A0A087XQ13_POEFO Loading...

thiopurine S-methyltransferase

AlphaFold DB , UniProt , Accession A0A087XQ13, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 237 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	L	59.5	Low	80.9	Confident	96 Å²	96	90.6 Å²	90.6	50%	0.503	45%	0.453	S	S	.	.				0	-62.7	0	-158.4	76.7	0	0	0	113.2	R3 M4 L5 P189 E191	L1-R3 PolarHBondContact O-N 3.11Å; L1-M4 WeakPolarHBondContact O-CB 3.32Å; L1-M4 PolarHBondContact O-N 3.21Å; L1-L5 PolarHBondContact O-N 3.42Å; L1-P189 HydrophobicContact CD1-CB 4.12Å; L1-P189 HydrophobicContact CD1-CG 3.94Å; L1-E191 WeakPolarHBondContact CD1-OE2 2.99Å; L1-E191 HydrophobicContact CD2-CB 3.39Å; L1-E191 HydrophobicContact CD2-CG 3.66Å
2	G	68.2	Low	81.9	Confident	44 Å²	44	85.3 Å²	85.3	45%	0.454	43%	0.429	S	S	.	.	H	α-helix	trans	-50	-50.1	-179.4	0	0	0	0	0	114.1	M4 L5 E6	G2-M4 PolarHBondContact O-N 2.72Å; G2-L5 PolarHBondContact O-N 3.41Å; G2-E6 WeakPolarHBondContact O-CG 3.39Å; G2-E6 PolarHBondContact O-N 2.88Å
3	R	71.2	Confident	82.7	Confident	204 Å²	204	79.3 Å²	79.3	77%	0.77	40%	0.399	S	S	*	.	H	α-helix	trans	-58.8	-29.3	176.1	-62	-171.8	-153	180	5.8	114.9	L1 Q7	L1-R3 PolarHBondContact O-N 3.11Å; R3-Q7 WeakPolarHBondContact O-CG 3.05Å
4	M	76.4	Confident	83.3	Confident	66 Å²	66	80.6 Å²	80.6	33%	0.325	40%	0.403	S	S	.	.	H	α-helix	trans	-78.3	-36.8	-179.8	-69.4	174.9	76.3	0	0	111.3	L1 G2 P178 F187	L1-M4 WeakPolarHBondContact O-CB 3.32Å; L1-M4 PolarHBondContact O-N 3.21Å; G2-M4 PolarHBondContact O-N 2.72Å; M4-P178 HydrophobicContact CB-CG 3.88Å; M4-P178 HydrophobicContact CE-CG 4.18Å; M4-P178 HydrophobicContact CG-CG 4.37Å; M4-P178 WeakPolarHBondContact O-CG 3.29Å; M4-F187 HydrophobicContact CB-CE1 4.19Å; M4-F187 HydrophobicContact CE-CE1 4Å; M4-F187 HydrophobicContact CE-CZ 3.82Å
5	L	78.6	Confident	83.6	Confident	48 Å²	48	81 Å²	81	25%	0.251	41%	0.406	S	S	.	.	H	α-helix	trans	-69.9	-35.5	174.1	-66.4	175.9	0	0	0	111.5	L1 G2 Q7 Q8 A9 F187 P189	L1-L5 PolarHBondContact O-N 3.42Å; G2-L5 PolarHBondContact O-N 3.41Å; L5-Q7 PolarHBondContact O-N 3.48Å; L5-Q8 PolarHBondContact O-N 2.79Å; L5-A9 PolarHBondContact O-N 2.92Å; L5-F187 HydrophobicContact CD2-CD1 4.34Å; L5-P189 HydrophobicContact CD2-CG 3.92Å
6	E	84.3	Confident	84.1	Confident	133 Å²	133	81.1 Å²	81.1	62%	0.621	42%	0.417	S	S	*	.	H	α-helix	trans	-59	-31.5	176	-75.6	165.5	-166.8	0	0	113	G2 Q8 A9	G2-E6 WeakPolarHBondContact O-CG 3.39Å; G2-E6 PolarHBondContact O-N 2.88Å; E6-Q8 PolarHBondContact O-N 2.75Å; E6-Q8 VanDerWaalsContact O-N 3.15Å; E6-A9 PolarHBondContact O-N 2.61Å
7	Q	87.5	Confident	84.6	Confident	103 Å²	103	80.4 Å²	80.4	48%	0.481	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-30	-178.4	-67.1	-59.1	-17.4	0	0	113.9	R3 L5 P178 E179	R3-Q7 WeakPolarHBondContact O-CG 3.05Å; L5-Q7 PolarHBondContact O-N 3.48Å; Q7-P178 HydrophobicContact CB-CB 4.35Å; Q7-E179 HydrophobicContact CG-CG 4.01Å
8	Q	92.1	Very high	85.1	Confident	7 Å²	7	77.8 Å²	77.8	3%	0.033	40%	0.396	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.2	-5.3	-177.3	-64.2	179.5	-11.7	0	0	112.4	L5 E6 D10 R11 P149 Y176 P178 Y181 F186	L5-Q8 PolarHBondContact O-N 2.79Å; E6-Q8 PolarHBondContact O-N 2.75Å; E6-Q8 VanDerWaalsContact O-N 3.15Å; Q8-D10 VanDerWaalsContact C-N 3.28Å; Q8-D10 PolarHBondContact O-N 3Å; Q8-D10 VanDerWaalsContact O-N 3.12Å; Q8-R11 VanDerWaalsContact O-CB 3.29Å; Q8-R11 WeakPolarHBondContact O-CB 3.17Å; Q8-R11 PolarHBondContact O-N 2.93Å; Q8-P149 HydrophobicContact CB-CG 4.35Å; Q8-P149 WeakPolarHBondContact O-CG 3.47Å; Q8-Y176 PolarHBondContact NE2-OH 3.47Å; Q8-P178 HydrophobicContact CG-CB 4.24Å; Q8-Y181 PolarHBondContact NE2-O 2.83Å; Q8-F186 HydrophobicContact CB-CD1 4.26Å; Q8-F186 HydrophobicContact CG-CD1 4.5Å
9	A	88.6	Confident	85.4	Confident	41 Å²	41	75.8 Å²	75.8	34%	0.339	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-40.3	-167.9	0	0	0	0	0	114.2	L5 E6	L5-A9 PolarHBondContact O-N 2.92Å; E6-A9 PolarHBondContact O-N 2.61Å
10	D	91.1	Very high	85.8	Confident	157 Å²	157	76.7 Å²	76.7	84%	0.84	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.1	-0.3	-179.2	-62.7	-38.4	0	0	0	113.6	Q8 V12	Q8-D10 VanDerWaalsContact C-N 3.28Å; Q8-D10 PolarHBondContact O-N 3Å; Q8-D10 VanDerWaalsContact O-N 3.12Å; D10-V12 PolarHBondContact O-N 3.36Å
11	R	92.2	Very high	86.2	Confident	98 Å²	98	76.7 Å²	76.7	37%	0.37	39%	0.387	S	S	.	.			trans	-73.2	123.7	180	-177	59	-178.4	151.3	12.4	109.6	Q8 E17 P149 F186	Q8-R11 VanDerWaalsContact O-CB 3.29Å; Q8-R11 WeakPolarHBondContact O-CB 3.17Å; Q8-R11 PolarHBondContact O-N 2.93Å; R11-E17 IonicContact NH2-OE2 3.39Å; R11-P149 WeakPolarHBondContact O-CD 3.46Å; R11-F186 HydrophobicContact CB-CE1 3.86Å; R11-F186 HydrophobicContact CB-CZ 4.4Å; R11-F186 HydrophobicContact CG-CE1 3.54Å; R11-F186 HydrophobicContact CG-CZ 3.93Å
12	V	93.4	Very high	87.9	Confident	27 Å²	27	72.5 Å²	72.5	16%	0.164	36%	0.364	C	S	.	.			trans	-116.9	137.3	176.3	-177.3	0	0	0	0	109.6	D10 E14	D10-V12 PolarHBondContact O-N 3.36Å; V12-E14 HydrophobicContact CG1-CG 4.37Å; V12-E14 WeakPolarHBondContact CG1-OE1 3.21Å
13	M	91.9	Very high	89.1	Confident	7 Å²	7	77.5 Å²	77.5	3%	0.034	38%	0.376	C	S	.	.			trans	-116	101.2	175.5	-171.1	73.8	-111.4	0	0	107	E17 W18 N148 P184	M13-E17 HydrophobicContact CE-CB 2.97Å; M13-E17 HydrophobicContact CE-CG 3.83Å; M13-E17 WeakPolarHBondContact CE-OE2 3.3Å; M13-W18 HydrophobicContact CG-CD2 4.25Å; M13-W18 VanDerWaalsContact CG-CE2 3.45Å; M13-W18 HydrophobicContact CG-CG 4.42Å; M13-W18 HydrophobicContact CG-CZ2 3.78Å; M13-N148 WeakPolarHBondContact CB-OD1 3.05Å; M13-N148 PolarHBondContact N-OD1 3.01Å; M13-P184 HydrophobicContact CG-CG 4.06Å; M13-P184 VanDerWaalsContact SD-CD 3.57Å; M13-P184 HydrophobicContact SD-CG 3.7Å
14	E	90.6	Very high	90.3	Very high	98 Å²	98	72 Å²	72	46%	0.458	36%	0.359	S	S	.	.			trans	-74.1	152.7	-176.9	-65	-64.1	159.6	0	0	111.9	V12 S16 E17 W18	V12-E14 HydrophobicContact CG1-CG 4.37Å; V12-E14 WeakPolarHBondContact CG1-OE1 3.21Å; E14-S16 PolarHBondContact O-N 2.92Å; E14-E17 HydrophobicContact CB-CG 4.49Å; E14-E17 PolarHBondContact O-N 3.28Å; E14-E17 VanDerWaalsContact O-N 3.08Å; E14-W18 PolarHBondContact O-N 2.95Å
15	L	89.1	Confident	91.1	Very high	86 Å²	86	74.1 Å²	74.1	45%	0.45	37%	0.371	S	S	.	.	H	α-helix	trans	-60.1	-30.1	178.2	-69.7	172	0	0	0	112.9	W18 S19 F80	L15-W18 PolarHBondContact O-N 3.07Å; L15-S19 PolarHBondContact O-N 3.06Å; L15-S19 PolarHBondContact O-OG 2.8Å; L15-F80 HydrophobicContact CD2-CD1 4.35Å; L15-F80 HydrophobicContact CD2-CD2 4.48Å; L15-F80 HydrophobicContact CD2-CG 4.16Å
16	S	90.8	Very high	91.8	Very high	82 Å²	82	77.6 Å²	77.6	57%	0.573	39%	0.385	S	S	*	.	H	α-helix	trans	-65.9	-38.8	175.4	53.9	0	0	0	0	112.2	E14 S19 Q20	E14-S16 PolarHBondContact O-N 2.92Å; S16-S19 WeakPolarHBondContact O-CB 3.43Å; S16-S19 PolarHBondContact O-N 3.11Å; S16-Q20 PolarHBondContact O-N 2.89Å
17	E	92.5	Very high	92.2	Very high	69 Å²	69	72 Å²	72	32%	0.322	36%	0.359	S	S	.	.	H	α-helix	trans	-70.6	-35.4	176.6	-66.6	-178.2	-147.6	0	0	111.1	R11 M13 E14 Q20 R21	R11-E17 IonicContact NH2-OE2 3.39Å; M13-E17 HydrophobicContact CE-CB 2.97Å; M13-E17 HydrophobicContact CE-CG 3.83Å; M13-E17 WeakPolarHBondContact CE-OE2 3.3Å; E14-E17 HydrophobicContact CB-CG 4.49Å; E14-E17 PolarHBondContact O-N 3.28Å; E14-E17 VanDerWaalsContact O-N 3.08Å; E17-Q20 PolarHBondContact O-N 3.36Å; E17-R21 WeakPolarHBondContact O-CG 3.49Å; E17-R21 PolarHBondContact O-N 3.28Å
18	W	93	Very high	92.4	Very high	35 Å²	35	68.8 Å²	68.8	13%	0.133	35%	0.354	C	S	.	.	H	α-helix	trans	-64.3	-41.7	170	-76.6	117.8	0	0	0	112.1	M13 E14 L15 Q20 R21 W22 F29 F80 A146 P184	M13-W18 HydrophobicContact CG-CD2 4.25Å; M13-W18 VanDerWaalsContact CG-CE2 3.45Å; M13-W18 HydrophobicContact CG-CG 4.42Å; M13-W18 HydrophobicContact CG-CZ2 3.78Å; E14-W18 PolarHBondContact O-N 2.95Å; L15-W18 PolarHBondContact O-N 3.07Å; W18-Q20 VanDerWaalsContact C-N 3.31Å; W18-Q20 PolarHBondContact O-N 3.05Å; W18-R21 PolarHBondContact O-N 3.44Å; W18-W22 PolarHBondContact O-N 3.29Å; W18-F29 HydrophobicContact CE3-CE1 4.46Å; W18-F29 HydrophobicContact CZ3-CD1 4.2Å; W18-F29 AromaticContact CZ3-CE1 3.86Å; W18-F29 HydrophobicContact CZ3-CE1 3.86Å; W18-F80 HydrophobicContact CB-CE1 3.55Å; W18-F80 HydrophobicContact CB-CE2 4.36Å; W18-F80 HydrophobicContact CB-CZ 3.36Å; W18-F80 HydrophobicContact CG-CE1 4.24Å; W18-F80 HydrophobicContact CG-CZ 4.47Å; W18-A146 HydrophobicContact CH2-CB 4.15Å; W18-A146 HydrophobicContact CZ2-CB 3.83Å; W18-P184 HydrophobicContact CH2-CB 4.2Å; W18-P184 HydrophobicContact CH2-CG 3.77Å; W18-P184 HydrophobicContact CZ2-CB 4.16Å; W18-P184 HydrophobicContact CZ2-CG 3.74Å
19	S	91.4	Very high	92.4	Very high	40 Å²	40	71.4 Å²	71.4	28%	0.28	37%	0.365	S	S	.	.	H	α-helix	trans	-56.7	-46.7	173.7	-60.2	0	0	0	0	111.1	L15 S16 R21 W22 Q23 F80	L15-S19 PolarHBondContact O-N 3.06Å; L15-S19 PolarHBondContact O-OG 2.8Å; S16-S19 WeakPolarHBondContact O-CB 3.43Å; S16-S19 PolarHBondContact O-N 3.11Å; S19-R21 VanDerWaalsContact C-N 3.35Å; S19-R21 PolarHBondContact O-N 2.95Å; S19-W22 PolarHBondContact O-N 2.9Å; S19-Q23 WeakPolarHBondContact O-CG 3.13Å; S19-Q23 PolarHBondContact O-N 3.15Å; S19-F80 WeakPolarHBondContact OG-CE2 3.39Å
20	Q	93.9	Very high	92.8	Very high	92 Å²	92	71.4 Å²	71.4	43%	0.43	36%	0.358	S	S	.	.	H	α-helix	trans	-61.8	-41.1	178.8	-175.5	177.3	8.2	0	0	111.9	S16 E17 W18 W22 Q23 E24	S16-Q20 PolarHBondContact O-N 2.89Å; E17-Q20 PolarHBondContact O-N 3.36Å; W18-Q20 VanDerWaalsContact C-N 3.31Å; W18-Q20 PolarHBondContact O-N 3.05Å; Q20-W22 VanDerWaalsContact C-N 3.32Å; Q20-W22 PolarHBondContact O-N 2.89Å; Q20-Q23 PolarHBondContact O-N 3.01Å; Q20-E24 HydrophobicContact CG-CG 4.11Å; Q20-E24 WeakPolarHBondContact CG-OE1 3.26Å; Q20-E24 PolarHBondContact NE2-OE1 2.82Å; Q20-E24 WeakPolarHBondContact O-CB 3.44Å; Q20-E24 WeakPolarHBondContact O-CG 3.29Å; Q20-E24 PolarHBondContact O-N 3.09Å
21	R	94.8	Very high	93	Very high	78 Å²	78	67.2 Å²	67.2	29%	0.294	33%	0.334	S	S	.	.	H	α-helix	trans	-59.5	-42.9	176.8	-76.6	174.9	172.3	-100.2	6.7	112.4	E17 W18 S19 N25 K26	E17-R21 WeakPolarHBondContact O-CG 3.49Å; E17-R21 PolarHBondContact O-N 3.28Å; W18-R21 PolarHBondContact O-N 3.44Å; S19-R21 VanDerWaalsContact C-N 3.35Å; S19-R21 PolarHBondContact O-N 2.95Å; R21-N25 PolarHBondContact O-N 3.14Å; R21-K26 HydrophobicContact CB-CB 4.36Å; R21-K26 HydrophobicContact CG-CB 4.36Å; R21-K26 PolarHBondContact O-N 3.18Å
22	W	94.6	Very high	93.1	Very high	8 Å²	8	67.6 Å²	67.6	3%	0.03	35%	0.349	C	S	.	.	H	α-helix	trans	-62.1	-50.8	174.3	-85.7	112.1	0	0	0	110.6	W18 S19 Q20 E24 N25 I27 F29 K61 M83 A84	W18-W22 PolarHBondContact O-N 3.29Å; S19-W22 PolarHBondContact O-N 2.9Å; Q20-W22 VanDerWaalsContact C-N 3.32Å; Q20-W22 PolarHBondContact O-N 2.89Å; W22-E24 VanDerWaalsContact C-N 3.31Å; W22-E24 PolarHBondContact O-N 2.78Å; W22-N25 PolarHBondContact O-N 2.97Å; W22-I27 HydrophobicContact CD2-CG2 3.8Å; W22-I27 HydrophobicContact CE3-CG2 3.56Å; W22-I27 HydrophobicContact CG-CG2 4.38Å; W22-I27 HydrophobicContact CH2-CG2 4.31Å; W22-I27 HydrophobicContact CZ3-CB 4.49Å; W22-I27 HydrophobicContact CZ3-CD1 4.01Å; W22-I27 HydrophobicContact CZ3-CG2 3.83Å; W22-F29 HydrophobicContact CH2-CE2 4.27Å; W22-F29 AromaticContact CZ2-CE2 3.77Å; W22-F29 HydrophobicContact CZ2-CE2 3.77Å; W22-F29 AromaticContact CZ2-CZ 3.96Å; W22-F29 HydrophobicContact CZ2-CZ 3.96Å; W22-K61 HydrophobicContact CH2-CB 4.41Å; W22-K61 HydrophobicContact CH2-CD 4.01Å; W22-K61 HydrophobicContact CH2-CG 3.93Å; W22-K61 HydrophobicContact CZ3-CD 3.99Å; W22-K61 HydrophobicContact CZ3-CG 4.42Å; W22-M83 HydrophobicContact CB-CE 3.53Å; W22-M83 HydrophobicContact CE3-CE 4.24Å; W22-M83 HydrophobicContact CG-CE 4.45Å; W22-M83 WeakPolarHBondContact O-CE 3.4Å; W22-A84 HydrophobicContact CD2-CB 3.84Å; W22-A84 VanDerWaalsContact CE2-CB 3.49Å; W22-A84 HydrophobicContact CE3-CB 3.92Å; W22-A84 HydrophobicContact CH2-CB 3.44Å; W22-A84 VanDerWaalsContact CH2-CB 3.44Å; W22-A84 HydrophobicContact CZ2-CB 3.31Å; W22-A84 HydrophobicContact CZ3-CB 3.74Å
23	Q	94.1	Very high	93.3	Very high	149 Å²	149	73.6 Å²	73.6	70%	0.696	38%	0.375	S	S	*	.	H	α-helix	trans	-59.5	-39.3	-178.9	-71.2	172.1	-0.7	0	0	113.2	S19 Q20 N25	S19-Q23 WeakPolarHBondContact O-CG 3.13Å; S19-Q23 PolarHBondContact O-N 3.15Å; Q20-Q23 PolarHBondContact O-N 3.01Å; Q23-N25 VanDerWaalsContact C-N 3.26Å; Q23-N25 PolarHBondContact O-N 3.21Å
24	E	95.6	Very high	93.6	Very high	87 Å²	87	74.7 Å²	74.7	41%	0.407	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	5.9	179.5	-64.5	179.8	172.2	0	0	113.1	Q20 W22 K26	Q20-E24 HydrophobicContact CG-CG 4.11Å; Q20-E24 WeakPolarHBondContact CG-OE1 3.26Å; Q20-E24 PolarHBondContact NE2-OE1 2.82Å; Q20-E24 WeakPolarHBondContact O-CB 3.44Å; Q20-E24 WeakPolarHBondContact O-CG 3.29Å; Q20-E24 PolarHBondContact O-N 3.09Å; W22-E24 VanDerWaalsContact C-N 3.31Å; W22-E24 PolarHBondContact O-N 2.78Å; E24-K26 HydrophobicContact CB-CD 4.19Å; E24-K26 HydrophobicContact CB-CG 4.04Å; E24-K26 PolarHBondContact O-N 2.98Å; E24-K26 VanDerWaalsContact O-N 3.11Å; E24-K26 VanDerWaalsContact OE2-CD 3.3Å; E24-K26 WeakPolarHBondContact OE2-CD 3.26Å; E24-K26 WeakPolarHBondContact OE2-CE 3.25Å; E24-K26 IonicContact OE2-NZ 3.18Å; E24-K26 PolarHBondContact OE2-NZ 3.08Å
25	N	92.7	Very high	93.9	Very high	111 Å²	111	70.1 Å²	70.1	59%	0.594	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.1	29.1	-174.7	-162.1	41.1	0	0	0	113.5	R21 W22 Q23 I27	R21-N25 PolarHBondContact O-N 3.14Å; W22-N25 PolarHBondContact O-N 2.97Å; Q23-N25 VanDerWaalsContact C-N 3.26Å; Q23-N25 PolarHBondContact O-N 3.21Å; N25-I27 PolarHBondContact O-N 2.87Å; N25-I27 VanDerWaalsContact OD1-CD1 3.31Å; N25-I27 WeakPolarHBondContact OD1-CD1 3.26Å; N25-I27 WeakPolarHBondContact OD1-CG1 3.4Å
26	K	93.3	Very high	94.3	Very high	121 Å²	121	68.5 Å²	68.5	53%	0.526	36%	0.357	S	S	.	.			trans	-82.5	48.6	173.9	-69.1	179.8	178.9	163.6	0	111	R21 E24 G28	R21-K26 HydrophobicContact CB-CB 4.36Å; R21-K26 HydrophobicContact CG-CB 4.36Å; R21-K26 PolarHBondContact O-N 3.18Å; E24-K26 HydrophobicContact CB-CD 4.19Å; E24-K26 HydrophobicContact CB-CG 4.04Å; E24-K26 PolarHBondContact O-N 2.98Å; E24-K26 VanDerWaalsContact O-N 3.11Å; E24-K26 VanDerWaalsContact OE2-CD 3.3Å; E24-K26 WeakPolarHBondContact OE2-CD 3.26Å; E24-K26 WeakPolarHBondContact OE2-CE 3.25Å; E24-K26 IonicContact OE2-NZ 3.18Å; E24-K26 PolarHBondContact OE2-NZ 3.08Å; K26-G28 PolarHBondContact O-N 3.49Å
27	I	93.1	Very high	94.7	Very high	15 Å²	15	64.7 Å²	64.7	8%	0.077	33%	0.33	C	S	.	.			trans	-100.7	36.6	-171.1	59.5	165.7	0	0	0	112.3	W22 N25 F29 H30	W22-I27 HydrophobicContact CD2-CG2 3.8Å; W22-I27 HydrophobicContact CE3-CG2 3.56Å; W22-I27 HydrophobicContact CG-CG2 4.38Å; W22-I27 HydrophobicContact CH2-CG2 4.31Å; W22-I27 HydrophobicContact CZ3-CB 4.49Å; W22-I27 HydrophobicContact CZ3-CD1 4.01Å; W22-I27 HydrophobicContact CZ3-CG2 3.83Å; N25-I27 PolarHBondContact O-N 2.87Å; N25-I27 VanDerWaalsContact OD1-CD1 3.31Å; N25-I27 WeakPolarHBondContact OD1-CD1 3.26Å; N25-I27 WeakPolarHBondContact OD1-CG1 3.4Å; I27-F29 HydrophobicContact CB-CE1 4.2Å; I27-F29 HydrophobicContact CB-CE2 4.09Å; I27-F29 HydrophobicContact CB-CZ 3.78Å; I27-F29 HydrophobicContact CG2-CE1 4.27Å; I27-F29 HydrophobicContact CG2-CE2 4.35Å; I27-F29 HydrophobicContact CG2-CZ 3.71Å; I27-F29 PolarHBondContact O-N 3.19Å; I27-H30 HydrophobicContact CD1-CB 4.43Å; I27-H30 VanDerWaalsContact O-CB 3.31Å; I27-H30 WeakPolarHBondContact O-CB 3.32Å; I27-H30 PolarHBondContact O-N 3.4Å
28	G	92.2	Very high	94.9	Very high	37 Å²	37	61.4 Å²	61.4	38%	0.381	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54	-27	-176.5	0	0	0	0	0	112.6	K26 H30 R215	K26-G28 PolarHBondContact O-N 3.49Å; G28-H30 PolarHBondContact O-N 3.33Å; G28-H30 VanDerWaalsContact O-N 3.14Å; G28-R215 VanDerWaalsContact C-CZ 3.43Å; G28-R215 VanDerWaalsContact CA-NH2 3.31Å; G28-R215 PolarHBondContact O-NH1 3.07Å; G28-R215 PolarHBondContact O-NH2 3.28Å
29	F	92.6	Very high	95.2	Very high	61 Å²	61	64.3 Å²	64.3	27%	0.268	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-24	175.9	50.3	-101.8	0	0	0	113.7	W18 W22 I27 R141	W18-F29 HydrophobicContact CE3-CE1 4.46Å; W18-F29 HydrophobicContact CZ3-CD1 4.2Å; W18-F29 AromaticContact CZ3-CE1 3.86Å; W18-F29 HydrophobicContact CZ3-CE1 3.86Å; W22-F29 HydrophobicContact CH2-CE2 4.27Å; W22-F29 AromaticContact CZ2-CE2 3.77Å; W22-F29 HydrophobicContact CZ2-CE2 3.77Å; W22-F29 AromaticContact CZ2-CZ 3.96Å; W22-F29 HydrophobicContact CZ2-CZ 3.96Å; I27-F29 HydrophobicContact CB-CE1 4.2Å; I27-F29 HydrophobicContact CB-CE2 4.09Å; I27-F29 HydrophobicContact CB-CZ 3.78Å; I27-F29 HydrophobicContact CG2-CE1 4.27Å; I27-F29 HydrophobicContact CG2-CE2 4.35Å; I27-F29 HydrophobicContact CG2-CZ 3.71Å; I27-F29 PolarHBondContact O-N 3.19Å; F29-R141 PolarHBondContact O-NH1 2.81Å; F29-R141 PolarHBondContact O-NH2 2.91Å
30	H	95.6	Very high	95.5	Very high	42 Å²	42	68.4 Å²	68.4	19%	0.194	35%	0.345	C	S	.	.			trans	-67.7	131.5	176.6	178.4	63.3	0	0	0	111.2	I27 G28	I27-H30 HydrophobicContact CD1-CB 4.43Å; I27-H30 VanDerWaalsContact O-CB 3.31Å; I27-H30 WeakPolarHBondContact O-CB 3.32Å; I27-H30 PolarHBondContact O-N 3.4Å; G28-H30 PolarHBondContact O-N 3.33Å; G28-H30 VanDerWaalsContact O-N 3.14Å
31	Q	94.8	Very high	95.7	Very high	69 Å²	69	64.8 Å²	64.8	32%	0.322	33%	0.329	S	S	.	.			trans	-107	132.7	168	-71.5	-176.3	15.9	0	0	108.5	E33 H35	Q31-E33 VanDerWaalsContact C-N 3.25Å; Q31-E33 PolarHBondContact O-N 3.17Å; Q31-H35 VanDerWaalsContact CD-CD2 3.45Å; Q31-H35 PolarHBondContact NE2-CD2 3.04Å; Q31-H35 PolarHBondContact NE2-NE2 3.34Å; Q31-H35 VanDerWaalsContact NE2-NE2 3.14Å; Q31-H35 PolarHBondContact OE1-CD2 3.3Å
32	P	95.2	Very high	95.9	Very high	106 Å²	106	62.7 Å²	62.7	69%	0.688	32%	0.322	S	S	*	.	S	Bend	trans	-78.3	-11.1	-177.6	32.4	-35.9	0	0	0	113.2
33	E	97.1	Very high	96.1	Very high	152 Å²	152	68.4 Å²	68.4	71%	0.71	35%	0.349	S	S	*	.	S	Bend	trans	-115.3	157.3	178	-64.3	179.8	-175.3	0	0	109.8	Q31 H35 V63	Q31-E33 VanDerWaalsContact C-N 3.25Å; Q31-E33 PolarHBondContact O-N 3.17Å; E33-H35 PolarHBondContact O-N 2.87Å; E33-V63 WeakPolarHBondContact O-CG2 3.35Å
34	V	97.9	Very high	96.2	Very high	30 Å²	30	62.8 Å²	62.8	18%	0.182	33%	0.328	C	S	.	.			trans	-58	135.1	176.6	-176.3	0	0	0	0	108.9	S36 Q39 V63 W67	V34-S36 PolarHBondContact O-N 2.92Å; V34-Q39 HydrophobicContact CB-CG 4.2Å; V34-Q39 HydrophobicContact CG1-CG 3.58Å; V34-V63 HydrophobicContact CG2-CG2 4.34Å; V34-W67 HydrophobicContact CB-CG 4.49Å; V34-W67 HydrophobicContact CG1-CB 4.26Å; V34-W67 HydrophobicContact CG1-CD2 3.78Å; V34-W67 HydrophobicContact CG1-CE3 3.77Å; V34-W67 HydrophobicContact CG1-CG 4Å; V34-W67 HydrophobicContact CG1-CZ3 4.43Å; V34-W67 HydrophobicContact CG2-CB 3.56Å; V34-W67 HydrophobicContact CG2-CD2 4.36Å; V34-W67 HydrophobicContact CG2-CG 3.71Å
35	H	98.3	Very high	96.4	Very high	2 Å²	2	58.7 Å²	58.7	1%	0.009	31%	0.308	C	S	.	.			trans	-63.3	123.8	-175.9	-153.5	-84.9	0	0	0	110.4	Q31 E33 M37 L38 Q39 D64 W139 R141 E226	Q31-H35 VanDerWaalsContact CD-CD2 3.45Å; Q31-H35 PolarHBondContact NE2-CD2 3.04Å; Q31-H35 PolarHBondContact NE2-NE2 3.34Å; Q31-H35 VanDerWaalsContact NE2-NE2 3.14Å; Q31-H35 PolarHBondContact OE1-CD2 3.3Å; E33-H35 PolarHBondContact O-N 2.87Å; H35-M37 WeakPolarHBondContact ND1-CB 3.12Å; H35-M37 PolarHBondContact O-N 2.98Å; H35-L38 HydrophobicContact CB-CB 4.36Å; H35-L38 WeakPolarHBondContact O-CB 3.48Å; H35-L38 PolarHBondContact O-N 3.04Å; H35-Q39 PolarHBondContact O-N 3.5Å; H35-Q39 VanDerWaalsContact O-N 3.13Å; H35-D64 VanDerWaalsContact CB-OD1 3.27Å; H35-D64 WeakPolarHBondContact CB-OD1 3.32Å; H35-D64 PolarHBondContact N-OD1 3.3Å; H35-W139 HydrophobicContact CB-CZ2 3.95Å; H35-W139 AromaticContact CG-CZ2 3.95Å; H35-W139 AromaticContact ND1-CZ2 3.96Å; H35-R141 PolarHBondContact CD2-NE 2.84Å; H35-R141 PolarHBondContact NE2-NE 2.99Å; H35-E226 IonicContact CE1-OE1 3.84Å; H35-E226 PolarHBondContact CE1-OE1 3.45Å; H35-E226 IonicContact CE1-OE2 3.14Å; H35-E226 IonicContact NE2-OE1 3.57Å; H35-E226 PolarHBondContact NE2-OE1 2.9Å
36	S	97.6	Very high	96.6	Very high	53 Å²	53	53.6 Å²	53.6	37%	0.371	28%	0.281	S	S	.	.	H	α-helix	trans	-57.5	-37.5	-176.3	59.8	0	0	0	0	112.2	V34 L38 Q39 M40	V34-S36 PolarHBondContact O-N 2.92Å; S36-L38 VanDerWaalsContact C-N 3.32Å; S36-L38 PolarHBondContact O-N 2.81Å; S36-Q39 PolarHBondContact O-N 3.24Å; S36-M40 WeakPolarHBondContact O-CB 3.25Å; S36-M40 VanDerWaalsContact O-CG 3.3Å; S36-M40 WeakPolarHBondContact O-CG 3.37Å; S36-M40 PolarHBondContact O-N 2.87Å
37	M	97.8	Very high	96.8	Very high	1 Å²	1	52.5 Å²	52.5	1%	0.005	28%	0.281	C	S	.	.	H	α-helix	trans	-59.6	-38.9	174.6	-67	-57.2	-147.9	0	0	113.4	H35 N41 W139 Q207 V209 E226 V228	H35-M37 WeakPolarHBondContact ND1-CB 3.12Å; H35-M37 PolarHBondContact O-N 2.98Å; M37-N41 WeakPolarHBondContact O-CB 3.45Å; M37-N41 PolarHBondContact O-N 3.46Å; M37-N41 PolarHBondContact O-ND2 3.07Å; M37-W139 HydrophobicContact CB-CH2 4.11Å; M37-Q207 HydrophobicContact CE-CG 4.06Å; M37-Q207 HydrophobicContact SD-CB 4.33Å; M37-Q207 HydrophobicContact SD-CG 3.85Å; M37-V209 HydrophobicContact CE-CB 4.21Å; M37-V209 HydrophobicContact CE-CG1 3.97Å; M37-V209 HydrophobicContact CE-CG2 3.31Å; M37-E226 HydrophobicContact CE-CB 4.11Å; M37-E226 HydrophobicContact CE-CG 3.83Å; M37-E226 WeakPolarHBondContact CE-OE2 3.41Å; M37-E226 WeakPolarHBondContact CG-OE2 3.45Å; M37-V228 HydrophobicContact CB-CG2 3.56Å; M37-V228 HydrophobicContact CE-CG2 3.77Å; M37-V228 HydrophobicContact CG-CG2 3.53Å; M37-V228 HydrophobicContact SD-CG2 3.66Å
