A0A093H1K0_STRCA Loading...

poly(A)-specific ribonuclease

AlphaFold DB , UniProt , Accession A0A093H1K0, Species STRCA (Struthio camelus australis), Gene n/a, Length 557 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	30	Very low	50.4	Low	149 Å²	149	111.6 Å²	111.6	73%	0.734	58%	0.58	S	S	*	*				0	138	0	-68.9	-164.3	175.1	0	0	109.8	K3 P366	M1-K3 PolarHBondContact O-N 3.29Å; M1-P366 HydrophobicContact CE-CG 4.3Å
2	P	27.5	Very low	51.2	Low	120 Å²	120	117.5 Å²	117.5	78%	0.779	59%	0.589	S	S	*	*			trans	-66.2	128.4	173.8	25.7	-26.8	0	0	0	108.6	E4	P2-E4 PolarHBondContact O-N 3.19Å
3	K	39.9	Very low	52.2	Low	175 Å²	175	114.3 Å²	114.3	76%	0.761	57%	0.566	S	S	*	*			trans	-56.2	114.6	168.7	-71.9	177.4	177.1	177.6	0	106.3	M1 K5	M1-K3 PolarHBondContact O-N 3.29Å; K3-K5 PolarHBondContact O-N 2.8Å
4	E	46	Very low	52.5	Low	157 Å²	157	116.9 Å²	116.9	73%	0.734	58%	0.578	S	S	*	*			trans	-48.5	117.1	162.6	-81.7	-173.7	158.8	0	0	106.4	P2 Y6	P2-E4 PolarHBondContact O-N 3.19Å; E4-Y6 VanDerWaalsContact C-N 3.32Å; E4-Y6 PolarHBondContact O-N 3.05Å
5	K	46.6	Very low	53.3	Low	176 Å²	176	118.5 Å²	118.5	77%	0.765	58%	0.577	S	S	*	*			trans	-66.2	102.6	178.3	-173.7	-177.6	173.5	-166.7	0	105	K3 D7	K3-K5 PolarHBondContact O-N 2.8Å; K5-D7 PolarHBondContact O-N 3.35Å; K5-D7 VanDerWaalsContact O-N 3.1Å
6	Y	59.9	Low	54	Low	45 Å²	45	119.4 Å²	119.4	18%	0.176	59%	0.592	C	S	.	*			trans	-66.1	111.6	173	172.9	-116.9	0	0	0	107.3	E4 P8 P9 V77 R100 E101	E4-Y6 VanDerWaalsContact C-N 3.32Å; E4-Y6 PolarHBondContact O-N 3.05Å; Y6-P8 HydrophobicContact CE1-CB 4.24Å; Y6-P9 WeakPolarHBondContact OH-CD 3.23Å; Y6-V77 HydrophobicContact CD2-CG1 3.94Å; Y6-V77 HydrophobicContact CE2-CB 4.41Å; Y6-V77 HydrophobicContact CE2-CG1 3.25Å; Y6-R100 HydrophobicContact CD1-CB 4.12Å; Y6-R100 HydrophobicContact CE1-CB 3.89Å; Y6-R100 HydrophobicContact CE2-CB 4.42Å; Y6-R100 HydrophobicContact CG-CB 4.45Å; Y6-R100 HydrophobicContact CG-CG 4.49Å; Y6-E101 HydrophobicContact CE1-CG 4.01Å; Y6-E101 WeakPolarHBondContact CE1-OE1 3.45Å
7	D	59.9	Low	55.1	Low	112 Å²	112	121.6 Å²	121.6	60%	0.599	60%	0.604	S	S	*	*	P	Polyproline II helix	trans	-87.8	119.2	167.2	-70.2	-36.7	0	0	0	107	K5	K5-D7 PolarHBondContact O-N 3.35Å; K5-D7 VanDerWaalsContact O-N 3.1Å
8	P	61.8	Low	56.3	Low	77 Å²	77	118.1 Å²	118.1	50%	0.5	59%	0.587	S	S	.	*	P	Polyproline II helix	trans	-62.6	156	178	27.6	-34.5	0	0	0	110.3	Y6 D10 E101	Y6-P8 HydrophobicContact CE1-CB 4.24Å; P8-D10 PolarHBondContact O-N 2.68Å; P8-E101 WeakPolarHBondContact CB-OE1 3.35Å
9	P	63.3	Low	57.7	Low	30 Å²	30	114.6 Å²	114.6	20%	0.195	58%	0.575	C	S	.	*	P	Polyproline II helix	trans	-53.8	137.1	178.4	-19.6	29.3	0	0	0	110.9	Y6 P11 Y78	Y6-P9 WeakPolarHBondContact OH-CD 3.23Å; P9-P11 WeakPolarHBondContact O-CD 3.28Å; P9-P11 VanDerWaalsContact O-N 3.12Å; P9-Y78 HydrophobicContact CG-CD2 3.8Å; P9-Y78 HydrophobicContact CG-CE2 4.46Å; P9-Y78 HydrophobicContact CG-CG 3.95Å
10	D	61.6	Low	59	Low	65 Å²	65	114.3 Å²	114.3	35%	0.348	58%	0.584	S	S	.	*	P	Polyproline II helix	trans	-59.8	118.9	-179.6	-172.6	-22.6	0	0	0	108.9	P8 R12 R13	P8-D10 PolarHBondContact O-N 2.68Å; D10-R12 PolarHBondContact O-N 3.41Å; D10-R12 VanDerWaalsContact OD1-CB 3.25Å; D10-R12 WeakPolarHBondContact OD1-CB 3.44Å; D10-R12 PolarHBondContact OD1-N 3.04Å; D10-R12 IonicContact OD1-NE 3.76Å; D10-R12 PolarHBondContact OD1-NE 3.25Å; D10-R12 IonicContact OD2-CZ 2.83Å; D10-R12 IonicContact OD2-NE 3.73Å; D10-R12 PolarHBondContact OD2-NE 3.46Å; D10-R12 IonicContact OD2-NH2 2.8Å; D10-R12 PolarHBondContact OD2-NH2 3.29Å; D10-R13 PolarHBondContact O-N 2.94Å
11	P	57.8	Low	60.2	Low	122 Å²	122	115.8 Å²	115.8	79%	0.792	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.6	-18.1	179.8	24.2	-33.9	0	0	0	113	P9 R13	P9-P11 WeakPolarHBondContact O-CD 3.28Å; P9-P11 VanDerWaalsContact O-N 3.12Å; P11-R13 VanDerWaalsContact C-N 3.34Å
12	R	59.6	Low	62.7	Low	182 Å²	182	111.4 Å²	111.4	69%	0.687	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.6	-12.7	176	-62.9	174.6	-72.1	-175.4	0.3	113.3	D10 M14	D10-R12 PolarHBondContact O-N 3.41Å; D10-R12 VanDerWaalsContact OD1-CB 3.25Å; D10-R12 WeakPolarHBondContact OD1-CB 3.44Å; D10-R12 PolarHBondContact OD1-N 3.04Å; D10-R12 IonicContact OD1-NE 3.76Å; D10-R12 PolarHBondContact OD1-NE 3.25Å; D10-R12 IonicContact OD2-CZ 2.83Å; D10-R12 IonicContact OD2-NE 3.73Å; D10-R12 PolarHBondContact OD2-NE 3.46Å; D10-R12 IonicContact OD2-NH2 2.8Å; D10-R12 PolarHBondContact OD2-NH2 3.29Å; R12-M14 VanDerWaalsContact C-N 3.25Å; R12-M14 HydrophobicContact CB-CG 4.2Å; R12-M14 PolarHBondContact O-N 2.62Å; R12-M14 VanDerWaalsContact O-N 3.13Å
13	R	65	Low	65.4	Low	76 Å²	76	108.3 Å²	108.3	29%	0.287	55%	0.55	S	S	.	*			trans	42.9	49.7	175.2	-60.7	-176.3	-172.6	165.8	4.8	112.7	D10 P11 Y15 E35 H57	D10-R13 PolarHBondContact O-N 2.94Å; P11-R13 VanDerWaalsContact C-N 3.34Å; R13-Y15 HydrophobicContact CB-CE2 3.91Å; R13-Y15 WeakPolarHBondContact O-CD2 3.28Å; R13-Y15 VanDerWaalsContact O-CE2 3.23Å; R13-Y15 WeakPolarHBondContact O-CE2 3.31Å; R13-Y15 PolarHBondContact O-N 3.12Å; R13-E35 IonicContact CZ-OE2 3.92Å; R13-E35 IonicContact NH1-OE1 3.88Å; R13-E35 PolarHBondContact NH1-OE1 3Å; R13-E35 IonicContact NH1-OE2 2.84Å; R13-E35 PolarHBondContact NH1-OE2 3.2Å; R13-H57 PolarHBondContact NH2-ND1 2.84Å
14	M	56.5	Low	67.5	Low	150 Å²	150	104 Å²	104	74%	0.739	55%	0.548	S	S	*	.			trans	-76.7	105.2	-179.1	-71.1	-173.2	65.3	0	0	109.7	R12	R12-M14 VanDerWaalsContact C-N 3.25Å; R12-M14 HydrophobicContact CB-CG 4.2Å; R12-M14 PolarHBondContact O-N 2.62Å; R12-M14 VanDerWaalsContact O-N 3.13Å
15	Y	63.4	Low	69.5	Low	141 Å²	141	102.6 Å²	102.6	55%	0.553	55%	0.545	S	S	*	.			trans	-92.3	124.9	175.2	-53.4	-71.3	0	0	0	110.5	R13 E33	R13-Y15 HydrophobicContact CB-CE2 3.91Å; R13-Y15 WeakPolarHBondContact O-CD2 3.28Å; R13-Y15 VanDerWaalsContact O-CE2 3.23Å; R13-Y15 WeakPolarHBondContact O-CE2 3.31Å; R13-Y15 PolarHBondContact O-N 3.12Å; Y15-E33 PolarHBondContact OH-OE2 2.81Å
16	T	64.4	Low	71.4	Confident	134 Å²	134	97 Å²	97	82%	0.822	54%	0.537	S	S	*	.			trans	-86.4	114.8	169.1	-53.1	0	0	0	0	108.4	M18	T16-M18 PolarHBondContact O-N 3.24Å
17	I	73.5	Confident	72.4	Confident	156 Å²	156	100.4 Å²	100.4	80%	0.8	55%	0.553	S	S	*	*	P	Polyproline II helix	trans	-71.4	124.1	172	-59.2	176.1	0	0	0	107.5	S19	I17-S19 PolarHBondContact O-N 3.23Å
18	M	77.1	Confident	73.2	Confident	59 Å²	59	104.6 Å²	104.6	29%	0.291	57%	0.566	S	S	.	*	P	Polyproline II helix	trans	-56.2	129.9	175.9	178.1	174.1	-71.5	0	0	110.3	T16 E22 A23 K27 K28	T16-M18 PolarHBondContact O-N 3.24Å; M18-E22 HydrophobicContact CG-CB 3.8Å; M18-A23 HydrophobicContact CG-CB 4.45Å; M18-A23 HydrophobicContact SD-CB 4.03Å; M18-K27 HydrophobicContact CE-CB 3.83Å; M18-K27 HydrophobicContact SD-CB 4.4Å; M18-K28 VanDerWaalsContact CE-C 3.47Å
19	S	82.9	Confident	73.7	Confident	51 Å²	51	105.2 Å²	105.2	36%	0.357	57%	0.572	S	S	.	*	P	Polyproline II helix	trans	-76	157.4	177.9	85.5	0	0	0	0	111.5	I17 E21 E22 A23	I17-S19 PolarHBondContact O-N 3.23Å; S19-E21 PolarHBondContact O-N 3.16Å; S19-E21 PolarHBondContact OG-N 3.31Å; S19-E22 PolarHBondContact N-OE2 3.17Å; S19-E22 WeakPolarHBondContact O-CB 3.22Å; S19-E22 PolarHBondContact O-N 3.48Å; S19-E22 VanDerWaalsContact O-N 3.16Å; S19-E22 WeakPolarHBondContact OG-CG 3.4Å; S19-E22 PolarHBondContact OG-N 3.45Å; S19-A23 PolarHBondContact O-N 3.45Å; S19-A23 VanDerWaalsContact O-N 3.08Å
20	S	82.7	Confident	74.4	Confident	108 Å²	108	110.7 Å²	110.7	76%	0.755	60%	0.595	S	S	*	*	H	α-helix	trans	-59.5	-30.1	176.2	-54	0	0	0	0	112.9	A24	S20-A24 WeakPolarHBondContact O-CB 3.47Å; S20-A24 PolarHBondContact O-N 3.3Å
21	E	84.9	Confident	75.5	Confident	146 Å²	146	113.2 Å²	113.2	68%	0.682	60%	0.6	S	S	*	*	H	α-helix	trans	-73.8	-37.4	178	-169.6	175	-171.8	0	0	111.8	S19 A24 N25	S19-E21 PolarHBondContact O-N 3.16Å; S19-E21 PolarHBondContact OG-N 3.31Å; E21-A24 PolarHBondContact O-N 2.88Å; E21-N25 PolarHBondContact O-N 3.25Å; E21-N25 VanDerWaalsContact O-N 3.08Å; E21-N25 PolarHBondContact O-ND2 3.23Å
22	E	83.1	Confident	76.9	Confident	58 Å²	58	108.5 Å²	108.5	27%	0.271	57%	0.571	S	S	.	*	H	α-helix	trans	-65.4	-42.8	173.7	-72.8	-176.5	124.8	0	0	112.1	M18 S19 N25 K27	M18-E22 HydrophobicContact CG-CB 3.8Å; S19-E22 PolarHBondContact N-OE2 3.17Å; S19-E22 WeakPolarHBondContact O-CB 3.22Å; S19-E22 PolarHBondContact O-N 3.48Å; S19-E22 VanDerWaalsContact O-N 3.16Å; S19-E22 WeakPolarHBondContact OG-CG 3.4Å; S19-E22 PolarHBondContact OG-N 3.45Å; E22-N25 PolarHBondContact O-N 2.68Å; E22-K27 HydrophobicContact CB-CB 4.46Å; E22-K27 HydrophobicContact CB-CD 3.72Å; E22-K27 HydrophobicContact CG-CD 3.87Å; E22-K27 WeakPolarHBondContact O-CB 3.38Å; E22-K27 PolarHBondContact O-N 3.42Å; E22-K27 VanDerWaalsContact O-N 3.16Å; E22-K27 IonicContact OE1-NZ 2.71Å; E22-K27 PolarHBondContact OE1-NZ 3.05Å
23	A	82.5	Confident	78.4	Confident	54 Å²	54	102.6 Å²	102.6	45%	0.446	55%	0.551	S	S	.	*	H	α-helix	trans	-63.8	-41.7	175.2	0	0	0	0	0	111.7	M18 S19 N25 G26	M18-A23 HydrophobicContact CG-CB 4.45Å; M18-A23 HydrophobicContact SD-CB 4.03Å; S19-A23 PolarHBondContact O-N 3.45Å; S19-A23 VanDerWaalsContact O-N 3.08Å; A23-N25 VanDerWaalsContact C-N 3.26Å; A23-N25 PolarHBondContact O-N 3.11Å; A23-G26 PolarHBondContact O-N 3.24Å
24	A	85.4	Confident	79.7	Confident	86 Å²	86	101 Å²	101	71%	0.711	55%	0.548	S	S	*	.	H	α-helix	trans	-63.6	-30.9	176.8	0	0	0	0	0	112.9	S20 E21 G26	S20-A24 WeakPolarHBondContact O-CB 3.47Å; S20-A24 PolarHBondContact O-N 3.3Å; E21-A24 PolarHBondContact O-N 2.88Å; A24-G26 PolarHBondContact O-N 3.44Å
25	N	88.5	Confident	81.4	Confident	126 Å²	126	98.2 Å²	98.2	67%	0.674	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.2	9.8	174.3	-72.7	-32.7	0	0	0	113.9	E21 E22 A23 K27	E21-N25 PolarHBondContact O-N 3.25Å; E21-N25 VanDerWaalsContact O-N 3.08Å; E21-N25 PolarHBondContact O-ND2 3.23Å; E22-N25 PolarHBondContact O-N 2.68Å; A23-N25 VanDerWaalsContact C-N 3.26Å; A23-N25 PolarHBondContact O-N 3.11Å; N25-K27 PolarHBondContact O-N 3.18Å
26	G	85.6	Confident	82.9	Confident	58 Å²	58	93.6 Å²	93.6	60%	0.598	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.2	10.7	174.3	0	0	0	0	0	115.2	A23 A24 K28	A23-G26 PolarHBondContact O-N 3.24Å; A24-G26 PolarHBondContact O-N 3.44Å; G26-K28 PolarHBondContact O-N 3.42Å
27	K	81.1	Confident	84.2	Confident	118 Å²	118	91.1 Å²	91.1	51%	0.513	51%	0.506	S	S	.	.	P	Polyproline II helix	trans	-64.4	131.8	169.4	-74.9	173.5	163.1	176.4	0	108.9	M18 E22 N25	M18-K27 HydrophobicContact CE-CB 3.83Å; M18-K27 HydrophobicContact SD-CB 4.4Å; E22-K27 HydrophobicContact CB-CB 4.46Å; E22-K27 HydrophobicContact CB-CD 3.72Å; E22-K27 HydrophobicContact CG-CD 3.87Å; E22-K27 WeakPolarHBondContact O-CB 3.38Å; E22-K27 PolarHBondContact O-N 3.42Å; E22-K27 VanDerWaalsContact O-N 3.16Å; E22-K27 IonicContact OE1-NZ 2.71Å; E22-K27 PolarHBondContact OE1-NZ 3.05Å; N25-K27 PolarHBondContact O-N 3.18Å
28	K	76.7	Confident	85	Confident	199 Å²	199	86.8 Å²	86.8	87%	0.865	50%	0.499	S	S	*	.	P	Polyproline II helix	trans	-94.2	132.3	174.7	-66.4	-175.9	-179.9	179.5	0	109.6	M18 G26 H30	M18-K28 VanDerWaalsContact CE-C 3.47Å; G26-K28 PolarHBondContact O-N 3.42Å; K28-H30 PolarHBondContact O-N 2.82Å
29	S	72.9	Confident	85.8	Confident	91 Å²	91	91.8 Å²	91.8	64%	0.636	52%	0.52	S	S	*	.	P	Polyproline II helix	trans	-67	132.8	170.9	-178.2	0	0	0	0	109.2
30	H	77.2	Confident	86.4	Confident	144 Å²	144	91 Å²	91	67%	0.667	51%	0.513	S	S	*	.			trans	-128.9	123	174.6	-173.9	-79.6	0	0	0	107.7	K28	K28-H30 PolarHBondContact O-N 2.82Å
31	W	84.9	Confident	87	Confident	119 Å²	119	95.3 Å²	95.3	45%	0.451	51%	0.512	S	S	.	.			trans	-116.9	134.2	171.7	55.7	-78.8	0	0	0	107.3	L34 L50 H52 L53	W31-L34 HydrophobicContact CZ3-CB 4.19Å; W31-L34 HydrophobicContact CZ3-CD1 4.29Å; W31-L50 HydrophobicContact CH2-CD1 3.82Å; W31-L50 HydrophobicContact CH2-CD2 4.16Å; W31-L50 HydrophobicContact CZ3-CD1 4.46Å; W31-H52 AromaticContact CE2-NE2 3.67Å; W31-H52 AromaticContact CH2-NE2 3.64Å; W31-H52 AromaticContact CZ2-CE1 3.99Å; W31-H52 AromaticContact CZ2-NE2 3.48Å; W31-H52 WeakPolarHBondContact CZ2-NE2 3.33Å; W31-H52 AromaticContact CZ3-NE2 3.97Å; W31-H52 PolarHBondContact O-CD2 3.09Å; W31-L53 HydrophobicContact CE3-CD2 3.81Å; W31-L53 HydrophobicContact CH2-CD2 4.48Å; W31-L53 HydrophobicContact CZ3-CD2 3.56Å; W31-L53 HydrophobicContact CZ3-CG 4.44Å
32	A	87.8	Confident	87.3	Confident	23 Å²	23	93 Å²	93	19%	0.19	51%	0.513	C	S	.	.			trans	-116.9	-4.1	-178.7	0	0	0	0	0	111.9	L53 T54 A55	A32-L53 CarbonylContact O-C 3.56Å; A32-L53 WeakPolarHBondContact O-CA 3.46Å; A32-L53 WeakPolarHBondContact O-CD2 3.42Å; A32-T54 HydrophobicContact CB-CG2 4.22Å; A32-T54 VanDerWaalsContact CB-OG1 3.3Å; A32-T54 WeakPolarHBondContact CB-OG1 3.26Å; A32-T54 PolarHBondContact O-N 2.86Å; A32-T54 PolarHBondContact O-OG1 2.99Å; A32-A55 PolarHBondContact O-N 2.93Å; A32-A55 VanDerWaalsContact O-N 3.1Å
33	E	90.4	Very high	87.8	Confident	58 Å²	58	92 Å²	92	27%	0.271	51%	0.509	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	139.8	-174.3	-49.8	-172	172.2	0	0	109.9	Y15 A55	Y15-E33 PolarHBondContact OH-OE2 2.81Å; E33-A55 WeakPolarHBondContact CA-O 3.26Å; E33-A55 HydrophobicContact CB-CB 4.12Å; E33-A55 HydrophobicContact CG-CB 3.81Å
34	L	92.1	Very high	88.3	Confident	42 Å²	42	93 Å²	93	22%	0.22	51%	0.512	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	129.6	174.5	-177.6	61.9	0	0	0	110.5	W31 I36 L47 L50 L53 A55 L56 H57	W31-L34 HydrophobicContact CZ3-CB 4.19Å; W31-L34 HydrophobicContact CZ3-CD1 4.29Å; L34-I36 HydrophobicContact CD2-CD1 4.19Å; L34-I36 HydrophobicContact CD2-CG1 4.35Å; L34-I36 HydrophobicContact CG-CG1 4.16Å; L34-L47 HydrophobicContact CD2-CD1 3.41Å; L34-L47 VanDerWaalsContact CD2-CD1 3.41Å; L34-L50 HydrophobicContact CD2-CD1 4.13Å; L34-L53 HydrophobicContact CB-CD1 4.02Å; L34-L53 HydrophobicContact CB-CD2 3.96Å; L34-L53 HydrophobicContact CD2-CD1 4.18Å; L34-A55 PolarHBondContact N-O 3.36Å; L34-L56 HydrophobicContact CB-CD1 4.08Å; L34-L56 HydrophobicContact CD2-CD1 4.24Å; L34-L56 HydrophobicContact CG-CD1 4.3Å; L34-H57 PolarHBondContact O-N 3.33Å
35	E	92.6	Very high	88.7	Confident	91 Å²	91	93 Å²	93	43%	0.425	51%	0.507	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	131.5	171.3	-179.7	167.8	-153.6	0	0	110.4	R13 H57	R13-E35 IonicContact CZ-OE2 3.92Å; R13-E35 IonicContact NH1-OE1 3.88Å; R13-E35 PolarHBondContact NH1-OE1 3Å; R13-E35 IonicContact NH1-OE2 2.84Å; R13-E35 PolarHBondContact NH1-OE2 3.2Å; E35-H57 WeakPolarHBondContact CA-O 3.44Å; E35-H57 HydrophobicContact CB-CB 4.01Å; E35-H57 HydrophobicContact CG-CB 4Å
36	I	94.1	Very high	89	Confident	44 Å²	44	90.6 Å²	90.6	23%	0.226	50%	0.5	C	S	.	.			trans	-125.8	118.6	173.2	-51.7	180	0	0	0	107.3	L34 V40 L43 L47 H57 L58 N61	L34-I36 HydrophobicContact CD2-CD1 4.19Å; L34-I36 HydrophobicContact CD2-CG1 4.35Å; L34-I36 HydrophobicContact CG-CG1 4.16Å; I36-V40 HydrophobicContact CG2-CG2 3.76Å; I36-L43 HydrophobicContact CD1-CD2 3.92Å; I36-L47 HydrophobicContact CD1-CD2 4.05Å; I36-H57 PolarHBondContact N-O 3.46Å; I36-L58 HydrophobicContact CB-CD2 3.72Å; I36-L58 HydrophobicContact CD1-CD2 3.89Å; I36-L58 HydrophobicContact CG1-CD2 4Å; I36-N61 PolarHBondContact O-ND2 3.13Å
