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Uridylate-specific endoribonuclease

Endoribonuclease that cleaves single-stranded RNAs at uridylates and releases products that have 2'-3'-cyclic phosphate termini.

AlphaFold DB , UniProt , Accession A0A5K4F7F7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 294 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.5	Very low	43	Very low	226 Å²	226	147.8 Å²	147.8	100%	1.113	74%	0.738	S	S	*	*				0	94.7	0	-161.5	-177	-68.6	0	0	107.7	K3	M1-K3 PolarHBondContact O-N 3.46Å
2	I	36.8	Very low	43.8	Very low	160 Å²	160	141.8 Å²	141.8	82%	0.821	71%	0.714	S	S	*	*			trans	-79.3	109.5	-175.6	-65.8	169.4	0	0	0	107.8	I4	I2-I4 HydrophobicContact CG2-CG1 3.96Å; I2-I4 PolarHBondContact O-N 3.38Å
3	K	34.5	Very low	44	Very low	175 Å²	175	142.2 Å²	142.2	76%	0.761	71%	0.709	S	S	*	*			trans	-89.1	98.8	169.5	-83.9	-176.2	175.3	178.3	0	108.3	M1 F5	M1-K3 PolarHBondContact O-N 3.46Å; K3-F5 PolarHBondContact O-N 2.96Å
4	I	41.4	Very low	44.3	Very low	149 Å²	149	144.4 Å²	144.4	76%	0.764	71%	0.705	S	S	*	*			trans	-66.3	112.9	171.3	-60.5	176.1	0	0	0	107.5	I2 K6	I2-I4 HydrophobicContact CG2-CG1 3.96Å; I2-I4 PolarHBondContact O-N 3.38Å; I4-K6 PolarHBondContact O-N 3.12Å; I4-K6 VanDerWaalsContact O-N 3.12Å
5	F	43.5	Very low	44.8	Very low	185 Å²	185	141.7 Å²	141.7	81%	0.811	69%	0.694	S	S	*	*			trans	-63.5	107	174.2	-86.6	-99.4	0	0	0	109.4	K3 I7	K3-F5 PolarHBondContact O-N 2.96Å; F5-I7 VanDerWaalsContact C-N 3.29Å; F5-I7 PolarHBondContact O-N 3.23Å
6	K	43.4	Very low	44.9	Very low	202 Å²	202	141.1 Å²	141.1	88%	0.878	69%	0.687	S	S	*	*			trans	-70.4	91.8	159.4	-80.3	-175	175	-178.9	0	107.5	I4 G8	I4-K6 PolarHBondContact O-N 3.12Å; I4-K6 VanDerWaalsContact O-N 3.12Å; K6-G8 VanDerWaalsContact C-N 3.32Å; K6-G8 PolarHBondContact O-N 3.03Å
7	I	45.9	Very low	45.2	Very low	117 Å²	117	137.9 Å²	137.9	60%	0.6	68%	0.677	S	S	*	*			trans	-63.9	100.3	164	-66.4	171.3	0	0	0	105.8	F5 Q11	F5-I7 VanDerWaalsContact C-N 3.29Å; F5-I7 PolarHBondContact O-N 3.23Å; I7-Q11 HydrophobicContact CG2-CB 4.24Å
8	G	43	Very low	45.3	Very low	41 Å²	41	138.9 Å²	138.9	42%	0.423	67%	0.674	S	S	.	*			trans	-62.5	139.4	177.6	0	0	0	0	0	109.9	K6 I10 Q11	K6-G8 VanDerWaalsContact C-N 3.32Å; K6-G8 PolarHBondContact O-N 3.03Å; G8-I10 PolarHBondContact O-N 3.37Å; G8-Q11 PolarHBondContact O-N 3.5Å
9	V	51.1	Low	45.3	Very low	109 Å²	109	139.8 Å²	139.8	66%	0.661	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-45.6	-22.9	177.6	177.8	0	0	0	0	113.3	Q11 V12 F13	V9-Q11 VanDerWaalsContact C-N 3.31Å; V9-Q11 PolarHBondContact O-N 2.82Å; V9-V12 PolarHBondContact O-N 3.23Å; V9-F13 PolarHBondContact O-N 3.42Å
10	I	49.8	Very low	45.2	Very low	139 Å²	139	137.7 Å²	137.7	71%	0.713	67%	0.666	S	S	*	*	H	α-helix	trans	-63.3	-29.5	176.3	-58.9	173.6	0	0	0	113	G8 R14	G8-I10 PolarHBondContact O-N 3.37Å; I10-R14 PolarHBondContact O-N 3.46Å
11	Q	47.5	Very low	45.4	Very low	123 Å²	123	135.7 Å²	135.7	58%	0.575	66%	0.662	S	S	*	*	H	α-helix	trans	-74.1	-28.3	176.1	-95.7	-177.1	-18.9	0	0	113.1	I7 G8 V9 F13 R14 I15	I7-Q11 HydrophobicContact CG2-CB 4.24Å; G8-Q11 PolarHBondContact O-N 3.5Å; V9-Q11 VanDerWaalsContact C-N 3.31Å; V9-Q11 PolarHBondContact O-N 2.82Å; Q11-F13 VanDerWaalsContact C-N 3.34Å; Q11-R14 PolarHBondContact O-N 3.18Å; Q11-I15 PolarHBondContact O-N 3.16Å
12	V	51.7	Low	45.7	Very low	75 Å²	75	131.4 Å²	131.4	46%	0.455	64%	0.643	S	S	.	*	H	α-helix	trans	-68.8	-37.2	176.3	-174.2	0	0	0	0	110.4	V9 R14 I15 F16	V9-V12 PolarHBondContact O-N 3.23Å; V12-R14 PolarHBondContact O-N 3.31Å; V12-I15 PolarHBondContact O-N 2.9Å; V12-F16 HydrophobicContact CG1-CD2 4.2Å; V12-F16 HydrophobicContact CG1-CE2 4.4Å; V12-F16 PolarHBondContact O-N 3.31Å; V12-F16 VanDerWaalsContact O-N 3.16Å
13	F	47.4	Very low	45.9	Very low	147 Å²	147	131.5 Å²	131.5	65%	0.645	64%	0.64	S	S	*	*	H	α-helix	trans	-66.4	-33.3	175.2	-93.7	-82.5	0	0	0	113.3	V9 Q11 V17	V9-F13 PolarHBondContact O-N 3.42Å; Q11-F13 VanDerWaalsContact C-N 3.34Å; F13-V17 WeakPolarHBondContact O-CG2 3.04Å; F13-V17 PolarHBondContact O-N 3.35Å
14	R	48.4	Very low	46.5	Very low	174 Å²	174	131.8 Å²	131.8	66%	0.657	64%	0.642	S	S	*	*	H	α-helix	trans	-66.7	-40.8	174.1	-83.1	-170.2	169.8	-170.7	-2.4	111.9	I10 Q11 V12 F16 V17 Y18	I10-R14 PolarHBondContact O-N 3.46Å; Q11-R14 PolarHBondContact O-N 3.18Å; V12-R14 PolarHBondContact O-N 3.31Å; R14-F16 VanDerWaalsContact C-N 3.34Å; R14-F16 PolarHBondContact O-N 3.47Å; R14-V17 PolarHBondContact O-N 2.9Å; R14-Y18 WeakPolarHBondContact O-CD2 3.34Å; R14-Y18 PolarHBondContact O-N 3.29Å; R14-Y18 VanDerWaalsContact O-N 3.12Å
15	I	51	Low	46.6	Very low	103 Å²	103	130.2 Å²	130.2	53%	0.528	64%	0.639	S	S	.	*	H	α-helix	trans	-64.6	-39.5	178.9	-63.9	169.8	0	0	0	111.2	Q11 V12 V17 Y18 F19	Q11-I15 PolarHBondContact O-N 3.16Å; V12-I15 PolarHBondContact O-N 2.9Å; I15-V17 PolarHBondContact O-N 3.26Å; I15-Y18 PolarHBondContact O-N 3.45Å; I15-F19 HydrophobicContact CG2-CD2 4.1Å; I15-F19 HydrophobicContact CG2-CE2 4.31Å; I15-F19 PolarHBondContact O-N 3.1Å; I15-F19 VanDerWaalsContact O-N 3.1Å
16	F	46.5	Very low	46.6	Very low	133 Å²	133	125.4 Å²	125.4	58%	0.583	63%	0.628	S	S	*	*	H	α-helix	trans	-68.3	-30.9	177.1	-96.4	-86.3	0	0	0	114	V12 R14 N20	V12-F16 HydrophobicContact CG1-CD2 4.2Å; V12-F16 HydrophobicContact CG1-CE2 4.4Å; V12-F16 PolarHBondContact O-N 3.31Å; V12-F16 VanDerWaalsContact O-N 3.16Å; R14-F16 VanDerWaalsContact C-N 3.34Å; R14-F16 PolarHBondContact O-N 3.47Å; F16-N20 PolarHBondContact O-N 3.3Å; F16-N20 PolarHBondContact O-ND2 3.45Å
17	V	49.5	Very low	46.7	Very low	86 Å²	86	120.5 Å²	120.5	52%	0.521	62%	0.618	S	S	.	*	H	α-helix	trans	-71.8	-37.8	173.7	176.7	0	0	0	0	110.8	F13 R14 I15 F19 N20 V21	F13-V17 WeakPolarHBondContact O-CG2 3.04Å; F13-V17 PolarHBondContact O-N 3.35Å; R14-V17 PolarHBondContact O-N 2.9Å; I15-V17 PolarHBondContact O-N 3.26Å; V17-F19 VanDerWaalsContact C-N 3.35Å; V17-F19 PolarHBondContact O-N 3.3Å; V17-N20 PolarHBondContact O-N 3.02Å; V17-V21 HydrophobicContact CG1-CG2 4.17Å; V17-V21 VanDerWaalsContact O-CG2 3.23Å; V17-V21 WeakPolarHBondContact O-CG2 3.23Å; V17-V21 PolarHBondContact O-N 3.31Å
18	Y	47.2	Very low	46.7	Very low	157 Å²	157	123 Å²	123	62%	0.616	63%	0.627	S	S	*	*	H	α-helix	trans	-67	-33.2	175.5	-75.5	-71.1	0	0	0	113.3	R14 I15 L22	R14-Y18 WeakPolarHBondContact O-CD2 3.34Å; R14-Y18 PolarHBondContact O-N 3.29Å; R14-Y18 VanDerWaalsContact O-N 3.12Å; I15-Y18 PolarHBondContact O-N 3.45Å; Y18-L22 PolarHBondContact O-N 3.12Å
19	F	46.7	Very low	46.7	Very low	155 Å²	155	129.9 Å²	129.9	68%	0.68	65%	0.645	S	S	*	*	H	α-helix	trans	-71.2	-30.1	174.6	-95.2	-83.9	0	0	0	113.6	I15 V17	I15-F19 HydrophobicContact CG2-CD2 4.1Å; I15-F19 HydrophobicContact CG2-CE2 4.31Å; I15-F19 PolarHBondContact O-N 3.1Å; I15-F19 VanDerWaalsContact O-N 3.1Å; V17-F19 VanDerWaalsContact C-N 3.35Å; V17-F19 PolarHBondContact O-N 3.3Å
20	N	43.3	Very low	46.8	Very low	98 Å²	98	128 Å²	128	52%	0.524	64%	0.637	S	S	.	*	H	α-helix	trans	-83.3	-23.6	175.8	-77	-73.4	0	0	0	113.5	F16 V17	F16-N20 PolarHBondContact O-N 3.3Å; F16-N20 PolarHBondContact O-ND2 3.45Å; V17-N20 PolarHBondContact O-N 3.02Å
21	V	48.2	Very low	47.2	Very low	96 Å²	96	124.3 Å²	124.3	58%	0.582	62%	0.622	S	S	*	*	H	α-helix	trans	-80.4	-22.7	176.5	177.5	0	0	0	0	112	V17 Q23	V17-V21 HydrophobicContact CG1-CG2 4.17Å; V17-V21 VanDerWaalsContact O-CG2 3.23Å; V17-V21 WeakPolarHBondContact O-CG2 3.23Å; V17-V21 PolarHBondContact O-N 3.31Å; V21-Q23 VanDerWaalsContact C-N 3.35Å; V21-Q23 PolarHBondContact O-N 3.47Å
22	L	42.3	Very low	48.9	Very low	136 Å²	136	125.5 Å²	125.5	71%	0.712	63%	0.632	S	S	*	*	G	3₁₀ helix	trans	-77.4	-12.6	176.6	-113.9	90.3	0	0	0	114.9	Y18	Y18-L22 PolarHBondContact O-N 3.12Å
23	Q	42.2	Very low	51	Low	162 Å²	162	124.1 Å²	124.1	76%	0.757	62%	0.622	S	S	*	*	G	3₁₀ helix	trans	-92.4	0.1	178.6	-86.1	-166.1	-57	0	0	115.3	V21	V21-Q23 VanDerWaalsContact C-N 3.35Å; V21-Q23 PolarHBondContact O-N 3.47Å
24	F	45.7	Very low	53.4	Low	181 Å²	181	118.5 Å²	118.5	79%	0.794	60%	0.599	S	S	*	*	G	3₁₀ helix	trans	-107.8	17.6	172.4	-71.1	-76	0	0	0	114	S26	F24-S26 PolarHBondContact O-N 3.44Å
25	V	44.8	Very low	55.7	Low	115 Å²	115	115.6 Å²	115.6	70%	0.697	59%	0.592	S	S	*	*			trans	-72.1	79.1	146.7	-172.4	0	0	0	0	105.5	C27	V25-C27 PolarHBondContact O-N 2.87Å
26	S	43.7	Very low	58	Low	84 Å²	84	114.2 Å²	114.2	59%	0.587	58%	0.584	S	S	*	*			trans	-58.7	86.4	157.9	-179.6	0	0	0	0	105	F24 H28	F24-S26 PolarHBondContact O-N 3.44Å; S26-H28 PolarHBondContact O-N 2.71Å; S26-H28 PolarHBondContact O-ND1 2.61Å
27	C	45.7	Very low	60.4	Low	100 Å²	100	107.9 Å²	107.9	68%	0.676	56%	0.556	S	S	*	*			trans	-50.8	100.1	160.1	-170.6	0	0	0	0	103	V25 K29	V25-C27 PolarHBondContact O-N 2.87Å; C27-K29 PolarHBondContact O-N 2.65Å
28	H	45.5	Very low	62.8	Low	170 Å²	170	104 Å²	104	79%	0.787	53%	0.533	S	S	*	.			trans	-60.3	88.4	168.1	-85.2	60	0	0	0	103.3	S26 S30	S26-H28 PolarHBondContact O-N 2.71Å; S26-H28 PolarHBondContact O-ND1 2.61Å; H28-S30 PolarHBondContact O-N 2.77Å
29	K	43.2	Very low	65.2	Low	184 Å²	184	102.2 Å²	102.2	80%	0.8	53%	0.53	S	S	*	.			trans	-48.6	118.9	158.5	-75.8	-173.7	175.4	-174.6	0	102.6	C27 P31	C27-K29 PolarHBondContact O-N 2.65Å; K29-P31 VanDerWaalsContact O-N 3.16Å
30	S	52.7	Low	67.7	Low	70 Å²	70	95.6 Å²	95.6	49%	0.49	50%	0.501	S	S	.	.			trans	-45.1	131.6	164.4	59.3	0	0	0	0	105.7	H28 D32	H28-S30 PolarHBondContact O-N 2.77Å; S30-D32 PolarHBondContact O-N 3.29Å
31	P	59.1	Low	70.4	Confident	61 Å²	61	91 Å²	91	40%	0.396	48%	0.476	S	S	.	.	P	Polyproline II helix	trans	-47.2	128.3	180	18.2	-29.4	0	0	0	107.4	K29 I33	K29-P31 VanDerWaalsContact O-N 3.16Å; P31-I33 PolarHBondContact O-N 2.68Å
32	D	82.5	Confident	72.8	Confident	148 Å²	148	87.5 Å²	87.5	79%	0.791	46%	0.455	S	S	*	.	P	Polyproline II helix	trans	-51.9	138.9	-176.1	-147	-1.6	0	0	0	107.9	S30 N34	S30-D32 PolarHBondContact O-N 3.29Å; D32-N34 PolarHBondContact O-N 2.92Å
33	I	95.1	Very high	75.5	Confident	47 Å²	47	86.6 Å²	86.6	24%	0.241	45%	0.446	C	S	.	.	P	Polyproline II helix	trans	-57.4	132.2	-177.7	-70.9	174.8	0	0	0	107.7	P31 E35 S38 D268 N270	P31-I33 PolarHBondContact O-N 2.68Å; I33-E35 VanDerWaalsContact C-N 3.34Å; I33-E35 PolarHBondContact O-N 3.06Å; I33-S38 WeakPolarHBondContact CG2-OG 3.43Å; I33-D268 HydrophobicContact CG1-CB 4.4Å; I33-N270 HydrophobicContact CG2-CB 4.45Å
34	N	97.4	Very high	78.2	Confident	28 Å²	28	78.9 Å²	78.9	15%	0.15	41%	0.41	C	S	.	.			trans	-74.5	91.3	176.1	-170.8	-43.6	0	0	0	108.8	D32 E36 L37 S38 Y262 F267 D268 V269	D32-N34 PolarHBondContact O-N 2.92Å; N34-E36 PolarHBondContact O-N 2.9Å; N34-L37 HydrophobicContact CB-CB 4.24Å; N34-L37 PolarHBondContact O-N 3.12Å; N34-L37 WeakPolarHBondContact OD1-CB 3.5Å; N34-L37 PolarHBondContact OD1-N 3.26Å; N34-S38 VanDerWaalsContact O-CB 3.31Å; N34-S38 WeakPolarHBondContact O-CB 3.12Å; N34-S38 PolarHBondContact O-N 3.43Å; N34-S38 PolarHBondContact O-OG 2.84Å; N34-Y262 WeakPolarHBondContact ND2-CE2 3.42Å; N34-Y262 PolarHBondContact ND2-OH 2.9Å; N34-F267 HydrophobicContact CB-CD2 4.13Å; N34-D268 PolarHBondContact N-O 3.25Å; N34-V269 HydrophobicContact CB-CG1 4.18Å
35	E	97.8	Very high	80.7	Confident	113 Å²	113	73.5 Å²	73.5	53%	0.528	39%	0.385	S	S	.	.	H	α-helix	trans	-62	-40.8	-172.9	-65.3	-58.8	159.6	0	0	112.9	I33 L37 S38 E39	I33-E35 VanDerWaalsContact C-N 3.34Å; I33-E35 PolarHBondContact O-N 3.06Å; E35-L37 PolarHBondContact O-N 3.34Å; E35-S38 WeakPolarHBondContact O-CB 3.46Å; E35-S38 PolarHBondContact O-N 2.99Å; E35-E39 WeakPolarHBondContact O-CG 3.49Å; E35-E39 PolarHBondContact O-N 3.49Å
36	E	98.1	Very high	83.2	Confident	74 Å²	74	75.7 Å²	75.7	35%	0.346	39%	0.385	S	S	.	.	H	α-helix	trans	-63.8	-44.9	179	-178.3	178.6	-151.4	0	0	111.8	N34 S38 E39 F40 F142 K146	N34-E36 PolarHBondContact O-N 2.9Å; E36-S38 VanDerWaalsContact C-N 3.33Å; E36-E39 PolarHBondContact O-N 3.22Å; E36-F40 WeakPolarHBondContact O-CB 3.26Å; E36-F40 PolarHBondContact O-N 2.91Å; E36-F142 HydrophobicContact CG-CE2 4.39Å; E36-F142 HydrophobicContact CG-CZ 4.5Å; E36-K146 WeakPolarHBondContact OE1-CE 3.32Å; E36-K146 IonicContact OE1-NZ 2.65Å; E36-K146 PolarHBondContact OE1-NZ 3.16Å; E36-K146 WeakPolarHBondContact OE2-CE 3.41Å; E36-K146 IonicContact OE2-NZ 2.61Å; E36-K146 PolarHBondContact OE2-NZ 3.48Å
37	L	98.4	Very high	85.8	Confident	0 Å²	0	72.1 Å²	72.1	0%	0	36%	0.36	C	S	.	.	H	α-helix	trans	-70.1	-32.3	175.5	-72.8	-171.2	0	0	0	112.1	N34 E35 F40 Y41 F142 V257 L261 Y262 F267 V269	N34-L37 HydrophobicContact CB-CB 4.24Å; N34-L37 PolarHBondContact O-N 3.12Å; N34-L37 WeakPolarHBondContact OD1-CB 3.5Å; N34-L37 PolarHBondContact OD1-N 3.26Å; E35-L37 PolarHBondContact O-N 3.34Å; L37-F40 PolarHBondContact O-N 2.93Å; L37-Y41 HydrophobicContact CB-CD2 4.01Å; L37-Y41 HydrophobicContact CB-CE2 3.77Å; L37-Y41 HydrophobicContact CD1-CE2 4.04Å; L37-Y41 HydrophobicContact CD2-CE2 4.27Å; L37-Y41 HydrophobicContact CG-CE2 4.26Å; L37-Y41 VanDerWaalsContact O-CB 3.25Å; L37-Y41 WeakPolarHBondContact O-CB 3.4Å; L37-Y41 WeakPolarHBondContact O-CD2 3.45Å; L37-Y41 PolarHBondContact O-N 3.28Å; L37-F142 HydrophobicContact CD2-CE1 3.91Å; L37-F142 HydrophobicContact CD2-CZ 3.74Å; L37-V257 HydrophobicContact CD2-CG1 3.71Å; L37-L261 HydrophobicContact CD1-CD1 4.36Å; L37-L261 HydrophobicContact CD2-CD1 3.95Å; L37-L261 HydrophobicContact CG-CD1 4.47Å; L37-Y262 HydrophobicContact CD1-CD2 4.07Å; L37-Y262 HydrophobicContact CD1-CE2 3.67Å; L37-F267 HydrophobicContact CD1-CD2 4.3Å; L37-F267 HydrophobicContact CD1-CE2 3.42Å; L37-F267 VanDerWaalsContact CD1-CE2 3.42Å; L37-F267 HydrophobicContact CD1-CZ 3.67Å; L37-V269 HydrophobicContact CB-CG1 3.87Å
38	S	98.7	Very high	88.3	Confident	5 Å²	5	68 Å²	68	4%	0.035	33%	0.332	C	S	.	.	H	α-helix	trans	-60.4	-47.3	173.1	-60.6	0	0	0	0	111	I33 N34 E35 E36 T42 V269 N270	I33-S38 WeakPolarHBondContact CG2-OG 3.43Å; N34-S38 VanDerWaalsContact O-CB 3.31Å; N34-S38 WeakPolarHBondContact O-CB 3.12Å; N34-S38 PolarHBondContact O-N 3.43Å; N34-S38 PolarHBondContact O-OG 2.84Å; E35-S38 WeakPolarHBondContact O-CB 3.46Å; E35-S38 PolarHBondContact O-N 2.99Å; E36-S38 VanDerWaalsContact C-N 3.33Å; S38-T42 WeakPolarHBondContact O-CB 3.22Å; S38-T42 PolarHBondContact O-N 2.91Å; S38-T42 PolarHBondContact O-OG1 3.23Å; S38-V269 WeakPolarHBondContact OG-CA 3.48Å; S38-N270 WeakPolarHBondContact CA-O 3.34Å; S38-N270 VanDerWaalsContact CB-O 3.3Å; S38-N270 WeakPolarHBondContact CB-O 3.4Å; S38-N270 PolarHBondContact OG-N 2.96Å
39	E	98.6	Very high	90.8	Very high	119 Å²	119	66.8 Å²	66.8	56%	0.556	33%	0.326	S	S	*	.	H	α-helix	trans	-62.4	-46.9	174.7	-73.2	-177	-169.7	0	0	112.2	E35 E36 T42 K43	E35-E39 WeakPolarHBondContact O-CG 3.49Å; E35-E39 PolarHBondContact O-N 3.49Å; E36-E39 PolarHBondContact O-N 3.22Å; E39-T42 PolarHBondContact O-N 3.36Å; E39-K43 WeakPolarHBondContact O-CG 3.37Å; E39-K43 PolarHBondContact O-N 3.05Å; E39-K43 VanDerWaalsContact O-N 3.11Å
40	F	98.8	Very high	93.4	Very high	17 Å²	17	59.9 Å²	59.9	8%	0.075	30%	0.298	C	S	.	.	H	α-helix	trans	-66.1	-49	-177.7	178.7	-109.5	0	0	0	112.1	E36 L37 T42 K43 L44 M138 F142 V257	E36-F40 WeakPolarHBondContact O-CB 3.26Å; E36-F40 PolarHBondContact O-N 2.91Å; L37-F40 PolarHBondContact O-N 2.93Å; F40-T42 VanDerWaalsContact C-N 3.31Å; F40-T42 PolarHBondContact O-N 3.47Å; F40-K43 WeakPolarHBondContact O-CA 3.35Å; F40-K43 WeakPolarHBondContact O-CB 3.42Å; F40-K43 PolarHBondContact O-N 3Å; F40-L44 HydrophobicContact CD1-CD1 4.14Å; F40-L44 HydrophobicContact CD1-CG 4.44Å; F40-L44 HydrophobicContact CE1-CD1 3.4Å; F40-L44 HydrophobicContact CE1-CD2 4.34Å; F40-L44 HydrophobicContact CE1-CG 3.9Å; F40-L44 HydrophobicContact CE2-CD2 4.18Å; F40-L44 HydrophobicContact CE2-CG 4.32Å; F40-L44 HydrophobicContact CZ-CD1 3.69Å; F40-L44 HydrophobicContact CZ-CD2 3.78Å; F40-L44 HydrophobicContact CZ-CG 3.83Å; F40-L44 PolarHBondContact O-N 3.39Å; F40-M138 HydrophobicContact CE2-CB 4.37Å; F40-F142 HydrophobicContact CB-CD2 4.3Å; F40-F142 HydrophobicContact CB-CE2 4Å; F40-F142 HydrophobicContact CB-CZ 4.46Å; F40-F142 HydrophobicContact CD1-CD1 4.16Å; F40-F142 HydrophobicContact CD1-CD2 4.17Å; F40-F142 HydrophobicContact CD1-CE1 4.31Å; F40-F142 HydrophobicContact CD1-CE2 4.32Å; F40-F142 HydrophobicContact CD1-CG 4.08Å; F40-F142 HydrophobicContact CD1-CZ 4.39Å; F40-F142 HydrophobicContact CD2-CB 4.13Å; F40-F142 AromaticContact CD2-CD2 3.52Å; F40-F142 HydrophobicContact CD2-CD2 3.52Å; F40-F142 HydrophobicContact CD2-CE2 4.1Å; F40-F142 AromaticContact CD2-CG 3.9Å; F40-F142 HydrophobicContact CD2-CG 3.9Å; F40-F142 HydrophobicContact CE1-CB 4.17Å; F40-F142 HydrophobicContact CE1-CD1 4.06Å; F40-F142 HydrophobicContact CE1-CD2 4.46Å; F40-F142 AromaticContact CE1-CG 3.97Å; F40-F142 HydrophobicContact CE1-CG 3.97Å; F40-F142 HydrophobicContact CE2-CB 3.53Å; F40-F142 AromaticContact CE2-CD2 3.86Å; F40-F142 HydrophobicContact CE2-CD2 3.86Å; F40-F142 AromaticContact CE2-CG 3.78Å; F40-F142 HydrophobicContact CE2-CG 3.78Å; F40-F142 AromaticContact CG-CD2 3.7Å; F40-F142 HydrophobicContact CG-CD2 3.7Å; F40-F142 AromaticContact CG-CE2 3.85Å; F40-F142 HydrophobicContact CG-CE2 3.85Å; F40-F142 HydrophobicContact CG-CG 4.06Å; F40-F142 HydrophobicContact CG-CZ 4.33Å; F40-F142 HydrophobicContact CZ-CB 3.56Å; F40-F142 HydrophobicContact CZ-CD1 4.32Å; F40-F142 HydrophobicContact CZ-CD2 4.32Å; F40-F142 AromaticContact CZ-CG 3.82Å; F40-F142 HydrophobicContact CZ-CG 3.82Å; F40-V257 HydrophobicContact CE1-CG1 4.49Å; F40-V257 HydrophobicContact CE1-CG2 3.98Å
41	Y	98.8	Very high	95.6	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-66.6	-31.9	177.9	-64.3	-37.4	0	0	0	112.6	L37 K43 L44 Y45 V254 V257 A258 V269 I271 I278	L37-Y41 HydrophobicContact CB-CD2 4.01Å; L37-Y41 HydrophobicContact CB-CE2 3.77Å; L37-Y41 HydrophobicContact CD1-CE2 4.04Å; L37-Y41 HydrophobicContact CD2-CE2 4.27Å; L37-Y41 HydrophobicContact CG-CE2 4.26Å; L37-Y41 VanDerWaalsContact O-CB 3.25Å; L37-Y41 WeakPolarHBondContact O-CB 3.4Å; L37-Y41 WeakPolarHBondContact O-CD2 3.45Å; L37-Y41 PolarHBondContact O-N 3.28Å; Y41-K43 VanDerWaalsContact C-N 3.29Å; Y41-K43 PolarHBondContact O-N 2.87Å; Y41-L44 HydrophobicContact CD1-CD1 4.08Å; Y41-L44 PolarHBondContact O-N 3.27Å; Y41-Y45 WeakPolarHBondContact O-CB 3.31Å; Y41-Y45 PolarHBondContact O-N 3.03Å; Y41-V254 HydrophobicContact CD1-CB 4.49Å; Y41-V254 HydrophobicContact CD1-CG2 3.87Å; Y41-V254 HydrophobicContact CE1-CB 4.21Å; Y41-V254 HydrophobicContact CE1-CG1 4.21Å; Y41-V254 HydrophobicContact CE1-CG2 4.08Å; Y41-V254 HydrophobicContact CE2-CG1 4.43Å; Y41-V254 HydrophobicContact CG-CG2 4.41Å; Y41-V254 PolarHBondContact OH-O 3.35Å; Y41-V257 HydrophobicContact CE1-CB 4.05Å; Y41-V257 HydrophobicContact CE1-CG1 4.1Å; Y41-A258 PolarHBondContact OH-N 3.06Å; Y41-V269 HydrophobicContact CD2-CB 4.39Å; Y41-V269 HydrophobicContact CD2-CG1 4.07Å; Y41-V269 HydrophobicContact CD2-CG2 4.2Å; Y41-V269 HydrophobicContact CE2-CG1 4.19Å; Y41-I271 HydrophobicContact CD2-CD1 4.25Å; Y41-I271 HydrophobicContact CG-CD1 4.18Å; Y41-I278 HydrophobicContact CD2-CD1 3.99Å; Y41-I278 HydrophobicContact CE2-CD1 3.44Å; Y41-I278 VanDerWaalsContact CE2-CD1 3.44Å
42	T	98.8	Very high	97.4	Very high	24 Å²	24	55.2 Å²	55.2	15%	0.147	27%	0.268	C	S	.	.	H	α-helix	trans	-61.4	-38.2	169.5	-66.9	0	0	0	0	111.7	S38 E39 F40 K46 N270 I271 A272	S38-T42 WeakPolarHBondContact O-CB 3.22Å; S38-T42 PolarHBondContact O-N 2.91Å; S38-T42 PolarHBondContact O-OG1 3.23Å; E39-T42 PolarHBondContact O-N 3.36Å; F40-T42 VanDerWaalsContact C-N 3.31Å; F40-T42 PolarHBondContact O-N 3.47Å; T42-K46 HydrophobicContact CG2-CD 4.18Å; T42-K46 WeakPolarHBondContact O-CB 3.42Å; T42-K46 VanDerWaalsContact O-CG 3.3Å; T42-K46 WeakPolarHBondContact O-CG 3.25Å; T42-K46 PolarHBondContact O-N 2.68Å; T42-K46 VanDerWaalsContact O-N 3.09Å; T42-N270 PolarHBondContact OG1-O 3.24Å; T42-I271 WeakPolarHBondContact OG1-CA 3.24Å; T42-A272 HydrophobicContact CG2-CB 4.18Å; T42-A272 PolarHBondContact OG1-N 3.07Å
43	K	98.8	Very high	98.1	Very high	116 Å²	116	52.8 Å²	52.8	50%	0.504	25%	0.254	S	S	.	.	H	α-helix	trans	-67.5	-41.6	174.9	-68	167.6	-177.3	166.7	0	111.4	E39 F40 Y41 K46 A47 M138	E39-K43 WeakPolarHBondContact O-CG 3.37Å; E39-K43 PolarHBondContact O-N 3.05Å; E39-K43 VanDerWaalsContact O-N 3.11Å; F40-K43 WeakPolarHBondContact O-CA 3.35Å; F40-K43 WeakPolarHBondContact O-CB 3.42Å; F40-K43 PolarHBondContact O-N 3Å; Y41-K43 VanDerWaalsContact C-N 3.29Å; Y41-K43 PolarHBondContact O-N 2.87Å; K43-K46 PolarHBondContact O-N 2.82Å; K43-A47 VanDerWaalsContact O-CB 3.29Å; K43-A47 WeakPolarHBondContact O-CB 3.13Å; K43-A47 PolarHBondContact O-N 2.81Å; K43-A47 VanDerWaalsContact O-N 3.07Å; K43-M138 HydrophobicContact CB-CE 3.6Å
44	L	98.8	Very high	98.2	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-61.6	-48	174.7	-65.4	-173.4	0	0	0	111.5	F40 Y41 K46 A47 D48 I135 M138 F250 A253	F40-L44 HydrophobicContact CD1-CD1 4.14Å; F40-L44 HydrophobicContact CD1-CG 4.44Å; F40-L44 HydrophobicContact CE1-CD1 3.4Å; F40-L44 HydrophobicContact CE1-CD2 4.34Å; F40-L44 HydrophobicContact CE1-CG 3.9Å; F40-L44 HydrophobicContact CE2-CD2 4.18Å; F40-L44 HydrophobicContact CE2-CG 4.32Å; F40-L44 HydrophobicContact CZ-CD1 3.69Å; F40-L44 HydrophobicContact CZ-CD2 3.78Å; F40-L44 HydrophobicContact CZ-CG 3.83Å; F40-L44 PolarHBondContact O-N 3.39Å; Y41-L44 HydrophobicContact CD1-CD1 4.08Å; Y41-L44 PolarHBondContact O-N 3.27Å; L44-K46 VanDerWaalsContact C-N 3.3Å; L44-K46 PolarHBondContact O-N 3.37Å; L44-A47 CarbonylContact O-C 3.58Å; L44-A47 WeakPolarHBondContact O-CA 3.33Å; L44-A47 PolarHBondContact O-N 2.97Å; L44-D48 PolarHBondContact O-N 3.21Å; L44-I135 HydrophobicContact CB-CG2 4.49Å; L44-I135 HydrophobicContact CD1-CG2 4.34Å; L44-I135 HydrophobicContact CD2-CB 4.36Å; L44-I135 HydrophobicContact CD2-CG1 4.48Å; L44-I135 HydrophobicContact CD2-CG2 3.91Å; L44-I135 HydrophobicContact CG-CG2 4.47Å; L44-M138 HydrophobicContact CD2-CB 3.62Å; L44-M138 HydrophobicContact CD2-CE 3.9Å; L44-M138 HydrophobicContact CD2-CG 4.47Å; L44-M138 HydrophobicContact CD2-SD 4.11Å; L44-F250 HydrophobicContact CB-CD2 4.24Å; L44-F250 HydrophobicContact CB-CE2 4.17Å; L44-A253 HydrophobicContact CD1-CB 3.68Å
45	Y	98.4	Very high	98.2	Very high	69 Å²	69	55.7 Å²	55.7	27%	0.271	29%	0.29	S	S	.	.	H	α-helix	trans	-57.5	-42.2	178.6	178.5	-97	0	0	0	112.1	Y41 A47 D48 R223 F243 F250 I271 A272	Y41-Y45 WeakPolarHBondContact O-CB 3.31Å; Y41-Y45 PolarHBondContact O-N 3.03Å; Y45-A47 VanDerWaalsContact C-N 3.27Å; Y45-A47 PolarHBondContact O-N 3.46Å; Y45-D48 PolarHBondContact O-N 2.88Å; Y45-R223 VanDerWaalsContact CZ-NH1 3.25Å; Y45-R223 PolarHBondContact OH-NH1 3.28Å; Y45-F243 HydrophobicContact CE2-CE1 4.08Å; Y45-F243 HydrophobicContact CE2-CZ 4.09Å; Y45-F250 HydrophobicContact CD2-CE2 4.32Å; Y45-F250 HydrophobicContact CD2-CZ 4.3Å; Y45-I271 HydrophobicContact CD2-CG2 4.34Å; Y45-I271 HydrophobicContact CG-CG2 3.93Å; Y45-A272 HydrophobicContact CD1-CB 3.78Å; Y45-A272 HydrophobicContact CE1-CB 4.12Å
46	K	98.3	Very high	98.1	Very high	161 Å²	161	57.2 Å²	57.2	70%	0.7	30%	0.295	S	S	*	.	H	α-helix	trans	-72.1	-19.4	176	-70.8	175.5	179.6	-179.7	0	113.7	T42 K43 L44	T42-K46 HydrophobicContact CG2-CD 4.18Å; T42-K46 WeakPolarHBondContact O-CB 3.42Å; T42-K46 VanDerWaalsContact O-CG 3.3Å; T42-K46 WeakPolarHBondContact O-CG 3.25Å; T42-K46 PolarHBondContact O-N 2.68Å; T42-K46 VanDerWaalsContact O-N 3.09Å; K43-K46 PolarHBondContact O-N 2.82Å; L44-K46 VanDerWaalsContact C-N 3.3Å; L44-K46 PolarHBondContact O-N 3.37Å
47	A	98.5	Very high	98.1	Very high	8 Å²	8	54.1 Å²	54.1	7%	0.066	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.8	3.7	178.2	0	0	0	0	0	112.7	K43 L44 Y45 E49 K134 I135 M138	K43-A47 VanDerWaalsContact O-CB 3.29Å; K43-A47 WeakPolarHBondContact O-CB 3.13Å; K43-A47 PolarHBondContact O-N 2.81Å; K43-A47 VanDerWaalsContact O-N 3.07Å; L44-A47 CarbonylContact O-C 3.58Å; L44-A47 WeakPolarHBondContact O-CA 3.33Å; L44-A47 PolarHBondContact O-N 2.97Å; Y45-A47 VanDerWaalsContact C-N 3.27Å; Y45-A47 PolarHBondContact O-N 3.46Å; A47-E49 VanDerWaalsContact C-N 3.28Å; A47-E49 PolarHBondContact O-N 2.88Å; A47-K134 HydrophobicContact CB-CD 4.1Å; A47-K134 HydrophobicContact CB-CG 4.38Å; A47-I135 HydrophobicContact CB-CG1 4.35Å; A47-M138 HydrophobicContact CB-CE 4.39Å; A47-M138 HydrophobicContact CB-SD 3.75Å
48	D	98.4	Very high	98.1	Very high	15 Å²	15	54.3 Å²	54.3	8%	0.08	28%	0.282	C	S	.	.			trans	-76.1	79.3	177.9	-164.7	-0.7	0	0	0	111.2	L44 Y45 N50 A51 I135 S247 F250	L44-D48 PolarHBondContact O-N 3.21Å; Y45-D48 PolarHBondContact O-N 2.88Å; D48-N50 PolarHBondContact O-N 3.11Å; D48-N50 PolarHBondContact OD1-N 3.49Å; D48-A51 HydrophobicContact CB-CB 3.97Å; D48-A51 WeakPolarHBondContact O-CB 3.36Å; D48-A51 PolarHBondContact O-N 2.76Å; D48-A51 VanDerWaalsContact O-N 3.14Å; D48-A51 PolarHBondContact OD1-N 2.77Å; D48-A51 VanDerWaalsContact OD1-N 3.1Å; D48-I135 VanDerWaalsContact CA-CD1 3.5Å; D48-I135 HydrophobicContact CB-CD1 3.6Å; D48-S247 WeakPolarHBondContact OD1-CB 3.31Å; D48-S247 PolarHBondContact OD1-OG 3.39Å; D48-S247 PolarHBondContact OD2-N 3.32Å; D48-S247 VanDerWaalsContact OD2-N 3.16Å; D48-S247 PolarHBondContact OD2-OG 3.39Å; D48-F250 WeakPolarHBondContact OD2-CB 3.39Å
49	E	97.7	Very high	98.1	Very high	144 Å²	144	58.2 Å²	58.2	67%	0.673	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-21	178.9	-68.2	168.8	178	0	0	112.3	A47	A47-E49 VanDerWaalsContact C-N 3.28Å; A47-E49 PolarHBondContact O-N 2.88Å
50	N	98.1	Very high	98.1	Very high	39 Å²	39	53.8 Å²	53.8	21%	0.209	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.2	12.5	178.3	-68.9	-45.8	0	0	0	113.3	D48 R92 F95 E249	D48-N50 PolarHBondContact O-N 3.11Å; D48-N50 PolarHBondContact OD1-N 3.49Å; N50-R92 PolarHBondContact O-NH1 2.97Å; N50-F95 HydrophobicContact CB-CE2 4.02Å; N50-F95 VanDerWaalsContact O-CE2 3.25Å; N50-F95 WeakPolarHBondContact O-CE2 3.3Å; N50-F95 WeakPolarHBondContact O-CZ 3.02Å; N50-E249 WeakPolarHBondContact CB-OE1 3.38Å; N50-E249 PolarHBondContact ND2-OE1 3.17Å
51	A	97.7	Very high	98.1	Very high	25 Å²	25	55 Å²	55	21%	0.207	29%	0.286	C	S	.	.			trans	-59.8	150.6	168.2	0	0	0	0	0	110.7	D48 R92 G245	D48-A51 HydrophobicContact CB-CB 3.97Å; D48-A51 WeakPolarHBondContact O-CB 3.36Å; D48-A51 PolarHBondContact O-N 2.76Å; D48-A51 VanDerWaalsContact O-N 3.14Å; D48-A51 PolarHBondContact OD1-N 2.77Å; D48-A51 VanDerWaalsContact OD1-N 3.1Å; A51-R92 PolarHBondContact O-NH1 3.43Å; A51-G245 WeakPolarHBondContact CA-O 3.45Å
52	V	98.1	Very high	98	Very high	7 Å²	7	56.6 Å²	56.6	4%	0.042	29%	0.294	C	S	.	.			trans	-111.7	144.3	177.3	-58.1	0	0	0	0	109.8	D57 Y58 I88 F95 W198 G245	V52-D57 HydrophobicContact CB-CB 3.71Å; V52-D57 HydrophobicContact CG1-CB 4.34Å; V52-Y58 HydrophobicContact CB-CD1 4.39Å; V52-Y58 HydrophobicContact CG2-CD1 3.77Å; V52-Y58 HydrophobicContact CG2-CE1 4.04Å; V52-I88 HydrophobicContact CG1-CB 4.4Å; V52-I88 HydrophobicContact CG1-CD1 3.93Å; V52-I88 HydrophobicContact CG1-CG2 4.24Å; V52-F95 HydrophobicContact CG1-CE1 4.41Å; V52-F95 HydrophobicContact CG1-CZ 4.08Å; V52-W198 HydrophobicContact CG2-CH2 3.7Å; V52-W198 HydrophobicContact CG2-CZ2 3.55Å; V52-G245 VanDerWaalsContact CG2-CA 3.41Å; V52-G245 PolarHBondContact N-O 3.06Å
