeakPolarHBondContact O-CB 3.18Å; L48-H52 PolarHBondContact O-CD2 2.78Å; L48-H52 PolarHBondContact O-N 3.25Å; A49-H52 PolarHBondContact O-N 3.29Å; H52-I54 PolarHBondContact O-N 3.01Å; H52-L55 PolarHBondContact O-N 3.4Å; H52-V56 WeakPolarHBondContact O-CB 3.5Å; H52-V56 VanDerWaalsContact O-CG2 3.27Å; H52-V56 WeakPolarHBondContact O-CG2 3.23Å; H52-V56 PolarHBondContact O-N 2.86Å
53	F	94.7	Very high	92.5	Very high	46 Å²	46	76 Å²	76	20%	0.202	38%	0.378	C	S	.	.	H	α-helix	trans	-61.2	-42.4	177.2	-179.6	-95.6	0	0	0	112.4	A35 A49 T50 T51 V56 S57	A35-F53 HydrophobicContact CB-CD2 4.42Å; A35-F53 HydrophobicContact CB-CE2 3.88Å; A49-F53 WeakPolarHBondContact O-CB 3.02Å; A49-F53 PolarHBondContact O-N 2.84Å; T50-F53 PolarHBondContact O-N 2.95Å; T51-F53 PolarHBondContact O-N 3.01Å; F53-V56 PolarHBondContact O-N 2.85Å; F53-S57 WeakPolarHBondContact O-CB 3.45Å; F53-S57 PolarHBondContact O-N 3.38Å; F53-S57 PolarHBondContact O-OG 2.79Å
54	I	93.6	Very high	92.5	Very high	106 Å²	106	74.7 Å²	74.7	54%	0.544	37%	0.372	S	S	.	.	H	α-helix	trans	-62.7	-46.2	175.8	-66.3	164	0	0	0	110.6	T50 T51 H52 S57 R58	T50-I54 HydrophobicContact CG2-CD1 4.27Å; T50-I54 WeakPolarHBondContact O-CG1 3.41Å; T50-I54 PolarHBondContact O-N 2.88Å; T50-I54 VanDerWaalsContact O-N 3.08Å; T51-I54 PolarHBondContact O-N 3.47Å; H52-I54 PolarHBondContact O-N 3.01Å; I54-S57 PolarHBondContact O-N 3.06Å; I54-R58 WeakPolarHBondContact O-CB 3.18Å; I54-R58 PolarHBondContact O-N 3.23Å
55	L	94.4	Very high	92.5	Very high	77 Å²	77	73.7 Å²	73.7	40%	0.403	36%	0.361	S	S	.	.	H	α-helix	trans	-62.6	-44.7	178.4	-70.5	171.9	0	0	0	112.6	L15 T51 H52 R58 A59	L15-L55 HydrophobicContact CD1-CB 4.18Å; L15-L55 HydrophobicContact CD2-CB 4.41Å; T51-L55 HydrophobicContact CG2-CD1 4.41Å; T51-L55 WeakPolarHBondContact O-CG 3.27Å; T51-L55 PolarHBondContact O-N 2.85Å; T51-L55 VanDerWaalsContact O-N 3.13Å; H52-L55 PolarHBondContact O-N 3.4Å; L55-R58 PolarHBondContact O-N 2.76Å; L55-A59 WeakPolarHBondContact O-CB 3.15Å; L55-A59 PolarHBondContact O-N 3.36Å
56	V	94.8	Very high	92.5	Very high	4 Å²	4	65.2 Å²	65.2	2%	0.024	33%	0.325	C	S	.	.	H	α-helix	trans	-61.8	-42.5	176.5	165.8	0	0	0	0	111.2	L15 L16 Y31 L34 H52 F53 A59 Y60	L15-V56 HydrophobicContact CD2-CB 4.28Å; L15-V56 HydrophobicContact CD2-CG2 3.67Å; L16-V56 HydrophobicContact CD2-CG1 4.01Å; Y31-V56 HydrophobicContact CD2-CG1 3.79Å; Y31-V56 HydrophobicContact CE2-CG1 4.17Å; L34-V56 HydrophobicContact CB-CG1 3.91Å; L34-V56 HydrophobicContact CB-CG2 4.27Å; L34-V56 HydrophobicContact CD1-CG1 4.34Å; L34-V56 HydrophobicContact CD1-CG2 4.21Å; H52-V56 WeakPolarHBondContact O-CB 3.5Å; H52-V56 VanDerWaalsContact O-CG2 3.27Å; H52-V56 WeakPolarHBondContact O-CG2 3.23Å; H52-V56 PolarHBondContact O-N 2.86Å; F53-V56 PolarHBondContact O-N 2.85Å; V56-A59 PolarHBondContact O-N 3.38Å; V56-Y60 WeakPolarHBondContact O-CB 3.38Å; V56-Y60 PolarHBondContact O-N 3.04Å
57	S	94.7	Very high	92.3	Very high	20 Å²	20	62.6 Å²	62.6	14%	0.14	31%	0.31	C	S	.	.	H	α-helix	trans	-66.3	-44.2	179.1	-57.9	0	0	0	0	112.2	F53 I54 Y60 Q61	F53-S57 WeakPolarHBondContact O-CB 3.45Å; F53-S57 PolarHBondContact O-N 3.38Å; F53-S57 PolarHBondContact O-OG 2.79Å; I54-S57 PolarHBondContact O-N 3.06Å; S57-Y60 PolarHBondContact O-N 3.45Å; S57-Q61 WeakPolarHBondContact O-CG 3.42Å; S57-Q61 PolarHBondContact O-N 2.72Å; S57-Q61 VanDerWaalsContact O-N 3.13Å
58	R	93.7	Very high	91.9	Very high	180 Å²	180	58.4 Å²	58.4	68%	0.679	29%	0.291	S	S	*	.	H	α-helix	trans	-61.2	-45.7	174.4	-175.3	176.4	178.3	177.1	-0.4	111.3	I54 L55 Y60 Q61 T62	I54-R58 WeakPolarHBondContact O-CB 3.18Å; I54-R58 PolarHBondContact O-N 3.23Å; L55-R58 PolarHBondContact O-N 2.76Å; R58-Y60 VanDerWaalsContact C-N 3.34Å; R58-Y60 PolarHBondContact O-N 2.74Å; R58-Q61 PolarHBondContact O-N 2.66Å; R58-T62 PolarHBondContact O-N 3.02Å; R58-T62 VanDerWaalsContact O-N 3.08Å; R58-T62 PolarHBondContact O-OG1 2.85Å; R58-T62 VanDerWaalsContact O-OG1 3.09Å
59	A	93.5	Very high	91.2	Very high	0 Å²	0	57 Å²	57	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-61.1	-41.5	178.1	0	0	0	0	0	112.5	L12 L15 L16 L55 V56 L63	L12-A59 HydrophobicContact CB-CB 4.34Å; L12-A59 HydrophobicContact CD2-CB 3.79Å; L15-A59 HydrophobicContact CD2-CB 4Å; L16-A59 HydrophobicContact CD1-CB 3.73Å; L16-A59 HydrophobicContact CG-CB 4.28Å; L55-A59 WeakPolarHBondContact O-CB 3.15Å; L55-A59 PolarHBondContact O-N 3.36Å; V56-A59 PolarHBondContact O-N 3.38Å; A59-L63 WeakPolarHBondContact O-CB 3.35Å; A59-L63 WeakPolarHBondContact O-CG 3.48Å; A59-L63 PolarHBondContact O-N 3.2Å
60	Y	94.1	Very high	90.7	Very high	47 Å²	47	61.6 Å²	61.6	18%	0.184	30%	0.297	C	S	.	.	H	α-helix	trans	-61.1	-48.5	177	171.5	-98.2	0	0	0	112	L27 R28 Y31 V56 S57 R58 L63 C64	L27-Y60 HydrophobicContact CD1-CD2 4.12Å; L27-Y60 HydrophobicContact CD2-CD2 4.19Å; L27-Y60 HydrophobicContact CD2-CE2 4.23Å; L27-Y60 HydrophobicContact CG-CD2 3.73Å; L27-Y60 HydrophobicContact CG-CE2 3.89Å; R28-Y60 HydrophobicContact CG-CE2 3.99Å; R28-Y60 WeakPolarHBondContact CG-OH 3.26Å; Y31-Y60 HydrophobicContact CD1-CD2 4.44Å; Y31-Y60 HydrophobicContact CD1-CG 4.43Å; Y31-Y60 HydrophobicContact CD2-CD1 4.41Å; Y31-Y60 HydrophobicContact CD2-CD2 4.3Å; Y31-Y60 AromaticContact CD2-CG 3.88Å; Y31-Y60 HydrophobicContact CD2-CG 3.88Å; Y31-Y60 HydrophobicContact CG-CD1 4.37Å; Y31-Y60 AromaticContact CG-CD2 3.85Å; Y31-Y60 HydrophobicContact CG-CD2 3.85Å; Y31-Y60 HydrophobicContact CG-CE2 4.41Å; Y31-Y60 AromaticContact CG-CG 3.83Å; Y31-Y60 HydrophobicContact CG-CG 3.83Å; V56-Y60 WeakPolarHBondContact O-CB 3.38Å; V56-Y60 PolarHBondContact O-N 3.04Å; S57-Y60 PolarHBondContact O-N 3.45Å; R58-Y60 VanDerWaalsContact C-N 3.34Å; R58-Y60 PolarHBondContact O-N 2.74Å; Y60-L63 PolarHBondContact O-N 2.65Å; Y60-C64 WeakPolarHBondContact O-CB 3.4Å; Y60-C64 PolarHBondContact O-N 2.76Å
61	Q	92.8	Very high	90.1	Very high	125 Å²	125	63.1 Å²	63.1	58%	0.584	30%	0.303	S	S	*	.	H	α-helix	trans	-60	-49	178.7	-71.1	173.1	-15.6	0	0	111.7	S57 R58 L63 C64 N65	S57-Q61 WeakPolarHBondContact O-CG 3.42Å; S57-Q61 PolarHBondContact O-N 2.72Å; S57-Q61 VanDerWaalsContact O-N 3.13Å; R58-Q61 PolarHBondContact O-N 2.66Å; Q61-L63 PolarHBondContact O-N 2.8Å; Q61-C64 PolarHBondContact O-N 3.42Å; Q61-N65 PolarHBondContact O-N 3.02Å; Q61-N65 VanDerWaalsContact O-N 3.15Å
62	T	91.9	Very high	89.1	Confident	45 Å²	45	64 Å²	64	28%	0.276	30%	0.304	S	S	.	.	H	α-helix	trans	-61	-44.6	179.9	-59.5	0	0	0	0	112.3	I4 L12 R58 E66	I4-T62 HydrophobicContact CD1-CG2 3.41Å; I4-T62 VanDerWaalsContact CD1-CG2 3.41Å; I4-T62 HydrophobicContact CG1-CG2 3.87Å; L12-T62 HydrophobicContact CD1-CG2 3.53Å; R58-T62 PolarHBondContact O-N 3.02Å; R58-T62 VanDerWaalsContact O-N 3.08Å; R58-T62 PolarHBondContact O-OG1 2.85Å; R58-T62 VanDerWaalsContact O-OG1 3.09Å; T62-E66 PolarHBondContact O-N 2.68Å
63	L	91.6	Very high	88.4	Confident	2 Å²	2	66.9 Å²	66.9	1%	0.01	32%	0.315	C	S	.	.	H	α-helix	trans	-70.2	-36.1	177	-71.1	-179.9	0	0	0	113.1	F9 L12 L16 I18 L27 A59 Y60 Q61 E66 L67	F9-L63 HydrophobicContact CD2-CD2 3.4Å; F9-L63 HydrophobicContact CE2-CD2 3.41Å; F9-L63 VanDerWaalsContact CE2-CD2 3.41Å; F9-L63 HydrophobicContact CG-CD2 4.17Å; F9-L63 HydrophobicContact CZ-CD2 4.19Å; L12-L63 HydrophobicContact CB-CD1 3.93Å; L12-L63 HydrophobicContact CB-CD2 3.95Å; L12-L63 HydrophobicContact CB-CG 3.88Å; L12-L63 HydrophobicContact CD1-CD2 4.2Å; L12-L63 HydrophobicContact CD1-CG 4.25Å; L16-L63 HydrophobicContact CD1-CD1 3.61Å; I18-L63 HydrophobicContact CD1-CD1 4.11Å; L27-L63 HydrophobicContact CD1-CB 4.08Å; L27-L63 HydrophobicContact CD1-CD1 3.87Å; L27-L63 HydrophobicContact CD2-CB 3.88Å; A59-L63 WeakPolarHBondContact O-CB 3.35Å; A59-L63 WeakPolarHBondContact O-CG 3.48Å; A59-L63 PolarHBondContact O-N 3.2Å; Y60-L63 PolarHBondContact O-N 2.65Å; Q61-L63 PolarHBondContact O-N 2.8Å; L63-E66 PolarHBondContact O-N 3.47Å; L63-L67 WeakPolarHBondContact O-CB 3.38Å; L63-L67 WeakPolarHBondContact O-CG 3.37Å; L63-L67 PolarHBondContact O-N 2.93Å
64	C	90.1	Very high	87.5	Confident	17 Å²	17	70.8 Å²	70.8	12%	0.115	33%	0.332	C	S	.	.	H	α-helix	trans	-61.8	-48.6	179.6	-171.3	0	0	0	0	110.9	L27 Y60 Q61 E66 L67 H68	L27-C64 HydrophobicContact CD2-CB 4.17Å; Y60-C64 WeakPolarHBondContact O-CB 3.4Å; Y60-C64 PolarHBondContact O-N 2.76Å; Q61-C64 PolarHBondContact O-N 3.42Å; C64-E66 VanDerWaalsContact C-N 3.33Å; C64-E66 PolarHBondContact O-N 3.15Å; C64-L67 PolarHBondContact O-N 2.88Å; C64-H68 PolarHBondContact O-CD2 2.84Å; C64-H68 VanDerWaalsContact O-CD2 3.31Å; C64-H68 PolarHBondContact O-N 2.82Å
65	N	87.5	Confident	86.2	Confident	88 Å²	88	71.5 Å²	71.5	47%	0.471	33%	0.328	S	S	.	.	H	α-helix	trans	-58.6	-44.1	177.1	-68.6	-8.1	0	0	0	111.8	Q61 H68 H69	Q61-N65 PolarHBondContact O-N 3.02Å; Q61-N65 VanDerWaalsContact O-N 3.15Å; N65-H68 PolarHBondContact O-N 3.04Å; N65-H69 PolarHBondContact O-CD2 2.92Å; N65-H69 PolarHBondContact O-N 2.9Å
66	E	88.1	Confident	84.9	Confident	29 Å²	29	71 Å²	71	14%	0.136	33%	0.331	C	S	.	.	H	α-helix	trans	-72.9	-34.7	-177.6	-165.2	64	113.5	0	0	113	I4 T62 L63 C64 H69 R70	I4-E66 HydrophobicContact CD1-CB 3.66Å; I4-E66 HydrophobicContact CD1-CG 3.88Å; I4-E66 PolarHBondContact N-OE1 3.47Å; T62-E66 PolarHBondContact O-N 2.68Å; L63-E66 PolarHBondContact O-N 3.47Å; C64-E66 VanDerWaalsContact C-N 3.33Å; C64-E66 PolarHBondContact O-N 3.15Å; E66-H69 PolarHBondContact O-N 3.47Å; E66-R70 WeakPolarHBondContact O-CB 3.35Å; E66-R70 WeakPolarHBondContact O-CG 3.22Å; E66-R70 PolarHBondContact O-N 3.26Å
67	L	86.2	Confident	83.4	Confident	20 Å²	20	75 Å²	75	11%	0.105	35%	0.352	C	S	.	.	H	α-helix	trans	-65.7	-38.2	170.4	-70.7	179.9	0	0	0	111.6	F9 I24 L27 L63 C64 N71	F9-L67 HydrophobicContact CZ-CD2 4.47Å; I24-L67 HydrophobicContact CD1-CB 4.43Å; I24-L67 HydrophobicContact CG1-CB 3.98Å; I24-L67 HydrophobicContact CG1-CD1 4.1Å; L27-L67 HydrophobicContact CD2-CD1 3.98Å; L63-L67 WeakPolarHBondContact O-CB 3.38Å; L63-L67 WeakPolarHBondContact O-CG 3.37Å; L63-L67 PolarHBondContact O-N 2.93Å; C64-L67 PolarHBondContact O-N 2.88Å; L67-N71 WeakPolarHBondContact O-CB 3.3Å; L67-N71 VanDerWaalsContact O-CG 3.28Å; L67-N71 PolarHBondContact O-N 3.04Å; L67-N71 PolarHBondContact O-ND2 3.33Å
68	H	82.5	Confident	81.7	Confident	77 Å²	77	78.4 Å²	78.4	36%	0.356	37%	0.366	S	S	.	.	H	α-helix	trans	-62.3	-48.7	172.2	-90.2	-85.2	0	0	0	111.7	C64 N65 R70 N71 I72	C64-H68 PolarHBondContact O-CD2 2.84Å; C64-H68 VanDerWaalsContact O-CD2 3.31Å; C64-H68 PolarHBondContact O-N 2.82Å; N65-H68 PolarHBondContact O-N 3.04Å; H68-R70 PolarHBondContact O-N 3.07Å; H68-N71 PolarHBondContact O-N 2.83Å; H68-I72 VanDerWaalsContact O-CG1 3.27Å; H68-I72 WeakPolarHBondContact O-CG1 3.41Å; H68-I72 PolarHBondContact O-N 3.49Å
69	H	80.1	Confident	80	Confident	93 Å²	93	73 Å²	73	43%	0.431	35%	0.353	S	S	.	.	H	α-helix	trans	-61.2	-41.2	176.6	-71.8	-49.8	0	0	0	112.8	N65 E66 I72 K73	N65-H69 PolarHBondContact O-CD2 2.92Å; N65-H69 PolarHBondContact O-N 2.9Å; E66-H69 PolarHBondContact O-N 3.47Å; H69-I72 PolarHBondContact O-N 2.93Å; H69-K73 VanDerWaalsContact O-CB 3.29Å; H69-K73 WeakPolarHBondContact O-CB 3.23Å; H69-K73 PolarHBondContact O-N 3.09Å
70	R	81.3	Confident	77.8	Confident	100 Å²	100	77.1 Å²	77.1	38%	0.377	38%	0.38	S	S	.	.	H	α-helix	trans	-62	-43.9	174.2	-73.6	172.3	-173.2	-175.1	7.3	112.2	F9 E66 H68 K73 K74	F9-R70 VanDerWaalsContact CD2-NH2 3.3Å; E66-R70 WeakPolarHBondContact O-CB 3.35Å; E66-R70 WeakPolarHBondContact O-CG 3.22Å; E66-R70 PolarHBondContact O-N 3.26Å; H68-R70 PolarHBondContact O-N 3.07Å; R70-K73 PolarHBondContact O-N 3.23Å; R70-K74 VanDerWaalsContact O-CB 3.3Å; R70-K74 WeakPolarHBondContact O-CB 3.27Å; R70-K74 PolarHBondContact O-N 3.45Å
71	N	79	Confident	76	Confident	86 Å²	86	82.4 Å²	82.4	46%	0.46	40%	0.404	S	S	.	.	H	α-helix	trans	-65.4	-43.5	177.2	-76.4	-23.5	0	0	0	112.2	L67 H68 K74 R75	L67-N71 WeakPolarHBondContact O-CB 3.3Å; L67-N71 VanDerWaalsContact O-CG 3.28Å; L67-N71 PolarHBondContact O-N 3.04Å; L67-N71 PolarHBondContact O-ND2 3.33Å; H68-N71 PolarHBondContact O-N 2.83Å; N71-K74 PolarHBondContact O-N 2.97Å; N71-R75 WeakPolarHBondContact O-CB 3.12Å; N71-R75 PolarHBondContact O-N 3.42Å
72	I	73.8	Confident	74.1	Confident	95 Å²	95	82.1 Å²	82.1	49%	0.487	41%	0.406	S	S	.	.	H	α-helix	trans	-60	-49.7	174.6	-68.1	163	0	0	0	110.1	H68 H69 K74 R75 S76	H68-I72 VanDerWaalsContact O-CG1 3.27Å; H68-I72 WeakPolarHBondContact O-CG1 3.41Å; H68-I72 PolarHBondContact O-N 3.49Å; H69-I72 PolarHBondContact O-N 2.93Å; I72-K74 PolarHBondContact O-N 2.87Å; I72-R75 PolarHBondContact O-N 3.43Å; I72-S76 PolarHBondContact O-N 3.04Å; I72-S76 PolarHBondContact O-OG 3.44Å; I72-S76 VanDerWaalsContact O-OG 3.14Å
73	K	77.2	Confident	72	Confident	147 Å²	147	82.9 Å²	82.9	64%	0.639	41%	0.414	S	S	*	.	H	α-helix	trans	-61	-42.5	178.9	-173.5	173.8	-178.5	178.8	0	112	H69 R70 S76 L77	H69-K73 VanDerWaalsContact O-CB 3.29Å; H69-K73 WeakPolarHBondContact O-CB 3.23Å; H69-K73 PolarHBondContact O-N 3.09Å; R70-K73 PolarHBondContact O-N 3.23Å; K73-S76 PolarHBondContact O-N 3.38Å; K73-L77 HydrophobicContact CG-CD1 4.02Å; K73-L77 WeakPolarHBondContact O-CD1 3.43Å; K73-L77 PolarHBondContact O-N 3.27Å
74	K	77.6	Confident	69.9	Low	128 Å²	128	92.2 Å²	92.2	56%	0.557	45%	0.454	S	S	*	.	H	α-helix	trans	-61	-49.6	175.4	-178.4	177	172.2	-178	0	111.3	R70 N71 I72 S76 L77 E78	R70-K74 VanDerWaalsContact O-CB 3.3Å; R70-K74 WeakPolarHBondContact O-CB 3.27Å; R70-K74 PolarHBondContact O-N 3.45Å; N71-K74 PolarHBondContact O-N 2.97Å; I72-K74 PolarHBondContact O-N 2.87Å; K74-S76 VanDerWaalsContact C-N 3.35Å; K74-S76 PolarHBondContact O-N 3.16Å; K74-L77 PolarHBondContact O-N 3.35Å; K74-L77 VanDerWaalsContact O-N 3.14Å; K74-E78 WeakPolarHBondContact CE-OE1 3.48Å; K74-E78 WeakPolarHBondContact CG-OE1 3.24Å; K74-E78 IonicContact NZ-OE1 3.98Å; K74-E78 WeakPolarHBondContact O-CG 3.19Å; K74-E78 PolarHBondContact O-N 2.96Å
75	R	66.1	Low	67.4	Low	122 Å²	122	102.2 Å²	102.2	46%	0.46	49%	0.49	S	S	.	.	H	α-helix	trans	-57.9	-45.3	177.2	-166.7	167.3	81.7	153.3	7.2	111.4	N71 I72 L77 E78 V79 N129	N71-R75 WeakPolarHBondContact O-CB 3.12Å; N71-R75 PolarHBondContact O-N 3.42Å; I72-R75 PolarHBondContact O-N 3.43Å; R75-L77 PolarHBondContact O-N 3.21Å; R75-E78 PolarHBondContact O-N 3.46Å; R75-V79 VanDerWaalsContact O-CG2 3.3Å; R75-V79 WeakPolarHBondContact O-CG2 3.35Å; R75-V79 PolarHBondContact O-N 2.87Å; R75-N129 PolarHBondContact NH1-OD1 2.92Å; R75-N129 PolarHBondContact NH2-OD1 3.23Å
