A0A5K4FG94_SCHMA Loading...

Noggin

AlphaFold DB , UniProt , Accession A0A5K4FG94, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 253 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	26.9	Very low	45.9	Very low	243 Å²	243	97 Å²	97	100%	1.197	51%	0.507	S	S	*	.				0	92.7	0	-73.9	-171.3	155.9	0	0	107.8
2	S	32.7	Very low	48.3	Very low	101 Å²	101	96.2 Å²	96.2	71%	0.706	51%	0.512	S	S	*	.			trans	-74.8	122.2	171	37.5	0	0	0	0	108.3	L4	S2-L4 PolarHBondContact O-N 2.91Å
3	Q	31.6	Very low	50.8	Low	170 Å²	170	100 Å²	100	79%	0.794	53%	0.53	S	S	*	.			trans	-64.4	124.4	-179.4	-71.2	170.3	-20.3	0	0	109.6	T5	Q3-T5 HydrophobicContact CB-CG2 4.48Å; Q3-T5 PolarHBondContact O-N 2.98Å
4	L	36.7	Very low	53.2	Low	80 Å²	80	95.9 Å²	95.9	42%	0.419	51%	0.508	S	S	.	.			trans	-77.2	54.6	-175.7	-69.4	163.6	0	0	0	112.4	S2 Y170	S2-L4 PolarHBondContact O-N 2.91Å; L4-Y170 PolarHBondContact O-OH 3.25Å
5	T	35.7	Very low	55.4	Low	60 Å²	60	95.9 Å²	95.9	37%	0.368	52%	0.516	S	S	.	.			trans	-121	61.3	-167.9	52.8	0	0	0	0	112.7	Q3 H9	Q3-T5 HydrophobicContact CB-CG2 4.48Å; Q3-T5 PolarHBondContact O-N 2.98Å; T5-H9 PolarHBondContact O-CD2 3.18Å
6	I	47.3	Very low	57.5	Low	69 Å²	69	96.8 Å²	96.8	35%	0.354	52%	0.52	S	S	.	.	S	Bend	trans	-90	-33	176.3	-60.9	176.8	0	0	0	112.3	Q185	I6-Q185 HydrophobicContact CD1-CG 4.07Å
7	I	52	Low	59.6	Low	15 Å²	15	93.2 Å²	93.2	8%	0.077	50%	0.499	C	S	.	.	H	α-helix	trans	-65.4	-43.6	-179.3	-59.8	-157.4	0	0	0	114.4	H9 Q10 I11 Y170 L172 T183	I7-H9 PolarHBondContact O-N 2.99Å; I7-Q10 PolarHBondContact O-N 3.24Å; I7-I11 HydrophobicContact CG2-CD1 4.38Å; I7-Y170 HydrophobicContact CD1-CD1 4.33Å; I7-Y170 HydrophobicContact CD1-CD2 3.07Å; I7-Y170 HydrophobicContact CD1-CE2 3.57Å; I7-Y170 HydrophobicContact CD1-CG 3.47Å; I7-Y170 VanDerWaalsContact CD1-CG 3.47Å; I7-Y170 HydrophobicContact CG1-CD2 3.76Å; I7-Y170 HydrophobicContact CG1-CE2 3.72Å; I7-Y170 HydrophobicContact CG1-CG 4.19Å; I7-L172 HydrophobicContact CG2-CD2 3.7Å; I7-T183 HydrophobicContact CD1-CG2 3.7Å; I7-T183 HydrophobicContact CG1-CG2 3.95Å
8	P	49.2	Very low	61.4	Low	70 Å²	70	91.4 Å²	91.4	46%	0.455	49%	0.485	S	S	.	.	H	α-helix	trans	-60.5	-24.2	-173.6	-21.5	31.9	0	0	0	113.6
9	H	52.7	Low	63	Low	151 Å²	151	91.6 Å²	91.6	70%	0.699	49%	0.492	S	S	*	.	H	α-helix	trans	-88.7	-15.9	-173.6	-62.7	-50.2	0	0	0	114.6	T5 I7	T5-H9 PolarHBondContact O-CD2 3.18Å; I7-H9 PolarHBondContact O-N 2.99Å
10	Q	64.3	Low	64.5	Low	93 Å²	93	88.9 Å²	88.9	44%	0.435	48%	0.475	S	S	.	.	H	α-helix	trans	-89.9	-23.2	-178.1	-68.3	-179.7	-15.7	0	0	112.9	I7	I7-Q10 PolarHBondContact O-N 3.24Å
11	I	76	Confident	65.8	Low	15 Å²	15	92.3 Å²	92.3	8%	0.077	48%	0.481	C	S	.	.	S	Bend	trans	-96.6	118.7	-179.5	-58.9	177	0	0	0	108.5	I7 I13 L172 F176 L233	I7-I11 HydrophobicContact CG2-CD1 4.38Å; I11-I13 PolarHBondContact O-N 3.36Å; I11-I13 VanDerWaalsContact O-N 3.09Å; I11-L172 HydrophobicContact CD1-CD1 4.37Å; I11-L172 HydrophobicContact CD1-CD2 4.28Å; I11-F176 HydrophobicContact CD1-CE1 3.88Å; I11-F176 HydrophobicContact CD1-CZ 4.16Å; I11-F176 HydrophobicContact CG2-CE1 3.86Å; I11-F176 HydrophobicContact CG2-CZ 3.77Å; I11-L233 HydrophobicContact CD1-CD1 4.3Å; I11-L233 HydrophobicContact CD1-CD2 3.83Å; I11-L233 HydrophobicContact CG1-CD2 3.54Å
12	P	74.3	Confident	68.9	Low	87 Å²	87	87 Å²	87	57%	0.565	46%	0.458	S	S	*	.	P	Polyproline II helix	trans	-61.2	118	-176.5	21.8	-31.6	0	0	0	110.6	I14 R214	P12-I14 PolarHBondContact O-N 2.9Å; P12-R214 VanDerWaalsContact O-CZ 3.23Å; P12-R214 PolarHBondContact O-NH1 3.4Å; P12-R214 PolarHBondContact O-NH2 3.07Å
13	I	81.3	Confident	71.6	Confident	146 Å²	146	89.2 Å²	89.2	75%	0.749	46%	0.457	S	S	*	.	P	Polyproline II helix	trans	-69.9	122.8	174.2	-59.3	166.4	0	0	0	107.1	I11	I11-I13 PolarHBondContact O-N 3.36Å; I11-I13 VanDerWaalsContact O-N 3.09Å
14	I	84.5	Confident	74.5	Confident	43 Å²	43	82.5 Å²	82.5	22%	0.221	43%	0.427	C	S	.	.	P	Polyproline II helix	trans	-95.4	120.3	174.7	-55.5	165.1	0	0	0	106.5	P12 E17 I216 P218	P12-I14 PolarHBondContact O-N 2.9Å; I14-E17 HydrophobicContact CB-CG 3.81Å; I14-E17 WeakPolarHBondContact CB-OE1 3.49Å; I14-E17 HydrophobicContact CG2-CG 3.98Å; I14-E17 WeakPolarHBondContact O-CG 3.48Å; I14-I216 HydrophobicContact CD1-CB 4.27Å; I14-I216 HydrophobicContact CD1-CD1 3.92Å; I14-I216 HydrophobicContact CD1-CG1 3.92Å; I14-I216 HydrophobicContact CD1-CG2 3.42Å; I14-I216 VanDerWaalsContact CD1-CG2 3.42Å; I14-P218 HydrophobicContact CG2-CB 4.32Å; I14-P218 HydrophobicContact CG2-CG 3.92Å
15	P	85.4	Confident	77.1	Confident	96 Å²	96	82.6 Å²	82.6	62%	0.623	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	150.6	179.4	28.6	-34.1	0	0	0	110.6	E17	P15-E17 VanDerWaalsContact C-N 3.33Å; P15-E17 PolarHBondContact O-N 2.9Å
16	N	90.4	Very high	79.8	Confident	110 Å²	110	83.1 Å²	83.1	59%	0.588	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.5	47.8	174.2	-51.4	-22.8	0	0	0	112.8	E219	N16-E219 WeakPolarHBondContact O-CG 3.49Å; N16-E219 PolarHBondContact O-N 3.4Å
17	E	91.6	Very high	82	Confident	35 Å²	35	83.7 Å²	83.7	16%	0.164	43%	0.432	C	S	.	.	B	Isolated β-bridge	trans	-78.2	137.2	169.2	-74.2	-175.2	-136.3	0	0	110.8	I14 P15 K175 R214	I14-E17 HydrophobicContact CB-CG 3.81Å; I14-E17 WeakPolarHBondContact CB-OE1 3.49Å; I14-E17 HydrophobicContact CG2-CG 3.98Å; I14-E17 WeakPolarHBondContact O-CG 3.48Å; P15-E17 VanDerWaalsContact C-N 3.33Å; P15-E17 PolarHBondContact O-N 2.9Å; E17-K175 VanDerWaalsContact CB-NZ 3.3Å; E17-K175 IonicContact OE2-NZ 2.76Å; E17-K175 PolarHBondContact OE2-NZ 3.43Å; E17-R214 IonicContact OE1-CZ 2.89Å; E17-R214 IonicContact OE1-NH2 3.96Å; E17-R214 PolarHBondContact OE1-NH2 3.42Å
18	R	92.9	Very high	83.9	Confident	62 Å²	62	88.8 Å²	88.8	23%	0.234	45%	0.451	C	S	.	.	P	Polyproline II helix	trans	-56.9	152.2	170.9	-65.8	-171.5	-175.3	96.2	-2.2	110.9	K175 C217 P218 E219 W221	R18-K175 PolarHBondContact O-NZ 2.95Å; R18-C217 HydrophobicContact CB-CB 4.5Å; R18-C217 WeakPolarHBondContact CB-O 3.44Å; R18-C217 PolarHBondContact N-O 2.89Å; R18-C217 PolarHBondContact NH1-SG 3.05Å; R18-P218 PolarHBondContact NH1-O 3.18Å; R18-E219 HydrophobicContact CG-CG 3.75Å; R18-E219 PolarHBondContact NH2-O 3.02Å; R18-W221 PolarHBondContact NH1-O 3.09Å; R18-W221 PolarHBondContact NH2-O 3.07Å
19	P	92	Very high	86.1	Confident	95 Å²	95	91.1 Å²	91.1	62%	0.617	46%	0.459	S	S	*	.	P	Polyproline II helix	trans	-61.2	141	174.5	25.6	-34.1	0	0	0	110.5
20	F	92.4	Very high	88.1	Confident	36 Å²	36	88.3 Å²	88.3	16%	0.158	45%	0.446	C	S	.	.	P	Polyproline II helix	trans	-67.4	138.1	173.9	-176.1	-95.9	0	0	0	109.8	L25 P174 K175 Y215 W228	F20-L25 HydrophobicContact CZ-CB 4.41Å; F20-P174 HydrophobicContact CD1-CB 3.69Å; F20-P174 HydrophobicContact CD1-CG 4.14Å; F20-P174 HydrophobicContact CE1-CB 3.86Å; F20-P174 WeakPolarHBondContact CE2-O 3.27Å; F20-P174 HydrophobicContact CG-CB 4.31Å; F20-P174 HydrophobicContact CG-CG 4.46Å; F20-P174 WeakPolarHBondContact CZ-O 3.29Å; F20-K175 HydrophobicContact CB-CG 3.82Å; F20-K175 HydrophobicContact CD2-CG 3.91Å; F20-K175 HydrophobicContact CG-CG 4.13Å; F20-Y215 AromaticContact CD2-CD1 3.87Å; F20-Y215 HydrophobicContact CD2-CD1 3.87Å; F20-Y215 HydrophobicContact CD2-CG 4.3Å; F20-Y215 HydrophobicContact CE2-CD1 4.18Å; F20-Y215 HydrophobicContact CE2-CG 4.19Å; F20-W228 AromaticContact CE2-CH2 3.91Å; F20-W228 HydrophobicContact CE2-CH2 3.91Å; F20-W228 AromaticContact CE2-CZ2 3.73Å; F20-W228 HydrophobicContact CE2-CZ2 3.73Å; F20-W228 HydrophobicContact CZ-CH2 4.23Å; F20-W228 AromaticContact CZ-CZ2 3.97Å; F20-W228 HydrophobicContact CZ-CZ2 3.97Å
21	R	92.1	Very high	89.6	Confident	161 Å²	161	83.9 Å²	83.9	61%	0.608	43%	0.426	S	S	*	.			trans	-123.8	134.8	178.8	-60.6	-174.4	178.6	-166.6	-2.3	109.5	H23 V24	R21-H23 VanDerWaalsContact C-N 3.28Å; R21-H23 VanDerWaalsContact CB-CE1 3.46Å; R21-H23 WeakPolarHBondContact CB-CE1 3.25Å; R21-H23 VanDerWaalsContact CD-CE1 3.41Å; R21-H23 WeakPolarHBondContact CD-CE1 3.46Å; R21-H23 PolarHBondContact O-N 3.16Å; R21-V24 HydrophobicContact CB-CG2 4.5Å; R21-V24 WeakPolarHBondContact O-CB 3.47Å; R21-V24 PolarHBondContact O-N 3.12Å; R21-V24 VanDerWaalsContact O-N 3.15Å
22	D	91.3	Very high	90.5	Very high	131 Å²	131	84.6 Å²	84.6	70%	0.701	43%	0.429	S	S	*	.	G	3₁₀ helix	trans	-64.2	-27.6	-170.5	-65	-27.6	0	0	0	114.3	V24 L25	D22-V24 PolarHBondContact O-N 3.2Å; D22-V24 VanDerWaalsContact O-N 3.12Å; D22-L25 VanDerWaalsContact O-CB 3.25Å; D22-L25 WeakPolarHBondContact O-CB 3.34Å; D22-L25 PolarHBondContact O-N 3.15Å
23	H	91.1	Very high	91.5	Very high	149 Å²	149	87.8 Å²	87.8	69%	0.69	44%	0.436	S	S	*	.	G	3₁₀ helix	trans	-66.1	-13.3	178.5	67.1	-98.5	0	0	0	114.2	R21 L25	R21-H23 VanDerWaalsContact C-N 3.28Å; R21-H23 VanDerWaalsContact CB-CE1 3.46Å; R21-H23 WeakPolarHBondContact CB-CE1 3.25Å; R21-H23 VanDerWaalsContact CD-CE1 3.41Å; R21-H23 WeakPolarHBondContact CD-CE1 3.46Å; R21-H23 PolarHBondContact O-N 3.16Å; H23-L25 VanDerWaalsContact C-N 3.33Å
24	V	91.2	Very high	92.2	Very high	29 Å²	29	83.1 Å²	83.1	18%	0.176	41%	0.413	C	S	.	.	G	3₁₀ helix	trans	-83.2	-17	175.9	178.4	0	0	0	0	111.5	R21 D22 L26 Y215 W228	R21-V24 HydrophobicContact CB-CG2 4.5Å; R21-V24 WeakPolarHBondContact O-CB 3.47Å; R21-V24 PolarHBondContact O-N 3.12Å; R21-V24 VanDerWaalsContact O-N 3.15Å; D22-V24 PolarHBondContact O-N 3.2Å; D22-V24 VanDerWaalsContact O-N 3.12Å; V24-L26 PolarHBondContact O-N 3.1Å; V24-Y215 HydrophobicContact CB-CE2 4.49Å; V24-Y215 HydrophobicContact CG1-CD1 4.41Å; V24-Y215 HydrophobicContact CG1-CD2 3.58Å; V24-Y215 HydrophobicContact CG1-CE1 4Å; V24-Y215 HydrophobicContact CG1-CE2 3.12Å; V24-Y215 HydrophobicContact CG1-CG 4.2Å; V24-W228 PolarHBondContact O-NE1 3.2Å; V24-W228 VanDerWaalsContact O-NE1 3.1Å
25	L	92.1	Very high	92.8	Very high	81 Å²	81	81 Å²	81	42%	0.424	40%	0.402	S	S	.	.			trans	-71	114	175.9	-171.7	65.9	0	0	0	108.9	F20 D22 H23 M31 W228	F20-L25 HydrophobicContact CZ-CB 4.41Å; D22-L25 VanDerWaalsContact O-CB 3.25Å; D22-L25 WeakPolarHBondContact O-CB 3.34Å; D22-L25 PolarHBondContact O-N 3.15Å; H23-L25 VanDerWaalsContact C-N 3.33Å; L25-M31 HydrophobicContact CD1-CE 4.29Å; L25-W228 HydrophobicContact CD1-CH2 4.34Å; L25-W228 HydrophobicContact CD1-CZ2 3.9Å
26	L	92.7	Very high	93.2	Very high	71 Å²	71	77 Å²	77	37%	0.372	38%	0.378	S	S	.	.			trans	-69.3	165.9	175.2	-52.5	176.2	0	0	0	110.3	V24 E30 M31 L34	V24-L26 PolarHBondContact O-N 3.1Å; L26-E30 HydrophobicContact CB-CB 3.74Å; L26-E30 WeakPolarHBondContact CB-OE2 3.38Å; L26-E30 HydrophobicContact CD1-CB 4.19Å; L26-M31 HydrophobicContact CB-CG 3.86Å; L26-M31 HydrophobicContact CB-SD 3.66Å; L26-M31 HydrophobicContact CD1-SD 4.05Å; L26-M31 HydrophobicContact CG-SD 3.98Å; L26-L34 HydrophobicContact CD1-CD2 4.32Å
27	N	93.6	Very high	93.2	Very high	81 Å²	81	74 Å²	74	43%	0.433	37%	0.374	S	S	.	.			trans	-67	163.9	175.3	77.3	53.2	0	0	0	111.1	N29 E30 M31	N27-N29 VanDerWaalsContact C-N 3.3Å; N27-N29 PolarHBondContact O-N 2.96Å; N27-N29 WeakPolarHBondContact OD1-CB 3.37Å; N27-N29 PolarHBondContact OD1-N 3.12Å; N27-E30 VanDerWaalsContact CG-CD 3.48Å; N27-E30 PolarHBondContact N-OE2 3.42Å; N27-E30 WeakPolarHBondContact ND2-CG 3.36Å; N27-E30 PolarHBondContact ND2-OE1 2.93Å; N27-E30 PolarHBondContact ND2-OE2 2.97Å; N27-E30 PolarHBondContact O-N 3.34Å; N27-E30 WeakPolarHBondContact OD1-CG 3.49Å; N27-E30 PolarHBondContact OD1-N 2.82Å; N27-M31 WeakPolarHBondContact O-CG 3.49Å; N27-M31 PolarHBondContact O-N 3.5Å
28	Y	91.5	Very high	93.2	Very high	123 Å²	123	80 Å²	80	48%	0.482	40%	0.401	S	S	.	.	H	α-helix	trans	-52.9	-45.6	-176.3	174	-92.3	0	0	0	113.5	M31 I32 F47 W177	Y28-M31 PolarHBondContact O-N 3.3Å; Y28-I32 HydrophobicContact CD1-CG1 4.25Å; Y28-I32 HydrophobicContact CE1-CG1 3.74Å; Y28-I32 HydrophobicContact CE2-CD1 4.37Å; Y28-I32 HydrophobicContact CE2-CG1 4.13Å; Y28-I32 WeakPolarHBondContact O-CG1 3.41Å; Y28-I32 PolarHBondContact O-N 3.24Å; Y28-F47 HydrophobicContact CD2-CE1 4.46Å; Y28-F47 HydrophobicContact CD2-CZ 4.34Å; Y28-F47 HydrophobicContact CE2-CD1 4.41Å; Y28-F47 HydrophobicContact CE2-CD2 4.03Å; Y28-F47 AromaticContact CE2-CE1 3.91Å; Y28-F47 HydrophobicContact CE2-CE1 3.91Å; Y28-F47 AromaticContact CE2-CE2 3.46Å; Y28-F47 HydrophobicContact CE2-CE2 3.46Å; Y28-F47 VanDerWaalsContact CE2-CE2 3.46Å; Y28-F47 HydrophobicContact CE2-CG 4.47Å; Y28-F47 AromaticContact CE2-CZ 3.39Å; Y28-F47 HydrophobicContact CE2-CZ 3.39Å; Y28-W177 HydrophobicContact CD2-CZ2 4.35Å
29	N	94.4	Very high	93.3	Very high	118 Å²	118	79.2 Å²	79.2	63%	0.631	40%	0.401	S	S	*	.	H	α-helix	trans	-68	-40.7	-177	-67.1	-27.5	0	0	0	111.1	N27 I32 H33	N27-N29 VanDerWaalsContact C-N 3.3Å; N27-N29 PolarHBondContact O-N 2.96Å; N27-N29 WeakPolarHBondContact OD1-CB 3.37Å; N27-N29 PolarHBondContact OD1-N 3.12Å; N29-I32 PolarHBondContact O-N 3.03Å; N29-H33 WeakPolarHBondContact O-CB 3.42Å; N29-H33 PolarHBondContact O-N 3.5Å
30	E	95.3	Very high	93.4	Very high	92 Å²	92	76.2 Å²	76.2	43%	0.43	38%	0.379	S	S	.	.	H	α-helix	trans	-63.7	-43.2	176.2	-71	168.9	155.8	0	0	111.6	L26 N27 H33 L34	L26-E30 HydrophobicContact CB-CB 3.74Å; L26-E30 WeakPolarHBondContact CB-OE2 3.38Å; L26-E30 HydrophobicContact CD1-CB 4.19Å; N27-E30 VanDerWaalsContact CG-CD 3.48Å; N27-E30 PolarHBondContact N-OE2 3.42Å; N27-E30 WeakPolarHBondContact ND2-CG 3.36Å; N27-E30 PolarHBondContact ND2-OE1 2.93Å; N27-E30 PolarHBondContact ND2-OE2 2.97Å; N27-E30 PolarHBondContact O-N 3.34Å; N27-E30 WeakPolarHBondContact OD1-CG 3.49Å; N27-E30 PolarHBondContact OD1-N 2.82Å; E30-H33 PolarHBondContact O-N 3.14Å; E30-L34 VanDerWaalsContact O-CB 3.32Å; E30-L34 WeakPolarHBondContact O-CB 3.41Å; E30-L34 PolarHBondContact O-N 3.27Å
31	M	95.7	Very high	93.3	Very high	0 Å²	0	77.3 Å²	77.3	0%	0	39%	0.386	C	S	.	.	H	α-helix	trans	-65.5	-42	176.9	-68.3	-60.5	-73.8	0	0	112	L25 L26 N27 Y28 H33 L34 L35 W177 L213 W228	L25-M31 HydrophobicContact CD1-CE 4.29Å; L26-M31 HydrophobicContact CB-CG 3.86Å; L26-M31 HydrophobicContact CB-SD 3.66Å; L26-M31 HydrophobicContact CD1-SD 4.05Å; L26-M31 HydrophobicContact CG-SD 3.98Å; N27-M31 WeakPolarHBondContact O-CG 3.49Å; N27-M31 PolarHBondContact O-N 3.5Å; Y28-M31 PolarHBondContact O-N 3.3Å; M31-H33 VanDerWaalsContact C-N 3.34Å; M31-H33 PolarHBondContact O-N 2.96Å; M31-L34 PolarHBondContact O-N 3.13Å; M31-L35 WeakPolarHBondContact O-CB 3.32Å; M31-L35 PolarHBondContact O-N 3.37Å; M31-W177 HydrophobicContact CB-CD2 3.74Å; M31-W177 HydrophobicContact CB-CE3 3.91Å; M31-W177 HydrophobicContact CB-CH2 3.4Å; M31-W177 VanDerWaalsContact CB-CH2 3.4Å; M31-W177 HydrophobicContact CB-CZ2 3.22Å; M31-W177 HydrophobicContact CB-CZ3 3.75Å; M31-W177 HydrophobicContact CE-CB 3.29Å; M31-W177 HydrophobicContact CE-CD2 3.56Å; M31-W177 HydrophobicContact CE-CE3 4.08Å; M31-W177 HydrophobicContact CE-CG 3.2Å; M31-W177 HydrophobicContact CG-CD2 4.22Å; M31-W177 HydrophobicContact CG-CZ2 4.14Å; M31-W177 WeakPolarHBondContact O-CZ3 3.18Å; M31-L213 HydrophobicContact CE-CD1 3.67Å; M31-L213 HydrophobicContact SD-CD1 4.4Å; M31-W228 HydrophobicContact CE-CD2 3.84Å; M31-W228 HydrophobicContact CE-CE3 3.98Å; M31-W228 HydrophobicContact CE-CG 4.45Å; M31-W228 HydrophobicContact CE-CH2 4.05Å; M31-W228 HydrophobicContact CE-CZ2 3.91Å; M31-W228 HydrophobicContact CE-CZ3 4.08Å; M31-W228 HydrophobicContact SD-CD2 4.47Å
32	I	94.7	Very high	93.3	Very high	30 Å²	30	75.5 Å²	75.5	15%	0.154	39%	0.388	C	S	.	.	H	α-helix	trans	-60.2	-45.4	173.1	-72.9	-67.7	0	0	0	110.7	Y28 N29 L34 L35 G36 G37 F40 F47 W177	Y28-I32 HydrophobicContact CD1-CG1 4.25Å; Y28-I32 HydrophobicContact CE1-CG1 3.74Å; Y28-I32 HydrophobicContact CE2-CD1 4.37Å; Y28-I32 HydrophobicContact CE2-CG1 4.13Å; Y28-I32 WeakPolarHBondContact O-CG1 3.41Å; Y28-I32 PolarHBondContact O-N 3.24Å; N29-I32 PolarHBondContact O-N 3.03Å; I32-L34 VanDerWaalsContact C-N 3.34Å; I32-L34 PolarHBondContact O-N 3.47Å; I32-L35 PolarHBondContact O-N 2.86Å; I32-G36 CarbonylContact O-C 3.45Å; I32-G36 WeakPolarHBondContact O-CA 3.45Å; I32-G36 PolarHBondContact O-N 3.49Å; I32-G37 PolarHBondContact O-N 2.89Å; I32-F40 HydrophobicContact CD1-CB 4.18Å; I32-F40 HydrophobicContact CD1-CD1 4.22Å; I32-F40 HydrophobicContact CD1-CD2 4.38Å; I32-F40 HydrophobicContact CD1-CG 3.99Å; I32-F47 HydrophobicContact CD1-CE1 4.46Å; I32-F47 HydrophobicContact CD1-CZ 3.95Å; I32-W177 HydrophobicContact CB-CH2 4.39Å; I32-W177 HydrophobicContact CD1-CH2 3.6Å; I32-W177 HydrophobicContact CD1-CZ3 4.26Å; I32-W177 HydrophobicContact CG1-CH2 3.74Å
33	H	95.9	Very high	93.2	Very high	154 Å²	154	74.3 Å²	74.3	71%	0.713	38%	0.379	S	S	*	.	H	α-helix	trans	-62.5	-43.3	178.7	-178.4	-89.5	0	0	0	111.2	N29 E30 M31 G36	N29-H33 WeakPolarHBondContact O-CB 3.42Å; N29-H33 PolarHBondContact O-N 3.5Å; E30-H33 PolarHBondContact O-N 3.14Å; M31-H33 VanDerWaalsContact C-N 3.34Å; M31-H33 PolarHBondContact O-N 2.96Å; H33-G36 PolarHBondContact O-N 3Å; H33-G36 VanDerWaalsContact O-N 3.14Å
34	L	96.4	Very high	93.3	Very high	48 Å²	48	67.4 Å²	67.4	25%	0.251	35%	0.347	S	S	.	.	H	α-helix	trans	-64.9	-40	177.7	-175.6	62.3	0	0	0	112.2	L26 E30 M31 I32 G36 L213 W228 R230	L26-L34 HydrophobicContact CD1-CD2 4.32Å; E30-L34 VanDerWaalsContact O-CB 3.32Å; E30-L34 WeakPolarHBondContact O-CB 3.41Å; E30-L34 PolarHBondContact O-N 3.27Å; M31-L34 PolarHBondContact O-N 3.13Å; I32-L34 VanDerWaalsContact C-N 3.34Å; I32-L34 PolarHBondContact O-N 3.47Å; L34-G36 VanDerWaalsContact C-N 3.29Å; L34-L213 HydrophobicContact CB-CD1 4.12Å; L34-L213 HydrophobicContact CD2-CD1 3.98Å; L34-L213 HydrophobicContact CD2-CD2 4.24Å; L34-L213 HydrophobicContact CG-CD1 4.05Å; L34-L213 HydrophobicContact CG-CD2 3.97Å; L34-W228 HydrophobicContact CD2-CB 3.4Å; L34-W228 HydrophobicContact CD2-CG 4.09Å; L34-R230 PolarHBondContact O-NE 3.17Å; L34-R230 PolarHBondContact O-NH2 3.27Å
35	L	96	Very high	93.5	Very high	0 Å²	0	66.1 Å²	66.1	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-67	-33.2	173.1	179.4	60.4	0	0	0	111.8	M31 I32 N39 F40 W177 A211 L213	M31-L35 WeakPolarHBondContact O-CB 3.32Å; M31-L35 PolarHBondContact O-N 3.37Å; I32-L35 PolarHBondContact O-N 2.86Å; L35-N39 HydrophobicContact CD1-CB 4.21Å; L35-N39 HydrophobicContact CG-CB 4.04Å; L35-N39 PolarHBondContact O-ND2 2.91Å; L35-F40 HydrophobicContact CD2-CB 4.04Å; L35-F40 HydrophobicContact CD2-CD2 4.11Å; L35-W177 HydrophobicContact CB-CZ3 4.07Å; L35-W177 HydrophobicContact CD2-CE3 4.35Å; L35-W177 HydrophobicContact CD2-CZ3 3.83Å; L35-A211 HydrophobicContact CD1-CB 4.17Å; L35-A211 WeakPolarHBondContact CD1-O 3.22Å; L35-L213 HydrophobicContact CB-CD1 4.05Å; L35-L213 HydrophobicContact CB-CG 4.16Å; L35-L213 HydrophobicContact CD1-CG 4.2Å