37	S	91.9	Very high	89.4	Confident	83 Å²	83	88.5 Å²	88.5	58%	0.58	48%	0.475	S	S	*	.			trans	-131.2	172	178.6	65.7	0	0	0	0	110.9
38	G	91.5	Very high	90.1	Very high	64 Å²	64	83.2 Å²	83.2	66%	0.66	45%	0.452	S	S	*	.	S	Bend	trans	106.6	36.9	176.8	0	0	0	0	0	115.3	V40	G38-V40 VanDerWaalsContact C-N 3.32Å; G38-V40 PolarHBondContact O-N 2.9Å
39	K	93	Very high	90.9	Very high	165 Å²	165	78.6 Å²	78.6	72%	0.717	44%	0.441	S	S	*	.	S	Bend	trans	62.7	35.1	175.7	-54.2	177.8	180	174.6	0	113.4	R41 N61	K39-R41 PolarHBondContact O-N 3.14Å; K39-N61 PolarHBondContact N-OD1 3.06Å
40	V	95.7	Very high	91.9	Very high	34 Å²	34	76.3 Å²	76.3	21%	0.206	42%	0.421	C	S	.	.			trans	-60.5	134.7	-179.8	178.7	0	0	0	0	110.7	I36 G38 S42 L43 N61 S62 L63	I36-V40 HydrophobicContact CG2-CG2 3.76Å; G38-V40 VanDerWaalsContact C-N 3.32Å; G38-V40 PolarHBondContact O-N 2.9Å; V40-S42 WeakPolarHBondContact CG1-O 3.4Å; V40-L43 HydrophobicContact CG1-CD2 4.06Å; V40-N61 HydrophobicContact CB-CB 4.4Å; V40-N61 WeakPolarHBondContact CB-OD1 3.46Å; V40-N61 PolarHBondContact N-OD1 3.34Å; V40-S62 CarbonylContact O-C 3.23Å; V40-S62 VanDerWaalsContact O-C 3.23Å; V40-S62 WeakPolarHBondContact O-CA 3.43Å; V40-S62 PolarHBondContact O-N 3.29Å; V40-L63 HydrophobicContact CG1-CD2 4.28Å; V40-L63 PolarHBondContact O-N 2.94Å
41	R	95.1	Very high	92.7	Very high	199 Å²	199	72.1 Å²	72.1	75%	0.751	41%	0.406	S	S	*	.			trans	-104.5	-21.6	179.6	-63.5	-176.9	-176.5	-164.7	2.6	113.6	K39	K39-R41 PolarHBondContact O-N 3.14Å
42	S	91.9	Very high	93	Very high	98 Å²	98	69.7 Å²	69.7	69%	0.685	40%	0.399	S	S	*	.			trans	-147.3	141.5	-176.8	55.6	0	0	0	0	110.3	V40	V40-S42 WeakPolarHBondContact CG1-O 3.4Å
43	L	93.3	Very high	93.2	Very high	36 Å²	36	68.6 Å²	68.6	19%	0.188	39%	0.39	C	S	.	.			trans	-104.8	141.7	175.5	-60.8	169.5	0	0	0	109.1	I36 V40 L47 W48 L58 L63 I66	I36-L43 HydrophobicContact CD1-CD2 3.92Å; V40-L43 HydrophobicContact CG1-CD2 4.06Å; L43-L47 HydrophobicContact CB-CD2 4.1Å; L43-L47 HydrophobicContact CD1-CD2 3.97Å; L43-L47 HydrophobicContact CD2-CD2 4.12Å; L43-L47 HydrophobicContact CG-CD2 4.28Å; L43-W48 HydrophobicContact CB-CH2 4.25Å; L43-W48 HydrophobicContact CB-CZ2 3.88Å; L43-W48 HydrophobicContact CD1-CH2 3.58Å; L43-W48 HydrophobicContact CD1-CZ2 4.01Å; L43-L58 HydrophobicContact CD1-CD1 3.75Å; L43-L58 HydrophobicContact CD1-CD2 4.25Å; L43-L58 HydrophobicContact CD2-CD2 4.04Å; L43-L63 HydrophobicContact CD1-CD1 3.97Å; L43-L63 HydrophobicContact CD1-CD2 4.29Å; L43-L63 HydrophobicContact CD2-CD2 4.44Å; L43-L63 HydrophobicContact CG-CD1 4.45Å; L43-L63 HydrophobicContact CG-CD2 3.96Å; L43-I66 HydrophobicContact CD1-CD1 4.28Å
44	S	93.4	Very high	93.4	Very high	75 Å²	75	68.3 Å²	68.3	52%	0.524	39%	0.393	S	S	.	.			trans	-68	146	174.8	179.8	0	0	0	0	110.7	S46 L47	S44-S46 PolarHBondContact O-N 3.48Å; S44-S46 PolarHBondContact OG-N 3.36Å; S44-L47 VanDerWaalsContact O-CB 3.3Å; S44-L47 WeakPolarHBondContact O-CB 3.13Å; S44-L47 PolarHBondContact O-N 3.12Å; S44-L47 VanDerWaalsContact O-N 3.11Å
45	S	92.1	Very high	93.5	Very high	87 Å²	87	66.4 Å²	66.4	61%	0.608	38%	0.383	S	S	*	.	G	3₁₀ helix	trans	-62.7	-24.1	175.1	54	0	0	0	0	113.1	L47 W48	S45-L47 PolarHBondContact O-N 2.75Å; S45-W48 PolarHBondContact O-N 3.39Å
46	S	95.1	Very high	93.7	Very high	75 Å²	75	62.1 Å²	62.1	52%	0.524	36%	0.363	S	S	.	.	G	3₁₀ helix	trans	-64.1	-20	174.8	-50.6	0	0	0	0	113.4	S44 W48 T49	S44-S46 PolarHBondContact O-N 3.48Å; S44-S46 PolarHBondContact OG-N 3.36Å; S46-W48 PolarHBondContact O-N 2.94Å; S46-T49 PolarHBondContact O-N 3.1Å; S46-T49 PolarHBondContact O-OG1 3.04Å
47	L	95.2	Very high	93.7	Very high	13 Å²	13	60.2 Å²	60.2	7%	0.068	35%	0.353	C	S	.	.	G	3₁₀ helix	trans	-61	-36.7	174	175.4	55.2	0	0	0	111.2	L34 I36 L43 S44 S45 T49 L50 L53 L56	L34-L47 HydrophobicContact CD2-CD1 3.41Å; L34-L47 VanDerWaalsContact CD2-CD1 3.41Å; I36-L47 HydrophobicContact CD1-CD2 4.05Å; L43-L47 HydrophobicContact CB-CD2 4.1Å; L43-L47 HydrophobicContact CD1-CD2 3.97Å; L43-L47 HydrophobicContact CD2-CD2 4.12Å; L43-L47 HydrophobicContact CG-CD2 4.28Å; S44-L47 VanDerWaalsContact O-CB 3.3Å; S44-L47 WeakPolarHBondContact O-CB 3.13Å; S44-L47 PolarHBondContact O-N 3.12Å; S44-L47 VanDerWaalsContact O-N 3.11Å; S45-L47 PolarHBondContact O-N 2.75Å; L47-T49 PolarHBondContact O-N 3.16Å; L47-L50 HydrophobicContact CD1-CD1 3.94Å; L47-L50 WeakPolarHBondContact O-CB 3.49Å; L47-L50 PolarHBondContact O-N 2.87Å; L47-L53 HydrophobicContact CD1-CD1 4.38Å; L47-L56 HydrophobicContact CD1-CD1 4.34Å
48	W	94.4	Very high	93.9	Very high	8 Å²	8	56.2 Å²	56.2	3%	0.03	33%	0.325	C	S	.	.	G	3₁₀ helix	trans	-76.1	-6.8	-174.9	-40.4	127.8	0	0	0	113.4	L43 S45 S46 L56 P67 D69 I70 K72 L73	L43-W48 HydrophobicContact CB-CH2 4.25Å; L43-W48 HydrophobicContact CB-CZ2 3.88Å; L43-W48 HydrophobicContact CD1-CH2 3.58Å; L43-W48 HydrophobicContact CD1-CZ2 4.01Å; S45-W48 PolarHBondContact O-N 3.39Å; S46-W48 PolarHBondContact O-N 2.94Å; W48-L56 HydrophobicContact CZ3-CD2 4.46Å; W48-P67 HydrophobicContact CH2-CG 4.24Å; W48-P67 HydrophobicContact CZ2-CG 3.35Å; W48-D69 HydrophobicContact CB-CB 3.97Å; W48-D69 HydrophobicContact CD2-CB 4.27Å; W48-D69 HydrophobicContact CG-CB 3.6Å; W48-I70 HydrophobicContact CE3-CB 4.3Å; W48-I70 HydrophobicContact CE3-CG1 4.4Å; W48-I70 HydrophobicContact CZ3-CB 4.06Å; W48-I70 HydrophobicContact CZ3-CD1 4.34Å; W48-I70 HydrophobicContact CZ3-CG1 3.92Å; W48-K72 HydrophobicContact CB-CD 4.38Å; W48-L73 HydrophobicContact CE3-CD1 3.94Å; W48-L73 HydrophobicContact CE3-CG 4.45Å; W48-L73 HydrophobicContact CZ3-CD1 4.23Å
49	T	94.3	Very high	94.2	Very high	102 Å²	102	54 Å²	54	63%	0.626	30%	0.3	S	S	*	.	G	3₁₀ helix	trans	-88.4	-6.9	173.3	67.9	0	0	0	0	112.3	S46 L47 T51	S46-T49 PolarHBondContact O-N 3.1Å; S46-T49 PolarHBondContact O-OG1 3.04Å; L47-T49 PolarHBondContact O-N 3.16Å; T49-T51 PolarHBondContact O-N 3.36Å
50	L	94.1	Very high	94.3	Very high	43 Å²	43	51.2 Å²	51.2	23%	0.225	29%	0.292	C	S	.	.			trans	-83.2	57.8	-179.6	-56.9	175.8	0	0	0	111.4	W31 L34 L47 H52 L53 L73	W31-L50 HydrophobicContact CH2-CD1 3.82Å; W31-L50 HydrophobicContact CH2-CD2 4.16Å; W31-L50 HydrophobicContact CZ3-CD1 4.46Å; L34-L50 HydrophobicContact CD2-CD1 4.13Å; L47-L50 HydrophobicContact CD1-CD1 3.94Å; L47-L50 WeakPolarHBondContact O-CB 3.49Å; L47-L50 PolarHBondContact O-N 2.87Å; L50-H52 PolarHBondContact O-N 3.19Å; L50-L53 HydrophobicContact CB-CD1 3.77Å; L50-L53 HydrophobicContact CB-CG 3.99Å; L50-L53 HydrophobicContact CD1-CD1 4.2Å; L50-L53 WeakPolarHBondContact O-CB 3.17Å; L50-L53 WeakPolarHBondContact O-CG 3.46Å; L50-L53 PolarHBondContact O-N 3.02Å; L50-L53 VanDerWaalsContact O-N 3.1Å; L50-L73 WeakPolarHBondContact O-CD2 3.47Å
51	T	93.3	Very high	94.4	Very high	56 Å²	56	50 Å²	50	34%	0.344	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-11.4	-173.1	57.8	0	0	0	0	114.8	T49 L53 N75	T49-T51 PolarHBondContact O-N 3.36Å; T51-L53 VanDerWaalsContact C-N 3.29Å; T51-N75 WeakPolarHBondContact O-CB 3.47Å; T51-N75 PolarHBondContact O-ND2 2.77Å
52	H	90.9	Very high	94.5	Very high	67 Å²	67	41.6 Å²	41.6	31%	0.31	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-10.2	175.4	61.1	-86.7	0	0	0	113.5	W31 L50	W31-H52 AromaticContact CE2-NE2 3.67Å; W31-H52 AromaticContact CH2-NE2 3.64Å; W31-H52 AromaticContact CZ2-CE1 3.99Å; W31-H52 AromaticContact CZ2-NE2 3.48Å; W31-H52 WeakPolarHBondContact CZ2-NE2 3.33Å; W31-H52 AromaticContact CZ3-NE2 3.97Å; W31-H52 PolarHBondContact O-CD2 3.09Å; L50-H52 PolarHBondContact O-N 3.19Å
53	L	93.8	Very high	94.8	Very high	0 Å²	0	37 Å²	37	0%	0	23%	0.225	C	C	.	.			trans	-66.1	133.4	179	-71.6	177.9	0	0	0	111.8	W31 A32 L34 L47 L50 T51 N75 L76	W31-L53 HydrophobicContact CE3-CD2 3.81Å; W31-L53 HydrophobicContact CH2-CD2 4.48Å; W31-L53 HydrophobicContact CZ3-CD2 3.56Å; W31-L53 HydrophobicContact CZ3-CG 4.44Å; A32-L53 CarbonylContact O-C 3.56Å; A32-L53 WeakPolarHBondContact O-CA 3.46Å; A32-L53 WeakPolarHBondContact O-CD2 3.42Å; L34-L53 HydrophobicContact CB-CD1 4.02Å; L34-L53 HydrophobicContact CB-CD2 3.96Å; L34-L53 HydrophobicContact CD2-CD1 4.18Å; L47-L53 HydrophobicContact CD1-CD1 4.38Å; L50-L53 HydrophobicContact CB-CD1 3.77Å; L50-L53 HydrophobicContact CB-CG 3.99Å; L50-L53 HydrophobicContact CD1-CD1 4.2Å; L50-L53 WeakPolarHBondContact O-CB 3.17Å; L50-L53 WeakPolarHBondContact O-CG 3.46Å; L50-L53 PolarHBondContact O-N 3.02Å; L50-L53 VanDerWaalsContact O-N 3.1Å; T51-L53 VanDerWaalsContact C-N 3.29Å; L53-N75 CarbonylContact O-C 3.43Å; L53-L76 HydrophobicContact CB-CD2 4Å; L53-L76 PolarHBondContact O-N 3.38Å
54	T	94.1	Very high	94.9	Very high	53 Å²	53	38.6 Å²	38.6	33%	0.325	24%	0.239	S	C	.	.	S	Bend	trans	-107.5	-23.5	172.3	62	0	0	0	0	112.4	A32 L76 V77 Y78	A32-T54 HydrophobicContact CB-CG2 4.22Å; A32-T54 VanDerWaalsContact CB-OG1 3.3Å; A32-T54 WeakPolarHBondContact CB-OG1 3.26Å; A32-T54 PolarHBondContact O-N 2.86Å; A32-T54 PolarHBondContact O-OG1 2.99Å; T54-L76 VanDerWaalsContact C-CD2 3.48Å; T54-V77 PolarHBondContact O-N 3.1Å; T54-Y78 PolarHBondContact O-N 3.32Å
55	A	94.1	Very high	94.9	Very high	2 Å²	2	44.2 Å²	44.2	2%	0.017	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	135.5	172.1	0	0	0	0	0	112.6	A32 E33 L34 Y78	A32-A55 PolarHBondContact O-N 2.93Å; A32-A55 VanDerWaalsContact O-N 3.1Å; E33-A55 WeakPolarHBondContact CA-O 3.26Å; E33-A55 HydrophobicContact CB-CB 4.12Å; E33-A55 HydrophobicContact CG-CB 3.81Å; L34-A55 PolarHBondContact N-O 3.36Å; A55-Y78 WeakPolarHBondContact CA-O 3.33Å; A55-Y78 HydrophobicContact CB-CD1 4.25Å; A55-Y78 HydrophobicContact CB-CG 4.45Å
56	L	96	Very high	95.1	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	113.8	175.8	-179.1	58.9	0	0	0	110.5	L34 L47 W48 L58 L73 L76 Y78 L79 D80	L34-L56 HydrophobicContact CB-CD1 4.08Å; L34-L56 HydrophobicContact CD2-CD1 4.24Å; L34-L56 HydrophobicContact CG-CD1 4.3Å; L47-L56 HydrophobicContact CD1-CD1 4.34Å; W48-L56 HydrophobicContact CZ3-CD2 4.46Å; L56-L58 HydrophobicContact CD1-CD1 4.41Å; L56-L58 HydrophobicContact CD1-CD2 4.15Å; L56-L58 HydrophobicContact CD1-CG 4.11Å; L56-L58 HydrophobicContact CD2-CD1 3.88Å; L56-L58 HydrophobicContact CD2-CG 4.41Å; L56-L58 HydrophobicContact CG-CD1 3.93Å; L56-L58 HydrophobicContact CG-CD2 4.49Å; L56-L58 HydrophobicContact CG-CG 3.92Å; L56-L73 HydrophobicContact CD2-CD1 3.93Å; L56-L76 HydrophobicContact CB-CD1 4.01Å; L56-L76 HydrophobicContact CB-CD2 3.8Å; L56-L76 HydrophobicContact CD2-CD1 4.2Å; L56-Y78 PolarHBondContact N-O 3.09Å; L56-L79 HydrophobicContact CB-CD1 4.09Å; L56-L79 HydrophobicContact CD2-CD1 4.1Å; L56-L79 HydrophobicContact CG-CD1 4.16Å; L56-D80 PolarHBondContact O-N 3Å
57	H	95.5	Very high	95.1	Very high	4 Å²	4	39.2 Å²	39.2	2%	0.019	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	112	179.3	-56	-85.9	0	0	0	110.2	R13 L34 E35 I36 Y78	R13-H57 PolarHBondContact NH2-ND1 2.84Å; L34-H57 PolarHBondContact O-N 3.33Å; E35-H57 WeakPolarHBondContact CA-O 3.44Å; E35-H57 HydrophobicContact CB-CB 4.01Å; E35-H57 HydrophobicContact CG-CB 4Å; I36-H57 PolarHBondContact N-O 3.46Å; H57-Y78 AromaticContact CE1-CD1 3.62Å; H57-Y78 AromaticContact CE1-CE1 3.17Å; H57-Y78 WeakPolarHBondContact CE1-CE1 3.49Å; H57-Y78 AromaticContact CE1-CZ 3.81Å; H57-Y78 AromaticContact ND1-CE1 3.27Å; H57-Y78 VanDerWaalsContact ND1-CE1 3.27Å; H57-Y78 WeakPolarHBondContact ND1-CE1 3.29Å
58	L	96.3	Very high	95	Very high	0 Å²	0	41 Å²	41	0%	0	23%	0.225	C	C	.	.			trans	-126.3	18.5	-179.9	-63.1	173.3	0	0	0	111.5	I36 L43 L56 N61 L63 D80 L81 N84	I36-L58 HydrophobicContact CB-CD2 3.72Å; I36-L58 HydrophobicContact CD1-CD2 3.89Å; I36-L58 HydrophobicContact CG1-CD2 4Å; L43-L58 HydrophobicContact CD1-CD1 3.75Å; L43-L58 HydrophobicContact CD1-CD2 4.25Å; L43-L58 HydrophobicContact CD2-CD2 4.04Å; L56-L58 HydrophobicContact CD1-CD1 4.41Å; L56-L58 HydrophobicContact CD1-CD2 4.15Å; L56-L58 HydrophobicContact CD1-CG 4.11Å; L56-L58 HydrophobicContact CD2-CD1 3.88Å; L56-L58 HydrophobicContact CD2-CG 4.41Å; L56-L58 HydrophobicContact CG-CD1 3.93Å; L56-L58 HydrophobicContact CG-CD2 4.49Å; L56-L58 HydrophobicContact CG-CG 3.92Å; L58-N61 PolarHBondContact O-ND2 3.44Å; L58-L63 HydrophobicContact CB-CD1 4.23Å; L58-L63 HydrophobicContact CD1-CD1 4.37Å; L58-D80 CarbonylContact C-O 3.55Å; L58-D80 WeakPolarHBondContact CA-O 3.38Å; L58-D80 WeakPolarHBondContact CB-O 3.44Å; L58-D80 PolarHBondContact N-O 2.84Å; L58-L81 HydrophobicContact CB-CD2 3.96Å; L58-L81 HydrophobicContact CD1-CD2 3.68Å; L58-L81 HydrophobicContact CG-CD2 4.45Å; L58-N84 PolarHBondContact O-ND2 3.44Å
59	S	95.8	Very high	95.1	Very high	18 Å²	18	43.3 Å²	43.3	13%	0.126	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	155.4	-180	61.7	0	0	0	0	112.4	N61 D80 S82	S59-N61 VanDerWaalsContact C-N 3.31Å; S59-N61 PolarHBondContact O-N 3.06Å; S59-N61 PolarHBondContact O-ND2 2.77Å; S59-D80 WeakPolarHBondContact CB-OD2 3.26Å; S59-D80 PolarHBondContact N-O 3.5Å; S59-S82 VanDerWaalsContact CA-O 3.26Å; S59-S82 WeakPolarHBondContact CA-O 3.41Å
60	D	96.4	Very high	95.1	Very high	105 Å²	105	38.5 Å²	38.5	56%	0.561	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.2	39.9	173.9	-58.3	-53.9	0	0	0	114.4	S82 S83	D60-S82 PolarHBondContact N-O 3.01Å; D60-S82 VanDerWaalsContact N-O 3.08Å; D60-S83 WeakPolarHBondContact OD1-CB 3.46Å; D60-S83 PolarHBondContact OD1-OG 3.36Å; D60-S83 VanDerWaalsContact OD1-OG 3.12Å
61	N	97.1	Very high	95.1	Very high	8 Å²	8	37.4 Å²	37.4	4%	0.043	21%	0.206	C	C	.	.	S	Bend	trans	-108.9	-166.4	174.2	-77.6	-63.5	0	0	0	111.9	I36 K39 V40 L58 S59 L63 N84	I36-N61 PolarHBondContact O-ND2 3.13Å; K39-N61 PolarHBondContact N-OD1 3.06Å; V40-N61 HydrophobicContact CB-CB 4.4Å; V40-N61 WeakPolarHBondContact CB-OD1 3.46Å; V40-N61 PolarHBondContact N-OD1 3.34Å; L58-N61 PolarHBondContact O-ND2 3.44Å; S59-N61 VanDerWaalsContact C-N 3.31Å; S59-N61 PolarHBondContact O-N 3.06Å; S59-N61 PolarHBondContact O-ND2 2.77Å; N61-L63 HydrophobicContact CB-CG 4.15Å; N61-N84 WeakPolarHBondContact CA-OD1 3.46Å; N61-N84 WeakPolarHBondContact CB-OD1 3.38Å; N61-N84 PolarHBondContact O-OD1 2.86Å
62	S	97.4	Very high	95.1	Very high	23 Å²	23	40.2 Å²	40.2	16%	0.161	21%	0.213	C	C	.	.			trans	-123.4	32.6	178	-74.6	0	0	0	0	111.4	V40 S64 N84	V40-S62 CarbonylContact O-C 3.23Å; V40-S62 VanDerWaalsContact O-C 3.23Å; V40-S62 WeakPolarHBondContact O-CA 3.43Å; V40-S62 PolarHBondContact O-N 3.29Å; S62-S64 PolarHBondContact O-N 2.73Å; S62-N84 PolarHBondContact N-OD1 3.34Å
63	L	97.4	Very high	95.3	Very high	3 Å²	3	37 Å²	37	2%	0.016	20%	0.198	C	C	.	.			trans	-68.3	124.3	178.9	-57.6	174.6	0	0	0	109.5	V40 L43 L58 N61 I66 N84 K85 I86	V40-L63 HydrophobicContact CG1-CD2 4.28Å; V40-L63 PolarHBondContact O-N 2.94Å; L43-L63 HydrophobicContact CD1-CD1 3.97Å; L43-L63 HydrophobicContact CD1-CD2 4.29Å; L43-L63 HydrophobicContact CD2-CD2 4.44Å; L43-L63 HydrophobicContact CG-CD1 4.45Å; L43-L63 HydrophobicContact CG-CD2 3.96Å; L58-L63 HydrophobicContact CB-CD1 4.23Å; L58-L63 HydrophobicContact CD1-CD1 4.37Å; N61-L63 HydrophobicContact CB-CG 4.15Å; L63-I66 HydrophobicContact CD1-CD1 3.87Å; L63-N84 HydrophobicContact CB-CB 4.35Å; L63-N84 VanDerWaalsContact CB-OD1 3.31Å; L63-N84 WeakPolarHBondContact CB-OD1 3.33Å; L63-N84 WeakPolarHBondContact CG-OD1 3.26Å; L63-N84 PolarHBondContact N-OD1 3.21Å; L63-K85 CarbonylContact O-C 3.23Å; L63-K85 VanDerWaalsContact O-C 3.23Å; L63-K85 VanDerWaalsContact O-CA 3.3Å; L63-K85 WeakPolarHBondContact O-CA 3.42Å; L63-K85 PolarHBondContact O-N 3.18Å; L63-I86 PolarHBondContact O-N 3.02Å