76	S	66.4	Low	65.4	Low	65 Å²	65	102.2 Å²	102.2	46%	0.455	49%	0.486	S	S	.	.	H	α-helix	trans	-62.8	-39.4	175.6	-62.5	0	0	0	0	113.1	I72 K73 K74 C80	I72-S76 PolarHBondContact O-N 3.04Å; I72-S76 PolarHBondContact O-OG 3.44Å; I72-S76 VanDerWaalsContact O-OG 3.14Å; K73-S76 PolarHBondContact O-N 3.38Å; K74-S76 VanDerWaalsContact C-N 3.35Å; K74-S76 PolarHBondContact O-N 3.16Å; S76-C80 PolarHBondContact O-N 3Å; S76-C80 VanDerWaalsContact O-N 3.15Å; S76-C80 PolarHBondContact O-SG 3.02Å; S76-C80 VanDerWaalsContact O-SG 3.4Å
77	L	62.7	Low	63.5	Low	88 Å²	88	109.5 Å²	109.5	46%	0.461	52%	0.52	S	S	.	.	H	α-helix	trans	-68	-38.3	175.4	-96.9	76.5	0	0	0	112.5	K73 K74 R75 C80 K81	K73-L77 HydrophobicContact CG-CD1 4.02Å; K73-L77 WeakPolarHBondContact O-CD1 3.43Å; K73-L77 PolarHBondContact O-N 3.27Å; K74-L77 PolarHBondContact O-N 3.35Å; K74-L77 VanDerWaalsContact O-N 3.14Å; R75-L77 PolarHBondContact O-N 3.21Å; L77-C80 PolarHBondContact O-N 2.97Å; L77-K81 WeakPolarHBondContact O-CG 3.44Å; L77-K81 PolarHBondContact O-N 3.43Å
78	E	59.9	Low	61.7	Low	93 Å²	93	118 Å²	118	44%	0.435	56%	0.556	S	S	.	*	H	α-helix	trans	-66.2	-41.7	176.8	-73.4	169.2	-178.3	0	0	111.4	K74 R75 C80 K81 N82	K74-E78 WeakPolarHBondContact CE-OE1 3.48Å; K74-E78 WeakPolarHBondContact CG-OE1 3.24Å; K74-E78 IonicContact NZ-OE1 3.98Å; K74-E78 WeakPolarHBondContact O-CG 3.19Å; K74-E78 PolarHBondContact O-N 2.96Å; R75-E78 PolarHBondContact O-N 3.46Å; E78-C80 PolarHBondContact O-N 2.68Å; E78-K81 PolarHBondContact O-N 3.46Å; E78-K81 VanDerWaalsContact O-N 3.16Å; E78-N82 PolarHBondContact O-N 3.33Å
79	V	57.2	Low	59.8	Low	67 Å²	67	121.4 Å²	121.4	41%	0.406	57%	0.569	S	S	.	*	H	α-helix	trans	-59.3	-32.4	171.7	169.8	0	0	0	0	112.4	R75 K86	R75-V79 VanDerWaalsContact O-CG2 3.3Å; R75-V79 WeakPolarHBondContact O-CG2 3.35Å; R75-V79 PolarHBondContact O-N 2.87Å; V79-K86 PolarHBondContact O-NZ 2.86Å
80	C	48.7	Very low	58.5	Low	86 Å²	86	118.5 Å²	118.5	58%	0.581	56%	0.56	S	S	*	*	H	α-helix	trans	-80.4	-33.3	174.5	-71.9	0	0	0	0	113.6	S76 L77 E78 S83	S76-C80 PolarHBondContact O-N 3Å; S76-C80 VanDerWaalsContact O-N 3.15Å; S76-C80 PolarHBondContact O-SG 3.02Å; S76-C80 VanDerWaalsContact O-SG 3.4Å; L77-C80 PolarHBondContact O-N 2.97Å; E78-C80 PolarHBondContact O-N 2.68Å; C80-S83 WeakPolarHBondContact O-CB 3.32Å; C80-S83 PolarHBondContact O-N 3.38Å; C80-S83 PolarHBondContact O-OG 3.43Å
81	K	56	Low	57.4	Low	157 Å²	157	117 Å²	117	68%	0.683	57%	0.565	S	S	*	*	H	α-helix	trans	-73.6	-33.1	178.6	-75.3	176.9	179.6	-176	0	113	L77 E78 S83	L77-K81 WeakPolarHBondContact O-CG 3.44Å; L77-K81 PolarHBondContact O-N 3.43Å; E78-K81 PolarHBondContact O-N 3.46Å; E78-K81 VanDerWaalsContact O-N 3.16Å; K81-S83 PolarHBondContact O-N 2.83Å
82	N	53	Low	56.4	Low	119 Å²	119	119.1 Å²	119.1	64%	0.636	58%	0.575	S	S	*	*	G	3₁₀ helix	trans	-77.3	19.9	175.1	-67.8	-4.6	0	0	0	113.2	E78 K84	E78-N82 PolarHBondContact O-N 3.33Å; N82-K84 VanDerWaalsContact C-N 3.33Å; N82-K84 PolarHBondContact O-N 2.89Å
83	S	46.7	Very low	55.6	Low	62 Å²	62	117.7 Å²	117.7	43%	0.434	57%	0.57	S	S	.	*	G	3₁₀ helix	trans	-71.1	-18.6	-178.6	50	0	0	0	0	115	C80 K81 W85 K86	C80-S83 WeakPolarHBondContact O-CB 3.32Å; C80-S83 PolarHBondContact O-N 3.38Å; C80-S83 PolarHBondContact O-OG 3.43Å; K81-S83 PolarHBondContact O-N 2.83Å; S83-W85 PolarHBondContact O-N 2.87Å; S83-K86 WeakPolarHBondContact O-CB 2.97Å; S83-K86 PolarHBondContact O-N 3.41Å
84	K	48	Very low	54.8	Low	198 Å²	198	114.3 Å²	114.3	86%	0.861	56%	0.559	S	S	*	*	G	3₁₀ helix	trans	-61.8	-12	-177.2	-158.9	172.2	-177	179.2	0	114.9	N82	N82-K84 VanDerWaalsContact C-N 3.33Å; N82-K84 PolarHBondContact O-N 2.89Å
85	W	38.5	Very low	54.1	Low	227 Å²	227	113.6 Å²	113.6	86%	0.86	56%	0.558	S	S	*	*	G	3₁₀ helix	trans	-107.2	7	177.6	-63.7	84.3	0	0	0	113.7	S83	S83-W85 PolarHBondContact O-N 2.87Å
86	K	43.8	Very low	53.8	Low	87 Å²	87	112.2 Å²	112.2	38%	0.378	56%	0.555	S	S	.	*			trans	-83	-34	-166.2	-74	-174.1	-174.7	179.8	0	115.6	V79 S83 K88 K89 S90	V79-K86 PolarHBondContact O-NZ 2.86Å; S83-K86 WeakPolarHBondContact O-CB 2.97Å; S83-K86 PolarHBondContact O-N 3.41Å; K86-K88 VanDerWaalsContact C-N 3.26Å; K86-K88 PolarHBondContact O-N 3.34Å; K86-K89 PolarHBondContact O-N 2.92Å; K86-S90 VanDerWaalsContact O-CB 3.31Å; K86-S90 WeakPolarHBondContact O-CB 3.34Å; K86-S90 PolarHBondContact O-N 3.15Å
87	E	49.2	Very low	53.5	Low	182 Å²	182	112.6 Å²	112.6	85%	0.85	55%	0.552	S	S	*	*	H	α-helix	trans	-50	-35	-165.1	-66.6	179.1	166.4	0	0	116.3
88	K	48.3	Very low	53.3	Low	199 Å²	199	110.4 Å²	110.4	87%	0.865	54%	0.544	S	S	*	.	H	α-helix	trans	-95.6	-22.3	178.9	-68.4	-174.8	178.2	-179.3	0	115.2	K86	K86-K88 VanDerWaalsContact C-N 3.26Å; K86-K88 PolarHBondContact O-N 3.34Å
89	K	43	Very low	53.1	Low	148 Å²	148	108.8 Å²	108.8	64%	0.643	54%	0.538	S	S	*	.	H	α-helix	trans	-94.1	-27.3	177.8	-74.2	-175.8	178.8	-179.7	0	112.3	K86 S91	K86-K89 PolarHBondContact O-N 2.92Å; K89-S91 VanDerWaalsContact C-N 3.32Å
90	S	51.4	Low	53	Low	32 Å²	32	106.4 Å²	106.4	22%	0.224	52%	0.523	C	S	.	.	H	α-helix	trans	-64.4	-40.2	174	89	0	0	0	0	109.3	K86 I92 V93 D94	K86-S90 VanDerWaalsContact O-CB 3.31Å; K86-S90 WeakPolarHBondContact O-CB 3.34Å; K86-S90 PolarHBondContact O-N 3.15Å; S90-I92 VanDerWaalsContact C-N 3.3Å; S90-I92 PolarHBondContact O-N 3.24Å; S90-V93 CarbonylContact O-C 3.31Å; S90-V93 PolarHBondContact O-N 2.99Å; S90-D94 VanDerWaalsContact C-OD2 3.22Å; S90-D94 WeakPolarHBondContact CB-OD2 3.42Å; S90-D94 WeakPolarHBondContact O-CA 3.17Å; S90-D94 WeakPolarHBondContact O-CB 3.49Å; S90-D94 PolarHBondContact O-N 3.29Å; S90-D94 PolarHBondContact OG-OD2 3.16Å
91	S	59	Low	53.3	Low	69 Å²	69	109.7 Å²	109.7	48%	0.483	53%	0.53	S	S	.	.	H	α-helix	trans	-42.2	-48.2	176.4	171	0	0	0	0	115	K89 Q95	K89-S91 VanDerWaalsContact C-N 3.32Å; S91-Q95 WeakPolarHBondContact O-CB 3.21Å; S91-Q95 PolarHBondContact O-N 2.89Å
92	I	58.9	Low	53.2	Low	131 Å²	131	110.7 Å²	110.7	67%	0.672	53%	0.529	S	S	*	.	H	α-helix	trans	-79.6	-31.6	-179.8	-161.8	144.9	0	0	0	113.7	S90 F96	S90-I92 VanDerWaalsContact C-N 3.3Å; S90-I92 PolarHBondContact O-N 3.24Å; I92-F96 VanDerWaalsContact O-CB 3.28Å; I92-F96 WeakPolarHBondContact O-CB 3.15Å; I92-F96 PolarHBondContact O-N 2.97Å
93	V	56.9	Low	53	Low	65 Å²	65	109.6 Å²	109.6	39%	0.394	52%	0.52	S	S	.	.	H	α-helix	trans	-77.7	-42.7	177.9	179.9	0	0	0	0	110.9	S90 Q95 F96 L97	S90-V93 CarbonylContact O-C 3.31Å; S90-V93 PolarHBondContact O-N 2.99Å; V93-Q95 VanDerWaalsContact C-N 3.33Å; V93-F96 PolarHBondContact O-N 3.31Å; V93-L97 HydrophobicContact CG1-CD1 3.92Å; V93-L97 HydrophobicContact CG1-CG 4.32Å; V93-L97 VanDerWaalsContact O-CB 3.24Å; V93-L97 WeakPolarHBondContact O-CB 3.46Å; V93-L97 WeakPolarHBondContact O-CG 3.22Å; V93-L97 PolarHBondContact O-N 3.37Å
94	D	58.7	Low	53	Low	76 Å²	76	111.7 Å²	111.7	41%	0.406	53%	0.527	S	S	.	.	H	α-helix	trans	-63.2	-37.8	171.3	-61.5	-24.2	0	0	0	110.7	S90 S98	S90-D94 VanDerWaalsContact C-OD2 3.22Å; S90-D94 WeakPolarHBondContact CB-OD2 3.42Å; S90-D94 WeakPolarHBondContact O-CA 3.17Å; S90-D94 WeakPolarHBondContact O-CB 3.49Å; S90-D94 PolarHBondContact O-N 3.29Å; S90-D94 PolarHBondContact OG-OD2 3.16Å; D94-S98 WeakPolarHBondContact O-CA 3.08Å; D94-S98 WeakPolarHBondContact O-CB 3.22Å; D94-S98 PolarHBondContact O-N 3.01Å; D94-S98 PolarHBondContact O-OG 2.83Å
95	Q	62.9	Low	53.1	Low	112 Å²	112	104.2 Å²	104.2	52%	0.523	50%	0.498	S	S	.	.	H	α-helix	trans	-69.2	-44.5	173.4	-172.1	147.9	6.6	0	0	111	S91 V93 L97 S98 D99	S91-Q95 WeakPolarHBondContact O-CB 3.21Å; S91-Q95 PolarHBondContact O-N 2.89Å; V93-Q95 VanDerWaalsContact C-N 3.33Å; Q95-L97 PolarHBondContact O-N 2.83Å; Q95-S98 WeakPolarHBondContact O-CB 3.47Å; Q95-S98 PolarHBondContact O-N 3.42Å; Q95-D99 VanDerWaalsContact O-CB 3.31Å; Q95-D99 WeakPolarHBondContact O-CB 3.38Å; Q95-D99 PolarHBondContact O-N 3.11Å
96	F	60.4	Low	53.6	Low	94 Å²	94	98.6 Å²	98.6	41%	0.412	48%	0.484	S	S	.	.	H	α-helix	trans	-63.5	-39	173.8	-175	-107.6	0	0	0	113.3	I92 V93 D99 L100 L235	I92-F96 VanDerWaalsContact O-CB 3.28Å; I92-F96 WeakPolarHBondContact O-CB 3.15Å; I92-F96 PolarHBondContact O-N 2.97Å; V93-F96 PolarHBondContact O-N 3.31Å; F96-D99 PolarHBondContact O-N 2.88Å; F96-L100 HydrophobicContact CD1-CD1 3.74Å; F96-L100 HydrophobicContact CE1-CD1 3.47Å; F96-L100 VanDerWaalsContact CE1-CD1 3.47Å; F96-L100 HydrophobicContact CE1-CG 4.32Å; F96-L100 HydrophobicContact CZ-CD1 4.08Å; F96-L100 WeakPolarHBondContact O-CB 3.25Å; F96-L100 WeakPolarHBondContact O-CG 3.31Å; F96-L100 PolarHBondContact O-N 3.11Å; F96-L235 HydrophobicContact CZ-CD1 4.12Å
97	L	59.9	Low	53.8	Low	73 Å²	73	99.6 Å²	99.6	38%	0.382	49%	0.486	S	S	.	.	H	α-helix	trans	-70.3	-37.9	174.4	-73.5	172.5	0	0	0	111.6	V93 Q95 D99 L100 Q101	V93-L97 HydrophobicContact CG1-CD1 3.92Å; V93-L97 HydrophobicContact CG1-CG 4.32Å; V93-L97 VanDerWaalsContact O-CB 3.24Å; V93-L97 WeakPolarHBondContact O-CB 3.46Å; V93-L97 WeakPolarHBondContact O-CG 3.22Å; V93-L97 PolarHBondContact O-N 3.37Å; Q95-L97 PolarHBondContact O-N 2.83Å; L97-D99 VanDerWaalsContact C-N 3.31Å; L97-L100 HydrophobicContact CD2-CD1 4.3Å; L97-L100 CarbonylContact O-C 3.54Å; L97-L100 PolarHBondContact O-N 3.43Å; L97-Q101 WeakPolarHBondContact O-CB 3.15Å; L97-Q101 WeakPolarHBondContact O-CG 3.45Å; L97-Q101 PolarHBondContact O-N 3.39Å
98	S	58.8	Low	53.6	Low	41 Å²	41	94.3 Å²	94.3	29%	0.287	47%	0.467	S	S	.	.	H	α-helix	trans	-63.7	-38.8	171.3	-64.1	0	0	0	0	110.9	D94 Q95 Q101 R102	D94-S98 WeakPolarHBondContact O-CA 3.08Å; D94-S98 WeakPolarHBondContact O-CB 3.22Å; D94-S98 PolarHBondContact O-N 3.01Å; D94-S98 PolarHBondContact O-OG 2.83Å; Q95-S98 WeakPolarHBondContact O-CB 3.47Å; Q95-S98 PolarHBondContact O-N 3.42Å; S98-Q101 CarbonylContact O-C 3.51Å; S98-Q101 PolarHBondContact O-N 3.15Å; S98-R102 VanDerWaalsContact O-CB 3.3Å; S98-R102 WeakPolarHBondContact O-CB 3.47Å; S98-R102 VanDerWaalsContact O-CG 3.23Å; S98-R102 WeakPolarHBondContact O-CG 3.25Å; S98-R102 PolarHBondContact O-N 2.77Å
99	D	55.4	Low	53.6	Low	59 Å²	59	94.3 Å²	94.3	32%	0.316	47%	0.467	S	S	.	.	H	α-helix	trans	-76.6	-27.3	179.6	-65.6	-16.4	0	0	0	111.6	Q95 F96 L97 R102 Q103	Q95-D99 VanDerWaalsContact O-CB 3.31Å; Q95-D99 WeakPolarHBondContact O-CB 3.38Å; Q95-D99 PolarHBondContact O-N 3.11Å; F96-D99 PolarHBondContact O-N 2.88Å; L97-D99 VanDerWaalsContact C-N 3.31Å; D99-R102 IonicContact OD1-NH1 2.8Å; D99-R102 PolarHBondContact OD1-NH1 3.06Å; D99-Q103 WeakPolarHBondContact O-CB 3.21Å; D99-Q103 WeakPolarHBondContact O-CG 3.11Å; D99-Q103 PolarHBondContact O-N 3.22Å; D99-Q103 PolarHBondContact O-NE2 2.86Å
100	L	55.7	Low	53.5	Low	18 Å²	18	89.8 Å²	89.8	9%	0.094	46%	0.455	C	S	.	.	H	α-helix	trans	-71.4	-28.7	165.1	-83	166.8	0	0	0	113.5	F96 L97 Q103	F96-L100 HydrophobicContact CD1-CD1 3.74Å; F96-L100 HydrophobicContact CE1-CD1 3.47Å; F96-L100 VanDerWaalsContact CE1-CD1 3.47Å; F96-L100 HydrophobicContact CE1-CG 4.32Å; F96-L100 HydrophobicContact CZ-CD1 4.08Å; F96-L100 WeakPolarHBondContact O-CB 3.25Å; F96-L100 WeakPolarHBondContact O-CG 3.31Å; F96-L100 PolarHBondContact O-N 3.11Å; L97-L100 HydrophobicContact CD2-CD1 4.3Å; L97-L100 CarbonylContact O-C 3.54Å; L97-L100 PolarHBondContact O-N 3.43Å; L100-Q103 VanDerWaalsContact O-O 3.13Å
101	Q	54.5	Low	53.1	Low	154 Å²	154	95.7 Å²	95.7	72%	0.72	48%	0.484	S	S	*	.	H	α-helix	trans	-85.7	-24.6	174	-76.9	179.5	-26.1	0	0	113.1	L97 S98	L97-Q101 WeakPolarHBondContact O-CB 3.15Å; L97-Q101 WeakPolarHBondContact O-CG 3.45Å; L97-Q101 PolarHBondContact O-N 3.39Å; S98-Q101 CarbonylContact O-C 3.51Å; S98-Q101 PolarHBondContact O-N 3.15Å
102	R	54.5	Low	52.5	Low	178 Å²	178	97.6 Å²	97.6	67%	0.672	49%	0.488	S	S	*	.	H	α-helix	trans	-81.2	-30.4	173.7	-79.6	176.1	177.5	122.8	4.8	113	S98 D99 D104	S98-R102 VanDerWaalsContact O-CB 3.3Å; S98-R102 WeakPolarHBondContact O-CB 3.47Å; S98-R102 VanDerWaalsContact O-CG 3.23Å; S98-R102 WeakPolarHBondContact O-CG 3.25Å; S98-R102 PolarHBondContact O-N 2.77Å; D99-R102 IonicContact OD1-NH1 2.8Å; D99-R102 PolarHBondContact OD1-NH1 3.06Å; R102-D104 PolarHBondContact O-N 2.82Å
103	Q	48.6	Very low	52.2	Low	97 Å²	97	95.8 Å²	95.8	45%	0.453	48%	0.479	S	S	.	.	S	Bend	trans	-69.3	124.1	161.3	-74.7	165.9	82.5	0	0	107	D99 L100 V105	D99-Q103 WeakPolarHBondContact O-CB 3.21Å; D99-Q103 WeakPolarHBondContact O-CG 3.11Å; D99-Q103 PolarHBondContact O-N 3.22Å; D99-Q103 PolarHBondContact O-NE2 2.86Å; L100-Q103 VanDerWaalsContact O-O 3.13Å; Q103-V105 HydrophobicContact CB-CG2 4.02Å; Q103-V105 PolarHBondContact O-N 3.12Å
104	D	46.1	Very low	51.8	Low	106 Å²	106	96.2 Å²	96.2	57%	0.567	48%	0.475	S	S	*	.			trans	-65.4	67.5	175.5	-75.7	-57.1	0	0	0	111	R102 D106 I318	R102-D104 PolarHBondContact O-N 2.82Å; D104-D106 PolarHBondContact O-N 2.91Å; D104-I318 HydrophobicContact CB-CG2 3.65Å; D104-I318 WeakPolarHBondContact OD2-CG2 3.39Å
105	V	50.3	Low	51.7	Low	41 Å²	41	95.9 Å²	95.9	25%	0.248	47%	0.473	C	S	.	.			trans	-90	96.4	172.8	-177.8	0	0	0	0	106.5	Q103 W107	Q103-V105 HydrophobicContact CB-CG2 4.02Å; Q103-V105 PolarHBondContact O-N 3.12Å; V105-W107 VanDerWaalsContact C-N 3.34Å; V105-W107 VanDerWaalsContact O-CD1 3.3Å; V105-W107 PolarHBondContact O-N 2.86Å
106	D	49.5	Very low	51	Low	108 Å²	108	96 Å²	96	58%	0.578	48%	0.477	S	S	*	.			trans	-55.1	104.3	161.5	-88.2	-48.8	0	0	0	108	D104 R242	D104-D106 PolarHBondContact O-N 2.91Å; D106-R242 PolarHBondContact O-NH1 3.4Å
107	W	48.3	Very low	50.5	Low	108 Å²	108	98.9 Å²	98.9	41%	0.409	50%	0.497	S	S	.	.			trans	-68.7	127.3	168.5	-66	97.1	0	0	0	107.3	V105 K109 I124	V105-W107 VanDerWaalsContact C-N 3.34Å; V105-W107 VanDerWaalsContact O-CD1 3.3Å; V105-W107 PolarHBondContact O-N 2.86Å; W107-K109 PolarHBondContact O-N 3Å; W107-I124 HydrophobicContact CE3-CD1 4Å; W107-I124 HydrophobicContact CE3-CG1 4.29Å; W107-I124 HydrophobicContact CE3-CG2 3.86Å; W107-I124 HydrophobicContact CZ3-CB 4.35Å; W107-I124 HydrophobicContact CZ3-CD1 4.21Å; W107-I124 HydrophobicContact CZ3-CG1 3.98Å; W107-I124 HydrophobicContact CZ3-CG2 3.5Å
108	P	45.3	Very low	50.5	Low	72 Å²	72	100.8 Å²	100.8	47%	0.468	51%	0.507	S	S	.	.			trans	-59.8	111.5	173.8	25	-32.3	0	0	0	108.3	S110 I124	P108-S110 PolarHBondContact O-N 3.39Å; P108-I124 VanDerWaalsContact CD-CD1 3.48Å; P108-I124 HydrophobicContact CG-CD1 3.47Å; P108-I124 VanDerWaalsContact CG-CD1 3.47Å
109	K	48.1	Very low	50.3	Low	198 Å²	198	104.3 Å²	104.3	86%	0.861	52%	0.523	S	S	*	.			trans	-74.3	43.3	171.6	-63.1	179.9	-178.5	174.1	0	110.6	W107 N111	W107-K109 PolarHBondContact O-N 3Å; K109-N111 PolarHBondContact O-N 3.48Å