36	G	94	Very high	93.5	Very high	11 Å²	11	63.7 Å²	63.7	11%	0.113	33%	0.329	C	S	.	.			trans	88	115	-167	0	0	0	0	0	109.5	I32 H33 L34 H38 N39	I32-G36 CarbonylContact O-C 3.45Å; I32-G36 WeakPolarHBondContact O-CA 3.45Å; I32-G36 PolarHBondContact O-N 3.49Å; H33-G36 PolarHBondContact O-N 3Å; H33-G36 VanDerWaalsContact O-N 3.14Å; L34-G36 VanDerWaalsContact C-N 3.29Å; G36-H38 PolarHBondContact O-N 2.03Å; G36-N39 WeakPolarHBondContact O-CB 3.26Å; G36-N39 PolarHBondContact O-N 3.48Å
37	G	90.3	Very high	93.4	Very high	48 Å²	48	62.6 Å²	62.6	50%	0.495	32%	0.321	S	S	.	.	G	3₁₀ helix	trans	-55.7	-28.5	-169.9	0	0	0	0	0	115.5	I32 N39 F40	I32-G37 PolarHBondContact O-N 2.89Å; G37-N39 VanDerWaalsContact C-N 3.31Å; G37-N39 PolarHBondContact O-N 2.81Å; G37-F40 PolarHBondContact O-N 2.78Å
38	H	92	Very high	93.2	Very high	161 Å²	161	65.7 Å²	65.7	75%	0.745	33%	0.332	S	S	*	.	G	3₁₀ helix	trans	-72	-22.3	175.8	60.8	-90.7	0	0	0	113.8	G36 F40	G36-H38 PolarHBondContact O-N 2.03Å; H38-F40 VanDerWaalsContact C-N 3.31Å
39	N	94	Very high	93.3	Very high	44 Å²	44	64.8 Å²	64.8	24%	0.235	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	-79.7	-16.7	179.1	-68.5	-40.7	0	0	0	112.4	L35 G36 G37 N41 M45 A211	L35-N39 HydrophobicContact CD1-CB 4.21Å; L35-N39 HydrophobicContact CG-CB 4.04Å; L35-N39 PolarHBondContact O-ND2 2.91Å; G36-N39 WeakPolarHBondContact O-CB 3.26Å; G36-N39 PolarHBondContact O-N 3.48Å; G37-N39 VanDerWaalsContact C-N 3.31Å; G37-N39 PolarHBondContact O-N 2.81Å; N39-N41 PolarHBondContact O-N 2.85Å; N39-M45 WeakPolarHBondContact O-CE 3.21Å; N39-A211 HydrophobicContact CB-CB 4.12Å
40	F	94.3	Very high	93.2	Very high	33 Å²	33	60 Å²	60	15%	0.145	31%	0.307	C	S	.	.			trans	-79.7	103.7	179.2	-173.3	-108.6	0	0	0	110.9	I32 L35 G37 H38 N42 M45 F47 P178	I32-F40 HydrophobicContact CD1-CB 4.18Å; I32-F40 HydrophobicContact CD1-CD1 4.22Å; I32-F40 HydrophobicContact CD1-CD2 4.38Å; I32-F40 HydrophobicContact CD1-CG 3.99Å; L35-F40 HydrophobicContact CD2-CB 4.04Å; L35-F40 HydrophobicContact CD2-CD2 4.11Å; G37-F40 PolarHBondContact O-N 2.78Å; H38-F40 VanDerWaalsContact C-N 3.31Å; F40-N42 WeakPolarHBondContact CD1-OD1 3.45Å; F40-N42 WeakPolarHBondContact CE1-OD1 3.04Å; F40-N42 WeakPolarHBondContact CZ-OD1 3.47Å; F40-M45 HydrophobicContact CD2-CB 4.25Å; F40-M45 HydrophobicContact CD2-SD 3.98Å; F40-M45 HydrophobicContact CE2-CB 3.84Å; F40-M45 HydrophobicContact CE2-SD 4.47Å; F40-F47 HydrophobicContact CD1-CZ 4.14Å; F40-F47 HydrophobicContact CD2-CE1 4.18Å; F40-F47 AromaticContact CD2-CZ 3.8Å; F40-F47 HydrophobicContact CD2-CZ 3.8Å; F40-F47 AromaticContact CE1-CE2 3.51Å; F40-F47 HydrophobicContact CE1-CE2 3.51Å; F40-F47 AromaticContact CE1-CZ 3.46Å; F40-F47 HydrophobicContact CE1-CZ 3.46Å; F40-F47 VanDerWaalsContact CE1-CZ 3.46Å; F40-F47 HydrophobicContact CE2-CD1 4.41Å; F40-F47 AromaticContact CE2-CE1 3.53Å; F40-F47 HydrophobicContact CE2-CE1 3.53Å; F40-F47 AromaticContact CE2-CE2 3.73Å; F40-F47 HydrophobicContact CE2-CE2 3.73Å; F40-F47 AromaticContact CE2-CZ 3.13Å; F40-F47 HydrophobicContact CE2-CZ 3.13Å; F40-F47 HydrophobicContact CG-CZ 4.29Å; F40-F47 AromaticContact CZ-CD2 3.98Å; F40-F47 HydrophobicContact CZ-CD2 3.98Å; F40-F47 AromaticContact CZ-CE1 3.82Å; F40-F47 HydrophobicContact CZ-CE1 3.82Å; F40-F47 AromaticContact CZ-CE2 3.07Å; F40-F47 HydrophobicContact CZ-CE2 3.07Å; F40-F47 AromaticContact CZ-CZ 2.97Å; F40-F47 HydrophobicContact CZ-CZ 2.97Å; F40-P178 HydrophobicContact CD2-CG 3.65Å; F40-P178 HydrophobicContact CE2-CB 4.16Å; F40-P178 HydrophobicContact CE2-CG 3.41Å; F40-P178 VanDerWaalsContact CE2-CG 3.41Å
41	N	91.3	Very high	92.8	Very high	59 Å²	59	62.2 Å²	62.2	32%	0.316	31%	0.311	S	S	.	.			trans	-107.1	111.8	178.6	-174.1	-16.1	0	0	0	111.4	N39 E43 F44 M45	N39-N41 PolarHBondContact O-N 2.85Å; N41-E43 PolarHBondContact O-N 3.28Å; N41-E43 VanDerWaalsContact O-N 3.14Å; N41-E43 VanDerWaalsContact OD1-CB 3.24Å; N41-E43 WeakPolarHBondContact OD1-CB 3.33Å; N41-E43 PolarHBondContact OD1-N 3.35Å; N41-F44 HydrophobicContact CB-CD2 4.48Å; N41-F44 WeakPolarHBondContact ND2-CD2 3.4Å; N41-F44 PolarHBondContact O-N 2.97Å; N41-F44 VanDerWaalsContact O-N 3.13Å; N41-M45 VanDerWaalsContact O-CB 3.29Å; N41-M45 WeakPolarHBondContact O-CB 3Å; N41-M45 WeakPolarHBondContact O-CG 3.43Å; N41-M45 PolarHBondContact O-N 3.01Å
42	N	91.2	Very high	92.3	Very high	122 Å²	122	64.9 Å²	64.9	65%	0.652	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-18.3	179.9	-68.6	-5.5	0	0	0	114.7	F40	F40-N42 WeakPolarHBondContact CD1-OD1 3.45Å; F40-N42 WeakPolarHBondContact CE1-OD1 3.04Å; F40-N42 WeakPolarHBondContact CZ-OD1 3.47Å
43	E	89.9	Confident	91.9	Very high	107 Å²	107	63.6 Å²	63.6	50%	0.5	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-37.5	176.1	-175.2	172.1	-175.8	0	0	111.6	N41 K182	N41-E43 PolarHBondContact O-N 3.28Å; N41-E43 VanDerWaalsContact O-N 3.14Å; N41-E43 VanDerWaalsContact OD1-CB 3.24Å; N41-E43 WeakPolarHBondContact OD1-CB 3.33Å; N41-E43 PolarHBondContact OD1-N 3.35Å; E43-K182 WeakPolarHBondContact O-CD 2.97Å
44	F	92.8	Very high	91.5	Very high	4 Å²	4	58.6 Å²	58.6	2%	0.018	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.7	-10.4	-173.9	-57.6	-64.1	0	0	0	114.3	N41 Y167 I181 K182 I235 T237	N41-F44 HydrophobicContact CB-CD2 4.48Å; N41-F44 WeakPolarHBondContact ND2-CD2 3.4Å; N41-F44 PolarHBondContact O-N 2.97Å; N41-F44 VanDerWaalsContact O-N 3.13Å; F44-Y167 HydrophobicContact CD1-CE1 4.39Å; F44-Y167 AromaticContact CE1-CE1 3.78Å; F44-Y167 HydrophobicContact CE1-CE1 3.78Å; F44-I181 CarbonylContact O-C 3.59Å; F44-I181 WeakPolarHBondContact O-CA 3.5Å; F44-K182 HydrophobicContact CD1-CB 4.38Å; F44-K182 PolarHBondContact O-N 3.3Å; F44-I235 HydrophobicContact CB-CD1 3.73Å; F44-I235 HydrophobicContact CD1-CD1 4.18Å; F44-I235 HydrophobicContact CD1-CG2 3.92Å; F44-I235 HydrophobicContact CE1-CG2 4Å; F44-I235 HydrophobicContact CG-CD1 4.01Å; F44-T237 HydrophobicContact CE1-CG2 4.41Å; F44-T237 HydrophobicContact CZ-CG2 3.87Å
45	M	94.5	Very high	90.9	Very high	2 Å²	2	59 Å²	59	1%	0.01	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	142.1	-173.7	-51.8	177.4	-175.2	0	0	111.6	N39 F40 N41 P178 W180 I181 I210 A211 I212	N39-M45 WeakPolarHBondContact O-CE 3.21Å; F40-M45 HydrophobicContact CD2-CB 4.25Å; F40-M45 HydrophobicContact CD2-SD 3.98Å; F40-M45 HydrophobicContact CE2-CB 3.84Å; F40-M45 HydrophobicContact CE2-SD 4.47Å; N41-M45 VanDerWaalsContact O-CB 3.29Å; N41-M45 WeakPolarHBondContact O-CB 3Å; N41-M45 WeakPolarHBondContact O-CG 3.43Å; N41-M45 PolarHBondContact O-N 3.01Å; M45-P178 HydrophobicContact CB-CB 4.32Å; M45-P178 HydrophobicContact CB-CG 4.03Å; M45-P178 HydrophobicContact SD-CG 4.21Å; M45-W180 CarbonylContact C-O 3.52Å; M45-W180 WeakPolarHBondContact CA-O 3.34Å; M45-I181 HydrophobicContact CB-CD1 4.24Å; M45-I181 HydrophobicContact CG-CD1 3.91Å; M45-I210 HydrophobicContact CE-CB 3.54Å; M45-I210 HydrophobicContact CE-CD1 3.66Å; M45-I210 HydrophobicContact CE-CG1 4.12Å; M45-I210 HydrophobicContact CE-CG2 4.13Å; M45-I210 HydrophobicContact CG-CD1 4.41Å; M45-A211 WeakPolarHBondContact CE-O 3.32Å; M45-I212 HydrophobicContact CE-CG2 4.32Å
46	S	93.5	Very high	90.4	Very high	30 Å²	30	61.9 Å²	61.9	21%	0.21	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	145.7	171.4	-154.6	0	0	0	0	112.1	H48 P178 W180	S46-H48 WeakPolarHBondContact CB-O 3.46Å; S46-H48 PolarHBondContact OG-O 3.26Å; S46-P178 WeakPolarHBondContact O-CB 3.47Å; S46-W180 PolarHBondContact N-O 3.49Å; S46-W180 WeakPolarHBondContact O-CB 3.43Å; S46-W180 PolarHBondContact O-N 3.24Å
47	F	90	Very high	90	Very high	47 Å²	47	64.2 Å²	64.2	21%	0.206	32%	0.321	C	S	.	.	S	Bend	trans	-74.2	-43.1	175.6	-51.8	-68.1	0	0	0	111.5	Y28 I32 F40 W177 P178	Y28-F47 HydrophobicContact CD2-CE1 4.46Å; Y28-F47 HydrophobicContact CD2-CZ 4.34Å; Y28-F47 HydrophobicContact CE2-CD1 4.41Å; Y28-F47 HydrophobicContact CE2-CD2 4.03Å; Y28-F47 AromaticContact CE2-CE1 3.91Å; Y28-F47 HydrophobicContact CE2-CE1 3.91Å; Y28-F47 AromaticContact CE2-CE2 3.46Å; Y28-F47 HydrophobicContact CE2-CE2 3.46Å; Y28-F47 VanDerWaalsContact CE2-CE2 3.46Å; Y28-F47 HydrophobicContact CE2-CG 4.47Å; Y28-F47 AromaticContact CE2-CZ 3.39Å; Y28-F47 HydrophobicContact CE2-CZ 3.39Å; I32-F47 HydrophobicContact CD1-CE1 4.46Å; I32-F47 HydrophobicContact CD1-CZ 3.95Å; F40-F47 HydrophobicContact CD1-CZ 4.14Å; F40-F47 HydrophobicContact CD2-CE1 4.18Å; F40-F47 AromaticContact CD2-CZ 3.8Å; F40-F47 HydrophobicContact CD2-CZ 3.8Å; F40-F47 AromaticContact CE1-CE2 3.51Å; F40-F47 HydrophobicContact CE1-CE2 3.51Å; F40-F47 AromaticContact CE1-CZ 3.46Å; F40-F47 HydrophobicContact CE1-CZ 3.46Å; F40-F47 VanDerWaalsContact CE1-CZ 3.46Å; F40-F47 HydrophobicContact CE2-CD1 4.41Å; F40-F47 AromaticContact CE2-CE1 3.53Å; F40-F47 HydrophobicContact CE2-CE1 3.53Å; F40-F47 AromaticContact CE2-CE2 3.73Å; F40-F47 HydrophobicContact CE2-CE2 3.73Å; F40-F47 AromaticContact CE2-CZ 3.13Å; F40-F47 HydrophobicContact CE2-CZ 3.13Å; F40-F47 HydrophobicContact CG-CZ 4.29Å; F40-F47 AromaticContact CZ-CD2 3.98Å; F40-F47 HydrophobicContact CZ-CD2 3.98Å; F40-F47 AromaticContact CZ-CE1 3.82Å; F40-F47 HydrophobicContact CZ-CE1 3.82Å; F40-F47 AromaticContact CZ-CE2 3.07Å; F40-F47 HydrophobicContact CZ-CE2 3.07Å; F40-F47 AromaticContact CZ-CZ 2.97Å; F40-F47 HydrophobicContact CZ-CZ 2.97Å; F47-W177 AromaticContact CD1-CE2 3.89Å; F47-W177 HydrophobicContact CD1-CH2 4.33Å; F47-W177 AromaticContact CD1-CZ2 3.71Å; F47-W177 HydrophobicContact CD1-CZ2 3.71Å; F47-W177 HydrophobicContact CE1-CD2 4.47Å; F47-W177 AromaticContact CE1-CE2 3.79Å; F47-W177 AromaticContact CE1-CH2 3.43Å; F47-W177 HydrophobicContact CE1-CH2 3.43Å; F47-W177 VanDerWaalsContact CE1-CH2 3.43Å; F47-W177 AromaticContact CE1-CZ2 3.22Å; F47-W177 HydrophobicContact CE1-CZ2 3.22Å; F47-W177 HydrophobicContact CE1-CZ3 4.13Å; F47-W177 HydrophobicContact CZ-CH2 4.16Å; F47-W177 HydrophobicContact CZ-CZ2 4.2Å; F47-P178 HydrophobicContact CD1-CB 4.09Å; F47-P178 HydrophobicContact CD1-CG 4.4Å; F47-P178 HydrophobicContact CE1-CB 4.22Å; F47-P178 HydrophobicContact CE1-CG 4.02Å
48	H	90.3	Very high	89.6	Confident	146 Å²	146	70.7 Å²	70.7	68%	0.676	33%	0.331	S	S	*	.	S	Bend	trans	-108.2	164	-178.7	-53.6	100.2	0	0	0	109.5	S46 P50	S46-H48 WeakPolarHBondContact CB-O 3.46Å; S46-H48 PolarHBondContact OG-O 3.26Å; H48-P50 WeakPolarHBondContact O-CD 3.36Å
49	K	92.6	Very high	89.2	Confident	104 Å²	104	63.5 Å²	63.5	45%	0.452	30%	0.3	S	S	.	.			trans	-57.8	113.6	175.6	-172.5	170	-170.5	173.9	0	110.2	A53 I54 W180	K49-A53 HydrophobicContact CG-CB 4.1Å; K49-I54 HydrophobicContact CD-CG1 3.91Å; K49-I54 HydrophobicContact CG-CD1 4.46Å; K49-I54 HydrophobicContact CG-CG1 3.95Å; K49-W180 VanDerWaalsContact CA-CE2 3.48Å; K49-W180 HydrophobicContact CB-CD2 4.21Å; K49-W180 HydrophobicContact CB-CH2 4.06Å; K49-W180 HydrophobicContact CB-CZ2 3.5Å; K49-W180 HydrophobicContact CD-CH2 3.5Å; K49-W180 VanDerWaalsContact CD-CH2 3.5Å; K49-W180 HydrophobicContact CD-CZ2 3.65Å; K49-W180 HydrophobicContact CD-CZ3 4.27Å; K49-W180 HydrophobicContact CG-CD2 4.3Å; K49-W180 HydrophobicContact CG-CE3 4.27Å; K49-W180 HydrophobicContact CG-CH2 3.48Å; K49-W180 VanDerWaalsContact CG-CH2 3.48Å; K49-W180 HydrophobicContact CG-CZ2 3.49Å; K49-W180 VanDerWaalsContact CG-CZ2 3.49Å; K49-W180 HydrophobicContact CG-CZ3 3.88Å
50	P	91.6	Very high	88.6	Confident	18 Å²	18	66.1 Å²	66.1	12%	0.117	31%	0.307	C	S	.	.			trans	-72.7	154.6	-178.4	27	-29.5	0	0	0	110.4	H48 E52 A53 I54 W169	H48-P50 WeakPolarHBondContact O-CD 3.36Å; P50-E52 PolarHBondContact O-N 3.04Å; P50-A53 HydrophobicContact CG-CB 3.89Å; P50-A53 WeakPolarHBondContact O-CB 3.37Å; P50-A53 PolarHBondContact O-N 2.79Å; P50-I54 PolarHBondContact O-N 3Å; P50-W169 HydrophobicContact CB-CZ2 4.26Å; P50-W169 HydrophobicContact CG-CD2 3.38Å; P50-W169 HydrophobicContact CG-CE3 3.63Å; P50-W169 HydrophobicContact CG-CG 3.82Å; P50-W169 HydrophobicContact CG-CH2 4.11Å; P50-W169 HydrophobicContact CG-CZ2 3.89Å; P50-W169 HydrophobicContact CG-CZ3 3.99Å
51	W	87.1	Confident	87.8	Confident	139 Å²	139	65.5 Å²	65.5	53%	0.527	31%	0.305	S	S	.	.	H	α-helix	trans	-57.9	-33.2	179.9	72.6	-90	0	0	0	112.2	A53 I54 M55 Y56	W51-A53 PolarHBondContact O-N 2.79Å; W51-I54 WeakPolarHBondContact O-CB 3.47Å; W51-I54 PolarHBondContact O-N 3.48Å; W51-I54 VanDerWaalsContact O-N 3.12Å; W51-M55 HydrophobicContact CE3-CB 4.45Å; W51-M55 HydrophobicContact CE3-CG 3.86Å; W51-M55 HydrophobicContact CZ3-CG 4.22Å; W51-M55 WeakPolarHBondContact O-CG 3.41Å; W51-M55 PolarHBondContact O-N 3.49Å; W51-Y56 HydrophobicContact CZ3-CE2 4.29Å
52	E	85.7	Confident	86.9	Confident	55 Å²	55	65.3 Å²	65.3	26%	0.257	30%	0.303	S	S	.	.	H	α-helix	trans	-60.4	-43.8	175.9	-65.8	175.8	176.9	0	0	111.7	P50 I54 M55 Y56 W169 K182	P50-E52 PolarHBondContact O-N 3.04Å; E52-I54 PolarHBondContact O-N 2.85Å; E52-M55 PolarHBondContact O-N 3.02Å; E52-Y56 WeakPolarHBondContact O-CA 2.79Å; E52-Y56 WeakPolarHBondContact O-CB 3.43Å; E52-Y56 PolarHBondContact O-N 3.36Å; E52-W169 PolarHBondContact OE2-NE1 2.84Å; E52-K182 IonicContact OE1-NZ 2.87Å; E52-K182 IonicContact OE2-NZ 3.89Å; E52-K182 PolarHBondContact OE2-NZ 3.41Å
53	A	87.6	Confident	85.1	Confident	4 Å²	4	60 Å²	60	3%	0.033	28%	0.276	C	S	.	.	H	α-helix	trans	-66.1	-24.7	176.3	0	0	0	0	0	112.9	K49 P50 W51 P57 W169 W180	K49-A53 HydrophobicContact CG-CB 4.1Å; P50-A53 HydrophobicContact CG-CB 3.89Å; P50-A53 WeakPolarHBondContact O-CB 3.37Å; P50-A53 PolarHBondContact O-N 2.79Å; W51-A53 PolarHBondContact O-N 2.79Å; A53-P57 VanDerWaalsContact O-CA 3.32Å; A53-P57 WeakPolarHBondContact O-CA 3.46Å; A53-W169 HydrophobicContact CB-CB 3.49Å; A53-W169 VanDerWaalsContact CB-CB 3.49Å; A53-W169 HydrophobicContact CB-CG 3.91Å; A53-W180 HydrophobicContact CB-CE3 4.14Å; A53-W180 HydrophobicContact CB-CZ3 3.89Å
54	I	87	Confident	83.2	Confident	48 Å²	48	58 Å²	58	25%	0.246	27%	0.266	C	S	.	.	H	α-helix	trans	-76.9	-54	175.2	-61.5	172	0	0	0	109.1	K49 P50 W51 E52 Y56 P57 Y99	K49-I54 HydrophobicContact CD-CG1 3.91Å; K49-I54 HydrophobicContact CG-CD1 4.46Å; K49-I54 HydrophobicContact CG-CG1 3.95Å; P50-I54 PolarHBondContact O-N 3Å; W51-I54 WeakPolarHBondContact O-CB 3.47Å; W51-I54 PolarHBondContact O-N 3.48Å; W51-I54 VanDerWaalsContact O-N 3.12Å; E52-I54 PolarHBondContact O-N 2.85Å; I54-Y56 PolarHBondContact O-N 3.45Å; I54-P57 WeakPolarHBondContact O-CD 3.12Å; I54-Y99 HydrophobicContact CG2-CD1 4.07Å; I54-Y99 HydrophobicContact CG2-CD2 3.43Å; I54-Y99 VanDerWaalsContact CG2-CD2 3.43Å; I54-Y99 HydrophobicContact CG2-CE1 4.29Å; I54-Y99 HydrophobicContact CG2-CE2 3.74Å; I54-Y99 HydrophobicContact CG2-CG 3.6Å; I54-Y99 WeakPolarHBondContact O-CE2 3.31Å
55	M	82.8	Confident	81	Confident	56 Å²	56	59.1 Å²	59.1	28%	0.276	27%	0.273	S	S	.	.	H	α-helix	trans	-68	-35.9	-175.9	-64.3	-62.4	-85.5	0	0	112.6	W51 E52 P57	W51-M55 HydrophobicContact CE3-CB 4.45Å; W51-M55 HydrophobicContact CE3-CG 3.86Å; W51-M55 HydrophobicContact CZ3-CG 4.22Å; W51-M55 WeakPolarHBondContact O-CG 3.41Å; W51-M55 PolarHBondContact O-N 3.49Å; E52-M55 PolarHBondContact O-N 3.02Å; M55-P57 VanDerWaalsContact C-CD 3.49Å; M55-P57 WeakPolarHBondContact O-CD 3.22Å
56	Y	86.5	Confident	78.6	Confident	61 Å²	61	67.5 Å²	67.5	24%	0.239	31%	0.309	C	S	.	.			trans	-126.2	68.3	-175.4	-53.9	-78.1	0	0	0	109.7	W51 E52 I54 R58 G59 R60	W51-Y56 HydrophobicContact CZ3-CE2 4.29Å; E52-Y56 WeakPolarHBondContact O-CA 2.79Å; E52-Y56 WeakPolarHBondContact O-CB 3.43Å; E52-Y56 PolarHBondContact O-N 3.36Å; I54-Y56 PolarHBondContact O-N 3.45Å; Y56-R58 PolarHBondContact O-N 3.23Å; Y56-G59 WeakPolarHBondContact CB-O 3.41Å; Y56-G59 WeakPolarHBondContact O-CA 3.33Å; Y56-G59 PolarHBondContact O-N 3.25Å; Y56-R60 HydrophobicContact CD1-CB 3.97Å; Y56-R60 HydrophobicContact CD1-CG 3.97Å; Y56-R60 HydrophobicContact CD2-CB 4.32Å; Y56-R60 HydrophobicContact CE1-CG 4.04Å; Y56-R60 HydrophobicContact CG-CB 3.86Å; Y56-R60 HydrophobicContact CG-CG 4.24Å
57	P	84.8	Confident	76	Confident	61 Å²	61	75.1 Å²	75.1	40%	0.396	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-21.5	-173.4	28	-35.9	0	0	0	113	A53 I54 M55	A53-P57 VanDerWaalsContact O-CA 3.32Å; A53-P57 WeakPolarHBondContact O-CA 3.46Å; I54-P57 WeakPolarHBondContact O-CD 3.12Å; M55-P57 VanDerWaalsContact C-CD 3.49Å; M55-P57 WeakPolarHBondContact O-CD 3.22Å
58	R	82	Confident	73.6	Confident	183 Å²	183	76.5 Å²	76.5	69%	0.691	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.5	-4.7	172.9	-67.5	-169.6	174.2	119.6	2.5	112.4	Y56 Y166 I168	Y56-R58 PolarHBondContact O-N 3.23Å; R58-Y166 WeakPolarHBondContact O-CE1 3.49Å; R58-Y166 PolarHBondContact O-OH 3.35Å; R58-I168 VanDerWaalsContact O-CD1 3.31Å; R58-I168 WeakPolarHBondContact O-CD1 3.48Å
59	G	84.1	Confident	71.2	Confident	10 Å²	10	76.1 Å²	76.1	10%	0.103	34%	0.337	C	S	.	.			trans	98.6	175.1	-167.9	0	0	0	0	0	114	Y56 Y166 Y167	Y56-G59 WeakPolarHBondContact CB-O 3.41Å; Y56-G59 WeakPolarHBondContact O-CA 3.33Å; Y56-G59 PolarHBondContact O-N 3.25Å; G59-Y166 VanDerWaalsContact C-CE2 3.48Å; G59-Y166 VanDerWaalsContact CA-CZ 3.42Å; G59-Y166 WeakPolarHBondContact CA-OH 3.29Å; G59-Y166 PolarHBondContact N-OH 3.45Å; G59-Y166 PolarHBondContact O-OH 2.96Å; G59-Y166 VanDerWaalsContact O-OH 3.12Å; G59-Y167 CarbonylContact C-O 3.57Å; G59-Y167 WeakPolarHBondContact CA-O 3.24Å
60	R	81.3	Confident	68.6	Low	99 Å²	99	76.2 Å²	76.2	37%	0.374	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	137.6	-179.5	-169	-171.3	174	-176.4	-7.6	110.1	Y56 D113 Y166 Y167	Y56-R60 HydrophobicContact CD1-CB 3.97Å; Y56-R60 HydrophobicContact CD1-CG 3.97Å; Y56-R60 HydrophobicContact CD2-CB 4.32Å; Y56-R60 HydrophobicContact CE1-CG 4.04Å; Y56-R60 HydrophobicContact CG-CB 3.86Å; Y56-R60 HydrophobicContact CG-CG 4.24Å; R60-D113 WeakPolarHBondContact CA-OD2 3.36Å; R60-D113 WeakPolarHBondContact CG-OD2 3.28Å; R60-D113 IonicContact NE-OD1 3.89Å; R60-Y166 WeakPolarHBondContact O-CD2 3.34Å; R60-Y167 PolarHBondContact N-O 2.68Å; R60-Y167 PolarHBondContact O-N 3.1Å
61	L	77.3	Confident	66.2	Low	20 Å²	20	77.9 Å²	77.9	11%	0.105	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	131.3	169.1	-73.7	168.9	0	0	0	109.7	D113 S115 S116 P164 Y166 V187	L61-D113 PolarHBondContact N-OD2 2.96Å; L61-S115 WeakPolarHBondContact CB-OG 3.42Å; L61-S115 VanDerWaalsContact O-CB 3.23Å; L61-S115 WeakPolarHBondContact O-CB 3.35Å; L61-S115 PolarHBondContact O-OG 2.7Å; L61-S116 WeakPolarHBondContact CD1-OG 3.44Å; L61-P164 HydrophobicContact CD2-CB 4.2Å; L61-P164 HydrophobicContact CD2-CG 4.43Å; L61-Y166 HydrophobicContact CB-CD2 4.33Å; L61-Y166 HydrophobicContact CD2-CD2 3.57Å; L61-Y166 HydrophobicContact CD2-CG 4.22Å; L61-Y166 HydrophobicContact CG-CD2 3.6Å; L61-Y166 HydrophobicContact CG-CE2 4.13Å; L61-V187 HydrophobicContact CD2-CG2 3.4Å
