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pyridoxal 5'-phosphate synthase

Catalyzes the oxidation of either pyridoxine 5'-phosphate (PNP) or pyridoxamine 5'-phosphate (PMP) into pyridoxal 5'-phosphate (PLP).

AlphaFold DB (G4M1K6), UniProt , Accession A0A7S9YY69, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene PNPO, Length 246 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	45.8	Very low	51.1	Low	221 Å²	221	155.2 Å²	155.2	100%	1.089	82%	0.819	S	S	*	*				0	92.5	0	-169.5	-175.4	-86.5	0	0	107.5	R3	M1-R3 PolarHBondContact O-N 3.34Å
2	L	41.1	Very low	52.6	Low	174 Å²	174	155.4 Å²	155.4	91%	0.911	82%	0.816	S	S	*	*			trans	-71.1	116	177	-84	99.2	0	0	0	108.7	T4	L2-T4 PolarHBondContact O-N 3.15Å
3	R	43.5	Very low	54.6	Low	220 Å²	220	153.2 Å²	153.2	83%	0.83	81%	0.805	S	S	*	*			trans	-89.6	98.6	169.4	-75.2	-171.5	175.9	-149.8	0.2	108.4	M1 L5	M1-R3 PolarHBondContact O-N 3.34Å; R3-L5 PolarHBondContact O-N 3.48Å; R3-L5 VanDerWaalsContact O-N 3.15Å
4	T	50.8	Low	56.9	Low	105 Å²	105	152.8 Å²	152.8	64%	0.644	80%	0.804	S	S	*	*			trans	-66.2	105.7	165.5	-50.4	0	0	0	0	108	L2 Y6	L2-T4 PolarHBondContact O-N 3.15Å; T4-Y6 HydrophobicContact CG2-CD2 4.42Å; T4-Y6 HydrophobicContact CG2-CE2 4.2Å; T4-Y6 PolarHBondContact O-N 2.97Å; T4-Y6 VanDerWaalsContact O-N 3.12Å
5	L	47.9	Very low	59	Low	165 Å²	165	152.5 Å²	152.5	86%	0.864	80%	0.797	S	S	*	*			trans	-70.5	98.7	169.1	-84.6	131	0	0	0	108.1	R3 C7	R3-L5 PolarHBondContact O-N 3.48Å; R3-L5 VanDerWaalsContact O-N 3.15Å; L5-C7 VanDerWaalsContact C-N 3.28Å; L5-C7 PolarHBondContact O-N 3.12Å
6	Y	47.2	Very low	61.1	Low	211 Å²	211	151.7 Å²	151.7	83%	0.827	79%	0.793	S	S	*	*			trans	-67.7	93.7	161.7	-76.6	-88.4	0	0	0	107.6	T4 S8	T4-Y6 HydrophobicContact CG2-CD2 4.42Å; T4-Y6 HydrophobicContact CG2-CE2 4.2Å; T4-Y6 PolarHBondContact O-N 2.97Å; T4-Y6 VanDerWaalsContact O-N 3.12Å; Y6-S8 VanDerWaalsContact C-N 3.32Å; Y6-S8 PolarHBondContact O-N 3.05Å
7	C	55.1	Low	62.8	Low	116 Å²	116	152.2 Å²	152.2	78%	0.784	79%	0.787	S	S	*	*			trans	-70.1	96.1	164.6	-161.2	0	0	0	0	106.5	L5 L9	L5-C7 VanDerWaalsContact C-N 3.28Å; L5-C7 PolarHBondContact O-N 3.12Å; C7-L9 PolarHBondContact O-N 3.04Å
8	S	51.1	Low	64.5	Low	107 Å²	107	148.8 Å²	148.8	75%	0.748	77%	0.769	S	S	*	*			trans	-64.9	108.5	168.9	53.7	0	0	0	0	107	Y6 S10	Y6-S8 VanDerWaalsContact C-N 3.32Å; Y6-S8 PolarHBondContact O-N 3.05Å; S8-S10 PolarHBondContact O-N 3.06Å
9	L	54.2	Low	66	Low	163 Å²	163	145.2 Å²	145.2	85%	0.853	76%	0.758	S	S	*	*			trans	-63.5	85.6	163	-73.6	160.5	0	0	0	106.5	C7 T11	C7-L9 PolarHBondContact O-N 3.04Å; L9-T11 PolarHBondContact O-N 2.76Å
10	S	62.7	Low	67.3	Low	95 Å²	95	144.5 Å²	144.5	66%	0.664	75%	0.75	S	S	*	*			trans	-47.1	115.2	152.9	166.7	0	0	0	0	105.6	S8 M12	S8-S10 PolarHBondContact O-N 3.06Å; S10-M12 VanDerWaalsContact C-N 3.28Å; S10-M12 PolarHBondContact O-N 3.07Å
11	T	62.7	Low	68.5	Low	130 Å²	130	142.5 Å²	142.5	80%	0.798	74%	0.741	S	S	*	*			trans	-58.3	97.5	174.5	45.9	0	0	0	0	106.9	L9 N13	L9-T11 PolarHBondContact O-N 2.76Å; T11-N13 PolarHBondContact O-N 3.49Å
12	M	69.5	Low	70.6	Confident	158 Å²	158	140.7 Å²	140.7	78%	0.778	72%	0.722	S	S	*	*			trans	-57.8	109.7	171	-76	-160.1	-126.8	0	0	106.3	S10 N14	S10-M12 VanDerWaalsContact C-N 3.28Å; S10-M12 PolarHBondContact O-N 3.07Å; M12-N14 VanDerWaalsContact C-N 3.25Å; M12-N14 PolarHBondContact O-N 2.78Å
13	N	78.1	Confident	72.9	Confident	126 Å²	126	136 Å²	136	67%	0.674	70%	0.7	S	S	*	*			trans	-70.4	91.2	174.7	-173.2	5.7	0	0	0	107.4	T11 Q15	T11-N13 PolarHBondContact O-N 3.49Å; N13-Q15 PolarHBondContact O-N 3.42Å; N13-Q15 VanDerWaalsContact O-N 3.12Å; N13-Q15 WeakPolarHBondContact OD1-CB 3.24Å; N13-Q15 PolarHBondContact OD1-N 3.47Å
14	N	86.6	Confident	75.1	Confident	148 Å²	148	129.7 Å²	129.7	79%	0.791	69%	0.688	S	S	*	*			trans	-70.9	3.5	177	-69	-24.6	0	0	0	112.4	M12 L16	M12-N14 VanDerWaalsContact C-N 3.25Å; M12-N14 PolarHBondContact O-N 2.78Å; N14-L16 PolarHBondContact O-N 2.92Å
15	Q	89.4	Confident	77.2	Confident	149 Å²	149	127.3 Å²	127.3	70%	0.696	67%	0.667	S	S	*	*			trans	-78.5	116.6	-175.3	-166.8	178.3	13.6	0	0	111.8	N13	N13-Q15 PolarHBondContact O-N 3.42Å; N13-Q15 VanDerWaalsContact O-N 3.12Å; N13-Q15 WeakPolarHBondContact OD1-CB 3.24Å; N13-Q15 PolarHBondContact OD1-N 3.47Å
16	L	91.4	Very high	79.4	Confident	139 Å²	139	121.6 Å²	121.6	73%	0.728	63%	0.634	S	S	*	*			trans	-104.8	112.5	169.8	179	64.4	0	0	0	109.9	N14 I18	N14-L16 PolarHBondContact O-N 2.92Å; L16-I18 HydrophobicContact CD1-CG2 3.9Å; L16-I18 HydrophobicContact CD2-CG2 4.23Å; L16-I18 HydrophobicContact CG-CG2 3.8Å
17	K	91.2	Very high	81.3	Confident	161 Å²	161	118.9 Å²	118.9	70%	0.7	63%	0.627	S	S	*	*			trans	-102.7	97.7	-179.7	-170.4	177.5	-177.2	179	0	111.8	H20	K17-H20 PolarHBondContact O-CE1 3.31Å
18	I	93.3	Very high	82.8	Confident	90 Å²	90	117.8 Å²	117.8	46%	0.462	62%	0.62	S	S	.	*			trans	-114.5	16.1	-174.9	55.3	165.5	0	0	0	114.5	L16 H20 L21	L16-I18 HydrophobicContact CD1-CG2 3.9Å; L16-I18 HydrophobicContact CD2-CG2 4.23Å; L16-I18 HydrophobicContact CG-CG2 3.8Å; I18-H20 PolarHBondContact O-N 3.47Å; I18-L21 HydrophobicContact CB-CD1 3.85Å; I18-L21 HydrophobicContact CB-CG 4.13Å; I18-L21 HydrophobicContact CD1-CD1 4.42Å; I18-L21 HydrophobicContact CG2-CD1 4.17Å; I18-L21 WeakPolarHBondContact O-CG 3.26Å; I18-L21 PolarHBondContact O-N 3.32Å
19	S	92.5	Very high	84.5	Confident	80 Å²	80	119.2 Å²	119.2	56%	0.559	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.6	-18.5	-177.9	60	0	0	0	0	114.6
20	H	92.1	Very high	86.3	Confident	131 Å²	131	114.3 Å²	114.3	61%	0.606	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.2	-13.7	178.8	61.8	-87	0	0	0	113.6	K17 I18 R22	K17-H20 PolarHBondContact O-CE1 3.31Å; I18-H20 PolarHBondContact O-N 3.47Å; H20-R22 PolarHBondContact O-N 2.97Å
21	L	92.1	Very high	87.8	Confident	104 Å²	104	114 Å²	114	55%	0.545	58%	0.584	S	S	.	*			trans	-64.8	121.2	177.9	-63.5	-177.4	0	0	0	110.2	I18	I18-L21 HydrophobicContact CB-CD1 3.85Å; I18-L21 HydrophobicContact CB-CG 4.13Å; I18-L21 HydrophobicContact CD1-CD1 4.42Å; I18-L21 HydrophobicContact CG2-CD1 4.17Å; I18-L21 WeakPolarHBondContact O-CG 3.26Å; I18-L21 PolarHBondContact O-N 3.32Å
22	R	90.3	Very high	89.3	Confident	183 Å²	183	108.7 Å²	108.7	69%	0.691	55%	0.55	S	S	*	.			trans	-144.8	137.9	-179.2	-65.2	-68.6	179.3	-113.3	8	109	H20	H20-R22 PolarHBondContact O-N 2.97Å
23	V	89.2	Confident	90.5	Very high	75 Å²	75	103.2 Å²	103.2	46%	0.455	52%	0.524	S	S	.	.			trans	-125.1	138.6	174.2	-174.1	0	0	0	0	107.6	Y25 R210	V23-Y25 WeakPolarHBondContact O-CE2 3.24Å; V23-R210 PolarHBondContact O-NH2 2.87Å
24	P	90.7	Very high	91.2	Very high	88 Å²	88	98.3 Å²	98.3	57%	0.571	50%	0.497	S	S	*	.			trans	-67.8	152.6	169.1	29.2	-34.3	0	0	0	110.9	T208	P24-T208 HydrophobicContact CB-CG2 4.23Å
25	Y	93.6	Very high	91.3	Very high	54 Å²	54	97.6 Å²	97.6	21%	0.212	49%	0.492	C	S	.	.			trans	-113.5	-142.3	174.9	-61.1	-97.8	0	0	0	109.3	V23 K121 W204 G206 T208 R210	V23-Y25 WeakPolarHBondContact O-CE2 3.24Å; Y25-K121 HydrophobicContact CD1-CB 3.89Å; Y25-K121 HydrophobicContact CD1-CD 3.63Å; Y25-K121 HydrophobicContact CD1-CG 4.08Å; Y25-K121 HydrophobicContact CE1-CD 4.32Å; Y25-K121 HydrophobicContact CG-CD 4.27Å; Y25-W204 AromaticContact CD1-CH2 3.95Å; Y25-W204 HydrophobicContact CD1-CH2 3.95Å; Y25-W204 AromaticContact CE1-CH2 3.66Å; Y25-W204 HydrophobicContact CE1-CH2 3.66Å; Y25-W204 HydrophobicContact CE1-CZ3 4.43Å; Y25-G206 WeakPolarHBondContact CB-O 3.38Å; Y25-T208 VanDerWaalsContact C-OG1 3.31Å; Y25-T208 PolarHBondContact N-OG1 3.15Å; Y25-T208 PolarHBondContact O-OG1 3.13Å; Y25-R210 VanDerWaalsContact CE2-CZ 3.46Å; Y25-R210 PolarHBondContact OH-NH1 2.82Å
26	R	93.5	Very high	91.3	Very high	46 Å²	46	96 Å²	96	17%	0.174	49%	0.488	C	S	.	.	B	Isolated β-bridge	trans	-75	159.3	174.6	-66.4	167.5	177.8	-102.4	3.9	110.6	D30 L120 K121 Q205 G206 Q207 T208	R26-D30 HydrophobicContact CB-CB 4.34Å; R26-D30 WeakPolarHBondContact CD-OD2 3.48Å; R26-D30 WeakPolarHBondContact CG-OD2 3.44Å; R26-D30 IonicContact CZ-OD2 3.94Å; R26-D30 IonicContact NE-OD2 2.58Å; R26-D30 IonicContact NH1-OD1 3.66Å; R26-D30 IonicContact NH1-OD2 2.7Å; R26-D30 PolarHBondContact NH1-OD2 3.48Å; R26-L120 VanDerWaalsContact CZ-O 3.28Å; R26-L120 PolarHBondContact NE-O 2.98Å; R26-L120 PolarHBondContact NH2-O 2.97Å; R26-K121 HydrophobicContact CG-CB 4.27Å; R26-K121 HydrophobicContact CG-CG 4.49Å; R26-Q205 VanDerWaalsContact CD-CG 3.45Å; R26-G206 WeakPolarHBondContact CB-O 3.45Å; R26-G206 PolarHBondContact N-O 3.42Å; R26-Q207 PolarHBondContact O-OE1 3.48Å; R26-T208 WeakPolarHBondContact O-CB 3.35Å; R26-T208 PolarHBondContact O-N 3.25Å; R26-T208 PolarHBondContact O-OG1 3.32Å
27	K	88.8	Confident	91.5	Very high	154 Å²	154	90.5 Å²	90.5	67%	0.67	46%	0.46	S	S	*	.			trans	-86.2	159.5	-179.5	-67.1	-178.9	-176.9	178.5	0	109.3	N29 D30 Q207	K27-N29 VanDerWaalsContact CB-OD1 3.26Å; K27-N29 WeakPolarHBondContact CB-OD1 3.31Å; K27-N29 PolarHBondContact O-N 3.04Å; K27-D30 PolarHBondContact O-N 3.43Å; K27-Q207 PolarHBondContact O-OE1 3.44Å
28	S	84.9	Confident	91.6	Very high	93 Å²	93	89.7 Å²	89.7	65%	0.65	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-8.8	-177.3	57.6	0	0	0	0	115.4	I31	S28-I31 WeakPolarHBondContact O-CD1 3.3Å; S28-I31 WeakPolarHBondContact O-CG1 3.47Å
29	N	88.4	Confident	91.8	Very high	137 Å²	137	87.8 Å²	87.8	73%	0.733	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.7	-4.2	173.7	66.4	-28	0	0	0	113.4	K27	K27-N29 VanDerWaalsContact CB-OD1 3.26Å; K27-N29 WeakPolarHBondContact CB-OD1 3.31Å; K27-N29 PolarHBondContact O-N 3.04Å
30	D	91.9	Very high	92	Very high	60 Å²	60	88.5 Å²	88.5	32%	0.321	44%	0.438	S	S	.	.	S	Bend	trans	-112.8	67.4	177.1	-179.8	17.1	0	0	0	108.5	R26 K27 Q205 Q207	R26-D30 HydrophobicContact CB-CB 4.34Å; R26-D30 WeakPolarHBondContact CD-OD2 3.48Å; R26-D30 WeakPolarHBondContact CG-OD2 3.44Å; R26-D30 IonicContact CZ-OD2 3.94Å; R26-D30 IonicContact NE-OD2 2.58Å; R26-D30 IonicContact NH1-OD1 3.66Å; R26-D30 IonicContact NH1-OD2 2.7Å; R26-D30 PolarHBondContact NH1-OD2 3.48Å; K27-D30 PolarHBondContact O-N 3.43Å; D30-Q205 PolarHBondContact O-NE2 3.01Å; D30-Q207 PolarHBondContact O-NE2 3.21Å
31	I	92.9	Very high	92.2	Very high	88 Å²	88	82.7 Å²	82.7	45%	0.451	41%	0.412	S	S	.	.			trans	-90.4	129.1	-176.2	-56.1	178.7	0	0	0	109.2	S28 D33	S28-I31 WeakPolarHBondContact O-CD1 3.3Å; S28-I31 WeakPolarHBondContact O-CG1 3.47Å; I31-D33 HydrophobicContact CG2-CB 4.05Å
32	F	95.2	Very high	92.5	Very high	19 Å²	19	77.8 Å²	77.8	8%	0.083	39%	0.386	C	S	.	.			trans	-91	111.5	166	175	-117.6	0	0	0	108.8	L37 L45 W49 F203 Q205 D213 I215 R243	F32-L37 HydrophobicContact CD2-CD2 4.46Å; F32-L37 HydrophobicContact CE2-CD2 3.47Å; F32-L37 VanDerWaalsContact CE2-CD2 3.47Å; F32-L37 HydrophobicContact CZ-CD2 3.61Å; F32-L45 HydrophobicContact CZ-CD2 4.16Å; F32-W49 HydrophobicContact CD1-CH2 4.24Å; F32-W49 HydrophobicContact CD1-CZ2 4.08Å; F32-W49 AromaticContact CD2-CZ2 3.89Å; F32-W49 HydrophobicContact CD2-CZ2 3.89Å; F32-W49 HydrophobicContact CE1-CH2 4.1Å; F32-W49 AromaticContact CE1-CZ2 3.89Å; F32-W49 HydrophobicContact CE1-CZ2 3.89Å; F32-W49 AromaticContact CE2-CZ2 3.69Å; F32-W49 HydrophobicContact CE2-CZ2 3.69Å; F32-W49 HydrophobicContact CG-CZ2 4.07Å; F32-W49 HydrophobicContact CZ-CH2 4.31Å; F32-W49 AromaticContact CZ-CZ2 3.69Å; F32-W49 HydrophobicContact CZ-CZ2 3.69Å; F32-F203 HydrophobicContact CE1-CB 3.53Å; F32-F203 HydrophobicContact CZ-CB 3.74Å; F32-F203 HydrophobicContact CZ-CG 4.32Å; F32-Q205 HydrophobicContact CB-CB 3.94Å; F32-Q205 HydrophobicContact CB-CG 4.4Å; F32-Q205 HydrophobicContact CD1-CB 4.35Å; F32-Q205 HydrophobicContact CG-CB 4.44Å; F32-D213 HydrophobicContact CB-CB 3.81Å; F32-D213 HydrophobicContact CD1-CB 4.03Å; F32-D213 HydrophobicContact CG-CB 4.43Å; F32-D213 PolarHBondContact N-OD2 3.14Å; F32-D213 WeakPolarHBondContact O-CB 3.42Å; F32-I215 HydrophobicContact CD1-CD1 3.98Å; F32-I215 HydrophobicContact CD1-CG1 4.27Å; F32-I215 HydrophobicContact CE1-CB 3.9Å; F32-I215 HydrophobicContact CE1-CD1 3.6Å; F32-I215 HydrophobicContact CE1-CG1 3.81Å; F32-I215 HydrophobicContact CE2-CD1 4.31Å; F32-I215 HydrophobicContact CG-CD1 4.48Å; F32-I215 HydrophobicContact CZ-CB 4.32Å; F32-I215 HydrophobicContact CZ-CD1 3.78Å; F32-I215 HydrophobicContact CZ-CG1 4.37Å; F32-R243 PolarHBondContact O-NH1 3.25Å
33	D	94.1	Very high	92.9	Very high	43 Å²	43	70 Å²	70	23%	0.23	36%	0.358	C	S	.	.			trans	-137.4	157.9	-174.7	-157.5	9.8	0	0	0	112.7	I31 I35 N36 L37 R243	I31-D33 HydrophobicContact CG2-CB 4.05Å; D33-I35 HydrophobicContact CB-CG1 4.12Å; D33-I35 PolarHBondContact O-N 3Å; D33-N36 CarbonylContact O-C 3.6Å; D33-N36 PolarHBondContact O-N 3.31Å; D33-L37 PolarHBondContact O-N 2.83Å; D33-R243 IonicContact OD1-CZ 3.1Å; D33-R243 IonicContact OD1-NE 3.9Å; D33-R243 IonicContact OD1-NH1 3.59Å; D33-R243 PolarHBondContact OD1-NH1 3.45Å
34	I	92.6	Very high	93.3	Very high	23 Å²	23	70 Å²	70	12%	0.118	36%	0.355	C	S	.	.	G	3₁₀ helix	trans	-55.5	-39.2	-178	-83.3	179.3	0	0	0	112	N36 L37 I215 Y241 R243	I34-N36 PolarHBondContact O-N 3.24Å; I34-L37 HydrophobicContact CG1-CD1 4.39Å; I34-L37 PolarHBondContact O-N 2.86Å; I34-I215 HydrophobicContact CG1-CD1 3.82Å; I34-I215 HydrophobicContact CG1-CG1 4.14Å; I34-I215 HydrophobicContact CG1-CG2 4.31Å; I34-Y241 HydrophobicContact CB-CE2 4.4Å; I34-Y241 HydrophobicContact CD1-CD2 4.15Å; I34-Y241 HydrophobicContact CD1-CE2 4.33Å; I34-Y241 HydrophobicContact CG1-CD2 4.09Å; I34-Y241 HydrophobicContact CG1-CE2 4.09Å; I34-Y241 HydrophobicContact CG2-CE2 3.8Å; I34-R243 HydrophobicContact CD1-CB 3.59Å; I34-R243 VanDerWaalsContact CD1-N 3.3Å; I34-R243 HydrophobicContact CG1-CB 4.27Å
35	I	89.9	Confident	93.7	Very high	133 Å²	133	65.9 Å²	65.9	68%	0.682	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-65.5	-22.2	-179.2	58.5	166.1	0	0	0	113.1	D33	D33-I35 HydrophobicContact CB-CG1 4.12Å; D33-I35 PolarHBondContact O-N 3Å
36	N	89.4	Confident	93.9	Very high	115 Å²	115	63.3 Å²	63.3	62%	0.615	32%	0.318	S	S	*	.	G	3₁₀ helix	trans	-114.6	17.3	-173.8	-62.5	-34.7	0	0	0	112.5	D33 I34 K38	D33-N36 CarbonylContact O-C 3.6Å; D33-N36 PolarHBondContact O-N 3.31Å; I34-N36 PolarHBondContact O-N 3.24Å; N36-K38 PolarHBondContact O-N 3.25Å
37	L	94.8	Very high	94.1	Very high	24 Å²	24	66.4 Å²	66.4	13%	0.126	33%	0.333	C	S	.	.			trans	-65	121.5	176.9	-72.2	175.6	0	0	0	110.8	F32 D33 I34 H39 L45 I215 F217 Y241	F32-L37 HydrophobicContact CD2-CD2 4.46Å; F32-L37 HydrophobicContact CE2-CD2 3.47Å; F32-L37 VanDerWaalsContact CE2-CD2 3.47Å; F32-L37 HydrophobicContact CZ-CD2 3.61Å; D33-L37 PolarHBondContact O-N 2.83Å; I34-L37 HydrophobicContact CG1-CD1 4.39Å; I34-L37 PolarHBondContact O-N 2.86Å; L37-H39 PolarHBondContact O-N 3.38Å; L37-L45 HydrophobicContact CD2-CD2 3.89Å; L37-I215 HydrophobicContact CD1-CD1 4.36Å; L37-I215 HydrophobicContact CD1-CG2 4.28Å; L37-I215 HydrophobicContact CD2-CD1 3.73Å; L37-I215 HydrophobicContact CG-CD1 4.2Å; L37-F217 HydrophobicContact CD1-CZ 4.03Å; L37-Y241 HydrophobicContact CD1-CD2 3.74Å; L37-Y241 HydrophobicContact CD1-CE2 3.55Å
38	K	94.1	Very high	94.6	Very high	143 Å²	143	59.4 Å²	59.4	62%	0.622	30%	0.303	S	S	*	.	S	Bend	trans	-63	-32.9	175.3	-172.5	-178.6	174.7	-177.8	0	112.6	N36	N36-K38 PolarHBondContact O-N 3.25Å
39	H	96.8	Very high	95.2	Very high	50 Å²	50	55.3 Å²	55.3	23%	0.231	27%	0.273	C	S	.	.			trans	-137.9	141.6	-179	-60.1	-70.2	0	0	0	109.9	L37 L44 L45	L37-H39 PolarHBondContact O-N 3.38Å; H39-L44 HydrophobicContact CB-CB 3.86Å; H39-L45 HydrophobicContact CB-CB 4.23Å
40	K	96.5	Very high	95.7	Very high	96 Å²	96	50.8 Å²	50.8	42%	0.417	25%	0.247	S	C	.	.	S	Bend	trans	-98	3.7	172	-61.8	-178.7	-178.9	-179.7	0	112.9	F217 G235 E236 Y241	K40-F217 WeakPolarHBondContact O-CE1 3.42Å; K40-G235 WeakPolarHBondContact O-CA 3.15Å; K40-E236 HydrophobicContact CB-CG 4.02Å; K40-E236 PolarHBondContact O-N 2.98Å; K40-Y241 HydrophobicContact CB-CE1 4.25Å; K40-Y241 HydrophobicContact CD-CE1 4.32Å; K40-Y241 HydrophobicContact CG-CE1 4.18Å
41	D	96.9	Very high	96	Very high	9 Å²	9	51.5 Å²	51.5	5%	0.048	25%	0.249	C	C	.	.	S	Bend	trans	-100.7	125.2	164	-175.3	-54.1	0	0	0	109.1	L43 L44 L45 E236 N237	D41-L43 PolarHBondContact O-N 3.07Å; D41-L43 WeakPolarHBondContact OD1-CA 3.39Å; D41-L43 WeakPolarHBondContact OD1-CB 3.29Å; D41-L43 PolarHBondContact OD1-N 3.34Å; D41-L44 HydrophobicContact CB-CB 4.17Å; D41-L44 HydrophobicContact CB-CD1 3.98Å; D41-L44 HydrophobicContact CB-CG 3.99Å; D41-L44 PolarHBondContact O-N 3.31Å; D41-L44 PolarHBondContact OD1-N 3.38Å; D41-L45 PolarHBondContact O-N 3.24Å; D41-E236 HydrophobicContact CB-CB 4.13Å; D41-N237 PolarHBondContact OD2-ND2 2.86Å
42	P	98	Very high	96.3	Very high	0 Å²	0	51 Å²	51	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-70	-25.3	-177.8	28.4	-34.1	0	0	0	114.4	F46 I201 F203 F217 W239	P42-F46 VanDerWaalsContact O-CB 3.3Å; P42-F46 WeakPolarHBondContact O-CB 3.4Å; P42-F46 PolarHBondContact O-N 3.37Å; P42-I201 HydrophobicContact CB-CB 4.04Å; P42-I201 HydrophobicContact CB-CD1 3.78Å; P42-I201 HydrophobicContact CB-CG1 4.38Å; P42-I201 HydrophobicContact CB-CG2 4.36Å; P42-I201 HydrophobicContact CG-CD1 4.02Å; P42-F203 HydrophobicContact CB-CE2 3.99Å; P42-F203 HydrophobicContact CB-CZ 4.46Å; P42-F203 WeakPolarHBondContact O-CZ 3.41Å; P42-F217 HydrophobicContact CB-CB 3.71Å; P42-F217 HydrophobicContact CB-CD1 3.86Å; P42-F217 HydrophobicContact CB-CD2 3.89Å; P42-F217 HydrophobicContact CB-CE1 4.46Å; P42-F217 HydrophobicContact CB-CE2 4.47Å; P42-F217 HydrophobicContact CB-CG 3.55Å; P42-F217 HydrophobicContact CG-CB 3.8Å; P42-F217 HydrophobicContact CG-CD1 3.97Å; P42-F217 HydrophobicContact CG-CG 3.95Å; P42-W239 VanDerWaalsContact CD-CD1 3.44Å; P42-W239 HydrophobicContact CG-CD2 3.47Å; P42-W239 VanDerWaalsContact CG-CD2 3.47Å; P42-W239 VanDerWaalsContact CG-CE2 3.43Å; P42-W239 HydrophobicContact CG-CE3 3.9Å; P42-W239 HydrophobicContact CG-CG 3.78Å; P42-W239 HydrophobicContact CG-CH2 4.27Å; P42-W239 HydrophobicContact CG-CZ2 3.86Å; P42-W239 HydrophobicContact CG-CZ3 4.28Å
43	L	98.2	Very high	96.4	Very high	21 Å²	21	50 Å²	50	11%	0.11	24%	0.24	C	C	.	.	H	α-helix	trans	-70.8	-41.3	175.3	-58.4	180	0	0	0	110.3	D41 F46 K47 L86 F91 P198 I201	D41-L43 PolarHBondContact O-N 3.07Å; D41-L43 WeakPolarHBondContact OD1-CA 3.39Å; D41-L43 WeakPolarHBondContact OD1-CB 3.29Å; D41-L43 PolarHBondContact OD1-N 3.34Å; L43-F46 PolarHBondContact O-N 2.92Å; L43-K47 WeakPolarHBondContact O-CB 3.37Å; L43-K47 PolarHBondContact O-N 3.43Å; L43-L86 HydrophobicContact CD2-CD1 4.09Å; L43-F91 HydrophobicContact CD2-CE2 4.07Å; L43-F91 HydrophobicContact CD2-CZ 4.4Å; L43-P198 HydrophobicContact CD2-CG 4.04Å; L43-I201 HydrophobicContact CD2-CD1 3.93Å
44	L	98	Very high	96.6	Very high	73 Å²	73	52.7 Å²	52.7	38%	0.382	25%	0.253	S	S	.	.	H	α-helix	trans	-65.8	-40.7	173.1	-63.4	-177.2	0	0	0	111.6	H39 D41 K47 S48	H39-L44 HydrophobicContact CB-CB 3.86Å; D41-L44 HydrophobicContact CB-CB 4.17Å; D41-L44 HydrophobicContact CB-CD1 3.98Å; D41-L44 HydrophobicContact CB-CG 3.99Å; D41-L44 PolarHBondContact O-N 3.31Å; D41-L44 PolarHBondContact OD1-N 3.38Å; L44-K47 PolarHBondContact O-N 2.81Å; L44-S48 PolarHBondContact O-N 3Å
45	L	98.2	Very high	96.9	Very high	3 Å²	3	59.3 Å²	59.3	2%	0.016	28%	0.281	C	S	.	.	H	α-helix	trans	-63.2	-45.6	175.2	-174.3	58	0	0	0	111.5	F32 L37 H39 D41 K47 S48 W49 F203 F217	F32-L45 HydrophobicContact CZ-CD2 4.16Å; L37-L45 HydrophobicContact CD2-CD2 3.89Å; H39-L45 HydrophobicContact CB-CB 4.23Å; D41-L45 PolarHBondContact O-N 3.24Å; L45-K47 PolarHBondContact O-N 3.33Å; L45-S48 PolarHBondContact O-N 2.87Å; L45-S48 PolarHBondContact O-OG 3.48Å; L45-W49 PolarHBondContact O-N 2.94Å; L45-F203 HydrophobicContact CB-CE1 4.2Å; L45-F203 HydrophobicContact CB-CE2 4.29Å; L45-F203 HydrophobicContact CB-CZ 3.81Å; L45-F203 HydrophobicContact CD2-CD1 4.1Å; L45-F203 HydrophobicContact CD2-CD2 3.77Å; L45-F203 HydrophobicContact CD2-CE1 4.05Å; L45-F203 HydrophobicContact CD2-CE2 3.7Å; L45-F203 HydrophobicContact CD2-CG 3.98Å; L45-F203 HydrophobicContact CD2-CZ 3.86Å; L45-F203 HydrophobicContact CG-CD1 4.1Å; L45-F203 HydrophobicContact CG-CD2 4.49Å; L45-F203 HydrophobicContact CG-CE1 3.72Å; L45-F203 HydrophobicContact CG-CE2 4.13Å; L45-F203 HydrophobicContact CG-CG 4.48Å; L45-F203 HydrophobicContact CG-CZ 3.74Å; L45-F217 HydrophobicContact CD2-CE2 3.67Å; L45-F217 HydrophobicContact CD2-CZ 3.9Å