53	L	97.1	Very high	98	Very high	97 Å²	97	57.7 Å²	57.7	51%	0.508	30%	0.297	S	S	.	.			trans	-105.7	132	-168.3	-58.7	177.8	0	0	0	112.3	K56 D57 Y58	L53-K56 HydrophobicContact CB-CB 4.23Å; L53-K56 HydrophobicContact CD1-CD 4.32Å; L53-K56 PolarHBondContact O-N 3.09Å; L53-D57 PolarHBondContact N-OD2 2.86Å; L53-D57 PolarHBondContact O-N 3.19Å; L53-Y58 PolarHBondContact O-N 2.82Å
54	S	97.2	Very high	97.8	Very high	78 Å²	78	57.6 Å²	57.6	55%	0.545	30%	0.299	S	S	.	.	B	Isolated β-bridge	trans	-58.7	137	172.5	-172.7	0	0	0	0	111.3	K56 Y58	S54-K56 PolarHBondContact O-N 3.5Å; S54-Y58 CarbonylContact C-O 3.4Å; S54-Y58 VanDerWaalsContact N-CE1 3.29Å
55	G	96.2	Very high	97.7	Very high	59 Å²	59	62.6 Å²	62.6	61%	0.608	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.6	-9	-178	0	0	0	0	0	115.1	Y58 Y83	G55-Y58 PolarHBondContact N-O 3.12Å; G55-Y83 VanDerWaalsContact C-OH 3.29Å; G55-Y83 PolarHBondContact O-OH 3.36Å
56	K	97.4	Very high	97.4	Very high	144 Å²	144	59.8 Å²	59.8	63%	0.626	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.2	-62.4	174.1	-178.8	-172.4	175.5	-173.8	0	110.9	L53 S54 Y83	L53-K56 HydrophobicContact CB-CB 4.23Å; L53-K56 HydrophobicContact CD1-CD 4.32Å; L53-K56 PolarHBondContact O-N 3.09Å; S54-K56 PolarHBondContact O-N 3.5Å; K56-Y83 PolarHBondContact N-OH 2.84Å; K56-Y83 PolarHBondContact O-OH 2.8Å
57	D	98.2	Very high	96.9	Very high	10 Å²	10	56.1 Å²	56.1	5%	0.053	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-24.1	-174.4	-58.3	-50.1	0	0	0	112.2	V52 L53 V84 N85	V52-D57 HydrophobicContact CB-CB 3.71Å; V52-D57 HydrophobicContact CG1-CB 4.34Å; L53-D57 PolarHBondContact N-OD2 2.86Å; L53-D57 PolarHBondContact O-N 3.19Å; D57-V84 CarbonylContact O-C 3.4Å; D57-V84 WeakPolarHBondContact O-CA 3.39Å; D57-N85 WeakPolarHBondContact O-CB 3.3Å; D57-N85 PolarHBondContact O-N 3.43Å
58	Y	98.4	Very high	95.9	Very high	3 Å²	3	63 Å²	63	1%	0.012	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	161.8	173.2	72.6	-85.4	0	0	0	111.7	V52 L53 S54 G55 L60 Y83 V244	V52-Y58 HydrophobicContact CB-CD1 4.39Å; V52-Y58 HydrophobicContact CG2-CD1 3.77Å; V52-Y58 HydrophobicContact CG2-CE1 4.04Å; L53-Y58 PolarHBondContact O-N 2.82Å; S54-Y58 CarbonylContact C-O 3.4Å; S54-Y58 VanDerWaalsContact N-CE1 3.29Å; G55-Y58 PolarHBondContact N-O 3.12Å; Y58-L60 HydrophobicContact CD2-CD2 4.12Å; Y58-L60 HydrophobicContact CD2-CG 4.02Å; Y58-L60 HydrophobicContact CE2-CD1 4.1Å; Y58-L60 HydrophobicContact CE2-CD2 4.24Å; Y58-L60 HydrophobicContact CE2-CG 3.83Å; Y58-Y83 CarbonylContact C-O 3.57Å; Y58-Y83 VanDerWaalsContact CA-O 3.27Å; Y58-Y83 WeakPolarHBondContact CA-O 3.4Å; Y58-V244 HydrophobicContact CD2-CG1 3.95Å; Y58-V244 HydrophobicContact CE1-CG1 4.26Å; Y58-V244 HydrophobicContact CE2-CB 4.47Å; Y58-V244 HydrophobicContact CE2-CG1 3.42Å; Y58-V244 VanDerWaalsContact CE2-CG1 3.42Å
59	K	98.4	Very high	94.8	Very high	87 Å²	87	65.4 Å²	65.4	38%	0.378	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	135.7	168.6	-178.7	-178.5	176.6	-154.4	0	110.5	E82 Y83	K59-E82 HydrophobicContact CB-CB 4.45Å; K59-E82 WeakPolarHBondContact CD-OE2 3.4Å; K59-E82 WeakPolarHBondContact CE-OE2 3.21Å; K59-E82 HydrophobicContact CG-CB 4.38Å; K59-E82 IonicContact NZ-OE1 3.62Å; K59-E82 PolarHBondContact NZ-OE1 3.2Å; K59-E82 IonicContact NZ-OE2 2.63Å; K59-E82 PolarHBondContact NZ-OE2 3.41Å; K59-E82 PolarHBondContact O-N 2.9Å; K59-Y83 HydrophobicContact CB-CD1 3.37Å; K59-Y83 HydrophobicContact CB-CE1 3.21Å; K59-Y83 HydrophobicContact CB-CG 4.41Å; K59-Y83 HydrophobicContact CD-CD1 4.34Å; K59-Y83 HydrophobicContact CD-CE1 4.22Å; K59-Y83 HydrophobicContact CG-CD1 4.49Å; K59-Y83 HydrophobicContact CG-CE1 4.35Å; K59-Y83 PolarHBondContact N-O 3.05Å; K59-Y83 PolarHBondContact O-N 2.79Å
60	L	98.5	Very high	93.5	Very high	27 Å²	27	69 Å²	69	14%	0.141	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	146.2	177.1	-58.6	176.1	0	0	0	110.9	Y58 L62 L80 F81 D222 L225 V244	Y58-L60 HydrophobicContact CD2-CD2 4.12Å; Y58-L60 HydrophobicContact CD2-CG 4.02Å; Y58-L60 HydrophobicContact CE2-CD1 4.1Å; Y58-L60 HydrophobicContact CE2-CD2 4.24Å; Y58-L60 HydrophobicContact CE2-CG 3.83Å; L60-L62 HydrophobicContact CB-CD2 4.35Å; L60-L62 HydrophobicContact CD1-CD2 4.26Å; L60-L80 CarbonylContact C-O 3.59Å; L60-L80 WeakPolarHBondContact CA-O 3.34Å; L60-L80 HydrophobicContact CD2-CG 4.21Å; L60-F81 HydrophobicContact CD2-CD1 3.68Å; L60-F81 HydrophobicContact CD2-CE1 3.58Å; L60-F81 HydrophobicContact CD2-CG 4.26Å; L60-F81 HydrophobicContact CD2-CZ 4.08Å; L60-D222 HydrophobicContact CD1-CB 4.29Å; L60-D222 WeakPolarHBondContact CD1-O 3.04Å; L60-L225 HydrophobicContact CD1-CD1 4.09Å; L60-V244 HydrophobicContact CD1-CG2 4.43Å; L60-V244 HydrophobicContact CD2-CG1 4.36Å
61	N	98.1	Very high	92.7	Very high	43 Å²	43	74.7 Å²	74.7	23%	0.23	38%	0.376	C	S	.	.			trans	-116.3	80.4	167.6	172.2	40.6	0	0	0	107.7	Q63 K78 P79 L80 E82	N61-Q63 WeakPolarHBondContact ND2-CG 3.49Å; N61-Q63 PolarHBondContact ND2-NE2 3.43Å; N61-Q63 PolarHBondContact O-N 3.24Å; N61-Q63 PolarHBondContact O-NE2 3.42Å; N61-Q63 WeakPolarHBondContact OD1-CG 3.36Å; N61-K78 WeakPolarHBondContact ND2-CB 3.45Å; N61-P79 PolarHBondContact ND2-O 3.47Å; N61-P79 VanDerWaalsContact ND2-O 3.14Å; N61-L80 PolarHBondContact N-O 3.44Å; N61-E82 HydrophobicContact CB-CB 4.19Å
62	L	97.8	Very high	92.1	Very high	32 Å²	32	76.3 Å²	76.3	17%	0.168	38%	0.38	C	S	.	.			trans	-60.8	-31.7	-172.9	-70.9	-175.7	0	0	0	113.8	L60 E64 L80 Y212 D222 L225	L60-L62 HydrophobicContact CB-CD2 4.35Å; L60-L62 HydrophobicContact CD1-CD2 4.26Å; L62-E64 PolarHBondContact O-N 3.15Å; L62-L80 HydrophobicContact CD2-CD1 3.94Å; L62-Y212 WeakPolarHBondContact O-CE1 3.4Å; L62-Y212 PolarHBondContact O-OH 3.1Å; L62-D222 HydrophobicContact CD1-CB 4.13Å; L62-L225 HydrophobicContact CD2-CD1 4.27Å; L62-L225 HydrophobicContact CD2-CD2 4.1Å
63	Q	97	Very high	91.8	Very high	48 Å²	48	79 Å²	79	22%	0.224	40%	0.397	C	S	.	.			trans	55.8	-128.6	-177.2	-60.7	164	89.4	0	0	111.5	N61 S76 K78 P79	N61-Q63 WeakPolarHBondContact ND2-CG 3.49Å; N61-Q63 PolarHBondContact ND2-NE2 3.43Å; N61-Q63 PolarHBondContact O-N 3.24Å; N61-Q63 PolarHBondContact O-NE2 3.42Å; N61-Q63 WeakPolarHBondContact OD1-CG 3.36Å; Q63-S76 WeakPolarHBondContact CB-OG 3.45Å; Q63-S76 PolarHBondContact OE1-O 3.41Å; Q63-K78 PolarHBondContact NE2-O 2.95Å; Q63-K78 PolarHBondContact OE1-O 3Å; Q63-P79 PolarHBondContact NE2-O 2.97Å
64	E	96.3	Very high	91.6	Very high	114 Å²	114	77.1 Å²	77.1	53%	0.533	39%	0.387	S	S	.	.			trans	-99	144.8	-163.6	-66.9	-60.6	154.2	0	0	113.2	L62 L75 G214 W215	L62-E64 PolarHBondContact O-N 3.15Å; E64-L75 HydrophobicContact CB-CB 3.62Å; E64-L75 WeakPolarHBondContact CB-O 3.44Å; E64-L75 HydrophobicContact CG-CB 4.27Å; E64-L75 VanDerWaalsContact CG-O 3.26Å; E64-L75 WeakPolarHBondContact CG-O 3.3Å; E64-G214 WeakPolarHBondContact O-CA 3.35Å; E64-W215 VanDerWaalsContact O-CD1 3.25Å; E64-W215 PolarHBondContact O-N 2.9Å
65	Y	95.9	Very high	91.5	Very high	104 Å²	104	77.1 Å²	77.1	41%	0.408	38%	0.381	S	S	.	.	B	Isolated β-bridge	trans	-71.1	127.7	170.3	172.5	-105.6	0	0	0	110.3	N67 W215 K216	Y65-N67 HydrophobicContact CE1-CB 3.92Å; Y65-W215 WeakPolarHBondContact CA-O 3.3Å; Y65-W215 HydrophobicContact CD2-CD2 4.08Å; Y65-W215 AromaticContact CD2-CE3 3.75Å; Y65-W215 HydrophobicContact CD2-CE3 3.75Å; Y65-W215 AromaticContact CD2-CH2 3.63Å; Y65-W215 HydrophobicContact CD2-CH2 3.63Å; Y65-W215 AromaticContact CD2-CZ2 3.96Å; Y65-W215 HydrophobicContact CD2-CZ2 3.96Å; Y65-W215 AromaticContact CD2-CZ3 3.52Å; Y65-W215 HydrophobicContact CD2-CZ3 3.52Å; Y65-W215 WeakPolarHBondContact CD2-O 3.36Å; Y65-W215 HydrophobicContact CE2-CE3 4.41Å; Y65-W215 HydrophobicContact CE2-CH2 4.46Å; Y65-W215 HydrophobicContact CE2-CZ3 4.08Å; Y65-W215 HydrophobicContact CG-CH2 4.25Å; Y65-W215 HydrophobicContact CG-CZ2 4.25Å; Y65-K216 WeakPolarHBondContact CE2-O 3.48Å
66	L	92.1	Very high	91.5	Very high	10 Å²	10	74.3 Å²	74.3	5%	0.052	35%	0.352	C	S	.	.			trans	-103.3	111.7	176.8	-165.3	135.8	0	0	0	109.9	V73 L75 W215 K216	L66-V73 WeakPolarHBondContact CD1-O 3.19Å; L66-L75 HydrophobicContact CD1-CD1 4.49Å; L66-W215 PolarHBondContact N-O 3.16Å; L66-K216 VanDerWaalsContact CD2-CE 3.48Å; L66-K216 HydrophobicContact CD2-CG 4.42Å; L66-K216 WeakPolarHBondContact O-CG 3.26Å
67	N	87.1	Confident	91.4	Very high	84 Å²	84	72.5 Å²	72.5	45%	0.449	36%	0.357	S	S	.	.			trans	-69.4	165.1	177.3	69.4	15.4	0	0	0	111.8	Y65 S69	Y65-N67 HydrophobicContact CE1-CB 3.92Å; N67-S69 PolarHBondContact O-N 2.9Å; N67-S69 WeakPolarHBondContact OD1-CB 3.21Å; N67-S69 PolarHBondContact OD1-N 3.49Å; N67-S69 VanDerWaalsContact OD1-N 3.14Å; N67-S69 PolarHBondContact OD1-OG 3.48Å
68	Y	78.1	Confident	91.4	Very high	152 Å²	152	78.1 Å²	78.1	60%	0.596	38%	0.381	S	S	*	.	S	Bend	trans	-75.2	42.1	175.2	-65.3	-89.3	0	0	0	113	K216 I239	Y68-K216 HydrophobicContact CD1-CD 4.41Å; Y68-K216 HydrophobicContact CE1-CD 3.99Å; Y68-I239 HydrophobicContact CE1-CD1 4.09Å
69	S	76.1	Confident	91.4	Very high	66 Å²	66	81.2 Å²	81.2	46%	0.462	40%	0.402	S	S	.	.			trans	-76	158.6	174.3	66.9	0	0	0	0	111.8	N67 K71	N67-S69 PolarHBondContact O-N 2.9Å; N67-S69 WeakPolarHBondContact OD1-CB 3.21Å; N67-S69 PolarHBondContact OD1-N 3.49Å; N67-S69 VanDerWaalsContact OD1-N 3.14Å; N67-S69 PolarHBondContact OD1-OG 3.48Å; S69-K71 VanDerWaalsContact C-N 3.35Å; S69-K71 PolarHBondContact OG-O 3.18Å
70	K	69.6	Low	91.4	Very high	220 Å²	220	77.1 Å²	77.1	96%	0.957	38%	0.384	S	S	*	.	S	Bend	trans	-75	-21.6	-179.3	-70.8	-173.2	178.2	-178	0	113.9
71	K	81.5	Confident	91.4	Very high	159 Å²	159	76.3 Å²	76.3	69%	0.691	38%	0.379	S	S	*	.	S	Bend	trans	-95.9	114.8	-178.3	-173.3	-178.5	178.7	-176.3	0	108.1	S69 V73	S69-K71 VanDerWaalsContact C-N 3.35Å; S69-K71 PolarHBondContact OG-O 3.18Å; K71-V73 HydrophobicContact CD-CG2 4.03Å; K71-V73 HydrophobicContact CG-CG2 3.97Å; K71-V73 PolarHBondContact O-N 3.27Å
72	L	85.5	Confident	91.4	Very high	58 Å²	58	79.4 Å²	79.4	30%	0.304	39%	0.392	S	S	.	.			trans	-65.5	116.9	169.7	-174.8	67.1	0	0	0	108.7	Y213 T228 I230 E236	L72-Y213 HydrophobicContact CD1-CD1 3.52Å; L72-Y213 HydrophobicContact CD1-CE1 4.03Å; L72-Y213 HydrophobicContact CD1-CG 4.33Å; L72-Y213 HydrophobicContact CD2-CD1 4.04Å; L72-Y213 HydrophobicContact CD2-CE1 3.69Å; L72-Y213 HydrophobicContact CG-CD1 3.58Å; L72-Y213 HydrophobicContact CG-CE1 3.54Å; L72-T228 HydrophobicContact CD1-CG2 3.38Å; L72-I230 HydrophobicContact CD2-CG2 4.11Å; L72-E236 HydrophobicContact CD2-CG 3.97Å
73	V	90.5	Very high	91.3	Very high	63 Å²	63	81.7 Å²	81.7	38%	0.382	40%	0.399	S	S	.	.			trans	-126.3	129.2	175.1	-179.5	0	0	0	0	106.8	L66 K71 L75	L66-V73 WeakPolarHBondContact CD1-O 3.19Å; K71-V73 HydrophobicContact CD-CG2 4.03Å; K71-V73 HydrophobicContact CG-CG2 3.97Å; K71-V73 PolarHBondContact O-N 3.27Å; V73-L75 HydrophobicContact CB-CD2 4.41Å; V73-L75 HydrophobicContact CG1-CD2 3.81Å; V73-L75 HydrophobicContact CG1-CG 4.46Å; V73-L75 PolarHBondContact O-N 3Å
74	D	94.3	Very high	91.4	Very high	59 Å²	59	79.9 Å²	79.9	32%	0.316	39%	0.392	S	S	.	.			trans	-71.6	109	171.5	-169.7	-15.7	0	0	0	108.5	S76 N211 Y213	D74-S76 VanDerWaalsContact OD1-C 3.27Å; D74-S76 PolarHBondContact OD1-N 3.18Å; D74-N211 PolarHBondContact OD2-ND2 3.03Å; D74-Y213 VanDerWaalsContact CA-CD1 3.45Å; D74-Y213 HydrophobicContact CB-CD1 3.8Å; D74-Y213 HydrophobicContact CB-CD2 4.29Å; D74-Y213 HydrophobicContact CB-CE1 3.7Å; D74-Y213 HydrophobicContact CB-CE2 4.21Å; D74-Y213 HydrophobicContact CB-CG 4.09Å
75	L	94.9	Very high	91.5	Very high	77 Å²	77	77.3 Å²	77.3	40%	0.403	38%	0.381	S	S	.	.			trans	-101	-1.1	175.4	-58.9	179	0	0	0	111.6	E64 L66 V73 Y213	E64-L75 HydrophobicContact CB-CB 3.62Å; E64-L75 WeakPolarHBondContact CB-O 3.44Å; E64-L75 HydrophobicContact CG-CB 4.27Å; E64-L75 VanDerWaalsContact CG-O 3.26Å; E64-L75 WeakPolarHBondContact CG-O 3.3Å; L66-L75 HydrophobicContact CD1-CD1 4.49Å; V73-L75 HydrophobicContact CB-CD2 4.41Å; V73-L75 HydrophobicContact CG1-CD2 3.81Å; V73-L75 HydrophobicContact CG1-CG 4.46Å; V73-L75 PolarHBondContact O-N 3Å; L75-Y213 PolarHBondContact N-O 3.09Å
76	S	96.4	Very high	91.4	Very high	0 Å²	0	75.2 Å²	75.2	0%	0	38%	0.377	C	S	.	.			trans	-133.2	69.5	-169.3	-60.7	0	0	0	0	110.9	Q63 D74 K78 Y213 G214	Q63-S76 WeakPolarHBondContact CB-OG 3.45Å; Q63-S76 PolarHBondContact OE1-O 3.41Å; D74-S76 VanDerWaalsContact OD1-C 3.27Å; D74-S76 PolarHBondContact OD1-N 3.18Å; S76-K78 PolarHBondContact O-N 2.92Å; S76-Y213 WeakPolarHBondContact CB-O 3.24Å; S76-Y213 PolarHBondContact N-O 3.13Å; S76-Y213 PolarHBondContact OG-O 2.73Å; S76-G214 VanDerWaalsContact OG-CA 3.31Å; S76-G214 WeakPolarHBondContact OG-CA 3.33Å; S76-G214 PolarHBondContact OG-N 3.11Å
77	S	95.2	Very high	91.7	Very high	106 Å²	106	78 Å²	78	74%	0.741	39%	0.392	S	S	*	.			trans	-59.4	-5.7	-177.1	61.7	0	0	0	0	117.2
78	K	97.8	Very high	92.1	Very high	129 Å²	129	74.2 Å²	74.2	56%	0.561	37%	0.372	S	S	*	.	S	Bend	trans	-115.2	161.1	179.1	-62.5	179.5	-178.1	178.1	0	110.7	N61 Q63 S76	N61-K78 WeakPolarHBondContact ND2-CB 3.45Å; Q63-K78 PolarHBondContact NE2-O 2.95Å; Q63-K78 PolarHBondContact OE1-O 3Å; S76-K78 PolarHBondContact O-N 2.92Å
79	P	98.1	Very high	93.1	Very high	68 Å²	68	67.8 Å²	67.8	44%	0.442	35%	0.347	S	S	.	.			trans	-52.9	144.6	168.4	-29.7	38.3	0	0	0	113.1	N61 Q63 E205	N61-P79 PolarHBondContact ND2-O 3.47Å; N61-P79 VanDerWaalsContact ND2-O 3.14Å; Q63-P79 PolarHBondContact NE2-O 2.97Å; P79-E205 VanDerWaalsContact CA-OE1 3.3Å; P79-E205 WeakPolarHBondContact CA-OE1 3.37Å; P79-E205 VanDerWaalsContact CB-CD 3.49Å; P79-E205 HydrophobicContact CB-CG 3.86Å; P79-E205 HydrophobicContact CG-CG 4.45Å
80	L	98.6	Very high	94	Very high	0 Å²	0	72.8 Å²	72.8	0%	0	36%	0.356	C	S	.	.	S	Bend	trans	-63.1	-43.4	168.6	173.6	67.1	0	0	0	110.8	L60 N61 L62 F201 E205 Y212 L225 L227 F242	L60-L80 CarbonylContact C-O 3.59Å; L60-L80 WeakPolarHBondContact CA-O 3.34Å; L60-L80 HydrophobicContact CD2-CG 4.21Å; N61-L80 PolarHBondContact N-O 3.44Å; L62-L80 HydrophobicContact CD2-CD1 3.94Å; L80-F201 HydrophobicContact CB-CE1 4.1Å; L80-F201 HydrophobicContact CD2-CD1 4.28Å; L80-F201 HydrophobicContact CD2-CE1 3.8Å; L80-F201 HydrophobicContact CD2-CZ 4.37Å; L80-E205 VanDerWaalsContact N-CD 3.29Å; L80-E205 PolarHBondContact N-OE1 3.33Å; L80-E205 PolarHBondContact N-OE2 3.34Å; L80-Y212 HydrophobicContact CB-CD1 3.78Å; L80-Y212 HydrophobicContact CB-CE1 4.19Å; L80-Y212 HydrophobicContact CB-CG 3.96Å; L80-Y212 HydrophobicContact CD1-CD1 4.45Å; L80-Y212 HydrophobicContact CD1-CE1 4.01Å; L80-L225 HydrophobicContact CD1-CD1 4.43Å; L80-L225 HydrophobicContact CD2-CD1 4.26Å; L80-L227 HydrophobicContact CD2-CD1 3.46Å; L80-L227 VanDerWaalsContact CD2-CD1 3.46Å; L80-F242 HydrophobicContact CD2-CE2 4.32Å; L80-F242 HydrophobicContact CD2-CZ 3.92Å
81	F	98.5	Very high	95.3	Very high	10 Å²	10	68 Å²	68	4%	0.044	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	110.6	177.8	-71.8	-87.9	0	0	0	109.8	L60 V84 W198 F201 Y202 E205 V244	L60-F81 HydrophobicContact CD2-CD1 3.68Å; L60-F81 HydrophobicContact CD2-CE1 3.58Å; L60-F81 HydrophobicContact CD2-CG 4.26Å; L60-F81 HydrophobicContact CD2-CZ 4.08Å; F81-V84 HydrophobicContact CB-CG2 4.38Å; F81-V84 HydrophobicContact CD1-CG2 3.56Å; F81-V84 HydrophobicContact CE1-CG2 4.21Å; F81-V84 HydrophobicContact CG-CG2 4.23Å; F81-W198 AromaticContact CE1-CE3 3.89Å; F81-W198 HydrophobicContact CE1-CE3 3.89Å; F81-W198 HydrophobicContact CE1-CZ3 4.43Å; F81-W198 HydrophobicContact CZ-CB 4.15Å; F81-W198 AromaticContact CZ-CE3 3.96Å; F81-W198 HydrophobicContact CZ-CE3 3.96Å; F81-F201 HydrophobicContact CD2-CD1 4.09Å; F81-F201 AromaticContact CE2-CD1 3.72Å; F81-F201 HydrophobicContact CE2-CD1 3.72Å; F81-F201 HydrophobicContact CE2-CE1 4.39Å; F81-Y202 HydrophobicContact CB-CD2 3.54Å; F81-Y202 HydrophobicContact CB-CE2 4.08Å; F81-Y202 HydrophobicContact CD1-CD2 4.17Å; F81-Y202 HydrophobicContact CD2-CD2 4.11Å; F81-Y202 AromaticContact CG-CD2 3.68Å; F81-Y202 HydrophobicContact CG-CD2 3.68Å; F81-Y202 HydrophobicContact CG-CG 4.35Å; F81-E205 WeakPolarHBondContact CD2-OE2 3.41Å; F81-E205 PolarHBondContact N-OE2 3.02Å; F81-V244 HydrophobicContact CE1-CG1 4Å; F81-V244 HydrophobicContact CZ-CG1 4.25Å
82	E	97.8	Very high	96.1	Very high	109 Å²	109	62.4 Å²	62.4	51%	0.509	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	-42.4	173.5	-170.8	-178.7	141.8	0	0	110.5	K59 N61	K59-E82 HydrophobicContact CB-CB 4.45Å; K59-E82 WeakPolarHBondContact CD-OE2 3.4Å; K59-E82 WeakPolarHBondContact CE-OE2 3.21Å; K59-E82 HydrophobicContact CG-CB 4.38Å; K59-E82 IonicContact NZ-OE1 3.62Å; K59-E82 PolarHBondContact NZ-OE1 3.2Å; K59-E82 IonicContact NZ-OE2 2.63Å; K59-E82 PolarHBondContact NZ-OE2 3.41Å; K59-E82 PolarHBondContact O-N 2.9Å; N61-E82 HydrophobicContact CB-CB 4.19Å
83	Y	97.3	Very high	96.7	Very high	80 Å²	80	62.8 Å²	62.8	31%	0.314	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	155.8	168.4	85.9	-95.9	0	0	0	111.4	G55 K56 Y58 K59	G55-Y83 VanDerWaalsContact C-OH 3.29Å; G55-Y83 PolarHBondContact O-OH 3.36Å; K56-Y83 PolarHBondContact N-OH 2.84Å; K56-Y83 PolarHBondContact O-OH 2.8Å; Y58-Y83 CarbonylContact C-O 3.57Å; Y58-Y83 VanDerWaalsContact CA-O 3.27Å; Y58-Y83 WeakPolarHBondContact CA-O 3.4Å; K59-Y83 HydrophobicContact CB-CD1 3.37Å; K59-Y83 HydrophobicContact CB-CE1 3.21Å; K59-Y83 HydrophobicContact CB-CG 4.41Å; K59-Y83 HydrophobicContact CD-CD1 4.34Å; K59-Y83 HydrophobicContact CD-CE1 4.22Å; K59-Y83 HydrophobicContact CG-CD1 4.49Å; K59-Y83 HydrophobicContact CG-CE1 4.35Å; K59-Y83 PolarHBondContact N-O 3.05Å; K59-Y83 PolarHBondContact O-N 2.79Å
84	V	98.2	Very high	97.1	Very high	10 Å²	10	59.9 Å²	59.9	6%	0.061	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	137.6	162.1	-178.4	0	0	0	0	107.3	D57 F81 D86 I88 F89 W198 Y202	D57-V84 CarbonylContact O-C 3.4Å; D57-V84 WeakPolarHBondContact O-CA 3.39Å; F81-V84 HydrophobicContact CB-CG2 4.38Å; F81-V84 HydrophobicContact CD1-CG2 3.56Å; F81-V84 HydrophobicContact CE1-CG2 4.21Å; F81-V84 HydrophobicContact CG-CG2 4.23Å; V84-D86 PolarHBondContact O-N 3.17Å; V84-D86 VanDerWaalsContact O-N 3.12Å; V84-I88 HydrophobicContact CG1-CD1 3.44Å; V84-I88 VanDerWaalsContact CG1-CD1 3.44Å; V84-F89 HydrophobicContact CG1-CE2 3.94Å; V84-F89 HydrophobicContact CG1-CZ 3.61Å; V84-W198 HydrophobicContact CG1-CH2 4.49Å; V84-W198 HydrophobicContact CG1-CZ3 4.2Å; V84-W198 HydrophobicContact CG2-CZ3 4.38Å; V84-Y202 HydrophobicContact CB-CD1 4.32Å; V84-Y202 HydrophobicContact CB-CD2 4.17Å; V84-Y202 HydrophobicContact CB-CE1 3.97Å; V84-Y202 HydrophobicContact CB-CE2 3.77Å; V84-Y202 HydrophobicContact CB-CG 4.41Å; V84-Y202 HydrophobicContact CG2-CD1 4.17Å; V84-Y202 HydrophobicContact CG2-CD2 3.45Å; V84-Y202 VanDerWaalsContact CG2-CD2 3.45Å; V84-Y202 HydrophobicContact CG2-CE1 4.24Å; V84-Y202 HydrophobicContact CG2-CE2 3.49Å; V84-Y202 VanDerWaalsContact CG2-CE2 3.49Å; V84-Y202 HydrophobicContact CG2-CG 3.78Å
85	N	97.8	Very high	97.3	Very high	60 Å²	60	57.1 Å²	57.1	32%	0.321	29%	0.289	S	S	.	.			trans	-73.2	99	176.1	178.4	9.2	0	0	0	109.8	D57 D87 I88	D57-N85 WeakPolarHBondContact O-CB 3.3Å; D57-N85 PolarHBondContact O-N 3.43Å; N85-D87 PolarHBondContact O-N 3.01Å; N85-D87 WeakPolarHBondContact OD1-CB 3.31Å; N85-D87 PolarHBondContact OD1-N 3.33Å; N85-I88 HydrophobicContact CB-CG2 4.4Å; N85-I88 VanDerWaalsContact O-CD1 3.28Å; N85-I88 WeakPolarHBondContact O-CD1 3.41Å; N85-I88 WeakPolarHBondContact O-CG1 3.27Å; N85-I88 WeakPolarHBondContact O-CG2 3.4Å; N85-I88 PolarHBondContact O-N 2.91Å
86	D	94.6	Very high	97.4	Very high	60 Å²	60	55.9 Å²	55.9	32%	0.321	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-18.8	-177.7	-73	-21.4	0	0	0	114.4	V84 I88 F89 Y202 K206	V84-D86 PolarHBondContact O-N 3.17Å; V84-D86 VanDerWaalsContact O-N 3.12Å; D86-I88 PolarHBondContact O-N 2.75Å; D86-F89 HydrophobicContact CB-CD2 4.32Å; D86-F89 WeakPolarHBondContact O-CB 3.45Å; D86-F89 PolarHBondContact O-N 2.84Å; D86-F89 VanDerWaalsContact O-N 3.08Å; D86-Y202 PolarHBondContact OD1-OH 2.84Å; D86-K206 IonicContact OD1-NZ 2.75Å; D86-K206 PolarHBondContact OD1-NZ 2.92Å; D86-K206 IonicContact OD2-NZ 2.67Å; D86-K206 PolarHBondContact OD2-NZ 2.57Å
87	D	97.3	Very high	97.5	Very high	68 Å²	68	58.7 Å²	58.7	36%	0.364	30%	0.299	S	S	.	.	H	α-helix	trans	-61	-28.8	175.6	-74.2	-14.1	0	0	0	112.5	N85 F89 R90 N91	N85-D87 PolarHBondContact O-N 3.01Å; N85-D87 WeakPolarHBondContact OD1-CB 3.31Å; N85-D87 PolarHBondContact OD1-N 3.33Å; D87-F89 PolarHBondContact O-N 3.28Å; D87-R90 PolarHBondContact O-N 3.41Å; D87-R90 IonicContact OD1-CZ 3.17Å; D87-R90 IonicContact OD1-NE 2.63Å; D87-R90 IonicContact OD1-NH2 3.56Å; D87-R90 PolarHBondContact OD1-NH2 2.88Å; D87-N91 WeakPolarHBondContact O-CB 3.47Å; D87-N91 VanDerWaalsContact O-CG 3.24Å; D87-N91 PolarHBondContact O-N 2.83Å; D87-N91 PolarHBondContact O-ND2 2.92Å
88	I	97	Very high	97.7	Very high	5 Å²	5	53.7 Å²	53.7	3%	0.026	26%	0.263	C	S	.	.	H	α-helix	trans	-60.5	-35.7	175.8	72.1	-161.3	0	0	0	111.3	V52 V84 N85 D86 R90 R92 W198	V52-I88 HydrophobicContact CG1-CB 4.4Å; V52-I88 HydrophobicContact CG1-CD1 3.93Å; V52-I88 HydrophobicContact CG1-CG2 4.24Å; V84-I88 HydrophobicContact CG1-CD1 3.44Å; V84-I88 VanDerWaalsContact CG1-CD1 3.44Å; N85-I88 HydrophobicContact CB-CG2 4.4Å; N85-I88 VanDerWaalsContact O-CD1 3.28Å; N85-I88 WeakPolarHBondContact O-CD1 3.41Å; N85-I88 WeakPolarHBondContact O-CG1 3.27Å; N85-I88 WeakPolarHBondContact O-CG2 3.4Å; N85-I88 PolarHBondContact O-N 2.91Å; D86-I88 PolarHBondContact O-N 2.75Å; I88-R90 VanDerWaalsContact C-N 3.32Å; I88-R90 PolarHBondContact O-N 3.48Å; I88-R92 VanDerWaalsContact O-CB 3.31Å; I88-R92 WeakPolarHBondContact O-CB 3.43Å; I88-R92 WeakPolarHBondContact O-CG 3.13Å; I88-R92 PolarHBondContact O-N 3.27Å; I88-W198 HydrophobicContact CD1-CH2 4.27Å
89	F	97.3	Very high	97.7	Very high	17 Å²	17	49.6 Å²	49.6	8%	0.075	25%	0.247	C	C	.	.	H	α-helix	trans	-72.9	-27.4	-177.8	-59	-39.6	0	0	0	112.5	V84 D86 D87 F95 S96 I99 W198 I199 Y202	V84-F89 HydrophobicContact CG1-CE2 3.94Å; V84-F89 HydrophobicContact CG1-CZ 3.61Å; D86-F89 HydrophobicContact CB-CD2 4.32Å; D86-F89 WeakPolarHBondContact O-CB 3.45Å; D86-F89 PolarHBondContact O-N 2.84Å; D86-F89 VanDerWaalsContact O-N 3.08Å; D87-F89 PolarHBondContact O-N 3.28Å; F89-F95 AromaticContact CD1-CD1 3.84Å; F89-F95 HydrophobicContact CD1-CD1 3.84Å; F89-F95 HydrophobicContact CE1-CD1 4.06Å; F89-F95 HydrophobicContact CE1-CE1 4.48Å; F89-S96 WeakPolarHBondContact O-CA 3.41Å; F89-S96 VanDerWaalsContact O-CB 3.3Å; F89-S96 WeakPolarHBondContact O-CB 3.49Å; F89-S96 PolarHBondContact O-N 3.45Å; F89-I99 HydrophobicContact CB-CD1 3.54Å; F89-I99 HydrophobicContact CD1-CD1 3.42Å; F89-I99 VanDerWaalsContact CD1-CD1 3.42Å; F89-I99 HydrophobicContact CD2-CD1 4.33Å; F89-I99 HydrophobicContact CE1-CD1 4.18Å; F89-I99 HydrophobicContact CG-CD1 3.49Å; F89-I99 VanDerWaalsContact CG-CD1 3.49Å; F89-W198 HydrophobicContact CE1-CH2 4.28Å; F89-W198 HydrophobicContact CZ-CZ3 4.47Å; F89-I199 HydrophobicContact CD1-CG2 4.45Å; F89-I199 HydrophobicContact CE1-CG2 3.87Å; F89-I199 HydrophobicContact CZ-CG2 4.44Å; F89-Y202 AromaticContact CE2-CD1 3.87Å; F89-Y202 HydrophobicContact CE2-CD1 3.87Å; F89-Y202 AromaticContact CE2-CE1 3.53Å; F89-Y202 HydrophobicContact CE2-CE1 3.53Å; F89-Y202 AromaticContact CZ-CD1 3.77Å; F89-Y202 HydrophobicContact CZ-CD1 3.77Å; F89-Y202 AromaticContact CZ-CE1 3.92Å; F89-Y202 HydrophobicContact CZ-CE1 3.92Å
90	R	95.2	Very high	97.7	Very high	171 Å²	171	48 Å²	48	65%	0.645	24%	0.24	S	C	*	.	H	α-helix	trans	-91.5	-37.3	179.2	-63.7	-174.2	-71.8	-164.9	-1	112.4	D87 I88	D87-R90 PolarHBondContact O-N 3.41Å; D87-R90 IonicContact OD1-CZ 3.17Å; D87-R90 IonicContact OD1-NE 2.63Å; D87-R90 IonicContact OD1-NH2 3.56Å; D87-R90 PolarHBondContact OD1-NH2 2.88Å; I88-R90 VanDerWaalsContact C-N 3.32Å; I88-R90 PolarHBondContact O-N 3.48Å
91	N	97.2	Very high	97.7	Very high	118 Å²	118	48 Å²	48	63%	0.631	24%	0.24	S	C	*	.	H	α-helix	trans	-96.1	-13.7	-167.6	-61.8	-22	0	0	0	113.7	D87	D87-N91 WeakPolarHBondContact O-CB 3.47Å; D87-N91 VanDerWaalsContact O-CG 3.24Å; D87-N91 PolarHBondContact O-N 2.83Å; D87-N91 PolarHBondContact O-ND2 2.92Å
92	R	97.8	Very high	97.7	Very high	43 Å²	43	48.2 Å²	48.2	16%	0.162	24%	0.241	C	C	.	.	S	Bend	trans	-103.3	114.4	175.6	-58.2	-179.6	-170.5	-167.8	1.2	109.2	N50 A51 I88 T94 F95 S96	N50-R92 PolarHBondContact O-NH1 2.97Å; A51-R92 PolarHBondContact O-NH1 3.43Å; I88-R92 VanDerWaalsContact O-CB 3.31Å; I88-R92 WeakPolarHBondContact O-CB 3.43Å; I88-R92 WeakPolarHBondContact O-CG 3.13Å; I88-R92 PolarHBondContact O-N 3.27Å; R92-T94 VanDerWaalsContact C-N 3.34Å; R92-T94 PolarHBondContact O-N 2.99Å; R92-F95 HydrophobicContact CB-CB 4.16Å; R92-F95 HydrophobicContact CB-CD2 3.7Å; R92-F95 HydrophobicContact CB-CG 4.22Å; R92-F95 HydrophobicContact CG-CD2 4.45Å; R92-F95 PolarHBondContact O-N 3.02Å; R92-F95 VanDerWaalsContact O-N 3.14Å; R92-S96 PolarHBondContact O-N 2.93Å
93	P	98.4	Very high	97.5	Very high	65 Å²	65	49 Å²	49	42%	0.422	25%	0.249	S	C	.	.	H	α-helix	trans	-55.6	-42.2	-173	-29.8	35.9	0	0	0	114.5	F95 S96 K97 E129	P93-F95 PolarHBondContact O-N 3.07Å; P93-S96 PolarHBondContact O-N 3.44Å; P93-K97 WeakPolarHBondContact O-CG 3.42Å; P93-K97 PolarHBondContact O-N 2.86Å; P93-E129 HydrophobicContact CB-CB 4.45Å; P93-E129 HydrophobicContact CB-CG 3.91Å; P93-E129 VanDerWaalsContact CB-OE2 3.31Å; P93-E129 WeakPolarHBondContact CB-OE2 3.42Å
94	T	98.6	Very high	97.4	Very high	3 Å²	3	46.3 Å²	46.3	2%	0.018	24%	0.24	C	C	.	.	H	α-helix	trans	-64.9	-39.1	179.2	52.3	0	0	0	0	112.5	R92 F98 E129 L130 T133 E249	R92-T94 VanDerWaalsContact C-N 3.34Å; R92-T94 PolarHBondContact O-N 2.99Å; T94-F98 WeakPolarHBondContact O-CB 3.35Å; T94-F98 PolarHBondContact O-N 2.6Å; T94-E129 HydrophobicContact CG2-CB 4.08Å; T94-L130 HydrophobicContact CG2-CD2 4.39Å; T94-T133 HydrophobicContact CG2-CG2 3.76Å; T94-E249 WeakPolarHBondContact CB-OE2 3.31Å; T94-E249 WeakPolarHBondContact CG2-OE2 3.36Å; T94-E249 PolarHBondContact OG1-OE1 3.37Å; T94-E249 PolarHBondContact OG1-OE2 3.4Å
95	F	98.7	Very high	97.1	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-65.5	-46.3	174.2	-77.1	-106.5	0	0	0	111.7	N50 V52 F89 R92 P93 K97 F98 I99 W198 I199 P248	N50-F95 HydrophobicContact CB-CE2 4.02Å; N50-F95 VanDerWaalsContact O-CE2 3.25Å; N50-F95 WeakPolarHBondContact O-CE2 3.3Å; N50-F95 WeakPolarHBondContact O-CZ 3.02Å; V52-F95 HydrophobicContact CG1-CE1 4.41Å; V52-F95 HydrophobicContact CG1-CZ 4.08Å; F89-F95 AromaticContact CD1-CD1 3.84Å; F89-F95 HydrophobicContact CD1-CD1 3.84Å; F89-F95 HydrophobicContact CE1-CD1 4.06Å; F89-F95 HydrophobicContact CE1-CE1 4.48Å; R92-F95 HydrophobicContact CB-CB 4.16Å; R92-F95 HydrophobicContact CB-CD2 3.7Å; R92-F95 HydrophobicContact CB-CG 4.22Å; R92-F95 HydrophobicContact CG-CD2 4.45Å; R92-F95 PolarHBondContact O-N 3.02Å; R92-F95 VanDerWaalsContact O-N 3.14Å; P93-F95 PolarHBondContact O-N 3.07Å; F95-K97 PolarHBondContact O-N 2.94Å; F95-F98 PolarHBondContact O-N 2.96Å; F95-I99 WeakPolarHBondContact O-CB 3.44Å; F95-I99 VanDerWaalsContact O-CG1 3.3Å; F95-I99 WeakPolarHBondContact O-CG1 3.47Å; F95-I99 PolarHBondContact O-N 3.34Å; F95-W198 HydrophobicContact CE1-CH2 4.21Å; F95-W198 AromaticContact CE1-CZ2 3.8Å; F95-W198 HydrophobicContact CE1-CZ2 3.8Å; F95-W198 HydrophobicContact CZ-CZ2 4.35Å; F95-I199 HydrophobicContact CD1-CD1 3.66Å; F95-I199 HydrophobicContact CD1-CG1 4.43Å; F95-I199 HydrophobicContact CE1-CD1 3.55Å; F95-I199 HydrophobicContact CE1-CG1 4.17Å; F95-I199 HydrophobicContact CZ-CD1 4.43Å; F95-P248 HydrophobicContact CD1-CG 4.5Å; F95-P248 HydrophobicContact CD2-CG 4.26Å; F95-P248 VanDerWaalsContact CE2-CD 3.42Å; F95-P248 HydrophobicContact CE2-CG 4.49Å; F95-P248 HydrophobicContact CG-CG 4.28Å