62	I	71.7	Confident	63.9	Low	55 Å²	55	75 Å²	75	28%	0.282	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	107.7	163	-54.3	-168.4	0	0	0	106.2	F64 L165 Y167	I62-F64 HydrophobicContact CB-CE2 4.12Å; I62-F64 HydrophobicContact CB-CZ 4.35Å; I62-F64 HydrophobicContact CG2-CD1 4.08Å; I62-F64 HydrophobicContact CG2-CD2 3.92Å; I62-F64 HydrophobicContact CG2-CE1 3.74Å; I62-F64 HydrophobicContact CG2-CE2 3.57Å; I62-F64 HydrophobicContact CG2-CG 4.17Å; I62-F64 HydrophobicContact CG2-CZ 3.48Å; I62-F64 VanDerWaalsContact CG2-CZ 3.48Å; I62-F64 PolarHBondContact O-N 3.14Å; I62-L165 PolarHBondContact N-O 3.3Å; I62-Y167 HydrophobicContact CD1-CD2 3.35Å; I62-Y167 HydrophobicContact CD1-CE2 3.72Å; I62-Y167 HydrophobicContact CG1-CD2 3.91Å
63	S	54.3	Low	61.7	Low	10 Å²	10	78.2 Å²	78.2	7%	0.07	36%	0.362	C	S	.	.			trans	-87.4	97.3	168.7	-174.4	0	0	0	0	107.4	T65	S63-T65 VanDerWaalsContact C-N 3.34Å; S63-T65 PolarHBondContact O-N 2.84Å; S63-T65 VanDerWaalsContact O-N 3.08Å
64	F	50	Low	59.3	Low	66 Å²	66	81.8 Å²	81.8	29%	0.289	38%	0.383	S	S	.	.			trans	-73.3	97	163.5	-59.6	-78.2	0	0	0	106.7	I62 L72 N162	I62-F64 HydrophobicContact CB-CE2 4.12Å; I62-F64 HydrophobicContact CB-CZ 4.35Å; I62-F64 HydrophobicContact CG2-CD1 4.08Å; I62-F64 HydrophobicContact CG2-CD2 3.92Å; I62-F64 HydrophobicContact CG2-CE1 3.74Å; I62-F64 HydrophobicContact CG2-CE2 3.57Å; I62-F64 HydrophobicContact CG2-CG 4.17Å; I62-F64 HydrophobicContact CG2-CZ 3.48Å; I62-F64 VanDerWaalsContact CG2-CZ 3.48Å; I62-F64 PolarHBondContact O-N 3.14Å; F64-L72 HydrophobicContact CE1-CD2 3.87Å; F64-N162 PolarHBondContact O-ND2 3.2Å; F64-N162 VanDerWaalsContact O-ND2 3.16Å
65	T	47	Very low	56.9	Low	27 Å²	27	83.3 Å²	83.3	17%	0.166	39%	0.391	C	S	.	.			trans	-69.4	152	155.1	66	0	0	0	0	107.6	S63 Y67 D68 R69	S63-T65 VanDerWaalsContact C-N 3.34Å; S63-T65 PolarHBondContact O-N 2.84Å; S63-T65 VanDerWaalsContact O-N 3.08Å; T65-Y67 PolarHBondContact O-N 2.98Å; T65-D68 WeakPolarHBondContact O-CA 3.45Å; T65-D68 WeakPolarHBondContact O-CB 3.4Å; T65-D68 PolarHBondContact O-N 2.92Å; T65-D68 PolarHBondContact OG1-N 3.22Å; T65-D68 VanDerWaalsContact OG1-N 3.13Å; T65-R69 PolarHBondContact O-N 3.35Å
66	K	43.4	Very low	55	Low	178 Å²	178	84 Å²	84	77%	0.774	40%	0.398	S	S	*	.	H	α-helix	trans	-55.5	-25.8	173.9	-166.8	176.7	-179.8	178.4	0	112
67	Y	38.1	Very low	52.8	Low	191 Å²	191	84.3 Å²	84.3	75%	0.749	41%	0.409	S	S	*	.	H	α-helix	trans	-73.7	-34.2	174	-162.3	-97.5	0	0	0	112.8	T65 R69 T71	T65-Y67 PolarHBondContact O-N 2.98Å; Y67-R69 VanDerWaalsContact C-N 3.34Å; Y67-R69 PolarHBondContact O-N 2.76Å; Y67-T71 PolarHBondContact O-N 2.98Å; Y67-T71 PolarHBondContact O-OG1 3.19Å
68	D	41.2	Very low	50.4	Low	76 Å²	76	87 Å²	87	41%	0.406	42%	0.42	S	S	.	.	H	α-helix	trans	-70.7	-27.3	176	-112.1	-34.2	0	0	0	113.1	T65 N70 T71 L72	T65-D68 WeakPolarHBondContact O-CA 3.45Å; T65-D68 WeakPolarHBondContact O-CB 3.4Å; T65-D68 PolarHBondContact O-N 2.92Å; T65-D68 PolarHBondContact OG1-N 3.22Å; T65-D68 VanDerWaalsContact OG1-N 3.13Å; D68-N70 PolarHBondContact O-N 2.78Å; D68-T71 PolarHBondContact O-N 3.32Å; D68-L72 VanDerWaalsContact O-CB 3.26Å; D68-L72 WeakPolarHBondContact O-CB 3.39Å; D68-L72 PolarHBondContact O-N 2.84Å
69	R	39.2	Very low	48.4	Very low	138 Å²	138	82.9 Å²	82.9	52%	0.521	41%	0.412	S	S	.	.	H	α-helix	trans	-60.7	-47.7	178.1	-125.6	-172.3	-81	178.9	-9.8	111.5	T65 Y67 T71 L72 E73	T65-R69 PolarHBondContact O-N 3.35Å; Y67-R69 VanDerWaalsContact C-N 3.34Å; Y67-R69 PolarHBondContact O-N 2.76Å; R69-T71 PolarHBondContact O-N 2.94Å; R69-L72 PolarHBondContact O-N 2.84Å; R69-E73 WeakPolarHBondContact O-CG 3.18Å; R69-E73 PolarHBondContact O-N 2.86Å
70	N	38.2	Very low	46.2	Very low	106 Å²	106	92.9 Å²	92.9	57%	0.567	45%	0.446	S	S	*	.	H	α-helix	trans	-67	-37.6	176.5	-65.4	9.4	0	0	0	111.8	D68 E73 T74	D68-N70 PolarHBondContact O-N 2.78Å; N70-E73 PolarHBondContact O-N 2.81Å; N70-T74 WeakPolarHBondContact O-CB 3.31Å; N70-T74 PolarHBondContact O-N 2.87Å; N70-T74 PolarHBondContact O-OG1 2.9Å
71	T	40.4	Very low	44.3	Very low	52 Å²	52	94.9 Å²	94.9	32%	0.319	46%	0.464	S	S	.	.	H	α-helix	trans	-71.1	-37.1	-179	-41.7	0	0	0	0	111.3	Y67 D68 R69 T74 I75	Y67-T71 PolarHBondContact O-N 2.98Å; Y67-T71 PolarHBondContact O-OG1 3.19Å; D68-T71 PolarHBondContact O-N 3.32Å; R69-T71 PolarHBondContact O-N 2.94Å; T71-T74 CarbonylContact O-C 3.57Å; T71-T74 WeakPolarHBondContact O-CB 3.49Å; T71-T74 PolarHBondContact O-N 3.48Å; T71-I75 HydrophobicContact CG2-CD1 4.11Å; T71-I75 VanDerWaalsContact O-CG1 3.28Å; T71-I75 WeakPolarHBondContact O-CG1 3.48Å; T71-I75 PolarHBondContact O-N 3.14Å
72	L	40.1	Very low	42.3	Very low	78 Å²	78	104.5 Å²	104.5	41%	0.408	50%	0.499	S	S	.	.	H	α-helix	trans	-71.1	-38.2	175.2	-172.1	65	0	0	0	111.6	F64 D68 R69 T74 I75 T76	F64-L72 HydrophobicContact CE1-CD2 3.87Å; D68-L72 VanDerWaalsContact O-CB 3.26Å; D68-L72 WeakPolarHBondContact O-CB 3.39Å; D68-L72 PolarHBondContact O-N 2.84Å; R69-L72 PolarHBondContact O-N 2.84Å; L72-T74 PolarHBondContact O-N 3.31Å; L72-I75 PolarHBondContact O-N 3.13Å; L72-T76 HydrophobicContact CD1-CG2 4.16Å; L72-T76 HydrophobicContact CG-CG2 4.16Å; L72-T76 VanDerWaalsContact O-CB 3.27Å; L72-T76 WeakPolarHBondContact O-CB 3.38Å; L72-T76 VanDerWaalsContact O-CG2 3.25Å; L72-T76 WeakPolarHBondContact O-CG2 3.45Å; L72-T76 PolarHBondContact O-N 2.85Å; L72-T76 PolarHBondContact O-OG1 2.78Å
73	E	38.5	Very low	40.6	Very low	124 Å²	124	113 Å²	113	58%	0.579	53%	0.527	S	S	*	.	H	α-helix	trans	-59.4	-36.7	169	-75.1	172.1	-175.3	0	0	111.4	R69 N70 T76 S77	R69-E73 WeakPolarHBondContact O-CG 3.18Å; R69-E73 PolarHBondContact O-N 2.86Å; N70-E73 PolarHBondContact O-N 2.81Å; E73-T76 WeakPolarHBondContact CA-OG1 3.29Å; E73-T76 PolarHBondContact O-OG1 2.85Å; E73-S77 WeakPolarHBondContact O-CB 3.34Å; E73-S77 PolarHBondContact O-N 2.79Å; E73-S77 PolarHBondContact O-OG 3.31Å
74	T	38.6	Very low	39.7	Very low	78 Å²	78	117.6 Å²	117.6	48%	0.479	56%	0.56	S	S	.	*	H	α-helix	trans	-70.7	-41.7	175.1	-48.1	0	0	0	0	111.8	N70 T71 L72 S77 L78	N70-T74 WeakPolarHBondContact O-CB 3.31Å; N70-T74 PolarHBondContact O-N 2.87Å; N70-T74 PolarHBondContact O-OG1 2.9Å; T71-T74 CarbonylContact O-C 3.57Å; T71-T74 WeakPolarHBondContact O-CB 3.49Å; T71-T74 PolarHBondContact O-N 3.48Å; L72-T74 PolarHBondContact O-N 3.31Å; T74-S77 WeakPolarHBondContact CA-OG 3.29Å; T74-S77 PolarHBondContact O-OG 3.09Å; T74-L78 HydrophobicContact CG2-CD1 4.35Å; T74-L78 WeakPolarHBondContact O-CB 3.47Å; T74-L78 WeakPolarHBondContact O-CD1 3.24Å; T74-L78 WeakPolarHBondContact O-CG 3.35Å; T74-L78 PolarHBondContact O-N 3.03Å; T74-L78 VanDerWaalsContact O-N 3.09Å
75	I	34.8	Very low	39.1	Very low	80 Å²	80	125.8 Å²	125.8	41%	0.41	59%	0.589	S	S	.	*	H	α-helix	trans	-74.2	-35.4	179.5	-68	164.9	0	0	0	111.7	T71 L72 L78 N79	T71-I75 HydrophobicContact CG2-CD1 4.11Å; T71-I75 VanDerWaalsContact O-CG1 3.28Å; T71-I75 WeakPolarHBondContact O-CG1 3.48Å; T71-I75 PolarHBondContact O-N 3.14Å; L72-I75 PolarHBondContact O-N 3.13Å; I75-L78 PolarHBondContact O-N 3.22Å; I75-N79 WeakPolarHBondContact O-CB 3.49Å; I75-N79 PolarHBondContact O-N 3.43Å
76	T	44.7	Very low	38.8	Very low	70 Å²	70	134.9 Å²	134.9	43%	0.429	63%	0.626	S	S	.	*	H	α-helix	trans	-71.2	-35.3	176.5	51	0	0	0	0	111.8	L72 E73 N79 R80	L72-T76 HydrophobicContact CD1-CG2 4.16Å; L72-T76 HydrophobicContact CG-CG2 4.16Å; L72-T76 VanDerWaalsContact O-CB 3.27Å; L72-T76 WeakPolarHBondContact O-CB 3.38Å; L72-T76 VanDerWaalsContact O-CG2 3.25Å; L72-T76 WeakPolarHBondContact O-CG2 3.45Å; L72-T76 PolarHBondContact O-N 2.85Å; L72-T76 PolarHBondContact O-OG1 2.78Å; E73-T76 WeakPolarHBondContact CA-OG1 3.29Å; E73-T76 PolarHBondContact O-OG1 2.85Å; T76-N79 PolarHBondContact O-N 2.98Å; T76-R80 PolarHBondContact O-N 3.1Å
77	S	40.3	Very low	38.7	Very low	68 Å²	68	132.8 Å²	132.8	48%	0.476	62%	0.622	S	S	.	*	H	α-helix	trans	-66.1	-36.2	168.8	53	0	0	0	0	112.4	E73 T74	E73-S77 WeakPolarHBondContact O-CB 3.34Å; E73-S77 PolarHBondContact O-N 2.79Å; E73-S77 PolarHBondContact O-OG 3.31Å; T74-S77 WeakPolarHBondContact CA-OG 3.29Å; T74-S77 PolarHBondContact O-OG 3.09Å
78	L	32.4	Very low	39	Very low	119 Å²	119	131.6 Å²	131.6	62%	0.623	62%	0.621	S	S	*	*	H	α-helix	trans	-71.6	-34.3	174.9	-69.7	168.2	0	0	0	113.5	T74 I75	T74-L78 HydrophobicContact CG2-CD1 4.35Å; T74-L78 WeakPolarHBondContact O-CB 3.47Å; T74-L78 WeakPolarHBondContact O-CD1 3.24Å; T74-L78 WeakPolarHBondContact O-CG 3.35Å; T74-L78 PolarHBondContact O-N 3.03Å; T74-L78 VanDerWaalsContact O-N 3.09Å; I75-L78 PolarHBondContact O-N 3.22Å
79	N	40.3	Very low	39.6	Very low	96 Å²	96	134.4 Å²	134.4	51%	0.513	64%	0.635	S	S	.	*	H	α-helix	trans	-81.4	-18.1	-176.3	-83.7	-26.1	0	0	0	114.7	I75 T76 N81 R82	I75-N79 WeakPolarHBondContact O-CB 3.49Å; I75-N79 PolarHBondContact O-N 3.43Å; T76-N79 PolarHBondContact O-N 2.98Å; N79-N81 PolarHBondContact O-N 3.46Å; N79-R82 PolarHBondContact O-N 2.85Å
80	R	38.6	Very low	40.2	Very low	220 Å²	220	134.9 Å²	134.9	83%	0.83	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.3	-19.2	170.6	-80.1	-179.3	-179.8	171.8	1.8	112.7	T76	T76-R80 PolarHBondContact O-N 3.1Å
81	N	41	Very low	40.9	Very low	140 Å²	140	135.9 Å²	135.9	75%	0.749	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.8	4.4	-177.5	-72	-19.8	0	0	0	116	N79	N79-N81 PolarHBondContact O-N 3.46Å
82	R	36.5	Very low	41.3	Very low	222 Å²	222	138.7 Å²	138.7	84%	0.838	65%	0.652	S	S	*	*			trans	-110.7	65.6	174.7	-81.2	-176.9	177.3	158.5	-0.1	112.4	N79	N79-R82 PolarHBondContact O-N 2.85Å
83	R	35.2	Very low	41.9	Very low	233 Å²	233	140.4 Å²	140.4	88%	0.879	66%	0.658	S	S	*	*			trans	-64.8	139.8	162.9	-94.6	176.6	173	168.4	-1.8	110.9
84	S	34.8	Very low	43	Very low	108 Å²	108	140.3 Å²	140.3	76%	0.755	66%	0.657	S	S	*	*			trans	78.4	108.1	153	-57.3	0	0	0	0	118.7
85	R	39	Very low	43.5	Very low	238 Å²	238	140.9 Å²	140.9	90%	0.898	66%	0.657	S	S	*	*			trans	-162.9	118.4	135.8	-104.4	159	-170.3	169.9	3.3	110.5	I87	R85-I87 PolarHBondContact O-N 3.1Å; R85-I87 VanDerWaalsContact O-N 3.16Å
86	K	38.7	Very low	44.5	Very low	217 Å²	217	140.3 Å²	140.3	94%	0.943	65%	0.654	S	S	*	*			trans	-41.9	114.5	169.6	-88.9	172.1	169.2	172.9	0	110.5	K88	K86-K88 PolarHBondContact O-N 2.9Å
87	I	43.1	Very low	45.4	Very low	135 Å²	135	141.7 Å²	141.7	69%	0.692	66%	0.659	S	S	*	*			trans	-79.5	98	176.5	-62.8	167	0	0	0	107.3	R85 K91	R85-I87 PolarHBondContact O-N 3.1Å; R85-I87 VanDerWaalsContact O-N 3.16Å; I87-K91 HydrophobicContact CG2-CB 4.13Å
88	K	44.1	Very low	46.5	Very low	165 Å²	165	143.1 Å²	143.1	72%	0.717	66%	0.66	S	S	*	*			trans	-67.7	140.4	174.4	-120.7	175	177.7	-178	0	109.7	K86 Q90 K91	K86-K88 PolarHBondContact O-N 2.9Å; K88-Q90 PolarHBondContact O-N 3.49Å; K88-K91 PolarHBondContact O-N 2.93Å
89	L	52.4	Low	47.6	Very low	135 Å²	135	139.7 Å²	139.7	71%	0.707	64%	0.64	S	S	*	*	H	α-helix	trans	-44.2	-29.7	-177.1	-86	97.4	0	0	0	115.3	K91 Q92 Q93	L89-K91 VanDerWaalsContact C-N 3.27Å; L89-K91 PolarHBondContact O-N 3.32Å; L89-Q92 WeakPolarHBondContact O-CA 3.32Å; L89-Q92 VanDerWaalsContact O-CB 3.26Å; L89-Q92 WeakPolarHBondContact O-CB 3.34Å; L89-Q92 PolarHBondContact O-N 3.19Å; L89-Q93 PolarHBondContact O-N 2.86Å; L89-Q93 VanDerWaalsContact O-N 3.17Å
90	Q	53	Low	48.8	Very low	149 Å²	149	139.4 Å²	139.4	70%	0.696	64%	0.638	S	S	*	*	H	α-helix	trans	-58	-33.6	176	-81.7	172.5	-21.8	0	0	114.1	K88 Q92 Q93 Q94	K88-Q90 PolarHBondContact O-N 3.49Å; Q90-Q92 VanDerWaalsContact C-N 3.32Å; Q90-Q93 PolarHBondContact O-N 3.12Å; Q90-Q94 WeakPolarHBondContact O-CG 3.4Å; Q90-Q94 PolarHBondContact O-N 3.32Å; Q90-Q94 VanDerWaalsContact O-N 3.13Å
91	K	52.7	Low	50.2	Low	126 Å²	126	138 Å²	138	55%	0.548	63%	0.633	S	S	.	*	H	α-helix	trans	-70.2	-30.5	173.7	-82.5	-176.3	174.4	-177.6	0	112	I87 K88 L89 L95	I87-K91 HydrophobicContact CG2-CB 4.13Å; K88-K91 PolarHBondContact O-N 2.93Å; L89-K91 VanDerWaalsContact C-N 3.27Å; L89-K91 PolarHBondContact O-N 3.32Å; K91-L95 WeakPolarHBondContact O-CB 3.21Å; K91-L95 WeakPolarHBondContact O-CD1 3.43Å; K91-L95 WeakPolarHBondContact O-CG 3.07Å; K91-L95 PolarHBondContact O-N 3.05Å
92	Q	49.8	Very low	50.8	Low	112 Å²	112	134.2 Å²	134.2	52%	0.523	61%	0.608	S	S	.	*	H	α-helix	trans	-67.4	-42.3	175.3	-167.7	172.5	48.9	0	0	110.9	L89 Q90 L95 I96	L89-Q92 WeakPolarHBondContact O-CA 3.32Å; L89-Q92 VanDerWaalsContact O-CB 3.26Å; L89-Q92 WeakPolarHBondContact O-CB 3.34Å; L89-Q92 PolarHBondContact O-N 3.19Å; Q90-Q92 VanDerWaalsContact C-N 3.32Å; Q92-L95 WeakPolarHBondContact O-CB 3.33Å; Q92-L95 PolarHBondContact O-N 3.35Å; Q92-I96 HydrophobicContact CG-CD1 4.48Å; Q92-I96 WeakPolarHBondContact O-CG1 3.4Å; Q92-I96 PolarHBondContact O-N 2.89Å
93	Q	52	Low	51.6	Low	113 Å²	113	126 Å²	126	53%	0.528	58%	0.581	S	S	.	*	H	α-helix	trans	-63.9	-41.9	175.5	-143.9	77.6	38.7	0	0	112.3	L89 Q90 L95 I96 N97	L89-Q93 PolarHBondContact O-N 2.86Å; L89-Q93 VanDerWaalsContact O-N 3.17Å; Q90-Q93 PolarHBondContact O-N 3.12Å; Q93-L95 VanDerWaalsContact C-N 3.31Å; Q93-L95 PolarHBondContact O-N 2.97Å; Q93-I96 PolarHBondContact O-N 2.87Å; Q93-N97 PolarHBondContact O-N 2.8Å
94	Q	60.7	Low	52.8	Low	122 Å²	122	123.1 Å²	123.1	57%	0.57	58%	0.575	S	S	*	*	H	α-helix	trans	-61.1	-40.5	174	-75.5	176.9	-7.2	0	0	111.9	Q90 N97 I98	Q90-Q94 WeakPolarHBondContact O-CG 3.4Å; Q90-Q94 PolarHBondContact O-N 3.32Å; Q90-Q94 VanDerWaalsContact O-N 3.13Å; Q94-N97 PolarHBondContact O-N 2.9Å; Q94-I98 WeakPolarHBondContact O-CD1 3.49Å; Q94-I98 VanDerWaalsContact O-CG1 3.24Å; Q94-I98 WeakPolarHBondContact O-CG1 3.16Å; Q94-I98 PolarHBondContact O-N 3.3Å
95	L	49.2	Very low	53.8	Low	91 Å²	91	125.4 Å²	125.4	48%	0.476	57%	0.571	S	S	.	*	H	α-helix	trans	-64.2	-39.9	175.3	-74.7	164	0	0	0	112.2	K91 Q92 Q93 I98 Y99	K91-L95 WeakPolarHBondContact O-CB 3.21Å; K91-L95 WeakPolarHBondContact O-CD1 3.43Å; K91-L95 WeakPolarHBondContact O-CG 3.07Å; K91-L95 PolarHBondContact O-N 3.05Å; Q92-L95 WeakPolarHBondContact O-CB 3.33Å; Q92-L95 PolarHBondContact O-N 3.35Å; Q93-L95 VanDerWaalsContact C-N 3.31Å; Q93-L95 PolarHBondContact O-N 2.97Å; L95-I98 PolarHBondContact O-N 2.81Å; L95-Y99 VanDerWaalsContact O-CB 3.28Å; L95-Y99 WeakPolarHBondContact O-CB 3.47Å; L95-Y99 PolarHBondContact O-N 2.82Å
96	I	57.1	Low	54.2	Low	67 Å²	67	117 Å²	117	34%	0.344	54%	0.541	S	S	.	.	H	α-helix	trans	-61.6	-45.3	174.5	-66.9	163.6	0	0	0	110.6	Q92 Q93 I98 Y99 D100	Q92-I96 HydrophobicContact CG-CD1 4.48Å; Q92-I96 WeakPolarHBondContact O-CG1 3.4Å; Q92-I96 PolarHBondContact O-N 2.89Å; Q93-I96 PolarHBondContact O-N 2.87Å; I96-I98 PolarHBondContact O-N 2.67Å; I96-Y99 CarbonylContact O-C 3.56Å; I96-Y99 WeakPolarHBondContact O-CA 3.43Å; I96-Y99 WeakPolarHBondContact O-CB 3.28Å; I96-Y99 PolarHBondContact O-N 2.84Å; I96-Y99 VanDerWaalsContact O-N 3.1Å; I96-D100 PolarHBondContact O-N 2.79Å
97	N	63.7	Low	54.7	Low	100 Å²	100	118.2 Å²	118.2	54%	0.535	54%	0.54	S	S	.	.	H	α-helix	trans	-66.1	-38.7	179.1	-68	-12.6	0	0	0	112.7	Q93 Q94 Y99 R101	Q93-N97 PolarHBondContact O-N 2.8Å; Q94-N97 PolarHBondContact O-N 2.9Å; N97-Y99 VanDerWaalsContact C-N 3.27Å; N97-R101 WeakPolarHBondContact O-CB 3.4Å; N97-R101 PolarHBondContact O-N 2.66Å; N97-R101 VanDerWaalsContact O-N 3.1Å
98	I	62.9	Low	55	Low	98 Å²	98	120.6 Å²	120.6	50%	0.503	55%	0.545	S	S	.	.	H	α-helix	trans	-62.3	-40.2	172.5	-70	165.1	0	0	0	109.9	Q94 L95 I96 R101 Y102	Q94-I98 WeakPolarHBondContact O-CD1 3.49Å; Q94-I98 VanDerWaalsContact O-CG1 3.24Å; Q94-I98 WeakPolarHBondContact O-CG1 3.16Å; Q94-I98 PolarHBondContact O-N 3.3Å; L95-I98 PolarHBondContact O-N 2.81Å; I96-I98 PolarHBondContact O-N 2.67Å; I98-R101 PolarHBondContact O-N 2.77Å; I98-Y102 WeakPolarHBondContact O-CB 3.4Å; I98-Y102 PolarHBondContact O-N 3.39Å
99	Y	54.5	Low	54.7	Low	47 Å²	47	119.4 Å²	119.4	18%	0.184	54%	0.542	C	S	.	.	H	α-helix	trans	-66.8	-45.6	178.7	178.6	-109.2	0	0	0	112.9	I54 L95 I96 N97 R101 Y102 N103	I54-Y99 HydrophobicContact CG2-CD1 4.07Å; I54-Y99 HydrophobicContact CG2-CD2 3.43Å; I54-Y99 VanDerWaalsContact CG2-CD2 3.43Å; I54-Y99 HydrophobicContact CG2-CE1 4.29Å; I54-Y99 HydrophobicContact CG2-CE2 3.74Å; I54-Y99 HydrophobicContact CG2-CG 3.6Å; I54-Y99 WeakPolarHBondContact O-CE2 3.31Å; L95-Y99 VanDerWaalsContact O-CB 3.28Å; L95-Y99 WeakPolarHBondContact O-CB 3.47Å; L95-Y99 PolarHBondContact O-N 2.82Å; I96-Y99 CarbonylContact O-C 3.56Å; I96-Y99 WeakPolarHBondContact O-CA 3.43Å; I96-Y99 WeakPolarHBondContact O-CB 3.28Å; I96-Y99 PolarHBondContact O-N 2.84Å; I96-Y99 VanDerWaalsContact O-N 3.1Å; N97-Y99 VanDerWaalsContact C-N 3.27Å; Y99-R101 VanDerWaalsContact C-N 3.29Å; Y99-R101 PolarHBondContact O-N 3.26Å; Y99-Y102 WeakPolarHBondContact O-CB 3.05Å; Y99-Y102 PolarHBondContact O-N 3.24Å; Y99-Y102 VanDerWaalsContact O-N 3.13Å; Y99-N103 WeakPolarHBondContact CE1-ND2 3.33Å; Y99-N103 PolarHBondContact O-N 3.16Å; Y99-N103 PolarHBondContact OH-ND2 2.91Å; Y99-N103 VanDerWaalsContact OH-ND2 3.08Å
100	D	65.6	Low	54.3	Low	90 Å²	90	121.2 Å²	121.2	48%	0.481	55%	0.553	S	S	.	*	H	α-helix	trans	-61.3	-40.8	175.9	-73	-24.7	0	0	0	111.2	I96 Y102 N103 K104	I96-D100 PolarHBondContact O-N 2.79Å; D100-Y102 PolarHBondContact O-N 2.99Å; D100-N103 PolarHBondContact O-N 2.66Å; D100-K104 VanDerWaalsContact O-CB 3.26Å; D100-K104 WeakPolarHBondContact O-CB 3.46Å; D100-K104 PolarHBondContact O-N 2.94Å
101	R	68.9	Low	53.9	Low	190 Å²	190	118.9 Å²	118.9	72%	0.717	54%	0.541	S	S	*	.	H	α-helix	trans	-63.5	-39.9	174.4	-166.6	176.4	-172.6	174.8	1.8	112.1	N97 I98 Y99 K105	N97-R101 WeakPolarHBondContact O-CB 3.4Å; N97-R101 PolarHBondContact O-N 2.66Å; N97-R101 VanDerWaalsContact O-N 3.1Å; I98-R101 PolarHBondContact O-N 2.77Å; Y99-R101 VanDerWaalsContact C-N 3.29Å; Y99-R101 PolarHBondContact O-N 3.26Å; R101-K105 PolarHBondContact O-N 2.81Å
102	Y	53.2	Low	53.7	Low	60 Å²	60	117.3 Å²	117.3	24%	0.235	54%	0.542	C	S	.	.	H	α-helix	trans	-66.6	-49.1	175.3	171.7	-99.3	0	0	0	112	I98 Y99 D100 K104 K105 K106	I98-Y102 WeakPolarHBondContact O-CB 3.4Å; I98-Y102 PolarHBondContact O-N 3.39Å; Y99-Y102 WeakPolarHBondContact O-CB 3.05Å; Y99-Y102 PolarHBondContact O-N 3.24Å; Y99-Y102 VanDerWaalsContact O-N 3.13Å; D100-Y102 PolarHBondContact O-N 2.99Å; Y102-K104 VanDerWaalsContact C-N 3.28Å; Y102-K104 PolarHBondContact O-N 3.34Å; Y102-K105 CarbonylContact O-C 3.44Å; Y102-K105 WeakPolarHBondContact O-CA 3.16Å; Y102-K105 WeakPolarHBondContact O-CB 3.4Å; Y102-K105 PolarHBondContact O-N 3.47Å; Y102-K105 VanDerWaalsContact O-N 3.08Å; Y102-K106 HydrophobicContact CE1-CD 3.73Å; Y102-K106 WeakPolarHBondContact O-CB 3.14Å; Y102-K106 PolarHBondContact O-N 3.13Å