46	F	98.7	Very high	97.2	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-58.2	-48.4	174.1	176.4	-87.2	0	0	0	111.2	P42 L43 S48 W49 F50 L83 L86 F91 F115 W117 V124 F203	P42-F46 VanDerWaalsContact O-CB 3.3Å; P42-F46 WeakPolarHBondContact O-CB 3.4Å; P42-F46 PolarHBondContact O-N 3.37Å; L43-F46 PolarHBondContact O-N 2.92Å; F46-S48 VanDerWaalsContact C-N 3.26Å; F46-S48 PolarHBondContact O-N 3.41Å; F46-W49 PolarHBondContact O-N 3.07Å; F46-W49 VanDerWaalsContact O-N 3.1Å; F46-F50 HydrophobicContact CD1-CB 4.3Å; F46-F50 HydrophobicContact CE1-CB 3.96Å; F46-F50 HydrophobicContact CE1-CD2 4.06Å; F46-F50 HydrophobicContact CE1-CG 4.11Å; F46-F50 HydrophobicContact CZ-CB 4.36Å; F46-F50 AromaticContact CZ-CD2 3.94Å; F46-F50 HydrophobicContact CZ-CD2 3.94Å; F46-F50 HydrophobicContact CZ-CG 4.41Å; F46-F50 VanDerWaalsContact O-CB 3.31Å; F46-F50 WeakPolarHBondContact O-CB 3.41Å; F46-F50 PolarHBondContact O-N 2.95Å; F46-L83 HydrophobicContact CE1-CD2 3.88Å; F46-L83 HydrophobicContact CZ-CD2 3.87Å; F46-L86 HydrophobicContact CD1-CD1 4.44Å; F46-L86 HydrophobicContact CD1-CD2 3.45Å; F46-L86 VanDerWaalsContact CD1-CD2 3.45Å; F46-L86 HydrophobicContact CE1-CD2 3.97Å; F46-L86 HydrophobicContact CG-CD2 4.48Å; F46-F91 AromaticContact CD1-CE1 3.96Å; F46-F91 HydrophobicContact CD1-CE1 3.96Å; F46-F91 HydrophobicContact CD1-CZ 4.42Å; F46-F91 AromaticContact CD2-CE1 3.99Å; F46-F91 HydrophobicContact CD2-CE1 3.99Å; F46-F91 HydrophobicContact CD2-CZ 4.29Å; F46-F91 AromaticContact CE1-CE1 3.8Å; F46-F91 HydrophobicContact CE1-CE1 3.8Å; F46-F91 AromaticContact CE2-CE1 3.83Å; F46-F91 HydrophobicContact CE2-CE1 3.83Å; F46-F91 HydrophobicContact CG-CE1 4.04Å; F46-F91 HydrophobicContact CG-CZ 4.2Å; F46-F91 HydrophobicContact CZ-CD1 4.44Å; F46-F91 AromaticContact CZ-CE1 3.72Å; F46-F91 HydrophobicContact CZ-CE1 3.72Å; F46-F115 HydrophobicContact CE2-CD1 4.28Å; F46-F115 AromaticContact CE2-CD2 3.67Å; F46-F115 HydrophobicContact CE2-CD2 3.67Å; F46-F115 HydrophobicContact CE2-CE1 4.3Å; F46-F115 AromaticContact CE2-CE2 3.72Å; F46-F115 HydrophobicContact CE2-CE2 3.72Å; F46-F115 AromaticContact CE2-CG 3.97Å; F46-F115 HydrophobicContact CE2-CG 3.97Å; F46-F115 HydrophobicContact CE2-CZ 4.04Å; F46-F115 HydrophobicContact CZ-CD1 4.17Å; F46-F115 HydrophobicContact CZ-CD2 4.19Å; F46-F115 AromaticContact CZ-CE1 3.85Å; F46-F115 HydrophobicContact CZ-CE1 3.85Å; F46-F115 AromaticContact CZ-CE2 3.89Å; F46-F115 HydrophobicContact CZ-CE2 3.89Å; F46-F115 HydrophobicContact CZ-CG 4.32Å; F46-F115 AromaticContact CZ-CZ 3.72Å; F46-F115 HydrophobicContact CZ-CZ 3.72Å; F46-W117 HydrophobicContact CD2-CH2 4.42Å; F46-W117 AromaticContact CE2-CH2 3.88Å; F46-W117 HydrophobicContact CE2-CH2 3.88Å; F46-W117 HydrophobicContact CE2-CZ2 4.32Å; F46-W117 HydrophobicContact CZ-CH2 4.35Å; F46-W117 HydrophobicContact CZ-CZ2 4.47Å; F46-V124 HydrophobicContact CD2-CB 4.14Å; F46-V124 HydrophobicContact CD2-CG1 3.93Å; F46-V124 HydrophobicContact CD2-CG2 4.03Å; F46-V124 HydrophobicContact CE2-CB 4.31Å; F46-V124 HydrophobicContact CE2-CG1 4.44Å; F46-V124 HydrophobicContact CE2-CG2 4.37Å; F46-F203 HydrophobicContact CB-CE1 4.19Å; F46-F203 HydrophobicContact CB-CZ 4.03Å
47	K	98.3	Very high	97.6	Very high	110 Å²	110	57.6 Å²	57.6	48%	0.478	27%	0.27	S	S	.	.	H	α-helix	trans	-53.9	-45.8	177.4	-178.8	178.5	178.4	176.3	0	111.2	L43 L44 L45 W49 F50 E51 L86	L43-K47 WeakPolarHBondContact O-CB 3.37Å; L43-K47 PolarHBondContact O-N 3.43Å; L44-K47 PolarHBondContact O-N 2.81Å; L45-K47 PolarHBondContact O-N 3.33Å; K47-W49 PolarHBondContact O-N 3.41Å; K47-F50 PolarHBondContact O-N 3.06Å; K47-E51 VanDerWaalsContact CE-OE1 3.27Å; K47-E51 WeakPolarHBondContact CE-OE1 3.42Å; K47-E51 WeakPolarHBondContact O-CG 3.45Å; K47-E51 PolarHBondContact O-N 3.27Å; K47-L86 HydrophobicContact CB-CD2 4.34Å
48	S	98.2	Very high	97.7	Very high	7 Å²	7	61.6 Å²	61.6	5%	0.049	29%	0.291	C	S	.	.	H	α-helix	trans	-62	-42.5	178	76.4	0	0	0	0	112.9	L44 L45 F46 E51 E52	L44-S48 PolarHBondContact O-N 3Å; L45-S48 PolarHBondContact O-N 2.87Å; L45-S48 PolarHBondContact O-OG 3.48Å; F46-S48 VanDerWaalsContact C-N 3.26Å; F46-S48 PolarHBondContact O-N 3.41Å; S48-E51 PolarHBondContact O-N 3.08Å; S48-E52 PolarHBondContact O-N 2.87Å
49	W	98.4	Very high	97.9	Very high	8 Å²	8	55.6 Å²	55.6	3%	0.03	27%	0.266	C	S	.	.	H	α-helix	trans	-68.8	-36.5	176.8	-81.6	31.5	0	0	0	112.4	F32 L45 F46 K47 E52 A53 W117 R122 V124 F203 Q205	F32-W49 HydrophobicContact CD1-CH2 4.24Å; F32-W49 HydrophobicContact CD1-CZ2 4.08Å; F32-W49 AromaticContact CD2-CZ2 3.89Å; F32-W49 HydrophobicContact CD2-CZ2 3.89Å; F32-W49 HydrophobicContact CE1-CH2 4.1Å; F32-W49 AromaticContact CE1-CZ2 3.89Å; F32-W49 HydrophobicContact CE1-CZ2 3.89Å; F32-W49 AromaticContact CE2-CZ2 3.69Å; F32-W49 HydrophobicContact CE2-CZ2 3.69Å; F32-W49 HydrophobicContact CG-CZ2 4.07Å; F32-W49 HydrophobicContact CZ-CH2 4.31Å; F32-W49 AromaticContact CZ-CZ2 3.69Å; F32-W49 HydrophobicContact CZ-CZ2 3.69Å; L45-W49 PolarHBondContact O-N 2.94Å; F46-W49 PolarHBondContact O-N 3.07Å; F46-W49 VanDerWaalsContact O-N 3.1Å; K47-W49 PolarHBondContact O-N 3.41Å; W49-E52 WeakPolarHBondContact O-CB 3.08Å; W49-E52 PolarHBondContact O-N 3.19Å; W49-A53 PolarHBondContact O-N 3.12Å; W49-W117 HydrophobicContact CB-CH2 4.39Å; W49-W117 HydrophobicContact CB-CZ3 3.86Å; W49-W117 HydrophobicContact CE3-CZ3 4.12Å; W49-R122 HydrophobicContact CE3-CB 3.93Å; W49-R122 HydrophobicContact CE3-CG 3.99Å; W49-R122 HydrophobicContact CH2-CB 4.29Å; W49-R122 HydrophobicContact CH2-CG 3.72Å; W49-R122 HydrophobicContact CZ2-CG 4.36Å; W49-R122 HydrophobicContact CZ3-CB 3.59Å; W49-R122 HydrophobicContact CZ3-CG 3.51Å; W49-V124 HydrophobicContact CE3-CG2 3.81Å; W49-V124 HydrophobicContact CZ3-CG2 4.25Å; W49-F203 AromaticContact CD2-CD1 3.89Å; W49-F203 HydrophobicContact CD2-CD1 3.89Å; W49-F203 HydrophobicContact CD2-CE1 4.37Å; W49-F203 AromaticContact CE3-CD1 3.78Å; W49-F203 HydrophobicContact CE3-CD1 3.78Å; W49-F203 HydrophobicContact CE3-CE1 4.45Å; W49-F203 HydrophobicContact CH2-CB 4.01Å; W49-F203 HydrophobicContact CH2-CD1 4.24Å; W49-F203 HydrophobicContact CZ2-CB 4.4Å; W49-F203 HydrophobicContact CZ2-CD1 4.32Å; W49-F203 HydrophobicContact CZ3-CB 4.25Å; W49-F203 AromaticContact CZ3-CD1 3.96Å; W49-F203 HydrophobicContact CZ3-CD1 3.96Å; W49-Q205 HydrophobicContact CH2-CB 4.24Å
50	F	98.6	Very high	97.8	Very high	41 Å²	41	62.4 Å²	62.4	18%	0.18	30%	0.296	C	S	.	.	H	α-helix	trans	-66.6	-40.7	177.2	-172.3	-102.4	0	0	0	111.6	F46 K47 E52 A53 I54 P62 N63 L83 W117	F46-F50 HydrophobicContact CD1-CB 4.3Å; F46-F50 HydrophobicContact CE1-CB 3.96Å; F46-F50 HydrophobicContact CE1-CD2 4.06Å; F46-F50 HydrophobicContact CE1-CG 4.11Å; F46-F50 HydrophobicContact CZ-CB 4.36Å; F46-F50 AromaticContact CZ-CD2 3.94Å; F46-F50 HydrophobicContact CZ-CD2 3.94Å; F46-F50 HydrophobicContact CZ-CG 4.41Å; F46-F50 VanDerWaalsContact O-CB 3.31Å; F46-F50 WeakPolarHBondContact O-CB 3.41Å; F46-F50 PolarHBondContact O-N 2.95Å; K47-F50 PolarHBondContact O-N 3.06Å; F50-E52 VanDerWaalsContact C-N 3.32Å; F50-E52 PolarHBondContact O-N 3.2Å; F50-A53 WeakPolarHBondContact O-CB 3.06Å; F50-A53 PolarHBondContact O-N 3.38Å; F50-A53 VanDerWaalsContact O-N 3.14Å; F50-I54 HydrophobicContact CD1-CD1 3.62Å; F50-I54 HydrophobicContact CD1-CG1 4.35Å; F50-I54 HydrophobicContact CE1-CD1 3.42Å; F50-I54 VanDerWaalsContact CE1-CD1 3.42Å; F50-I54 HydrophobicContact CE1-CG1 4.13Å; F50-I54 HydrophobicContact CZ-CD1 4.24Å; F50-I54 WeakPolarHBondContact O-CG1 3.46Å; F50-I54 PolarHBondContact O-N 3.48Å; F50-P62 HydrophobicContact CE2-CB 4.43Å; F50-P62 WeakPolarHBondContact CE2-O 3.21Å; F50-N63 HydrophobicContact CE2-CB 4.1Å; F50-N63 HydrophobicContact CZ-CB 3.9Å; F50-L83 HydrophobicContact CE2-CD2 4.18Å; F50-L83 HydrophobicContact CZ-CD2 4.43Å; F50-W117 HydrophobicContact CB-CH2 4.47Å; F50-W117 HydrophobicContact CD2-CH2 4.4Å; F50-W117 AromaticContact CD2-CZ2 3.81Å; F50-W117 HydrophobicContact CD2-CZ2 3.81Å
51	E	98.4	Very high	97.9	Very high	75 Å²	75	63 Å²	63	35%	0.35	30%	0.3	S	S	.	.	H	α-helix	trans	-63	-36.7	173	-73.7	173.9	-172.7	0	0	112.3	K47 S48 K55	K47-E51 VanDerWaalsContact CE-OE1 3.27Å; K47-E51 WeakPolarHBondContact CE-OE1 3.42Å; K47-E51 WeakPolarHBondContact O-CG 3.45Å; K47-E51 PolarHBondContact O-N 3.27Å; S48-E51 PolarHBondContact O-N 3.08Å; E51-K55 WeakPolarHBondContact O-CD 3.5Å; E51-K55 VanDerWaalsContact O-CG 3.28Å; E51-K55 WeakPolarHBondContact O-CG 2.75Å; E51-K55 PolarHBondContact O-N 3.07Å
52	E	98.2	Very high	98	Very high	77 Å²	77	63.5 Å²	63.5	36%	0.36	30%	0.304	S	S	.	.	H	α-helix	trans	-66	-39.5	171.3	-71.5	177.6	-134.3	0	0	111.8	S48 W49 F50 K55 C56 L120 R122	S48-E52 PolarHBondContact O-N 2.87Å; W49-E52 WeakPolarHBondContact O-CB 3.08Å; W49-E52 PolarHBondContact O-N 3.19Å; F50-E52 VanDerWaalsContact C-N 3.32Å; F50-E52 PolarHBondContact O-N 3.2Å; E52-K55 PolarHBondContact O-N 2.92Å; E52-C56 WeakPolarHBondContact O-CB 3.48Å; E52-C56 PolarHBondContact O-N 3.26Å; E52-C56 VanDerWaalsContact O-N 3.13Å; E52-L120 HydrophobicContact CB-CD1 4.49Å; E52-R122 IonicContact OE1-NH1 2.86Å; E52-R122 IonicContact OE2-CZ 3.22Å; E52-R122 IonicContact OE2-NH1 3.6Å; E52-R122 PolarHBondContact OE2-NH1 2.93Å; E52-R122 IonicContact OE2-NH2 2.97Å
53	A	98.5	Very high	98	Very high	0 Å²	0	65.4 Å²	65.4	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-63	-42.8	175.9	0	0	0	0	0	112.1	W49 F50 K55 C56 V59 P62 W117 L120	W49-A53 PolarHBondContact O-N 3.12Å; F50-A53 WeakPolarHBondContact O-CB 3.06Å; F50-A53 PolarHBondContact O-N 3.38Å; F50-A53 VanDerWaalsContact O-N 3.14Å; A53-K55 VanDerWaalsContact C-N 3.31Å; A53-K55 PolarHBondContact O-N 3.41Å; A53-C56 PolarHBondContact O-N 2.83Å; A53-V59 HydrophobicContact CB-CG1 4.36Å; A53-V59 WeakPolarHBondContact O-CB 3.36Å; A53-P62 HydrophobicContact CB-CB 3.94Å; A53-W117 HydrophobicContact CB-CD2 3.64Å; A53-W117 HydrophobicContact CB-CE3 4.19Å; A53-W117 HydrophobicContact CB-CG 3.81Å; A53-W117 HydrophobicContact CB-CZ2 4.27Å; A53-L120 HydrophobicContact CB-CD1 3.96Å
54	I	98.2	Very high	98	Very high	98 Å²	98	65.2 Å²	65.2	50%	0.503	32%	0.315	S	S	.	.	H	α-helix	trans	-60.4	-40.8	174.8	-70.9	163.7	0	0	0	111.9	F50 C56 P62	F50-I54 HydrophobicContact CD1-CD1 3.62Å; F50-I54 HydrophobicContact CD1-CG1 4.35Å; F50-I54 HydrophobicContact CE1-CD1 3.42Å; F50-I54 VanDerWaalsContact CE1-CD1 3.42Å; F50-I54 HydrophobicContact CE1-CG1 4.13Å; F50-I54 HydrophobicContact CZ-CD1 4.24Å; F50-I54 WeakPolarHBondContact O-CG1 3.46Å; F50-I54 PolarHBondContact O-N 3.48Å; I54-C56 VanDerWaalsContact C-N 3.26Å; I54-C56 PolarHBondContact O-N 3.09Å; I54-P62 HydrophobicContact CG1-CB 4.25Å; I54-P62 HydrophobicContact CG1-CG 3.91Å
55	K	98.3	Very high	98	Very high	163 Å²	163	61.7 Å²	61.7	71%	0.709	30%	0.297	S	S	*	.	H	α-helix	trans	-76.9	-13.1	-178	-68.8	167.3	-173.3	167.2	0	113.1	E51 E52 A53 E57	E51-K55 WeakPolarHBondContact O-CD 3.5Å; E51-K55 VanDerWaalsContact O-CG 3.28Å; E51-K55 WeakPolarHBondContact O-CG 2.75Å; E51-K55 PolarHBondContact O-N 3.07Å; E52-K55 PolarHBondContact O-N 2.92Å; A53-K55 VanDerWaalsContact C-N 3.31Å; A53-K55 PolarHBondContact O-N 3.41Å; K55-E57 PolarHBondContact O-N 3.43Å
56	C	97.6	Very high	98.1	Very high	30 Å²	30	62.4 Å²	62.4	20%	0.203	30%	0.303	C	S	.	.			trans	-85.2	109.3	-178.6	-171.1	0	0	0	0	110.5	E52 A53 I54 N58 V59 L120	E52-C56 WeakPolarHBondContact O-CB 3.48Å; E52-C56 PolarHBondContact O-N 3.26Å; E52-C56 VanDerWaalsContact O-N 3.13Å; A53-C56 PolarHBondContact O-N 2.83Å; I54-C56 VanDerWaalsContact C-N 3.26Å; I54-C56 PolarHBondContact O-N 3.09Å; C56-N58 PolarHBondContact O-N 2.98Å; C56-V59 HydrophobicContact CB-CB 4.25Å; C56-V59 HydrophobicContact CB-CG2 3.75Å; C56-V59 PolarHBondContact O-N 3.4Å; C56-L120 HydrophobicContact CB-CD1 4.41Å; C56-L120 HydrophobicContact CB-CD2 4.2Å; C56-L120 HydrophobicContact CB-CG 4.29Å
57	E	96.2	Very high	98.1	Very high	182 Å²	182	62.4 Å²	62.4	85%	0.85	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.7	-33.3	-177.1	-172.9	177.4	-176.9	0	0	114.2	K55 V59	K55-E57 PolarHBondContact O-N 3.43Å; E57-V59 VanDerWaalsContact C-N 3.32Å; E57-V59 PolarHBondContact O-N 3Å
58	N	97.5	Very high	98.1	Very high	108 Å²	108	58.8 Å²	58.8	58%	0.578	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.6	-4.9	-178.8	-67.6	-45.4	0	0	0	113.9	C56 F60 P119	C56-N58 PolarHBondContact O-N 2.98Å; N58-F60 PolarHBondContact O-N 3.22Å; N58-P119 HydrophobicContact CB-CB 3.83Å; N58-P119 HydrophobicContact CB-CG 3.72Å; N58-P119 WeakPolarHBondContact O-CG 3.36Å
59	V	97.8	Very high	98.1	Very high	16 Å²	16	58.7 Å²	58.7	10%	0.097	29%	0.293	C	S	.	.			trans	-92.8	95.1	173.5	-179.7	0	0	0	0	108.4	A53 C56 E57 P62 W117 P119 L120	A53-V59 HydrophobicContact CB-CG1 4.36Å; A53-V59 WeakPolarHBondContact O-CB 3.36Å; C56-V59 HydrophobicContact CB-CB 4.25Å; C56-V59 HydrophobicContact CB-CG2 3.75Å; C56-V59 PolarHBondContact O-N 3.4Å; E57-V59 VanDerWaalsContact C-N 3.32Å; E57-V59 PolarHBondContact O-N 3Å; V59-P62 HydrophobicContact CG1-CB 3.82Å; V59-W117 HydrophobicContact CG1-CG 4.36Å; V59-W117 HydrophobicContact CG2-CB 4.24Å; V59-P119 HydrophobicContact CG2-CB 4.13Å; V59-P119 HydrophobicContact CG2-CG 3.81Å; V59-L120 HydrophobicContact CG2-CD1 4.43Å; V59-L120 HydrophobicContact CG2-CG 4.33Å
60	F	96.2	Very high	98	Very high	194 Å²	194	59.4 Å²	59.4	85%	0.851	30%	0.299	S	S	*	.	S	Bend	trans	-68.3	-41.6	-173.1	-66.5	-72.9	0	0	0	114.7	N58	N58-F60 PolarHBondContact O-N 3.22Å
61	E	97.6	Very high	97.8	Very high	107 Å²	107	59.1 Å²	59.1	50%	0.5	30%	0.299	S	S	.	.			trans	-132	76.7	-177.9	-163.7	172.4	-132.4	0	0	109.9	N63 A64 L82	E61-N63 WeakPolarHBondContact CG-OD1 3.35Å; E61-N63 PolarHBondContact O-N 2.97Å; E61-N63 VanDerWaalsContact O-N 3.15Å; E61-A64 HydrophobicContact CB-CB 4.15Å; E61-A64 HydrophobicContact CG-CB 3.91Å; E61-A64 WeakPolarHBondContact O-CB 3.36Å; E61-A64 PolarHBondContact O-N 3.2Å; E61-L82 VanDerWaalsContact CD-CD2 3.49Å; E61-L82 HydrophobicContact CG-CD2 4.07Å; E61-L82 WeakPolarHBondContact OE1-CD2 3.46Å
62	P	98.2	Very high	97.6	Very high	21 Å²	21	62.2 Å²	62.2	14%	0.136	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-25.4	-172.7	23.6	-34.1	0	0	0	113.3	F50 A53 I54 V59 W117	F50-P62 HydrophobicContact CE2-CB 4.43Å; F50-P62 WeakPolarHBondContact CE2-O 3.21Å; A53-P62 HydrophobicContact CB-CB 3.94Å; I54-P62 HydrophobicContact CG1-CB 4.25Å; I54-P62 HydrophobicContact CG1-CG 3.91Å; V59-P62 HydrophobicContact CG1-CB 3.82Å; P62-W117 PolarHBondContact O-NE1 3.38Å
63	N	98.4	Very high	97.5	Very high	39 Å²	39	65 Å²	65	21%	0.209	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	1.4	178.3	68.4	-35.6	0	0	0	114.5	F50 E61 L82 L83	F50-N63 HydrophobicContact CE2-CB 4.1Å; F50-N63 HydrophobicContact CZ-CB 3.9Å; E61-N63 WeakPolarHBondContact CG-OD1 3.35Å; E61-N63 PolarHBondContact O-N 2.97Å; E61-N63 VanDerWaalsContact O-N 3.15Å; N63-L82 CarbonylContact O-C 3.55Å; N63-L82 WeakPolarHBondContact O-CA 3.26Å; N63-L83 HydrophobicContact CB-CB 4.27Å; N63-L83 WeakPolarHBondContact CB-O 3.34Å; N63-L83 PolarHBondContact ND2-O 3.4Å; N63-L83 PolarHBondContact O-N 3.42Å
64	A	98.6	Very high	97.3	Very high	17 Å²	17	69.5 Å²	69.5	14%	0.14	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	131.3	170.4	0	0	0	0	0	110.8	E61 F80 L82	E61-A64 HydrophobicContact CB-CB 4.15Å; E61-A64 HydrophobicContact CG-CB 3.91Å; E61-A64 WeakPolarHBondContact O-CB 3.36Å; E61-A64 PolarHBondContact O-N 3.2Å; A64-F80 HydrophobicContact CB-CD1 4.37Å; A64-L82 HydrophobicContact CB-CD2 4.17Å
65	M	98.6	Very high	97.2	Very high	0 Å²	0	69.2 Å²	69.2	0%	0	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	140.8	176.5	65.3	-176.8	-175.9	0	0	111.4	F80 V81 L83 F93 L113 V114 F115	M65-F80 CarbonylContact O-C 3.49Å; M65-F80 VanDerWaalsContact O-CA 3.3Å; M65-F80 WeakPolarHBondContact O-CA 3.29Å; M65-V81 HydrophobicContact CE-CG2 3.52Å; M65-V81 HydrophobicContact CG-CG2 3.69Å; M65-V81 PolarHBondContact N-O 3.42Å; M65-V81 PolarHBondContact O-N 3.02Å; M65-V81 VanDerWaalsContact O-O 3.07Å; M65-V81 HydrophobicContact SD-CG2 4.44Å; M65-L83 HydrophobicContact CE-CB 4.46Å; M65-L83 HydrophobicContact SD-CB 4.05Å; M65-L83 HydrophobicContact SD-CD1 4.38Å; M65-F93 HydrophobicContact CE-CB 3.49Å; M65-F93 VanDerWaalsContact CE-CB 3.49Å; M65-F93 HydrophobicContact CE-CD1 3.74Å; M65-F93 HydrophobicContact CE-CG 3.74Å; M65-L113 HydrophobicContact CE-CD1 4.18Å; M65-L113 HydrophobicContact CE-CD2 3.88Å; M65-L113 HydrophobicContact CG-CD2 4.46Å; M65-L113 HydrophobicContact SD-CB 4.29Å; M65-L113 HydrophobicContact SD-CD1 3.81Å; M65-L113 HydrophobicContact SD-CD2 3.83Å; M65-L113 HydrophobicContact SD-CG 4.18Å; M65-V114 CarbonylContact C-O 3.51Å; M65-V114 WeakPolarHBondContact CA-O 3.46Å; M65-F115 HydrophobicContact CB-CD1 3.9Å; M65-F115 HydrophobicContact CB-CD2 4.4Å; M65-F115 HydrophobicContact CB-CE1 3.64Å; M65-F115 HydrophobicContact CB-CE2 4.15Å; M65-F115 HydrophobicContact CB-CG 4.28Å; M65-F115 HydrophobicContact CB-CZ 3.76Å; M65-F115 HydrophobicContact CG-CE1 4.31Å; M65-F115 HydrophobicContact CG-CZ 4.21Å; M65-F115 HydrophobicContact SD-CE1 4.03Å; M65-F115 HydrophobicContact SD-CE2 4.08Å; M65-F115 HydrophobicContact SD-CZ 3.43Å; M65-F115 WeakPolarHBondContact SD-CZ 3.45Å
66	A	98.7	Very high	97.2	Very high	18 Å²	18	66.3 Å²	66.3	15%	0.149	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	120.9	170.4	0	0	0	0	0	109.2	V78 F80 L113 V114	A66-V78 HydrophobicContact CB-CG2 3.9Å; A66-F80 HydrophobicContact CB-CD1 4.44Å; A66-F80 HydrophobicContact CB-CE1 4.19Å; A66-F80 HydrophobicContact CB-CZ 4.47Å; A66-L113 CarbonylContact O-C 3.57Å; A66-L113 VanDerWaalsContact O-CA 3.27Å; A66-L113 WeakPolarHBondContact O-CA 3.25Å; A66-V114 HydrophobicContact CB-CB 4.39Å; A66-V114 PolarHBondContact N-O 3.34Å; A66-V114 PolarHBondContact O-N 2.8Å
67	L	98.7	Very high	97.2	Very high	0 Å²	0	65.6 Å²	65.6	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	114.7	174.5	169.5	66.3	0	0	0	109.7	T69 V78 R79 V81 F93 K101 A111 L113	L67-T69 HydrophobicContact CD1-CG2 4.03Å; L67-T69 HydrophobicContact CG-CG2 4.17Å; L67-V78 WeakPolarHBondContact O-CA 3.42Å; L67-R79 PolarHBondContact N-O 2.71Å; L67-R79 PolarHBondContact O-N 2.74Å; L67-V81 HydrophobicContact CB-CG1 4.31Å; L67-V81 HydrophobicContact CB-CG2 3.75Å; L67-V81 HydrophobicContact CD2-CG1 4.15Å; L67-V81 HydrophobicContact CD2-CG2 4.35Å; L67-F93 HydrophobicContact CD1-CZ 4.2Å; L67-F93 HydrophobicContact CD2-CD2 4.31Å; L67-F93 HydrophobicContact CD2-CE2 3.64Å; L67-F93 HydrophobicContact CD2-CZ 4.06Å; L67-K101 HydrophobicContact CD2-CG 4.5Å; L67-K101 PolarHBondContact O-NZ 3.07Å; L67-A111 HydrophobicContact CD1-CB 3.86Å; L67-L113 HydrophobicContact CB-CD2 4.11Å; L67-L113 HydrophobicContact CD1-CD2 3.55Å; L67-L113 HydrophobicContact CG-CD2 4.43Å
68	A	98.6	Very high	97.3	Very high	33 Å²	33	61.7 Å²	61.7	27%	0.273	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	133.1	171.6	0	0	0	0	0	111	S77 V78 A111 S112	A68-S77 WeakPolarHBondContact CA-O 3.28Å; A68-V78 HydrophobicContact CB-CG2 4.46Å; A68-A111 WeakPolarHBondContact O-CA 3.24Å; A68-S112 PolarHBondContact N-O 2.8Å; A68-S112 PolarHBondContact O-N 3.37Å
69	T	98.3	Very high	97.3	Very high	5 Å²	5	59.7 Å²	59.7	3%	0.031	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	164.9	179.1	48.8	0	0	0	0	107.4	L67 P76 S77 K101 E104 L105 A111	L67-T69 HydrophobicContact CD1-CG2 4.03Å; L67-T69 HydrophobicContact CG-CG2 4.17Å; T69-P76 CarbonylContact O-C 3.48Å; T69-P76 WeakPolarHBondContact O-CA 3.18Å; T69-S77 PolarHBondContact N-O 3.1Å; T69-S77 VanDerWaalsContact N-O 3.15Å; T69-S77 PolarHBondContact O-N 3.2Å; T69-S77 PolarHBondContact OG1-OG 3.09Å; T69-K101 HydrophobicContact CG2-CD 4.21Å; T69-K101 WeakPolarHBondContact OG1-CD 3.39Å; T69-K101 WeakPolarHBondContact OG1-CE 3.41Å; T69-K101 PolarHBondContact OG1-NZ 3.26Å; T69-E104 WeakPolarHBondContact CB-OE2 2.93Å; T69-E104 PolarHBondContact OG1-OE2 3.25Å; T69-L105 HydrophobicContact CG2-CD1 4.44Å; T69-L105 HydrophobicContact CG2-CD2 3.69Å; T69-L105 HydrophobicContact CG2-CG 3.89Å; T69-A111 HydrophobicContact CG2-CB 4.15Å
70	C	97.4	Very high	97.3	Very high	24 Å²	24	66.1 Å²	66.1	16%	0.162	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	153.3	174.1	62.7	0	0	0	0	111.4	I75 N108	C70-I75 VanDerWaalsContact CA-O 3.29Å; C70-I75 WeakPolarHBondContact CA-O 3.18Å; C70-I75 VanDerWaalsContact CB-O 3.3Å; C70-I75 WeakPolarHBondContact CB-O 3.07Å; C70-N108 PolarHBondContact SG-ND2 2.68Å