38	L	98.5	Very high	97	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-67.2	-46.3	175	175.4	63	0	0	0	110	H35 S36 M40 N41 Y42 W54 D64 W67 L68 W139 L170	H35-L38 HydrophobicContact CB-CB 4.36Å; H35-L38 WeakPolarHBondContact O-CB 3.48Å; H35-L38 PolarHBondContact O-N 3.04Å; S36-L38 VanDerWaalsContact C-N 3.32Å; S36-L38 PolarHBondContact O-N 2.81Å; L38-M40 PolarHBondContact O-N 2.95Å; L38-N41 CarbonylContact O-C 3.59Å; L38-N41 PolarHBondContact O-N 2.86Å; L38-Y42 WeakPolarHBondContact O-CA 3.48Å; L38-Y42 WeakPolarHBondContact O-CB 3.35Å; L38-Y42 PolarHBondContact O-N 3.3Å; L38-W54 HydrophobicContact CD1-CH2 4.02Å; L38-W54 HydrophobicContact CD1-CZ3 3.86Å; L38-D64 HydrophobicContact CD2-CB 3.68Å; L38-D64 WeakPolarHBondContact CD2-OD1 3.27Å; L38-W67 HydrophobicContact CD2-CE3 3.94Å; L38-W67 HydrophobicContact CD2-CZ3 3.84Å; L38-W67 HydrophobicContact CG-CE3 4.38Å; L38-W67 HydrophobicContact CG-CZ3 3.79Å; L38-L68 HydrophobicContact CD2-CD1 4.42Å; L38-W139 HydrophobicContact CB-CD2 4.36Å; L38-W139 HydrophobicContact CB-CH2 4.46Å; L38-W139 HydrophobicContact CB-CZ2 3.97Å; L38-W139 HydrophobicContact CD1-CD2 4.18Å; L38-W139 HydrophobicContact CD1-CG 4.2Å; L38-W139 HydrophobicContact CD2-CG 4.33Å; L38-L170 HydrophobicContact CD1-CD2 3.97Å
39	Q	98.1	Very high	97.3	Very high	97 Å²	97	56.4 Å²	56.4	45%	0.453	31%	0.307	S	S	.	.	H	α-helix	trans	-60.6	-45.8	-179.7	-64	-176.1	-51.9	0	0	112.3	V34 H35 S36 N41 W67	V34-Q39 HydrophobicContact CB-CG 4.2Å; V34-Q39 HydrophobicContact CG1-CG 3.58Å; H35-Q39 PolarHBondContact O-N 3.5Å; H35-Q39 VanDerWaalsContact O-N 3.13Å; S36-Q39 PolarHBondContact O-N 3.24Å; Q39-N41 VanDerWaalsContact C-N 3.29Å; Q39-N41 PolarHBondContact O-N 3.37Å; Q39-W67 HydrophobicContact CG-CH2 4.22Å; Q39-W67 HydrophobicContact CG-CZ2 4.12Å
40	M	98.1	Very high	97.5	Very high	125 Å²	125	58.9 Å²	58.9	62%	0.616	33%	0.332	S	S	*	.	H	α-helix	trans	-66.3	-31.5	-179.1	-69.9	-179.5	-171.5	0	0	112.7	S36 L38 Q207	S36-M40 WeakPolarHBondContact O-CB 3.25Å; S36-M40 VanDerWaalsContact O-CG 3.3Å; S36-M40 WeakPolarHBondContact O-CG 3.37Å; S36-M40 PolarHBondContact O-N 2.87Å; L38-M40 PolarHBondContact O-N 2.95Å; M40-Q207 PolarHBondContact SD-NE2 2.79Å
41	N	98.4	Very high	97.7	Very high	16 Å²	16	59.2 Å²	59.2	9%	0.086	35%	0.347	C	S	.	.	H	α-helix	trans	-104.7	3.5	-176	-63.3	-76.8	0	0	0	113.5	M37 L38 Q39 E43 A44 V45 L170 L206 Q207	M37-N41 WeakPolarHBondContact O-CB 3.45Å; M37-N41 PolarHBondContact O-N 3.46Å; M37-N41 PolarHBondContact O-ND2 3.07Å; L38-N41 CarbonylContact O-C 3.59Å; L38-N41 PolarHBondContact O-N 2.86Å; Q39-N41 VanDerWaalsContact C-N 3.29Å; Q39-N41 PolarHBondContact O-N 3.37Å; N41-E43 PolarHBondContact O-N 3.01Å; N41-A44 CarbonylContact O-C 3.52Å; N41-A44 WeakPolarHBondContact O-CA 3.41Å; N41-A44 WeakPolarHBondContact O-CB 3.45Å; N41-A44 PolarHBondContact O-N 2.95Å; N41-V45 PolarHBondContact O-N 3.4Å; N41-L170 HydrophobicContact CB-CD1 3.99Å; N41-L170 HydrophobicContact CB-CD2 4.02Å; N41-L206 HydrophobicContact CB-CD1 4.08Å; N41-L206 WeakPolarHBondContact OD1-CB 3.35Å; N41-L206 WeakPolarHBondContact OD1-CD1 3.43Å; N41-Q207 PolarHBondContact ND2-OE1 2.92Å
42	Y	98.6	Very high	97.8	Very high	35 Å²	35	56.3 Å²	56.3	14%	0.137	33%	0.334	C	S	.	.	H	α-helix	trans	-54.2	-48.4	-177.6	166.8	-97	0	0	0	112.8	L38 A44 V45 V46 W54 W67 L68 L71 H73	L38-Y42 WeakPolarHBondContact O-CA 3.48Å; L38-Y42 WeakPolarHBondContact O-CB 3.35Å; L38-Y42 PolarHBondContact O-N 3.3Å; Y42-A44 PolarHBondContact O-N 3.34Å; Y42-V45 WeakPolarHBondContact O-CA 3.28Å; Y42-V45 PolarHBondContact O-N 3.46Å; Y42-V46 HydrophobicContact CD1-CG2 4.25Å; Y42-V46 HydrophobicContact CD2-CG1 4.02Å; Y42-V46 HydrophobicContact CE1-CG1 4.19Å; Y42-V46 HydrophobicContact CE1-CG2 3.85Å; Y42-V46 HydrophobicContact CE2-CG1 3.45Å; Y42-V46 VanDerWaalsContact CE2-CG1 3.45Å; Y42-V46 WeakPolarHBondContact O-CG2 3.44Å; Y42-V46 PolarHBondContact O-N 2.65Å; Y42-W54 HydrophobicContact CD2-CH2 4.45Å; Y42-W54 HydrophobicContact CD2-CZ2 4.18Å; Y42-W54 HydrophobicContact CE2-CZ2 4.25Å; Y42-W67 AromaticContact CD2-CH2 3.65Å; Y42-W67 HydrophobicContact CD2-CH2 3.65Å; Y42-W67 AromaticContact CD2-CZ3 3.89Å; Y42-W67 HydrophobicContact CD2-CZ3 3.89Å; Y42-W67 HydrophobicContact CE2-CH2 4.38Å; Y42-W67 AromaticContact CG-CH2 3.76Å; Y42-W67 HydrophobicContact CG-CH2 3.76Å; Y42-W67 HydrophobicContact CG-CZ3 4.4Å; Y42-L68 HydrophobicContact CD2-CD2 3.93Å; Y42-L68 HydrophobicContact CE2-CD2 3.85Å; Y42-L71 HydrophobicContact CD2-CD1 4.38Å; Y42-L71 HydrophobicContact CE1-CD1 4.47Å; Y42-L71 HydrophobicContact CE2-CD1 3.73Å; Y42-H73 AromaticContact CE2-NE2 3.53Å; Y42-H73 AromaticContact CZ-NE2 3.66Å; Y42-H73 PolarHBondContact OH-NE2 3Å
43	E	98.2	Very high	98	Very high	128 Å²	128	54.9 Å²	54.9	60%	0.598	32%	0.315	S	S	*	.	H	α-helix	trans	-60.3	-36.8	178.3	-70.6	-58.6	149.7	0	0	112.2	N41 V45 N47	N41-E43 PolarHBondContact O-N 3.01Å; E43-V45 PolarHBondContact O-N 3.18Å; E43-N47 PolarHBondContact O-N 3.26Å
44	A	97.8	Very high	98.1	Very high	31 Å²	31	47.7 Å²	47.7	26%	0.256	28%	0.281	S	S	.	.	H	α-helix	trans	-70.1	-16	174.5	0	0	0	0	0	112.6	N41 Y42 R168 L206	N41-A44 CarbonylContact O-C 3.52Å; N41-A44 WeakPolarHBondContact O-CA 3.41Å; N41-A44 WeakPolarHBondContact O-CB 3.45Å; N41-A44 PolarHBondContact O-N 2.95Å; Y42-A44 PolarHBondContact O-N 3.34Å; A44-R168 VanDerWaalsContact O-CD 3.26Å; A44-R168 WeakPolarHBondContact O-CD 3.32Å; A44-R168 PolarHBondContact O-NH1 3.23Å; A44-L206 HydrophobicContact CB-CD1 4.05Å
45	V	98.1	Very high	98.1	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-94	-47.2	174.2	-177.9	0	0	0	0	111.4	N41 Y42 E43 N47 R49 W54 A137 R168 L170	N41-V45 PolarHBondContact O-N 3.4Å; Y42-V45 WeakPolarHBondContact O-CA 3.28Å; Y42-V45 PolarHBondContact O-N 3.46Å; E43-V45 PolarHBondContact O-N 3.18Å; V45-N47 PolarHBondContact O-N 3.04Å; V45-R49 PolarHBondContact O-NH2 2.86Å; V45-W54 HydrophobicContact CB-CH2 3.61Å; V45-W54 HydrophobicContact CB-CZ2 4.24Å; V45-W54 HydrophobicContact CB-CZ3 4.34Å; V45-W54 HydrophobicContact CG1-CH2 3.26Å; V45-W54 HydrophobicContact CG1-CZ2 3.79Å; V45-W54 HydrophobicContact CG1-CZ3 3.68Å; V45-W54 HydrophobicContact CG2-CH2 4.19Å; V45-A137 HydrophobicContact CG1-CB 3.51Å; V45-R168 HydrophobicContact CG1-CB 3.9Å; V45-R168 WeakPolarHBondContact O-CD 3.49Å; V45-L170 HydrophobicContact CG2-CB 3.85Å; V45-L170 HydrophobicContact CG2-CD1 4.01Å; V45-L170 HydrophobicContact CG2-CD2 3.95Å; V45-L170 HydrophobicContact CG2-CG 4.16Å
46	V	98.2	Very high	98.2	Very high	4 Å²	4	46.4 Å²	46.4	2%	0.024	27%	0.273	C	S	.	.	H	α-helix	trans	-69.8	-34.7	-179.2	-63	0	0	0	0	112	Y42 G48 R49 V52 W54	Y42-V46 HydrophobicContact CD1-CG2 4.25Å; Y42-V46 HydrophobicContact CD2-CG1 4.02Å; Y42-V46 HydrophobicContact CE1-CG1 4.19Å; Y42-V46 HydrophobicContact CE1-CG2 3.85Å; Y42-V46 HydrophobicContact CE2-CG1 3.45Å; Y42-V46 VanDerWaalsContact CE2-CG1 3.45Å; Y42-V46 WeakPolarHBondContact O-CG2 3.44Å; Y42-V46 PolarHBondContact O-N 2.65Å; V46-G48 VanDerWaalsContact C-N 3.25Å; V46-G48 PolarHBondContact O-N 3.35Å; V46-R49 WeakPolarHBondContact O-CB 3.41Å; V46-R49 VanDerWaalsContact O-CG 3.29Å; V46-R49 WeakPolarHBondContact O-CG 3.4Å; V46-R49 PolarHBondContact O-N 2.77Å; V46-R49 PolarHBondContact O-NE 3.02Å; V46-V52 HydrophobicContact CG1-CG2 4.37Å; V46-W54 HydrophobicContact CG1-CZ2 3.88Å
47	N	97.3	Very high	98.2	Very high	98 Å²	98	44 Å²	44	52%	0.524	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.6	40.1	175.9	-156.8	46.9	0	0	0	113.5	E43 V45 R49 R168	E43-N47 PolarHBondContact O-N 3.26Å; V45-N47 PolarHBondContact O-N 3.04Å; N47-R49 VanDerWaalsContact C-N 3.25Å; N47-R49 PolarHBondContact O-N 3.4Å; N47-R168 VanDerWaalsContact CG-CZ 3.45Å; N47-R168 PolarHBondContact OD1-NH1 3.22Å
48	G	97.4	Very high	98.3	Very high	77 Å²	77	46 Å²	46	79%	0.794	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.4	1.8	-175.7	0	0	0	0	0	115.5	V46	V46-G48 VanDerWaalsContact C-N 3.25Å; V46-G48 PolarHBondContact O-N 3.35Å
49	R	98.1	Very high	98.3	Very high	58 Å²	58	46.5 Å²	46.5	22%	0.219	27%	0.27	C	S	.	.			trans	-79.5	139.8	172.8	-58.4	174.4	-67.9	171.3	0	110.4	V45 V46 N47 V52 G136 D166	V45-R49 PolarHBondContact O-NH2 2.86Å; V46-R49 WeakPolarHBondContact O-CB 3.41Å; V46-R49 VanDerWaalsContact O-CG 3.29Å; V46-R49 WeakPolarHBondContact O-CG 3.4Å; V46-R49 PolarHBondContact O-N 2.77Å; V46-R49 PolarHBondContact O-NE 3.02Å; N47-R49 VanDerWaalsContact C-N 3.25Å; N47-R49 PolarHBondContact O-N 3.4Å; R49-V52 HydrophobicContact CB-CG2 3.62Å; R49-G136 PolarHBondContact NH1-O 3.16Å; R49-G136 PolarHBondContact NH2-O 3.03Å; R49-D166 IonicContact CZ-OD2 3.53Å; R49-D166 VanDerWaalsContact NH1-CG 3.25Å; R49-D166 PolarHBondContact NH1-O 2.72Å; R49-D166 IonicContact NH1-OD1 3.93Å; R49-D166 IonicContact NH1-OD2 2.67Å; R49-D166 PolarHBondContact NH1-OD2 2.89Å
50	S	97.4	Very high	98.3	Very high	112 Å²	112	42.2 Å²	42.2	78%	0.783	25%	0.252	S	S	*	.	S	Bend	trans	-103.1	160.5	168.5	57.2	0	0	0	0	110.4	V52	S50-V52 PolarHBondContact O-N 2.65Å
51	G	98.1	Very high	98.3	Very high	49 Å²	49	36.9 Å²	36.9	51%	0.505	23%	0.225	S	C	.	.	S	Bend	trans	62.7	19.7	174.9	0	0	0	0	0	115
52	V	98.6	Very high	98.3	Very high	9 Å²	9	37 Å²	37	6%	0.055	23%	0.229	C	C	.	.			trans	-52.8	140	177.2	-176.4	0	0	0	0	110.6	V46 R49 S50 H73 S74 A137	V46-V52 HydrophobicContact CG1-CG2 4.37Å; R49-V52 HydrophobicContact CB-CG2 3.62Å; S50-V52 PolarHBondContact O-N 2.65Å; V52-H73 PolarHBondContact N-ND1 2.91Å; V52-H73 VanDerWaalsContact O-CB 3.25Å; V52-H73 WeakPolarHBondContact O-CB 3.06Å; V52-H73 PolarHBondContact O-ND1 2.7Å; V52-S74 PolarHBondContact O-N 3.28Å; V52-A137 HydrophobicContact CG1-CB 3.62Å
53	R	98.8	Very high	98.3	Very high	76 Å²	76	36.4 Å²	36.4	29%	0.287	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	113.8	174.7	-167.3	163.5	177.5	-100.5	5.5	110.1	S74 A132 Q134 F135 G136 A137	R53-S74 CarbonylContact C-O 3.56Å; R53-S74 WeakPolarHBondContact CA-O 3.34Å; R53-S74 WeakPolarHBondContact CA-OG 3.3Å; R53-S74 WeakPolarHBondContact CB-OG 3.47Å; R53-S74 VanDerWaalsContact CG-OG 3.27Å; R53-S74 WeakPolarHBondContact CG-OG 3.4Å; R53-A132 PolarHBondContact NH1-O 2.89Å; R53-A132 PolarHBondContact NH2-O 3.34Å; R53-Q134 PolarHBondContact NH1-O 3.43Å; R53-Q134 VanDerWaalsContact NH1-O 3.08Å; R53-F135 HydrophobicContact CG-CD1 3.9Å; R53-F135 HydrophobicContact CG-CE1 4.29Å; R53-F135 VanDerWaalsContact CZ-CE1 3.49Å; R53-G136 PolarHBondContact O-N 2.94Å; R53-A137 PolarHBondContact O-N 3.04Å
54	W	98.9	Very high	98.3	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	142.6	-174	-69.3	75.5	0	0	0	111.7	L38 Y42 V45 V46 F56 L68 H73 S74 V75 V76 A137 W139	L38-W54 HydrophobicContact CD1-CH2 4.02Å; L38-W54 HydrophobicContact CD1-CZ3 3.86Å; Y42-W54 HydrophobicContact CD2-CH2 4.45Å; Y42-W54 HydrophobicContact CD2-CZ2 4.18Å; Y42-W54 HydrophobicContact CE2-CZ2 4.25Å; V45-W54 HydrophobicContact CB-CH2 3.61Å; V45-W54 HydrophobicContact CB-CZ2 4.24Å; V45-W54 HydrophobicContact CB-CZ3 4.34Å; V45-W54 HydrophobicContact CG1-CH2 3.26Å; V45-W54 HydrophobicContact CG1-CZ2 3.79Å; V45-W54 HydrophobicContact CG1-CZ3 3.68Å; V45-W54 HydrophobicContact CG2-CH2 4.19Å; V46-W54 HydrophobicContact CG1-CZ2 3.88Å; W54-F56 HydrophobicContact CB-CD2 4.39Å; W54-F56 HydrophobicContact CB-CE2 3.95Å; W54-L68 HydrophobicContact CB-CD1 4.19Å; W54-L68 HydrophobicContact CD2-CD1 3.51Å; W54-L68 HydrophobicContact CD2-CD2 4.21Å; W54-L68 HydrophobicContact CD2-CG 4.46Å; W54-L68 HydrophobicContact CE3-CD1 3.64Å; W54-L68 HydrophobicContact CG-CD1 3.77Å; W54-L68 HydrophobicContact CH2-CD1 4.5Å; W54-L68 HydrophobicContact CH2-CD2 4.09Å; W54-L68 HydrophobicContact CZ2-CD1 4.43Å; W54-L68 HydrophobicContact CZ2-CD2 3.69Å; W54-L68 HydrophobicContact CZ3-CD1 4.15Å; W54-H73 AromaticContact CD1-CG 3.79Å; W54-H73 AromaticContact NE1-CD2 3.51Å; W54-H73 AromaticContact NE1-CG 3.42Å; W54-H73 AromaticContact NE1-ND1 3.78Å; W54-H73 AromaticContact NE1-NE2 3.88Å; W54-S74 PolarHBondContact N-O 2.78Å; W54-V75 HydrophobicContact CB-CG2 4.44Å; W54-V76 PolarHBondContact O-N 2.86Å; W54-A137 CarbonylContact C-O 3.46Å; W54-A137 VanDerWaalsContact CA-O 3.32Å; W54-A137 WeakPolarHBondContact CA-O 3.35Å; W54-A137 HydrophobicContact CD2-CB 3.41Å; W54-A137 VanDerWaalsContact CD2-CB 3.41Å; W54-A137 HydrophobicContact CE3-CB 3.53Å; W54-A137 HydrophobicContact CG-CB 3.94Å; W54-A137 HydrophobicContact CH2-CB 4.2Å; W54-A137 HydrophobicContact CZ2-CB 4.08Å; W54-A137 HydrophobicContact CZ3-CB 3.93Å; W54-W139 HydrophobicContact CE3-CB 4.29Å; W54-W139 HydrophobicContact CZ3-CB 4.3Å
55	F	98.9	Very high	98.4	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	139.1	172.2	-178.6	-115.4	0	0	0	112.4	P57 V76 V78 L124 F127 F135 A137 I138 W139 I159 L162	F55-P57 HydrophobicContact CD1-CB 4.48Å; F55-P57 HydrophobicContact CD1-CG 4.47Å; F55-P57 HydrophobicContact CE1-CB 3.73Å; F55-P57 HydrophobicContact CE1-CG 4.16Å; F55-P57 HydrophobicContact CZ-CB 4.19Å; F55-V76 CarbonylContact C-O 3.57Å; F55-V76 VanDerWaalsContact CA-O 3.27Å; F55-V76 WeakPolarHBondContact CA-O 3.32Å; F55-V76 HydrophobicContact CD2-CB 4.43Å; F55-V76 HydrophobicContact CD2-CG1 4.23Å; F55-V76 WeakPolarHBondContact CD2-O 3.44Å; F55-V78 HydrophobicContact CE2-CB 4.48Å; F55-V78 HydrophobicContact CE2-CG2 3.76Å; F55-V78 HydrophobicContact CZ-CG2 4.06Å; F55-L124 HydrophobicContact CZ-CD1 3.95Å; F55-F127 HydrophobicContact CD2-CE1 4.37Å; F55-F127 HydrophobicContact CE2-CD1 4.02Å; F55-F127 AromaticContact CE2-CE1 3.63Å; F55-F127 HydrophobicContact CE2-CE1 3.63Å; F55-F127 HydrophobicContact CE2-CZ 4.37Å; F55-F127 HydrophobicContact CZ-CD1 4.15Å; F55-F127 HydrophobicContact CZ-CE1 4.2Å; F55-F135 HydrophobicContact CB-CB 3.94Å; F55-F135 HydrophobicContact CB-CD1 3.67Å; F55-F135 HydrophobicContact CB-CD2 3.63Å; F55-F135 HydrophobicContact CB-CE1 4.07Å; F55-F135 HydrophobicContact CB-CE2 4Å; F55-F135 HydrophobicContact CB-CG 3.46Å; F55-F135 VanDerWaalsContact CB-CG 3.46Å; F55-F135 HydrophobicContact CB-CZ 4.22Å; F55-F135 HydrophobicContact CD2-CD2 4.22Å; F55-F135 HydrophobicContact CD2-CE1 4.17Å; F55-F135 AromaticContact CD2-CE2 3.71Å; F55-F135 HydrophobicContact CD2-CE2 3.71Å; F55-F135 AromaticContact CD2-CZ 3.7Å; F55-F135 HydrophobicContact CD2-CZ 3.7Å; F55-F135 HydrophobicContact CE2-CE2 4.36Å; F55-F135 HydrophobicContact CE2-CZ 4.43Å; F55-F135 AromaticContact CG-CD2 3.93Å; F55-F135 HydrophobicContact CG-CD2 3.93Å; F55-F135 AromaticContact CG-CE2 3.89Å; F55-F135 HydrophobicContact CG-CE2 3.89Å; F55-F135 HydrophobicContact CG-CG 4.25Å; F55-F135 HydrophobicContact CG-CZ 4.22Å; F55-A137 PolarHBondContact N-O 2.82Å; F55-I138 HydrophobicContact CB-CG1 4.16Å; F55-I138 HydrophobicContact CD1-CD1 4.4Å; F55-I138 HydrophobicContact CD1-CG1 4.48Å; F55-I138 HydrophobicContact CD1-CG2 4.13Å; F55-I138 WeakPolarHBondContact O-CA 3.2Å; F55-W139 PolarHBondContact O-N 2.82Å; F55-I159 HydrophobicContact CD1-CD1 4.45Å; F55-I159 HydrophobicContact CE1-CD1 3.88Å; F55-L162 HydrophobicContact CD1-CD1 4.07Å; F55-L162 HydrophobicContact CE1-CD1 3.5Å; F55-L162 VanDerWaalsContact CE1-CD1 3.5Å; F55-L162 HydrophobicContact CE2-CD1 4.36Å; F55-L162 HydrophobicContact CZ-CD1 3.67Å
56	F	98.9	Very high	98.4	Very high	5 Å²	5	31.7 Å²	31.7	2%	0.022	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	95.8	-179.5	-77.2	-116.8	0	0	0	109.5	W54 C59 A62 D64 M65 L68 V75 V76 G77 V78 W139	W54-F56 HydrophobicContact CB-CD2 4.39Å; W54-F56 HydrophobicContact CB-CE2 3.95Å; F56-C59 HydrophobicContact CB-CB 3.62Å; F56-A62 HydrophobicContact CD1-CB 4.41Å; F56-A62 HydrophobicContact CE1-CB 4.44Å; F56-D64 HydrophobicContact CE1-CB 3.77Å; F56-D64 HydrophobicContact CZ-CB 4.1Å; F56-M65 HydrophobicContact CB-CG 4.44Å; F56-M65 HydrophobicContact CB-SD 4.08Å; F56-M65 HydrophobicContact CD1-CG 3.43Å; F56-M65 VanDerWaalsContact CD1-CG 3.43Å; F56-M65 HydrophobicContact CD1-SD 4.06Å; F56-M65 HydrophobicContact CD2-CG 4Å; F56-M65 HydrophobicContact CE1-CB 4.47Å; F56-M65 HydrophobicContact CE1-CG 3.42Å; F56-M65 VanDerWaalsContact CE1-CG 3.42Å; F56-M65 HydrophobicContact CE2-CG 4.07Å; F56-M65 HydrophobicContact CG-CG 3.72Å; F56-M65 HydrophobicContact CG-SD 4.01Å; F56-M65 HydrophobicContact CZ-CG 3.8Å; F56-L68 HydrophobicContact CE2-CD1 3.55Å; F56-L68 HydrophobicContact CZ-CD1 3.46Å; F56-L68 VanDerWaalsContact CZ-CD1 3.46Å; F56-V75 HydrophobicContact CD2-CG1 3.74Å; F56-V75 HydrophobicContact CE2-CG1 3.83Å; F56-V76 PolarHBondContact N-O 3.33Å; F56-G77 WeakPolarHBondContact O-CA 3.44Å; F56-V78 PolarHBondContact O-N 2.82Å; F56-W139 HydrophobicContact CE1-CB 4.21Å; F56-W139 AromaticContact CE1-CD1 3.4Å; F56-W139 HydrophobicContact CE1-CG 4.21Å; F56-W139 HydrophobicContact CE2-CB 4.25Å; F56-W139 HydrophobicContact CZ-CB 4Å; F56-W139 AromaticContact CZ-CD1 3.81Å; F56-W139 HydrophobicContact CZ-CG 4.32Å
57	P	98.8	Very high	98.4	Very high	3 Å²	3	34.3 Å²	34.3	2%	0.019	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	138.3	174.3	29.9	-32.5	0	0	0	110.3	F55 C59 L124 I138 D140 S143 Y155 I159	F55-P57 HydrophobicContact CD1-CB 4.48Å; F55-P57 HydrophobicContact CD1-CG 4.47Å; F55-P57 HydrophobicContact CE1-CB 3.73Å; F55-P57 HydrophobicContact CE1-CG 4.16Å; F55-P57 HydrophobicContact CZ-CB 4.19Å; P57-C59 VanDerWaalsContact C-N 3.33Å; P57-C59 PolarHBondContact O-N 2.9Å; P57-L124 HydrophobicContact CB-CD1 4.14Å; P57-L124 HydrophobicContact CB-CD2 4.09Å; P57-I138 HydrophobicContact CG-CG2 4.49Å; P57-D140 HydrophobicContact CG-CB 4.16Å; P57-S143 VanDerWaalsContact C-OG 3.22Å; P57-S143 VanDerWaalsContact CB-OG 3.28Å; P57-S143 WeakPolarHBondContact CB-OG 3.44Å; P57-S143 WeakPolarHBondContact CG-OG 3.46Å; P57-S143 WeakPolarHBondContact O-CB 3.35Å; P57-S143 PolarHBondContact O-OG 3.22Å; P57-Y155 HydrophobicContact CB-CE2 4.33Å; P57-Y155 WeakPolarHBondContact CG-OH 3.38Å; P57-I159 HydrophobicContact CB-CD1 3.98Å; P57-I159 HydrophobicContact CG-CD1 4.02Å
58	L	98.6	Very high	98.5	Very high	44 Å²	44	29.6 Å²	29.6	23%	0.23	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.1	51.1	-176.8	-76.3	58.9	0	0	0	111.5	G60 V78 L124 S143 A146 I147	L58-G60 PolarHBondContact O-N 3.34Å; L58-G60 VanDerWaalsContact O-N 3.16Å; L58-V78 CarbonylContact C-O 3.53Å; L58-V78 WeakPolarHBondContact CA-O 3.37Å; L58-V78 PolarHBondContact N-O 3.39Å; L58-L124 HydrophobicContact CD1-CB 3.84Å; L58-L124 HydrophobicContact CD1-CD2 3.42Å; L58-L124 VanDerWaalsContact CD1-CD2 3.42Å; L58-L124 HydrophobicContact CD1-CG 4.12Å; L58-S143 WeakPolarHBondContact CB-OG 3.27Å; L58-A146 HydrophobicContact CD2-CB 3.93Å; L58-I147 HydrophobicContact CD1-CD1 4.32Å; L58-I147 HydrophobicContact CD2-CD1 4.1Å
59	C	98.7	Very high	98.6	Very high	10 Å²	10	26.5 Å²	26.5	7%	0.068	15%	0.152	C	C	.	.			trans	-68.3	-18.4	-165.2	67.1	0	0	0	0	114.6	F56 P57 K61 A62 M65 V78 E79	F56-C59 HydrophobicContact CB-CB 3.62Å; P57-C59 VanDerWaalsContact C-N 3.33Å; P57-C59 PolarHBondContact O-N 2.9Å; C59-K61 PolarHBondContact O-N 2.82Å; C59-K61 VanDerWaalsContact O-N 3.09Å; C59-A62 WeakPolarHBondContact O-CB 3.41Å; C59-A62 PolarHBondContact O-N 2.8Å; C59-M65 HydrophobicContact CB-CE 3.94Å; C59-M65 HydrophobicContact CB-SD 3.7Å; C59-V78 PolarHBondContact N-O 2.87Å; C59-E79 VanDerWaalsContact SG-CB 3.59Å
60	G	98.5	Very high	98.6	Very high	6 Å²	6	28.8 Å²	28.8	6%	0.062	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.7	-119.7	-171	0	0	0	0	0	110.8	L58 E79	L58-G60 PolarHBondContact O-N 3.34Å; L58-G60 VanDerWaalsContact O-N 3.16Å; G60-E79 WeakPolarHBondContact CA-OE2 3.24Å; G60-E79 PolarHBondContact N-OE2 2.83Å
61	K	98.5	Very high	98.6	Very high	13 Å²	13	27.3 Å²	27.3	6%	0.057	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.2	38.1	172.9	70.5	-173.7	-172.5	171	0	113.3	W22 C59 V63 Q87 F88 E91	W22-K61 HydrophobicContact CH2-CB 4.41Å; W22-K61 HydrophobicContact CH2-CD 4.01Å; W22-K61 HydrophobicContact CH2-CG 3.93Å; W22-K61 HydrophobicContact CZ3-CD 3.99Å; W22-K61 HydrophobicContact CZ3-CG 4.42Å; C59-K61 PolarHBondContact O-N 2.82Å; C59-K61 VanDerWaalsContact O-N 3.09Å; K61-V63 PolarHBondContact O-N 2.77Å; K61-V63 VanDerWaalsContact O-N 3.15Å; K61-Q87 HydrophobicContact CD-CB 3.94Å; K61-Q87 VanDerWaalsContact NZ-OE1 3.07Å; K61-F88 HydrophobicContact CB-CB 3.74Å; K61-F88 HydrophobicContact CB-CD2 4.45Å; K61-E91 WeakPolarHBondContact CD-OE2 3.5Å; K61-E91 WeakPolarHBondContact CE-OE2 3.45Å; K61-E91 VanDerWaalsContact NZ-CD 3.31Å; K61-E91 IonicContact NZ-OE1 2.68Å; K61-E91 PolarHBondContact NZ-OE1 2.83Å; K61-E91 IonicContact NZ-OE2 2.67Å; K61-E91 PolarHBondContact NZ-OE2 2.91Å; K61-E91 VanDerWaalsContact NZ-OE2 3.14Å
62	A	98.7	Very high	98.7	Very high	20 Å²	20	27.4 Å²	27.4	17%	0.165	15%	0.153	C	C	.	.			trans	-53.5	118.8	-177	0	0	0	0	0	112.2	F56 C59 D64 M65 F88	F56-A62 HydrophobicContact CD1-CB 4.41Å; F56-A62 HydrophobicContact CE1-CB 4.44Å; C59-A62 WeakPolarHBondContact O-CB 3.41Å; C59-A62 PolarHBondContact O-N 2.8Å; A62-D64 HydrophobicContact CB-CB 4.47Å; A62-D64 PolarHBondContact O-N 2.82Å; A62-M65 HydrophobicContact CB-CE 4.45Å; A62-M65 HydrophobicContact CB-CG 4.47Å; A62-M65 WeakPolarHBondContact O-CB 3.27Å; A62-M65 PolarHBondContact O-N 3.22Å; A62-F88 VanDerWaalsContact O-CE2 3.3Å; A62-F88 WeakPolarHBondContact O-CE2 3.34Å