96	S	98.5	Very high	96.6	Very high	51 Å²	51	47 Å²	47	36%	0.357	24%	0.242	S	C	.	.	H	α-helix	trans	-60.1	-47	179.9	177.5	0	0	0	0	111.5	F89 R92 P93 I99 A100	F89-S96 WeakPolarHBondContact O-CA 3.41Å; F89-S96 VanDerWaalsContact O-CB 3.3Å; F89-S96 WeakPolarHBondContact O-CB 3.49Å; F89-S96 PolarHBondContact O-N 3.45Å; R92-S96 PolarHBondContact O-N 2.93Å; P93-S96 PolarHBondContact O-N 3.44Å; S96-I99 PolarHBondContact O-N 3.25Å; S96-A100 PolarHBondContact O-N 3.17Å
97	K	98.7	Very high	96.4	Very high	60 Å²	60	46.5 Å²	46.5	26%	0.261	24%	0.242	S	C	.	.	H	α-helix	trans	-70.8	-35.6	178.3	-64.1	-54.2	-173.6	168.2	0	112.9	P93 F95 A100 D125 F126 E129	P93-K97 WeakPolarHBondContact O-CG 3.42Å; P93-K97 PolarHBondContact O-N 2.86Å; F95-K97 PolarHBondContact O-N 2.94Å; K97-A100 PolarHBondContact O-N 3.09Å; K97-D125 HydrophobicContact CD-CB 3.87Å; K97-D125 HydrophobicContact CG-CB 4.42Å; K97-D125 IonicContact NZ-OD2 2.87Å; K97-D125 PolarHBondContact NZ-OD2 3.34Å; K97-F126 HydrophobicContact CB-CB 4.03Å; K97-F126 HydrophobicContact CB-CD2 3.96Å; K97-E129 HydrophobicContact CG-CG 3.71Å
98	F	98.7	Very high	96	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-60	-46.6	172.7	177.3	-97.5	0	0	0	111.6	T94 F95 A100 L101 L102 F126 F179 F183 I199 P248	T94-F98 WeakPolarHBondContact O-CB 3.35Å; T94-F98 PolarHBondContact O-N 2.6Å; F95-F98 PolarHBondContact O-N 2.96Å; F98-A100 VanDerWaalsContact C-N 3.32Å; F98-A100 PolarHBondContact O-N 3.1Å; F98-L101 WeakPolarHBondContact O-CB 3.35Å; F98-L101 PolarHBondContact O-N 2.62Å; F98-L101 VanDerWaalsContact O-N 3.09Å; F98-L102 HydrophobicContact CD1-CD1 4.09Å; F98-L102 HydrophobicContact CD1-CD2 4.47Å; F98-L102 HydrophobicContact CD1-CG 4.48Å; F98-L102 HydrophobicContact CE1-CD1 3.8Å; F98-L102 HydrophobicContact CE1-CD2 3.86Å; F98-L102 HydrophobicContact CE1-CG 4.24Å; F98-L102 HydrophobicContact CZ-CD2 3.92Å; F98-F126 HydrophobicContact CB-CD2 4.17Å; F98-F126 HydrophobicContact CB-CE2 3.71Å; F98-F126 HydrophobicContact CB-CZ 4.34Å; F98-F126 HydrophobicContact CD2-CE2 4.18Å; F98-F126 AromaticContact CD2-CZ 3.94Å; F98-F126 HydrophobicContact CD2-CZ 3.94Å; F98-F126 HydrophobicContact CG-CE2 4.46Å; F98-F179 AromaticContact CD2-CE2 3.78Å; F98-F179 HydrophobicContact CD2-CE2 3.78Å; F98-F179 AromaticContact CD2-CZ 3.79Å; F98-F179 HydrophobicContact CD2-CZ 3.79Å; F98-F179 AromaticContact CE2-CE2 3.61Å; F98-F179 HydrophobicContact CE2-CE2 3.61Å; F98-F179 AromaticContact CE2-CZ 3.58Å; F98-F179 HydrophobicContact CE2-CZ 3.58Å; F98-F179 HydrophobicContact CZ-CZ 4.38Å; F98-F183 HydrophobicContact CE2-CB 3.93Å; F98-F183 AromaticContact CE2-CD1 3.67Å; F98-F183 HydrophobicContact CE2-CD1 3.67Å; F98-F183 HydrophobicContact CE2-CD2 4.39Å; F98-F183 HydrophobicContact CE2-CE1 4.31Å; F98-F183 AromaticContact CE2-CG 3.75Å; F98-F183 HydrophobicContact CE2-CG 3.75Å; F98-F183 HydrophobicContact CZ-CB 3.85Å; F98-F183 AromaticContact CZ-CD1 3.74Å; F98-F183 HydrophobicContact CZ-CD1 3.74Å; F98-F183 AromaticContact CZ-CG 3.99Å; F98-F183 HydrophobicContact CZ-CG 3.99Å; F98-I199 HydrophobicContact CD1-CD1 4.1Å; F98-I199 HydrophobicContact CD1-CG2 4.31Å; F98-I199 HydrophobicContact CE1-CB 4.04Å; F98-I199 HydrophobicContact CE1-CD1 4.13Å; F98-I199 HydrophobicContact CE1-CG2 4.18Å; F98-P248 HydrophobicContact CB-CB 4Å; F98-P248 HydrophobicContact CB-CG 3.78Å; F98-P248 HydrophobicContact CD1-CG 4.29Å; F98-P248 HydrophobicContact CD2-CB 3.96Å; F98-P248 HydrophobicContact CD2-CG 4.32Å; F98-P248 HydrophobicContact CG-CB 4.01Å; F98-P248 HydrophobicContact CG-CG 3.88Å
99	I	98.4	Very high	95.6	Very high	43 Å²	43	46.4 Å²	46.4	22%	0.221	24%	0.24	C	C	.	.	H	α-helix	trans	-65.4	-37.2	-178.4	-70.8	169.8	0	0	0	111.9	F89 F95 S96 L101 L102 I199 L203	F89-I99 HydrophobicContact CB-CD1 3.54Å; F89-I99 HydrophobicContact CD1-CD1 3.42Å; F89-I99 VanDerWaalsContact CD1-CD1 3.42Å; F89-I99 HydrophobicContact CD2-CD1 4.33Å; F89-I99 HydrophobicContact CE1-CD1 4.18Å; F89-I99 HydrophobicContact CG-CD1 3.49Å; F89-I99 VanDerWaalsContact CG-CD1 3.49Å; F95-I99 WeakPolarHBondContact O-CB 3.44Å; F95-I99 VanDerWaalsContact O-CG1 3.3Å; F95-I99 WeakPolarHBondContact O-CG1 3.47Å; F95-I99 PolarHBondContact O-N 3.34Å; S96-I99 PolarHBondContact O-N 3.25Å; I99-L101 PolarHBondContact O-N 2.88Å; I99-L101 VanDerWaalsContact O-N 3.16Å; I99-L102 HydrophobicContact CB-CD1 4.43Å; I99-L102 HydrophobicContact CG1-CD1 4.19Å; I99-L102 PolarHBondContact O-N 3.27Å; I99-I199 HydrophobicContact CD1-CG2 4.1Å; I99-I199 HydrophobicContact CG1-CG2 4.02Å; I99-L203 HydrophobicContact CD1-CD1 4.15Å; I99-L203 HydrophobicContact CG1-CD1 3.91Å; I99-L203 HydrophobicContact CG2-CD1 4.1Å
100	A	97.9	Very high	95.1	Very high	34 Å²	34	46.9 Å²	46.9	28%	0.281	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-16.2	175	0	0	0	0	0	113.6	S96 K97 F98	S96-A100 PolarHBondContact O-N 3.17Å; K97-A100 PolarHBondContact O-N 3.09Å; F98-A100 VanDerWaalsContact C-N 3.32Å; F98-A100 PolarHBondContact O-N 3.1Å
101	L	98.4	Very high	94.7	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-25.3	174.2	-65.1	166	0	0	0	112.5	F98 I99 D103 N104 Y105 E122 E123 F126 F165 F179	F98-L101 WeakPolarHBondContact O-CB 3.35Å; F98-L101 PolarHBondContact O-N 2.62Å; F98-L101 VanDerWaalsContact O-N 3.09Å; I99-L101 PolarHBondContact O-N 2.88Å; I99-L101 VanDerWaalsContact O-N 3.16Å; L101-D103 PolarHBondContact O-N 3.06Å; L101-D103 VanDerWaalsContact O-N 3.14Å; L101-N104 WeakPolarHBondContact O-CB 3.47Å; L101-N104 PolarHBondContact O-N 2.78Å; L101-N104 VanDerWaalsContact O-N 3.16Å; L101-Y105 VanDerWaalsContact O-CD2 3.29Å; L101-Y105 WeakPolarHBondContact O-CD2 3.29Å; L101-Y105 WeakPolarHBondContact O-CE2 3.1Å; L101-E122 HydrophobicContact CD2-CB 3.83Å; L101-E123 HydrophobicContact CD2-CG 4.03Å; L101-F126 HydrophobicContact CD1-CB 3.74Å; L101-F126 HydrophobicContact CD1-CD1 3.63Å; L101-F126 HydrophobicContact CD1-CD2 4.39Å; L101-F126 HydrophobicContact CD1-CE1 4.28Å; L101-F126 HydrophobicContact CD1-CG 3.66Å; L101-F165 HydrophobicContact CD1-CE1 3.93Å; L101-F165 HydrophobicContact CD1-CZ 3.82Å; L101-F165 HydrophobicContact CD2-CE1 4.39Å; L101-F179 HydrophobicContact CB-CE1 3.78Å; L101-F179 HydrophobicContact CB-CZ 3.74Å; L101-F179 HydrophobicContact CD1-CE1 4.27Å; L101-F179 HydrophobicContact CD1-CE2 3.82Å; L101-F179 HydrophobicContact CD1-CZ 3.62Å; L101-F179 HydrophobicContact CG-CZ 4.34Å
102	L	97.7	Very high	94.2	Very high	16 Å²	16	40 Å²	40	8%	0.084	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-15.4	-161.3	-61.7	172.1	0	0	0	114.3	F98 I99 F179 V184 Q200 L203	F98-L102 HydrophobicContact CD1-CD1 4.09Å; F98-L102 HydrophobicContact CD1-CD2 4.47Å; F98-L102 HydrophobicContact CD1-CG 4.48Å; F98-L102 HydrophobicContact CE1-CD1 3.8Å; F98-L102 HydrophobicContact CE1-CD2 3.86Å; F98-L102 HydrophobicContact CE1-CG 4.24Å; F98-L102 HydrophobicContact CZ-CD2 3.92Å; I99-L102 HydrophobicContact CB-CD1 4.43Å; I99-L102 HydrophobicContact CG1-CD1 4.19Å; I99-L102 PolarHBondContact O-N 3.27Å; L102-F179 HydrophobicContact CD2-CE1 4.25Å; L102-F179 HydrophobicContact CD2-CZ 4.31Å; L102-V184 HydrophobicContact CD2-CG2 4.03Å; L102-Q200 HydrophobicContact CD1-CB 4.3Å; L102-Q200 VanDerWaalsContact CD1-OE1 3.29Å; L102-Q200 HydrophobicContact CD2-CB 4.36Å; L102-L203 HydrophobicContact CD1-CD1 3.79Å
103	D	93.9	Very high	93.6	Very high	126 Å²	126	39.1 Å²	39.1	67%	0.674	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.4	7.1	178.1	61.6	-19.2	0	0	0	114.1	L101	L101-D103 PolarHBondContact O-N 3.06Å; L101-D103 VanDerWaalsContact O-N 3.14Å
104	N	94.4	Very high	93.1	Very high	22 Å²	22	42 Å²	42	12%	0.118	24%	0.244	C	C	.	.	S	Bend	trans	-83.9	-7.3	-178.5	-72.1	-24.8	0	0	0	115.8	L101 Q119 E122	L101-N104 WeakPolarHBondContact O-CB 3.47Å; L101-N104 PolarHBondContact O-N 2.78Å; L101-N104 VanDerWaalsContact O-N 3.16Å; N104-Q119 HydrophobicContact CB-CG 4.04Å; N104-Q119 PolarHBondContact O-NE2 3.31Å; N104-Q119 WeakPolarHBondContact OD1-CG 3.28Å; N104-Q119 PolarHBondContact OD1-NE2 3.05Å; N104-E122 PolarHBondContact ND2-OE2 3.23Å; N104-E122 PolarHBondContact OD1-OE2 2.93Å
105	Y	92.9	Very high	92.7	Very high	23 Å²	23	44.5 Å²	44.5	9%	0.09	26%	0.26	C	S	.	.			trans	-117.5	150.2	-163.1	-57.8	-90.2	0	0	0	112.1	L101 E113 F165 R167 F179 E180 V184	L101-Y105 VanDerWaalsContact O-CD2 3.29Å; L101-Y105 WeakPolarHBondContact O-CD2 3.29Å; L101-Y105 WeakPolarHBondContact O-CE2 3.1Å; Y105-E113 WeakPolarHBondContact CA-OE1 3.46Å; Y105-F165 WeakPolarHBondContact OH-CD1 3.23Å; Y105-R167 VanDerWaalsContact CD1-NH1 3.3Å; Y105-R167 VanDerWaalsContact CE1-CZ 3.43Å; Y105-F179 HydrophobicContact CE1-CD1 4.46Å; Y105-F179 AromaticContact CE2-CD1 3.7Å; Y105-F179 HydrophobicContact CE2-CD1 3.7Å; Y105-F179 AromaticContact CE2-CE1 3.78Å; Y105-F179 HydrophobicContact CE2-CE1 3.78Å; Y105-F179 AromaticContact CZ-CD1 3.55Å; Y105-F179 WeakPolarHBondContact OH-CD1 3.29Å; Y105-E180 HydrophobicContact CD1-CB 3.56Å; Y105-E180 HydrophobicContact CD1-CG 3.56Å; Y105-E180 HydrophobicContact CE1-CB 3.77Å; Y105-E180 HydrophobicContact CE1-CG 4.29Å; Y105-E180 HydrophobicContact CG-CB 4.22Å; Y105-E180 HydrophobicContact CG-CG 3.92Å; Y105-V184 HydrophobicContact CD2-CG1 4.44Å; Y105-V184 HydrophobicContact CD2-CG2 3.62Å; Y105-V184 HydrophobicContact CE2-CG2 3.88Å; Y105-V184 HydrophobicContact CG-CG2 4.21Å
106	N	87.6	Confident	92.5	Very high	62 Å²	62	47.4 Å²	47.4	33%	0.332	28%	0.277	S	S	.	.			trans	-96.7	113.4	169	-176.1	-18.1	0	0	0	109.4	Q108 V111 E113	N106-Q108 PolarHBondContact O-N 3.37Å; N106-Q108 WeakPolarHBondContact OD1-CB 3.3Å; N106-Q108 PolarHBondContact OD1-N 2.86Å; N106-V111 WeakPolarHBondContact ND2-CG1 3.47Å; N106-E113 PolarHBondContact N-OE1 2.91Å
107	P	89.2	Confident	92.3	Very high	49 Å²	49	49 Å²	49	32%	0.318	29%	0.285	S	S	.	.	S	Bend	trans	-64.5	-14	-176.3	28.8	-36.8	0	0	0	113.6	V109 E186 H187	P107-V109 PolarHBondContact O-N 3.37Å; P107-E186 CarbonylContact O-C 3.39Å; P107-E186 VanDerWaalsContact O-CA 3.27Å; P107-E186 WeakPolarHBondContact O-CA 3.21Å; P107-H187 PolarHBondContact O-N 3.08Å
108	Q	90	Very high	92.2	Very high	64 Å²	64	51.1 Å²	51.1	30%	0.299	30%	0.295	S	S	.	.	B	Isolated β-bridge	trans	-80.6	105.9	177.1	-175.2	51.5	69.2	0	0	112.3	N106 V111 H187	N106-Q108 PolarHBondContact O-N 3.37Å; N106-Q108 WeakPolarHBondContact OD1-CB 3.3Å; N106-Q108 PolarHBondContact OD1-N 2.86Å; Q108-V111 HydrophobicContact CB-CG2 4.24Å; Q108-V111 HydrophobicContact CG-CG2 4.11Å; Q108-V111 PolarHBondContact O-N 3.43Å; Q108-H187 WeakPolarHBondContact CA-CE1 3.31Å; Q108-H187 VanDerWaalsContact CB-CE1 3.41Å; Q108-H187 WeakPolarHBondContact CB-CE1 3.36Å; Q108-H187 PolarHBondContact NE2-O 3.22Å; Q108-H187 PolarHBondContact OE1-CE1 3.41Å; Q108-H187 PolarHBondContact OE1-ND1 2.91Å
109	V	87.9	Confident	92.1	Very high	8 Å²	8	52.4 Å²	52.4	5%	0.048	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	146	170.7	-52.9	0	0	0	0	110.9	P107 R171 E186 H187 K188	P107-V109 PolarHBondContact O-N 3.37Å; V109-R171 HydrophobicContact CB-CG 4.16Å; V109-R171 HydrophobicContact CG2-CG 3.66Å; V109-E186 HydrophobicContact CG1-CB 3.83Å; V109-E186 HydrophobicContact CG1-CG 4.25Å; V109-H187 WeakPolarHBondContact CG2-O 3.42Å; V109-H187 PolarHBondContact N-O 3.43Å; V109-K188 HydrophobicContact CG2-CB 3.68Å; V109-K188 HydrophobicContact CG2-CD 4.37Å; V109-K188 HydrophobicContact CG2-CG 3.92Å
110	G	87	Confident	92	Very high	27 Å²	27	53.2 Å²	53.2	28%	0.278	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	94.4	-7.8	-176.4	0	0	0	0	0	114.4	S172 D175	G110-S172 WeakPolarHBondContact CA-OG 3.06Å; G110-S172 VanDerWaalsContact O-CB 3.24Å; G110-S172 WeakPolarHBondContact O-CB 3.48Å; G110-S172 PolarHBondContact O-OG 2.81Å; G110-D175 VanDerWaalsContact CA-OD2 3.26Å; G110-D175 WeakPolarHBondContact CA-OD2 3.5Å; G110-D175 PolarHBondContact N-OD2 2.99Å
111	V	86	Confident	92.1	Very high	63 Å²	63	58.3 Å²	58.3	38%	0.382	32%	0.318	S	S	.	.	S	Bend	trans	-93.7	114.6	169	-176.2	0	0	0	0	108.4	N106 Q108 E113 D175	N106-V111 WeakPolarHBondContact ND2-CG1 3.47Å; Q108-V111 HydrophobicContact CB-CG2 4.24Å; Q108-V111 HydrophobicContact CG-CG2 4.11Å; Q108-V111 PolarHBondContact O-N 3.43Å; V111-E113 PolarHBondContact O-N 2.89Å; V111-D175 WeakPolarHBondContact O-CA 3.2Å; V111-D175 WeakPolarHBondContact O-CB 3.16Å
112	T	88	Confident	92.1	Very high	80 Å²	80	61 Å²	61	49%	0.491	33%	0.331	S	S	.	.			trans	-63.5	129.7	174.5	-62.9	0	0	0	0	110.1	P173	T112-P173 WeakPolarHBondContact CB-O 3.44Å; T112-P173 VanDerWaalsContact CG2-O 3.24Å; T112-P173 WeakPolarHBondContact CG2-O 3.29Å; T112-P173 PolarHBondContact OG1-O 3.2Å
113	E	85.5	Confident	92.1	Very high	26 Å²	26	60.7 Å²	60.7	12%	0.121	33%	0.329	C	S	.	.			trans	-89.3	143.7	176.6	-60.1	-156	170.1	0	0	111.8	Y105 N106 V111 R167 G174	Y105-E113 WeakPolarHBondContact CA-OE1 3.46Å; N106-E113 PolarHBondContact N-OE1 2.91Å; V111-E113 PolarHBondContact O-N 2.89Å; E113-R167 IonicContact OE1-NH1 3.98Å; E113-R167 IonicContact OE2-CZ 2.9Å; E113-R167 IonicContact OE2-NH1 3.5Å; E113-R167 PolarHBondContact OE2-NH1 3.45Å; E113-R167 IonicContact OE2-NH2 2.68Å; E113-R167 PolarHBondContact OE2-NH2 3.23Å; E113-G174 PolarHBondContact N-O 3.43Å
114	V	87.7	Confident	92.3	Very high	125 Å²	125	57.5 Å²	57.5	76%	0.758	31%	0.312	S	S	*	.			trans	-112.9	110.5	171.8	179.6	0	0	0	0	107.5	T116	V114-T116 PolarHBondContact O-N 3.29Å
115	V	89.5	Confident	92.5	Very high	56 Å²	56	59.4 Å²	59.4	34%	0.339	32%	0.322	S	S	.	.			trans	-73.2	119.8	-179.6	-176.1	0	0	0	0	109.5	Q119 N120 R167	V115-Q119 HydrophobicContact CG1-CB 3.91Å; V115-N120 HydrophobicContact CG1-CB 4.14Å; V115-R167 HydrophobicContact CG2-CG 4.28Å
116	T	93.7	Very high	92.8	Very high	61 Å²	61	58.3 Å²	58.3	37%	0.374	32%	0.318	S	S	.	.			trans	-77.9	168.3	175.4	76.4	0	0	0	0	111.4	V114 E118 Q119 N120	V114-T116 PolarHBondContact O-N 3.29Å; T116-E118 PolarHBondContact O-N 3.16Å; T116-E118 PolarHBondContact OG1-N 2.91Å; T116-E118 PolarHBondContact OG1-OE2 3.4Å; T116-Q119 VanDerWaalsContact N-OE1 3.09Å; T116-Q119 PolarHBondContact O-N 3.44Å; T116-Q119 VanDerWaalsContact OG1-CG 3.3Å; T116-Q119 WeakPolarHBondContact OG1-CG 3.36Å; T116-Q119 PolarHBondContact OG1-N 3.02Å; T116-Q119 VanDerWaalsContact OG1-N 3.17Å; T116-N120 PolarHBondContact O-N 3.5Å
117	V	95.4	Very high	93.3	Very high	84 Å²	84	55.7 Å²	55.7	51%	0.509	30%	0.304	S	S	.	.	H	α-helix	trans	-63.7	-35.7	176.2	178	0	0	0	0	110.6	R121	V117-R121 VanDerWaalsContact CG1-CZ 3.48Å; V117-R121 VanDerWaalsContact O-CG 3.3Å; V117-R121 WeakPolarHBondContact O-CG 3.41Å; V117-R121 PolarHBondContact O-N 3.46Å; V117-R121 VanDerWaalsContact O-N 3.1Å
118	E	96.4	Very high	93.8	Very high	104 Å²	104	57.3 Å²	57.3	49%	0.486	31%	0.31	S	S	.	.	H	α-helix	trans	-65.4	-48.6	177.8	-65.5	63.3	-136.9	0	0	110.8	T116 N120 R121 E122	T116-E118 PolarHBondContact O-N 3.16Å; T116-E118 PolarHBondContact OG1-N 2.91Å; T116-E118 PolarHBondContact OG1-OE2 3.4Å; E118-N120 PolarHBondContact O-N 3.04Å; E118-R121 WeakPolarHBondContact O-CA 3.34Å; E118-R121 WeakPolarHBondContact O-CB 3.43Å; E118-R121 PolarHBondContact O-N 3.02Å; E118-R121 IonicContact OE1-NH1 3.77Å; E118-E122 PolarHBondContact O-N 3.39Å
119	Q	96.7	Very high	94.2	Very high	27 Å²	27	56 Å²	56	13%	0.126	30%	0.303	C	S	.	.	H	α-helix	trans	-60.5	-44.6	177.7	-67.1	-179.1	-28.8	0	0	111.8	N104 V115 T116 R121 E122 E123	N104-Q119 HydrophobicContact CB-CG 4.04Å; N104-Q119 PolarHBondContact O-NE2 3.31Å; N104-Q119 WeakPolarHBondContact OD1-CG 3.28Å; N104-Q119 PolarHBondContact OD1-NE2 3.05Å; V115-Q119 HydrophobicContact CG1-CB 3.91Å; T116-Q119 VanDerWaalsContact N-OE1 3.09Å; T116-Q119 PolarHBondContact O-N 3.44Å; T116-Q119 VanDerWaalsContact OG1-CG 3.3Å; T116-Q119 WeakPolarHBondContact OG1-CG 3.36Å; T116-Q119 PolarHBondContact OG1-N 3.02Å; T116-Q119 VanDerWaalsContact OG1-N 3.17Å; Q119-R121 VanDerWaalsContact C-N 3.25Å; Q119-R121 PolarHBondContact O-N 2.63Å; Q119-E122 PolarHBondContact O-N 2.95Å; Q119-E122 VanDerWaalsContact O-N 3.15Å; Q119-E123 WeakPolarHBondContact O-CG 3.29Å; Q119-E123 PolarHBondContact O-N 2.05Å
120	N	97.1	Very high	94.7	Very high	61 Å²	61	55.6 Å²	55.6	33%	0.326	30%	0.301	S	S	.	.	H	α-helix	trans	-61.2	-35	175.3	176.7	87	0	0	0	112.2	V115 T116 E118 D124 K161	V115-N120 HydrophobicContact CG1-CB 4.14Å; T116-N120 PolarHBondContact O-N 3.5Å; E118-N120 PolarHBondContact O-N 3.04Å; N120-D124 PolarHBondContact ND2-OD2 3.41Å; N120-D124 VanDerWaalsContact ND2-OD2 3.1Å; N120-D124 PolarHBondContact O-N 2.77Å; N120-K161 PolarHBondContact OD1-NZ 2.89Å
121	R	98.2	Very high	95.3	Very high	141 Å²	141	55.6 Å²	55.6	53%	0.532	30%	0.295	S	S	.	.	H	α-helix	trans	-68.9	-38	175.5	-73.9	169.9	-177	146.5	2.3	111.8	V117 E118 Q119 E123 D124 D125	V117-R121 VanDerWaalsContact CG1-CZ 3.48Å; V117-R121 VanDerWaalsContact O-CG 3.3Å; V117-R121 WeakPolarHBondContact O-CG 3.41Å; V117-R121 PolarHBondContact O-N 3.46Å; V117-R121 VanDerWaalsContact O-N 3.1Å; E118-R121 WeakPolarHBondContact O-CA 3.34Å; E118-R121 WeakPolarHBondContact O-CB 3.43Å; E118-R121 PolarHBondContact O-N 3.02Å; E118-R121 IonicContact OE1-NH1 3.77Å; Q119-R121 VanDerWaalsContact C-N 3.25Å; Q119-R121 PolarHBondContact O-N 2.63Å; R121-E123 VanDerWaalsContact C-N 3.34Å; R121-D124 PolarHBondContact O-N 3.29Å; R121-D125 WeakPolarHBondContact O-CB 3.24Å; R121-D125 PolarHBondContact O-N 3.47Å
122	E	98.5	Very high	95.9	Very high	56 Å²	56	59.1 Å²	59.1	26%	0.262	31%	0.305	S	S	.	.	H	α-helix	trans	-65.3	-39.4	176	-70.9	166.6	167.8	0	0	111.6	L101 N104 E118 Q119 D125 F126	L101-E122 HydrophobicContact CD2-CB 3.83Å; N104-E122 PolarHBondContact ND2-OE2 3.23Å; N104-E122 PolarHBondContact OD1-OE2 2.93Å; E118-E122 PolarHBondContact O-N 3.39Å; Q119-E122 PolarHBondContact O-N 2.95Å; Q119-E122 VanDerWaalsContact O-N 3.15Å; E122-D125 PolarHBondContact O-N 2.92Å; E122-F126 WeakPolarHBondContact O-CB 3.28Å; E122-F126 PolarHBondContact O-N 3.12Å
123	E	98.6	Very high	96.4	Very high	10 Å²	10	56.1 Å²	56.1	5%	0.047	29%	0.286	C	S	.	.	H	α-helix	trans	-59.9	-47.9	171.4	-66.8	171.9	-177.7	0	0	111.2	L101 Q119 R121 D125 F126 I127 K161 F165	L101-E123 HydrophobicContact CD2-CG 4.03Å; Q119-E123 WeakPolarHBondContact O-CG 3.29Å; Q119-E123 PolarHBondContact O-N 2.05Å; R121-E123 VanDerWaalsContact C-N 3.34Å; E123-D125 PolarHBondContact O-N 2.96Å; E123-F126 PolarHBondContact O-N 3.43Å; E123-I127 VanDerWaalsContact O-CG1 3.3Å; E123-I127 WeakPolarHBondContact O-CG1 3.44Å; E123-I127 PolarHBondContact O-N 2.84Å; E123-K161 VanDerWaalsContact OE2-CE 3.22Å; E123-K161 WeakPolarHBondContact OE2-CE 3.44Å; E123-K161 IonicContact OE2-NZ 3.23Å; E123-F165 HydrophobicContact CB-CD2 4.13Å; E123-F165 HydrophobicContact CB-CE2 4.36Å; E123-F165 HydrophobicContact CB-CG 4.26Å; E123-F165 HydrophobicContact CG-CB 4.19Å; E123-F165 HydrophobicContact CG-CD1 3.77Å; E123-F165 HydrophobicContact CG-CD2 4.14Å; E123-F165 HydrophobicContact CG-CE1 4.17Å; E123-F165 HydrophobicContact CG-CG 3.76Å
124	D	98.6	Very high	97	Very high	58 Å²	58	60 Å²	60	31%	0.31	30%	0.303	S	S	.	.	H	α-helix	trans	-61.3	-44.3	177.6	-74.7	-33.7	0	0	0	111.7	N120 R121 I127 N128 K161	N120-D124 PolarHBondContact ND2-OD2 3.41Å; N120-D124 VanDerWaalsContact ND2-OD2 3.1Å; N120-D124 PolarHBondContact O-N 2.77Å; R121-D124 PolarHBondContact O-N 3.29Å; D124-I127 PolarHBondContact O-N 2.74Å; D124-N128 WeakPolarHBondContact O-CB 3.24Å; D124-N128 PolarHBondContact O-N 2.94Å; D124-N128 PolarHBondContact O-ND2 3.23Å; D124-K161 WeakPolarHBondContact OD1-CD 3.37Å; D124-K161 WeakPolarHBondContact OD1-CE 3.39Å; D124-K161 IonicContact OD1-NZ 3.38Å; D124-K161 PolarHBondContact OD1-NZ 2.93Å; D124-K161 IonicContact OD2-NZ 3.94Å; D124-K161 PolarHBondContact OD2-NZ 3.13Å
125	D	98.7	Very high	97.5	Very high	62 Å²	62	54.1 Å²	54.1	33%	0.332	27%	0.267	S	S	.	.	H	α-helix	trans	-61.7	-44.4	177.6	-83.2	-2	0	0	0	111.9	K97 R121 E122 E123 N128 E129	K97-D125 HydrophobicContact CD-CB 3.87Å; K97-D125 HydrophobicContact CG-CB 4.42Å; K97-D125 IonicContact NZ-OD2 2.87Å; K97-D125 PolarHBondContact NZ-OD2 3.34Å; R121-D125 WeakPolarHBondContact O-CB 3.24Å; R121-D125 PolarHBondContact O-N 3.47Å; E122-D125 PolarHBondContact O-N 2.92Å; E123-D125 PolarHBondContact O-N 2.96Å; D125-N128 PolarHBondContact O-N 3.42Å; D125-E129 PolarHBondContact O-N 3.47Å
126	F	98.8	Very high	98	Very high	1 Å²	1	51.5 Å²	51.5	0%	0.004	25%	0.251	C	S	.	.	H	α-helix	trans	-64	-47.2	177.4	178.5	-116.9	0	0	0	111.6	K97 F98 L101 E122 E123 N128 E129 L130 F165 F179 P248 I252	K97-F126 HydrophobicContact CB-CB 4.03Å; K97-F126 HydrophobicContact CB-CD2 3.96Å; F98-F126 HydrophobicContact CB-CD2 4.17Å; F98-F126 HydrophobicContact CB-CE2 3.71Å; F98-F126 HydrophobicContact CB-CZ 4.34Å; F98-F126 HydrophobicContact CD2-CE2 4.18Å; F98-F126 AromaticContact CD2-CZ 3.94Å; F98-F126 HydrophobicContact CD2-CZ 3.94Å; F98-F126 HydrophobicContact CG-CE2 4.46Å; L101-F126 HydrophobicContact CD1-CB 3.74Å; L101-F126 HydrophobicContact CD1-CD1 3.63Å; L101-F126 HydrophobicContact CD1-CD2 4.39Å; L101-F126 HydrophobicContact CD1-CE1 4.28Å; L101-F126 HydrophobicContact CD1-CG 3.66Å; E122-F126 WeakPolarHBondContact O-CB 3.28Å; E122-F126 PolarHBondContact O-N 3.12Å; E123-F126 PolarHBondContact O-N 3.43Å; F126-N128 VanDerWaalsContact C-N 3.28Å; F126-N128 PolarHBondContact O-N 3.32Å; F126-E129 PolarHBondContact O-N 2.93Å; F126-L130 HydrophobicContact CD1-CD1 3.96Å; F126-L130 HydrophobicContact CD1-CG 4.35Å; F126-L130 HydrophobicContact CD2-CG 4.39Å; F126-L130 HydrophobicContact CE1-CD1 3.54Å; F126-L130 HydrophobicContact CE1-CD2 4.43Å; F126-L130 HydrophobicContact CE1-CG 4.05Å; F126-L130 HydrophobicContact CE2-CD1 4.41Å; F126-L130 HydrophobicContact CE2-CD2 3.97Å; F126-L130 HydrophobicContact CE2-CG 4.04Å; F126-L130 HydrophobicContact CZ-CD1 3.79Å; F126-L130 HydrophobicContact CZ-CD2 3.82Å; F126-L130 HydrophobicContact CZ-CG 3.88Å; F126-L130 WeakPolarHBondContact O-CG 3.43Å; F126-L130 PolarHBondContact O-N 1.98Å; F126-F165 HydrophobicContact CD1-CE2 4.24Å; F126-F165 AromaticContact CD1-CZ 3.75Å; F126-F165 HydrophobicContact CD1-CZ 3.75Å; F126-F165 HydrophobicContact CE1-CZ 4.23Å; F126-F179 HydrophobicContact CE1-CE2 4.22Å; F126-P248 HydrophobicContact CE2-CB 4Å; F126-P248 HydrophobicContact CZ-CB 4.07Å; F126-I252 HydrophobicContact CE1-CD1 4.37Å; F126-I252 HydrophobicContact CE1-CG1 4.32Å; F126-I252 HydrophobicContact CZ-CG1 4.19Å
127	I	98.8	Very high	98.2	Very high	7 Å²	7	51.6 Å²	51.6	4%	0.036	25%	0.249	C	C	.	.	H	α-helix	trans	-57	-44.1	174.7	-67.7	-62.6	0	0	0	110.6	E123 D124 E129 L130 L131 L160 K161 F165	E123-I127 VanDerWaalsContact O-CG1 3.3Å; E123-I127 WeakPolarHBondContact O-CG1 3.44Å; E123-I127 PolarHBondContact O-N 2.84Å; D124-I127 PolarHBondContact O-N 2.74Å; I127-E129 PolarHBondContact O-N 2.91Å; I127-L130 HydrophobicContact CD1-CD1 4.26Å; I127-L130 WeakPolarHBondContact O-CB 3.12Å; I127-L130 PolarHBondContact O-N 3.04Å; I127-L131 HydrophobicContact CG2-CD1 4.19Å; I127-L131 HydrophobicContact CG2-CG 4.37Å; I127-L131 VanDerWaalsContact O-CG 3.32Å; I127-L131 WeakPolarHBondContact O-CG 3.26Å; I127-L131 PolarHBondContact O-N 3.38Å; I127-L160 HydrophobicContact CD1-CB 3.66Å; I127-K161 HydrophobicContact CD1-CB 4.49Å; I127-K161 HydrophobicContact CG1-CB 4.2Å; I127-F165 HydrophobicContact CD1-CD2 4.5Å; I127-F165 HydrophobicContact CD1-CE2 3.88Å; I127-F165 HydrophobicContact CG1-CE2 4.03Å
128	N	98.8	Very high	98.4	Very high	82 Å²	82	49.7 Å²	49.7	44%	0.439	24%	0.236	S	C	.	.	H	α-helix	trans	-63.1	-39.2	179.1	-73	-34.3	0	0	0	112.7	D124 D125 F126 K132	D124-N128 WeakPolarHBondContact O-CB 3.24Å; D124-N128 PolarHBondContact O-N 2.94Å; D124-N128 PolarHBondContact O-ND2 3.23Å; D125-N128 PolarHBondContact O-N 3.42Å; F126-N128 VanDerWaalsContact C-N 3.28Å; F126-N128 PolarHBondContact O-N 3.32Å; N128-K132 WeakPolarHBondContact O-CG 2.97Å
129	E	98.8	Very high	98.5	Very high	36 Å²	36	44.8 Å²	44.8	17%	0.168	21%	0.212	C	C	.	.	H	α-helix	trans	-69	-39.5	173.8	-67.2	-50.1	140.5	0	0	112.2	P93 T94 K97 D125 F126 I127 L131 K132	P93-E129 HydrophobicContact CB-CB 4.45Å; P93-E129 HydrophobicContact CB-CG 3.91Å; P93-E129 VanDerWaalsContact CB-OE2 3.31Å; P93-E129 WeakPolarHBondContact CB-OE2 3.42Å; T94-E129 HydrophobicContact CG2-CB 4.08Å; K97-E129 HydrophobicContact CG-CG 3.71Å; D125-E129 PolarHBondContact O-N 3.47Å; F126-E129 PolarHBondContact O-N 2.93Å; I127-E129 PolarHBondContact O-N 2.91Å; E129-L131 PolarHBondContact O-N 2.85Å; E129-K132 PolarHBondContact O-N 3.33Å; E129-K132 IonicContact OE1-NZ 2.7Å; E129-K132 PolarHBondContact OE1-NZ 3.18Å; E129-K132 WeakPolarHBondContact OE2-CD 2.99Å; E129-K132 IonicContact OE2-NZ 3.78Å; E129-K132 PolarHBondContact OE2-NZ 3.4Å; E129-K132 VanDerWaalsContact OE2-NZ 3.17Å
130	L	98.8	Very high	98.6	Very high	0 Å²	0	45 Å²	45	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-55.6	-50.1	174.6	-74.2	-177.7	0	0	0	111.1	T94 F126 I127 K132 T133 M136 E249 I252	T94-L130 HydrophobicContact CG2-CD2 4.39Å; F126-L130 HydrophobicContact CD1-CD1 3.96Å; F126-L130 HydrophobicContact CD1-CG 4.35Å; F126-L130 HydrophobicContact CD2-CG 4.39Å; F126-L130 HydrophobicContact CE1-CD1 3.54Å; F126-L130 HydrophobicContact CE1-CD2 4.43Å; F126-L130 HydrophobicContact CE1-CG 4.05Å; F126-L130 HydrophobicContact CE2-CD1 4.41Å; F126-L130 HydrophobicContact CE2-CD2 3.97Å; F126-L130 HydrophobicContact CE2-CG 4.04Å; F126-L130 HydrophobicContact CZ-CD1 3.79Å; F126-L130 HydrophobicContact CZ-CD2 3.82Å; F126-L130 HydrophobicContact CZ-CG 3.88Å; F126-L130 WeakPolarHBondContact O-CG 3.43Å; F126-L130 PolarHBondContact O-N 1.98Å; I127-L130 HydrophobicContact CD1-CD1 4.26Å; I127-L130 WeakPolarHBondContact O-CB 3.12Å; I127-L130 PolarHBondContact O-N 3.04Å; L130-K132 PolarHBondContact O-N 3.3Å; L130-K132 VanDerWaalsContact O-N 3.11Å; L130-T133 WeakPolarHBondContact O-CB 3.13Å; L130-T133 WeakPolarHBondContact O-CG2 3.24Å; L130-T133 PolarHBondContact O-N 3.15Å; L130-T133 PolarHBondContact O-OG1 2.8Å; L130-M136 VanDerWaalsContact C-CG 3.46Å; L130-M136 HydrophobicContact CB-CG 3.86Å; L130-M136 WeakPolarHBondContact O-CB 3.48Å; L130-M136 WeakPolarHBondContact O-CG 3.44Å; L130-E249 HydrophobicContact CD2-CB 3.53Å; L130-I252 HydrophobicContact CD1-CB 4.47Å; L130-I252 HydrophobicContact CD1-CG1 4.33Å; L130-I252 HydrophobicContact CD1-CG2 3.94Å
131	L	98.7	Very high	98.7	Very high	28 Å²	28	47.1 Å²	47.1	15%	0.147	22%	0.224	C	C	.	.	H	α-helix	trans	-62.7	-19.3	-176.9	-65.4	178.6	0	0	0	114	I127 E129 T133 M153 F156 L160	I127-L131 HydrophobicContact CG2-CD1 4.19Å; I127-L131 HydrophobicContact CG2-CG 4.37Å; I127-L131 VanDerWaalsContact O-CG 3.32Å; I127-L131 WeakPolarHBondContact O-CG 3.26Å; I127-L131 PolarHBondContact O-N 3.38Å; E129-L131 PolarHBondContact O-N 2.85Å; L131-T133 VanDerWaalsContact C-N 3.31Å; L131-M153 HydrophobicContact CD2-CG 4.13Å; L131-M153 HydrophobicContact CD2-SD 3.87Å; L131-F156 HydrophobicContact CD2-CD1 3.77Å; L131-F156 HydrophobicContact CD2-CE1 4.28Å; L131-L160 HydrophobicContact CD2-CD1 4.26Å