71	N	94.3	Very high	97.4	Very high	35 Å²	35	57.5 Å²	57.5	19%	0.187	31%	0.309	C	S	.	.			trans	-77	-177.7	176.8	66.8	4.6	0	0	0	111.7	Q73 C74 I75 E104	N71-Q73 PolarHBondContact ND2-OE1 3.33Å; N71-Q73 PolarHBondContact O-N 2.53Å; N71-Q73 VanDerWaalsContact O-N 3.07Å; N71-Q73 WeakPolarHBondContact OD1-CA 3.29Å; N71-Q73 PolarHBondContact OD1-N 3.38Å; N71-Q73 VanDerWaalsContact OD1-N 3.09Å; N71-C74 WeakPolarHBondContact O-CA 3.41Å; N71-C74 PolarHBondContact O-N 3.47Å; N71-C74 PolarHBondContact OD1-N 2.96Å; N71-I75 PolarHBondContact N-O 3.49Å; N71-I75 WeakPolarHBondContact OD1-CB 3.3Å; N71-I75 PolarHBondContact OD1-N 2.92Å; N71-E104 HydrophobicContact CB-CG 4.13Å
72	K	94.2	Very high	97.4	Very high	139 Å²	139	54.9 Å²	54.9	60%	0.604	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-24.2	176	-63.8	-171.2	-170.7	-176.4	0	114.7	C74 D107	K72-C74 VanDerWaalsContact C-N 3.26Å; K72-D107 HydrophobicContact CD-CB 4.48Å; K72-D107 WeakPolarHBondContact CE-OD1 3.26Å; K72-D107 WeakPolarHBondContact CE-OD2 3.37Å; K72-D107 HydrophobicContact CG-CB 3.81Å; K72-D107 IonicContact NZ-OD1 3Å; K72-D107 PolarHBondContact NZ-OD1 2.75Å; K72-D107 IonicContact NZ-OD2 3.92Å
73	Q	95.3	Very high	97.4	Very high	136 Å²	136	54.2 Å²	54.2	64%	0.636	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.6	9.7	176.4	-65.1	73.7	34.5	0	0	112.4	N71 I75	N71-Q73 PolarHBondContact ND2-OE1 3.33Å; N71-Q73 PolarHBondContact O-N 2.53Å; N71-Q73 VanDerWaalsContact O-N 3.07Å; N71-Q73 WeakPolarHBondContact OD1-CA 3.29Å; N71-Q73 PolarHBondContact OD1-N 3.38Å; N71-Q73 VanDerWaalsContact OD1-N 3.09Å; Q73-I75 HydrophobicContact CB-CD1 4.14Å; Q73-I75 HydrophobicContact CB-CG1 4.07Å; Q73-I75 PolarHBondContact O-N 2.76Å
74	C	94.5	Very high	97.4	Very high	95 Å²	95	56.1 Å²	56.1	64%	0.642	30%	0.3	S	S	*	.			trans	57.8	26	-177.1	-55.8	0	0	0	0	113.9	N71 K72 P76	N71-C74 WeakPolarHBondContact O-CA 3.41Å; N71-C74 PolarHBondContact O-N 3.47Å; N71-C74 PolarHBondContact OD1-N 2.96Å; K72-C74 VanDerWaalsContact C-N 3.26Å; C74-P76 WeakPolarHBondContact O-CD 3.41Å
75	I	96.8	Very high	97.3	Very high	92 Å²	92	60.7 Å²	60.7	47%	0.472	32%	0.319	S	S	.	.			trans	-81.3	116.8	175.7	-57.8	175	0	0	0	108.3	C70 N71 Q73	C70-I75 VanDerWaalsContact CA-O 3.29Å; C70-I75 WeakPolarHBondContact CA-O 3.18Å; C70-I75 VanDerWaalsContact CB-O 3.3Å; C70-I75 WeakPolarHBondContact CB-O 3.07Å; N71-I75 PolarHBondContact N-O 3.49Å; N71-I75 WeakPolarHBondContact OD1-CB 3.3Å; N71-I75 PolarHBondContact OD1-N 2.92Å; Q73-I75 HydrophobicContact CB-CD1 4.14Å; Q73-I75 HydrophobicContact CB-CG1 4.07Å; Q73-I75 PolarHBondContact O-N 2.76Å
76	P	97.4	Very high	97.3	Very high	101 Å²	101	63 Å²	63	66%	0.656	33%	0.331	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.8	148.6	-175.8	30.8	-35.2	0	0	0	111.9	T69 C74	T69-P76 CarbonylContact O-C 3.48Å; T69-P76 WeakPolarHBondContact O-CA 3.18Å; C74-P76 WeakPolarHBondContact O-CD 3.41Å
77	S	97.4	Very high	97.2	Very high	15 Å²	15	63.6 Å²	63.6	11%	0.105	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	149.5	168.4	86.3	0	0	0	0	108.8	A68 T69 K101 E104	A68-S77 WeakPolarHBondContact CA-O 3.28Å; T69-S77 PolarHBondContact N-O 3.1Å; T69-S77 VanDerWaalsContact N-O 3.15Å; T69-S77 PolarHBondContact O-N 3.2Å; T69-S77 PolarHBondContact OG1-OG 3.09Å; S77-K101 PolarHBondContact O-NZ 2.84Å; S77-K101 WeakPolarHBondContact OG-CE 3.43Å; S77-K101 PolarHBondContact OG-NZ 3.41Å; S77-E104 PolarHBondContact OG-OE1 3Å; S77-E104 PolarHBondContact OG-OE2 2.84Å
78	V	98.2	Very high	97	Very high	100 Å²	100	70.8 Å²	70.8	61%	0.606	37%	0.365	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-139	140.5	179	66.3	0	0	0	0	111.1	A66 L67 A68	A66-V78 HydrophobicContact CB-CG2 3.9Å; L67-V78 WeakPolarHBondContact O-CA 3.42Å; A68-V78 HydrophobicContact CB-CG2 4.46Å
79	R	97.7	Very high	96.8	Very high	66 Å²	66	73 Å²	73	25%	0.249	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	159.9	167.3	71.3	-177.2	170.7	94.8	-0.9	110.1	L67 T95 K101	L67-R79 PolarHBondContact N-O 2.71Å; L67-R79 PolarHBondContact O-N 2.74Å; R79-T95 PolarHBondContact NH2-OG1 2.84Å; R79-K101 HydrophobicContact CG-CG 4.46Å
80	F	98.3	Very high	96.8	Very high	152 Å²	152	72.8 Å²	72.8	67%	0.667	37%	0.371	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.1	141.8	171	-73.8	-85.1	0	0	0	111.6	A64 M65 A66	A64-F80 HydrophobicContact CB-CD1 4.37Å; M65-F80 CarbonylContact O-C 3.49Å; M65-F80 VanDerWaalsContact O-CA 3.3Å; M65-F80 WeakPolarHBondContact O-CA 3.29Å; A66-F80 HydrophobicContact CB-CD1 4.44Å; A66-F80 HydrophobicContact CB-CE1 4.19Å; A66-F80 HydrophobicContact CB-CZ 4.47Å
81	V	97.9	Very high	96.9	Very high	12 Å²	12	71.7 Å²	71.7	7%	0.073	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	172.7	166.8	-61.9	0	0	0	0	107.5	M65 L67 F93	M65-V81 HydrophobicContact CE-CG2 3.52Å; M65-V81 HydrophobicContact CG-CG2 3.69Å; M65-V81 PolarHBondContact N-O 3.42Å; M65-V81 PolarHBondContact O-N 3.02Å; M65-V81 VanDerWaalsContact O-O 3.07Å; M65-V81 HydrophobicContact SD-CG2 4.44Å; L67-V81 HydrophobicContact CB-CG1 4.31Å; L67-V81 HydrophobicContact CB-CG2 3.75Å; L67-V81 HydrophobicContact CD2-CG1 4.15Å; L67-V81 HydrophobicContact CD2-CG2 4.35Å; V81-F93 HydrophobicContact CG2-CB 4.49Å; V81-F93 HydrophobicContact CG2-CD2 4.44Å
82	L	98.2	Very high	97.1	Very high	52 Å²	52	70.1 Å²	70.1	27%	0.272	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	127.6	-179.9	-59.5	-178.9	0	0	0	109.7	E61 N63 A64 K84	E61-L82 VanDerWaalsContact CD-CD2 3.49Å; E61-L82 HydrophobicContact CG-CD2 4.07Å; E61-L82 WeakPolarHBondContact OE1-CD2 3.46Å; N63-L82 CarbonylContact O-C 3.55Å; N63-L82 WeakPolarHBondContact O-CA 3.26Å; A64-L82 HydrophobicContact CB-CD2 4.17Å; L82-K84 HydrophobicContact CB-CD 4.41Å; L82-K84 VanDerWaalsContact CD1-NZ 3.34Å
83	L	98.6	Very high	97.3	Very high	7 Å²	7	63.5 Å²	63.5	4%	0.037	33%	0.326	C	S	.	.			trans	-61.5	131.8	162.5	-177.2	69.6	0	0	0	108.5	F46 F50 N63 M65 E85 F91 F115	F46-L83 HydrophobicContact CE1-CD2 3.88Å; F46-L83 HydrophobicContact CZ-CD2 3.87Å; F50-L83 HydrophobicContact CE2-CD2 4.18Å; F50-L83 HydrophobicContact CZ-CD2 4.43Å; N63-L83 HydrophobicContact CB-CB 4.27Å; N63-L83 WeakPolarHBondContact CB-O 3.34Å; N63-L83 PolarHBondContact ND2-O 3.4Å; N63-L83 PolarHBondContact O-N 3.42Å; M65-L83 HydrophobicContact CE-CB 4.46Å; M65-L83 HydrophobicContact SD-CB 4.05Å; M65-L83 HydrophobicContact SD-CD1 4.38Å; L83-E85 VanDerWaalsContact CD1-O 3.24Å; L83-E85 WeakPolarHBondContact CD1-O 3.34Å; L83-F91 HydrophobicContact CD1-CB 3.85Å; L83-F91 HydrophobicContact CD1-CD1 3.8Å; L83-F91 HydrophobicContact CD1-CG 4.31Å; L83-F91 HydrophobicContact CD2-CD1 4.41Å; L83-F115 HydrophobicContact CB-CE1 3.93Å; L83-F115 HydrophobicContact CB-CZ 4.1Å; L83-F115 HydrophobicContact CD1-CZ 4.38Å; L83-F115 HydrophobicContact CD2-CE1 3.86Å; L83-F115 HydrophobicContact CD2-CZ 3.84Å; L83-F115 HydrophobicContact CG-CE1 4.44Å; L83-F115 HydrophobicContact CG-CZ 4.34Å
84	K	97.7	Very high	97.4	Very high	80 Å²	80	58.6 Å²	58.6	35%	0.348	30%	0.303	S	S	.	.			trans	-110.9	-34.9	178.1	-62.7	-52.4	178.9	-175.2	0	112.7	L82 H92 F94 Y141	L82-K84 HydrophobicContact CB-CD 4.41Å; L82-K84 VanDerWaalsContact CD1-NZ 3.34Å; K84-H92 PolarHBondContact N-O 2.95Å; K84-F94 HydrophobicContact CB-CD2 4.07Å; K84-F94 HydrophobicContact CB-CE2 4Å; K84-F94 HydrophobicContact CG-CD2 3.79Å; K84-F94 HydrophobicContact CG-CE2 4.23Å; K84-Y141 HydrophobicContact CB-CE2 4.47Å; K84-Y141 HydrophobicContact CD-CE2 4.35Å; K84-Y141 WeakPolarHBondContact CD-OH 3.37Å; K84-Y141 WeakPolarHBondContact CE-OH 3.38Å; K84-Y141 HydrophobicContact CG-CE1 4.18Å; K84-Y141 HydrophobicContact CG-CE2 4.3Å
85	E	97.4	Very high	97.4	Very high	112 Å²	112	54.4 Å²	54.4	52%	0.523	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152	153.6	-179.6	-178.7	162.8	-157.7	0	0	110.5	L83 H92	L83-E85 VanDerWaalsContact CD1-O 3.24Å; L83-E85 WeakPolarHBondContact CD1-O 3.34Å; E85-H92 HydrophobicContact CB-CB 3.85Å; E85-H92 WeakPolarHBondContact O-CB 3.39Å; E85-H92 PolarHBondContact O-N 3.2Å
86	L	98.2	Very high	97.2	Very high	49 Å²	49	50.3 Å²	50.3	26%	0.257	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	121.1	171	177.3	77.9	0	0	0	107.2	L43 F46 K47 G90 F91	L43-L86 HydrophobicContact CD2-CD1 4.09Å; F46-L86 HydrophobicContact CD1-CD1 4.44Å; F46-L86 HydrophobicContact CD1-CD2 3.45Å; F46-L86 VanDerWaalsContact CD1-CD2 3.45Å; F46-L86 HydrophobicContact CE1-CD2 3.97Å; F46-L86 HydrophobicContact CG-CD2 4.48Å; K47-L86 HydrophobicContact CB-CD2 4.34Å; L86-G90 WeakPolarHBondContact CA-O 3.27Å; L86-F91 HydrophobicContact CD1-CD1 3.82Å; L86-F91 HydrophobicContact CD1-CD2 4.15Å; L86-F91 HydrophobicContact CD1-CE1 3.69Å; L86-F91 HydrophobicContact CD1-CE2 4.01Å; L86-F91 HydrophobicContact CD1-CG 4.04Å; L86-F91 HydrophobicContact CD1-CZ 3.77Å
87	D	96.4	Very high	97.1	Very high	30 Å²	30	46.2 Å²	46.2	16%	0.16	23%	0.225	C	C	.	.			trans	-133	-168.9	177	68.9	-1.7	0	0	0	110	N89 G90 H92	D87-N89 PolarHBondContact O-N 2.87Å; D87-N89 WeakPolarHBondContact OD1-CA 3.33Å; D87-N89 VanDerWaalsContact OD1-CB 3.32Å; D87-N89 WeakPolarHBondContact OD1-CB 3.46Å; D87-N89 PolarHBondContact OD1-N 3.19Å; D87-N89 PolarHBondContact OD2-ND2 3.28Å; D87-G90 PolarHBondContact N-O 3.12Å; D87-G90 PolarHBondContact O-N 2.96Å; D87-G90 PolarHBondContact OD1-N 3Å; D87-H92 IonicContact OD1-CD2 2.78Å; D87-H92 IonicContact OD1-NE2 3.38Å; D87-H92 PolarHBondContact OD1-NE2 3.29Å; D87-H92 VanDerWaalsContact OD1-NE2 3.1Å; D87-H92 IonicContact OD2-CD2 3.57Å; D87-H92 IonicContact OD2-CE1 2.76Å; D87-H92 IonicContact OD2-NE2 2.92Å; D87-H92 PolarHBondContact OD2-NE2 2.88Å
88	E	94.7	Very high	97	Very high	151 Å²	151	49.4 Å²	49.4	71%	0.706	24%	0.241	S	C	*	.	S	Bend	trans	-64.4	-23.2	175.2	65.3	-86.4	-161.6	0	0	114.1
89	N	94.9	Very high	96.8	Very high	81 Å²	81	44.7 Å²	44.7	43%	0.433	21%	0.212	S	C	.	.	S	Bend	trans	-82.2	-30.6	-179.6	-57.9	-59.2	0	0	0	111.5	D87 I195 S197	D87-N89 PolarHBondContact O-N 2.87Å; D87-N89 WeakPolarHBondContact OD1-CA 3.33Å; D87-N89 VanDerWaalsContact OD1-CB 3.32Å; D87-N89 WeakPolarHBondContact OD1-CB 3.46Å; D87-N89 PolarHBondContact OD1-N 3.19Å; D87-N89 PolarHBondContact OD2-ND2 3.28Å; N89-I195 HydrophobicContact CB-CG2 4.03Å; N89-S197 VanDerWaalsContact O-CA 3.29Å; N89-S197 WeakPolarHBondContact O-CA 3.32Å; N89-S197 WeakPolarHBondContact O-CB 3.44Å; N89-S197 PolarHBondContact O-OG 3.31Å
90	G	97.8	Very high	96.7	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	22%	0.223	C	C	.	.			trans	139	-137	166.4	0	0	0	0	0	114	L86 D87 H92 L196	L86-G90 WeakPolarHBondContact CA-O 3.27Å; D87-G90 PolarHBondContact N-O 3.12Å; D87-G90 PolarHBondContact O-N 2.96Å; D87-G90 PolarHBondContact OD1-N 3Å; G90-H92 PolarHBondContact O-CD2 3.2Å; G90-L196 WeakPolarHBondContact CA-O 3.3Å
91	F	98.8	Very high	96.6	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	114.6	-169.9	-63.5	-101.7	0	0	0	110.7	L43 F46 L83 L86 L113 F115 V126 L196 P198 I201	L43-F91 HydrophobicContact CD2-CE2 4.07Å; L43-F91 HydrophobicContact CD2-CZ 4.4Å; F46-F91 AromaticContact CD1-CE1 3.96Å; F46-F91 HydrophobicContact CD1-CE1 3.96Å; F46-F91 HydrophobicContact CD1-CZ 4.42Å; F46-F91 AromaticContact CD2-CE1 3.99Å; F46-F91 HydrophobicContact CD2-CE1 3.99Å; F46-F91 HydrophobicContact CD2-CZ 4.29Å; F46-F91 AromaticContact CE1-CE1 3.8Å; F46-F91 HydrophobicContact CE1-CE1 3.8Å; F46-F91 AromaticContact CE2-CE1 3.83Å; F46-F91 HydrophobicContact CE2-CE1 3.83Å; F46-F91 HydrophobicContact CG-CE1 4.04Å; F46-F91 HydrophobicContact CG-CZ 4.2Å; F46-F91 HydrophobicContact CZ-CD1 4.44Å; F46-F91 AromaticContact CZ-CE1 3.72Å; F46-F91 HydrophobicContact CZ-CE1 3.72Å; L83-F91 HydrophobicContact CD1-CB 3.85Å; L83-F91 HydrophobicContact CD1-CD1 3.8Å; L83-F91 HydrophobicContact CD1-CG 4.31Å; L83-F91 HydrophobicContact CD2-CD1 4.41Å; L86-F91 HydrophobicContact CD1-CD1 3.82Å; L86-F91 HydrophobicContact CD1-CD2 4.15Å; L86-F91 HydrophobicContact CD1-CE1 3.69Å; L86-F91 HydrophobicContact CD1-CE2 4.01Å; L86-F91 HydrophobicContact CD1-CG 4.04Å; L86-F91 HydrophobicContact CD1-CZ 3.77Å; F91-L113 HydrophobicContact CB-CD1 3.69Å; F91-L113 HydrophobicContact CD1-CD1 4.42Å; F91-L113 HydrophobicContact CG-CD1 4Å; F91-F115 HydrophobicContact CD1-CE2 4.08Å; F91-F115 HydrophobicContact CD1-CZ 4.04Å; F91-F115 HydrophobicContact CE1-CE2 4.02Å; F91-F115 HydrophobicContact CE1-CZ 4.27Å; F91-V126 HydrophobicContact CD2-CG1 3.96Å; F91-V126 HydrophobicContact CE1-CG2 4.11Å; F91-V126 HydrophobicContact CE2-CB 4.42Å; F91-V126 HydrophobicContact CE2-CG1 3.71Å; F91-V126 HydrophobicContact CE2-CG2 3.88Å; F91-V126 HydrophobicContact CZ-CG1 4.37Å; F91-V126 HydrophobicContact CZ-CG2 3.66Å; F91-L196 HydrophobicContact CB-CB 4.38Å; F91-L196 PolarHBondContact N-O 2.89Å; F91-L196 PolarHBondContact O-N 3.46Å; F91-P198 HydrophobicContact CE2-CB 4.33Å; F91-P198 HydrophobicContact CE2-CG 4.2Å; F91-I201 HydrophobicContact CE2-CD1 4.1Å; F91-I201 HydrophobicContact CZ-CD1 4.29Å
92	H	98.6	Very high	96.4	Very high	3 Å²	3	40 Å²	40	1%	0.014	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	131.9	-176.4	-70.5	-109.2	0	0	0	112.3	K84 E85 D87 G90 E137 Y194 I195	K84-H92 PolarHBondContact N-O 2.95Å; E85-H92 HydrophobicContact CB-CB 3.85Å; E85-H92 WeakPolarHBondContact O-CB 3.39Å; E85-H92 PolarHBondContact O-N 3.2Å; D87-H92 IonicContact OD1-CD2 2.78Å; D87-H92 IonicContact OD1-NE2 3.38Å; D87-H92 PolarHBondContact OD1-NE2 3.29Å; D87-H92 VanDerWaalsContact OD1-NE2 3.1Å; D87-H92 IonicContact OD2-CD2 3.57Å; D87-H92 IonicContact OD2-CE1 2.76Å; D87-H92 IonicContact OD2-NE2 2.92Å; D87-H92 PolarHBondContact OD2-NE2 2.88Å; G90-H92 PolarHBondContact O-CD2 3.2Å; H92-E137 IonicContact CE1-OE1 2.79Å; H92-Y194 WeakPolarHBondContact CA-O 3.28Å; H92-I195 WeakPolarHBondContact CE1-CD1 3.37Å
93	F	98.4	Very high	96.3	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	153.9	174.8	63.9	-83.4	0	0	0	111.5	M65 L67 V81 L105 V130 G193 Y194	M65-F93 HydrophobicContact CE-CB 3.49Å; M65-F93 VanDerWaalsContact CE-CB 3.49Å; M65-F93 HydrophobicContact CE-CD1 3.74Å; M65-F93 HydrophobicContact CE-CG 3.74Å; L67-F93 HydrophobicContact CD1-CZ 4.2Å; L67-F93 HydrophobicContact CD2-CD2 4.31Å; L67-F93 HydrophobicContact CD2-CE2 3.64Å; L67-F93 HydrophobicContact CD2-CZ 4.06Å; V81-F93 HydrophobicContact CG2-CB 4.49Å; V81-F93 HydrophobicContact CG2-CD2 4.44Å; F93-L105 HydrophobicContact CZ-CD1 4.34Å; F93-V130 HydrophobicContact CZ-CG1 4.37Å; F93-G193 CarbonylContact O-C 3.58Å; F93-G193 WeakPolarHBondContact O-CA 3.21Å; F93-Y194 HydrophobicContact CD2-CD2 4.44Å; F93-Y194 AromaticContact CE2-CD2 3.79Å; F93-Y194 HydrophobicContact CE2-CD2 3.79Å; F93-Y194 HydrophobicContact CE2-CG 4.02Å; F93-Y194 HydrophobicContact CZ-CD2 4.26Å; F93-Y194 HydrophobicContact CZ-CG 4.01Å; F93-Y194 PolarHBondContact N-O 3.29Å; F93-Y194 PolarHBondContact O-N 2.92Å
94	F	97	Very high	96.2	Very high	33 Å²	33	42.8 Å²	42.8	15%	0.145	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	139.6	-174	-64.7	-101.5	0	0	0	111.2	K84 Y141 W191 G192 G193	K84-F94 HydrophobicContact CB-CD2 4.07Å; K84-F94 HydrophobicContact CB-CE2 4Å; K84-F94 HydrophobicContact CG-CD2 3.79Å; K84-F94 HydrophobicContact CG-CE2 4.23Å; F94-Y141 HydrophobicContact CB-CD1 4.14Å; F94-Y141 HydrophobicContact CB-CE1 3.94Å; F94-Y141 AromaticContact CD1-CD1 3.44Å; F94-Y141 HydrophobicContact CD1-CD1 3.44Å; F94-Y141 VanDerWaalsContact CD1-CD1 3.44Å; F94-Y141 HydrophobicContact CD1-CE1 4.12Å; F94-Y141 HydrophobicContact CD1-CG 4.31Å; F94-Y141 AromaticContact CD2-CD1 3.32Å; F94-Y141 HydrophobicContact CD2-CD1 3.32Å; F94-Y141 AromaticContact CD2-CE1 3.41Å; F94-Y141 HydrophobicContact CD2-CE1 3.41Å; F94-Y141 VanDerWaalsContact CD2-CE1 3.41Å; F94-Y141 HydrophobicContact CD2-CG 4.11Å; F94-Y141 AromaticContact CE1-CD1 3.53Å; F94-Y141 HydrophobicContact CE1-CD1 3.53Å; F94-Y141 AromaticContact CE1-CG 3.95Å; F94-Y141 HydrophobicContact CE1-CG 3.95Å; F94-Y141 AromaticContact CE2-CD1 3.41Å; F94-Y141 HydrophobicContact CE2-CD1 3.41Å; F94-Y141 VanDerWaalsContact CE2-CD1 3.41Å; F94-Y141 HydrophobicContact CE2-CD2 4.36Å; F94-Y141 AromaticContact CE2-CE1 3.88Å; F94-Y141 HydrophobicContact CE2-CE1 3.88Å; F94-Y141 AromaticContact CE2-CG 3.72Å; F94-Y141 HydrophobicContact CE2-CG 3.72Å; F94-Y141 AromaticContact CG-CD1 3.34Å; F94-Y141 HydrophobicContact CG-CD1 3.34Å; F94-Y141 AromaticContact CG-CE1 3.55Å; F94-Y141 HydrophobicContact CG-CE1 3.55Å; F94-Y141 HydrophobicContact CG-CG 4.4Å; F94-Y141 AromaticContact CZ-CD1 3.51Å; F94-Y141 HydrophobicContact CZ-CD1 3.51Å; F94-Y141 HydrophobicContact CZ-CE1 4.42Å; F94-Y141 AromaticContact CZ-CG 3.63Å; F94-Y141 HydrophobicContact CZ-CG 3.63Å; F94-W191 HydrophobicContact CB-CH2 4.09Å; F94-W191 HydrophobicContact CB-CZ2 3.72Å; F94-W191 AromaticContact CD1-CH2 3.67Å; F94-W191 HydrophobicContact CD1-CH2 3.67Å; F94-W191 HydrophobicContact CD1-CZ2 4.19Å; F94-W191 AromaticContact CD1-CZ3 3.95Å; F94-W191 HydrophobicContact CD1-CZ3 3.95Å; F94-W191 HydrophobicContact CE1-CH2 4.46Å; F94-W191 HydrophobicContact CG-CH2 4.12Å; F94-W191 HydrophobicContact CG-CZ2 4.26Å; F94-G192 WeakPolarHBondContact CA-O 3.23Å; F94-G193 VanDerWaalsContact CD1-N 3.3Å
95	T	94.5	Very high	96.2	Very high	7 Å²	7	39.3 Å²	39.3	4%	0.043	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159	-173.8	179.2	-162.4	0	0	0	0	111.4	R79 Q158 G192 Y194	R79-T95 PolarHBondContact NH2-OG1 2.84Å; T95-Q158 PolarHBondContact OG1-OE1 2.78Å; T95-G192 PolarHBondContact N-O 3.37Å; T95-G192 PolarHBondContact O-N 3.49Å; T95-G192 VanDerWaalsContact O-N 3.08Å; T95-G192 VanDerWaalsContact O-O 3.04Å; T95-Y194 HydrophobicContact CG2-CD2 3.86Å; T95-Y194 HydrophobicContact CG2-CE2 3.63Å
96	N	94.1	Very high	96.1	Very high	5 Å²	5	38.2 Å²	38.2	3%	0.027	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	124.6	174.5	-171.9	-57	0	0	0	109.5	N98 S99 Q158 N190	N96-N98 PolarHBondContact O-N 2.93Å; N96-N98 WeakPolarHBondContact OD1-CA 3.02Å; N96-N98 VanDerWaalsContact OD1-CB 3.3Å; N96-N98 WeakPolarHBondContact OD1-CB 3.26Å; N96-N98 PolarHBondContact OD1-N 2.69Å; N96-S99 WeakPolarHBondContact O-CB 3.46Å; N96-S99 PolarHBondContact O-N 2.99Å; N96-S99 PolarHBondContact O-OG 2.82Å; N96-S99 PolarHBondContact OD1-N 3.07Å; N96-Q158 HydrophobicContact CB-CB 3.8Å; N96-N190 CarbonylContact C-O 3.52Å; N96-N190 VanDerWaalsContact CA-O 3.29Å; N96-N190 WeakPolarHBondContact CA-O 3.36Å; N96-N190 PolarHBondContact ND2-ND2 2.93Å; N96-N190 PolarHBondContact OD1-O 2.94Å
97	Y	95.1	Very high	96	Very high	16 Å²	16	39.7 Å²	39.7	6%	0.063	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-28.2	178.1	-64.4	-35.9	0	0	0	112.9	S99 G102 R132 N138 N190 G192 G193 Y194	Y97-S99 VanDerWaalsContact C-N 3.32Å; Y97-G102 CarbonylContact O-C 3.57Å; Y97-G102 WeakPolarHBondContact O-CA 3.27Å; Y97-R132 HydrophobicContact CE1-CG 4.22Å; Y97-N138 PolarHBondContact OH-ND2 3.31Å; Y97-N190 PolarHBondContact N-O 3.33Å; Y97-G192 VanDerWaalsContact CZ-CA 3.44Å; Y97-G192 WeakPolarHBondContact OH-CA 3.19Å; Y97-G193 PolarHBondContact OH-N 3.3Å; Y97-G193 PolarHBondContact OH-O 3.1Å; Y97-Y194 HydrophobicContact CD1-CE1 4.38Å; Y97-Y194 AromaticContact CD1-CE2 3.56Å; Y97-Y194 HydrophobicContact CD1-CE2 3.56Å; Y97-Y194 AromaticContact CD1-CZ 3.5Å; Y97-Y194 VanDerWaalsContact CD1-CZ 3.5Å; Y97-Y194 VanDerWaalsContact CD1-OH 3.27Å; Y97-Y194 WeakPolarHBondContact CD1-OH 3.17Å; Y97-Y194 HydrophobicContact CE1-CD2 4.18Å; Y97-Y194 HydrophobicContact CE1-CE1 4.21Å; Y97-Y194 AromaticContact CE1-CE2 3.63Å; Y97-Y194 HydrophobicContact CE1-CE2 3.63Å; Y97-Y194 AromaticContact CE1-CZ 3.67Å
98	N	94.2	Very high	96	Very high	82 Å²	82	40.1 Å²	40.1	44%	0.439	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-4.1	175.6	-59.2	-5.8	0	0	0	112.8	N96 Q103	N96-N98 PolarHBondContact O-N 2.93Å; N96-N98 WeakPolarHBondContact OD1-CA 3.02Å; N96-N98 VanDerWaalsContact OD1-CB 3.3Å; N96-N98 WeakPolarHBondContact OD1-CB 3.26Å; N96-N98 PolarHBondContact OD1-N 2.69Å; N98-Q103 PolarHBondContact O-NE2 3.42Å
99	S	94.3	Very high	96.1	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.176	C	C	.	.	S	Bend	trans	-63.2	161.5	174.6	73.2	0	0	0	0	111	N96 Y97 K101 G102 Q103	N96-S99 WeakPolarHBondContact O-CB 3.46Å; N96-S99 PolarHBondContact O-N 2.99Å; N96-S99 PolarHBondContact O-OG 2.82Å; N96-S99 PolarHBondContact OD1-N 3.07Å; Y97-S99 VanDerWaalsContact C-N 3.32Å; S99-K101 PolarHBondContact O-N 2.98Å; S99-K101 VanDerWaalsContact O-N 3.09Å; S99-K101 PolarHBondContact OG-N 3.08Å; S99-G102 PolarHBondContact O-N 2.85Å; S99-G102 PolarHBondContact OG-N 2.84Å; S99-Q103 PolarHBondContact O-N 2.78Å