63	V	98.4	Very high	98.7	Very high	22 Å²	22	27.2 Å²	27.2	13%	0.133	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-21.8	179.9	-60.4	0	0	0	0	112.3	E33 V34 K61 M65 K66 W67	E33-V63 WeakPolarHBondContact O-CG2 3.35Å; V34-V63 HydrophobicContact CG2-CG2 4.34Å; K61-V63 PolarHBondContact O-N 2.77Å; K61-V63 VanDerWaalsContact O-N 3.15Å; V63-M65 PolarHBondContact O-N 3.4Å; V63-K66 PolarHBondContact O-N 3.46Å; V63-W67 PolarHBondContact O-N 3Å; V63-W67 VanDerWaalsContact O-N 3.13Å
64	D	98.8	Very high	98.7	Very high	9 Å²	9	25.4 Å²	25.4	5%	0.048	15%	0.15	C	C	.	.	H	α-helix	trans	-50.3	-35.9	171	-52.4	-98.4	0	0	0	112.8	H35 L38 F56 A62 W67 L68	H35-D64 VanDerWaalsContact CB-OD1 3.27Å; H35-D64 WeakPolarHBondContact CB-OD1 3.32Å; H35-D64 PolarHBondContact N-OD1 3.3Å; L38-D64 HydrophobicContact CD2-CB 3.68Å; L38-D64 WeakPolarHBondContact CD2-OD1 3.27Å; F56-D64 HydrophobicContact CE1-CB 3.77Å; F56-D64 HydrophobicContact CZ-CB 4.1Å; A62-D64 HydrophobicContact CB-CB 4.47Å; A62-D64 PolarHBondContact O-N 2.82Å; D64-W67 PolarHBondContact O-N 2.85Å; D64-L68 WeakPolarHBondContact O-CG 3.41Å; D64-L68 PolarHBondContact O-N 3.49Å
65	M	98.8	Very high	98.7	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-62.9	-43.6	178.4	-67	-168.9	-67.7	0	0	111.5	F56 C59 A62 V63 A69 V75 F88 L119	F56-M65 HydrophobicContact CB-CG 4.44Å; F56-M65 HydrophobicContact CB-SD 4.08Å; F56-M65 HydrophobicContact CD1-CG 3.43Å; F56-M65 VanDerWaalsContact CD1-CG 3.43Å; F56-M65 HydrophobicContact CD1-SD 4.06Å; F56-M65 HydrophobicContact CD2-CG 4Å; F56-M65 HydrophobicContact CE1-CB 4.47Å; F56-M65 HydrophobicContact CE1-CG 3.42Å; F56-M65 VanDerWaalsContact CE1-CG 3.42Å; F56-M65 HydrophobicContact CE2-CG 4.07Å; F56-M65 HydrophobicContact CG-CG 3.72Å; F56-M65 HydrophobicContact CG-SD 4.01Å; F56-M65 HydrophobicContact CZ-CG 3.8Å; C59-M65 HydrophobicContact CB-CE 3.94Å; C59-M65 HydrophobicContact CB-SD 3.7Å; A62-M65 HydrophobicContact CB-CE 4.45Å; A62-M65 HydrophobicContact CB-CG 4.47Å; A62-M65 WeakPolarHBondContact O-CB 3.27Å; A62-M65 PolarHBondContact O-N 3.22Å; V63-M65 PolarHBondContact O-N 3.4Å; M65-A69 WeakPolarHBondContact O-CB 3.41Å; M65-A69 PolarHBondContact O-N 3.26Å; M65-A69 VanDerWaalsContact O-N 3.12Å; M65-V75 HydrophobicContact CB-CG1 3.81Å; M65-V75 HydrophobicContact CG-CG1 3.73Å; M65-V75 HydrophobicContact SD-CG1 4.11Å; M65-F88 HydrophobicContact CB-CE2 3.87Å; M65-F88 HydrophobicContact CB-CZ 3.81Å; M65-F88 HydrophobicContact CE-CD1 4.44Å; M65-F88 HydrophobicContact CE-CD2 3.67Å; M65-F88 HydrophobicContact CE-CE1 4.43Å; M65-F88 HydrophobicContact CE-CE2 3.65Å; M65-F88 HydrophobicContact CE-CG 4.08Å; M65-F88 HydrophobicContact CE-CZ 4.04Å; M65-L119 HydrophobicContact CE-CD1 4.05Å; M65-L119 HydrophobicContact CE-CD2 3.86Å; M65-L119 HydrophobicContact SD-CD2 3.56Å; M65-L119 VanDerWaalsContact SD-CD2 3.56Å
66	K	98.5	Very high	98.7	Very high	51 Å²	51	25.7 Å²	25.7	22%	0.222	15%	0.152	C	C	.	.	H	α-helix	trans	-66.9	-44.2	176	170.7	43.1	143.2	102.7	0	110.7	V63 L68 A69 D70 F88 N92 M94	V63-K66 PolarHBondContact O-N 3.46Å; K66-L68 VanDerWaalsContact C-N 3.33Å; K66-L68 PolarHBondContact O-N 3.45Å; K66-A69 PolarHBondContact O-N 2.91Å; K66-A69 VanDerWaalsContact O-N 3.14Å; K66-D70 WeakPolarHBondContact CD-OD1 3.41Å; K66-D70 WeakPolarHBondContact CD-OD2 3.38Å; K66-D70 WeakPolarHBondContact CE-OD1 3.38Å; K66-D70 IonicContact NZ-OD1 2.72Å; K66-D70 PolarHBondContact NZ-OD1 2.88Å; K66-D70 IonicContact NZ-OD2 3.53Å; K66-D70 PolarHBondContact NZ-OD2 3.23Å; K66-D70 PolarHBondContact O-N 3.28Å; K66-F88 HydrophobicContact CB-CE2 4.45Å; K66-F88 HydrophobicContact CB-CZ 4.27Å; K66-N92 HydrophobicContact CB-CB 4.45Å; K66-N92 WeakPolarHBondContact CB-OD1 3.28Å; K66-N92 HydrophobicContact CG-CB 4.32Å; K66-N92 WeakPolarHBondContact CG-OD1 3.33Å; K66-M94 HydrophobicContact CB-CE 3.82Å; K66-M94 HydrophobicContact CD-CE 3.15Å; K66-M94 HydrophobicContact CG-CE 3.76Å
67	W	98.8	Very high	98.7	Very high	58 Å²	58	25.4 Å²	25.4	22%	0.22	15%	0.151	C	C	.	.	H	α-helix	trans	-56	-45.8	178.2	176.8	69	0	0	0	112.8	V34 L38 Q39 Y42 V63 D64 D70 L71	V34-W67 HydrophobicContact CB-CG 4.49Å; V34-W67 HydrophobicContact CG1-CB 4.26Å; V34-W67 HydrophobicContact CG1-CD2 3.78Å; V34-W67 HydrophobicContact CG1-CE3 3.77Å; V34-W67 HydrophobicContact CG1-CG 4Å; V34-W67 HydrophobicContact CG1-CZ3 4.43Å; V34-W67 HydrophobicContact CG2-CB 3.56Å; V34-W67 HydrophobicContact CG2-CD2 4.36Å; V34-W67 HydrophobicContact CG2-CG 3.71Å; L38-W67 HydrophobicContact CD2-CE3 3.94Å; L38-W67 HydrophobicContact CD2-CZ3 3.84Å; L38-W67 HydrophobicContact CG-CE3 4.38Å; L38-W67 HydrophobicContact CG-CZ3 3.79Å; Q39-W67 HydrophobicContact CG-CH2 4.22Å; Q39-W67 HydrophobicContact CG-CZ2 4.12Å; Y42-W67 AromaticContact CD2-CH2 3.65Å; Y42-W67 HydrophobicContact CD2-CH2 3.65Å; Y42-W67 AromaticContact CD2-CZ3 3.89Å; Y42-W67 HydrophobicContact CD2-CZ3 3.89Å; Y42-W67 HydrophobicContact CE2-CH2 4.38Å; Y42-W67 AromaticContact CG-CH2 3.76Å; Y42-W67 HydrophobicContact CG-CH2 3.76Å; Y42-W67 HydrophobicContact CG-CZ3 4.4Å; V63-W67 PolarHBondContact O-N 3Å; V63-W67 VanDerWaalsContact O-N 3.13Å; D64-W67 PolarHBondContact O-N 2.85Å; W67-D70 PolarHBondContact O-N 3.13Å; W67-L71 HydrophobicContact CD2-CD1 4.1Å; W67-L71 HydrophobicContact CE3-CD1 4.39Å; W67-L71 HydrophobicContact CH2-CD1 3.95Å; W67-L71 HydrophobicContact CZ2-CD1 3.65Å; W67-L71 HydrophobicContact CZ3-CD1 4.3Å; W67-L71 WeakPolarHBondContact O-CG 3.32Å; W67-L71 PolarHBondContact O-N 3.34Å
68	L	98.8	Very high	98.7	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-66.3	-39.8	176.1	-69.3	171.2	0	0	0	112.7	L38 Y42 W54 F56 D64 K66 D70 L71 G72 H73 V75	L38-L68 HydrophobicContact CD2-CD1 4.42Å; Y42-L68 HydrophobicContact CD2-CD2 3.93Å; Y42-L68 HydrophobicContact CE2-CD2 3.85Å; W54-L68 HydrophobicContact CB-CD1 4.19Å; W54-L68 HydrophobicContact CD2-CD1 3.51Å; W54-L68 HydrophobicContact CD2-CD2 4.21Å; W54-L68 HydrophobicContact CD2-CG 4.46Å; W54-L68 HydrophobicContact CE3-CD1 3.64Å; W54-L68 HydrophobicContact CG-CD1 3.77Å; W54-L68 HydrophobicContact CH2-CD1 4.5Å; W54-L68 HydrophobicContact CH2-CD2 4.09Å; W54-L68 HydrophobicContact CZ2-CD1 4.43Å; W54-L68 HydrophobicContact CZ2-CD2 3.69Å; W54-L68 HydrophobicContact CZ3-CD1 4.15Å; F56-L68 HydrophobicContact CE2-CD1 3.55Å; F56-L68 HydrophobicContact CZ-CD1 3.46Å; F56-L68 VanDerWaalsContact CZ-CD1 3.46Å; D64-L68 WeakPolarHBondContact O-CG 3.41Å; D64-L68 PolarHBondContact O-N 3.49Å; K66-L68 VanDerWaalsContact C-N 3.33Å; K66-L68 PolarHBondContact O-N 3.45Å; L68-D70 VanDerWaalsContact C-N 3.3Å; L68-D70 PolarHBondContact O-N 3.19Å; L68-L71 WeakPolarHBondContact O-CB 3.48Å; L68-L71 PolarHBondContact O-N 3.14Å; L68-L71 VanDerWaalsContact O-N 3.13Å; L68-G72 PolarHBondContact O-N 3.12Å; L68-H73 HydrophobicContact CB-CB 4.4Å; L68-H73 WeakPolarHBondContact O-CB 3.44Å; L68-H73 PolarHBondContact O-N 2.99Å; L68-V75 HydrophobicContact CB-CG2 3.95Å
69	A	98.6	Very high	98.7	Very high	11 Å²	11	23.7 Å²	23.7	9%	0.091	14%	0.141	C	C	.	.	H	α-helix	trans	-61.5	-39.7	176.2	0	0	0	0	0	111.9	M65 K66 L71 G72 V75 V117	M65-A69 WeakPolarHBondContact O-CB 3.41Å; M65-A69 PolarHBondContact O-N 3.26Å; M65-A69 VanDerWaalsContact O-N 3.12Å; K66-A69 PolarHBondContact O-N 2.91Å; K66-A69 VanDerWaalsContact O-N 3.14Å; A69-L71 PolarHBondContact O-N 3.37Å; A69-G72 PolarHBondContact O-N 3.4Å; A69-V75 HydrophobicContact CB-CG2 4.46Å; A69-V117 HydrophobicContact CB-CG2 3.67Å
70	D	98.3	Very high	98.6	Very high	107 Å²	107	25.1 Å²	25.1	57%	0.572	15%	0.146	S	C	*	.	H	α-helix	trans	-65.6	-25.7	175.1	-75.1	-16.5	0	0	0	113.1	K66 W67 L68 G72	K66-D70 WeakPolarHBondContact CD-OD1 3.41Å; K66-D70 WeakPolarHBondContact CD-OD2 3.38Å; K66-D70 WeakPolarHBondContact CE-OD1 3.38Å; K66-D70 IonicContact NZ-OD1 2.72Å; K66-D70 PolarHBondContact NZ-OD1 2.88Å; K66-D70 IonicContact NZ-OD2 3.53Å; K66-D70 PolarHBondContact NZ-OD2 3.23Å; K66-D70 PolarHBondContact O-N 3.28Å; W67-D70 PolarHBondContact O-N 3.13Å; L68-D70 VanDerWaalsContact C-N 3.3Å; L68-D70 PolarHBondContact O-N 3.19Å; D70-G72 PolarHBondContact O-N 2.97Å
71	L	98.4	Very high	98.5	Very high	80 Å²	80	25.4 Å²	25.4	42%	0.419	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	2.5	171.8	-64.4	175.2	0	0	0	113.3	Y42 W67 L68 A69	Y42-L71 HydrophobicContact CD2-CD1 4.38Å; Y42-L71 HydrophobicContact CE1-CD1 4.47Å; Y42-L71 HydrophobicContact CE2-CD1 3.73Å; W67-L71 HydrophobicContact CD2-CD1 4.1Å; W67-L71 HydrophobicContact CE3-CD1 4.39Å; W67-L71 HydrophobicContact CH2-CD1 3.95Å; W67-L71 HydrophobicContact CZ2-CD1 3.65Å; W67-L71 HydrophobicContact CZ3-CD1 4.3Å; W67-L71 WeakPolarHBondContact O-CG 3.32Å; W67-L71 PolarHBondContact O-N 3.34Å; L68-L71 WeakPolarHBondContact O-CB 3.48Å; L68-L71 PolarHBondContact O-N 3.14Å; L68-L71 VanDerWaalsContact O-N 3.13Å; A69-L71 PolarHBondContact O-N 3.37Å
72	G	98.4	Very high	98.4	Very high	52 Å²	52	27.9 Å²	27.9	54%	0.536	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	87.1	16.8	177.4	0	0	0	0	0	114.3	L68 A69 D70	L68-G72 PolarHBondContact O-N 3.12Å; A69-G72 PolarHBondContact O-N 3.4Å; D70-G72 PolarHBondContact O-N 2.97Å
73	H	98.8	Very high	98.3	Very high	5 Å²	5	30.2 Å²	30.2	2%	0.023	17%	0.167	C	C	.	.			trans	-86.9	162.2	172.1	-64.4	-52.6	0	0	0	112.2	Y42 V52 W54 L68	Y42-H73 AromaticContact CE2-NE2 3.53Å; Y42-H73 AromaticContact CZ-NE2 3.66Å; Y42-H73 PolarHBondContact OH-NE2 3Å; V52-H73 PolarHBondContact N-ND1 2.91Å; V52-H73 VanDerWaalsContact O-CB 3.25Å; V52-H73 WeakPolarHBondContact O-CB 3.06Å; V52-H73 PolarHBondContact O-ND1 2.7Å; W54-H73 AromaticContact CD1-CG 3.79Å; W54-H73 AromaticContact NE1-CD2 3.51Å; W54-H73 AromaticContact NE1-CG 3.42Å; W54-H73 AromaticContact NE1-ND1 3.78Å; W54-H73 AromaticContact NE1-NE2 3.88Å; L68-H73 HydrophobicContact CB-CB 4.4Å; L68-H73 WeakPolarHBondContact O-CB 3.44Å; L68-H73 PolarHBondContact O-N 2.99Å
74	S	98.8	Very high	98.3	Very high	38 Å²	38	29.1 Å²	29.1	27%	0.266	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	140.3	166	53	0	0	0	0	109.6	V52 R53 W54 S116	V52-S74 PolarHBondContact O-N 3.28Å; R53-S74 CarbonylContact C-O 3.56Å; R53-S74 WeakPolarHBondContact CA-O 3.34Å; R53-S74 WeakPolarHBondContact CA-OG 3.3Å; R53-S74 WeakPolarHBondContact CB-OG 3.47Å; R53-S74 VanDerWaalsContact CG-OG 3.27Å; R53-S74 WeakPolarHBondContact CG-OG 3.4Å; W54-S74 PolarHBondContact N-O 2.78Å; S74-S116 CarbonylContact C-O 3.47Å; S74-S116 WeakPolarHBondContact CA-O 3.46Å
75	V	98.9	Very high	98.3	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.006	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	132.7	-172.7	-178.3	0	0	0	0	110	W54 F56 M65 L68 A69 S116 V117 S118	W54-V75 HydrophobicContact CB-CG2 4.44Å; F56-V75 HydrophobicContact CD2-CG1 3.74Å; F56-V75 HydrophobicContact CE2-CG1 3.83Å; M65-V75 HydrophobicContact CB-CG1 3.81Å; M65-V75 HydrophobicContact CG-CG1 3.73Å; M65-V75 HydrophobicContact SD-CG1 4.11Å; L68-V75 HydrophobicContact CB-CG2 3.95Å; A69-V75 HydrophobicContact CB-CG2 4.46Å; V75-S116 PolarHBondContact N-O 3.43Å; V75-V117 HydrophobicContact CB-CG2 4.35Å; V75-V117 WeakPolarHBondContact O-CA 3.41Å; V75-S118 PolarHBondContact O-N 3.32Å
76	V	98.9	Very high	98.3	Very high	4 Å²	4	32.7 Å²	32.7	2%	0.024	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	125.8	171.8	177.7	0	0	0	0	109.6	W54 F55 F56 S118 Y120 F127 F135	W54-V76 PolarHBondContact O-N 2.86Å; F55-V76 CarbonylContact C-O 3.57Å; F55-V76 VanDerWaalsContact CA-O 3.27Å; F55-V76 WeakPolarHBondContact CA-O 3.32Å; F55-V76 HydrophobicContact CD2-CB 4.43Å; F55-V76 HydrophobicContact CD2-CG1 4.23Å; F55-V76 WeakPolarHBondContact CD2-O 3.44Å; F56-V76 PolarHBondContact N-O 3.33Å; V76-S118 CarbonylContact C-O 3.59Å; V76-S118 VanDerWaalsContact CA-O 3.24Å; V76-S118 WeakPolarHBondContact CA-O 3.37Å; V76-Y120 HydrophobicContact CG1-CD2 3.69Å; V76-Y120 HydrophobicContact CG1-CE2 3.6Å; V76-F127 HydrophobicContact CG1-CZ 4.05Å; V76-F135 HydrophobicContact CB-CE1 3.54Å; V76-F135 HydrophobicContact CB-CZ 3.98Å; V76-F135 HydrophobicContact CG1-CE1 4.07Å; V76-F135 HydrophobicContact CG1-CZ 3.98Å; V76-F135 HydrophobicContact CG2-CE1 3.7Å; V76-F135 HydrophobicContact CG2-CZ 4.35Å
77	G	98.9	Very high	98.3	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	152.1	174.3	0	0	0	0	0	111.6	F56 S118 L119 Y120	F56-G77 WeakPolarHBondContact O-CA 3.44Å; G77-S118 PolarHBondContact N-O 3.17Å; G77-L119 WeakPolarHBondContact O-CA 3.48Å; G77-Y120 PolarHBondContact O-N 2.93Å
78	V	98.9	Very high	98.3	Very high	2 Å²	2	29.3 Å²	29.3	1%	0.012	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	126.7	166.6	173.4	0	0	0	0	108.5	F55 F56 L58 C59 Y120 L124 F127	F55-V78 HydrophobicContact CE2-CB 4.48Å; F55-V78 HydrophobicContact CE2-CG2 3.76Å; F55-V78 HydrophobicContact CZ-CG2 4.06Å; F56-V78 PolarHBondContact O-N 2.82Å; L58-V78 CarbonylContact C-O 3.53Å; L58-V78 WeakPolarHBondContact CA-O 3.37Å; L58-V78 PolarHBondContact N-O 3.39Å; C59-V78 PolarHBondContact N-O 2.87Å; V78-Y120 WeakPolarHBondContact CA-O 3.41Å; V78-L124 HydrophobicContact CB-CD1 3.98Å; V78-L124 HydrophobicContact CG1-CB 4.25Å; V78-L124 HydrophobicContact CG1-CD1 3.96Å; V78-L124 HydrophobicContact CG2-CD1 4.37Å; V78-F127 HydrophobicContact CG2-CB 4.15Å; V78-F127 HydrophobicContact CG2-CD1 3.8Å; V78-F127 HydrophobicContact CG2-CD2 3.63Å; V78-F127 HydrophobicContact CG2-CE1 3.99Å; V78-F127 HydrophobicContact CG2-CE2 3.84Å; V78-F127 HydrophobicContact CG2-CG 3.59Å; V78-F127 HydrophobicContact CG2-CZ 3.98Å
79	E	98.5	Very high	98.3	Very high	9 Å²	9	29.3 Å²	29.3	4%	0.042	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	132.9	179.4	169.3	53.4	-124	0	0	108.9	C59 G60 S81 A84 I85 Y120 Q121 C122	C59-E79 VanDerWaalsContact SG-CB 3.59Å; G60-E79 WeakPolarHBondContact CA-OE2 3.24Å; G60-E79 PolarHBondContact N-OE2 2.83Å; E79-S81 WeakPolarHBondContact OE1-CB 3.44Å; E79-S81 PolarHBondContact OE1-N 2.9Å; E79-A84 HydrophobicContact CG-CB 3.87Å; E79-I85 HydrophobicContact CB-CD1 4Å; E79-I85 HydrophobicContact CB-CG1 3.91Å; E79-I85 HydrophobicContact CG-CD1 4.28Å; E79-I85 HydrophobicContact CG-CG1 3.98Å; E79-Y120 PolarHBondContact N-O 2.95Å; E79-Q121 VanDerWaalsContact O-CA 3.25Å; E79-Q121 WeakPolarHBondContact O-CA 3.4Å; E79-C122 PolarHBondContact O-N 3.05Å
80	F	96.7	Very high	98.2	Very high	40 Å²	40	35.9 Å²	35.9	18%	0.175	19%	0.19	C	C	.	.	S	Bend	trans	-76.9	-29.9	-178.2	81.8	-84	0	0	0	111.5	L15 W18 S19 E82 Q121 C122	L15-F80 HydrophobicContact CD2-CD1 4.35Å; L15-F80 HydrophobicContact CD2-CD2 4.48Å; L15-F80 HydrophobicContact CD2-CG 4.16Å; W18-F80 HydrophobicContact CB-CE1 3.55Å; W18-F80 HydrophobicContact CB-CE2 4.36Å; W18-F80 HydrophobicContact CB-CZ 3.36Å; W18-F80 HydrophobicContact CG-CE1 4.24Å; W18-F80 HydrophobicContact CG-CZ 4.47Å; S19-F80 WeakPolarHBondContact OG-CE2 3.39Å; F80-E82 PolarHBondContact O-N 3.28Å; F80-Q121 PolarHBondContact O-NE2 2.88Å; F80-C122 WeakPolarHBondContact CA-O 3.27Å
81	S	97	Very high	98.2	Very high	11 Å²	11	35.2 Å²	35.2	8%	0.077	18%	0.183	C	C	.	.			trans	-80.8	104	-176.9	-179.2	0	0	0	0	111.5	E79 M83 A84 I85	E79-S81 WeakPolarHBondContact OE1-CB 3.44Å; E79-S81 PolarHBondContact OE1-N 2.9Å; S81-M83 PolarHBondContact O-N 3.13Å; S81-A84 WeakPolarHBondContact O-CB 3.39Å; S81-A84 PolarHBondContact O-N 3.05Å; S81-A84 PolarHBondContact OG-N 2.94Å; S81-I85 PolarHBondContact O-N 3.38Å
82	E	97	Very high	98.2	Very high	65 Å²	65	33 Å²	33	30%	0.304	17%	0.172	S	C	.	.	H	α-helix	trans	-54.7	-35.6	171.6	-171.1	179.6	133.8	0	0	111.7	F80 A84 I85 R86 K108 F110 Q121	F80-E82 PolarHBondContact O-N 3.28Å; E82-A84 VanDerWaalsContact C-N 3.35Å; E82-A84 PolarHBondContact O-N 3.2Å; E82-I85 PolarHBondContact O-N 2.78Å; E82-R86 HydrophobicContact CG-CG 4.4Å; E82-R86 WeakPolarHBondContact O-CG 3.28Å; E82-R86 PolarHBondContact O-N 3.05Å; E82-R86 IonicContact OE1-CZ 2.72Å; E82-R86 IonicContact OE1-NE 2.64Å; E82-R86 PolarHBondContact OE1-NE 3.04Å; E82-R86 IonicContact OE1-NH2 3.68Å; E82-R86 PolarHBondContact OE1-NH2 3.47Å; E82-K108 IonicContact OE2-NZ 3.28Å; E82-F110 HydrophobicContact CG-CE1 4.49Å; E82-F110 HydrophobicContact CG-CE2 4.29Å; E82-F110 HydrophobicContact CG-CZ 3.7Å; E82-Q121 HydrophobicContact CB-CG 4.05Å
83	M	97.1	Very high	98.1	Very high	69 Å²	69	37.9 Å²	37.9	34%	0.34	19%	0.185	S	C	.	.	H	α-helix	trans	-63.6	-40.3	178.6	-171.4	175.6	74	0	0	112.2	W22 S81 Q87	W22-M83 HydrophobicContact CB-CE 3.53Å; W22-M83 HydrophobicContact CE3-CE 4.24Å; W22-M83 HydrophobicContact CG-CE 4.45Å; W22-M83 WeakPolarHBondContact O-CE 3.4Å; S81-M83 PolarHBondContact O-N 3.13Å; M83-Q87 WeakPolarHBondContact O-CB 3.47Å; M83-Q87 VanDerWaalsContact O-CG 3.27Å; M83-Q87 WeakPolarHBondContact O-CG 3.41Å; M83-Q87 PolarHBondContact O-N 3.16Å
84	A	97.8	Very high	98	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-63.9	-44.2	176.4	0	0	0	0	0	111.4	W22 E79 S81 E82 Q87 F88	W22-A84 HydrophobicContact CD2-CB 3.84Å; W22-A84 VanDerWaalsContact CE2-CB 3.49Å; W22-A84 HydrophobicContact CE3-CB 3.92Å; W22-A84 HydrophobicContact CH2-CB 3.44Å; W22-A84 VanDerWaalsContact CH2-CB 3.44Å; W22-A84 HydrophobicContact CZ2-CB 3.31Å; W22-A84 HydrophobicContact CZ3-CB 3.74Å; E79-A84 HydrophobicContact CG-CB 3.87Å; S81-A84 WeakPolarHBondContact O-CB 3.39Å; S81-A84 PolarHBondContact O-N 3.05Å; S81-A84 PolarHBondContact OG-N 2.94Å; E82-A84 VanDerWaalsContact C-N 3.35Å; E82-A84 PolarHBondContact O-N 3.2Å; A84-Q87 PolarHBondContact O-N 3.09Å; A84-F88 PolarHBondContact O-N 2.56Å
85	I	98.6	Very high	98	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-60.9	-48.3	177.8	-69.2	165	0	0	0	110.7	E79 S81 E82 Q87 F88 F89 F110 L119 Q121	E79-I85 HydrophobicContact CB-CD1 4Å; E79-I85 HydrophobicContact CB-CG1 3.91Å; E79-I85 HydrophobicContact CG-CD1 4.28Å; E79-I85 HydrophobicContact CG-CG1 3.98Å; S81-I85 PolarHBondContact O-N 3.38Å; E82-I85 PolarHBondContact O-N 2.78Å; I85-Q87 PolarHBondContact O-N 2.87Å; I85-F88 WeakPolarHBondContact O-CB 3.46Å; I85-F88 PolarHBondContact O-N 3.48Å; I85-F89 HydrophobicContact CG2-CD2 4.04Å; I85-F89 HydrophobicContact CG2-CE2 3.72Å; I85-F89 VanDerWaalsContact O-CD2 3.22Å; I85-F89 WeakPolarHBondContact O-CD2 3.45Å; I85-F89 PolarHBondContact O-N 3.26Å; I85-F110 HydrophobicContact CD1-CD2 4.37Å; I85-F110 HydrophobicContact CG2-CB 3.69Å; I85-F110 HydrophobicContact CG2-CD1 4.04Å; I85-F110 HydrophobicContact CG2-CD2 3.65Å; I85-F110 HydrophobicContact CG2-CE2 4.3Å; I85-F110 HydrophobicContact CG2-CG 3.51Å; I85-L119 HydrophobicContact CB-CD1 4.48Å; I85-L119 HydrophobicContact CD1-CB 4.42Å; I85-L119 HydrophobicContact CG1-CB 4.13Å; I85-L119 HydrophobicContact CG1-CD1 4.32Å; I85-L119 HydrophobicContact CG2-CB 3.91Å; I85-L119 HydrophobicContact CG2-CD1 4.02Å; I85-Q121 HydrophobicContact CD1-CB 3.65Å; I85-Q121 HydrophobicContact CD1-CG 4.06Å
86	R	98.4	Very high	97.9	Very high	84 Å²	84	44.4 Å²	44.4	32%	0.317	22%	0.217	S	C	.	.	H	α-helix	trans	-63.5	-41.2	177.7	-69.6	-175.5	-175.6	-72.2	-2.4	112	E82 F88 F89 Q90 F96 E98 F110	E82-R86 HydrophobicContact CG-CG 4.4Å; E82-R86 WeakPolarHBondContact O-CG 3.28Å; E82-R86 PolarHBondContact O-N 3.05Å; E82-R86 IonicContact OE1-CZ 2.72Å; E82-R86 IonicContact OE1-NE 2.64Å; E82-R86 PolarHBondContact OE1-NE 3.04Å; E82-R86 IonicContact OE1-NH2 3.68Å; E82-R86 PolarHBondContact OE1-NH2 3.47Å; R86-F88 VanDerWaalsContact C-N 3.33Å; R86-F88 PolarHBondContact O-N 2.86Å; R86-F89 PolarHBondContact O-N 2.67Å; R86-Q90 WeakPolarHBondContact O-CB 3.48Å; R86-Q90 PolarHBondContact O-N 2.88Å; R86-F96 HydrophobicContact CG-CZ 4.35Å; R86-E98 IonicContact CZ-OE2 3.16Å; R86-E98 IonicContact NH1-OE2 2.77Å; R86-E98 IonicContact NH2-OE1 3.84Å; R86-E98 IonicContact NH2-OE2 2.71Å; R86-E98 PolarHBondContact NH2-OE2 2.95Å; R86-F110 HydrophobicContact CG-CE1 4.37Å
87	Q	98.2	Very high	97.9	Very high	38 Å²	38	46.8 Å²	46.8	18%	0.178	23%	0.234	C	C	.	.	H	α-helix	trans	-60.5	-41.7	174.2	-77.5	-179.6	8.5	0	0	111.7	K61 M83 A84 I85 F89 Q90 E91	K61-Q87 HydrophobicContact CD-CB 3.94Å; K61-Q87 VanDerWaalsContact NZ-OE1 3.07Å; M83-Q87 WeakPolarHBondContact O-CB 3.47Å; M83-Q87 VanDerWaalsContact O-CG 3.27Å; M83-Q87 WeakPolarHBondContact O-CG 3.41Å; M83-Q87 PolarHBondContact O-N 3.16Å; A84-Q87 PolarHBondContact O-N 3.09Å; I85-Q87 PolarHBondContact O-N 2.87Å; Q87-F89 PolarHBondContact O-N 2.97Å; Q87-Q90 PolarHBondContact O-N 2.84Å; Q87-E91 VanDerWaalsContact O-CB 3.27Å; Q87-E91 WeakPolarHBondContact O-CB 3.37Å; Q87-E91 VanDerWaalsContact O-CG 3.26Å; Q87-E91 WeakPolarHBondContact O-CG 3.41Å; Q87-E91 PolarHBondContact O-N 2.97Å