110	S	40.4	Very low	50	Low	54 Å²	54	103.9 Å²	103.9	38%	0.378	52%	0.522	S	S	.	.			trans	-73.6	109.5	169.8	55.8	0	0	0	0	107.2	P108 N112 L113	P108-S110 PolarHBondContact O-N 3.39Å; S110-N112 WeakPolarHBondContact CB-O 3.36Å; S110-N112 CarbonylContact O-C 3.43Å; S110-N112 PolarHBondContact O-N 2.91Å; S110-N112 PolarHBondContact OG-O 3.14Å; S110-N112 VanDerWaalsContact OG-O 3.05Å; S110-L113 WeakPolarHBondContact O-CD1 3.3Å
111	N	42.3	Very low	50.1	Low	156 Å²	156	107.5 Å²	107.5	83%	0.834	54%	0.535	S	S	*	.	S	Bend	trans	-58.7	-15.4	171.9	-75.3	-14	0	0	0	112.2	K109	K109-N111 PolarHBondContact O-N 3.48Å
112	N	47.8	Very low	50.2	Low	108 Å²	108	101.3 Å²	101.3	58%	0.578	51%	0.509	S	S	*	.			trans	-89.8	93.8	163.5	-57.8	17.7	0	0	0	107.9	S110	S110-N112 WeakPolarHBondContact CB-O 3.36Å; S110-N112 CarbonylContact O-C 3.43Å; S110-N112 PolarHBondContact O-N 2.91Å; S110-N112 PolarHBondContact OG-O 3.14Å; S110-N112 VanDerWaalsContact OG-O 3.05Å
113	L	51.4	Low	50.3	Low	93 Å²	93	97.2 Å²	97.2	49%	0.487	51%	0.506	S	S	.	.	S	Bend	trans	-83.8	-25.7	166.8	-76.9	89.7	0	0	0	111.8	S110 S122 E125	S110-L113 WeakPolarHBondContact O-CD1 3.3Å; L113-S122 WeakPolarHBondContact O-CB 3.3Å; L113-S122 PolarHBondContact O-N 3.4Å; L113-S122 VanDerWaalsContact O-N 3.12Å; L113-E125 WeakPolarHBondContact CB-OE2 3.37Å
114	Y	49.8	Very low	50.6	Low	75 Å²	75	94.7 Å²	94.7	29%	0.294	50%	0.495	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	131.9	171.2	-168.9	-100.6	0	0	0	108.6	D116 N119 Y121	Y114-D116 WeakPolarHBondContact CD1-OD1 3.4Å; Y114-D116 PolarHBondContact O-N 2.91Å; Y114-N119 WeakPolarHBondContact OH-CA 3.46Å; Y114-N119 WeakPolarHBondContact OH-CB 3.44Å; Y114-N119 PolarHBondContact OH-OD1 3.42Å; Y114-Y121 AromaticContact CD2-CD1 3.96Å; Y114-Y121 HydrophobicContact CD2-CD1 3.96Å; Y114-Y121 AromaticContact CD2-CE1 3.75Å; Y114-Y121 HydrophobicContact CD2-CE1 3.75Å; Y114-Y121 HydrophobicContact CE2-CE1 4.36Å; Y114-Y121 HydrophobicContact CE2-CE2 4.48Å
115	N	55.5	Low	51.1	Low	68 Å²	68	91.5 Å²	91.5	36%	0.364	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	103.8	168.7	-66.1	-11.1	0	0	0	107.9	D117 D118 N119 T120	N115-D117 PolarHBondContact O-N 3.43Å; N115-D118 HydrophobicContact CB-CB 4.29Å; N115-D118 PolarHBondContact O-N 3.29Å; N115-N119 WeakPolarHBondContact O-CA 3.33Å; N115-N119 PolarHBondContact O-N 3.14Å; N115-T120 WeakPolarHBondContact CB-O 3.39Å; N115-T120 PolarHBondContact N-O 3.47Å; N115-T120 PolarHBondContact O-N 3.31Å
116	D	48.4	Very low	51.6	Low	116 Å²	116	94.4 Å²	94.4	62%	0.62	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-32.9	176.8	-70.9	-42.7	0	0	0	111.9	Y114	Y114-D116 WeakPolarHBondContact CD1-OD1 3.4Å; Y114-D116 PolarHBondContact O-N 2.91Å
117	D	50.2	Low	52.2	Low	154 Å²	154	91.2 Å²	91.2	82%	0.824	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-38.7	-179.4	-52.1	-50.3	0	0	0	112.9	N115	N115-D117 PolarHBondContact O-N 3.43Å
118	D	59.9	Low	52.9	Low	112 Å²	112	90.3 Å²	90.3	60%	0.599	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.7	2.1	-171.6	-70.6	-31.3	0	0	0	113.9	N115 T120	N115-D118 HydrophobicContact CB-CB 4.29Å; N115-D118 PolarHBondContact O-N 3.29Å; D118-T120 PolarHBondContact O-N 2.93Å; D118-T120 PolarHBondContact O-OG1 2.96Å
119	N	53.5	Low	53.6	Low	116 Å²	116	87.8 Å²	87.8	62%	0.62	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.5	30.1	-168.9	-70.6	-73.4	0	0	0	114.3	Y114 N115	Y114-N119 WeakPolarHBondContact OH-CA 3.46Å; Y114-N119 WeakPolarHBondContact OH-CB 3.44Å; Y114-N119 PolarHBondContact OH-OD1 3.42Å; N115-N119 WeakPolarHBondContact O-CA 3.33Å; N115-N119 PolarHBondContact O-N 3.14Å
120	T	51.1	Low	54.1	Low	49 Å²	49	83.6 Å²	83.6	30%	0.301	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	128.6	-168.5	-63.1	0	0	0	0	110.9	N115 D118	N115-T120 WeakPolarHBondContact CB-O 3.39Å; N115-T120 PolarHBondContact N-O 3.47Å; N115-T120 PolarHBondContact O-N 3.31Å; D118-T120 PolarHBondContact O-N 2.93Å; D118-T120 PolarHBondContact O-OG1 2.96Å
121	Y	56.6	Low	55	Low	95 Å²	95	83.1 Å²	83.1	37%	0.373	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	139	170.2	-72.2	-69.3	0	0	0	111.6	Y114 E125 K126	Y114-Y121 AromaticContact CD2-CD1 3.96Å; Y114-Y121 HydrophobicContact CD2-CD1 3.96Å; Y114-Y121 AromaticContact CD2-CE1 3.75Å; Y114-Y121 HydrophobicContact CD2-CE1 3.75Å; Y114-Y121 HydrophobicContact CE2-CE1 4.36Å; Y114-Y121 HydrophobicContact CE2-CE2 4.48Å; Y121-E125 HydrophobicContact CD1-CB 4.32Å; Y121-E125 HydrophobicContact CD1-CG 3.67Å; Y121-E125 VanDerWaalsContact CD1-OE2 3.29Å; Y121-E125 WeakPolarHBondContact CD1-OE2 3.4Å; Y121-E125 HydrophobicContact CE1-CG 4.26Å; Y121-E125 WeakPolarHBondContact CE1-OE1 3.31Å; Y121-E125 HydrophobicContact CG-CG 4.21Å; Y121-K126 VanDerWaalsContact O-CE 3.3Å; Y121-K126 WeakPolarHBondContact O-CE 3.47Å
122	S	57.7	Low	55.9	Low	23 Å²	23	78.9 Å²	78.9	16%	0.161	41%	0.407	C	S	.	.			trans	-48.5	145.5	169.4	174.7	0	0	0	0	111.5	L113 I124 E125 K126	L113-S122 WeakPolarHBondContact O-CB 3.3Å; L113-S122 PolarHBondContact O-N 3.4Å; L113-S122 VanDerWaalsContact O-N 3.12Å; S122-I124 PolarHBondContact O-N 2.94Å; S122-E125 PolarHBondContact O-N 3.45Å; S122-K126 PolarHBondContact O-N 2.91Å
123	P	55.6	Low	56.4	Low	93 Å²	93	78.6 Å²	78.6	60%	0.604	40%	0.402	S	S	*	.	H	α-helix	trans	-51.8	-29.3	177	-28.3	35.5	0	0	0	114	L127	P123-L127 WeakPolarHBondContact O-CB 3.29Å; P123-L127 PolarHBondContact O-N 3.4Å
124	I	55.3	Low	56.6	Low	43 Å²	43	75.7 Å²	75.7	22%	0.221	39%	0.391	C	S	.	.	H	α-helix	trans	-67.2	-43.9	174.5	-71.6	159.3	0	0	0	111.7	W107 P108 S122 L127 L128	W107-I124 HydrophobicContact CE3-CD1 4Å; W107-I124 HydrophobicContact CE3-CG1 4.29Å; W107-I124 HydrophobicContact CE3-CG2 3.86Å; W107-I124 HydrophobicContact CZ3-CB 4.35Å; W107-I124 HydrophobicContact CZ3-CD1 4.21Å; W107-I124 HydrophobicContact CZ3-CG1 3.98Å; W107-I124 HydrophobicContact CZ3-CG2 3.5Å; P108-I124 VanDerWaalsContact CD-CD1 3.48Å; P108-I124 HydrophobicContact CG-CD1 3.47Å; P108-I124 VanDerWaalsContact CG-CD1 3.47Å; S122-I124 PolarHBondContact O-N 2.94Å; I124-L127 WeakPolarHBondContact O-CB 3.41Å; I124-L127 PolarHBondContact O-N 3.18Å; I124-L128 WeakPolarHBondContact O-CB 3.35Å; I124-L128 PolarHBondContact O-N 3.25Å
125	E	56.9	Low	56.7	Low	40 Å²	40	76.2 Å²	76.2	19%	0.187	40%	0.403	C	S	.	.	H	α-helix	trans	-78.3	-27.5	179.3	-176.9	163.1	-167.5	0	0	111.6	L113 Y121 S122 L128 N129	L113-E125 WeakPolarHBondContact CB-OE2 3.37Å; Y121-E125 HydrophobicContact CD1-CB 4.32Å; Y121-E125 HydrophobicContact CD1-CG 3.67Å; Y121-E125 VanDerWaalsContact CD1-OE2 3.29Å; Y121-E125 WeakPolarHBondContact CD1-OE2 3.4Å; Y121-E125 HydrophobicContact CE1-CG 4.26Å; Y121-E125 WeakPolarHBondContact CE1-OE1 3.31Å; Y121-E125 HydrophobicContact CG-CG 4.21Å; S122-E125 PolarHBondContact O-N 3.45Å; E125-L128 PolarHBondContact O-N 2.81Å; E125-N129 VanDerWaalsContact CG-ND2 3.33Å; E125-N129 WeakPolarHBondContact CG-ND2 3.49Å; E125-N129 WeakPolarHBondContact O-CB 2.85Å; E125-N129 PolarHBondContact O-N 3.24Å; E125-N129 PolarHBondContact O-ND2 3.31Å
126	K	60.2	Low	56.5	Low	101 Å²	101	79 Å²	79	44%	0.439	42%	0.416	S	S	.	.	H	α-helix	trans	-59.5	-52.3	163.9	-69.3	-176.4	178.2	179.4	0	110.7	Y121 S122 L128 N129 H130	Y121-K126 VanDerWaalsContact O-CE 3.3Å; Y121-K126 WeakPolarHBondContact O-CE 3.47Å; S122-K126 PolarHBondContact O-N 2.91Å; K126-L128 VanDerWaalsContact C-N 3.32Å; K126-L128 PolarHBondContact O-N 2.84Å; K126-N129 PolarHBondContact O-N 3.04Å; K126-H130 WeakPolarHBondContact O-CB 3.47Å; K126-H130 PolarHBondContact O-N 3.35Å; K126-H130 PolarHBondContact O-ND1 3.3Å
127	L	62.3	Low	56.5	Low	41 Å²	41	80.5 Å²	80.5	22%	0.215	42%	0.424	C	S	.	.	H	α-helix	trans	-55.6	-45.5	174.9	-174.3	78.2	0	0	0	111.4	P123 I124 H130 L131	P123-L127 WeakPolarHBondContact O-CB 3.29Å; P123-L127 PolarHBondContact O-N 3.4Å; I124-L127 WeakPolarHBondContact O-CB 3.41Å; I124-L127 PolarHBondContact O-N 3.18Å; L127-H130 PolarHBondContact O-N 2.98Å; L127-L131 HydrophobicContact CD2-CD1 4.47Å; L127-L131 HydrophobicContact CG-CD1 4.01Å; L127-L131 WeakPolarHBondContact O-CB 3.42Å; L127-L131 WeakPolarHBondContact O-CG 3.14Å; L127-L131 PolarHBondContact O-N 3.34Å
128	L	62.5	Low	56.3	Low	89 Å²	89	79 Å²	79	47%	0.466	41%	0.409	S	S	.	.	H	α-helix	trans	-65.6	-43.3	-179.1	-144.1	81.7	0	0	0	112.6	I124 E125 K126 L132	I124-L128 WeakPolarHBondContact O-CB 3.35Å; I124-L128 PolarHBondContact O-N 3.25Å; E125-L128 PolarHBondContact O-N 2.81Å; K126-L128 VanDerWaalsContact C-N 3.32Å; K126-L128 PolarHBondContact O-N 2.84Å; L128-L132 VanDerWaalsContact O-CG 3.31Å; L128-L132 WeakPolarHBondContact O-CG 3.4Å; L128-L132 PolarHBondContact O-N 3.5Å
129	N	59.8	Low	55.2	Low	19 Å²	19	82 Å²	82	10%	0.102	42%	0.42	C	S	.	.	H	α-helix	trans	-68	-39.6	175.6	-74.2	-65.1	0	0	0	111.4	R75 E125 K126 L132 E133	R75-N129 PolarHBondContact NH1-OD1 2.92Å; R75-N129 PolarHBondContact NH2-OD1 3.23Å; E125-N129 VanDerWaalsContact CG-ND2 3.33Å; E125-N129 WeakPolarHBondContact CG-ND2 3.49Å; E125-N129 WeakPolarHBondContact O-CB 2.85Å; E125-N129 PolarHBondContact O-N 3.24Å; E125-N129 PolarHBondContact O-ND2 3.31Å; K126-N129 PolarHBondContact O-N 3.04Å; N129-L132 WeakPolarHBondContact O-CB 3.41Å; N129-L132 PolarHBondContact O-N 2.78Å; N129-E133 WeakPolarHBondContact O-CG 3.12Å; N129-E133 PolarHBondContact O-N 2.72Å
130	H	58.5	Low	54.6	Low	110 Å²	110	82 Å²	82	51%	0.509	43%	0.427	S	S	.	.	H	α-helix	trans	-67.5	-37	176.4	-76.2	47.2	0	0	0	112.2	K126 L127 L132 E133 A134	K126-H130 WeakPolarHBondContact O-CB 3.47Å; K126-H130 PolarHBondContact O-N 3.35Å; K126-H130 PolarHBondContact O-ND1 3.3Å; L127-H130 PolarHBondContact O-N 2.98Å; H130-L132 VanDerWaalsContact C-N 3.33Å; H130-E133 PolarHBondContact O-N 2.95Å; H130-A134 VanDerWaalsContact O-CB 3.26Å; H130-A134 WeakPolarHBondContact O-CB 3.5Å; H130-A134 PolarHBondContact O-N 3.29Å
131	L	59.2	Low	53.7	Low	44 Å²	44	89.6 Å²	89.6	23%	0.23	46%	0.456	C	S	.	.	H	α-helix	trans	-62	-40.9	170.7	-75.6	167.9	0	0	0	111.2	L127 T135 W227	L127-L131 HydrophobicContact CD2-CD1 4.47Å; L127-L131 HydrophobicContact CG-CD1 4.01Å; L127-L131 WeakPolarHBondContact O-CB 3.42Å; L127-L131 WeakPolarHBondContact O-CG 3.14Å; L127-L131 PolarHBondContact O-N 3.34Å; L131-T135 VanDerWaalsContact O-CG2 3.27Å; L131-T135 WeakPolarHBondContact O-CG2 3.46Å; L131-T135 PolarHBondContact O-N 3.42Å; L131-T135 PolarHBondContact O-OG1 2.96Å; L131-W227 HydrophobicContact CD2-CH2 3.91Å; L131-W227 HydrophobicContact CD2-CZ2 3.98Å
132	L	61	Low	52.9	Low	68 Å²	68	90 Å²	90	36%	0.356	47%	0.472	S	S	.	.	H	α-helix	trans	-63.6	-47.8	173.4	-71.3	165.3	0	0	0	111.4	L128 N129 H130 T135 I136	L128-L132 VanDerWaalsContact O-CG 3.31Å; L128-L132 WeakPolarHBondContact O-CG 3.4Å; L128-L132 PolarHBondContact O-N 3.5Å; N129-L132 WeakPolarHBondContact O-CB 3.41Å; N129-L132 PolarHBondContact O-N 2.78Å; H130-L132 VanDerWaalsContact C-N 3.33Å; L132-T135 PolarHBondContact O-N 3.05Å; L132-T135 VanDerWaalsContact O-N 3.16Å; L132-T135 PolarHBondContact O-OG1 2.87Å; L132-I136 WeakPolarHBondContact O-CD1 3.29Å; L132-I136 VanDerWaalsContact O-CG1 3.32Å; L132-I136 WeakPolarHBondContact O-CG1 3.41Å; L132-I136 PolarHBondContact O-N 2.94Å
133	E	60	Low	51.7	Low	101 Å²	101	98.8 Å²	98.8	47%	0.472	51%	0.508	S	S	.	.	H	α-helix	trans	-61.8	-45.3	179.1	-73.7	167.3	-168	0	0	112.5	N129 H130 T135 I136 L137	N129-E133 WeakPolarHBondContact O-CG 3.12Å; N129-E133 PolarHBondContact O-N 2.72Å; H130-E133 PolarHBondContact O-N 2.95Å; E133-T135 PolarHBondContact O-N 3.03Å; E133-I136 PolarHBondContact O-N 3.02Å; E133-L137 PolarHBondContact O-N 3.46Å; E133-L137 VanDerWaalsContact O-N 3.16Å
134	A	54.5	Low	50.8	Low	32 Å²	32	102.3 Å²	102.3	26%	0.264	51%	0.513	S	S	.	.	H	α-helix	trans	-61.9	-26.2	175.4	0	0	0	0	0	113.5	H130 W227	H130-A134 VanDerWaalsContact O-CB 3.26Å; H130-A134 WeakPolarHBondContact O-CB 3.5Å; H130-A134 PolarHBondContact O-N 3.29Å; A134-W227 HydrophobicContact CB-CH2 4.31Å; A134-W227 HydrophobicContact CB-CZ2 3.69Å
135	T	52	Low	49.8	Very low	87 Å²	87	107.1 Å²	107.1	53%	0.534	54%	0.535	S	S	.	.	H	α-helix	trans	-80.5	-19.5	172.6	63.4	0	0	0	0	113.9	L131 L132 E133	L131-T135 VanDerWaalsContact O-CG2 3.27Å; L131-T135 WeakPolarHBondContact O-CG2 3.46Å; L131-T135 PolarHBondContact O-N 3.42Å; L131-T135 PolarHBondContact O-OG1 2.96Å; L132-T135 PolarHBondContact O-N 3.05Å; L132-T135 VanDerWaalsContact O-N 3.16Å; L132-T135 PolarHBondContact O-OG1 2.87Å; E133-T135 PolarHBondContact O-N 3.03Å
136	I	52.3	Low	48.6	Very low	126 Å²	126	114.7 Å²	114.7	65%	0.646	57%	0.57	S	S	*	*	H	α-helix	trans	-89	-34.5	-177.9	-67.6	163.5	0	0	0	111.6	L132 E133 K138	L132-I136 WeakPolarHBondContact O-CD1 3.29Å; L132-I136 VanDerWaalsContact O-CG1 3.32Å; L132-I136 WeakPolarHBondContact O-CG1 3.41Å; L132-I136 PolarHBondContact O-N 2.94Å; E133-I136 PolarHBondContact O-N 3.02Å; I136-K138 VanDerWaalsContact C-N 3.26Å; I136-K138 PolarHBondContact O-N 3.1Å; I136-K138 VanDerWaalsContact O-N 3.09Å
137	L	46.7	Very low	47.4	Very low	148 Å²	148	116 Å²	116	78%	0.775	59%	0.587	S	S	*	*	S	Bend	trans	-79.7	18.3	-171.2	-69.7	172.3	0	0	0	116.5	E133	E133-L137 PolarHBondContact O-N 3.46Å; E133-L137 VanDerWaalsContact O-N 3.16Å
138	K	45.8	Very low	45.9	Very low	121 Å²	121	118.9 Å²	118.9	53%	0.526	61%	0.61	S	S	.	*			trans	-108	68.5	179.2	-70.7	-172.9	178.5	177.7	0	113.4	I136 P140	I136-K138 VanDerWaalsContact C-N 3.26Å; I136-K138 PolarHBondContact O-N 3.1Å; I136-K138 VanDerWaalsContact O-N 3.09Å; K138-P140 WeakPolarHBondContact O-CD 3.41Å
139	E	37.1	Very low	44.6	Very low	176 Å²	176	123.3 Å²	123.3	82%	0.822	63%	0.629	S	S	*	*			trans	-95.8	107.3	160.4	-73.9	-164.3	162.1	0	0	110.8	K141	E139-K141 PolarHBondContact O-N 3.31Å
140	P	40.9	Very low	43.6	Very low	117 Å²	117	130.4 Å²	130.4	76%	0.76	66%	0.661	S	S	*	*			trans	-75.7	111.8	173.3	29.9	-32	0	0	0	110.3	K138 S142	K138-P140 WeakPolarHBondContact O-CD 3.41Å; P140-S142 VanDerWaalsContact C-N 3.29Å; P140-S142 PolarHBondContact O-N 2.79Å
141	K	32.3	Very low	42.5	Very low	208 Å²	208	133.7 Å²	133.7	90%	0.904	67%	0.674	S	S	*	*			trans	-69.9	81.6	168.8	-70.4	-178.2	179.5	175.1	0	110.6	E139 K143	E139-K141 PolarHBondContact O-N 3.31Å; K141-K143 PolarHBondContact O-N 3.3Å
142	S	39.3	Very low	41.4	Very low	104 Å²	104	138.1 Å²	138.1	73%	0.727	69%	0.693	S	S	*	*			trans	-74.3	108.3	174.2	48	0	0	0	0	111.4	P140	P140-S142 VanDerWaalsContact C-N 3.29Å; P140-S142 PolarHBondContact O-N 2.79Å
143	K	32.7	Very low	40	Very low	207 Å²	207	144.7 Å²	144.7	90%	0.9	71%	0.713	S	S	*	*			trans	-73.1	121.1	160.7	-68.6	176.5	178.4	175.8	0	109	K141	K141-K143 PolarHBondContact O-N 3.3Å
144	K	38.2	Very low	38.9	Very low	166 Å²	166	145.5 Å²	145.5	72%	0.722	72%	0.721	S	S	*	*			trans	-153.2	145	162.9	-72.8	-174.8	160.1	-88.2	0	107.5