103	N	53	Low	53.9	Low	50 Å²	50	113.1 Å²	113.1	27%	0.267	52%	0.523	S	S	.	.	H	α-helix	trans	-60.3	-38	177.4	-88.6	-13.4	0	0	0	112.2	Y99 D100 K105 K106 R107	Y99-N103 WeakPolarHBondContact CE1-ND2 3.33Å; Y99-N103 PolarHBondContact O-N 3.16Å; Y99-N103 PolarHBondContact OH-ND2 2.91Å; Y99-N103 VanDerWaalsContact OH-ND2 3.08Å; D100-N103 PolarHBondContact O-N 2.66Å; N103-K105 VanDerWaalsContact C-N 3.33Å; N103-K105 PolarHBondContact O-N 2.81Å; N103-K106 PolarHBondContact O-N 3.19Å; N103-R107 PolarHBondContact O-N 3.46Å
104	K	61.4	Low	53.8	Low	172 Å²	172	110.7 Å²	110.7	75%	0.748	52%	0.518	S	S	*	.	H	α-helix	trans	-65.3	-34.9	175.7	-156.5	171.7	-171.5	175.3	0	112.1	D100 Y102	D100-K104 VanDerWaalsContact O-CB 3.26Å; D100-K104 WeakPolarHBondContact O-CB 3.46Å; D100-K104 PolarHBondContact O-N 2.94Å; Y102-K104 VanDerWaalsContact C-N 3.28Å; Y102-K104 PolarHBondContact O-N 3.34Å
105	K	54.6	Low	53.6	Low	157 Å²	157	105.5 Å²	105.5	68%	0.683	49%	0.494	S	S	*	.	H	α-helix	trans	-71.3	-40.1	169.2	-90.7	-176	172.5	-176.6	0	112.4	R101 Y102 N103 R107 K108	R101-K105 PolarHBondContact O-N 2.81Å; Y102-K105 CarbonylContact O-C 3.44Å; Y102-K105 WeakPolarHBondContact O-CA 3.16Å; Y102-K105 WeakPolarHBondContact O-CB 3.4Å; Y102-K105 PolarHBondContact O-N 3.47Å; Y102-K105 VanDerWaalsContact O-N 3.08Å; N103-K105 VanDerWaalsContact C-N 3.33Å; N103-K105 PolarHBondContact O-N 2.81Å; K105-R107 PolarHBondContact O-N 3.49Å; K105-K108 PolarHBondContact O-N 2.92Å
106	K	46.8	Very low	53.9	Low	60 Å²	60	102.6 Å²	102.6	26%	0.261	48%	0.482	S	S	.	.	H	α-helix	trans	-67.2	-33.8	-176.2	-169.7	177.7	-174.3	167	0	113.7	Y102 N103 K108 Q109	Y102-K106 HydrophobicContact CE1-CD 3.73Å; Y102-K106 WeakPolarHBondContact O-CB 3.14Å; Y102-K106 PolarHBondContact O-N 3.13Å; N103-K106 PolarHBondContact O-N 3.19Å; K106-K108 PolarHBondContact O-N 3.39Å; K106-Q109 PolarHBondContact O-N 3.08Å
107	R	49.6	Very low	54	Low	243 Å²	243	102.8 Å²	102.8	92%	0.917	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-18.4	172.5	-92.6	-177.9	155.8	169.1	-5.9	113.6	N103 K105	N103-R107 PolarHBondContact O-N 3.46Å; K105-R107 PolarHBondContact O-N 3.49Å
108	K	50.5	Low	54.4	Low	185 Å²	185	102.8 Å²	102.8	80%	0.804	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.2	-9.1	178.7	-65.7	-173.5	173.4	-172	0	114.7	K105 K106	K105-K108 PolarHBondContact O-N 2.92Å; K106-K108 PolarHBondContact O-N 3.39Å
109	Q	37.9	Very low	54.8	Low	141 Å²	141	98.2 Å²	98.2	66%	0.659	46%	0.46	S	S	*	.	S	Bend	trans	-143.7	129.2	-175.6	-71.6	178.9	0.6	0	0	112.5	K106 H111	K106-Q109 PolarHBondContact O-N 3.08Å; Q109-H111 VanDerWaalsContact C-N 3.26Å; Q109-H111 PolarHBondContact O-N 2.83Å
110	N	44.3	Very low	55.7	Low	173 Å²	173	100.4 Å²	100.4	93%	0.925	47%	0.471	S	S	*	.			trans	-65.2	82.5	168.4	-76.7	-25.4	0	0	0	109.7	V112	N110-V112 PolarHBondContact O-N 3.46Å
111	H	43.9	Very low	56.2	Low	99 Å²	99	99.8 Å²	99.8	46%	0.458	47%	0.465	S	S	.	.			trans	-75.9	99.6	-175.1	-152.2	-62.3	0	0	0	110.2	Q109	Q109-H111 VanDerWaalsContact C-N 3.26Å; Q109-H111 PolarHBondContact O-N 2.83Å
112	V	47.5	Very low	56.7	Low	93 Å²	93	93 Å²	93	56%	0.564	44%	0.443	S	S	*	.			trans	-61.9	140.2	161.2	-179.4	0	0	0	0	108	N110	N110-V112 PolarHBondContact O-N 3.46Å
113	D	53.8	Low	58	Low	25 Å²	25	90.9 Å²	90.9	13%	0.134	44%	0.436	C	S	.	.			trans	-60.6	127.5	177.5	-170.1	-15.2	0	0	0	110.4	R60 L61 S115 S116 N117	R60-D113 WeakPolarHBondContact CA-OD2 3.36Å; R60-D113 WeakPolarHBondContact CG-OD2 3.28Å; R60-D113 IonicContact NE-OD1 3.89Å; L61-D113 PolarHBondContact N-OD2 2.96Å; D113-S115 PolarHBondContact O-N 2.83Å; D113-S115 VanDerWaalsContact O-N 3.13Å; D113-S115 PolarHBondContact OD1-N 2.85Å; D113-S115 PolarHBondContact OD1-OG 2.82Å; D113-S115 PolarHBondContact OD2-OG 2.87Å; D113-S116 VanDerWaalsContact O-CB 3.26Å; D113-S116 WeakPolarHBondContact O-CB 3.39Å; D113-S116 PolarHBondContact O-N 3.39Å; D113-S116 VanDerWaalsContact O-N 3.09Å; D113-N117 PolarHBondContact O-N 3.03Å
114	P	51.5	Low	59.4	Low	62 Å²	62	92 Å²	92	40%	0.403	44%	0.44	S	S	.	.	H	α-helix	trans	-51.6	-33.5	176.4	-28.4	34.7	0	0	0	114.3	N117 N118	P114-N117 WeakPolarHBondContact O-CB 3.39Å; P114-N117 PolarHBondContact O-N 3.27Å; P114-N118 PolarHBondContact O-N 3.02Å; P114-N118 PolarHBondContact O-OD1 3.09Å
115	S	56.4	Low	60.4	Low	12 Å²	12	87.3 Å²	87.3	8%	0.084	42%	0.424	C	S	.	.	H	α-helix	trans	-71.7	-39.2	178.4	59.3	0	0	0	0	112.8	L61 D113 N117 N118 L119	L61-S115 WeakPolarHBondContact CB-OG 3.42Å; L61-S115 VanDerWaalsContact O-CB 3.23Å; L61-S115 WeakPolarHBondContact O-CB 3.35Å; L61-S115 PolarHBondContact O-OG 2.7Å; D113-S115 PolarHBondContact O-N 2.83Å; D113-S115 VanDerWaalsContact O-N 3.13Å; D113-S115 PolarHBondContact OD1-N 2.85Å; D113-S115 PolarHBondContact OD1-OG 2.82Å; D113-S115 PolarHBondContact OD2-OG 2.87Å; S115-N117 PolarHBondContact O-N 3.48Å; S115-N118 PolarHBondContact O-N 3.27Å; S115-L119 PolarHBondContact O-N 3.49Å
116	S	55.1	Low	61.7	Low	30 Å²	30	82.5 Å²	82.5	21%	0.21	40%	0.401	C	S	.	.	H	α-helix	trans	-58	-44.4	169.3	-166.1	0	0	0	0	110.4	L61 D113 N118 L119 F120	L61-S116 WeakPolarHBondContact CD1-OG 3.44Å; D113-S116 VanDerWaalsContact O-CB 3.26Å; D113-S116 WeakPolarHBondContact O-CB 3.39Å; D113-S116 PolarHBondContact O-N 3.39Å; D113-S116 VanDerWaalsContact O-N 3.09Å; S116-N118 PolarHBondContact O-N 3.38Å; S116-L119 PolarHBondContact O-N 3.42Å; S116-F120 WeakPolarHBondContact O-CB 3.34Å; S116-F120 PolarHBondContact O-N 2.81Å
117	N	59.7	Low	63.5	Low	71 Å²	71	82.3 Å²	82.3	38%	0.38	40%	0.403	S	S	.	.	H	α-helix	trans	-60.3	-47	178.9	-155.9	14.9	0	0	0	109.8	D113 P114 S115 L119 F120 Q121	D113-N117 PolarHBondContact O-N 3.03Å; P114-N117 WeakPolarHBondContact O-CB 3.39Å; P114-N117 PolarHBondContact O-N 3.27Å; S115-N117 PolarHBondContact O-N 3.48Å; N117-L119 PolarHBondContact O-N 2.8Å; N117-F120 PolarHBondContact O-N 3.49Å; N117-Q121 WeakPolarHBondContact O-CB 3.32Å; N117-Q121 WeakPolarHBondContact O-CG 3.27Å; N117-Q121 PolarHBondContact O-N 3.08Å; N117-Q121 PolarHBondContact OD1-NE2 3.02Å
118	N	70.8	Confident	65.3	Low	100 Å²	100	76.5 Å²	76.5	54%	0.535	38%	0.384	S	S	.	.	H	α-helix	trans	-58.2	-46.8	178.8	-71.7	-10.4	0	0	0	113.5	P114 S115 S116 Q121 N122	P114-N118 PolarHBondContact O-N 3.02Å; P114-N118 PolarHBondContact O-OD1 3.09Å; S115-N118 PolarHBondContact O-N 3.27Å; S116-N118 PolarHBondContact O-N 3.38Å; N118-Q121 PolarHBondContact O-N 3.49Å; N118-N122 WeakPolarHBondContact O-CB 3.48Å; N118-N122 PolarHBondContact O-N 3.49Å; N118-N122 PolarHBondContact O-ND2 3.48Å; N118-N122 PolarHBondContact O-OD1 2.83Å
119	L	72.3	Confident	66.9	Low	2 Å²	2	71.5 Å²	71.5	1%	0.01	37%	0.366	C	S	.	.	H	α-helix	trans	-62.1	-47.8	177.9	-178.2	57.1	0	0	0	111.2	S115 S116 N117 Q121 N122 V123 N162 P164 L189	S115-L119 PolarHBondContact O-N 3.49Å; S116-L119 PolarHBondContact O-N 3.42Å; N117-L119 PolarHBondContact O-N 2.8Å; L119-Q121 VanDerWaalsContact C-N 3.35Å; L119-Q121 PolarHBondContact O-N 3.02Å; L119-N122 WeakPolarHBondContact O-CB 3.23Å; L119-N122 PolarHBondContact O-N 2.7Å; L119-V123 WeakPolarHBondContact O-CG2 3.39Å; L119-V123 PolarHBondContact O-N 2.81Å; L119-N162 HydrophobicContact CD1-CB 4.39Å; L119-P164 HydrophobicContact CD2-CB 4.14Å; L119-P164 HydrophobicContact CD2-CG 3.95Å; L119-L189 HydrophobicContact CD2-CD1 3.61Å; L119-L189 HydrophobicContact CD2-CD2 4.02Å; L119-L189 HydrophobicContact CD2-CG 4.49Å; L119-L189 HydrophobicContact CG-CD1 4.42Å; L119-L189 HydrophobicContact CG-CD2 3.96Å
120	F	73.4	Confident	69.1	Low	93 Å²	93	65.6 Å²	65.6	41%	0.408	34%	0.339	S	S	.	.	H	α-helix	trans	-61.5	-42.7	177.9	-175	-94.2	0	0	0	112	S116 N117 N122 V123 M124	S116-F120 WeakPolarHBondContact O-CB 3.34Å; S116-F120 PolarHBondContact O-N 2.81Å; N117-F120 PolarHBondContact O-N 3.49Å; F120-N122 VanDerWaalsContact C-N 3.33Å; F120-N122 PolarHBondContact O-N 3.21Å; F120-V123 PolarHBondContact O-N 3.17Å; F120-M124 HydrophobicContact CD1-CG 4Å; F120-M124 HydrophobicContact CE1-CG 3.62Å; F120-M124 HydrophobicContact CE1-SD 4.44Å; F120-M124 HydrophobicContact CE2-CG 4.45Å; F120-M124 HydrophobicContact CZ-CG 3.87Å; F120-M124 HydrophobicContact CZ-SD 4.13Å; F120-M124 VanDerWaalsContact O-CG 3.29Å; F120-M124 WeakPolarHBondContact O-CG 2.91Å; F120-M124 PolarHBondContact O-N 3.49Å
121	Q	75.3	Confident	70.9	Confident	77 Å²	77	63.3 Å²	63.3	36%	0.36	32%	0.323	S	S	.	.	H	α-helix	trans	-61.1	-41.9	175	-69.5	-47.3	-34.3	0	0	111.4	N117 N118 L119 M124 N125	N117-Q121 WeakPolarHBondContact O-CB 3.32Å; N117-Q121 WeakPolarHBondContact O-CG 3.27Å; N117-Q121 PolarHBondContact O-N 3.08Å; N117-Q121 PolarHBondContact OD1-NE2 3.02Å; N118-Q121 PolarHBondContact O-N 3.49Å; L119-Q121 VanDerWaalsContact C-N 3.35Å; L119-Q121 PolarHBondContact O-N 3.02Å; Q121-M124 PolarHBondContact O-N 3.17Å; Q121-N125 VanDerWaalsContact O-CB 3.23Å; Q121-N125 WeakPolarHBondContact O-CB 3.25Å; Q121-N125 PolarHBondContact O-N 3.22Å; Q121-N125 PolarHBondContact O-ND2 3.03Å
122	N	79.1	Confident	72.8	Confident	49 Å²	49	63.5 Å²	63.5	26%	0.262	33%	0.327	S	S	.	.	H	α-helix	trans	-61.9	-46	177.9	-69.2	-22.6	0	0	0	111.7	N118 L119 F120 M124 N125 R126 D159	N118-N122 WeakPolarHBondContact O-CB 3.48Å; N118-N122 PolarHBondContact O-N 3.49Å; N118-N122 PolarHBondContact O-ND2 3.48Å; N118-N122 PolarHBondContact O-OD1 2.83Å; L119-N122 WeakPolarHBondContact O-CB 3.23Å; L119-N122 PolarHBondContact O-N 2.7Å; F120-N122 VanDerWaalsContact C-N 3.33Å; F120-N122 PolarHBondContact O-N 3.21Å; N122-M124 PolarHBondContact O-N 2.85Å; N122-N125 PolarHBondContact O-N 3.12Å; N122-R126 WeakPolarHBondContact O-CG 3.02Å; N122-R126 PolarHBondContact O-N 2.83Å; N122-D159 WeakPolarHBondContact CB-OD2 3.26Å
123	V	81.4	Confident	74.4	Confident	15 Å²	15	60.4 Å²	60.4	9%	0.091	31%	0.307	C	S	.	.	H	α-helix	trans	-56.6	-50.9	174.6	174.7	0	0	0	0	110.4	L119 F120 R126 L127 F156 D159	L119-V123 WeakPolarHBondContact O-CG2 3.39Å; L119-V123 PolarHBondContact O-N 2.81Å; F120-V123 PolarHBondContact O-N 3.17Å; V123-R126 PolarHBondContact O-N 2.58Å; V123-L127 HydrophobicContact CG1-CD1 4.23Å; V123-L127 WeakPolarHBondContact O-CG 3.48Å; V123-L127 PolarHBondContact O-N 3.16Å; V123-F156 HydrophobicContact CG1-CE2 3.92Å; V123-D159 HydrophobicContact CG2-CB 3.75Å
124	M	81.3	Confident	75.5	Confident	72 Å²	72	66.9 Å²	66.9	36%	0.355	33%	0.334	S	S	.	.	H	α-helix	trans	-67.3	-38.6	-177.4	-67	-59.4	-79.5	0	0	113.1	F120 Q121 N122 L127 K128	F120-M124 HydrophobicContact CD1-CG 4Å; F120-M124 HydrophobicContact CE1-CG 3.62Å; F120-M124 HydrophobicContact CE1-SD 4.44Å; F120-M124 HydrophobicContact CE2-CG 4.45Å; F120-M124 HydrophobicContact CZ-CG 3.87Å; F120-M124 HydrophobicContact CZ-SD 4.13Å; F120-M124 VanDerWaalsContact O-CG 3.29Å; F120-M124 WeakPolarHBondContact O-CG 2.91Å; F120-M124 PolarHBondContact O-N 3.49Å; Q121-M124 PolarHBondContact O-N 3.17Å; N122-M124 PolarHBondContact O-N 2.85Å; M124-L127 PolarHBondContact O-N 2.77Å; M124-L127 HydrophobicContact SD-CD1 4.06Å; M124-K128 WeakPolarHBondContact O-CG 3.32Å; M124-K128 PolarHBondContact O-N 3.38Å; M124-K128 VanDerWaalsContact O-N 3.07Å
125	N	82.1	Confident	76.4	Confident	75 Å²	75	74 Å²	74	40%	0.401	36%	0.355	S	S	.	.	H	α-helix	trans	-64.5	-42.3	176.8	-72.9	-21.1	0	0	0	111.2	Q121 N122 K128 L129	Q121-N125 VanDerWaalsContact O-CB 3.23Å; Q121-N125 WeakPolarHBondContact O-CB 3.25Å; Q121-N125 PolarHBondContact O-N 3.22Å; Q121-N125 PolarHBondContact O-ND2 3.03Å; N122-N125 PolarHBondContact O-N 3.12Å; N125-K128 PolarHBondContact O-N 3.42Å; N125-L129 WeakPolarHBondContact O-CG 3.45Å; N125-L129 PolarHBondContact O-N 2.5Å; N125-L129 VanDerWaalsContact O-N 3.1Å
126	R	83.7	Confident	76.7	Confident	55 Å²	55	78.5 Å²	78.5	21%	0.208	37%	0.374	C	S	.	.	H	α-helix	trans	-67.7	-37.5	176.9	-68.8	179.7	-173.3	163.5	21.4	112.2	N122 V123 L129 I130 I152 E155 F156 D159	N122-R126 WeakPolarHBondContact O-CG 3.02Å; N122-R126 PolarHBondContact O-N 2.83Å; V123-R126 PolarHBondContact O-N 2.58Å; R126-L129 PolarHBondContact O-N 2.89Å; R126-I130 WeakPolarHBondContact O-CG1 3.4Å; R126-I130 PolarHBondContact O-N 3.25Å; R126-I152 HydrophobicContact CB-CG2 4.33Å; R126-E155 VanDerWaalsContact NH1-C 3.25Å; R126-E155 PolarHBondContact NH1-O 2.93Å; R126-F156 HydrophobicContact CB-CB 4.08Å; R126-F156 HydrophobicContact CB-CD2 4.32Å; R126-D159 WeakPolarHBondContact CD-OD2 3.31Å; R126-D159 IonicContact CZ-OD1 3.35Å; R126-D159 IonicContact CZ-OD2 2.81Å; R126-D159 IonicContact NE-OD2 3.19Å; R126-D159 PolarHBondContact NE-OD2 3.26Å; R126-D159 IonicContact NH1-OD1 2.68Å; R126-D159 PolarHBondContact NH1-OD1 2.96Å; R126-D159 IonicContact NH1-OD2 2.76Å; R126-D159 PolarHBondContact NH1-OD2 3.31Å; R126-D159 IonicContact NH2-OD1 3.5Å; R126-D159 IonicContact NH2-OD2 3.32Å; R126-D159 PolarHBondContact NH2-OD2 2.95Å
127	L	84.4	Confident	77.1	Confident	57 Å²	57	84.8 Å²	84.8	30%	0.298	41%	0.405	S	S	.	.	H	α-helix	trans	-58.3	-48	172.6	-78	172.7	0	0	0	112.3	V123 M124 L129 I130 Q131 F156	V123-L127 HydrophobicContact CG1-CD1 4.23Å; V123-L127 WeakPolarHBondContact O-CG 3.48Å; V123-L127 PolarHBondContact O-N 3.16Å; M124-L127 PolarHBondContact O-N 2.77Å; M124-L127 HydrophobicContact SD-CD1 4.06Å; L127-L129 VanDerWaalsContact C-N 3.34Å; L127-L129 PolarHBondContact O-N 3.06Å; L127-I130 PolarHBondContact O-N 2.81Å; L127-Q131 WeakPolarHBondContact O-CG 3.49Å; L127-Q131 PolarHBondContact O-N 3.13Å; L127-F156 HydrophobicContact CD1-CE2 3.88Å; L127-F156 HydrophobicContact CD2-CD2 3.81Å; L127-F156 HydrophobicContact CD2-CE1 4.26Å; L127-F156 HydrophobicContact CD2-CE2 3.23Å; L127-F156 HydrophobicContact CD2-CZ 3.5Å; L127-F156 VanDerWaalsContact CD2-CZ 3.5Å; L127-F156 HydrophobicContact CG-CD2 3.8Å; L127-F156 HydrophobicContact CG-CE2 3.32Å; L127-F156 HydrophobicContact CG-CZ 4.08Å
128	K	86.3	Confident	77.4	Confident	120 Å²	120	88 Å²	88	52%	0.522	42%	0.418	S	S	.	.	H	α-helix	trans	-59.3	-43.5	176.7	-71.8	174.1	-178.7	177.1	0	111.9	M124 N125 I130 Q131 N132	M124-K128 WeakPolarHBondContact O-CG 3.32Å; M124-K128 PolarHBondContact O-N 3.38Å; M124-K128 VanDerWaalsContact O-N 3.07Å; N125-K128 PolarHBondContact O-N 3.42Å; K128-I130 VanDerWaalsContact C-N 3.35Å; K128-I130 PolarHBondContact O-N 3.08Å; K128-Q131 PolarHBondContact O-N 3.5Å; K128-N132 VanDerWaalsContact O-CG 3.28Å; K128-N132 PolarHBondContact O-N 3.26Å; K128-N132 PolarHBondContact O-OD1 3.13Å
129	L	84.5	Confident	77.1	Confident	80 Å²	80	90 Å²	90	42%	0.419	43%	0.427	S	S	.	.	H	α-helix	trans	-62	-40.5	177.5	-70.9	170.1	0	0	0	112.6	N125 R126 L127 L133 I152	N125-L129 WeakPolarHBondContact O-CG 3.45Å; N125-L129 PolarHBondContact O-N 2.5Å; N125-L129 VanDerWaalsContact O-N 3.1Å; R126-L129 PolarHBondContact O-N 2.89Å; L127-L129 VanDerWaalsContact C-N 3.34Å; L127-L129 PolarHBondContact O-N 3.06Å; L129-L133 WeakPolarHBondContact O-CG 3.42Å; L129-L133 PolarHBondContact O-N 2.81Å; L129-L133 VanDerWaalsContact O-N 3.1Å; L129-I152 HydrophobicContact CB-CD1 3.91Å; L129-I152 HydrophobicContact CB-CG2 4.01Å; L129-I152 HydrophobicContact CD1-CD1 4.23Å
130	I	83.6	Confident	76.6	Confident	18 Å²	18	98.5 Å²	98.5	9%	0.092	47%	0.467	C	S	.	.	H	α-helix	trans	-63.1	-43.2	175.9	-70.3	166.4	0	0	0	110.8	R126 L127 K128 K134 L149 I152 L153 F156	R126-I130 WeakPolarHBondContact O-CG1 3.4Å; R126-I130 PolarHBondContact O-N 3.25Å; L127-I130 PolarHBondContact O-N 2.81Å; K128-I130 VanDerWaalsContact C-N 3.35Å; K128-I130 PolarHBondContact O-N 3.08Å; I130-K134 PolarHBondContact O-N 2.98Å; I130-L149 HydrophobicContact CB-CD1 4.44Å; I130-L149 HydrophobicContact CG1-CD1 4.34Å; I130-L149 HydrophobicContact CG2-CD1 4.04Å; I130-I152 HydrophobicContact CD1-CG2 4.26Å; I130-I152 HydrophobicContact CG1-CB 4.42Å; I130-I152 HydrophobicContact CG1-CG2 3.7Å; I130-L153 HydrophobicContact CD1-CD1 4.18Å; I130-F156 HydrophobicContact CD1-CB 3.7Å; I130-F156 HydrophobicContact CD1-CD1 4.29Å; I130-F156 HydrophobicContact CD1-CG 3.93Å
131	Q	83.4	Confident	76.6	Confident	125 Å²	125	98.2 Å²	98.2	58%	0.584	47%	0.469	S	S	*	.	H	α-helix	trans	-62.9	-47.2	178.3	-71	174	1.8	0	0	111.5	L127 K128 L133 K134 Y135	L127-Q131 WeakPolarHBondContact O-CG 3.49Å; L127-Q131 PolarHBondContact O-N 3.13Å; K128-Q131 PolarHBondContact O-N 3.5Å; Q131-L133 VanDerWaalsContact C-N 3.34Å; Q131-L133 PolarHBondContact O-N 3.37Å; Q131-K134 PolarHBondContact O-N 2.92Å; Q131-K134 VanDerWaalsContact O-N 3.13Å; Q131-Y135 PolarHBondContact O-N 2.75Å
132	N	83	Confident	76.7	Confident	102 Å²	102	102.5 Å²	102.5	55%	0.545	48%	0.482	S	S	.	.	H	α-helix	trans	-61.1	-41.7	179.4	-67.5	-4.8	0	0	0	112.1	K128 K134 Y135 E136	K128-N132 VanDerWaalsContact O-CG 3.28Å; K128-N132 PolarHBondContact O-N 3.26Å; K128-N132 PolarHBondContact O-OD1 3.13Å; N132-K134 VanDerWaalsContact C-N 3.25Å; N132-K134 PolarHBondContact O-N 2.74Å; N132-Y135 PolarHBondContact O-N 2.93Å; N132-E136 PolarHBondContact O-N 3.04Å
133	L	80.4	Confident	76.8	Confident	28 Å²	28	106.8 Å²	106.8	15%	0.147	50%	0.502	C	S	.	.	H	α-helix	trans	-67.4	-22.9	178.1	-74.6	175	0	0	0	114	L129 Q131 Q148 L149 I152	L129-L133 WeakPolarHBondContact O-CG 3.42Å; L129-L133 PolarHBondContact O-N 2.81Å; L129-L133 VanDerWaalsContact O-N 3.1Å; Q131-L133 VanDerWaalsContact C-N 3.34Å; Q131-L133 PolarHBondContact O-N 3.37Å; L133-Q148 HydrophobicContact CD1-CB 4.42Å; L133-Q148 HydrophobicContact CD1-CG 3.9Å; L133-L149 HydrophobicContact CB-CD1 4.3Å; L133-L149 HydrophobicContact CD1-CB 4.23Å; L133-L149 HydrophobicContact CD1-CD1 4.4Å; L133-I152 HydrophobicContact CD1-CD1 3.67Å
134	K	76.7	Confident	76.9	Confident	162 Å²	162	113 Å²	113	70%	0.704	53%	0.528	S	S	*	.	H	α-helix	trans	-78.4	-29.3	174	-76	-175	178.2	-173.4	0	112.7	I130 Q131 N132	I130-K134 PolarHBondContact O-N 2.98Å; Q131-K134 PolarHBondContact O-N 2.92Å; Q131-K134 VanDerWaalsContact O-N 3.13Å; N132-K134 VanDerWaalsContact C-N 3.25Å; N132-K134 PolarHBondContact O-N 2.74Å
135	Y	70.5	Confident	76.8	Confident	212 Å²	212	110.9 Å²	110.9	83%	0.831	52%	0.517	S	S	*	.	H	α-helix	trans	-82.7	-26.1	-173.6	-171.9	-103.5	0	0	0	113.5	Q131 N132 D137	Q131-Y135 PolarHBondContact O-N 2.75Å; N132-Y135 PolarHBondContact O-N 2.93Å; Y135-D137 PolarHBondContact O-N 3.34Å
136	E	64.1	Low	77	Confident	106 Å²	106	110.4 Å²	110.4	50%	0.495	52%	0.515	S	S	.	.			trans	-83.3	104.5	-178.3	-66.6	-170.3	176.2	0	0	114.2	N132 H138 K145	N132-E136 PolarHBondContact O-N 3.04Å; E136-H138 PolarHBondContact O-N 2.84Å; E136-K145 PolarHBondContact O-NZ 3.45Å; E136-K145 VanDerWaalsContact OE2-CE 3.27Å; E136-K145 WeakPolarHBondContact OE2-CE 3.5Å; E136-K145 IonicContact OE2-NZ 2.84Å; E136-K145 PolarHBondContact OE2-NZ 2.96Å