88	F	98.7	Very high	97.9	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-55.2	-53.4	176.2	171.6	-96.3	0	0	0	111.7	K61 A62 M65 K66 A84 I85 R86 Q90 N92 M94 V117 L119	K61-F88 HydrophobicContact CB-CB 3.74Å; K61-F88 HydrophobicContact CB-CD2 4.45Å; A62-F88 VanDerWaalsContact O-CE2 3.3Å; A62-F88 WeakPolarHBondContact O-CE2 3.34Å; M65-F88 HydrophobicContact CB-CE2 3.87Å; M65-F88 HydrophobicContact CB-CZ 3.81Å; M65-F88 HydrophobicContact CE-CD1 4.44Å; M65-F88 HydrophobicContact CE-CD2 3.67Å; M65-F88 HydrophobicContact CE-CE1 4.43Å; M65-F88 HydrophobicContact CE-CE2 3.65Å; M65-F88 HydrophobicContact CE-CG 4.08Å; M65-F88 HydrophobicContact CE-CZ 4.04Å; K66-F88 HydrophobicContact CB-CE2 4.45Å; K66-F88 HydrophobicContact CB-CZ 4.27Å; A84-F88 PolarHBondContact O-N 2.56Å; I85-F88 WeakPolarHBondContact O-CB 3.46Å; I85-F88 PolarHBondContact O-N 3.48Å; R86-F88 VanDerWaalsContact C-N 3.33Å; R86-F88 PolarHBondContact O-N 2.86Å; F88-Q90 PolarHBondContact O-N 2.96Å; F88-N92 VanDerWaalsContact CD2-ND2 3.33Å; F88-N92 WeakPolarHBondContact CD2-ND2 3.4Å; F88-N92 VanDerWaalsContact CE2-ND2 3.34Å; F88-N92 WeakPolarHBondContact CE2-ND2 3.22Å; F88-N92 WeakPolarHBondContact O-CB 3.49Å; F88-N92 PolarHBondContact O-N 2.97Å; F88-N92 PolarHBondContact O-ND2 3.06Å; F88-M94 HydrophobicContact CE1-CE 4.44Å; F88-M94 HydrophobicContact CE1-SD 3.96Å; F88-M94 HydrophobicContact CZ-CE 4.32Å; F88-M94 HydrophobicContact CZ-SD 4.41Å; F88-V117 HydrophobicContact CE1-CG1 3.89Å; F88-V117 HydrophobicContact CZ-CG1 4.31Å; F88-L119 HydrophobicContact CB-CD1 4.25Å; F88-L119 HydrophobicContact CD1-CD1 3.49Å; F88-L119 VanDerWaalsContact CD1-CD1 3.49Å; F88-L119 HydrophobicContact CE1-CD1 4.07Å; F88-L119 HydrophobicContact CG-CD1 3.97Å
89	F	98.6	Very high	97.8	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-65.2	-40.4	-179	-71.2	-71.2	0	0	0	112	I85 R86 Q87 N93 M94 F96 F110 N112 L119	I85-F89 HydrophobicContact CG2-CD2 4.04Å; I85-F89 HydrophobicContact CG2-CE2 3.72Å; I85-F89 VanDerWaalsContact O-CD2 3.22Å; I85-F89 WeakPolarHBondContact O-CD2 3.45Å; I85-F89 PolarHBondContact O-N 3.26Å; R86-F89 PolarHBondContact O-N 2.67Å; Q87-F89 PolarHBondContact O-N 2.97Å; F89-N93 PolarHBondContact O-N 3.27Å; F89-M94 HydrophobicContact CB-CB 4.38Å; F89-M94 HydrophobicContact CD1-CB 3.74Å; F89-M94 HydrophobicContact CD1-SD 3.89Å; F89-M94 HydrophobicContact CE1-SD 4.18Å; F89-M94 PolarHBondContact O-N 3.2Å; F89-F96 HydrophobicContact CB-CD1 3.36Å; F89-F96 HydrophobicContact CB-CE1 3.71Å; F89-F96 HydrophobicContact CB-CG 4.26Å; F89-F96 HydrophobicContact CD1-CB 3.92Å; F89-F96 HydrophobicContact CD1-CD1 4.15Å; F89-F96 HydrophobicContact CD1-CG 4.32Å; F89-F96 HydrophobicContact CD2-CB 4.21Å; F89-F96 AromaticContact CD2-CD1 3.81Å; F89-F96 HydrophobicContact CD2-CD1 3.81Å; F89-F96 HydrophobicContact CD2-CE1 4.28Å; F89-F96 AromaticContact CD2-CG 3.92Å; F89-F96 HydrophobicContact CD2-CG 3.92Å; F89-F96 HydrophobicContact CE1-CB 4.04Å; F89-F96 HydrophobicContact CE2-CB 4.33Å; F89-F96 HydrophobicContact CE2-CG 4.37Å; F89-F96 HydrophobicContact CG-CB 4.02Å; F89-F96 AromaticContact CG-CD1 3.51Å; F89-F96 HydrophobicContact CG-CD1 3.51Å; F89-F96 HydrophobicContact CG-CE1 4.18Å; F89-F96 AromaticContact CG-CG 3.91Å; F89-F96 HydrophobicContact CG-CG 3.91Å; F89-F96 HydrophobicContact CZ-CB 4.24Å; F89-F110 HydrophobicContact CD2-CB 4.33Å; F89-F110 HydrophobicContact CE2-CB 3.44Å; F89-F110 VanDerWaalsContact CE2-CB 3.44Å; F89-F110 HydrophobicContact CE2-CG 4.44Å; F89-F110 HydrophobicContact CZ-CB 4.03Å; F89-F110 WeakPolarHBondContact CZ-O 3.23Å; F89-N112 HydrophobicContact CE1-CB 4.02Å; F89-L119 HydrophobicContact CE2-CB 4.34Å; F89-L119 HydrophobicContact CE2-CD1 3.83Å; F89-L119 HydrophobicContact CE2-CG 4.08Å; F89-L119 HydrophobicContact CZ-CB 4.49Å; F89-L119 HydrophobicContact CZ-CD1 4.06Å; F89-L119 HydrophobicContact CZ-CG 3.97Å
90	Q	98.1	Very high	97.8	Very high	149 Å²	149	61.2 Å²	61.2	70%	0.696	31%	0.305	S	S	*	.	H	α-helix	trans	-62.6	-49.3	177.8	-175.9	179.9	3.4	0	0	112.1	R86 Q87 F88 N92 N93	R86-Q90 WeakPolarHBondContact O-CB 3.48Å; R86-Q90 PolarHBondContact O-N 2.88Å; Q87-Q90 PolarHBondContact O-N 2.84Å; F88-Q90 PolarHBondContact O-N 2.96Å; Q90-N92 VanDerWaalsContact C-N 3.29Å; Q90-N92 PolarHBondContact O-N 3.02Å; Q90-N93 PolarHBondContact O-N 3.13Å
91	E	97.9	Very high	97.9	Very high	93 Å²	93	60 Å²	60	44%	0.435	30%	0.301	S	S	.	.	H	α-helix	trans	-68	-30.2	-177.4	-71.1	172.5	-172.3	0	0	112.1	K61 Q87 N93	K61-E91 WeakPolarHBondContact CD-OE2 3.5Å; K61-E91 WeakPolarHBondContact CE-OE2 3.45Å; K61-E91 VanDerWaalsContact NZ-CD 3.31Å; K61-E91 IonicContact NZ-OE1 2.68Å; K61-E91 PolarHBondContact NZ-OE1 2.83Å; K61-E91 IonicContact NZ-OE2 2.67Å; K61-E91 PolarHBondContact NZ-OE2 2.91Å; K61-E91 VanDerWaalsContact NZ-OE2 3.14Å; Q87-E91 VanDerWaalsContact O-CB 3.27Å; Q87-E91 WeakPolarHBondContact O-CB 3.37Å; Q87-E91 VanDerWaalsContact O-CG 3.26Å; Q87-E91 WeakPolarHBondContact O-CG 3.41Å; Q87-E91 PolarHBondContact O-N 2.97Å; E91-N93 VanDerWaalsContact C-N 3.33Å
92	N	97.4	Very high	97.8	Very high	32 Å²	32	65.7 Å²	65.7	17%	0.171	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	7.6	176.5	-69.5	-80.5	0	0	0	113.7	K66 F88 Q90 M94	K66-N92 HydrophobicContact CB-CB 4.45Å; K66-N92 WeakPolarHBondContact CB-OD1 3.28Å; K66-N92 HydrophobicContact CG-CB 4.32Å; K66-N92 WeakPolarHBondContact CG-OD1 3.33Å; F88-N92 VanDerWaalsContact CD2-ND2 3.33Å; F88-N92 WeakPolarHBondContact CD2-ND2 3.4Å; F88-N92 VanDerWaalsContact CE2-ND2 3.34Å; F88-N92 WeakPolarHBondContact CE2-ND2 3.22Å; F88-N92 WeakPolarHBondContact O-CB 3.49Å; F88-N92 PolarHBondContact O-N 2.97Å; F88-N92 PolarHBondContact O-ND2 3.06Å; Q90-N92 VanDerWaalsContact C-N 3.29Å; Q90-N92 PolarHBondContact O-N 3.02Å; N92-M94 VanDerWaalsContact C-N 3.25Å; N92-M94 HydrophobicContact CB-CE 4.1Å; N92-M94 HydrophobicContact CB-CG 4.16Å; N92-M94 HydrophobicContact CB-SD 4.34Å; N92-M94 PolarHBondContact O-N 3.13Å
93	N	96.7	Very high	97.6	Very high	155 Å²	155	65.9 Å²	65.9	83%	0.829	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.9	41.4	-178.3	-59	-66.5	0	0	0	113.4	F89 Q90 E91	F89-N93 PolarHBondContact O-N 3.27Å; Q90-N93 PolarHBondContact O-N 3.13Å; E91-N93 VanDerWaalsContact C-N 3.33Å
94	M	97.2	Very high	97.6	Very high	21 Å²	21	63.1 Å²	63.1	10%	0.103	34%	0.338	C	S	.	.			trans	-103.9	130.5	178.8	-69.7	-179.4	-175.8	0	0	110.9	K66 F88 F89 N92 N112 V117	K66-M94 HydrophobicContact CB-CE 3.82Å; K66-M94 HydrophobicContact CD-CE 3.15Å; K66-M94 HydrophobicContact CG-CE 3.76Å; F88-M94 HydrophobicContact CE1-CE 4.44Å; F88-M94 HydrophobicContact CE1-SD 3.96Å; F88-M94 HydrophobicContact CZ-CE 4.32Å; F88-M94 HydrophobicContact CZ-SD 4.41Å; F89-M94 HydrophobicContact CB-CB 4.38Å; F89-M94 HydrophobicContact CD1-CB 3.74Å; F89-M94 HydrophobicContact CD1-SD 3.89Å; F89-M94 HydrophobicContact CE1-SD 4.18Å; F89-M94 PolarHBondContact O-N 3.2Å; N92-M94 VanDerWaalsContact C-N 3.25Å; N92-M94 HydrophobicContact CB-CE 4.1Å; N92-M94 HydrophobicContact CB-CG 4.16Å; N92-M94 HydrophobicContact CB-SD 4.34Å; N92-M94 PolarHBondContact O-N 3.13Å; M94-N112 HydrophobicContact SD-CB 4.28Å; M94-V117 HydrophobicContact CE-CG2 4.36Å
95	T	97.6	Very high	97.4	Very high	92 Å²	92	69.3 Å²	69.3	56%	0.564	38%	0.378	S	S	*	.			trans	-77.2	142.4	164.6	48.5	0	0	0	0	109.9	N112 S113	T95-N112 VanDerWaalsContact O-CA 3.23Å; T95-N112 WeakPolarHBondContact O-CA 3.38Å; T95-S113 PolarHBondContact O-N 2.79Å; T95-S113 VanDerWaalsContact O-N 3.1Å; T95-S113 PolarHBondContact O-OG 3.1Å; T95-S113 PolarHBondContact OG1-OG 3.2Å
96	F	98.4	Very high	97.2	Very high	68 Å²	68	72.8 Å²	72.8	30%	0.298	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	153.3	-179.6	64.4	-88.3	0	0	0	112.4	R86 F89 F110 Q111	R86-F96 HydrophobicContact CG-CZ 4.35Å; F89-F96 HydrophobicContact CB-CD1 3.36Å; F89-F96 HydrophobicContact CB-CE1 3.71Å; F89-F96 HydrophobicContact CB-CG 4.26Å; F89-F96 HydrophobicContact CD1-CB 3.92Å; F89-F96 HydrophobicContact CD1-CD1 4.15Å; F89-F96 HydrophobicContact CD1-CG 4.32Å; F89-F96 HydrophobicContact CD2-CB 4.21Å; F89-F96 AromaticContact CD2-CD1 3.81Å; F89-F96 HydrophobicContact CD2-CD1 3.81Å; F89-F96 HydrophobicContact CD2-CE1 4.28Å; F89-F96 AromaticContact CD2-CG 3.92Å; F89-F96 HydrophobicContact CD2-CG 3.92Å; F89-F96 HydrophobicContact CE1-CB 4.04Å; F89-F96 HydrophobicContact CE2-CB 4.33Å; F89-F96 HydrophobicContact CE2-CG 4.37Å; F89-F96 HydrophobicContact CG-CB 4.02Å; F89-F96 AromaticContact CG-CD1 3.51Å; F89-F96 HydrophobicContact CG-CD1 3.51Å; F89-F96 HydrophobicContact CG-CE1 4.18Å; F89-F96 AromaticContact CG-CG 3.91Å; F89-F96 HydrophobicContact CG-CG 3.91Å; F89-F96 HydrophobicContact CZ-CB 4.24Å; F96-F110 HydrophobicContact CD2-CB 4.4Å; F96-F110 AromaticContact CD2-CD1 3.65Å; F96-F110 HydrophobicContact CD2-CD1 3.65Å; F96-F110 HydrophobicContact CD2-CE1 4.48Å; F96-F110 AromaticContact CE2-CD1 3.48Å; F96-F110 HydrophobicContact CE2-CD1 3.48Å; F96-F110 VanDerWaalsContact CE2-CD1 3.48Å; F96-F110 AromaticContact CE2-CE1 3.92Å; F96-F110 HydrophobicContact CE2-CE1 3.92Å; F96-F110 HydrophobicContact CZ-CD1 4.42Å; F96-Q111 CarbonylContact C-O 3.53Å; F96-Q111 WeakPolarHBondContact CA-O 3.46Å; F96-Q111 VanDerWaalsContact CB-O 3.29Å; F96-Q111 WeakPolarHBondContact CB-O 3.45Å
97	S	98.3	Very high	97.2	Very high	54 Å²	54	69 Å²	69	38%	0.378	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	161.7	162.7	58.5	0	0	0	0	110.3	F110 Q111	S97-F110 VanDerWaalsContact O-CA 3.3Å; S97-F110 WeakPolarHBondContact O-CA 3.18Å; S97-Q111 PolarHBondContact N-O 3.15Å; S97-Q111 PolarHBondContact O-N 2.74Å
98	E	98.2	Very high	97.2	Very high	73 Å²	73	69.7 Å²	69.7	34%	0.341	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	128.9	177.7	-179.8	-177.3	150	0	0	108.4	R86 K108 V109 F110	R86-E98 IonicContact CZ-OE2 3.16Å; R86-E98 IonicContact NH1-OE2 2.77Å; R86-E98 IonicContact NH2-OE1 3.84Å; R86-E98 IonicContact NH2-OE2 2.71Å; R86-E98 PolarHBondContact NH2-OE2 2.95Å; E98-K108 HydrophobicContact CG-CB 4.45Å; E98-K108 HydrophobicContact CG-CD 4.25Å; E98-K108 WeakPolarHBondContact OE1-CD 3.46Å; E98-K108 WeakPolarHBondContact OE1-CE 3.24Å; E98-K108 IonicContact OE1-NZ 3.97Å; E98-K108 PolarHBondContact OE1-NZ 3.33Å; E98-V109 WeakPolarHBondContact CA-O 3.35Å; E98-F110 HydrophobicContact CB-CD1 4.25Å; E98-F110 HydrophobicContact CB-CE1 4.15Å; E98-F110 HydrophobicContact CG-CD1 4.24Å; E98-F110 HydrophobicContact CG-CE1 3.78Å; E98-F110 HydrophobicContact CG-CE2 4.42Å; E98-F110 HydrophobicContact CG-CZ 3.88Å; E98-F110 VanDerWaalsContact OE2-CE1 3.26Å; E98-F110 WeakPolarHBondContact OE2-CE1 3.36Å
99	E	98.1	Very high	97.2	Very high	121 Å²	121	70.8 Å²	70.8	57%	0.565	41%	0.409	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-136.4	149.9	179.3	-63	-177	-174.9	0	0	110.5	K108 V109	E99-K108 CarbonylContact O-C 3.56Å; E99-K108 VanDerWaalsContact O-CA 3.27Å; E99-K108 WeakPolarHBondContact O-CA 3.44Å; E99-V109 HydrophobicContact CB-CG1 4.05Å; E99-V109 PolarHBondContact N-O 2.92Å; E99-V109 PolarHBondContact O-N 2.79Å
100	D	98.1	Very high	97.2	Very high	120 Å²	120	70.8 Å²	70.8	64%	0.642	41%	0.409	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69	150.4	171.2	-69.1	-33.7	0	0	0	110.5	P102	D100-P102 WeakPolarHBondContact O-CD 3.4Å
101	V	97.8	Very high	97.2	Very high	14 Å²	14	67.1 Å²	67.1	9%	0.085	39%	0.392	C	S	.	.			trans	-104.5	99	176.6	-178.3	0	0	0	0	109.1	A103 V104 A107 V109 Y120 V131	V101-A103 PolarHBondContact O-N 3.19Å; V101-V104 HydrophobicContact CG1-CB 4.23Å; V101-V104 HydrophobicContact CG1-CG2 4.25Å; V101-V104 CarbonylContact O-C 3.57Å; V101-V104 PolarHBondContact O-N 2.86Å; V101-A107 HydrophobicContact CB-CB 4.1Å; V101-A107 HydrophobicContact CG2-CB 4.38Å; V101-A107 PolarHBondContact N-O 3.19Å; V101-V109 HydrophobicContact CG2-CB 3.89Å; V101-V109 HydrophobicContact CG2-CG1 4.1Å; V101-Y120 HydrophobicContact CG1-CD1 4.46Å; V101-Y120 HydrophobicContact CG1-CE1 4.32Å; V101-Y120 HydrophobicContact CG2-CD1 3.82Å; V101-Y120 HydrophobicContact CG2-CE1 3.98Å; V101-V131 HydrophobicContact CG1-CG1 3.79Å
102	P	94.7	Very high	97.2	Very high	132 Å²	132	63 Å²	63	86%	0.857	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-28.2	-170.4	-26.6	36.1	0	0	0	114.4	D100 V104	D100-P102 WeakPolarHBondContact O-CD 3.4Å; P102-V104 VanDerWaalsContact C-N 3.29Å; P102-V104 PolarHBondContact O-N 3.4Å
103	A	94.3	Very high	97.2	Very high	68 Å²	68	65.5 Å²	65.5	56%	0.562	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-15.2	179.2	0	0	0	0	0	113.8	V101 V131	V101-A103 PolarHBondContact O-N 3.19Å; A103-V131 HydrophobicContact CB-CG2 4.08Å
104	V	95.7	Very high	97.1	Very high	12 Å²	12	64.9 Å²	64.9	7%	0.073	39%	0.385	C	S	.	.	S	Bend	trans	-133.1	102.5	-176.8	-175.1	0	0	0	0	109.2	V101 P102 G106 A107 C122 S126 V131	V101-V104 HydrophobicContact CG1-CB 4.23Å; V101-V104 HydrophobicContact CG1-CG2 4.25Å; V101-V104 CarbonylContact O-C 3.57Å; V101-V104 PolarHBondContact O-N 2.86Å; P102-V104 VanDerWaalsContact C-N 3.29Å; P102-V104 PolarHBondContact O-N 3.4Å; V104-G106 PolarHBondContact O-N 2.99Å; V104-A107 HydrophobicContact CB-CB 3.7Å; V104-A107 HydrophobicContact CG1-CB 3.57Å; V104-A107 VanDerWaalsContact O-CB 3.32Å; V104-A107 WeakPolarHBondContact O-CB 3.39Å; V104-A107 PolarHBondContact O-N 3.36Å; V104-C122 HydrophobicContact CG1-CB 4.29Å; V104-S126 WeakPolarHBondContact CG2-O 3.46Å; V104-V131 HydrophobicContact CG2-CG2 3.72Å
105	P	94.4	Very high	97.1	Very high	129 Å²	129	65.5 Å²	65.5	84%	0.838	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	126.9	-176.7	-28.5	35.7	0	0	0	113.4	A107	P105-A107 PolarHBondContact O-N 3.06Å
106	G	94.3	Very high	97.1	Very high	74 Å²	74	62.5 Å²	62.5	76%	0.763	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.4	0.9	178.8	0	0	0	0	0	115	V104	V104-G106 PolarHBondContact O-N 2.99Å
107	A	97.7	Very high	97.1	Very high	4 Å²	4	59.2 Å²	59.2	3%	0.033	37%	0.366	C	S	.	.			trans	-85.8	151.4	174.5	0	0	0	0	0	111.8	V101 V104 P105 Q121 C122	V101-A107 HydrophobicContact CB-CB 4.1Å; V101-A107 HydrophobicContact CG2-CB 4.38Å; V101-A107 PolarHBondContact N-O 3.19Å; V104-A107 HydrophobicContact CB-CB 3.7Å; V104-A107 HydrophobicContact CG1-CB 3.57Å; V104-A107 VanDerWaalsContact O-CB 3.32Å; V104-A107 WeakPolarHBondContact O-CB 3.39Å; V104-A107 PolarHBondContact O-N 3.36Å; P105-A107 PolarHBondContact O-N 3.06Å; A107-Q121 VanDerWaalsContact CA-O 3.29Å; A107-Q121 WeakPolarHBondContact CA-O 3.5Å; A107-Q121 WeakPolarHBondContact CB-O 3.41Å; A107-C122 HydrophobicContact CB-CB 3.72Å
108	K	98.4	Very high	97.1	Very high	53 Å²	53	57.2 Å²	57.2	23%	0.23	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	154.3	176.9	-66.1	167.4	169	-168.4	0	110.6	E82 E98 E99 F110 Y120 Q121	E82-K108 IonicContact OE2-NZ 3.28Å; E98-K108 HydrophobicContact CG-CB 4.45Å; E98-K108 HydrophobicContact CG-CD 4.25Å; E98-K108 WeakPolarHBondContact OE1-CD 3.46Å; E98-K108 WeakPolarHBondContact OE1-CE 3.24Å; E98-K108 IonicContact OE1-NZ 3.97Å; E98-K108 PolarHBondContact OE1-NZ 3.33Å; E99-K108 CarbonylContact O-C 3.56Å; E99-K108 VanDerWaalsContact O-CA 3.27Å; E99-K108 WeakPolarHBondContact O-CA 3.44Å; K108-F110 HydrophobicContact CB-CD2 4.49Å; K108-F110 HydrophobicContact CB-CE2 3.86Å; K108-F110 HydrophobicContact CB-CZ 4.5Å; K108-F110 HydrophobicContact CD-CZ 4.44Å; K108-Y120 CarbonylContact O-C 3.46Å; K108-Y120 WeakPolarHBondContact O-CA 3.42Å; K108-Q121 HydrophobicContact CB-CB 4.34Å; K108-Q121 PolarHBondContact N-O 3.18Å; K108-Q121 PolarHBondContact O-N 3.26Å
109	V	98.7	Very high	97.1	Very high	22 Å²	22	53.8 Å²	53.8	13%	0.133	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	132.3	168.1	61.9	0	0	0	0	109.2	E98 E99 V101 L119 Y120	E98-V109 WeakPolarHBondContact CA-O 3.35Å; E99-V109 HydrophobicContact CB-CG1 4.05Å; E99-V109 PolarHBondContact N-O 2.92Å; E99-V109 PolarHBondContact O-N 2.79Å; V101-V109 HydrophobicContact CG2-CB 3.89Å; V101-V109 HydrophobicContact CG2-CG1 4.1Å; V109-L119 WeakPolarHBondContact CA-O 3.47Å; V109-Y120 HydrophobicContact CB-CD1 3.99Å; V109-Y120 HydrophobicContact CB-CE1 3.93Å; V109-Y120 HydrophobicContact CB-CG 4.47Å; V109-Y120 HydrophobicContact CG2-CD1 4.14Å; V109-Y120 HydrophobicContact CG2-CD2 4.18Å; V109-Y120 HydrophobicContact CG2-CE1 3.93Å; V109-Y120 HydrophobicContact CG2-CE2 3.97Å; V109-Y120 HydrophobicContact CG2-CG 4.26Å
110	F	98.8	Very high	97.2	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	118	175	-64.3	-102.6	0	0	0	107.6	E82 I85 R86 F89 F96 S97 E98 K108 S118 L119 Q121	E82-F110 HydrophobicContact CG-CE1 4.49Å; E82-F110 HydrophobicContact CG-CE2 4.29Å; E82-F110 HydrophobicContact CG-CZ 3.7Å; I85-F110 HydrophobicContact CD1-CD2 4.37Å; I85-F110 HydrophobicContact CG2-CB 3.69Å; I85-F110 HydrophobicContact CG2-CD1 4.04Å; I85-F110 HydrophobicContact CG2-CD2 3.65Å; I85-F110 HydrophobicContact CG2-CE2 4.3Å; I85-F110 HydrophobicContact CG2-CG 3.51Å; R86-F110 HydrophobicContact CG-CE1 4.37Å; F89-F110 HydrophobicContact CD2-CB 4.33Å; F89-F110 HydrophobicContact CE2-CB 3.44Å; F89-F110 VanDerWaalsContact CE2-CB 3.44Å; F89-F110 HydrophobicContact CE2-CG 4.44Å; F89-F110 HydrophobicContact CZ-CB 4.03Å; F89-F110 WeakPolarHBondContact CZ-O 3.23Å; F96-F110 HydrophobicContact CD2-CB 4.4Å; F96-F110 AromaticContact CD2-CD1 3.65Å; F96-F110 HydrophobicContact CD2-CD1 3.65Å; F96-F110 HydrophobicContact CD2-CE1 4.48Å; F96-F110 AromaticContact CE2-CD1 3.48Å; F96-F110 HydrophobicContact CE2-CD1 3.48Å; F96-F110 VanDerWaalsContact CE2-CD1 3.48Å; F96-F110 AromaticContact CE2-CE1 3.92Å; F96-F110 HydrophobicContact CE2-CE1 3.92Å; F96-F110 HydrophobicContact CZ-CD1 4.42Å; S97-F110 VanDerWaalsContact O-CA 3.3Å; S97-F110 WeakPolarHBondContact O-CA 3.18Å; E98-F110 HydrophobicContact CB-CD1 4.25Å; E98-F110 HydrophobicContact CB-CE1 4.15Å; E98-F110 HydrophobicContact CG-CD1 4.24Å; E98-F110 HydrophobicContact CG-CE1 3.78Å; E98-F110 HydrophobicContact CG-CE2 4.42Å; E98-F110 HydrophobicContact CG-CZ 3.88Å; E98-F110 VanDerWaalsContact OE2-CE1 3.26Å; E98-F110 WeakPolarHBondContact OE2-CE1 3.36Å; K108-F110 HydrophobicContact CB-CD2 4.49Å; K108-F110 HydrophobicContact CB-CE2 3.86Å; K108-F110 HydrophobicContact CB-CZ 4.5Å; K108-F110 HydrophobicContact CD-CZ 4.44Å; F110-S118 CarbonylContact O-C 3.5Å; F110-S118 WeakPolarHBondContact O-CA 3.41Å; F110-L119 PolarHBondContact N-O 3.45Å; F110-L119 PolarHBondContact O-N 3.25Å; F110-Q121 HydrophobicContact CD2-CB 4.29Å; F110-Q121 HydrophobicContact CE2-CB 3.79Å; F110-Q121 HydrophobicContact CE2-CG 4.47Å
111	Q	98.6	Very high	97.2	Very high	73 Å²	73	45.6 Å²	45.6	34%	0.341	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	132.9	-175.1	-176.4	173.7	58.7	0	0	110.6	F96 S97 V117 S118	F96-Q111 CarbonylContact C-O 3.53Å; F96-Q111 WeakPolarHBondContact CA-O 3.46Å; F96-Q111 VanDerWaalsContact CB-O 3.29Å; F96-Q111 WeakPolarHBondContact CB-O 3.45Å; S97-Q111 PolarHBondContact N-O 3.15Å; S97-Q111 PolarHBondContact O-N 2.74Å; Q111-V117 WeakPolarHBondContact CA-O 3.37Å; Q111-S118 PolarHBondContact NE2-OG 3.02Å
112	N	98.3	Very high	97.2	Very high	5 Å²	5	45.4 Å²	45.4	3%	0.027	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	159.1	174.3	71.6	-38.1	0	0	0	111.8	F89 M94 T95 E114 G115 S116 V117	F89-N112 HydrophobicContact CE1-CB 4.02Å; M94-N112 HydrophobicContact SD-CB 4.28Å; T95-N112 VanDerWaalsContact O-CA 3.23Å; T95-N112 WeakPolarHBondContact O-CA 3.38Å; N112-E114 PolarHBondContact ND2-OE2 3.47Å; N112-E114 PolarHBondContact O-N 2.68Å; N112-E114 VanDerWaalsContact O-N 3.15Å; N112-G115 PolarHBondContact O-N 2.64Å; N112-G115 PolarHBondContact OD1-N 3.3Å; N112-S116 PolarHBondContact ND2-OG 2.93Å; N112-S116 PolarHBondContact OD1-N 2.87Å; N112-V117 PolarHBondContact N-O 3.23Å; N112-V117 PolarHBondContact OD1-N 3.21Å; N112-V117 PolarHBondContact OD1-O 2.83Å; N112-V117 VanDerWaalsContact OD1-O 3.13Å
113	S	96.4	Very high	97.3	Very high	85 Å²	85	41.7 Å²	41.7	59%	0.594	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-28.2	-177.1	-59.5	0	0	0	0	114.5	T95 G115	T95-S113 PolarHBondContact O-N 2.79Å; T95-S113 VanDerWaalsContact O-N 3.1Å; T95-S113 PolarHBondContact O-OG 3.1Å; T95-S113 PolarHBondContact OG1-OG 3.2Å; S113-G115 VanDerWaalsContact C-N 3.33Å
114	E	95.3	Very high	97.4	Very high	142 Å²	142	38.9 Å²	38.9	66%	0.664	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-10.3	175.9	-57.7	76.5	-166	0	0	113.6	N112 S116	N112-E114 PolarHBondContact ND2-OE2 3.47Å; N112-E114 PolarHBondContact O-N 2.68Å; N112-E114 VanDerWaalsContact O-N 3.15Å; E114-S116 PolarHBondContact O-N 3.43Å
115	G	96.3	Very high	97.5	Very high	34 Å²	34	40.1 Å²	40.1	35%	0.351	24%	0.244	S	C	.	.	S	Bend	trans	70	8.8	-176.9	0	0	0	0	0	114.9	N112 S113	N112-G115 PolarHBondContact O-N 2.64Å; N112-G115 PolarHBondContact OD1-N 3.3Å; S113-G115 VanDerWaalsContact C-N 3.33Å
116	S	97.8	Very high	97.6	Very high	29 Å²	29	36.9 Å²	36.9	20%	0.203	23%	0.225	C	C	.	.	S	Bend	trans	-79.7	-19.3	-179.5	57	0	0	0	0	113.7	S74 V75 N112 E114	S74-S116 CarbonylContact C-O 3.47Å; S74-S116 WeakPolarHBondContact CA-O 3.46Å; V75-S116 PolarHBondContact N-O 3.43Å; N112-S116 PolarHBondContact ND2-OG 2.93Å; N112-S116 PolarHBondContact OD1-N 2.87Å; E114-S116 PolarHBondContact O-N 3.43Å
117	V	98.8	Very high	97.8	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	124.4	178.8	-174.2	0	0	0	0	110.2	A69 V75 F88 M94 Q111 N112 L119	A69-V117 HydrophobicContact CB-CG2 3.67Å; V75-V117 HydrophobicContact CB-CG2 4.35Å; V75-V117 WeakPolarHBondContact O-CA 3.41Å; F88-V117 HydrophobicContact CE1-CG1 3.89Å; F88-V117 HydrophobicContact CZ-CG1 4.31Å; M94-V117 HydrophobicContact CE-CG2 4.36Å; Q111-V117 WeakPolarHBondContact CA-O 3.37Å; N112-V117 PolarHBondContact N-O 3.23Å; N112-V117 PolarHBondContact OD1-N 3.21Å; N112-V117 PolarHBondContact OD1-O 2.83Å; N112-V117 VanDerWaalsContact OD1-O 3.13Å; V117-L119 HydrophobicContact CG1-CD2 3.88Å; V117-L119 HydrophobicContact CG1-CG 4.13Å