100	R	95	Very high	96.3	Very high	126 Å²	126	38.2 Å²	38.2	48%	0.475	18%	0.182	S	C	.	.	H	α-helix	trans	-48.4	-40	171.3	176.5	177	174.1	174.7	3.6	112.2	E104	R100-E104 HydrophobicContact CG-CG 4.4Å; R100-E104 WeakPolarHBondContact CG-OE1 3.43Å; R100-E104 IonicContact CZ-OE1 3.51Å; R100-E104 IonicContact NE-OE1 3.63Å; R100-E104 PolarHBondContact NE-OE1 2.71Å; R100-E104 IonicContact NH2-OE1 3.79Å; R100-E104 PolarHBondContact NH2-OE1 2.8Å; R100-E104 WeakPolarHBondContact O-CB 3.13Å; R100-E104 WeakPolarHBondContact O-CG 3.44Å; R100-E104 PolarHBondContact O-N 3.19Å
101	K	95.8	Very high	96.3	Very high	6 Å²	6	38.8 Å²	38.8	3%	0.026	19%	0.186	C	C	.	.	H	α-helix	trans	-68.3	-41.3	178.6	-64.9	-61.9	-178.7	153.6	0	112.8	L67 T69 S77 R79 S99 E104 L105	L67-K101 HydrophobicContact CD2-CG 4.5Å; L67-K101 PolarHBondContact O-NZ 3.07Å; T69-K101 HydrophobicContact CG2-CD 4.21Å; T69-K101 WeakPolarHBondContact OG1-CD 3.39Å; T69-K101 WeakPolarHBondContact OG1-CE 3.41Å; T69-K101 PolarHBondContact OG1-NZ 3.26Å; S77-K101 PolarHBondContact O-NZ 2.84Å; S77-K101 WeakPolarHBondContact OG-CE 3.43Å; S77-K101 PolarHBondContact OG-NZ 3.41Å; R79-K101 HydrophobicContact CG-CG 4.46Å; S99-K101 PolarHBondContact O-N 2.98Å; S99-K101 VanDerWaalsContact O-N 3.09Å; S99-K101 PolarHBondContact OG-N 3.08Å; K101-E104 PolarHBondContact O-N 2.9Å; K101-L105 WeakPolarHBondContact O-CB 3.49Å; K101-L105 VanDerWaalsContact O-CG 3.26Å; K101-L105 WeakPolarHBondContact O-CG 3.38Å; K101-L105 PolarHBondContact O-N 2.81Å
102	G	95.5	Very high	96.3	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-65	-43.9	178.6	0	0	0	0	0	111.7	Y97 S99 L105 D106 Y194	Y97-G102 CarbonylContact O-C 3.57Å; Y97-G102 WeakPolarHBondContact O-CA 3.27Å; S99-G102 PolarHBondContact O-N 2.85Å; S99-G102 PolarHBondContact OG-N 2.84Å; G102-L105 PolarHBondContact O-N 3.15Å; G102-D106 PolarHBondContact O-N 2.91Å; G102-Y194 WeakPolarHBondContact CA-OH 3.34Å
103	Q	95.4	Very high	96.3	Very high	110 Å²	110	39.9 Å²	39.9	51%	0.514	19%	0.194	S	C	.	.	H	α-helix	trans	-62.6	-43.8	174.5	-64.3	176.4	40.7	0	0	112.3	N98 S99 L105 D106 D107	N98-Q103 PolarHBondContact O-NE2 3.42Å; S99-Q103 PolarHBondContact O-N 2.78Å; Q103-L105 VanDerWaalsContact C-N 3.29Å; Q103-L105 PolarHBondContact O-N 2.98Å; Q103-D106 PolarHBondContact O-N 3.17Å; Q103-D107 WeakPolarHBondContact O-CB 3.33Å; Q103-D107 PolarHBondContact O-N 2.81Å; Q103-D107 VanDerWaalsContact O-N 3.08Å
104	E	97	Very high	96.4	Very high	7 Å²	7	41.7 Å²	41.7	3%	0.033	21%	0.205	C	C	.	.	H	α-helix	trans	-60.3	-38.5	175.3	-76	172	177.8	0	0	111.9	T69 N71 S77 R100 K101 D107 N108	T69-E104 WeakPolarHBondContact CB-OE2 2.93Å; T69-E104 PolarHBondContact OG1-OE2 3.25Å; N71-E104 HydrophobicContact CB-CG 4.13Å; S77-E104 PolarHBondContact OG-OE1 3Å; S77-E104 PolarHBondContact OG-OE2 2.84Å; R100-E104 HydrophobicContact CG-CG 4.4Å; R100-E104 WeakPolarHBondContact CG-OE1 3.43Å; R100-E104 IonicContact CZ-OE1 3.51Å; R100-E104 IonicContact NE-OE1 3.63Å; R100-E104 PolarHBondContact NE-OE1 2.71Å; R100-E104 IonicContact NH2-OE1 3.79Å; R100-E104 PolarHBondContact NH2-OE1 2.8Å; R100-E104 WeakPolarHBondContact O-CB 3.13Å; R100-E104 WeakPolarHBondContact O-CG 3.44Å; R100-E104 PolarHBondContact O-N 3.19Å; K101-E104 PolarHBondContact O-N 2.9Å; E104-D107 PolarHBondContact O-N 2.74Å; E104-N108 PolarHBondContact O-N 3.13Å
105	L	97.5	Very high	96.5	Very high	8 Å²	8	40.1 Å²	40.1	4%	0.042	20%	0.198	C	C	.	.	H	α-helix	trans	-73.8	-33.7	178	-72.8	170.6	0	0	0	113.6	T69 F93 K101 G102 Q103 D107 N108 P109 A111 V130 Y194	T69-L105 HydrophobicContact CG2-CD1 4.44Å; T69-L105 HydrophobicContact CG2-CD2 3.69Å; T69-L105 HydrophobicContact CG2-CG 3.89Å; F93-L105 HydrophobicContact CZ-CD1 4.34Å; K101-L105 WeakPolarHBondContact O-CB 3.49Å; K101-L105 VanDerWaalsContact O-CG 3.26Å; K101-L105 WeakPolarHBondContact O-CG 3.38Å; K101-L105 PolarHBondContact O-N 2.81Å; G102-L105 PolarHBondContact O-N 3.15Å; Q103-L105 VanDerWaalsContact C-N 3.29Å; Q103-L105 PolarHBondContact O-N 2.98Å; L105-D107 VanDerWaalsContact C-N 3.28Å; L105-N108 CarbonylContact O-C 3.52Å; L105-P109 WeakPolarHBondContact O-CA 3.41Å; L105-A111 HydrophobicContact CD2-CB 4.15Å; L105-V130 HydrophobicContact CD1-CG1 4.11Å; L105-V130 HydrophobicContact CD2-CB 3.89Å; L105-V130 HydrophobicContact CD2-CG1 4.1Å; L105-V130 HydrophobicContact CD2-CG2 3.9Å; L105-Y194 HydrophobicContact CB-CE1 4.25Å; L105-Y194 HydrophobicContact CD1-CD1 4.06Å; L105-Y194 HydrophobicContact CD1-CD2 4.25Å; L105-Y194 HydrophobicContact CD1-CE1 3.91Å; L105-Y194 HydrophobicContact CD1-CE2 4.12Å; L105-Y194 HydrophobicContact CD1-CG 4.2Å
106	D	95.2	Very high	96.6	Very high	88 Å²	88	44.9 Å²	44.9	47%	0.471	22%	0.216	S	C	.	.	H	α-helix	trans	-66.2	-35.7	173.8	-72.4	-14.8	0	0	0	111	G102 Q103 R132	G102-D106 PolarHBondContact O-N 2.91Å; Q103-D106 PolarHBondContact O-N 3.17Å; D106-R132 IonicContact OD1-CZ 3.66Å; D106-R132 IonicContact OD1-NE 3.9Å; D106-R132 IonicContact OD1-NH2 2.72Å; D106-R132 PolarHBondContact OD1-NH2 3.07Å; D106-R132 IonicContact OD2-NH2 3.61Å; D106-R132 PolarHBondContact OD2-NH2 3.33Å
107	D	95.8	Very high	96.8	Very high	80 Å²	80	44.9 Å²	44.9	43%	0.428	22%	0.216	S	C	.	.	H	α-helix	trans	-81.1	-35.2	178.2	-74	-27.3	0	0	0	113.4	K72 Q103 E104 L105	K72-D107 HydrophobicContact CD-CB 4.48Å; K72-D107 WeakPolarHBondContact CE-OD1 3.26Å; K72-D107 WeakPolarHBondContact CE-OD2 3.37Å; K72-D107 HydrophobicContact CG-CB 3.81Å; K72-D107 IonicContact NZ-OD1 3Å; K72-D107 PolarHBondContact NZ-OD1 2.75Å; K72-D107 IonicContact NZ-OD2 3.92Å; Q103-D107 WeakPolarHBondContact O-CB 3.33Å; Q103-D107 PolarHBondContact O-N 2.81Å; Q103-D107 VanDerWaalsContact O-N 3.08Å; E104-D107 PolarHBondContact O-N 2.74Å; L105-D107 VanDerWaalsContact C-N 3.28Å
108	N	97.1	Very high	96.9	Very high	39 Å²	39	48.1 Å²	48.1	21%	0.209	23%	0.232	C	C	.	.			trans	-144.9	96.8	-176.2	-177.9	33	0	0	0	109.9	C70 E104 L105 Y110	C70-N108 PolarHBondContact SG-ND2 2.68Å; E104-N108 PolarHBondContact O-N 3.13Å; L105-N108 CarbonylContact O-C 3.52Å; N108-Y110 PolarHBondContact O-N 3.21Å; N108-Y110 VanDerWaalsContact OD1-CD2 3.27Å; N108-Y110 WeakPolarHBondContact OD1-CD2 3.21Å
109	P	97.1	Very high	97	Very high	52 Å²	52	46.3 Å²	46.3	34%	0.338	23%	0.225	S	C	.	.			trans	-78.9	33.4	-170.3	34.7	-38.4	0	0	0	113	L105 V129 V130	L105-P109 WeakPolarHBondContact O-CA 3.41Å; P109-V129 HydrophobicContact CB-CG1 4.45Å; P109-V129 CarbonylContact O-C 3.43Å; P109-V129 VanDerWaalsContact O-CA 3.27Å; P109-V129 WeakPolarHBondContact O-CA 3.49Å; P109-V129 WeakPolarHBondContact O-CG1 3.48Å; P109-V130 PolarHBondContact O-N 3.01Å
110	Y	98.3	Very high	97.1	Very high	141 Å²	141	47.3 Å²	47.3	55%	0.553	23%	0.23	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-113.7	136.1	175.6	-65.2	-90.8	0	0	0	109.9	N108 G128 V129	N108-Y110 PolarHBondContact O-N 3.21Å; N108-Y110 VanDerWaalsContact OD1-CD2 3.27Å; N108-Y110 WeakPolarHBondContact OD1-CD2 3.21Å; Y110-G128 WeakPolarHBondContact CA-O 3.27Å; Y110-V129 HydrophobicContact CD1-CG2 4.06Å; Y110-V129 HydrophobicContact CE1-CG2 3.73Å
111	A	98.6	Very high	97.3	Very high	11 Å²	11	42.9 Å²	42.9	9%	0.091	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	161.2	178.8	0	0	0	0	0	111.8	L67 A68 T69 L105 G128 V130 L196	L67-A111 HydrophobicContact CD1-CB 3.86Å; A68-A111 WeakPolarHBondContact O-CA 3.24Å; T69-A111 HydrophobicContact CG2-CB 4.15Å; L105-A111 HydrophobicContact CD2-CB 4.15Å; A111-G128 PolarHBondContact N-O 2.98Å; A111-G128 VanDerWaalsContact N-O 3.14Å; A111-G128 PolarHBondContact O-N 3.4Å; A111-V130 HydrophobicContact CB-CG2 3.58Å; A111-L196 HydrophobicContact CB-CD1 3.96Å
112	S	98.7	Very high	97.4	Very high	26 Å²	26	43.6 Å²	43.6	18%	0.182	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	138.8	167.8	-175	0	0	0	0	110.5	A68 V126	A68-S112 PolarHBondContact N-O 2.8Å; A68-S112 PolarHBondContact O-N 3.37Å; S112-V126 CarbonylContact C-O 3.6Å; S112-V126 WeakPolarHBondContact CA-O 3.47Å; S112-V126 PolarHBondContact OG-O 2.81Å; S112-V126 VanDerWaalsContact OG-O 3.09Å
113	L	98.8	Very high	97.5	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	142.7	174.7	-52	170	0	0	0	109.4	M65 A66 L67 F91 F115 R125 V126 L196	M65-L113 HydrophobicContact CE-CD1 4.18Å; M65-L113 HydrophobicContact CE-CD2 3.88Å; M65-L113 HydrophobicContact CG-CD2 4.46Å; M65-L113 HydrophobicContact SD-CB 4.29Å; M65-L113 HydrophobicContact SD-CD1 3.81Å; M65-L113 HydrophobicContact SD-CD2 3.83Å; M65-L113 HydrophobicContact SD-CG 4.18Å; A66-L113 CarbonylContact O-C 3.57Å; A66-L113 VanDerWaalsContact O-CA 3.27Å; A66-L113 WeakPolarHBondContact O-CA 3.25Å; L67-L113 HydrophobicContact CB-CD2 4.11Å; L67-L113 HydrophobicContact CD1-CD2 3.55Å; L67-L113 HydrophobicContact CG-CD2 4.43Å; F91-L113 HydrophobicContact CB-CD1 3.69Å; F91-L113 HydrophobicContact CD1-CD1 4.42Å; F91-L113 HydrophobicContact CG-CD1 4Å; L113-F115 HydrophobicContact CB-CE2 4.34Å; L113-R125 CarbonylContact O-C 3.53Å; L113-R125 WeakPolarHBondContact O-CA 3.45Å; L113-V126 HydrophobicContact CB-CB 4.13Å; L113-V126 PolarHBondContact N-O 2.99Å; L113-V126 PolarHBondContact O-N 3.22Å; L113-L196 HydrophobicContact CD1-CB 4.19Å; L113-L196 HydrophobicContact CD1-CD1 3.67Å; L113-L196 HydrophobicContact CD1-CG 4.43Å; L113-L196 HydrophobicContact CD2-CD1 4.33Å; L113-L196 HydrophobicContact CG-CD1 3.63Å
114	V	98.8	Very high	97.7	Very high	39 Å²	39	40.7 Å²	40.7	24%	0.236	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	125.3	170.2	-176.4	0	0	0	0	110.3	M65 A66 Q123 V124 R125	M65-V114 CarbonylContact C-O 3.51Å; M65-V114 WeakPolarHBondContact CA-O 3.46Å; A66-V114 HydrophobicContact CB-CB 4.39Å; A66-V114 PolarHBondContact N-O 3.34Å; A66-V114 PolarHBondContact O-N 2.8Å; V114-Q123 HydrophobicContact CG1-CG 3.66Å; V114-V124 WeakPolarHBondContact CA-O 3.39Å; V114-R125 HydrophobicContact CG2-CG 4.2Å
115	F	98.8	Very high	97.8	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	130.2	166.6	-60.8	-97.3	0	0	0	108	F46 M65 L83 F91 L113 W117 Q123 V124	F46-F115 HydrophobicContact CE2-CD1 4.28Å; F46-F115 AromaticContact CE2-CD2 3.67Å; F46-F115 HydrophobicContact CE2-CD2 3.67Å; F46-F115 HydrophobicContact CE2-CE1 4.3Å; F46-F115 AromaticContact CE2-CE2 3.72Å; F46-F115 HydrophobicContact CE2-CE2 3.72Å; F46-F115 AromaticContact CE2-CG 3.97Å; F46-F115 HydrophobicContact CE2-CG 3.97Å; F46-F115 HydrophobicContact CE2-CZ 4.04Å; F46-F115 HydrophobicContact CZ-CD1 4.17Å; F46-F115 HydrophobicContact CZ-CD2 4.19Å; F46-F115 AromaticContact CZ-CE1 3.85Å; F46-F115 HydrophobicContact CZ-CE1 3.85Å; F46-F115 AromaticContact CZ-CE2 3.89Å; F46-F115 HydrophobicContact CZ-CE2 3.89Å; F46-F115 HydrophobicContact CZ-CG 4.32Å; F46-F115 AromaticContact CZ-CZ 3.72Å; F46-F115 HydrophobicContact CZ-CZ 3.72Å; M65-F115 HydrophobicContact CB-CD1 3.9Å; M65-F115 HydrophobicContact CB-CD2 4.4Å; M65-F115 HydrophobicContact CB-CE1 3.64Å; M65-F115 HydrophobicContact CB-CE2 4.15Å; M65-F115 HydrophobicContact CB-CG 4.28Å; M65-F115 HydrophobicContact CB-CZ 3.76Å; M65-F115 HydrophobicContact CG-CE1 4.31Å; M65-F115 HydrophobicContact CG-CZ 4.21Å; M65-F115 HydrophobicContact SD-CE1 4.03Å; M65-F115 HydrophobicContact SD-CE2 4.08Å; M65-F115 HydrophobicContact SD-CZ 3.43Å; M65-F115 WeakPolarHBondContact SD-CZ 3.45Å; L83-F115 HydrophobicContact CB-CE1 3.93Å; L83-F115 HydrophobicContact CB-CZ 4.1Å; L83-F115 HydrophobicContact CD1-CZ 4.38Å; L83-F115 HydrophobicContact CD2-CE1 3.86Å; L83-F115 HydrophobicContact CD2-CZ 3.84Å; L83-F115 HydrophobicContact CG-CE1 4.44Å; L83-F115 HydrophobicContact CG-CZ 4.34Å; F91-F115 HydrophobicContact CD1-CE2 4.08Å; F91-F115 HydrophobicContact CD1-CZ 4.04Å; F91-F115 HydrophobicContact CE1-CE2 4.02Å; F91-F115 HydrophobicContact CE1-CZ 4.27Å; L113-F115 HydrophobicContact CB-CE2 4.34Å; F115-W117 HydrophobicContact CB-CH2 4.19Å; F115-W117 HydrophobicContact CB-CZ2 3.76Å; F115-W117 AromaticContact CD1-CZ2 3.95Å; F115-W117 HydrophobicContact CD1-CZ2 3.95Å; F115-W117 HydrophobicContact CG-CZ2 4.08Å; F115-Q123 CarbonylContact O-C 3.48Å; F115-Q123 WeakPolarHBondContact O-CA 3.29Å; F115-Q123 VanDerWaalsContact O-CG 3.28Å; F115-Q123 WeakPolarHBondContact O-CG 3.27Å; F115-V124 HydrophobicContact CB-CB 4.45Å; F115-V124 HydrophobicContact CD2-CB 4.41Å; F115-V124 PolarHBondContact N-O 2.88Å; F115-V124 PolarHBondContact O-N 2.96Å
116	Y	98.4	Very high	97.8	Very high	106 Å²	106	43.5 Å²	43.5	42%	0.416	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	106.2	175.2	-177.5	-125.6	0	0	0	110.8	E118 R122 Q123 W204	Y116-E118 HydrophobicContact CD1-CB 4.21Å; Y116-E118 HydrophobicContact CE1-CB 3.64Å; Y116-E118 HydrophobicContact CE1-CG 3.86Å; Y116-E118 PolarHBondContact O-N 2.96Å; Y116-R122 WeakPolarHBondContact CD2-O 3.35Å; Y116-Q123 HydrophobicContact CD2-CB 4.07Å; Y116-W204 HydrophobicContact CE2-CZ3 4.44Å
117	W	98.3	Very high	98	Very high	6 Å²	6	43.2 Å²	43.2	2%	0.023	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	82.4	176.9	-53.4	-53.7	0	0	0	108.5	F46 W49 F50 A53 V59 P62 F115 P119 L120 K121 R122 V124	F46-W117 HydrophobicContact CD2-CH2 4.42Å; F46-W117 AromaticContact CE2-CH2 3.88Å; F46-W117 HydrophobicContact CE2-CH2 3.88Å; F46-W117 HydrophobicContact CE2-CZ2 4.32Å; F46-W117 HydrophobicContact CZ-CH2 4.35Å; F46-W117 HydrophobicContact CZ-CZ2 4.47Å; W49-W117 HydrophobicContact CB-CH2 4.39Å; W49-W117 HydrophobicContact CB-CZ3 3.86Å; W49-W117 HydrophobicContact CE3-CZ3 4.12Å; F50-W117 HydrophobicContact CB-CH2 4.47Å; F50-W117 HydrophobicContact CD2-CH2 4.4Å; F50-W117 AromaticContact CD2-CZ2 3.81Å; F50-W117 HydrophobicContact CD2-CZ2 3.81Å; A53-W117 HydrophobicContact CB-CD2 3.64Å; A53-W117 HydrophobicContact CB-CE3 4.19Å; A53-W117 HydrophobicContact CB-CG 3.81Å; A53-W117 HydrophobicContact CB-CZ2 4.27Å; V59-W117 HydrophobicContact CG1-CG 4.36Å; V59-W117 HydrophobicContact CG2-CB 4.24Å; P62-W117 PolarHBondContact O-NE1 3.38Å; F115-W117 HydrophobicContact CB-CH2 4.19Å; F115-W117 HydrophobicContact CB-CZ2 3.76Å; F115-W117 AromaticContact CD1-CZ2 3.95Å; F115-W117 HydrophobicContact CD1-CZ2 3.95Å; F115-W117 HydrophobicContact CG-CZ2 4.08Å; W117-P119 VanDerWaalsContact C-CD 3.48Å; W117-L120 HydrophobicContact CB-CB 4.15Å; W117-L120 HydrophobicContact CB-CD1 4.18Å; W117-L120 HydrophobicContact CB-CG 4.49Å; W117-L120 CarbonylContact O-C 3.55Å; W117-L120 WeakPolarHBondContact O-CA 3.39Å; W117-L120 PolarHBondContact O-N 2.84Å; W117-K121 PolarHBondContact O-N 3.12Å; W117-R122 HydrophobicContact CE3-CB 4.3Å; W117-R122 PolarHBondContact N-O 3.23Å; W117-R122 PolarHBondContact O-N 3.02Å; W117-V124 HydrophobicContact CH2-CG2 4.11Å; W117-V124 HydrophobicContact CZ3-CG2 3.91Å
118	E	96.5	Very high	98.1	Very high	83 Å²	83	39.7 Å²	39.7	39%	0.388	19%	0.191	S	C	.	.	G	3₁₀ helix	trans	-49.3	-46.4	-175.7	-169.9	-70.8	146.5	0	0	113.5	Y116 L120 K121	Y116-E118 HydrophobicContact CD1-CB 4.21Å; Y116-E118 HydrophobicContact CE1-CB 3.64Å; Y116-E118 HydrophobicContact CE1-CG 3.86Å; Y116-E118 PolarHBondContact O-N 2.96Å; E118-L120 VanDerWaalsContact C-N 3.27Å; E118-L120 PolarHBondContact O-N 3.28Å; E118-K121 WeakPolarHBondContact O-CD 3.4Å; E118-K121 VanDerWaalsContact O-CE 3.23Å; E118-K121 WeakPolarHBondContact O-CE 3.23Å; E118-K121 PolarHBondContact O-N 3.14Å; E118-K121 PolarHBondContact O-NZ 3.32Å; E118-K121 IonicContact OE1-NZ 3.72Å; E118-K121 PolarHBondContact OE1-NZ 3.31Å; E118-K121 IonicContact OE2-NZ 3.56Å
119	P	96.6	Very high	98.2	Very high	45 Å²	45	40.2 Å²	40.2	29%	0.292	20%	0.195	S	C	.	.	G	3₁₀ helix	trans	-61.4	-35.7	178.8	-23.3	32.1	0	0	0	113.2	N58 V59 W117 K121	N58-P119 HydrophobicContact CB-CB 3.83Å; N58-P119 HydrophobicContact CB-CG 3.72Å; N58-P119 WeakPolarHBondContact O-CG 3.36Å; V59-P119 HydrophobicContact CG2-CB 4.13Å; V59-P119 HydrophobicContact CG2-CG 3.81Å; W117-P119 VanDerWaalsContact C-CD 3.48Å; P119-K121 VanDerWaalsContact C-N 3.28Å
120	L	97.1	Very high	98.2	Very high	21 Å²	21	38.2 Å²	38.2	11%	0.11	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-82	-7.4	176.9	-67.8	176.9	0	0	0	112.7	R26 E52 A53 C56 V59 W117 E118 R122	R26-L120 VanDerWaalsContact CZ-O 3.28Å; R26-L120 PolarHBondContact NE-O 2.98Å; R26-L120 PolarHBondContact NH2-O 2.97Å; E52-L120 HydrophobicContact CB-CD1 4.49Å; A53-L120 HydrophobicContact CB-CD1 3.96Å; C56-L120 HydrophobicContact CB-CD1 4.41Å; C56-L120 HydrophobicContact CB-CD2 4.2Å; C56-L120 HydrophobicContact CB-CG 4.29Å; V59-L120 HydrophobicContact CG2-CD1 4.43Å; V59-L120 HydrophobicContact CG2-CG 4.33Å; W117-L120 HydrophobicContact CB-CB 4.15Å; W117-L120 HydrophobicContact CB-CD1 4.18Å; W117-L120 HydrophobicContact CB-CG 4.49Å; W117-L120 CarbonylContact O-C 3.55Å; W117-L120 WeakPolarHBondContact O-CA 3.39Å; W117-L120 PolarHBondContact O-N 2.84Å; E118-L120 VanDerWaalsContact C-N 3.27Å; E118-L120 PolarHBondContact O-N 3.28Å; L120-R122 HydrophobicContact CB-CB 4.3Å; L120-R122 WeakPolarHBondContact O-CG 3.45Å; L120-R122 PolarHBondContact O-N 2.71Å
121	K	97.4	Very high	98.2	Very high	32 Å²	32	34.2 Å²	34.2	14%	0.139	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.2	35.7	-177	-52.8	-59.4	158.9	-177.5	0	111.7	Y25 R26 W117 E118 P119 W204 G206	Y25-K121 HydrophobicContact CD1-CB 3.89Å; Y25-K121 HydrophobicContact CD1-CD 3.63Å; Y25-K121 HydrophobicContact CD1-CG 4.08Å; Y25-K121 HydrophobicContact CE1-CD 4.32Å; Y25-K121 HydrophobicContact CG-CD 4.27Å; R26-K121 HydrophobicContact CG-CB 4.27Å; R26-K121 HydrophobicContact CG-CG 4.49Å; W117-K121 PolarHBondContact O-N 3.12Å; E118-K121 WeakPolarHBondContact O-CD 3.4Å; E118-K121 VanDerWaalsContact O-CE 3.23Å; E118-K121 WeakPolarHBondContact O-CE 3.23Å; E118-K121 PolarHBondContact O-N 3.14Å; E118-K121 PolarHBondContact O-NZ 3.32Å; E118-K121 IonicContact OE1-NZ 3.72Å; E118-K121 PolarHBondContact OE1-NZ 3.31Å; E118-K121 IonicContact OE2-NZ 3.56Å; P119-K121 VanDerWaalsContact C-N 3.28Å; K121-W204 VanDerWaalsContact O-CZ3 3.32Å; K121-W204 WeakPolarHBondContact O-CZ3 3.34Å; K121-G206 PolarHBondContact O-N 2.78Å
122	R	98	Very high	98.2	Very high	21 Å²	21	39.4 Å²	39.4	8%	0.079	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	146.2	-174.8	-79.9	175.8	-179.6	173.1	7.2	111.3	W49 E52 Y116 W117 L120 W204 Q205	W49-R122 HydrophobicContact CE3-CB 3.93Å; W49-R122 HydrophobicContact CE3-CG 3.99Å; W49-R122 HydrophobicContact CH2-CB 4.29Å; W49-R122 HydrophobicContact CH2-CG 3.72Å; W49-R122 HydrophobicContact CZ2-CG 4.36Å; W49-R122 HydrophobicContact CZ3-CB 3.59Å; W49-R122 HydrophobicContact CZ3-CG 3.51Å; E52-R122 IonicContact OE1-NH1 2.86Å; E52-R122 IonicContact OE2-CZ 3.22Å; E52-R122 IonicContact OE2-NH1 3.6Å; E52-R122 PolarHBondContact OE2-NH1 2.93Å; E52-R122 IonicContact OE2-NH2 2.97Å; Y116-R122 WeakPolarHBondContact CD2-O 3.35Å; W117-R122 HydrophobicContact CE3-CB 4.3Å; W117-R122 PolarHBondContact N-O 3.23Å; W117-R122 PolarHBondContact O-N 3.02Å; L120-R122 HydrophobicContact CB-CB 4.3Å; L120-R122 WeakPolarHBondContact O-CG 3.45Å; L120-R122 PolarHBondContact O-N 2.71Å; R122-W204 WeakPolarHBondContact CA-O 3.4Å; R122-Q205 HydrophobicContact CG-CB 4.33Å; R122-Q205 HydrophobicContact CG-CG 4.24Å; R122-Q205 VanDerWaalsContact NH2-OE1 3.15Å
123	Q	98.5	Very high	98.1	Very high	50 Å²	50	38.6 Å²	38.6	23%	0.234	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	141.4	174.9	-179.8	-173.5	-105.2	0	0	109	V114 F115 Y116 R125 W204	V114-Q123 HydrophobicContact CG1-CG 3.66Å; F115-Q123 CarbonylContact O-C 3.48Å; F115-Q123 WeakPolarHBondContact O-CA 3.29Å; F115-Q123 VanDerWaalsContact O-CG 3.28Å; F115-Q123 WeakPolarHBondContact O-CG 3.27Å; Y116-Q123 HydrophobicContact CD2-CB 4.07Å; Q123-R125 HydrophobicContact CG-CG 4.28Å; Q123-W204 HydrophobicContact CB-CB 4.14Å; Q123-W204 HydrophobicContact CB-CD2 4.36Å; Q123-W204 HydrophobicContact CB-CE3 3.82Å; Q123-W204 PolarHBondContact N-O 2.91Å; Q123-W204 PolarHBondContact O-N 2.72Å
124	V	98.8	Very high	98	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	128.7	166.8	-171.6	0	0	0	0	108.6	F46 W49 V114 F115 W117 V126 I201 E202 F203	F46-V124 HydrophobicContact CD2-CB 4.14Å; F46-V124 HydrophobicContact CD2-CG1 3.93Å; F46-V124 HydrophobicContact CD2-CG2 4.03Å; F46-V124 HydrophobicContact CE2-CB 4.31Å; F46-V124 HydrophobicContact CE2-CG1 4.44Å; F46-V124 HydrophobicContact CE2-CG2 4.37Å; W49-V124 HydrophobicContact CE3-CG2 3.81Å; W49-V124 HydrophobicContact CZ3-CG2 4.25Å; V114-V124 WeakPolarHBondContact CA-O 3.39Å; F115-V124 HydrophobicContact CB-CB 4.45Å; F115-V124 HydrophobicContact CD2-CB 4.41Å; F115-V124 PolarHBondContact N-O 2.88Å; F115-V124 PolarHBondContact O-N 2.96Å; W117-V124 HydrophobicContact CH2-CG2 4.11Å; W117-V124 HydrophobicContact CZ3-CG2 3.91Å; V124-V126 HydrophobicContact CG1-CG2 4.23Å; V124-I201 HydrophobicContact CG1-CG2 3.65Å; V124-E202 CarbonylContact C-O 3.55Å; V124-E202 WeakPolarHBondContact CA-O 3.48Å; V124-F203 HydrophobicContact CG1-CD1 4.38Å; V124-F203 HydrophobicContact CG1-CE1 4.17Å; V124-F203 HydrophobicContact CG1-CZ 4.41Å; V124-F203 HydrophobicContact CG2-CD1 3.83Å; V124-F203 HydrophobicContact CG2-CE1 3.92Å