145	E	34.4	Very low	38	Very low	144 Å²	144	150.9 Å²	150.9	67%	0.673	75%	0.745	S	S	*	*			cis	-160	145.8	-22.6	-119.2	155.4	147.8	0	0	104.2
146	Q	30.3	Very low	37.2	Very low	199 Å²	199	151.5 Å²	151.5	93%	0.93	75%	0.749	S	S	*	*			trans	-84.1	115.4	173	-76.5	178.4	-24.7	0	0	108.9
147	T	35.4	Very low	36.4	Very low	130 Å²	130	153 Å²	153	80%	0.798	76%	0.758	S	S	*	*			trans	-141	113.8	163.7	-20.2	0	0	0	0	110.2
148	S	31.1	Very low	35.8	Very low	100 Å²	100	154.5 Å²	154.5	70%	0.699	76%	0.761	S	S	*	*			trans	-67.7	142.6	165.5	46.5	0	0	0	0	110.7
149	E	35	Very low	35.2	Very low	183 Å²	183	153.4 Å²	153.4	86%	0.855	77%	0.767	S	S	*	*				-174	152.4	118.6	-102	169	-172.4	0	0	114.3
150	Q	38.2	Very low	34.8	Very low	167 Å²	167	150.1 Å²	150.1	78%	0.78	76%	0.759	S	S	*	*			trans	-57.7	148.9	-170.2	-64.8	144.2	-48.8	0	0	116.2
151	K	36.6	Very low	34.4	Very low	179 Å²	179	155.7 Å²	155.7	78%	0.778	77%	0.767	S	S	*	*				178.9	136.3	98.3	-94.9	174.2	-178.6	172.2	0	114.8
152	H	35.2	Very low	34.2	Very low	138 Å²	138	152.1 Å²	152.1	64%	0.639	76%	0.762	S	S	*	*			trans	56.7	115.6	147.4	-69.4	-58.7	0	0	0	119.9
153	R	33	Very low	33.9	Very low	205 Å²	205	159.1 Å²	159.1	77%	0.774	77%	0.773	S	S	*	*				75.2	136	87.1	-80.8	-163.8	-172.1	175.5	-1	112.5
154	D	36.5	Very low	33.7	Very low	118 Å²	118	153.5 Å²	153.5	63%	0.631	76%	0.759	S	S	*	*			cis	-152.5	163.5	13.7	-90.8	-41.1	0	0	0	112.3
155	N	35	Very low	33.4	Very low	145 Å²	145	152.6 Å²	152.6	78%	0.775	76%	0.762	S	S	*	*			trans	67.5	155.7	151.3	-70.4	-34.3	0	0	0	122
156	T	34.7	Very low	33.3	Very low	101 Å²	101	155.3 Å²	155.3	62%	0.62	77%	0.772	S	S	*	*			cis	-176.1	129.3	-34.9	-94.8	0	0	0	0	107.6
157	N	36.4	Very low	33.2	Very low	156 Å²	156	156.2 Å²	156.2	83%	0.834	77%	0.767	S	S	*	*			trans	149	128.4	145.8	-79.3	-43.3	0	0	0	114.8
158	Q	33.3	Very low	33.2	Very low	180 Å²	180	158.1 Å²	158.1	84%	0.841	77%	0.769	S	S	*	*			trans	-96.5	-160.7	169	-63	-172.3	-19.9	0	0	109.6
159	P	34.5	Very low	33.1	Very low	99 Å²	99	164.4 Å²	164.4	64%	0.643	78%	0.777	S	S	*	*			cis	-135.7	162	-11.6	19.1	7.4	0	0	0	118.3
160	T	28	Very low	32.9	Very low	107 Å²	107	163.9 Å²	163.9	66%	0.656	78%	0.775	S	S	*	*			trans	31.7	125.3	132.4	-42	0	0	0	0	122.3
161	Y	32.2	Very low	32.7	Very low	234 Å²	234	161 Å²	161	92%	0.918	77%	0.771	S	S	*	*			trans	-140.7	131	138.4	-75.9	-75.4	0	0	0	112.1
162	T	27.8	Very low	32.2	Very low	133 Å²	133	159.8 Å²	159.8	82%	0.816	77%	0.768	S	S	*	*			trans	-95.6	145.8	173.7	35.4	0	0	0	0	111.5
163	R	32.8	Very low	32.2	Very low	251 Å²	251	162.7 Å²	162.7	95%	0.947	78%	0.781	S	S	*	*			trans	-149.4	155.4	154.2	-164.5	161.4	168.6	169.5	-5.6	111.7
164	S	30	Very low	31.9	Very low	88 Å²	88	160.5 Å²	160.5	62%	0.615	78%	0.78	S	S	*	*			trans	-118.3	162.2	-151.7	48.3	0	0	0	0	114.6
165	N	32	Very low	31.6	Very low	147 Å²	147	163.3 Å²	163.3	79%	0.786	79%	0.789	S	S	*	*			trans	46.9	128.5	146.8	-58.7	-18.7	0	0	0	120.3
166	F	30.5	Very low	31.5	Very low	202 Å²	202	161.9 Å²	161.9	89%	0.886	79%	0.791	S	S	*	*				-153.6	144.6	120	-115.7	-77.5	0	0	0	112	M168	F166-M168 HydrophobicContact CE1-CE 4.36Å
167	R	29	Very low	31	Very low	218 Å²	218	165.8 Å²	165.8	82%	0.823	80%	0.802	S	S	*	*			trans	-130.6	134.6	-177.5	-178.2	-171.5	-163.7	-177.3	8.3	107.9
168	M	34.7	Very low	30.7	Very low	170 Å²	170	165.3 Å²	165.3	84%	0.837	81%	0.805	S	S	*	*			trans	-132.7	155.9	169	-85	-62.3	158.3	0	0	112.1	F166	F166-M168 HydrophobicContact CE1-CE 4.36Å
169	R	29.7	Very low	30.3	Very low	231 Å²	231	167.6 Å²	167.6	87%	0.872	81%	0.806	S	S	*	*			trans	-106.1	161.2	-165.7	-76	-178	169.5	-154	0.3	113.5
170	Q	31.3	Very low	30.1	Very low	173 Å²	173	169.1 Å²	169.1	81%	0.808	81%	0.813	S	S	*	*			trans	-44.1	173.7	156.8	-83.2	-170.3	4.2	0	0	115.2
171	P	34.1	Very low	29.9	Very low	106 Å²	106	169.3 Å²	169.3	69%	0.688	82%	0.818	S	S	*	*			cis	-158.4	179.1	40.6	44.5	-21.4	0	0	0	122.6
172	H	26.4	Very low	29.8	Very low	154 Å²	154	163 Å²	163	71%	0.713	81%	0.808	S	S	*	*			trans	39.3	134.8	146.9	-71.5	-64	0	0	0	124.1
173	Q	34.3	Very low	29.8	Very low	198 Å²	198	162.4 Å²	162.4	93%	0.925	81%	0.805	S	S	*	*				-150.8	154	127.2	-108.3	167.9	9.2	0	0	110.6
174	Q	26.9	Very low	29.7	Very low	159 Å²	159	156.5 Å²	156.5	74%	0.743	79%	0.792	S	S	*	*			trans	-119.5	-173.2	-171.7	-71.3	173.6	-99.7	0	0	111.6
175	E	29.6	Very low	29.7	Very low	177 Å²	177	158.3 Å²	158.3	83%	0.827	79%	0.791	S	S	*	*			trans	83.5	142.9	160.9	-64	169.5	-154.3	0	0	116.7
176	S	34.2	Very low	29.6	Very low	115 Å²	115	159 Å²	159	80%	0.804	79%	0.787	S	S	*	*			cis	-157.3	168.7	-5.8	39.6	0	0	0	0	111.6
177	E	23.6	Very low	29.6	Very low	183 Å²	183	154.5 Å²	154.5	86%	0.855	78%	0.781	S	S	*	*			trans	-89	157.5	-175.7	-52.7	174.9	122.7	0	0	113.3
178	T	30.7	Very low	29.5	Very low	146 Å²	146	151.3 Å²	151.3	90%	0.896	78%	0.778	S	S	*	*			trans	-152.5	138.5	142.1	-34.2	0	0	0	0	111.8
179	R	24.3	Very low	29.1	Very low	229 Å²	229	149.8 Å²	149.8	86%	0.864	78%	0.778	S	S	*	*			trans	-100.5	-174.9	178.5	-86.5	-179.6	169.2	-177.2	-2.1	112.3
180	V	30.2	Very low	29	Very low	131 Å²	131	143.1 Å²	143.1	79%	0.794	77%	0.767	S	S	*	*			trans	106.9	110.7	164.2	-177.2	0	0	0	0	111.7
181	S	24.4	Very low	28.9	Very low	110 Å²	110	145.8 Å²	145.8	77%	0.769	77%	0.771	S	S	*	*			cis	81.8	102.4	32.5	-57.4	0	0	0	0	116.5
182	S	30	Very low	28.7	Very low	101 Å²	101	145.4 Å²	145.4	71%	0.706	77%	0.77	S	S	*	*			trans	163.3	114.6	146	54.5	0	0	0	0	108.6
183	T	27.8	Very low	29	Very low	121 Å²	121	144.4 Å²	144.4	74%	0.742	77%	0.77	S	S	*	*				46.9	135.5	99.1	65.6	0	0	0	0	114.2
184	N	30.7	Very low	28.9	Very low	128 Å²	128	141.2 Å²	141.2	68%	0.684	76%	0.759	S	S	*	*			cis	-169.5	165.6	6.7	-109.7	32.7	0	0	0	106.2
185	E	29.1	Very low	29.2	Very low	125 Å²	125	139.2 Å²	139.2	58%	0.584	76%	0.758	S	S	*	*			cis	-169.9	179.8	-2.7	-132.4	-175.9	132.3	0	0	111.6
186	K	30.1	Very low	29.4	Very low	162 Å²	162	137.6 Å²	137.6	70%	0.704	76%	0.755	S	S	*	*			trans	61.6	122.7	147.7	-73.3	157.8	177.9	135.6	0	122
187	S	29.6	Very low	29.1	Very low	108 Å²	108	142.7 Å²	142.7	76%	0.755	76%	0.758	S	S	*	*			trans	104.3	141.2	140.2	86	0	0	0	0	117.8
188	I	27.1	Very low	29.4	Very low	151 Å²	151	140.5 Å²	140.5	77%	0.774	75%	0.751	S	S	*	*			cis	-163.8	140.8	-13	-117.1	165.7	0	0	0	108.3
189	V	27.9	Very low	29.2	Very low	137 Å²	137	140.4 Å²	140.4	83%	0.83	75%	0.745	S	S	*	*			trans	63.3	156	158.4	167.1	0	0	0	0	118.5
190	S	26.7	Very low	29.4	Very low	91 Å²	91	134.1 Å²	134.1	64%	0.636	74%	0.737	S	S	*	*			cis	-178.1	130.7	-38.2	-176	0	0	0	0	108.7
191	Y	29	Very low	29.4	Very low	230 Å²	230	136.2 Å²	136.2	90%	0.902	74%	0.738	S	S	*	*			trans	-164.2	148.1	144	-134.7	-93.3	0	0	0	110.9
192	C	30.3	Very low	29.6	Very low	97 Å²	97	139.1 Å²	139.1	66%	0.655	75%	0.745	S	S	*	*			trans	-113.4	-178.6	-169	-64.3	0	0	0	0	113.8
193	N	31.6	Very low	29.6	Very low	134 Å²	134	143.3 Å²	143.3	72%	0.717	75%	0.753	S	S	*	*			trans	99.1	126.9	164.5	-58.6	27.9	0	0	0	115.2
194	D	34.2	Very low	29.6	Very low	130 Å²	130	142.2 Å²	142.2	70%	0.695	75%	0.75	S	S	*	*			cis	-149.7	128.3	-6.9	-84.7	-42.7	0	0	0	107.6
195	V	31.8	Very low	29.5	Very low	118 Å²	118	143.2 Å²	143.2	72%	0.715	76%	0.756	S	S	*	*				65.4	115.6	84.4	178.1	0	0	0	0	111.4
196	N	33.2	Very low	29.6	Very low	143 Å²	143	144.3 Å²	144.3	77%	0.765	77%	0.765	S	S	*	*			cis	-146.6	133.2	39.9	-107.7	-45.2	0	0	0	114.1
197	Y	27.8	Very low	29.6	Very low	221 Å²	221	144.4 Å²	144.4	87%	0.867	77%	0.768	S	S	*	*			trans	-133.3	96.6	164.9	-176.3	-82.2	0	0	0	107.5
198	L	31.6	Very low	29.4	Very low	138 Å²	138	147 Å²	147	72%	0.723	77%	0.768	S	S	*	*			trans	-145.9	68.4	-179.2	-106.3	168.1	0	0	0	111.4
199	N	26.6	Very low	29.3	Very low	143 Å²	143	146.4 Å²	146.4	77%	0.765	77%	0.766	S	S	*	*			trans	-96.5	133	148.6	-165.4	8.2	0	0	0	106.8
200	S	27.2	Very low	29.4	Very low	98 Å²	98	148.8 Å²	148.8	69%	0.685	77%	0.765	S	S	*	*			trans	78.7	83	-172.9	-39	0	0	0	0	117
201	Q	30.4	Very low	29.4	Very low	174 Å²	174	153.7 Å²	153.7	81%	0.813	78%	0.775	S	S	*	*				-168.3	79.4	121	-103.9	-172.8	31.3	0	0	111.1
202	N	28	Very low	29.3	Very low	172 Å²	172	148.4 Å²	148.4	92%	0.92	76%	0.763	S	S	*	*			trans	-127.1	67.2	153.1	-94.3	-26.9	0	0	0	107.3
203	Q	30	Very low	29.2	Very low	189 Å²	189	152.4 Å²	152.4	88%	0.883	77%	0.772	S	S	*	*			trans	-117.4	83.4	170.8	-77.7	-169.9	2	0	0	109.5
204	S	29.3	Very low	29	Very low	98 Å²	98	153.6 Å²	153.6	69%	0.685	78%	0.778	S	S	*	*	S	Bend	trans	-166.9	125	144.9	40.5	0	0	0	0	109
205	N	27.6	Very low	28.6	Very low	148 Å²	148	151.5 Å²	151.5	79%	0.791	77%	0.772	S	S	*	*			trans	60.2	99.9	166.8	-41.5	-40	0	0	0	114.4
206	L	31	Very low	28.3	Very low	149 Å²	149	152.6 Å²	152.6	78%	0.78	77%	0.773	S	S	*	*				-159.6	134.1	64	-102.4	87	0	0	0	112
207	Q	29.8	Very low	28.1	Very low	164 Å²	164	154 Å²	154	77%	0.766	78%	0.779	S	S	*	*			trans	43.8	124.9	140.4	-68.3	176.5	-22.5	0	0	122.3
208	H	25.8	Very low	28.2	Very low	163 Å²	163	150.2 Å²	150.2	76%	0.755	77%	0.769	S	S	*	*			trans	57.6	109.4	150.3	-76.3	-80.7	0	0	0	118.1
209	N	26.3	Very low	28.1	Very low	137 Å²	137	148.6 Å²	148.6	73%	0.733	77%	0.769	S	S	*	*			cis	-166.2	161	49.3	-95.3	-40.6	0	0	0	112.8
210	K	29	Very low	28.4	Very low	187 Å²	187	150 Å²	150	81%	0.813	77%	0.768	S	S	*	*			trans	-57.7	133	167.5	-67	172.1	175.1	175.9	0	110.6
211	F	26.1	Very low	28.9	Very low	194 Å²	194	153.2 Å²	153.2	85%	0.851	78%	0.778	S	S	*	*			trans	-124.1	115.1	150.3	-107	-87.6	0	0	0	109.8
212	N	28.1	Very low	29.7	Very low	119 Å²	119	149.7 Å²	149.7	64%	0.636	77%	0.768	S	S	*	*			trans	-70.4	146	-179.5	-92.5	-3.9	0	0	0	111.3
213	E	28.3	Very low	31.1	Very low	182 Å²	182	146.6 Å²	146.6	85%	0.85	75%	0.752	S	S	*	*	S	Bend	trans	-56.8	137.6	149.3	-62.1	177	138.4	0	0	109
214	N	26.9	Very low	32	Very low	159 Å²	159	141.4 Å²	141.4	85%	0.85	73%	0.73	S	S	*	*	S	Bend	trans	72.8	63.8	-179.7	-46.4	-49.4	0	0	0	117.3
215	C	26.3	Very low	33.2	Very low	85 Å²	85	142.2 Å²	142.2	57%	0.574	73%	0.726	S	S	*	*			trans	-138.6	94.3	162.3	-91.8	0	0	0	0	114.3	I217	C215-I217 PolarHBondContact O-N 3.06Å
216	I	25.9	Very low	34.8	Very low	142 Å²	142	141.3 Å²	141.3	73%	0.728	72%	0.717	S	S	*	*			trans	17.9	92.1	136	-41.6	173	0	0	0	115.7	Q218	I216-Q218 HydrophobicContact CG2-CG 3.72Å; I216-Q218 PolarHBondContact O-N 3.36Å
217	I	28.5	Very low	36	Very low	173 Å²	173	137.9 Å²	137.9	89%	0.887	69%	0.694	S	S	*	*			trans	-76	97.9	158.1	-61.4	-178.1	0	0	0	107.4	C215	C215-I217 PolarHBondContact O-N 3.06Å
218	Q	29.4	Very low	37.4	Very low	141 Å²	141	133 Å²	133	66%	0.659	67%	0.672	S	S	*	*			trans	-63.6	140	169.9	-63.9	174	-8	0	0	109.3	I216 K220	I216-Q218 HydrophobicContact CG2-CG 3.72Å; I216-Q218 PolarHBondContact O-N 3.36Å; Q218-K220 PolarHBondContact O-N 3.13Å
219	S	28.8	Very low	39.3	Very low	103 Å²	103	129.9 Å²	129.9	72%	0.72	66%	0.661	S	S	*	*			trans	-51.2	120.1	172.5	47.8	0	0	0	0	111.7
220	K	34.7	Very low	41.2	Very low	173 Å²	173	129.3 Å²	129.3	75%	0.752	65%	0.654	S	S	*	*			trans	-125.2	112.5	159.4	-74.5	-172.9	175.2	-178.4	0	108	Q218 T222	Q218-K220 PolarHBondContact O-N 3.13Å; K220-T222 PolarHBondContact O-N 2.62Å
221	D	37.5	Very low	42.8	Very low	165 Å²	165	121.4 Å²	121.4	88%	0.882	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76	36.9	-173.6	-62.8	-68.7	0	0	0	113.7
222	T	46.9	Very low	44.5	Very low	100 Å²	100	117.1 Å²	117.1	61%	0.613	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.9	-19.5	-170.7	38.8	0	0	0	0	115	K220	K220-T222 PolarHBondContact O-N 2.62Å
223	D	56.3	Low	46.3	Very low	107 Å²	107	117 Å²	117	57%	0.572	60%	0.602	S	S	*	*	H	α-helix	trans	-85.8	-18.1	-155.3	-152.9	9.2	0	0	0	115.5	N225 E226 W227	D223-N225 PolarHBondContact O-N 3.04Å; D223-E226 PolarHBondContact O-N 3.45Å; D223-W227 WeakPolarHBondContact O-CB 3.38Å; D223-W227 PolarHBondContact O-N 2.89Å
224	L	48.8	Very low	47.9	Very low	81 Å²	81	112.4 Å²	112.4	42%	0.424	58%	0.583	S	S	.	*	H	α-helix	trans	-66.3	-38.1	-171.7	-173.2	64.6	0	0	0	113.7	W227 I228	L224-W227 HydrophobicContact CD1-CE3 4.01Å; L224-W227 HydrophobicContact CD1-CZ3 4.45Å; L224-I228 HydrophobicContact CG-CD1 4.42Å; L224-I228 VanDerWaalsContact O-CG1 3.26Å; L224-I228 WeakPolarHBondContact O-CG1 3.42Å; L224-I228 PolarHBondContact O-N 2.87Å
225	N	56.2	Low	49.4	Very low	114 Å²	114	106.4 Å²	106.4	61%	0.61	55%	0.55	S	S	*	*	H	α-helix	trans	-78.6	-34.2	178.8	-69.9	-24.5	0	0	0	111.4	D223 I228 N229	D223-N225 PolarHBondContact O-N 3.04Å; N225-I228 PolarHBondContact O-N 3.32Å; N225-N229 PolarHBondContact O-N 2.95Å; N225-N229 PolarHBondContact O-ND2 3.14Å
226	E	59.5	Low	51.2	Low	129 Å²	129	106.2 Å²	106.2	60%	0.603	54%	0.544	S	S	*	.	H	α-helix	trans	-64	-43.8	174	-161.6	157.6	-165.5	0	0	110.2	D223 N229 E230	D223-E226 PolarHBondContact O-N 3.45Å; E226-N229 WeakPolarHBondContact O-CB 3.21Å; E226-N229 PolarHBondContact O-N 2.9Å; E226-E230 PolarHBondContact O-N 3.29Å
227	W	57.4	Low	52.8	Low	78 Å²	78	103 Å²	103	30%	0.295	53%	0.528	S	S	.	.	H	α-helix	trans	-62.3	-41	170.4	178.3	83.1	0	0	0	114.2	L131 A134 D223 L224 N229 E230 A231	L131-W227 HydrophobicContact CD2-CH2 3.91Å; L131-W227 HydrophobicContact CD2-CZ2 3.98Å; A134-W227 HydrophobicContact CB-CH2 4.31Å; A134-W227 HydrophobicContact CB-CZ2 3.69Å; D223-W227 WeakPolarHBondContact O-CB 3.38Å; D223-W227 PolarHBondContact O-N 2.89Å; L224-W227 HydrophobicContact CD1-CE3 4.01Å; L224-W227 HydrophobicContact CD1-CZ3 4.45Å; W227-N229 VanDerWaalsContact C-N 3.3Å; W227-N229 PolarHBondContact O-N 3.44Å; W227-E230 PolarHBondContact O-N 3.13Å; W227-A231 WeakPolarHBondContact O-CB 3.46Å; W227-A231 PolarHBondContact O-N 3.25Å
228	I	59.4	Low	54	Low	60 Å²	60	97.9 Å²	97.9	31%	0.308	50%	0.502	S	S	.	.	H	α-helix	trans	-60.2	-44.2	172.9	-75.3	165.5	0	0	0	109.9	L224 N225 Q232	L224-I228 HydrophobicContact CG-CD1 4.42Å; L224-I228 VanDerWaalsContact O-CG1 3.26Å; L224-I228 WeakPolarHBondContact O-CG1 3.42Å; L224-I228 PolarHBondContact O-N 2.87Å; N225-I228 PolarHBondContact O-N 3.32Å; I228-Q232 HydrophobicContact CG2-CG 4.43Å; I228-Q232 VanDerWaalsContact O-CB 3.31Å; I228-Q232 WeakPolarHBondContact O-CB 3.3Å; I228-Q232 WeakPolarHBondContact O-CG 3.43Å; I228-Q232 PolarHBondContact O-N 3.44Å
229	N	64.8	Low	55.3	Low	98 Å²	98	94.5 Å²	94.5	52%	0.524	49%	0.485	S	S	.	.	H	α-helix	trans	-65.6	-40.6	178	-66.1	-22.5	0	0	0	111.6	N225 E226 W227 Q232 H233	N225-N229 PolarHBondContact O-N 2.95Å; N225-N229 PolarHBondContact O-ND2 3.14Å; E226-N229 WeakPolarHBondContact O-CB 3.21Å; E226-N229 PolarHBondContact O-N 2.9Å; W227-N229 VanDerWaalsContact C-N 3.3Å; W227-N229 PolarHBondContact O-N 3.44Å; N229-Q232 PolarHBondContact O-N 3.47Å; N229-H233 VanDerWaalsContact O-CB 3.29Å; N229-H233 WeakPolarHBondContact O-CB 3Å; N229-H233 PolarHBondContact O-N 3.15Å