118	S	98.8	Very high	97.8	Very high	12 Å²	12	35.4 Å²	35.4	8%	0.084	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	117.8	174.3	-62	0	0	0	0	110.9	V75 V76 G77 F110 Q111	V75-S118 PolarHBondContact O-N 3.32Å; V76-S118 CarbonylContact C-O 3.59Å; V76-S118 VanDerWaalsContact CA-O 3.24Å; V76-S118 WeakPolarHBondContact CA-O 3.37Å; G77-S118 PolarHBondContact N-O 3.17Å; F110-S118 CarbonylContact O-C 3.5Å; F110-S118 WeakPolarHBondContact O-CA 3.41Å; Q111-S118 PolarHBondContact NE2-OG 3.02Å
119	L	98.9	Very high	97.7	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	119.1	-179.9	-54.4	-171.6	0	0	0	110.2	M65 G77 I85 F88 F89 V109 F110 V117	M65-L119 HydrophobicContact CE-CD1 4.05Å; M65-L119 HydrophobicContact CE-CD2 3.86Å; M65-L119 HydrophobicContact SD-CD2 3.56Å; M65-L119 VanDerWaalsContact SD-CD2 3.56Å; G77-L119 WeakPolarHBondContact O-CA 3.48Å; I85-L119 HydrophobicContact CB-CD1 4.48Å; I85-L119 HydrophobicContact CD1-CB 4.42Å; I85-L119 HydrophobicContact CG1-CB 4.13Å; I85-L119 HydrophobicContact CG1-CD1 4.32Å; I85-L119 HydrophobicContact CG2-CB 3.91Å; I85-L119 HydrophobicContact CG2-CD1 4.02Å; F88-L119 HydrophobicContact CB-CD1 4.25Å; F88-L119 HydrophobicContact CD1-CD1 3.49Å; F88-L119 VanDerWaalsContact CD1-CD1 3.49Å; F88-L119 HydrophobicContact CE1-CD1 4.07Å; F88-L119 HydrophobicContact CG-CD1 3.97Å; F89-L119 HydrophobicContact CE2-CB 4.34Å; F89-L119 HydrophobicContact CE2-CD1 3.83Å; F89-L119 HydrophobicContact CE2-CG 4.08Å; F89-L119 HydrophobicContact CZ-CB 4.49Å; F89-L119 HydrophobicContact CZ-CD1 4.06Å; F89-L119 HydrophobicContact CZ-CG 3.97Å; V109-L119 WeakPolarHBondContact CA-O 3.47Å; F110-L119 PolarHBondContact N-O 3.45Å; F110-L119 PolarHBondContact O-N 3.25Å; V117-L119 HydrophobicContact CG1-CD2 3.88Å; V117-L119 HydrophobicContact CG1-CG 4.13Å
120	Y	98.8	Very high	97.6	Very high	30 Å²	30	38.6 Å²	38.6	12%	0.118	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	116.5	-179.6	-71.4	-99.3	0	0	0	110.1	V76 G77 V78 E79 V101 K108 V109 C122 F127 V131 A132	V76-Y120 HydrophobicContact CG1-CD2 3.69Å; V76-Y120 HydrophobicContact CG1-CE2 3.6Å; G77-Y120 PolarHBondContact O-N 2.93Å; V78-Y120 WeakPolarHBondContact CA-O 3.41Å; E79-Y120 PolarHBondContact N-O 2.95Å; V101-Y120 HydrophobicContact CG1-CD1 4.46Å; V101-Y120 HydrophobicContact CG1-CE1 4.32Å; V101-Y120 HydrophobicContact CG2-CD1 3.82Å; V101-Y120 HydrophobicContact CG2-CE1 3.98Å; K108-Y120 CarbonylContact O-C 3.46Å; K108-Y120 WeakPolarHBondContact O-CA 3.42Å; V109-Y120 HydrophobicContact CB-CD1 3.99Å; V109-Y120 HydrophobicContact CB-CE1 3.93Å; V109-Y120 HydrophobicContact CB-CG 4.47Å; V109-Y120 HydrophobicContact CG2-CD1 4.14Å; V109-Y120 HydrophobicContact CG2-CD2 4.18Å; V109-Y120 HydrophobicContact CG2-CE1 3.93Å; V109-Y120 HydrophobicContact CG2-CE2 3.97Å; V109-Y120 HydrophobicContact CG2-CG 4.26Å; Y120-C122 PolarHBondContact O-N 3.49Å; Y120-F127 HydrophobicContact CD1-CD2 4.41Å; Y120-F127 AromaticContact CD1-CE2 3.7Å; Y120-F127 HydrophobicContact CD1-CE2 3.7Å; Y120-F127 AromaticContact CD2-CE2 3.69Å; Y120-F127 HydrophobicContact CD2-CE2 3.69Å; Y120-F127 HydrophobicContact CD2-CZ 4Å; Y120-F127 HydrophobicContact CE1-CE2 4.05Å; Y120-F127 HydrophobicContact CE2-CE2 4.04Å; Y120-F127 HydrophobicContact CE2-CZ 4.14Å; Y120-F127 HydrophobicContact CG-CD2 4.28Å; Y120-F127 AromaticContact CG-CE2 3.5Å; Y120-F127 HydrophobicContact CG-CE2 3.5Å; Y120-F127 HydrophobicContact CG-CZ 4.28Å; Y120-V131 HydrophobicContact CD1-CG1 4.05Å; Y120-V131 HydrophobicContact CE1-CG1 3.59Å; Y120-A132 HydrophobicContact CE2-CB 4.12Å
121	Q	98.4	Very high	97.5	Very high	40 Å²	40	39.9 Å²	39.9	19%	0.187	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	94.9	172.1	-168	-81.9	-45.7	0	0	109.4	E79 F80 E82 I85 A107 K108 F110	E79-Q121 VanDerWaalsContact O-CA 3.25Å; E79-Q121 WeakPolarHBondContact O-CA 3.4Å; F80-Q121 PolarHBondContact O-NE2 2.88Å; E82-Q121 HydrophobicContact CB-CG 4.05Å; I85-Q121 HydrophobicContact CD1-CB 3.65Å; I85-Q121 HydrophobicContact CD1-CG 4.06Å; A107-Q121 VanDerWaalsContact CA-O 3.29Å; A107-Q121 WeakPolarHBondContact CA-O 3.5Å; A107-Q121 WeakPolarHBondContact CB-O 3.41Å; K108-Q121 HydrophobicContact CB-CB 4.34Å; K108-Q121 PolarHBondContact N-O 3.18Å; K108-Q121 PolarHBondContact O-N 3.26Å; F110-Q121 HydrophobicContact CD2-CB 4.29Å; F110-Q121 HydrophobicContact CE2-CB 3.79Å; F110-Q121 HydrophobicContact CE2-CG 4.47Å
122	C	97.5	Very high	97.4	Very high	9 Å²	9	37 Å²	37	6%	0.061	23%	0.233	C	C	.	.	S	Bend	trans	-163.9	170	177	61.2	0	0	0	0	111.9	E79 F80 V104 A107 Y120	E79-C122 PolarHBondContact O-N 3.05Å; F80-C122 WeakPolarHBondContact CA-O 3.27Å; V104-C122 HydrophobicContact CG1-CB 4.29Å; A107-C122 HydrophobicContact CB-CB 3.72Å; Y120-C122 PolarHBondContact O-N 3.49Å
123	D	96.3	Very high	97.4	Very high	54 Å²	54	38.2 Å²	38.2	29%	0.289	25%	0.248	S	C	.	.			trans	-65.7	132.4	162.6	177.1	-90.8	0	0	0	109.8	F125 S126	D123-F125 PolarHBondContact O-N 2.83Å; D123-F125 WeakPolarHBondContact OD1-CA 3.47Å; D123-F125 VanDerWaalsContact OD1-CB 3.27Å; D123-F125 WeakPolarHBondContact OD1-CB 3.23Å; D123-F125 PolarHBondContact OD1-N 3.1Å; D123-S126 WeakPolarHBondContact O-CB 3.4Å; D123-S126 PolarHBondContact O-N 2.77Å; D123-S126 PolarHBondContact OD1-N 3.16Å
124	L	97.9	Very high	97.5	Very high	9 Å²	9	38.5 Å²	38.5	5%	0.047	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-54.8	-39	-177.3	177.6	67.5	0	0	0	112.2	F55 P57 L58 V78 S126 F127 Y155 L158	F55-L124 HydrophobicContact CZ-CD1 3.95Å; P57-L124 HydrophobicContact CB-CD1 4.14Å; P57-L124 HydrophobicContact CB-CD2 4.09Å; L58-L124 HydrophobicContact CD1-CB 3.84Å; L58-L124 HydrophobicContact CD1-CD2 3.42Å; L58-L124 VanDerWaalsContact CD1-CD2 3.42Å; L58-L124 HydrophobicContact CD1-CG 4.12Å; V78-L124 HydrophobicContact CB-CD1 3.98Å; V78-L124 HydrophobicContact CG1-CB 4.25Å; V78-L124 HydrophobicContact CG1-CD1 3.96Å; V78-L124 HydrophobicContact CG2-CD1 4.37Å; L124-S126 PolarHBondContact O-N 3.21Å; L124-F127 WeakPolarHBondContact O-CB 3.48Å; L124-F127 PolarHBondContact O-N 3.32Å; L124-Y155 HydrophobicContact CD2-CD2 3.55Å; L124-Y155 HydrophobicContact CD2-CE2 3.32Å; L124-L158 HydrophobicContact CD1-CD2 4.15Å; L124-L158 HydrophobicContact CD2-CD2 4.29Å; L124-L158 HydrophobicContact CG-CD2 3.74Å; L124-L158 VanDerWaalsContact O-CD2 3.28Å; L124-L158 WeakPolarHBondContact O-CD2 3.3Å
125	F	97.3	Very high	97.6	Very high	39 Å²	39	31.8 Å²	31.8	17%	0.171	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-77.3	-2.6	-178.1	-54.4	-70.4	0	0	0	114.2	D123 I147 D151 R154 L158	D123-F125 PolarHBondContact O-N 2.83Å; D123-F125 WeakPolarHBondContact OD1-CA 3.47Å; D123-F125 VanDerWaalsContact OD1-CB 3.27Å; D123-F125 WeakPolarHBondContact OD1-CB 3.23Å; D123-F125 PolarHBondContact OD1-N 3.1Å; F125-I147 HydrophobicContact CZ-CD1 4.2Å; F125-D151 HydrophobicContact CE2-CB 4.44Å; F125-D151 HydrophobicContact CZ-CB 4.01Å; F125-R154 VanDerWaalsContact CB-CZ 3.44Å; F125-R154 HydrophobicContact CD1-CG 3.78Å; F125-R154 HydrophobicContact CE1-CB 4.17Å; F125-R154 HydrophobicContact CE1-CG 3.85Å; F125-L158 HydrophobicContact CD1-CD2 4.18Å
126	S	97.1	Very high	97.8	Very high	61 Å²	61	30.6 Å²	30.6	43%	0.427	20%	0.196	S	C	.	.	G	3₁₀ helix	trans	-91.3	-10.2	167.4	-54.5	0	0	0	0	112.1	V104 D123 L124	V104-S126 WeakPolarHBondContact CG2-O 3.46Å; D123-S126 WeakPolarHBondContact O-CB 3.4Å; D123-S126 PolarHBondContact O-N 2.77Å; D123-S126 PolarHBondContact OD1-N 3.16Å; L124-S126 PolarHBondContact O-N 3.21Å
127	F	97.9	Very high	97.8	Very high	5 Å²	5	29.2 Å²	29.2	2%	0.022	19%	0.187	C	C	.	.			trans	-81.3	153.8	176.9	-159.9	-108.7	0	0	0	111.7	F55 V76 V78 Y120 L124 V131 A132 F135 L158 L162	F55-F127 HydrophobicContact CD2-CE1 4.37Å; F55-F127 HydrophobicContact CE2-CD1 4.02Å; F55-F127 AromaticContact CE2-CE1 3.63Å; F55-F127 HydrophobicContact CE2-CE1 3.63Å; F55-F127 HydrophobicContact CE2-CZ 4.37Å; F55-F127 HydrophobicContact CZ-CD1 4.15Å; F55-F127 HydrophobicContact CZ-CE1 4.2Å; V76-F127 HydrophobicContact CG1-CZ 4.05Å; V78-F127 HydrophobicContact CG2-CB 4.15Å; V78-F127 HydrophobicContact CG2-CD1 3.8Å; V78-F127 HydrophobicContact CG2-CD2 3.63Å; V78-F127 HydrophobicContact CG2-CE1 3.99Å; V78-F127 HydrophobicContact CG2-CE2 3.84Å; V78-F127 HydrophobicContact CG2-CG 3.59Å; V78-F127 HydrophobicContact CG2-CZ 3.98Å; Y120-F127 HydrophobicContact CD1-CD2 4.41Å; Y120-F127 AromaticContact CD1-CE2 3.7Å; Y120-F127 HydrophobicContact CD1-CE2 3.7Å; Y120-F127 AromaticContact CD2-CE2 3.69Å; Y120-F127 HydrophobicContact CD2-CE2 3.69Å; Y120-F127 HydrophobicContact CD2-CZ 4Å; Y120-F127 HydrophobicContact CE1-CE2 4.05Å; Y120-F127 HydrophobicContact CE2-CE2 4.04Å; Y120-F127 HydrophobicContact CE2-CZ 4.14Å; Y120-F127 HydrophobicContact CG-CD2 4.28Å; Y120-F127 AromaticContact CG-CE2 3.5Å; Y120-F127 HydrophobicContact CG-CE2 3.5Å; Y120-F127 HydrophobicContact CG-CZ 4.28Å; L124-F127 WeakPolarHBondContact O-CB 3.48Å; L124-F127 PolarHBondContact O-N 3.32Å; F127-V131 HydrophobicContact CD2-CB 4.26Å; F127-V131 HydrophobicContact CD2-CG1 4.02Å; F127-V131 HydrophobicContact CE2-CB 4.09Å; F127-V131 HydrophobicContact CE2-CG1 3.65Å; F127-V131 HydrophobicContact CZ-CG1 4.48Å; F127-A132 HydrophobicContact CE1-CB 4.14Å; F127-A132 HydrophobicContact CE2-CB 4.08Å; F127-A132 HydrophobicContact CZ-CB 3.37Å; F127-F135 HydrophobicContact CE1-CE2 4.29Å; F127-F135 HydrophobicContact CE1-CZ 4.25Å; F127-L158 WeakPolarHBondContact O-CD1 3.09Å; F127-L162 HydrophobicContact CD1-CD1 4.16Å; F127-L162 HydrophobicContact CD1-CD2 4.33Å; F127-L162 HydrophobicContact CE1-CD2 4.48Å
128	S	97.5	Very high	97.8	Very high	42 Å²	42	29.2 Å²	29.2	29%	0.294	19%	0.187	S	C	.	.			trans	-161.6	170.3	177	68.3	0	0	0	0	112.1	A130 V131 A132	S128-A130 PolarHBondContact O-N 2.87Å; S128-A130 PolarHBondContact OG-N 2.86Å; S128-V131 WeakPolarHBondContact O-CB 3.45Å; S128-V131 PolarHBondContact O-N 3.29Å; S128-A132 PolarHBondContact O-N 2.94Å
129	S	96.4	Very high	97.8	Very high	50 Å²	50	29 Å²	29	35%	0.35	18%	0.184	S	C	.	.	H	α-helix	trans	-66.7	-16.4	173.3	57.4	0	0	0	0	113.5	V131 G133	S129-V131 VanDerWaalsContact C-N 3.29Å; S129-G133 WeakPolarHBondContact CA-O 3.49Å; S129-G133 WeakPolarHBondContact O-CA 3.39Å; S129-G133 PolarHBondContact O-N 2.81Å
130	A	96.4	Very high	97.8	Very high	92 Å²	92	29 Å²	29	76%	0.76	18%	0.184	S	C	*	.	H	α-helix	trans	-72.4	-25.3	170.4	0	0	0	0	0	112.4	S128	S128-A130 PolarHBondContact O-N 2.87Å; S128-A130 PolarHBondContact OG-N 2.86Å
131	V	96.9	Very high	97.8	Very high	27 Å²	27	30.5 Å²	30.5	16%	0.164	19%	0.189	C	C	.	.	H	α-helix	trans	-79.4	-47.9	179.6	178.5	0	0	0	0	110.8	V101 A103 V104 Y120 F127 S128 S129	V101-V131 HydrophobicContact CG1-CG1 3.79Å; A103-V131 HydrophobicContact CB-CG2 4.08Å; V104-V131 HydrophobicContact CG2-CG2 3.72Å; Y120-V131 HydrophobicContact CD1-CG1 4.05Å; Y120-V131 HydrophobicContact CE1-CG1 3.59Å; F127-V131 HydrophobicContact CD2-CB 4.26Å; F127-V131 HydrophobicContact CD2-CG1 4.02Å; F127-V131 HydrophobicContact CE2-CB 4.09Å; F127-V131 HydrophobicContact CE2-CG1 3.65Å; F127-V131 HydrophobicContact CZ-CG1 4.48Å; S128-V131 WeakPolarHBondContact O-CB 3.45Å; S128-V131 PolarHBondContact O-N 3.29Å; S129-V131 VanDerWaalsContact C-N 3.29Å
132	A	96.6	Very high	97.8	Very high	11 Å²	11	29.9 Å²	29.9	9%	0.091	19%	0.194	C	C	.	.	H	α-helix	trans	-136	14.3	-170.8	0	0	0	0	0	113.7	R53 Y120 F127 S128 F135	R53-A132 PolarHBondContact NH1-O 2.89Å; R53-A132 PolarHBondContact NH2-O 3.34Å; Y120-A132 HydrophobicContact CE2-CB 4.12Å; F127-A132 HydrophobicContact CE1-CB 4.14Å; F127-A132 HydrophobicContact CE2-CB 4.08Å; F127-A132 HydrophobicContact CZ-CB 3.37Å; S128-A132 PolarHBondContact O-N 2.94Å; A132-F135 HydrophobicContact CB-CZ 4.24Å
133	G	97.6	Very high	97.8	Very high	32 Å²	32	29.4 Å²	29.4	33%	0.33	19%	0.191	S	C	.	.			trans	71.3	-164.8	-177.4	0	0	0	0	0	113.9	S129	S129-G133 WeakPolarHBondContact CA-O 3.49Å; S129-G133 WeakPolarHBondContact O-CA 3.39Å; S129-G133 PolarHBondContact O-N 2.81Å
134	Q	98.6	Very high	98	Very high	91 Å²	91	26.9 Å²	26.9	43%	0.425	18%	0.177	S	C	.	.			trans	-103.3	169.4	178.7	-64.5	-174.4	-53.4	0	0	111.8	R53 S161 L162 M163 A164	R53-Q134 PolarHBondContact NH1-O 3.43Å; R53-Q134 VanDerWaalsContact NH1-O 3.08Å; Q134-S161 PolarHBondContact NE2-O 3.25Å; Q134-S161 VanDerWaalsContact NE2-O 3.11Å; Q134-L162 CarbonylContact C-O 3.6Å; Q134-L162 VanDerWaalsContact CA-O 3.26Å; Q134-L162 WeakPolarHBondContact CA-O 3.45Å; Q134-L162 WeakPolarHBondContact CB-O 3.27Å; Q134-M163 PolarHBondContact NE2-O 2.99Å; Q134-A164 HydrophobicContact CB-CB 4.04Å
135	F	98.9	Very high	98	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	139.5	-170.2	-56.6	-83.4	0	0	0	111.9	R53 F55 V76 F127 A132 L162 A164 C167	R53-F135 HydrophobicContact CG-CD1 3.9Å; R53-F135 HydrophobicContact CG-CE1 4.29Å; R53-F135 VanDerWaalsContact CZ-CE1 3.49Å; F55-F135 HydrophobicContact CB-CB 3.94Å; F55-F135 HydrophobicContact CB-CD1 3.67Å; F55-F135 HydrophobicContact CB-CD2 3.63Å; F55-F135 HydrophobicContact CB-CE1 4.07Å; F55-F135 HydrophobicContact CB-CE2 4Å; F55-F135 HydrophobicContact CB-CG 3.46Å; F55-F135 VanDerWaalsContact CB-CG 3.46Å; F55-F135 HydrophobicContact CB-CZ 4.22Å; F55-F135 HydrophobicContact CD2-CD2 4.22Å; F55-F135 HydrophobicContact CD2-CE1 4.17Å; F55-F135 AromaticContact CD2-CE2 3.71Å; F55-F135 HydrophobicContact CD2-CE2 3.71Å; F55-F135 AromaticContact CD2-CZ 3.7Å; F55-F135 HydrophobicContact CD2-CZ 3.7Å; F55-F135 HydrophobicContact CE2-CE2 4.36Å; F55-F135 HydrophobicContact CE2-CZ 4.43Å; F55-F135 AromaticContact CG-CD2 3.93Å; F55-F135 HydrophobicContact CG-CD2 3.93Å; F55-F135 AromaticContact CG-CE2 3.89Å; F55-F135 HydrophobicContact CG-CE2 3.89Å; F55-F135 HydrophobicContact CG-CG 4.25Å; F55-F135 HydrophobicContact CG-CZ 4.22Å; V76-F135 HydrophobicContact CB-CE1 3.54Å; V76-F135 HydrophobicContact CB-CZ 3.98Å; V76-F135 HydrophobicContact CG1-CE1 4.07Å; V76-F135 HydrophobicContact CG1-CZ 3.98Å; V76-F135 HydrophobicContact CG2-CE1 3.7Å; V76-F135 HydrophobicContact CG2-CZ 4.35Å; F127-F135 HydrophobicContact CE1-CE2 4.29Å; F127-F135 HydrophobicContact CE1-CZ 4.25Å; A132-F135 HydrophobicContact CB-CZ 4.24Å; F135-L162 HydrophobicContact CD2-CB 3.96Å; F135-L162 WeakPolarHBondContact CD2-O 3.34Å; F135-L162 HydrophobicContact CE2-CB 4.24Å; F135-L162 HydrophobicContact CE2-CD2 4.24Å; F135-L162 PolarHBondContact N-O 2.94Å; F135-A164 VanDerWaalsContact O-CB 3.29Å; F135-A164 WeakPolarHBondContact O-CB 3.49Å; F135-A164 PolarHBondContact O-N 3.18Å; F135-C167 VanDerWaalsContact O-CB 3.25Å; F135-C167 WeakPolarHBondContact O-CB 3.26Å; F135-C167 PolarHBondContact O-SG 3.2Å
136	G	98.7	Very high	98	Very high	10 Å²	10	25 Å²	25	10%	0.103	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	-14.3	177.1	0	0	0	0	0	113.2	R49 R53 C167 R168	R49-G136 PolarHBondContact NH1-O 3.16Å; R49-G136 PolarHBondContact NH2-O 3.03Å; R53-G136 PolarHBondContact O-N 2.94Å; G136-C167 VanDerWaalsContact O-CA 3.32Å; G136-C167 WeakPolarHBondContact O-CA 3.48Å; G136-R168 PolarHBondContact O-N 2.79Å
137	A	98.9	Very high	98.1	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	152.4	172.2	0	0	0	0	0	111.6	V45 V52 R53 W54 F55 R168	V45-A137 HydrophobicContact CG1-CB 3.51Å; V52-A137 HydrophobicContact CG1-CB 3.62Å; R53-A137 PolarHBondContact O-N 3.04Å; W54-A137 CarbonylContact C-O 3.46Å; W54-A137 VanDerWaalsContact CA-O 3.32Å; W54-A137 WeakPolarHBondContact CA-O 3.35Å; W54-A137 HydrophobicContact CD2-CB 3.41Å; W54-A137 VanDerWaalsContact CD2-CB 3.41Å; W54-A137 HydrophobicContact CE3-CB 3.53Å; W54-A137 HydrophobicContact CG-CB 3.94Å; W54-A137 HydrophobicContact CH2-CB 4.2Å; W54-A137 HydrophobicContact CZ2-CB 4.08Å; W54-A137 HydrophobicContact CZ3-CB 3.93Å; F55-A137 PolarHBondContact N-O 2.82Å; A137-R168 VanDerWaalsContact CA-O 3.26Å; A137-R168 WeakPolarHBondContact CA-O 3.17Å
138	I	98.9	Very high	98	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	131.6	173.6	-54.4	-175.7	0	0	0	107.5	F55 P57 I159 M163 R168 Y169 L170	F55-I138 HydrophobicContact CB-CG1 4.16Å; F55-I138 HydrophobicContact CD1-CD1 4.4Å; F55-I138 HydrophobicContact CD1-CG1 4.48Å; F55-I138 HydrophobicContact CD1-CG2 4.13Å; F55-I138 WeakPolarHBondContact O-CA 3.2Å; P57-I138 HydrophobicContact CG-CG2 4.49Å; I138-I159 HydrophobicContact CD1-CG2 3.75Å; I138-M163 HydrophobicContact CD1-CG 3.74Å; I138-R168 PolarHBondContact N-O 3.47Å; I138-R168 VanDerWaalsContact N-O 3.15Å; I138-Y169 HydrophobicContact CB-CD2 3.61Å; I138-Y169 HydrophobicContact CB-CE2 4.29Å; I138-Y169 HydrophobicContact CB-CG 4.2Å; I138-Y169 HydrophobicContact CG2-CD2 3.65Å; I138-Y169 HydrophobicContact CG2-CE2 3.8Å; I138-L170 PolarHBondContact O-N 3.33Å
139	W	98.9	Very high	98	Very high	6 Å²	6	22.4 Å²	22.4	2%	0.023	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	109.7	167.5	175.7	-132.1	0	0	0	109	H35 M37 L38 W54 F55 F56 R141 L170 D172	H35-W139 HydrophobicContact CB-CZ2 3.95Å; H35-W139 AromaticContact CG-CZ2 3.95Å; H35-W139 AromaticContact ND1-CZ2 3.96Å; M37-W139 HydrophobicContact CB-CH2 4.11Å; L38-W139 HydrophobicContact CB-CD2 4.36Å; L38-W139 HydrophobicContact CB-CH2 4.46Å; L38-W139 HydrophobicContact CB-CZ2 3.97Å; L38-W139 HydrophobicContact CD1-CD2 4.18Å; L38-W139 HydrophobicContact CD1-CG 4.2Å; L38-W139 HydrophobicContact CD2-CG 4.33Å; W54-W139 HydrophobicContact CE3-CB 4.29Å; W54-W139 HydrophobicContact CZ3-CB 4.3Å; F55-W139 PolarHBondContact O-N 2.82Å; F56-W139 HydrophobicContact CE1-CB 4.21Å; F56-W139 AromaticContact CE1-CD1 3.4Å; F56-W139 HydrophobicContact CE1-CG 4.21Å; F56-W139 HydrophobicContact CE2-CB 4.25Å; F56-W139 HydrophobicContact CZ-CB 4Å; F56-W139 AromaticContact CZ-CD1 3.81Å; F56-W139 HydrophobicContact CZ-CG 4.32Å; W139-R141 HydrophobicContact CD2-CB 4.13Å; W139-R141 VanDerWaalsContact CE2-CB 3.49Å; W139-R141 HydrophobicContact CE3-CB 4.48Å; W139-R141 HydrophobicContact CH2-CB 3.77Å; W139-R141 HydrophobicContact CH2-CG 4.15Å; W139-R141 HydrophobicContact CZ2-CB 3.33Å; W139-R141 HydrophobicContact CZ2-CG 3.68Å; W139-R141 HydrophobicContact CZ3-CB 4.31Å; W139-L170 HydrophobicContact CE3-CB 3.83Å; W139-L170 HydrophobicContact CE3-CD2 3.58Å; W139-L170 HydrophobicContact CE3-CG 3.75Å; W139-L170 HydrophobicContact CH2-CD2 4.47Å; W139-L170 HydrophobicContact CZ3-CB 4.24Å; W139-L170 HydrophobicContact CZ3-CD2 3.55Å; W139-L170 HydrophobicContact CZ3-CG 3.67Å; W139-D172 HydrophobicContact CH2-CB 3.84Å; W139-D172 HydrophobicContact CZ3-CB 4.05Å
140	D	98.9	Very high	98	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	100.5	-179.6	176.5	-15.4	0	0	0	108.7	P57 S143 L144 Y155 Y169 L170 L171 D172	P57-D140 HydrophobicContact CG-CB 4.16Å; D140-S143 WeakPolarHBondContact OD1-CB 3.32Å; D140-L144 PolarHBondContact OD1-N 3.02Å; D140-L144 WeakPolarHBondContact OD2-CB 3.44Å; D140-Y155 VanDerWaalsContact CG-OH 3.27Å; D140-Y155 PolarHBondContact OD2-OH 2.76Å; D140-Y169 HydrophobicContact CB-CD2 4.47Å; D140-Y169 HydrophobicContact CB-CE2 3.42Å; D140-Y169 VanDerWaalsContact CB-CE2 3.42Å; D140-Y169 PolarHBondContact OD2-OH 3.31Å; D140-L170 PolarHBondContact N-O 2.88Å; D140-L171 HydrophobicContact CB-CD1 4.06Å; D140-L171 WeakPolarHBondContact OD2-CD1 3.37Å; D140-D172 WeakPolarHBondContact O-CB 3.36Å; D140-D172 PolarHBondContact O-N 2.92Å
141	R	98.7	Very high	98	Very high	62 Å²	62	25 Å²	25	23%	0.234	13%	0.134	C	C	.	.	S	Bend	trans	-136.6	127.3	175.5	177.5	-90.2	179.6	-164.4	0	108.9	F29 H35 W139 S143 D172	F29-R141 PolarHBondContact O-NH1 2.81Å; F29-R141 PolarHBondContact O-NH2 2.91Å; H35-R141 PolarHBondContact CD2-NE 2.84Å; H35-R141 PolarHBondContact NE2-NE 2.99Å; W139-R141 HydrophobicContact CD2-CB 4.13Å; W139-R141 VanDerWaalsContact CE2-CB 3.49Å; W139-R141 HydrophobicContact CE3-CB 4.48Å; W139-R141 HydrophobicContact CH2-CB 3.77Å; W139-R141 HydrophobicContact CH2-CG 4.15Å; W139-R141 HydrophobicContact CZ2-CB 3.33Å; W139-R141 HydrophobicContact CZ2-CG 3.68Å; W139-R141 HydrophobicContact CZ3-CB 4.31Å; R141-S143 PolarHBondContact O-N 3.39Å; R141-D172 HydrophobicContact CB-CB 3.74Å; R141-D172 HydrophobicContact CG-CB 3.83Å
142	G	97.9	Very high	98.1	Very high	27 Å²	27	24 Å²	24	28%	0.278	13%	0.128	S	C	.	.	S	Bend	trans	66.1	17.5	-170	0	0	0	0	0	113.6	A146	G142-A146 VanDerWaalsContact O-CB 3.22Å; G142-A146 WeakPolarHBondContact O-CB 3.14Å
143	S	98.6	Very high	98.2	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.152	C	C	.	.	S	Bend	trans	-109.5	-71.4	179.5	-169.4	0	0	0	0	112.3	P57 L58 D140 R141 V145 A146 I147 Y155	P57-S143 VanDerWaalsContact C-OG 3.22Å; P57-S143 VanDerWaalsContact CB-OG 3.28Å; P57-S143 WeakPolarHBondContact CB-OG 3.44Å; P57-S143 WeakPolarHBondContact CG-OG 3.46Å; P57-S143 WeakPolarHBondContact O-CB 3.35Å; P57-S143 PolarHBondContact O-OG 3.22Å; L58-S143 WeakPolarHBondContact CB-OG 3.27Å; D140-S143 WeakPolarHBondContact OD1-CB 3.32Å; R141-S143 PolarHBondContact O-N 3.39Å; S143-V145 PolarHBondContact O-N 2.87Å; S143-V145 VanDerWaalsContact O-N 3.16Å; S143-A146 CarbonylContact O-C 3.59Å; S143-A146 WeakPolarHBondContact O-CA 3.36Å; S143-A146 WeakPolarHBondContact O-CB 3.46Å; S143-A146 PolarHBondContact O-N 3.18Å; S143-I147 WeakPolarHBondContact O-CG1 3.33Å; S143-I147 PolarHBondContact O-N 3.21Å; S143-I147 VanDerWaalsContact O-N 3.1Å; S143-Y155 WeakPolarHBondContact CB-OH 3.46Å; S143-Y155 PolarHBondContact OG-OH 3.18Å