125	R	98.8	Very high	97.9	Very high	74 Å²	74	44.8 Å²	44.8	28%	0.279	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	131.8	173.4	-57.7	169.8	55.3	-159.4	-2.3	108.8	L113 V114 Q123 E127 I201 E202	L113-R125 CarbonylContact O-C 3.53Å; L113-R125 WeakPolarHBondContact O-CA 3.45Å; V114-R125 HydrophobicContact CG2-CG 4.2Å; Q123-R125 HydrophobicContact CG-CG 4.28Å; R125-E127 IonicContact NH2-OE1 3.64Å; R125-E127 PolarHBondContact NH2-OE1 3.44Å; R125-I201 CarbonylContact O-C 3.58Å; R125-I201 WeakPolarHBondContact O-CA 3.39Å; R125-E202 HydrophobicContact CB-CB 4.26Å; R125-E202 IonicContact CZ-OE2 3.39Å; R125-E202 PolarHBondContact N-O 2.91Å; R125-E202 IonicContact NE-OE2 2.87Å; R125-E202 IonicContact NH1-OE1 2.87Å; R125-E202 IonicContact NH1-OE2 3Å; R125-E202 PolarHBondContact NH1-OE2 3.42Å; R125-E202 PolarHBondContact O-N 3.49Å
126	V	98.9	Very high	97.8	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	136.4	178.7	-175	0	0	0	0	108.1	F91 S112 L113 V124 L196 P198 S200 I201	F91-V126 HydrophobicContact CD2-CG1 3.96Å; F91-V126 HydrophobicContact CE1-CG2 4.11Å; F91-V126 HydrophobicContact CE2-CB 4.42Å; F91-V126 HydrophobicContact CE2-CG1 3.71Å; F91-V126 HydrophobicContact CE2-CG2 3.88Å; F91-V126 HydrophobicContact CZ-CG1 4.37Å; F91-V126 HydrophobicContact CZ-CG2 3.66Å; S112-V126 CarbonylContact C-O 3.6Å; S112-V126 WeakPolarHBondContact CA-O 3.47Å; S112-V126 PolarHBondContact OG-O 2.81Å; S112-V126 VanDerWaalsContact OG-O 3.09Å; L113-V126 HydrophobicContact CB-CB 4.13Å; L113-V126 PolarHBondContact N-O 2.99Å; L113-V126 PolarHBondContact O-N 3.22Å; V124-V126 HydrophobicContact CG1-CG2 4.23Å; V126-L196 HydrophobicContact CG1-CD2 3.63Å; V126-P198 HydrophobicContact CG1-CB 3.76Å; V126-S200 WeakPolarHBondContact CA-O 3.17Å; V126-I201 HydrophobicContact CG1-CG1 4.17Å; V126-I201 HydrophobicContact CG2-CG1 4.34Å; V126-I201 HydrophobicContact CG2-CG2 4.37Å
127	E	98.7	Very high	97.7	Very high	82 Å²	82	46.9 Å²	46.9	38%	0.383	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	134.7	174.1	-67.2	168.4	-173.4	0	0	108.3	R125 K199 S200	R125-E127 IonicContact NH2-OE1 3.64Å; R125-E127 PolarHBondContact NH2-OE1 3.44Å; E127-K199 PolarHBondContact O-N 3.24Å; E127-S200 PolarHBondContact N-O 2.69Å; E127-S200 PolarHBondContact O-N 3.47Å
128	G	98.3	Very high	97.7	Very high	6 Å²	6	46.8 Å²	46.8	6%	0.062	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-175.9	-172.6	-175.2	0	0	0	0	0	114.8	Y110 A111 S197	Y110-G128 WeakPolarHBondContact CA-O 3.27Å; A111-G128 PolarHBondContact N-O 2.98Å; A111-G128 VanDerWaalsContact N-O 3.14Å; A111-G128 PolarHBondContact O-N 3.4Å; G128-S197 VanDerWaalsContact CA-O 3.32Å; G128-S197 WeakPolarHBondContact CA-O 3.41Å
129	V	98.3	Very high	97.7	Very high	49 Å²	49	45.9 Å²	45.9	30%	0.297	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	138.8	179.1	-176.3	0	0	0	0	108.4	P109 Y110 L196 S197	P109-V129 HydrophobicContact CB-CG1 4.45Å; P109-V129 CarbonylContact O-C 3.43Å; P109-V129 VanDerWaalsContact O-CA 3.27Å; P109-V129 WeakPolarHBondContact O-CA 3.49Å; P109-V129 WeakPolarHBondContact O-CG1 3.48Å; Y110-V129 HydrophobicContact CD1-CG2 4.06Å; Y110-V129 HydrophobicContact CE1-CG2 3.73Å; V129-L196 CarbonylContact O-C 3.53Å; V129-L196 WeakPolarHBondContact O-CA 3.36Å; V129-S197 PolarHBondContact N-O 2.94Å; V129-S197 VanDerWaalsContact N-O 3.11Å; V129-S197 PolarHBondContact O-N 3.01Å
130	V	98.6	Very high	97.7	Very high	11 Å²	11	50 Å²	50	7%	0.067	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	131.5	-178.9	178.3	0	0	0	0	110.4	F93 L105 P109 A111 Y194 I195 L196	F93-V130 HydrophobicContact CZ-CG1 4.37Å; L105-V130 HydrophobicContact CD1-CG1 4.11Å; L105-V130 HydrophobicContact CD2-CB 3.89Å; L105-V130 HydrophobicContact CD2-CG1 4.1Å; L105-V130 HydrophobicContact CD2-CG2 3.9Å; P109-V130 PolarHBondContact O-N 3.01Å; A111-V130 HydrophobicContact CB-CG2 3.58Å; V130-Y194 HydrophobicContact CG1-CD1 3.51Å; V130-Y194 HydrophobicContact CG1-CE1 4.39Å; V130-Y194 HydrophobicContact CG1-CG 3.96Å; V130-I195 VanDerWaalsContact CA-O 3.29Å; V130-I195 WeakPolarHBondContact CA-O 3.37Å; V130-L196 HydrophobicContact CG2-CB 4.03Å; V130-L196 HydrophobicContact CG2-CD1 4.24Å; V130-L196 HydrophobicContact CG2-CG 4Å
131	S	98.2	Very high	97.7	Very high	57 Å²	57	51.7 Å²	51.7	40%	0.399	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	160.8	168.7	57.6	0	0	0	0	110.5	Y194 I195	S131-Y194 CarbonylContact O-C 3.43Å; S131-Y194 VanDerWaalsContact O-CA 3.24Å; S131-Y194 WeakPolarHBondContact O-CA 3.41Å; S131-I195 PolarHBondContact N-O 3.1Å; S131-I195 PolarHBondContact O-N 3.39Å
132	R	97.7	Very high	97.7	Very high	120 Å²	120	50.1 Å²	50.1	45%	0.453	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	143.5	170.3	-66	-176.1	-177.8	-164.2	-0.9	109.7	Y97 D106 Y194	Y97-R132 HydrophobicContact CE1-CG 4.22Å; D106-R132 IonicContact OD1-CZ 3.66Å; D106-R132 IonicContact OD1-NE 3.9Å; D106-R132 IonicContact OD1-NH2 2.72Å; D106-R132 PolarHBondContact OD1-NH2 3.07Å; D106-R132 IonicContact OD2-NH2 3.61Å; D106-R132 PolarHBondContact OD2-NH2 3.33Å; R132-Y194 HydrophobicContact CG-CD1 4.14Å; R132-Y194 HydrophobicContact CG-CE1 3.82Å
133	A	97.1	Very high	97.6	Very high	8 Å²	8	51.4 Å²	51.4	7%	0.066	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-69	157.4	167.9	0	0	0	0	0	110.4	E137 N138 G193 I195	A133-E137 HydrophobicContact CB-CB 4.28Å; A133-N138 PolarHBondContact O-ND2 2.91Å; A133-G193 PolarHBondContact N-O 3.44Å; A133-I195 HydrophobicContact CB-CD1 4.36Å; A133-I195 HydrophobicContact CB-CG1 4.25Å
134	S	96.7	Very high	97.4	Very high	55 Å²	55	52.9 Å²	52.9	39%	0.385	27%	0.271	S	S	.	.	P	Polyproline II helix	trans	-65.6	158.2	177.6	71.1	0	0	0	0	111.8	V136 E137 N138	S134-V136 PolarHBondContact O-N 3.41Å; S134-E137 WeakPolarHBondContact CA-OE2 3.3Å; S134-E137 WeakPolarHBondContact CB-OE2 3.37Å; S134-E137 PolarHBondContact N-OE2 2.77Å; S134-E137 PolarHBondContact O-N 3.19Å; S134-E137 VanDerWaalsContact OG-CG 3.3Å; S134-E137 WeakPolarHBondContact OG-CG 3.5Å; S134-E137 PolarHBondContact OG-N 2.84Å; S134-E137 PolarHBondContact OG-OE2 3.24Å; S134-N138 WeakPolarHBondContact O-CB 3.27Å; S134-N138 PolarHBondContact O-N 2.96Å; S134-N138 PolarHBondContact O-ND2 3.04Å; S134-N138 VanDerWaalsContact O-ND2 3.12Å
135	E	96.8	Very high	97.3	Very high	115 Å²	115	55 Å²	55	54%	0.537	28%	0.279	S	S	.	.	H	α-helix	trans	-63.7	-29	178	-172.7	59	-170.6	0	0	112.5	E139 K187	E135-E139 WeakPolarHBondContact O-CB 3.3Å; E135-E139 PolarHBondContact O-N 2.87Å; E135-K187 WeakPolarHBondContact OE1-CE 3.42Å; E135-K187 IonicContact OE1-NZ 3.92Å; E135-K187 PolarHBondContact OE1-NZ 2.84Å; E135-K187 IonicContact OE2-NZ 3.27Å; E135-K187 PolarHBondContact OE2-NZ 2.88Å
136	V	97	Very high	97	Very high	91 Å²	91	55.9 Å²	55.9	55%	0.552	29%	0.294	S	S	*	.	H	α-helix	trans	-65.9	-52.7	175	177.5	0	0	0	0	110.5	S134 N138 E139 E140	S134-V136 PolarHBondContact O-N 3.41Å; V136-N138 VanDerWaalsContact C-N 3.25Å; V136-N138 PolarHBondContact O-N 3.49Å; V136-E139 PolarHBondContact O-N 2.89Å; V136-E140 HydrophobicContact CG1-CG 4.39Å; V136-E140 WeakPolarHBondContact O-CB 3.43Å; V136-E140 WeakPolarHBondContact O-CG 3.39Å; V136-E140 PolarHBondContact O-N 2.64Å
137	E	96.2	Very high	96.7	Very high	59 Å²	59	59.5 Å²	59.5	28%	0.276	31%	0.31	S	S	.	.	H	α-helix	trans	-58.5	-39.9	176.8	-70	163	116.9	0	0	111.5	H92 A133 S134 Y141	H92-E137 IonicContact CE1-OE1 2.79Å; A133-E137 HydrophobicContact CB-CB 4.28Å; S134-E137 WeakPolarHBondContact CA-OE2 3.3Å; S134-E137 WeakPolarHBondContact CB-OE2 3.37Å; S134-E137 PolarHBondContact N-OE2 2.77Å; S134-E137 PolarHBondContact O-N 3.19Å; S134-E137 VanDerWaalsContact OG-CG 3.3Å; S134-E137 WeakPolarHBondContact OG-CG 3.5Å; S134-E137 PolarHBondContact OG-N 2.84Å; S134-E137 PolarHBondContact OG-OE2 3.24Å; E137-Y141 WeakPolarHBondContact O-CB 3.2Å; E137-Y141 PolarHBondContact O-N 3.19Å
138	N	97.4	Very high	96.4	Very high	3 Å²	3	57.8 Å²	57.8	2%	0.016	31%	0.31	C	S	.	.	H	α-helix	trans	-61.9	-47.4	177	-68.9	-29.9	0	0	0	112.1	Y97 A133 S134 V136 F142 K187 G193	Y97-N138 PolarHBondContact OH-ND2 3.31Å; A133-N138 PolarHBondContact O-ND2 2.91Å; S134-N138 WeakPolarHBondContact O-CB 3.27Å; S134-N138 PolarHBondContact O-N 2.96Å; S134-N138 PolarHBondContact O-ND2 3.04Å; S134-N138 VanDerWaalsContact O-ND2 3.12Å; V136-N138 VanDerWaalsContact C-N 3.25Å; V136-N138 PolarHBondContact O-N 3.49Å; N138-F142 VanDerWaalsContact O-CB 3.23Å; N138-F142 WeakPolarHBondContact O-CB 3.47Å; N138-F142 PolarHBondContact O-N 3.18Å; N138-K187 HydrophobicContact CB-CD 3.79Å; N138-K187 WeakPolarHBondContact O-CD 3.32Å; N138-G193 WeakPolarHBondContact OD1-CA 3.28Å; N138-G193 PolarHBondContact OD1-N 2.8Å
139	E	97	Very high	96.2	Very high	65 Å²	65	59.7 Å²	59.7	30%	0.304	32%	0.322	S	S	.	.	H	α-helix	trans	-67.5	-47.5	-179.3	-168.6	61.3	-151.4	0	0	111.1	E135 V136 Y141 F142 Q143 K187	E135-E139 WeakPolarHBondContact O-CB 3.3Å; E135-E139 PolarHBondContact O-N 2.87Å; V136-E139 PolarHBondContact O-N 2.89Å; E139-Y141 PolarHBondContact O-N 2.81Å; E139-F142 PolarHBondContact O-N 3.11Å; E139-Q143 HydrophobicContact CG-CG 4.34Å; E139-Q143 WeakPolarHBondContact O-CB 3.32Å; E139-Q143 VanDerWaalsContact O-CG 3.27Å; E139-Q143 WeakPolarHBondContact O-CG 3.33Å; E139-Q143 PolarHBondContact O-N 2.81Å; E139-Q143 WeakPolarHBondContact OE1-CG 3.4Å; E139-Q143 PolarHBondContact OE1-NE2 2.89Å; E139-K187 WeakPolarHBondContact OE2-CB 3.46Å; E139-K187 WeakPolarHBondContact OE2-CE 3.49Å
140	E	96.8	Very high	96	Very high	131 Å²	131	57.8 Å²	57.8	61%	0.612	31%	0.31	S	S	*	.	H	α-helix	trans	-56.6	-49.5	177.2	-73.4	178.4	173.2	0	0	111.4	V136 Q143 S144	V136-E140 HydrophobicContact CG1-CG 4.39Å; V136-E140 WeakPolarHBondContact O-CB 3.43Å; V136-E140 WeakPolarHBondContact O-CG 3.39Å; V136-E140 PolarHBondContact O-N 2.64Å; E140-Q143 PolarHBondContact O-N 2.84Å; E140-S144 PolarHBondContact O-N 2.9Å
141	Y	96.5	Very high	95.8	Very high	56 Å²	56	57.3 Å²	57.3	22%	0.22	31%	0.308	C	S	.	.	H	α-helix	trans	-66.3	-41.6	178.2	-175.4	-115.6	0	0	0	111.7	K84 F94 E137 E139 Q143 S144 R145 W191	K84-Y141 HydrophobicContact CB-CE2 4.47Å; K84-Y141 HydrophobicContact CD-CE2 4.35Å; K84-Y141 WeakPolarHBondContact CD-OH 3.37Å; K84-Y141 WeakPolarHBondContact CE-OH 3.38Å; K84-Y141 HydrophobicContact CG-CE1 4.18Å; K84-Y141 HydrophobicContact CG-CE2 4.3Å; F94-Y141 HydrophobicContact CB-CD1 4.14Å; F94-Y141 HydrophobicContact CB-CE1 3.94Å; F94-Y141 AromaticContact CD1-CD1 3.44Å; F94-Y141 HydrophobicContact CD1-CD1 3.44Å; F94-Y141 VanDerWaalsContact CD1-CD1 3.44Å; F94-Y141 HydrophobicContact CD1-CE1 4.12Å; F94-Y141 HydrophobicContact CD1-CG 4.31Å; F94-Y141 AromaticContact CD2-CD1 3.32Å; F94-Y141 HydrophobicContact CD2-CD1 3.32Å; F94-Y141 AromaticContact CD2-CE1 3.41Å; F94-Y141 HydrophobicContact CD2-CE1 3.41Å; F94-Y141 VanDerWaalsContact CD2-CE1 3.41Å; F94-Y141 HydrophobicContact CD2-CG 4.11Å; F94-Y141 AromaticContact CE1-CD1 3.53Å; F94-Y141 HydrophobicContact CE1-CD1 3.53Å; F94-Y141 AromaticContact CE1-CG 3.95Å; F94-Y141 HydrophobicContact CE1-CG 3.95Å; F94-Y141 AromaticContact CE2-CD1 3.41Å; F94-Y141 HydrophobicContact CE2-CD1 3.41Å; F94-Y141 VanDerWaalsContact CE2-CD1 3.41Å; F94-Y141 HydrophobicContact CE2-CD2 4.36Å; F94-Y141 AromaticContact CE2-CE1 3.88Å; F94-Y141 HydrophobicContact CE2-CE1 3.88Å; F94-Y141 AromaticContact CE2-CG 3.72Å; F94-Y141 HydrophobicContact CE2-CG 3.72Å; F94-Y141 AromaticContact CG-CD1 3.34Å; F94-Y141 HydrophobicContact CG-CD1 3.34Å; F94-Y141 AromaticContact CG-CE1 3.55Å; F94-Y141 HydrophobicContact CG-CE1 3.55Å; F94-Y141 HydrophobicContact CG-CG 4.4Å; F94-Y141 AromaticContact CZ-CD1 3.51Å; F94-Y141 HydrophobicContact CZ-CD1 3.51Å; F94-Y141 HydrophobicContact CZ-CE1 4.42Å; F94-Y141 AromaticContact CZ-CG 3.63Å; F94-Y141 HydrophobicContact CZ-CG 3.63Å; E137-Y141 WeakPolarHBondContact O-CB 3.2Å; E137-Y141 PolarHBondContact O-N 3.19Å; E139-Y141 PolarHBondContact O-N 2.81Å; Y141-Q143 PolarHBondContact O-N 2.99Å; Y141-S144 PolarHBondContact O-N 2.93Å; Y141-S144 PolarHBondContact O-OG 2.96Å; Y141-R145 HydrophobicContact CE1-CG 4.35Å; Y141-R145 WeakPolarHBondContact O-CG 3.48Å; Y141-R145 PolarHBondContact O-N 2.96Å; Y141-W191 AromaticContact CD1-CH2 3.56Å; Y141-W191 HydrophobicContact CD1-CH2 3.56Å; Y141-W191 HydrophobicContact CD1-CZ2 4.2Å; Y141-W191 HydrophobicContact CE1-CH2 4.01Å; Y141-W191 HydrophobicContact CE1-CZ2 4.19Å
142	F	96.7	Very high	95.5	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-59.4	-46.5	177.4	-174	-94.7	0	0	0	111.9	N138 E139 S144 R145 Q150 A153 L185 K187 P188 W191	N138-F142 VanDerWaalsContact O-CB 3.23Å; N138-F142 WeakPolarHBondContact O-CB 3.47Å; N138-F142 PolarHBondContact O-N 3.18Å; E139-F142 PolarHBondContact O-N 3.11Å; F142-S144 VanDerWaalsContact C-N 3.29Å; F142-S144 PolarHBondContact O-N 3.3Å; F142-R145 WeakPolarHBondContact O-CB 3.35Å; F142-R145 PolarHBondContact O-N 2.93Å; F142-Q150 HydrophobicContact CD1-CG 4.24Å; F142-Q150 HydrophobicContact CE1-CB 3.92Å; F142-Q150 HydrophobicContact CE1-CG 3.8Å; F142-Q150 HydrophobicContact CE2-CB 4.21Å; F142-Q150 HydrophobicContact CE2-CG 4.33Å; F142-Q150 HydrophobicContact CZ-CB 3.58Å; F142-Q150 HydrophobicContact CZ-CG 3.86Å; F142-Q150 WeakPolarHBondContact O-CG 3.39Å; F142-Q150 PolarHBondContact O-NE2 2.58Å; F142-A153 HydrophobicContact CE2-CB 4.36Å; F142-L185 HydrophobicContact CE1-CB 4.07Å; F142-L185 WeakPolarHBondContact CE1-O 3.41Å; F142-L185 HydrophobicContact CZ-CB 4.43Å; F142-K187 HydrophobicContact CB-CB 4.13Å; F142-K187 HydrophobicContact CB-CD 3.87Å; F142-K187 HydrophobicContact CB-CG 3.91Å; F142-K187 HydrophobicContact CD1-CB 3.77Å; F142-K187 HydrophobicContact CD1-CG 4.27Å; F142-K187 HydrophobicContact CD2-CB 4.24Å; F142-K187 HydrophobicContact CD2-CG 3.87Å; F142-K187 HydrophobicContact CE1-CB 4.23Å; F142-K187 HydrophobicContact CE2-CG 4.48Å; F142-K187 HydrophobicContact CG-CB 3.78Å; F142-K187 HydrophobicContact CG-CD 4.29Å; F142-K187 HydrophobicContact CG-CG 3.75Å; F142-P188 HydrophobicContact CE2-CG 4.37Å; F142-W191 HydrophobicContact CB-CE3 4.37Å; F142-W191 HydrophobicContact CB-CH2 4.07Å; F142-W191 HydrophobicContact CB-CZ3 3.67Å; F142-W191 HydrophobicContact CD2-CD2 4.19Å; F142-W191 AromaticContact CD2-CE3 3.84Å; F142-W191 HydrophobicContact CD2-CE3 3.84Å; F142-W191 HydrophobicContact CD2-CH2 4.06Å; F142-W191 HydrophobicContact CD2-CZ2 4.44Å; F142-W191 AromaticContact CD2-CZ3 3.8Å; F142-W191 HydrophobicContact CD2-CZ3 3.8Å; F142-W191 HydrophobicContact CG-CZ3 4.22Å
143	Q	96.2	Very high	95.1	Very high	48 Å²	48	52.7 Å²	52.7	22%	0.224	30%	0.295	C	S	.	.	H	α-helix	trans	-69.5	-25.5	-179.8	-63	-55.6	-29.8	0	0	112.7	E139 E140 Y141 R145 Q150 L185	E139-Q143 HydrophobicContact CG-CG 4.34Å; E139-Q143 WeakPolarHBondContact O-CB 3.32Å; E139-Q143 VanDerWaalsContact O-CG 3.27Å; E139-Q143 WeakPolarHBondContact O-CG 3.33Å; E139-Q143 PolarHBondContact O-N 2.81Å; E139-Q143 WeakPolarHBondContact OE1-CG 3.4Å; E139-Q143 PolarHBondContact OE1-NE2 2.89Å; E140-Q143 PolarHBondContact O-N 2.84Å; Y141-Q143 PolarHBondContact O-N 2.99Å; Q143-R145 VanDerWaalsContact C-N 3.25Å; Q143-R145 PolarHBondContact O-N 3.09Å; Q143-Q150 PolarHBondContact O-NE2 3.49Å; Q143-L185 PolarHBondContact NE2-O 3.44Å
144	S	95.5	Very high	94.7	Very high	81 Å²	81	54.8 Å²	54.8	57%	0.566	31%	0.306	S	S	*	.	H	α-helix	trans	-68.9	-21.1	173.5	81.4	0	0	0	0	114	E140 Y141 F142	E140-S144 PolarHBondContact O-N 2.9Å; Y141-S144 PolarHBondContact O-N 2.93Å; Y141-S144 PolarHBondContact O-OG 2.96Å; F142-S144 VanDerWaalsContact C-N 3.29Å; F142-S144 PolarHBondContact O-N 3.3Å
145	R	95	Very high	94.2	Very high	43 Å²	43	52.6 Å²	52.6	16%	0.162	29%	0.291	C	S	.	.	S	Bend	trans	-75.2	147.8	-173.9	-67.1	165.4	71.8	-143.4	-4.2	111	Y141 F142 Q143 K147 S149 Q150	Y141-R145 HydrophobicContact CE1-CG 4.35Å; Y141-R145 WeakPolarHBondContact O-CG 3.48Å; Y141-R145 PolarHBondContact O-N 2.96Å; F142-R145 WeakPolarHBondContact O-CB 3.35Å; F142-R145 PolarHBondContact O-N 2.93Å; Q143-R145 VanDerWaalsContact C-N 3.25Å; Q143-R145 PolarHBondContact O-N 3.09Å; R145-K147 PolarHBondContact O-N 3.01Å; R145-S149 PolarHBondContact NH2-O 2.98Å; R145-Q150 HydrophobicContact CB-CG 4.14Å; R145-Q150 PolarHBondContact O-NE2 3.23Å; R145-Q150 VanDerWaalsContact O-NE2 3.1Å
146	P	93.6	Very high	93.4	Very high	93 Å²	93	49.1 Å²	49.1	60%	0.604	28%	0.279	S	S	*	.			trans	-54.1	143.1	170.6	-24.6	33.7	0	0	0	111.4	A148 S149 Q150	P146-A148 PolarHBondContact O-N 2.71Å; P146-A148 VanDerWaalsContact O-N 3.13Å; P146-S149 WeakPolarHBondContact O-CA 3.48Å; P146-S149 VanDerWaalsContact O-CB 3.26Å; P146-S149 WeakPolarHBondContact O-CB 3.48Å; P146-S149 PolarHBondContact O-N 3.18Å; P146-Q150 PolarHBondContact O-N 3.05Å
147	K	92.2	Very high	92.7	Very high	76 Å²	76	46.3 Å²	46.3	33%	0.33	26%	0.264	S	S	.	.	H	α-helix	trans	-51.6	-40.5	-177.6	-168.1	168	-176.7	165.4	0	113.4	R145 S149 Q150 I151 Y179 A180 K182 L185	R145-K147 PolarHBondContact O-N 3.01Å; K147-S149 VanDerWaalsContact C-N 3.29Å; K147-S149 PolarHBondContact O-N 2.84Å; K147-Q150 WeakPolarHBondContact O-CB 3.37Å; K147-Q150 PolarHBondContact O-N 3.15Å; K147-Q150 VanDerWaalsContact O-N 3.17Å; K147-I151 HydrophobicContact CG-CD1 4.18Å; K147-I151 WeakPolarHBondContact O-CG1 3.43Å; K147-I151 PolarHBondContact O-N 3.22Å; K147-Y179 WeakPolarHBondContact CE-O 3.33Å; K147-Y179 PolarHBondContact NZ-O 3.02Å; K147-A180 PolarHBondContact NZ-O 3.09Å; K147-K182 PolarHBondContact NZ-O 2.78Å; K147-L185 HydrophobicContact CG-CD1 4.27Å
148	A	92.8	Very high	92.2	Very high	46 Å²	46	46.5 Å²	46.5	38%	0.38	26%	0.264	S	S	.	.	H	α-helix	trans	-59.7	-36.8	174.7	0	0	0	0	0	113.3	P146 S152 Y172	P146-A148 PolarHBondContact O-N 2.71Å; P146-A148 VanDerWaalsContact O-N 3.13Å; A148-S152 WeakPolarHBondContact O-CB 3.48Å; A148-S152 PolarHBondContact O-N 2.89Å; A148-S152 PolarHBondContact O-OG 2.85Å; A148-Y172 WeakPolarHBondContact CA-OH 3.32Å; A148-Y172 WeakPolarHBondContact CB-OH 3.25Å
149	S	93.1	Very high	91.5	Very high	46 Å²	46	50.2 Å²	50.2	32%	0.322	29%	0.291	S	S	.	.	H	α-helix	trans	-72.7	-36.9	175.6	-72.5	0	0	0	0	112.3	R145 P146 K147 A153	R145-S149 PolarHBondContact NH2-O 2.98Å; P146-S149 WeakPolarHBondContact O-CA 3.48Å; P146-S149 VanDerWaalsContact O-CB 3.26Å; P146-S149 WeakPolarHBondContact O-CB 3.48Å; P146-S149 PolarHBondContact O-N 3.18Å; K147-S149 VanDerWaalsContact C-N 3.29Å; K147-S149 PolarHBondContact O-N 2.84Å; S149-A153 PolarHBondContact O-N 3.05Å; S149-A153 VanDerWaalsContact O-N 3.12Å
150	Q	94.7	Very high	91.1	Very high	9 Å²	9	52.7 Å²	52.7	4%	0.042	30%	0.302	C	S	.	.	H	α-helix	trans	-60.9	-51.3	172.5	-65.4	175.1	-5.9	0	0	110.2	F142 Q143 R145 P146 K147 S152 A153 T154 L185	F142-Q150 HydrophobicContact CD1-CG 4.24Å; F142-Q150 HydrophobicContact CE1-CB 3.92Å; F142-Q150 HydrophobicContact CE1-CG 3.8Å; F142-Q150 HydrophobicContact CE2-CB 4.21Å; F142-Q150 HydrophobicContact CE2-CG 4.33Å; F142-Q150 HydrophobicContact CZ-CB 3.58Å; F142-Q150 HydrophobicContact CZ-CG 3.86Å; F142-Q150 WeakPolarHBondContact O-CG 3.39Å; F142-Q150 PolarHBondContact O-NE2 2.58Å; Q143-Q150 PolarHBondContact O-NE2 3.49Å; R145-Q150 HydrophobicContact CB-CG 4.14Å; R145-Q150 PolarHBondContact O-NE2 3.23Å; R145-Q150 VanDerWaalsContact O-NE2 3.1Å; P146-Q150 PolarHBondContact O-N 3.05Å; K147-Q150 WeakPolarHBondContact O-CB 3.37Å; K147-Q150 PolarHBondContact O-N 3.15Å; K147-Q150 VanDerWaalsContact O-N 3.17Å; Q150-S152 PolarHBondContact O-N 3.45Å; Q150-A153 PolarHBondContact O-N 3.39Å; Q150-T154 PolarHBondContact O-N 3.41Å; Q150-T154 PolarHBondContact O-OG1 3.5Å; Q150-L185 HydrophobicContact CB-CB 4.4Å; Q150-L185 HydrophobicContact CB-CD2 4.11Å
151	I	93.8	Very high	90.8	Very high	2 Å²	2	52.8 Å²	52.8	1%	0.01	31%	0.314	C	S	.	.	H	α-helix	trans	-56.8	-49.6	176.7	-67.1	163.8	0	0	0	110.5	K147 A153 T154 V155 Y172 L175 E176 L185	K147-I151 HydrophobicContact CG-CD1 4.18Å; K147-I151 WeakPolarHBondContact O-CG1 3.43Å; K147-I151 PolarHBondContact O-N 3.22Å; I151-A153 PolarHBondContact O-N 2.92Å; I151-T154 WeakPolarHBondContact O-CA 3.03Å; I151-T154 WeakPolarHBondContact O-CB 3.18Å; I151-T154 PolarHBondContact O-N 2.83Å; I151-V155 HydrophobicContact CG2-CG2 4.02Å; I151-V155 WeakPolarHBondContact O-CG2 3.28Å; I151-V155 PolarHBondContact O-N 2.87Å; I151-Y172 HydrophobicContact CB-CE2 4.06Å; I151-Y172 HydrophobicContact CG2-CD2 3.57Å; I151-Y172 HydrophobicContact CG2-CE2 3.58Å; I151-Y172 HydrophobicContact CG2-CG 4.07Å; I151-L175 HydrophobicContact CG2-CB 3.87Å; I151-L175 HydrophobicContact CG2-CD1 4.33Å; I151-E176 HydrophobicContact CD1-CB 4.11Å; I151-E176 HydrophobicContact CD1-CG 4.36Å; I151-L185 HydrophobicContact CB-CD2 4.41Å; I151-L185 HydrophobicContact CG1-CD1 4.47Å; I151-L185 HydrophobicContact CG1-CD2 3.63Å