230	E	67.3	Low	56.4	Low	125 Å²	125	91.4 Å²	91.4	58%	0.584	47%	0.465	S	S	*	.	H	α-helix	trans	-65.6	-45.6	176.4	-170.8	-176.1	-163.4	0	0	111.7	E226 W227 Q232 H233 L234	E226-E230 PolarHBondContact O-N 3.29Å; W227-E230 PolarHBondContact O-N 3.13Å; E230-Q232 VanDerWaalsContact C-N 3.32Å; E230-Q232 PolarHBondContact O-N 3Å; E230-H233 CarbonylContact O-C 3.58Å; E230-H233 PolarHBondContact O-N 2.68Å; E230-H233 VanDerWaalsContact O-N 3.17Å; E230-L234 PolarHBondContact O-N 2.8Å
231	A	60.7	Low	57	Low	21 Å²	21	87 Å²	87	17%	0.174	46%	0.457	C	S	.	.	H	α-helix	trans	-63.3	-38.5	176.1	0	0	0	0	0	112	W227 L235	W227-A231 WeakPolarHBondContact O-CB 3.46Å; W227-A231 PolarHBondContact O-N 3.25Å; A231-L235 WeakPolarHBondContact O-CB 3.43Å; A231-L235 WeakPolarHBondContact O-CG 3.33Å; A231-L235 PolarHBondContact O-N 3.04Å
232	Q	63.1	Low	57.3	Low	104 Å²	104	85.2 Å²	85.2	49%	0.486	44%	0.437	S	S	.	.	H	α-helix	trans	-64.8	-43.8	171.2	-75.8	172.9	-1.4	0	0	111.5	I228 N229 E230 L234 L235 D236	I228-Q232 HydrophobicContact CG2-CG 4.43Å; I228-Q232 VanDerWaalsContact O-CB 3.31Å; I228-Q232 WeakPolarHBondContact O-CB 3.3Å; I228-Q232 WeakPolarHBondContact O-CG 3.43Å; I228-Q232 PolarHBondContact O-N 3.44Å; N229-Q232 PolarHBondContact O-N 3.47Å; E230-Q232 VanDerWaalsContact C-N 3.32Å; E230-Q232 PolarHBondContact O-N 3Å; Q232-L234 PolarHBondContact O-N 3.48Å; Q232-L235 CarbonylContact O-C 3.59Å; Q232-L235 PolarHBondContact O-N 2.95Å; Q232-D236 VanDerWaalsContact O-CB 3.29Å; Q232-D236 WeakPolarHBondContact O-CB 3.36Å; Q232-D236 PolarHBondContact O-N 3.25Å
233	H	64.8	Low	57.1	Low	117 Å²	117	90.2 Å²	90.2	54%	0.542	45%	0.445	S	S	.	.	H	α-helix	trans	-66.7	-34.1	177.7	-162.8	-36.3	0	0	0	112.1	N229 E230 N237	N229-H233 VanDerWaalsContact O-CB 3.29Å; N229-H233 WeakPolarHBondContact O-CB 3Å; N229-H233 PolarHBondContact O-N 3.15Å; E230-H233 CarbonylContact O-C 3.58Å; E230-H233 PolarHBondContact O-N 2.68Å; E230-H233 VanDerWaalsContact O-N 3.17Å; H233-N237 PolarHBondContact CE1-ND2 3.35Å; H233-N237 PolarHBondContact CE1-OD1 2.99Å; H233-N237 VanDerWaalsContact CE1-OD1 3.24Å; H233-N237 PolarHBondContact ND1-ND2 3.42Å; H233-N237 VanDerWaalsContact ND1-ND2 3.14Å; H233-N237 PolarHBondContact ND1-OD1 3.49Å; H233-N237 WeakPolarHBondContact O-CB 3.37Å; H233-N237 PolarHBondContact O-N 3.05Å; H233-N237 PolarHBondContact O-ND2 2.98Å
234	L	62.2	Low	56.4	Low	85 Å²	85	91.4 Å²	91.4	45%	0.445	45%	0.451	S	S	.	.	H	α-helix	trans	-68.1	-44.8	171.2	-77.9	172.6	0	0	0	111.5	E230 Q232 D236 N237 I238	E230-L234 PolarHBondContact O-N 2.8Å; Q232-L234 PolarHBondContact O-N 3.48Å; L234-D236 VanDerWaalsContact C-N 3.31Å; L234-D236 PolarHBondContact O-N 2.99Å; L234-N237 PolarHBondContact O-N 3.46Å; L234-I238 WeakPolarHBondContact O-CB 3.36Å; L234-I238 WeakPolarHBondContact O-CD1 3.45Å; L234-I238 VanDerWaalsContact O-CG1 3.23Å; L234-I238 WeakPolarHBondContact O-CG1 3.38Å; L234-I238 PolarHBondContact O-N 3.49Å
235	L	59.8	Low	55.7	Low	33 Å²	33	89.2 Å²	89.2	17%	0.173	45%	0.448	C	S	.	.	H	α-helix	trans	-62.2	-39.9	174.1	-78.8	168.1	0	0	0	111.6	F96 A231 Q232 I238 K239	F96-L235 HydrophobicContact CZ-CD1 4.12Å; A231-L235 WeakPolarHBondContact O-CB 3.43Å; A231-L235 WeakPolarHBondContact O-CG 3.33Å; A231-L235 PolarHBondContact O-N 3.04Å; Q232-L235 CarbonylContact O-C 3.59Å; Q232-L235 PolarHBondContact O-N 2.95Å; L235-I238 PolarHBondContact O-N 3.29Å; L235-K239 WeakPolarHBondContact O-CB 3.4Å; L235-K239 WeakPolarHBondContact O-CG 3.44Å; L235-K239 PolarHBondContact O-N 3Å
236	D	62.4	Low	54.7	Low	82 Å²	82	89.5 Å²	89.5	44%	0.439	44%	0.44	S	S	.	.	H	α-helix	trans	-76.3	-29.4	178.7	-73.6	-8.7	0	0	0	111.9	Q232 L234 K239 A240	Q232-D236 VanDerWaalsContact O-CB 3.29Å; Q232-D236 WeakPolarHBondContact O-CB 3.36Å; Q232-D236 PolarHBondContact O-N 3.25Å; L234-D236 VanDerWaalsContact C-N 3.31Å; L234-D236 PolarHBondContact O-N 2.99Å; D236-K239 WeakPolarHBondContact OD1-CD 3.48Å; D236-K239 IonicContact OD1-NZ 2.76Å; D236-K239 PolarHBondContact OD1-NZ 2.92Å; D236-A240 WeakPolarHBondContact O-CA 3.48Å; D236-A240 WeakPolarHBondContact O-CB 2.91Å; D236-A240 PolarHBondContact O-N 2.98Å
237	N	60.7	Low	53.3	Low	75 Å²	75	88 Å²	88	40%	0.401	44%	0.436	S	S	.	.	H	α-helix	trans	-68.1	-36.7	166.6	-79.4	-14.3	0	0	0	111.8	H233 L234 S241	H233-N237 PolarHBondContact CE1-ND2 3.35Å; H233-N237 PolarHBondContact CE1-OD1 2.99Å; H233-N237 VanDerWaalsContact CE1-OD1 3.24Å; H233-N237 PolarHBondContact ND1-ND2 3.42Å; H233-N237 VanDerWaalsContact ND1-ND2 3.14Å; H233-N237 PolarHBondContact ND1-OD1 3.49Å; H233-N237 WeakPolarHBondContact O-CB 3.37Å; H233-N237 PolarHBondContact O-N 3.05Å; H233-N237 PolarHBondContact O-ND2 2.98Å; L234-N237 PolarHBondContact O-N 3.46Å; N237-S241 WeakPolarHBondContact O-CB 3.37Å; N237-S241 PolarHBondContact O-N 3.33Å; N237-S241 PolarHBondContact O-OG 2.99Å
238	I	53.6	Low	51.9	Low	64 Å²	64	89.5 Å²	89.5	33%	0.328	46%	0.458	S	S	.	.	H	α-helix	trans	-71	-43	174.3	-69.4	163.3	0	0	0	109.9	L234 L235 S241 R242	L234-I238 WeakPolarHBondContact O-CB 3.36Å; L234-I238 WeakPolarHBondContact O-CD1 3.45Å; L234-I238 VanDerWaalsContact O-CG1 3.23Å; L234-I238 WeakPolarHBondContact O-CG1 3.38Å; L234-I238 PolarHBondContact O-N 3.49Å; L235-I238 PolarHBondContact O-N 3.29Å; I238-S241 PolarHBondContact O-N 2.89Å; I238-R242 WeakPolarHBondContact O-CB 3.43Å; I238-R242 VanDerWaalsContact O-CG 3.25Å; I238-R242 WeakPolarHBondContact O-CG 3.45Å; I238-R242 PolarHBondContact O-N 3.44Å
239	K	56.3	Low	50.4	Low	71 Å²	71	92.1 Å²	92.1	31%	0.309	48%	0.481	S	S	.	.	H	α-helix	trans	-64.4	-39.8	173.1	-69.9	167.9	-155.2	157.7	0	111.1	L235 D236 R242 R243	L235-K239 WeakPolarHBondContact O-CB 3.4Å; L235-K239 WeakPolarHBondContact O-CG 3.44Å; L235-K239 PolarHBondContact O-N 3Å; D236-K239 WeakPolarHBondContact OD1-CD 3.48Å; D236-K239 IonicContact OD1-NZ 2.76Å; D236-K239 PolarHBondContact OD1-NZ 2.92Å; K239-R242 CarbonylContact O-C 3.57Å; K239-R242 PolarHBondContact O-N 3.45Å; K239-R243 VanDerWaalsContact O-CB 3.27Å; K239-R243 WeakPolarHBondContact O-CB 3.42Å; K239-R243 WeakPolarHBondContact O-CG 3.46Å; K239-R243 PolarHBondContact O-N 3.15Å
240	A	52.3	Low	48.7	Very low	37 Å²	37	90.6 Å²	90.6	31%	0.306	48%	0.475	S	S	.	.	H	α-helix	trans	-68.2	-44.1	176.2	0	0	0	0	0	110.8	D236 R242 R243 L244	D236-A240 WeakPolarHBondContact O-CA 3.48Å; D236-A240 WeakPolarHBondContact O-CB 2.91Å; D236-A240 PolarHBondContact O-N 2.98Å; A240-R242 PolarHBondContact O-N 3.3Å; A240-R243 CarbonylContact O-C 3.59Å; A240-R243 PolarHBondContact O-N 3.38Å; A240-R243 VanDerWaalsContact O-N 3.08Å; A240-L244 VanDerWaalsContact O-CB 3.3Å; A240-L244 WeakPolarHBondContact O-CB 3.49Å; A240-L244 WeakPolarHBondContact O-CG 3.37Å; A240-L244 PolarHBondContact O-N 2.93Å
241	S	47.3	Very low	46.8	Very low	82 Å²	82	91.5 Å²	91.5	57%	0.573	49%	0.491	S	S	*	.	H	α-helix	trans	-63.3	-26.8	172	-60.1	0	0	0	0	112.7	N237 I238 G245	N237-S241 WeakPolarHBondContact O-CB 3.37Å; N237-S241 PolarHBondContact O-N 3.33Å; N237-S241 PolarHBondContact O-OG 2.99Å; I238-S241 PolarHBondContact O-N 2.89Å; S241-G245 WeakPolarHBondContact O-CA 3.34Å; S241-G245 PolarHBondContact O-N 3.18Å
242	R	42.8	Very low	45.3	Very low	126 Å²	126	95.3 Å²	95.3	48%	0.475	52%	0.516	S	S	.	.	H	α-helix	trans	-85.2	-25.2	170.7	-69.9	178.5	-164.4	-143.4	8.2	113.5	D106 I238 K239 A240	D106-R242 PolarHBondContact O-NH1 3.4Å; I238-R242 WeakPolarHBondContact O-CB 3.43Å; I238-R242 VanDerWaalsContact O-CG 3.25Å; I238-R242 WeakPolarHBondContact O-CG 3.45Å; I238-R242 PolarHBondContact O-N 3.44Å; K239-R242 CarbonylContact O-C 3.57Å; K239-R242 PolarHBondContact O-N 3.45Å; A240-R242 PolarHBondContact O-N 3.3Å
243	R	43.2	Very low	43.7	Very low	205 Å²	205	96.6 Å²	96.6	77%	0.774	53%	0.525	S	S	*	.	H	α-helix	trans	-79.5	-35.1	174.6	-77.1	167.8	177.7	-176.3	-0.6	111.9	K239 A240	K239-R243 VanDerWaalsContact O-CB 3.27Å; K239-R243 WeakPolarHBondContact O-CB 3.42Å; K239-R243 WeakPolarHBondContact O-CG 3.46Å; K239-R243 PolarHBondContact O-N 3.15Å; A240-R243 CarbonylContact O-C 3.59Å; A240-R243 PolarHBondContact O-N 3.38Å; A240-R243 VanDerWaalsContact O-N 3.08Å
244	L	41.3	Very low	42	Very low	132 Å²	132	98.3 Å²	98.3	69%	0.691	54%	0.538	S	S	*	.	H	α-helix	trans	-82.6	-24.6	167.3	-66.5	166.3	0	0	0	111.3	A240 R246 L247	A240-L244 VanDerWaalsContact O-CB 3.3Å; A240-L244 WeakPolarHBondContact O-CB 3.49Å; A240-L244 WeakPolarHBondContact O-CG 3.37Å; A240-L244 PolarHBondContact O-N 2.93Å; L244-R246 PolarHBondContact O-N 3.36Å; L244-L247 PolarHBondContact O-N 3.35Å
245	G	34.4	Very low	40.4	Very low	35 Å²	35	102.4 Å²	102.4	36%	0.361	56%	0.561	S	S	.	*	T	Hydrogen-bonded Turn	trans	-67.3	15	177.2	0	0	0	0	0	116.2	S241	S241-G245 WeakPolarHBondContact O-CA 3.34Å; S241-G245 PolarHBondContact O-N 3.18Å
246	R	35.9	Very low	39	Very low	121 Å²	121	110.7 Å²	110.7	46%	0.457	59%	0.59	S	S	.	*	T	Hydrogen-bonded Turn	trans	-77	-9.7	152.7	-96.4	-171.1	165.3	-134.6	-10.9	112.6	L244 T264 R321	L244-R246 PolarHBondContact O-N 3.36Å; R246-T264 PolarHBondContact NH1-O 2.97Å; R246-T264 VanDerWaalsContact NH1-O 3.09Å; R246-R321 VanDerWaalsContact NH2-NH2 3.11Å
247	L	29	Very low	37.6	Very low	96 Å²	96	117.4 Å²	117.4	50%	0.503	61%	0.609	S	S	.	*	S	Bend	trans	-117.8	140.3	164.5	-60.6	177	0	0	0	109.6	L244 E262	L244-L247 PolarHBondContact O-N 3.35Å; L247-E262 HydrophobicContact CD1-CG 4.41Å; L247-E262 WeakPolarHBondContact CD1-OE1 3.37Å; L247-E262 HydrophobicContact CD2-CG 4.28Å; L247-E262 WeakPolarHBondContact CG-OE1 3.27Å
248	S	28.3	Very low	36	Very low	110 Å²	110	121.4 Å²	121.4	77%	0.769	63%	0.63	S	S	*	*			trans	58.6	65	174	64.9	0	0	0	0	117.5	T250	S248-T250 PolarHBondContact O-N 2.9Å
249	C	28.1	Very low	34.9	Very low	116 Å²	116	123.5 Å²	123.5	78%	0.784	65%	0.651	S	S	*	*	S	Bend	trans	-61.5	122.9	133.8	-81	0	0	0	0	107.7
250	T	29.7	Very low	33.8	Very low	66 Å²	66	128.8 Å²	128.8	41%	0.405	68%	0.677	S	S	.	*			trans	67.6	123.5	175.3	75.7	0	0	0	0	116.6	S248 C252 L253	S248-T250 PolarHBondContact O-N 2.9Å; T250-C252 PolarHBondContact O-N 3.38Å; T250-L253 PolarHBondContact OG1-N 3.5Å
251	P	27.6	Very low	33.4	Very low	143 Å²	143	132.8 Å²	132.8	93%	0.929	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.1	4.4	151.5	-18.7	33.3	0	0	0	113.4
252	C	29.6	Very low	33.2	Very low	102 Å²	102	134.6 Å²	134.6	69%	0.689	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.6	-15.3	-165.3	-36.1	0	0	0	0	113.7	T250	T250-C252 PolarHBondContact O-N 3.38Å
253	L	29.5	Very low	33.7	Very low	130 Å²	130	131.5 Å²	131.5	68%	0.681	69%	0.693	S	S	*	*	S	Bend	trans	-140.4	142	-174.4	-65.2	172.3	0	0	0	111.6	T250	T250-L253 PolarHBondContact OG1-N 3.5Å
254	N	29.1	Very low	34.6	Very low	153 Å²	153	124.9 Å²	124.9	82%	0.818	68%	0.676	S	S	*	*			trans	76.7	59.4	174.8	-57	-22.7	0	0	0	117.6	R256	N254-R256 PolarHBondContact O-N 2.65Å
255	N	27.6	Very low	36.1	Very low	171 Å²	171	121.1 Å²	121.1	91%	0.914	66%	0.657	S	S	*	*			trans	-68.4	73.8	150.2	-154.4	2.7	0	0	0	110.2
256	R	29.5	Very low	38.2	Very low	207 Å²	207	120 Å²	120	78%	0.781	64%	0.642	S	S	*	*			trans	-169.5	126.9	165.6	-111.7	165.1	-161.5	-139	0.6	114.6	N254	N254-R256 PolarHBondContact O-N 2.65Å
257	R	32.9	Very low	40.1	Very low	223 Å²	223	115.3 Å²	115.3	84%	0.842	63%	0.626	S	S	*	*			trans	80.2	102.8	158.9	-60.8	177.5	179.8	165.2	-1.6	117.2
258	N	27	Very low	42.5	Very low	159 Å²	159	115 Å²	115	85%	0.85	63%	0.629	S	S	*	*			trans	-67.3	173.6	161.3	-59.2	-31.6	0	0	0	111.9
259	S	30.4	Very low	44.7	Very low	109 Å²	109	110 Å²	110	76%	0.762	60%	0.595	S	S	*	*			trans	84.7	143.7	174.3	81.2	0	0	0	0	117.5
260	E	35	Very low	46.5	Very low	181 Å²	181	108 Å²	108	85%	0.846	58%	0.575	S	S	*	*			trans	90.8	83.7	166.8	-56.5	-177.2	170.5	0	0	118.8
261	V	43.3	Very low	48.6	Very low	122 Å²	122	109.6 Å²	109.6	74%	0.739	58%	0.581	S	S	*	*			trans	42	101.9	140.5	-169.9	0	0	0	0	117.4	C263	V261-C263 PolarHBondContact O-N 2.86Å
262	E	43.2	Very low	50.9	Low	120 Å²	120	106.8 Å²	106.8	56%	0.561	56%	0.558	S	S	*	*			trans	-58.4	93.9	168	-70	-173.9	91.5	0	0	112.5	L247 T264	L247-E262 HydrophobicContact CD1-CG 4.41Å; L247-E262 WeakPolarHBondContact CD1-OE1 3.37Å; L247-E262 HydrophobicContact CD2-CG 4.28Å; L247-E262 WeakPolarHBondContact CG-OE1 3.27Å; E262-T264 HydrophobicContact CB-CG2 4.18Å; E262-T264 PolarHBondContact O-N 3.26Å
263	C	53.1	Low	53.2	Low	60 Å²	60	106.9 Å²	106.9	41%	0.405	56%	0.557	S	S	.	*			trans	-76.7	65.8	173.6	-70.3	0	0	0	0	111.1	V261 N265 L266	V261-C263 PolarHBondContact O-N 2.86Å; C263-N265 PolarHBondContact O-N 3.46Å; C263-L266 HydrophobicContact CB-CB 4.47Å; C263-L266 HydrophobicContact CB-CD1 4.12Å; C263-L266 HydrophobicContact CB-CG 4.48Å; C263-L266 PolarHBondContact O-N 3.4Å; C263-L266 VanDerWaalsContact O-N 3.11Å
264	T	62.5	Low	55.7	Low	67 Å²	67	106.2 Å²	106.2	41%	0.411	56%	0.555	S	S	.	*	T	Hydrogen-bonded Turn	trans	-52.8	-30.1	-176	54.6	0	0	0	0	113.8	R246 E262 L279	R246-T264 PolarHBondContact NH1-O 2.97Å; R246-T264 VanDerWaalsContact NH1-O 3.09Å; E262-T264 HydrophobicContact CB-CG2 4.18Å; E262-T264 PolarHBondContact O-N 3.26Å; T264-L279 VanDerWaalsContact O-CD1 3.22Å; T264-L279 WeakPolarHBondContact O-CD1 3.29Å
265	N	71.6	Confident	58.3	Low	53 Å²	53	101.4 Å²	101.4	28%	0.283	53%	0.528	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.5	10.3	-176.4	-69.5	-48.8	0	0	0	115.5	C263 L279 V294	C263-N265 PolarHBondContact O-N 3.46Å; N265-L279 WeakPolarHBondContact O-CB 3.2Å; N265-L279 PolarHBondContact O-N 3.35Å; N265-V294 HydrophobicContact CB-CG1 3.69Å; N265-V294 HydrophobicContact CB-CG2 4.16Å
266	L	78.6	Confident	60.9	Low	11 Å²	11	95.5 Å²	95.5	6%	0.058	50%	0.495	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	151.2	173.8	-66.4	175.3	0	0	0	112.5	C263 M276 A290 T291 V294	C263-L266 HydrophobicContact CB-CB 4.47Å; C263-L266 HydrophobicContact CB-CD1 4.12Å; C263-L266 HydrophobicContact CB-CG 4.48Å; C263-L266 PolarHBondContact O-N 3.4Å; C263-L266 VanDerWaalsContact O-N 3.11Å; L266-M276 HydrophobicContact CB-SD 4.09Å; L266-M276 HydrophobicContact CD1-SD 3.63Å; L266-M276 HydrophobicContact CD2-CB 4.3Å; L266-M276 HydrophobicContact CG-SD 4.32Å; L266-A290 HydrophobicContact CD1-CB 3.92Å; L266-A290 HydrophobicContact CD2-CB 3.84Å; L266-T291 HydrophobicContact CD1-CG2 4.41Å; L266-V294 HydrophobicContact CD1-CG2 4.43Å; L266-V294 HydrophobicContact CD2-CG2 3.39Å; L266-V294 HydrophobicContact CG-CG2 3.77Å