144	L	98.8	Very high	98.2	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	16%	0.163	C	C	.	.	G	3₁₀ helix	trans	-53.6	-41	176.2	176.6	63.5	0	0	0	112	D140 A146 I147 R152 Y155 L171 V188 L196 F197	D140-L144 PolarHBondContact OD1-N 3.02Å; D140-L144 WeakPolarHBondContact OD2-CB 3.44Å; L144-A146 PolarHBondContact O-N 3.09Å; L144-I147 PolarHBondContact O-N 2.8Å; L144-R152 HydrophobicContact CD1-CG 4.24Å; L144-Y155 HydrophobicContact CB-CD1 4.48Å; L144-Y155 HydrophobicContact CB-CE1 3.82Å; L144-Y155 HydrophobicContact CD1-CD1 3.55Å; L144-Y155 HydrophobicContact CD1-CE1 3.76Å; L144-Y155 HydrophobicContact CD1-CG 4.4Å; L144-Y155 HydrophobicContact CG-CE1 4.35Å; L144-Y155 PolarHBondContact N-OH 3.18Å; L144-L171 HydrophobicContact CB-CD1 3.87Å; L144-L171 HydrophobicContact CD2-CD1 3.68Å; L144-L171 HydrophobicContact CD2-CD2 3.74Å; L144-L171 HydrophobicContact CD2-CG 4.33Å; L144-L171 HydrophobicContact CG-CD1 4.42Å; L144-V188 HydrophobicContact CD2-CG1 3.99Å; L144-L196 HydrophobicContact CD1-CD1 4.17Å; L144-L196 HydrophobicContact CD2-CD1 4.46Å; L144-F197 HydrophobicContact CD2-CE2 4.02Å
145	V	98.3	Very high	98.2	Very high	2 Å²	2	29.9 Å²	29.9	1%	0.012	14%	0.142	C	C	.	.	G	3₁₀ helix	trans	-70	-13.3	176	-61.1	0	0	0	0	113.6	S143 P185 F186 V188	S143-V145 PolarHBondContact O-N 2.87Å; S143-V145 VanDerWaalsContact O-N 3.16Å; V145-P185 HydrophobicContact CB-CB 3.98Å; V145-P185 HydrophobicContact CG2-CB 3.84Å; V145-P185 CarbonylContact O-C 3.55Å; V145-P185 WeakPolarHBondContact O-CA 3.46Å; V145-F186 WeakPolarHBondContact O-CB 3.2Å; V145-F186 VanDerWaalsContact O-CD2 3.25Å; V145-F186 WeakPolarHBondContact O-CD2 3.11Å; V145-F186 PolarHBondContact O-N 3Å; V145-V188 HydrophobicContact CG1-CB 4.33Å; V145-V188 HydrophobicContact CG1-CG2 3.92Å
146	A	97.9	Very high	98.2	Very high	8 Å²	8	30.1 Å²	30.1	7%	0.066	14%	0.144	C	C	.	.	G	3₁₀ helix	trans	-94.6	-16.7	172.7	0	0	0	0	0	112.9	W18 L58 G142 S143 L144	W18-A146 HydrophobicContact CH2-CB 4.15Å; W18-A146 HydrophobicContact CZ2-CB 3.83Å; L58-A146 HydrophobicContact CD2-CB 3.93Å; G142-A146 VanDerWaalsContact O-CB 3.22Å; G142-A146 WeakPolarHBondContact O-CB 3.14Å; S143-A146 CarbonylContact O-C 3.59Å; S143-A146 WeakPolarHBondContact O-CA 3.36Å; S143-A146 WeakPolarHBondContact O-CB 3.46Å; S143-A146 PolarHBondContact O-N 3.18Å; L144-A146 PolarHBondContact O-N 3.09Å
147	I	98.1	Very high	98.2	Very high	14 Å²	14	32.8 Å²	32.8	7%	0.072	17%	0.165	C	C	.	.	S	Bend	trans	-71.5	132.2	176.4	-62.4	-64.8	0	0	0	110.5	L58 F125 S143 L144 D151 R152 Y155 F186	L58-I147 HydrophobicContact CD1-CD1 4.32Å; L58-I147 HydrophobicContact CD2-CD1 4.1Å; F125-I147 HydrophobicContact CZ-CD1 4.2Å; S143-I147 WeakPolarHBondContact O-CG1 3.33Å; S143-I147 PolarHBondContact O-N 3.21Å; S143-I147 VanDerWaalsContact O-N 3.1Å; L144-I147 PolarHBondContact O-N 2.8Å; I147-D151 HydrophobicContact CG2-CB 3.79Å; I147-R152 HydrophobicContact CG2-CG 4.08Å; I147-Y155 HydrophobicContact CD1-CD2 3.61Å; I147-Y155 HydrophobicContact CD1-CE2 3.94Å; I147-Y155 HydrophobicContact CD1-CG 4.47Å; I147-Y155 HydrophobicContact CG1-CD2 3.4Å; I147-Y155 VanDerWaalsContact CG1-CD2 3.4Å; I147-Y155 HydrophobicContact CG1-CE2 3.65Å; I147-Y155 HydrophobicContact CG1-CG 3.91Å; I147-F186 VanDerWaalsContact O-CD2 3.26Å; I147-F186 WeakPolarHBondContact O-CD2 3.47Å
148	N	97.4	Very high	98.2	Very high	18 Å²	18	33.8 Å²	33.8	10%	0.096	17%	0.171	C	C	.	.			trans	-53.2	137.6	174.3	-59.2	-40.1	0	0	0	109.9	M13 R150 D151	M13-N148 WeakPolarHBondContact CB-OD1 3.05Å; M13-N148 PolarHBondContact N-OD1 3.01Å; N148-R150 HydrophobicContact CB-CG 4.34Å; N148-R150 PolarHBondContact O-N 3.14Å; N148-R150 VanDerWaalsContact O-N 3.07Å; N148-D151 HydrophobicContact CB-CB 4.45Å; N148-D151 WeakPolarHBondContact CB-OD2 3.46Å; N148-D151 PolarHBondContact ND2-OD2 3.43Å; N148-D151 VanDerWaalsContact ND2-OD2 3.16Å; N148-D151 PolarHBondContact O-N 3.12Å
149	P	96.6	Very high	98.2	Very high	21 Å²	21	33.8 Å²	33.8	14%	0.136	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-51.4	-39	-176.2	-33.2	40.6	0	0	0	114.9	Q8 R11 D151 R152 F186	Q8-P149 HydrophobicContact CB-CG 4.35Å; Q8-P149 WeakPolarHBondContact O-CG 3.47Å; R11-P149 WeakPolarHBondContact O-CD 3.46Å; P149-D151 VanDerWaalsContact C-N 3.25Å; P149-D151 PolarHBondContact O-N 3.36Å; P149-R152 WeakPolarHBondContact O-CG 3.17Å; P149-R152 PolarHBondContact O-N 3.31Å; P149-F186 HydrophobicContact CG-CD1 4.37Å; P149-F186 HydrophobicContact CG-CG 4.49Å
150	R	96.3	Very high	98.2	Very high	160 Å²	160	34.3 Å²	34.3	60%	0.604	17%	0.174	S	C	*	.	G	3₁₀ helix	trans	-65.5	-22.1	177.7	73.1	179.8	-172.2	-169.6	-3.5	115	N148	N148-R150 HydrophobicContact CB-CG 4.34Å; N148-R150 PolarHBondContact O-N 3.14Å; N148-R150 VanDerWaalsContact O-N 3.07Å
151	D	97.6	Very high	98.2	Very high	35 Å²	35	36.7 Å²	36.7	19%	0.187	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-98	0.3	-173.7	-62.9	-45.4	0	0	0	112	F125 I147 N148 P149 R154 Y155	F125-D151 HydrophobicContact CE2-CB 4.44Å; F125-D151 HydrophobicContact CZ-CB 4.01Å; I147-D151 HydrophobicContact CG2-CB 3.79Å; N148-D151 HydrophobicContact CB-CB 4.45Å; N148-D151 WeakPolarHBondContact CB-OD2 3.46Å; N148-D151 PolarHBondContact ND2-OD2 3.43Å; N148-D151 VanDerWaalsContact ND2-OD2 3.16Å; N148-D151 PolarHBondContact O-N 3.12Å; P149-D151 VanDerWaalsContact C-N 3.25Å; P149-D151 PolarHBondContact O-N 3.36Å; D151-R154 PolarHBondContact O-N 2.9Å; D151-Y155 PolarHBondContact O-N 3.28Å
152	R	98	Very high	98.2	Very high	6 Å²	6	33.7 Å²	33.7	2%	0.023	18%	0.18	C	C	.	.	H	α-helix	trans	-68.5	-36.4	-172.5	-70.8	179.3	-178.1	161.4	11.2	114.3	L144 I147 P149 R154 Y155 A156 F187 Q192 L196	L144-R152 HydrophobicContact CD1-CG 4.24Å; I147-R152 HydrophobicContact CG2-CG 4.08Å; P149-R152 WeakPolarHBondContact O-CG 3.17Å; P149-R152 PolarHBondContact O-N 3.31Å; R152-R154 VanDerWaalsContact C-N 3.33Å; R152-Y155 WeakPolarHBondContact O-CB 3.47Å; R152-Y155 PolarHBondContact O-N 3.25Å; R152-A156 WeakPolarHBondContact O-CB 3.3Å; R152-A156 PolarHBondContact O-N 3.13Å; R152-F187 PolarHBondContact NH1-O 3.15Å; R152-Q192 VanDerWaalsContact NH1-CD 3.32Å; R152-Q192 VanDerWaalsContact NH1-NE2 3.15Å; R152-L196 HydrophobicContact CB-CD1 4.08Å; R152-L196 HydrophobicContact CB-CD2 3.87Å
153	D	98.3	Very high	98.2	Very high	114 Å²	114	32.5 Å²	32.5	61%	0.61	17%	0.167	S	C	*	.	H	α-helix	trans	-64.2	-41.9	175.5	-69.4	-52.1	0	0	0	111	Y155 A156 A157 L196	D153-Y155 VanDerWaalsContact C-N 3.34Å; D153-A156 PolarHBondContact O-N 2.81Å; D153-A157 WeakPolarHBondContact O-CB 3.22Å; D153-A157 PolarHBondContact O-N 3.29Å; D153-L196 WeakPolarHBondContact OD1-CD2 3.38Å
154	R	98.5	Very high	98.2	Very high	145 Å²	145	33.2 Å²	33.2	55%	0.547	17%	0.172	S	C	.	.	H	α-helix	trans	-63.6	-41.5	174.7	-174.4	-176.8	178.1	-173.9	-1.6	111.1	F125 D151 R152 L158	F125-R154 VanDerWaalsContact CB-CZ 3.44Å; F125-R154 HydrophobicContact CD1-CG 3.78Å; F125-R154 HydrophobicContact CE1-CB 4.17Å; F125-R154 HydrophobicContact CE1-CG 3.85Å; D151-R154 PolarHBondContact O-N 2.9Å; R152-R154 VanDerWaalsContact C-N 3.33Å; R154-L158 WeakPolarHBondContact O-CB 3.42Å; R154-L158 PolarHBondContact O-N 3.07Å
155	Y	98.8	Very high	98.1	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-62	-50.3	175.7	179.8	-90.3	0	0	0	111.8	P57 L124 D140 S143 L144 I147 D151 R152 D153 A157 L158 I159	P57-Y155 HydrophobicContact CB-CE2 4.33Å; P57-Y155 WeakPolarHBondContact CG-OH 3.38Å; L124-Y155 HydrophobicContact CD2-CD2 3.55Å; L124-Y155 HydrophobicContact CD2-CE2 3.32Å; D140-Y155 VanDerWaalsContact CG-OH 3.27Å; D140-Y155 PolarHBondContact OD2-OH 2.76Å; S143-Y155 WeakPolarHBondContact CB-OH 3.46Å; S143-Y155 PolarHBondContact OG-OH 3.18Å; L144-Y155 HydrophobicContact CB-CD1 4.48Å; L144-Y155 HydrophobicContact CB-CE1 3.82Å; L144-Y155 HydrophobicContact CD1-CD1 3.55Å; L144-Y155 HydrophobicContact CD1-CE1 3.76Å; L144-Y155 HydrophobicContact CD1-CG 4.4Å; L144-Y155 HydrophobicContact CG-CE1 4.35Å; L144-Y155 PolarHBondContact N-OH 3.18Å; I147-Y155 HydrophobicContact CD1-CD2 3.61Å; I147-Y155 HydrophobicContact CD1-CE2 3.94Å; I147-Y155 HydrophobicContact CD1-CG 4.47Å; I147-Y155 HydrophobicContact CG1-CD2 3.4Å; I147-Y155 VanDerWaalsContact CG1-CD2 3.4Å; I147-Y155 HydrophobicContact CG1-CE2 3.65Å; I147-Y155 HydrophobicContact CG1-CG 3.91Å; D151-Y155 PolarHBondContact O-N 3.28Å; R152-Y155 WeakPolarHBondContact O-CB 3.47Å; R152-Y155 PolarHBondContact O-N 3.25Å; D153-Y155 VanDerWaalsContact C-N 3.34Å; Y155-A157 VanDerWaalsContact C-N 3.32Å; Y155-A157 PolarHBondContact O-N 3.27Å; Y155-L158 WeakPolarHBondContact O-CB 3.3Å; Y155-L158 PolarHBondContact O-N 3.16Å; Y155-L158 VanDerWaalsContact O-N 3.13Å; Y155-I159 HydrophobicContact CD1-CG1 3.85Å; Y155-I159 HydrophobicContact CE1-CD1 4.19Å; Y155-I159 HydrophobicContact CE1-CG1 3.45Å; Y155-I159 VanDerWaalsContact CE1-CG1 3.45Å; Y155-I159 HydrophobicContact CE2-CD1 4.26Å; Y155-I159 HydrophobicContact CE2-CG1 4.23Å; Y155-I159 HydrophobicContact CG-CG1 4.37Å; Y155-I159 WeakPolarHBondContact O-CG1 3.13Å; Y155-I159 PolarHBondContact O-N 3.35Å
156	A	98.8	Very high	98	Very high	5 Å²	5	42.9 Å²	42.9	4%	0.041	23%	0.23	C	C	.	.	H	α-helix	trans	-59.9	-43.6	-179.9	0	0	0	0	0	111.6	R152 D153 L158 I159 V160 L196 F197	R152-A156 WeakPolarHBondContact O-CB 3.3Å; R152-A156 PolarHBondContact O-N 3.13Å; D153-A156 PolarHBondContact O-N 2.81Å; A156-L158 VanDerWaalsContact C-N 3.35Å; A156-L158 PolarHBondContact O-N 3.02Å; A156-I159 PolarHBondContact O-N 3.27Å; A156-V160 WeakPolarHBondContact O-CB 3.33Å; A156-V160 VanDerWaalsContact O-CG2 3.28Å; A156-V160 WeakPolarHBondContact O-CG2 3.42Å; A156-V160 PolarHBondContact O-N 3.28Å; A156-L196 HydrophobicContact CB-CB 3.96Å; A156-L196 HydrophobicContact CB-CD2 4.13Å; A156-F197 HydrophobicContact CB-CD1 4.04Å; A156-F197 HydrophobicContact CB-CE1 3.52Å; A156-F197 HydrophobicContact CB-CE2 4.45Å; A156-F197 HydrophobicContact CB-CZ 3.75Å
157	A	98.6	Very high	98	Very high	65 Å²	65	42.6 Å²	42.6	54%	0.537	23%	0.228	S	C	.	.	H	α-helix	trans	-60.4	-42.8	175.3	0	0	0	0	0	112.5	D153 Y155 S161	D153-A157 WeakPolarHBondContact O-CB 3.22Å; D153-A157 PolarHBondContact O-N 3.29Å; Y155-A157 VanDerWaalsContact C-N 3.32Å; Y155-A157 PolarHBondContact O-N 3.27Å; A157-S161 PolarHBondContact O-N 2.64Å
158	L	98.8	Very high	98.1	Very high	22 Å²	22	44.5 Å²	44.5	12%	0.115	23%	0.234	C	C	.	.	H	α-helix	trans	-62.3	-53.5	175.5	172.8	63.1	0	0	0	111.1	L124 F125 F127 R154 Y155 A156 V160 S161 L162	L124-L158 HydrophobicContact CD1-CD2 4.15Å; L124-L158 HydrophobicContact CD2-CD2 4.29Å; L124-L158 HydrophobicContact CG-CD2 3.74Å; L124-L158 VanDerWaalsContact O-CD2 3.28Å; L124-L158 WeakPolarHBondContact O-CD2 3.3Å; F125-L158 HydrophobicContact CD1-CD2 4.18Å; F127-L158 WeakPolarHBondContact O-CD1 3.09Å; R154-L158 WeakPolarHBondContact O-CB 3.42Å; R154-L158 PolarHBondContact O-N 3.07Å; Y155-L158 WeakPolarHBondContact O-CB 3.3Å; Y155-L158 PolarHBondContact O-N 3.16Å; Y155-L158 VanDerWaalsContact O-N 3.13Å; A156-L158 VanDerWaalsContact C-N 3.35Å; A156-L158 PolarHBondContact O-N 3.02Å; L158-V160 VanDerWaalsContact C-N 3.32Å; L158-V160 PolarHBondContact O-N 3.34Å; L158-S161 WeakPolarHBondContact O-CB 3.34Å; L158-S161 PolarHBondContact O-N 2.92Å; L158-S161 PolarHBondContact O-OG 3.35Å; L158-L162 HydrophobicContact CD1-CD1 4.16Å; L158-L162 HydrophobicContact CD1-CG 4.25Å; L158-L162 HydrophobicContact CG-CD1 4.22Å; L158-L162 WeakPolarHBondContact O-CG 3.29Å; L158-L162 PolarHBondContact O-N 2.88Å
159	I	98.8	Very high	98.1	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-56	-47.3	-179.5	-66.3	-55.7	0	0	0	110.8	F55 P57 I138 Y155 A156 S161 L162 M163 Y169 F197	F55-I159 HydrophobicContact CD1-CD1 4.45Å; F55-I159 HydrophobicContact CE1-CD1 3.88Å; P57-I159 HydrophobicContact CB-CD1 3.98Å; P57-I159 HydrophobicContact CG-CD1 4.02Å; I138-I159 HydrophobicContact CD1-CG2 3.75Å; Y155-I159 HydrophobicContact CD1-CG1 3.85Å; Y155-I159 HydrophobicContact CE1-CD1 4.19Å; Y155-I159 HydrophobicContact CE1-CG1 3.45Å; Y155-I159 VanDerWaalsContact CE1-CG1 3.45Å; Y155-I159 HydrophobicContact CE2-CD1 4.26Å; Y155-I159 HydrophobicContact CE2-CG1 4.23Å; Y155-I159 HydrophobicContact CG-CG1 4.37Å; Y155-I159 WeakPolarHBondContact O-CG1 3.13Å; Y155-I159 PolarHBondContact O-N 3.35Å; A156-I159 PolarHBondContact O-N 3.27Å; I159-S161 VanDerWaalsContact C-N 3.28Å; I159-S161 PolarHBondContact O-N 3.4Å; I159-L162 WeakPolarHBondContact O-CB 3.34Å; I159-L162 PolarHBondContact O-N 2.86Å; I159-M163 WeakPolarHBondContact O-CG 3.37Å; I159-M163 PolarHBondContact O-N 2.8Å; I159-Y169 HydrophobicContact CG2-CD1 4.1Å; I159-Y169 HydrophobicContact CG2-CE1 3.76Å; I159-Y169 HydrophobicContact CG2-CE2 4.39Å; I159-F197 HydrophobicContact CB-CE1 4.5Å; I159-F197 HydrophobicContact CG2-CE1 4.49Å
160	V	98.6	Very high	98.2	Very high	17 Å²	17	42.7 Å²	42.7	10%	0.103	22%	0.223	C	C	.	.	H	α-helix	trans	-60	-36.5	176.9	171.1	0	0	0	0	112	A156 L158 L162 M163 F197 R200 L233	A156-V160 WeakPolarHBondContact O-CB 3.33Å; A156-V160 VanDerWaalsContact O-CG2 3.28Å; A156-V160 WeakPolarHBondContact O-CG2 3.42Å; A156-V160 PolarHBondContact O-N 3.28Å; L158-V160 VanDerWaalsContact C-N 3.32Å; L158-V160 PolarHBondContact O-N 3.34Å; V160-L162 PolarHBondContact O-N 3.18Å; V160-M163 HydrophobicContact CG2-SD 4.45Å; V160-M163 WeakPolarHBondContact O-CB 3.36Å; V160-M163 PolarHBondContact O-N 2.76Å; V160-F197 HydrophobicContact CG2-CD1 3.97Å; V160-F197 HydrophobicContact CG2-CE1 4.36Å; V160-R200 HydrophobicContact CG1-CB 4.2Å; V160-R200 HydrophobicContact CG1-CG 4.43Å; V160-L233 HydrophobicContact CG1-CD2 4.11Å
161	S	98.3	Very high	98.4	Very high	49 Å²	49	35 Å²	35	34%	0.343	19%	0.194	S	C	.	.	H	α-helix	trans	-67	-25.6	177	80.4	0	0	0	0	113.6	Q134 A157 L158 I159	Q134-S161 PolarHBondContact NE2-O 3.25Å; Q134-S161 VanDerWaalsContact NE2-O 3.11Å; A157-S161 PolarHBondContact O-N 2.64Å; L158-S161 WeakPolarHBondContact O-CB 3.34Å; L158-S161 PolarHBondContact O-N 2.92Å; L158-S161 PolarHBondContact O-OG 3.35Å; I159-S161 VanDerWaalsContact C-N 3.28Å; I159-S161 PolarHBondContact O-N 3.4Å
162	L	98.7	Very high	98.4	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-85.2	-13.5	179	-63.1	178.1	0	0	0	112.5	F55 F127 Q134 F135 L158 I159 V160 A164	F55-L162 HydrophobicContact CD1-CD1 4.07Å; F55-L162 HydrophobicContact CE1-CD1 3.5Å; F55-L162 VanDerWaalsContact CE1-CD1 3.5Å; F55-L162 HydrophobicContact CE2-CD1 4.36Å; F55-L162 HydrophobicContact CZ-CD1 3.67Å; F127-L162 HydrophobicContact CD1-CD1 4.16Å; F127-L162 HydrophobicContact CD1-CD2 4.33Å; F127-L162 HydrophobicContact CE1-CD2 4.48Å; Q134-L162 CarbonylContact C-O 3.6Å; Q134-L162 VanDerWaalsContact CA-O 3.26Å; Q134-L162 WeakPolarHBondContact CA-O 3.45Å; Q134-L162 WeakPolarHBondContact CB-O 3.27Å; F135-L162 HydrophobicContact CD2-CB 3.96Å; F135-L162 WeakPolarHBondContact CD2-O 3.34Å; F135-L162 HydrophobicContact CE2-CB 4.24Å; F135-L162 HydrophobicContact CE2-CD2 4.24Å; F135-L162 PolarHBondContact N-O 2.94Å; L158-L162 HydrophobicContact CD1-CD1 4.16Å; L158-L162 HydrophobicContact CD1-CG 4.25Å; L158-L162 HydrophobicContact CG-CD1 4.22Å; L158-L162 WeakPolarHBondContact O-CG 3.29Å; L158-L162 PolarHBondContact O-N 2.88Å; I159-L162 WeakPolarHBondContact O-CB 3.34Å; I159-L162 PolarHBondContact O-N 2.86Å; V160-L162 PolarHBondContact O-N 3.18Å; L162-A164 PolarHBondContact O-N 3.07Å
163	M	98.8	Very high	98.5	Very high	2 Å²	2	33.2 Å²	33.2	1%	0.01	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	122.3	178.4	-66.7	179.3	77.5	0	0	111.3	Q134 I138 I159 V160 C167 Y169 L233	Q134-M163 PolarHBondContact NE2-O 2.99Å; I138-M163 HydrophobicContact CD1-CG 3.74Å; I159-M163 WeakPolarHBondContact O-CG 3.37Å; I159-M163 PolarHBondContact O-N 2.8Å; V160-M163 HydrophobicContact CG2-SD 4.45Å; V160-M163 WeakPolarHBondContact O-CB 3.36Å; V160-M163 PolarHBondContact O-N 2.76Å; M163-C167 HydrophobicContact CB-CB 3.61Å; M163-C167 HydrophobicContact CE-CB 3.85Å; M163-C167 HydrophobicContact CG-CB 4.02Å; M163-Y169 HydrophobicContact SD-CD1 4.46Å; M163-L233 HydrophobicContact CB-CD1 3.91Å; M163-L233 HydrophobicContact CB-CD2 4.33Å; M163-L233 HydrophobicContact CB-CG 4.18Å; M163-L233 HydrophobicContact CE-CD2 4.29Å; M163-L233 HydrophobicContact CE-CG 4Å; M163-L233 HydrophobicContact SD-CD2 3.99Å; M163-L233 HydrophobicContact SD-CG 4.28Å
164	A	98.3	Very high	98.4	Very high	14 Å²	14	28.7 Å²	28.7	12%	0.116	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	161.9	164.1	0	0	0	0	0	110.5	Q134 F135 L162 D166 C167 L233	Q134-A164 HydrophobicContact CB-CB 4.04Å; F135-A164 VanDerWaalsContact O-CB 3.29Å; F135-A164 WeakPolarHBondContact O-CB 3.49Å; F135-A164 PolarHBondContact O-N 3.18Å; L162-A164 PolarHBondContact O-N 3.07Å; A164-D166 PolarHBondContact O-N 3.22Å; A164-D166 VanDerWaalsContact O-N 3.11Å; A164-C167 WeakPolarHBondContact O-CB 3.36Å; A164-C167 PolarHBondContact O-N 2.67Å; A164-L233 WeakPolarHBondContact O-CD1 3.35Å
165	P	96.7	Very high	98.4	Very high	116 Å²	116	23.9 Å²	23.9	75%	0.753	15%	0.146	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-54.7	-32.3	-179.3	-28.9	36.5	0	0	0	114.9
166	D	96.3	Very high	98.3	Very high	90 Å²	90	24.5 Å²	24.5	48%	0.481	15%	0.148	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	16.7	177.6	72.8	-34.2	0	0	0	112.9	R49 A164 R168	R49-D166 IonicContact CZ-OD2 3.53Å; R49-D166 VanDerWaalsContact NH1-CG 3.25Å; R49-D166 PolarHBondContact NH1-O 2.72Å; R49-D166 IonicContact NH1-OD1 3.93Å; R49-D166 IonicContact NH1-OD2 2.67Å; R49-D166 PolarHBondContact NH1-OD2 2.89Å; A164-D166 PolarHBondContact O-N 3.22Å; A164-D166 VanDerWaalsContact O-N 3.11Å; D166-R168 PolarHBondContact O-N 3.47Å
167	C	98.6	Very high	98.2	Very high	2 Å²	2	26.7 Å²	26.7	1%	0.014	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	137	-177.2	-170.4	0	0	0	0	112.2	F135 G136 M163 A164	F135-C167 VanDerWaalsContact O-CB 3.25Å; F135-C167 WeakPolarHBondContact O-CB 3.26Å; F135-C167 PolarHBondContact O-SG 3.2Å; G136-C167 VanDerWaalsContact O-CA 3.32Å; G136-C167 WeakPolarHBondContact O-CA 3.48Å; M163-C167 HydrophobicContact CB-CB 3.61Å; M163-C167 HydrophobicContact CE-CB 3.85Å; M163-C167 HydrophobicContact CG-CB 4.02Å; A164-C167 WeakPolarHBondContact O-CB 3.36Å; A164-C167 PolarHBondContact O-N 2.67Å
168	R	98.8	Very high	98	Very high	54 Å²	54	23.8 Å²	23.8	20%	0.204	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	108.9	170.3	-74.2	-164.7	146.1	-176.5	5.1	109.7	A44 V45 N47 G136 A137 I138 D166 L230 T232	A44-R168 VanDerWaalsContact O-CD 3.26Å; A44-R168 WeakPolarHBondContact O-CD 3.32Å; A44-R168 PolarHBondContact O-NH1 3.23Å; V45-R168 HydrophobicContact CG1-CB 3.9Å; V45-R168 WeakPolarHBondContact O-CD 3.49Å; N47-R168 VanDerWaalsContact CG-CZ 3.45Å; N47-R168 PolarHBondContact OD1-NH1 3.22Å; G136-R168 PolarHBondContact O-N 2.79Å; A137-R168 VanDerWaalsContact CA-O 3.26Å; A137-R168 WeakPolarHBondContact CA-O 3.17Å; I138-R168 PolarHBondContact N-O 3.47Å; I138-R168 VanDerWaalsContact N-O 3.15Å; D166-R168 PolarHBondContact O-N 3.47Å; R168-L230 HydrophobicContact CB-CD1 3.94Å; R168-L230 HydrophobicContact CG-CD1 4.36Å; R168-T232 HydrophobicContact CG-CG2 4.04Å
169	Y	98.9	Very high	97.8	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	112.5	-175.6	167.9	-153.6	0	0	0	109.9	I138 D140 I159 M163 L171 F197 L230 L231	I138-Y169 HydrophobicContact CB-CD2 3.61Å; I138-Y169 HydrophobicContact CB-CE2 4.29Å; I138-Y169 HydrophobicContact CB-CG 4.2Å; I138-Y169 HydrophobicContact CG2-CD2 3.65Å; I138-Y169 HydrophobicContact CG2-CE2 3.8Å; D140-Y169 HydrophobicContact CB-CD2 4.47Å; D140-Y169 HydrophobicContact CB-CE2 3.42Å; D140-Y169 VanDerWaalsContact CB-CE2 3.42Å; D140-Y169 PolarHBondContact OD2-OH 3.31Å; I159-Y169 HydrophobicContact CG2-CD1 4.1Å; I159-Y169 HydrophobicContact CG2-CE1 3.76Å; I159-Y169 HydrophobicContact CG2-CE2 4.39Å; M163-Y169 HydrophobicContact SD-CD1 4.46Å; Y169-L171 HydrophobicContact CD2-CB 4.41Å; Y169-L171 HydrophobicContact CE1-CB 4.39Å; Y169-L171 HydrophobicContact CE2-CB 3.85Å; Y169-F197 HydrophobicContact CE1-CD1 4.28Å; Y169-F197 AromaticContact CE1-CE1 3.81Å; Y169-F197 HydrophobicContact CE1-CE1 3.81Å; Y169-F197 HydrophobicContact CE1-CE2 4.33Å; Y169-F197 AromaticContact CE1-CZ 3.83Å; Y169-F197 HydrophobicContact CE1-CZ 3.83Å; Y169-L230 CarbonylContact O-C 3.59Å; Y169-L230 WeakPolarHBondContact O-CA 3.4Å; Y169-L231 HydrophobicContact CD1-CB 3.71Å; Y169-L231 HydrophobicContact CD1-CD1 4.18Å; Y169-L231 HydrophobicContact CD1-CD2 3.83Å; Y169-L231 HydrophobicContact CD1-CG 4.12Å; Y169-L231 HydrophobicContact CE1-CD1 4.41Å; Y169-L231 HydrophobicContact CE1-CD2 3.94Å; Y169-L231 HydrophobicContact CG-CB 4.12Å; Y169-L231 PolarHBondContact N-O 3.2Å; Y169-L231 PolarHBondContact O-N 3.05Å