132	K	98.5	Very high	98.7	Very high	137 Å²	137	41.3 Å²	41.3	60%	0.596	20%	0.202	S	C	*	.	H	α-helix	trans	-77.5	-17.9	174.9	-64.9	169.7	-164.5	174	0	112.8	N128 E129 L130	N128-K132 WeakPolarHBondContact O-CG 2.97Å; E129-K132 PolarHBondContact O-N 3.33Å; E129-K132 IonicContact OE1-NZ 2.7Å; E129-K132 PolarHBondContact OE1-NZ 3.18Å; E129-K132 WeakPolarHBondContact OE2-CD 2.99Å; E129-K132 IonicContact OE2-NZ 3.78Å; E129-K132 PolarHBondContact OE2-NZ 3.4Å; E129-K132 VanDerWaalsContact OE2-NZ 3.17Å; L130-K132 PolarHBondContact O-N 3.3Å; L130-K132 VanDerWaalsContact O-N 3.11Å
133	T	98.7	Very high	98.7	Very high	16 Å²	16	38.6 Å²	38.6	10%	0.098	19%	0.19	C	C	.	.	S	Bend	trans	-77.5	149	-174.6	69.6	0	0	0	0	112.3	T94 L130 L131 I135 M136 N137 E249	T94-T133 HydrophobicContact CG2-CG2 3.76Å; L130-T133 WeakPolarHBondContact O-CB 3.13Å; L130-T133 WeakPolarHBondContact O-CG2 3.24Å; L130-T133 PolarHBondContact O-N 3.15Å; L130-T133 PolarHBondContact O-OG1 2.8Å; L131-T133 VanDerWaalsContact C-N 3.31Å; T133-I135 VanDerWaalsContact C-N 3.29Å; T133-I135 PolarHBondContact O-N 2.73Å; T133-M136 PolarHBondContact O-N 3.46Å; T133-M136 WeakPolarHBondContact OG1-CB 3.17Å; T133-M136 WeakPolarHBondContact OG1-CG 3.45Å; T133-M136 PolarHBondContact OG1-N 2.97Å; T133-M136 VanDerWaalsContact OG1-N 3.12Å; T133-N137 PolarHBondContact O-N 2.97Å; T133-N137 PolarHBondContact O-ND2 3.38Å; T133-E249 HydrophobicContact CG2-CB 4.07Å; T133-E249 HydrophobicContact CG2-CG 3.86Å
134	K	98.5	Very high	98.7	Very high	108 Å²	108	40.9 Å²	40.9	47%	0.47	20%	0.204	S	C	.	.	H	α-helix	trans	-60.8	-39.1	173	-175.6	176	177.1	-178.9	0	112.1	A47 M136 N137 M138	A47-K134 HydrophobicContact CB-CD 4.1Å; A47-K134 HydrophobicContact CB-CG 4.38Å; K134-M136 PolarHBondContact O-N 3.37Å; K134-N137 PolarHBondContact O-N 2.93Å; K134-M138 HydrophobicContact CG-SD 4.05Å; K134-M138 VanDerWaalsContact O-CG 3.3Å; K134-M138 WeakPolarHBondContact O-CG 3.37Å; K134-M138 PolarHBondContact O-N 3.32Å
135	I	98.5	Very high	98.7	Very high	2 Å²	2	45.5 Å²	45.5	1%	0.01	22%	0.221	C	C	.	.	H	α-helix	trans	-59.4	-45.2	177.5	-70.4	-177.7	0	0	0	111	L44 A47 D48 T133 M138 T139 E249 F250 A253	L44-I135 HydrophobicContact CB-CG2 4.49Å; L44-I135 HydrophobicContact CD1-CG2 4.34Å; L44-I135 HydrophobicContact CD2-CB 4.36Å; L44-I135 HydrophobicContact CD2-CG1 4.48Å; L44-I135 HydrophobicContact CD2-CG2 3.91Å; L44-I135 HydrophobicContact CG-CG2 4.47Å; A47-I135 HydrophobicContact CB-CG1 4.35Å; D48-I135 VanDerWaalsContact CA-CD1 3.5Å; D48-I135 HydrophobicContact CB-CD1 3.6Å; T133-I135 VanDerWaalsContact C-N 3.29Å; T133-I135 PolarHBondContact O-N 2.73Å; I135-M138 PolarHBondContact O-N 2.94Å; I135-T139 WeakPolarHBondContact O-CB 3.29Å; I135-T139 PolarHBondContact O-N 3.44Å; I135-T139 PolarHBondContact O-OG1 3Å; I135-E249 HydrophobicContact CB-CG 4.41Å; I135-E249 HydrophobicContact CD1-CG 4.22Å; I135-F250 HydrophobicContact CD1-CB 4.02Å; I135-F250 HydrophobicContact CD1-CD2 4.27Å; I135-A253 HydrophobicContact CG2-CB 3.49Å; I135-A253 VanDerWaalsContact CG2-CB 3.49Å
136	M	98.7	Very high	98.6	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-67.5	-37.2	178.5	-79.8	-48	105.3	0	0	113	L130 T133 K134 M138 T139 Y140 F156 L160 E249 I252 A253	L130-M136 VanDerWaalsContact C-CG 3.46Å; L130-M136 HydrophobicContact CB-CG 3.86Å; L130-M136 WeakPolarHBondContact O-CB 3.48Å; L130-M136 WeakPolarHBondContact O-CG 3.44Å; T133-M136 PolarHBondContact O-N 3.46Å; T133-M136 WeakPolarHBondContact OG1-CB 3.17Å; T133-M136 WeakPolarHBondContact OG1-CG 3.45Å; T133-M136 PolarHBondContact OG1-N 2.97Å; T133-M136 VanDerWaalsContact OG1-N 3.12Å; K134-M136 PolarHBondContact O-N 3.37Å; M136-M138 VanDerWaalsContact C-N 3.33Å; M136-M138 PolarHBondContact O-N 3.41Å; M136-T139 WeakPolarHBondContact O-CB 3.38Å; M136-T139 PolarHBondContact O-N 3.41Å; M136-Y140 WeakPolarHBondContact O-CB 3.46Å; M136-Y140 PolarHBondContact O-N 3.44Å; M136-F156 HydrophobicContact SD-CE1 4.25Å; M136-F156 HydrophobicContact SD-CZ 4.38Å; M136-L160 HydrophobicContact SD-CD1 4.11Å; M136-E249 HydrophobicContact CE-CB 4.11Å; M136-E249 WeakPolarHBondContact CE-O 3.44Å; M136-I252 HydrophobicContact CE-CG2 4.35Å; M136-I252 HydrophobicContact SD-CG2 4.42Å; M136-A253 HydrophobicContact CE-CB 3.5Å; M136-A253 VanDerWaalsContact CE-CB 3.5Å
137	N	98.6	Very high	98.6	Very high	63 Å²	63	53.8 Å²	53.8	34%	0.337	26%	0.257	S	S	.	.	H	α-helix	trans	-60.3	-44.9	174	-74.3	-69.1	0	0	0	111.4	T133 K134 T139 Y140 D141 M153	T133-N137 PolarHBondContact O-N 2.97Å; T133-N137 PolarHBondContact O-ND2 3.38Å; K134-N137 PolarHBondContact O-N 2.93Å; N137-T139 VanDerWaalsContact C-N 3.3Å; N137-T139 PolarHBondContact O-N 3.49Å; N137-Y140 WeakPolarHBondContact O-CB 3.42Å; N137-Y140 PolarHBondContact O-N 3.01Å; N137-D141 PolarHBondContact O-N 3.46Å; N137-M153 WeakPolarHBondContact OD1-CE 3.28Å
138	M	98.8	Very high	98.5	Very high	45 Å²	45	58.4 Å²	58.4	22%	0.222	28%	0.277	C	S	.	.	H	α-helix	trans	-63.3	-37	175.3	-67	169.2	67.1	0	0	112.5	F40 K43 L44 A47 K134 I135 M136 F142	F40-M138 HydrophobicContact CE2-CB 4.37Å; K43-M138 HydrophobicContact CB-CE 3.6Å; L44-M138 HydrophobicContact CD2-CB 3.62Å; L44-M138 HydrophobicContact CD2-CE 3.9Å; L44-M138 HydrophobicContact CD2-CG 4.47Å; L44-M138 HydrophobicContact CD2-SD 4.11Å; A47-M138 HydrophobicContact CB-CE 4.39Å; A47-M138 HydrophobicContact CB-SD 3.75Å; K134-M138 HydrophobicContact CG-SD 4.05Å; K134-M138 VanDerWaalsContact O-CG 3.3Å; K134-M138 WeakPolarHBondContact O-CG 3.37Å; K134-M138 PolarHBondContact O-N 3.32Å; I135-M138 PolarHBondContact O-N 2.94Å; M136-M138 VanDerWaalsContact C-N 3.33Å; M136-M138 PolarHBondContact O-N 3.41Å; M138-F142 WeakPolarHBondContact O-CB 2.93Å; M138-F142 PolarHBondContact O-N 3.34Å
139	T	98.9	Very high	98.4	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-65.7	-45.6	177	-59	0	0	0	0	111.6	I135 M136 N137 F142 L143 F156 A253 V257	I135-T139 WeakPolarHBondContact O-CB 3.29Å; I135-T139 PolarHBondContact O-N 3.44Å; I135-T139 PolarHBondContact O-OG1 3Å; M136-T139 WeakPolarHBondContact O-CB 3.38Å; M136-T139 PolarHBondContact O-N 3.41Å; N137-T139 VanDerWaalsContact C-N 3.3Å; N137-T139 PolarHBondContact O-N 3.49Å; T139-F142 PolarHBondContact O-N 3.42Å; T139-L143 HydrophobicContact CG2-CD1 4.01Å; T139-L143 WeakPolarHBondContact O-CG 3Å; T139-L143 PolarHBondContact O-N 2.72Å; T139-F156 HydrophobicContact CG2-CZ 3.88Å; T139-A253 HydrophobicContact CG2-CB 4.4Å; T139-A253 VanDerWaalsContact OG1-CB 3.26Å; T139-A253 WeakPolarHBondContact OG1-CB 3.47Å; T139-V257 HydrophobicContact CG2-CG2 3.74Å
140	Y	98.8	Very high	98.2	Very high	33 Å²	33	58.3 Å²	58.3	13%	0.129	29%	0.285	C	S	.	.	H	α-helix	trans	-55.7	-54.9	173.9	169.9	-101.3	0	0	0	111.3	M136 N137 F142 L143 V144 I149 G151 M153 F156	M136-Y140 WeakPolarHBondContact O-CB 3.46Å; M136-Y140 PolarHBondContact O-N 3.44Å; N137-Y140 WeakPolarHBondContact O-CB 3.42Å; N137-Y140 PolarHBondContact O-N 3.01Å; Y140-F142 VanDerWaalsContact C-N 3.26Å; Y140-F142 PolarHBondContact O-N 3.24Å; Y140-L143 PolarHBondContact O-N 2.95Å; Y140-V144 HydrophobicContact CD1-CG2 4.46Å; Y140-V144 HydrophobicContact CD2-CG2 4.14Å; Y140-V144 HydrophobicContact CE1-CG2 4.07Å; Y140-V144 HydrophobicContact CE2-CG2 3.73Å; Y140-V144 HydrophobicContact CG-CG2 4.5Å; Y140-V144 WeakPolarHBondContact O-CG2 3.25Å; Y140-V144 PolarHBondContact O-N 2.96Å; Y140-I149 HydrophobicContact CD2-CD1 3.56Å; Y140-I149 HydrophobicContact CE2-CD1 4.06Å; Y140-I149 HydrophobicContact CG-CD1 4.44Å; Y140-G151 PolarHBondContact OH-O 3.49Å; Y140-M153 HydrophobicContact CD1-CE 3.53Å; Y140-M153 HydrophobicContact CD1-SD 4.48Å; Y140-M153 HydrophobicContact CD2-CE 4.28Å; Y140-M153 HydrophobicContact CD2-SD 4.21Å; Y140-M153 HydrophobicContact CE1-CE 4.17Å; Y140-M153 HydrophobicContact CG-CE 3.59Å; Y140-M153 HydrophobicContact CG-SD 3.97Å; Y140-F156 HydrophobicContact CD2-CB 3.54Å; Y140-F156 AromaticContact CD2-CD1 3.93Å; Y140-F156 HydrophobicContact CD2-CD1 3.93Å; Y140-F156 HydrophobicContact CD2-CD2 4.45Å; Y140-F156 AromaticContact CD2-CG 3.73Å; Y140-F156 HydrophobicContact CD2-CG 3.73Å; Y140-F156 HydrophobicContact CE2-CB 4Å; Y140-F156 HydrophobicContact CG-CD1 4.28Å; Y140-F156 HydrophobicContact CG-CG 4.49Å
141	D	98.6	Very high	98.1	Very high	104 Å²	104	60.6 Å²	60.6	56%	0.556	31%	0.309	S	S	*	.	H	α-helix	trans	-58.4	-40.5	-178.8	-71.9	-20.8	0	0	0	111.8	N137 K145	N137-D141 PolarHBondContact O-N 3.46Å; D141-K145 WeakPolarHBondContact O-CB 3.39Å; D141-K145 PolarHBondContact O-N 3.11Å
142	F	98.8	Very high	98	Very high	19 Å²	19	67 Å²	67	8%	0.083	34%	0.336	C	S	.	.	H	α-helix	trans	-65	-46.8	177.9	-174.6	-95.8	0	0	0	112.1	E36 L37 F40 M138 T139 Y140 K145 K146 V257 L261	E36-F142 HydrophobicContact CG-CE2 4.39Å; E36-F142 HydrophobicContact CG-CZ 4.5Å; L37-F142 HydrophobicContact CD2-CE1 3.91Å; L37-F142 HydrophobicContact CD2-CZ 3.74Å; F40-F142 HydrophobicContact CB-CD2 4.3Å; F40-F142 HydrophobicContact CB-CE2 4Å; F40-F142 HydrophobicContact CB-CZ 4.46Å; F40-F142 HydrophobicContact CD1-CD1 4.16Å; F40-F142 HydrophobicContact CD1-CD2 4.17Å; F40-F142 HydrophobicContact CD1-CE1 4.31Å; F40-F142 HydrophobicContact CD1-CE2 4.32Å; F40-F142 HydrophobicContact CD1-CG 4.08Å; F40-F142 HydrophobicContact CD1-CZ 4.39Å; F40-F142 HydrophobicContact CD2-CB 4.13Å; F40-F142 AromaticContact CD2-CD2 3.52Å; F40-F142 HydrophobicContact CD2-CD2 3.52Å; F40-F142 HydrophobicContact CD2-CE2 4.1Å; F40-F142 AromaticContact CD2-CG 3.9Å; F40-F142 HydrophobicContact CD2-CG 3.9Å; F40-F142 HydrophobicContact CE1-CB 4.17Å; F40-F142 HydrophobicContact CE1-CD1 4.06Å; F40-F142 HydrophobicContact CE1-CD2 4.46Å; F40-F142 AromaticContact CE1-CG 3.97Å; F40-F142 HydrophobicContact CE1-CG 3.97Å; F40-F142 HydrophobicContact CE2-CB 3.53Å; F40-F142 AromaticContact CE2-CD2 3.86Å; F40-F142 HydrophobicContact CE2-CD2 3.86Å; F40-F142 AromaticContact CE2-CG 3.78Å; F40-F142 HydrophobicContact CE2-CG 3.78Å; F40-F142 AromaticContact CG-CD2 3.7Å; F40-F142 HydrophobicContact CG-CD2 3.7Å; F40-F142 AromaticContact CG-CE2 3.85Å; F40-F142 HydrophobicContact CG-CE2 3.85Å; F40-F142 HydrophobicContact CG-CG 4.06Å; F40-F142 HydrophobicContact CG-CZ 4.33Å; F40-F142 HydrophobicContact CZ-CB 3.56Å; F40-F142 HydrophobicContact CZ-CD1 4.32Å; F40-F142 HydrophobicContact CZ-CD2 4.32Å; F40-F142 AromaticContact CZ-CG 3.82Å; F40-F142 HydrophobicContact CZ-CG 3.82Å; M138-F142 WeakPolarHBondContact O-CB 2.93Å; M138-F142 PolarHBondContact O-N 3.34Å; T139-F142 PolarHBondContact O-N 3.42Å; Y140-F142 VanDerWaalsContact C-N 3.26Å; Y140-F142 PolarHBondContact O-N 3.24Å; F142-K145 WeakPolarHBondContact O-CB 3.32Å; F142-K145 PolarHBondContact O-N 2.91Å; F142-K146 HydrophobicContact CD1-CG 4.12Å; F142-K146 HydrophobicContact CE1-CG 3.79Å; F142-K146 HydrophobicContact CZ-CD 4.37Å; F142-K146 HydrophobicContact CZ-CG 4.06Å; F142-K146 WeakPolarHBondContact O-CB 2.95Å; F142-K146 VanDerWaalsContact O-CG 3.26Å; F142-K146 WeakPolarHBondContact O-CG 3.4Å; F142-K146 PolarHBondContact O-N 3.45Å; F142-V257 HydrophobicContact CD1-CG1 3.87Å; F142-V257 HydrophobicContact CD1-CG2 4.23Å; F142-V257 HydrophobicContact CE1-CG1 3.55Å; F142-L261 HydrophobicContact CE1-CD1 4.02Å; F142-L261 HydrophobicContact CZ-CD1 4.47Å
143	L	98.6	Very high	98	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-69.2	-33.3	180	-70.6	174.2	0	0	0	112.7	T139 Y140 K146 Q147 K148 I149 F156 T256 V257 A260	T139-L143 HydrophobicContact CG2-CD1 4.01Å; T139-L143 WeakPolarHBondContact O-CG 3Å; T139-L143 PolarHBondContact O-N 2.72Å; Y140-L143 PolarHBondContact O-N 2.95Å; L143-K146 CarbonylContact O-C 3.44Å; L143-K146 PolarHBondContact O-N 2.68Å; L143-Q147 PolarHBondContact O-N 3.11Å; L143-Q147 VanDerWaalsContact O-N 3.12Å; L143-K148 HydrophobicContact CB-CB 4.44Å; L143-K148 HydrophobicContact CD2-CB 4.02Å; L143-K148 HydrophobicContact CD2-CG 4.4Å; L143-K148 PolarHBondContact O-N 3.24Å; L143-I149 HydrophobicContact CB-CD1 3.62Å; L143-I149 HydrophobicContact CB-CG1 3.65Å; L143-I149 HydrophobicContact CB-CG2 4.38Å; L143-I149 HydrophobicContact CD1-CD1 4.31Å; L143-I149 PolarHBondContact O-N 3.11Å; L143-F156 HydrophobicContact CD1-CE2 3.86Å; L143-F156 HydrophobicContact CD1-CZ 4.4Å; L143-T256 HydrophobicContact CD1-CG2 3.98Å; L143-V257 HydrophobicContact CD1-CG2 4.4Å; L143-V257 HydrophobicContact CD2-CG2 4.1Å; L143-V257 HydrophobicContact CG-CG2 4.15Å; L143-A260 HydrophobicContact CD2-CB 3.83Å
144	V	98.4	Very high	97.9	Very high	57 Å²	57	64.3 Å²	64.3	35%	0.345	34%	0.337	S	S	.	.	H	α-helix	trans	-62.6	-48.5	170.3	170.5	0	0	0	0	110.2	Y140 K146 Q147 I149	Y140-V144 HydrophobicContact CD1-CG2 4.46Å; Y140-V144 HydrophobicContact CD2-CG2 4.14Å; Y140-V144 HydrophobicContact CE1-CG2 4.07Å; Y140-V144 HydrophobicContact CE2-CG2 3.73Å; Y140-V144 HydrophobicContact CG-CG2 4.5Å; Y140-V144 WeakPolarHBondContact O-CG2 3.25Å; Y140-V144 PolarHBondContact O-N 2.96Å; V144-K146 PolarHBondContact O-N 3.45Å; V144-Q147 WeakPolarHBondContact O-CA 3.44Å; V144-Q147 PolarHBondContact O-N 3.29Å; V144-I149 HydrophobicContact CG2-CD1 4.12Å; V144-I149 HydrophobicContact CG2-CG1 3.75Å
145	K	98.3	Very high	97.8	Very high	155 Å²	155	61.9 Å²	61.9	67%	0.674	33%	0.329	S	S	*	.	H	α-helix	trans	-59.2	-34.9	176.4	-177	-176.7	177.3	-171.4	0	112.1	D141 F142 Q147	D141-K145 WeakPolarHBondContact O-CB 3.39Å; D141-K145 PolarHBondContact O-N 3.11Å; F142-K145 WeakPolarHBondContact O-CB 3.32Å; F142-K145 PolarHBondContact O-N 2.91Å; K145-Q147 PolarHBondContact O-N 3.21Å
146	K	98.1	Very high	97.8	Very high	61 Å²	61	61.9 Å²	61.9	27%	0.265	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.1	0.6	175.4	-66.4	-70.5	166.5	-172.5	0	114.1	E36 F142 L143 V144 K148 L261	E36-K146 WeakPolarHBondContact OE1-CE 3.32Å; E36-K146 IonicContact OE1-NZ 2.65Å; E36-K146 PolarHBondContact OE1-NZ 3.16Å; E36-K146 WeakPolarHBondContact OE2-CE 3.41Å; E36-K146 IonicContact OE2-NZ 2.61Å; E36-K146 PolarHBondContact OE2-NZ 3.48Å; F142-K146 HydrophobicContact CD1-CG 4.12Å; F142-K146 HydrophobicContact CE1-CG 3.79Å; F142-K146 HydrophobicContact CZ-CD 4.37Å; F142-K146 HydrophobicContact CZ-CG 4.06Å; F142-K146 WeakPolarHBondContact O-CB 2.95Å; F142-K146 VanDerWaalsContact O-CG 3.26Å; F142-K146 WeakPolarHBondContact O-CG 3.4Å; F142-K146 PolarHBondContact O-N 3.45Å; L143-K146 CarbonylContact O-C 3.44Å; L143-K146 PolarHBondContact O-N 2.68Å; V144-K146 PolarHBondContact O-N 3.45Å; K146-K148 HydrophobicContact CB-CG 4.01Å; K146-K148 PolarHBondContact O-N 3.4Å; K146-L261 HydrophobicContact CB-CD2 4.08Å; K146-L261 HydrophobicContact CD-CD2 4.32Å; K146-L261 HydrophobicContact CG-CD2 4.19Å
147	Q	97.6	Very high	97.8	Very high	177 Å²	177	62.1 Å²	62.1	83%	0.827	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.6	30.5	-178.6	-53.6	175.1	32.2	0	0	112.6	L143 V144 K145	L143-Q147 PolarHBondContact O-N 3.11Å; L143-Q147 VanDerWaalsContact O-N 3.12Å; V144-Q147 WeakPolarHBondContact O-CA 3.44Å; V144-Q147 PolarHBondContact O-N 3.29Å; K145-Q147 PolarHBondContact O-N 3.21Å
148	K	96.8	Very high	97.8	Very high	103 Å²	103	67.3 Å²	67.3	45%	0.448	35%	0.346	S	S	.	.	S	Bend	trans	-92.3	-26.1	177.6	-66.4	-63.6	177.6	154.2	0	112.5	L143 K146 A260 L261	L143-K148 HydrophobicContact CB-CB 4.44Å; L143-K148 HydrophobicContact CD2-CB 4.02Å; L143-K148 HydrophobicContact CD2-CG 4.4Å; L143-K148 PolarHBondContact O-N 3.24Å; K146-K148 HydrophobicContact CB-CG 4.01Å; K146-K148 PolarHBondContact O-N 3.4Å; K148-A260 HydrophobicContact CB-CB 4.41Å; K148-A260 WeakPolarHBondContact CD-O 3.41Å; K148-A260 VanDerWaalsContact CE-O 3.22Å; K148-A260 WeakPolarHBondContact CE-O 3.5Å; K148-A260 HydrophobicContact CG-CB 4.41Å; K148-A260 PolarHBondContact NZ-O 2.74Å; K148-L261 HydrophobicContact CD-CD2 4.33Å; K148-L261 HydrophobicContact CG-CD2 3.86Å
149	I	96.2	Very high	97.8	Very high	17 Å²	17	68.3 Å²	68.3	9%	0.087	35%	0.35	C	S	.	.			trans	-133.6	162.1	171.7	67.3	179.7	0	0	0	109.3	Y140 L143 V144 F156 F159	Y140-I149 HydrophobicContact CD2-CD1 3.56Å; Y140-I149 HydrophobicContact CE2-CD1 4.06Å; Y140-I149 HydrophobicContact CG-CD1 4.44Å; L143-I149 HydrophobicContact CB-CD1 3.62Å; L143-I149 HydrophobicContact CB-CG1 3.65Å; L143-I149 HydrophobicContact CB-CG2 4.38Å; L143-I149 HydrophobicContact CD1-CD1 4.31Å; L143-I149 PolarHBondContact O-N 3.11Å; V144-I149 HydrophobicContact CG2-CD1 4.12Å; V144-I149 HydrophobicContact CG2-CG1 3.75Å; I149-F156 HydrophobicContact CD1-CB 4.2Å; I149-F156 HydrophobicContact CD1-CD2 3.37Å; I149-F156 HydrophobicContact CD1-CE2 3.92Å; I149-F156 HydrophobicContact CD1-CG 3.91Å; I149-F159 HydrophobicContact CG2-CD1 4Å; I149-F159 HydrophobicContact CG2-CD2 4.23Å; I149-F159 HydrophobicContact CG2-CE1 4.12Å; I149-F159 HydrophobicContact CG2-CE2 4.34Å; I149-F159 HydrophobicContact CG2-CG 4.05Å; I149-F159 HydrophobicContact CG2-CZ 4.29Å
150	S	95.7	Very high	97.8	Very high	100 Å²	100	68.3 Å²	68.3	70%	0.699	35%	0.35	S	S	*	.			trans	-146.3	171.7	174.1	65.2	0	0	0	0	109.4
151	G	96.3	Very high	97.7	Very high	48 Å²	48	68.8 Å²	68.8	50%	0.495	35%	0.352	S	S	.	.	S	Bend	trans	98.7	-144	180	0	0	0	0	0	112.7	Y140 D155	Y140-G151 PolarHBondContact OH-O 3.49Å; G151-D155 WeakPolarHBondContact CA-OD2 3.43Å
152	K	97.1	Very high	97.7	Very high	163 Å²	163	67.4 Å²	67.4	71%	0.709	35%	0.345	S	S	*	.			trans	-112.7	172.7	-178.5	-61.6	178.7	-178.1	177.1	0	110.5	G154 D155 F156	K152-G154 PolarHBondContact O-N 3.16Å; K152-G154 VanDerWaalsContact O-N 3.09Å; K152-D155 PolarHBondContact N-OD2 3.2Å; K152-D155 WeakPolarHBondContact O-CA 3.45Å; K152-D155 VanDerWaalsContact O-CB 3.3Å; K152-D155 WeakPolarHBondContact O-CB 3.32Å; K152-D155 PolarHBondContact O-N 2.99Å; K152-F156 PolarHBondContact O-N 3.04Å
153	M	97	Very high	97.6	Very high	50 Å²	50	67.1 Å²	67.1	25%	0.246	34%	0.344	C	S	.	.	H	α-helix	trans	-53.3	-34	177.3	-166	60.9	65.6	0	0	113.6	L131 N137 Y140 D155 F156 G157	L131-M153 HydrophobicContact CD2-CG 4.13Å; L131-M153 HydrophobicContact CD2-SD 3.87Å; N137-M153 WeakPolarHBondContact OD1-CE 3.28Å; Y140-M153 HydrophobicContact CD1-CE 3.53Å; Y140-M153 HydrophobicContact CD1-SD 4.48Å; Y140-M153 HydrophobicContact CD2-CE 4.28Å; Y140-M153 HydrophobicContact CD2-SD 4.21Å; Y140-M153 HydrophobicContact CE1-CE 4.17Å; Y140-M153 HydrophobicContact CG-CE 3.59Å; Y140-M153 HydrophobicContact CG-SD 3.97Å; M153-D155 PolarHBondContact O-N 3.14Å; M153-F156 WeakPolarHBondContact O-CB 3.44Å; M153-F156 PolarHBondContact O-N 3Å; M153-F156 HydrophobicContact SD-CD1 3.82Å; M153-G157 PolarHBondContact O-N 2.58Å
154	G	97.2	Very high	97.6	Very high	46 Å²	46	67.1 Å²	67.1	47%	0.474	34%	0.344	S	S	.	.	H	α-helix	trans	-67	-32	174.4	0	0	0	0	0	114.1	K152 F156 G157 R158	K152-G154 PolarHBondContact O-N 3.16Å; K152-G154 VanDerWaalsContact O-N 3.09Å; G154-F156 VanDerWaalsContact C-N 3.33Å; G154-G157 PolarHBondContact O-N 2.63Å; G154-R158 PolarHBondContact O-N 3.1Å; G154-R158 VanDerWaalsContact O-N 3.16Å
155	D	97.7	Very high	97.6	Very high	57 Å²	57	64.8 Å²	64.8	31%	0.305	33%	0.329	S	S	.	.	H	α-helix	trans	-67.6	-38.1	171.9	-61.2	-62.7	0	0	0	110.8	G151 K152 M153 R158 F159	G151-D155 WeakPolarHBondContact CA-OD2 3.43Å; K152-D155 PolarHBondContact N-OD2 3.2Å; K152-D155 WeakPolarHBondContact O-CA 3.45Å; K152-D155 VanDerWaalsContact O-CB 3.3Å; K152-D155 WeakPolarHBondContact O-CB 3.32Å; K152-D155 PolarHBondContact O-N 2.99Å; M153-D155 PolarHBondContact O-N 3.14Å; D155-R158 PolarHBondContact O-N 3.35Å; D155-R158 IonicContact OD1-CZ 3.86Å; D155-R158 IonicContact OD1-NE 3.25Å; D155-R158 IonicContact OD1-NH2 3.62Å; D155-R158 PolarHBondContact OD1-NH2 3.34Å; D155-F159 PolarHBondContact O-N 3.15Å
156	F	98.4	Very high	97.5	Very high	2 Å²	2	61.7 Å²	61.7	1%	0.009	32%	0.316	C	S	.	.	H	α-helix	trans	-65.2	-39.9	174.1	-179.3	-128.8	0	0	0	112.6	L131 M136 T139 Y140 L143 I149 K152 M153 G154 R158 F159 L160	L131-F156 HydrophobicContact CD2-CD1 3.77Å; L131-F156 HydrophobicContact CD2-CE1 4.28Å; M136-F156 HydrophobicContact SD-CE1 4.25Å; M136-F156 HydrophobicContact SD-CZ 4.38Å; T139-F156 HydrophobicContact CG2-CZ 3.88Å; Y140-F156 HydrophobicContact CD2-CB 3.54Å; Y140-F156 AromaticContact CD2-CD1 3.93Å; Y140-F156 HydrophobicContact CD2-CD1 3.93Å; Y140-F156 HydrophobicContact CD2-CD2 4.45Å; Y140-F156 AromaticContact CD2-CG 3.73Å; Y140-F156 HydrophobicContact CD2-CG 3.73Å; Y140-F156 HydrophobicContact CE2-CB 4Å; Y140-F156 HydrophobicContact CG-CD1 4.28Å; Y140-F156 HydrophobicContact CG-CG 4.49Å; L143-F156 HydrophobicContact CD1-CE2 3.86Å; L143-F156 HydrophobicContact CD1-CZ 4.4Å; I149-F156 HydrophobicContact CD1-CB 4.2Å; I149-F156 HydrophobicContact CD1-CD2 3.37Å; I149-F156 HydrophobicContact CD1-CE2 3.92Å; I149-F156 HydrophobicContact CD1-CG 3.91Å; K152-F156 PolarHBondContact O-N 3.04Å; M153-F156 WeakPolarHBondContact O-CB 3.44Å; M153-F156 PolarHBondContact O-N 3Å; M153-F156 HydrophobicContact SD-CD1 3.82Å; G154-F156 VanDerWaalsContact C-N 3.33Å; F156-R158 VanDerWaalsContact C-N 3.33Å; F156-R158 PolarHBondContact O-N 2.94Å; F156-F159 AromaticContact CD2-CD1 3.84Å; F156-F159 HydrophobicContact CD2-CD1 3.84Å; F156-F159 AromaticContact CE2-CD1 3.89Å; F156-F159 HydrophobicContact CE2-CD1 3.89Å; F156-F159 HydrophobicContact CE2-CE1 4.26Å; F156-F159 WeakPolarHBondContact O-CB 3.42Å; F156-F159 PolarHBondContact O-N 3.19Å; F156-L160 HydrophobicContact CD1-CD1 4.19Å; F156-L160 HydrophobicContact CD2-CG 4.22Å; F156-L160 HydrophobicContact CE1-CD1 3.75Å; F156-L160 HydrophobicContact CE1-CG 4.31Å; F156-L160 HydrophobicContact CE2-CD1 4.18Å; F156-L160 HydrophobicContact CE2-CD2 3.9Å; F156-L160 HydrophobicContact CE2-CG 3.82Å; F156-L160 HydrophobicContact CZ-CD1 3.74Å; F156-L160 HydrophobicContact CZ-CD2 3.9Å; F156-L160 HydrophobicContact CZ-CG 3.87Å; F156-L160 WeakPolarHBondContact O-CG 3.17Å; F156-L160 PolarHBondContact O-N 3.19Å
157	G	98.6	Very high	97.3	Very high	5 Å²	5	60.8 Å²	60.8	5%	0.052	31%	0.311	C	S	.	.	H	α-helix	trans	-56.9	-44.9	171.2	0	0	0	0	0	112.9	M153 G154 L160 K161	M153-G157 PolarHBondContact O-N 2.58Å; G154-G157 PolarHBondContact O-N 2.63Å; G157-L160 PolarHBondContact O-N 3.26Å; G157-K161 PolarHBondContact O-N 2.76Å
158	R	98.1	Very high	97.2	Very high	171 Å²	171	52.7 Å²	52.7	65%	0.645	27%	0.273	S	S	*	.	H	α-helix	trans	-64	-40.9	175.1	-71.6	-171.2	-75.4	-134.4	4	112.6	G154 D155 F156 K161 D162	G154-R158 PolarHBondContact O-N 3.1Å; G154-R158 VanDerWaalsContact O-N 3.16Å; D155-R158 PolarHBondContact O-N 3.35Å; D155-R158 IonicContact OD1-CZ 3.86Å; D155-R158 IonicContact OD1-NE 3.25Å; D155-R158 IonicContact OD1-NH2 3.62Å; D155-R158 PolarHBondContact OD1-NH2 3.34Å; F156-R158 VanDerWaalsContact C-N 3.33Å; F156-R158 PolarHBondContact O-N 2.94Å; R158-K161 PolarHBondContact O-N 3.36Å; R158-D162 PolarHBondContact O-N 3.17Å
159	F	98	Very high	96.9	Very high	67 Å²	67	54.1 Å²	54.1	29%	0.294	28%	0.279	S	S	.	.	H	α-helix	trans	-60.5	-47.4	174.7	165.9	-95.9	0	0	0	111.6	I149 D155 F156 K161 D162 L163 T256	I149-F159 HydrophobicContact CG2-CD1 4Å; I149-F159 HydrophobicContact CG2-CD2 4.23Å; I149-F159 HydrophobicContact CG2-CE1 4.12Å; I149-F159 HydrophobicContact CG2-CE2 4.34Å; I149-F159 HydrophobicContact CG2-CG 4.05Å; I149-F159 HydrophobicContact CG2-CZ 4.29Å; D155-F159 PolarHBondContact O-N 3.15Å; F156-F159 AromaticContact CD2-CD1 3.84Å; F156-F159 HydrophobicContact CD2-CD1 3.84Å; F156-F159 AromaticContact CE2-CD1 3.89Å; F156-F159 HydrophobicContact CE2-CD1 3.89Å; F156-F159 HydrophobicContact CE2-CE1 4.26Å; F156-F159 WeakPolarHBondContact O-CB 3.42Å; F156-F159 PolarHBondContact O-N 3.19Å; F159-K161 VanDerWaalsContact C-N 3.3Å; F159-K161 PolarHBondContact O-N 3.49Å; F159-D162 PolarHBondContact O-N 2.79Å; F159-L163 HydrophobicContact CE1-CD2 4.16Å; F159-L163 HydrophobicContact CZ-CD2 4.09Å; F159-L163 WeakPolarHBondContact O-CB 3.4Å; F159-L163 PolarHBondContact O-N 3.44Å; F159-T256 HydrophobicContact CE1-CG2 3.75Å; F159-T256 HydrophobicContact CZ-CG2 4.47Å
160	L	98.6	Very high	96.6	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-60.3	-42.9	176.1	-72.5	175.4	0	0	0	111.1	I127 L131 M136 F156 G157 L163 W164 I252 T256	I127-L160 HydrophobicContact CD1-CB 3.66Å; L131-L160 HydrophobicContact CD2-CD1 4.26Å; M136-L160 HydrophobicContact SD-CD1 4.11Å; F156-L160 HydrophobicContact CD1-CD1 4.19Å; F156-L160 HydrophobicContact CD2-CG 4.22Å; F156-L160 HydrophobicContact CE1-CD1 3.75Å; F156-L160 HydrophobicContact CE1-CG 4.31Å; F156-L160 HydrophobicContact CE2-CD1 4.18Å; F156-L160 HydrophobicContact CE2-CD2 3.9Å; F156-L160 HydrophobicContact CE2-CG 3.82Å; F156-L160 HydrophobicContact CZ-CD1 3.74Å; F156-L160 HydrophobicContact CZ-CD2 3.9Å; F156-L160 HydrophobicContact CZ-CG 3.87Å; F156-L160 WeakPolarHBondContact O-CG 3.17Å; F156-L160 PolarHBondContact O-N 3.19Å; G157-L160 PolarHBondContact O-N 3.26Å; L160-L163 PolarHBondContact O-N 3.23Å; L160-W164 WeakPolarHBondContact O-CB 3.1Å; L160-W164 VanDerWaalsContact O-CD1 3.26Å; L160-W164 PolarHBondContact O-N 2.53Å; L160-I252 HydrophobicContact CD2-CG2 4.35Å; L160-T256 HydrophobicContact CD2-CG2 3.81Å
161	K	98.3	Very high	96.3	Very high	42 Å²	42	56.6 Å²	56.6	18%	0.183	27%	0.272	C	S	.	.	H	α-helix	trans	-60.9	-47.7	178.6	-167	174	-177.6	177.2	0	112.1	N120 E123 D124 I127 G157 R158 F159 F165	N120-K161 PolarHBondContact OD1-NZ 2.89Å; E123-K161 VanDerWaalsContact OE2-CE 3.22Å; E123-K161 WeakPolarHBondContact OE2-CE 3.44Å; E123-K161 IonicContact OE2-NZ 3.23Å; D124-K161 WeakPolarHBondContact OD1-CD 3.37Å; D124-K161 WeakPolarHBondContact OD1-CE 3.39Å; D124-K161 IonicContact OD1-NZ 3.38Å; D124-K161 PolarHBondContact OD1-NZ 2.93Å; D124-K161 IonicContact OD2-NZ 3.94Å; D124-K161 PolarHBondContact OD2-NZ 3.13Å; I127-K161 HydrophobicContact CD1-CB 4.49Å; I127-K161 HydrophobicContact CG1-CB 4.2Å; G157-K161 PolarHBondContact O-N 2.76Å; R158-K161 PolarHBondContact O-N 3.36Å; F159-K161 VanDerWaalsContact C-N 3.3Å; F159-K161 PolarHBondContact O-N 3.49Å; K161-F165 HydrophobicContact CG-CD2 4.09Å; K161-F165 WeakPolarHBondContact O-CB 3.35Å; K161-F165 PolarHBondContact O-N 2.72Å
162	D	97.4	Very high	95.9	Very high	76 Å²	76	56.1 Å²	56.1	41%	0.406	26%	0.261	S	S	.	.	H	α-helix	trans	-65.3	-41.9	177.3	-170.8	70.5	0	0	0	111.7	R158 F159 W164 K166	R158-D162 PolarHBondContact O-N 3.17Å; F159-D162 PolarHBondContact O-N 2.79Å; D162-W164 PolarHBondContact O-N 2.72Å; D162-K166 WeakPolarHBondContact O-CB 3.38Å; D162-K166 PolarHBondContact O-N 3.38Å; D162-K166 VanDerWaalsContact OD1-CD 3.32Å; D162-K166 WeakPolarHBondContact OD1-CD 3.24Å; D162-K166 WeakPolarHBondContact OD1-CE 3.35Å; D162-K166 IonicContact OD1-NZ 3.15Å; D162-K166 PolarHBondContact OD1-NZ 2.99Å; D162-K166 IonicContact OD2-NZ 3.02Å; D162-K166 PolarHBondContact OD2-NZ 2.7Å
163	L	98.1	Very high	95.5	Very high	12 Å²	12	52.6 Å²	52.6	6%	0.063	26%	0.255	C	S	.	.	H	α-helix	trans	-62.2	-44.5	179.1	176.7	62.1	0	0	0	112.5	F159 L160 A178 T256 F259 M288	F159-L163 HydrophobicContact CE1-CD2 4.16Å; F159-L163 HydrophobicContact CZ-CD2 4.09Å; F159-L163 WeakPolarHBondContact O-CB 3.4Å; F159-L163 PolarHBondContact O-N 3.44Å; L160-L163 PolarHBondContact O-N 3.23Å; L163-A178 WeakPolarHBondContact O-CB 3.47Å; L163-T256 HydrophobicContact CD2-CG2 3.87Å; L163-F259 HydrophobicContact CD1-CD1 3.62Å; L163-F259 HydrophobicContact CD1-CE1 3.7Å; L163-M288 HydrophobicContact CD1-CB 4.12Å; L163-M288 HydrophobicContact CD1-CE 4.45Å; L163-M288 HydrophobicContact CG-CE 4.43Å