152	S	92.5	Very high	90.6	Very high	65 Å²	65	53.3 Å²	53.3	46%	0.455	32%	0.32	S	S	.	.	H	α-helix	trans	-58.6	-33.8	-179	-61.6	0	0	0	0	113.3	A148 Q150 T154	A148-S152 WeakPolarHBondContact O-CB 3.48Å; A148-S152 PolarHBondContact O-N 2.89Å; A148-S152 PolarHBondContact O-OG 2.85Å; Q150-S152 PolarHBondContact O-N 3.45Å; S152-T154 PolarHBondContact O-N 2.85Å
153	A	90.4	Very high	90.3	Very high	15 Å²	15	58.5 Å²	58.5	12%	0.124	35%	0.354	C	S	.	.	H	α-helix	trans	-70.2	-21.5	175.7	0	0	0	0	0	113	F142 S149 Q150 I151	F142-A153 HydrophobicContact CE2-CB 4.36Å; S149-A153 PolarHBondContact O-N 3.05Å; S149-A153 VanDerWaalsContact O-N 3.12Å; Q150-A153 PolarHBondContact O-N 3.39Å; I151-A153 PolarHBondContact O-N 2.92Å
154	T	88.2	Confident	90.2	Very high	51 Å²	51	58.9 Å²	58.9	31%	0.313	36%	0.361	S	S	.	.	H	α-helix	trans	-95	-26.8	-179	-50.5	0	0	0	0	112.9	Q150 I151 S152 S156 L175 P188	Q150-T154 PolarHBondContact O-N 3.41Å; Q150-T154 PolarHBondContact O-OG1 3.5Å; I151-T154 WeakPolarHBondContact O-CA 3.03Å; I151-T154 WeakPolarHBondContact O-CB 3.18Å; I151-T154 PolarHBondContact O-N 2.83Å; S152-T154 PolarHBondContact O-N 2.85Å; T154-S156 VanDerWaalsContact C-N 3.3Å; T154-S156 PolarHBondContact O-N 3.1Å; T154-L175 HydrophobicContact CG2-CD1 3.92Å; T154-L175 HydrophobicContact CG2-CD2 4.35Å; T154-P188 HydrophobicContact CG2-CG 4.33Å; T154-P188 VanDerWaalsContact OG1-CG 3.28Å; T154-P188 WeakPolarHBondContact OG1-CG 3.46Å
155	V	86.1	Confident	90.1	Very high	10 Å²	10	63 Å²	63	6%	0.061	36%	0.364	C	S	.	.	H	α-helix	trans	-56.7	-39.1	-174.6	164.1	0	0	0	0	113.4	I151 L168 K171 Y172 L175	I151-V155 HydrophobicContact CG2-CG2 4.02Å; I151-V155 WeakPolarHBondContact O-CG2 3.28Å; I151-V155 PolarHBondContact O-N 2.87Å; V155-L168 HydrophobicContact CG1-CB 4.2Å; V155-L168 HydrophobicContact CG1-CD2 3.72Å; V155-K171 HydrophobicContact CG1-CB 3.97Å; V155-K171 VanDerWaalsContact O-CD 3.24Å; V155-K171 WeakPolarHBondContact O-CD 3.32Å; V155-Y172 HydrophobicContact CG2-CD2 4Å; V155-Y172 HydrophobicContact CG2-CG 4.39Å; V155-L175 HydrophobicContact CG2-CD1 3.88Å
156	S	80.5	Confident	90.2	Very high	41 Å²	41	66 Å²	66	29%	0.287	38%	0.38	S	S	.	.	S	Bend	trans	-151	149.8	-175.9	64.7	0	0	0	0	113.2	T154 Q158	T154-S156 VanDerWaalsContact C-N 3.3Å; T154-S156 PolarHBondContact O-N 3.1Å; S156-Q158 PolarHBondContact O-N 2.97Å
157	S	82	Confident	90.1	Very high	33 Å²	33	64.7 Å²	64.7	23%	0.231	37%	0.365	C	S	.	.			trans	-68.6	120.6	166.3	-62.3	0	0	0	0	109.3	S159 E160	S157-S159 PolarHBondContact O-N 3.35Å; S157-E160 WeakPolarHBondContact CB-OE1 3.18Å; S157-E160 VanDerWaalsContact CB-OE2 3.26Å; S157-E160 WeakPolarHBondContact CB-OE2 3.32Å; S157-E160 PolarHBondContact O-N 2.66Å; S157-E160 PolarHBondContact OG-OE1 3.25Å; S157-E160 PolarHBondContact OG-OE2 2.86Å
158	Q	85.8	Confident	90.2	Very high	62 Å²	62	63.2 Å²	63.2	29%	0.29	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	129.9	-178	-171	-172.4	-19.5	0	0	111.3	T95 N96 S156 E160	T95-Q158 PolarHBondContact OG1-OE1 2.78Å; N96-Q158 HydrophobicContact CB-CB 3.8Å; S156-Q158 PolarHBondContact O-N 2.97Å; Q158-E160 VanDerWaalsContact C-N 3.34Å
159	S	82.9	Confident	90.3	Very high	81 Å²	81	64.1 Å²	64.1	57%	0.566	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.9	3.4	179.4	-25.8	0	0	0	0	115.8	S157	S157-S159 PolarHBondContact O-N 3.35Å
160	E	87.2	Confident	90.4	Very high	118 Å²	118	68.8 Å²	68.8	55%	0.551	37%	0.373	S	S	*	.			trans	-79	139.6	170.4	-72.9	-175.2	-176	0	0	111.1	S157 Q158 I162	S157-E160 WeakPolarHBondContact CB-OE1 3.18Å; S157-E160 VanDerWaalsContact CB-OE2 3.26Å; S157-E160 WeakPolarHBondContact CB-OE2 3.32Å; S157-E160 PolarHBondContact O-N 2.66Å; S157-E160 PolarHBondContact OG-OE1 3.25Å; S157-E160 PolarHBondContact OG-OE2 2.86Å; Q158-E160 VanDerWaalsContact C-N 3.34Å; E160-I162 PolarHBondContact O-N 2.85Å
161	P	90.2	Very high	90.3	Very high	132 Å²	132	72 Å²	72	86%	0.857	39%	0.387	S	S	*	.			trans	-59.6	135.5	170.9	-22.5	33.5	0	0	0	111.2
162	I	92.2	Very high	90.4	Very high	68 Å²	68	74.7 Å²	74.7	35%	0.349	40%	0.398	S	S	.	.			trans	-120.5	155.2	175.9	59.7	171.5	0	0	0	110.3	E160 C164 F167 L168	E160-I162 PolarHBondContact O-N 2.85Å; I162-C164 PolarHBondContact O-N 2.74Å; I162-F167 HydrophobicContact CB-CD1 3.93Å; I162-F167 HydrophobicContact CB-CE1 4.26Å; I162-F167 HydrophobicContact CG2-CD1 3.89Å; I162-F167 HydrophobicContact CG2-CE1 3.77Å; I162-L168 HydrophobicContact CD1-CD1 3.55Å; I162-L168 HydrophobicContact CD1-CD2 3.96Å; I162-L168 HydrophobicContact CD1-CG 3.58Å
163	P	92.2	Very high	90.5	Very high	108 Å²	108	75 Å²	75	70%	0.701	40%	0.397	S	S	*	.	S	Bend	trans	-64.2	-42	-177	-23.5	34.1	0	0	0	113.9	F167	P163-F167 HydrophobicContact CG-CD2 4.41Å
164	C	93.3	Very high	90.7	Very high	56 Å²	56	80.2 Å²	80.2	38%	0.378	42%	0.419	S	S	.	.			trans	-169.6	177.9	-176.1	62.9	0	0	0	0	110.9	I162 E166 F167	I162-C164 PolarHBondContact O-N 2.74Å; C164-E166 VanDerWaalsContact CB-OE2 3.24Å; C164-E166 WeakPolarHBondContact CB-OE2 3.37Å; C164-E166 PolarHBondContact SG-OE2 2.87Å; C164-F167 WeakPolarHBondContact O-CB 3.43Å; C164-F167 PolarHBondContact O-N 2.8Å
165	R	94.1	Very high	91	Very high	167 Å²	167	79.1 Å²	79.1	63%	0.63	41%	0.411	S	S	*	.	H	α-helix	trans	-63.6	-41	177.3	169.6	58	-169	-90.7	-3.4	112	F167 L168 D169	R165-F167 PolarHBondContact O-N 3.12Å; R165-F167 VanDerWaalsContact O-N 3.15Å; R165-L168 WeakPolarHBondContact O-CB 3.42Å; R165-L168 PolarHBondContact O-N 2.85Å; R165-D169 IonicContact CZ-OD1 3.66Å; R165-D169 IonicContact CZ-OD2 3.24Å; R165-D169 IonicContact NE-OD1 3.09Å; R165-D169 PolarHBondContact NE-OD1 2.86Å; R165-D169 IonicContact NE-OD2 3.02Å; R165-D169 PolarHBondContact NE-OD2 3.3Å; R165-D169 IonicContact NH2-OD1 3.38Å; R165-D169 PolarHBondContact NH2-OD1 3.03Å; R165-D169 IonicContact NH2-OD2 2.74Å; R165-D169 PolarHBondContact O-N 2.81Å
166	E	95.8	Very high	91.3	Very high	107 Å²	107	82.7 Å²	82.7	50%	0.5	43%	0.427	S	S	.	.	H	α-helix	trans	-62.8	-24.7	-175.9	-61.8	74.3	-166.7	0	0	112.4	C164 L168 D169 K170	C164-E166 VanDerWaalsContact CB-OE2 3.24Å; C164-E166 WeakPolarHBondContact CB-OE2 3.37Å; C164-E166 PolarHBondContact SG-OE2 2.87Å; E166-L168 VanDerWaalsContact C-N 3.33Å; E166-D169 PolarHBondContact O-N 2.91Å; E166-K170 WeakPolarHBondContact O-CB 3.32Å; E166-K170 VanDerWaalsContact O-CG 3.31Å; E166-K170 WeakPolarHBondContact O-CG 3.35Å; E166-K170 PolarHBondContact O-N 3.11Å
167	F	93	Very high	92	Very high	66 Å²	66	86 Å²	86	29%	0.289	44%	0.441	S	S	.	.	H	α-helix	trans	-60.4	-42.1	172.1	171	-98.3	0	0	0	112	I162 P163 C164 R165 K171	I162-F167 HydrophobicContact CB-CD1 3.93Å; I162-F167 HydrophobicContact CB-CE1 4.26Å; I162-F167 HydrophobicContact CG2-CD1 3.89Å; I162-F167 HydrophobicContact CG2-CE1 3.77Å; P163-F167 HydrophobicContact CG-CD2 4.41Å; C164-F167 WeakPolarHBondContact O-CB 3.43Å; C164-F167 PolarHBondContact O-N 2.8Å; R165-F167 PolarHBondContact O-N 3.12Å; R165-F167 VanDerWaalsContact O-N 3.15Å; F167-K171 HydrophobicContact CE1-CD 4.04Å; F167-K171 HydrophobicContact CE2-CD 4.3Å; F167-K171 HydrophobicContact CZ-CD 3.89Å; F167-K171 VanDerWaalsContact CZ-NZ 3.29Å; F167-K171 PolarHBondContact O-N 3.38Å
168	L	94.3	Very high	92.6	Very high	44 Å²	44	88.9 Å²	88.9	23%	0.23	45%	0.451	C	S	.	.	H	α-helix	trans	-71	-43.7	177.9	-62.2	176.4	0	0	0	111.1	V155 I162 R165 E166 K170 K171 Y172	V155-L168 HydrophobicContact CG1-CB 4.2Å; V155-L168 HydrophobicContact CG1-CD2 3.72Å; I162-L168 HydrophobicContact CD1-CD1 3.55Å; I162-L168 HydrophobicContact CD1-CD2 3.96Å; I162-L168 HydrophobicContact CD1-CG 3.58Å; R165-L168 WeakPolarHBondContact O-CB 3.42Å; R165-L168 PolarHBondContact O-N 2.85Å; E166-L168 VanDerWaalsContact C-N 3.33Å; L168-K170 VanDerWaalsContact C-N 3.34Å; L168-K170 PolarHBondContact O-N 2.81Å; L168-K171 PolarHBondContact O-N 3.26Å; L168-Y172 WeakPolarHBondContact O-CB 3.29Å; L168-Y172 PolarHBondContact O-N 3.02Å
169	D	94	Very high	92.9	Very high	66 Å²	66	87.3 Å²	87.3	35%	0.353	44%	0.443	S	S	.	.	H	α-helix	trans	-62.4	-42.2	-177.6	-61.4	-32	0	0	0	111	R165 E166 Y172 V173	R165-D169 IonicContact CZ-OD1 3.66Å; R165-D169 IonicContact CZ-OD2 3.24Å; R165-D169 IonicContact NE-OD1 3.09Å; R165-D169 PolarHBondContact NE-OD1 2.86Å; R165-D169 IonicContact NE-OD2 3.02Å; R165-D169 PolarHBondContact NE-OD2 3.3Å; R165-D169 IonicContact NH2-OD1 3.38Å; R165-D169 PolarHBondContact NH2-OD1 3.03Å; R165-D169 IonicContact NH2-OD2 2.74Å; R165-D169 PolarHBondContact O-N 2.81Å; E166-D169 PolarHBondContact O-N 2.91Å; D169-Y172 PolarHBondContact O-N 3.34Å; D169-V173 WeakPolarHBondContact O-CG2 3.48Å; D169-V173 PolarHBondContact O-N 2.93Å
170	K	94.9	Very high	93.2	Very high	143 Å²	143	86.6 Å²	86.6	62%	0.622	44%	0.442	S	S	*	.	H	α-helix	trans	-60.6	-51	175.1	-74.6	177.3	-178.5	-178.2	0	112.1	E166 L168 Y172 V173 E174	E166-K170 WeakPolarHBondContact O-CB 3.32Å; E166-K170 VanDerWaalsContact O-CG 3.31Å; E166-K170 WeakPolarHBondContact O-CG 3.35Å; E166-K170 PolarHBondContact O-N 3.11Å; L168-K170 VanDerWaalsContact C-N 3.34Å; L168-K170 PolarHBondContact O-N 2.81Å; K170-Y172 VanDerWaalsContact C-N 3.28Å; K170-Y172 PolarHBondContact O-N 2.98Å; K170-V173 PolarHBondContact O-N 2.97Å; K170-E174 WeakPolarHBondContact O-CG 3.35Å; K170-E174 PolarHBondContact O-N 3.29Å
171	K	93.3	Very high	93.4	Very high	76 Å²	76	86.7 Å²	86.7	33%	0.33	46%	0.455	S	S	.	.	H	α-helix	trans	-61.1	-37.3	178.2	-80.2	-167.9	170.9	-169.9	0	112.8	V155 F167 L168 L175	V155-K171 HydrophobicContact CG1-CB 3.97Å; V155-K171 VanDerWaalsContact O-CD 3.24Å; V155-K171 WeakPolarHBondContact O-CD 3.32Å; F167-K171 HydrophobicContact CE1-CD 4.04Å; F167-K171 HydrophobicContact CE2-CD 4.3Å; F167-K171 HydrophobicContact CZ-CD 3.89Å; F167-K171 VanDerWaalsContact CZ-NZ 3.29Å; F167-K171 PolarHBondContact O-N 3.38Å; L168-K171 PolarHBondContact O-N 3.26Å; K171-L175 WeakPolarHBondContact O-CG 3.43Å; K171-L175 PolarHBondContact O-N 3.03Å
172	Y	94.8	Very high	93.4	Very high	59 Å²	59	84.4 Å²	84.4	23%	0.231	43%	0.432	C	S	.	.	H	α-helix	trans	-61.9	-49.5	176.4	-174.3	-79.3	0	0	0	110.6	A148 I151 V155 L168 D169 K170 E174 L175 E176	A148-Y172 WeakPolarHBondContact CA-OH 3.32Å; A148-Y172 WeakPolarHBondContact CB-OH 3.25Å; I151-Y172 HydrophobicContact CB-CE2 4.06Å; I151-Y172 HydrophobicContact CG2-CD2 3.57Å; I151-Y172 HydrophobicContact CG2-CE2 3.58Å; I151-Y172 HydrophobicContact CG2-CG 4.07Å; V155-Y172 HydrophobicContact CG2-CD2 4Å; V155-Y172 HydrophobicContact CG2-CG 4.39Å; L168-Y172 WeakPolarHBondContact O-CB 3.29Å; L168-Y172 PolarHBondContact O-N 3.02Å; D169-Y172 PolarHBondContact O-N 3.34Å; K170-Y172 VanDerWaalsContact C-N 3.28Å; K170-Y172 PolarHBondContact O-N 2.98Å; Y172-E174 PolarHBondContact O-N 3.47Å; Y172-L175 PolarHBondContact O-N 3.06Å; Y172-E176 HydrophobicContact CD1-CB 4.46Å; Y172-E176 HydrophobicContact CE1-CB 4.29Å; Y172-E176 VanDerWaalsContact O-CB 3.29Å; Y172-E176 WeakPolarHBondContact O-CB 3.35Å; Y172-E176 PolarHBondContact O-N 3.32Å
173	V	95.4	Very high	93	Very high	73 Å²	73	89.7 Å²	89.7	44%	0.442	46%	0.455	S	S	.	.	H	α-helix	trans	-63.6	-39.9	178.7	171.4	0	0	0	0	111.9	D169 K170 E176 N177	D169-V173 WeakPolarHBondContact O-CG2 3.48Å; D169-V173 PolarHBondContact O-N 2.93Å; K170-V173 PolarHBondContact O-N 2.97Å; V173-E176 PolarHBondContact O-N 3.48Å; V173-N177 WeakPolarHBondContact CG1-ND2 3.24Å; V173-N177 WeakPolarHBondContact O-CB 3.42Å; V173-N177 VanDerWaalsContact O-CG 3.27Å; V173-N177 PolarHBondContact O-N 3.27Å; V173-N177 PolarHBondContact O-ND2 2.94Å
174	E	94.7	Very high	92.9	Very high	124 Å²	124	91 Å²	91	58%	0.579	45%	0.45	S	S	*	.	H	α-helix	trans	-57.9	-50.5	174.9	-74.9	168.2	-171.1	0	0	111.5	K170 Y172 N177 E178	K170-E174 WeakPolarHBondContact O-CG 3.35Å; K170-E174 PolarHBondContact O-N 3.29Å; Y172-E174 PolarHBondContact O-N 3.47Å; E174-N177 PolarHBondContact O-N 3.48Å; E174-E178 WeakPolarHBondContact O-CB 3.2Å; E174-E178 PolarHBondContact O-N 2.91Å
175	L	93.3	Very high	92.9	Very high	27 Å²	27	88.4 Å²	88.4	14%	0.141	43%	0.432	C	S	.	.	H	α-helix	trans	-67.6	-39.8	177.8	-71.9	171.3	0	0	0	112	I151 T154 V155 K171 Y172 N177 E178 Y179	I151-L175 HydrophobicContact CG2-CB 3.87Å; I151-L175 HydrophobicContact CG2-CD1 4.33Å; T154-L175 HydrophobicContact CG2-CD1 3.92Å; T154-L175 HydrophobicContact CG2-CD2 4.35Å; V155-L175 HydrophobicContact CG2-CD1 3.88Å; K171-L175 WeakPolarHBondContact O-CG 3.43Å; K171-L175 PolarHBondContact O-N 3.03Å; Y172-L175 PolarHBondContact O-N 3.06Å; L175-N177 VanDerWaalsContact C-N 3.3Å; L175-N177 PolarHBondContact O-N 3.07Å; L175-E178 PolarHBondContact O-N 3.02Å; L175-Y179 HydrophobicContact CD2-CD2 4.32Å; L175-Y179 HydrophobicContact CD2-CE2 3.9Å; L175-Y179 WeakPolarHBondContact O-CB 3.36Å; L175-Y179 VanDerWaalsContact O-CD2 3.26Å; L175-Y179 WeakPolarHBondContact O-CD2 3.29Å; L175-Y179 PolarHBondContact O-N 3.44Å
176	E	94.2	Very high	92.9	Very high	85 Å²	85	84.2 Å²	84.2	40%	0.397	43%	0.426	S	S	.	.	H	α-helix	trans	-59	-44	176.6	-174.9	171.9	-114.1	0	0	111.2	I151 Y172 V173 A180	I151-E176 HydrophobicContact CD1-CB 4.11Å; I151-E176 HydrophobicContact CD1-CG 4.36Å; Y172-E176 HydrophobicContact CD1-CB 4.46Å; Y172-E176 HydrophobicContact CE1-CB 4.29Å; Y172-E176 VanDerWaalsContact O-CB 3.29Å; Y172-E176 WeakPolarHBondContact O-CB 3.35Å; Y172-E176 PolarHBondContact O-N 3.32Å; V173-E176 PolarHBondContact O-N 3.48Å; E176-A180 WeakPolarHBondContact O-CA 3.4Å; E176-A180 WeakPolarHBondContact O-CB 3.24Å; E176-A180 PolarHBondContact O-N 2.9Å
177	N	94.8	Very high	92.8	Very high	110 Å²	110	80 Å²	80	59%	0.588	41%	0.407	S	S	*	.	H	α-helix	trans	-67.9	-45.3	175.8	-72.3	-36	0	0	0	112.4	V173 E174 L175 Y179 A180	V173-N177 WeakPolarHBondContact CG1-ND2 3.24Å; V173-N177 WeakPolarHBondContact O-CB 3.42Å; V173-N177 VanDerWaalsContact O-CG 3.27Å; V173-N177 PolarHBondContact O-N 3.27Å; V173-N177 PolarHBondContact O-ND2 2.94Å; E174-N177 PolarHBondContact O-N 3.48Å; L175-N177 VanDerWaalsContact C-N 3.3Å; L175-N177 PolarHBondContact O-N 3.07Å; N177-Y179 PolarHBondContact O-N 2.76Å; N177-A180 PolarHBondContact O-N 3.38Å
178	E	93.5	Very high	92.9	Very high	94 Å²	94	77.7 Å²	77.7	44%	0.439	40%	0.398	S	S	.	.	H	α-helix	trans	-59.4	-36.5	179.7	-165.2	-152.9	136.2	0	0	111.9	E174 L175 K182	E174-E178 WeakPolarHBondContact O-CB 3.2Å; E174-E178 PolarHBondContact O-N 2.91Å; L175-E178 PolarHBondContact O-N 3.02Å; E178-K182 IonicContact OE1-NZ 3.95Å; E178-K182 PolarHBondContact OE1-NZ 2.74Å
179	Y	92.4	Very high	92.8	Very high	30 Å²	30	81.1 Å²	81.1	12%	0.118	43%	0.425	C	S	.	.	H	α-helix	trans	-102.3	2.8	-177.8	-69	-83.9	0	0	0	113.9	K147 L175 N177 S181 K182 L185 P186	K147-Y179 WeakPolarHBondContact CE-O 3.33Å; K147-Y179 PolarHBondContact NZ-O 3.02Å; L175-Y179 HydrophobicContact CD2-CD2 4.32Å; L175-Y179 HydrophobicContact CD2-CE2 3.9Å; L175-Y179 WeakPolarHBondContact O-CB 3.36Å; L175-Y179 VanDerWaalsContact O-CD2 3.26Å; L175-Y179 WeakPolarHBondContact O-CD2 3.29Å; L175-Y179 PolarHBondContact O-N 3.44Å; N177-Y179 PolarHBondContact O-N 2.76Å; Y179-S181 VanDerWaalsContact C-N 3.29Å; Y179-S181 PolarHBondContact O-N 3.03Å; Y179-K182 HydrophobicContact CD1-CB 3.98Å; Y179-K182 HydrophobicContact CD1-CD 3.33Å; Y179-K182 HydrophobicContact CD1-CG 4.26Å; Y179-K182 HydrophobicContact CE1-CD 3.61Å; Y179-K182 HydrophobicContact CG-CD 4.16Å; Y179-K182 PolarHBondContact O-N 2.98Å; Y179-L185 HydrophobicContact CD1-CB 4.31Å; Y179-L185 HydrophobicContact CD1-CD1 3.49Å; Y179-L185 VanDerWaalsContact CD1-CD1 3.49Å; Y179-L185 HydrophobicContact CD1-CG 3.46Å; Y179-L185 VanDerWaalsContact CD1-CG 3.46Å; Y179-L185 HydrophobicContact CD2-CD1 4.1Å; Y179-L185 HydrophobicContact CD2-CD2 4.16Å; Y179-L185 HydrophobicContact CD2-CG 3.84Å; Y179-L185 HydrophobicContact CE1-CB 4.46Å; Y179-L185 HydrophobicContact CE1-CD1 4.39Å; Y179-L185 HydrophobicContact CE1-CG 3.89Å; Y179-L185 HydrophobicContact CE2-CG 4.23Å; Y179-L185 HydrophobicContact CG-CD1 3.35Å; Y179-L185 HydrophobicContact CG-CD2 4.23Å; Y179-L185 HydrophobicContact CG-CG 3.48Å; Y179-L185 VanDerWaalsContact CG-CG 3.48Å; Y179-P186 HydrophobicContact CE1-CG 4.34Å
180	A	90.3	Very high	92.7	Very high	66 Å²	66	79.4 Å²	79.4	55%	0.545	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.9	-47.3	-176	0	0	0	0	0	112.4	K147 E176 N177	K147-A180 PolarHBondContact NZ-O 3.09Å; E176-A180 WeakPolarHBondContact O-CA 3.4Å; E176-A180 WeakPolarHBondContact O-CB 3.24Å; E176-A180 PolarHBondContact O-N 2.9Å; N177-A180 PolarHBondContact O-N 3.38Å
181	S	90.2	Very high	92.8	Very high	119 Å²	119	73.4 Å²	73.4	83%	0.832	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.9	-7	179.3	58.7	0	0	0	0	114.7	Y179	Y179-S181 VanDerWaalsContact C-N 3.29Å; Y179-S181 PolarHBondContact O-N 3.03Å
182	K	90	Very high	92.9	Very high	84 Å²	84	69.8 Å²	69.8	37%	0.365	37%	0.374	S	S	.	.			trans	-87.6	133.1	179.2	-64.8	175.1	-176.4	170.5	0	109.6	K147 E178 Y179	K147-K182 PolarHBondContact NZ-O 2.78Å; E178-K182 IonicContact OE1-NZ 3.95Å; E178-K182 PolarHBondContact OE1-NZ 2.74Å; Y179-K182 HydrophobicContact CD1-CB 3.98Å; Y179-K182 HydrophobicContact CD1-CD 3.33Å; Y179-K182 HydrophobicContact CD1-CG 4.26Å; Y179-K182 HydrophobicContact CE1-CD 3.61Å; Y179-K182 HydrophobicContact CG-CD 4.16Å; Y179-K182 PolarHBondContact O-N 2.98Å
183	E	85.6	Confident	93.1	Very high	180 Å²	180	67 Å²	67	84%	0.841	36%	0.363	S	S	*	.	S	Bend	trans	-69.8	-38.3	176.9	-169.9	-178.1	173.8	0	0	111.5
184	K	89.7	Confident	93.2	Very high	135 Å²	135	63.7 Å²	63.7	59%	0.587	34%	0.343	S	S	*	.			trans	-120.6	133.4	-177.6	-62.7	-174.7	178.2	-176.7	0	111.4
185	L	92.6	Very high	93.4	Very high	2 Å²	2	58.4 Å²	58.4	1%	0.01	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-84.6	137.4	158.8	-95.3	75	0	0	0	108.5	F142 Q143 K147 Q150 I151 Y179	F142-L185 HydrophobicContact CE1-CB 4.07Å; F142-L185 WeakPolarHBondContact CE1-O 3.41Å; F142-L185 HydrophobicContact CZ-CB 4.43Å; Q143-L185 PolarHBondContact NE2-O 3.44Å; K147-L185 HydrophobicContact CG-CD1 4.27Å; Q150-L185 HydrophobicContact CB-CB 4.4Å; Q150-L185 HydrophobicContact CB-CD2 4.11Å; I151-L185 HydrophobicContact CB-CD2 4.41Å; I151-L185 HydrophobicContact CG1-CD1 4.47Å; I151-L185 HydrophobicContact CG1-CD2 3.63Å; Y179-L185 HydrophobicContact CD1-CB 4.31Å; Y179-L185 HydrophobicContact CD1-CD1 3.49Å; Y179-L185 VanDerWaalsContact CD1-CD1 3.49Å; Y179-L185 HydrophobicContact CD1-CG 3.46Å; Y179-L185 VanDerWaalsContact CD1-CG 3.46Å; Y179-L185 HydrophobicContact CD2-CD1 4.1Å; Y179-L185 HydrophobicContact CD2-CD2 4.16Å; Y179-L185 HydrophobicContact CD2-CG 3.84Å; Y179-L185 HydrophobicContact CE1-CB 4.46Å; Y179-L185 HydrophobicContact CE1-CD1 4.39Å; Y179-L185 HydrophobicContact CE1-CG 3.89Å; Y179-L185 HydrophobicContact CE2-CG 4.23Å; Y179-L185 HydrophobicContact CG-CD1 3.35Å; Y179-L185 HydrophobicContact CG-CD2 4.23Å; Y179-L185 HydrophobicContact CG-CG 3.48Å; Y179-L185 VanDerWaalsContact CG-CG 3.48Å
186	P	93.4	Very high	93.7	Very high	78 Å²	78	57.1 Å²	57.1	51%	0.506	31%	0.311	S	S	.	.	P	Polyproline II helix	trans	-64.2	136.8	167.6	28.4	-32.7	0	0	0	109.6	Y179	Y179-P186 HydrophobicContact CE1-CG 4.34Å
187	K	94.6	Very high	93.9	Very high	20 Å²	20	55.2 Å²	55.2	9%	0.087	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-61.9	131.1	171.7	-178.1	178.2	64.3	69.6	0	110.1	E135 N138 E139 F142 S189 W191	E135-K187 WeakPolarHBondContact OE1-CE 3.42Å; E135-K187 IonicContact OE1-NZ 3.92Å; E135-K187 PolarHBondContact OE1-NZ 2.84Å; E135-K187 IonicContact OE2-NZ 3.27Å; E135-K187 PolarHBondContact OE2-NZ 2.88Å; N138-K187 HydrophobicContact CB-CD 3.79Å; N138-K187 WeakPolarHBondContact O-CD 3.32Å; E139-K187 WeakPolarHBondContact OE2-CB 3.46Å; E139-K187 WeakPolarHBondContact OE2-CE 3.49Å; F142-K187 HydrophobicContact CB-CB 4.13Å; F142-K187 HydrophobicContact CB-CD 3.87Å; F142-K187 HydrophobicContact CB-CG 3.91Å; F142-K187 HydrophobicContact CD1-CB 3.77Å; F142-K187 HydrophobicContact CD1-CG 4.27Å; F142-K187 HydrophobicContact CD2-CB 4.24Å; F142-K187 HydrophobicContact CD2-CG 3.87Å; F142-K187 HydrophobicContact CE1-CB 4.23Å; F142-K187 HydrophobicContact CE2-CG 4.48Å; F142-K187 HydrophobicContact CG-CB 3.78Å; F142-K187 HydrophobicContact CG-CD 4.29Å; F142-K187 HydrophobicContact CG-CG 3.75Å; K187-S189 PolarHBondContact O-N 3.43Å; K187-W191 HydrophobicContact CD-CE3 3.82Å; K187-W191 HydrophobicContact CD-CZ3 3.98Å; K187-W191 HydrophobicContact CG-CE3 3.84Å; K187-W191 HydrophobicContact CG-CZ3 4.33Å