137	D	63.8	Low	77.2	Confident	161 Å²	161	115.6 Å²	115.6	86%	0.861	53%	0.534	S	S	*	.			trans	-85.1	20.4	-173	-159.1	26.7	0	0	0	116.6	Y135 L139	Y135-D137 PolarHBondContact O-N 3.34Å; D137-L139 PolarHBondContact O-N 3.48Å; D137-L139 VanDerWaalsContact O-N 3.08Å
138	H	65.1	Low	77.4	Confident	140 Å²	140	116.4 Å²	116.4	65%	0.648	54%	0.536	S	S	*	.			trans	-72.8	107.8	-179.9	-61.3	-64.9	0	0	0	112.7	E136 H140	E136-H138 PolarHBondContact O-N 2.84Å; H138-H140 VanDerWaalsContact C-N 3.3Å; H138-H140 PolarHBondContact O-N 2.98Å
139	L	64.1	Low	77.4	Confident	140 Å²	140	112.7 Å²	112.7	73%	0.733	52%	0.522	S	S	*	.	G	3₁₀ helix	trans	-55.4	-38	-178	-168.6	70.1	0	0	0	113.8	D137 N141 R142	D137-L139 PolarHBondContact O-N 3.48Å; D137-L139 VanDerWaalsContact O-N 3.08Å; L139-N141 PolarHBondContact O-N 3.13Å; L139-R142 PolarHBondContact O-N 2.95Å; L139-R142 VanDerWaalsContact O-N 3.16Å
140	H	61.9	Low	77.7	Confident	182 Å²	182	114.7 Å²	114.7	84%	0.843	52%	0.524	S	S	*	.	G	3₁₀ helix	trans	-66.7	-5.9	-170.1	-162.9	72.4	0	0	0	114.8	H138	H138-H140 VanDerWaalsContact C-N 3.3Å; H138-H140 PolarHBondContact O-N 2.98Å
141	N	73.1	Confident	78	Confident	86 Å²	86	119.4 Å²	119.4	46%	0.46	54%	0.541	S	S	.	.	G	3₁₀ helix	trans	-131.7	19.7	176.3	-92.8	-40.1	0	0	0	114	L139 M143 K144 K145	L139-N141 PolarHBondContact O-N 3.13Å; N141-M143 VanDerWaalsContact C-N 3.31Å; N141-M143 PolarHBondContact O-N 3.37Å; N141-K144 PolarHBondContact O-N 3.31Å; N141-K144 VanDerWaalsContact O-N 3.11Å; N141-K145 WeakPolarHBondContact O-CG 3.47Å; N141-K145 PolarHBondContact O-N 3.09Å
142	R	78.2	Confident	78.2	Confident	167 Å²	167	113.6 Å²	113.6	63%	0.63	51%	0.514	S	S	*	.	H	α-helix	trans	-53.9	-42	-175.2	-169.4	176.8	-177.9	-174.1	0.6	113.4	L139 N146	L139-R142 PolarHBondContact O-N 2.95Å; L139-R142 VanDerWaalsContact O-N 3.16Å; R142-N146 VanDerWaalsContact O-CB 3.3Å; R142-N146 WeakPolarHBondContact O-CB 3.35Å; R142-N146 PolarHBondContact O-N 3.5Å; R142-N146 PolarHBondContact O-ND2 3.44Å
143	M	81.3	Confident	78.5	Confident	139 Å²	139	112.4 Å²	112.4	69%	0.685	51%	0.507	S	S	*	.	H	α-helix	trans	-64.4	-45.2	178	-72.2	-175.5	72.8	0	0	112.8	N141 N146 R147	N141-M143 VanDerWaalsContact C-N 3.31Å; N141-M143 PolarHBondContact O-N 3.37Å; M143-N146 PolarHBondContact O-N 3.47Å; M143-R147 WeakPolarHBondContact O-CG 3.41Å; M143-R147 PolarHBondContact O-N 3.16Å
144	K	82.5	Confident	78.9	Confident	145 Å²	145	118.9 Å²	118.9	63%	0.63	53%	0.529	S	S	*	.	H	α-helix	trans	-65.4	-43.6	178.4	-172.6	177.4	178.7	-179.4	0	110.8	N141 R147 Q148	N141-K144 PolarHBondContact O-N 3.31Å; N141-K144 VanDerWaalsContact O-N 3.11Å; K144-R147 PolarHBondContact O-N 2.88Å; K144-Q148 PolarHBondContact O-N 3.35Å
145	K	80.9	Confident	79.4	Confident	28 Å²	28	114 Å²	114	12%	0.122	51%	0.509	C	S	.	.	H	α-helix	trans	-59.3	-46.3	173.5	-74.4	-177.3	167.9	-172.7	0	112.1	E136 N141 R147 Q148 L149	E136-K145 PolarHBondContact O-NZ 3.45Å; E136-K145 VanDerWaalsContact OE2-CE 3.27Å; E136-K145 WeakPolarHBondContact OE2-CE 3.5Å; E136-K145 IonicContact OE2-NZ 2.84Å; E136-K145 PolarHBondContact OE2-NZ 2.96Å; N141-K145 WeakPolarHBondContact O-CG 3.47Å; N141-K145 PolarHBondContact O-N 3.09Å; K145-R147 VanDerWaalsContact C-N 3.32Å; K145-R147 PolarHBondContact O-N 3.22Å; K145-Q148 PolarHBondContact O-N 2.03Å; K145-Q148 VanDerWaalsContact O-N 3.16Å; K145-L149 WeakPolarHBondContact O-CB 3.44Å; K145-L149 PolarHBondContact O-N 3.46Å
146	N	85.7	Confident	80.2	Confident	65 Å²	65	104.7 Å²	104.7	35%	0.348	47%	0.473	S	S	.	.	H	α-helix	trans	-61.2	-39.2	177.1	-76.7	-14.1	0	0	0	112.5	R142 M143 R150	R142-N146 VanDerWaalsContact O-CB 3.3Å; R142-N146 WeakPolarHBondContact O-CB 3.35Å; R142-N146 PolarHBondContact O-N 3.5Å; R142-N146 PolarHBondContact O-ND2 3.44Å; M143-N146 PolarHBondContact O-N 3.47Å; N146-R150 WeakPolarHBondContact O-CB 3.43Å; N146-R150 WeakPolarHBondContact O-CG 3.34Å; N146-R150 PolarHBondContact O-N 3.05Å
147	R	88.2	Confident	81.2	Confident	164 Å²	164	102.4 Å²	102.4	62%	0.619	46%	0.464	S	S	*	.	H	α-helix	trans	-64.1	-45	173.9	-71.5	177.3	-174	175.1	2.8	111.3	M143 K144 K145 R150 R151	M143-R147 WeakPolarHBondContact O-CG 3.41Å; M143-R147 PolarHBondContact O-N 3.16Å; K144-R147 PolarHBondContact O-N 2.88Å; K145-R147 VanDerWaalsContact C-N 3.32Å; K145-R147 PolarHBondContact O-N 3.22Å; R147-R150 PolarHBondContact O-N 3.06Å; R147-R151 PolarHBondContact O-N 2.77Å
148	Q	87.1	Confident	82.3	Confident	74 Å²	74	99.9 Å²	99.9	35%	0.346	45%	0.45	S	S	.	.	H	α-helix	trans	-64	-45.9	177.9	-174.3	178.4	-9.3	0	0	112	L133 K144 K145 R150 R151 I152	L133-Q148 HydrophobicContact CD1-CB 4.42Å; L133-Q148 HydrophobicContact CD1-CG 3.9Å; K144-Q148 PolarHBondContact O-N 3.35Å; K145-Q148 PolarHBondContact O-N 2.03Å; K145-Q148 VanDerWaalsContact O-N 3.16Å; Q148-R150 PolarHBondContact O-N 3.4Å; Q148-R151 WeakPolarHBondContact O-CB 3.36Å; Q148-R151 PolarHBondContact O-N 3.46Å; Q148-R151 VanDerWaalsContact O-N 3.12Å; Q148-I152 HydrophobicContact CG-CD1 4.01Å; Q148-I152 HydrophobicContact CG-CG1 4.49Å; Q148-I152 WeakPolarHBondContact O-CG1 3.31Å; Q148-I152 PolarHBondContact O-N 3.4Å
149	L	87.8	Confident	83.2	Confident	43 Å²	43	93.8 Å²	93.8	23%	0.225	42%	0.422	C	S	.	.	H	α-helix	trans	-59.6	-45.9	177.1	178.1	65.2	0	0	0	111.1	I130 L133 K145 R151 I152 L153	I130-L149 HydrophobicContact CB-CD1 4.44Å; I130-L149 HydrophobicContact CG1-CD1 4.34Å; I130-L149 HydrophobicContact CG2-CD1 4.04Å; L133-L149 HydrophobicContact CB-CD1 4.3Å; L133-L149 HydrophobicContact CD1-CB 4.23Å; L133-L149 HydrophobicContact CD1-CD1 4.4Å; K145-L149 WeakPolarHBondContact O-CB 3.44Å; K145-L149 PolarHBondContact O-N 3.46Å; L149-R151 VanDerWaalsContact C-N 3.29Å; L149-R151 PolarHBondContact O-N 3.49Å; L149-I152 PolarHBondContact O-N 3.04Å; L149-L153 VanDerWaalsContact O-CB 3.24Å; L149-L153 WeakPolarHBondContact O-CB 3.14Å; L149-L153 PolarHBondContact O-N 2.8Å
150	R	89.5	Confident	84.2	Confident	122 Å²	122	89.8 Å²	89.8	46%	0.46	40%	0.398	S	S	.	.	H	α-helix	trans	-59.7	-39.3	175	-76.7	-170.9	-64.3	-98.2	5.8	112.3	N146 R147 Q148 R154	N146-R150 WeakPolarHBondContact O-CB 3.43Å; N146-R150 WeakPolarHBondContact O-CG 3.34Å; N146-R150 PolarHBondContact O-N 3.05Å; R147-R150 PolarHBondContact O-N 3.06Å; Q148-R150 PolarHBondContact O-N 3.4Å; R150-R154 VanDerWaalsContact O-CG 3.28Å; R150-R154 WeakPolarHBondContact O-CG 3.5Å; R150-R154 PolarHBondContact O-N 3.34Å; R150-R154 VanDerWaalsContact O-N 3.1Å
151	R	90.3	Very high	85.4	Confident	117 Å²	117	84.5 Å²	84.5	44%	0.442	38%	0.376	S	S	.	.	H	α-helix	trans	-63.2	-52.3	176.4	-175.8	-175.6	61.5	73.6	-1.8	111.1	R147 Q148 L149 L153 R154 E155	R147-R151 PolarHBondContact O-N 2.77Å; Q148-R151 WeakPolarHBondContact O-CB 3.36Å; Q148-R151 PolarHBondContact O-N 3.46Å; Q148-R151 VanDerWaalsContact O-N 3.12Å; L149-R151 VanDerWaalsContact C-N 3.29Å; L149-R151 PolarHBondContact O-N 3.49Å; R151-L153 VanDerWaalsContact C-N 3.31Å; R151-L153 PolarHBondContact O-N 3.25Å; R151-R154 PolarHBondContact O-N 2.92Å; R151-E155 WeakPolarHBondContact CG-OE1 3.4Å; R151-E155 IonicContact CZ-OE1 3.82Å; R151-E155 IonicContact NH1-OE1 2.71Å; R151-E155 PolarHBondContact NH1-OE1 2.77Å; R151-E155 IonicContact NH1-OE2 3.03Å; R151-E155 PolarHBondContact NH1-OE2 3.32Å; R151-E155 WeakPolarHBondContact O-CG 3.03Å; R151-E155 PolarHBondContact O-N 3.28Å
152	I	87.7	Confident	86	Confident	2 Å²	2	82.5 Å²	82.5	1%	0.01	37%	0.365	C	S	.	.	H	α-helix	trans	-66	-35.4	-178.4	-60.3	178.1	0	0	0	111.1	R126 L129 I130 L133 Q148 L149 E155 F156	R126-I152 HydrophobicContact CB-CG2 4.33Å; L129-I152 HydrophobicContact CB-CD1 3.91Å; L129-I152 HydrophobicContact CB-CG2 4.01Å; L129-I152 HydrophobicContact CD1-CD1 4.23Å; I130-I152 HydrophobicContact CD1-CG2 4.26Å; I130-I152 HydrophobicContact CG1-CB 4.42Å; I130-I152 HydrophobicContact CG1-CG2 3.7Å; L133-I152 HydrophobicContact CD1-CD1 3.67Å; Q148-I152 HydrophobicContact CG-CD1 4.01Å; Q148-I152 HydrophobicContact CG-CG1 4.49Å; Q148-I152 WeakPolarHBondContact O-CG1 3.31Å; Q148-I152 PolarHBondContact O-N 3.4Å; L149-I152 PolarHBondContact O-N 3.04Å; I152-E155 WeakPolarHBondContact O-CB 3.26Å; I152-E155 PolarHBondContact O-N 3.39Å; I152-F156 WeakPolarHBondContact O-CB 3.34Å; I152-F156 PolarHBondContact O-N 2.76Å
153	L	88.6	Confident	86.6	Confident	77 Å²	77	75 Å²	75	40%	0.403	34%	0.338	S	S	.	.	H	α-helix	trans	-63.5	-44.3	175.2	-177.6	62.1	0	0	0	111.8	I130 L149 R151 E155 F156 L157	I130-L153 HydrophobicContact CD1-CD1 4.18Å; L149-L153 VanDerWaalsContact O-CB 3.24Å; L149-L153 WeakPolarHBondContact O-CB 3.14Å; L149-L153 PolarHBondContact O-N 2.8Å; R151-L153 VanDerWaalsContact C-N 3.31Å; R151-L153 PolarHBondContact O-N 3.25Å; L153-E155 VanDerWaalsContact C-N 3.31Å; L153-E155 PolarHBondContact O-N 3.2Å; L153-F156 HydrophobicContact CD1-CD1 4.41Å; L153-F156 PolarHBondContact O-N 3.19Å; L153-L157 HydrophobicContact CD1-CG 4.48Å; L153-L157 HydrophobicContact CG-CD1 4.33Å; L153-L157 WeakPolarHBondContact O-CG 3.46Å; L153-L157 PolarHBondContact O-N 2.7Å
154	R	89.4	Confident	86.8	Confident	165 Å²	165	68.6 Å²	68.6	62%	0.623	31%	0.307	S	S	*	.	H	α-helix	trans	-60.3	-43.2	174	-71.8	170	-172.4	160.7	-1.4	111.4	R150 R151 L157 N158	R150-R154 VanDerWaalsContact O-CG 3.28Å; R150-R154 WeakPolarHBondContact O-CG 3.5Å; R150-R154 PolarHBondContact O-N 3.34Å; R150-R154 VanDerWaalsContact O-N 3.1Å; R151-R154 PolarHBondContact O-N 2.92Å; R154-L157 PolarHBondContact O-N 3.22Å; R154-N158 WeakPolarHBondContact O-CB 3.02Å; R154-N158 PolarHBondContact O-N 3.23Å; R154-N158 PolarHBondContact O-ND2 3.39Å
155	E	87.5	Confident	87	Confident	60 Å²	60	61.8 Å²	61.8	28%	0.28	28%	0.278	S	S	.	.	H	α-helix	trans	-62.6	-45.3	175.6	-74.8	170	-164.6	0	0	111.6	R126 R151 I152 L153 L157 N158 D159	R126-E155 VanDerWaalsContact NH1-C 3.25Å; R126-E155 PolarHBondContact NH1-O 2.93Å; R151-E155 WeakPolarHBondContact CG-OE1 3.4Å; R151-E155 IonicContact CZ-OE1 3.82Å; R151-E155 IonicContact NH1-OE1 2.71Å; R151-E155 PolarHBondContact NH1-OE1 2.77Å; R151-E155 IonicContact NH1-OE2 3.03Å; R151-E155 PolarHBondContact NH1-OE2 3.32Å; R151-E155 WeakPolarHBondContact O-CG 3.03Å; R151-E155 PolarHBondContact O-N 3.28Å; I152-E155 WeakPolarHBondContact O-CB 3.26Å; I152-E155 PolarHBondContact O-N 3.39Å; L153-E155 VanDerWaalsContact C-N 3.31Å; L153-E155 PolarHBondContact O-N 3.2Å; E155-L157 PolarHBondContact O-N 3.04Å; E155-N158 WeakPolarHBondContact O-CB 3.4Å; E155-N158 PolarHBondContact O-N 2.04Å; E155-D159 PolarHBondContact O-N 3.4Å
156	F	86.8	Confident	87.3	Confident	15 Å²	15	62.1 Å²	62.1	7%	0.066	28%	0.278	C	S	.	.	H	α-helix	trans	-58.6	-48.7	176.2	169.3	-101.4	0	0	0	111.4	V123 R126 L127 I130 I152 L153 N158 D159 Y160	V123-F156 HydrophobicContact CG1-CE2 3.92Å; R126-F156 HydrophobicContact CB-CB 4.08Å; R126-F156 HydrophobicContact CB-CD2 4.32Å; L127-F156 HydrophobicContact CD1-CE2 3.88Å; L127-F156 HydrophobicContact CD2-CD2 3.81Å; L127-F156 HydrophobicContact CD2-CE1 4.26Å; L127-F156 HydrophobicContact CD2-CE2 3.23Å; L127-F156 HydrophobicContact CD2-CZ 3.5Å; L127-F156 VanDerWaalsContact CD2-CZ 3.5Å; L127-F156 HydrophobicContact CG-CD2 3.8Å; L127-F156 HydrophobicContact CG-CE2 3.32Å; L127-F156 HydrophobicContact CG-CZ 4.08Å; I130-F156 HydrophobicContact CD1-CB 3.7Å; I130-F156 HydrophobicContact CD1-CD1 4.29Å; I130-F156 HydrophobicContact CD1-CG 3.93Å; I152-F156 WeakPolarHBondContact O-CB 3.34Å; I152-F156 PolarHBondContact O-N 2.76Å; L153-F156 HydrophobicContact CD1-CD1 4.41Å; L153-F156 PolarHBondContact O-N 3.19Å; F156-N158 VanDerWaalsContact C-N 3.28Å; F156-N158 PolarHBondContact O-N 2.68Å; F156-D159 PolarHBondContact O-N 3.33Å; F156-Y160 HydrophobicContact CE2-CD2 4.38Å; F156-Y160 AromaticContact CZ-CD2 3.93Å; F156-Y160 HydrophobicContact CZ-CD2 3.93Å; F156-Y160 HydrophobicContact CZ-CG 4.29Å; F156-Y160 VanDerWaalsContact O-CB 3.3Å; F156-Y160 WeakPolarHBondContact O-CB 3.23Å; F156-Y160 PolarHBondContact O-N 2.71Å
157	L	86.6	Confident	87.5	Confident	59 Å²	59	59.8 Å²	59.8	31%	0.309	27%	0.265	S	S	.	.	H	α-helix	trans	-60.8	-38.4	177.4	-70	172.7	0	0	0	111.9	L153 R154 E155 Y160 N161	L153-L157 HydrophobicContact CD1-CG 4.48Å; L153-L157 HydrophobicContact CG-CD1 4.33Å; L153-L157 WeakPolarHBondContact O-CG 3.46Å; L153-L157 PolarHBondContact O-N 2.7Å; R154-L157 PolarHBondContact O-N 3.22Å; E155-L157 PolarHBondContact O-N 3.04Å; L157-Y160 PolarHBondContact O-N 3.25Å; L157-N161 VanDerWaalsContact O-CB 3.27Å; L157-N161 WeakPolarHBondContact O-CB 3Å; L157-N161 PolarHBondContact O-N 3.19Å; L157-N161 PolarHBondContact O-OD1 3.02Å
158	N	86.8	Confident	87.6	Confident	107 Å²	107	52.5 Å²	52.5	57%	0.572	24%	0.238	S	C	*	.	H	α-helix	trans	-64.1	-41	175.9	-71.4	-21.9	0	0	0	112.6	R154 E155 F156 N162	R154-N158 WeakPolarHBondContact O-CB 3.02Å; R154-N158 PolarHBondContact O-N 3.23Å; R154-N158 PolarHBondContact O-ND2 3.39Å; E155-N158 WeakPolarHBondContact O-CB 3.4Å; E155-N158 PolarHBondContact O-N 2.04Å; F156-N158 VanDerWaalsContact C-N 3.28Å; F156-N158 PolarHBondContact O-N 2.68Å; N158-N162 WeakPolarHBondContact O-CB 3.49Å; N158-N162 PolarHBondContact O-N 3.25Å
159	D	84	Confident	87.8	Confident	12 Å²	12	50.1 Å²	50.1	6%	0.064	23%	0.226	C	C	.	.	H	α-helix	trans	-71	-38.3	176.3	-76.6	-4.6	0	0	0	111.9	N122 V123 R126 E155 F156 N162	N122-D159 WeakPolarHBondContact CB-OD2 3.26Å; V123-D159 HydrophobicContact CG2-CB 3.75Å; R126-D159 WeakPolarHBondContact CD-OD2 3.31Å; R126-D159 IonicContact CZ-OD1 3.35Å; R126-D159 IonicContact CZ-OD2 2.81Å; R126-D159 IonicContact NE-OD2 3.19Å; R126-D159 PolarHBondContact NE-OD2 3.26Å; R126-D159 IonicContact NH1-OD1 2.68Å; R126-D159 PolarHBondContact NH1-OD1 2.96Å; R126-D159 IonicContact NH1-OD2 2.76Å; R126-D159 PolarHBondContact NH1-OD2 3.31Å; R126-D159 IonicContact NH2-OD1 3.5Å; R126-D159 IonicContact NH2-OD2 3.32Å; R126-D159 PolarHBondContact NH2-OD2 2.95Å; E155-D159 PolarHBondContact O-N 3.4Å; F156-D159 PolarHBondContact O-N 3.33Å; D159-N162 VanDerWaalsContact O-CB 3.27Å; D159-N162 WeakPolarHBondContact O-CB 3.3Å; D159-N162 PolarHBondContact O-N 3.37Å
160	Y	83.9	Confident	88	Confident	57 Å²	57	50.2 Å²	50.2	22%	0.224	22%	0.224	C	C	.	.	H	α-helix	trans	-67.8	-40.9	-178.8	-169	-93.4	0	0	0	111.8	F156 L157 N162 S193 C194 L196	F156-Y160 HydrophobicContact CE2-CD2 4.38Å; F156-Y160 AromaticContact CZ-CD2 3.93Å; F156-Y160 HydrophobicContact CZ-CD2 3.93Å; F156-Y160 HydrophobicContact CZ-CG 4.29Å; F156-Y160 VanDerWaalsContact O-CB 3.3Å; F156-Y160 WeakPolarHBondContact O-CB 3.23Å; F156-Y160 PolarHBondContact O-N 2.71Å; L157-Y160 PolarHBondContact O-N 3.25Å; Y160-N162 PolarHBondContact O-N 3.24Å; Y160-S193 VanDerWaalsContact CE1-O 3.26Å; Y160-S193 WeakPolarHBondContact CE1-O 3.27Å; Y160-S193 PolarHBondContact OH-O 3.11Å; Y160-C194 WeakPolarHBondContact CD1-O 3.47Å; Y160-C194 VanDerWaalsContact CE1-C 3.44Å; Y160-L196 HydrophobicContact CD1-CD1 3.58Å; Y160-L196 HydrophobicContact CE1-CD1 3.21Å; Y160-L196 HydrophobicContact CE2-CD1 4.25Å; Y160-L196 HydrophobicContact CG-CD1 4.26Å
161	N	87	Confident	88.2	Confident	71 Å²	71	47.4 Å²	47.4	38%	0.38	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-4.9	175.7	-62	7	0	0	0	112.7	L157 C163 C194	L157-N161 VanDerWaalsContact O-CB 3.27Å; L157-N161 WeakPolarHBondContact O-CB 3Å; L157-N161 PolarHBondContact O-N 3.19Å; L157-N161 PolarHBondContact O-OD1 3.02Å; N161-C163 PolarHBondContact O-N 2.81Å; N161-C194 WeakPolarHBondContact CA-O 2.97Å; N161-C194 PolarHBondContact OD1-O 3.13Å
162	N	86.4	Confident	88.3	Confident	43 Å²	43	43.2 Å²	43.2	23%	0.23	20%	0.204	C	C	.	.			trans	-73.9	122.2	179.5	-168.5	24.7	0	0	0	110.2	F64 L119 N158 D159 Y160 P164	F64-N162 PolarHBondContact O-ND2 3.2Å; F64-N162 VanDerWaalsContact O-ND2 3.16Å; L119-N162 HydrophobicContact CD1-CB 4.39Å; N158-N162 WeakPolarHBondContact O-CB 3.49Å; N158-N162 PolarHBondContact O-N 3.25Å; D159-N162 VanDerWaalsContact O-CB 3.27Å; D159-N162 WeakPolarHBondContact O-CB 3.3Å; D159-N162 PolarHBondContact O-N 3.37Å; Y160-N162 PolarHBondContact O-N 3.24Å; N162-P164 WeakPolarHBondContact O-CD 3.29Å
163	C	89.7	Confident	88.5	Confident	9 Å²	9	43.8 Å²	43.8	6%	0.061	21%	0.21	C	C	.	.			trans	-101.4	106.2	178.9	-74.4	0	0	0	0	109.9	N161 C202 C239 C241	N161-C163 PolarHBondContact O-N 2.81Å; C163-C202 WeakPolarHBondContact CA-SG 3.42Å; C163-C202 HydrophobicContact CB-CB 3.55Å; C163-C202 WeakPolarHBondContact CB-SG 3.36Å; C163-C202 WeakPolarHBondContact SG-CA 3.29Å; C163-C202 WeakPolarHBondContact SG-CB 3.23Å; C163-C202 CovalentContact SG-SG 2.04Å; C163-C202 PolarHBondContact SG-SG 3.1Å; C163-C239 HydrophobicContact CB-CB 3.7Å; C163-C241 PolarHBondContact SG-N 2.96Å
164	P	86.7	Confident	88.7	Confident	5 Å²	5	43.4 Å²	43.4	3%	0.032	21%	0.212	C	C	.	.	P	Polyproline II helix	trans	-72.1	145.4	-179.4	28.9	-32.3	0	0	0	111.1	L61 L119 N162 V187 L189	L61-P164 HydrophobicContact CD2-CB 4.2Å; L61-P164 HydrophobicContact CD2-CG 4.43Å; L119-P164 HydrophobicContact CD2-CB 4.14Å; L119-P164 HydrophobicContact CD2-CG 3.95Å; N162-P164 WeakPolarHBondContact O-CD 3.29Å; P164-V187 HydrophobicContact CG-CG2 3.94Å; P164-V187 PolarHBondContact O-N 3.47Å; P164-L189 HydrophobicContact CG-CD1 3.51Å
165	L	87.1	Confident	88.9	Confident	3 Å²	3	37.9 Å²	37.9	2%	0.016	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	130.9	175.8	-178.7	65.3	0	0	0	109.3	I62 Y167 V236 T237 C239	I62-L165 PolarHBondContact N-O 3.3Å; L165-Y167 HydrophobicContact CD2-CD2 4.22Å; L165-Y167 HydrophobicContact CD2-CE1 4.12Å; L165-Y167 HydrophobicContact CD2-CE2 3.43Å; L165-Y167 VanDerWaalsContact CD2-CE2 3.43Å; L165-Y167 WeakPolarHBondContact CD2-OH 3.36Å; L165-Y167 HydrophobicContact CG-CD2 4.35Å; L165-Y167 HydrophobicContact CG-CE2 4.03Å; L165-V236 HydrophobicContact CD1-CB 4.31Å; L165-V236 HydrophobicContact CD1-CG1 3.86Å; L165-T237 VanDerWaalsContact CD2-O 3.29Å; L165-T237 WeakPolarHBondContact CD2-O 3.33Å; L165-C239 WeakPolarHBondContact CD1-SG 3.46Å