164	W	98.4	Very high	95.2	Very high	1 Å²	1	51 Å²	51	0%	0.004	25%	0.251	C	S	.	.	H	α-helix	trans	-92.4	-39.5	-169.3	-73.1	105.5	0	0	0	113.7	L160 D162 A178 F179 V182 F183 I252 Y255 T256 M288	L160-W164 WeakPolarHBondContact O-CB 3.1Å; L160-W164 VanDerWaalsContact O-CD1 3.26Å; L160-W164 PolarHBondContact O-N 2.53Å; D162-W164 PolarHBondContact O-N 2.72Å; W164-A178 HydrophobicContact CE3-CB 4.06Å; W164-A178 HydrophobicContact CZ3-CB 4.48Å; W164-A178 PolarHBondContact O-N 3.02Å; W164-F179 HydrophobicContact CB-CB 4.43Å; W164-F179 HydrophobicContact CE3-CB 4.45Å; W164-F179 VanDerWaalsContact O-CB 3.29Å; W164-F179 WeakPolarHBondContact O-CB 3.4Å; W164-F179 PolarHBondContact O-N 3.43Å; W164-V182 HydrophobicContact CZ3-CB 4.15Å; W164-V182 HydrophobicContact CZ3-CG1 4.34Å; W164-V182 HydrophobicContact CZ3-CG2 4.22Å; W164-F183 HydrophobicContact CE3-CD2 4.41Å; W164-F183 AromaticContact CE3-CE2 3.83Å; W164-F183 HydrophobicContact CE3-CE2 3.83Å; W164-F183 AromaticContact CH2-CE2 3.71Å; W164-F183 HydrophobicContact CH2-CE2 3.71Å; W164-F183 HydrophobicContact CH2-CZ 4.11Å; W164-F183 HydrophobicContact CZ3-CD2 4.08Å; W164-F183 AromaticContact CZ3-CE2 3.33Å; W164-F183 HydrophobicContact CZ3-CE2 3.33Å; W164-F183 HydrophobicContact CZ3-CZ 4.18Å; W164-I252 HydrophobicContact CD2-CD1 3.7Å; W164-I252 HydrophobicContact CE3-CD1 4.12Å; W164-I252 HydrophobicContact CG-CD1 4.16Å; W164-I252 HydrophobicContact CH2-CD1 4.12Å; W164-I252 HydrophobicContact CZ2-CD1 3.73Å; W164-I252 HydrophobicContact CZ2-CG2 4.48Å; W164-I252 HydrophobicContact CZ3-CD1 4.32Å; W164-Y255 AromaticContact CH2-CD2 3.97Å; W164-Y255 HydrophobicContact CH2-CD2 3.97Å; W164-Y255 HydrophobicContact CH2-CG 4.26Å; W164-T256 PolarHBondContact NE1-OG1 2.78Å; W164-M288 HydrophobicContact CD2-CE 4.02Å; W164-M288 HydrophobicContact CE3-CE 3.63Å; W164-M288 HydrophobicContact CH2-CE 3.26Å; W164-M288 HydrophobicContact CH2-SD 4.45Å; W164-M288 HydrophobicContact CZ2-CE 3.65Å; W164-M288 HydrophobicContact CZ3-CE 3.23Å
165	F	97.5	Very high	94.8	Very high	7 Å²	7	48.9 Å²	48.9	3%	0.031	23%	0.229	C	C	.	.	H	α-helix	trans	-111	-11.1	-168.2	-58.5	-66.2	0	0	0	114.5	L101 Y105 E123 F126 I127 K161 R167 F179	L101-F165 HydrophobicContact CD1-CE1 3.93Å; L101-F165 HydrophobicContact CD1-CZ 3.82Å; L101-F165 HydrophobicContact CD2-CE1 4.39Å; Y105-F165 WeakPolarHBondContact OH-CD1 3.23Å; E123-F165 HydrophobicContact CB-CD2 4.13Å; E123-F165 HydrophobicContact CB-CE2 4.36Å; E123-F165 HydrophobicContact CB-CG 4.26Å; E123-F165 HydrophobicContact CG-CB 4.19Å; E123-F165 HydrophobicContact CG-CD1 3.77Å; E123-F165 HydrophobicContact CG-CD2 4.14Å; E123-F165 HydrophobicContact CG-CE1 4.17Å; E123-F165 HydrophobicContact CG-CG 3.76Å; F126-F165 HydrophobicContact CD1-CE2 4.24Å; F126-F165 AromaticContact CD1-CZ 3.75Å; F126-F165 HydrophobicContact CD1-CZ 3.75Å; F126-F165 HydrophobicContact CE1-CZ 4.23Å; I127-F165 HydrophobicContact CD1-CD2 4.5Å; I127-F165 HydrophobicContact CD1-CE2 3.88Å; I127-F165 HydrophobicContact CG1-CE2 4.03Å; K161-F165 HydrophobicContact CG-CD2 4.09Å; K161-F165 WeakPolarHBondContact O-CB 3.35Å; K161-F165 PolarHBondContact O-N 2.72Å; F165-R167 WeakPolarHBondContact O-CD 3.32Å; F165-R167 PolarHBondContact O-N 3.43Å; F165-R167 PolarHBondContact O-NE 3.13Å; F165-F179 HydrophobicContact CD1-CB 3.86Å; F165-F179 HydrophobicContact CD1-CD2 4.45Å; F165-F179 HydrophobicContact CD1-CG 4.07Å; F165-F179 HydrophobicContact CE1-CB 3.7Å; F165-F179 AromaticContact CE1-CD1 4Å; F165-F179 HydrophobicContact CE1-CD1 4Å; F165-F179 AromaticContact CE1-CD2 3.47Å; F165-F179 HydrophobicContact CE1-CD2 3.47Å; F165-F179 VanDerWaalsContact CE1-CD2 3.47Å; F165-F179 HydrophobicContact CE1-CE2 4.05Å; F165-F179 AromaticContact CE1-CG 3.43Å; F165-F179 HydrophobicContact CE1-CG 3.43Å; F165-F179 VanDerWaalsContact CE1-CG 3.43Å; F165-F179 AromaticContact CZ-CD2 3.79Å; F165-F179 HydrophobicContact CZ-CD2 3.79Å; F165-F179 HydrophobicContact CZ-CE2 4.21Å; F165-F179 HydrophobicContact CZ-CG 4.23Å
166	K	95.6	Very high	94.7	Very high	90 Å²	90	46.2 Å²	46.2	39%	0.391	22%	0.215	S	C	.	.			trans	-59.9	125.9	174.6	-174.2	-165.8	-148.8	137.2	0	109.7	D162	D162-K166 WeakPolarHBondContact O-CB 3.38Å; D162-K166 PolarHBondContact O-N 3.38Å; D162-K166 VanDerWaalsContact OD1-CD 3.32Å; D162-K166 WeakPolarHBondContact OD1-CD 3.24Å; D162-K166 WeakPolarHBondContact OD1-CE 3.35Å; D162-K166 IonicContact OD1-NZ 3.15Å; D162-K166 PolarHBondContact OD1-NZ 2.99Å; D162-K166 IonicContact OD2-NZ 3.02Å; D162-K166 PolarHBondContact OD2-NZ 2.7Å
167	R	95	Very high	94.6	Very high	42 Å²	42	46.1 Å²	46.1	16%	0.158	21%	0.214	C	C	.	.			trans	-77.2	129.6	177.6	-52	-45.2	-174.7	114.7	14.6	109.9	Y105 E113 V115 F165 S176 E180	Y105-R167 VanDerWaalsContact CD1-NH1 3.3Å; Y105-R167 VanDerWaalsContact CE1-CZ 3.43Å; E113-R167 IonicContact OE1-NH1 3.98Å; E113-R167 IonicContact OE2-CZ 2.9Å; E113-R167 IonicContact OE2-NH1 3.5Å; E113-R167 PolarHBondContact OE2-NH1 3.45Å; E113-R167 IonicContact OE2-NH2 2.68Å; E113-R167 PolarHBondContact OE2-NH2 3.23Å; V115-R167 HydrophobicContact CG2-CG 4.28Å; F165-R167 WeakPolarHBondContact O-CD 3.32Å; F165-R167 PolarHBondContact O-N 3.43Å; F165-R167 PolarHBondContact O-NE 3.13Å; R167-S176 VanDerWaalsContact CA-O 3.29Å; R167-S176 WeakPolarHBondContact CA-O 3.47Å; R167-E180 IonicContact NH1-OE2 2.69Å; R167-E180 PolarHBondContact NH1-OE2 3.17Å
168	Y	94.1	Very high	94.6	Very high	7 Å²	7	45.9 Å²	45.9	3%	0.027	21%	0.212	C	C	.	.	B	Isolated β-bridge	trans	-125.7	-179.3	178.2	53.9	-124.6	0	0	0	110.6	R170 G174 D175 S176 S177 A178 L283 E287 M288	Y168-R170 PolarHBondContact OH-NH2 3.44Å; Y168-G174 CarbonylContact O-C 3.59Å; Y168-G174 VanDerWaalsContact O-CA 3.32Å; Y168-G174 WeakPolarHBondContact O-CA 3.33Å; Y168-G174 PolarHBondContact O-N 2.89Å; Y168-D175 PolarHBondContact O-N 3.3Å; Y168-D175 VanDerWaalsContact O-N 3.13Å; Y168-S176 WeakPolarHBondContact CE2-OG 3.29Å; Y168-S176 PolarHBondContact N-O 3.37Å; Y168-S177 VanDerWaalsContact CZ-C 3.5Å; Y168-S177 PolarHBondContact OH-O 2.87Å; Y168-A178 HydrophobicContact CE1-CB 4.33Å; Y168-A178 PolarHBondContact OH-N 3.32Å; Y168-L283 HydrophobicContact CD2-CD1 3.58Å; Y168-L283 HydrophobicContact CE1-CD1 4.37Å; Y168-L283 HydrophobicContact CE2-CD1 3.2Å; Y168-L283 HydrophobicContact CG-CD1 4.33Å; Y168-E287 VanDerWaalsContact CB-CD 3.44Å; Y168-E287 VanDerWaalsContact CB-OE1 3.25Å; Y168-E287 WeakPolarHBondContact CB-OE1 3.42Å; Y168-E287 HydrophobicContact CD1-CB 3.97Å; Y168-E287 HydrophobicContact CD1-CG 4.06Å; Y168-E287 HydrophobicContact CE1-CB 4.43Å; Y168-E287 HydrophobicContact CG-CG 4.46Å; Y168-M288 WeakPolarHBondContact CE1-O 3.04Å; Y168-M288 PolarHBondContact OH-O 2.67Å
169	K	91.9	Very high	94.6	Very high	133 Å²	133	37.7 Å²	37.7	58%	0.578	18%	0.181	S	C	*	.			trans	-98.2	113.6	178.1	177.3	176.5	-179.7	-175	0	111.2	R171 S172	K169-R171 WeakPolarHBondContact CE-O 3.42Å; K169-S172 WeakPolarHBondContact CA-O 3.31Å; K169-S172 WeakPolarHBondContact CG-O 3.21Å
170	R	90.2	Very high	94.6	Very high	52 Å²	52	34.5 Å²	34.5	20%	0.196	17%	0.167	C	C	.	.	S	Bend	trans	-97.7	-38.6	163.5	-171.6	169.6	-70.3	-91.2	1.1	111.6	Y168 D175 S176 E186 G289	Y168-R170 PolarHBondContact OH-NH2 3.44Å; R170-D175 PolarHBondContact N-OD1 3.07Å; R170-S176 PolarHBondContact NE-OG 2.92Å; R170-E186 IonicContact CZ-OE2 2.57Å; R170-E186 IonicContact NE-OE1 2.85Å; R170-E186 IonicContact NE-OE2 3.84Å; R170-E186 PolarHBondContact NE-OE2 2.79Å; R170-G289 PolarHBondContact NH2-O 3.3Å
171	R	89.1	Confident	94.5	Very high	118 Å²	118	35.2 Å²	35.2	45%	0.445	17%	0.17	S	C	.	.	S	Bend	trans	-132.3	-51.3	169.7	-67.1	-58.8	-143.2	171.4	12.7	112.3	V109 K169 D175 K188	V109-R171 HydrophobicContact CB-CG 4.16Å; V109-R171 HydrophobicContact CG2-CG 3.66Å; K169-R171 WeakPolarHBondContact CE-O 3.42Å; R171-D175 VanDerWaalsContact CA-OD2 3.29Å; R171-D175 WeakPolarHBondContact CA-OD2 3.43Å; R171-D175 VanDerWaalsContact CB-OD2 3.24Å; R171-D175 WeakPolarHBondContact CB-OD2 3.36Å; R171-D175 PolarHBondContact N-OD1 3.06Å; R171-D175 PolarHBondContact N-OD2 3.4Å; R171-K188 VanDerWaalsContact NE-CE 3.33Å
172	S	87.8	Confident	94.5	Very high	37 Å²	37	33.2 Å²	33.2	26%	0.259	16%	0.161	S	C	.	.	S	Bend	trans	-112.6	156.1	176.1	-64.6	0	0	0	0	110	G110 K169 G174 D175	G110-S172 WeakPolarHBondContact CA-OG 3.06Å; G110-S172 VanDerWaalsContact O-CB 3.24Å; G110-S172 WeakPolarHBondContact O-CB 3.48Å; G110-S172 PolarHBondContact O-OG 2.81Å; K169-S172 WeakPolarHBondContact CA-O 3.31Å; K169-S172 WeakPolarHBondContact CG-O 3.21Å; S172-G174 PolarHBondContact O-N 3.36Å; S172-D175 PolarHBondContact N-OD2 2.93Å; S172-D175 WeakPolarHBondContact O-CB 3.41Å; S172-D175 PolarHBondContact O-N 3.45Å
173	P	88.9	Confident	94.5	Very high	90 Å²	90	29.6 Å²	29.6	58%	0.584	14%	0.142	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.5	129.6	175.7	-23.9	34.8	0	0	0	111.6	T112 D175	T112-P173 WeakPolarHBondContact CB-O 3.44Å; T112-P173 VanDerWaalsContact CG2-O 3.24Å; T112-P173 WeakPolarHBondContact CG2-O 3.29Å; T112-P173 PolarHBondContact OG1-O 3.2Å; P173-D175 VanDerWaalsContact C-N 3.34Å; P173-D175 PolarHBondContact O-N 3.32Å
174	G	89.2	Confident	94.5	Very high	17 Å²	17	29.5 Å²	29.5	18%	0.175	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.8	33.7	174.6	0	0	0	0	0	114.3	E113 Y168 S172	E113-G174 PolarHBondContact N-O 3.43Å; Y168-G174 CarbonylContact O-C 3.59Å; Y168-G174 VanDerWaalsContact O-CA 3.32Å; Y168-G174 WeakPolarHBondContact O-CA 3.33Å; Y168-G174 PolarHBondContact O-N 2.89Å; S172-G174 PolarHBondContact O-N 3.36Å
175	D	90.6	Very high	94.3	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.005	14%	0.144	C	C	.	.			trans	-102	7.2	-175.8	75	-30.3	0	0	0	114.2	G110 V111 Y168 R170 R171 S172 P173	G110-D175 VanDerWaalsContact CA-OD2 3.26Å; G110-D175 WeakPolarHBondContact CA-OD2 3.5Å; G110-D175 PolarHBondContact N-OD2 2.99Å; V111-D175 WeakPolarHBondContact O-CA 3.2Å; V111-D175 WeakPolarHBondContact O-CB 3.16Å; Y168-D175 PolarHBondContact O-N 3.3Å; Y168-D175 VanDerWaalsContact O-N 3.13Å; R170-D175 PolarHBondContact N-OD1 3.07Å; R171-D175 VanDerWaalsContact CA-OD2 3.29Å; R171-D175 WeakPolarHBondContact CA-OD2 3.43Å; R171-D175 VanDerWaalsContact CB-OD2 3.24Å; R171-D175 WeakPolarHBondContact CB-OD2 3.36Å; R171-D175 PolarHBondContact N-OD1 3.06Å; R171-D175 PolarHBondContact N-OD2 3.4Å; S172-D175 PolarHBondContact N-OD2 2.93Å; S172-D175 WeakPolarHBondContact O-CB 3.41Å; S172-D175 PolarHBondContact O-N 3.45Å; P173-D175 VanDerWaalsContact C-N 3.34Å; P173-D175 PolarHBondContact O-N 3.32Å
176	S	94.9	Very high	94.2	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	14%	0.143	C	C	.	.	B	Isolated β-bridge	trans	-162.5	160.1	-173.8	-172.9	0	0	0	0	109.9	R167 Y168 R170 E180 E186	R167-S176 VanDerWaalsContact CA-O 3.29Å; R167-S176 WeakPolarHBondContact CA-O 3.47Å; Y168-S176 WeakPolarHBondContact CE2-OG 3.29Å; Y168-S176 PolarHBondContact N-O 3.37Å; R170-S176 PolarHBondContact NE-OG 2.92Å; S176-E180 VanDerWaalsContact CA-OE2 3.32Å; S176-E180 WeakPolarHBondContact CA-OE2 3.48Å; S176-E186 WeakPolarHBondContact CB-OE1 3.32Å; S176-E186 PolarHBondContact OG-OE1 2.99Å
177	S	96.6	Very high	94	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.127	C	C	.	.			trans	-143.4	166.6	166.8	65.6	0	0	0	0	110.6	Y168 F179 E180 H181	Y168-S177 VanDerWaalsContact CZ-C 3.5Å; Y168-S177 PolarHBondContact OH-O 2.87Å; S177-F179 VanDerWaalsContact C-N 3.3Å; S177-F179 PolarHBondContact O-N 3.41Å; S177-E180 PolarHBondContact N-OE2 3.49Å; S177-E180 PolarHBondContact O-N 2.83Å; S177-E180 WeakPolarHBondContact OG-CB 3.48Å; S177-E180 PolarHBondContact OG-N 2.59Å; S177-E180 VanDerWaalsContact OG-N 3.13Å; S177-H181 WeakPolarHBondContact O-CB 3.22Å; S177-H181 PolarHBondContact O-N 2.99Å
178	A	97.7	Very high	93.7	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-64.2	-38.4	176.9	0	0	0	0	0	111.6	L163 W164 Y168 V182 M288	L163-A178 WeakPolarHBondContact O-CB 3.47Å; W164-A178 HydrophobicContact CE3-CB 4.06Å; W164-A178 HydrophobicContact CZ3-CB 4.48Å; W164-A178 PolarHBondContact O-N 3.02Å; Y168-A178 HydrophobicContact CE1-CB 4.33Å; Y168-A178 PolarHBondContact OH-N 3.32Å; A178-V182 VanDerWaalsContact O-CB 3.29Å; A178-V182 WeakPolarHBondContact O-CB 2.91Å; A178-V182 VanDerWaalsContact O-CG2 3.28Å; A178-V182 WeakPolarHBondContact O-CG2 2.99Å; A178-V182 PolarHBondContact O-N 2.77Å; A178-M288 HydrophobicContact CB-CB 3.96Å; A178-M288 HydrophobicContact CB-CE 3.7Å; A178-M288 HydrophobicContact CB-CG 4.39Å; A178-M288 WeakPolarHBondContact CB-O 3.43Å
179	F	98.4	Very high	93.4	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-63.1	-49.8	176.5	-176.9	-85.8	0	0	0	111.2	F98 L101 L102 Y105 F126 W164 F165 S177 H181 V182 F183 V184	F98-F179 AromaticContact CD2-CE2 3.78Å; F98-F179 HydrophobicContact CD2-CE2 3.78Å; F98-F179 AromaticContact CD2-CZ 3.79Å; F98-F179 HydrophobicContact CD2-CZ 3.79Å; F98-F179 AromaticContact CE2-CE2 3.61Å; F98-F179 HydrophobicContact CE2-CE2 3.61Å; F98-F179 AromaticContact CE2-CZ 3.58Å; F98-F179 HydrophobicContact CE2-CZ 3.58Å; F98-F179 HydrophobicContact CZ-CZ 4.38Å; L101-F179 HydrophobicContact CB-CE1 3.78Å; L101-F179 HydrophobicContact CB-CZ 3.74Å; L101-F179 HydrophobicContact CD1-CE1 4.27Å; L101-F179 HydrophobicContact CD1-CE2 3.82Å; L101-F179 HydrophobicContact CD1-CZ 3.62Å; L101-F179 HydrophobicContact CG-CZ 4.34Å; L102-F179 HydrophobicContact CD2-CE1 4.25Å; L102-F179 HydrophobicContact CD2-CZ 4.31Å; Y105-F179 HydrophobicContact CE1-CD1 4.46Å; Y105-F179 AromaticContact CE2-CD1 3.7Å; Y105-F179 HydrophobicContact CE2-CD1 3.7Å; Y105-F179 AromaticContact CE2-CE1 3.78Å; Y105-F179 HydrophobicContact CE2-CE1 3.78Å; Y105-F179 AromaticContact CZ-CD1 3.55Å; Y105-F179 WeakPolarHBondContact OH-CD1 3.29Å; F126-F179 HydrophobicContact CE1-CE2 4.22Å; W164-F179 HydrophobicContact CB-CB 4.43Å; W164-F179 HydrophobicContact CE3-CB 4.45Å; W164-F179 VanDerWaalsContact O-CB 3.29Å; W164-F179 WeakPolarHBondContact O-CB 3.4Å; W164-F179 PolarHBondContact O-N 3.43Å; F165-F179 HydrophobicContact CD1-CB 3.86Å; F165-F179 HydrophobicContact CD1-CD2 4.45Å; F165-F179 HydrophobicContact CD1-CG 4.07Å; F165-F179 HydrophobicContact CE1-CB 3.7Å; F165-F179 AromaticContact CE1-CD1 4Å; F165-F179 HydrophobicContact CE1-CD1 4Å; F165-F179 AromaticContact CE1-CD2 3.47Å; F165-F179 HydrophobicContact CE1-CD2 3.47Å; F165-F179 VanDerWaalsContact CE1-CD2 3.47Å; F165-F179 HydrophobicContact CE1-CE2 4.05Å; F165-F179 AromaticContact CE1-CG 3.43Å; F165-F179 HydrophobicContact CE1-CG 3.43Å; F165-F179 VanDerWaalsContact CE1-CG 3.43Å; F165-F179 AromaticContact CZ-CD2 3.79Å; F165-F179 HydrophobicContact CZ-CD2 3.79Å; F165-F179 HydrophobicContact CZ-CE2 4.21Å; F165-F179 HydrophobicContact CZ-CG 4.23Å; S177-F179 VanDerWaalsContact C-N 3.3Å; S177-F179 PolarHBondContact O-N 3.41Å; F179-H181 PolarHBondContact O-N 2.63Å; F179-V182 PolarHBondContact O-N 3.29Å; F179-F183 AromaticContact CD2-CD2 3.57Å; F179-F183 HydrophobicContact CD2-CD2 3.57Å; F179-F183 HydrophobicContact CD2-CE2 4.18Å; F179-F183 HydrophobicContact CD2-CG 4.35Å; F179-F183 HydrophobicContact CE1-CB 4.31Å; F179-F183 HydrophobicContact CE2-CB 4.34Å; F179-F183 AromaticContact CE2-CD2 3.87Å; F179-F183 HydrophobicContact CE2-CD2 3.87Å; F179-F183 HydrophobicContact CE2-CG 4.26Å; F179-F183 HydrophobicContact CG-CD2 4.06Å; F179-F183 HydrophobicContact CZ-CB 4.22Å; F179-F183 WeakPolarHBondContact O-CB 3.35Å; F179-F183 PolarHBondContact O-N 2.75Å; F179-V184 HydrophobicContact CD1-CG2 3.97Å; F179-V184 HydrophobicContact CE1-CG2 3.78Å
180	E	97.3	Very high	93.3	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.158	C	C	.	.	I	π-helix	trans	-56.2	-51.6	178.6	-175.2	-179.8	170.2	0	0	111.6	Y105 R167 S176 S177 V184 G185 E186	Y105-E180 HydrophobicContact CD1-CB 3.56Å; Y105-E180 HydrophobicContact CD1-CG 3.56Å; Y105-E180 HydrophobicContact CE1-CB 3.77Å; Y105-E180 HydrophobicContact CE1-CG 4.29Å; Y105-E180 HydrophobicContact CG-CB 4.22Å; Y105-E180 HydrophobicContact CG-CG 3.92Å; R167-E180 IonicContact NH1-OE2 2.69Å; R167-E180 PolarHBondContact NH1-OE2 3.17Å; S176-E180 VanDerWaalsContact CA-OE2 3.32Å; S176-E180 WeakPolarHBondContact CA-OE2 3.48Å; S177-E180 PolarHBondContact N-OE2 3.49Å; S177-E180 PolarHBondContact O-N 2.83Å; S177-E180 WeakPolarHBondContact OG-CB 3.48Å; S177-E180 PolarHBondContact OG-N 2.59Å; S177-E180 VanDerWaalsContact OG-N 3.13Å; E180-V184 WeakPolarHBondContact O-CA 3.45Å; E180-V184 WeakPolarHBondContact O-CB 3.49Å; E180-V184 PolarHBondContact O-N 3.2Å; E180-G185 PolarHBondContact O-N 2.69Å; E180-E186 HydrophobicContact CG-CG 3.99Å
181	H	97	Very high	93.4	Very high	14 Å²	14	31 Å²	31	7%	0.065	17%	0.171	C	C	.	.	I	π-helix	trans	-61.3	-53.1	178.6	-172.7	84.5	0	0	0	111.7	S177 F179 E186 G194 L195 G289 T290	S177-H181 WeakPolarHBondContact O-CB 3.22Å; S177-H181 PolarHBondContact O-N 2.99Å; F179-H181 PolarHBondContact O-N 2.63Å; H181-E186 IonicContact CE1-OE2 3Å; H181-E186 IonicContact CG-OE2 2.72Å; H181-E186 IonicContact ND1-OE2 2.79Å; H181-E186 PolarHBondContact ND1-OE2 2.88Å; H181-G194 CarbonylContact O-C 3.59Å; H181-G194 WeakPolarHBondContact O-CA 3.3Å; H181-L195 PolarHBondContact O-N 3.24Å; H181-G289 PolarHBondContact CD2-O 2.83Å; H181-G289 VanDerWaalsContact CG-O 3.3Å; H181-G289 PolarHBondContact NE2-O 3.46Å; H181-T290 VanDerWaalsContact CD2-CB 3.45Å; H181-T290 WeakPolarHBondContact CD2-CB 3.39Å; H181-T290 PolarHBondContact CD2-OG1 2.92Å; H181-T290 WeakPolarHBondContact NE2-CB 3.19Å
182	V	98.1	Very high	93.6	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	15%	0.152	C	C	.	.	I	π-helix	trans	-72	-42	-171.5	174.2	0	0	0	0	111.6	W164 A178 F179 H196 Y255 C291	W164-V182 HydrophobicContact CZ3-CB 4.15Å; W164-V182 HydrophobicContact CZ3-CG1 4.34Å; W164-V182 HydrophobicContact CZ3-CG2 4.22Å; A178-V182 VanDerWaalsContact O-CB 3.29Å; A178-V182 WeakPolarHBondContact O-CB 2.91Å; A178-V182 VanDerWaalsContact O-CG2 3.28Å; A178-V182 WeakPolarHBondContact O-CG2 2.99Å; A178-V182 PolarHBondContact O-N 2.77Å; F179-V182 PolarHBondContact O-N 3.29Å; V182-H196 HydrophobicContact CG1-CB 4.36Å; V182-H196 WeakPolarHBondContact O-CA 3.34Å; V182-H196 WeakPolarHBondContact O-CB 3.29Å; V182-H196 PolarHBondContact O-N 3.47Å; V182-Y255 HydrophobicContact CG1-CD2 4.02Å; V182-Y255 HydrophobicContact CG1-CE2 3.95Å; V182-C291 WeakPolarHBondContact CG1-O 3.5Å
183	F	98.4	Very high	93.9	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.15	C	C	.	.	I	π-helix	trans	-106.1	-38	-168.1	-65.6	-73	0	0	0	114.4	F98 W164 F179 L195 N197 Q200 D251 I252 Y255	F98-F183 HydrophobicContact CE2-CB 3.93Å; F98-F183 AromaticContact CE2-CD1 3.67Å; F98-F183 HydrophobicContact CE2-CD1 3.67Å; F98-F183 HydrophobicContact CE2-CD2 4.39Å; F98-F183 HydrophobicContact CE2-CE1 4.31Å; F98-F183 AromaticContact CE2-CG 3.75Å; F98-F183 HydrophobicContact CE2-CG 3.75Å; F98-F183 HydrophobicContact CZ-CB 3.85Å; F98-F183 AromaticContact CZ-CD1 3.74Å; F98-F183 HydrophobicContact CZ-CD1 3.74Å; F98-F183 AromaticContact CZ-CG 3.99Å; F98-F183 HydrophobicContact CZ-CG 3.99Å; W164-F183 HydrophobicContact CE3-CD2 4.41Å; W164-F183 AromaticContact CE3-CE2 3.83Å; W164-F183 HydrophobicContact CE3-CE2 3.83Å; W164-F183 AromaticContact CH2-CE2 3.71Å; W164-F183 HydrophobicContact CH2-CE2 3.71Å; W164-F183 HydrophobicContact CH2-CZ 4.11Å; W164-F183 HydrophobicContact CZ3-CD2 4.08Å; W164-F183 AromaticContact CZ3-CE2 3.33Å; W164-F183 HydrophobicContact CZ3-CE2 3.33Å; W164-F183 HydrophobicContact CZ3-CZ 4.18Å; F179-F183 AromaticContact CD2-CD2 3.57Å; F179-F183 HydrophobicContact CD2-CD2 3.57Å; F179-F183 HydrophobicContact CD2-CE2 4.18Å; F179-F183 HydrophobicContact CD2-CG 4.35Å; F179-F183 HydrophobicContact CE1-CB 4.31Å; F179-F183 HydrophobicContact CE2-CB 4.34Å; F179-F183 AromaticContact CE2-CD2 3.87Å; F179-F183 HydrophobicContact CE2-CD2 3.87Å; F179-F183 HydrophobicContact CE2-CG 4.26Å; F179-F183 HydrophobicContact CG-CD2 4.06Å; F179-F183 HydrophobicContact CZ-CB 4.22Å; F179-F183 WeakPolarHBondContact O-CB 3.35Å; F179-F183 PolarHBondContact O-N 2.75Å; F183-L195 WeakPolarHBondContact O-CD1 3.38Å; F183-N197 HydrophobicContact CD1-CB 3.58Å; F183-N197 HydrophobicContact CE1-CB 4.26Å; F183-Q200 VanDerWaalsContact O-CB 3.31Å; F183-Q200 WeakPolarHBondContact O-CB 3.49Å; F183-Q200 WeakPolarHBondContact O-CG 3.44Å; F183-D251 HydrophobicContact CE1-CB 3.86Å; F183-D251 HydrophobicContact CZ-CB 4.13Å; F183-I252 HydrophobicContact CE2-CD1 3.46Å; F183-I252 VanDerWaalsContact CE2-CD1 3.46Å; F183-I252 HydrophobicContact CE2-CG1 4.37Å; F183-I252 HydrophobicContact CZ-CD1 3.69Å; F183-I252 HydrophobicContact CZ-CG1 4.13Å; F183-Y255 HydrophobicContact CE1-CE2 4.28Å; F183-Y255 AromaticContact CZ-CD2 3.98Å; F183-Y255 HydrophobicContact CZ-CD2 3.98Å; F183-Y255 HydrophobicContact CZ-CE2 4.17Å
184	V	97.4	Very high	94.2	Very high	10 Å²	10	22 Å²	22	6%	0.061	12%	0.123	C	C	.	.	I	π-helix	trans	-86.5	-43.3	-174.7	-175.9	0	0	0	0	110.9	L102 Y105 F179 E180	L102-V184 HydrophobicContact CD2-CG2 4.03Å; Y105-V184 HydrophobicContact CD2-CG1 4.44Å; Y105-V184 HydrophobicContact CD2-CG2 3.62Å; Y105-V184 HydrophobicContact CE2-CG2 3.88Å; Y105-V184 HydrophobicContact CG-CG2 4.21Å; F179-V184 HydrophobicContact CD1-CG2 3.97Å; F179-V184 HydrophobicContact CE1-CG2 3.78Å; E180-V184 WeakPolarHBondContact O-CA 3.45Å; E180-V184 WeakPolarHBondContact O-CB 3.49Å; E180-V184 PolarHBondContact O-N 3.2Å
185	G	95.3	Very high	94.6	Very high	4 Å²	4	21.2 Å²	21.2	4%	0.041	12%	0.115	C	C	.	.			trans	92.8	144	-170.3	0	0	0	0	0	111.9	E180	E180-G185 PolarHBondContact O-N 2.69Å
186	E	94.6	Very high	95	Very high	2 Å²	2	21.7 Å²	21.7	1%	0.009	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	170.4	178.9	-60.2	172.3	122.1	0	0	108.7	P107 V109 R170 S176 E180 H181 L193	P107-E186 CarbonylContact O-C 3.39Å; P107-E186 VanDerWaalsContact O-CA 3.27Å; P107-E186 WeakPolarHBondContact O-CA 3.21Å; V109-E186 HydrophobicContact CG1-CB 3.83Å; V109-E186 HydrophobicContact CG1-CG 4.25Å; R170-E186 IonicContact CZ-OE2 2.57Å; R170-E186 IonicContact NE-OE1 2.85Å; R170-E186 IonicContact NE-OE2 3.84Å; R170-E186 PolarHBondContact NE-OE2 2.79Å; S176-E186 WeakPolarHBondContact CB-OE1 3.32Å; S176-E186 PolarHBondContact OG-OE1 2.99Å; E180-E186 HydrophobicContact CG-CG 3.99Å; H181-E186 IonicContact CE1-OE2 3Å; H181-E186 IonicContact CG-OE2 2.72Å; H181-E186 IonicContact ND1-OE2 2.79Å; H181-E186 PolarHBondContact ND1-OE2 2.88Å; E186-L193 HydrophobicContact CB-CB 4.33Å; E186-L193 PolarHBondContact N-O 3.22Å; E186-L193 VanDerWaalsContact N-O 3.11Å; E186-L193 WeakPolarHBondContact O-CA 3.5Å; E186-L193 PolarHBondContact O-N 2.75Å
187	H	92	Very high	95.2	Very high	15 Å²	15	21.7 Å²	21.7	7%	0.069	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	144.4	169.6	53.9	76.3	0	0	0	112.5	P107 Q108 V109 I191 Y235	P107-H187 PolarHBondContact O-N 3.08Å; Q108-H187 WeakPolarHBondContact CA-CE1 3.31Å; Q108-H187 VanDerWaalsContact CB-CE1 3.41Å; Q108-H187 WeakPolarHBondContact CB-CE1 3.36Å; Q108-H187 PolarHBondContact NE2-O 3.22Å; Q108-H187 PolarHBondContact OE1-CE1 3.41Å; Q108-H187 PolarHBondContact OE1-ND1 2.91Å; V109-H187 WeakPolarHBondContact CG2-O 3.42Å; V109-H187 PolarHBondContact N-O 3.43Å; H187-I191 CarbonylContact C-O 3.57Å; H187-I191 VanDerWaalsContact CA-O 3.26Å; H187-I191 WeakPolarHBondContact CA-O 3.09Å; H187-Y235 HydrophobicContact CB-CD2 3.58Å; H187-Y235 HydrophobicContact CB-CE2 3.99Å; H187-Y235 AromaticContact CG-CD2 3.74Å; H187-Y235 AromaticContact CG-CE2 3.71Å; H187-Y235 AromaticContact ND1-CE2 3.71Å
188	K	88.5	Confident	95.2	Very high	63 Å²	63	21.7 Å²	21.7	27%	0.274	12%	0.117	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	127.9	-177.9	176.2	179.9	165.6	167.5	0	109.5	V109 R171 S190 I191 L193	V109-K188 HydrophobicContact CG2-CB 3.68Å; V109-K188 HydrophobicContact CG2-CD 4.37Å; V109-K188 HydrophobicContact CG2-CG 3.92Å; R171-K188 VanDerWaalsContact NE-CE 3.33Å; K188-S190 PolarHBondContact O-N 2.69Å; K188-I191 PolarHBondContact N-O 3.34Å; K188-I191 PolarHBondContact O-N 3.26Å; K188-L193 HydrophobicContact CB-CD1 3.6Å; K188-L193 HydrophobicContact CB-CG 4.26Å; K188-L193 HydrophobicContact CD-CD1 4.14Å
189	N	88.3	Confident	95.3	Very high	119 Å²	119	21.7 Å²	21.7	64%	0.636	12%	0.117	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.4	43.9	179.1	-59.2	-10	0	0	0	112	I191	N189-I191 PolarHBondContact O-N 3.14Å
190	S	88.7	Confident	95.3	Very high	70 Å²	70	22.3 Å²	22.3	49%	0.49	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	63	23	-178.8	-51.7	0	0	0	0	115.9	K188 Y235	K188-S190 PolarHBondContact O-N 2.69Å; S190-Y235 VanDerWaalsContact C-CD1 3.49Å; S190-Y235 VanDerWaalsContact CB-CD1 3.43Å; S190-Y235 WeakPolarHBondContact O-CB 3.49Å; S190-Y235 VanDerWaalsContact O-CD1 3.24Å; S190-Y235 WeakPolarHBondContact O-CD1 3.49Å; S190-Y235 VanDerWaalsContact OG-CE1 3.3Å; S190-Y235 WeakPolarHBondContact OG-CE1 3.5Å
191	I	92.1	Very high	95.3	Very high	92 Å²	92	22.3 Å²	22.3	47%	0.472	12%	0.12	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	135.6	172.6	-60	172.5	0	0	0	108.5	H187 K188 N189	H187-I191 CarbonylContact C-O 3.57Å; H187-I191 VanDerWaalsContact CA-O 3.26Å; H187-I191 WeakPolarHBondContact CA-O 3.09Å; K188-I191 PolarHBondContact N-O 3.34Å; K188-I191 PolarHBondContact O-N 3.26Å; N189-I191 PolarHBondContact O-N 3.14Å
192	M	93.9	Very high	95.4	Very high	10 Å²	10	22.6 Å²	22.6	5%	0.049	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	133.7	176.4	-168	173.3	-173	0	0	111.2	L195 Y229 D231 E236 K237	M192-L195 HydrophobicContact CE-CB 4.09Å; M192-L195 HydrophobicContact CE-CD2 3.33Å; M192-L195 HydrophobicContact CE-CG 4.33Å; M192-Y229 HydrophobicContact CE-CE2 3.77Å; M192-Y229 HydrophobicContact SD-CD2 4.01Å; M192-Y229 HydrophobicContact SD-CE2 3.39Å; M192-Y229 WeakPolarHBondContact SD-CE2 3.45Å; M192-D231 HydrophobicContact SD-CB 4.03Å; M192-E236 PolarHBondContact N-O 2.86Å; M192-E236 VanDerWaalsContact N-O 3.13Å; M192-K237 HydrophobicContact CB-CB 4.09Å; M192-K237 HydrophobicContact CB-CD 4.37Å; M192-K237 HydrophobicContact CG-CB 4.4Å; M192-K237 VanDerWaalsContact O-CD 3.27Å; M192-K237 WeakPolarHBondContact O-CD 3.3Å; M192-K237 HydrophobicContact SD-CB 4.17Å
193	L	93.8	Very high	95.4	Very high	43 Å²	43	23.9 Å²	23.9	23%	0.225	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	158.7	-179.6	-57.5	-176.7	0	0	0	109.7	E186 K188	E186-L193 HydrophobicContact CB-CB 4.33Å; E186-L193 PolarHBondContact N-O 3.22Å; E186-L193 VanDerWaalsContact N-O 3.11Å; E186-L193 WeakPolarHBondContact O-CA 3.5Å; E186-L193 PolarHBondContact O-N 2.75Å; K188-L193 HydrophobicContact CB-CD1 3.6Å; K188-L193 HydrophobicContact CB-CG 4.26Å; K188-L193 HydrophobicContact CD-CD1 4.14Å
194	G	96	Very high	95.4	Very high	2 Å²	2	25.2 Å²	25.2	2%	0.021	13%	0.133	C	C	.	.			trans	67.7	-141.5	171.4	0	0	0	0	0	114.9	H181 K237	H181-G194 CarbonylContact O-C 3.59Å; H181-G194 WeakPolarHBondContact O-CA 3.3Å; G194-K237 PolarHBondContact O-NZ 3.48Å