64	S	96	Very high	95.1	Very high	69 Å²	69	41.5 Å²	41.5	48%	0.483	22%	0.219	S	C	.	.	S	Bend	trans	-92.1	-18.9	176.3	57.4	0	0	0	0	113.2	S62	S62-S64 PolarHBondContact O-N 2.73Å
65	R	94.7	Very high	95	Very high	192 Å²	192	42.2 Å²	42.2	73%	0.725	22%	0.221	S	C	*	.			trans	-155	158.2	-179.3	65	-179.6	-175.8	-178.5	2.1	110.4
66	I	95.1	Very high	95	Very high	11 Å²	11	42.1 Å²	42.1	6%	0.056	22%	0.22	C	C	.	.			trans	-117.6	129.1	167.5	-64.5	-61.9	0	0	0	107.7	L43 L63 I70 L81 I86	L43-I66 HydrophobicContact CD1-CD1 4.28Å; L63-I66 HydrophobicContact CD1-CD1 3.87Å; I66-I70 HydrophobicContact CG2-CB 3.83Å; I66-I70 HydrophobicContact CG2-CD1 3.57Å; I66-I70 HydrophobicContact CG2-CG1 4.29Å; I66-I70 HydrophobicContact CG2-CG2 3.75Å; I66-L81 HydrophobicContact CD1-CD2 3.52Å; I66-L81 HydrophobicContact CG1-CD1 4.05Å; I66-L81 HydrophobicContact CG1-CD2 3.83Å; I66-I86 HydrophobicContact CD1-CD1 4.49Å; I66-I86 HydrophobicContact CG1-CD1 3.89Å
67	P	94.8	Very high	95	Very high	46 Å²	46	43.6 Å²	43.6	30%	0.299	23%	0.229	S	C	.	.			trans	-70.1	155.6	178.4	30.9	-34.9	0	0	0	111.1	W48 D69 I70	W48-P67 HydrophobicContact CH2-CG 4.24Å; W48-P67 HydrophobicContact CZ2-CG 3.35Å; P67-D69 PolarHBondContact O-N 3.18Å; P67-I70 WeakPolarHBondContact O-CG2 3.39Å; P67-I70 PolarHBondContact O-N 2.91Å
68	S	94.6	Very high	95.1	Very high	51 Å²	51	44.7 Å²	44.7	36%	0.357	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-60.7	-24.3	175.5	50.6	0	0	0	0	113.2	I70 A71 E92	S68-I70 PolarHBondContact O-N 3.41Å; S68-A71 WeakPolarHBondContact O-CB 3.21Å; S68-A71 PolarHBondContact O-N 3.5Å; S68-E92 VanDerWaalsContact CB-OE2 3.23Å; S68-E92 WeakPolarHBondContact CB-OE2 3.49Å
69	D	95.4	Very high	95.1	Very high	57 Å²	57	44.7 Å²	44.7	31%	0.305	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-55.7	-18.9	174.5	-67.8	-70	0	0	0	114.3	W48 P67 A71 K72	W48-D69 HydrophobicContact CB-CB 3.97Å; W48-D69 HydrophobicContact CD2-CB 4.27Å; W48-D69 HydrophobicContact CG-CB 3.6Å; P67-D69 PolarHBondContact O-N 3.18Å; D69-A71 PolarHBondContact O-N 2.95Å; D69-A71 VanDerWaalsContact O-N 3.12Å; D69-K72 HydrophobicContact CB-CD 4.37Å; D69-K72 VanDerWaalsContact O-CB 3.27Å; D69-K72 WeakPolarHBondContact O-CB 3.34Å; D69-K72 WeakPolarHBondContact O-CG 3.41Å; D69-K72 PolarHBondContact O-N 3.42Å; D69-K72 WeakPolarHBondContact OD1-CE 3.32Å; D69-K72 IonicContact OD1-NZ 2.68Å; D69-K72 PolarHBondContact OD1-NZ 3.25Å
70	I	95.1	Very high	95.2	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-54.7	-30.5	173.2	-165.8	166.6	0	0	0	112.1	W48 I66 P67 S68 K72 L73 L79 P90 L93 M96	W48-I70 HydrophobicContact CE3-CB 4.3Å; W48-I70 HydrophobicContact CE3-CG1 4.4Å; W48-I70 HydrophobicContact CZ3-CB 4.06Å; W48-I70 HydrophobicContact CZ3-CD1 4.34Å; W48-I70 HydrophobicContact CZ3-CG1 3.92Å; I66-I70 HydrophobicContact CG2-CB 3.83Å; I66-I70 HydrophobicContact CG2-CD1 3.57Å; I66-I70 HydrophobicContact CG2-CG1 4.29Å; I66-I70 HydrophobicContact CG2-CG2 3.75Å; P67-I70 WeakPolarHBondContact O-CG2 3.39Å; P67-I70 PolarHBondContact O-N 2.91Å; S68-I70 PolarHBondContact O-N 3.41Å; I70-K72 PolarHBondContact O-N 3.2Å; I70-K72 VanDerWaalsContact O-N 3.12Å; I70-L73 WeakPolarHBondContact O-CB 3.33Å; I70-L73 PolarHBondContact O-N 3.4Å; I70-L79 HydrophobicContact CD1-CD1 4.14Å; I70-L79 HydrophobicContact CD1-CD2 3.63Å; I70-P90 HydrophobicContact CG2-CG 4.26Å; I70-L93 HydrophobicContact CG2-CD1 4.31Å; I70-M96 HydrophobicContact CG1-CE 4.38Å; I70-M96 HydrophobicContact CG1-SD 4.15Å; I70-M96 HydrophobicContact CG2-SD 4.24Å
71	A	93	Very high	95.3	Very high	21 Å²	21	39.8 Å²	39.8	17%	0.174	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-63.4	-16.4	178.5	0	0	0	0	0	113.9	S68 D69 L73 E92 M96	S68-A71 WeakPolarHBondContact O-CB 3.21Å; S68-A71 PolarHBondContact O-N 3.5Å; D69-A71 PolarHBondContact O-N 2.95Å; D69-A71 VanDerWaalsContact O-N 3.12Å; A71-L73 PolarHBondContact O-N 3.49Å; A71-E92 HydrophobicContact CB-CB 3.73Å; A71-E92 VanDerWaalsContact CB-O 3.24Å; A71-E92 WeakPolarHBondContact CB-O 3.25Å; A71-M96 HydrophobicContact CB-CG 4.36Å
72	K	93.8	Very high	95.3	Very high	114 Å²	114	39.9 Å²	39.9	50%	0.496	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	-66.3	-24.1	173.5	-67.5	172.4	172.8	166.6	0	112.3	W48 D69 I70 H74	W48-K72 HydrophobicContact CB-CD 4.38Å; D69-K72 HydrophobicContact CB-CD 4.37Å; D69-K72 VanDerWaalsContact O-CB 3.27Å; D69-K72 WeakPolarHBondContact O-CB 3.34Å; D69-K72 WeakPolarHBondContact O-CG 3.41Å; D69-K72 PolarHBondContact O-N 3.42Å; D69-K72 WeakPolarHBondContact OD1-CE 3.32Å; D69-K72 IonicContact OD1-NZ 2.68Å; D69-K72 PolarHBondContact OD1-NZ 3.25Å; I70-K72 PolarHBondContact O-N 3.2Å; I70-K72 VanDerWaalsContact O-N 3.12Å; K72-H74 PolarHBondContact O-N 3.37Å; K72-H74 PolarHBondContact O-ND1 2.89Å
73	L	94.6	Very high	95.4	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.213	C	C	.	.			trans	-80.3	57.1	177.5	-54.6	-177.1	0	0	0	111.2	W48 L50 L56 I70 A71 N75 L76 M96	W48-L73 HydrophobicContact CE3-CD1 3.94Å; W48-L73 HydrophobicContact CE3-CG 4.45Å; W48-L73 HydrophobicContact CZ3-CD1 4.23Å; L50-L73 WeakPolarHBondContact O-CD2 3.47Å; L56-L73 HydrophobicContact CD2-CD1 3.93Å; I70-L73 WeakPolarHBondContact O-CB 3.33Å; I70-L73 PolarHBondContact O-N 3.4Å; A71-L73 PolarHBondContact O-N 3.49Å; L73-N75 PolarHBondContact O-N 2.73Å; L73-N75 VanDerWaalsContact O-N 3.13Å; L73-L76 HydrophobicContact CB-CD1 3.57Å; L73-L76 HydrophobicContact CB-CG 3.82Å; L73-L76 HydrophobicContact CD1-CD1 3.63Å; L73-L76 HydrophobicContact CD1-CG 4.43Å; L73-L76 HydrophobicContact CG-CD1 4.26Å; L73-L76 WeakPolarHBondContact O-CB 3.36Å; L73-L76 PolarHBondContact O-N 3.23Å; L73-M96 HydrophobicContact CB-CE 4.47Å
74	H	89.3	Confident	95.4	Very high	95 Å²	95	41 Å²	41	44%	0.44	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-16.9	-173.2	57.2	-85.2	0	0	0	114.9	K72 S98	K72-H74 PolarHBondContact O-N 3.37Å; K72-H74 PolarHBondContact O-ND1 2.89Å; H74-S98 WeakPolarHBondContact O-CB 3.26Å; H74-S98 PolarHBondContact O-OG 2.92Å
75	N	92	Very high	95.5	Very high	68 Å²	68	43.2 Å²	43.2	36%	0.364	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-1.7	176.1	-62.4	-43.9	0	0	0	113.3	T51 L53 L73 V77	T51-N75 WeakPolarHBondContact O-CB 3.47Å; T51-N75 PolarHBondContact O-ND2 2.77Å; L53-N75 CarbonylContact O-C 3.43Å; L73-N75 PolarHBondContact O-N 2.73Å; L73-N75 VanDerWaalsContact O-N 3.13Å; N75-V77 PolarHBondContact O-N 3.46Å
76	L	95.4	Very high	95.7	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.181	C	C	.	.			trans	-64.4	126.9	176.2	-81.4	178	0	0	0	110.6	L53 T54 L56 L73 M96 S98 L99	L53-L76 HydrophobicContact CB-CD2 4Å; L53-L76 PolarHBondContact O-N 3.38Å; T54-L76 VanDerWaalsContact C-CD2 3.48Å; L56-L76 HydrophobicContact CB-CD1 4.01Å; L56-L76 HydrophobicContact CB-CD2 3.8Å; L56-L76 HydrophobicContact CD2-CD1 4.2Å; L73-L76 HydrophobicContact CB-CD1 3.57Å; L73-L76 HydrophobicContact CB-CG 3.82Å; L73-L76 HydrophobicContact CD1-CD1 3.63Å; L73-L76 HydrophobicContact CD1-CG 4.43Å; L73-L76 HydrophobicContact CG-CD1 4.26Å; L73-L76 WeakPolarHBondContact O-CB 3.36Å; L73-L76 PolarHBondContact O-N 3.23Å; L76-M96 HydrophobicContact CB-CE 3.76Å; L76-M96 HydrophobicContact CD1-CE 3.6Å; L76-M96 HydrophobicContact CG-CE 4.25Å; L76-S98 CarbonylContact O-C 3.57Å; L76-L99 HydrophobicContact CB-CD2 4.09Å; L76-L99 WeakPolarHBondContact O-CD2 3.23Å; L76-L99 PolarHBondContact O-N 3.39Å
77	V	96	Very high	95.8	Very high	31 Å²	31	41.3 Å²	41.3	19%	0.188	21%	0.207	C	C	.	.	S	Bend	trans	-105.3	-31.6	174.8	-174.1	0	0	0	0	110.2	Y6 T54 N75 R100 E101	Y6-V77 HydrophobicContact CD2-CG1 3.94Å; Y6-V77 HydrophobicContact CE2-CB 4.41Å; Y6-V77 HydrophobicContact CE2-CG1 3.25Å; T54-V77 PolarHBondContact O-N 3.1Å; N75-V77 PolarHBondContact O-N 3.46Å; V77-R100 HydrophobicContact CG1-CB 3.77Å; V77-R100 HydrophobicContact CG1-CG 3.71Å; V77-R100 PolarHBondContact O-N 3.46Å; V77-E101 PolarHBondContact O-N 3.34Å
78	Y	96.3	Very high	95.8	Very high	27 Å²	27	42.4 Å²	42.4	11%	0.106	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	128	179.4	-178.3	-78.8	0	0	0	111.1	P9 T54 A55 L56 H57 D80 E101 H103	P9-Y78 HydrophobicContact CG-CD2 3.8Å; P9-Y78 HydrophobicContact CG-CE2 4.46Å; P9-Y78 HydrophobicContact CG-CG 3.95Å; T54-Y78 PolarHBondContact O-N 3.32Å; A55-Y78 WeakPolarHBondContact CA-O 3.33Å; A55-Y78 HydrophobicContact CB-CD1 4.25Å; A55-Y78 HydrophobicContact CB-CG 4.45Å; L56-Y78 PolarHBondContact N-O 3.09Å; H57-Y78 AromaticContact CE1-CD1 3.62Å; H57-Y78 AromaticContact CE1-CE1 3.17Å; H57-Y78 WeakPolarHBondContact CE1-CE1 3.49Å; H57-Y78 AromaticContact CE1-CZ 3.81Å; H57-Y78 AromaticContact ND1-CE1 3.27Å; H57-Y78 VanDerWaalsContact ND1-CE1 3.27Å; H57-Y78 WeakPolarHBondContact ND1-CE1 3.29Å; Y78-D80 HydrophobicContact CE1-CB 3.56Å; Y78-E101 HydrophobicContact CD2-CB 3.64Å; Y78-E101 HydrophobicContact CD2-CG 4.19Å; Y78-E101 HydrophobicContact CE2-CB 4.14Å; Y78-E101 VanDerWaalsContact CE2-OE2 3.27Å; Y78-E101 WeakPolarHBondContact CE2-OE2 3.38Å; Y78-E101 HydrophobicContact CG-CB 4.41Å; Y78-H103 AromaticContact CE2-CD2 3.67Å; Y78-H103 AromaticContact CE2-NE2 3.62Å; Y78-H103 AromaticContact CZ-CD2 3.69Å
79	L	97.8	Very high	95.9	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	117.5	174.1	175.7	58.7	0	0	0	110.5	L56 I70 L81 L93 L99 E101 L102 H103	L56-L79 HydrophobicContact CB-CD1 4.09Å; L56-L79 HydrophobicContact CD2-CD1 4.1Å; L56-L79 HydrophobicContact CG-CD1 4.16Å; I70-L79 HydrophobicContact CD1-CD1 4.14Å; I70-L79 HydrophobicContact CD1-CD2 3.63Å; L79-L81 HydrophobicContact CD1-CD1 4.32Å; L79-L81 HydrophobicContact CD1-CD2 4.39Å; L79-L81 HydrophobicContact CD1-CG 3.99Å; L79-L81 HydrophobicContact CD2-CD1 3.95Å; L79-L81 HydrophobicContact CD2-CG 4.48Å; L79-L81 HydrophobicContact CG-CD1 4.06Å; L79-L81 HydrophobicContact CG-CG 4.07Å; L79-L93 HydrophobicContact CD2-CD1 4.05Å; L79-L99 HydrophobicContact CB-CD2 3.87Å; L79-E101 PolarHBondContact N-O 3.21Å; L79-L102 HydrophobicContact CB-CD1 4.15Å; L79-L102 HydrophobicContact CD2-CD1 3.85Å; L79-L102 HydrophobicContact CG-CD1 3.99Å; L79-L102 WeakPolarHBondContact O-CA 3.32Å; L79-H103 PolarHBondContact O-N 2.98Å
80	D	97.6	Very high	95.9	Very high	18 Å²	18	39 Å²	39	10%	0.096	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	115.7	173.9	-171.1	4.8	0	0	0	111.9	L56 L58 S59 Y78 S82 H103	L56-D80 PolarHBondContact O-N 3Å; L58-D80 CarbonylContact C-O 3.55Å; L58-D80 WeakPolarHBondContact CA-O 3.38Å; L58-D80 WeakPolarHBondContact CB-O 3.44Å; L58-D80 PolarHBondContact N-O 2.84Å; S59-D80 WeakPolarHBondContact CB-OD2 3.26Å; S59-D80 PolarHBondContact N-O 3.5Å; Y78-D80 HydrophobicContact CE1-CB 3.56Å; D80-S82 WeakPolarHBondContact OD1-CB 3.18Å; D80-S82 PolarHBondContact OD1-N 3.49Å; D80-S82 PolarHBondContact OD1-OG 3.47Å; D80-H103 HydrophobicContact CB-CB 4.12Å; D80-H103 VanDerWaalsContact OD1-CB 3.26Å; D80-H103 WeakPolarHBondContact OD1-CB 3.06Å
81	L	97.8	Very high	95.8	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.005	21%	0.208	C	C	.	.			trans	-118.7	15.3	178.2	-69.7	168.6	0	0	0	111.1	L58 I66 L79 N84 I86 H103 L104 N107	L58-L81 HydrophobicContact CB-CD2 3.96Å; L58-L81 HydrophobicContact CD1-CD2 3.68Å; L58-L81 HydrophobicContact CG-CD2 4.45Å; I66-L81 HydrophobicContact CD1-CD2 3.52Å; I66-L81 HydrophobicContact CG1-CD1 4.05Å; I66-L81 HydrophobicContact CG1-CD2 3.83Å; L79-L81 HydrophobicContact CD1-CD1 4.32Å; L79-L81 HydrophobicContact CD1-CD2 4.39Å; L79-L81 HydrophobicContact CD1-CG 3.99Å; L79-L81 HydrophobicContact CD2-CD1 3.95Å; L79-L81 HydrophobicContact CD2-CG 4.48Å; L79-L81 HydrophobicContact CG-CD1 4.06Å; L79-L81 HydrophobicContact CG-CG 4.07Å; L81-N84 PolarHBondContact O-ND2 3.31Å; L81-I86 HydrophobicContact CB-CD1 3.94Å; L81-I86 HydrophobicContact CD1-CD1 4.34Å; L81-I86 HydrophobicContact CD2-CD1 4.18Å; L81-I86 HydrophobicContact CG-CD1 4.41Å; L81-H103 CarbonylContact C-O 3.53Å; L81-H103 WeakPolarHBondContact CA-O 3.35Å; L81-H103 PolarHBondContact N-O 3.16Å; L81-L104 HydrophobicContact CB-CD2 3.98Å; L81-L104 HydrophobicContact CD1-CD2 3.89Å; L81-N107 PolarHBondContact O-ND2 2.92Å
82	S	98.2	Very high	95.8	Very high	11 Å²	11	43.3 Å²	43.3	8%	0.077	22%	0.217	C	C	.	.			trans	-62.3	156.1	-176.6	-56.4	0	0	0	0	112.5	S59 D60 D80 N84 H103 N105	S59-S82 VanDerWaalsContact CA-O 3.26Å; S59-S82 WeakPolarHBondContact CA-O 3.41Å; D60-S82 PolarHBondContact N-O 3.01Å; D60-S82 VanDerWaalsContact N-O 3.08Å; D80-S82 WeakPolarHBondContact OD1-CB 3.18Å; D80-S82 PolarHBondContact OD1-N 3.49Å; D80-S82 PolarHBondContact OD1-OG 3.47Å; S82-N84 VanDerWaalsContact C-N 3.32Å; S82-N84 PolarHBondContact O-N 3.46Å; S82-N84 PolarHBondContact O-ND2 3.16Å; S82-N84 VanDerWaalsContact O-ND2 3.12Å; S82-H103 PolarHBondContact N-O 3.11Å; S82-H103 WeakPolarHBondContact OG-CB 3.48Å; S82-N105 CarbonylContact C-O 3.6Å; S82-N105 WeakPolarHBondContact CA-O 3.45Å; S82-N105 PolarHBondContact OG-N 2.89Å
83	S	98	Very high	95.8	Very high	40 Å²	40	38 Å²	38	28%	0.28	19%	0.194	S	C	.	.	S	Bend	trans	55.2	44.5	176.7	-56.1	0	0	0	0	113.2	D60 N105 N106	D60-S83 WeakPolarHBondContact OD1-CB 3.46Å; D60-S83 PolarHBondContact OD1-OG 3.36Å; D60-S83 VanDerWaalsContact OD1-OG 3.12Å; S83-N105 PolarHBondContact N-O 2.87Å; S83-N106 WeakPolarHBondContact CA-O 3.23Å
84	N	98.4	Very high	95.7	Very high	10 Å²	10	38 Å²	38	5%	0.053	19%	0.194	C	C	.	.	S	Bend	trans	-114.6	-164.9	173.5	-84.8	-78.6	0	0	0	110.4	L58 N61 S62 L63 L81 S82 I86 N107	L58-N84 PolarHBondContact O-ND2 3.44Å; N61-N84 WeakPolarHBondContact CA-OD1 3.46Å; N61-N84 WeakPolarHBondContact CB-OD1 3.38Å; N61-N84 PolarHBondContact O-OD1 2.86Å; S62-N84 PolarHBondContact N-OD1 3.34Å; L63-N84 HydrophobicContact CB-CB 4.35Å; L63-N84 VanDerWaalsContact CB-OD1 3.31Å; L63-N84 WeakPolarHBondContact CB-OD1 3.33Å; L63-N84 WeakPolarHBondContact CG-OD1 3.26Å; L63-N84 PolarHBondContact N-OD1 3.21Å; L81-N84 PolarHBondContact O-ND2 3.31Å; S82-N84 VanDerWaalsContact C-N 3.32Å; S82-N84 PolarHBondContact O-N 3.46Å; S82-N84 PolarHBondContact O-ND2 3.16Å; S82-N84 VanDerWaalsContact O-ND2 3.12Å; N84-I86 HydrophobicContact CB-CD1 4.08Å; N84-I86 HydrophobicContact CB-CG1 4Å; N84-N107 VanDerWaalsContact CA-OD1 3.31Å; N84-N107 WeakPolarHBondContact CA-OD1 3.39Å; N84-N107 WeakPolarHBondContact CB-OD1 3.43Å; N84-N107 PolarHBondContact N-OD1 2.93Å; N84-N107 PolarHBondContact O-OD1 2.87Å
85	K	97.8	Very high	95.8	Very high	115 Å²	115	35.8 Å²	35.8	50%	0.5	19%	0.186	S	C	.	.			trans	-118.3	28.6	179.2	-60.7	179.8	-178.7	175.4	0	111.5	L63 R87 N107 L108	L63-K85 CarbonylContact O-C 3.23Å; L63-K85 VanDerWaalsContact O-C 3.23Å; L63-K85 VanDerWaalsContact O-CA 3.3Å; L63-K85 WeakPolarHBondContact O-CA 3.42Å; L63-K85 PolarHBondContact O-N 3.18Å; K85-R87 PolarHBondContact O-N 3.35Å; K85-N107 PolarHBondContact N-OD1 2.97Å; K85-L108 HydrophobicContact CB-CD1 4.41Å