166	Y	86.6	Confident	89.2	Confident	35 Å²	35	36.3 Å²	36.3	14%	0.137	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	119	176.5	-169.9	-109.3	0	0	0	110.1	R58 G59 R60 L61 I168 G184 Q185	R58-Y166 WeakPolarHBondContact O-CE1 3.49Å; R58-Y166 PolarHBondContact O-OH 3.35Å; G59-Y166 VanDerWaalsContact C-CE2 3.48Å; G59-Y166 VanDerWaalsContact CA-CZ 3.42Å; G59-Y166 WeakPolarHBondContact CA-OH 3.29Å; G59-Y166 PolarHBondContact N-OH 3.45Å; G59-Y166 PolarHBondContact O-OH 2.96Å; G59-Y166 VanDerWaalsContact O-OH 3.12Å; R60-Y166 WeakPolarHBondContact O-CD2 3.34Å; L61-Y166 HydrophobicContact CB-CD2 4.33Å; L61-Y166 HydrophobicContact CD2-CD2 3.57Å; L61-Y166 HydrophobicContact CD2-CG 4.22Å; L61-Y166 HydrophobicContact CG-CD2 3.6Å; L61-Y166 HydrophobicContact CG-CE2 4.13Å; Y166-I168 HydrophobicContact CD1-CB 4.44Å; Y166-I168 HydrophobicContact CE1-CB 4.2Å; Y166-G184 CarbonylContact O-C 3.53Å; Y166-G184 VanDerWaalsContact O-CA 3.3Å; Y166-G184 WeakPolarHBondContact O-CA 3.42Å; Y166-Q185 VanDerWaalsContact CB-O 3.27Å; Y166-Q185 WeakPolarHBondContact CB-O 3.37Å; Y166-Q185 PolarHBondContact N-O 3.33Å; Y166-Q185 PolarHBondContact O-N 2.97Å
167	Y	89.5	Confident	89.6	Confident	15 Å²	15	36.8 Å²	36.8	6%	0.059	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	133.6	173.1	-78.8	-69.7	0	0	0	111.5	F44 G59 R60 I62 L165 K182 T183	F44-Y167 HydrophobicContact CD1-CE1 4.39Å; F44-Y167 AromaticContact CE1-CE1 3.78Å; F44-Y167 HydrophobicContact CE1-CE1 3.78Å; G59-Y167 CarbonylContact C-O 3.57Å; G59-Y167 WeakPolarHBondContact CA-O 3.24Å; R60-Y167 PolarHBondContact N-O 2.68Å; R60-Y167 PolarHBondContact O-N 3.1Å; I62-Y167 HydrophobicContact CD1-CD2 3.35Å; I62-Y167 HydrophobicContact CD1-CE2 3.72Å; I62-Y167 HydrophobicContact CG1-CD2 3.91Å; L165-Y167 HydrophobicContact CD2-CD2 4.22Å; L165-Y167 HydrophobicContact CD2-CE1 4.12Å; L165-Y167 HydrophobicContact CD2-CE2 3.43Å; L165-Y167 VanDerWaalsContact CD2-CE2 3.43Å; L165-Y167 WeakPolarHBondContact CD2-OH 3.36Å; L165-Y167 HydrophobicContact CG-CD2 4.35Å; L165-Y167 HydrophobicContact CG-CE2 4.03Å; Y167-K182 VanDerWaalsContact CB-CE 3.44Å; Y167-K182 HydrophobicContact CD1-CD 4.04Å; Y167-K182 HydrophobicContact CD1-CG 3.83Å; Y167-K182 HydrophobicContact CG-CD 4.25Å; Y167-K182 HydrophobicContact CG-CG 4.27Å; Y167-T183 WeakPolarHBondContact CA-O 3.39Å; Y167-T183 WeakPolarHBondContact CD1-O 3.25Å
168	I	90.2	Very high	90	Very high	11 Å²	11	34 Å²	34	6%	0.056	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	138.7	175.5	179.9	172.7	0	0	0	109.5	R58 Y166 Y170 K182 T183	R58-I168 VanDerWaalsContact O-CD1 3.31Å; R58-I168 WeakPolarHBondContact O-CD1 3.48Å; Y166-I168 HydrophobicContact CD1-CB 4.44Å; Y166-I168 HydrophobicContact CE1-CB 4.2Å; I168-Y170 HydrophobicContact CB-CE2 4.18Å; I168-Y170 HydrophobicContact CD1-CE1 4.23Å; I168-Y170 HydrophobicContact CD1-CE2 4.05Å; I168-Y170 HydrophobicContact CG1-CD2 4.29Å; I168-Y170 HydrophobicContact CG1-CE2 3.98Å; I168-Y170 HydrophobicContact CG2-CD2 4.03Å; I168-Y170 HydrophobicContact CG2-CE2 3.29Å; I168-K182 CarbonylContact O-C 3.42Å; I168-K182 WeakPolarHBondContact O-CA 3.39Å; I168-T183 HydrophobicContact CG2-CG2 3.76Å; I168-T183 PolarHBondContact N-O 2.9Å; I168-T183 PolarHBondContact O-N 2.86Å
169	W	92.4	Very high	90.3	Very high	24 Å²	24	34 Å²	34	9%	0.091	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	130.1	174.5	-76.4	96.5	0	0	0	109.9	P50 E52 A53 W180 I181 K182	P50-W169 HydrophobicContact CB-CZ2 4.26Å; P50-W169 HydrophobicContact CG-CD2 3.38Å; P50-W169 HydrophobicContact CG-CE3 3.63Å; P50-W169 HydrophobicContact CG-CG 3.82Å; P50-W169 HydrophobicContact CG-CH2 4.11Å; P50-W169 HydrophobicContact CG-CZ2 3.89Å; P50-W169 HydrophobicContact CG-CZ3 3.99Å; E52-W169 PolarHBondContact OE2-NE1 2.84Å; A53-W169 HydrophobicContact CB-CB 3.49Å; A53-W169 VanDerWaalsContact CB-CB 3.49Å; A53-W169 HydrophobicContact CB-CG 3.91Å; W169-W180 HydrophobicContact CB-CE3 4.35Å; W169-W180 HydrophobicContact CE3-CB 4.11Å; W169-W180 HydrophobicContact CZ3-CB 4.3Å; W169-I181 WeakPolarHBondContact CA-O 3.26Å; W169-I181 VanDerWaalsContact CE3-C 3.47Å; W169-K182 HydrophobicContact CD2-CB 3.68Å; W169-K182 HydrophobicContact CD2-CD 4.49Å; W169-K182 HydrophobicContact CD2-CG 3.98Å; W169-K182 HydrophobicContact CE3-CB 3.75Å; W169-K182 VanDerWaalsContact CE3-N 3.34Å; W169-K182 HydrophobicContact CG-CB 4.39Å; W169-K182 HydrophobicContact CG-CG 4.3Å; W169-K182 HydrophobicContact CH2-CB 3.84Å; W169-K182 HydrophobicContact CH2-CD 4.48Å; W169-K182 HydrophobicContact CZ2-CB 3.78Å; W169-K182 HydrophobicContact CZ2-CD 3.72Å; W169-K182 HydrophobicContact CZ2-CG 4.07Å; W169-K182 HydrophobicContact CZ3-CB 3.83Å
170	Y	92.5	Very high	90.8	Very high	46 Å²	46	34.8 Å²	34.8	18%	0.18	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	144.4	175.5	-71.4	-89.7	0	0	0	110.9	L4 I7 I168 W180 I181 T183	L4-Y170 PolarHBondContact O-OH 3.25Å; I7-Y170 HydrophobicContact CD1-CD1 4.33Å; I7-Y170 HydrophobicContact CD1-CD2 3.07Å; I7-Y170 HydrophobicContact CD1-CE2 3.57Å; I7-Y170 HydrophobicContact CD1-CG 3.47Å; I7-Y170 VanDerWaalsContact CD1-CG 3.47Å; I7-Y170 HydrophobicContact CG1-CD2 3.76Å; I7-Y170 HydrophobicContact CG1-CE2 3.72Å; I7-Y170 HydrophobicContact CG1-CG 4.19Å; I168-Y170 HydrophobicContact CB-CE2 4.18Å; I168-Y170 HydrophobicContact CD1-CE1 4.23Å; I168-Y170 HydrophobicContact CD1-CE2 4.05Å; I168-Y170 HydrophobicContact CG1-CD2 4.29Å; I168-Y170 HydrophobicContact CG1-CE2 3.98Å; I168-Y170 HydrophobicContact CG2-CD2 4.03Å; I168-Y170 HydrophobicContact CG2-CE2 3.29Å; Y170-W180 VanDerWaalsContact O-CA 3.31Å; Y170-W180 WeakPolarHBondContact O-CA 3.46Å; Y170-I181 PolarHBondContact N-O 2.91Å; Y170-I181 PolarHBondContact O-N 2.94Å; Y170-T183 HydrophobicContact CD2-CG2 3.69Å; Y170-T183 HydrophobicContact CE2-CG2 3.39Å
171	D	93.8	Very high	91.3	Very high	63 Å²	63	32.1 Å²	32.1	34%	0.337	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	109.8	167.8	-177.1	-4.6	0	0	0	108.3	G173 R179 W180	D171-G173 VanDerWaalsContact C-N 3.26Å; D171-G173 WeakPolarHBondContact OD1-CA 3.33Å; D171-G173 PolarHBondContact OD1-N 3.37Å; D171-R179 VanDerWaalsContact CG-NE 3.26Å; D171-R179 WeakPolarHBondContact OD1-CD 3.36Å; D171-R179 WeakPolarHBondContact OD1-CG 3.37Å; D171-R179 IonicContact OD1-CZ 3.57Å; D171-R179 IonicContact OD1-NE 2.7Å; D171-R179 PolarHBondContact OD1-NE 3.03Å; D171-R179 IonicContact OD1-NH2 3.58Å; D171-R179 IonicContact OD2-CZ 3.26Å; D171-R179 VanDerWaalsContact OD2-CZ 3.26Å; D171-R179 IonicContact OD2-NE 3.1Å; D171-R179 PolarHBondContact OD2-NE 2.77Å; D171-R179 VanDerWaalsContact OD2-NE 3.1Å; D171-R179 IonicContact OD2-NH2 2.68Å; D171-R179 PolarHBondContact OD2-NH2 3.29Å; D171-W180 HydrophobicContact CB-CD2 4.27Å; D171-W180 HydrophobicContact CB-CE3 4.23Å; D171-W180 HydrophobicContact CB-CH2 3.75Å; D171-W180 HydrophobicContact CB-CZ2 3.79Å; D171-W180 HydrophobicContact CB-CZ3 3.98Å
172	L	92	Very high	91.6	Very high	29 Å²	29	29.6 Å²	29.6	15%	0.152	14%	0.141	C	C	.	.			trans	-79.1	-12.1	178.1	-62	-175.1	0	0	0	112.7	I7 I11 F176 R179 I181 I212 L233	I7-L172 HydrophobicContact CG2-CD2 3.7Å; I11-L172 HydrophobicContact CD1-CD1 4.37Å; I11-L172 HydrophobicContact CD1-CD2 4.28Å; L172-F176 HydrophobicContact CB-CB 3.62Å; L172-F176 HydrophobicContact CB-CD1 4.43Å; L172-F176 HydrophobicContact CB-CD2 3.67Å; L172-F176 HydrophobicContact CB-CE2 4.42Å; L172-F176 HydrophobicContact CB-CG 3.66Å; L172-F176 HydrophobicContact CD1-CB 4.05Å; L172-F176 HydrophobicContact CD1-CD1 4.04Å; L172-F176 HydrophobicContact CD1-CG 4.02Å; L172-F176 HydrophobicContact CG-CG 4.49Å; L172-F176 WeakPolarHBondContact O-CD2 3.4Å; L172-R179 PolarHBondContact N-O 3.2Å; L172-I181 HydrophobicContact CD1-CB 4.3Å; L172-I181 HydrophobicContact CD1-CG1 3.52Å; L172-I181 HydrophobicContact CG-CG1 4.11Å; L172-I212 HydrophobicContact CD1-CD1 3.69Å; L172-L233 HydrophobicContact CD1-CD1 4.35Å
173	G	91.7	Very high	91.8	Very high	13 Å²	13	28.2 Å²	28.2	13%	0.134	13%	0.134	C	C	.	.			trans	87.9	-178.7	-178.1	0	0	0	0	0	114.3	D171 K175 F176	D171-G173 VanDerWaalsContact C-N 3.26Å; D171-G173 WeakPolarHBondContact OD1-CA 3.33Å; D171-G173 PolarHBondContact OD1-N 3.37Å; G173-K175 VanDerWaalsContact C-N 3.32Å; G173-K175 PolarHBondContact O-N 3.1Å; G173-F176 PolarHBondContact O-N 3.48Å
174	P	92.1	Very high	91.8	Very high	70 Å²	70	28 Å²	28	46%	0.455	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-20	-167.4	30	-37	0	0	0	114.2	F20 F176	F20-P174 HydrophobicContact CD1-CB 3.69Å; F20-P174 HydrophobicContact CD1-CG 4.14Å; F20-P174 HydrophobicContact CE1-CB 3.86Å; F20-P174 WeakPolarHBondContact CE2-O 3.27Å; F20-P174 HydrophobicContact CG-CB 4.31Å; F20-P174 HydrophobicContact CG-CG 4.46Å; F20-P174 WeakPolarHBondContact CZ-O 3.29Å; P174-F176 PolarHBondContact O-N 3.03Å
175	K	93	Very high	91.9	Very high	48 Å²	48	29.6 Å²	29.6	21%	0.209	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-7.7	174.2	-67.9	-174.9	176.1	-169.1	0	113.1	E17 R18 F20 G173 R214 Y215 W228	E17-K175 VanDerWaalsContact CB-NZ 3.3Å; E17-K175 IonicContact OE2-NZ 2.76Å; E17-K175 PolarHBondContact OE2-NZ 3.43Å; R18-K175 PolarHBondContact O-NZ 2.95Å; F20-K175 HydrophobicContact CB-CG 3.82Å; F20-K175 HydrophobicContact CD2-CG 3.91Å; F20-K175 HydrophobicContact CG-CG 4.13Å; G173-K175 VanDerWaalsContact C-N 3.32Å; G173-K175 PolarHBondContact O-N 3.1Å; K175-R214 CarbonylContact O-C 3.56Å; K175-R214 WeakPolarHBondContact O-CA 3.01Å; K175-Y215 PolarHBondContact O-N 3.4Å; K175-W228 VanDerWaalsContact O-CZ3 3.31Å; K175-W228 WeakPolarHBondContact O-CZ3 3Å
176	F	94.6	Very high	92.1	Very high	27 Å²	27	30.1 Å²	30.1	12%	0.118	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	145.1	-179.6	-64.8	-91.3	0	0	0	110.6	I11 L172 G173 P174 I212 L213 R214	I11-F176 HydrophobicContact CD1-CE1 3.88Å; I11-F176 HydrophobicContact CD1-CZ 4.16Å; I11-F176 HydrophobicContact CG2-CE1 3.86Å; I11-F176 HydrophobicContact CG2-CZ 3.77Å; L172-F176 HydrophobicContact CB-CB 3.62Å; L172-F176 HydrophobicContact CB-CD1 4.43Å; L172-F176 HydrophobicContact CB-CD2 3.67Å; L172-F176 HydrophobicContact CB-CE2 4.42Å; L172-F176 HydrophobicContact CB-CG 3.66Å; L172-F176 HydrophobicContact CD1-CB 4.05Å; L172-F176 HydrophobicContact CD1-CD1 4.04Å; L172-F176 HydrophobicContact CD1-CG 4.02Å; L172-F176 HydrophobicContact CG-CG 4.49Å; L172-F176 WeakPolarHBondContact O-CD2 3.4Å; G173-F176 PolarHBondContact O-N 3.48Å; P174-F176 PolarHBondContact O-N 3.03Å; F176-I212 HydrophobicContact CD1-CD1 3.74Å; F176-I212 HydrophobicContact CE1-CD1 4.34Å; F176-L213 CarbonylContact C-O 3.58Å; F176-L213 VanDerWaalsContact CA-O 3.29Å; F176-L213 WeakPolarHBondContact CA-O 3.33Å; F176-R214 HydrophobicContact CD1-CB 3.91Å; F176-R214 HydrophobicContact CD1-CG 3.99Å; F176-R214 HydrophobicContact CE1-CB 3.84Å; F176-R214 HydrophobicContact CE1-CG 3.58Å; F176-R214 HydrophobicContact CZ-CG 3.96Å
177	W	94.7	Very high	92.1	Very high	26 Å²	26	30.4 Å²	30.4	10%	0.098	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	124.9	177.7	-166	101.6	0	0	0	110.6	Y28 M31 I32 L35 F47 L213 W228	Y28-W177 HydrophobicContact CD2-CZ2 4.35Å; M31-W177 HydrophobicContact CB-CD2 3.74Å; M31-W177 HydrophobicContact CB-CE3 3.91Å; M31-W177 HydrophobicContact CB-CH2 3.4Å; M31-W177 VanDerWaalsContact CB-CH2 3.4Å; M31-W177 HydrophobicContact CB-CZ2 3.22Å; M31-W177 HydrophobicContact CB-CZ3 3.75Å; M31-W177 HydrophobicContact CE-CB 3.29Å; M31-W177 HydrophobicContact CE-CD2 3.56Å; M31-W177 HydrophobicContact CE-CE3 4.08Å; M31-W177 HydrophobicContact CE-CG 3.2Å; M31-W177 HydrophobicContact CG-CD2 4.22Å; M31-W177 HydrophobicContact CG-CZ2 4.14Å; M31-W177 WeakPolarHBondContact O-CZ3 3.18Å; I32-W177 HydrophobicContact CB-CH2 4.39Å; I32-W177 HydrophobicContact CD1-CH2 3.6Å; I32-W177 HydrophobicContact CD1-CZ3 4.26Å; I32-W177 HydrophobicContact CG1-CH2 3.74Å; L35-W177 HydrophobicContact CB-CZ3 4.07Å; L35-W177 HydrophobicContact CD2-CE3 4.35Å; L35-W177 HydrophobicContact CD2-CZ3 3.83Å; F47-W177 AromaticContact CD1-CE2 3.89Å; F47-W177 HydrophobicContact CD1-CH2 4.33Å; F47-W177 AromaticContact CD1-CZ2 3.71Å; F47-W177 HydrophobicContact CD1-CZ2 3.71Å; F47-W177 HydrophobicContact CE1-CD2 4.47Å; F47-W177 AromaticContact CE1-CE2 3.79Å; F47-W177 AromaticContact CE1-CH2 3.43Å; F47-W177 HydrophobicContact CE1-CH2 3.43Å; F47-W177 VanDerWaalsContact CE1-CH2 3.43Å; F47-W177 AromaticContact CE1-CZ2 3.22Å; F47-W177 HydrophobicContact CE1-CZ2 3.22Å; F47-W177 HydrophobicContact CE1-CZ3 4.13Å; F47-W177 HydrophobicContact CZ-CH2 4.16Å; F47-W177 HydrophobicContact CZ-CZ2 4.2Å; W177-L213 HydrophobicContact CB-CB 4.24Å; W177-L213 HydrophobicContact CE3-CD1 3.89Å; W177-L213 HydrophobicContact CZ3-CD1 4.43Å; W177-L213 PolarHBondContact N-O 3.01Å; W177-L213 WeakPolarHBondContact O-CA 3.38Å; W177-L213 WeakPolarHBondContact O-CB 3.38Å; W177-L213 PolarHBondContact O-N 2.69Å; W177-W228 HydrophobicContact CB-CH2 4.14Å; W177-W228 HydrophobicContact CB-CZ3 3.89Å
178	P	95.1	Very high	91.8	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.158	C	C	.	.	S	Bend	cis	-63.3	152.2	-4.9	-19.5	34.2	0	0	0	112.5	F40 M45 S46 F47	F40-P178 HydrophobicContact CD2-CG 3.65Å; F40-P178 HydrophobicContact CE2-CB 4.16Å; F40-P178 HydrophobicContact CE2-CG 3.41Å; F40-P178 VanDerWaalsContact CE2-CG 3.41Å; M45-P178 HydrophobicContact CB-CB 4.32Å; M45-P178 HydrophobicContact CB-CG 4.03Å; M45-P178 HydrophobicContact SD-CG 4.21Å; S46-P178 WeakPolarHBondContact O-CB 3.47Å; F47-P178 HydrophobicContact CD1-CB 4.09Å; F47-P178 HydrophobicContact CD1-CG 4.4Å; F47-P178 HydrophobicContact CE1-CB 4.22Å; F47-P178 HydrophobicContact CE1-CG 4.02Å
179	R	93.1	Very high	91.1	Very high	106 Å²	106	33.2 Å²	33.2	40%	0.4	17%	0.165	S	C	.	.	S	Bend	trans	-72.5	-36.4	-172.9	177.5	172.7	174.2	173.6	3	113.2	D171 L172	D171-R179 VanDerWaalsContact CG-NE 3.26Å; D171-R179 WeakPolarHBondContact OD1-CD 3.36Å; D171-R179 WeakPolarHBondContact OD1-CG 3.37Å; D171-R179 IonicContact OD1-CZ 3.57Å; D171-R179 IonicContact OD1-NE 2.7Å; D171-R179 PolarHBondContact OD1-NE 3.03Å; D171-R179 IonicContact OD1-NH2 3.58Å; D171-R179 IonicContact OD2-CZ 3.26Å; D171-R179 VanDerWaalsContact OD2-CZ 3.26Å; D171-R179 IonicContact OD2-NE 3.1Å; D171-R179 PolarHBondContact OD2-NE 2.77Å; D171-R179 VanDerWaalsContact OD2-NE 3.1Å; D171-R179 IonicContact OD2-NH2 2.68Å; D171-R179 PolarHBondContact OD2-NH2 3.29Å; L172-R179 PolarHBondContact N-O 3.2Å
180	W	94.8	Very high	90.3	Very high	29 Å²	29	36 Å²	36	11%	0.11	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	124	-176.8	-68.6	79.9	0	0	0	110.7	M45 S46 K49 A53 W169 Y170 D171	M45-W180 CarbonylContact C-O 3.52Å; M45-W180 WeakPolarHBondContact CA-O 3.34Å; S46-W180 PolarHBondContact N-O 3.49Å; S46-W180 WeakPolarHBondContact O-CB 3.43Å; S46-W180 PolarHBondContact O-N 3.24Å; K49-W180 VanDerWaalsContact CA-CE2 3.48Å; K49-W180 HydrophobicContact CB-CD2 4.21Å; K49-W180 HydrophobicContact CB-CH2 4.06Å; K49-W180 HydrophobicContact CB-CZ2 3.5Å; K49-W180 HydrophobicContact CD-CH2 3.5Å; K49-W180 VanDerWaalsContact CD-CH2 3.5Å; K49-W180 HydrophobicContact CD-CZ2 3.65Å; K49-W180 HydrophobicContact CD-CZ3 4.27Å; K49-W180 HydrophobicContact CG-CD2 4.3Å; K49-W180 HydrophobicContact CG-CE3 4.27Å; K49-W180 HydrophobicContact CG-CH2 3.48Å; K49-W180 VanDerWaalsContact CG-CH2 3.48Å; K49-W180 HydrophobicContact CG-CZ2 3.49Å; K49-W180 VanDerWaalsContact CG-CZ2 3.49Å; K49-W180 HydrophobicContact CG-CZ3 3.88Å; A53-W180 HydrophobicContact CB-CE3 4.14Å; A53-W180 HydrophobicContact CB-CZ3 3.89Å; W169-W180 HydrophobicContact CB-CE3 4.35Å; W169-W180 HydrophobicContact CE3-CB 4.11Å; W169-W180 HydrophobicContact CZ3-CB 4.3Å; Y170-W180 VanDerWaalsContact O-CA 3.31Å; Y170-W180 WeakPolarHBondContact O-CA 3.46Å; D171-W180 HydrophobicContact CB-CD2 4.27Å; D171-W180 HydrophobicContact CB-CE3 4.23Å; D171-W180 HydrophobicContact CB-CH2 3.75Å; D171-W180 HydrophobicContact CB-CZ2 3.79Å; D171-W180 HydrophobicContact CB-CZ3 3.98Å
181	I	94.7	Very high	89.6	Confident	2 Å²	2	40.3 Å²	40.3	1%	0.01	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	131.9	179.6	-57.4	-60.8	0	0	0	109.6	F44 M45 W169 Y170 L172 I210 I212 L233 I235	F44-I181 CarbonylContact O-C 3.59Å; F44-I181 WeakPolarHBondContact O-CA 3.5Å; M45-I181 HydrophobicContact CB-CD1 4.24Å; M45-I181 HydrophobicContact CG-CD1 3.91Å; W169-I181 WeakPolarHBondContact CA-O 3.26Å; W169-I181 VanDerWaalsContact CE3-C 3.47Å; Y170-I181 PolarHBondContact N-O 2.91Å; Y170-I181 PolarHBondContact O-N 2.94Å; L172-I181 HydrophobicContact CD1-CB 4.3Å; L172-I181 HydrophobicContact CD1-CG1 3.52Å; L172-I181 HydrophobicContact CG-CG1 4.11Å; I181-I210 HydrophobicContact CD1-CD1 4.39Å; I181-I210 HydrophobicContact CG2-CD1 3.94Å; I181-I212 HydrophobicContact CD1-CG2 3.64Å; I181-I212 HydrophobicContact CG1-CG2 4.36Å; I181-L233 HydrophobicContact CG2-CD1 4.47Å; I181-I235 HydrophobicContact CG2-CD1 4.14Å
182	K	93.1	Very high	89.2	Confident	17 Å²	17	40.4 Å²	40.4	7%	0.074	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	128.6	173	-162.3	-178.7	-175.7	159.2	0	108.1	E43 F44 E52 Y167 I168 W169 I235	E43-K182 WeakPolarHBondContact O-CD 2.97Å; F44-K182 HydrophobicContact CD1-CB 4.38Å; F44-K182 PolarHBondContact O-N 3.3Å; E52-K182 IonicContact OE1-NZ 2.87Å; E52-K182 IonicContact OE2-NZ 3.89Å; E52-K182 PolarHBondContact OE2-NZ 3.41Å; Y167-K182 VanDerWaalsContact CB-CE 3.44Å; Y167-K182 HydrophobicContact CD1-CD 4.04Å; Y167-K182 HydrophobicContact CD1-CG 3.83Å; Y167-K182 HydrophobicContact CG-CD 4.25Å; Y167-K182 HydrophobicContact CG-CG 4.27Å; I168-K182 CarbonylContact O-C 3.42Å; I168-K182 WeakPolarHBondContact O-CA 3.39Å; W169-K182 HydrophobicContact CD2-CB 3.68Å; W169-K182 HydrophobicContact CD2-CD 4.49Å; W169-K182 HydrophobicContact CD2-CG 3.98Å; W169-K182 HydrophobicContact CE3-CB 3.75Å; W169-K182 VanDerWaalsContact CE3-N 3.34Å; W169-K182 HydrophobicContact CG-CB 4.39Å; W169-K182 HydrophobicContact CG-CG 4.3Å; W169-K182 HydrophobicContact CH2-CB 3.84Å; W169-K182 HydrophobicContact CH2-CD 4.48Å; W169-K182 HydrophobicContact CZ2-CB 3.78Å; W169-K182 HydrophobicContact CZ2-CD 3.72Å; W169-K182 HydrophobicContact CZ2-CG 4.07Å; W169-K182 HydrophobicContact CZ3-CB 3.83Å; K182-I235 WeakPolarHBondContact O-CD1 3.34Å
183	T	90.5	Very high	89	Confident	15 Å²	15	39.3 Å²	39.3	9%	0.092	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	150	172.4	-169.3	0	0	0	0	110.6	I7 Y167 I168 Y170	I7-T183 HydrophobicContact CD1-CG2 3.7Å; I7-T183 HydrophobicContact CG1-CG2 3.95Å; Y167-T183 WeakPolarHBondContact CA-O 3.39Å; Y167-T183 WeakPolarHBondContact CD1-O 3.25Å; I168-T183 HydrophobicContact CG2-CG2 3.76Å; I168-T183 PolarHBondContact N-O 2.9Å; I168-T183 PolarHBondContact O-N 2.86Å; Y170-T183 HydrophobicContact CD2-CG2 3.69Å; Y170-T183 HydrophobicContact CE2-CG2 3.39Å
184	G	90.8	Very high	89	Confident	4 Å²	4	39 Å²	39	4%	0.041	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	144.8	173.8	0	0	0	0	0	111.5	Y166 V236	Y166-G184 CarbonylContact O-C 3.53Å; Y166-G184 VanDerWaalsContact O-CA 3.3Å; Y166-G184 WeakPolarHBondContact O-CA 3.42Å; G184-V236 WeakPolarHBondContact CA-O 3.29Å; G184-V236 WeakPolarHBondContact O-CB 3.43Å; G184-V236 WeakPolarHBondContact O-CG2 3.38Å