195	L	97.7	Very high	95.4	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.132	C	C	.	.			trans	52.2	71.1	-178.4	-173	62.5	0	0	0	112.5	H181 F183 M192 Q200 F201 I210 Y229	H181-L195 PolarHBondContact O-N 3.24Å; F183-L195 WeakPolarHBondContact O-CD1 3.38Å; M192-L195 HydrophobicContact CE-CB 4.09Å; M192-L195 HydrophobicContact CE-CD2 3.33Å; M192-L195 HydrophobicContact CE-CG 4.33Å; L195-Q200 HydrophobicContact CD1-CB 3.66Å; L195-Q200 HydrophobicContact CD1-CG 3.36Å; L195-F201 HydrophobicContact CD2-CD2 4.33Å; L195-I210 HydrophobicContact CD2-CD1 3.44Å; L195-I210 VanDerWaalsContact CD2-CD1 3.44Å; L195-Y229 HydrophobicContact CD2-CE2 3.97Å; L195-Y229 PolarHBondContact O-OH 2.88Å
196	H	97.9	Very high	95.5	Very high	11 Å²	11	29.8 Å²	29.8	5%	0.051	15%	0.152	C	C	.	.			trans	-108.3	31.5	179.2	-65.1	-69.5	0	0	0	111.9	V182 G241 F242 Y292	V182-H196 HydrophobicContact CG1-CB 4.36Å; V182-H196 WeakPolarHBondContact O-CA 3.34Å; V182-H196 WeakPolarHBondContact O-CB 3.29Å; V182-H196 PolarHBondContact O-N 3.47Å; H196-G241 WeakPolarHBondContact CA-O 3.35Å; H196-G241 PolarHBondContact ND1-O 2.7Å; H196-F242 WeakPolarHBondContact O-CB 3.47Å; H196-Y292 AromaticContact CE1-CD1 3.77Å; H196-Y292 AromaticContact CE1-CG 3.61Å; H196-Y292 WeakPolarHBondContact ND1-CB 3.48Å; H196-Y292 AromaticContact ND1-CG 3.64Å; H196-Y292 AromaticContact NE2-CD1 3.78Å; H196-Y292 AromaticContact NE2-CG 4Å
197	N	98.4	Very high	95.6	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.18	C	C	.	.			trans	-139.3	135.2	-177.9	177.6	-95	0	0	0	112.7	F183 I199 Q200 F201 D251	F183-N197 HydrophobicContact CD1-CB 3.58Å; F183-N197 HydrophobicContact CE1-CB 4.26Å; N197-I199 VanDerWaalsContact OD1-CB 3.29Å; N197-I199 WeakPolarHBondContact OD1-CB 3.43Å; N197-I199 PolarHBondContact OD1-N 2.65Å; N197-Q200 PolarHBondContact OD1-N 2.81Å; N197-F201 PolarHBondContact O-N 3.4Å; N197-D251 PolarHBondContact ND2-OD2 2.85Å
198	W	98.5	Very high	95.9	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-74.7	-28.6	-172.8	74.6	-93.6	0	0	0	112.9	V52 F81 V84 I88 F89 F95 Y202 F242 V244 S246	V52-W198 HydrophobicContact CG2-CH2 3.7Å; V52-W198 HydrophobicContact CG2-CZ2 3.55Å; F81-W198 AromaticContact CE1-CE3 3.89Å; F81-W198 HydrophobicContact CE1-CE3 3.89Å; F81-W198 HydrophobicContact CE1-CZ3 4.43Å; F81-W198 HydrophobicContact CZ-CB 4.15Å; F81-W198 AromaticContact CZ-CE3 3.96Å; F81-W198 HydrophobicContact CZ-CE3 3.96Å; V84-W198 HydrophobicContact CG1-CH2 4.49Å; V84-W198 HydrophobicContact CG1-CZ3 4.2Å; V84-W198 HydrophobicContact CG2-CZ3 4.38Å; I88-W198 HydrophobicContact CD1-CH2 4.27Å; F89-W198 HydrophobicContact CE1-CH2 4.28Å; F89-W198 HydrophobicContact CZ-CZ3 4.47Å; F95-W198 HydrophobicContact CE1-CH2 4.21Å; F95-W198 AromaticContact CE1-CZ2 3.8Å; F95-W198 HydrophobicContact CE1-CZ2 3.8Å; F95-W198 HydrophobicContact CZ-CZ2 4.35Å; W198-Y202 WeakPolarHBondContact O-CB 3.12Å; W198-Y202 PolarHBondContact O-N 2.91Å; W198-F242 HydrophobicContact CB-CD2 3.62Å; W198-F242 HydrophobicContact CB-CE2 3.99Å; W198-F242 HydrophobicContact CB-CG 4.26Å; W198-V244 HydrophobicContact CB-CG2 4.26Å; W198-V244 HydrophobicContact CD2-CG1 4.46Å; W198-V244 HydrophobicContact CG-CG1 4.44Å; W198-S246 PolarHBondContact NE1-O 3.34Å
199	I	98.5	Very high	96.3	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-67.3	-52.1	-179.2	-57.2	167.4	0	0	0	109	F89 F95 F98 I99 N197 F201 Y202 L203 P248	F89-I199 HydrophobicContact CD1-CG2 4.45Å; F89-I199 HydrophobicContact CE1-CG2 3.87Å; F89-I199 HydrophobicContact CZ-CG2 4.44Å; F95-I199 HydrophobicContact CD1-CD1 3.66Å; F95-I199 HydrophobicContact CD1-CG1 4.43Å; F95-I199 HydrophobicContact CE1-CD1 3.55Å; F95-I199 HydrophobicContact CE1-CG1 4.17Å; F95-I199 HydrophobicContact CZ-CD1 4.43Å; F98-I199 HydrophobicContact CD1-CD1 4.1Å; F98-I199 HydrophobicContact CD1-CG2 4.31Å; F98-I199 HydrophobicContact CE1-CB 4.04Å; F98-I199 HydrophobicContact CE1-CD1 4.13Å; F98-I199 HydrophobicContact CE1-CG2 4.18Å; I99-I199 HydrophobicContact CD1-CG2 4.1Å; I99-I199 HydrophobicContact CG1-CG2 4.02Å; N197-I199 VanDerWaalsContact OD1-CB 3.29Å; N197-I199 WeakPolarHBondContact OD1-CB 3.43Å; N197-I199 PolarHBondContact OD1-N 2.65Å; I199-F201 VanDerWaalsContact C-N 3.32Å; I199-F201 PolarHBondContact O-N 2.81Å; I199-Y202 WeakPolarHBondContact O-CB 3.09Å; I199-Y202 PolarHBondContact O-N 2.81Å; I199-L203 HydrophobicContact CG2-CD1 4.06Å; I199-L203 HydrophobicContact CG2-CG 4.49Å; I199-L203 VanDerWaalsContact O-CG 3.32Å; I199-L203 WeakPolarHBondContact O-CG 3.38Å; I199-L203 PolarHBondContact O-N 2.85Å; I199-P248 HydrophobicContact CD1-CG 3.83Å
200	Q	98.2	Very high	96.7	Very high	14 Å²	14	36.1 Å²	36.1	7%	0.065	18%	0.181	C	C	.	.	H	α-helix	trans	-63.7	-39.8	177.6	178.1	68.2	-24.7	0	0	111.5	L102 F183 L195 N197 Y202 L203 K204	L102-Q200 HydrophobicContact CD1-CB 4.3Å; L102-Q200 VanDerWaalsContact CD1-OE1 3.29Å; L102-Q200 HydrophobicContact CD2-CB 4.36Å; F183-Q200 VanDerWaalsContact O-CB 3.31Å; F183-Q200 WeakPolarHBondContact O-CB 3.49Å; F183-Q200 WeakPolarHBondContact O-CG 3.44Å; L195-Q200 HydrophobicContact CD1-CB 3.66Å; L195-Q200 HydrophobicContact CD1-CG 3.36Å; N197-Q200 PolarHBondContact OD1-N 2.81Å; Q200-Y202 PolarHBondContact O-N 3.22Å; Q200-L203 PolarHBondContact O-N 3.44Å; Q200-K204 HydrophobicContact CG-CD 4.49Å; Q200-K204 HydrophobicContact CG-CG 4.44Å; Q200-K204 WeakPolarHBondContact O-CB 3.45Å; Q200-K204 WeakPolarHBondContact O-CG 3.42Å; Q200-K204 PolarHBondContact O-N 2.78Å
201	F	98.5	Very high	97.1	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-56.9	-49.9	174.3	-171.3	-78.8	0	0	0	111.3	L80 F81 L195 N197 I199 L203 K204 E205 I210 L227 Y229 F242	L80-F201 HydrophobicContact CB-CE1 4.1Å; L80-F201 HydrophobicContact CD2-CD1 4.28Å; L80-F201 HydrophobicContact CD2-CE1 3.8Å; L80-F201 HydrophobicContact CD2-CZ 4.37Å; F81-F201 HydrophobicContact CD2-CD1 4.09Å; F81-F201 AromaticContact CE2-CD1 3.72Å; F81-F201 HydrophobicContact CE2-CD1 3.72Å; F81-F201 HydrophobicContact CE2-CE1 4.39Å; L195-F201 HydrophobicContact CD2-CD2 4.33Å; N197-F201 PolarHBondContact O-N 3.4Å; I199-F201 VanDerWaalsContact C-N 3.32Å; I199-F201 PolarHBondContact O-N 2.81Å; F201-L203 PolarHBondContact O-N 3.2Å; F201-K204 PolarHBondContact O-N 2.76Å; F201-E205 HydrophobicContact CE1-CB 4.46Å; F201-E205 VanDerWaalsContact O-CB 3.28Å; F201-E205 WeakPolarHBondContact O-CB 3.49Å; F201-E205 PolarHBondContact O-N 2.9Å; F201-I210 HydrophobicContact CD2-CD1 3.87Å; F201-I210 HydrophobicContact CD2-CG2 4.33Å; F201-I210 HydrophobicContact CE1-CG2 4.15Å; F201-I210 HydrophobicContact CE2-CD1 4.17Å; F201-I210 HydrophobicContact CE2-CG2 3.67Å; F201-I210 HydrophobicContact CG-CD1 4.35Å; F201-I210 HydrophobicContact CZ-CG2 3.58Å; F201-L227 HydrophobicContact CZ-CD1 4.35Å; F201-Y229 HydrophobicContact CD2-CE1 4.25Å; F201-Y229 HydrophobicContact CD2-CE2 4.44Å; F201-Y229 AromaticContact CE2-CD1 3.6Å; F201-Y229 HydrophobicContact CE2-CD1 3.6Å; F201-Y229 HydrophobicContact CE2-CD2 4Å; F201-Y229 AromaticContact CE2-CE1 3.75Å; F201-Y229 HydrophobicContact CE2-CE1 3.75Å; F201-Y229 HydrophobicContact CE2-CE2 4.13Å; F201-Y229 AromaticContact CE2-CG 3.73Å; F201-Y229 HydrophobicContact CE2-CG 3.73Å; F201-Y229 HydrophobicContact CZ-CD1 4.4Å; F201-Y229 HydrophobicContact CZ-CG 4.4Å; F201-F242 HydrophobicContact CB-CE1 4.06Å; F201-F242 HydrophobicContact CB-CZ 4.23Å; F201-F242 HydrophobicContact CD1-CE1 4.48Å; F201-F242 HydrophobicContact CD1-CZ 4.13Å; F201-F242 AromaticContact CD2-CE1 3.57Å; F201-F242 HydrophobicContact CD2-CE1 3.57Å; F201-F242 HydrophobicContact CD2-CZ 4.02Å; F201-F242 HydrophobicContact CE2-CE1 4.09Å; F201-F242 HydrophobicContact CE2-CZ 4.41Å; F201-F242 AromaticContact CG-CE1 3.77Å; F201-F242 HydrophobicContact CG-CE1 3.77Å; F201-F242 AromaticContact CG-CZ 3.85Å; F201-F242 HydrophobicContact CG-CZ 3.85Å
202	Y	98.4	Very high	97.4	Very high	19 Å²	19	31 Å²	31	8%	0.075	15%	0.149	C	C	.	.	H	α-helix	trans	-58	-47.5	176.4	166.6	-103.8	0	0	0	112.1	F81 V84 D86 F89 W198 I199 Q200 K204 E205 K206	F81-Y202 HydrophobicContact CB-CD2 3.54Å; F81-Y202 HydrophobicContact CB-CE2 4.08Å; F81-Y202 HydrophobicContact CD1-CD2 4.17Å; F81-Y202 HydrophobicContact CD2-CD2 4.11Å; F81-Y202 AromaticContact CG-CD2 3.68Å; F81-Y202 HydrophobicContact CG-CD2 3.68Å; F81-Y202 HydrophobicContact CG-CG 4.35Å; V84-Y202 HydrophobicContact CB-CD1 4.32Å; V84-Y202 HydrophobicContact CB-CD2 4.17Å; V84-Y202 HydrophobicContact CB-CE1 3.97Å; V84-Y202 HydrophobicContact CB-CE2 3.77Å; V84-Y202 HydrophobicContact CB-CG 4.41Å; V84-Y202 HydrophobicContact CG2-CD1 4.17Å; V84-Y202 HydrophobicContact CG2-CD2 3.45Å; V84-Y202 VanDerWaalsContact CG2-CD2 3.45Å; V84-Y202 HydrophobicContact CG2-CE1 4.24Å; V84-Y202 HydrophobicContact CG2-CE2 3.49Å; V84-Y202 VanDerWaalsContact CG2-CE2 3.49Å; V84-Y202 HydrophobicContact CG2-CG 3.78Å; D86-Y202 PolarHBondContact OD1-OH 2.84Å; F89-Y202 AromaticContact CE2-CD1 3.87Å; F89-Y202 HydrophobicContact CE2-CD1 3.87Å; F89-Y202 AromaticContact CE2-CE1 3.53Å; F89-Y202 HydrophobicContact CE2-CE1 3.53Å; F89-Y202 AromaticContact CZ-CD1 3.77Å; F89-Y202 HydrophobicContact CZ-CD1 3.77Å; F89-Y202 AromaticContact CZ-CE1 3.92Å; F89-Y202 HydrophobicContact CZ-CE1 3.92Å; W198-Y202 WeakPolarHBondContact O-CB 3.12Å; W198-Y202 PolarHBondContact O-N 2.91Å; I199-Y202 WeakPolarHBondContact O-CB 3.09Å; I199-Y202 PolarHBondContact O-N 2.81Å; Q200-Y202 PolarHBondContact O-N 3.22Å; Y202-K204 PolarHBondContact O-N 2.92Å; Y202-E205 PolarHBondContact O-N 3.5Å; Y202-K206 HydrophobicContact CE1-CD 4.06Å; Y202-K206 VanDerWaalsContact O-CB 3.3Å; Y202-K206 WeakPolarHBondContact O-CB 3.25Å; Y202-K206 PolarHBondContact O-N 3.43Å; Y202-K206 WeakPolarHBondContact OH-CD 3.33Å; Y202-K206 WeakPolarHBondContact OH-CE 3.47Å; Y202-K206 PolarHBondContact OH-NZ 2.69Å; Y202-K206 VanDerWaalsContact OH-NZ 3.07Å
203	L	98	Very high	97.5	Very high	27 Å²	27	32.3 Å²	32.3	14%	0.141	15%	0.154	C	C	.	.	H	α-helix	trans	-63.8	-40.8	-178.2	-69.4	174.8	0	0	0	112	I99 L102 I199 Q200 F201 K207	I99-L203 HydrophobicContact CD1-CD1 4.15Å; I99-L203 HydrophobicContact CG1-CD1 3.91Å; I99-L203 HydrophobicContact CG2-CD1 4.1Å; L102-L203 HydrophobicContact CD1-CD1 3.79Å; I199-L203 HydrophobicContact CG2-CD1 4.06Å; I199-L203 HydrophobicContact CG2-CG 4.49Å; I199-L203 VanDerWaalsContact O-CG 3.32Å; I199-L203 WeakPolarHBondContact O-CG 3.38Å; I199-L203 PolarHBondContact O-N 2.85Å; Q200-L203 PolarHBondContact O-N 3.44Å; F201-L203 PolarHBondContact O-N 3.2Å; L203-K207 WeakPolarHBondContact O-CG 3.4Å; L203-K207 PolarHBondContact O-N 2.79Å
204	K	97.9	Very high	97.7	Very high	28 Å²	28	30.2 Å²	30.2	12%	0.122	14%	0.143	C	C	.	.	H	α-helix	trans	-68.4	-42.7	174.6	-73	-163.6	126.6	-64.8	0	111.9	Q200 F201 Y202 K206 K207 N208 E209 I210 E232	Q200-K204 HydrophobicContact CG-CD 4.49Å; Q200-K204 HydrophobicContact CG-CG 4.44Å; Q200-K204 WeakPolarHBondContact O-CB 3.45Å; Q200-K204 WeakPolarHBondContact O-CG 3.42Å; Q200-K204 PolarHBondContact O-N 2.78Å; F201-K204 PolarHBondContact O-N 2.76Å; Y202-K204 PolarHBondContact O-N 2.92Å; K204-K206 VanDerWaalsContact C-N 3.34Å; K204-K206 PolarHBondContact O-N 2.75Å; K204-K207 CarbonylContact O-C 3.56Å; K204-K207 PolarHBondContact O-N 3.1Å; K204-K207 VanDerWaalsContact O-N 3.16Å; K204-N208 PolarHBondContact O-N 3.01Å; K204-E209 HydrophobicContact CB-CB 4.11Å; K204-E209 HydrophobicContact CG-CB 4.49Å; K204-E209 WeakPolarHBondContact CG-OE2 3.45Å; K204-E209 VanDerWaalsContact NZ-CB 3.34Å; K204-E209 IonicContact NZ-OE2 3.32Å; K204-E209 PolarHBondContact NZ-OE2 3.19Å; K204-E209 WeakPolarHBondContact O-CB 3.32Å; K204-E209 PolarHBondContact O-N 3.31Å; K204-I210 HydrophobicContact CB-CB 4.28Å; K204-I210 HydrophobicContact CB-CD1 3.66Å; K204-I210 HydrophobicContact CB-CG1 3.78Å; K204-I210 HydrophobicContact CD-CD1 3.93Å; K204-I210 HydrophobicContact CD-CG1 4.22Å; K204-I210 HydrophobicContact CG-CD1 4.36Å; K204-E232 IonicContact NZ-OE1 3.86Å; K204-E232 PolarHBondContact NZ-OE1 2.96Å
205	E	97.9	Very high	97.7	Very high	8 Å²	8	33.2 Å²	33.2	4%	0.037	15%	0.154	C	C	.	.	H	α-helix	trans	-60.5	-43.7	176.2	-175.9	173	-112.3	0	0	111.4	P79 L80 F81 F201 Y202 K207 N208	P79-E205 VanDerWaalsContact CA-OE1 3.3Å; P79-E205 WeakPolarHBondContact CA-OE1 3.37Å; P79-E205 VanDerWaalsContact CB-CD 3.49Å; P79-E205 HydrophobicContact CB-CG 3.86Å; P79-E205 HydrophobicContact CG-CG 4.45Å; L80-E205 VanDerWaalsContact N-CD 3.29Å; L80-E205 PolarHBondContact N-OE1 3.33Å; L80-E205 PolarHBondContact N-OE2 3.34Å; F81-E205 WeakPolarHBondContact CD2-OE2 3.41Å; F81-E205 PolarHBondContact N-OE2 3.02Å; F201-E205 HydrophobicContact CE1-CB 4.46Å; F201-E205 VanDerWaalsContact O-CB 3.28Å; F201-E205 WeakPolarHBondContact O-CB 3.49Å; F201-E205 PolarHBondContact O-N 2.9Å; Y202-E205 PolarHBondContact O-N 3.5Å; E205-K207 PolarHBondContact O-N 3.42Å; E205-N208 WeakPolarHBondContact O-CA 3.24Å; E205-N208 PolarHBondContact O-N 3.15Å
206	K	97.1	Very high	97.6	Very high	103 Å²	103	34.5 Å²	34.5	45%	0.448	16%	0.159	S	C	.	.	H	α-helix	trans	-60.2	-31.3	175.7	-170.6	-178.4	-167.6	166.6	0	113.1	D86 Y202 K204 N208	D86-K206 IonicContact OD1-NZ 2.75Å; D86-K206 PolarHBondContact OD1-NZ 2.92Å; D86-K206 IonicContact OD2-NZ 2.67Å; D86-K206 PolarHBondContact OD2-NZ 2.57Å; Y202-K206 HydrophobicContact CE1-CD 4.06Å; Y202-K206 VanDerWaalsContact O-CB 3.3Å; Y202-K206 WeakPolarHBondContact O-CB 3.25Å; Y202-K206 PolarHBondContact O-N 3.43Å; Y202-K206 WeakPolarHBondContact OH-CD 3.33Å; Y202-K206 WeakPolarHBondContact OH-CE 3.47Å; Y202-K206 PolarHBondContact OH-NZ 2.69Å; Y202-K206 VanDerWaalsContact OH-NZ 3.07Å; K204-K206 VanDerWaalsContact C-N 3.34Å; K204-K206 PolarHBondContact O-N 2.75Å; K206-N208 VanDerWaalsContact C-N 3.32Å
207	K	97.4	Very high	97.6	Very high	137 Å²	137	37.9 Å²	37.9	60%	0.596	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.1	1.1	175.2	-67.1	176.9	-173.9	177.6	0	113.4	L203 K204 E205 E209	L203-K207 WeakPolarHBondContact O-CG 3.4Å; L203-K207 PolarHBondContact O-N 2.79Å; K204-K207 CarbonylContact O-C 3.56Å; K204-K207 PolarHBondContact O-N 3.1Å; K204-K207 VanDerWaalsContact O-N 3.16Å; E205-K207 PolarHBondContact O-N 3.42Å; K207-E209 HydrophobicContact CB-CG 3.69Å; K207-E209 WeakPolarHBondContact CD-OE1 3.24Å; K207-E209 PolarHBondContact O-N 2.98Å
208	N	97.5	Very high	97.5	Very high	141 Å²	141	39.3 Å²	39.3	75%	0.754	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.2	26.1	-171.9	-51.1	-76.6	0	0	0	114	K204 E205 K206	K204-N208 PolarHBondContact O-N 3.01Å; E205-N208 WeakPolarHBondContact O-CA 3.24Å; E205-N208 PolarHBondContact O-N 3.15Å; K206-N208 VanDerWaalsContact C-N 3.32Å
209	E	97.4	Very high	97.5	Very high	44 Å²	44	40.7 Å²	40.7	21%	0.206	19%	0.194	C	C	.	.			trans	-92.6	-8.8	179.1	-55.6	171.6	-179.1	0	0	112.6	K204 K207 D231 E232	K204-E209 HydrophobicContact CB-CB 4.11Å; K204-E209 HydrophobicContact CG-CB 4.49Å; K204-E209 WeakPolarHBondContact CG-OE2 3.45Å; K204-E209 VanDerWaalsContact NZ-CB 3.34Å; K204-E209 IonicContact NZ-OE2 3.32Å; K204-E209 PolarHBondContact NZ-OE2 3.19Å; K204-E209 WeakPolarHBondContact O-CB 3.32Å; K204-E209 PolarHBondContact O-N 3.31Å; K207-E209 HydrophobicContact CB-CG 3.69Å; K207-E209 WeakPolarHBondContact CD-OE1 3.24Å; K207-E209 PolarHBondContact O-N 2.98Å; E209-D231 CarbonylContact O-C 3.38Å; E209-D231 VanDerWaalsContact O-CA 3.32Å; E209-D231 WeakPolarHBondContact O-CA 3.4Å; E209-E232 HydrophobicContact CB-CB 4.36Å; E209-E232 WeakPolarHBondContact CG-OE2 3.12Å; E209-E232 PolarHBondContact O-N 3.22Å
210	I	97.5	Very high	97.4	Very high	9 Å²	9	41.8 Å²	41.8	5%	0.046	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	135.8	171.2	-78.5	178.6	0	0	0	108.4	L195 F201 K204 Y229 I230	L195-I210 HydrophobicContact CD2-CD1 3.44Å; L195-I210 VanDerWaalsContact CD2-CD1 3.44Å; F201-I210 HydrophobicContact CD2-CD1 3.87Å; F201-I210 HydrophobicContact CD2-CG2 4.33Å; F201-I210 HydrophobicContact CE1-CG2 4.15Å; F201-I210 HydrophobicContact CE2-CD1 4.17Å; F201-I210 HydrophobicContact CE2-CG2 3.67Å; F201-I210 HydrophobicContact CG-CD1 4.35Å; F201-I210 HydrophobicContact CZ-CG2 3.58Å; K204-I210 HydrophobicContact CB-CB 4.28Å; K204-I210 HydrophobicContact CB-CD1 3.66Å; K204-I210 HydrophobicContact CB-CG1 3.78Å; K204-I210 HydrophobicContact CD-CD1 3.93Å; K204-I210 HydrophobicContact CD-CG1 4.22Å; K204-I210 HydrophobicContact CG-CD1 4.36Å; I210-Y229 HydrophobicContact CD1-CD2 4.35Å; I210-Y229 HydrophobicContact CD1-CE2 4.21Å; I210-Y229 HydrophobicContact CG1-CD2 4.47Å; I210-Y229 HydrophobicContact CG2-CD2 4.06Å; I210-Y229 HydrophobicContact CG2-CG 4.36Å; I210-I230 WeakPolarHBondContact CA-O 3.39Å
211	N	97.3	Very high	97.3	Very high	55 Å²	55	47.2 Å²	47.2	29%	0.294	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	115	166.7	-175.7	23.1	0	0	0	110	D74 Y213 Y229 I230	D74-N211 PolarHBondContact OD2-ND2 3.03Å; N211-Y213 HydrophobicContact CB-CE2 4.23Å; N211-Y213 VanDerWaalsContact ND2-CE2 3.31Å; N211-Y213 WeakPolarHBondContact ND2-CE2 3.26Å; N211-Y213 WeakPolarHBondContact O-CD2 3.29Å; N211-Y229 VanDerWaalsContact O-CA 3.24Å; N211-Y229 WeakPolarHBondContact O-CA 3.45Å; N211-Y229 VanDerWaalsContact O-CB 3.24Å; N211-Y229 WeakPolarHBondContact O-CB 3.27Å; N211-I230 HydrophobicContact CB-CD1 4.33Å; N211-I230 HydrophobicContact CB-CG1 3.83Å; N211-I230 PolarHBondContact N-O 3Å; N211-I230 PolarHBondContact O-N 3.33Å
212	Y	97.9	Very high	97.2	Very high	1 Å²	1	50.7 Å²	50.7	0%	0.004	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	127	178.8	166.6	-119.5	0	0	0	111.4	L62 L80 G214 W215 L227	L62-Y212 WeakPolarHBondContact O-CE1 3.4Å; L62-Y212 PolarHBondContact O-OH 3.1Å; L80-Y212 HydrophobicContact CB-CD1 3.78Å; L80-Y212 HydrophobicContact CB-CE1 4.19Å; L80-Y212 HydrophobicContact CB-CG 3.96Å; L80-Y212 HydrophobicContact CD1-CD1 4.45Å; L80-Y212 HydrophobicContact CD1-CE1 4.01Å; Y212-G214 VanDerWaalsContact CE2-CA 3.43Å; Y212-G214 VanDerWaalsContact CE2-N 3.27Å; Y212-G214 WeakPolarHBondContact CE2-O 3.46Å; Y212-G214 VanDerWaalsContact CZ-C 3.5Å; Y212-G214 VanDerWaalsContact OH-C 3.22Å; Y212-G214 WeakPolarHBondContact OH-CA 3.32Å; Y212-W215 WeakPolarHBondContact OH-CB 3.42Å; Y212-W215 PolarHBondContact OH-N 3.04Å; Y212-L227 HydrophobicContact CD2-CB 4.31Å; Y212-L227 HydrophobicContact CD2-CD1 4.21Å; Y212-L227 HydrophobicContact CE2-CB 4.03Å; Y212-L227 HydrophobicContact CE2-CD1 4.07Å; Y212-L227 HydrophobicContact CE2-CD2 3.78Å; Y212-L227 HydrophobicContact CE2-CG 4.18Å
213	Y	96.7	Very high	97.1	Very high	36 Å²	36	51.6 Å²	51.6	14%	0.141	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	-22.9	-174.3	-85	-134.7	0	0	0	113.8	L72 D74 L75 S76 N211 T228 I230	L72-Y213 HydrophobicContact CD1-CD1 3.52Å; L72-Y213 HydrophobicContact CD1-CE1 4.03Å; L72-Y213 HydrophobicContact CD1-CG 4.33Å; L72-Y213 HydrophobicContact CD2-CD1 4.04Å; L72-Y213 HydrophobicContact CD2-CE1 3.69Å; L72-Y213 HydrophobicContact CG-CD1 3.58Å; L72-Y213 HydrophobicContact CG-CE1 3.54Å; D74-Y213 VanDerWaalsContact CA-CD1 3.45Å; D74-Y213 HydrophobicContact CB-CD1 3.8Å; D74-Y213 HydrophobicContact CB-CD2 4.29Å; D74-Y213 HydrophobicContact CB-CE1 3.7Å; D74-Y213 HydrophobicContact CB-CE2 4.21Å; D74-Y213 HydrophobicContact CB-CG 4.09Å; L75-Y213 PolarHBondContact N-O 3.09Å; S76-Y213 WeakPolarHBondContact CB-O 3.24Å; S76-Y213 PolarHBondContact N-O 3.13Å; S76-Y213 PolarHBondContact OG-O 2.73Å; N211-Y213 HydrophobicContact CB-CE2 4.23Å; N211-Y213 VanDerWaalsContact ND2-CE2 3.31Å; N211-Y213 WeakPolarHBondContact ND2-CE2 3.26Å; N211-Y213 WeakPolarHBondContact O-CD2 3.29Å; Y213-T228 WeakPolarHBondContact CB-O 3.5Å; Y213-T228 PolarHBondContact N-O 3.14Å; Y213-I230 HydrophobicContact CE2-CB 4.43Å; Y213-I230 HydrophobicContact CE2-CD1 3.79Å; Y213-I230 HydrophobicContact CE2-CG1 3.66Å; Y213-I230 HydrophobicContact CE2-CG2 4.03Å; Y213-I230 WeakPolarHBondContact OH-CD1 3.43Å
214	G	96.9	Very high	97.1	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	148	162.4	-176.6	0	0	0	0	0	113.3	E64 S76 Y212 T228	E64-G214 WeakPolarHBondContact O-CA 3.35Å; S76-G214 VanDerWaalsContact OG-CA 3.31Å; S76-G214 WeakPolarHBondContact OG-CA 3.33Å; S76-G214 PolarHBondContact OG-N 3.11Å; Y212-G214 VanDerWaalsContact CE2-CA 3.43Å; Y212-G214 VanDerWaalsContact CE2-N 3.27Å; Y212-G214 WeakPolarHBondContact CE2-O 3.46Å; Y212-G214 VanDerWaalsContact CZ-C 3.5Å; Y212-G214 VanDerWaalsContact OH-C 3.22Å; Y212-G214 WeakPolarHBondContact OH-CA 3.32Å; G214-T228 PolarHBondContact O-N 3.47Å
215	W	97	Very high	97.1	Very high	65 Å²	65	49 Å²	49	25%	0.246	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	141.1	-176.8	65.1	-86.2	0	0	0	110.9	E64 Y65 L66 Y212 L227	E64-W215 VanDerWaalsContact O-CD1 3.25Å; E64-W215 PolarHBondContact O-N 2.9Å; Y65-W215 WeakPolarHBondContact CA-O 3.3Å; Y65-W215 HydrophobicContact CD2-CD2 4.08Å; Y65-W215 AromaticContact CD2-CE3 3.75Å; Y65-W215 HydrophobicContact CD2-CE3 3.75Å; Y65-W215 AromaticContact CD2-CH2 3.63Å; Y65-W215 HydrophobicContact CD2-CH2 3.63Å; Y65-W215 AromaticContact CD2-CZ2 3.96Å; Y65-W215 HydrophobicContact CD2-CZ2 3.96Å; Y65-W215 AromaticContact CD2-CZ3 3.52Å; Y65-W215 HydrophobicContact CD2-CZ3 3.52Å; Y65-W215 WeakPolarHBondContact CD2-O 3.36Å; Y65-W215 HydrophobicContact CE2-CE3 4.41Å; Y65-W215 HydrophobicContact CE2-CH2 4.46Å; Y65-W215 HydrophobicContact CE2-CZ3 4.08Å; Y65-W215 HydrophobicContact CG-CH2 4.25Å; Y65-W215 HydrophobicContact CG-CZ2 4.25Å; L66-W215 PolarHBondContact N-O 3.16Å; Y212-W215 WeakPolarHBondContact OH-CB 3.42Å; Y212-W215 PolarHBondContact OH-N 3.04Å; W215-L227 HydrophobicContact CB-CD2 3.56Å
216	K	95.6	Very high	97.1	Very high	26 Å²	26	49.1 Å²	49.1	11%	0.113	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	-29.8	175.5	-75.8	-179.8	168.4	174.1	0	112.7	Y65 L66 Y68 S226 T228 P238 I239	Y65-K216 WeakPolarHBondContact CE2-O 3.48Å; L66-K216 VanDerWaalsContact CD2-CE 3.48Å; L66-K216 HydrophobicContact CD2-CG 4.42Å; L66-K216 WeakPolarHBondContact O-CG 3.26Å; Y68-K216 HydrophobicContact CD1-CD 4.41Å; Y68-K216 HydrophobicContact CE1-CD 3.99Å; K216-S226 PolarHBondContact N-O 3.09Å; K216-T228 WeakPolarHBondContact CE-OG1 3.49Å; K216-T228 PolarHBondContact NZ-OG1 2.72Å; K216-P238 PolarHBondContact NZ-O 2.84Å; K216-I239 HydrophobicContact CD-CG1 4.01Å
217	K	96.5	Very high	97.1	Very high	82 Å²	82	44.2 Å²	44.2	36%	0.357	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	133.5	175.4	-174.7	-177.2	167.7	-161.6	0	108.6	S226 G294	K217-S226 PolarHBondContact N-O 3.04Å; K217-S226 PolarHBondContact O-N 3.27Å; K217-G294 PolarHBondContact NZ-OXT 2.63Å
218	S	97.1	Very high	97	Very high	30 Å²	30	37.7 Å²	37.7	21%	0.21	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	134.7	166.6	-174.3	0	0	0	0	108.5	D222 L225	S218-D222 WeakPolarHBondContact OG-CA 3.32Å; S218-D222 PolarHBondContact OG-OD1 3.45Å; S218-L225 WeakPolarHBondContact OG-CD2 3.46Å
219	S	97.2	Very high	97	Very high	30 Å²	30	31 Å²	31	21%	0.21	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	165.9	178	50.5	0	0	0	0	110.7	D222 R223 L224	S219-D222 PolarHBondContact O-N 3.44Å; S219-R223 PolarHBondContact O-N 3.44Å; S219-L224 PolarHBondContact N-O 2.94Å; S219-L224 PolarHBondContact O-N 3.25Å; S219-L224 WeakPolarHBondContact OG-CD2 3.37Å; S219-L224 PolarHBondContact OG-O 3.34Å
220	C	96.7	Very high	97	Very high	22 Å²	22	29.4 Å²	29.4	15%	0.149	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.1	50.9	178.7	-46.1	0	0	0	0	112.2	D222 R223 L224 C274	C220-D222 VanDerWaalsContact C-N 3.33Å; C220-D222 PolarHBondContact O-N 2.89Å; C220-R223 VanDerWaalsContact O-CB 3.31Å; C220-R223 WeakPolarHBondContact O-CB 3.29Å; C220-R223 WeakPolarHBondContact O-CG 3.37Å; C220-R223 PolarHBondContact O-N 3.17Å; C220-R223 PolarHBondContact O-NE 3.47Å; C220-R223 PolarHBondContact O-NH2 3.45Å; C220-L224 HydrophobicContact CB-CB 4.4Å; C220-C274 HydrophobicContact CB-CB 3.64Å; C220-C274 WeakPolarHBondContact CB-SG 3.31Å; C220-C274 VanDerWaalsContact SG-CA 3.53Å; C220-C274 WeakPolarHBondContact SG-CB 3.17Å; C220-C274 CovalentContact SG-SG 1.98Å; C220-C274 PolarHBondContact SG-SG 2.72Å
221	D	95.8	Very high	96.9	Very high	129 Å²	129	29.4 Å²	29.4	69%	0.69	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	57	47.8	179.9	-38.8	-60.2	0	0	0	111.6	R223	D221-R223 PolarHBondContact O-N 2.96Å; D221-R223 VanDerWaalsContact O-N 3.15Å; D221-R223 IonicContact OD2-NH2 2.62Å; D221-R223 PolarHBondContact OD2-NH2 3.23Å; D221-R223 VanDerWaalsContact OD2-NH2 3.15Å
222	D	96.7	Very high	96.8	Very high	72 Å²	72	31.3 Å²	31.3	39%	0.385	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.1	16.9	-179.2	-51.2	-38.4	0	0	0	115.9	L60 L62 S218 S219 C220	L60-D222 HydrophobicContact CD1-CB 4.29Å; L60-D222 WeakPolarHBondContact CD1-O 3.04Å; L62-D222 HydrophobicContact CD1-CB 4.13Å; S218-D222 WeakPolarHBondContact OG-CA 3.32Å; S218-D222 PolarHBondContact OG-OD1 3.45Å; S219-D222 PolarHBondContact O-N 3.44Å; C220-D222 VanDerWaalsContact C-N 3.33Å; C220-D222 PolarHBondContact O-N 2.89Å
223	R	97.1	Very high	96.6	Very high	38 Å²	38	34.8 Å²	34.8	14%	0.143	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-42.7	174.1	-66.6	173.6	-72.3	145.3	-2.5	112.4	Y45 S219 C220 D221 L225 F243 V244	Y45-R223 VanDerWaalsContact CZ-NH1 3.25Å; Y45-R223 PolarHBondContact OH-NH1 3.28Å; S219-R223 PolarHBondContact O-N 3.44Å; C220-R223 VanDerWaalsContact O-CB 3.31Å; C220-R223 WeakPolarHBondContact O-CB 3.29Å; C220-R223 WeakPolarHBondContact O-CG 3.37Å; C220-R223 PolarHBondContact O-N 3.17Å; C220-R223 PolarHBondContact O-NE 3.47Å; C220-R223 PolarHBondContact O-NH2 3.45Å; D221-R223 PolarHBondContact O-N 2.96Å; D221-R223 VanDerWaalsContact O-N 3.15Å; D221-R223 IonicContact OD2-NH2 2.62Å; D221-R223 PolarHBondContact OD2-NH2 3.23Å; D221-R223 VanDerWaalsContact OD2-NH2 3.15Å; R223-L225 PolarHBondContact O-N 2.93Å; R223-F243 HydrophobicContact CB-CD2 4.43Å; R223-F243 HydrophobicContact CB-CE1 4.39Å; R223-F243 HydrophobicContact CB-CE2 4.04Å; R223-F243 HydrophobicContact CB-CZ 4.03Å; R223-F243 CarbonylContact O-C 3.57Å; R223-F243 WeakPolarHBondContact O-CA 3.09Å; R223-V244 PolarHBondContact O-N 2.74Å
224	L	98.4	Very high	96.5	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.005	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	106.1	177.9	-175.7	72.2	0	0	0	109.8	S219 C220 F243 I276 M293	S219-L224 PolarHBondContact N-O 2.94Å; S219-L224 PolarHBondContact O-N 3.25Å; S219-L224 WeakPolarHBondContact OG-CD2 3.37Å; S219-L224 PolarHBondContact OG-O 3.34Å; C220-L224 HydrophobicContact CB-CB 4.4Å; L224-F243 HydrophobicContact CB-CD2 4.09Å; L224-F243 HydrophobicContact CB-CE2 4.49Å; L224-F243 HydrophobicContact CD1-CD2 4.1Å; L224-I276 HydrophobicContact CD2-CB 4.41Å; L224-I276 HydrophobicContact CD2-CG1 3.87Å; L224-I276 HydrophobicContact CD2-CG2 4.4Å; L224-M293 HydrophobicContact CD1-CB 3.89Å