86	I	98.1	Very high	95.8	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.168	C	C	.	.			trans	-71.4	126.5	-173	-58.7	167.2	0	0	0	109.4	L63 I66 L81 N84 S88 L89 N107 L108 L109	L63-I86 PolarHBondContact O-N 3.02Å; I66-I86 HydrophobicContact CD1-CD1 4.49Å; I66-I86 HydrophobicContact CG1-CD1 3.89Å; L81-I86 HydrophobicContact CB-CD1 3.94Å; L81-I86 HydrophobicContact CD1-CD1 4.34Å; L81-I86 HydrophobicContact CD2-CD1 4.18Å; L81-I86 HydrophobicContact CG-CD1 4.41Å; N84-I86 HydrophobicContact CB-CD1 4.08Å; N84-I86 HydrophobicContact CB-CG1 4Å; I86-S88 VanDerWaalsContact CG2-O 3.22Å; I86-S88 WeakPolarHBondContact CG2-O 3.36Å; I86-L89 HydrophobicContact CG2-CD2 4.14Å; I86-N107 HydrophobicContact CB-CB 4.37Å; I86-N107 WeakPolarHBondContact CB-OD1 3.39Å; I86-N107 WeakPolarHBondContact CG1-OD1 3.33Å; I86-N107 PolarHBondContact N-OD1 3.13Å; I86-L108 CarbonylContact O-C 3.33Å; I86-L108 VanDerWaalsContact O-CA 3.28Å; I86-L108 WeakPolarHBondContact O-CA 3.25Å; I86-L108 WeakPolarHBondContact O-CB 3.44Å; I86-L108 PolarHBondContact O-N 3.1Å; I86-L109 HydrophobicContact CG2-CD2 3.92Å; I86-L109 PolarHBondContact O-N 3.05Å
87	R	96.9	Very high	95.6	Very high	163 Å²	163	33.8 Å²	33.8	62%	0.615	18%	0.176	S	C	*	.			trans	-99.2	-24.2	-179.3	-67.2	177.4	179.6	-111.5	0.8	114	K85 L108	K85-R87 PolarHBondContact O-N 3.35Å; R87-L108 HydrophobicContact CG-CB 3.94Å; R87-L108 HydrophobicContact CG-CD1 4.35Å
88	S	95.4	Very high	95.4	Very high	68 Å²	68	33.8 Å²	33.8	48%	0.476	18%	0.177	S	C	.	.			trans	-153.6	152.4	-179.5	57.2	0	0	0	0	110	I86	I86-S88 VanDerWaalsContact CG2-O 3.22Å; I86-S88 WeakPolarHBondContact CG2-O 3.36Å
89	L	97.1	Very high	95.4	Very high	16 Å²	16	32.5 Å²	32.5	8%	0.084	17%	0.172	C	C	.	.			trans	-101	146.4	172.6	-58.1	171.5	0	0	0	109.9	I86 L93 L104 L109 L112 P113	I86-L89 HydrophobicContact CG2-CD2 4.14Å; L89-L93 HydrophobicContact CB-CD2 4.19Å; L89-L93 HydrophobicContact CD1-CD2 3.94Å; L89-L93 HydrophobicContact CD2-CD2 4.22Å; L89-L93 HydrophobicContact CG-CD2 4.33Å; L89-L104 HydrophobicContact CD1-CD1 3.62Å; L89-L104 HydrophobicContact CD1-CD2 4.34Å; L89-L104 HydrophobicContact CD2-CD2 3.75Å; L89-L109 HydrophobicContact CD1-CD1 4.29Å; L89-L109 HydrophobicContact CD2-CD2 4.22Å; L89-L109 HydrophobicContact CG-CD1 4.41Å; L89-L109 HydrophobicContact CG-CD2 3.92Å; L89-L112 HydrophobicContact CD1-CD2 4.17Å; L89-P113 HydrophobicContact CB-CG 3.99Å
90	P	95.2	Very high	95.3	Very high	20 Å²	20	34.5 Å²	34.5	13%	0.13	18%	0.18	C	C	.	.			trans	-65.9	146.3	169.1	28.7	-32.6	0	0	0	110.5	I70 E92 L93	I70-P90 HydrophobicContact CG2-CG 4.26Å; P90-E92 WeakPolarHBondContact CB-OE2 3.35Å; P90-E92 PolarHBondContact O-N 3.22Å; P90-L93 HydrophobicContact CG-CB 4.42Å; P90-L93 VanDerWaalsContact O-CB 3.3Å; P90-L93 WeakPolarHBondContact O-CB 3.33Å; P90-L93 PolarHBondContact O-N 2.99Å
91	A	92.5	Very high	95.3	Very high	34 Å²	34	34.9 Å²	34.9	28%	0.281	18%	0.181	S	C	.	.	G	3₁₀ helix	trans	-63.3	-33.3	177.5	0	0	0	0	0	111.6	L93 G94 E115	A91-L93 PolarHBondContact O-N 3.16Å; A91-L93 VanDerWaalsContact O-N 3.1Å; A91-G94 PolarHBondContact O-N 3.02Å; A91-E115 HydrophobicContact CB-CB 4.38Å; A91-E115 HydrophobicContact CB-CG 3.89Å; A91-E115 WeakPolarHBondContact O-CB 3.37Å
92	E	93.9	Very high	95.3	Very high	78 Å²	78	34.8 Å²	34.8	36%	0.364	18%	0.18	S	C	.	.	G	3₁₀ helix	trans	-63.2	-16.9	-179.8	-60.8	84.9	165.6	0	0	113	S68 A71 P90 G94 N95	S68-E92 VanDerWaalsContact CB-OE2 3.23Å; S68-E92 WeakPolarHBondContact CB-OE2 3.49Å; A71-E92 HydrophobicContact CB-CB 3.73Å; A71-E92 VanDerWaalsContact CB-O 3.24Å; A71-E92 WeakPolarHBondContact CB-O 3.25Å; P90-E92 WeakPolarHBondContact CB-OE2 3.35Å; P90-E92 PolarHBondContact O-N 3.22Å; E92-G94 PolarHBondContact O-N 3.46Å; E92-G94 VanDerWaalsContact O-N 3.17Å; E92-N95 WeakPolarHBondContact O-CB 3.34Å; E92-N95 PolarHBondContact O-N 3.03Å
93	L	94.8	Very high	95.3	Very high	2 Å²	2	35.8 Å²	35.8	1%	0.01	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-56.1	-30.2	170.3	-171.5	63.5	0	0	0	111.5	I70 L79 L89 P90 A91 N95 M96 L99 L102 L116	I70-L93 HydrophobicContact CG2-CD1 4.31Å; L79-L93 HydrophobicContact CD2-CD1 4.05Å; L89-L93 HydrophobicContact CB-CD2 4.19Å; L89-L93 HydrophobicContact CD1-CD2 3.94Å; L89-L93 HydrophobicContact CD2-CD2 4.22Å; L89-L93 HydrophobicContact CG-CD2 4.33Å; P90-L93 HydrophobicContact CG-CB 4.42Å; P90-L93 VanDerWaalsContact O-CB 3.3Å; P90-L93 WeakPolarHBondContact O-CB 3.33Å; P90-L93 PolarHBondContact O-N 2.99Å; A91-L93 PolarHBondContact O-N 3.16Å; A91-L93 VanDerWaalsContact O-N 3.1Å; L93-N95 PolarHBondContact O-N 3.08Å; L93-M96 HydrophobicContact CD1-SD 3.59Å; L93-M96 VanDerWaalsContact CD1-SD 3.59Å; L93-M96 PolarHBondContact O-N 3.39Å; L93-L99 HydrophobicContact CD1-CD1 4.39Å; L93-L102 HydrophobicContact CD2-CD2 4.05Å; L93-L116 HydrophobicContact CD2-CD1 3.82Å; L93-L116 HydrophobicContact CG-CD1 4.12Å
94	G	92.2	Very high	95.3	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-64.3	-17.6	174.3	0	0	0	0	0	115	A91 E92 M96 E115 K118	A91-G94 PolarHBondContact O-N 3.02Å; E92-G94 PolarHBondContact O-N 3.46Å; E92-G94 VanDerWaalsContact O-N 3.17Å; G94-M96 VanDerWaalsContact C-N 3.3Å; G94-E115 WeakPolarHBondContact CA-O 3.14Å; G94-K118 VanDerWaalsContact O-CB 3.24Å; G94-K118 WeakPolarHBondContact O-CB 3.09Å
95	N	90.4	Very high	95.3	Very high	50 Å²	50	35.1 Å²	35.1	27%	0.267	18%	0.177	S	C	.	.	G	3₁₀ helix	trans	-82.5	-8.7	178	-63.5	-16.1	0	0	0	112.6	E92 L93 V97	E92-N95 WeakPolarHBondContact O-CB 3.34Å; E92-N95 PolarHBondContact O-N 3.03Å; L93-N95 PolarHBondContact O-N 3.08Å; N95-V97 PolarHBondContact O-N 3.12Å
96	M	93.2	Very high	95.3	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.176	C	C	.	.			trans	-83.5	56.5	179.6	-62.1	175.9	64	0	0	111.6	I70 A71 L73 L76 L93 G94 S98 L99 L119	I70-M96 HydrophobicContact CG1-CE 4.38Å; I70-M96 HydrophobicContact CG1-SD 4.15Å; I70-M96 HydrophobicContact CG2-SD 4.24Å; A71-M96 HydrophobicContact CB-CG 4.36Å; L73-M96 HydrophobicContact CB-CE 4.47Å; L76-M96 HydrophobicContact CB-CE 3.76Å; L76-M96 HydrophobicContact CD1-CE 3.6Å; L76-M96 HydrophobicContact CG-CE 4.25Å; L93-M96 HydrophobicContact CD1-SD 3.59Å; L93-M96 VanDerWaalsContact CD1-SD 3.59Å; L93-M96 PolarHBondContact O-N 3.39Å; G94-M96 VanDerWaalsContact C-N 3.3Å; M96-S98 PolarHBondContact O-N 3.01Å; M96-L99 HydrophobicContact CB-CD1 3.67Å; M96-L99 HydrophobicContact CB-CG 3.96Å; M96-L99 HydrophobicContact CE-CD1 4.04Å; M96-L99 HydrophobicContact CE-CD2 4.38Å; M96-L99 HydrophobicContact CE-CG 4.26Å; M96-L99 WeakPolarHBondContact O-CB 3.43Å; M96-L99 WeakPolarHBondContact O-CG 3.19Å; M96-L99 PolarHBondContact O-N 3.35Å; M96-L99 HydrophobicContact SD-CD1 4.33Å; M96-L119 HydrophobicContact CB-CD2 4.46Å; M96-L119 VanDerWaalsContact O-CD2 3.23Å; M96-L119 WeakPolarHBondContact O-CD2 3.46Å
97	V	91.3	Very high	95.3	Very high	26 Å²	26	34.1 Å²	34.1	16%	0.158	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-17.6	-170.4	-66.2	0	0	0	0	115.2	N95 L99 F120 Q121 F484	N95-V97 PolarHBondContact O-N 3.12Å; V97-L99 VanDerWaalsContact C-N 3.28Å; V97-L99 PolarHBondContact O-N 2.79Å; V97-F120 HydrophobicContact CB-CE1 4.07Å; V97-F120 HydrophobicContact CG1-CE1 4.19Å; V97-Q121 WeakPolarHBondContact O-CB 3.3Å; V97-Q121 WeakPolarHBondContact O-CG 3.43Å; V97-Q121 PolarHBondContact O-OE1 2.94Å; V97-Q121 VanDerWaalsContact O-OE1 3.14Å; V97-F484 HydrophobicContact CB-CE2 4.2Å; V97-F484 HydrophobicContact CG2-CE2 3.52Å; V97-F484 HydrophobicContact CG2-CZ 4.06Å
98	S	91.8	Very high	95.4	Very high	31 Å²	31	29.8 Å²	29.8	22%	0.217	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-13.7	174.1	-48.7	0	0	0	0	114.1	H74 L76 M96 R100	H74-S98 WeakPolarHBondContact O-CB 3.26Å; H74-S98 PolarHBondContact O-OG 2.92Å; L76-S98 CarbonylContact O-C 3.57Å; M96-S98 PolarHBondContact O-N 3.01Å; S98-R100 PolarHBondContact O-N 3.08Å
99	L	95.4	Very high	95.5	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.143	C	C	.	.			trans	-62.6	128.6	-178.7	-79.3	173.5	0	0	0	111.2	L76 L79 L93 M96 V97 L119 Q121 L122	L76-L99 HydrophobicContact CB-CD2 4.09Å; L76-L99 WeakPolarHBondContact O-CD2 3.23Å; L76-L99 PolarHBondContact O-N 3.39Å; L79-L99 HydrophobicContact CB-CD2 3.87Å; L93-L99 HydrophobicContact CD1-CD1 4.39Å; M96-L99 HydrophobicContact CB-CD1 3.67Å; M96-L99 HydrophobicContact CB-CG 3.96Å; M96-L99 HydrophobicContact CE-CD1 4.04Å; M96-L99 HydrophobicContact CE-CD2 4.38Å; M96-L99 HydrophobicContact CE-CG 4.26Å; M96-L99 WeakPolarHBondContact O-CB 3.43Å; M96-L99 WeakPolarHBondContact O-CG 3.19Å; M96-L99 PolarHBondContact O-N 3.35Å; M96-L99 HydrophobicContact SD-CD1 4.33Å; V97-L99 VanDerWaalsContact C-N 3.28Å; V97-L99 PolarHBondContact O-N 2.79Å; L99-L119 HydrophobicContact CD1-CD1 4.15Å; L99-Q121 CarbonylContact O-C 3.21Å; L99-L122 HydrophobicContact CB-CD1 4.06Å; L99-L122 WeakPolarHBondContact O-CA 3.26Å; L99-L122 PolarHBondContact O-N 3.16Å
100	R	96	Very high	95.5	Very high	42 Å²	42	33.8 Å²	33.8	16%	0.158	17%	0.169	C	C	.	.	S	Bend	trans	-110.1	-29.2	173.3	-65.6	179.5	-174.1	-108.8	6.2	111.8	Y6 V77 S98 Q123 T124	Y6-R100 HydrophobicContact CD1-CB 4.12Å; Y6-R100 HydrophobicContact CE1-CB 3.89Å; Y6-R100 HydrophobicContact CE2-CB 4.42Å; Y6-R100 HydrophobicContact CG-CB 4.45Å; Y6-R100 HydrophobicContact CG-CG 4.49Å; V77-R100 HydrophobicContact CG1-CB 3.77Å; V77-R100 HydrophobicContact CG1-CG 3.71Å; V77-R100 PolarHBondContact O-N 3.46Å; S98-R100 PolarHBondContact O-N 3.08Å; R100-Q123 HydrophobicContact CB-CG 4.43Å; R100-Q123 PolarHBondContact O-N 2.96Å; R100-T124 PolarHBondContact O-N 2.91Å
101	E	97	Very high	95.4	Very high	25 Å²	25	37.4 Å²	37.4	12%	0.117	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	125.4	176	-61.8	-163	-155.3	0	0	111.8	Y6 P8 V77 Y78 L79 H103 T124	Y6-E101 HydrophobicContact CE1-CG 4.01Å; Y6-E101 WeakPolarHBondContact CE1-OE1 3.45Å; P8-E101 WeakPolarHBondContact CB-OE1 3.35Å; V77-E101 PolarHBondContact O-N 3.34Å; Y78-E101 HydrophobicContact CD2-CB 3.64Å; Y78-E101 HydrophobicContact CD2-CG 4.19Å; Y78-E101 HydrophobicContact CE2-CB 4.14Å; Y78-E101 VanDerWaalsContact CE2-OE2 3.27Å; Y78-E101 WeakPolarHBondContact CE2-OE2 3.38Å; Y78-E101 HydrophobicContact CG-CB 4.41Å; L79-E101 PolarHBondContact N-O 3.21Å; E101-H103 IonicContact OE2-CD2 2.64Å; E101-H103 IonicContact OE2-CE1 3.53Å; E101-H103 IonicContact OE2-NE2 3.42Å; E101-H103 PolarHBondContact OE2-NE2 3.33Å; E101-T124 WeakPolarHBondContact CA-O 3.38Å
102	L	98	Very high	95.6	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	107.1	176.1	176.1	57.6	0	0	0	109.1	L79 L93 L104 L116 L119 L122 T124 L125 G126	L79-L102 HydrophobicContact CB-CD1 4.15Å; L79-L102 HydrophobicContact CD2-CD1 3.85Å; L79-L102 HydrophobicContact CG-CD1 3.99Å; L79-L102 WeakPolarHBondContact O-CA 3.32Å; L93-L102 HydrophobicContact CD2-CD2 4.05Å; L102-L104 HydrophobicContact CD1-CD1 4.41Å; L102-L104 HydrophobicContact CD1-CD2 4.2Å; L102-L104 HydrophobicContact CD1-CG 4.09Å; L102-L104 HydrophobicContact CD2-CD1 3.99Å; L102-L104 HydrophobicContact CG-CD1 3.95Å; L102-L104 HydrophobicContact CG-CG 4Å; L102-L116 HydrophobicContact CD2-CD1 3.85Å; L102-L119 HydrophobicContact CD2-CD1 4.23Å; L102-L122 HydrophobicContact CB-CD1 3.74Å; L102-L122 HydrophobicContact CB-CD2 4.19Å; L102-T124 PolarHBondContact N-O 2.83Å; L102-L125 HydrophobicContact CB-CD1 4.2Å; L102-L125 HydrophobicContact CD2-CD1 3.97Å; L102-L125 HydrophobicContact CG-CD1 4.04Å; L102-L125 CarbonylContact O-C 3.44Å; L102-L125 WeakPolarHBondContact O-CA 3.41Å; L102-G126 PolarHBondContact O-N 2.93Å
103	H	98.1	Very high	95.6	Very high	31 Å²	31	33.7 Å²	33.7	14%	0.144	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	119.3	-179.4	-62.2	-80.5	0	0	0	110.1	Y78 L79 D80 L81 S82 E101	Y78-H103 AromaticContact CE2-CD2 3.67Å; Y78-H103 AromaticContact CE2-NE2 3.62Å; Y78-H103 AromaticContact CZ-CD2 3.69Å; L79-H103 PolarHBondContact O-N 2.98Å; D80-H103 HydrophobicContact CB-CB 4.12Å; D80-H103 VanDerWaalsContact OD1-CB 3.26Å; D80-H103 WeakPolarHBondContact OD1-CB 3.06Å; L81-H103 CarbonylContact C-O 3.53Å; L81-H103 WeakPolarHBondContact CA-O 3.35Å; L81-H103 PolarHBondContact N-O 3.16Å; S82-H103 PolarHBondContact N-O 3.11Å; S82-H103 WeakPolarHBondContact OG-CB 3.48Å; E101-H103 IonicContact OE2-CD2 2.64Å; E101-H103 IonicContact OE2-CE1 3.53Å; E101-H103 IonicContact OE2-NE2 3.42Å; E101-H103 PolarHBondContact OE2-NE2 3.33Å
104	L	98.1	Very high	95.5	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.18	C	C	.	.			trans	-127.6	16.9	-176.9	-62.9	164.3	0	0	0	111.6	L81 L89 L102 N107 L109 L125 G126 L127 N130	L81-L104 HydrophobicContact CB-CD2 3.98Å; L81-L104 HydrophobicContact CD1-CD2 3.89Å; L89-L104 HydrophobicContact CD1-CD1 3.62Å; L89-L104 HydrophobicContact CD1-CD2 4.34Å; L89-L104 HydrophobicContact CD2-CD2 3.75Å; L102-L104 HydrophobicContact CD1-CD1 4.41Å; L102-L104 HydrophobicContact CD1-CD2 4.2Å; L102-L104 HydrophobicContact CD1-CG 4.09Å; L102-L104 HydrophobicContact CD2-CD1 3.99Å; L102-L104 HydrophobicContact CG-CD1 3.95Å; L102-L104 HydrophobicContact CG-CG 4Å; L104-N107 PolarHBondContact O-ND2 2.94Å; L104-N107 VanDerWaalsContact O-ND2 3.07Å; L104-L109 HydrophobicContact CB-CD1 4.03Å; L104-L109 HydrophobicContact CD1-CD1 4.11Å; L104-L109 HydrophobicContact CD2-CD1 4.46Å; L104-L109 HydrophobicContact CG-CD1 4.46Å; L104-L125 HydrophobicContact CD1-CD1 4.08Å; L104-G126 CarbonylContact C-O 3.57Å; L104-G126 WeakPolarHBondContact CA-O 3.25Å; L104-G126 VanDerWaalsContact CB-O 3.23Å; L104-G126 WeakPolarHBondContact CB-O 3.09Å; L104-G126 PolarHBondContact N-O 2.86Å; L104-L127 HydrophobicContact CB-CD2 4.26Å; L104-L127 HydrophobicContact CD1-CD2 3.91Å; L104-N130 PolarHBondContact O-ND2 3.42Å
105	N	98.1	Very high	95.6	Very high	36 Å²	36	38.4 Å²	38.4	19%	0.193	19%	0.191	C	C	.	.			trans	-60.6	151	-173	-57.3	-71.4	0	0	0	111.2	S82 S83 N107 G126 L127 K128	S82-N105 CarbonylContact C-O 3.6Å; S82-N105 WeakPolarHBondContact CA-O 3.45Å; S82-N105 PolarHBondContact OG-N 2.89Å; S83-N105 PolarHBondContact N-O 2.87Å; N105-N107 PolarHBondContact O-N 3.49Å; N105-N107 PolarHBondContact O-ND2 2.98Å; N105-G126 PolarHBondContact N-O 3.49Å; N105-G126 WeakPolarHBondContact OD1-CA 3.16Å; N105-L127 PolarHBondContact OD1-N 2.89Å; N105-K128 CarbonylContact C-O 3.53Å; N105-K128 WeakPolarHBondContact CA-O 3.39Å; N105-K128 WeakPolarHBondContact OD1-CB 3.34Å; N105-K128 PolarHBondContact OD1-N 2.79Å
106	N	98.3	Very high	95.8	Very high	90 Å²	90	36 Å²	36	48%	0.481	18%	0.178	S	C	.	.	S	Bend	trans	52.9	49.8	175	-53.3	-40.5	0	0	0	113.2	S83 K128	S83-N106 WeakPolarHBondContact CA-O 3.23Å; N106-K128 PolarHBondContact N-O 2.76Å