267	I	77.4	Confident	63.3	Low	22 Å²	22	87.3 Å²	87.3	11%	0.113	47%	0.465	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	127.6	171.3	-36.1	-176.8	0	0	0	108.5	M276 R277 L279 R321	I267-M276 CarbonylContact O-C 3.59Å; I267-M276 WeakPolarHBondContact O-CA 3.46Å; I267-R277 PolarHBondContact N-O 3.02Å; I267-R277 PolarHBondContact O-N 2.9Å; I267-L279 HydrophobicContact CD1-CD2 3.87Å; I267-L279 HydrophobicContact CD1-CG 3.92Å; I267-L279 HydrophobicContact CG1-CD1 4.24Å; I267-L279 HydrophobicContact CG1-CD2 4.38Å; I267-L279 HydrophobicContact CG1-CG 3.88Å; I267-R321 VanDerWaalsContact CD1-NH2 3.32Å
268	P	77.6	Confident	65.6	Low	89 Å²	89	76.7 Å²	76.7	58%	0.578	42%	0.424	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.7	150.1	168.7	28.6	-34.7	0	0	0	111
269	I	74.8	Confident	67.8	Low	7 Å²	7	70.7 Å²	70.7	4%	0.036	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	120.2	177.5	-60.7	-178	0	0	0	109.3	D271 N272 M275 R277 K284	I269-D271 PolarHBondContact O-N 2.93Å; I269-D271 VanDerWaalsContact O-N 3.13Å; I269-N272 CarbonylContact O-C 3.56Å; I269-N272 VanDerWaalsContact O-C 3.31Å; I269-N272 PolarHBondContact O-N 2.72Å; I269-N272 VanDerWaalsContact O-O 3.04Å; I269-M275 HydrophobicContact CB-CB 4.47Å; I269-M275 WeakPolarHBondContact CB-O 3.4Å; I269-M275 HydrophobicContact CD1-CB 3.92Å; I269-M275 HydrophobicContact CG1-CB 4.45Å; I269-M275 WeakPolarHBondContact CG1-O 3.32Å; I269-M275 PolarHBondContact N-O 3.37Å; I269-R277 HydrophobicContact CD1-CB 4.36Å; I269-R277 HydrophobicContact CG1-CB 4.27Å; I269-K284 HydrophobicContact CD1-CB 3.9Å; I269-K284 HydrophobicContact CD1-CD 3.56Å; I269-K284 HydrophobicContact CD1-CG 3.54Å
270	I	67	Low	69.9	Low	74 Å²	74	68.1 Å²	68.1	38%	0.379	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.3	-37.9	-176.2	-60.5	157.3	0	0	0	112.2	Q324 D328	I270-Q324 HydrophobicContact CD1-CB 4.01Å; I270-Q324 WeakPolarHBondContact CD1-O 3.36Å; I270-D328 HydrophobicContact CD1-CB 3.99Å
271	D	72.4	Confident	71.8	Confident	99 Å²	99	61.5 Å²	61.5	53%	0.529	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-10.2	-177.5	-45	-61	0	0	0	114.3	I269 K331	I269-D271 PolarHBondContact O-N 2.93Å; I269-D271 VanDerWaalsContact O-N 3.13Å; D271-K331 IonicContact OD1-NZ 3.14Å; D271-K331 PolarHBondContact OD1-NZ 3.13Å
272	N	76.2	Confident	73.4	Confident	83 Å²	83	56.9 Å²	56.9	44%	0.444	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	101.7	-175.5	-77.2	-91.7	0	0	0	110.6	I269 D274 M275	I269-N272 CarbonylContact O-C 3.56Å; I269-N272 VanDerWaalsContact O-C 3.31Å; I269-N272 PolarHBondContact O-N 2.72Å; I269-N272 VanDerWaalsContact O-O 3.04Å; N272-D274 VanDerWaalsContact C-N 3.27Å; N272-D274 PolarHBondContact O-N 3.01Å; N272-M275 HydrophobicContact CB-CB 3.99Å; N272-M275 HydrophobicContact CB-CG 4.03Å; N272-M275 PolarHBondContact O-N 3.37Å; N272-M275 VanDerWaalsContact O-N 3.14Å
273	P	77.5	Confident	75.1	Confident	104 Å²	104	59.4 Å²	59.4	68%	0.675	32%	0.316	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.4	-31.8	-175.5	25.8	-34.3	0	0	0	113.1	M275	P273-M275 PolarHBondContact O-N 3.03Å; P273-M275 VanDerWaalsContact O-N 3.15Å
274	D	81.9	Confident	76.6	Confident	116 Å²	116	61.7 Å²	61.7	62%	0.62	32%	0.319	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.7	-2.1	179.6	-57.9	-23.9	0	0	0	113.8	N272 K286 I287	N272-D274 VanDerWaalsContact C-N 3.27Å; N272-D274 PolarHBondContact O-N 3.01Å; D274-K286 WeakPolarHBondContact O-CA 3.2Å; D274-I287 PolarHBondContact O-N 3.46Å
275	M	83.8	Confident	77.8	Confident	53 Å²	53	60.2 Å²	60.2	26%	0.261	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	128.6	-172	-65.9	-76.9	-86.3	0	0	111.7	I269 N272 P273 K284 F285 K286	I269-M275 HydrophobicContact CB-CB 4.47Å; I269-M275 WeakPolarHBondContact CB-O 3.4Å; I269-M275 HydrophobicContact CD1-CB 3.92Å; I269-M275 HydrophobicContact CG1-CB 4.45Å; I269-M275 WeakPolarHBondContact CG1-O 3.32Å; I269-M275 PolarHBondContact N-O 3.37Å; N272-M275 HydrophobicContact CB-CB 3.99Å; N272-M275 HydrophobicContact CB-CG 4.03Å; N272-M275 PolarHBondContact O-N 3.37Å; N272-M275 VanDerWaalsContact O-N 3.14Å; P273-M275 PolarHBondContact O-N 3.03Å; P273-M275 VanDerWaalsContact O-N 3.15Å; M275-K284 HydrophobicContact CE-CB 3.81Å; M275-F285 CarbonylContact C-O 3.53Å; M275-F285 WeakPolarHBondContact CA-O 3.37Å; M275-K286 HydrophobicContact SD-CG 3.92Å
276	M	83	Confident	78.5	Confident	46 Å²	46	64 Å²	64	23%	0.227	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	150.3	171.8	-65	-173.4	176.2	0	0	111.1	L266 I267 K284 F285 I287 A290	L266-M276 HydrophobicContact CB-SD 4.09Å; L266-M276 HydrophobicContact CD1-SD 3.63Å; L266-M276 HydrophobicContact CD2-CB 4.3Å; L266-M276 HydrophobicContact CG-SD 4.32Å; I267-M276 CarbonylContact O-C 3.59Å; I267-M276 WeakPolarHBondContact O-CA 3.46Å; M276-K284 CarbonylContact O-C 3.53Å; M276-K284 WeakPolarHBondContact O-CA 3.44Å; M276-F285 PolarHBondContact N-O 2.9Å; M276-F285 PolarHBondContact O-N 3.24Å; M276-I287 HydrophobicContact CE-CB 4.46Å; M276-I287 HydrophobicContact CE-CG1 4.06Å; M276-I287 HydrophobicContact CE-CG2 3.88Å; M276-I287 HydrophobicContact CG-CG1 4.21Å; M276-I287 HydrophobicContact SD-CG2 4.4Å; M276-A290 HydrophobicContact CB-CB 3.77Å; M276-A290 HydrophobicContact CG-CB 4.46Å; M276-A290 HydrophobicContact SD-CB 4.25Å
277	R	80.6	Confident	78.7	Confident	36 Å²	36	67.1 Å²	67.1	14%	0.136	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	131	173.7	-170.8	-178.3	-67.4	-101.8	18.2	110	I267 I269 Y282 F320	I267-R277 PolarHBondContact N-O 3.02Å; I267-R277 PolarHBondContact O-N 2.9Å; I269-R277 HydrophobicContact CD1-CB 4.36Å; I269-R277 HydrophobicContact CG1-CB 4.27Å; R277-Y282 WeakPolarHBondContact CG-O 3.48Å; R277-Y282 PolarHBondContact NH1-O 3.13Å; R277-F320 VanDerWaalsContact NH2-CZ 3.25Å
278	C	81.1	Confident	79	Confident	0 Å²	0	71.1 Å²	71.1	0%	0	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	130.7	170.6	-178.3	0	0	0	0	110.8	I280 Y282 R283 F285	C278-I280 PolarHBondContact O-N 3.35Å; C278-I280 PolarHBondContact SG-N 3.29Å; C278-I280 VanDerWaalsContact SG-N 3.42Å; C278-Y282 WeakPolarHBondContact O-CA 3.46Å; C278-Y282 PolarHBondContact O-N 3.37Å; C278-R283 PolarHBondContact N-O 3.09Å; C278-R283 VanDerWaalsContact N-O 3.15Å; C278-F285 HydrophobicContact CB-CE2 4.22Å
279	L	73.5	Confident	79.5	Confident	32 Å²	32	70 Å²	70	17%	0.168	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-20.3	175.9	-95.7	158.6	0	0	0	114.3	T264 N265 I267 P317	T264-L279 VanDerWaalsContact O-CD1 3.22Å; T264-L279 WeakPolarHBondContact O-CD1 3.29Å; N265-L279 WeakPolarHBondContact O-CB 3.2Å; N265-L279 PolarHBondContact O-N 3.35Å; I267-L279 HydrophobicContact CD1-CD2 3.87Å; I267-L279 HydrophobicContact CD1-CG 3.92Å; I267-L279 HydrophobicContact CG1-CD1 4.24Å; I267-L279 HydrophobicContact CG1-CD2 4.38Å; I267-L279 HydrophobicContact CG1-CG 3.88Å; L279-P317 HydrophobicContact CD2-CB 4.4Å
280	I	73.1	Confident	80	Confident	56 Å²	56	69.7 Å²	69.7	29%	0.287	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-48.4	-172.2	-51.1	172.7	0	0	0	110.9	C278 C297 T298	C278-I280 PolarHBondContact O-N 3.35Å; C278-I280 PolarHBondContact SG-N 3.29Å; C278-I280 VanDerWaalsContact SG-N 3.42Å; I280-C297 HydrophobicContact CD1-CB 4.22Å; I280-T298 HydrophobicContact CD1-CG2 3.51Å
281	C	75.6	Confident	80.7	Confident	42 Å²	42	68.8 Å²	68.8	28%	0.284	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.8	-1.1	-177.3	77.2	0	0	0	0	115	R283 H293	C281-R283 PolarHBondContact O-N 3.45Å; C281-R283 PolarHBondContact SG-N 2.8Å; C281-H293 PolarHBondContact SG-NE2 2.99Å
282	Y	76.4	Confident	81.3	Confident	25 Å²	25	71 Å²	71	10%	0.098	35%	0.352	C	S	.	.			trans	55.6	3.9	-175.1	-52.4	-82.1	0	0	0	117.9	R277 C278 S309 Y315 P317 F320	R277-Y282 WeakPolarHBondContact CG-O 3.48Å; R277-Y282 PolarHBondContact NH1-O 3.13Å; C278-Y282 WeakPolarHBondContact O-CA 3.46Å; C278-Y282 PolarHBondContact O-N 3.37Å; Y282-S309 VanDerWaalsContact CE2-O 3.31Å; Y282-S309 WeakPolarHBondContact CE2-O 3.37Å; Y282-Y315 PolarHBondContact OH-O 2.98Å; Y282-P317 HydrophobicContact CE1-CB 4.12Å; Y282-P317 HydrophobicContact CE1-CG 4.44Å; Y282-P317 WeakPolarHBondContact OH-CA 3.22Å; Y282-P317 WeakPolarHBondContact OH-CD 3.35Å; Y282-P317 VanDerWaalsContact OH-CG 3.25Å; Y282-P317 WeakPolarHBondContact OH-CG 3.34Å; Y282-F320 HydrophobicContact CE1-CB 4.45Å
283	R	79.3	Confident	81.7	Confident	172 Å²	172	68.7 Å²	68.7	65%	0.649	34%	0.338	S	S	*	.			trans	-64.1	144.5	174.7	-65.5	176.3	-175.8	-177.3	1.1	109.6	C278 C281 F285	C278-R283 PolarHBondContact N-O 3.09Å; C278-R283 VanDerWaalsContact N-O 3.15Å; C281-R283 PolarHBondContact O-N 3.45Å; C281-R283 PolarHBondContact SG-N 2.8Å; R283-F285 HydrophobicContact CB-CD2 4.37Å; R283-F285 HydrophobicContact CB-CE1 4.36Å; R283-F285 HydrophobicContact CB-CE2 3.41Å; R283-F285 VanDerWaalsContact CB-CE2 3.41Å; R283-F285 HydrophobicContact CB-CZ 3.4Å; R283-F285 HydrophobicContact CG-CZ 4.39Å; R283-F285 WeakPolarHBondContact O-CD2 3.48Å; R283-F285 WeakPolarHBondContact O-CE2 3.35Å
284	K	85.8	Confident	81.7	Confident	108 Å²	108	64.7 Å²	64.7	47%	0.47	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	136.1	176.1	-52.3	-177.8	174.6	-176.5	0	108.4	I269 M275 M276	I269-K284 HydrophobicContact CD1-CB 3.9Å; I269-K284 HydrophobicContact CD1-CD 3.56Å; I269-K284 HydrophobicContact CD1-CG 3.54Å; M275-K284 HydrophobicContact CE-CB 3.81Å; M276-K284 CarbonylContact O-C 3.53Å; M276-K284 WeakPolarHBondContact O-CA 3.44Å
285	F	85.7	Confident	81.6	Confident	37 Å²	37	64.4 Å²	64.4	16%	0.162	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	152.7	179.6	-60.5	-77.8	0	0	0	109.2	M275 M276 C278 R283 V289 A290 H293	M275-F285 CarbonylContact C-O 3.53Å; M275-F285 WeakPolarHBondContact CA-O 3.37Å; M276-F285 PolarHBondContact N-O 2.9Å; M276-F285 PolarHBondContact O-N 3.24Å; C278-F285 HydrophobicContact CB-CE2 4.22Å; R283-F285 HydrophobicContact CB-CD2 4.37Å; R283-F285 HydrophobicContact CB-CE1 4.36Å; R283-F285 HydrophobicContact CB-CE2 3.41Å; R283-F285 VanDerWaalsContact CB-CE2 3.41Å; R283-F285 HydrophobicContact CB-CZ 3.4Å; R283-F285 HydrophobicContact CG-CZ 4.39Å; R283-F285 WeakPolarHBondContact O-CD2 3.48Å; R283-F285 WeakPolarHBondContact O-CE2 3.35Å; F285-V289 HydrophobicContact CB-CB 4.18Å; F285-V289 HydrophobicContact CB-CG1 4.26Å; F285-V289 HydrophobicContact CD1-CG1 3.71Å; F285-V289 HydrophobicContact CG-CG1 4.31Å; F285-A290 HydrophobicContact CB-CB 3.91Å; F285-H293 HydrophobicContact CD1-CB 4.42Å; F285-H293 HydrophobicContact CD2-CB 4.15Å; F285-H293 AromaticContact CD2-CD2 3.83Å; F285-H293 AromaticContact CD2-CG 3.86Å; F285-H293 HydrophobicContact CE1-CB 4.31Å; F285-H293 AromaticContact CE1-CG 3.94Å; F285-H293 AromaticContact CE1-ND1 3.86Å; F285-H293 HydrophobicContact CE2-CB 4.03Å; F285-H293 AromaticContact CE2-CD2 3.15Å; F285-H293 WeakPolarHBondContact CE2-CD2 3.43Å; F285-H293 AromaticContact CE2-CE1 3.74Å; F285-H293 AromaticContact CE2-CG 3.27Å; F285-H293 AromaticContact CE2-ND1 3.65Å; F285-H293 AromaticContact CE2-NE2 3.46Å; F285-H293 WeakPolarHBondContact CE2-NE2 3.48Å; F285-H293 HydrophobicContact CG-CB 4.34Å; F285-H293 HydrophobicContact CZ-CB 4.12Å; F285-H293 AromaticContact CZ-CD2 3.63Å; F285-H293 AromaticContact CZ-CE1 3.45Å; F285-H293 VanDerWaalsContact CZ-CE1 3.45Å; F285-H293 WeakPolarHBondContact CZ-CE1 3.44Å; F285-H293 AromaticContact CZ-CG 3.32Å; F285-H293 AromaticContact CZ-ND1 3.22Å; F285-H293 WeakPolarHBondContact CZ-ND1 3.33Å; F285-H293 AromaticContact CZ-NE2 3.7Å
286	K	87.1	Confident	81.4	Confident	133 Å²	133	65.2 Å²	65.2	58%	0.578	31%	0.314	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.4	153.3	163.5	-63	-173	174.2	-171.5	0	109.9	D274 M275 D288 V289 A290	D274-K286 WeakPolarHBondContact O-CA 3.2Å; M275-K286 HydrophobicContact SD-CG 3.92Å; K286-D288 WeakPolarHBondContact CB-OD1 3.18Å; K286-D288 PolarHBondContact O-N 3.44Å; K286-V289 PolarHBondContact O-N 3.36Å; K286-A290 WeakPolarHBondContact O-CB 3.05Å; K286-A290 PolarHBondContact O-N 3.08Å
287	I	83.4	Confident	81.1	Confident	76 Å²	76	63.9 Å²	63.9	39%	0.39	31%	0.309	S	S	.	.	H	α-helix	trans	-48.3	-46.3	-175.3	-61	174.4	0	0	0	112.3	D274 M276 V289 A290	D274-I287 PolarHBondContact O-N 3.46Å; M276-I287 HydrophobicContact CE-CB 4.46Å; M276-I287 HydrophobicContact CE-CG1 4.06Å; M276-I287 HydrophobicContact CE-CG2 3.88Å; M276-I287 HydrophobicContact CG-CG1 4.21Å; M276-I287 HydrophobicContact SD-CG2 4.4Å; I287-V289 VanDerWaalsContact C-N 3.32Å; I287-V289 PolarHBondContact O-N 2.98Å; I287-A290 PolarHBondContact O-N 3.32Å
288	D	83.9	Confident	80.7	Confident	106 Å²	106	65.2 Å²	65.2	57%	0.567	32%	0.322	S	S	*	.	H	α-helix	trans	-64.9	-27.2	179.5	58	-57.7	0	0	0	114.6	K286	K286-D288 WeakPolarHBondContact CB-OD1 3.18Å; K286-D288 PolarHBondContact O-N 3.44Å
289	V	88.5	Confident	79.9	Confident	65 Å²	65	75.3 Å²	75.3	39%	0.394	36%	0.36	S	S	.	.	H	α-helix	trans	-92	-29.3	176.6	-177.6	0	0	0	0	111.2	F285 K286 I287 T291 H293	F285-V289 HydrophobicContact CB-CB 4.18Å; F285-V289 HydrophobicContact CB-CG1 4.26Å; F285-V289 HydrophobicContact CD1-CG1 3.71Å; F285-V289 HydrophobicContact CG-CG1 4.31Å; K286-V289 PolarHBondContact O-N 3.36Å; I287-V289 VanDerWaalsContact C-N 3.32Å; I287-V289 PolarHBondContact O-N 2.98Å; V289-T291 PolarHBondContact O-N 3.39Å; V289-H293 VanDerWaalsContact O-CB 3.29Å; V289-H293 WeakPolarHBondContact O-CB 3.3Å; V289-H293 PolarHBondContact O-N 3.05Å
290	A	84.3	Confident	79.4	Confident	0 Å²	0	81 Å²	81	0%	0	38%	0.383	C	S	.	.	H	α-helix	trans	-63.7	-38.8	-172.9	0	0	0	0	0	113.3	L266 M276 F285 K286 I287 H293 V294	L266-A290 HydrophobicContact CD1-CB 3.92Å; L266-A290 HydrophobicContact CD2-CB 3.84Å; M276-A290 HydrophobicContact CB-CB 3.77Å; M276-A290 HydrophobicContact CG-CB 4.46Å; M276-A290 HydrophobicContact SD-CB 4.25Å; F285-A290 HydrophobicContact CB-CB 3.91Å; K286-A290 WeakPolarHBondContact O-CB 3.05Å; K286-A290 PolarHBondContact O-N 3.08Å; I287-A290 PolarHBondContact O-N 3.32Å; A290-H293 PolarHBondContact O-N 3.09Å; A290-V294 WeakPolarHBondContact O-CG2 3.46Å; A290-V294 PolarHBondContact O-N 3.48Å
291	T	81.6	Confident	78.3	Confident	55 Å²	55	80.5 Å²	80.5	34%	0.337	39%	0.392	S	S	.	.	H	α-helix	trans	-62.1	-58.5	177.6	51.9	0	0	0	0	111.4	L266 V289 H293 V294 E295	L266-T291 HydrophobicContact CD1-CG2 4.41Å; V289-T291 PolarHBondContact O-N 3.39Å; T291-H293 PolarHBondContact O-N 3.44Å; T291-V294 PolarHBondContact O-N 3.01Å; T291-E295 PolarHBondContact O-N 3.38Å; T291-E295 VanDerWaalsContact O-N 3.15Å