225	L	98.3	Very high	96.4	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	144.9	-174.8	-61.1	-177.7	0	0	0	111.6	L60 L62 L80 S218 R223 L227 G241 F242 V244	L60-L225 HydrophobicContact CD1-CD1 4.09Å; L62-L225 HydrophobicContact CD2-CD1 4.27Å; L62-L225 HydrophobicContact CD2-CD2 4.1Å; L80-L225 HydrophobicContact CD1-CD1 4.43Å; L80-L225 HydrophobicContact CD2-CD1 4.26Å; S218-L225 WeakPolarHBondContact OG-CD2 3.46Å; R223-L225 PolarHBondContact O-N 2.93Å; L225-L227 HydrophobicContact CB-CD1 4.47Å; L225-L227 HydrophobicContact CB-CD2 3.88Å; L225-L227 HydrophobicContact CB-CG 4.09Å; L225-L227 HydrophobicContact CD1-CD1 4.5Å; L225-L227 HydrophobicContact CD1-CD2 4.32Å; L225-G241 WeakPolarHBondContact O-CA 3.33Å; L225-F242 HydrophobicContact CB-CE2 4.49Å; L225-F242 HydrophobicContact CD1-CE2 4.19Å; L225-F242 PolarHBondContact N-O 3.26Å; L225-F242 VanDerWaalsContact N-O 3.11Å; L225-F242 PolarHBondContact O-N 3.2Å; L225-V244 HydrophobicContact CD1-CG2 3.7Å; L225-V244 HydrophobicContact CG-CG2 4.18Å
226	S	97.6	Very high	96.3	Very high	11 Å²	11	43 Å²	43	8%	0.077	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	123.2	162.1	-59.2	0	0	0	0	108.5	K216 K217 G240	K216-S226 PolarHBondContact N-O 3.09Å; K217-S226 PolarHBondContact N-O 3.04Å; K217-S226 PolarHBondContact O-N 3.27Å; S226-G240 CarbonylContact C-O 3.26Å; S226-G240 WeakPolarHBondContact CA-O 3.48Å
227	L	96.7	Very high	96.3	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	160.8	-165.7	-49.8	179.6	0	0	0	111.2	L80 F201 Y212 W215 L225 Y229 I239 G240 F242	L80-L227 HydrophobicContact CD2-CD1 3.46Å; L80-L227 VanDerWaalsContact CD2-CD1 3.46Å; F201-L227 HydrophobicContact CZ-CD1 4.35Å; Y212-L227 HydrophobicContact CD2-CB 4.31Å; Y212-L227 HydrophobicContact CD2-CD1 4.21Å; Y212-L227 HydrophobicContact CE2-CB 4.03Å; Y212-L227 HydrophobicContact CE2-CD1 4.07Å; Y212-L227 HydrophobicContact CE2-CD2 3.78Å; Y212-L227 HydrophobicContact CE2-CG 4.18Å; W215-L227 HydrophobicContact CB-CD2 3.56Å; L225-L227 HydrophobicContact CB-CD1 4.47Å; L225-L227 HydrophobicContact CB-CD2 3.88Å; L225-L227 HydrophobicContact CB-CG 4.09Å; L225-L227 HydrophobicContact CD1-CD1 4.5Å; L225-L227 HydrophobicContact CD1-CD2 4.32Å; L227-Y229 HydrophobicContact CB-CD1 4.3Å; L227-I239 CarbonylContact O-C 3.54Å; L227-I239 WeakPolarHBondContact O-CA 3.32Å; L227-G240 PolarHBondContact N-O 3.4Å; L227-G240 PolarHBondContact O-N 2.7Å; L227-F242 HydrophobicContact CD1-CE1 3.82Å; L227-F242 HydrophobicContact CD1-CE2 4.25Å; L227-F242 HydrophobicContact CD1-CZ 3.39Å; L227-F242 HydrophobicContact CG-CZ 4.47Å
228	T	96	Very high	96.1	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	137.6	164.3	-60.1	0	0	0	0	109.2	L72 Y213 G214 K216 K237 P238	L72-T228 HydrophobicContact CD1-CG2 3.38Å; Y213-T228 WeakPolarHBondContact CB-O 3.5Å; Y213-T228 PolarHBondContact N-O 3.14Å; G214-T228 PolarHBondContact O-N 3.47Å; K216-T228 WeakPolarHBondContact CE-OG1 3.49Å; K216-T228 PolarHBondContact NZ-OG1 2.72Å; T228-K237 WeakPolarHBondContact CA-O 3.29Å; T228-P238 PolarHBondContact OG1-O 3.23Å
229	Y	96.6	Very high	95.9	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	166.8	179.5	56.6	-89	0	0	0	110.8	M192 L195 F201 I210 N211 L227 K237	M192-Y229 HydrophobicContact CE-CE2 3.77Å; M192-Y229 HydrophobicContact SD-CD2 4.01Å; M192-Y229 HydrophobicContact SD-CE2 3.39Å; M192-Y229 WeakPolarHBondContact SD-CE2 3.45Å; L195-Y229 HydrophobicContact CD2-CE2 3.97Å; L195-Y229 PolarHBondContact O-OH 2.88Å; F201-Y229 HydrophobicContact CD2-CE1 4.25Å; F201-Y229 HydrophobicContact CD2-CE2 4.44Å; F201-Y229 AromaticContact CE2-CD1 3.6Å; F201-Y229 HydrophobicContact CE2-CD1 3.6Å; F201-Y229 HydrophobicContact CE2-CD2 4Å; F201-Y229 AromaticContact CE2-CE1 3.75Å; F201-Y229 HydrophobicContact CE2-CE1 3.75Å; F201-Y229 HydrophobicContact CE2-CE2 4.13Å; F201-Y229 AromaticContact CE2-CG 3.73Å; F201-Y229 HydrophobicContact CE2-CG 3.73Å; F201-Y229 HydrophobicContact CZ-CD1 4.4Å; F201-Y229 HydrophobicContact CZ-CG 4.4Å; I210-Y229 HydrophobicContact CD1-CD2 4.35Å; I210-Y229 HydrophobicContact CD1-CE2 4.21Å; I210-Y229 HydrophobicContact CG1-CD2 4.47Å; I210-Y229 HydrophobicContact CG2-CD2 4.06Å; I210-Y229 HydrophobicContact CG2-CG 4.36Å; N211-Y229 VanDerWaalsContact O-CA 3.24Å; N211-Y229 WeakPolarHBondContact O-CA 3.45Å; N211-Y229 VanDerWaalsContact O-CB 3.24Å; N211-Y229 WeakPolarHBondContact O-CB 3.27Å; L227-Y229 HydrophobicContact CB-CD1 4.3Å; Y229-K237 HydrophobicContact CD1-CB 4.17Å; Y229-K237 HydrophobicContact CD1-CG 4.42Å; Y229-K237 HydrophobicContact CD2-CB 3.93Å; Y229-K237 HydrophobicContact CE1-CB 3.91Å; Y229-K237 HydrophobicContact CE1-CG 3.76Å; Y229-K237 HydrophobicContact CE2-CB 3.63Å; Y229-K237 HydrophobicContact CE2-CG 4.11Å; Y229-K237 HydrophobicContact CG-CB 4.19Å; Y229-K237 PolarHBondContact N-O 2.87Å; Y229-K237 PolarHBondContact O-N 3.18Å
230	I	96.3	Very high	95.8	Very high	11 Å²	11	42.4 Å²	42.4	6%	0.056	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	152.7	171.4	65.6	172.4	0	0	0	109.6	L72 I210 N211 Y213 K234 Y235	L72-I230 HydrophobicContact CD2-CG2 4.11Å; I210-I230 WeakPolarHBondContact CA-O 3.39Å; N211-I230 HydrophobicContact CB-CD1 4.33Å; N211-I230 HydrophobicContact CB-CG1 3.83Å; N211-I230 PolarHBondContact N-O 3Å; N211-I230 PolarHBondContact O-N 3.33Å; Y213-I230 HydrophobicContact CE2-CB 4.43Å; Y213-I230 HydrophobicContact CE2-CD1 3.79Å; Y213-I230 HydrophobicContact CE2-CG1 3.66Å; Y213-I230 HydrophobicContact CE2-CG2 4.03Å; Y213-I230 WeakPolarHBondContact OH-CD1 3.43Å; I230-K234 HydrophobicContact CD1-CD 3.91Å; I230-Y235 WeakPolarHBondContact CA-O 3.24Å
231	D	95.9	Very high	95.7	Very high	9 Å²	9	41.6 Å²	41.6	5%	0.048	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	179.6	170.1	77.7	-6.6	0	0	0	112.4	M192 E209 N233 K234 Y235	M192-D231 HydrophobicContact SD-CB 4.03Å; E209-D231 CarbonylContact O-C 3.38Å; E209-D231 VanDerWaalsContact O-CA 3.32Å; E209-D231 WeakPolarHBondContact O-CA 3.4Å; D231-N233 PolarHBondContact O-N 2.82Å; D231-N233 VanDerWaalsContact OD1-C 3.31Å; D231-N233 WeakPolarHBondContact OD1-CA 3.31Å; D231-N233 WeakPolarHBondContact OD1-CB 3.4Å; D231-N233 PolarHBondContact OD1-N 3.36Å; D231-N233 PolarHBondContact OD2-ND2 3Å; D231-K234 PolarHBondContact O-N 3.49Å; D231-K234 PolarHBondContact OD1-N 3.49Å; D231-Y235 PolarHBondContact N-O 3.32Å; D231-Y235 VanDerWaalsContact N-O 3.09Å; D231-Y235 WeakPolarHBondContact OD1-CB 3.48Å; D231-Y235 PolarHBondContact OD1-N 3.08Å
232	E	94.9	Very high	95.8	Very high	94 Å²	94	35.4 Å²	35.4	44%	0.439	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-31.6	174.6	64.1	-158.3	141.7	0	0	113.7	K204 E209 K234	K204-E232 IonicContact NZ-OE1 3.86Å; K204-E232 PolarHBondContact NZ-OE1 2.96Å; E209-E232 HydrophobicContact CB-CB 4.36Å; E209-E232 WeakPolarHBondContact CG-OE2 3.12Å; E209-E232 PolarHBondContact O-N 3.22Å; E232-K234 PolarHBondContact O-N 2.91Å
233	N	94.3	Very high	95.9	Very high	75 Å²	75	32.1 Å²	32.1	40%	0.401	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	2.8	177.5	-58.5	-59.1	0	0	0	113.1	D231 Y235	D231-N233 PolarHBondContact O-N 2.82Å; D231-N233 VanDerWaalsContact OD1-C 3.31Å; D231-N233 WeakPolarHBondContact OD1-CA 3.31Å; D231-N233 WeakPolarHBondContact OD1-CB 3.4Å; D231-N233 PolarHBondContact OD1-N 3.36Å; D231-N233 PolarHBondContact OD2-ND2 3Å; N233-Y235 HydrophobicContact CB-CD1 4.26Å; N233-Y235 HydrophobicContact CB-CD2 3.7Å; N233-Y235 HydrophobicContact CB-CE1 4.15Å; N233-Y235 HydrophobicContact CB-CE2 3.6Å; N233-Y235 HydrophobicContact CB-CG 4.06Å; N233-Y235 PolarHBondContact O-N 2.89Å
234	K	94.8	Very high	95.9	Very high	154 Å²	154	30.3 Å²	30.3	67%	0.67	15%	0.149	S	C	*	.			trans	66.1	22.9	-176	-47.7	-57	178.4	-166.4	0	113.6	I230 D231 E232	I230-K234 HydrophobicContact CD1-CD 3.91Å; D231-K234 PolarHBondContact O-N 3.49Å; D231-K234 PolarHBondContact OD1-N 3.49Å; E232-K234 PolarHBondContact O-N 2.91Å
235	Y	95.7	Very high	95.9	Very high	48 Å²	48	30.5 Å²	30.5	19%	0.188	15%	0.152	C	C	.	.			trans	-81.5	127.7	172.8	-57.2	-23.2	0	0	0	109.7	H187 S190 I230 D231 N233	H187-Y235 HydrophobicContact CB-CD2 3.58Å; H187-Y235 HydrophobicContact CB-CE2 3.99Å; H187-Y235 AromaticContact CG-CD2 3.74Å; H187-Y235 AromaticContact CG-CE2 3.71Å; H187-Y235 AromaticContact ND1-CE2 3.71Å; S190-Y235 VanDerWaalsContact C-CD1 3.49Å; S190-Y235 VanDerWaalsContact CB-CD1 3.43Å; S190-Y235 WeakPolarHBondContact O-CB 3.49Å; S190-Y235 VanDerWaalsContact O-CD1 3.24Å; S190-Y235 WeakPolarHBondContact O-CD1 3.49Å; S190-Y235 VanDerWaalsContact OG-CE1 3.3Å; S190-Y235 WeakPolarHBondContact OG-CE1 3.5Å; I230-Y235 WeakPolarHBondContact CA-O 3.24Å; D231-Y235 PolarHBondContact N-O 3.32Å; D231-Y235 VanDerWaalsContact N-O 3.09Å; D231-Y235 WeakPolarHBondContact OD1-CB 3.48Å; D231-Y235 PolarHBondContact OD1-N 3.08Å; N233-Y235 HydrophobicContact CB-CD1 4.26Å; N233-Y235 HydrophobicContact CB-CD2 3.7Å; N233-Y235 HydrophobicContact CB-CE1 4.15Å; N233-Y235 HydrophobicContact CB-CE2 3.6Å; N233-Y235 HydrophobicContact CB-CG 4.06Å; N233-Y235 PolarHBondContact O-N 2.89Å
236	E	94.2	Very high	95.9	Very high	70 Å²	70	30.6 Å²	30.6	33%	0.327	15%	0.152	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	138.1	-177	-170	-173	154.6	0	0	110.8	L72 M192 P238	L72-E236 HydrophobicContact CD2-CG 3.97Å; M192-E236 PolarHBondContact N-O 2.86Å; M192-E236 VanDerWaalsContact N-O 3.13Å; E236-P238 HydrophobicContact CG-CG 4.1Å; E236-P238 WeakPolarHBondContact O-CD 3.02Å; E236-P238 WeakPolarHBondContact OE1-CA 3.32Å; E236-P238 WeakPolarHBondContact OE1-CB 3.3Å; E236-P238 WeakPolarHBondContact OE1-CG 3.22Å
237	K	94.9	Very high	96	Very high	16 Å²	16	30.1 Å²	30.1	7%	0.07	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	97.5	155.4	-171.4	73.2	179.6	-131.1	0	108.9	M192 G194 T228 Y229 I239	M192-K237 HydrophobicContact CB-CB 4.09Å; M192-K237 HydrophobicContact CB-CD 4.37Å; M192-K237 HydrophobicContact CG-CB 4.4Å; M192-K237 VanDerWaalsContact O-CD 3.27Å; M192-K237 WeakPolarHBondContact O-CD 3.3Å; M192-K237 HydrophobicContact SD-CB 4.17Å; G194-K237 PolarHBondContact O-NZ 3.48Å; T228-K237 WeakPolarHBondContact CA-O 3.29Å; Y229-K237 HydrophobicContact CD1-CB 4.17Å; Y229-K237 HydrophobicContact CD1-CG 4.42Å; Y229-K237 HydrophobicContact CD2-CB 3.93Å; Y229-K237 HydrophobicContact CE1-CB 3.91Å; Y229-K237 HydrophobicContact CE1-CG 3.76Å; Y229-K237 HydrophobicContact CE2-CB 3.63Å; Y229-K237 HydrophobicContact CE2-CG 4.11Å; Y229-K237 HydrophobicContact CG-CB 4.19Å; Y229-K237 PolarHBondContact N-O 2.87Å; Y229-K237 PolarHBondContact O-N 3.18Å; K237-I239 VanDerWaalsContact C-N 3.27Å; K237-I239 WeakPolarHBondContact CE-O 3.5Å; K237-I239 PolarHBondContact O-N 2.97Å
238	P	92.5	Very high	96.1	Very high	57 Å²	57	30.1 Å²	30.1	37%	0.37	15%	0.149	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	-35.4	-176.9	-22.5	31.1	0	0	0	112.6	K216 T228 E236	K216-P238 PolarHBondContact NZ-O 2.84Å; T228-P238 PolarHBondContact OG1-O 3.23Å; E236-P238 HydrophobicContact CG-CG 4.1Å; E236-P238 WeakPolarHBondContact O-CD 3.02Å; E236-P238 WeakPolarHBondContact OE1-CA 3.32Å; E236-P238 WeakPolarHBondContact OE1-CB 3.3Å; E236-P238 WeakPolarHBondContact OE1-CG 3.22Å
239	I	93	Very high	96.2	Very high	84 Å²	84	30.2 Å²	30.2	43%	0.431	15%	0.149	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	107.9	175.3	-53.7	178.1	0	0	0	107.6	Y68 K216 L227 K237	Y68-I239 HydrophobicContact CE1-CD1 4.09Å; K216-I239 HydrophobicContact CD-CG1 4.01Å; L227-I239 CarbonylContact O-C 3.54Å; L227-I239 WeakPolarHBondContact O-CA 3.32Å; K237-I239 VanDerWaalsContact C-N 3.27Å; K237-I239 WeakPolarHBondContact CE-O 3.5Å; K237-I239 PolarHBondContact O-N 2.97Å
240	G	94.4	Very high	96.3	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	134	166.7	0	0	0	0	0	109.6	S226 L227	S226-G240 CarbonylContact C-O 3.26Å; S226-G240 WeakPolarHBondContact CA-O 3.48Å; L227-G240 PolarHBondContact N-O 3.4Å; L227-G240 PolarHBondContact O-N 2.7Å
241	G	95.7	Very high	96.4	Very high	4 Å²	4	29.8 Å²	29.8	4%	0.041	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	144.1	-177.1	0	0	0	0	0	112.1	H196 L225	H196-G241 WeakPolarHBondContact CA-O 3.35Å; H196-G241 PolarHBondContact ND1-O 2.7Å; L225-G241 WeakPolarHBondContact O-CA 3.33Å
242	F	98.2	Very high	96.6	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	161.7	179.8	47.3	-103.7	0	0	0	110.6	L80 H196 W198 F201 L225 L227 V244	L80-F242 HydrophobicContact CD2-CE2 4.32Å; L80-F242 HydrophobicContact CD2-CZ 3.92Å; H196-F242 WeakPolarHBondContact O-CB 3.47Å; W198-F242 HydrophobicContact CB-CD2 3.62Å; W198-F242 HydrophobicContact CB-CE2 3.99Å; W198-F242 HydrophobicContact CB-CG 4.26Å; F201-F242 HydrophobicContact CB-CE1 4.06Å; F201-F242 HydrophobicContact CB-CZ 4.23Å; F201-F242 HydrophobicContact CD1-CE1 4.48Å; F201-F242 HydrophobicContact CD1-CZ 4.13Å; F201-F242 AromaticContact CD2-CE1 3.57Å; F201-F242 HydrophobicContact CD2-CE1 3.57Å; F201-F242 HydrophobicContact CD2-CZ 4.02Å; F201-F242 HydrophobicContact CE2-CE1 4.09Å; F201-F242 HydrophobicContact CE2-CZ 4.41Å; F201-F242 AromaticContact CG-CE1 3.77Å; F201-F242 HydrophobicContact CG-CE1 3.77Å; F201-F242 AromaticContact CG-CZ 3.85Å; F201-F242 HydrophobicContact CG-CZ 3.85Å; L225-F242 HydrophobicContact CB-CE2 4.49Å; L225-F242 HydrophobicContact CD1-CE2 4.19Å; L225-F242 PolarHBondContact N-O 3.26Å; L225-F242 VanDerWaalsContact N-O 3.11Å; L225-F242 PolarHBondContact O-N 3.2Å; L227-F242 HydrophobicContact CD1-CE1 3.82Å; L227-F242 HydrophobicContact CD1-CE2 4.25Å; L227-F242 HydrophobicContact CD1-CZ 3.39Å; L227-F242 HydrophobicContact CG-CZ 4.47Å; F242-V244 HydrophobicContact CD2-CG2 3.73Å; F242-V244 HydrophobicContact CE2-CG2 3.62Å
243	F	98	Very high	96.8	Very high	3 Å²	3	24.9 Å²	24.9	1%	0.013	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	104.9	176.4	-167.6	-92.5	0	0	0	109.6	Y45 R223 L224 G245 S246 I276 M293	Y45-F243 HydrophobicContact CE2-CE1 4.08Å; Y45-F243 HydrophobicContact CE2-CZ 4.09Å; R223-F243 HydrophobicContact CB-CD2 4.43Å; R223-F243 HydrophobicContact CB-CE1 4.39Å; R223-F243 HydrophobicContact CB-CE2 4.04Å; R223-F243 HydrophobicContact CB-CZ 4.03Å; R223-F243 CarbonylContact O-C 3.57Å; R223-F243 WeakPolarHBondContact O-CA 3.09Å; L224-F243 HydrophobicContact CB-CD2 4.09Å; L224-F243 HydrophobicContact CB-CE2 4.49Å; L224-F243 HydrophobicContact CD1-CD2 4.1Å; F243-G245 PolarHBondContact O-N 2.77Å; F243-S246 PolarHBondContact O-OG 3.4Å; F243-I276 HydrophobicContact CD2-CD1 4.27Å; F243-I276 HydrophobicContact CE2-CD1 4.02Å; F243-M293 HydrophobicContact CB-CE 3.63Å; F243-M293 HydrophobicContact CB-SD 4.16Å; F243-M293 HydrophobicContact CD2-SD 4.49Å; F243-M293 HydrophobicContact CG-CE 4.3Å; F243-M293 HydrophobicContact CG-SD 4.4Å
244	V	98.5	Very high	97	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	130.7	-179.5	-171	0	0	0	0	110	Y58 L60 F81 W198 R223 L225 F242	Y58-V244 HydrophobicContact CD2-CG1 3.95Å; Y58-V244 HydrophobicContact CE1-CG1 4.26Å; Y58-V244 HydrophobicContact CE2-CB 4.47Å; Y58-V244 HydrophobicContact CE2-CG1 3.42Å; Y58-V244 VanDerWaalsContact CE2-CG1 3.42Å; L60-V244 HydrophobicContact CD1-CG2 4.43Å; L60-V244 HydrophobicContact CD2-CG1 4.36Å; F81-V244 HydrophobicContact CE1-CG1 4Å; F81-V244 HydrophobicContact CZ-CG1 4.25Å; W198-V244 HydrophobicContact CB-CG2 4.26Å; W198-V244 HydrophobicContact CD2-CG1 4.46Å; W198-V244 HydrophobicContact CG-CG1 4.44Å; R223-V244 PolarHBondContact O-N 2.74Å; L225-V244 HydrophobicContact CD1-CG2 3.7Å; L225-V244 HydrophobicContact CG-CG2 4.18Å; F242-V244 HydrophobicContact CD2-CG2 3.73Å; F242-V244 HydrophobicContact CE2-CG2 3.62Å
245	G	97.9	Very high	97.2	Very high	5 Å²	5	14 Å²	14	5%	0.052	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	96	-5	171	0	0	0	0	0	115.4	A51 V52 F243	A51-G245 WeakPolarHBondContact CA-O 3.45Å; V52-G245 VanDerWaalsContact CG2-CA 3.41Å; V52-G245 PolarHBondContact N-O 3.06Å; F243-G245 PolarHBondContact O-N 2.77Å
246	S	98.2	Very high	97.3	Very high	2 Å²	2	11.7 Å²	11.7	1%	0.014	6%	0.064	C	C	.	.			trans	-66.2	149.5	168	48.1	0	0	0	0	111.7	W198 F243 F250 D251	W198-S246 PolarHBondContact NE1-O 3.34Å; F243-S246 PolarHBondContact O-OG 3.4Å; S246-F250 VanDerWaalsContact CB-CD1 3.48Å; S246-D251 VanDerWaalsContact CB-OD1 3.23Å; S246-D251 WeakPolarHBondContact CB-OD1 3.49Å; S246-D251 PolarHBondContact OG-OD1 2.85Å; S246-D251 PolarHBondContact OG-OD2 2.97Å
247	S	98.7	Very high	97.5	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	5%	0.048	C	C	.	.			trans	-77.8	158.3	166.5	65.8	0	0	0	0	112	D48 E249 F250 D251	D48-S247 WeakPolarHBondContact OD1-CB 3.31Å; D48-S247 PolarHBondContact OD1-OG 3.39Å; D48-S247 PolarHBondContact OD2-N 3.32Å; D48-S247 VanDerWaalsContact OD2-N 3.16Å; D48-S247 PolarHBondContact OD2-OG 3.39Å; S247-E249 VanDerWaalsContact CB-CD 3.43Å; S247-E249 VanDerWaalsContact CB-OE2 3.29Å; S247-E249 WeakPolarHBondContact CB-OE2 3.45Å; S247-E249 PolarHBondContact O-N 2.79Å; S247-E249 VanDerWaalsContact OG-CG 3.24Å; S247-E249 WeakPolarHBondContact OG-CG 3.2Å; S247-E249 PolarHBondContact OG-OE2 3.41Å; S247-F250 PolarHBondContact O-N 2.78Å; S247-F250 VanDerWaalsContact O-N 3.11Å; S247-F250 PolarHBondContact OG-N 3.06Å; S247-D251 PolarHBondContact O-N 3.39Å; S247-D251 VanDerWaalsContact O-N 3.16Å
248	P	98.8	Very high	97.7	Very high	0 Å²	0	7.6 Å²	7.6	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-53.7	-40	172.8	-27	35.1	0	0	0	113.1	F95 F98 F126 I199 F250 D251 I252	F95-P248 HydrophobicContact CD1-CG 4.5Å; F95-P248 HydrophobicContact CD2-CG 4.26Å; F95-P248 VanDerWaalsContact CE2-CD 3.42Å; F95-P248 HydrophobicContact CE2-CG 4.49Å; F95-P248 HydrophobicContact CG-CG 4.28Å; F98-P248 HydrophobicContact CB-CB 4Å; F98-P248 HydrophobicContact CB-CG 3.78Å; F98-P248 HydrophobicContact CD1-CG 4.29Å; F98-P248 HydrophobicContact CD2-CB 3.96Å; F98-P248 HydrophobicContact CD2-CG 4.32Å; F98-P248 HydrophobicContact CG-CB 4.01Å; F98-P248 HydrophobicContact CG-CG 3.88Å; F126-P248 HydrophobicContact CE2-CB 4Å; F126-P248 HydrophobicContact CZ-CB 4.07Å; I199-P248 HydrophobicContact CD1-CG 3.83Å; P248-F250 PolarHBondContact O-N 3.37Å; P248-D251 PolarHBondContact O-N 3.27Å; P248-I252 WeakPolarHBondContact O-CB 3.47Å; P248-I252 WeakPolarHBondContact O-CG1 3.28Å; P248-I252 PolarHBondContact O-N 2.96Å
249	E	98.8	Very high	98	Very high	3 Å²	3	5.5 Å²	5.5	1%	0.014	3%	0.03	C	C	.	.	H	α-helix	trans	-66.6	-34	177.9	61.4	-90.7	-139.2	0	0	113.1	N50 T94 L130 T133 I135 M136 S247 A253	N50-E249 WeakPolarHBondContact CB-OE1 3.38Å; N50-E249 PolarHBondContact ND2-OE1 3.17Å; T94-E249 WeakPolarHBondContact CB-OE2 3.31Å; T94-E249 WeakPolarHBondContact CG2-OE2 3.36Å; T94-E249 PolarHBondContact OG1-OE1 3.37Å; T94-E249 PolarHBondContact OG1-OE2 3.4Å; L130-E249 HydrophobicContact CD2-CB 3.53Å; T133-E249 HydrophobicContact CG2-CB 4.07Å; T133-E249 HydrophobicContact CG2-CG 3.86Å; I135-E249 HydrophobicContact CB-CG 4.41Å; I135-E249 HydrophobicContact CD1-CG 4.22Å; M136-E249 HydrophobicContact CE-CB 4.11Å; M136-E249 WeakPolarHBondContact CE-O 3.44Å; S247-E249 VanDerWaalsContact CB-CD 3.43Å; S247-E249 VanDerWaalsContact CB-OE2 3.29Å; S247-E249 WeakPolarHBondContact CB-OE2 3.45Å; S247-E249 PolarHBondContact O-N 2.79Å; S247-E249 VanDerWaalsContact OG-CG 3.24Å; S247-E249 WeakPolarHBondContact OG-CG 3.2Å; S247-E249 PolarHBondContact OG-OE2 3.41Å; E249-A253 VanDerWaalsContact O-CB 3.29Å; E249-A253 WeakPolarHBondContact O-CB 3.46Å; E249-A253 PolarHBondContact O-N 2.74Å
250	F	98.8	Very high	98.2	Very high	1 Å²	1	2.4 Å²	2.4	0%	0.004	2%	0.017	C	C	.	.	H	α-helix	trans	-66	-49.9	174.5	176.7	-92.5	0	0	0	111.1	L44 Y45 D48 I135 S246 S247 P248 I252 A253 V254 I271 M293	L44-F250 HydrophobicContact CB-CD2 4.24Å; L44-F250 HydrophobicContact CB-CE2 4.17Å; Y45-F250 HydrophobicContact CD2-CE2 4.32Å; Y45-F250 HydrophobicContact CD2-CZ 4.3Å; D48-F250 WeakPolarHBondContact OD2-CB 3.39Å; I135-F250 HydrophobicContact CD1-CB 4.02Å; I135-F250 HydrophobicContact CD1-CD2 4.27Å; S246-F250 VanDerWaalsContact CB-CD1 3.48Å; S247-F250 PolarHBondContact O-N 2.78Å; S247-F250 VanDerWaalsContact O-N 3.11Å; S247-F250 PolarHBondContact OG-N 3.06Å; P248-F250 PolarHBondContact O-N 3.37Å; F250-I252 PolarHBondContact O-N 2.73Å; F250-A253 PolarHBondContact O-N 2.99Å; F250-V254 HydrophobicContact CD1-CG2 4.2Å; F250-V254 HydrophobicContact CD2-CG2 4.37Å; F250-V254 HydrophobicContact CE1-CG2 3.79Å; F250-V254 HydrophobicContact CE2-CG2 3.94Å; F250-V254 HydrophobicContact CZ-CG2 3.65Å; F250-V254 WeakPolarHBondContact O-CG2 3.49Å; F250-V254 PolarHBondContact O-N 3.16Å; F250-I271 HydrophobicContact CZ-CD1 4.37Å; F250-M293 HydrophobicContact CE1-CE 4.1Å; F250-M293 HydrophobicContact CE1-SD 4.31Å
251	D	98.8	Very high	98.3	Very high	0 Å²	0	3.8 Å²	3.8	0%	0	2%	0.024	C	C	.	.	H	α-helix	trans	-59.2	-48.6	178.5	-75.2	-5.8	0	0	0	110.6	F183 N197 S246 S247 P248 A253 V254 Y255	F183-D251 HydrophobicContact CE1-CB 3.86Å; F183-D251 HydrophobicContact CZ-CB 4.13Å; N197-D251 PolarHBondContact ND2-OD2 2.85Å; S246-D251 VanDerWaalsContact CB-OD1 3.23Å; S246-D251 WeakPolarHBondContact CB-OD1 3.49Å; S246-D251 PolarHBondContact OG-OD1 2.85Å; S246-D251 PolarHBondContact OG-OD2 2.97Å; S247-D251 PolarHBondContact O-N 3.39Å; S247-D251 VanDerWaalsContact O-N 3.16Å; P248-D251 PolarHBondContact O-N 3.27Å; D251-A253 VanDerWaalsContact C-N 3.34Å; D251-A253 PolarHBondContact O-N 3.46Å; D251-V254 PolarHBondContact O-N 2.96Å; D251-Y255 HydrophobicContact CB-CD2 4.31Å; D251-Y255 HydrophobicContact CB-CE2 3.92Å; D251-Y255 WeakPolarHBondContact O-CB 3.3Å; D251-Y255 WeakPolarHBondContact O-CD2 3.41Å; D251-Y255 PolarHBondContact O-N 3.14Å
252	I	98.9	Very high	98.3	Very high	0 Å²	0	7.4 Å²	7.4	0%	0	4%	0.037	C	C	.	.	H	α-helix	trans	-58.3	-44	177.1	-69.5	-73.2	0	0	0	111.1	F126 L130 M136 L160 W164 F183 P248 F250 T256	F126-I252 HydrophobicContact CE1-CD1 4.37Å; F126-I252 HydrophobicContact CE1-CG1 4.32Å; F126-I252 HydrophobicContact CZ-CG1 4.19Å; L130-I252 HydrophobicContact CD1-CB 4.47Å; L130-I252 HydrophobicContact CD1-CG1 4.33Å; L130-I252 HydrophobicContact CD1-CG2 3.94Å; M136-I252 HydrophobicContact CE-CG2 4.35Å; M136-I252 HydrophobicContact SD-CG2 4.42Å; L160-I252 HydrophobicContact CD2-CG2 4.35Å; W164-I252 HydrophobicContact CD2-CD1 3.7Å; W164-I252 HydrophobicContact CE3-CD1 4.12Å; W164-I252 HydrophobicContact CG-CD1 4.16Å; W164-I252 HydrophobicContact CH2-CD1 4.12Å; W164-I252 HydrophobicContact CZ2-CD1 3.73Å; W164-I252 HydrophobicContact CZ2-CG2 4.48Å; W164-I252 HydrophobicContact CZ3-CD1 4.32Å; F183-I252 HydrophobicContact CE2-CD1 3.46Å; F183-I252 VanDerWaalsContact CE2-CD1 3.46Å; F183-I252 HydrophobicContact CE2-CG1 4.37Å; F183-I252 HydrophobicContact CZ-CD1 3.69Å; F183-I252 HydrophobicContact CZ-CG1 4.13Å; P248-I252 WeakPolarHBondContact O-CB 3.47Å; P248-I252 WeakPolarHBondContact O-CG1 3.28Å; P248-I252 PolarHBondContact O-N 2.96Å; F250-I252 PolarHBondContact O-N 2.73Å; I252-T256 WeakPolarHBondContact O-CB 3.36Å; I252-T256 PolarHBondContact O-N 2.7Å; I252-T256 PolarHBondContact O-OG1 2.96Å
253	A	98.9	Very high	98.2	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-61.5	-51.3	178.4	0	0	0	0	0	112.2	L44 I135 M136 T139 E249 F250 D251 Y255 T256 V257	L44-A253 HydrophobicContact CD1-CB 3.68Å; I135-A253 HydrophobicContact CG2-CB 3.49Å; I135-A253 VanDerWaalsContact CG2-CB 3.49Å; M136-A253 HydrophobicContact CE-CB 3.5Å; M136-A253 VanDerWaalsContact CE-CB 3.5Å; T139-A253 HydrophobicContact CG2-CB 4.4Å; T139-A253 VanDerWaalsContact OG1-CB 3.26Å; T139-A253 WeakPolarHBondContact OG1-CB 3.47Å; E249-A253 VanDerWaalsContact O-CB 3.29Å; E249-A253 WeakPolarHBondContact O-CB 3.46Å; E249-A253 PolarHBondContact O-N 2.74Å; F250-A253 PolarHBondContact O-N 2.99Å; D251-A253 VanDerWaalsContact C-N 3.34Å; D251-A253 PolarHBondContact O-N 3.46Å; A253-Y255 VanDerWaalsContact C-N 3.35Å; A253-Y255 PolarHBondContact O-N 3.31Å; A253-T256 PolarHBondContact O-N 3.09Å; A253-V257 WeakPolarHBondContact O-CG2 3.38Å; A253-V257 PolarHBondContact O-N 3Å
254	V	98.9	Very high	98	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-58.4	-51.3	-176.6	170.2	0	0	0	0	109.7	Y41 F250 D251 V257 A258 I278 M293	Y41-V254 HydrophobicContact CD1-CB 4.49Å; Y41-V254 HydrophobicContact CD1-CG2 3.87Å; Y41-V254 HydrophobicContact CE1-CB 4.21Å; Y41-V254 HydrophobicContact CE1-CG1 4.21Å; Y41-V254 HydrophobicContact CE1-CG2 4.08Å; Y41-V254 HydrophobicContact CE2-CG1 4.43Å; Y41-V254 HydrophobicContact CG-CG2 4.41Å; Y41-V254 PolarHBondContact OH-O 3.35Å; F250-V254 HydrophobicContact CD1-CG2 4.2Å; F250-V254 HydrophobicContact CD2-CG2 4.37Å; F250-V254 HydrophobicContact CE1-CG2 3.79Å; F250-V254 HydrophobicContact CE2-CG2 3.94Å; F250-V254 HydrophobicContact CZ-CG2 3.65Å; F250-V254 WeakPolarHBondContact O-CG2 3.49Å; F250-V254 PolarHBondContact O-N 3.16Å; D251-V254 PolarHBondContact O-N 2.96Å; V254-V257 PolarHBondContact O-N 3.23Å; V254-A258 VanDerWaalsContact O-CB 3.27Å; V254-A258 WeakPolarHBondContact O-CB 3.27Å; V254-A258 PolarHBondContact O-N 2.98Å; V254-I278 HydrophobicContact CG1-CD1 3.66Å; V254-I278 HydrophobicContact CG1-CG1 4.42Å; V254-M293 HydrophobicContact CG1-CG 4.48Å; V254-M293 HydrophobicContact CG1-SD 4.28Å
255	Y	98.8	Very high	97.8	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-68.7	-39.3	-177.8	-59.5	-29.8	0	0	0	112.8	W164 V182 F183 D251 A253 V257 A258 F259 C291 Y292 M293	W164-Y255 AromaticContact CH2-CD2 3.97Å; W164-Y255 HydrophobicContact CH2-CD2 3.97Å; W164-Y255 HydrophobicContact CH2-CG 4.26Å; V182-Y255 HydrophobicContact CG1-CD2 4.02Å; V182-Y255 HydrophobicContact CG1-CE2 3.95Å; F183-Y255 HydrophobicContact CE1-CE2 4.28Å; F183-Y255 AromaticContact CZ-CD2 3.98Å; F183-Y255 HydrophobicContact CZ-CD2 3.98Å; F183-Y255 HydrophobicContact CZ-CE2 4.17Å; D251-Y255 HydrophobicContact CB-CD2 4.31Å; D251-Y255 HydrophobicContact CB-CE2 3.92Å; D251-Y255 WeakPolarHBondContact O-CB 3.3Å; D251-Y255 WeakPolarHBondContact O-CD2 3.41Å; D251-Y255 PolarHBondContact O-N 3.14Å; A253-Y255 VanDerWaalsContact C-N 3.35Å; A253-Y255 PolarHBondContact O-N 3.31Å; Y255-V257 PolarHBondContact O-N 2.69Å; Y255-A258 PolarHBondContact O-N 2.88Å; Y255-F259 VanDerWaalsContact O-CB 3.28Å; Y255-F259 WeakPolarHBondContact O-CB 3.39Å; Y255-F259 PolarHBondContact O-N 2.87Å; Y255-C291 HydrophobicContact CD1-CB 4.15Å; Y255-C291 HydrophobicContact CG-CB 4.24Å; Y255-Y292 VanDerWaalsContact CE1-CA 3.47Å; Y255-M293 HydrophobicContact CE1-CE 4.06Å; Y255-M293 HydrophobicContact CE1-CG 3.95Å; Y255-M293 WeakPolarHBondContact OH-CE 3.39Å; Y255-M293 PolarHBondContact OH-N 3.25Å
256	T	98.7	Very high	97.7	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-60.6	-46.6	175.9	-61.5	0	0	0	0	111.1	L143 F159 L160 L163 W164 I252 A253 A260	L143-T256 HydrophobicContact CD1-CG2 3.98Å; F159-T256 HydrophobicContact CE1-CG2 3.75Å; F159-T256 HydrophobicContact CZ-CG2 4.47Å; L160-T256 HydrophobicContact CD2-CG2 3.81Å; L163-T256 HydrophobicContact CD2-CG2 3.87Å; W164-T256 PolarHBondContact NE1-OG1 2.78Å; I252-T256 WeakPolarHBondContact O-CB 3.36Å; I252-T256 PolarHBondContact O-N 2.7Å; I252-T256 PolarHBondContact O-OG1 2.96Å; A253-T256 PolarHBondContact O-N 3.09Å; T256-A260 WeakPolarHBondContact O-CB 3.37Å; T256-A260 PolarHBondContact O-N 3.48Å