188	P	94.1	Very high	94	Very high	16 Å²	16	50.3 Å²	50.3	10%	0.104	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-59.7	138	173.2	-24.2	34.4	0	0	0	111.8	F142 T154 N190 W191	F142-P188 HydrophobicContact CE2-CG 4.37Å; T154-P188 HydrophobicContact CG2-CG 4.33Å; T154-P188 VanDerWaalsContact OG1-CG 3.28Å; T154-P188 WeakPolarHBondContact OG1-CG 3.46Å; P188-N190 VanDerWaalsContact CB-OD1 3.25Å; P188-N190 WeakPolarHBondContact CB-OD1 3.2Å; P188-N190 PolarHBondContact O-N 2.83Å; P188-W191 HydrophobicContact CB-CB 3.98Å; P188-W191 HydrophobicContact CG-CB 4.35Å; P188-W191 PolarHBondContact O-N 2.81Å; P188-W191 VanDerWaalsContact O-N 3.07Å
189	S	92.9	Very high	94.2	Very high	116 Å²	116	51.4 Å²	51.4	81%	0.811	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-24.7	179.4	56.5	0	0	0	0	113.6	K187 W191	K187-S189 PolarHBondContact O-N 3.43Å; S189-W191 VanDerWaalsContact C-N 3.33Å
190	N	93.2	Very high	94.5	Very high	31 Å²	31	50.9 Å²	50.9	17%	0.166	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.7	10.4	176	66.3	-17.9	0	0	0	113.2	N96 Y97 P188	N96-N190 CarbonylContact C-O 3.52Å; N96-N190 VanDerWaalsContact CA-O 3.29Å; N96-N190 WeakPolarHBondContact CA-O 3.36Å; N96-N190 PolarHBondContact ND2-ND2 2.93Å; N96-N190 PolarHBondContact OD1-O 2.94Å; Y97-N190 PolarHBondContact N-O 3.33Å; P188-N190 VanDerWaalsContact CB-OD1 3.25Å; P188-N190 WeakPolarHBondContact CB-OD1 3.2Å; P188-N190 PolarHBondContact O-N 2.83Å
191	W	95.4	Very high	94.9	Very high	16 Å²	16	47.8 Å²	47.8	6%	0.061	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	138.6	179	-174.6	97.6	0	0	0	110.6	F94 Y141 F142 K187 P188 S189	F94-W191 HydrophobicContact CB-CH2 4.09Å; F94-W191 HydrophobicContact CB-CZ2 3.72Å; F94-W191 AromaticContact CD1-CH2 3.67Å; F94-W191 HydrophobicContact CD1-CH2 3.67Å; F94-W191 HydrophobicContact CD1-CZ2 4.19Å; F94-W191 AromaticContact CD1-CZ3 3.95Å; F94-W191 HydrophobicContact CD1-CZ3 3.95Å; F94-W191 HydrophobicContact CE1-CH2 4.46Å; F94-W191 HydrophobicContact CG-CH2 4.12Å; F94-W191 HydrophobicContact CG-CZ2 4.26Å; Y141-W191 AromaticContact CD1-CH2 3.56Å; Y141-W191 HydrophobicContact CD1-CH2 3.56Å; Y141-W191 HydrophobicContact CD1-CZ2 4.2Å; Y141-W191 HydrophobicContact CE1-CH2 4.01Å; Y141-W191 HydrophobicContact CE1-CZ2 4.19Å; F142-W191 HydrophobicContact CB-CE3 4.37Å; F142-W191 HydrophobicContact CB-CH2 4.07Å; F142-W191 HydrophobicContact CB-CZ3 3.67Å; F142-W191 HydrophobicContact CD2-CD2 4.19Å; F142-W191 AromaticContact CD2-CE3 3.84Å; F142-W191 HydrophobicContact CD2-CE3 3.84Å; F142-W191 HydrophobicContact CD2-CH2 4.06Å; F142-W191 HydrophobicContact CD2-CZ2 4.44Å; F142-W191 AromaticContact CD2-CZ3 3.8Å; F142-W191 HydrophobicContact CD2-CZ3 3.8Å; F142-W191 HydrophobicContact CG-CZ3 4.22Å; K187-W191 HydrophobicContact CD-CE3 3.82Å; K187-W191 HydrophobicContact CD-CZ3 3.98Å; K187-W191 HydrophobicContact CG-CE3 3.84Å; K187-W191 HydrophobicContact CG-CZ3 4.33Å; P188-W191 HydrophobicContact CB-CB 3.98Å; P188-W191 HydrophobicContact CG-CB 4.35Å; P188-W191 PolarHBondContact O-N 2.81Å; P188-W191 VanDerWaalsContact O-N 3.07Å; S189-W191 VanDerWaalsContact C-N 3.33Å
192	G	96.8	Very high	95.3	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	175.8	-171.9	173.5	0	0	0	0	0	113.7	F94 T95 Y97	F94-G192 WeakPolarHBondContact CA-O 3.23Å; T95-G192 PolarHBondContact N-O 3.37Å; T95-G192 PolarHBondContact O-N 3.49Å; T95-G192 VanDerWaalsContact O-N 3.08Å; T95-G192 VanDerWaalsContact O-O 3.04Å; Y97-G192 VanDerWaalsContact CZ-CA 3.44Å; Y97-G192 WeakPolarHBondContact OH-CA 3.19Å
193	G	97.6	Very high	95.7	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	156.6	-172.9	0	0	0	0	0	112.8	F93 F94 Y97 A133 N138	F93-G193 CarbonylContact O-C 3.58Å; F93-G193 WeakPolarHBondContact O-CA 3.21Å; F94-G193 VanDerWaalsContact CD1-N 3.3Å; Y97-G193 PolarHBondContact OH-N 3.3Å; Y97-G193 PolarHBondContact OH-O 3.1Å; A133-G193 PolarHBondContact N-O 3.44Å; N138-G193 WeakPolarHBondContact OD1-CA 3.28Å; N138-G193 PolarHBondContact OD1-N 2.8Å
194	Y	98.6	Very high	96.3	Very high	4 Å²	4	31.5 Å²	31.5	2%	0.016	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	146.4	169.7	-72.9	-76.7	0	0	0	108.7	H92 F93 T95 Y97 G102 L105 V130 S131 R132	H92-Y194 WeakPolarHBondContact CA-O 3.28Å; F93-Y194 HydrophobicContact CD2-CD2 4.44Å; F93-Y194 AromaticContact CE2-CD2 3.79Å; F93-Y194 HydrophobicContact CE2-CD2 3.79Å; F93-Y194 HydrophobicContact CE2-CG 4.02Å; F93-Y194 HydrophobicContact CZ-CD2 4.26Å; F93-Y194 HydrophobicContact CZ-CG 4.01Å; F93-Y194 PolarHBondContact N-O 3.29Å; F93-Y194 PolarHBondContact O-N 2.92Å; T95-Y194 HydrophobicContact CG2-CD2 3.86Å; T95-Y194 HydrophobicContact CG2-CE2 3.63Å; Y97-Y194 HydrophobicContact CD1-CE1 4.38Å; Y97-Y194 AromaticContact CD1-CE2 3.56Å; Y97-Y194 HydrophobicContact CD1-CE2 3.56Å; Y97-Y194 AromaticContact CD1-CZ 3.5Å; Y97-Y194 VanDerWaalsContact CD1-CZ 3.5Å; Y97-Y194 VanDerWaalsContact CD1-OH 3.27Å; Y97-Y194 WeakPolarHBondContact CD1-OH 3.17Å; Y97-Y194 HydrophobicContact CE1-CD2 4.18Å; Y97-Y194 HydrophobicContact CE1-CE1 4.21Å; Y97-Y194 AromaticContact CE1-CE2 3.63Å; Y97-Y194 HydrophobicContact CE1-CE2 3.63Å; Y97-Y194 AromaticContact CE1-CZ 3.67Å; G102-Y194 WeakPolarHBondContact CA-OH 3.34Å; L105-Y194 HydrophobicContact CB-CE1 4.25Å; L105-Y194 HydrophobicContact CD1-CD1 4.06Å; L105-Y194 HydrophobicContact CD1-CD2 4.25Å; L105-Y194 HydrophobicContact CD1-CE1 3.91Å; L105-Y194 HydrophobicContact CD1-CE2 4.12Å; L105-Y194 HydrophobicContact CD1-CG 4.2Å; V130-Y194 HydrophobicContact CG1-CD1 3.51Å; V130-Y194 HydrophobicContact CG1-CE1 4.39Å; V130-Y194 HydrophobicContact CG1-CG 3.96Å; S131-Y194 CarbonylContact O-C 3.43Å; S131-Y194 VanDerWaalsContact O-CA 3.24Å; S131-Y194 WeakPolarHBondContact O-CA 3.41Å; R132-Y194 HydrophobicContact CG-CD1 4.14Å; R132-Y194 HydrophobicContact CG-CE1 3.82Å
195	I	98.6	Very high	96.7	Very high	13 Å²	13	25.1 Å²	25.1	7%	0.067	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	119.1	177.7	-45.9	179	0	0	0	106.8	N89 H92 V130 S131 A133	N89-I195 HydrophobicContact CB-CG2 4.03Å; H92-I195 WeakPolarHBondContact CE1-CD1 3.37Å; V130-I195 VanDerWaalsContact CA-O 3.29Å; V130-I195 WeakPolarHBondContact CA-O 3.37Å; S131-I195 PolarHBondContact N-O 3.1Å; S131-I195 PolarHBondContact O-N 3.39Å; A133-I195 HydrophobicContact CB-CD1 4.36Å; A133-I195 HydrophobicContact CB-CG1 4.25Å
196	L	98.8	Very high	96.9	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	109.7	169.9	-171.3	163.6	0	0	0	109.2	G90 F91 A111 L113 V126 V129 V130 P198	G90-L196 WeakPolarHBondContact CA-O 3.3Å; F91-L196 HydrophobicContact CB-CB 4.38Å; F91-L196 PolarHBondContact N-O 2.89Å; F91-L196 PolarHBondContact O-N 3.46Å; A111-L196 HydrophobicContact CB-CD1 3.96Å; L113-L196 HydrophobicContact CD1-CB 4.19Å; L113-L196 HydrophobicContact CD1-CD1 3.67Å; L113-L196 HydrophobicContact CD1-CG 4.43Å; L113-L196 HydrophobicContact CD2-CD1 4.33Å; L113-L196 HydrophobicContact CG-CD1 3.63Å; V126-L196 HydrophobicContact CG1-CD2 3.63Å; V129-L196 CarbonylContact O-C 3.53Å; V129-L196 WeakPolarHBondContact O-CA 3.36Å; V130-L196 HydrophobicContact CG2-CB 4.03Å; V130-L196 HydrophobicContact CG2-CD1 4.24Å; V130-L196 HydrophobicContact CG2-CG 4Å; L196-P198 HydrophobicContact CD2-CB 4.27Å; L196-P198 WeakPolarHBondContact O-CD 3.39Å
197	S	98.4	Very high	97.1	Very high	46 Å²	46	21.7 Å²	21.7	32%	0.322	12%	0.12	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	110	170.3	-62.4	0	0	0	0	110.7	N89 G128 V129	N89-S197 VanDerWaalsContact O-CA 3.29Å; N89-S197 WeakPolarHBondContact O-CA 3.32Å; N89-S197 WeakPolarHBondContact O-CB 3.44Å; N89-S197 PolarHBondContact O-OG 3.31Å; G128-S197 VanDerWaalsContact CA-O 3.32Å; G128-S197 WeakPolarHBondContact CA-O 3.41Å; V129-S197 PolarHBondContact N-O 2.94Å; V129-S197 VanDerWaalsContact N-O 3.11Å; V129-S197 PolarHBondContact O-N 3.01Å
198	P	98.4	Very high	97	Very high	6 Å²	6	23.9 Å²	23.9	4%	0.039	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	136.6	-169.2	28.9	-34.9	0	0	0	111.9	L43 F91 V126 L196 I201 W239	L43-P198 HydrophobicContact CD2-CG 4.04Å; F91-P198 HydrophobicContact CE2-CB 4.33Å; F91-P198 HydrophobicContact CE2-CG 4.2Å; V126-P198 HydrophobicContact CG1-CB 3.76Å; L196-P198 HydrophobicContact CD2-CB 4.27Å; L196-P198 WeakPolarHBondContact O-CD 3.39Å; P198-I201 HydrophobicContact CB-CD1 3.79Å; P198-I201 HydrophobicContact CB-CG1 3.83Å; P198-I201 HydrophobicContact CG-CD1 3.95Å; P198-W239 HydrophobicContact CB-CH2 4.03Å; P198-W239 HydrophobicContact CB-CZ2 4.46Å; P198-W239 HydrophobicContact CG-CH2 4.12Å; P198-W239 HydrophobicContact CG-CZ2 4.04Å; P198-W239 WeakPolarHBondContact O-CH2 3.49Å
199	K	97.8	Very high	96.9	Very high	118 Å²	118	27.7 Å²	27.7	51%	0.513	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	-25.7	168.1	-63.7	-60	-173.9	178.3	0	111.8	E127 R218 R219	E127-K199 PolarHBondContact O-N 3.24Å; K199-R218 WeakPolarHBondContact O-CA 3.31Å; K199-R219 HydrophobicContact CD-CB 4.45Å; K199-R219 HydrophobicContact CD-CG 4.11Å; K199-R219 PolarHBondContact O-N 3.46Å
200	S	98.3	Very high	96.8	Very high	19 Å²	19	26.7 Å²	26.7	13%	0.133	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	138.6	176.7	177.3	0	0	0	0	110.2	V126 E127 F217	V126-S200 WeakPolarHBondContact CA-O 3.17Å; E127-S200 PolarHBondContact N-O 2.69Å; E127-S200 PolarHBondContact O-N 3.47Å; S200-F217 CarbonylContact C-O 3.59Å; S200-F217 VanDerWaalsContact CA-O 3.25Å; S200-F217 WeakPolarHBondContact CA-O 3.35Å
201	I	98.8	Very high	96.8	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	117.8	173	-57.7	177	0	0	0	108.2	P42 L43 F91 V124 R125 V126 P198 F203 F217 W239	P42-I201 HydrophobicContact CB-CB 4.04Å; P42-I201 HydrophobicContact CB-CD1 3.78Å; P42-I201 HydrophobicContact CB-CG1 4.38Å; P42-I201 HydrophobicContact CB-CG2 4.36Å; P42-I201 HydrophobicContact CG-CD1 4.02Å; L43-I201 HydrophobicContact CD2-CD1 3.93Å; F91-I201 HydrophobicContact CE2-CD1 4.1Å; F91-I201 HydrophobicContact CZ-CD1 4.29Å; V124-I201 HydrophobicContact CG1-CG2 3.65Å; R125-I201 CarbonylContact O-C 3.58Å; R125-I201 WeakPolarHBondContact O-CA 3.39Å; V126-I201 HydrophobicContact CG1-CG1 4.17Å; V126-I201 HydrophobicContact CG2-CG1 4.34Å; V126-I201 HydrophobicContact CG2-CG2 4.37Å; P198-I201 HydrophobicContact CB-CD1 3.79Å; P198-I201 HydrophobicContact CB-CG1 3.83Å; P198-I201 HydrophobicContact CG-CD1 3.95Å; I201-F203 HydrophobicContact CB-CE2 4.31Å; I201-F203 HydrophobicContact CG2-CD2 4.11Å; I201-F203 HydrophobicContact CG2-CE2 3.42Å; I201-F203 VanDerWaalsContact CG2-CE2 3.42Å; I201-F203 HydrophobicContact CG2-CZ 3.74Å; I201-F217 PolarHBondContact N-O 3.18Å; I201-F217 PolarHBondContact O-N 3.32Å; I201-W239 HydrophobicContact CD1-CH2 4.42Å; I201-W239 HydrophobicContact CG1-CH2 4.44Å
202	E	98.6	Very high	96.8	Very high	11 Å²	11	30.6 Å²	30.6	5%	0.051	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	124.8	175.6	-175.5	-172.3	160.9	0	0	110.4	V124 R125 R214 I215 R216 L244	V124-E202 CarbonylContact C-O 3.55Å; V124-E202 WeakPolarHBondContact CA-O 3.48Å; R125-E202 HydrophobicContact CB-CB 4.26Å; R125-E202 IonicContact CZ-OE2 3.39Å; R125-E202 PolarHBondContact N-O 2.91Å; R125-E202 IonicContact NE-OE2 2.87Å; R125-E202 IonicContact NH1-OE1 2.87Å; R125-E202 IonicContact NH1-OE2 3Å; R125-E202 PolarHBondContact NH1-OE2 3.42Å; R125-E202 PolarHBondContact O-N 3.49Å; E202-R214 IonicContact OE1-CZ 2.66Å; E202-R214 VanDerWaalsContact OE1-CZ 3.24Å; E202-R214 IonicContact OE1-NE 3.61Å; E202-R214 PolarHBondContact OE1-NE 3.14Å; E202-R214 IonicContact OE1-NH2 3.3Å; E202-R214 PolarHBondContact OE1-NH2 2.9Å; E202-R214 IonicContact OE2-NH2 3.68Å; E202-I215 CarbonylContact C-O 3.57Å; E202-I215 WeakPolarHBondContact CA-O 3.38Å; E202-R216 HydrophobicContact CB-CB 4.48Å; E202-R216 HydrophobicContact CG-CB 4.5Å; E202-L244 HydrophobicContact CG-CD1 4.49Å
203	F	98.6	Very high	96.8	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	125.8	171.4	-66.1	-92.6	0	0	0	109.1	F32 P42 L45 F46 W49 V124 I201 R214 I215 F217	F32-F203 HydrophobicContact CE1-CB 3.53Å; F32-F203 HydrophobicContact CZ-CB 3.74Å; F32-F203 HydrophobicContact CZ-CG 4.32Å; P42-F203 HydrophobicContact CB-CE2 3.99Å; P42-F203 HydrophobicContact CB-CZ 4.46Å; P42-F203 WeakPolarHBondContact O-CZ 3.41Å; L45-F203 HydrophobicContact CB-CE1 4.2Å; L45-F203 HydrophobicContact CB-CE2 4.29Å; L45-F203 HydrophobicContact CB-CZ 3.81Å; L45-F203 HydrophobicContact CD2-CD1 4.1Å; L45-F203 HydrophobicContact CD2-CD2 3.77Å; L45-F203 HydrophobicContact CD2-CE1 4.05Å; L45-F203 HydrophobicContact CD2-CE2 3.7Å; L45-F203 HydrophobicContact CD2-CG 3.98Å; L45-F203 HydrophobicContact CD2-CZ 3.86Å; L45-F203 HydrophobicContact CG-CD1 4.1Å; L45-F203 HydrophobicContact CG-CD2 4.49Å; L45-F203 HydrophobicContact CG-CE1 3.72Å; L45-F203 HydrophobicContact CG-CE2 4.13Å; L45-F203 HydrophobicContact CG-CG 4.48Å; L45-F203 HydrophobicContact CG-CZ 3.74Å; F46-F203 HydrophobicContact CB-CE1 4.19Å; F46-F203 HydrophobicContact CB-CZ 4.03Å; W49-F203 AromaticContact CD2-CD1 3.89Å; W49-F203 HydrophobicContact CD2-CD1 3.89Å; W49-F203 HydrophobicContact CD2-CE1 4.37Å; W49-F203 AromaticContact CE3-CD1 3.78Å; W49-F203 HydrophobicContact CE3-CD1 3.78Å; W49-F203 HydrophobicContact CE3-CE1 4.45Å; W49-F203 HydrophobicContact CH2-CB 4.01Å; W49-F203 HydrophobicContact CH2-CD1 4.24Å; W49-F203 HydrophobicContact CZ2-CB 4.4Å; W49-F203 HydrophobicContact CZ2-CD1 4.32Å; W49-F203 HydrophobicContact CZ3-CB 4.25Å; W49-F203 AromaticContact CZ3-CD1 3.96Å; W49-F203 HydrophobicContact CZ3-CD1 3.96Å; V124-F203 HydrophobicContact CG1-CD1 4.38Å; V124-F203 HydrophobicContact CG1-CE1 4.17Å; V124-F203 HydrophobicContact CG1-CZ 4.41Å; V124-F203 HydrophobicContact CG2-CD1 3.83Å; V124-F203 HydrophobicContact CG2-CE1 3.92Å; I201-F203 HydrophobicContact CB-CE2 4.31Å; I201-F203 HydrophobicContact CG2-CD2 4.11Å; I201-F203 HydrophobicContact CG2-CE2 3.42Å; I201-F203 VanDerWaalsContact CG2-CE2 3.42Å; I201-F203 HydrophobicContact CG2-CZ 3.74Å; F203-R214 WeakPolarHBondContact O-CA 3.33Å; F203-I215 PolarHBondContact N-O 2.81Å; F203-I215 PolarHBondContact O-N 3.44Å; F203-F217 AromaticContact CD2-CD2 3.82Å; F203-F217 HydrophobicContact CD2-CD2 3.82Å; F203-F217 AromaticContact CD2-CE2 3.81Å; F203-F217 HydrophobicContact CD2-CE2 3.81Å; F203-F217 AromaticContact CE2-CD2 3.78Å; F203-F217 HydrophobicContact CE2-CD2 3.78Å; F203-F217 AromaticContact CE2-CE2 3.87Å; F203-F217 HydrophobicContact CE2-CE2 3.87Å
204	W	98.3	Very high	96.9	Very high	30 Å²	30	33.2 Å²	33.2	11%	0.114	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	131.5	179.5	176.6	104.8	0	0	0	109.7	Y25 Y116 K121 R122 Q123 H212 D213 R214	Y25-W204 AromaticContact CD1-CH2 3.95Å; Y25-W204 HydrophobicContact CD1-CH2 3.95Å; Y25-W204 AromaticContact CE1-CH2 3.66Å; Y25-W204 HydrophobicContact CE1-CH2 3.66Å; Y25-W204 HydrophobicContact CE1-CZ3 4.43Å; Y116-W204 HydrophobicContact CE2-CZ3 4.44Å; K121-W204 VanDerWaalsContact O-CZ3 3.32Å; K121-W204 WeakPolarHBondContact O-CZ3 3.34Å; R122-W204 WeakPolarHBondContact CA-O 3.4Å; Q123-W204 HydrophobicContact CB-CB 4.14Å; Q123-W204 HydrophobicContact CB-CD2 4.36Å; Q123-W204 HydrophobicContact CB-CE3 3.82Å; Q123-W204 PolarHBondContact N-O 2.91Å; Q123-W204 PolarHBondContact O-N 2.72Å; W204-H212 AromaticContact CE2-CG 3.7Å; W204-H212 AromaticContact CE2-ND1 3.8Å; W204-H212 HydrophobicContact CZ2-CB 4.23Å; W204-H212 AromaticContact CZ2-CD2 3.9Å; W204-H212 AromaticContact CZ2-CE1 3.46Å; W204-H212 VanDerWaalsContact CZ2-CE1 3.46Å; W204-H212 WeakPolarHBondContact CZ2-CE1 3.25Å; W204-H212 AromaticContact CZ2-CG 3.53Å; W204-H212 AromaticContact CZ2-ND1 3.24Å; W204-H212 WeakPolarHBondContact CZ2-ND1 3.43Å; W204-H212 AromaticContact CZ2-NE2 3.85Å; W204-H212 AromaticContact NE1-CD2 3.95Å; W204-H212 AromaticContact NE1-CG 3.51Å; W204-D213 CarbonylContact C-O 3.57Å; W204-D213 VanDerWaalsContact CA-O 3.29Å; W204-D213 WeakPolarHBondContact CA-O 3.44Å; W204-R214 HydrophobicContact CG-CG 4.41Å
205	Q	97.8	Very high	96.8	Very high	2 Å²	2	33 Å²	33	1%	0.009	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	129.5	172.1	-178.8	170.9	-84.1	0	0	110.8	R26 D30 F32 W49 R122 D213	R26-Q205 VanDerWaalsContact CD-CG 3.45Å; D30-Q205 PolarHBondContact O-NE2 3.01Å; F32-Q205 HydrophobicContact CB-CB 3.94Å; F32-Q205 HydrophobicContact CB-CG 4.4Å; F32-Q205 HydrophobicContact CD1-CB 4.35Å; F32-Q205 HydrophobicContact CG-CB 4.44Å; W49-Q205 HydrophobicContact CH2-CB 4.24Å; R122-Q205 HydrophobicContact CG-CB 4.33Å; R122-Q205 HydrophobicContact CG-CG 4.24Å; R122-Q205 VanDerWaalsContact NH2-OE1 3.15Å; Q205-D213 HydrophobicContact CB-CB 4.16Å; Q205-D213 PolarHBondContact N-O 3.27Å; Q205-D213 PolarHBondContact O-N 3.11Å
206	G	96.7	Very high	96.8	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.176	C	C	.	.			trans	-71	126.5	-176.6	0	0	0	0	0	112.9	Y25 R26 K121 H212	Y25-G206 WeakPolarHBondContact CB-O 3.38Å; R26-G206 WeakPolarHBondContact CB-O 3.45Å; R26-G206 PolarHBondContact N-O 3.42Å; K121-G206 PolarHBondContact O-N 2.78Å; G206-H212 WeakPolarHBondContact CA-ND1 3.42Å
207	Q	96	Very high	96.8	Very high	7 Å²	7	36.5 Å²	36.5	3%	0.033	18%	0.176	C	C	.	.	B	Isolated β-bridge	trans	-111.2	139.2	170.7	-68.4	-62.7	-19.4	0	0	110.5	R26 K27 D30 N209 R210 L211 H212 D213	R26-Q207 PolarHBondContact O-OE1 3.48Å; K27-Q207 PolarHBondContact O-OE1 3.44Å; D30-Q207 PolarHBondContact O-NE2 3.21Å; Q207-N209 VanDerWaalsContact C-N 3.26Å; Q207-N209 WeakPolarHBondContact CB-OD1 3.5Å; Q207-N209 PolarHBondContact O-N 3.31Å; Q207-R210 PolarHBondContact O-N 2.94Å; Q207-L211 WeakPolarHBondContact CB-O 3.43Å; Q207-L211 VanDerWaalsContact CG-O 3.25Å; Q207-L211 WeakPolarHBondContact CG-O 3.28Å; Q207-H212 PolarHBondContact N-ND1 3.17Å; Q207-H212 VanDerWaalsContact N-ND1 3.11Å; Q207-H212 PolarHBondContact O-CE1 3.42Å; Q207-D213 PolarHBondContact NE2-OD2 2.89Å
208	T	92.8	Very high	96.7	Very high	67 Å²	67	37.4 Å²	37.4	41%	0.411	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-33.7	-173.6	-65.3	0	0	0	0	112.9	P24 Y25 R26 R210	P24-T208 HydrophobicContact CB-CG2 4.23Å; Y25-T208 VanDerWaalsContact C-OG1 3.31Å; Y25-T208 PolarHBondContact N-OG1 3.15Å; Y25-T208 PolarHBondContact O-OG1 3.13Å; R26-T208 WeakPolarHBondContact O-CB 3.35Å; R26-T208 PolarHBondContact O-N 3.25Å; R26-T208 PolarHBondContact O-OG1 3.32Å; T208-R210 PolarHBondContact O-N 3.38Å
209	N	91.8	Very high	96.6	Very high	96 Å²	96	41.5 Å²	41.5	51%	0.513	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	1.9	176.4	67.2	-5.2	0	0	0	114	Q207 L211	Q207-N209 VanDerWaalsContact C-N 3.26Å; Q207-N209 WeakPolarHBondContact CB-OD1 3.5Å; Q207-N209 PolarHBondContact O-N 3.31Å; N209-L211 PolarHBondContact O-N 2.97Å; N209-L211 WeakPolarHBondContact OD1-CB 3.49Å; N209-L211 PolarHBondContact OD1-N 3.45Å
210	R	91.4	Very high	95.9	Very high	94 Å²	94	37.6 Å²	37.6	36%	0.355	17%	0.174	S	C	.	.	S	Bend	trans	70.4	5.5	-176.7	-46.3	-58	179.1	151.5	-10.7	115.8	V23 Y25 Q207 T208 H212	V23-R210 PolarHBondContact O-NH2 2.87Å; Y25-R210 VanDerWaalsContact CE2-CZ 3.46Å; Y25-R210 PolarHBondContact OH-NH1 2.82Å; Q207-R210 PolarHBondContact O-N 2.94Å; T208-R210 PolarHBondContact O-N 3.38Å; R210-H212 PolarHBondContact O-CD2 3.01Å; R210-H212 VanDerWaalsContact O-CD2 3.3Å; R210-H212 PolarHBondContact O-N 2.78Å
211	L	93.1	Very high	94.8	Very high	108 Å²	108	45 Å²	45	57%	0.565	21%	0.212	S	C	*	.			trans	-83	67.6	166	-58.8	-178.1	0	0	0	109.1	Q207 N209 P246	Q207-L211 WeakPolarHBondContact CB-O 3.43Å; Q207-L211 VanDerWaalsContact CG-O 3.25Å; Q207-L211 WeakPolarHBondContact CG-O 3.28Å; N209-L211 PolarHBondContact O-N 2.97Å; N209-L211 WeakPolarHBondContact OD1-CB 3.49Å; N209-L211 PolarHBondContact OD1-N 3.45Å; L211-P246 HydrophobicContact CD2-CG 4.12Å
212	H	96.4	Very high	93.4	Very high	22 Å²	22	52.8 Å²	52.8	10%	0.102	25%	0.249	C	C	.	.			trans	-57.1	146.6	-178.1	-61.4	-58.9	0	0	0	113.1	W204 G206 Q207 R210 R214 P246	W204-H212 AromaticContact CE2-CG 3.7Å; W204-H212 AromaticContact CE2-ND1 3.8Å; W204-H212 HydrophobicContact CZ2-CB 4.23Å; W204-H212 AromaticContact CZ2-CD2 3.9Å; W204-H212 AromaticContact CZ2-CE1 3.46Å; W204-H212 VanDerWaalsContact CZ2-CE1 3.46Å; W204-H212 WeakPolarHBondContact CZ2-CE1 3.25Å; W204-H212 AromaticContact CZ2-CG 3.53Å; W204-H212 AromaticContact CZ2-ND1 3.24Å; W204-H212 WeakPolarHBondContact CZ2-ND1 3.43Å; W204-H212 AromaticContact CZ2-NE2 3.85Å; W204-H212 AromaticContact NE1-CD2 3.95Å; W204-H212 AromaticContact NE1-CG 3.51Å; G206-H212 WeakPolarHBondContact CA-ND1 3.42Å; Q207-H212 PolarHBondContact N-ND1 3.17Å; Q207-H212 VanDerWaalsContact N-ND1 3.11Å; Q207-H212 PolarHBondContact O-CE1 3.42Å; R210-H212 PolarHBondContact O-CD2 3.01Å; R210-H212 VanDerWaalsContact O-CD2 3.3Å; R210-H212 PolarHBondContact O-N 2.78Å; H212-R214 HydrophobicContact CB-CG 4.47Å; H212-P246 HydrophobicContact CB-CB 4.1Å