292	K	84.3	Confident	77.1	Confident	147 Å²	147	87.1 Å²	87.1	64%	0.639	42%	0.424	S	S	*	.	H	α-helix	trans	-56.6	-38	175.3	-64.9	179.6	-179.9	175.4	0	112.4	T296	K292-T296 PolarHBondContact O-N 2.61Å; K292-T296 PolarHBondContact O-OG1 2.99Å
293	H	84.7	Confident	75.3	Confident	34 Å²	34	87.9 Å²	87.9	16%	0.157	44%	0.44	C	S	.	.	H	α-helix	trans	-63.5	-45.9	175.6	176	74.3	0	0	0	111.6	C281 F285 V289 A290 T291 E295 T296 C297	C281-H293 PolarHBondContact SG-NE2 2.99Å; F285-H293 HydrophobicContact CD1-CB 4.42Å; F285-H293 HydrophobicContact CD2-CB 4.15Å; F285-H293 AromaticContact CD2-CD2 3.83Å; F285-H293 AromaticContact CD2-CG 3.86Å; F285-H293 HydrophobicContact CE1-CB 4.31Å; F285-H293 AromaticContact CE1-CG 3.94Å; F285-H293 AromaticContact CE1-ND1 3.86Å; F285-H293 HydrophobicContact CE2-CB 4.03Å; F285-H293 AromaticContact CE2-CD2 3.15Å; F285-H293 WeakPolarHBondContact CE2-CD2 3.43Å; F285-H293 AromaticContact CE2-CE1 3.74Å; F285-H293 AromaticContact CE2-CG 3.27Å; F285-H293 AromaticContact CE2-ND1 3.65Å; F285-H293 AromaticContact CE2-NE2 3.46Å; F285-H293 WeakPolarHBondContact CE2-NE2 3.48Å; F285-H293 HydrophobicContact CG-CB 4.34Å; F285-H293 HydrophobicContact CZ-CB 4.12Å; F285-H293 AromaticContact CZ-CD2 3.63Å; F285-H293 AromaticContact CZ-CE1 3.45Å; F285-H293 VanDerWaalsContact CZ-CE1 3.45Å; F285-H293 WeakPolarHBondContact CZ-CE1 3.44Å; F285-H293 AromaticContact CZ-CG 3.32Å; F285-H293 AromaticContact CZ-ND1 3.22Å; F285-H293 WeakPolarHBondContact CZ-ND1 3.33Å; F285-H293 AromaticContact CZ-NE2 3.7Å; V289-H293 VanDerWaalsContact O-CB 3.29Å; V289-H293 WeakPolarHBondContact O-CB 3.3Å; V289-H293 PolarHBondContact O-N 3.05Å; A290-H293 PolarHBondContact O-N 3.09Å; T291-H293 PolarHBondContact O-N 3.44Å; H293-E295 PolarHBondContact O-N 3.47Å; H293-T296 CarbonylContact O-C 3.37Å; H293-T296 WeakPolarHBondContact O-CB 3.23Å; H293-T296 PolarHBondContact O-N 3.08Å; H293-T296 VanDerWaalsContact O-N 3.13Å; H293-C297 WeakPolarHBondContact NE2-CB 3.46Å; H293-C297 WeakPolarHBondContact O-CB 3.15Å; H293-C297 PolarHBondContact O-N 3.06Å
294	V	79.4	Confident	73.3	Confident	20 Å²	20	85.6 Å²	85.6	12%	0.121	45%	0.445	C	S	.	.	H	α-helix	trans	-60.4	-44.8	178.7	161.8	0	0	0	0	111.7	N265 L266 A290 T291 T296 C297 T298	N265-V294 HydrophobicContact CB-CG1 3.69Å; N265-V294 HydrophobicContact CB-CG2 4.16Å; L266-V294 HydrophobicContact CD1-CG2 4.43Å; L266-V294 HydrophobicContact CD2-CG2 3.39Å; L266-V294 HydrophobicContact CG-CG2 3.77Å; A290-V294 WeakPolarHBondContact O-CG2 3.46Å; A290-V294 PolarHBondContact O-N 3.48Å; T291-V294 PolarHBondContact O-N 3.01Å; V294-T296 PolarHBondContact O-N 2.89Å; V294-C297 PolarHBondContact O-N 3.43Å; V294-C297 VanDerWaalsContact O-N 3.13Å; V294-T298 HydrophobicContact CG1-CG2 4.2Å; V294-T298 WeakPolarHBondContact O-CG2 3.47Å; V294-T298 PolarHBondContact O-N 3.46Å; V294-T298 PolarHBondContact O-OG1 2.92Å
295	E	77.9	Confident	71.2	Confident	109 Å²	109	88.2 Å²	88.2	51%	0.509	47%	0.465	S	S	.	.	H	α-helix	trans	-59.1	-32.6	175.7	-66.6	173.8	-171.3	0	0	113.3	T291 H293 T298 R299	T291-E295 PolarHBondContact O-N 3.38Å; T291-E295 VanDerWaalsContact O-N 3.15Å; H293-E295 PolarHBondContact O-N 3.47Å; E295-T298 PolarHBondContact O-OG1 3.33Å; E295-R299 WeakPolarHBondContact O-CD 3.44Å; E295-R299 VanDerWaalsContact O-CG 3.25Å; E295-R299 WeakPolarHBondContact O-CG 3.38Å; E295-R299 PolarHBondContact O-NE 2.94Å
296	T	80.3	Confident	69.3	Low	70 Å²	70	91.6 Å²	91.6	43%	0.429	49%	0.493	S	S	.	.	H	α-helix	trans	-79.9	-37.8	176.3	-52.8	0	0	0	0	111.3	K292 H293 V294 K300	K292-T296 PolarHBondContact O-N 2.61Å; K292-T296 PolarHBondContact O-OG1 2.99Å; H293-T296 CarbonylContact O-C 3.37Å; H293-T296 WeakPolarHBondContact O-CB 3.23Å; H293-T296 PolarHBondContact O-N 3.08Å; H293-T296 VanDerWaalsContact O-N 3.13Å; V294-T296 PolarHBondContact O-N 2.89Å; T296-K300 HydrophobicContact CG2-CD 4.35Å; T296-K300 WeakPolarHBondContact O-CG 3.21Å; T296-K300 PolarHBondContact O-N 2.91Å; T296-K300 VanDerWaalsContact O-N 3.13Å
297	C	77.8	Confident	67.1	Low	18 Å²	18	92.2 Å²	92.2	12%	0.122	50%	0.502	C	S	.	.	H	α-helix	trans	-78.3	-30.7	-174.6	-159.2	0	0	0	0	112.5	I280 H293 V294 G301	I280-C297 HydrophobicContact CD1-CB 4.22Å; H293-C297 WeakPolarHBondContact NE2-CB 3.46Å; H293-C297 WeakPolarHBondContact O-CB 3.15Å; H293-C297 PolarHBondContact O-N 3.06Å; V294-C297 PolarHBondContact O-N 3.43Å; V294-C297 VanDerWaalsContact O-N 3.13Å; C297-G301 PolarHBondContact O-N 3.24Å
298	T	71	Confident	65.2	Low	64 Å²	64	90.3 Å²	90.3	39%	0.393	50%	0.5	S	S	.	.	H	α-helix	trans	-65.6	-48	168.6	50.2	0	0	0	0	110.8	I280 V294 E295 K300 G301	I280-T298 HydrophobicContact CD1-CG2 3.51Å; V294-T298 HydrophobicContact CG1-CG2 4.2Å; V294-T298 WeakPolarHBondContact O-CG2 3.47Å; V294-T298 PolarHBondContact O-N 3.46Å; V294-T298 PolarHBondContact O-OG1 2.92Å; E295-T298 PolarHBondContact O-OG1 3.33Å; T298-K300 VanDerWaalsContact C-N 3.3Å; T298-K300 PolarHBondContact O-N 3.47Å; T298-G301 PolarHBondContact O-N 3.06Å
299	R	65	Low	63.5	Low	212 Å²	212	87.7 Å²	87.7	80%	0.8	49%	0.49	S	S	*	.	H	α-helix	trans	-62.6	-32.7	179.1	-68.8	177.3	-154.7	-123.7	7.5	113.5	E295 G301	E295-R299 WeakPolarHBondContact O-CD 3.44Å; E295-R299 VanDerWaalsContact O-CG 3.25Å; E295-R299 WeakPolarHBondContact O-CG 3.38Å; E295-R299 PolarHBondContact O-NE 2.94Å; R299-G301 VanDerWaalsContact C-N 3.32Å
300	K	62	Low	61.6	Low	153 Å²	153	88 Å²	88	67%	0.665	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.7	-5.8	174.7	-69.1	-176.4	178	-172.2	0	113.9	T296 T298 N302 G303	T296-K300 HydrophobicContact CG2-CD 4.35Å; T296-K300 WeakPolarHBondContact O-CG 3.21Å; T296-K300 PolarHBondContact O-N 2.91Å; T296-K300 VanDerWaalsContact O-N 3.13Å; T298-K300 VanDerWaalsContact C-N 3.3Å; T298-K300 PolarHBondContact O-N 3.47Å; K300-N302 VanDerWaalsContact C-N 3.26Å; K300-N302 PolarHBondContact O-N 3.47Å; K300-G303 PolarHBondContact O-N 3.04Å
301	G	50.9	Low	59.8	Low	45 Å²	45	92.3 Å²	92.3	46%	0.464	52%	0.519	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-12.6	-163.6	0	0	0	0	0	117.8	C297 T298 R299	C297-G301 PolarHBondContact O-N 3.24Å; T298-G301 PolarHBondContact O-N 3.06Å; R299-G301 VanDerWaalsContact C-N 3.32Å
302	N	49.6	Very low	58.3	Low	180 Å²	180	93.9 Å²	93.9	96%	0.963	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.1	2.8	179.4	-76.5	-9.4	0	0	0	113.9	K300	K300-N302 VanDerWaalsContact C-N 3.26Å; K300-N302 PolarHBondContact O-N 3.47Å
303	G	38.6	Very low	56.9	Low	42 Å²	42	90 Å²	90	43%	0.433	53%	0.527	S	S	.	.	S	Bend	trans	-135.1	108.3	-166.8	0	0	0	0	0	114.4	K300	K300-G303 PolarHBondContact O-N 3.04Å
304	T	37.8	Very low	55.6	Low	124 Å²	124	91.6 Å²	91.6	76%	0.761	55%	0.551	S	S	*	*	S	Bend	trans	70.8	123.4	159.3	70.2	0	0	0	0	118.4
305	N	41.5	Very low	54.5	Low	163 Å²	163	96.4 Å²	96.4	87%	0.872	57%	0.568	S	S	*	*			trans	75.5	35.5	142.6	-51.4	-4.4	0	0	0	119.4
306	S	45	Very low	53.6	Low	108 Å²	108	92.9 Å²	92.9	76%	0.755	56%	0.556	S	S	*	*			trans	-138.1	121.7	156	58.1	0	0	0	0	111	G308	S306-G308 PolarHBondContact O-N 2.77Å
307	L	41.3	Very low	52.3	Low	146 Å²	146	91.4 Å²	91.4	76%	0.764	55%	0.548	S	S	*	.			trans	-45.8	136.9	170	-66.8	166.7	0	0	0	109.5	T311	L307-T311 HydrophobicContact CB-CG2 4.12Å
308	G	44.1	Very low	51.1	Low	35 Å²	35	95.3 Å²	95.3	36%	0.361	57%	0.566	S	S	.	*			trans	-52.7	158.1	-164.4	0	0	0	0	0	114.3	S306 T310 T311	S306-G308 PolarHBondContact O-N 2.77Å; G308-T310 PolarHBondContact O-N 2.97Å; G308-T311 PolarHBondContact N-OG1 3.49Å; G308-T311 WeakPolarHBondContact O-CB 3.11Å; G308-T311 PolarHBondContact O-N 3.43Å; G308-T311 PolarHBondContact O-OG1 2.89Å
309	S	48.3	Very low	50.5	Low	51 Å²	51	94.1 Å²	94.1	36%	0.357	56%	0.56	S	S	.	*	T	Hydrogen-bonded Turn	trans	-51.7	-31.1	-178.5	59.6	0	0	0	0	113.3	Y282	Y282-S309 VanDerWaalsContact CE2-O 3.31Å; Y282-S309 WeakPolarHBondContact CE2-O 3.37Å
310	T	47.6	Very low	50.1	Low	71 Å²	71	86.2 Å²	86.2	44%	0.436	53%	0.532	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-34.2	171.5	34.9	0	0	0	0	114.7	G308 A312 G314	G308-T310 PolarHBondContact O-N 2.97Å; T310-A312 PolarHBondContact O-N 2.96Å; T310-G314 WeakPolarHBondContact O-CA 3.32Å; T310-G314 PolarHBondContact O-N 3.36Å
311	T	48	Very low	50	Low	92 Å²	92	83.3 Å²	83.3	56%	0.564	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-32.9	-171.8	-38.4	0	0	0	0	113.2	L307 G308	L307-T311 HydrophobicContact CB-CG2 4.12Å; G308-T311 PolarHBondContact N-OG1 3.49Å; G308-T311 WeakPolarHBondContact O-CB 3.11Å; G308-T311 PolarHBondContact O-N 3.43Å; G308-T311 PolarHBondContact O-OG1 2.89Å
312	A	50.4	Low	50.4	Low	88 Å²	88	83 Å²	83	73%	0.727	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-16	-177.1	0	0	0	0	0	114.5	T310	T310-A312 PolarHBondContact O-N 2.96Å
313	T	54.8	Low	51.3	Low	66 Å²	66	79.6 Å²	79.6	41%	0.405	49%	0.487	S	S	.	.	T	Hydrogen-bonded Turn	trans	-128.2	-19.4	-175.1	62.8	0	0	0	0	114.2	Y315	T313-Y315 WeakPolarHBondContact O-CD2 3.28Å; T313-Y315 WeakPolarHBondContact O-CE2 3.31Å; T313-Y315 PolarHBondContact O-N 3.46Å; T313-Y315 PolarHBondContact OG1-N 3.09Å; T313-Y315 PolarHBondContact OG1-O 3.49Å
314	G	57.2	Low	52.4	Low	66 Å²	66	78.5 Å²	78.5	68%	0.68	47%	0.47	S	S	*	.	S	Bend	trans	77.2	-0.4	-168.8	0	0	0	0	0	114.3	T310	T310-G314 WeakPolarHBondContact O-CA 3.32Å; T310-G314 PolarHBondContact O-N 3.36Å
315	Y	55.2	Low	53.7	Low	121 Å²	121	78.1 Å²	78.1	48%	0.475	46%	0.456	S	S	.	.			trans	-121.1	145.6	-176.4	-62.9	-83.2	0	0	0	111.8	Y282 T313	Y282-Y315 PolarHBondContact OH-O 2.98Å; T313-Y315 WeakPolarHBondContact O-CD2 3.28Å; T313-Y315 WeakPolarHBondContact O-CE2 3.31Å; T313-Y315 PolarHBondContact O-N 3.46Å; T313-Y315 PolarHBondContact OG1-N 3.09Å; T313-Y315 PolarHBondContact OG1-O 3.49Å
316	S	60.1	Low	54.9	Low	35 Å²	35	72.6 Å²	72.6	25%	0.245	43%	0.432	C	S	.	.			trans	-79.6	163.6	171.8	79.6	0	0	0	0	110.2	I318 S319 F320	S316-I318 PolarHBondContact O-N 3.26Å; S316-I318 VanDerWaalsContact O-N 3.16Å; S316-I318 PolarHBondContact OG-N 2.97Å; S316-S319 PolarHBondContact N-OG 3.1Å; S316-S319 PolarHBondContact O-N 3.49Å; S316-S319 PolarHBondContact O-OG 3.3Å; S316-S319 PolarHBondContact OG-N 3.27Å; S316-S319 PolarHBondContact OG-OG 3.4Å; S316-F320 PolarHBondContact O-N 3.45Å
317	P	52.8	Low	56	Low	40 Å²	40	71.1 Å²	71.1	26%	0.26	41%	0.414	S	S	.	.	H	α-helix	trans	-62.4	-27.7	178.8	-20.3	29.7	0	0	0	112.2	L279 Y282 R321	L279-P317 HydrophobicContact CD2-CB 4.4Å; Y282-P317 HydrophobicContact CE1-CB 4.12Å; Y282-P317 HydrophobicContact CE1-CG 4.44Å; Y282-P317 WeakPolarHBondContact OH-CA 3.22Å; Y282-P317 WeakPolarHBondContact OH-CD 3.35Å; Y282-P317 VanDerWaalsContact OH-CG 3.25Å; Y282-P317 WeakPolarHBondContact OH-CG 3.34Å; P317-R321 WeakPolarHBondContact O-CB 3.48Å; P317-R321 PolarHBondContact O-N 2.93Å
318	I	51.8	Low	56.8	Low	100 Å²	100	65.6 Å²	65.6	51%	0.513	39%	0.385	S	S	.	.	H	α-helix	trans	-76.1	-48.9	179.1	-48.4	176.6	0	0	0	109.6	D104 S316 F320 R321 A322	D104-I318 HydrophobicContact CB-CG2 3.65Å; D104-I318 WeakPolarHBondContact OD2-CG2 3.39Å; S316-I318 PolarHBondContact O-N 3.26Å; S316-I318 VanDerWaalsContact O-N 3.16Å; S316-I318 PolarHBondContact OG-N 2.97Å; I318-F320 VanDerWaalsContact C-N 3.32Å; I318-F320 PolarHBondContact O-N 2.87Å; I318-R321 PolarHBondContact O-N 3.14Å; I318-R321 VanDerWaalsContact O-N 3.11Å; I318-A322 WeakPolarHBondContact O-CB 3.5Å; I318-A322 PolarHBondContact O-N 2.97Å
319	S	59.2	Low	57.7	Low	38 Å²	38	67.5 Å²	67.5	27%	0.266	39%	0.387	S	S	.	.	H	α-helix	trans	-68.4	-30.5	179.3	67.8	0	0	0	0	113	S316 K323	S316-S319 PolarHBondContact N-OG 3.1Å; S316-S319 PolarHBondContact O-N 3.49Å; S316-S319 PolarHBondContact O-OG 3.3Å; S316-S319 PolarHBondContact OG-N 3.27Å; S316-S319 PolarHBondContact OG-OG 3.4Å; S319-K323 WeakPolarHBondContact O-CB 3.27Å; S319-K323 PolarHBondContact O-N 3.07Å
320	F	56.6	Low	58.7	Low	47 Å²	47	71.4 Å²	71.4	21%	0.206	40%	0.399	C	S	.	.	H	α-helix	trans	-64.7	-43.3	169.4	-168.9	-91.9	0	0	0	112.1	R277 Y282 S316 I318 K323 Q324	R277-F320 VanDerWaalsContact NH2-CZ 3.25Å; Y282-F320 HydrophobicContact CE1-CB 4.45Å; S316-F320 PolarHBondContact O-N 3.45Å; I318-F320 VanDerWaalsContact C-N 3.32Å; I318-F320 PolarHBondContact O-N 2.87Å; F320-K323 PolarHBondContact O-N 3.03Å; F320-Q324 HydrophobicContact CD1-CG 4.24Å; F320-Q324 HydrophobicContact CE1-CG 3.78Å; F320-Q324 HydrophobicContact CZ-CG 4.22Å; F320-Q324 WeakPolarHBondContact O-CG 3.4Å; F320-Q324 PolarHBondContact O-N 3.33Å
321	R	58.3	Low	59.8	Low	91 Å²	91	72 Å²	72	34%	0.343	40%	0.395	S	S	.	.	H	α-helix	trans	-66.4	-41.7	176.5	175.5	174.3	-78.9	165.4	-4.5	112.1	R246 I267 P317 I318 K323 Q324 Y325	R246-R321 VanDerWaalsContact NH2-NH2 3.11Å; I267-R321 VanDerWaalsContact CD1-NH2 3.32Å; P317-R321 WeakPolarHBondContact O-CB 3.48Å; P317-R321 PolarHBondContact O-N 2.93Å; I318-R321 PolarHBondContact O-N 3.14Å; I318-R321 VanDerWaalsContact O-N 3.11Å; R321-K323 VanDerWaalsContact C-N 3.34Å; R321-K323 PolarHBondContact O-N 3.49Å; R321-Q324 PolarHBondContact O-N 3.06Å; R321-Y325 WeakPolarHBondContact O-CB 3.5Å; R321-Y325 PolarHBondContact O-N 3.11Å
322	A	61.1	Low	60.2	Low	40 Å²	40	75.4 Å²	75.4	33%	0.331	40%	0.398	S	S	.	.	H	α-helix	trans	-60.6	-43.1	175.4	0	0	0	0	0	111.3	I318 Y325 A326	I318-A322 WeakPolarHBondContact O-CB 3.5Å; I318-A322 PolarHBondContact O-N 2.97Å; A322-Y325 PolarHBondContact O-N 3.03Å; A322-A326 WeakPolarHBondContact O-CB 3.44Å; A322-A326 PolarHBondContact O-N 3.29Å
323	K	68.1	Low	60.6	Low	107 Å²	107	75.4 Å²	75.4	47%	0.465	39%	0.389	S	S	.	.	H	α-helix	trans	-60.5	-48.8	174.4	-178.9	171	175.4	172.8	0	112.3	S319 F320 R321 Y325 A326 E327	S319-K323 WeakPolarHBondContact O-CB 3.27Å; S319-K323 PolarHBondContact O-N 3.07Å; F320-K323 PolarHBondContact O-N 3.03Å; R321-K323 VanDerWaalsContact C-N 3.34Å; R321-K323 PolarHBondContact O-N 3.49Å; K323-Y325 VanDerWaalsContact C-N 3.29Å; K323-Y325 PolarHBondContact O-N 2.8Å; K323-A326 PolarHBondContact O-N 3.21Å; K323-E327 WeakPolarHBondContact CE-OE1 3.44Å; K323-E327 WeakPolarHBondContact CG-OE1 3.36Å; K323-E327 WeakPolarHBondContact O-CG 3.37Å; K323-E327 PolarHBondContact O-N 3.37Å
324	Q	61.4	Low	60.9	Low	19 Å²	19	76.8 Å²	76.8	9%	0.089	40%	0.401	C	S	.	.	H	α-helix	trans	-60	-38.2	176.7	-72.3	-165.2	-63.8	0	0	112.7	I270 F320 R321 E327 D328	I270-Q324 HydrophobicContact CD1-CB 4.01Å; I270-Q324 WeakPolarHBondContact CD1-O 3.36Å; F320-Q324 HydrophobicContact CD1-CG 4.24Å; F320-Q324 HydrophobicContact CE1-CG 3.78Å; F320-Q324 HydrophobicContact CZ-CG 4.22Å; F320-Q324 WeakPolarHBondContact O-CG 3.4Å; F320-Q324 PolarHBondContact O-N 3.33Å; R321-Q324 PolarHBondContact O-N 3.06Å; Q324-E327 PolarHBondContact O-N 2.99Å; Q324-D328 PolarHBondContact O-N 2.96Å