257	V	98.8	Very high	97.7	Very high	0 Å²	0	18 Å²	18	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-67.9	-43.7	179.2	171.7	0	0	0	0	111.6	L37 F40 Y41 T139 F142 L143 A253 V254 Y255 F259 A260 L261	L37-V257 HydrophobicContact CD2-CG1 3.71Å; F40-V257 HydrophobicContact CE1-CG1 4.49Å; F40-V257 HydrophobicContact CE1-CG2 3.98Å; Y41-V257 HydrophobicContact CE1-CB 4.05Å; Y41-V257 HydrophobicContact CE1-CG1 4.1Å; T139-V257 HydrophobicContact CG2-CG2 3.74Å; F142-V257 HydrophobicContact CD1-CG1 3.87Å; F142-V257 HydrophobicContact CD1-CG2 4.23Å; F142-V257 HydrophobicContact CE1-CG1 3.55Å; L143-V257 HydrophobicContact CD1-CG2 4.4Å; L143-V257 HydrophobicContact CD2-CG2 4.1Å; L143-V257 HydrophobicContact CG-CG2 4.15Å; A253-V257 WeakPolarHBondContact O-CG2 3.38Å; A253-V257 PolarHBondContact O-N 3Å; V254-V257 PolarHBondContact O-N 3.23Å; Y255-V257 PolarHBondContact O-N 2.69Å; V257-F259 PolarHBondContact O-N 3.32Å; V257-A260 PolarHBondContact O-N 2.93Å; V257-L261 HydrophobicContact CG1-CD1 4.19Å; V257-L261 WeakPolarHBondContact O-CG 3.41Å; V257-L261 PolarHBondContact O-N 3.46Å; V257-L261 VanDerWaalsContact O-N 3.15Å
258	A	98.3	Very high	97.6	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-60.2	-48.4	179.6	0	0	0	0	0	110.7	Y41 V254 Y255 L261 Y262 F267 I278 C280	Y41-A258 PolarHBondContact OH-N 3.06Å; V254-A258 VanDerWaalsContact O-CB 3.27Å; V254-A258 WeakPolarHBondContact O-CB 3.27Å; V254-A258 PolarHBondContact O-N 2.98Å; Y255-A258 PolarHBondContact O-N 2.88Å; A258-L261 PolarHBondContact O-N 3.29Å; A258-Y262 CarbonylContact O-C 3.58Å; A258-Y262 WeakPolarHBondContact O-CA 3.24Å; A258-Y262 PolarHBondContact O-N 3.21Å; A258-F267 HydrophobicContact CB-CE1 4.21Å; A258-F267 HydrophobicContact CB-CZ 3.78Å; A258-I278 HydrophobicContact CB-CG2 3.59Å; A258-C280 VanDerWaalsContact CB-SG 3.52Å
259	F	98.2	Very high	97.6	Very high	14 Å²	14	18.2 Å²	18.2	6%	0.061	11%	0.109	C	C	.	.	H	α-helix	trans	-66.5	-43.1	179.5	-175.1	-103.7	0	0	0	112.4	L163 Y255 V257 L261 P263 C280 E282 M288	L163-F259 HydrophobicContact CD1-CD1 3.62Å; L163-F259 HydrophobicContact CD1-CE1 3.7Å; Y255-F259 VanDerWaalsContact O-CB 3.28Å; Y255-F259 WeakPolarHBondContact O-CB 3.39Å; Y255-F259 PolarHBondContact O-N 2.87Å; V257-F259 PolarHBondContact O-N 3.32Å; F259-L261 PolarHBondContact O-N 3.46Å; F259-P263 HydrophobicContact CD2-CB 3.89Å; F259-P263 HydrophobicContact CE2-CB 3.6Å; F259-P263 HydrophobicContact CZ-CB 4.02Å; F259-P263 WeakPolarHBondContact O-CA 3.41Å; F259-P263 WeakPolarHBondContact O-CB 3.3Å; F259-P263 WeakPolarHBondContact O-CD 3.33Å; F259-C280 HydrophobicContact CD2-CB 4.15Å; F259-C280 PolarHBondContact N-SG 3.41Å; F259-E282 HydrophobicContact CE2-CB 3.73Å; F259-E282 HydrophobicContact CZ-CB 3.93Å; F259-M288 HydrophobicContact CB-SD 3.71Å; F259-M288 HydrophobicContact CD1-CB 4.01Å; F259-M288 HydrophobicContact CD1-CG 4.49Å; F259-M288 HydrophobicContact CD1-SD 4.34Å; F259-M288 HydrophobicContact CD2-CB 3.79Å; F259-M288 HydrophobicContact CD2-CG 3.61Å; F259-M288 HydrophobicContact CD2-SD 3.84Å; F259-M288 HydrophobicContact CE1-CB 3.83Å; F259-M288 HydrophobicContact CE2-CB 3.61Å; F259-M288 HydrophobicContact CE2-CG 3.83Å; F259-M288 HydrophobicContact CG-CB 4Å; F259-M288 HydrophobicContact CG-CG 3.98Å; F259-M288 HydrophobicContact CG-SD 3.69Å; F259-M288 VanDerWaalsContact CZ-CA 3.45Å; F259-M288 HydrophobicContact CZ-CB 3.63Å; F259-M288 HydrophobicContact CZ-CG 4.36Å
260	A	97.6	Very high	97.6	Very high	19 Å²	19	21 Å²	21	16%	0.157	12%	0.123	C	C	.	.	H	α-helix	trans	-62.1	-30.6	179.9	0	0	0	0	0	113.2	L143 K148 T256 V257	L143-A260 HydrophobicContact CD2-CB 3.83Å; K148-A260 HydrophobicContact CB-CB 4.41Å; K148-A260 WeakPolarHBondContact CD-O 3.41Å; K148-A260 VanDerWaalsContact CE-O 3.22Å; K148-A260 WeakPolarHBondContact CE-O 3.5Å; K148-A260 HydrophobicContact CG-CB 4.41Å; K148-A260 PolarHBondContact NZ-O 2.74Å; T256-A260 WeakPolarHBondContact O-CB 3.37Å; T256-A260 PolarHBondContact O-N 3.48Å; V257-A260 PolarHBondContact O-N 2.93Å
261	L	97.1	Very high	97.5	Very high	28 Å²	28	21 Å²	21	15%	0.147	12%	0.124	C	C	.	.	H	α-helix	trans	-93.8	-38.9	179.1	-62.9	-171.7	0	0	0	113.3	L37 F142 K146 K148 V257 A258 F259	L37-L261 HydrophobicContact CD1-CD1 4.36Å; L37-L261 HydrophobicContact CD2-CD1 3.95Å; L37-L261 HydrophobicContact CG-CD1 4.47Å; F142-L261 HydrophobicContact CE1-CD1 4.02Å; F142-L261 HydrophobicContact CZ-CD1 4.47Å; K146-L261 HydrophobicContact CB-CD2 4.08Å; K146-L261 HydrophobicContact CD-CD2 4.32Å; K146-L261 HydrophobicContact CG-CD2 4.19Å; K148-L261 HydrophobicContact CD-CD2 4.33Å; K148-L261 HydrophobicContact CG-CD2 3.86Å; V257-L261 HydrophobicContact CG1-CD1 4.19Å; V257-L261 WeakPolarHBondContact O-CG 3.41Å; V257-L261 PolarHBondContact O-N 3.46Å; V257-L261 VanDerWaalsContact O-N 3.15Å; A258-L261 PolarHBondContact O-N 3.29Å; F259-L261 PolarHBondContact O-N 3.46Å
262	Y	96.4	Very high	97.4	Very high	81 Å²	81	23.4 Å²	23.4	32%	0.318	14%	0.143	S	C	.	.			trans	-139.5	64.9	-168	-55.1	-70.9	0	0	0	111.4	N34 L37 A258 T264 S265 F267	N34-Y262 WeakPolarHBondContact ND2-CE2 3.42Å; N34-Y262 PolarHBondContact ND2-OH 2.9Å; L37-Y262 HydrophobicContact CD1-CD2 4.07Å; L37-Y262 HydrophobicContact CD1-CE2 3.67Å; A258-Y262 CarbonylContact O-C 3.58Å; A258-Y262 WeakPolarHBondContact O-CA 3.24Å; A258-Y262 PolarHBondContact O-N 3.21Å; Y262-T264 PolarHBondContact O-N 3.22Å; Y262-T264 VanDerWaalsContact O-N 3.12Å; Y262-S265 PolarHBondContact O-N 2.76Å; Y262-F267 HydrophobicContact CD2-CD1 4.02Å; Y262-F267 AromaticContact CD2-CE1 3.63Å; Y262-F267 HydrophobicContact CD2-CE1 3.63Å; Y262-F267 AromaticContact CD2-CZ 3.94Å; Y262-F267 HydrophobicContact CD2-CZ 3.94Å; Y262-F267 HydrophobicContact CG-CD1 4.14Å; Y262-F267 AromaticContact CG-CE1 4Å; Y262-F267 HydrophobicContact CG-CE1 4Å
263	P	95.8	Very high	97.3	Very high	35 Å²	35	26.5 Å²	26.5	23%	0.227	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-19.8	-169.8	25.7	-35.2	0	0	0	114.6	F259 C280 H281 E282	F259-P263 HydrophobicContact CD2-CB 3.89Å; F259-P263 HydrophobicContact CE2-CB 3.6Å; F259-P263 HydrophobicContact CZ-CB 4.02Å; F259-P263 WeakPolarHBondContact O-CA 3.41Å; F259-P263 WeakPolarHBondContact O-CB 3.3Å; F259-P263 WeakPolarHBondContact O-CD 3.33Å; P263-C280 CarbonylContact O-C 3.59Å; P263-H281 CarbonylContact O-C 3.44Å; P263-H281 VanDerWaalsContact O-C 3.26Å; P263-H281 VanDerWaalsContact O-CA 3.24Å; P263-H281 WeakPolarHBondContact O-CA 3.41Å; P263-H281 PolarHBondContact O-N 2.99Å; P263-E282 HydrophobicContact CB-CB 4.29Å; P263-E282 PolarHBondContact O-N 2.75Å
264	T	94.4	Very high	97.2	Very high	83 Å²	83	26.8 Å²	26.8	51%	0.509	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-131.5	34.7	-175.3	46.4	0	0	0	0	113.3	Y262 E282	Y262-T264 PolarHBondContact O-N 3.22Å; Y262-T264 VanDerWaalsContact O-N 3.12Å; T264-E282 HydrophobicContact CG2-CB 4.16Å; T264-E282 HydrophobicContact CG2-CG 3.45Å; T264-E282 VanDerWaalsContact CG2-CG 3.45Å; T264-E282 WeakPolarHBondContact CG2-OE1 3.27Å
265	S	93.2	Very high	97.2	Very high	50 Å²	50	31.6 Å²	31.6	35%	0.35	20%	0.198	S	C	.	.			trans	-132.8	158.2	-177.1	-56.6	0	0	0	0	113	Y262 C280	Y262-S265 PolarHBondContact O-N 2.76Å; S265-C280 PolarHBondContact N-O 2.86Å; S265-C280 PolarHBondContact O-N 3.25Å; S265-C280 VanDerWaalsContact O-N 3.09Å
266	A	96.1	Very high	97.1	Very high	49 Å²	49	31.6 Å²	31.6	41%	0.405	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	133.4	160.9	0	0	0	0	0	109.2	R277 I278 T279	A266-R277 HydrophobicContact CB-CG 4.35Å; A266-I278 VanDerWaalsContact CA-O 3.31Å; A266-I278 WeakPolarHBondContact CA-O 3.34Å; A266-T279 HydrophobicContact CB-CG2 4.16Å
267	F	97.3	Very high	97.1	Very high	15 Å²	15	36.6 Å²	36.6	7%	0.066	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	153.9	178.6	59.3	-87.5	0	0	0	110.8	N34 L37 A258 Y262 V269 R277 I278	N34-F267 HydrophobicContact CB-CD2 4.13Å; L37-F267 HydrophobicContact CD1-CD2 4.3Å; L37-F267 HydrophobicContact CD1-CE2 3.42Å; L37-F267 VanDerWaalsContact CD1-CE2 3.42Å; L37-F267 HydrophobicContact CD1-CZ 3.67Å; A258-F267 HydrophobicContact CB-CE1 4.21Å; A258-F267 HydrophobicContact CB-CZ 3.78Å; Y262-F267 HydrophobicContact CD2-CD1 4.02Å; Y262-F267 AromaticContact CD2-CE1 3.63Å; Y262-F267 HydrophobicContact CD2-CE1 3.63Å; Y262-F267 AromaticContact CD2-CZ 3.94Å; Y262-F267 HydrophobicContact CD2-CZ 3.94Å; Y262-F267 HydrophobicContact CG-CD1 4.14Å; Y262-F267 AromaticContact CG-CE1 4Å; Y262-F267 HydrophobicContact CG-CE1 4Å; F267-V269 HydrophobicContact CD2-CG1 3.87Å; F267-V269 HydrophobicContact CE2-CG1 3.76Å; F267-R277 WeakPolarHBondContact O-CA 3.32Å; F267-I278 HydrophobicContact CE1-CB 4.36Å; F267-I278 HydrophobicContact CE1-CG2 4.38Å; F267-I278 HydrophobicContact CE2-CB 4.15Å; F267-I278 HydrophobicContact CE2-CD1 4.11Å; F267-I278 HydrophobicContact CZ-CB 3.97Å; F267-I278 HydrophobicContact CZ-CD1 4.31Å; F267-I278 HydrophobicContact CZ-CG2 4.1Å; F267-I278 PolarHBondContact N-O 3.07Å; F267-I278 PolarHBondContact O-N 2.9Å
268	D	97.7	Very high	97	Very high	4 Å²	4	36.6 Å²	36.6	2%	0.021	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	138.8	-179.8	-67.1	-2.9	0	0	0	109.6	I33 N34 K275 I276 R277	I33-D268 HydrophobicContact CG1-CB 4.4Å; N34-D268 PolarHBondContact N-O 3.25Å; D268-K275 WeakPolarHBondContact OD2-CE 3.35Å; D268-K275 IonicContact OD2-NZ 2.92Å; D268-K275 PolarHBondContact OD2-NZ 3.4Å; D268-I276 WeakPolarHBondContact CA-O 3.48Å; D268-R277 IonicContact OD1-CZ 3.18Å; D268-R277 IonicContact OD1-NE 2.75Å; D268-R277 PolarHBondContact OD1-NE 3.14Å; D268-R277 IonicContact OD1-NH2 2.8Å; D268-R277 PolarHBondContact OD1-NH2 2.93Å; D268-R277 IonicContact OD2-NH2 3.17Å; D268-R277 PolarHBondContact OD2-NH2 2.9Å; D268-R277 VanDerWaalsContact OD2-NH2 3.17Å
269	V	98.4	Very high	97	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	158.3	171.1	-67.4	0	0	0	0	110.4	N34 L37 S38 Y41 F267 I271 K275 I276 I278	N34-V269 HydrophobicContact CB-CG1 4.18Å; L37-V269 HydrophobicContact CB-CG1 3.87Å; S38-V269 WeakPolarHBondContact OG-CA 3.48Å; Y41-V269 HydrophobicContact CD2-CB 4.39Å; Y41-V269 HydrophobicContact CD2-CG1 4.07Å; Y41-V269 HydrophobicContact CD2-CG2 4.2Å; Y41-V269 HydrophobicContact CE2-CG1 4.19Å; F267-V269 HydrophobicContact CD2-CG1 3.87Å; F267-V269 HydrophobicContact CE2-CG1 3.76Å; V269-I271 HydrophobicContact CG2-CD1 4.12Å; V269-I271 HydrophobicContact CG2-CG1 3.94Å; V269-K275 WeakPolarHBondContact O-CA 3.49Å; V269-I276 HydrophobicContact CG2-CB 4.16Å; V269-I276 PolarHBondContact N-O 3.44Å; V269-I276 PolarHBondContact O-N 2.89Å; V269-I278 HydrophobicContact CG1-CD1 4.48Å; V269-I278 HydrophobicContact CG2-CD1 3.76Å; V269-I278 HydrophobicContact CG2-CG1 4.22Å
270	N	98	Very high	97	Very high	61 Å²	61	36.6 Å²	36.6	33%	0.326	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	107.6	168.9	-172.5	-28.4	0	0	0	109.8	I33 S38 T42 G273 C274	I33-N270 HydrophobicContact CG2-CB 4.45Å; S38-N270 WeakPolarHBondContact CA-O 3.34Å; S38-N270 VanDerWaalsContact CB-O 3.3Å; S38-N270 WeakPolarHBondContact CB-O 3.4Å; S38-N270 PolarHBondContact OG-N 2.96Å; T42-N270 PolarHBondContact OG1-O 3.24Å; N270-G273 VanDerWaalsContact OD1-C 3.32Å; N270-G273 WeakPolarHBondContact OD1-CA 3.28Å; N270-G273 PolarHBondContact OD1-N 3.18Å; N270-C274 CarbonylContact C-O 3.58Å; N270-C274 WeakPolarHBondContact CA-O 3.41Å; N270-C274 PolarHBondContact OD1-N 2.92Å
271	I	98.2	Very high	97	Very high	3 Å²	3	40.1 Å²	40.1	2%	0.015	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	103.6	178.8	-55.2	-174.2	0	0	0	108.5	Y41 T42 Y45 F250 V269 G273 C274 I276	Y41-I271 HydrophobicContact CD2-CD1 4.25Å; Y41-I271 HydrophobicContact CG-CD1 4.18Å; T42-I271 WeakPolarHBondContact OG1-CA 3.24Å; Y45-I271 HydrophobicContact CD2-CG2 4.34Å; Y45-I271 HydrophobicContact CG-CG2 3.93Å; F250-I271 HydrophobicContact CZ-CD1 4.37Å; V269-I271 HydrophobicContact CG2-CD1 4.12Å; V269-I271 HydrophobicContact CG2-CG1 3.94Å; I271-G273 VanDerWaalsContact C-N 3.25Å; I271-G273 PolarHBondContact O-N 3.3Å; I271-C274 PolarHBondContact N-O 3.32Å; I271-C274 WeakPolarHBondContact O-CB 3.48Å; I271-C274 PolarHBondContact O-N 3.5Å; I271-I276 HydrophobicContact CB-CD1 4.07Å; I271-I276 HydrophobicContact CD1-CD1 3.65Å; I271-I276 HydrophobicContact CG1-CD1 3.97Å
272	A	96.5	Very high	96.9	Very high	49 Å²	49	42.5 Å²	42.5	41%	0.405	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.8	40.5	178.2	0	0	0	0	0	114.3	T42 Y45	T42-A272 HydrophobicContact CG2-CB 4.18Å; T42-A272 PolarHBondContact OG1-N 3.07Å; Y45-A272 HydrophobicContact CD1-CB 3.78Å; Y45-A272 HydrophobicContact CE1-CB 4.12Å
273	G	96.5	Very high	96.7	Very high	66 Å²	66	42.2 Å²	42.2	68%	0.68	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	93.2	-9	-178.2	0	0	0	0	0	114.5	N270 I271	N270-G273 VanDerWaalsContact OD1-C 3.32Å; N270-G273 WeakPolarHBondContact OD1-CA 3.28Å; N270-G273 PolarHBondContact OD1-N 3.18Å; I271-G273 VanDerWaalsContact C-N 3.25Å; I271-G273 PolarHBondContact O-N 3.3Å
274	C	97.4	Very high	96.5	Very high	5 Å²	5	43 Å²	43	3%	0.034	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	114.5	178.3	172.5	0	0	0	0	110.8	C220 N270 I271 I276	C220-C274 HydrophobicContact CB-CB 3.64Å; C220-C274 WeakPolarHBondContact CB-SG 3.31Å; C220-C274 VanDerWaalsContact SG-CA 3.53Å; C220-C274 WeakPolarHBondContact SG-CB 3.17Å; C220-C274 CovalentContact SG-SG 1.98Å; C220-C274 PolarHBondContact SG-SG 2.72Å; N270-C274 CarbonylContact C-O 3.58Å; N270-C274 WeakPolarHBondContact CA-O 3.41Å; N270-C274 PolarHBondContact OD1-N 2.92Å; I271-C274 PolarHBondContact N-O 3.32Å; I271-C274 WeakPolarHBondContact O-CB 3.48Å; I271-C274 PolarHBondContact O-N 3.5Å; C274-I276 HydrophobicContact CB-CD1 4.43Å; C274-I276 PolarHBondContact O-N 3.33Å; C274-I276 WeakPolarHBondContact SG-CD1 3.3Å; C274-I276 WeakPolarHBondContact SG-CG1 3.3Å
275	K	97.3	Very high	96.2	Very high	101 Å²	101	43.9 Å²	43.9	44%	0.439	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	119	173.8	-173.6	177	179.7	178.9	0	110.2	D268 V269	D268-K275 WeakPolarHBondContact OD2-CE 3.35Å; D268-K275 IonicContact OD2-NZ 2.92Å; D268-K275 PolarHBondContact OD2-NZ 3.4Å; V269-K275 WeakPolarHBondContact O-CA 3.49Å
276	I	97.8	Very high	96	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.005	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	137.5	-177.3	-64.2	159	0	0	0	109.3	L224 F243 D268 V269 I271 C274 I278 M293	L224-I276 HydrophobicContact CD2-CB 4.41Å; L224-I276 HydrophobicContact CD2-CG1 3.87Å; L224-I276 HydrophobicContact CD2-CG2 4.4Å; F243-I276 HydrophobicContact CD2-CD1 4.27Å; F243-I276 HydrophobicContact CE2-CD1 4.02Å; D268-I276 WeakPolarHBondContact CA-O 3.48Å; V269-I276 HydrophobicContact CG2-CB 4.16Å; V269-I276 PolarHBondContact N-O 3.44Å; V269-I276 PolarHBondContact O-N 2.89Å; I271-I276 HydrophobicContact CB-CD1 4.07Å; I271-I276 HydrophobicContact CD1-CD1 3.65Å; I271-I276 HydrophobicContact CG1-CD1 3.97Å; C274-I276 HydrophobicContact CB-CD1 4.43Å; C274-I276 PolarHBondContact O-N 3.33Å; C274-I276 WeakPolarHBondContact SG-CD1 3.3Å; C274-I276 WeakPolarHBondContact SG-CG1 3.3Å; I276-I278 HydrophobicContact CG2-CG1 4.18Å; I276-M293 HydrophobicContact CD1-SD 4.35Å; I276-M293 HydrophobicContact CG2-CB 3.62Å; I276-M293 HydrophobicContact CG2-CG 3.64Å; I276-M293 HydrophobicContact CG2-SD 4.29Å
277	R	97.4	Very high	96	Very high	105 Å²	105	44.8 Å²	44.8	40%	0.396	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	122.1	165.1	176	159.6	-71.1	161.2	2.7	109	A266 F267 D268 G294	A266-R277 HydrophobicContact CB-CG 4.35Å; F267-R277 WeakPolarHBondContact O-CA 3.32Å; D268-R277 IonicContact OD1-CZ 3.18Å; D268-R277 IonicContact OD1-NE 2.75Å; D268-R277 PolarHBondContact OD1-NE 3.14Å; D268-R277 IonicContact OD1-NH2 2.8Å; D268-R277 PolarHBondContact OD1-NH2 2.93Å; D268-R277 IonicContact OD2-NH2 3.17Å; D268-R277 PolarHBondContact OD2-NH2 2.9Å; D268-R277 VanDerWaalsContact OD2-NH2 3.17Å; R277-G294 WeakPolarHBondContact CB-O 3.48Å; R277-G294 PolarHBondContact N-O 2.96Å; R277-G294 PolarHBondContact O-N 3.26Å
278	I	98.2	Very high	96	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	126.5	170.8	-59.9	168.3	0	0	0	107.5	Y41 V254 A258 A266 F267 V269 I276 Y292 M293	Y41-I278 HydrophobicContact CD2-CD1 3.99Å; Y41-I278 HydrophobicContact CE2-CD1 3.44Å; Y41-I278 VanDerWaalsContact CE2-CD1 3.44Å; V254-I278 HydrophobicContact CG1-CD1 3.66Å; V254-I278 HydrophobicContact CG1-CG1 4.42Å; A258-I278 HydrophobicContact CB-CG2 3.59Å; A266-I278 VanDerWaalsContact CA-O 3.31Å; A266-I278 WeakPolarHBondContact CA-O 3.34Å; F267-I278 HydrophobicContact CE1-CB 4.36Å; F267-I278 HydrophobicContact CE1-CG2 4.38Å; F267-I278 HydrophobicContact CE2-CB 4.15Å; F267-I278 HydrophobicContact CE2-CD1 4.11Å; F267-I278 HydrophobicContact CZ-CB 3.97Å; F267-I278 HydrophobicContact CZ-CD1 4.31Å; F267-I278 HydrophobicContact CZ-CG2 4.1Å; F267-I278 PolarHBondContact N-O 3.07Å; F267-I278 PolarHBondContact O-N 2.9Å; V269-I278 HydrophobicContact CG1-CD1 4.48Å; V269-I278 HydrophobicContact CG2-CD1 3.76Å; V269-I278 HydrophobicContact CG2-CG1 4.22Å; I276-I278 HydrophobicContact CG2-CG1 4.18Å; I278-Y292 WeakPolarHBondContact CA-O 3.36Å; I278-M293 HydrophobicContact CG1-CG 4.13Å
279	T	97.6	Very high	95.9	Very high	13 Å²	13	44.1 Å²	44.1	8%	0.08	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	120.5	178.6	-56.1	0	0	0	0	108.6	A266 H281 C291 Y292	A266-T279 HydrophobicContact CB-CG2 4.16Å; T279-H281 WeakPolarHBondContact CG2-NE2 3.43Å; T279-C291 VanDerWaalsContact O-CA 3.24Å; T279-C291 WeakPolarHBondContact O-CA 3.47Å; T279-C291 PolarHBondContact O-SG 3.46Å; T279-Y292 HydrophobicContact CG2-CE1 4.12Å; T279-Y292 PolarHBondContact N-O 3.12Å; T279-Y292 PolarHBondContact O-N 3.18Å
280	C	98	Very high	95.9	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	148.7	170.2	-53.1	0	0	0	0	111	A258 F259 P263 S265 T290 C291	A258-C280 VanDerWaalsContact CB-SG 3.52Å; F259-C280 HydrophobicContact CD2-CB 4.15Å; F259-C280 PolarHBondContact N-SG 3.41Å; P263-C280 CarbonylContact O-C 3.59Å; S265-C280 PolarHBondContact N-O 2.86Å; S265-C280 PolarHBondContact O-N 3.25Å; S265-C280 VanDerWaalsContact O-N 3.09Å; C280-T290 CarbonylContact C-O 3.48Å; C280-T290 VanDerWaalsContact CA-O 3.29Å; C280-T290 WeakPolarHBondContact CA-O 3.35Å; C280-C291 HydrophobicContact CB-CB 3.77Å; C280-C291 WeakPolarHBondContact CB-SG 3.42Å; C280-C291 WeakPolarHBondContact SG-CB 3.45Å; C280-C291 CovalentContact SG-SG 2.05Å; C280-C291 PolarHBondContact SG-SG 3.16Å
281	H	97	Very high	95.9	Very high	94 Å²	94	41.8 Å²	41.8	44%	0.435	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	135.3	170.6	-60.8	-68.1	0	0	0	110.2	P263 T279 G289 T290	P263-H281 CarbonylContact O-C 3.44Å; P263-H281 VanDerWaalsContact O-C 3.26Å; P263-H281 VanDerWaalsContact O-CA 3.24Å; P263-H281 WeakPolarHBondContact O-CA 3.41Å; P263-H281 PolarHBondContact O-N 2.99Å; T279-H281 WeakPolarHBondContact CG2-NE2 3.43Å; H281-G289 VanDerWaalsContact O-CA 3.28Å; H281-G289 WeakPolarHBondContact O-CA 3.26Å; H281-G289 PolarHBondContact O-N 2.68Å; H281-T290 HydrophobicContact CB-CG2 4.09Å; H281-T290 PolarHBondContact N-O 3.2Å; H281-T290 PolarHBondContact O-N 2.87Å; H281-T290 VanDerWaalsContact O-N 3.08Å
282	E	96	Very high	95.9	Very high	78 Å²	78	44.9 Å²	44.9	36%	0.364	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	147.9	171.1	82.7	-165.2	155.2	0	0	111.3	F259 P263 T264 E287	F259-E282 HydrophobicContact CE2-CB 3.73Å; F259-E282 HydrophobicContact CZ-CB 3.93Å; P263-E282 HydrophobicContact CB-CB 4.29Å; P263-E282 PolarHBondContact O-N 2.75Å; T264-E282 HydrophobicContact CG2-CB 4.16Å; T264-E282 HydrophobicContact CG2-CG 3.45Å; T264-E282 VanDerWaalsContact CG2-CG 3.45Å; T264-E282 WeakPolarHBondContact CG2-OE1 3.27Å; E282-E287 CarbonylContact C-O 3.51Å; E282-E287 WeakPolarHBondContact CA-O 3.49Å
283	L	92.9	Very high	95.9	Very high	75 Å²	75	42.5 Å²	42.5	39%	0.393	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	-40.8	169.3	-70.4	174.8	0	0	0	111.1	Y168 E287	Y168-L283 HydrophobicContact CD2-CD1 3.58Å; Y168-L283 HydrophobicContact CE1-CD1 4.37Å; Y168-L283 HydrophobicContact CE2-CD1 3.2Å; Y168-L283 HydrophobicContact CG-CD1 4.33Å; L283-E287 HydrophobicContact CB-CB 4.42Å; L283-E287 PolarHBondContact N-O 3.29Å
284	S	91.5	Very high	95.7	Very high	50 Å²	50	40.3 Å²	40.3	35%	0.35	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	176.2	174.3	83.6	0	0	0	0	108.9	S286 E287	S284-S286 PolarHBondContact O-N 3.43Å; S284-S286 VanDerWaalsContact O-N 3.1Å; S284-E287 WeakPolarHBondContact CB-OE2 3.36Å; S284-E287 PolarHBondContact O-N 3.41Å; S284-E287 WeakPolarHBondContact OG-CG 3.43Å; S284-E287 PolarHBondContact OG-OE2 3.39Å
285	S	88.2	Confident	95.6	Very high	103 Å²	103	42.1 Å²	42.1	72%	0.72	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52	121.5	177.5	178.2	0	0	0	0	110.3	E287	S285-E287 VanDerWaalsContact C-N 3.25Å; S285-E287 PolarHBondContact O-N 3.01Å
286	S	88.6	Confident	95.5	Very high	71 Å²	71	39 Å²	39	50%	0.497	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.1	-4.6	-177.3	72.3	0	0	0	0	117.3	S284	S284-S286 PolarHBondContact O-N 3.43Å; S284-S286 VanDerWaalsContact O-N 3.1Å
287	E	95.2	Very high	95.4	Very high	47 Å²	47	41.1 Å²	41.1	22%	0.22	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	105.7	178.1	-69.1	178.6	162.3	0	0	110.8	Y168 E282 L283 S284 S285 G289	Y168-E287 VanDerWaalsContact CB-CD 3.44Å; Y168-E287 VanDerWaalsContact CB-OE1 3.25Å; Y168-E287 WeakPolarHBondContact CB-OE1 3.42Å; Y168-E287 HydrophobicContact CD1-CB 3.97Å; Y168-E287 HydrophobicContact CD1-CG 4.06Å; Y168-E287 HydrophobicContact CE1-CB 4.43Å; Y168-E287 HydrophobicContact CG-CG 4.46Å; E282-E287 CarbonylContact C-O 3.51Å; E282-E287 WeakPolarHBondContact CA-O 3.49Å; L283-E287 HydrophobicContact CB-CB 4.42Å; L283-E287 PolarHBondContact N-O 3.29Å; S284-E287 WeakPolarHBondContact CB-OE2 3.36Å; S284-E287 PolarHBondContact O-N 3.41Å; S284-E287 WeakPolarHBondContact OG-CG 3.43Å; S284-E287 PolarHBondContact OG-OE2 3.39Å; S285-E287 VanDerWaalsContact C-N 3.25Å; S285-E287 PolarHBondContact O-N 3.01Å; E287-G289 PolarHBondContact O-N 2.85Å
288	M	97.6	Very high	95.3	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	116.1	176.4	-178.6	166.8	57	0	0	110.9	L163 W164 Y168 A178 F259 C291	L163-M288 HydrophobicContact CD1-CB 4.12Å; L163-M288 HydrophobicContact CD1-CE 4.45Å; L163-M288 HydrophobicContact CG-CE 4.43Å; W164-M288 HydrophobicContact CD2-CE 4.02Å; W164-M288 HydrophobicContact CE3-CE 3.63Å; W164-M288 HydrophobicContact CH2-CE 3.26Å; W164-M288 HydrophobicContact CH2-SD 4.45Å; W164-M288 HydrophobicContact CZ2-CE 3.65Å; W164-M288 HydrophobicContact CZ3-CE 3.23Å; Y168-M288 WeakPolarHBondContact CE1-O 3.04Å; Y168-M288 PolarHBondContact OH-O 2.67Å; A178-M288 HydrophobicContact CB-CB 3.96Å; A178-M288 HydrophobicContact CB-CE 3.7Å; A178-M288 HydrophobicContact CB-CG 4.39Å; A178-M288 WeakPolarHBondContact CB-O 3.43Å; F259-M288 HydrophobicContact CB-SD 3.71Å; F259-M288 HydrophobicContact CD1-CB 4.01Å; F259-M288 HydrophobicContact CD1-CG 4.49Å; F259-M288 HydrophobicContact CD1-SD 4.34Å; F259-M288 HydrophobicContact CD2-CB 3.79Å; F259-M288 HydrophobicContact CD2-CG 3.61Å; F259-M288 HydrophobicContact CD2-SD 3.84Å; F259-M288 HydrophobicContact CE1-CB 3.83Å; F259-M288 HydrophobicContact CE2-CB 3.61Å; F259-M288 HydrophobicContact CE2-CG 3.83Å; F259-M288 HydrophobicContact CG-CB 4Å; F259-M288 HydrophobicContact CG-CG 3.98Å; F259-M288 HydrophobicContact CG-SD 3.69Å; F259-M288 VanDerWaalsContact CZ-CA 3.45Å; F259-M288 HydrophobicContact CZ-CB 3.63Å; F259-M288 HydrophobicContact CZ-CG 4.36Å; M288-C291 HydrophobicContact SD-CB 3.68Å
289	G	96	Very high	95.1	Very high	4 Å²	4	39.7 Å²	39.7	4%	0.041	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	-37.4	174	0	0	0	0	0	113	R170 H181 H281 E287	R170-G289 PolarHBondContact NH2-O 3.3Å; H181-G289 PolarHBondContact CD2-O 2.83Å; H181-G289 VanDerWaalsContact CG-O 3.3Å; H181-G289 PolarHBondContact NE2-O 3.46Å; H281-G289 VanDerWaalsContact O-CA 3.28Å; H281-G289 WeakPolarHBondContact O-CA 3.26Å; H281-G289 PolarHBondContact O-N 2.68Å; E287-G289 PolarHBondContact O-N 2.85Å
290	T	97.2	Very high	94.9	Very high	12 Å²	12	41.5 Å²	41.5	7%	0.074	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.6	154.9	170.2	-168.8	0	0	0	0	109.6	H181 C280 H281 Y292	H181-T290 VanDerWaalsContact CD2-CB 3.45Å; H181-T290 WeakPolarHBondContact CD2-CB 3.39Å; H181-T290 PolarHBondContact CD2-OG1 2.92Å; H181-T290 WeakPolarHBondContact NE2-CB 3.19Å; C280-T290 CarbonylContact C-O 3.48Å; C280-T290 VanDerWaalsContact CA-O 3.29Å; C280-T290 WeakPolarHBondContact CA-O 3.35Å; H281-T290 HydrophobicContact CB-CG2 4.09Å; H281-T290 PolarHBondContact N-O 3.2Å; H281-T290 PolarHBondContact O-N 2.87Å; H281-T290 VanDerWaalsContact O-N 3.08Å; T290-Y292 HydrophobicContact CG2-CD1 4.29Å; T290-Y292 HydrophobicContact CG2-CE1 4.31Å
291	C	98.1	Very high	94.7	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	138.2	155.1	-160.5	0	0	0	0	110.4	V182 Y255 T279 C280 M288	V182-C291 WeakPolarHBondContact CG1-O 3.5Å; Y255-C291 HydrophobicContact CD1-CB 4.15Å; Y255-C291 HydrophobicContact CG-CB 4.24Å; T279-C291 VanDerWaalsContact O-CA 3.24Å; T279-C291 WeakPolarHBondContact O-CA 3.47Å; T279-C291 PolarHBondContact O-SG 3.46Å; C280-C291 HydrophobicContact CB-CB 3.77Å; C280-C291 WeakPolarHBondContact CB-SG 3.42Å; C280-C291 WeakPolarHBondContact SG-CB 3.45Å; C280-C291 CovalentContact SG-SG 2.05Å; C280-C291 PolarHBondContact SG-SG 3.16Å; M288-C291 HydrophobicContact SD-CB 3.68Å
292	Y	98	Very high	94.5	Very high	68 Å²	68	40.6 Å²	40.6	27%	0.267	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	157.7	-176.1	65.4	-88.4	0	0	0	113.1	H196 Y255 I278 T279 T290	H196-Y292 AromaticContact CE1-CD1 3.77Å; H196-Y292 AromaticContact CE1-CG 3.61Å; H196-Y292 WeakPolarHBondContact ND1-CB 3.48Å; H196-Y292 AromaticContact ND1-CG 3.64Å; H196-Y292 AromaticContact NE2-CD1 3.78Å; H196-Y292 AromaticContact NE2-CG 4Å; Y255-Y292 VanDerWaalsContact CE1-CA 3.47Å; I278-Y292 WeakPolarHBondContact CA-O 3.36Å; T279-Y292 HydrophobicContact CG2-CE1 4.12Å; T279-Y292 PolarHBondContact N-O 3.12Å; T279-Y292 PolarHBondContact O-N 3.18Å; T290-Y292 HydrophobicContact CG2-CD1 4.29Å; T290-Y292 HydrophobicContact CG2-CE1 4.31Å
293	M	97.7	Very high	94.4	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	134.4	170.4	-70.6	177.3	-81	0	0	110.8	L224 F243 F250 V254 Y255 I276 I278	L224-M293 HydrophobicContact CD1-CB 3.89Å; F243-M293 HydrophobicContact CB-CE 3.63Å; F243-M293 HydrophobicContact CB-SD 4.16Å; F243-M293 HydrophobicContact CD2-SD 4.49Å; F243-M293 HydrophobicContact CG-CE 4.3Å; F243-M293 HydrophobicContact CG-SD 4.4Å; F250-M293 HydrophobicContact CE1-CE 4.1Å; F250-M293 HydrophobicContact CE1-SD 4.31Å; V254-M293 HydrophobicContact CG1-CG 4.48Å; V254-M293 HydrophobicContact CG1-SD 4.28Å; Y255-M293 HydrophobicContact CE1-CE 4.06Å; Y255-M293 HydrophobicContact CE1-CG 3.95Å; Y255-M293 WeakPolarHBondContact OH-CE 3.39Å; Y255-M293 PolarHBondContact OH-N 3.25Å; I276-M293 HydrophobicContact CD1-SD 4.35Å; I276-M293 HydrophobicContact CG2-CB 3.62Å; I276-M293 HydrophobicContact CG2-CG 3.64Å; I276-M293 HydrophobicContact CG2-SD 4.29Å; I278-M293 HydrophobicContact CG1-CG 4.13Å
294	G	92.1	Very high	94.6	Very high	20 Å²	20	34.1 Å²	34.1	21%	0.206	22%	0.216	C	C	.	.			trans	-154.1	0	177.4	0	0	0	0	0	115.5	K217 R277	K217-G294 PolarHBondContact NZ-OXT 2.63Å; R277-G294 WeakPolarHBondContact CB-O 3.48Å; R277-G294 PolarHBondContact N-O 2.96Å; R277-G294 PolarHBondContact O-N 3.26Å

Retrieved 294 of 294 residues in 319.6 ms (Link to these results)

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