213	D	97.1	Very high	91.8	Very high	4 Å²	4	57.5 Å²	57.5	2%	0.021	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	125.5	173.8	-62.9	-44.8	0	0	0	109.3	F32 W204 Q205 Q207 R243	F32-D213 HydrophobicContact CB-CB 3.81Å; F32-D213 HydrophobicContact CD1-CB 4.03Å; F32-D213 HydrophobicContact CG-CB 4.43Å; F32-D213 PolarHBondContact N-OD2 3.14Å; F32-D213 WeakPolarHBondContact O-CB 3.42Å; W204-D213 CarbonylContact C-O 3.57Å; W204-D213 VanDerWaalsContact CA-O 3.29Å; W204-D213 WeakPolarHBondContact CA-O 3.44Å; Q205-D213 HydrophobicContact CB-CB 4.16Å; Q205-D213 PolarHBondContact N-O 3.27Å; Q205-D213 PolarHBondContact O-N 3.11Å; Q207-D213 PolarHBondContact NE2-OD2 2.89Å; D213-R243 IonicContact OD1-CZ 2.85Å; D213-R243 IonicContact OD1-NH1 2.66Å; D213-R243 IonicContact OD1-NH2 3.63Å; D213-R243 PolarHBondContact OD1-NH2 3.38Å
214	R	97.9	Very high	90.1	Very high	50 Å²	50	58.4 Å²	58.4	19%	0.189	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	116.4	-175.6	-63.2	-179.9	64.8	-165.4	-8.6	109.7	E202 F203 W204 H212 R243 L244 A245 P246	E202-R214 IonicContact OE1-CZ 2.66Å; E202-R214 VanDerWaalsContact OE1-CZ 3.24Å; E202-R214 IonicContact OE1-NE 3.61Å; E202-R214 PolarHBondContact OE1-NE 3.14Å; E202-R214 IonicContact OE1-NH2 3.3Å; E202-R214 PolarHBondContact OE1-NH2 2.9Å; E202-R214 IonicContact OE2-NH2 3.68Å; F203-R214 WeakPolarHBondContact O-CA 3.33Å; W204-R214 HydrophobicContact CG-CG 4.41Å; H212-R214 HydrophobicContact CB-CG 4.47Å; R214-R243 CarbonylContact O-C 3.57Å; R214-R243 WeakPolarHBondContact O-CA 3.26Å; R214-L244 HydrophobicContact CB-CB 3.86Å; R214-L244 PolarHBondContact O-N 3.39Å; R214-A245 WeakPolarHBondContact CD-O 3.43Å; R214-A245 PolarHBondContact NH1-O 3.27Å; R214-A245 VanDerWaalsContact NH1-O 3.12Å; R214-P246 WeakPolarHBondContact CD-OXT 3.33Å; R214-P246 VanDerWaalsContact NH1-C 3.34Å; R214-P246 PolarHBondContact NH1-OXT 3Å
215	I	98.2	Very high	88.3	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	121.4	178	-61.1	178.7	0	0	0	107.9	F32 I34 L37 E202 F203 F217 Y241 E242	F32-I215 HydrophobicContact CD1-CD1 3.98Å; F32-I215 HydrophobicContact CD1-CG1 4.27Å; F32-I215 HydrophobicContact CE1-CB 3.9Å; F32-I215 HydrophobicContact CE1-CD1 3.6Å; F32-I215 HydrophobicContact CE1-CG1 3.81Å; F32-I215 HydrophobicContact CE2-CD1 4.31Å; F32-I215 HydrophobicContact CG-CD1 4.48Å; F32-I215 HydrophobicContact CZ-CB 4.32Å; F32-I215 HydrophobicContact CZ-CD1 3.78Å; F32-I215 HydrophobicContact CZ-CG1 4.37Å; I34-I215 HydrophobicContact CG1-CD1 3.82Å; I34-I215 HydrophobicContact CG1-CG1 4.14Å; I34-I215 HydrophobicContact CG1-CG2 4.31Å; L37-I215 HydrophobicContact CD1-CD1 4.36Å; L37-I215 HydrophobicContact CD1-CG2 4.28Å; L37-I215 HydrophobicContact CD2-CD1 3.73Å; L37-I215 HydrophobicContact CG-CD1 4.2Å; E202-I215 CarbonylContact C-O 3.57Å; E202-I215 WeakPolarHBondContact CA-O 3.38Å; F203-I215 PolarHBondContact N-O 2.81Å; F203-I215 PolarHBondContact O-N 3.44Å; I215-F217 HydrophobicContact CG2-CD2 4.32Å; I215-F217 HydrophobicContact CG2-CE2 3.81Å; I215-F217 HydrophobicContact CG2-CZ 4.47Å; I215-Y241 HydrophobicContact CG2-CD2 4.45Å; I215-E242 WeakPolarHBondContact CA-O 3.2Å
216	R	98	Very high	86.5	Confident	86 Å²	86	71 Å²	71	33%	0.325	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	128.7	179.1	178.3	175.2	66.3	-173.7	1	109.8	E202 Y241 E242 L244	E202-R216 HydrophobicContact CB-CB 4.48Å; E202-R216 HydrophobicContact CG-CB 4.5Å; R216-Y241 CarbonylContact O-C 3.59Å; R216-Y241 WeakPolarHBondContact O-CA 3.21Å; R216-E242 IonicContact CZ-OE1 2.69Å; R216-E242 PolarHBondContact N-O 3.25Å; R216-E242 IonicContact NE-OE1 2.99Å; R216-E242 PolarHBondContact NE-OE1 2.74Å; R216-E242 IonicContact NH2-OE1 3.52Å; R216-E242 PolarHBondContact NH2-OE1 2.86Å; R216-E242 PolarHBondContact O-N 3.08Å; R216-L244 HydrophobicContact CB-CD1 3.8Å; R216-L244 HydrophobicContact CB-CD2 4.48Å; R216-L244 HydrophobicContact CB-CG 4.08Å
217	F	98.1	Very high	84.6	Confident	0 Å²	0	78 Å²	78	0%	0	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	138.3	164.7	-66	-105	0	0	0	108.7	L37 K40 P42 L45 S200 I201 F203 I215 W239 V240 Y241	L37-F217 HydrophobicContact CD1-CZ 4.03Å; K40-F217 WeakPolarHBondContact O-CE1 3.42Å; P42-F217 HydrophobicContact CB-CB 3.71Å; P42-F217 HydrophobicContact CB-CD1 3.86Å; P42-F217 HydrophobicContact CB-CD2 3.89Å; P42-F217 HydrophobicContact CB-CE1 4.46Å; P42-F217 HydrophobicContact CB-CE2 4.47Å; P42-F217 HydrophobicContact CB-CG 3.55Å; P42-F217 HydrophobicContact CG-CB 3.8Å; P42-F217 HydrophobicContact CG-CD1 3.97Å; P42-F217 HydrophobicContact CG-CG 3.95Å; L45-F217 HydrophobicContact CD2-CE2 3.67Å; L45-F217 HydrophobicContact CD2-CZ 3.9Å; S200-F217 CarbonylContact C-O 3.59Å; S200-F217 VanDerWaalsContact CA-O 3.25Å; S200-F217 WeakPolarHBondContact CA-O 3.35Å; I201-F217 PolarHBondContact N-O 3.18Å; I201-F217 PolarHBondContact O-N 3.32Å; F203-F217 AromaticContact CD2-CD2 3.82Å; F203-F217 HydrophobicContact CD2-CD2 3.82Å; F203-F217 AromaticContact CD2-CE2 3.81Å; F203-F217 HydrophobicContact CD2-CE2 3.81Å; F203-F217 AromaticContact CE2-CD2 3.78Å; F203-F217 HydrophobicContact CE2-CD2 3.78Å; F203-F217 AromaticContact CE2-CE2 3.87Å; F203-F217 HydrophobicContact CE2-CE2 3.87Å; I215-F217 HydrophobicContact CG2-CD2 4.32Å; I215-F217 HydrophobicContact CG2-CE2 3.81Å; I215-F217 HydrophobicContact CG2-CZ 4.47Å; F217-W239 HydrophobicContact CB-CE3 3.9Å; F217-W239 HydrophobicContact CB-CZ3 4.35Å; F217-W239 HydrophobicContact CD1-CB 4.4Å; F217-V240 CarbonylContact C-O 3.58Å; F217-V240 VanDerWaalsContact CA-O 3.28Å; F217-V240 WeakPolarHBondContact CA-O 3.27Å; F217-Y241 HydrophobicContact CD1-CD1 4.29Å; F217-Y241 HydrophobicContact CD1-CG 4.16Å; F217-Y241 AromaticContact CE1-CD1 3.88Å; F217-Y241 HydrophobicContact CE1-CD1 3.88Å; F217-Y241 AromaticContact CE1-CG 3.8Å; F217-Y241 HydrophobicContact CE1-CG 3.8Å; F217-Y241 HydrophobicContact CZ-CG 4.2Å
218	R	97.3	Very high	82.7	Confident	65 Å²	65	84.1 Å²	84.1	25%	0.245	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	149.2	174.5	58.4	-178.2	170.8	77.9	3.3	111.2	K199 C220 V240 E242	K199-R218 WeakPolarHBondContact O-CA 3.31Å; R218-C220 PolarHBondContact NH1-SG 3.07Å; R218-C220 VanDerWaalsContact NH1-SG 3.44Å; R218-V240 HydrophobicContact CG-CG2 3.67Å; R218-V240 PolarHBondContact N-O 2.78Å; R218-V240 PolarHBondContact O-N 2.97Å; R218-E242 IonicContact CZ-OE2 2.71Å; R218-E242 IonicContact NE-OE1 3.9Å; R218-E242 PolarHBondContact NE-OE1 3.39Å; R218-E242 VanDerWaalsContact NE-OE1 3.09Å; R218-E242 IonicContact NE-OE2 3.97Å; R218-E242 PolarHBondContact NE-OE2 3.24Å; R218-E242 IonicContact NH2-OE2 3.49Å; R218-E242 PolarHBondContact NH2-OE2 3.01Å
219	R	94.7	Very high	81.3	Confident	93 Å²	93	83 Å²	83	35%	0.351	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	139.3	168.5	-66.2	-63.2	-169.2	173.9	-1.1	108.6	K199 N237 W239	K199-R219 HydrophobicContact CD-CB 4.45Å; K199-R219 HydrophobicContact CD-CG 4.11Å; K199-R219 PolarHBondContact O-N 3.46Å; R219-N237 PolarHBondContact NH1-O 2.68Å; R219-W239 HydrophobicContact CG-CE3 4.29Å; R219-W239 HydrophobicContact CG-CH2 3.91Å; R219-W239 HydrophobicContact CG-CZ2 4.3Å; R219-W239 HydrophobicContact CG-CZ3 3.91Å; R219-W239 VanDerWaalsContact CZ-CE2 3.41Å
220	C	83.3	Confident	80.8	Confident	36 Å²	36	87.4 Å²	87.4	24%	0.243	42%	0.421	C	S	.	.			trans	-127	125.9	175.2	-140.3	0	0	0	0	108.7	R218 Q222 V240	R218-C220 PolarHBondContact NH1-SG 3.07Å; R218-C220 VanDerWaalsContact NH1-SG 3.44Å; C220-Q222 VanDerWaalsContact C-N 3.28Å; C220-Q222 PolarHBondContact SG-O 2.72Å; C220-V240 HydrophobicContact CB-CG1 3.93Å; C220-V240 HydrophobicContact CB-CG2 3.95Å
221	D	76.1	Confident	80.8	Confident	173 Å²	173	89 Å²	89	93%	0.925	44%	0.436	S	S	*	.	S	Bend	trans	-71	-29.6	177.9	-60.9	-34.4	0	0	0	111.4
222	Q	68.9	Low	80.7	Confident	165 Å²	165	85.2 Å²	85.2	77%	0.771	42%	0.417	S	S	*	.	S	Bend	trans	-122.9	123.4	171.2	-66.7	179.1	-20.8	0	0	108.4	C220 P224	C220-Q222 VanDerWaalsContact C-N 3.28Å; C220-Q222 PolarHBondContact SG-O 2.72Å; Q222-P224 WeakPolarHBondContact O-CD 3.4Å
223	I	65.6	Low	80.6	Confident	109 Å²	109	87.5 Å²	87.5	56%	0.559	43%	0.428	S	S	*	.	P	Polyproline II helix	trans	-67.8	122.3	172.9	-61.5	173.6	0	0	0	106.4	E225 V234	I223-E225 PolarHBondContact O-N 2.79Å; I223-V234 HydrophobicContact CG2-CG1 4.11Å; I223-V234 HydrophobicContact CG2-CG2 3.72Å
224	P	62.7	Low	80.4	Confident	20 Å²	20	90.6 Å²	90.6	13%	0.13	45%	0.447	C	S	.	.	P	Polyproline II helix	trans	-57	137.5	177.2	-20.4	31	0	0	0	109.7	Q222 E228 V232	Q222-P224 WeakPolarHBondContact O-CD 3.4Å; P224-E228 WeakPolarHBondContact CA-OE2 3.39Å; P224-E228 HydrophobicContact CB-CB 4.12Å; P224-V232 HydrophobicContact CG-CG1 4.09Å
225	E	61.3	Low	80.2	Confident	138 Å²	138	88.9 Å²	88.9	65%	0.645	45%	0.445	S	S	*	.	P	Polyproline II helix	trans	-56.9	146.7	164.4	-69.9	-169.8	174.9	0	0	108.2	I223 N227 E228	I223-E225 PolarHBondContact O-N 2.79Å; E225-N227 PolarHBondContact O-N 2.94Å; E225-E228 HydrophobicContact CB-CG 4.27Å; E225-E228 PolarHBondContact O-N 2.75Å
226	I	59.4	Low	80	Confident	158 Å²	158	92.9 Å²	92.9	81%	0.81	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.1	-21.4	-178.5	-64	172.2	0	0	0	111.9
227	N	56.2	Low	79.8	Confident	146 Å²	146	94.5 Å²	94.5	78%	0.781	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.6	-5.5	-178.6	-61.7	-29.1	0	0	0	115.8	E225	E225-N227 PolarHBondContact O-N 2.94Å
228	E	56	Low	79.5	Confident	137 Å²	137	96.3 Å²	96.3	64%	0.64	50%	0.497	S	S	*	.	S	Bend	trans	-77.6	-21.3	-174.4	-77.4	-174.7	171.4	0	0	113.7	P224 E225	P224-E228 WeakPolarHBondContact CA-OE2 3.39Å; P224-E228 HydrophobicContact CB-CB 4.12Å; E225-E228 HydrophobicContact CB-CG 4.27Å; E225-E228 PolarHBondContact O-N 2.75Å
229	S	64.9	Low	79.4	Confident	44 Å²	44	93.4 Å²	93.4	31%	0.308	49%	0.486	S	S	.	.			trans	-170.5	120.6	171.3	175.1	0	0	0	0	110.1	L231 V232	S229-L231 PolarHBondContact O-N 2.89Å; S229-L231 WeakPolarHBondContact OG-CB 3.44Å; S229-L231 PolarHBondContact OG-N 2.98Å; S229-V232 PolarHBondContact O-N 2.84Å; S229-V232 VanDerWaalsContact O-N 3.14Å
230	E	81.2	Confident	79.5	Confident	187 Å²	187	89 Å²	89	87%	0.874	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-13.5	172.6	-66.9	-175.4	164.7	0	0	113.4
231	L	90.3	Very high	80.1	Confident	127 Å²	127	87.8 Å²	87.8	67%	0.665	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.1	-15.4	-175.6	-52.3	177.9	0	0	0	113.9	S229 E242	S229-L231 PolarHBondContact O-N 2.89Å; S229-L231 WeakPolarHBondContact OG-CB 3.44Å; S229-L231 PolarHBondContact OG-N 2.98Å; L231-E242 VanDerWaalsContact O-CB 3.28Å; L231-E242 WeakPolarHBondContact O-CB 3.19Å
232	V	92.3	Very high	81	Confident	30 Å²	30	80.5 Å²	80.5	18%	0.182	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	122.3	-175.3	-174	0	0	0	0	109.8	P224 S229 V240	P224-V232 HydrophobicContact CG-CG1 4.09Å; S229-V232 PolarHBondContact O-N 2.84Å; S229-V232 VanDerWaalsContact O-N 3.14Å; V232-V240 HydrophobicContact CG1-CB 3.84Å; V232-V240 HydrophobicContact CG1-CG1 4.43Å; V232-V240 HydrophobicContact CG1-CG2 4.04Å
233	H	93.3	Very high	82.3	Confident	69 Å²	69	77.3 Å²	77.3	32%	0.319	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	143	-179.6	-55.4	-83.8	0	0	0	111	G235 V240 Y241	H233-G235 PolarHBondContact O-N 2.66Å; H233-V240 CarbonylContact O-C 3.5Å; H233-V240 VanDerWaalsContact O-CA 3.3Å; H233-V240 WeakPolarHBondContact O-CA 3.47Å; H233-Y241 HydrophobicContact CB-CD1 4.17Å; H233-Y241 HydrophobicContact CB-CD2 4.08Å; H233-Y241 HydrophobicContact CB-CE1 3.71Å; H233-Y241 HydrophobicContact CB-CE2 3.6Å; H233-Y241 HydrophobicContact CB-CG 4.34Å; H233-Y241 PolarHBondContact N-O 3.02Å; H233-Y241 PolarHBondContact O-N 3.19Å
234	V	92.9	Very high	83.7	Confident	69 Å²	69	73.8 Å²	73.8	42%	0.418	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	121.6	175.2	-176.6	0	0	0	0	109.4	I223 Y241	I223-V234 HydrophobicContact CG2-CG1 4.11Å; I223-V234 HydrophobicContact CG2-CG2 3.72Å; V234-Y241 WeakPolarHBondContact O-CE1 3.3Å
235	G	94.1	Very high	85.2	Confident	14 Å²	14	76.6 Å²	76.6	14%	0.144	41%	0.408	C	S	.	.			trans	-92.1	-167.2	173.5	0	0	0	0	0	112.9	K40 H233 W239	K40-G235 WeakPolarHBondContact O-CA 3.15Å; H233-G235 PolarHBondContact O-N 2.66Å; G235-W239 CarbonylContact C-O 3.6Å; G235-W239 WeakPolarHBondContact CA-O 3.45Å; G235-W239 PolarHBondContact N-O 2.88Å
236	E	94	Very high	86.5	Confident	85 Å²	85	74.1 Å²	74.1	40%	0.397	40%	0.404	S	S	.	.	S	Bend	trans	-93.6	159.8	175.7	-72.3	160.7	-158.9	0	0	110.5	K40 D41 G238 W239	K40-E236 HydrophobicContact CB-CG 4.02Å; K40-E236 PolarHBondContact O-N 2.98Å; D41-E236 HydrophobicContact CB-CB 4.13Å; E236-G238 VanDerWaalsContact C-N 3.28Å; E236-G238 PolarHBondContact O-N 2.93Å; E236-G238 VanDerWaalsContact O-N 3.11Å; E236-W239 WeakPolarHBondContact O-CB 3.43Å; E236-W239 VanDerWaalsContact O-CD1 3.26Å; E236-W239 PolarHBondContact O-N 2.7Å; E236-W239 VanDerWaalsContact O-N 3.08Å
237	N	92.9	Very high	87.9	Confident	119 Å²	119	70 Å²	70	64%	0.636	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	53	36.2	171.3	-59.2	-38.3	0	0	0	115.7	D41 R219	D41-N237 PolarHBondContact OD2-ND2 2.86Å; R219-N237 PolarHBondContact NH1-O 2.68Å
238	G	92.8	Very high	89.6	Confident	39 Å²	39	65.9 Å²	65.9	40%	0.402	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	79	19	177.3	0	0	0	0	0	114.6	E236	E236-G238 VanDerWaalsContact C-N 3.28Å; E236-G238 PolarHBondContact O-N 2.93Å; E236-G238 VanDerWaalsContact O-N 3.11Å
239	W	95.2	Very high	91.4	Very high	3 Å²	3	62 Å²	62	1%	0.011	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	147.3	171.1	-67.2	98.8	0	0	0	111.3	P42 P198 I201 F217 R219 G235 E236	P42-W239 VanDerWaalsContact CD-CD1 3.44Å; P42-W239 HydrophobicContact CG-CD2 3.47Å; P42-W239 VanDerWaalsContact CG-CD2 3.47Å; P42-W239 VanDerWaalsContact CG-CE2 3.43Å; P42-W239 HydrophobicContact CG-CE3 3.9Å; P42-W239 HydrophobicContact CG-CG 3.78Å; P42-W239 HydrophobicContact CG-CH2 4.27Å; P42-W239 HydrophobicContact CG-CZ2 3.86Å; P42-W239 HydrophobicContact CG-CZ3 4.28Å; P198-W239 HydrophobicContact CB-CH2 4.03Å; P198-W239 HydrophobicContact CB-CZ2 4.46Å; P198-W239 HydrophobicContact CG-CH2 4.12Å; P198-W239 HydrophobicContact CG-CZ2 4.04Å; P198-W239 WeakPolarHBondContact O-CH2 3.49Å; I201-W239 HydrophobicContact CD1-CH2 4.42Å; I201-W239 HydrophobicContact CG1-CH2 4.44Å; F217-W239 HydrophobicContact CB-CE3 3.9Å; F217-W239 HydrophobicContact CB-CZ3 4.35Å; F217-W239 HydrophobicContact CD1-CB 4.4Å; R219-W239 HydrophobicContact CG-CE3 4.29Å; R219-W239 HydrophobicContact CG-CH2 3.91Å; R219-W239 HydrophobicContact CG-CZ2 4.3Å; R219-W239 HydrophobicContact CG-CZ3 3.91Å; R219-W239 VanDerWaalsContact CZ-CE2 3.41Å; G235-W239 CarbonylContact C-O 3.6Å; G235-W239 WeakPolarHBondContact CA-O 3.45Å; G235-W239 PolarHBondContact N-O 2.88Å; E236-W239 WeakPolarHBondContact O-CB 3.43Å; E236-W239 VanDerWaalsContact O-CD1 3.26Å; E236-W239 PolarHBondContact O-N 2.7Å; E236-W239 VanDerWaalsContact O-N 3.08Å
240	V	95.5	Very high	93	Very high	1 Å²	1	63.1 Å²	63.1	1%	0.006	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	155.8	160.1	-59.8	0	0	0	0	108.6	F217 R218 C220 V232 H233	F217-V240 CarbonylContact C-O 3.58Å; F217-V240 VanDerWaalsContact CA-O 3.28Å; F217-V240 WeakPolarHBondContact CA-O 3.27Å; R218-V240 HydrophobicContact CG-CG2 3.67Å; R218-V240 PolarHBondContact N-O 2.78Å; R218-V240 PolarHBondContact O-N 2.97Å; C220-V240 HydrophobicContact CB-CG1 3.93Å; C220-V240 HydrophobicContact CB-CG2 3.95Å; V232-V240 HydrophobicContact CG1-CB 3.84Å; V232-V240 HydrophobicContact CG1-CG1 4.43Å; V232-V240 HydrophobicContact CG1-CG2 4.04Å; H233-V240 CarbonylContact O-C 3.5Å; H233-V240 VanDerWaalsContact O-CA 3.3Å; H233-V240 WeakPolarHBondContact O-CA 3.47Å
241	Y	96	Very high	93.7	Very high	11 Å²	11	55.3 Å²	55.3	4%	0.043	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	150.6	-178.9	65.6	-84.7	0	0	0	113.1	I34 L37 K40 I215 R216 F217 H233 V234	I34-Y241 HydrophobicContact CB-CE2 4.4Å; I34-Y241 HydrophobicContact CD1-CD2 4.15Å; I34-Y241 HydrophobicContact CD1-CE2 4.33Å; I34-Y241 HydrophobicContact CG1-CD2 4.09Å; I34-Y241 HydrophobicContact CG1-CE2 4.09Å; I34-Y241 HydrophobicContact CG2-CE2 3.8Å; L37-Y241 HydrophobicContact CD1-CD2 3.74Å; L37-Y241 HydrophobicContact CD1-CE2 3.55Å; K40-Y241 HydrophobicContact CB-CE1 4.25Å; K40-Y241 HydrophobicContact CD-CE1 4.32Å; K40-Y241 HydrophobicContact CG-CE1 4.18Å; I215-Y241 HydrophobicContact CG2-CD2 4.45Å; R216-Y241 CarbonylContact O-C 3.59Å; R216-Y241 WeakPolarHBondContact O-CA 3.21Å; F217-Y241 HydrophobicContact CD1-CD1 4.29Å; F217-Y241 HydrophobicContact CD1-CG 4.16Å; F217-Y241 AromaticContact CE1-CD1 3.88Å; F217-Y241 HydrophobicContact CE1-CD1 3.88Å; F217-Y241 AromaticContact CE1-CG 3.8Å; F217-Y241 HydrophobicContact CE1-CG 3.8Å; F217-Y241 HydrophobicContact CZ-CG 4.2Å; H233-Y241 HydrophobicContact CB-CD1 4.17Å; H233-Y241 HydrophobicContact CB-CD2 4.08Å; H233-Y241 HydrophobicContact CB-CE1 3.71Å; H233-Y241 HydrophobicContact CB-CE2 3.6Å; H233-Y241 HydrophobicContact CB-CG 4.34Å; H233-Y241 PolarHBondContact N-O 3.02Å; H233-Y241 PolarHBondContact O-N 3.19Å; V234-Y241 WeakPolarHBondContact O-CE1 3.3Å
242	E	95.5	Very high	94	Very high	20 Å²	20	50.5 Å²	50.5	9%	0.093	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	152	-173.2	65.8	-148.5	167.1	0	0	110.3	I215 R216 R218 L231 L244	I215-E242 WeakPolarHBondContact CA-O 3.2Å; R216-E242 IonicContact CZ-OE1 2.69Å; R216-E242 PolarHBondContact N-O 3.25Å; R216-E242 IonicContact NE-OE1 2.99Å; R216-E242 PolarHBondContact NE-OE1 2.74Å; R216-E242 IonicContact NH2-OE1 3.52Å; R216-E242 PolarHBondContact NH2-OE1 2.86Å; R216-E242 PolarHBondContact O-N 3.08Å; R218-E242 IonicContact CZ-OE2 2.71Å; R218-E242 IonicContact NE-OE1 3.9Å; R218-E242 PolarHBondContact NE-OE1 3.39Å; R218-E242 VanDerWaalsContact NE-OE1 3.09Å; R218-E242 IonicContact NE-OE2 3.97Å; R218-E242 PolarHBondContact NE-OE2 3.24Å; R218-E242 IonicContact NH2-OE2 3.49Å; R218-E242 PolarHBondContact NH2-OE2 3.01Å; L231-E242 VanDerWaalsContact O-CB 3.28Å; L231-E242 WeakPolarHBondContact O-CB 3.19Å; E242-L244 HydrophobicContact CG-CD2 4.09Å
243	R	95.7	Very high	94.1	Very high	98 Å²	98	52 Å²	52	37%	0.37	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	128.2	176.9	-179.3	174	-176.2	97.6	9.6	107.6	F32 D33 I34 D213 R214	F32-R243 PolarHBondContact O-NH1 3.25Å; D33-R243 IonicContact OD1-CZ 3.1Å; D33-R243 IonicContact OD1-NE 3.9Å; D33-R243 IonicContact OD1-NH1 3.59Å; D33-R243 PolarHBondContact OD1-NH1 3.45Å; I34-R243 HydrophobicContact CD1-CB 3.59Å; I34-R243 VanDerWaalsContact CD1-N 3.3Å; I34-R243 HydrophobicContact CG1-CB 4.27Å; D213-R243 IonicContact OD1-CZ 2.85Å; D213-R243 IonicContact OD1-NH1 2.66Å; D213-R243 IonicContact OD1-NH2 3.63Å; D213-R243 PolarHBondContact OD1-NH2 3.38Å; R214-R243 CarbonylContact O-C 3.57Å; R214-R243 WeakPolarHBondContact O-CA 3.26Å
244	L	96.2	Very high	94.1	Very high	35 Å²	35	50.7 Å²	50.7	18%	0.183	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	150.9	175.4	-55.1	-177.5	0	0	0	109.9	E202 R214 R216 E242	E202-L244 HydrophobicContact CG-CD1 4.49Å; R214-L244 HydrophobicContact CB-CB 3.86Å; R214-L244 PolarHBondContact O-N 3.39Å; R216-L244 HydrophobicContact CB-CD1 3.8Å; R216-L244 HydrophobicContact CB-CD2 4.48Å; R216-L244 HydrophobicContact CB-CG 4.08Å; E242-L244 HydrophobicContact CG-CD2 4.09Å
245	A	94.5	Very high	94.3	Very high	78 Å²	78	49.2 Å²	49.2	65%	0.645	29%	0.291	S	S	*	.	P	Polyproline II helix	trans	-60.8	150	164.7	0	0	0	0	0	110.3	R214	R214-A245 WeakPolarHBondContact CD-O 3.43Å; R214-A245 PolarHBondContact NH1-O 3.27Å; R214-A245 VanDerWaalsContact NH1-O 3.12Å
246	P	88.8	Confident	94.3	Very high	87 Å²	87	52.4 Å²	52.4	57%	0.565	31%	0.305	S	S	*	.			trans	-56.5	0	-178.9	24.5	-35.6	0	0	0	113.8	L211 H212 R214	L211-P246 HydrophobicContact CD2-CG 4.12Å; H212-P246 HydrophobicContact CB-CB 4.1Å; R214-P246 WeakPolarHBondContact CD-OXT 3.33Å; R214-P246 VanDerWaalsContact NH1-C 3.34Å; R214-P246 PolarHBondContact NH1-OXT 3Å

Retrieved 246 of 246 residues in 257.9 ms (Link to these results)

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