107	N	98.6	Very high	95.8	Very high	5 Å²	5	36 Å²	36	3%	0.027	18%	0.178	C	C	.	.	S	Bend	trans	-113.6	-167.3	170.7	-85.5	-75.6	0	0	0	110.1	L81 N84 K85 I86 L104 N105 L109 N130	L81-N107 PolarHBondContact O-ND2 2.92Å; N84-N107 VanDerWaalsContact CA-OD1 3.31Å; N84-N107 WeakPolarHBondContact CA-OD1 3.39Å; N84-N107 WeakPolarHBondContact CB-OD1 3.43Å; N84-N107 PolarHBondContact N-OD1 2.93Å; N84-N107 PolarHBondContact O-OD1 2.87Å; K85-N107 PolarHBondContact N-OD1 2.97Å; I86-N107 HydrophobicContact CB-CB 4.37Å; I86-N107 WeakPolarHBondContact CB-OD1 3.39Å; I86-N107 WeakPolarHBondContact CG1-OD1 3.33Å; I86-N107 PolarHBondContact N-OD1 3.13Å; L104-N107 PolarHBondContact O-ND2 2.94Å; L104-N107 VanDerWaalsContact O-ND2 3.07Å; N105-N107 PolarHBondContact O-N 3.49Å; N105-N107 PolarHBondContact O-ND2 2.98Å; N107-L109 HydrophobicContact CB-CG 4.26Å; N107-N130 VanDerWaalsContact CA-OD1 3.24Å; N107-N130 WeakPolarHBondContact CA-OD1 3.41Å; N107-N130 WeakPolarHBondContact CB-OD1 3.45Å; N107-N130 PolarHBondContact N-OD1 3.35Å; N107-N130 PolarHBondContact O-OD1 3.25Å
108	L	98	Very high	95.9	Very high	72 Å²	72	36.7 Å²	36.7	38%	0.377	18%	0.179	S	C	.	.			trans	-114	28	-179.4	-60.4	173.9	0	0	0	111.8	K85 I86 R87 R110 N130	K85-L108 HydrophobicContact CB-CD1 4.41Å; I86-L108 CarbonylContact O-C 3.33Å; I86-L108 VanDerWaalsContact O-CA 3.28Å; I86-L108 WeakPolarHBondContact O-CA 3.25Å; I86-L108 WeakPolarHBondContact O-CB 3.44Å; I86-L108 PolarHBondContact O-N 3.1Å; R87-L108 HydrophobicContact CG-CB 3.94Å; R87-L108 HydrophobicContact CG-CD1 4.35Å; L108-R110 PolarHBondContact O-N 2.94Å; L108-N130 PolarHBondContact N-OD1 3.3Å
109	L	97.9	Very high	96	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	17%	0.169	C	C	.	.			trans	-67.7	122.3	-178.8	-60.7	172.5	0	0	0	110.6	I86 L89 L104 N107 L112 N130 P131 L132	I86-L109 HydrophobicContact CG2-CD2 3.92Å; I86-L109 PolarHBondContact O-N 3.05Å; L89-L109 HydrophobicContact CD1-CD1 4.29Å; L89-L109 HydrophobicContact CD2-CD2 4.22Å; L89-L109 HydrophobicContact CG-CD1 4.41Å; L89-L109 HydrophobicContact CG-CD2 3.92Å; L104-L109 HydrophobicContact CB-CD1 4.03Å; L104-L109 HydrophobicContact CD1-CD1 4.11Å; L104-L109 HydrophobicContact CD2-CD1 4.46Å; L104-L109 HydrophobicContact CG-CD1 4.46Å; N107-L109 HydrophobicContact CB-CG 4.26Å; L109-L112 HydrophobicContact CD1-CD2 4.26Å; L109-N130 HydrophobicContact CB-CB 4.1Å; L109-N130 VanDerWaalsContact CB-OD1 3.3Å; L109-N130 WeakPolarHBondContact CB-OD1 3.3Å; L109-N130 WeakPolarHBondContact CG-OD1 3.26Å; L109-N130 PolarHBondContact N-OD1 3.27Å; L109-P131 CarbonylContact O-C 3.42Å; L109-P131 VanDerWaalsContact O-C 3.25Å; L109-P131 WeakPolarHBondContact O-CD 3.32Å; L109-P131 WeakPolarHBondContact O-CG 3.36Å; L109-L132 HydrophobicContact CB-CD2 4.14Å; L109-L132 PolarHBondContact O-N 2.9Å
110	R	95.9	Very high	95.8	Very high	167 Å²	167	37.7 Å²	37.7	63%	0.63	18%	0.18	S	C	*	.	S	Bend	trans	-99.6	-26.9	173.9	-66.5	-178.4	179.4	-177.9	-3.3	113.3	L108 P131	L108-R110 PolarHBondContact O-N 2.94Å; R110-P131 WeakPolarHBondContact CA-O 2.84Å; R110-P131 HydrophobicContact CG-CG 3.97Å
111	V	94.1	Very high	95.6	Very high	96 Å²	96	37.8 Å²	37.8	58%	0.582	18%	0.182	S	C	*	.			trans	-140.5	155.1	-179.8	-63.5	0	0	0	0	109.1
112	L	95.9	Very high	95.5	Very high	13 Å²	13	36.8 Å²	36.8	7%	0.068	18%	0.177	C	C	.	.			trans	-109.4	140.3	170.4	-60.4	175.4	0	0	0	108.8	L89 L109 L116 L127 L132 I136 L149 L153	L89-L112 HydrophobicContact CD1-CD2 4.17Å; L109-L112 HydrophobicContact CD1-CD2 4.26Å; L112-L116 HydrophobicContact CD1-CD2 4.44Å; L112-L127 HydrophobicContact CD1-CD1 3.85Å; L112-L127 HydrophobicContact CD1-CD2 4.3Å; L112-L127 HydrophobicContact CD2-CD2 3.95Å; L112-L132 HydrophobicContact CD2-CD2 4.23Å; L112-L132 HydrophobicContact CG-CD2 4.05Å; L112-I136 HydrophobicContact CD1-CG2 4.08Å; L112-L149 HydrophobicContact CD1-CD2 3.85Å; L112-L153 HydrophobicContact CB-CD1 4.32Å; L112-L153 HydrophobicContact CD1-CD1 4.41Å
113	P	94.5	Very high	95.2	Very high	21 Å²	21	41.2 Å²	41.2	14%	0.136	20%	0.198	C	C	.	.			trans	-64.2	139.4	170.6	27.4	-32.1	0	0	0	109.8	L89 E115 L116	L89-P113 HydrophobicContact CB-CG 3.99Å; P113-E115 WeakPolarHBondContact CB-OE2 3.27Å; P113-E115 PolarHBondContact O-N 3.3Å; P113-L116 HydrophobicContact CG-CB 4.47Å; P113-L116 VanDerWaalsContact O-CB 3.27Å; P113-L116 WeakPolarHBondContact O-CB 3.38Å; P113-L116 PolarHBondContact O-N 3.37Å; P113-L116 VanDerWaalsContact O-N 3.12Å
114	F	93.5	Very high	95	Very high	52 Å²	52	42.4 Å²	42.4	23%	0.228	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-63.9	-26.1	178.1	-74.9	-84.7	0	0	0	111.6	L116 G117 Y152 L153 N156 L157 T160	F114-L116 PolarHBondContact O-N 3Å; F114-L116 VanDerWaalsContact O-N 3.13Å; F114-G117 PolarHBondContact O-N 2.85Å; F114-Y152 HydrophobicContact CE1-CE1 4.29Å; F114-L153 HydrophobicContact CD1-CB 4.41Å; F114-L153 HydrophobicContact CD1-CD2 3.84Å; F114-L153 WeakPolarHBondContact CD1-O 3.27Å; F114-L153 HydrophobicContact CE1-CD2 4.13Å; F114-L153 HydrophobicContact CG-CD2 4.41Å; F114-N156 HydrophobicContact CD1-CB 3.72Å; F114-N156 HydrophobicContact CE1-CB 3.45Å; F114-N156 VanDerWaalsContact CE1-CB 3.45Å; F114-N156 HydrophobicContact CZ-CB 4.41Å; F114-L157 HydrophobicContact CB-CB 4.33Å; F114-L157 HydrophobicContact CB-CD1 3.73Å; F114-T160 HydrophobicContact CD2-CG2 3.79Å; F114-T160 WeakPolarHBondContact CD2-OG1 3.45Å; F114-T160 HydrophobicContact CE2-CG2 3.52Å; F114-T160 HydrophobicContact CZ-CG2 4.27Å
115	E	93.3	Very high	95	Very high	49 Å²	49	42.5 Å²	42.5	23%	0.229	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-59.3	-23.5	175.5	-66.2	79.4	-177.9	0	0	112.6	A91 G94 P113 G117 K118 L157	A91-E115 HydrophobicContact CB-CB 4.38Å; A91-E115 HydrophobicContact CB-CG 3.89Å; A91-E115 WeakPolarHBondContact O-CB 3.37Å; G94-E115 WeakPolarHBondContact CA-O 3.14Å; P113-E115 WeakPolarHBondContact CB-OE2 3.27Å; P113-E115 PolarHBondContact O-N 3.3Å; E115-G117 PolarHBondContact O-N 2.84Å; E115-G117 VanDerWaalsContact O-N 3.14Å; E115-K118 VanDerWaalsContact O-CB 3.26Å; E115-K118 WeakPolarHBondContact O-CB 3.22Å; E115-K118 WeakPolarHBondContact O-CG 3.49Å; E115-K118 PolarHBondContact O-N 2.87Å; E115-L157 HydrophobicContact CG-CD1 3.89Å
116	L	94.9	Very high	94.9	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-58.8	-27.1	174.5	-157.4	72.5	0	0	0	111.8	L93 L102 L112 P113 F114 K118 L119 L125 L150 L153	L93-L116 HydrophobicContact CD2-CD1 3.82Å; L93-L116 HydrophobicContact CG-CD1 4.12Å; L102-L116 HydrophobicContact CD2-CD1 3.85Å; L112-L116 HydrophobicContact CD1-CD2 4.44Å; P113-L116 HydrophobicContact CG-CB 4.47Å; P113-L116 VanDerWaalsContact O-CB 3.27Å; P113-L116 WeakPolarHBondContact O-CB 3.38Å; P113-L116 PolarHBondContact O-N 3.37Å; P113-L116 VanDerWaalsContact O-N 3.12Å; F114-L116 PolarHBondContact O-N 3Å; F114-L116 VanDerWaalsContact O-N 3.13Å; L116-K118 PolarHBondContact O-N 2.87Å; L116-K118 VanDerWaalsContact O-N 3.16Å; L116-L119 HydrophobicContact CD1-CD1 3.56Å; L116-L119 HydrophobicContact CD1-CG 4.44Å; L116-L119 HydrophobicContact CG-CD1 4.13Å; L116-L119 WeakPolarHBondContact O-CB 3.48Å; L116-L119 WeakPolarHBondContact O-CG 3.29Å; L116-L119 PolarHBondContact O-N 3.2Å; L116-L125 HydrophobicContact CD2-CD1 4.49Å; L116-L125 HydrophobicContact CD2-CD2 4.32Å; L116-L150 HydrophobicContact CG-CD2 4.34Å; L116-L150 WeakPolarHBondContact O-CD2 3.18Å; L116-L153 HydrophobicContact CB-CD1 4.04Å; L116-L153 HydrophobicContact CD2-CD1 4.43Å
117	G	93.8	Very high	94.9	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-61.2	-18.7	174.2	0	0	0	0	0	114.5	F114 E115 L119 L150 L154	F114-G117 PolarHBondContact O-N 2.85Å; E115-G117 PolarHBondContact O-N 2.84Å; E115-G117 VanDerWaalsContact O-N 3.14Å; G117-L119 PolarHBondContact O-N 3.11Å; G117-L150 WeakPolarHBondContact CA-O 3.12Å; G117-L154 WeakPolarHBondContact O-CD2 3.29Å
118	K	92.3	Very high	94.7	Very high	41 Å²	41	44.2 Å²	44.2	18%	0.178	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-69.8	-13.4	172.9	-64	-177.5	-178.2	-173.6	0	113.2	G94 E115 L116 F120 L154 L157	G94-K118 VanDerWaalsContact O-CB 3.24Å; G94-K118 WeakPolarHBondContact O-CB 3.09Å; E115-K118 VanDerWaalsContact O-CB 3.26Å; E115-K118 WeakPolarHBondContact O-CB 3.22Å; E115-K118 WeakPolarHBondContact O-CG 3.49Å; E115-K118 PolarHBondContact O-N 2.87Å; L116-K118 PolarHBondContact O-N 2.87Å; L116-K118 VanDerWaalsContact O-N 3.16Å; K118-F120 VanDerWaalsContact O-CD1 3.25Å; K118-F120 WeakPolarHBondContact O-CD1 3.09Å; K118-F120 PolarHBondContact O-N 3.13Å; K118-L154 HydrophobicContact CG-CD1 4.24Å; K118-L157 HydrophobicContact CG-CD2 4.33Å
119	L	94.4	Very high	94.6	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.216	C	C	.	.			trans	-78.5	60.5	178.6	-57.8	-175.5	0	0	0	111.8	M96 L99 L102 L116 G117 Q121 L122	M96-L119 HydrophobicContact CB-CD2 4.46Å; M96-L119 VanDerWaalsContact O-CD2 3.23Å; M96-L119 WeakPolarHBondContact O-CD2 3.46Å; L99-L119 HydrophobicContact CD1-CD1 4.15Å; L102-L119 HydrophobicContact CD2-CD1 4.23Å; L116-L119 HydrophobicContact CD1-CD1 3.56Å; L116-L119 HydrophobicContact CD1-CG 4.44Å; L116-L119 HydrophobicContact CG-CD1 4.13Å; L116-L119 WeakPolarHBondContact O-CB 3.48Å; L116-L119 WeakPolarHBondContact O-CG 3.29Å; L116-L119 PolarHBondContact O-N 3.2Å; G117-L119 PolarHBondContact O-N 3.11Å; L119-Q121 PolarHBondContact O-N 3.48Å; L119-L122 HydrophobicContact CB-CB 4.05Å; L119-L122 HydrophobicContact CD1-CD2 4.44Å; L119-L122 WeakPolarHBondContact O-CB 3.32Å; L119-L122 PolarHBondContact O-N 2.91Å
120	F	90.7	Very high	94.6	Very high	51 Å²	51	43.8 Å²	43.8	22%	0.224	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-14.9	-172.9	67.9	-86.5	0	0	0	114.5	V97 K118 G208 Y209 F484	V97-F120 HydrophobicContact CB-CE1 4.07Å; V97-F120 HydrophobicContact CG1-CE1 4.19Å; K118-F120 VanDerWaalsContact O-CD1 3.25Å; K118-F120 WeakPolarHBondContact O-CD1 3.09Å; K118-F120 PolarHBondContact O-N 3.13Å; F120-G208 VanDerWaalsContact CB-O 3.27Å; F120-G208 WeakPolarHBondContact CB-O 3.32Å; F120-Y209 HydrophobicContact CD1-CD1 4.26Å; F120-Y209 HydrophobicContact CD1-CG 4.44Å; F120-Y209 HydrophobicContact CD2-CD1 4.4Å; F120-Y209 AromaticContact CE1-CD1 3.94Å; F120-Y209 HydrophobicContact CE1-CD1 3.94Å; F120-Y209 HydrophobicContact CE1-CG 4.31Å; F120-Y209 HydrophobicContact CE2-CD1 4.04Å; F120-Y209 AromaticContact CZ-CD1 3.84Å; F120-Y209 HydrophobicContact CZ-CD1 3.84Å; F120-F484 HydrophobicContact CE1-CD2 4.19Å; F120-F484 HydrophobicContact CE1-CE2 4.43Å; F120-F484 HydrophobicContact CE1-CG 4.37Å; F120-F484 HydrophobicContact CE2-CD1 4.12Å; F120-F484 HydrophobicContact CE2-CG 4.28Å; F120-F484 HydrophobicContact CZ-CB 4.07Å; F120-F484 AromaticContact CZ-CD1 3.63Å; F120-F484 HydrophobicContact CZ-CD1 3.63Å; F120-F484 AromaticContact CZ-CD2 3.7Å; F120-F484 HydrophobicContact CZ-CD2 3.7Å; F120-F484 AromaticContact CZ-CE1 3.97Å; F120-F484 HydrophobicContact CZ-CE1 3.97Å; F120-F484 HydrophobicContact CZ-CE2 4.01Å; F120-F484 AromaticContact CZ-CG 3.49Å; F120-F484 HydrophobicContact CZ-CG 3.49Å; F120-F484 VanDerWaalsContact CZ-CG 3.49Å; F120-F484 HydrophobicContact CZ-CZ 4.12Å
121	Q	92	Very high	94.7	Very high	44 Å²	44	39 Å²	39	21%	0.206	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-6.8	173.3	-58.1	-164	-39.5	0	0	113.5	V97 L99 L119 Q123	V97-Q121 WeakPolarHBondContact O-CB 3.3Å; V97-Q121 WeakPolarHBondContact O-CG 3.43Å; V97-Q121 PolarHBondContact O-OE1 2.94Å; V97-Q121 VanDerWaalsContact O-OE1 3.14Å; L99-Q121 CarbonylContact O-C 3.21Å; L119-Q121 PolarHBondContact O-N 3.48Å; Q121-Q123 WeakPolarHBondContact O-CG 3.3Å; Q121-Q123 PolarHBondContact O-N 2.83Å
122	L	94.8	Very high	94.8	Very high	4 Å²	4	35.1 Å²	35.1	2%	0.021	19%	0.187	C	C	.	.			trans	-66.9	123.6	-175.9	-164.6	74.7	0	0	0	111	L99 L102 L119 L125 T146 L150	L99-L122 HydrophobicContact CB-CD1 4.06Å; L99-L122 WeakPolarHBondContact O-CA 3.26Å; L99-L122 PolarHBondContact O-N 3.16Å; L102-L122 HydrophobicContact CB-CD1 3.74Å; L102-L122 HydrophobicContact CB-CD2 4.19Å; L119-L122 HydrophobicContact CB-CB 4.05Å; L119-L122 HydrophobicContact CD1-CD2 4.44Å; L119-L122 WeakPolarHBondContact O-CB 3.32Å; L119-L122 PolarHBondContact O-N 2.91Å; L122-L125 HydrophobicContact CD2-CB 3.82Å; L122-L125 HydrophobicContact CD2-CD1 4.13Å; L122-L125 HydrophobicContact CD2-CD2 4.33Å; L122-L125 HydrophobicContact CD2-CG 4.3Å; L122-T146 HydrophobicContact CD2-CG2 4.49Å; L122-L150 HydrophobicContact CB-CD1 3.86Å; L122-L150 HydrophobicContact CD2-CD1 4.1Å; L122-L150 HydrophobicContact CD2-CD2 4.3Å; L122-L150 HydrophobicContact CG-CD1 4.49Å
123	Q	92.6	Very high	94.7	Very high	94 Å²	94	37.8 Å²	37.8	44%	0.439	20%	0.203	S	C	.	.			trans	-99.2	-41.4	-178.7	-55.6	-175.5	-3.9	0	0	110.6	R100 Q121	R100-Q123 HydrophobicContact CB-CG 4.43Å; R100-Q123 PolarHBondContact O-N 2.96Å; Q121-Q123 WeakPolarHBondContact O-CG 3.3Å; Q121-Q123 PolarHBondContact O-N 2.83Å
124	T	93.8	Very high	94.6	Very high	56 Å²	56	42.1 Å²	42.1	34%	0.344	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	124	-177.3	-55.7	0	0	0	0	110.2	R100 E101 L102	R100-T124 PolarHBondContact O-N 2.91Å; E101-T124 WeakPolarHBondContact CA-O 3.38Å; L102-T124 PolarHBondContact N-O 2.83Å
125	L	97.2	Very high	94.6	Very high	1 Å²	1	45.3 Å²	45.3	1%	0.005	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	103.1	175.7	176.1	54.3	0	0	0	109.4	L102 L104 L116 L122 L127 Y140 T146 L149 L150	L102-L125 HydrophobicContact CB-CD1 4.2Å; L102-L125 HydrophobicContact CD2-CD1 3.97Å; L102-L125 HydrophobicContact CG-CD1 4.04Å; L102-L125 CarbonylContact O-C 3.44Å; L102-L125 WeakPolarHBondContact O-CA 3.41Å; L104-L125 HydrophobicContact CD1-CD1 4.08Å; L116-L125 HydrophobicContact CD2-CD1 4.49Å; L116-L125 HydrophobicContact CD2-CD2 4.32Å; L122-L125 HydrophobicContact CD2-CB 3.82Å; L122-L125 HydrophobicContact CD2-CD1 4.13Å; L122-L125 HydrophobicContact CD2-CD2 4.33Å; L122-L125 HydrophobicContact CD2-CG 4.3Å; L125-L127 HydrophobicContact CD1-CD2 4.19Å; L125-L127 HydrophobicContact CD1-CG 4.19Å; L125-L127 HydrophobicContact CD2-CD1 3.88Å; L125-L127 HydrophobicContact CD2-CG 4.36Å; L125-L127 HydrophobicContact CG-CD1 3.93Å; L125-L127 HydrophobicContact CG-CD2 4.41Å; L125-L127 HydrophobicContact CG-CG 3.89Å; L125-L127 PolarHBondContact O-N 2.67Å; L125-Y140 WeakPolarHBondContact O-CE2 3.48Å; L125-Y140 PolarHBondContact O-OH 3.09Å; L125-T146 HydrophobicContact CB-CG2 3.65Å; L125-L149 HydrophobicContact CD2-CD2 4.14Å; L125-L150 HydrophobicContact CD2-CD2 4.48Å
126	G	96.8	Very high	94.6	Very high	4 Å²	4	43.8 Å²	43.8	4%	0.041	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	107.5	-178.7	0	0	0	0	0	112.5	L102 L104 N105	L102-G126 PolarHBondContact O-N 2.93Å; L104-G126 CarbonylContact C-O 3.57Å; L104-G126 WeakPolarHBondContact CA-O 3.25Å; L104-G126 VanDerWaalsContact CB-O 3.23Å; L104-G126 WeakPolarHBondContact CB-O 3.09Å; L104-G126 PolarHBondContact N-O 2.86Å; N105-G126 PolarHBondContact N-O 3.49Å; N105-G126 WeakPolarHBondContact OD1-CA 3.16Å