170	L	98.8	Very high	97.7	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	113.7	175.9	-163.5	72.3	0	0	0	108.8	L38 N41 V45 I138 W139 D140 L206 V228 H229	L38-L170 HydrophobicContact CD1-CD2 3.97Å; N41-L170 HydrophobicContact CB-CD1 3.99Å; N41-L170 HydrophobicContact CB-CD2 4.02Å; V45-L170 HydrophobicContact CG2-CB 3.85Å; V45-L170 HydrophobicContact CG2-CD1 4.01Å; V45-L170 HydrophobicContact CG2-CD2 3.95Å; V45-L170 HydrophobicContact CG2-CG 4.16Å; I138-L170 PolarHBondContact O-N 3.33Å; W139-L170 HydrophobicContact CE3-CB 3.83Å; W139-L170 HydrophobicContact CE3-CD2 3.58Å; W139-L170 HydrophobicContact CE3-CG 3.75Å; W139-L170 HydrophobicContact CH2-CD2 4.47Å; W139-L170 HydrophobicContact CZ3-CB 4.24Å; W139-L170 HydrophobicContact CZ3-CD2 3.55Å; W139-L170 HydrophobicContact CZ3-CG 3.67Å; D140-L170 PolarHBondContact N-O 2.88Å; L170-L206 HydrophobicContact CD1-CD1 3.95Å; L170-V228 HydrophobicContact CD1-CG1 3.39Å; L170-V228 HydrophobicContact CD2-CG1 4.28Å; L170-V228 HydrophobicContact CG-CG1 3.72Å; L170-H229 WeakPolarHBondContact CA-O 3.47Å
171	L	98.9	Very high	97.5	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	123.2	-174.8	168.5	60.7	0	0	0	110.6	D140 L144 Y169 T173 V193 F197 V228 H229 L231	D140-L171 HydrophobicContact CB-CD1 4.06Å; D140-L171 WeakPolarHBondContact OD2-CD1 3.37Å; L144-L171 HydrophobicContact CB-CD1 3.87Å; L144-L171 HydrophobicContact CD2-CD1 3.68Å; L144-L171 HydrophobicContact CD2-CD2 3.74Å; L144-L171 HydrophobicContact CD2-CG 4.33Å; L144-L171 HydrophobicContact CG-CD1 4.42Å; Y169-L171 HydrophobicContact CD2-CB 4.41Å; Y169-L171 HydrophobicContact CE1-CB 4.39Å; Y169-L171 HydrophobicContact CE2-CB 3.85Å; L171-T173 HydrophobicContact CD1-CG2 4.13Å; L171-T173 HydrophobicContact CD2-CG2 4.24Å; L171-T173 HydrophobicContact CG-CG2 3.98Å; L171-V193 HydrophobicContact CD2-CG1 3.8Å; L171-V193 HydrophobicContact CD2-CG2 4.08Å; L171-F197 HydrophobicContact CD2-CD2 4.49Å; L171-F197 HydrophobicContact CD2-CE2 4.06Å; L171-V228 CarbonylContact O-C 3.52Å; L171-V228 WeakPolarHBondContact O-CA 3.45Å; L171-H229 HydrophobicContact CB-CB 4.45Å; L171-H229 PolarHBondContact N-O 3.31Å; L171-H229 PolarHBondContact O-N 2.99Å; L171-L231 HydrophobicContact CB-CD1 3.8Å; L171-L231 HydrophobicContact CD2-CD1 4.19Å
172	D	98.7	Very high	97.3	Very high	3 Å²	3	38.9 Å²	38.9	2%	0.016	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	126.5	175.3	-179.7	-96.6	0	0	0	111.1	W139 D140 R141 E226 N227	W139-D172 HydrophobicContact CH2-CB 3.84Å; W139-D172 HydrophobicContact CZ3-CB 4.05Å; D140-D172 WeakPolarHBondContact O-CB 3.36Å; D140-D172 PolarHBondContact O-N 2.92Å; R141-D172 HydrophobicContact CB-CB 3.74Å; R141-D172 HydrophobicContact CG-CB 3.83Å; D172-E226 WeakPolarHBondContact OD2-CG 2.86Å; D172-N227 CarbonylContact C-O 3.55Å; D172-N227 WeakPolarHBondContact CA-O 3.25Å
173	T	98.6	Very high	97	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	157	177.4	65	0	0	0	0	111.9	L171 V188 V193 N227	L171-T173 HydrophobicContact CD1-CG2 4.13Å; L171-T173 HydrophobicContact CD2-CG2 4.24Å; L171-T173 HydrophobicContact CG-CG2 3.98Å; T173-V188 WeakPolarHBondContact CB-O 3.26Å; T173-V188 HydrophobicContact CG2-CB 4.03Å; T173-V188 HydrophobicContact CG2-CG1 3.87Å; T173-V193 HydrophobicContact CG2-CG2 4.02Å; T173-N227 PolarHBondContact N-O 2.93Å; T173-N227 PolarHBondContact O-N 3.19Å
174	L	98.1	Very high	96.8	Very high	19 Å²	19	39.7 Å²	39.7	10%	0.099	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	124.3	-178.2	-64.1	175.3	0	0	0	110.7	Y176 P185 L224 T225 E226	L174-Y176 HydrophobicContact CB-CD1 4.34Å; L174-P185 HydrophobicContact CD1-CB 3.77Å; L174-P185 HydrophobicContact CD1-CG 3.47Å; L174-P185 VanDerWaalsContact CD1-CG 3.47Å; L174-L224 HydrophobicContact CB-CD1 4.1Å; L174-L224 HydrophobicContact CD2-CD1 4.3Å; L174-L224 HydrophobicContact CD2-CD2 4.46Å; L174-L224 HydrophobicContact CD2-CG 4.45Å; L174-T225 WeakPolarHBondContact CA-O 3.45Å; L174-E226 HydrophobicContact CD2-CB 3.88Å; L174-E226 HydrophobicContact CD2-CG 3.97Å
175	L	97.8	Very high	96.7	Very high	43 Å²	43	40.3 Å²	40.3	23%	0.225	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	125.6	173.4	-51.1	-176.9	0	0	0	109.9	F187 P189 L224 T225 N227	L175-F187 HydrophobicContact CB-CE2 4.13Å; L175-F187 HydrophobicContact CD2-CD2 4.45Å; L175-F187 HydrophobicContact CD2-CE2 3.79Å; L175-F187 HydrophobicContact CD2-CZ 4.41Å; L175-P189 HydrophobicContact CD2-CB 4.22Å; L175-L224 CarbonylContact O-C 3.54Å; L175-L224 WeakPolarHBondContact O-CA 3.22Å; L175-T225 PolarHBondContact N-O 3.46Å; L175-T225 PolarHBondContact O-N 3.14Å; L175-N227 WeakPolarHBondContact CD1-ND2 3.34Å
176	Y	97.3	Very high	96.7	Very high	13 Å²	13	34.8 Å²	34.8	5%	0.051	17%	0.17	C	C	.	.			trans	-158.5	174.7	176.1	60.5	-90.8	0	0	0	108.5	Q8 L174 P178 Y181 P185 F186 F187 L221 L224	Q8-Y176 PolarHBondContact NE2-OH 3.47Å; L174-Y176 HydrophobicContact CB-CD1 4.34Å; Y176-P178 HydrophobicContact CE2-CB 4.44Å; Y176-P178 WeakPolarHBondContact O-CD 3.45Å; Y176-Y181 HydrophobicContact CE2-CD1 4.02Å; Y176-Y181 HydrophobicContact CE2-CG 4.43Å; Y176-Y181 AromaticContact CZ-CD1 3.95Å; Y176-P185 PolarHBondContact OH-O 3.4Å; Y176-F186 WeakPolarHBondContact OH-CA 3.38Å; Y176-F187 HydrophobicContact CD1-CD2 4.5Å; Y176-F187 HydrophobicContact CE1-CB 4.1Å; Y176-F187 HydrophobicContact CE2-CB 4.4Å; Y176-F187 WeakPolarHBondContact O-CD2 3.25Å; Y176-F187 WeakPolarHBondContact O-CE2 3.19Å; Y176-F187 PolarHBondContact OH-N 3.42Å; Y176-L221 HydrophobicContact CD2-CD1 4.24Å; Y176-L221 HydrophobicContact CD2-CD2 3.65Å; Y176-L221 HydrophobicContact CE2-CD2 4.48Å; Y176-L221 HydrophobicContact CG-CD1 4.02Å; Y176-L221 HydrophobicContact CG-CD2 4.12Å; Y176-L224 HydrophobicContact CD1-CD1 3.89Å; Y176-L224 HydrophobicContact CG-CD1 4.28Å
177	N	95.8	Very high	96.8	Very high	51 Å²	51	31 Å²	31	27%	0.273	15%	0.15	S	C	.	.			trans	-76.6	109	172.9	-177.4	-3.5	0	0	0	111	E179 L180	N177-E179 PolarHBondContact O-N 3.07Å; N177-E179 VanDerWaalsContact O-N 3.13Å; N177-E179 WeakPolarHBondContact OD1-CB 3.29Å; N177-E179 PolarHBondContact OD1-N 3.47Å; N177-L180 HydrophobicContact CB-CD1 3.98Å; N177-L180 HydrophobicContact CB-CG 4.06Å; N177-L180 PolarHBondContact O-N 3.48Å
178	P	95.2	Very high	96.8	Very high	4 Å²	4	31 Å²	31	3%	0.026	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-9.7	-177.3	30.4	-35.1	0	0	0	114	M4 Q7 Q8 Y176 L180 F187	M4-P178 HydrophobicContact CB-CG 3.88Å; M4-P178 HydrophobicContact CE-CG 4.18Å; M4-P178 HydrophobicContact CG-CG 4.37Å; M4-P178 WeakPolarHBondContact O-CG 3.29Å; Q7-P178 HydrophobicContact CB-CB 4.35Å; Q8-P178 HydrophobicContact CG-CB 4.24Å; Y176-P178 HydrophobicContact CE2-CB 4.44Å; Y176-P178 WeakPolarHBondContact O-CD 3.45Å; P178-L180 VanDerWaalsContact C-N 3.33Å; P178-F187 HydrophobicContact CB-CB 4.03Å; P178-F187 HydrophobicContact CB-CD1 4.45Å; P178-F187 HydrophobicContact CB-CG 4.35Å; P178-F187 HydrophobicContact CG-CD1 4.09Å; P178-F187 HydrophobicContact CG-CG 4.34Å
179	E	94.6	Very high	96.7	Very high	131 Å²	131	28.6 Å²	28.6	61%	0.612	14%	0.141	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.9	-27.6	170.9	-61.5	-178.1	173.2	0	0	112.2	Q7 N177	Q7-E179 HydrophobicContact CG-CG 4.01Å; N177-E179 PolarHBondContact O-N 3.07Å; N177-E179 VanDerWaalsContact O-N 3.13Å; N177-E179 WeakPolarHBondContact OD1-CB 3.29Å; N177-E179 PolarHBondContact OD1-N 3.47Å
180	L	95.7	Very high	96.6	Very high	74 Å²	74	31.2 Å²	31.2	39%	0.387	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-24.1	-178.9	-60.9	179.9	0	0	0	112.7	N177 P178 L221	N177-L180 HydrophobicContact CB-CD1 3.98Å; N177-L180 HydrophobicContact CB-CG 4.06Å; N177-L180 PolarHBondContact O-N 3.48Å; P178-L180 VanDerWaalsContact C-N 3.33Å; L180-L221 HydrophobicContact CB-CD2 3.96Å
181	Y	95.3	Very high	96.5	Very high	42 Å²	42	36.2 Å²	36.2	17%	0.165	18%	0.178	C	C	.	.			trans	-144.7	131.2	-177.6	-173.3	-112	0	0	0	112.1	Q8 Y176 G183 P184 W219	Q8-Y181 PolarHBondContact NE2-O 2.83Å; Y176-Y181 HydrophobicContact CE2-CD1 4.02Å; Y176-Y181 HydrophobicContact CE2-CG 4.43Å; Y176-Y181 AromaticContact CZ-CD1 3.95Å; Y181-G183 VanDerWaalsContact CE1-CA 3.47Å; Y181-P184 PolarHBondContact OH-O 3.33Å; Y181-W219 HydrophobicContact CD1-CE3 4.21Å; Y181-W219 HydrophobicContact CD2-CB 3.7Å; Y181-W219 HydrophobicContact CD2-CG 4.22Å; Y181-W219 HydrophobicContact CE1-CD2 4.43Å; Y181-W219 AromaticContact CE1-CE3 3.87Å; Y181-W219 HydrophobicContact CE1-CE3 3.87Å; Y181-W219 HydrophobicContact CE1-CZ3 4.17Å; Y181-W219 HydrophobicContact CE2-CB 3.83Å; Y181-W219 HydrophobicContact CE2-CD2 4.01Å; Y181-W219 HydrophobicContact CE2-CE3 4.21Å; Y181-W219 AromaticContact CE2-CG 3.85Å; Y181-W219 HydrophobicContact CE2-CG 3.85Å; Y181-W219 HydrophobicContact CG-CB 4.38Å; Y181-W219 AromaticContact CZ-CD2 3.94Å; Y181-W219 AromaticContact CZ-CE3 3.85Å
182	K	92.9	Very high	96.5	Very high	159 Å²	159	37.5 Å²	37.5	69%	0.691	18%	0.184	S	C	*	.			trans	-87.2	-7.3	-172.9	-61.7	-171.8	178.3	-174.8	0	114.6	F186	K182-F186 WeakPolarHBondContact O-CE1 3.42Å
183	G	92.8	Very high	96.4	Very high	11 Å²	11	37.4 Å²	37.4	11%	0.113	18%	0.184	C	C	.	.			trans	74.8	176.6	-172.2	0	0	0	0	0	114.4	Y181 P185	Y181-G183 VanDerWaalsContact CE1-CA 3.47Å; G183-P185 WeakPolarHBondContact CA-O 3.18Å
184	P	93.9	Very high	96.4	Very high	8 Å²	8	41.8 Å²	41.8	5%	0.052	20%	0.204	C	C	.	.	S	Bend	cis	-74.9	155.5	-11.1	31.9	-36.1	0	0	0	112.7	M13 W18 Y181 F186	M13-P184 HydrophobicContact CG-CG 4.06Å; M13-P184 VanDerWaalsContact SD-CD 3.57Å; M13-P184 HydrophobicContact SD-CG 3.7Å; W18-P184 HydrophobicContact CH2-CB 4.2Å; W18-P184 HydrophobicContact CH2-CG 3.77Å; W18-P184 HydrophobicContact CZ2-CB 4.16Å; W18-P184 HydrophobicContact CZ2-CG 3.74Å; Y181-P184 PolarHBondContact OH-O 3.33Å; P184-F186 HydrophobicContact CB-CD2 4.3Å; P184-F186 HydrophobicContact CB-CE2 4.18Å
185	P	96.5	Very high	96.4	Very high	26 Å²	26	45.3 Å²	45.3	17%	0.169	23%	0.231	C	C	.	.	S	Bend	cis	-70.9	136.8	1.1	29.5	-35.3	0	0	0	111.6	V145 L174 Y176 G183 W219	V145-P185 HydrophobicContact CB-CB 3.98Å; V145-P185 HydrophobicContact CG2-CB 3.84Å; V145-P185 CarbonylContact O-C 3.55Å; V145-P185 WeakPolarHBondContact O-CA 3.46Å; L174-P185 HydrophobicContact CD1-CB 3.77Å; L174-P185 HydrophobicContact CD1-CG 3.47Å; L174-P185 VanDerWaalsContact CD1-CG 3.47Å; Y176-P185 PolarHBondContact OH-O 3.4Å; G183-P185 WeakPolarHBondContact CA-O 3.18Å; P185-W219 HydrophobicContact CG-CH2 4.24Å; P185-W219 HydrophobicContact CG-CZ3 4.08Å
186	F	97.8	Very high	96.5	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.225	C	C	.	.	P	Polyproline II helix	trans	-77.6	155.6	178.5	-64.3	-68.3	0	0	0	111.6	Q8 R11 V145 I147 P149 Y176 K182 P184 V188	Q8-F186 HydrophobicContact CB-CD1 4.26Å; Q8-F186 HydrophobicContact CG-CD1 4.5Å; R11-F186 HydrophobicContact CB-CE1 3.86Å; R11-F186 HydrophobicContact CB-CZ 4.4Å; R11-F186 HydrophobicContact CG-CE1 3.54Å; R11-F186 HydrophobicContact CG-CZ 3.93Å; V145-F186 WeakPolarHBondContact O-CB 3.2Å; V145-F186 VanDerWaalsContact O-CD2 3.25Å; V145-F186 WeakPolarHBondContact O-CD2 3.11Å; V145-F186 PolarHBondContact O-N 3Å; I147-F186 VanDerWaalsContact O-CD2 3.26Å; I147-F186 WeakPolarHBondContact O-CD2 3.47Å; P149-F186 HydrophobicContact CG-CD1 4.37Å; P149-F186 HydrophobicContact CG-CG 4.49Å; Y176-F186 WeakPolarHBondContact OH-CA 3.38Å; K182-F186 WeakPolarHBondContact O-CE1 3.42Å; P184-F186 HydrophobicContact CB-CD2 4.3Å; P184-F186 HydrophobicContact CB-CE2 4.18Å; F186-V188 PolarHBondContact O-N 3.19Å
187	F	97.8	Very high	96.5	Very high	12 Å²	12	43.6 Å²	43.6	5%	0.053	22%	0.222	C	C	.	.	P	Polyproline II helix	trans	-71.7	125.8	174.6	177.6	-112.7	0	0	0	109.9	M4 L5 R152 L175 Y176 P178 P189	M4-F187 HydrophobicContact CB-CE1 4.19Å; M4-F187 HydrophobicContact CE-CE1 4Å; M4-F187 HydrophobicContact CE-CZ 3.82Å; L5-F187 HydrophobicContact CD2-CD1 4.34Å; R152-F187 PolarHBondContact NH1-O 3.15Å; L175-F187 HydrophobicContact CB-CE2 4.13Å; L175-F187 HydrophobicContact CD2-CD2 4.45Å; L175-F187 HydrophobicContact CD2-CE2 3.79Å; L175-F187 HydrophobicContact CD2-CZ 4.41Å; Y176-F187 HydrophobicContact CD1-CD2 4.5Å; Y176-F187 HydrophobicContact CE1-CB 4.1Å; Y176-F187 HydrophobicContact CE2-CB 4.4Å; Y176-F187 WeakPolarHBondContact O-CD2 3.25Å; Y176-F187 WeakPolarHBondContact O-CE2 3.19Å; Y176-F187 PolarHBondContact OH-N 3.42Å; P178-F187 HydrophobicContact CB-CB 4.03Å; P178-F187 HydrophobicContact CB-CD1 4.45Å; P178-F187 HydrophobicContact CB-CG 4.35Å; P178-F187 HydrophobicContact CG-CD1 4.09Å; P178-F187 HydrophobicContact CG-CG 4.34Å; F187-P189 HydrophobicContact CD1-CG 4.3Å; F187-P189 HydrophobicContact CE1-CB 3.88Å; F187-P189 HydrophobicContact CE1-CG 3.66Å; F187-P189 HydrophobicContact CE2-CB 4.41Å; F187-P189 HydrophobicContact CZ-CB 3.68Å; F187-P189 HydrophobicContact CZ-CG 4.03Å
188	V	98.1	Very high	96.6	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.216	C	C	.	.			trans	-133.9	93.2	177.8	-176.5	0	0	0	0	108.6	L144 V145 T173 F186 Q192 V193	L144-V188 HydrophobicContact CD2-CG1 3.99Å; V145-V188 HydrophobicContact CG1-CB 4.33Å; V145-V188 HydrophobicContact CG1-CG2 3.92Å; T173-V188 WeakPolarHBondContact CB-O 3.26Å; T173-V188 HydrophobicContact CG2-CB 4.03Å; T173-V188 HydrophobicContact CG2-CG1 3.87Å; F186-V188 PolarHBondContact O-N 3.19Å; V188-Q192 HydrophobicContact CG1-CB 4.43Å; V188-V193 HydrophobicContact CG1-CG2 3.99Å
189	P	97.1	Very high	96.7	Very high	4 Å²	4	46 Å²	46	3%	0.026	25%	0.246	C	C	.	.			trans	-77.3	161.6	179.6	33.1	-35.5	0	0	0	112.4	L1 L5 L175 F187 E191 Q192 V193	L1-P189 HydrophobicContact CD1-CB 4.12Å; L1-P189 HydrophobicContact CD1-CG 3.94Å; L5-P189 HydrophobicContact CD2-CG 3.92Å; L175-P189 HydrophobicContact CD2-CB 4.22Å; F187-P189 HydrophobicContact CD1-CG 4.3Å; F187-P189 HydrophobicContact CE1-CB 3.88Å; F187-P189 HydrophobicContact CE1-CG 3.66Å; F187-P189 HydrophobicContact CE2-CB 4.41Å; F187-P189 HydrophobicContact CZ-CB 3.68Å; F187-P189 HydrophobicContact CZ-CG 4.03Å; P189-E191 WeakPolarHBondContact CB-OE2 3.38Å; P189-E191 PolarHBondContact O-N 2.89Å; P189-E191 VanDerWaalsContact O-N 3.16Å; P189-Q192 HydrophobicContact CG-CB 4.03Å; P189-Q192 WeakPolarHBondContact O-CA 3.3Å; P189-Q192 WeakPolarHBondContact O-CB 3.41Å; P189-Q192 PolarHBondContact O-N 3.34Å; P189-V193 PolarHBondContact O-N 3.18Å; P189-V193 VanDerWaalsContact O-N 3.09Å
190	D	97.4	Very high	96.9	Very high	55 Å²	55	46.9 Å²	46.9	29%	0.294	24%	0.243	S	C	.	.	H	α-helix	trans	-54	-37.1	-179.2	-63.1	3.6	0	0	0	111.9	Q192 V193 Q194 N227 H229	D190-Q192 VanDerWaalsContact C-N 3.3Å; D190-Q192 PolarHBondContact O-N 3.12Å; D190-V193 WeakPolarHBondContact O-CB 3.41Å; D190-V193 PolarHBondContact O-N 3.15Å; D190-Q194 VanDerWaalsContact O-CG 3.32Å; D190-Q194 WeakPolarHBondContact O-CG 3.37Å; D190-Q194 PolarHBondContact O-N 3.04Å; D190-N227 PolarHBondContact OD1-ND2 3.21Å; D190-H229 IonicContact OD1-CE1 3.8Å; D190-H229 PolarHBondContact OD1-CE1 3.47Å; D190-H229 VanDerWaalsContact OD1-CE1 3.26Å; D190-H229 IonicContact OD1-NE2 2.75Å; D190-H229 PolarHBondContact OD1-NE2 2.99Å; D190-H229 IonicContact OD2-NE2 3.79Å
191	E	97.1	Very high	97	Very high	106 Å²	106	43.4 Å²	43.4	50%	0.495	23%	0.225	S	C	.	.	H	α-helix	trans	-66.4	-31.3	176.8	-60.1	93.2	157.4	0	0	112.8	L1 P189 S195	L1-E191 WeakPolarHBondContact CD1-OE2 2.99Å; L1-E191 HydrophobicContact CD2-CB 3.39Å; L1-E191 HydrophobicContact CD2-CG 3.66Å; P189-E191 WeakPolarHBondContact CB-OE2 3.38Å; P189-E191 PolarHBondContact O-N 2.89Å; P189-E191 VanDerWaalsContact O-N 3.16Å; E191-S195 WeakPolarHBondContact O-CB 3.26Å; E191-S195 PolarHBondContact O-N 3.13Å
192	Q	97.3	Very high	97.2	Very high	27 Å²	27	45.6 Å²	45.6	13%	0.126	24%	0.24	C	C	.	.	H	α-helix	trans	-73.4	-37.9	173.3	-170.4	173.3	41.3	0	0	110.9	R152 V188 P189 D190 Q194 S195 L196	R152-Q192 VanDerWaalsContact NH1-CD 3.32Å; R152-Q192 VanDerWaalsContact NH1-NE2 3.15Å; V188-Q192 HydrophobicContact CG1-CB 4.43Å; P189-Q192 HydrophobicContact CG-CB 4.03Å; P189-Q192 WeakPolarHBondContact O-CA 3.3Å; P189-Q192 WeakPolarHBondContact O-CB 3.41Å; P189-Q192 PolarHBondContact O-N 3.34Å; D190-Q192 VanDerWaalsContact C-N 3.3Å; D190-Q192 PolarHBondContact O-N 3.12Å; Q192-Q194 VanDerWaalsContact C-N 3.31Å; Q192-Q194 PolarHBondContact O-N 3.02Å; Q192-S195 PolarHBondContact O-N 2.84Å; Q192-L196 HydrophobicContact CG-CD1 3.96Å; Q192-L196 HydrophobicContact CG-CG 4.26Å; Q192-L196 WeakPolarHBondContact O-CB 3.27Å; Q192-L196 VanDerWaalsContact O-CG 3.24Å; Q192-L196 WeakPolarHBondContact O-CG 3.37Å; Q192-L196 PolarHBondContact O-N 3.08Å
193	V	98.5	Very high	97.5	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-58.7	-45.8	171.5	-178.6	0	0	0	0	110.2	L171 T173 V188 P189 D190 S195 L196 F197 V203 L231	L171-V193 HydrophobicContact CD2-CG1 3.8Å; L171-V193 HydrophobicContact CD2-CG2 4.08Å; T173-V193 HydrophobicContact CG2-CG2 4.02Å; V188-V193 HydrophobicContact CG1-CG2 3.99Å; P189-V193 PolarHBondContact O-N 3.18Å; P189-V193 VanDerWaalsContact O-N 3.09Å; D190-V193 WeakPolarHBondContact O-CB 3.41Å; D190-V193 PolarHBondContact O-N 3.15Å; V193-S195 PolarHBondContact O-N 3.2Å; V193-L196 PolarHBondContact O-N 2.79Å; V193-F197 HydrophobicContact CG1-CD2 4.1Å; V193-F197 WeakPolarHBondContact O-CD2 3.36Å; V193-F197 PolarHBondContact O-N 2.9Å; V193-V203 HydrophobicContact CG1-CG1 3.81Å; V193-L231 HydrophobicContact CG1-CD2 4.41Å
194	Q	98.3	Very high	97.7	Very high	93 Å²	93	45.1 Å²	45.1	44%	0.435	24%	0.237	S	C	.	.	H	α-helix	trans	-62.8	-41.6	175.6	-68.7	-66.9	-4.9	0	0	112.4	D190 Q192 G198	D190-Q194 VanDerWaalsContact O-CG 3.32Å; D190-Q194 WeakPolarHBondContact O-CG 3.37Å; D190-Q194 PolarHBondContact O-N 3.04Å; Q192-Q194 VanDerWaalsContact C-N 3.31Å; Q192-Q194 PolarHBondContact O-N 3.02Å; Q194-G198 WeakPolarHBondContact O-CA 3.22Å; Q194-G198 PolarHBondContact O-N 2.87Å
195	S	97.9	Very high	97.9	Very high	93 Å²	93	48.5 Å²	48.5	65%	0.65	25%	0.254	S	S	*	.	H	α-helix	trans	-62.5	-42.5	176.8	-173.9	0	0	0	0	112.2	E191 Q192 V193	E191-S195 WeakPolarHBondContact O-CB 3.26Å; E191-S195 PolarHBondContact O-N 3.13Å; Q192-S195 PolarHBondContact O-N 2.84Å; V193-S195 PolarHBondContact O-N 3.2Å
196	L	98.5	Very high	98	Very high	19 Å²	19	49.5 Å²	49.5	10%	0.099	26%	0.257	C	S	.	.	H	α-helix	trans	-74.3	-42.3	-176.5	-71.7	171.2	0	0	0	112.3	L144 R152 D153 A156 Q192 V193	L144-L196 HydrophobicContact CD1-CD1 4.17Å; L144-L196 HydrophobicContact CD2-CD1 4.46Å; R152-L196 HydrophobicContact CB-CD1 4.08Å; R152-L196 HydrophobicContact CB-CD2 3.87Å; D153-L196 WeakPolarHBondContact OD1-CD2 3.38Å; A156-L196 HydrophobicContact CB-CB 3.96Å; A156-L196 HydrophobicContact CB-CD2 4.13Å; Q192-L196 HydrophobicContact CG-CD1 3.96Å; Q192-L196 HydrophobicContact CG-CG 4.26Å; Q192-L196 WeakPolarHBondContact O-CB 3.27Å; Q192-L196 VanDerWaalsContact O-CG 3.24Å; Q192-L196 WeakPolarHBondContact O-CG 3.37Å; Q192-L196 PolarHBondContact O-N 3.08Å; V193-L196 PolarHBondContact O-N 2.79Å
197	F	98.6	Very high	98	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-117.7	-21.9	-168.2	-59.2	-76.5	0	0	0	114.4	L144 A156 I159 V160 Y169 L171 V193 S199 R200 C201 V203 L231	L144-F197 HydrophobicContact CD2-CE2 4.02Å; A156-F197 HydrophobicContact CB-CD1 4.04Å; A156-F197 HydrophobicContact CB-CE1 3.52Å; A156-F197 HydrophobicContact CB-CE2 4.45Å; A156-F197 HydrophobicContact CB-CZ 3.75Å; I159-F197 HydrophobicContact CB-CE1 4.5Å; I159-F197 HydrophobicContact CG2-CE1 4.49Å; V160-F197 HydrophobicContact CG2-CD1 3.97Å; V160-F197 HydrophobicContact CG2-CE1 4.36Å; Y169-F197 HydrophobicContact CE1-CD1 4.28Å; Y169-F197 AromaticContact CE1-CE1 3.81Å; Y169-F197 HydrophobicContact CE1-CE1 3.81Å; Y169-F197 HydrophobicContact CE1-CE2 4.33Å; Y169-F197 AromaticContact CE1-CZ 3.83Å; Y169-F197 HydrophobicContact CE1-CZ 3.83Å; L171-F197 HydrophobicContact CD2-CD2 4.49Å; L171-F197 HydrophobicContact CD2-CE2 4.06Å; V193-F197 HydrophobicContact CG1-CD2 4.1Å; V193-F197 WeakPolarHBondContact O-CD2 3.36Å; V193-F197 PolarHBondContact O-N 2.9Å; F197-S199 PolarHBondContact O-N 3.28Å; F197-R200 PolarHBondContact O-N 3.4Å; F197-C201 HydrophobicContact CB-CB 4.35Å; F197-C201 PolarHBondContact O-N 2.89Å; F197-V203 HydrophobicContact CB-CG2 4.41Å; F197-L231 HydrophobicContact CB-CD2 3.42Å; F197-L231 VanDerWaalsContact CB-CD2 3.42Å; F197-L231 HydrophobicContact CD1-CD2 4.12Å; F197-L231 HydrophobicContact CD2-CD2 3.75Å; F197-L231 HydrophobicContact CG-CD2 3.5Å
198	G	98.1	Very high	98	Very high	13 Å²	13	54 Å²	54	13%	0.134	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-18.2	-169.2	0	0	0	0	0	115	Q194 R200 K234	Q194-G198 WeakPolarHBondContact O-CA 3.22Å; Q194-G198 PolarHBondContact O-N 2.87Å; G198-R200 VanDerWaalsContact C-N 3.35Å; G198-K234 PolarHBondContact O-NZ 3.34Å
199	S	97.3	Very high	98	Very high	94 Å²	94	56.3 Å²	56.3	66%	0.657	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-26.8	172.4	63.9	0	0	0	0	113	F197	F197-S199 PolarHBondContact O-N 3.28Å
200	R	98.1	Very high	98	Very high	148 Å²	148	62.2 Å²	62.2	56%	0.558	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116	-22.7	-174.5	-59.9	-57.5	-62.2	-85	-4.1	113.8	V160 F197 G198 K234	V160-R200 HydrophobicContact CG1-CB 4.2Å; V160-R200 HydrophobicContact CG1-CG 4.43Å; F197-R200 PolarHBondContact O-N 3.4Å; G198-R200 VanDerWaalsContact C-N 3.35Å; R200-K234 PolarHBondContact O-N 2.71Å