185	Q	88.2	Confident	88.8	Confident	38 Å²	38	36.3 Å²	36.3	18%	0.178	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	133.1	171.6	-177.6	175.3	7.6	0	0	109.8	I6 Y166	I6-Q185 HydrophobicContact CD1-CG 4.07Å; Y166-Q185 VanDerWaalsContact CB-O 3.27Å; Y166-Q185 WeakPolarHBondContact CB-O 3.37Å; Y166-Q185 PolarHBondContact N-O 3.33Å; Y166-Q185 PolarHBondContact O-N 2.97Å
186	C	90.5	Very high	88.4	Confident	15 Å²	15	39 Å²	39	10%	0.101	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	137.4	173	-58.3	0	0	0	0	110.5	H203 E204 C239	C186-H203 PolarHBondContact SG-O 3.27Å; C186-E204 PolarHBondContact SG-N 2.9Å; C186-C239 WeakPolarHBondContact CA-SG 3.47Å; C186-C239 HydrophobicContact CB-CB 3.84Å; C186-C239 WeakPolarHBondContact CB-SG 3.38Å; C186-C239 VanDerWaalsContact SG-CA 3.57Å; C186-C239 WeakPolarHBondContact SG-CB 2.99Å; C186-C239 CovalentContact SG-SG 2.03Å; C186-C239 PolarHBondContact SG-SG 3.27Å
187	V	86.1	Confident	88.1	Confident	41 Å²	41	42.9 Å²	42.9	25%	0.248	24%	0.24	C	C	.	.			trans	-128.6	146.6	176.7	-60.8	0	0	0	0	111	L61 P164	L61-V187 HydrophobicContact CD2-CG2 3.4Å; P164-V187 HydrophobicContact CG-CG2 3.94Å; P164-V187 PolarHBondContact O-N 3.47Å
188	N	84.6	Confident	87.8	Confident	44 Å²	44	46.8 Å²	46.8	24%	0.235	27%	0.269	C	S	.	.			trans	-89.5	132.3	171.2	-66.6	-61.4	0	0	0	109.4	A190 N191 C202	N188-A190 PolarHBondContact O-N 2.92Å; N188-N191 PolarHBondContact O-N 3.37Å; N188-C202 VanDerWaalsContact OD1-CB 3.25Å; N188-C202 WeakPolarHBondContact OD1-CB 3.37Å; N188-C202 PolarHBondContact OD1-N 2.88Å
189	L	75.4	Confident	87.5	Confident	40 Å²	40	48.5 Å²	48.5	21%	0.209	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-59.7	124.3	172.5	-107.7	67.3	0	0	0	109.3	L119 P164 N191 T192	L119-L189 HydrophobicContact CD2-CD1 3.61Å; L119-L189 HydrophobicContact CD2-CD2 4.02Å; L119-L189 HydrophobicContact CD2-CG 4.49Å; L119-L189 HydrophobicContact CG-CD1 4.42Å; L119-L189 HydrophobicContact CG-CD2 3.96Å; P164-L189 HydrophobicContact CG-CD1 3.51Å; L189-N191 PolarHBondContact O-N 3.29Å; L189-T192 PolarHBondContact O-N 2.03Å; L189-T192 PolarHBondContact O-OG1 3.33Å
190	A	75.2	Confident	87.4	Confident	84 Å²	84	46.1 Å²	46.1	69%	0.694	28%	0.281	S	S	*	.	G	3₁₀ helix	trans	49.1	27.5	179.8	0	0	0	0	0	114.8	N188 T192	N188-A190 PolarHBondContact O-N 2.92Å; A190-T192 HydrophobicContact CB-CG2 4.31Å; A190-T192 PolarHBondContact O-N 2.91Å
191	N	78.6	Confident	87.3	Confident	135 Å²	135	48.8 Å²	48.8	72%	0.722	29%	0.291	S	S	*	.	G	3₁₀ helix	trans	56.5	25.9	-173.2	-74.2	30.9	0	0	0	114.8	N188 L189	N188-N191 PolarHBondContact O-N 3.37Å; L189-N191 PolarHBondContact O-N 3.29Å
192	T	83.9	Confident	87.2	Confident	66 Å²	66	49.1 Å²	49.1	41%	0.405	29%	0.294	S	S	.	.			trans	-96.2	158.7	179.7	62.8	0	0	0	0	112.5	L189 A190	L189-T192 PolarHBondContact O-N 2.03Å; L189-T192 PolarHBondContact O-OG1 3.33Å; A190-T192 HydrophobicContact CB-CG2 4.31Å; A190-T192 PolarHBondContact O-N 2.91Å
193	S	89.1	Confident	87.2	Confident	6 Å²	6	50.7 Å²	50.7	4%	0.042	30%	0.301	C	S	.	.			trans	-54.9	138.9	168.6	168.7	0	0	0	0	110.9	Y160 S195 P198 G199 M200	Y160-S193 VanDerWaalsContact CE1-O 3.26Å; Y160-S193 WeakPolarHBondContact CE1-O 3.27Å; Y160-S193 PolarHBondContact OH-O 3.11Å; S193-S195 VanDerWaalsContact C-N 3.34Å; S193-S195 PolarHBondContact OG-N 2.77Å; S193-S195 VanDerWaalsContact OG-N 3.13Å; S193-S195 PolarHBondContact OG-O 3.34Å; S193-S195 VanDerWaalsContact OG-O 3.09Å; S193-S195 PolarHBondContact OG-OG 2.93Å; S193-P198 VanDerWaalsContact OG-CA 3.24Å; S193-P198 WeakPolarHBondContact OG-CA 3.44Å; S193-G199 PolarHBondContact OG-N 3.03Å; S193-M200 CarbonylContact C-O 3.58Å; S193-M200 VanDerWaalsContact CA-O 3.29Å; S193-M200 WeakPolarHBondContact CA-O 3.32Å; S193-M200 PolarHBondContact OG-O 3.12Å; S193-M200 VanDerWaalsContact OG-O 3.11Å
194	C	90.2	Very high	87.2	Confident	6 Å²	6	53.7 Å²	53.7	4%	0.041	31%	0.314	C	S	.	.	S	Bend	trans	-89.5	5.5	174.1	57.8	0	0	0	0	113.3	Y160 N161 M200 Y201 C241	Y160-C194 WeakPolarHBondContact CD1-O 3.47Å; Y160-C194 VanDerWaalsContact CE1-C 3.44Å; N161-C194 WeakPolarHBondContact CA-O 2.97Å; N161-C194 PolarHBondContact OD1-O 3.13Å; C194-M200 PolarHBondContact N-O 3.05Å; C194-M200 VanDerWaalsContact SG-C 3.5Å; C194-M200 PolarHBondContact SG-O 3.46Å; C194-M200 VanDerWaalsContact SG-O 3.33Å; C194-Y201 WeakPolarHBondContact SG-CA 3.38Å; C194-C241 HydrophobicContact CB-CB 3.86Å; C194-C241 WeakPolarHBondContact CB-SG 3.48Å; C194-C241 PolarHBondContact O-SG 2.94Å; C194-C241 WeakPolarHBondContact SG-CA 3.34Å; C194-C241 WeakPolarHBondContact SG-CB 3.45Å; C194-C241 CovalentContact SG-SG 2.03Å; C194-C241 PolarHBondContact SG-SG 3.42Å
195	S	89.3	Confident	87.2	Confident	13 Å²	13	58.3 Å²	58.3	9%	0.091	33%	0.333	C	S	.	.	S	Bend	trans	-122.4	160.4	175.6	65.5	0	0	0	0	114	S193 P197 G199 M200	S193-S195 VanDerWaalsContact C-N 3.34Å; S193-S195 PolarHBondContact OG-N 2.77Å; S193-S195 VanDerWaalsContact OG-N 3.13Å; S193-S195 PolarHBondContact OG-O 3.34Å; S193-S195 VanDerWaalsContact OG-O 3.09Å; S193-S195 PolarHBondContact OG-OG 2.93Å; S195-P197 CarbonylContact C-O 3.22Å; S195-P197 CarbonylContact O-C 3.53Å; S195-P197 VanDerWaalsContact O-O 3.09Å; S195-P197 PolarHBondContact OG-O 3.42Å; S195-G199 PolarHBondContact OG-N 3.26Å; S195-M200 WeakPolarHBondContact OG-CB 3.46Å; S195-M200 WeakPolarHBondContact OG-CG 3.33Å; S195-M200 PolarHBondContact OG-N 3.37Å; S195-M200 VanDerWaalsContact OG-N 3.07Å
196	L	84.7	Confident	87.4	Confident	105 Å²	105	59.8 Å²	59.8	55%	0.55	34%	0.342	S	S	.	.	S	Bend	trans	-118.2	123	167.3	-94.3	68.9	0	0	0	110.1	Y160	Y160-L196 HydrophobicContact CD1-CD1 3.58Å; Y160-L196 HydrophobicContact CE1-CD1 3.21Å; Y160-L196 HydrophobicContact CE2-CD1 4.25Å; Y160-L196 HydrophobicContact CG-CD1 4.26Å
197	P	87.4	Confident	87.5	Confident	109 Å²	109	63.5 Å²	63.5	71%	0.708	36%	0.36	S	S	*	.	S	Bend	cis	-61.6	165.8	-7.7	29.6	-36.2	0	0	0	112.1	S195	S195-P197 CarbonylContact C-O 3.22Å; S195-P197 CarbonylContact O-C 3.53Å; S195-P197 VanDerWaalsContact O-O 3.09Å; S195-P197 PolarHBondContact OG-O 3.42Å
198	P	88.2	Confident	87.7	Confident	107 Å²	107	66.1 Å²	66.1	70%	0.695	37%	0.37	S	S	*	.	S	Bend	trans	-61.6	139.9	-180	25.6	-34.8	0	0	0	112	S193	S193-P198 VanDerWaalsContact OG-CA 3.24Å; S193-P198 WeakPolarHBondContact OG-CA 3.44Å
199	G	88.8	Confident	88.1	Confident	36 Å²	36	69.7 Å²	69.7	37%	0.371	39%	0.389	S	S	.	.			trans	162.4	-17.1	177	0	0	0	0	0	115.9	S193 S195	S193-G199 PolarHBondContact OG-N 3.03Å; S195-G199 PolarHBondContact OG-N 3.26Å
200	M	92.4	Very high	88.9	Confident	57 Å²	57	68.3 Å²	68.3	28%	0.281	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	149.8	175.5	-58.3	172.6	67.9	0	0	110.7	S193 C194 S195 C241 Q242	S193-M200 CarbonylContact C-O 3.58Å; S193-M200 VanDerWaalsContact CA-O 3.29Å; S193-M200 WeakPolarHBondContact CA-O 3.32Å; S193-M200 PolarHBondContact OG-O 3.12Å; S193-M200 VanDerWaalsContact OG-O 3.11Å; C194-M200 PolarHBondContact N-O 3.05Å; C194-M200 VanDerWaalsContact SG-C 3.5Å; C194-M200 PolarHBondContact SG-O 3.46Å; C194-M200 VanDerWaalsContact SG-O 3.33Å; S195-M200 WeakPolarHBondContact OG-CB 3.46Å; S195-M200 WeakPolarHBondContact OG-CG 3.33Å; S195-M200 PolarHBondContact OG-N 3.37Å; S195-M200 VanDerWaalsContact OG-N 3.07Å; M200-C241 WeakPolarHBondContact CB-SG 3.3Å; M200-C241 WeakPolarHBondContact CE-O 3.27Å; M200-Q242 CarbonylContact C-O 3.38Å; M200-Q242 VanDerWaalsContact CA-O 3.29Å; M200-Q242 WeakPolarHBondContact CA-O 3.47Å; M200-Q242 VanDerWaalsContact CB-O 3.31Å; M200-Q242 WeakPolarHBondContact CB-O 3.16Å
201	Y	92.1	Very high	89.8	Confident	84 Å²	84	64.5 Å²	64.5	33%	0.329	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	159.8	-179.8	-65.3	-88.3	0	0	0	110.8	C194 H203 Q242 T244	C194-Y201 WeakPolarHBondContact SG-CA 3.38Å; Y201-H203 PolarHBondContact O-CD2 3.36Å; Y201-H203 VanDerWaalsContact O-CD2 3.26Å; Y201-H203 PolarHBondContact O-N 3.14Å; Y201-Q242 PolarHBondContact N-O 2.87Å; Y201-Q242 PolarHBondContact O-N 2.97Å; Y201-T244 HydrophobicContact CD2-CG2 3.68Å; Y201-T244 HydrophobicContact CE2-CG2 4.42Å; Y201-T244 HydrophobicContact CG-CG2 4.47Å
202	C	92	Very high	90.5	Very high	9 Å²	9	58 Å²	58	6%	0.061	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	115.9	178.7	-67	0	0	0	0	110.8	C163 N188	C163-C202 WeakPolarHBondContact CA-SG 3.42Å; C163-C202 HydrophobicContact CB-CB 3.55Å; C163-C202 WeakPolarHBondContact CB-SG 3.36Å; C163-C202 WeakPolarHBondContact SG-CA 3.29Å; C163-C202 WeakPolarHBondContact SG-CB 3.23Å; C163-C202 CovalentContact SG-SG 2.04Å; C163-C202 PolarHBondContact SG-SG 3.1Å; N188-C202 VanDerWaalsContact OD1-CB 3.25Å; N188-C202 WeakPolarHBondContact OD1-CB 3.37Å; N188-C202 PolarHBondContact OD1-N 2.88Å
203	H	92.4	Very high	91.1	Very high	51 Å²	51	55 Å²	55	24%	0.236	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	163.7	178.5	-73.3	-69.8	0	0	0	111.2	C186 Y201 K205 C239 S240 Q242	C186-H203 PolarHBondContact SG-O 3.27Å; Y201-H203 PolarHBondContact O-CD2 3.36Å; Y201-H203 VanDerWaalsContact O-CD2 3.26Å; Y201-H203 PolarHBondContact O-N 3.14Å; H203-K205 PolarHBondContact O-N 3.43Å; H203-C239 CarbonylContact O-C 3.54Å; H203-C239 WeakPolarHBondContact O-CA 3.24Å; H203-S240 PolarHBondContact N-O 3.21Å; H203-S240 PolarHBondContact O-N 3.11Å; H203-Q242 HydrophobicContact CB-CB 4.45Å
204	E	91.9	Very high	91.4	Very high	78 Å²	78	55.1 Å²	55.1	36%	0.364	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.2	127	174.6	-57.8	81.2	-173.8	0	0	109.9	C186 I207 V236	C186-E204 PolarHBondContact SG-N 2.9Å; E204-I207 HydrophobicContact CB-CD1 4.12Å; E204-I207 HydrophobicContact CB-CG1 4.19Å; E204-V236 HydrophobicContact CB-CG1 3.99Å; E204-V236 HydrophobicContact CB-CG2 4.29Å; E204-V236 HydrophobicContact CG-CB 4.2Å; E204-V236 HydrophobicContact CG-CG1 3.71Å; E204-V236 HydrophobicContact CG-CG2 3.39Å
205	K	91.4	Very high	91.6	Very high	101 Å²	101	56 Å²	56	44%	0.439	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	-54.3	175.1	-173.7	-177.3	150.6	-160	0	110.9	H203 E238 S240	H203-K205 PolarHBondContact O-N 3.43Å; K205-E238 HydrophobicContact CB-CB 4.24Å; K205-E238 HydrophobicContact CB-CG 4.34Å; K205-E238 HydrophobicContact CD-CG 4.16Å; K205-E238 VanDerWaalsContact CE-OE2 3.29Å; K205-E238 WeakPolarHBondContact CE-OE2 3.35Å; K205-E238 PolarHBondContact N-O 3.39Å; K205-E238 IonicContact NZ-OE1 2.75Å; K205-E238 PolarHBondContact NZ-OE1 3.49Å; K205-E238 IonicContact NZ-OE2 2.93Å; K205-E238 PolarHBondContact NZ-OE2 3.21Å; K205-S240 WeakPolarHBondContact CB-OG 3.24Å
206	N	91.6	Very high	91.9	Very high	69 Å²	69	56.3 Å²	56.3	37%	0.369	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	135.8	178.4	-59.6	-9	0	0	0	109.2	T237 E238	N206-T237 PolarHBondContact O-N 3.41Å; N206-T237 PolarHBondContact O-OG1 3.13Å; N206-E238 HydrophobicContact CB-CB 3.79Å; N206-E238 PolarHBondContact N-O 2.84Å; N206-E238 PolarHBondContact ND2-OE2 3.32Å; N206-E238 PolarHBondContact O-N 3.31Å
207	I	92.5	Very high	92.4	Very high	92 Å²	92	51.7 Å²	51.7	47%	0.472	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	126.2	176.9	-61.4	175.9	0	0	0	106.8	E204 P234 I235	E204-I207 HydrophobicContact CB-CD1 4.12Å; E204-I207 HydrophobicContact CB-CG1 4.19Å; I207-P234 HydrophobicContact CG2-CB 3.39Å; I207-I235 CarbonylContact C-O 3.6Å; I207-I235 VanDerWaalsContact CA-O 3.31Å; I207-I235 WeakPolarHBondContact CA-O 3.42Å
208	E	91	Very high	92.7	Very high	97 Å²	97	47 Å²	47	45%	0.453	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	133.5	174.1	-71.4	-178.6	-162.4	0	0	109.8	I235 T237	E208-I235 PolarHBondContact N-O 3.27Å; E208-I235 PolarHBondContact O-N 3.31Å; E208-T237 HydrophobicContact CB-CG2 3.94Å; E208-T237 HydrophobicContact CG-CG2 3.75Å
209	N	91.7	Very high	93	Very high	118 Å²	118	47.3 Å²	47.3	63%	0.631	24%	0.237	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-89.4	112.6	176.3	-72.1	-56.4	0	0	0	109.5
210	I	93	Very high	93.3	Very high	12 Å²	12	54.8 Å²	54.8	6%	0.062	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	150.7	171.9	63.4	153.9	0	0	0	110.3	M45 I181 I212 H232 L233 I235	M45-I210 HydrophobicContact CE-CB 3.54Å; M45-I210 HydrophobicContact CE-CD1 3.66Å; M45-I210 HydrophobicContact CE-CG1 4.12Å; M45-I210 HydrophobicContact CE-CG2 4.13Å; M45-I210 HydrophobicContact CG-CD1 4.41Å; I181-I210 HydrophobicContact CD1-CD1 4.39Å; I181-I210 HydrophobicContact CG2-CD1 3.94Å; I210-I212 HydrophobicContact CD1-CG2 3.95Å; I210-H232 CarbonylContact O-C 3.54Å; I210-H232 VanDerWaalsContact O-CA 3.23Å; I210-H232 WeakPolarHBondContact O-CA 3.26Å; I210-L233 HydrophobicContact CD1-CB 4.34Å; I210-L233 HydrophobicContact CG1-CB 3.9Å; I210-L233 WeakPolarHBondContact CG1-O 3.4Å; I210-L233 PolarHBondContact N-O 2.99Å; I210-L233 PolarHBondContact O-N 2.82Å; I210-I235 HydrophobicContact CB-CD1 4.38Å; I210-I235 HydrophobicContact CD1-CD1 3.23Å; I210-I235 HydrophobicContact CD1-CG1 4.11Å; I210-I235 HydrophobicContact CG1-CD1 3.58Å; I210-I235 HydrophobicContact CG1-CG1 4.03Å; I210-I235 HydrophobicContact CG2-CD1 3.93Å
211	A	93.2	Very high	93.3	Very high	3 Å²	3	56.8 Å²	56.8	3%	0.025	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	139.1	169.6	0	0	0	0	0	110	L35 N39 M45	L35-A211 HydrophobicContact CD1-CB 4.17Å; L35-A211 WeakPolarHBondContact CD1-O 3.22Å; N39-A211 HydrophobicContact CB-CB 4.12Å; M45-A211 WeakPolarHBondContact CE-O 3.32Å
212	I	94.9	Very high	93.4	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	165	169.2	63.1	162.4	0	0	0	109.3	M45 L172 F176 I181 I210 R230 V231 L233	M45-I212 HydrophobicContact CE-CG2 4.32Å; L172-I212 HydrophobicContact CD1-CD1 3.69Å; F176-I212 HydrophobicContact CD1-CD1 3.74Å; F176-I212 HydrophobicContact CE1-CD1 4.34Å; I181-I212 HydrophobicContact CD1-CG2 3.64Å; I181-I212 HydrophobicContact CG1-CG2 4.36Å; I210-I212 HydrophobicContact CD1-CG2 3.95Å; I212-R230 CarbonylContact O-C 3.49Å; I212-R230 VanDerWaalsContact O-CA 3.32Å; I212-R230 WeakPolarHBondContact O-CA 3.33Å; I212-V231 HydrophobicContact CG1-CB 4.28Å; I212-V231 WeakPolarHBondContact CG1-O 3.28Å; I212-V231 PolarHBondContact N-O 2.97Å; I212-V231 PolarHBondContact O-N 3.03Å; I212-L233 HydrophobicContact CD1-CD1 3.38Å; I212-L233 HydrophobicContact CD1-CG 3.9Å; I212-L233 HydrophobicContact CG1-CD1 3.98Å; I212-L233 HydrophobicContact CG1-CG 4.07Å; I212-L233 HydrophobicContact CG2-CD1 4.36Å
213	L	95.8	Very high	93.4	Very high	1 Å²	1	61.7 Å²	61.7	1%	0.005	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	139.9	171.6	-60.8	173	0	0	0	110.2	M31 L34 L35 F176 W177 W228 Y229 R230	M31-L213 HydrophobicContact CE-CD1 3.67Å; M31-L213 HydrophobicContact SD-CD1 4.4Å; L34-L213 HydrophobicContact CB-CD1 4.12Å; L34-L213 HydrophobicContact CD2-CD1 3.98Å; L34-L213 HydrophobicContact CD2-CD2 4.24Å; L34-L213 HydrophobicContact CG-CD1 4.05Å; L34-L213 HydrophobicContact CG-CD2 3.97Å; L35-L213 HydrophobicContact CB-CD1 4.05Å; L35-L213 HydrophobicContact CB-CG 4.16Å; L35-L213 HydrophobicContact CD1-CG 4.2Å; F176-L213 CarbonylContact C-O 3.58Å; F176-L213 VanDerWaalsContact CA-O 3.29Å; F176-L213 WeakPolarHBondContact CA-O 3.33Å; W177-L213 HydrophobicContact CB-CB 4.24Å; W177-L213 HydrophobicContact CE3-CD1 3.89Å; W177-L213 HydrophobicContact CZ3-CD1 4.43Å; W177-L213 PolarHBondContact N-O 3.01Å; W177-L213 WeakPolarHBondContact O-CA 3.38Å; W177-L213 WeakPolarHBondContact O-CB 3.38Å; W177-L213 PolarHBondContact O-N 2.69Å; L213-W228 HydrophobicContact CB-CE3 3.81Å; L213-W228 HydrophobicContact CB-CZ3 4.36Å; L213-Y229 CarbonylContact C-O 3.55Å; L213-Y229 WeakPolarHBondContact CA-O 3.4Å; L213-R230 HydrophobicContact CD2-CG 3.69Å
214	R	95	Very high	93.5	Very high	10 Å²	10	64.7 Å²	64.7	4%	0.038	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	125.3	169.8	-179.1	-175.3	174.4	170.6	-1.1	109.6	P12 E17 K175 F176 I216 Y229 V231	P12-R214 VanDerWaalsContact O-CZ 3.23Å; P12-R214 PolarHBondContact O-NH1 3.4Å; P12-R214 PolarHBondContact O-NH2 3.07Å; E17-R214 IonicContact OE1-CZ 2.89Å; E17-R214 IonicContact OE1-NH2 3.96Å; E17-R214 PolarHBondContact OE1-NH2 3.42Å; K175-R214 CarbonylContact O-C 3.56Å; K175-R214 WeakPolarHBondContact O-CA 3.01Å; F176-R214 HydrophobicContact CD1-CB 3.91Å; F176-R214 HydrophobicContact CD1-CG 3.99Å; F176-R214 HydrophobicContact CE1-CB 3.84Å; F176-R214 HydrophobicContact CE1-CG 3.58Å; F176-R214 HydrophobicContact CZ-CG 3.96Å; R214-I216 HydrophobicContact CG-CD1 4.42Å; R214-I216 HydrophobicContact CG-CG1 3.86Å; R214-Y229 PolarHBondContact N-O 3.25Å; R214-Y229 PolarHBondContact O-N 3.44Å; R214-V231 HydrophobicContact CB-CG2 3.8Å
215	Y	95.3	Very high	93.6	Very high	24 Å²	24	67 Å²	67	9%	0.094	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	123.5	169.2	-171.5	-107.1	0	0	0	109.7	F20 V24 K175 C217 C226 N227 W228	F20-Y215 AromaticContact CD2-CD1 3.87Å; F20-Y215 HydrophobicContact CD2-CD1 3.87Å; F20-Y215 HydrophobicContact CD2-CG 4.3Å; F20-Y215 HydrophobicContact CE2-CD1 4.18Å; F20-Y215 HydrophobicContact CE2-CG 4.19Å; V24-Y215 HydrophobicContact CB-CE2 4.49Å; V24-Y215 HydrophobicContact CG1-CD1 4.41Å; V24-Y215 HydrophobicContact CG1-CD2 3.58Å; V24-Y215 HydrophobicContact CG1-CE1 4Å; V24-Y215 HydrophobicContact CG1-CE2 3.12Å; V24-Y215 HydrophobicContact CG1-CG 4.2Å; K175-Y215 PolarHBondContact O-N 3.4Å; Y215-C217 HydrophobicContact CD1-CB 4.28Å; Y215-C217 HydrophobicContact CE1-CB 3.56Å; Y215-C226 HydrophobicContact CE2-CB 4.39Å; Y215-C226 WeakPolarHBondContact OH-CB 3.27Å; Y215-N227 WeakPolarHBondContact CA-O 3.37Å; Y215-N227 VanDerWaalsContact CD2-C 3.44Å; Y215-N227 WeakPolarHBondContact CD2-O 3.31Å; Y215-W228 HydrophobicContact CD2-CD2 4.07Å; Y215-W228 HydrophobicContact CD2-CG 4.09Å; Y215-W228 AromaticContact CD2-NE1 3.97Å; Y215-W228 HydrophobicContact CG-CD2 4.44Å
216	I	94.4	Very high	93.7	Very high	20 Å²	20	62.9 Å²	62.9	10%	0.103	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	120.4	-177.5	-63.2	173.7	0	0	0	107.9	I14 R214 P218 W221 C226 N227 Y229	I14-I216 HydrophobicContact CD1-CB 4.27Å; I14-I216 HydrophobicContact CD1-CD1 3.92Å; I14-I216 HydrophobicContact CD1-CG1 3.92Å; I14-I216 HydrophobicContact CD1-CG2 3.42Å; I14-I216 VanDerWaalsContact CD1-CG2 3.42Å; R214-I216 HydrophobicContact CG-CD1 4.42Å; R214-I216 HydrophobicContact CG-CG1 3.86Å; I216-P218 HydrophobicContact CG2-CG 4.01Å; I216-W221 HydrophobicContact CG2-CH2 3.96Å; I216-W221 HydrophobicContact CG2-CZ3 3.77Å; I216-C226 WeakPolarHBondContact O-CA 3.3Å; I216-N227 PolarHBondContact N-O 3.46Å; I216-N227 PolarHBondContact O-N 2.78Å; I216-Y229 HydrophobicContact CB-CD2 3.76Å; I216-Y229 HydrophobicContact CB-CE2 3.9Å; I216-Y229 HydrophobicContact CD1-CD2 3.82Å; I216-Y229 HydrophobicContact CD1-CG 4.24Å; I216-Y229 HydrophobicContact CG1-CD2 3.99Å