127	L	97.3	Very high	94.5	Very high	1 Å²	1	45.5 Å²	45.5	1%	0.005	24%	0.244	C	C	.	.			trans	-116	0.8	-179.1	-67.7	170.9	0	0	0	114.9	L104 N105 L112 L125 N130 L132 Y140 L149	L104-L127 HydrophobicContact CB-CD2 4.26Å; L104-L127 HydrophobicContact CD1-CD2 3.91Å; N105-L127 PolarHBondContact OD1-N 2.89Å; L112-L127 HydrophobicContact CD1-CD1 3.85Å; L112-L127 HydrophobicContact CD1-CD2 4.3Å; L112-L127 HydrophobicContact CD2-CD2 3.95Å; L125-L127 HydrophobicContact CD1-CD2 4.19Å; L125-L127 HydrophobicContact CD1-CG 4.19Å; L125-L127 HydrophobicContact CD2-CD1 3.88Å; L125-L127 HydrophobicContact CD2-CG 4.36Å; L125-L127 HydrophobicContact CG-CD1 3.93Å; L125-L127 HydrophobicContact CG-CD2 4.41Å; L125-L127 HydrophobicContact CG-CG 3.89Å; L125-L127 PolarHBondContact O-N 2.67Å; L127-N130 PolarHBondContact O-N 2.73Å; L127-N130 PolarHBondContact O-ND2 2.95Å; L127-L132 HydrophobicContact CB-CD1 4.04Å; L127-L132 HydrophobicContact CD1-CD1 4.16Å; L127-L132 HydrophobicContact CD2-CD1 4.23Å; L127-L132 HydrophobicContact CG-CD1 4.37Å; L127-Y140 HydrophobicContact CB-CD1 4.42Å; L127-Y140 HydrophobicContact CB-CE1 4.22Å; L127-Y140 HydrophobicContact CD1-CD2 4.1Å; L127-Y140 HydrophobicContact CD1-CE2 4.38Å; L127-Y140 HydrophobicContact CD1-CG 4.27Å; L127-L149 HydrophobicContact CD1-CD2 3.59Å
128	K	95.4	Very high	94.6	Very high	162 Å²	162	49.1 Å²	49.1	70%	0.704	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	142.6	-173.3	-172.3	179.6	179.5	-179.3	0	111.1	N105 N106 N130	N105-K128 CarbonylContact C-O 3.53Å; N105-K128 WeakPolarHBondContact CA-O 3.39Å; N105-K128 WeakPolarHBondContact OD1-CB 3.34Å; N105-K128 PolarHBondContact OD1-N 2.79Å; N106-K128 PolarHBondContact N-O 2.76Å; K128-N130 VanDerWaalsContact C-N 3.33Å
129	G	95.8	Very high	94.6	Very high	49 Å²	49	49.4 Å²	49.4	51%	0.505	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.8	15.5	176.1	0	0	0	0	0	114.7
130	N	97.9	Very high	94.7	Very high	14 Å²	14	52.4 Å²	52.4	8%	0.075	28%	0.278	C	S	.	.	S	Bend	trans	-100.5	145.4	169.8	-74.2	-81.4	0	0	0	111.4	L104 N107 L108 L109 L127 K128 L132	L104-N130 PolarHBondContact O-ND2 3.42Å; N107-N130 VanDerWaalsContact CA-OD1 3.24Å; N107-N130 WeakPolarHBondContact CA-OD1 3.41Å; N107-N130 WeakPolarHBondContact CB-OD1 3.45Å; N107-N130 PolarHBondContact N-OD1 3.35Å; N107-N130 PolarHBondContact O-OD1 3.25Å; L108-N130 PolarHBondContact N-OD1 3.3Å; L109-N130 HydrophobicContact CB-CB 4.1Å; L109-N130 VanDerWaalsContact CB-OD1 3.3Å; L109-N130 WeakPolarHBondContact CB-OD1 3.3Å; L109-N130 WeakPolarHBondContact CG-OD1 3.26Å; L109-N130 PolarHBondContact N-OD1 3.27Å; L127-N130 PolarHBondContact O-N 2.73Å; L127-N130 PolarHBondContact O-ND2 2.95Å; K128-N130 VanDerWaalsContact C-N 3.33Å; N130-L132 HydrophobicContact CB-CD1 4.24Å; N130-L132 HydrophobicContact CB-CG 3.95Å; N130-L132 PolarHBondContact O-N 2.85Å
131	P	97	Very high	94.8	Very high	67 Å²	67	56.7 Å²	56.7	44%	0.435	30%	0.299	S	S	.	.			trans	-78.1	50.7	175.3	35.2	-38	0	0	0	112.8	L109 R110	L109-P131 CarbonylContact O-C 3.42Å; L109-P131 VanDerWaalsContact O-C 3.25Å; L109-P131 WeakPolarHBondContact O-CD 3.32Å; L109-P131 WeakPolarHBondContact O-CG 3.36Å; R110-P131 WeakPolarHBondContact CA-O 2.84Å; R110-P131 HydrophobicContact CG-CG 3.97Å
132	L	96.4	Very high	94.8	Very high	14 Å²	14	58.5 Å²	58.5	7%	0.073	31%	0.307	C	S	.	.			trans	-71.3	157.6	177	-67.2	169.7	0	0	0	111.3	L109 L112 L127 N130 I136 L137	L109-L132 HydrophobicContact CB-CD2 4.14Å; L109-L132 PolarHBondContact O-N 2.9Å; L112-L132 HydrophobicContact CD2-CD2 4.23Å; L112-L132 HydrophobicContact CG-CD2 4.05Å; L127-L132 HydrophobicContact CB-CD1 4.04Å; L127-L132 HydrophobicContact CD1-CD1 4.16Å; L127-L132 HydrophobicContact CD2-CD1 4.23Å; L127-L132 HydrophobicContact CG-CD1 4.37Å; N130-L132 HydrophobicContact CB-CD1 4.24Å; N130-L132 HydrophobicContact CB-CG 3.95Å; N130-L132 PolarHBondContact O-N 2.85Å; L132-I136 HydrophobicContact CD1-CG2 4.16Å; L132-L137 HydrophobicContact CB-CD2 4.03Å; L132-L137 HydrophobicContact CB-CG 4.04Å; L132-L137 HydrophobicContact CD1-CD2 4.24Å
133	T	94.4	Very high	94.6	Very high	69 Å²	69	63.4 Å²	63.4	42%	0.423	34%	0.339	S	S	.	.			trans	-64.1	150.9	174.6	56.3	0	0	0	0	111.7	D135 I136 L137	T133-D135 PolarHBondContact O-N 2.9Å; T133-I136 PolarHBondContact O-N 3.44Å; T133-I136 WeakPolarHBondContact OG1-CG1 3.45Å; T133-L137 WeakPolarHBondContact O-CG 3.4Å; T133-L137 PolarHBondContact O-N 3.46Å; T133-L137 VanDerWaalsContact O-N 3.12Å
134	Q	92.6	Very high	94.5	Very high	113 Å²	113	62.9 Å²	62.9	53%	0.528	34%	0.339	S	S	.	.	H	α-helix	trans	-60.1	-34.8	-176.8	-167.4	61.2	44.9	0	0	112.4	I136 L137 N138	Q134-I136 PolarHBondContact O-N 3.1Å; Q134-L137 PolarHBondContact O-N 2.99Å; Q134-N138 PolarHBondContact NE2-OD1 3.2Å; Q134-N138 WeakPolarHBondContact O-CB 3.33Å; Q134-N138 PolarHBondContact O-N 3.08Å; Q134-N138 PolarHBondContact O-ND2 3.22Å; Q134-N138 PolarHBondContact O-OD1 3.07Å
135	D	92.4	Very high	94.4	Very high	118 Å²	118	60.4 Å²	60.4	63%	0.631	33%	0.325	S	S	*	.	H	α-helix	trans	-62.3	-44.1	179.2	-56.8	-35.3	0	0	0	112.3	T133 N138 L139	T133-D135 PolarHBondContact O-N 2.9Å; D135-N138 PolarHBondContact O-N 2.92Å; D135-L139 WeakPolarHBondContact O-CG 3.47Å; D135-L139 PolarHBondContact O-N 2.82Å; D135-L139 VanDerWaalsContact O-N 3.12Å
136	I	94.4	Very high	94.3	Very high	18 Å²	18	61.3 Å²	61.3	9%	0.092	33%	0.331	C	S	.	.	H	α-helix	trans	-66.6	-41.5	176.8	-64.8	-66.9	0	0	0	110.5	L112 L132 T133 Q134 L139 Y140 L149 Y152	L112-I136 HydrophobicContact CD1-CG2 4.08Å; L132-I136 HydrophobicContact CD1-CG2 4.16Å; T133-I136 PolarHBondContact O-N 3.44Å; T133-I136 WeakPolarHBondContact OG1-CG1 3.45Å; Q134-I136 PolarHBondContact O-N 3.1Å; I136-L139 PolarHBondContact O-N 3.41Å; I136-Y140 WeakPolarHBondContact O-CB 3.44Å; I136-Y140 PolarHBondContact O-N 3.33Å; I136-L149 HydrophobicContact CD1-CD1 3.75Å; I136-L149 HydrophobicContact CG2-CD1 3.91Å; I136-L149 HydrophobicContact CG2-CD2 4.12Å; I136-Y152 HydrophobicContact CD1-CD1 4.38Å; I136-Y152 HydrophobicContact CD1-CE1 4.06Å
137	L	93.4	Very high	94.1	Very high	36 Å²	36	67.2 Å²	67.2	19%	0.188	35%	0.352	C	S	.	.	H	α-helix	trans	-64.6	-40.6	177.9	-68.6	175.7	0	0	0	111.8	L132 T133 Q134 Y140 Q141	L132-L137 HydrophobicContact CB-CD2 4.03Å; L132-L137 HydrophobicContact CB-CG 4.04Å; L132-L137 HydrophobicContact CD1-CD2 4.24Å; T133-L137 WeakPolarHBondContact O-CG 3.4Å; T133-L137 PolarHBondContact O-N 3.46Å; T133-L137 VanDerWaalsContact O-N 3.12Å; Q134-L137 PolarHBondContact O-N 2.99Å; L137-Y140 PolarHBondContact O-N 3.32Å; L137-Q141 WeakPolarHBondContact O-CB 3.47Å; L137-Q141 WeakPolarHBondContact O-CG 3.17Å; L137-Q141 PolarHBondContact O-N 3.43Å
138	N	94.3	Very high	93.9	Very high	76 Å²	76	72.6 Å²	72.6	41%	0.406	37%	0.372	S	S	.	.	H	α-helix	trans	-61	-49.7	176.6	-70.2	-12.8	0	0	0	110.6	Q134 D135 Y140 Q141 E142	Q134-N138 PolarHBondContact NE2-OD1 3.2Å; Q134-N138 WeakPolarHBondContact O-CB 3.33Å; Q134-N138 PolarHBondContact O-N 3.08Å; Q134-N138 PolarHBondContact O-ND2 3.22Å; Q134-N138 PolarHBondContact O-OD1 3.07Å; D135-N138 PolarHBondContact O-N 2.92Å; N138-Y140 VanDerWaalsContact C-N 3.29Å; N138-Y140 PolarHBondContact O-N 2.91Å; N138-Q141 PolarHBondContact O-N 2.98Å; N138-E142 PolarHBondContact O-N 2.92Å
139	L	93.9	Very high	93.9	Very high	46 Å²	46	64.9 Å²	64.9	24%	0.241	34%	0.339	C	S	.	.	H	α-helix	trans	-58.2	-40.8	176	-72.3	171.6	0	0	0	112.3	D135 I136 G145 Y152	D135-L139 WeakPolarHBondContact O-CG 3.47Å; D135-L139 PolarHBondContact O-N 2.82Å; D135-L139 VanDerWaalsContact O-N 3.12Å; I136-L139 PolarHBondContact O-N 3.41Å; L139-G145 WeakPolarHBondContact O-CA 3.38Å; L139-Y152 HydrophobicContact CD1-CD1 3.91Å; L139-Y152 HydrophobicContact CD1-CD2 4.01Å; L139-Y152 HydrophobicContact CD1-CE1 4.36Å; L139-Y152 HydrophobicContact CD1-CE2 4.45Å; L139-Y152 HydrophobicContact CD1-CG 3.73Å
140	Y	94.8	Very high	93.8	Very high	64 Å²	64	62.8 Å²	62.8	25%	0.251	32%	0.316	S	S	.	.	H	α-helix	trans	-73	-26.9	-179.3	179.4	-109.6	0	0	0	113.7	L125 L127 I136 L137 N138 G145 L149	L125-Y140 WeakPolarHBondContact O-CE2 3.48Å; L125-Y140 PolarHBondContact O-OH 3.09Å; L127-Y140 HydrophobicContact CB-CD1 4.42Å; L127-Y140 HydrophobicContact CB-CE1 4.22Å; L127-Y140 HydrophobicContact CD1-CD2 4.1Å; L127-Y140 HydrophobicContact CD1-CE2 4.38Å; L127-Y140 HydrophobicContact CD1-CG 4.27Å; I136-Y140 WeakPolarHBondContact O-CB 3.44Å; I136-Y140 PolarHBondContact O-N 3.33Å; L137-Y140 PolarHBondContact O-N 3.32Å; N138-Y140 VanDerWaalsContact C-N 3.29Å; N138-Y140 PolarHBondContact O-N 2.91Å; Y140-G145 WeakPolarHBondContact O-CA 3.42Å; Y140-L149 HydrophobicContact CD2-CD2 4.32Å
141	Q	93.3	Very high	93.6	Very high	140 Å²	140	64.7 Å²	64.7	65%	0.654	33%	0.326	S	S	*	.	H	α-helix	trans	-81.8	-14.2	179.9	-75.5	173.4	8.5	0	0	113.8	L137 N138	L137-Q141 WeakPolarHBondContact O-CB 3.47Å; L137-Q141 WeakPolarHBondContact O-CG 3.17Å; L137-Q141 PolarHBondContact O-N 3.43Å; N138-Q141 PolarHBondContact O-N 2.98Å
142	E	92.6	Very high	93.5	Very high	83 Å²	83	66 Å²	66	39%	0.388	32%	0.323	S	S	.	.	S	Bend	trans	-67.7	161.4	175.3	-71.4	-173.8	140.2	0	0	112.6	N138 D144 G145 R148	N138-E142 PolarHBondContact O-N 2.92Å; E142-D144 PolarHBondContact O-N 3.16Å; E142-G145 WeakPolarHBondContact O-CA 3.32Å; E142-G145 PolarHBondContact O-N 3.32Å; E142-R148 IonicContact OE1-NH1 3.15Å; E142-R148 PolarHBondContact OE1-NH1 2.85Å; E142-R148 WeakPolarHBondContact OE2-CD 3.49Å; E142-R148 IonicContact OE2-CZ 2.79Å; E142-R148 IonicContact OE2-NE 3.44Å; E142-R148 IonicContact OE2-NH1 4Å; E142-R148 PolarHBondContact OE2-NH1 3.22Å
143	P	90.4	Very high	93.4	Very high	107 Å²	107	65.4 Å²	65.4	70%	0.695	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	131.5	169.9	-22.6	33.5	0	0	0	110.9	G145 R148	P143-G145 PolarHBondContact O-N 3.26Å; P143-R148 PolarHBondContact O-NE 3.43Å
144	D	89.5	Confident	93.4	Very high	82 Å²	82	62.2 Å²	62.2	44%	0.439	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.9	30.8	-172.4	-153.1	18.2	0	0	0	113.6	E142 T146 R147 R148	E142-D144 PolarHBondContact O-N 3.16Å; D144-T146 PolarHBondContact O-N 3.28Å; D144-T146 VanDerWaalsContact O-N 3.17Å; D144-R147 VanDerWaalsContact CG-NH1 3.34Å; D144-R147 PolarHBondContact O-N 3.26Å; D144-R147 WeakPolarHBondContact OD1-CD 3.49Å; D144-R147 VanDerWaalsContact OD1-CG 3.27Å; D144-R147 WeakPolarHBondContact OD1-CG 3.35Å; D144-R147 IonicContact OD1-CZ 3.91Å; D144-R147 IonicContact OD1-NE 3.45Å; D144-R147 IonicContact OD1-NH1 3.24Å; D144-R147 PolarHBondContact OD1-NH1 2.96Å; D144-R147 VanDerWaalsContact OD1-NH1 3.15Å; D144-R147 VanDerWaalsContact OD2-CD 3.29Å; D144-R147 WeakPolarHBondContact OD2-CD 3.39Å; D144-R147 IonicContact OD2-CZ 2.92Å; D144-R147 IonicContact OD2-NE 3.9Å; D144-R147 IonicContact OD2-NH1 3.7Å; D144-R147 PolarHBondContact OD2-NH1 3.11Å; D144-R148 PolarHBondContact O-N 3.43Å
145	G	93.1	Very high	93.4	Very high	5 Å²	5	59 Å²	59	5%	0.052	29%	0.286	C	S	.	.	H	α-helix	trans	-55.6	-32.1	-174.8	0	0	0	0	0	114.9	L139 Y140 E142 P143 L149	L139-G145 WeakPolarHBondContact O-CA 3.38Å; Y140-G145 WeakPolarHBondContact O-CA 3.42Å; E142-G145 WeakPolarHBondContact O-CA 3.32Å; E142-G145 PolarHBondContact O-N 3.32Å; P143-G145 PolarHBondContact O-N 3.26Å; G145-L149 WeakPolarHBondContact O-CB 3.08Å; G145-L149 PolarHBondContact O-N 3.09Å
146	T	93.8	Very high	93.4	Very high	19 Å²	19	56.6 Å²	56.6	12%	0.117	27%	0.274	C	S	.	.	H	α-helix	trans	-56.1	-55.9	169.9	-59.6	0	0	0	0	110.9	L122 L125 D144 L149 L150	L122-T146 HydrophobicContact CD2-CG2 4.49Å; L125-T146 HydrophobicContact CB-CG2 3.65Å; D144-T146 PolarHBondContact O-N 3.28Å; D144-T146 VanDerWaalsContact O-N 3.17Å; T146-L149 PolarHBondContact O-N 3.42Å; T146-L150 HydrophobicContact CG2-CD1 3.86Å; T146-L150 WeakPolarHBondContact O-CG 3.37Å; T146-L150 PolarHBondContact O-N 2.97Å
147	R	92.8	Very high	93	Very high	128 Å²	128	56.6 Å²	56.6	48%	0.483	27%	0.274	S	S	.	.	H	α-helix	trans	-66.8	-41	-177.8	-65.9	-164.8	-167.2	117.6	-0.4	112	D144 L149 L150 N151	D144-R147 VanDerWaalsContact CG-NH1 3.34Å; D144-R147 PolarHBondContact O-N 3.26Å; D144-R147 WeakPolarHBondContact OD1-CD 3.49Å; D144-R147 VanDerWaalsContact OD1-CG 3.27Å; D144-R147 WeakPolarHBondContact OD1-CG 3.35Å; D144-R147 IonicContact OD1-CZ 3.91Å; D144-R147 IonicContact OD1-NE 3.45Å; D144-R147 IonicContact OD1-NH1 3.24Å; D144-R147 PolarHBondContact OD1-NH1 2.96Å; D144-R147 VanDerWaalsContact OD1-NH1 3.15Å; D144-R147 VanDerWaalsContact OD2-CD 3.29Å; D144-R147 WeakPolarHBondContact OD2-CD 3.39Å; D144-R147 IonicContact OD2-CZ 2.92Å; D144-R147 IonicContact OD2-NE 3.9Å; D144-R147 IonicContact OD2-NH1 3.7Å; D144-R147 PolarHBondContact OD2-NH1 3.11Å; R147-L149 VanDerWaalsContact C-N 3.35Å; R147-L149 PolarHBondContact O-N 3.36Å; R147-L150 PolarHBondContact O-N 2.87Å; R147-N151 WeakPolarHBondContact O-CB 3.32Å; R147-N151 PolarHBondContact O-N 3.36Å; R147-N151 PolarHBondContact O-ND2 3.17Å; R147-N151 PolarHBondContact O-OD1 3.24Å
148	R	93.1	Very high	91.9	Very high	115 Å²	115	57.7 Å²	57.7	43%	0.434	29%	0.288	S	S	.	.	H	α-helix	trans	-58.8	-47.2	176.9	-70.8	-173	177.3	-142.2	-4.9	111.5	E142 P143 D144 N151 Y152	E142-R148 IonicContact OE1-NH1 3.15Å; E142-R148 PolarHBondContact OE1-NH1 2.85Å; E142-R148 WeakPolarHBondContact OE2-CD 3.49Å; E142-R148 IonicContact OE2-CZ 2.79Å; E142-R148 IonicContact OE2-NE 3.44Å; E142-R148 IonicContact OE2-NH1 4Å; E142-R148 PolarHBondContact OE2-NH1 3.22Å; P143-R148 PolarHBondContact O-NE 3.43Å; D144-R148 PolarHBondContact O-N 3.43Å; R148-N151 PolarHBondContact O-N 3.45Å; R148-Y152 WeakPolarHBondContact O-CB 3.36Å; R148-Y152 PolarHBondContact O-N 2.79Å
149	L	95.5	Very high	90.3	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-63	-46	177.8	177.9	58.2	0	0	0	111.6	L112 L125 L127 I136 Y140 G145 T146 R147 N151 Y152 L153	L112-L149 HydrophobicContact CD1-CD2 3.85Å; L125-L149 HydrophobicContact CD2-CD2 4.14Å; L127-L149 HydrophobicContact CD1-CD2 3.59Å; I136-L149 HydrophobicContact CD1-CD1 3.75Å; I136-L149 HydrophobicContact CG2-CD1 3.91Å; I136-L149 HydrophobicContact CG2-CD2 4.12Å; Y140-L149 HydrophobicContact CD2-CD2 4.32Å; G145-L149 WeakPolarHBondContact O-CB 3.08Å; G145-L149 PolarHBondContact O-N 3.09Å; T146-L149 PolarHBondContact O-N 3.42Å; R147-L149 VanDerWaalsContact C-N 3.35Å; R147-L149 PolarHBondContact O-N 3.36Å; L149-N151 PolarHBondContact O-N 2.68Å; L149-Y152 WeakPolarHBondContact O-CB 3.01Å; L149-Y152 PolarHBondContact O-N 2.89Å; L149-L153 HydrophobicContact CD1-CD1 4.23Å; L149-L153 HydrophobicContact CD1-CG 4.15Å; L149-L153 HydrophobicContact CG-CD1 4.17Å; L149-L153 HydrophobicContact CG-CG 4.49Å; L149-L153 VanDerWaalsContact O-CG 3.29Å; L149-L153 WeakPolarHBondContact O-CG 3.4Å; L149-L153 PolarHBondContact O-N 3.15Å
150	L	95.1	Very high	88.2	Confident	5 Å²	5	59 Å²	59	3%	0.026	32%	0.316	C	S	.	.	H	α-helix	trans	-62	-42.3	178.3	-66.6	168.8	0	0	0	112.1	L116 G117 L122 L125 T146 R147 L153 L154	L116-L150 HydrophobicContact CG-CD2 4.34Å; L116-L150 WeakPolarHBondContact O-CD2 3.18Å; G117-L150 WeakPolarHBondContact CA-O 3.12Å; L122-L150 HydrophobicContact CB-CD1 3.86Å; L122-L150 HydrophobicContact CD2-CD1 4.1Å; L122-L150 HydrophobicContact CD2-CD2 4.3Å; L122-L150 HydrophobicContact CG-CD1 4.49Å; L125-L150 HydrophobicContact CD2-CD2 4.48Å; T146-L150 HydrophobicContact CG2-CD1 3.86Å; T146-L150 WeakPolarHBondContact O-CG 3.37Å; T146-L150 PolarHBondContact O-N 2.97Å; R147-L150 PolarHBondContact O-N 2.87Å; L150-L153 PolarHBondContact O-N 3.07Å; L150-L154 WeakPolarHBondContact O-CB 3.36Å; L150-L154 PolarHBondContact O-N 2.65Å