325	Y	64.2	Low	60.7	Low	117 Å²	117	80.3 Å²	80.3	46%	0.459	40%	0.404	S	S	.	.	H	α-helix	trans	-69.4	-38.4	177.3	-177.3	-115.5	0	0	0	112.6	R321 A322 K323 D328 L329	R321-Y325 WeakPolarHBondContact O-CB 3.5Å; R321-Y325 PolarHBondContact O-N 3.11Å; A322-Y325 PolarHBondContact O-N 3.03Å; K323-Y325 VanDerWaalsContact C-N 3.29Å; K323-Y325 PolarHBondContact O-N 2.8Å; Y325-D328 PolarHBondContact O-N 2.99Å; Y325-L329 HydrophobicContact CD1-CD1 3.98Å; Y325-L329 HydrophobicContact CE1-CD1 3.57Å; Y325-L329 HydrophobicContact CE1-CG 4.43Å; Y325-L329 PolarHBondContact O-N 3.24Å
326	A	67.7	Low	60	Low	46 Å²	46	82 Å²	82	38%	0.38	41%	0.414	S	S	.	.	H	α-helix	trans	-64.3	-41.3	173.3	0	0	0	0	0	112.2	A322 K323 L329 Q330	A322-A326 WeakPolarHBondContact O-CB 3.44Å; A322-A326 PolarHBondContact O-N 3.29Å; K323-A326 PolarHBondContact O-N 3.21Å; A326-L329 PolarHBondContact O-N 3.08Å; A326-Q330 WeakPolarHBondContact O-CG 3.28Å; A326-Q330 PolarHBondContact O-N 3.22Å
327	E	68.7	Low	58.8	Low	78 Å²	78	85.1 Å²	85.1	36%	0.364	43%	0.433	S	S	.	.	H	α-helix	trans	-62.8	-40.7	173.7	-71.9	167.7	177.8	0	0	111.6	K323 Q324 Q330 K331	K323-E327 WeakPolarHBondContact CE-OE1 3.44Å; K323-E327 WeakPolarHBondContact CG-OE1 3.36Å; K323-E327 WeakPolarHBondContact O-CG 3.37Å; K323-E327 PolarHBondContact O-N 3.37Å; Q324-E327 PolarHBondContact O-N 2.99Å; E327-Q330 PolarHBondContact O-N 3.38Å; E327-K331 WeakPolarHBondContact O-CG 3.46Å; E327-K331 PolarHBondContact O-N 3.27Å
328	D	56.9	Low	57.8	Low	30 Å²	30	88.9 Å²	88.9	16%	0.16	46%	0.456	C	S	.	.	H	α-helix	trans	-66.6	-41.6	175.9	-164.5	49	0	0	0	112.5	I270 Q324 Y325 Q330 K331 R332	I270-D328 HydrophobicContact CD1-CB 3.99Å; Q324-D328 PolarHBondContact O-N 2.96Å; Y325-D328 PolarHBondContact O-N 2.99Å; D328-Q330 VanDerWaalsContact C-N 3.34Å; D328-Q330 PolarHBondContact O-N 3.4Å; D328-K331 PolarHBondContact O-N 3.49Å; D328-R332 VanDerWaalsContact O-CG 3.3Å; D328-R332 WeakPolarHBondContact O-CG 3.35Å; D328-R332 PolarHBondContact O-N 2.78Å; D328-R332 IonicContact OD1-NE 2.61Å; D328-R332 IonicContact OD2-CZ 3.97Å; D328-R332 IonicContact OD2-NE 2.65Å; D328-R332 PolarHBondContact OD2-NE 2.86Å; D328-R332 IonicContact OD2-NH2 2.79Å; D328-R332 PolarHBondContact OD2-NH2 2.86Å
329	L	63.1	Low	56.8	Low	75 Å²	75	91.9 Å²	91.9	39%	0.393	47%	0.469	S	S	.	.	H	α-helix	trans	-60.2	-41.5	172.3	-84.3	166.4	0	0	0	112.1	Y325 A326 R332 T333	Y325-L329 HydrophobicContact CD1-CD1 3.98Å; Y325-L329 HydrophobicContact CE1-CD1 3.57Å; Y325-L329 HydrophobicContact CE1-CG 4.43Å; Y325-L329 PolarHBondContact O-N 3.24Å; A326-L329 PolarHBondContact O-N 3.08Å; L329-R332 PolarHBondContact O-N 2.79Å; L329-T333 WeakPolarHBondContact O-CB 3.48Å; L329-T333 WeakPolarHBondContact O-CG2 3.37Å; L329-T333 PolarHBondContact O-N 3.03Å; L329-T333 PolarHBondContact O-OG1 3.16Å
330	Q	69.3	Low	55.6	Low	132 Å²	132	95.2 Å²	95.2	62%	0.617	49%	0.489	S	S	*	.	H	α-helix	trans	-63.2	-44	174.6	-74.6	179.4	0.4	0	0	111.7	A326 E327 D328 T333 S334	A326-Q330 WeakPolarHBondContact O-CG 3.28Å; A326-Q330 PolarHBondContact O-N 3.22Å; E327-Q330 PolarHBondContact O-N 3.38Å; D328-Q330 VanDerWaalsContact C-N 3.34Å; D328-Q330 PolarHBondContact O-N 3.4Å; Q330-T333 WeakPolarHBondContact CA-OG1 3.48Å; Q330-T333 PolarHBondContact O-N 2.94Å; Q330-T333 PolarHBondContact O-OG1 3.46Å; Q330-S334 PolarHBondContact O-N 3.47Å; Q330-S334 PolarHBondContact O-OG 3.4Å
331	K	70.1	Confident	54.4	Low	83 Å²	83	97.1 Å²	97.1	36%	0.361	51%	0.507	S	S	.	.	H	α-helix	trans	-60.4	-45.3	173.7	-72.4	176.9	-179.6	-179.9	0	112.1	D271 E327 D328 T333 S334 L335	D271-K331 IonicContact OD1-NZ 3.14Å; D271-K331 PolarHBondContact OD1-NZ 3.13Å; E327-K331 WeakPolarHBondContact O-CG 3.46Å; E327-K331 PolarHBondContact O-N 3.27Å; D328-K331 PolarHBondContact O-N 3.49Å; K331-T333 PolarHBondContact O-N 3.1Å; K331-S334 WeakPolarHBondContact CA-OG 3.33Å; K331-S334 PolarHBondContact O-N 2.9Å; K331-S334 PolarHBondContact O-OG 3.3Å; K331-S334 VanDerWaalsContact O-OG 3.06Å; K331-L335 VanDerWaalsContact O-CB 3.31Å; K331-L335 WeakPolarHBondContact O-CB 3.39Å; K331-L335 VanDerWaalsContact O-CG 3.28Å; K331-L335 WeakPolarHBondContact O-CG 3.49Å; K331-L335 PolarHBondContact O-N 2.96Å
332	R	57.9	Low	53.1	Low	164 Å²	164	98.8 Å²	98.8	62%	0.619	52%	0.523	S	S	*	.	H	α-helix	trans	-64.9	-36.3	177.5	-68.9	175.1	-165.4	-144.7	6.6	113.4	D328 L329 L335	D328-R332 VanDerWaalsContact O-CG 3.3Å; D328-R332 WeakPolarHBondContact O-CG 3.35Å; D328-R332 PolarHBondContact O-N 2.78Å; D328-R332 IonicContact OD1-NE 2.61Å; D328-R332 IonicContact OD2-CZ 3.97Å; D328-R332 IonicContact OD2-NE 2.65Å; D328-R332 PolarHBondContact OD2-NE 2.86Å; D328-R332 IonicContact OD2-NH2 2.79Å; D328-R332 PolarHBondContact OD2-NH2 2.86Å; L329-R332 PolarHBondContact O-N 2.79Å; R332-L335 CarbonylContact O-C 3.59Å
333	T	59.2	Low	52	Low	89 Å²	89	101.7 Å²	101.7	55%	0.546	53%	0.533	S	S	.	.	H	α-helix	trans	-76.8	-28.1	179.2	50.5	0	0	0	0	113.4	L329 Q330 K331	L329-T333 WeakPolarHBondContact O-CB 3.48Å; L329-T333 WeakPolarHBondContact O-CG2 3.37Å; L329-T333 PolarHBondContact O-N 3.03Å; L329-T333 PolarHBondContact O-OG1 3.16Å; Q330-T333 WeakPolarHBondContact CA-OG1 3.48Å; Q330-T333 PolarHBondContact O-N 2.94Å; Q330-T333 PolarHBondContact O-OG1 3.46Å; K331-T333 PolarHBondContact O-N 3.1Å
334	S	59.3	Low	50.7	Low	94 Å²	94	104.5 Å²	104.5	66%	0.657	55%	0.548	S	S	*	.	H	α-helix	trans	-79.9	-31.7	171.1	45.3	0	0	0	0	112.4	Q330 K331 K336	Q330-S334 PolarHBondContact O-N 3.47Å; Q330-S334 PolarHBondContact O-OG 3.4Å; K331-S334 WeakPolarHBondContact CA-OG 3.33Å; K331-S334 PolarHBondContact O-N 2.9Å; K331-S334 PolarHBondContact O-OG 3.3Å; K331-S334 VanDerWaalsContact O-OG 3.06Å; S334-K336 PolarHBondContact O-N 3.37Å; S334-K336 VanDerWaalsContact O-N 3.08Å
335	L	53.6	Low	49.8	Very low	141 Å²	141	106.4 Å²	106.4	74%	0.738	56%	0.563	S	S	*	*			trans	-79.5	43.1	165.8	-64.3	171.1	0	0	0	112.8	K331 R332	K331-L335 VanDerWaalsContact O-CB 3.31Å; K331-L335 WeakPolarHBondContact O-CB 3.39Å; K331-L335 VanDerWaalsContact O-CG 3.28Å; K331-L335 WeakPolarHBondContact O-CG 3.49Å; K331-L335 PolarHBondContact O-N 2.96Å; R332-L335 CarbonylContact O-C 3.59Å
336	K	39.9	Very low	48.8	Very low	156 Å²	156	107.6 Å²	107.6	68%	0.678	57%	0.571	S	S	*	*			trans	-66.6	131.7	161.3	-87.8	-178.9	177.6	-179.1	0	108.1	S334 T338	S334-K336 PolarHBondContact O-N 3.37Å; S334-K336 VanDerWaalsContact O-N 3.08Å; K336-T338 PolarHBondContact O-N 3.47Å
337	P	35.9	Very low	47.6	Very low	100 Å²	100	110.9 Å²	110.9	65%	0.649	58%	0.582	S	S	*	*			trans	-64.5	115.4	177.5	25	-30.9	0	0	0	108.4	M339	P337-M339 HydrophobicContact CB-CE 4.13Å; P337-M339 PolarHBondContact O-N 3.39Å
338	T	31.6	Very low	46.5	Very low	120 Å²	120	112.4 Å²	112.4	74%	0.736	59%	0.589	S	S	*	*			trans	-61.9	92.4	163.4	-46	0	0	0	0	106.7	K336 T340	K336-T338 PolarHBondContact O-N 3.47Å; T338-T340 HydrophobicContact CG2-CG2 3.87Å; T338-T340 PolarHBondContact O-N 2.84Å
339	M	31.9	Very low	46.2	Very low	162 Å²	162	115.6 Å²	115.6	80%	0.798	61%	0.605	S	S	*	*			trans	-66	84.2	162.8	-75.6	-70.5	132.2	0	0	106.4	P337 S341	P337-M339 HydrophobicContact CB-CE 4.13Å; P337-M339 PolarHBondContact O-N 3.39Å; M339-S341 PolarHBondContact O-N 3.02Å
340	T	32.3	Very low	45.7	Very low	109 Å²	109	118 Å²	118	67%	0.669	61%	0.614	S	S	*	*			trans	-62	89.8	171.8	35.6	0	0	0	0	107.6	T338 N342	T338-T340 HydrophobicContact CG2-CG2 3.87Å; T338-T340 PolarHBondContact O-N 2.84Å; T340-N342 PolarHBondContact O-N 2.83Å
341	S	32.9	Very low	44.8	Very low	86 Å²	86	120.1 Å²	120.1	60%	0.601	62%	0.617	S	S	*	*			trans	-59.4	113.8	169	56	0	0	0	0	107.5	M339 N343	M339-S341 PolarHBondContact O-N 3.02Å; S341-N343 PolarHBondContact O-N 2.73Å
342	N	31.1	Very low	44.1	Very low	127 Å²	127	123.9 Å²	123.9	68%	0.679	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70	58.7	177.4	-97.2	-29.4	0	0	0	111.1	T340	T340-N342 PolarHBondContact O-N 2.83Å
343	N	36.7	Very low	44	Very low	101 Å²	101	122 Å²	122	54%	0.54	63%	0.625	S	S	.	*	T	Hydrogen-bonded Turn	trans	-120.7	-10.7	-179.2	-76.2	-20.7	0	0	0	112.7	S341	S341-N343 PolarHBondContact O-N 2.73Å
344	Q	42	Very low	43.8	Very low	165 Å²	165	121.4 Å²	121.4	77%	0.771	62%	0.622	S	S	*	*	H	α-helix	trans	-82.7	-35.9	173	-75.5	178.3	-31.8	0	0	112.7	K346 N347 E348	Q344-K346 VanDerWaalsContact C-N 3.34Å; Q344-K346 PolarHBondContact O-N 3.35Å; Q344-N347 PolarHBondContact O-N 3.09Å; Q344-E348 PolarHBondContact O-N 3.2Å
345	S	42.2	Very low	43.6	Very low	59 Å²	59	123.3 Å²	123.3	41%	0.413	62%	0.62	S	S	.	*	H	α-helix	trans	-66.6	-30.8	177.3	60.1	0	0	0	0	113.7	I349	S345-I349 WeakPolarHBondContact O-CB 3.25Å; S345-I349 WeakPolarHBondContact O-CD1 3.42Å; S345-I349 VanDerWaalsContact O-CG1 3.25Å; S345-I349 WeakPolarHBondContact O-CG1 3.47Å; S345-I349 PolarHBondContact O-N 3.22Å; S345-I349 VanDerWaalsContact O-N 3.09Å
346	K	41.7	Very low	43.6	Very low	143 Å²	143	121 Å²	121	62%	0.622	61%	0.612	S	S	*	*	H	α-helix	trans	-69.3	-38.9	176.3	-72.9	-177.4	176.9	177.1	0	112.6	Q344 Q350	Q344-K346 VanDerWaalsContact C-N 3.34Å; Q344-K346 PolarHBondContact O-N 3.35Å; K346-Q350 WeakPolarHBondContact O-CB 3.46Å; K346-Q350 PolarHBondContact O-N 3.38Å; K346-Q350 VanDerWaalsContact O-N 3.11Å
347	N	43.2	Very low	44.3	Very low	115 Å²	115	121.3 Å²	121.3	62%	0.615	62%	0.616	S	S	*	*	H	α-helix	trans	-73.8	-28.8	178.5	-74.5	-22.7	0	0	0	112.8	Q344 R351	Q344-N347 PolarHBondContact O-N 3.09Å; N347-R351 WeakPolarHBondContact O-CG 3.46Å; N347-R351 PolarHBondContact O-N 3.34Å; N347-R351 VanDerWaalsContact O-N 3.14Å
348	E	46.1	Very low	45.2	Very low	109 Å²	109	123.6 Å²	123.6	51%	0.509	62%	0.621	S	S	.	*	H	α-helix	trans	-81.3	-32.1	177.4	-154.7	168.8	151.5	0	0	113	Q344 Q350 R351 R352	Q344-E348 PolarHBondContact O-N 3.2Å; E348-Q350 VanDerWaalsContact C-N 3.33Å; E348-R351 PolarHBondContact O-N 3.11Å; E348-R352 WeakPolarHBondContact O-CG 3.44Å; E348-R352 PolarHBondContact O-N 3.3Å; E348-R352 VanDerWaalsContact O-N 3.09Å; E348-R352 IonicContact OE1-NE 3.99Å; E348-R352 IonicContact OE1-NH2 3.2Å; E348-R352 PolarHBondContact OE1-NH2 3.09Å
349	I	50.6	Low	46.1	Very low	98 Å²	98	128.7 Å²	128.7	50%	0.503	63%	0.627	S	S	.	*	H	α-helix	trans	-66.8	-35.3	168.7	-69.1	167.5	0	0	0	111.1	S345 K353	S345-I349 WeakPolarHBondContact O-CB 3.25Å; S345-I349 WeakPolarHBondContact O-CD1 3.42Å; S345-I349 VanDerWaalsContact O-CG1 3.25Å; S345-I349 WeakPolarHBondContact O-CG1 3.47Å; S345-I349 PolarHBondContact O-N 3.22Å; S345-I349 VanDerWaalsContact O-N 3.09Å; I349-K353 WeakPolarHBondContact O-CG 3.46Å; I349-K353 PolarHBondContact O-N 3.48Å
350	Q	51.5	Low	46.7	Very low	124 Å²	124	132.5 Å²	132.5	58%	0.579	65%	0.646	S	S	*	*	H	α-helix	trans	-69.4	-39.2	176.5	-146.8	71.9	4.3	0	0	112.1	K346 E348 K353 T354	K346-Q350 WeakPolarHBondContact O-CB 3.46Å; K346-Q350 PolarHBondContact O-N 3.38Å; K346-Q350 VanDerWaalsContact O-N 3.11Å; E348-Q350 VanDerWaalsContact C-N 3.33Å; Q350-K353 PolarHBondContact O-N 3.38Å; Q350-T354 PolarHBondContact O-N 3.14Å; Q350-T354 PolarHBondContact O-OG1 3.45Å
351	R	51.9	Low	47.4	Very low	178 Å²	178	133.7 Å²	133.7	67%	0.672	65%	0.645	S	S	*	*	H	α-helix	trans	-66.4	-42.4	175.8	-78	-176.9	174.5	-156.6	-3.1	113.3	N347 E348 K353 T354 E355	N347-R351 WeakPolarHBondContact O-CG 3.46Å; N347-R351 PolarHBondContact O-N 3.34Å; N347-R351 VanDerWaalsContact O-N 3.14Å; E348-R351 PolarHBondContact O-N 3.11Å; R351-K353 VanDerWaalsContact C-N 3.27Å; R351-K353 PolarHBondContact O-N 2.78Å; R351-T354 PolarHBondContact O-N 3.01Å; R351-T354 PolarHBondContact O-OG1 3.45Å; R351-E355 WeakPolarHBondContact O-CG 3.47Å; R351-E355 PolarHBondContact O-N 3.43Å; R351-E355 VanDerWaalsContact O-N 3.09Å
352	R	54.3	Low	48.2	Very low	161 Å²	161	136.2 Å²	136.2	61%	0.608	65%	0.647	S	S	*	*	H	α-helix	trans	-66.2	-28.1	177.8	-70.2	-176.4	-168.2	-139.8	3.5	113.2	E348 T356	E348-R352 WeakPolarHBondContact O-CG 3.44Å; E348-R352 PolarHBondContact O-N 3.3Å; E348-R352 VanDerWaalsContact O-N 3.09Å; E348-R352 IonicContact OE1-NE 3.99Å; E348-R352 IonicContact OE1-NH2 3.2Å; E348-R352 PolarHBondContact OE1-NH2 3.09Å; R352-T356 PolarHBondContact O-N 3.36Å; R352-T356 PolarHBondContact O-OG1 3.04Å; R352-T356 VanDerWaalsContact O-OG1 3.04Å
353	K	57.1	Low	49.1	Very low	124 Å²	124	136.7 Å²	136.7	54%	0.539	65%	0.645	S	S	.	*	H	α-helix	trans	-68.6	-41.1	173	-75.4	179.5	176	-171.8	0	112.5	I349 Q350 R351 E355 T356	I349-K353 WeakPolarHBondContact O-CG 3.46Å; I349-K353 PolarHBondContact O-N 3.48Å; Q350-K353 PolarHBondContact O-N 3.38Å; R351-K353 VanDerWaalsContact C-N 3.27Å; R351-K353 PolarHBondContact O-N 2.78Å; K353-E355 VanDerWaalsContact C-N 3.35Å; K353-T356 PolarHBondContact O-N 3.23Å; K353-T356 PolarHBondContact O-OG1 3.09Å
354	T	54	Low	49.9	Very low	78 Å²	78	138.8 Å²	138.8	48%	0.479	65%	0.651	S	S	.	*	H	α-helix	trans	-71.5	-25.9	176.5	47.8	0	0	0	0	113.8	Q350 R351 I358	Q350-T354 PolarHBondContact O-N 3.14Å; Q350-T354 PolarHBondContact O-OG1 3.45Å; R351-T354 PolarHBondContact O-N 3.01Å; R351-T354 PolarHBondContact O-OG1 3.45Å; T354-I358 WeakPolarHBondContact O-CD1 3.46Å
355	E	54.5	Low	50.4	Low	133 Å²	133	137.2 Å²	137.2	62%	0.621	64%	0.644	S	S	*	*	H	α-helix	trans	-80.7	-18.1	177.4	-72.2	169.9	173	0	0	113.2	R351 K353	R351-E355 WeakPolarHBondContact O-CG 3.47Å; R351-E355 PolarHBondContact O-N 3.43Å; R351-E355 VanDerWaalsContact O-N 3.09Å; K353-E355 VanDerWaalsContact C-N 3.35Å
356	T	55.4	Low	50.9	Low	94 Å²	94	142.4 Å²	142.4	58%	0.577	66%	0.659	S	S	*	*	H	α-helix	trans	-87.9	-19.5	174.4	39.4	0	0	0	0	114.7	R352 K353 I358	R352-T356 PolarHBondContact O-N 3.36Å; R352-T356 PolarHBondContact O-OG1 3.04Å; R352-T356 VanDerWaalsContact O-OG1 3.04Å; K353-T356 PolarHBondContact O-N 3.23Å; K353-T356 PolarHBondContact O-OG1 3.09Å; T356-I358 VanDerWaalsContact C-N 3.34Å
357	E	53.8	Low	51.6	Low	162 Å²	162	142.4 Å²	142.4	76%	0.757	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.2	-1.2	175.6	-83.7	177.7	144.8	0	0	114.2
358	I	55.3	Low	52.2	Low	148 Å²	148	144.5 Å²	144.5	76%	0.759	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.3	11.6	-179.4	-58.6	172.6	0	0	0	111	T354 T356	T354-I358 WeakPolarHBondContact O-CD1 3.46Å; T356-I358 VanDerWaalsContact C-N 3.34Å
359	R	50.3	Low	52.7	Low	227 Å²	227	147.4 Å²	147.4	86%	0.857	68%	0.678	S	S	*	*			trans	-136.6	19.9	-174.6	-141.2	177.4	-172.9	174.4	2.5	115.3
360	M	44.2	Very low	52.9	Low	242 Å²	242	151.9 Å²	151.9	100%	1.192	69%	0.694	S	S	*	*			trans	-113.2	0	156	-65.8	-168.9	-171.2	0	0	108.4

Retrieved 360 of 360 residues in 198.4 ms (Link to these results)

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