201	C	98.6	Very high	98	Very high	1 Å²	1	60.6 Å²	60.6	1%	0.007	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	148	-176.6	-59.5	0	0	0	0	111.2	F197 L231 T232 K234	F197-C201 HydrophobicContact CB-CB 4.35Å; F197-C201 PolarHBondContact O-N 2.89Å; C201-L231 HydrophobicContact CB-CB 4.22Å; C201-L231 HydrophobicContact CB-CD2 4.32Å; C201-T232 CarbonylContact C-O 3.57Å; C201-T232 WeakPolarHBondContact CA-O 3.03Å; C201-T232 WeakPolarHBondContact CB-O 3.08Å; C201-K234 VanDerWaalsContact O-CE 3.32Å; C201-K234 WeakPolarHBondContact O-CE 3.3Å
202	D	98.4	Very high	98	Very high	88 Å²	88	56.8 Å²	56.8	47%	0.471	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	131.7	155.4	-66.1	-47.2	0	0	0	108	L231 T232 K234	D202-L231 VanDerWaalsContact O-CA 3.3Å; D202-L231 WeakPolarHBondContact O-CA 3.29Å; D202-T232 PolarHBondContact N-O 2.77Å; D202-T232 PolarHBondContact O-N 3.46Å; D202-T232 VanDerWaalsContact O-N 3.09Å; D202-K234 WeakPolarHBondContact OD1-CE 3.41Å
203	V	98.6	Very high	97.9	Very high	27 Å²	27	58.9 Å²	58.9	16%	0.164	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	120.4	-176	-178.8	0	0	0	0	108.5	V193 F197 H229 L231	V193-V203 HydrophobicContact CG1-CG1 3.81Å; F197-V203 HydrophobicContact CB-CG2 4.41Å; V203-H229 HydrophobicContact CG1-CB 4.4Å; V203-L231 HydrophobicContact CB-CG 4.46Å; V203-L231 HydrophobicContact CG1-CG 4.3Å; V203-L231 HydrophobicContact CG2-CD2 3.96Å; V203-L231 HydrophobicContact CG2-CG 4.04Å
204	K	98.6	Very high	97.8	Very high	134 Å²	134	64.7 Å²	64.7	58%	0.583	36%	0.355	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.7	120.4	179.8	-178.4	-177	176.3	-174.6	0	110.5	L206 H229 L230	K204-L206 HydrophobicContact CD-CD2 3.86Å; K204-L206 HydrophobicContact CG-CD2 4.1Å; K204-L206 PolarHBondContact O-N 3.03Å; K204-H229 CarbonylContact O-C 3.59Å; K204-H229 WeakPolarHBondContact O-CA 3.36Å; K204-L230 PolarHBondContact N-O 2.8Å; K204-L230 PolarHBondContact O-N 3.11Å
205	L	98.6	Very high	97.5	Very high	78 Å²	78	65.2 Å²	65.2	41%	0.408	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	122.1	166.9	-175.9	69.7	0	0	0	109	Q207 N227	L205-Q207 WeakPolarHBondContact CD1-O 3.38Å; L205-N227 HydrophobicContact CD1-CB 3.9Å
206	L	98.3	Very high	97.4	Very high	47 Å²	47	61.9 Å²	61.9	25%	0.246	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	-40.9	176.1	-66	-168.5	0	0	0	111.7	N41 A44 L170 K204 V228 L230	N41-L206 HydrophobicContact CB-CD1 4.08Å; N41-L206 WeakPolarHBondContact OD1-CB 3.35Å; N41-L206 WeakPolarHBondContact OD1-CD1 3.43Å; A44-L206 HydrophobicContact CB-CD1 4.05Å; L170-L206 HydrophobicContact CD1-CD1 3.95Å; K204-L206 HydrophobicContact CD-CD2 3.86Å; K204-L206 HydrophobicContact CG-CD2 4.1Å; K204-L206 PolarHBondContact O-N 3.03Å; L206-V228 PolarHBondContact N-O 3.26Å; L206-L230 HydrophobicContact CD1-CB 3.64Å; L206-L230 HydrophobicContact CD1-CD2 4.31Å; L206-L230 HydrophobicContact CD2-CB 4.03Å; L206-L230 HydrophobicContact CD2-CD2 4.44Å; L206-L230 HydrophobicContact CG-CB 3.71Å
207	Q	96.8	Very high	97.3	Very high	41 Å²	41	67.1 Å²	67.1	19%	0.192	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	146.7	-171.7	-169.2	165.9	-7.3	0	0	110.9	M37 M40 N41 L205 V209 N227 V228	M37-Q207 HydrophobicContact CE-CG 4.06Å; M37-Q207 HydrophobicContact SD-CB 4.33Å; M37-Q207 HydrophobicContact SD-CG 3.85Å; M40-Q207 PolarHBondContact SD-NE2 2.79Å; N41-Q207 PolarHBondContact ND2-OE1 2.92Å; L205-Q207 WeakPolarHBondContact CD1-O 3.38Å; Q207-V209 HydrophobicContact CG-CG1 3.96Å; Q207-N227 WeakPolarHBondContact O-CA 3.47Å; Q207-V228 HydrophobicContact CB-CB 4.31Å; Q207-V228 PolarHBondContact N-O 2.97Å; Q207-V228 PolarHBondContact O-N 3.37Å
208	S	98.2	Very high	97.1	Very high	66 Å²	66	71.3 Å²	71.3	46%	0.462	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	122.9	175.6	-174.9	0	0	0	0	107.7	T225 E226 N227	S208-T225 WeakPolarHBondContact OG-CG2 3.48Å; S208-E226 WeakPolarHBondContact CA-O 3.31Å; S208-N227 VanDerWaalsContact CB-OD1 3.23Å; S208-N227 WeakPolarHBondContact CB-OD1 3.38Å; S208-N227 PolarHBondContact OG-OD1 2.87Å
209	V	97.9	Very high	96.9	Very high	49 Å²	49	73.6 Å²	73.6	30%	0.297	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	150.5	-177	-56.8	0	0	0	0	111.3	M37 Q207 A211 T225 E226	M37-V209 HydrophobicContact CE-CB 4.21Å; M37-V209 HydrophobicContact CE-CG1 3.97Å; M37-V209 HydrophobicContact CE-CG2 3.31Å; Q207-V209 HydrophobicContact CG-CG1 3.96Å; V209-A211 PolarHBondContact O-N 3.46Å; V209-T225 CarbonylContact O-C 3.59Å; V209-T225 VanDerWaalsContact O-CA 3.3Å; V209-T225 WeakPolarHBondContact O-CA 3.42Å; V209-T225 WeakPolarHBondContact O-CG2 3.4Å; V209-E226 HydrophobicContact CG2-CB 4.07Å; V209-E226 PolarHBondContact N-O 2.86Å; V209-E226 PolarHBondContact O-N 3.26Å
210	D	98	Very high	96.9	Very high	128 Å²	128	71.2 Å²	71.2	68%	0.684	37%	0.374	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.4	119.1	164.6	-176.1	0.5	0	0	0	109	L212	D210-L212 VanDerWaalsContact OD1-CB 3.3Å; D210-L212 WeakPolarHBondContact OD1-CB 3.34Å; D210-L212 PolarHBondContact OD1-N 3.14Å
211	A	96.9	Very high	96.8	Very high	21 Å²	21	64.5 Å²	64.5	17%	0.174	35%	0.349	C	S	.	.			trans	-114.3	10.4	-178.7	0	0	0	0	0	111.9	V209 T213 L224 E226	V209-A211 PolarHBondContact O-N 3.46Å; A211-T213 PolarHBondContact O-N 3.45Å; A211-L224 HydrophobicContact CB-CD2 3.88Å; A211-L224 HydrophobicContact CB-CG 4.23Å; A211-L224 PolarHBondContact N-O 3.2Å; A211-L224 WeakPolarHBondContact O-CD2 3.38Å; A211-E226 HydrophobicContact CB-CB 3.66Å
212	L	97.2	Very high	96.8	Very high	26 Å²	26	69.9 Å²	69.9	14%	0.136	38%	0.378	C	S	.	.			trans	-71.6	112.1	-179.5	-173.6	75.5	0	0	0	111.1	D210 Q216 R217 L221 D222 L224	D210-L212 VanDerWaalsContact OD1-CB 3.3Å; D210-L212 WeakPolarHBondContact OD1-CB 3.34Å; D210-L212 PolarHBondContact OD1-N 3.14Å; L212-Q216 HydrophobicContact CD1-CB 3.95Å; L212-R217 HydrophobicContact CD1-CG 4.17Å; L212-R217 HydrophobicContact CD2-CG 4.27Å; L212-R217 HydrophobicContact CG-CG 4.2Å; L212-L221 HydrophobicContact CD1-CB 4.16Å; L212-D222 VanDerWaalsContact CD2-O 3.26Å; L212-D222 WeakPolarHBondContact CD2-O 3.27Å; L212-L224 HydrophobicContact CB-CB 4.15Å; L212-L224 HydrophobicContact CD1-CB 4.12Å; L212-L224 PolarHBondContact N-O 3.44Å
213	T	95.4	Very high	96.7	Very high	71 Å²	71	68.1 Å²	68.1	44%	0.436	38%	0.376	S	S	.	.			trans	-111.9	173.4	169.8	76.3	0	0	0	0	111.1	A211 R215 Q216 R217	A211-T213 PolarHBondContact O-N 3.45Å; T213-R215 PolarHBondContact O-N 2.95Å; T213-R215 VanDerWaalsContact O-N 3.07Å; T213-R215 WeakPolarHBondContact OG1-CB 3.26Å; T213-R215 PolarHBondContact OG1-N 3.02Å; T213-Q216 PolarHBondContact O-N 2.66Å; T213-Q216 PolarHBondContact OG1-OE1 3.21Å; T213-R217 PolarHBondContact O-N 3.06Å
214	D	95.7	Very high	96.7	Very high	122 Å²	122	67 Å²	67	65%	0.652	37%	0.369	S	S	*	.	H	α-helix	trans	-55.5	-27.4	174	-68.6	-26	0	0	0	112.8	R217 A218	D214-R217 PolarHBondContact O-N 3.4Å; D214-R217 IonicContact OD1-CZ 3.26Å; D214-R217 IonicContact OD1-NH1 2.64Å; D214-R217 PolarHBondContact OD1-NH1 3.31Å; D214-A218 PolarHBondContact O-N 2.94Å
215	R	92.4	Very high	96.7	Very high	103 Å²	103	62.8 Å²	62.8	39%	0.389	36%	0.355	S	S	.	.	H	α-helix	trans	-65.2	-44.4	175.4	-179.4	178	165.1	-161.5	-10.7	112.7	G28 T213 A218 W219	G28-R215 VanDerWaalsContact C-CZ 3.43Å; G28-R215 VanDerWaalsContact CA-NH2 3.31Å; G28-R215 PolarHBondContact O-NH1 3.07Å; G28-R215 PolarHBondContact O-NH2 3.28Å; T213-R215 PolarHBondContact O-N 2.95Å; T213-R215 VanDerWaalsContact O-N 3.07Å; T213-R215 WeakPolarHBondContact OG1-CB 3.26Å; T213-R215 PolarHBondContact OG1-N 3.02Å; R215-A218 WeakPolarHBondContact O-CB 3.44Å; R215-A218 PolarHBondContact O-N 3.22Å; R215-W219 PolarHBondContact O-NE1 3.4Å
216	Q	95.3	Very high	96.7	Very high	24 Å²	24	60.1 Å²	60.1	11%	0.112	34%	0.34	C	S	.	.	H	α-helix	trans	-76.9	-28.2	177.8	-74.1	92.8	-0.6	0	0	112.1	L212 T213 A218 W219 L221 L224	L212-Q216 HydrophobicContact CD1-CB 3.95Å; T213-Q216 PolarHBondContact O-N 2.66Å; T213-Q216 PolarHBondContact OG1-OE1 3.21Å; Q216-A218 PolarHBondContact O-N 2.6Å; Q216-W219 HydrophobicContact CB-CE3 4.26Å; Q216-W219 HydrophobicContact CG-CD2 4.1Å; Q216-W219 HydrophobicContact CG-CE3 3.65Å; Q216-W219 HydrophobicContact CG-CH2 3.89Å; Q216-W219 HydrophobicContact CG-CZ2 4.3Å; Q216-W219 HydrophobicContact CG-CZ3 3.54Å; Q216-W219 WeakPolarHBondContact O-CA 3.28Å; Q216-W219 VanDerWaalsContact O-CB 3.28Å; Q216-W219 WeakPolarHBondContact O-CB 3.48Å; Q216-W219 PolarHBondContact O-N 2.67Å; Q216-L221 HydrophobicContact CB-CD1 4.21Å; Q216-L221 WeakPolarHBondContact O-CB 3.31Å; Q216-L221 PolarHBondContact O-N 2.72Å; Q216-L224 HydrophobicContact CB-CD2 4.22Å; Q216-L224 HydrophobicContact CG-CD2 3.6Å
217	R	96.3	Very high	96.7	Very high	129 Å²	129	58 Å²	58	49%	0.487	33%	0.329	S	S	.	.	H	α-helix	trans	-58.7	-37.9	165.9	-65.9	-178	-175.4	109.9	10	111.9	L212 T213 D214 W219 G220	L212-R217 HydrophobicContact CD1-CG 4.17Å; L212-R217 HydrophobicContact CD2-CG 4.27Å; L212-R217 HydrophobicContact CG-CG 4.2Å; T213-R217 PolarHBondContact O-N 3.06Å; D214-R217 PolarHBondContact O-N 3.4Å; D214-R217 IonicContact OD1-CZ 3.26Å; D214-R217 IonicContact OD1-NH1 2.64Å; D214-R217 PolarHBondContact OD1-NH1 3.31Å; R217-W219 PolarHBondContact O-N 3.01Å; R217-G220 WeakPolarHBondContact O-CA 3.39Å; R217-G220 PolarHBondContact O-N 3.28Å
218	A	95.2	Very high	96.8	Very high	87 Å²	87	56.1 Å²	56.1	72%	0.719	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-14.9	174.3	0	0	0	0	0	113.9	D214 R215 Q216 G220	D214-A218 PolarHBondContact O-N 2.94Å; R215-A218 WeakPolarHBondContact O-CB 3.44Å; R215-A218 PolarHBondContact O-N 3.22Å; Q216-A218 PolarHBondContact O-N 2.6Å; A218-G220 VanDerWaalsContact C-N 3.29Å
219	W	93.5	Very high	96.8	Very high	61 Å²	61	53.1 Å²	53.1	23%	0.231	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-7.4	169.6	-57.2	-9.6	0	0	0	112.9	Y181 P185 R215 Q216 R217 L221	Y181-W219 HydrophobicContact CD1-CE3 4.21Å; Y181-W219 HydrophobicContact CD2-CB 3.7Å; Y181-W219 HydrophobicContact CD2-CG 4.22Å; Y181-W219 HydrophobicContact CE1-CD2 4.43Å; Y181-W219 AromaticContact CE1-CE3 3.87Å; Y181-W219 HydrophobicContact CE1-CE3 3.87Å; Y181-W219 HydrophobicContact CE1-CZ3 4.17Å; Y181-W219 HydrophobicContact CE2-CB 3.83Å; Y181-W219 HydrophobicContact CE2-CD2 4.01Å; Y181-W219 HydrophobicContact CE2-CE3 4.21Å; Y181-W219 AromaticContact CE2-CG 3.85Å; Y181-W219 HydrophobicContact CE2-CG 3.85Å; Y181-W219 HydrophobicContact CG-CB 4.38Å; Y181-W219 AromaticContact CZ-CD2 3.94Å; Y181-W219 AromaticContact CZ-CE3 3.85Å; P185-W219 HydrophobicContact CG-CH2 4.24Å; P185-W219 HydrophobicContact CG-CZ3 4.08Å; R215-W219 PolarHBondContact O-NE1 3.4Å; Q216-W219 HydrophobicContact CB-CE3 4.26Å; Q216-W219 HydrophobicContact CG-CD2 4.1Å; Q216-W219 HydrophobicContact CG-CE3 3.65Å; Q216-W219 HydrophobicContact CG-CH2 3.89Å; Q216-W219 HydrophobicContact CG-CZ2 4.3Å; Q216-W219 HydrophobicContact CG-CZ3 3.54Å; Q216-W219 WeakPolarHBondContact O-CA 3.28Å; Q216-W219 VanDerWaalsContact O-CB 3.28Å; Q216-W219 WeakPolarHBondContact O-CB 3.48Å; Q216-W219 PolarHBondContact O-N 2.67Å; R217-W219 PolarHBondContact O-N 3.01Å; W219-L221 HydrophobicContact CB-CG 4.36Å; W219-L221 HydrophobicContact CE3-CD1 3.98Å
220	G	96.9	Very high	96.9	Very high	44 Å²	44	51.4 Å²	51.4	45%	0.454	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	92.5	8.3	-173.4	0	0	0	0	0	114	R217 A218	R217-G220 WeakPolarHBondContact O-CA 3.39Å; R217-G220 PolarHBondContact O-N 3.28Å; A218-G220 VanDerWaalsContact C-N 3.29Å
221	L	97.1	Very high	96.9	Very high	7 Å²	7	45.3 Å²	45.3	4%	0.037	26%	0.255	C	S	.	.			trans	-80.3	138.5	179.3	-60.5	-176.6	0	0	0	111.8	Y176 L180 L212 Q216 W219 L224	Y176-L221 HydrophobicContact CD2-CD1 4.24Å; Y176-L221 HydrophobicContact CD2-CD2 3.65Å; Y176-L221 HydrophobicContact CE2-CD2 4.48Å; Y176-L221 HydrophobicContact CG-CD1 4.02Å; Y176-L221 HydrophobicContact CG-CD2 4.12Å; L180-L221 HydrophobicContact CB-CD2 3.96Å; L212-L221 HydrophobicContact CD1-CB 4.16Å; Q216-L221 HydrophobicContact CB-CD1 4.21Å; Q216-L221 WeakPolarHBondContact O-CB 3.31Å; Q216-L221 PolarHBondContact O-N 2.72Å; W219-L221 HydrophobicContact CB-CG 4.36Å; W219-L221 HydrophobicContact CE3-CD1 3.98Å; L221-L224 HydrophobicContact CD1-CD1 4.12Å
222	D	96.8	Very high	97	Very high	115 Å²	115	46.3 Å²	46.3	62%	0.615	26%	0.259	S	S	*	.	S	Bend	trans	-98.8	-22	173.6	56.7	-7.4	0	0	0	112.8	L212	L212-D222 VanDerWaalsContact CD2-O 3.26Å; L212-D222 WeakPolarHBondContact CD2-O 3.27Å
223	A	97.6	Very high	97	Very high	50 Å²	50	47.2 Å²	47.2	41%	0.413	26%	0.264	S	S	.	.			trans	-145.4	148.8	173.5	0	0	0	0	0	110.9
224	L	98.3	Very high	97.1	Very high	3 Å²	3	48.2 Å²	48.2	2%	0.016	26%	0.262	C	S	.	.			trans	-147.9	124	169.9	-177.6	75.9	0	0	0	108.7	L174 L175 Y176 A211 L212 Q216 L221	L174-L224 HydrophobicContact CB-CD1 4.1Å; L174-L224 HydrophobicContact CD2-CD1 4.3Å; L174-L224 HydrophobicContact CD2-CD2 4.46Å; L174-L224 HydrophobicContact CD2-CG 4.45Å; L175-L224 CarbonylContact O-C 3.54Å; L175-L224 WeakPolarHBondContact O-CA 3.22Å; Y176-L224 HydrophobicContact CD1-CD1 3.89Å; Y176-L224 HydrophobicContact CG-CD1 4.28Å; A211-L224 HydrophobicContact CB-CD2 3.88Å; A211-L224 HydrophobicContact CB-CG 4.23Å; A211-L224 PolarHBondContact N-O 3.2Å; A211-L224 WeakPolarHBondContact O-CD2 3.38Å; L212-L224 HydrophobicContact CB-CB 4.15Å; L212-L224 HydrophobicContact CD1-CB 4.12Å; L212-L224 PolarHBondContact N-O 3.44Å; Q216-L224 HydrophobicContact CB-CD2 4.22Å; Q216-L224 HydrophobicContact CG-CD2 3.6Å; L221-L224 HydrophobicContact CD1-CD1 4.12Å
225	T	98.6	Very high	96.6	Very high	47 Å²	47	46.6 Å²	46.6	29%	0.288	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	130.4	172.4	-57.1	0	0	0	0	109.2	L174 L175 S208 V209 N227	L174-T225 WeakPolarHBondContact CA-O 3.45Å; L175-T225 PolarHBondContact N-O 3.46Å; L175-T225 PolarHBondContact O-N 3.14Å; S208-T225 WeakPolarHBondContact OG-CG2 3.48Å; V209-T225 CarbonylContact O-C 3.59Å; V209-T225 VanDerWaalsContact O-CA 3.3Å; V209-T225 WeakPolarHBondContact O-CA 3.42Å; V209-T225 WeakPolarHBondContact O-CG2 3.4Å; T225-N227 WeakPolarHBondContact CG2-OD1 3.38Å
226	E	98.5	Very high	95.7	Very high	22 Å²	22	46.7 Å²	46.7	10%	0.103	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	122	171.8	-175.6	176	-113.6	0	0	109.2	H35 M37 D172 L174 S208 V209 A211	H35-E226 IonicContact CE1-OE1 3.84Å; H35-E226 PolarHBondContact CE1-OE1 3.45Å; H35-E226 IonicContact CE1-OE2 3.14Å; H35-E226 IonicContact NE2-OE1 3.57Å; H35-E226 PolarHBondContact NE2-OE1 2.9Å; M37-E226 HydrophobicContact CE-CB 4.11Å; M37-E226 HydrophobicContact CE-CG 3.83Å; M37-E226 WeakPolarHBondContact CE-OE2 3.41Å; M37-E226 WeakPolarHBondContact CG-OE2 3.45Å; D172-E226 WeakPolarHBondContact OD2-CG 2.86Å; L174-E226 HydrophobicContact CD2-CB 3.88Å; L174-E226 HydrophobicContact CD2-CG 3.97Å; S208-E226 WeakPolarHBondContact CA-O 3.31Å; V209-E226 HydrophobicContact CG2-CB 4.07Å; V209-E226 PolarHBondContact N-O 2.86Å; V209-E226 PolarHBondContact O-N 3.26Å; A211-E226 HydrophobicContact CB-CB 3.66Å
227	N	98.6	Very high	93.6	Very high	3 Å²	3	56.8 Å²	56.8	2%	0.016	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	137.9	-179.2	-82	1.6	0	0	0	110.1	D172 T173 L175 D190 L205 Q207 S208 T225	D172-N227 CarbonylContact C-O 3.55Å; D172-N227 WeakPolarHBondContact CA-O 3.25Å; T173-N227 PolarHBondContact N-O 2.93Å; T173-N227 PolarHBondContact O-N 3.19Å; L175-N227 WeakPolarHBondContact CD1-ND2 3.34Å; D190-N227 PolarHBondContact OD1-ND2 3.21Å; L205-N227 HydrophobicContact CD1-CB 3.9Å; Q207-N227 WeakPolarHBondContact O-CA 3.47Å; S208-N227 VanDerWaalsContact CB-OD1 3.23Å; S208-N227 WeakPolarHBondContact CB-OD1 3.38Å; S208-N227 PolarHBondContact OG-OD1 2.87Å; T225-N227 WeakPolarHBondContact CG2-OD1 3.38Å
228	V	98.6	Very high	93.4	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	121.7	175	177.7	0	0	0	0	109.4	M37 L170 L171 L206 Q207	M37-V228 HydrophobicContact CB-CG2 3.56Å; M37-V228 HydrophobicContact CE-CG2 3.77Å; M37-V228 HydrophobicContact CG-CG2 3.53Å; M37-V228 HydrophobicContact SD-CG2 3.66Å; L170-V228 HydrophobicContact CD1-CG1 3.39Å; L170-V228 HydrophobicContact CD2-CG1 4.28Å; L170-V228 HydrophobicContact CG-CG1 3.72Å; L171-V228 CarbonylContact O-C 3.52Å; L171-V228 WeakPolarHBondContact O-CA 3.45Å; L206-V228 PolarHBondContact N-O 3.26Å; Q207-V228 HydrophobicContact CB-CB 4.31Å; Q207-V228 PolarHBondContact N-O 2.97Å; Q207-V228 PolarHBondContact O-N 3.37Å
229	H	98.8	Very high	93.3	Very high	4 Å²	4	51.4 Å²	51.4	2%	0.019	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	139.4	177.9	-61.7	85.6	0	0	0	110.4	L170 L171 D190 V203 K204 L231	L170-H229 WeakPolarHBondContact CA-O 3.47Å; L171-H229 HydrophobicContact CB-CB 4.45Å; L171-H229 PolarHBondContact N-O 3.31Å; L171-H229 PolarHBondContact O-N 2.99Å; D190-H229 IonicContact OD1-CE1 3.8Å; D190-H229 PolarHBondContact OD1-CE1 3.47Å; D190-H229 VanDerWaalsContact OD1-CE1 3.26Å; D190-H229 IonicContact OD1-NE2 2.75Å; D190-H229 PolarHBondContact OD1-NE2 2.99Å; D190-H229 IonicContact OD2-NE2 3.79Å; V203-H229 HydrophobicContact CG1-CB 4.4Å; K204-H229 CarbonylContact O-C 3.59Å; K204-H229 WeakPolarHBondContact O-CA 3.36Å; H229-L231 HydrophobicContact CB-CD1 3.67Å
230	L	98.8	Very high	93.3	Very high	13 Å²	13	50.9 Å²	50.9	7%	0.068	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	123.5	164.7	177.4	65.3	0	0	0	109.2	R168 Y169 K204 L206	R168-L230 HydrophobicContact CB-CD1 3.94Å; R168-L230 HydrophobicContact CG-CD1 4.36Å; Y169-L230 CarbonylContact O-C 3.59Å; Y169-L230 WeakPolarHBondContact O-CA 3.4Å; K204-L230 PolarHBondContact N-O 2.8Å; K204-L230 PolarHBondContact O-N 3.11Å; L206-L230 HydrophobicContact CD1-CB 3.64Å; L206-L230 HydrophobicContact CD1-CD2 4.31Å; L206-L230 HydrophobicContact CD2-CB 4.03Å; L206-L230 HydrophobicContact CD2-CD2 4.44Å; L206-L230 HydrophobicContact CG-CB 3.71Å
231	L	98.8	Very high	93.1	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	132.2	177.6	-68.1	83.7	0	0	0	109.8	Y169 L171 V193 F197 C201 D202 V203 H229	Y169-L231 HydrophobicContact CD1-CB 3.71Å; Y169-L231 HydrophobicContact CD1-CD1 4.18Å; Y169-L231 HydrophobicContact CD1-CD2 3.83Å; Y169-L231 HydrophobicContact CD1-CG 4.12Å; Y169-L231 HydrophobicContact CE1-CD1 4.41Å; Y169-L231 HydrophobicContact CE1-CD2 3.94Å; Y169-L231 HydrophobicContact CG-CB 4.12Å; Y169-L231 PolarHBondContact N-O 3.2Å; Y169-L231 PolarHBondContact O-N 3.05Å; L171-L231 HydrophobicContact CB-CD1 3.8Å; L171-L231 HydrophobicContact CD2-CD1 4.19Å; V193-L231 HydrophobicContact CG1-CD2 4.41Å; F197-L231 HydrophobicContact CB-CD2 3.42Å; F197-L231 VanDerWaalsContact CB-CD2 3.42Å; F197-L231 HydrophobicContact CD1-CD2 4.12Å; F197-L231 HydrophobicContact CD2-CD2 3.75Å; F197-L231 HydrophobicContact CG-CD2 3.5Å; C201-L231 HydrophobicContact CB-CB 4.22Å; C201-L231 HydrophobicContact CB-CD2 4.32Å; D202-L231 VanDerWaalsContact O-CA 3.3Å; D202-L231 WeakPolarHBondContact O-CA 3.29Å; V203-L231 HydrophobicContact CB-CG 4.46Å; V203-L231 HydrophobicContact CG1-CG 4.3Å; V203-L231 HydrophobicContact CG2-CD2 3.96Å; V203-L231 HydrophobicContact CG2-CG 4.04Å; H229-L231 HydrophobicContact CB-CD1 3.67Å
232	T	98.6	Very high	92.9	Very high	42 Å²	42	54.1 Å²	54.1	26%	0.258	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	140.1	174.9	50.7	0	0	0	0	109.9	R168 C201 D202 K234	R168-T232 HydrophobicContact CG-CG2 4.04Å; C201-T232 CarbonylContact C-O 3.57Å; C201-T232 WeakPolarHBondContact CA-O 3.03Å; C201-T232 WeakPolarHBondContact CB-O 3.08Å; D202-T232 PolarHBondContact N-O 2.77Å; D202-T232 PolarHBondContact O-N 3.46Å; D202-T232 VanDerWaalsContact O-N 3.09Å; T232-K234 PolarHBondContact O-N 3.44Å
233	L	98.3	Very high	92.6	Very high	44 Å²	44	50 Å²	50	23%	0.23	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.6	135.7	177.5	-69.6	174.2	0	0	0	110.7	V160 M163 A164	V160-L233 HydrophobicContact CG1-CD2 4.11Å; M163-L233 HydrophobicContact CB-CD1 3.91Å; M163-L233 HydrophobicContact CB-CD2 4.33Å; M163-L233 HydrophobicContact CB-CG 4.18Å; M163-L233 HydrophobicContact CE-CD2 4.29Å; M163-L233 HydrophobicContact CE-CG 4Å; M163-L233 HydrophobicContact SD-CD2 3.99Å; M163-L233 HydrophobicContact SD-CG 4.28Å; A164-L233 WeakPolarHBondContact O-CD1 3.35Å
234	K	96.9	Very high	92.2	Very high	92 Å²	92	50 Å²	50	40%	0.4	30%	0.304	S	S	.	.	P	Polyproline II helix	trans	-67.9	146.4	168.5	-72.3	176.6	171.5	172.5	0	109.3	G198 R200 C201 D202 T232 A236	G198-K234 PolarHBondContact O-NZ 3.34Å; R200-K234 PolarHBondContact O-N 2.71Å; C201-K234 VanDerWaalsContact O-CE 3.32Å; C201-K234 WeakPolarHBondContact O-CE 3.3Å; D202-K234 WeakPolarHBondContact OD1-CE 3.41Å; T232-K234 PolarHBondContact O-N 3.44Å; K234-A236 PolarHBondContact O-N 2.64Å
235	A	85.5	Confident	91.8	Very high	89 Å²	89	53.6 Å²	53.6	74%	0.736	33%	0.326	S	S	*	.	P	Polyproline II helix	trans	-55.4	138.1	171	0	0	0	0	0	109.6	N237	A235-N237 PolarHBondContact O-N 2.76Å
236	A	72.9	Confident	91.2	Very high	104 Å²	104	54.2 Å²	54.2	86%	0.86	33%	0.33	S	S	*	.	P	Polyproline II helix	trans	-64.2	120.3	170.3	0	0	0	0	0	108	K234	K234-A236 PolarHBondContact O-N 2.64Å
237	N	50.3	Low	90.5	Very high	237 Å²	237	57.1 Å²	57.1	100%	1.267	35%	0.35	S	S	*	.			trans	-67.6	0	170	-73.3	-23.3	0	0	0	111	A235	A235-N237 PolarHBondContact O-N 2.76Å

Retrieved 237 of 237 residues in 520.5 ms (Link to these results)

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