151	N	93.6	Very high	86	Confident	54 Å²	54	57.2 Å²	57.2	29%	0.289	31%	0.314	S	S	.	.	H	α-helix	trans	-61.1	-46.5	174.8	-68.8	-14.2	0	0	0	111.2	R147 R148 L149 L153 L154 D155 R204	R147-N151 WeakPolarHBondContact O-CB 3.32Å; R147-N151 PolarHBondContact O-N 3.36Å; R147-N151 PolarHBondContact O-ND2 3.17Å; R147-N151 PolarHBondContact O-OD1 3.24Å; R148-N151 PolarHBondContact O-N 3.45Å; L149-N151 PolarHBondContact O-N 2.68Å; N151-L153 VanDerWaalsContact C-N 3.32Å; N151-L153 PolarHBondContact O-N 3.01Å; N151-L154 PolarHBondContact O-N 3.32Å; N151-D155 WeakPolarHBondContact O-CB 3.32Å; N151-D155 PolarHBondContact O-N 2.71Å; N151-R204 PolarHBondContact OD1-NE 3.41Å; N151-R204 PolarHBondContact OD1-NH2 3.37Å
152	Y	94.3	Very high	83.6	Confident	93 Å²	93	60.8 Å²	60.8	37%	0.365	33%	0.328	S	S	.	.	H	α-helix	trans	-57.5	-45.6	175.7	170.9	-94.5	0	0	0	111.5	F114 I136 L139 R148 L149 N156	F114-Y152 HydrophobicContact CE1-CE1 4.29Å; I136-Y152 HydrophobicContact CD1-CD1 4.38Å; I136-Y152 HydrophobicContact CD1-CE1 4.06Å; L139-Y152 HydrophobicContact CD1-CD1 3.91Å; L139-Y152 HydrophobicContact CD1-CD2 4.01Å; L139-Y152 HydrophobicContact CD1-CE1 4.36Å; L139-Y152 HydrophobicContact CD1-CE2 4.45Å; L139-Y152 HydrophobicContact CD1-CG 3.73Å; R148-Y152 WeakPolarHBondContact O-CB 3.36Å; R148-Y152 PolarHBondContact O-N 2.79Å; L149-Y152 WeakPolarHBondContact O-CB 3.01Å; L149-Y152 PolarHBondContact O-N 2.89Å; Y152-N156 WeakPolarHBondContact CD2-ND2 3.16Å; Y152-N156 WeakPolarHBondContact CE2-ND2 3.36Å; Y152-N156 WeakPolarHBondContact O-CB 3.08Å; Y152-N156 PolarHBondContact O-N 3.24Å; Y152-N156 PolarHBondContact O-ND2 2.99Å
153	L	95	Very high	81.2	Confident	2 Å²	2	68.2 Å²	68.2	1%	0.01	35%	0.352	C	S	.	.	H	α-helix	trans	-64.3	-42.8	178.7	-67.9	175.2	0	0	0	111.6	L112 F114 L116 L149 L150 N151 N156 L157	L112-L153 HydrophobicContact CB-CD1 4.32Å; L112-L153 HydrophobicContact CD1-CD1 4.41Å; F114-L153 HydrophobicContact CD1-CB 4.41Å; F114-L153 HydrophobicContact CD1-CD2 3.84Å; F114-L153 WeakPolarHBondContact CD1-O 3.27Å; F114-L153 HydrophobicContact CE1-CD2 4.13Å; F114-L153 HydrophobicContact CG-CD2 4.41Å; L116-L153 HydrophobicContact CB-CD1 4.04Å; L116-L153 HydrophobicContact CD2-CD1 4.43Å; L149-L153 HydrophobicContact CD1-CD1 4.23Å; L149-L153 HydrophobicContact CD1-CG 4.15Å; L149-L153 HydrophobicContact CG-CD1 4.17Å; L149-L153 HydrophobicContact CG-CG 4.49Å; L149-L153 VanDerWaalsContact O-CG 3.29Å; L149-L153 WeakPolarHBondContact O-CG 3.4Å; L149-L153 PolarHBondContact O-N 3.15Å; L150-L153 PolarHBondContact O-N 3.07Å; N151-L153 VanDerWaalsContact C-N 3.32Å; N151-L153 PolarHBondContact O-N 3.01Å; L153-N156 PolarHBondContact O-N 2.82Å; L153-L157 PolarHBondContact O-N 3.31Å; L153-L157 VanDerWaalsContact O-N 3.1Å
154	L	93.4	Very high	79.2	Confident	3 Å²	3	66.7 Å²	66.7	2%	0.016	34%	0.337	C	S	.	.	H	α-helix	trans	-68.2	-41.7	-179.9	-175.4	52.7	0	0	0	112.5	G117 K118 L150 N151 N156 L157 G208 P211	G117-L154 WeakPolarHBondContact O-CD2 3.29Å; K118-L154 HydrophobicContact CG-CD1 4.24Å; L150-L154 WeakPolarHBondContact O-CB 3.36Å; L150-L154 PolarHBondContact O-N 2.65Å; N151-L154 PolarHBondContact O-N 3.32Å; L154-N156 VanDerWaalsContact C-N 3.25Å; L154-N156 PolarHBondContact O-N 2.95Å; L154-L157 HydrophobicContact CD1-CD2 4.17Å; L154-L157 VanDerWaalsContact O-CB 3.29Å; L154-L157 WeakPolarHBondContact O-CB 3.46Å; L154-L157 PolarHBondContact O-N 3.26Å; L154-G208 WeakPolarHBondContact CD2-O 3.28Å; L154-P211 HydrophobicContact CD1-CG 4Å; L154-P211 HydrophobicContact CG-CB 4.42Å; L154-P211 HydrophobicContact CG-CG 3.98Å
155	D	93.1	Very high	77.1	Confident	44 Å²	44	66.8 Å²	66.8	24%	0.235	35%	0.345	C	S	.	.	H	α-helix	trans	-66.4	-30.5	-179.7	-73.6	-14.5	0	0	0	112.1	N151 P211 S212 W213	N151-D155 WeakPolarHBondContact O-CB 3.32Å; N151-D155 PolarHBondContact O-N 2.71Å; D155-P211 WeakPolarHBondContact OD1-CA 3.34Å; D155-S212 WeakPolarHBondContact OD1-CB 3.27Å; D155-S212 PolarHBondContact OD1-N 3.09Å; D155-S212 PolarHBondContact OD1-OG 3.21Å; D155-S212 WeakPolarHBondContact OD2-CB 3.46Å; D155-S212 PolarHBondContact OD2-OG 3.06Å; D155-W213 PolarHBondContact O-NE1 3.25Å; D155-W213 VanDerWaalsContact O-NE1 3.15Å
156	N	91.5	Very high	75.2	Confident	68 Å²	68	71 Å²	71	36%	0.364	37%	0.37	S	S	.	.	H	α-helix	trans	-93.5	-3.7	179	-71	-81.4	0	0	0	114.1	F114 Y152 L153 L154 A158 G159	F114-N156 HydrophobicContact CD1-CB 3.72Å; F114-N156 HydrophobicContact CE1-CB 3.45Å; F114-N156 VanDerWaalsContact CE1-CB 3.45Å; F114-N156 HydrophobicContact CZ-CB 4.41Å; Y152-N156 WeakPolarHBondContact CD2-ND2 3.16Å; Y152-N156 WeakPolarHBondContact CE2-ND2 3.36Å; Y152-N156 WeakPolarHBondContact O-CB 3.08Å; Y152-N156 PolarHBondContact O-N 3.24Å; Y152-N156 PolarHBondContact O-ND2 2.99Å; L153-N156 PolarHBondContact O-N 2.82Å; L154-N156 VanDerWaalsContact C-N 3.25Å; L154-N156 PolarHBondContact O-N 2.95Å; N156-A158 VanDerWaalsContact C-N 3.28Å; N156-A158 PolarHBondContact O-N 3.47Å; N156-G159 PolarHBondContact O-N 3.16Å; N156-G159 VanDerWaalsContact O-N 3.09Å
157	L	87.6	Confident	73.9	Confident	19 Å²	19	76.3 Å²	76.3	10%	0.099	39%	0.393	C	S	.	.	H	α-helix	trans	-55	-43.2	-178.1	-179.8	61.6	0	0	0	112.2	F114 E115 K118 L153 L154 G159 T160 A161	F114-L157 HydrophobicContact CB-CB 4.33Å; F114-L157 HydrophobicContact CB-CD1 3.73Å; E115-L157 HydrophobicContact CG-CD1 3.89Å; K118-L157 HydrophobicContact CG-CD2 4.33Å; L153-L157 PolarHBondContact O-N 3.31Å; L153-L157 VanDerWaalsContact O-N 3.1Å; L154-L157 HydrophobicContact CD1-CD2 4.17Å; L154-L157 VanDerWaalsContact O-CB 3.29Å; L154-L157 WeakPolarHBondContact O-CB 3.46Å; L154-L157 PolarHBondContact O-N 3.26Å; L157-G159 VanDerWaalsContact C-N 3.34Å; L157-G159 PolarHBondContact O-N 2.97Å; L157-T160 PolarHBondContact O-N 3.31Å; L157-T160 PolarHBondContact O-OG1 2.88Å; L157-T160 VanDerWaalsContact O-OG1 3.11Å; L157-A161 VanDerWaalsContact O-CB 3.29Å; L157-A161 WeakPolarHBondContact O-CB 3.4Å; L157-A161 PolarHBondContact O-N 3.33Å
158	A	70.1	Confident	73.2	Confident	58 Å²	58	77 Å²	77	48%	0.479	40%	0.402	S	S	.	.	H	α-helix	trans	-66.1	-31.8	-179.5	0	0	0	0	0	113.5	N156 T160 A161 W213	N156-A158 VanDerWaalsContact C-N 3.28Å; N156-A158 PolarHBondContact O-N 3.47Å; A158-T160 VanDerWaalsContact C-N 3.32Å; A158-T160 PolarHBondContact O-N 3.47Å; A158-A161 PolarHBondContact O-N 3.26Å; A158-W213 HydrophobicContact CB-CH2 4.45Å; A158-W213 HydrophobicContact CB-CZ2 3.77Å
159	G	59.1	Low	72.8	Confident	76 Å²	76	73.2 Å²	73.2	78%	0.784	39%	0.392	S	S	*	.	H	α-helix	trans	-69.5	-27.9	-179.5	0	0	0	0	0	113.7	N156 L157	N156-G159 PolarHBondContact O-N 3.16Å; N156-G159 VanDerWaalsContact O-N 3.09Å; L157-G159 VanDerWaalsContact C-N 3.34Å; L157-G159 PolarHBondContact O-N 2.97Å
160	T	50.6	Low	72.5	Confident	75 Å²	75	75.2 Å²	75.2	46%	0.46	41%	0.405	S	S	.	.	H	α-helix	trans	-92.7	-13.4	174.4	39.4	0	0	0	0	114	F114 L157 A158 K162	F114-T160 HydrophobicContact CD2-CG2 3.79Å; F114-T160 WeakPolarHBondContact CD2-OG1 3.45Å; F114-T160 HydrophobicContact CE2-CG2 3.52Å; F114-T160 HydrophobicContact CZ-CG2 4.27Å; L157-T160 PolarHBondContact O-N 3.31Å; L157-T160 PolarHBondContact O-OG1 2.88Å; L157-T160 VanDerWaalsContact O-OG1 3.11Å; A158-T160 VanDerWaalsContact C-N 3.32Å; A158-T160 PolarHBondContact O-N 3.47Å; T160-K162 VanDerWaalsContact C-N 3.3Å; T160-K162 PolarHBondContact O-N 2.89Å; T160-K162 VanDerWaalsContact O-N 3.08Å
161	A	47.7	Very low	72.3	Confident	26 Å²	26	80.8 Å²	80.8	22%	0.215	44%	0.441	C	S	.	.			trans	-85.8	46.3	-172.4	0	0	0	0	0	114.5	L157 A158 R163 I164	L157-A161 VanDerWaalsContact O-CB 3.29Å; L157-A161 WeakPolarHBondContact O-CB 3.4Å; L157-A161 PolarHBondContact O-N 3.33Å; A158-A161 PolarHBondContact O-N 3.26Å; A161-R163 PolarHBondContact O-N 2.8Å; A161-I164 HydrophobicContact CB-CD1 4.24Å; A161-I164 HydrophobicContact CB-CG1 4.3Å; A161-I164 PolarHBondContact O-N 2.84Å
162	K	42.9	Very low	72.4	Confident	214 Å²	214	80 Å²	80	93%	0.93	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	7.4	155.5	-92.4	-172.5	177.7	-179.2	0	113.1	T160	T160-K162 VanDerWaalsContact C-N 3.3Å; T160-K162 PolarHBondContact O-N 2.89Å; T160-K162 VanDerWaalsContact O-N 3.08Å
163	R	43.4	Very low	72.4	Confident	240 Å²	240	79.7 Å²	79.7	91%	0.906	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.7	-10	-178.5	-72.4	-174.4	177.2	-176.7	-0.5	114.6	A161	A161-R163 PolarHBondContact O-N 2.8Å
164	I	47.3	Very low	72.5	Confident	75 Å²	75	84.4 Å²	84.4	39%	0.385	46%	0.463	S	S	.	.	S	Bend	trans	-95.3	113.9	168.1	-56.6	174.8	0	0	0	105.2	A161 T166	A161-I164 HydrophobicContact CB-CD1 4.24Å; A161-I164 HydrophobicContact CB-CG1 4.3Å; A161-I164 PolarHBondContact O-N 2.84Å; I164-T166 HydrophobicContact CB-CG2 4.47Å; I164-T166 HydrophobicContact CG2-CG2 4.03Å; I164-T166 PolarHBondContact O-N 2.81Å
165	S	45.2	Very low	72.6	Confident	84 Å²	84	86.6 Å²	86.6	59%	0.587	47%	0.474	S	S	*	.			trans	-59	86	160.6	178.1	0	0	0	0	107.1	E167	S165-E167 PolarHBondContact O-N 3.44Å
166	T	54	Low	72.7	Confident	94 Å²	94	89.2 Å²	89.2	58%	0.577	49%	0.486	S	S	*	.			trans	-74.3	73.8	168.7	53	0	0	0	0	106.4	I164 Q168	I164-T166 HydrophobicContact CB-CG2 4.47Å; I164-T166 HydrophobicContact CG2-CG2 4.03Å; I164-T166 PolarHBondContact O-N 2.81Å; T166-Q168 PolarHBondContact O-N 2.66Å
167	E	66.2	Low	72.9	Confident	129 Å²	129	89.3 Å²	89.3	60%	0.603	49%	0.487	S	S	*	.	P	Polyproline II helix	trans	-55.1	124.9	160	-77.6	179.1	-175.3	0	0	105.9	S165 W513	S165-E167 PolarHBondContact O-N 3.44Å; E167-W513 WeakPolarHBondContact O-CZ2 3.36Å
168	Q	78.5	Confident	73.2	Confident	144 Å²	144	91.7 Å²	91.7	67%	0.673	50%	0.497	S	S	*	.	P	Polyproline II helix	trans	-48	146	171.1	-72.5	-74.2	-24.5	0	0	108.9	T166	T166-Q168 PolarHBondContact O-N 2.66Å
169	P	85.1	Confident	74.2	Confident	35 Å²	35	95.1 Å²	95.1	23%	0.227	50%	0.503	C	S	.	.	P	Polyproline II helix	trans	-53.5	134.8	176.1	23.2	-32.2	0	0	0	109.1	L509 W513	P169-L509 HydrophobicContact CB-CD1 3.95Å; P169-W513 HydrophobicContact CB-CE3 4.46Å; P169-W513 HydrophobicContact CB-CH2 3.81Å; P169-W513 HydrophobicContact CB-CZ2 3.97Å; P169-W513 HydrophobicContact CB-CZ3 4.06Å
170	P	89.8	Confident	75.6	Confident	42 Å²	42	93.3 Å²	93.3	27%	0.273	48%	0.478	S	S	.	.	P	Polyproline II helix	trans	-59.1	143.6	177.5	24.7	-33.4	0	0	0	109.3	R172 L509 D510 W513	P170-R172 PolarHBondContact O-N 3.07Å; P170-L509 HydrophobicContact CG-CD1 4.44Å; P170-D510 HydrophobicContact CG-CB 3.89Å; P170-W513 VanDerWaalsContact CD-CD1 3.5Å; P170-W513 VanDerWaalsContact CD-CG 3.47Å; P170-W513 HydrophobicContact CG-CB 4.12Å; P170-W513 HydrophobicContact CG-CG 4.09Å
171	P	90.8	Very high	77.2	Confident	121 Å²	121	91.9 Å²	91.9	79%	0.786	47%	0.467	S	S	*	.	P	Polyproline II helix	trans	-59.9	138.4	176.2	26.5	-33.7	0	0	0	109.6
172	R	94.6	Very high	78.9	Confident	38 Å²	38	100.1 Å²	100.1	14%	0.143	49%	0.493	C	S	.	.	P	Polyproline II helix	trans	-67.4	137.1	178.8	-69.1	171.2	60.9	-170	-0.3	110.4	P170 E227 L506 G507 L509 S533	P170-R172 PolarHBondContact O-N 3.07Å; R172-E227 IonicContact NH1-OE1 3.74Å; R172-L506 HydrophobicContact CB-CD1 3.69Å; R172-L506 HydrophobicContact CB-CD2 4.31Å; R172-L506 HydrophobicContact CB-CG 3.89Å; R172-L506 PolarHBondContact NH2-O 2.94Å; R172-G507 PolarHBondContact NE-O 3.18Å; R172-G507 PolarHBondContact NH2-O 3.38Å; R172-L509 HydrophobicContact CG-CB 4.41Å; R172-L509 HydrophobicContact CG-CD1 4.46Å; R172-S533 VanDerWaalsContact CZ-O 3.3Å; R172-S533 PolarHBondContact NH1-O 3.48Å; R172-S533 PolarHBondContact NH1-OG 3.04Å; R172-S533 PolarHBondContact NH2-O 3.16Å
173	S	94.2	Very high	80.7	Confident	86 Å²	86	94.9 Å²	94.9	60%	0.601	48%	0.479	S	S	*	.	P	Polyproline II helix	trans	-76.6	136.3	-177	-60.8	0	0	0	0	112.2	G507	S173-G507 WeakPolarHBondContact O-CA 3.43Å; S173-G507 PolarHBondContact O-N 2.73Å
174	W	96.6	Very high	82.4	Confident	101 Å²	101	86.2 Å²	86.2	38%	0.383	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	132.7	169.1	-178.5	-107.3	0	0	0	110.8	G504 F535 Q537	W174-G504 WeakPolarHBondContact CH2-O 3.44Å; W174-G504 VanDerWaalsContact CZ2-C 3.42Å; W174-G504 VanDerWaalsContact CZ2-CA 3.43Å; W174-F535 HydrophobicContact CE3-CD1 4.44Å; W174-F535 HydrophobicContact CE3-CE1 4.37Å; W174-F535 HydrophobicContact CH2-CD1 4.37Å; W174-F535 HydrophobicContact CH2-CE1 4.01Å; W174-F535 AromaticContact CZ3-CD1 3.6Å; W174-F535 HydrophobicContact CZ3-CD1 3.6Å; W174-F535 AromaticContact CZ3-CE1 3.5Å; W174-F535 HydrophobicContact CZ3-CE1 3.5Å; W174-Q537 HydrophobicContact CH2-CB 3.57Å; W174-Q537 HydrophobicContact CZ2-CB 3.87Å
175	I	96.2	Very high	84	Confident	49 Å²	49	84.1 Å²	84.1	25%	0.251	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	112.3	177.4	-54.1	174.6	0	0	0	108.2	L177 L476 G504 I505	I175-L177 HydrophobicContact CG2-CD2 4.05Å; I175-L476 HydrophobicContact CD1-CD2 4.32Å; I175-L476 HydrophobicContact CG2-CD2 4.5Å; I175-G504 CarbonylContact O-C 3.52Å; I175-G504 WeakPolarHBondContact O-CA 2.96Å; I175-I505 HydrophobicContact CB-CG1 4.01Å; I175-I505 HydrophobicContact CD1-CD1 4.39Å; I175-I505 PolarHBondContact N-O 3.36Å; I175-I505 PolarHBondContact O-N 3.12Å
176	M	96	Very high	86	Confident	99 Å²	99	80.4 Å²	80.4	49%	0.488	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	127.8	172.3	-169.3	65.5	79.7	0	0	109.7
177	L	94.5	Very high	87.8	Confident	71 Å²	71	75.9 Å²	75.9	37%	0.372	38%	0.384	S	S	.	.			trans	-105.5	-37.7	-179.2	-62.6	177.8	0	0	0	112.1	I175 L476 I502 L503 I505	I175-L177 HydrophobicContact CG2-CD2 4.05Å; L177-L476 HydrophobicContact CD2-CD1 4.08Å; L177-I502 HydrophobicContact CD1-CG1 3.82Å; L177-I502 HydrophobicContact CD1-CG2 4.09Å; L177-L503 PolarHBondContact N-O 2.83Å; L177-I505 HydrophobicContact CD1-CG1 4.35Å; L177-I505 HydrophobicContact CD1-CG2 4.2Å
178	Q	93.7	Very high	89.1	Confident	68 Å²	68	71.2 Å²	71.2	32%	0.318	36%	0.363	S	S	.	.			trans	-159.2	156.8	175.3	57.2	175.2	53.7	0	0	110.9	N501 I502 L503	Q178-N501 VanDerWaalsContact NE2-CB 3.34Å; Q178-I502 WeakPolarHBondContact CG-O 3.33Å; Q178-L503 HydrophobicContact CG-CD2 4.12Å; Q178-L503 PolarHBondContact N-O 3.04Å; Q178-L503 VanDerWaalsContact N-O 3.11Å
179	E	91.9	Very high	90	Very high	131 Å²	131	64.4 Å²	64.4	61%	0.612	33%	0.331	S	S	*	.			trans	-76.9	152.8	172.6	-69	-65.6	150.1	0	0	111.7
180	P	88.3	Confident	90.6	Very high	38 Å²	38	63.4 Å²	63.4	25%	0.247	32%	0.324	C	S	.	.			trans	-59.7	142.7	172.8	-19.4	29.4	0	0	0	112.9	R182 L503 E539	P180-R182 PolarHBondContact O-N 2.84Å; P180-L503 HydrophobicContact CB-CD1 4.34Å; P180-L503 HydrophobicContact CB-CD2 4.48Å; P180-L503 HydrophobicContact CG-CD1 3.88Å; P180-L503 HydrophobicContact CG-CD2 4.41Å; P180-E539 VanDerWaalsContact CA-OE1 3.28Å; P180-E539 WeakPolarHBondContact CA-OE1 3.49Å; P180-E539 WeakPolarHBondContact CB-OE1 3.47Å
181	D	84.7	Confident	91.1	Very high	45 Å²	45	61.4 Å²	61.4	24%	0.241	31%	0.311	C	S	.	.			trans	-74.2	110.1	172.4	-175.9	-3.4	0	0	0	110.3	T183 E539 L541	D181-T183 VanDerWaalsContact OD1-CB 3.28Å; D181-T183 WeakPolarHBondContact OD1-CB 3.48Å; D181-T183 WeakPolarHBondContact OD1-CG2 3.22Å; D181-T183 PolarHBondContact OD1-N 3.4Å; D181-T183 PolarHBondContact OD1-OG1 2.91Å; D181-T183 PolarHBondContact OD2-OG1 3.25Å; D181-E539 PolarHBondContact N-OE1 3.38Å; D181-L541 HydrophobicContact CB-CD2 4.25Å
182	R	83.6	Confident	91.5	Very high	198 Å²	198	55.6 Å²	55.6	75%	0.747	27%	0.274	S	S	*	.			trans	-90	-1.6	178.7	-59.5	-173.3	-178.3	-176	1.5	113.8	P180 S342	P180-R182 PolarHBondContact O-N 2.84Å; R182-S342 WeakPolarHBondContact O-CB 3.19Å