217	C	94.7	Very high	93.9	Very high	7 Å²	7	63.5 Å²	63.5	5%	0.047	32%	0.321	C	S	.	.			trans	-145	75.5	177.6	-168.5	0	0	0	0	112	R18 Y215 C226	R18-C217 HydrophobicContact CB-CB 4.5Å; R18-C217 WeakPolarHBondContact CB-O 3.44Å; R18-C217 PolarHBondContact N-O 2.89Å; R18-C217 PolarHBondContact NH1-SG 3.05Å; Y215-C217 HydrophobicContact CD1-CB 4.28Å; Y215-C217 HydrophobicContact CE1-CB 3.56Å; C217-C226 WeakPolarHBondContact CA-SG 3.46Å; C217-C226 HydrophobicContact CB-CB 3.49Å; C217-C226 VanDerWaalsContact CB-CB 3.49Å; C217-C226 WeakPolarHBondContact CB-SG 3.07Å; C217-C226 WeakPolarHBondContact SG-CB 3.34Å; C217-C226 CovalentContact SG-SG 2.03Å; C217-C226 PolarHBondContact SG-SG 3.37Å
218	P	94.8	Very high	94.1	Very high	11 Å²	11	59.6 Å²	59.6	7%	0.071	30%	0.301	C	S	.	.	B	Isolated β-bridge	trans	-65.3	144.3	175.5	-17.5	33.7	0	0	0	111	I14 R18 I216 K220 W221	I14-P218 HydrophobicContact CG2-CB 4.32Å; I14-P218 HydrophobicContact CG2-CG 3.92Å; R18-P218 PolarHBondContact NH1-O 3.18Å; I216-P218 HydrophobicContact CG2-CG 4.01Å; P218-K220 PolarHBondContact O-N 3.24Å; P218-W221 HydrophobicContact CB-CD2 4.37Å; P218-W221 HydrophobicContact CB-CG 4.19Å; P218-W221 VanDerWaalsContact CD-CD2 3.5Å; P218-W221 VanDerWaalsContact CD-CE3 3.4Å; P218-W221 HydrophobicContact CG-CD2 3.7Å; P218-W221 HydrophobicContact CG-CE3 4.01Å; P218-W221 HydrophobicContact CG-CG 4.04Å; P218-W221 HydrophobicContact CG-CH2 4.47Å; P218-W221 HydrophobicContact CG-CZ2 4.2Å; P218-W221 HydrophobicContact CG-CZ3 4.38Å; P218-W221 WeakPolarHBondContact O-CB 3.5Å; P218-W221 PolarHBondContact O-N 3.02Å
219	E	94.8	Very high	94.3	Very high	113 Å²	113	59 Å²	59	53%	0.528	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-31.3	178.3	-76.6	174.4	-175.2	0	0	113.6	N16 R18 W221	N16-E219 WeakPolarHBondContact O-CG 3.49Å; N16-E219 PolarHBondContact O-N 3.4Å; R18-E219 HydrophobicContact CG-CG 3.75Å; R18-E219 PolarHBondContact NH2-O 3.02Å; E219-W221 PolarHBondContact O-N 3.1Å
220	K	94.1	Very high	94.4	Very high	193 Å²	193	60 Å²	60	84%	0.839	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-15.4	177.9	-62.1	-177.4	179.9	-178.3	0	113.4	P218	P218-K220 PolarHBondContact O-N 3.24Å
221	W	92.7	Very high	94.4	Very high	99 Å²	99	60.8 Å²	60.8	38%	0.375	30%	0.295	S	S	.	.	S	Bend	trans	-89.6	143.4	-179.8	-70.7	6.7	0	0	0	110.9	R18 I216 P218 E219 K225 Y229	R18-W221 PolarHBondContact NH1-O 3.09Å; R18-W221 PolarHBondContact NH2-O 3.07Å; I216-W221 HydrophobicContact CG2-CH2 3.96Å; I216-W221 HydrophobicContact CG2-CZ3 3.77Å; P218-W221 HydrophobicContact CB-CD2 4.37Å; P218-W221 HydrophobicContact CB-CG 4.19Å; P218-W221 VanDerWaalsContact CD-CD2 3.5Å; P218-W221 VanDerWaalsContact CD-CE3 3.4Å; P218-W221 HydrophobicContact CG-CD2 3.7Å; P218-W221 HydrophobicContact CG-CE3 4.01Å; P218-W221 HydrophobicContact CG-CG 4.04Å; P218-W221 HydrophobicContact CG-CH2 4.47Å; P218-W221 HydrophobicContact CG-CZ2 4.2Å; P218-W221 HydrophobicContact CG-CZ3 4.38Å; P218-W221 WeakPolarHBondContact O-CB 3.5Å; P218-W221 PolarHBondContact O-N 3.02Å; E219-W221 PolarHBondContact O-N 3.1Å; W221-K225 HydrophobicContact CB-CB 4.37Å; W221-K225 HydrophobicContact CE3-CB 4.05Å; W221-Y229 HydrophobicContact CZ3-CE2 4.29Å
222	P	94.7	Very high	94.4	Very high	70 Å²	70	66.5 Å²	66.5	46%	0.455	32%	0.321	S	S	.	.			trans	-60.4	148.2	165.9	28.8	-35	0	0	0	109.7	S224 K225	P222-S224 PolarHBondContact O-N 2.99Å; P222-S224 VanDerWaalsContact O-N 3.12Å; P222-K225 HydrophobicContact CG-CB 4.29Å; P222-K225 HydrophobicContact CG-CD 3.94Å; P222-K225 HydrophobicContact CG-CG 3.91Å; P222-K225 PolarHBondContact O-N 2.92Å
223	L	92	Very high	94.2	Very high	127 Å²	127	66.9 Å²	66.9	67%	0.665	32%	0.323	S	S	*	.	G	3₁₀ helix	trans	-57.4	-29.7	-177.5	-68.4	175.1	0	0	0	112.9	K225 C226	L223-K225 PolarHBondContact O-N 3.24Å; L223-C226 WeakPolarHBondContact O-CB 3.4Å; L223-C226 PolarHBondContact O-N 3.49Å
224	S	93.4	Very high	94	Very high	113 Å²	113	68.7 Å²	68.7	79%	0.79	34%	0.335	S	S	*	.	G	3₁₀ helix	trans	-63.6	-21.3	176.4	56	0	0	0	0	114.4	P222	P222-S224 PolarHBondContact O-N 2.99Å; P222-S224 VanDerWaalsContact O-N 3.12Å
225	K	94	Very high	93.9	Very high	127 Å²	127	68.4 Å²	68.4	55%	0.552	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-91	-4.7	174.8	-71.3	-172.3	-178	-175.8	0	112.9	W221 P222 L223 N227 Y229	W221-K225 HydrophobicContact CB-CB 4.37Å; W221-K225 HydrophobicContact CE3-CB 4.05Å; P222-K225 HydrophobicContact CG-CB 4.29Å; P222-K225 HydrophobicContact CG-CD 3.94Å; P222-K225 HydrophobicContact CG-CG 3.91Å; P222-K225 PolarHBondContact O-N 2.92Å; L223-K225 PolarHBondContact O-N 3.24Å; K225-N227 PolarHBondContact O-N 3.45Å; K225-Y229 PolarHBondContact O-OH 3.16Å
226	C	94.9	Very high	93.7	Very high	15 Å²	15	67.9 Å²	67.9	10%	0.101	33%	0.333	C	S	.	.			trans	-78.4	110.7	178.2	-65	0	0	0	0	109.9	Y215 I216 C217 L223	Y215-C226 HydrophobicContact CE2-CB 4.39Å; Y215-C226 WeakPolarHBondContact OH-CB 3.27Å; I216-C226 WeakPolarHBondContact O-CA 3.3Å; C217-C226 WeakPolarHBondContact CA-SG 3.46Å; C217-C226 HydrophobicContact CB-CB 3.49Å; C217-C226 VanDerWaalsContact CB-CB 3.49Å; C217-C226 WeakPolarHBondContact CB-SG 3.07Å; C217-C226 WeakPolarHBondContact SG-CB 3.34Å; C217-C226 CovalentContact SG-SG 2.03Å; C217-C226 PolarHBondContact SG-SG 3.37Å; L223-C226 WeakPolarHBondContact O-CB 3.4Å; L223-C226 PolarHBondContact O-N 3.49Å
227	N	95.6	Very high	93.5	Very high	82 Å²	82	68 Å²	68	44%	0.439	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	169.6	-172.9	-158	4.7	0	0	0	112.1	Y215 I216 K225 Y229	Y215-N227 WeakPolarHBondContact CA-O 3.37Å; Y215-N227 VanDerWaalsContact CD2-C 3.44Å; Y215-N227 WeakPolarHBondContact CD2-O 3.31Å; I216-N227 PolarHBondContact N-O 3.46Å; I216-N227 PolarHBondContact O-N 2.78Å; K225-N227 PolarHBondContact O-N 3.45Å; N227-Y229 HydrophobicContact CB-CE2 3.91Å; N227-Y229 WeakPolarHBondContact O-CD2 3.29Å; N227-Y229 VanDerWaalsContact O-CE2 3.22Å; N227-Y229 WeakPolarHBondContact O-CE2 3.45Å
228	W	96.3	Very high	93.4	Very high	10 Å²	10	70.1 Å²	70.1	4%	0.038	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	124.8	167.5	-71.7	104.2	0	0	0	110.1	F20 V24 L25 M31 L34 K175 W177 L213 Y215	F20-W228 AromaticContact CE2-CH2 3.91Å; F20-W228 HydrophobicContact CE2-CH2 3.91Å; F20-W228 AromaticContact CE2-CZ2 3.73Å; F20-W228 HydrophobicContact CE2-CZ2 3.73Å; F20-W228 HydrophobicContact CZ-CH2 4.23Å; F20-W228 AromaticContact CZ-CZ2 3.97Å; F20-W228 HydrophobicContact CZ-CZ2 3.97Å; V24-W228 PolarHBondContact O-NE1 3.2Å; V24-W228 VanDerWaalsContact O-NE1 3.1Å; L25-W228 HydrophobicContact CD1-CH2 4.34Å; L25-W228 HydrophobicContact CD1-CZ2 3.9Å; M31-W228 HydrophobicContact CE-CD2 3.84Å; M31-W228 HydrophobicContact CE-CE3 3.98Å; M31-W228 HydrophobicContact CE-CG 4.45Å; M31-W228 HydrophobicContact CE-CH2 4.05Å; M31-W228 HydrophobicContact CE-CZ2 3.91Å; M31-W228 HydrophobicContact CE-CZ3 4.08Å; M31-W228 HydrophobicContact SD-CD2 4.47Å; L34-W228 HydrophobicContact CD2-CB 3.4Å; L34-W228 HydrophobicContact CD2-CG 4.09Å; K175-W228 VanDerWaalsContact O-CZ3 3.31Å; K175-W228 WeakPolarHBondContact O-CZ3 3Å; W177-W228 HydrophobicContact CB-CH2 4.14Å; W177-W228 HydrophobicContact CB-CZ3 3.89Å; L213-W228 HydrophobicContact CB-CE3 3.81Å; L213-W228 HydrophobicContact CB-CZ3 4.36Å; Y215-W228 HydrophobicContact CD2-CD2 4.07Å; Y215-W228 HydrophobicContact CD2-CG 4.09Å; Y215-W228 AromaticContact CD2-NE1 3.97Å; Y215-W228 HydrophobicContact CG-CD2 4.44Å
229	Y	94.9	Very high	93.3	Very high	85 Å²	85	70.2 Å²	70.2	33%	0.333	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	142.2	179.3	-63.8	-88.3	0	0	0	110.3	L213 R214 I216 W221 K225 N227	L213-Y229 CarbonylContact C-O 3.55Å; L213-Y229 WeakPolarHBondContact CA-O 3.4Å; R214-Y229 PolarHBondContact N-O 3.25Å; R214-Y229 PolarHBondContact O-N 3.44Å; I216-Y229 HydrophobicContact CB-CD2 3.76Å; I216-Y229 HydrophobicContact CB-CE2 3.9Å; I216-Y229 HydrophobicContact CD1-CD2 3.82Å; I216-Y229 HydrophobicContact CD1-CG 4.24Å; I216-Y229 HydrophobicContact CG1-CD2 3.99Å; W221-Y229 HydrophobicContact CZ3-CE2 4.29Å; K225-Y229 PolarHBondContact O-OH 3.16Å; N227-Y229 HydrophobicContact CB-CE2 3.91Å; N227-Y229 WeakPolarHBondContact O-CD2 3.29Å; N227-Y229 VanDerWaalsContact O-CE2 3.22Å; N227-Y229 WeakPolarHBondContact O-CE2 3.45Å
230	R	94.7	Very high	93.1	Very high	139 Å²	139	66 Å²	66	53%	0.525	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	128.4	170.6	-66.1	-179.9	-165.4	153.1	2.8	109.5	L34 I212 L213	L34-R230 PolarHBondContact O-NE 3.17Å; L34-R230 PolarHBondContact O-NH2 3.27Å; I212-R230 CarbonylContact O-C 3.49Å; I212-R230 VanDerWaalsContact O-CA 3.32Å; I212-R230 WeakPolarHBondContact O-CA 3.33Å; L213-R230 HydrophobicContact CD2-CG 3.69Å
231	V	92.9	Very high	93.1	Very high	28 Å²	28	58 Å²	58	17%	0.17	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	132.5	175.3	179.3	0	0	0	0	107.4	I212 R214 L233	I212-V231 HydrophobicContact CG1-CB 4.28Å; I212-V231 WeakPolarHBondContact CG1-O 3.28Å; I212-V231 PolarHBondContact N-O 2.97Å; I212-V231 PolarHBondContact O-N 3.03Å; R214-V231 HydrophobicContact CB-CG2 3.8Å; V231-L233 HydrophobicContact CG1-CD2 4.49Å
232	H	92.4	Very high	93.1	Very high	122 Å²	122	56.9 Å²	56.9	57%	0.565	30%	0.295	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.9	132.5	175.9	-67.2	-83.1	0	0	0	110.3	I210	I210-H232 CarbonylContact O-C 3.54Å; I210-H232 VanDerWaalsContact O-CA 3.23Å; I210-H232 WeakPolarHBondContact O-CA 3.26Å
233	L	90.7	Very high	92.8	Very high	8 Å²	8	58 Å²	58	4%	0.042	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	129.4	174.9	-64.6	-177.7	0	0	0	110.7	I11 L172 I181 I210 I212 V231	I11-L233 HydrophobicContact CD1-CD1 4.3Å; I11-L233 HydrophobicContact CD1-CD2 3.83Å; I11-L233 HydrophobicContact CG1-CD2 3.54Å; L172-L233 HydrophobicContact CD1-CD1 4.35Å; I181-L233 HydrophobicContact CG2-CD1 4.47Å; I210-L233 HydrophobicContact CD1-CB 4.34Å; I210-L233 HydrophobicContact CG1-CB 3.9Å; I210-L233 WeakPolarHBondContact CG1-O 3.4Å; I210-L233 PolarHBondContact N-O 2.99Å; I210-L233 PolarHBondContact O-N 2.82Å; I212-L233 HydrophobicContact CD1-CD1 3.38Å; I212-L233 HydrophobicContact CD1-CG 3.9Å; I212-L233 HydrophobicContact CG1-CD1 3.98Å; I212-L233 HydrophobicContact CG1-CG 4.07Å; I212-L233 HydrophobicContact CG2-CD1 4.36Å; V231-L233 HydrophobicContact CG1-CD2 4.49Å
234	P	92.3	Very high	92	Very high	40 Å²	40	55.6 Å²	55.6	26%	0.26	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	121.6	171.7	30.1	-30.8	0	0	0	110.3	I207	I207-P234 HydrophobicContact CG2-CB 3.39Å
235	I	91.9	Very high	90.5	Very high	3 Å²	3	53.8 Å²	53.8	2%	0.015	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	127.7	173	-68.5	179.2	0	0	0	109.2	F44 I181 K182 I207 E208 I210 T237	F44-I235 HydrophobicContact CB-CD1 3.73Å; F44-I235 HydrophobicContact CD1-CD1 4.18Å; F44-I235 HydrophobicContact CD1-CG2 3.92Å; F44-I235 HydrophobicContact CE1-CG2 4Å; F44-I235 HydrophobicContact CG-CD1 4.01Å; I181-I235 HydrophobicContact CG2-CD1 4.14Å; K182-I235 WeakPolarHBondContact O-CD1 3.34Å; I207-I235 CarbonylContact C-O 3.6Å; I207-I235 VanDerWaalsContact CA-O 3.31Å; I207-I235 WeakPolarHBondContact CA-O 3.42Å; E208-I235 PolarHBondContact N-O 3.27Å; E208-I235 PolarHBondContact O-N 3.31Å; I210-I235 HydrophobicContact CB-CD1 4.38Å; I210-I235 HydrophobicContact CD1-CD1 3.23Å; I210-I235 HydrophobicContact CD1-CG1 4.11Å; I210-I235 HydrophobicContact CG1-CD1 3.58Å; I210-I235 HydrophobicContact CG1-CG1 4.03Å; I210-I235 HydrophobicContact CG2-CD1 3.93Å; I235-T237 HydrophobicContact CG2-CG2 4.36Å; I235-T237 PolarHBondContact O-N 3.06Å
236	V	91.9	Very high	88.3	Confident	14 Å²	14	57.8 Å²	57.8	9%	0.085	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	123.3	173.2	-172.1	0	0	0	0	109.6	L165 G184 E204	L165-V236 HydrophobicContact CD1-CB 4.31Å; L165-V236 HydrophobicContact CD1-CG1 3.86Å; G184-V236 WeakPolarHBondContact CA-O 3.29Å; G184-V236 WeakPolarHBondContact O-CB 3.43Å; G184-V236 WeakPolarHBondContact O-CG2 3.38Å; E204-V236 HydrophobicContact CB-CG1 3.99Å; E204-V236 HydrophobicContact CB-CG2 4.29Å; E204-V236 HydrophobicContact CG-CB 4.2Å; E204-V236 HydrophobicContact CG-CG1 3.71Å; E204-V236 HydrophobicContact CG-CG2 3.39Å
237	T	90.7	Very high	85.7	Confident	22 Å²	22	61.1 Å²	61.1	14%	0.135	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	-18.7	179.7	58.8	0	0	0	0	113.2	F44 L165 N206 E208 I235	F44-T237 HydrophobicContact CE1-CG2 4.41Å; F44-T237 HydrophobicContact CZ-CG2 3.87Å; L165-T237 VanDerWaalsContact CD2-O 3.29Å; L165-T237 WeakPolarHBondContact CD2-O 3.33Å; N206-T237 PolarHBondContact O-N 3.41Å; N206-T237 PolarHBondContact O-OG1 3.13Å; E208-T237 HydrophobicContact CB-CG2 3.94Å; E208-T237 HydrophobicContact CG-CG2 3.75Å; I235-T237 HydrophobicContact CG2-CG2 4.36Å; I235-T237 PolarHBondContact O-N 3.06Å
238	E	91.4	Very high	83.3	Confident	52 Å²	52	63.7 Å²	63.7	24%	0.243	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	147.1	175.2	-163.4	-178.6	175.8	0	0	111	K205 N206	K205-E238 HydrophobicContact CB-CB 4.24Å; K205-E238 HydrophobicContact CB-CG 4.34Å; K205-E238 HydrophobicContact CD-CG 4.16Å; K205-E238 VanDerWaalsContact CE-OE2 3.29Å; K205-E238 WeakPolarHBondContact CE-OE2 3.35Å; K205-E238 PolarHBondContact N-O 3.39Å; K205-E238 IonicContact NZ-OE1 2.75Å; K205-E238 PolarHBondContact NZ-OE1 3.49Å; K205-E238 IonicContact NZ-OE2 2.93Å; K205-E238 PolarHBondContact NZ-OE2 3.21Å; N206-E238 HydrophobicContact CB-CB 3.79Å; N206-E238 PolarHBondContact N-O 2.84Å; N206-E238 PolarHBondContact ND2-OE2 3.32Å; N206-E238 PolarHBondContact O-N 3.31Å
239	C	92.3	Very high	80.3	Confident	12 Å²	12	70.9 Å²	70.9	8%	0.081	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	152.5	173.6	-60.9	0	0	0	0	110.8	C163 L165 C186 H203	C163-C239 HydrophobicContact CB-CB 3.7Å; L165-C239 WeakPolarHBondContact CD1-SG 3.46Å; C186-C239 WeakPolarHBondContact CA-SG 3.47Å; C186-C239 HydrophobicContact CB-CB 3.84Å; C186-C239 WeakPolarHBondContact CB-SG 3.38Å; C186-C239 VanDerWaalsContact SG-CA 3.57Å; C186-C239 WeakPolarHBondContact SG-CB 2.99Å; C186-C239 CovalentContact SG-SG 2.03Å; C186-C239 PolarHBondContact SG-SG 3.27Å; H203-C239 CarbonylContact O-C 3.54Å; H203-C239 WeakPolarHBondContact O-CA 3.24Å
240	S	92.2	Very high	77.4	Confident	26 Å²	26	77.7 Å²	77.7	18%	0.182	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	156.2	172.7	62.3	0	0	0	0	112.4	H203 K205 Q242	H203-S240 PolarHBondContact N-O 3.21Å; H203-S240 PolarHBondContact O-N 3.11Å; K205-S240 WeakPolarHBondContact CB-OG 3.24Å; S240-Q242 PolarHBondContact O-N 3.16Å; S240-Q242 WeakPolarHBondContact OG-CG 3.44Å; S240-Q242 PolarHBondContact OG-NE2 2.91Å
241	C	92.6	Very high	74.6	Confident	24 Å²	24	80.1 Å²	80.1	16%	0.162	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	116	174.5	-168.7	0	0	0	0	108.9	C163 C194 M200	C163-C241 PolarHBondContact SG-N 2.96Å; C194-C241 HydrophobicContact CB-CB 3.86Å; C194-C241 WeakPolarHBondContact CB-SG 3.48Å; C194-C241 PolarHBondContact O-SG 2.94Å; C194-C241 WeakPolarHBondContact SG-CA 3.34Å; C194-C241 WeakPolarHBondContact SG-CB 3.45Å; C194-C241 CovalentContact SG-SG 2.03Å; C194-C241 PolarHBondContact SG-SG 3.42Å; M200-C241 WeakPolarHBondContact CB-SG 3.3Å; M200-C241 WeakPolarHBondContact CE-O 3.27Å
242	Q	92.7	Very high	72	Confident	75 Å²	75	86 Å²	86	35%	0.35	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	157.4	-175.9	-62.1	-178.7	10.9	0	0	111.2	M200 Y201 H203 S240	M200-Q242 CarbonylContact C-O 3.38Å; M200-Q242 VanDerWaalsContact CA-O 3.29Å; M200-Q242 WeakPolarHBondContact CA-O 3.47Å; M200-Q242 VanDerWaalsContact CB-O 3.31Å; M200-Q242 WeakPolarHBondContact CB-O 3.16Å; Y201-Q242 PolarHBondContact N-O 2.87Å; Y201-Q242 PolarHBondContact O-N 2.97Å; H203-Q242 HydrophobicContact CB-CB 4.45Å; S240-Q242 PolarHBondContact O-N 3.16Å; S240-Q242 WeakPolarHBondContact OG-CG 3.44Å; S240-Q242 PolarHBondContact OG-NE2 2.91Å
243	C	89.5	Confident	69.5	Low	94 Å²	94	88.2 Å²	88.2	64%	0.635	47%	0.467	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.4	136	171.1	-62.7	0	0	0	0	109.8	S245	C243-S245 PolarHBondContact O-N 3.31Å; C243-S245 VanDerWaalsContact O-N 3.14Å
244	T	75.7	Confident	68.4	Low	76 Å²	76	92.2 Å²	92.2	47%	0.466	49%	0.488	S	S	.	.			trans	-67.2	112.5	169.4	51.4	0	0	0	0	108.7	Y201 K246	Y201-T244 HydrophobicContact CD2-CG2 3.68Å; Y201-T244 HydrophobicContact CE2-CG2 4.42Å; Y201-T244 HydrophobicContact CG-CG2 4.47Å; T244-K246 PolarHBondContact O-N 3.25Å
245	S	61.9	Low	67.1	Low	75 Å²	75	94.9 Å²	94.9	52%	0.524	50%	0.501	S	S	.	.			trans	-62.2	130.5	169	53.6	0	0	0	0	108.7	C243 S247	C243-S245 PolarHBondContact O-N 3.31Å; C243-S245 VanDerWaalsContact O-N 3.14Å; S245-S247 PolarHBondContact O-N 3.08Å; S245-S247 PolarHBondContact OG-OG 2.89Å
246	K	46.1	Very low	65.8	Low	211 Å²	211	100.1 Å²	100.1	92%	0.917	53%	0.527	S	S	*	.	G	3₁₀ helix	trans	-56.1	1.2	178.3	-82	-178.2	174.6	178.9	0	115.2	T244	T244-K246 PolarHBondContact O-N 3.25Å
247	S	42	Very low	64.2	Low	86 Å²	86	105.1 Å²	105.1	60%	0.601	55%	0.554	S	S	*	*	G	3₁₀ helix	trans	-83.7	-9.4	-175.6	51.9	0	0	0	0	115.9	S245	S245-S247 PolarHBondContact O-N 3.08Å; S245-S247 PolarHBondContact OG-OG 2.89Å
248	I	43.5	Very low	62.6	Low	135 Å²	135	110.3 Å²	110.3	69%	0.692	58%	0.58	S	S	*	*	G	3₁₀ helix	trans	-84.3	-13.6	177.5	-63.4	170.3	0	0	0	112.5	R250	I248-R250 PolarHBondContact O-N 3.26Å
249	H	35	Very low	60.7	Low	161 Å²	161	114.2 Å²	114.2	75%	0.745	60%	0.602	S	S	*	*	G	3₁₀ helix	trans	-79	10.8	175.3	-102.8	-66.7	0	0	0	115.4
250	R	32.9	Very low	58.4	Low	228 Å²	228	121.5 Å²	121.5	86%	0.86	64%	0.639	S	S	*	*	G	3₁₀ helix	trans	-100.7	15.6	174.4	-84.2	-168.8	180	174.7	0.3	115.1	I248	I248-R250 PolarHBondContact O-N 3.26Å
251	K	35.9	Very low	55.8	Low	190 Å²	190	128.8 Å²	128.8	83%	0.826	68%	0.675	S	S	*	*	S	Bend	trans	-109.9	-3.5	170.8	-89.8	-169.9	175.6	-176.7	0	116.2
252	D	38.1	Very low	52.7	Low	152 Å²	152	137.6 Å²	137.6	81%	0.813	72%	0.717	S	S	*	*			trans	-133.8	49.5	176.4	-63.1	-41.4	0	0	0	112.1
253	S	39.4	Very low	49.1	Very low	168 Å²	168	143.3 Å²	143.3	100%	1.175	75%	0.751	S	S	*	*			trans	-148.8	0	163.3	-61.2	0	0	0	0	109

Retrieved 253 of 253 residues in 435.6 ms (Link to these results)

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