183	T	81.2	Confident	91.7	Very high	104 Å²	104	53.9 Å²	53.9	64%	0.638	27%	0.268	S	S	*	.	S	Bend	trans	-82.6	-17.6	-175	70	0	0	0	0	113.3	D181	D181-T183 VanDerWaalsContact OD1-CB 3.28Å; D181-T183 WeakPolarHBondContact OD1-CB 3.48Å; D181-T183 WeakPolarHBondContact OD1-CG2 3.22Å; D181-T183 PolarHBondContact OD1-N 3.4Å; D181-T183 PolarHBondContact OD1-OG1 2.91Å; D181-T183 PolarHBondContact OD2-OG1 3.25Å
184	R	78	Confident	91.9	Very high	58 Å²	58	50 Å²	50	22%	0.219	24%	0.24	C	C	.	.	S	Bend	trans	-139	162.6	-178.8	67.4	-169.4	-58.6	171.5	6.1	111.3	T186 L541 L542 F544	R184-T186 HydrophobicContact CG-CG2 4.06Å; R184-T186 PolarHBondContact O-N 3.36Å; R184-L541 HydrophobicContact CG-CD2 4.47Å; R184-L542 VanDerWaalsContact CZ-O 3.27Å; R184-L542 PolarHBondContact NE-O 3.44Å; R184-L542 VanDerWaalsContact NE-O 3.08Å; R184-L542 PolarHBondContact NH2-O 3.08Å; R184-F544 HydrophobicContact CB-CE1 4.26Å; R184-F544 HydrophobicContact CB-CE2 3.74Å; R184-F544 HydrophobicContact CB-CZ 3.58Å
185	P	81.4	Confident	92	Very high	32 Å²	32	45.3 Å²	45.3	21%	0.208	22%	0.222	C	C	.	.			trans	-62.9	130.3	172.2	-20.2	32.8	0	0	0	110.6	I339 L542	P185-I339 HydrophobicContact CB-CG2 4.11Å; P185-L542 HydrophobicContact CB-CB 4.42Å; P185-L542 HydrophobicContact CB-CD1 4.19Å; P185-L542 WeakPolarHBondContact O-CB 3.3Å; P185-L542 PolarHBondContact O-N 3.14Å; P185-L542 VanDerWaalsContact O-N 3.15Å
186	T	87.8	Confident	92.1	Very high	5 Å²	5	43 Å²	43	3%	0.031	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	163.6	178.5	64.2	0	0	0	0	110.9	R184 E340 E539 L540 L541	R184-T186 HydrophobicContact CG-CG2 4.06Å; R184-T186 PolarHBondContact O-N 3.36Å; T186-E340 PolarHBondContact O-N 2.87Å; T186-E539 HydrophobicContact CG2-CG 3.95Å; T186-L540 VanDerWaalsContact CA-O 3.24Å; T186-L540 WeakPolarHBondContact CA-O 3.17Å; T186-L540 WeakPolarHBondContact CB-O 3.4Å; T186-L541 HydrophobicContact CG2-CD2 3.66Å
187	A	91.1	Very high	92.2	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	128.6	171	0	0	0	0	0	109.7	L334 L540	A187-L334 HydrophobicContact CB-CD1 4.42Å; A187-L334 HydrophobicContact CB-CD2 3.39Å; A187-L540 HydrophobicContact CB-CB 4.38Å; A187-L540 PolarHBondContact N-O 3.21Å; A187-L540 PolarHBondContact O-N 2.84Å
188	L	94.1	Very high	92.3	Very high	31 Å²	31	35 Å²	35	16%	0.162	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	131.8	-178.2	-56.1	-175.7	0	0	0	110.5	L503 E539	L188-L503 HydrophobicContact CD1-CD1 4.5Å; L188-L503 HydrophobicContact CD2-CD1 3.61Å; L188-E539 HydrophobicContact CD2-CB 3.67Å; L188-E539 HydrophobicContact CD2-CG 3.86Å
189	F	96.9	Very high	92.4	Very high	1 Å²	1	35 Å²	35	0%	0.004	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	154.5	171.7	65.7	-83.9	0	0	0	111.6	V191 D234 I235 F292 V355 V408 L500 L538 L540	F189-V191 HydrophobicContact CD2-CG2 3.81Å; F189-V191 HydrophobicContact CE2-CG2 3.61Å; F189-D234 VanDerWaalsContact CA-OD2 3.26Å; F189-D234 WeakPolarHBondContact CA-OD2 3.36Å; F189-D234 HydrophobicContact CB-CB 4.16Å; F189-I235 HydrophobicContact CD2-CD1 3.84Å; F189-I235 HydrophobicContact CD2-CG1 4.41Å; F189-I235 HydrophobicContact CE2-CD1 3.91Å; F189-F292 HydrophobicContact CB-CE2 4.4Å; F189-F292 HydrophobicContact CB-CZ 3.87Å; F189-F292 HydrophobicContact CD1-CZ 4.44Å; F189-F292 HydrophobicContact CD2-CZ 4.14Å; F189-F292 AromaticContact CG-CZ 3.91Å; F189-F292 HydrophobicContact CG-CZ 3.91Å; F189-V355 HydrophobicContact CZ-CG1 4.45Å; F189-V408 HydrophobicContact CE2-CG2 4.28Å; F189-V408 HydrophobicContact CZ-CG2 4.25Å; F189-L500 HydrophobicContact CE1-CD2 3.93Å; F189-L500 HydrophobicContact CZ-CD2 3.86Å; F189-L538 HydrophobicContact CE1-CB 4.35Å; F189-L538 HydrophobicContact CE2-CB 4.27Å; F189-L538 HydrophobicContact CE2-CD1 3.93Å; F189-L538 HydrophobicContact CZ-CB 4.09Å; F189-L538 HydrophobicContact CZ-CD1 4.06Å; F189-L538 PolarHBondContact N-O 3.07Å; F189-L538 PolarHBondContact O-N 3.15Å; F189-L540 HydrophobicContact CE1-CB 4.15Å
190	S	98.3	Very high	92.5	Very high	13 Å²	13	33.8 Å²	33.8	9%	0.091	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	148.4	179.1	50	0	0	0	0	112.1	A233 D234 I235 A536	S190-A233 WeakPolarHBondContact OG-CA 3.36Å; S190-D234 PolarHBondContact N-OD2 3.22Å; S190-D234 PolarHBondContact O-N 3.22Å; S190-D234 VanDerWaalsContact O-N 3.13Å; S190-D234 PolarHBondContact OG-N 2.94Å; S190-D234 PolarHBondContact OG-OD2 2.83Å; S190-D234 VanDerWaalsContact OG-OD2 3.08Å; S190-I235 PolarHBondContact O-N 3.13Å; S190-A536 CarbonylContact C-O 3.54Å; S190-A536 VanDerWaalsContact CA-O 3.28Å; S190-A536 WeakPolarHBondContact CA-O 3.48Å
191	V	98.8	Very high	92.9	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	129.1	-178.6	-174.8	0	0	0	0	109.6	F189 I235 V408 F535 A536 L538	F189-V191 HydrophobicContact CD2-CG2 3.81Å; F189-V191 HydrophobicContact CE2-CG2 3.61Å; V191-I235 CarbonylContact C-O 3.53Å; V191-I235 WeakPolarHBondContact CA-O 3.43Å; V191-I235 HydrophobicContact CG2-CB 4.33Å; V191-V408 HydrophobicContact CG1-CG1 3.99Å; V191-V408 HydrophobicContact CG2-CG1 4.17Å; V191-F535 WeakPolarHBondContact O-CA 3.44Å; V191-A536 PolarHBondContact N-O 2.84Å; V191-A536 PolarHBondContact O-N 3.42Å; V191-L538 HydrophobicContact CG2-CD1 3.78Å; V191-L538 HydrophobicContact CG2-CG 4.49Å
192	M	98.8	Very high	93.4	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	139.5	170.9	-177.7	-177.4	-172.4	0	0	110.5	Y194 E227 I228 C231 A233 I235 I236 S237 L534 F535	M192-Y194 HydrophobicContact CE-CD1 3.61Å; M192-Y194 HydrophobicContact CE-CE1 4.45Å; M192-Y194 HydrophobicContact CE-CG 3.95Å; M192-E227 HydrophobicContact CE-CG 4.15Å; M192-I228 HydrophobicContact CE-CB 4.44Å; M192-I228 HydrophobicContact CE-CG1 3.86Å; M192-I228 HydrophobicContact SD-CB 4.42Å; M192-I228 HydrophobicContact SD-CG1 4.19Å; M192-I228 HydrophobicContact SD-CG2 4.43Å; M192-C231 HydrophobicContact SD-CB 4.3Å; M192-A233 HydrophobicContact CB-CB 3.62Å; M192-I235 PolarHBondContact N-O 3.3Å; M192-I236 HydrophobicContact CB-CG1 4.37Å; M192-I236 HydrophobicContact CB-CG2 4.34Å; M192-I236 HydrophobicContact CG-CG2 4.42Å; M192-I236 HydrophobicContact SD-CG2 4.02Å; M192-S237 PolarHBondContact O-N 2.84Å; M192-L534 CarbonylContact C-O 3.32Å; M192-L534 VanDerWaalsContact CA-O 3.23Å; M192-L534 WeakPolarHBondContact CA-O 3.49Å; M192-F535 HydrophobicContact CB-CD2 4.35Å
193	C	98.8	Very high	94	Very high	1 Å²	1	27 Å²	27	1%	0.007	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	125.8	168.1	-177.6	0	0	0	0	108.9	S237 Q239 C410 I493 L534	C193-S237 CarbonylContact C-O 3.47Å; C193-S237 WeakPolarHBondContact CA-O 3.37Å; C193-Q239 PolarHBondContact SG-NE2 3.03Å; C193-Q239 VanDerWaalsContact SG-NE2 3.37Å; C193-C410 HydrophobicContact CB-CB 3.95Å; C193-I493 HydrophobicContact CB-CD1 4.03Å; C193-I493 HydrophobicContact CB-CG1 3.68Å; C193-L534 HydrophobicContact CB-CB 4.21Å; C193-L534 PolarHBondContact N-O 2.78Å; C193-L534 PolarHBondContact O-N 2.89Å
194	Y	98.9	Very high	94.4	Very high	6 Å²	6	24.7 Å²	24.7	2%	0.024	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	117.7	-174	-172.6	-149.1	0	0	0	113.9	M192 V196 I224 E227 I228 S237 L238 Q239 S529 H531	M192-Y194 HydrophobicContact CE-CD1 3.61Å; M192-Y194 HydrophobicContact CE-CE1 4.45Å; M192-Y194 HydrophobicContact CE-CG 3.95Å; Y194-V196 HydrophobicContact CD1-CG1 3.78Å; Y194-V196 HydrophobicContact CE1-CG1 4.03Å; Y194-V196 HydrophobicContact CG-CG1 4.32Å; Y194-I224 HydrophobicContact CE1-CG2 4.23Å; Y194-E227 HydrophobicContact CE1-CG 4.11Å; Y194-I228 HydrophobicContact CD1-CG1 4.38Å; Y194-S237 PolarHBondContact N-O 2.84Å; Y194-L238 HydrophobicContact CD1-CD2 4.39Å; Y194-L238 VanDerWaalsContact O-CA 3.29Å; Y194-L238 WeakPolarHBondContact O-CA 3.4Å; Y194-Q239 PolarHBondContact O-N 2.95Å; Y194-Q239 VanDerWaalsContact O-N 3.13Å; Y194-Q239 PolarHBondContact O-OE1 3.32Å; Y194-S529 WeakPolarHBondContact OH-CB 3.14Å; Y194-H531 WeakPolarHBondContact CE2-O 3.39Å
195	N	98.8	Very high	95	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.005	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	118	165.9	-176.5	-20.7	0	0	0	109.2	L197 Q239 E240 D412 S529 H531	N195-L197 PolarHBondContact OD1-N 3.01Å; N195-L197 VanDerWaalsContact OD1-N 3.11Å; N195-Q239 HydrophobicContact CB-CB 4.13Å; N195-Q239 VanDerWaalsContact N-OE1 3.09Å; N195-E240 PolarHBondContact ND2-OE1 3.4Å; N195-E240 VanDerWaalsContact ND2-OE1 3.16Å; N195-E240 WeakPolarHBondContact OD1-CB 3.28Å; N195-E240 VanDerWaalsContact OD1-CD 3.22Å; N195-E240 WeakPolarHBondContact OD1-CG 3.34Å; N195-D412 PolarHBondContact ND2-OD2 3.37Å; N195-S529 PolarHBondContact O-OG 2.94Å; N195-H531 HydrophobicContact CB-CB 4.12Å; N195-H531 PolarHBondContact ND2-NE2 3.28Å
196	V	98.4	Very high	95.5	Very high	1 Å²	1	33 Å²	33	1%	0.006	16%	0.16	C	C	.	.			trans	-91.7	-0.3	-170.3	-57.5	0	0	0	0	114.4	Y194 R220 I224 L238 Q239 V241 F250	Y194-V196 HydrophobicContact CD1-CG1 3.78Å; Y194-V196 HydrophobicContact CE1-CG1 4.03Å; Y194-V196 HydrophobicContact CG-CG1 4.32Å; V196-R220 PolarHBondContact O-NH1 3.3Å; V196-I224 HydrophobicContact CB-CD1 4.26Å; V196-I224 HydrophobicContact CB-CG2 4.05Å; V196-I224 HydrophobicContact CG1-CG2 3.8Å; V196-I224 WeakPolarHBondContact O-CD1 3.33Å; V196-L238 HydrophobicContact CG1-CD1 4.36Å; V196-L238 HydrophobicContact CG1-CD2 4.1Å; V196-Q239 WeakPolarHBondContact CG2-O 3.5Å; V196-Q239 PolarHBondContact N-O 3.4Å; V196-V241 HydrophobicContact CG2-CG2 4.48Å; V196-F250 HydrophobicContact CG2-CZ 4.22Å
197	L	98.4	Very high	95.8	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	16%	0.162	C	C	.	.			trans	55.3	96.7	-173.7	180	60.5	0	0	0	112.7	N195 A202 Y207 R220 E240 P523	N195-L197 PolarHBondContact OD1-N 3.01Å; N195-L197 VanDerWaalsContact OD1-N 3.11Å; L197-A202 HydrophobicContact CD2-CB 4.18Å; L197-A202 HydrophobicContact CG-CB 4.19Å; L197-Y207 HydrophobicContact CD1-CE2 3.91Å; L197-Y207 VanDerWaalsContact CD1-OH 3.23Å; L197-Y207 WeakPolarHBondContact CD1-OH 3.38Å; L197-Y207 HydrophobicContact CD2-CD2 4.47Å; L197-Y207 HydrophobicContact CD2-CE1 4.46Å; L197-Y207 HydrophobicContact CD2-CE2 3.81Å; L197-Y207 HydrophobicContact CG-CE2 4.46Å; L197-R220 PolarHBondContact O-NH1 2.85Å; L197-R220 PolarHBondContact O-NH2 3.29Å; L197-R220 VanDerWaalsContact O-NH2 3.1Å; L197-E240 WeakPolarHBondContact CA-OE2 3.49Å; L197-P523 HydrophobicContact CD2-CB 4.42Å; L197-P523 HydrophobicContact CD2-CG 3.8Å
198	C	96.6	Very high	95.9	Very high	2 Å²	2	33.8 Å²	33.8	1%	0.014	17%	0.165	C	C	.	.			trans	-62.3	155.3	179.5	65.4	0	0	0	0	112.1	K200 Y201 A202 E240 E242 D281	C198-K200 PolarHBondContact O-N 3.48Å; C198-Y201 PolarHBondContact O-N 2.86Å; C198-Y201 VanDerWaalsContact O-N 3.14Å; C198-Y201 WeakPolarHBondContact SG-CD2 3.37Å; C198-Y201 VanDerWaalsContact SG-CE2 3.58Å; C198-A202 PolarHBondContact O-N 3.38Å; C198-E240 HydrophobicContact CB-CB 4.07Å; C198-E240 WeakPolarHBondContact CB-O 3.1Å; C198-E240 PolarHBondContact N-OE2 2.74Å; C198-E240 PolarHBondContact SG-OE2 3.08Å; C198-E242 HydrophobicContact CB-CG 3.75Å; C198-D281 HydrophobicContact CB-CB 4.17Å
199	D	96.1	Very high	95.8	Very high	68 Å²	68	33.6 Å²	33.6	36%	0.364	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-36.6	-176.9	-169.4	53.7	0	0	0	111.5	Y201 A202 W217 R220 E242	D199-Y201 PolarHBondContact O-N 3.23Å; D199-Y201 VanDerWaalsContact O-N 3.14Å; D199-A202 PolarHBondContact O-N 2.86Å; D199-W217 HydrophobicContact CB-CB 3.99Å; D199-W217 HydrophobicContact CB-CG 4.37Å; D199-W217 WeakPolarHBondContact OD1-CB 3.43Å; D199-W217 PolarHBondContact OD1-N 3.4Å; D199-R220 IonicContact OD1-NH2 2.71Å; D199-E242 WeakPolarHBondContact CB-OE1 3.35Å; D199-E242 PolarHBondContact N-OE1 3.16Å
200	K	94.3	Very high	95.6	Very high	106 Å²	106	33.6 Å²	33.6	46%	0.461	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.7	-34.8	175.8	-173.4	174.1	-176.8	173.7	0	114	C198 E242	C198-K200 PolarHBondContact O-N 3.48Å; K200-E242 PolarHBondContact N-OE1 3.5Å; K200-E242 VanDerWaalsContact N-OE1 3.16Å
201	Y	95.1	Very high	95.4	Very high	74 Å²	74	33.4 Å²	33.4	29%	0.29	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.3	-18.9	-178.4	-59.9	-33.8	0	0	0	113.2	C198 D199 T203 Y207 E240	C198-Y201 PolarHBondContact O-N 2.86Å; C198-Y201 VanDerWaalsContact O-N 3.14Å; C198-Y201 WeakPolarHBondContact SG-CD2 3.37Å; C198-Y201 VanDerWaalsContact SG-CE2 3.58Å; D199-Y201 PolarHBondContact O-N 3.23Å; D199-Y201 VanDerWaalsContact O-N 3.14Å; Y201-T203 PolarHBondContact O-N 2.91Å; Y201-Y207 WeakPolarHBondContact O-CE2 3.46Å; Y201-E240 WeakPolarHBondContact CD2-OE2 3.5Å
202	A	96.9	Very high	95.2	Very high	10 Å²	10	35.6 Å²	35.6	8%	0.083	18%	0.176	C	C	.	.			trans	-70.7	59.1	178.3	0	0	0	0	0	113.8	L197 C198 D199 L215 R220	L197-A202 HydrophobicContact CD2-CB 4.18Å; L197-A202 HydrophobicContact CG-CB 4.19Å; C198-A202 PolarHBondContact O-N 3.38Å; D199-A202 PolarHBondContact O-N 2.86Å; A202-L215 HydrophobicContact CB-CD2 4.4Å; A202-R220 VanDerWaalsContact CB-NH2 3.32Å
203	T	94.8	Very high	95	Very high	53 Å²	53	39.6 Å²	39.6	33%	0.325	19%	0.192	S	C	.	.			trans	-103.4	153.1	-174.4	70.5	0	0	0	0	112.5	Y201 Q205 L206 Y207	Y201-T203 PolarHBondContact O-N 2.91Å; T203-Q205 PolarHBondContact O-N 3.03Å; T203-Q205 VanDerWaalsContact O-N 3.15Å; T203-L206 PolarHBondContact O-N 2.91Å; T203-L206 VanDerWaalsContact O-N 3.16Å; T203-Y207 PolarHBondContact O-N 2.89Å
204	R	90	Very high	94.7	Very high	56 Å²	56	39.6 Å²	39.6	21%	0.211	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-19.4	172.3	-70.4	-71	-62.6	172.2	5.4	113.9	N151 G208 C210 L215	N151-R204 PolarHBondContact OD1-NE 3.41Å; N151-R204 PolarHBondContact OD1-NH2 3.37Å; R204-G208 PolarHBondContact NH1-O 2.94Å; R204-G208 PolarHBondContact NH2-O 3.43Å; R204-G208 WeakPolarHBondContact O-CA 3.43Å; R204-G208 PolarHBondContact O-N 3.2Å; R204-C210 VanDerWaalsContact NH1-C 3.28Å; R204-C210 PolarHBondContact NH1-O 2.94Å; R204-L215 HydrophobicContact CG-CD1 4.18Å
205	Q	90.3	Very high	94.6	Very high	165 Å²	165	39.7 Å²	39.7	77%	0.771	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-37.6	176.9	-177.6	174.2	-5.9	0	0	111.7	T203	T203-Q205 PolarHBondContact O-N 3.03Å; T203-Q205 VanDerWaalsContact O-N 3.15Å
206	L	91.8	Very high	94.5	Very high	99 Å²	99	43.5 Å²	43.5	52%	0.518	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-37.4	177.5	-66.8	175.7	0	0	0	111.6	T203	T203-L206 PolarHBondContact O-N 2.91Å; T203-L206 VanDerWaalsContact O-N 3.16Å
207	Y	95.4	Very high	94.5	Very high	16 Å²	16	44.2 Å²	44.2	6%	0.063	22%	0.215	C	C	.	.			trans	-118.9	49.3	-172.6	-51.7	-72.2	0	0	0	111.6	L197 Y201 T203 Y209 C210 L215 T483 P523 D530	L197-Y207 HydrophobicContact CD1-CE2 3.91Å; L197-Y207 VanDerWaalsContact CD1-OH 3.23Å; L197-Y207 WeakPolarHBondContact CD1-OH 3.38Å; L197-Y207 HydrophobicContact CD2-CD2 4.47Å; L197-Y207 HydrophobicContact CD2-CE1 4.46Å; L197-Y207 HydrophobicContact CD2-CE2 3.81Å; L197-Y207 HydrophobicContact CG-CE2 4.46Å; Y201-Y207 WeakPolarHBondContact O-CE2 3.46Å; T203-Y207 PolarHBondContact O-N 2.89Å; Y207-Y209 HydrophobicContact CD1-CE2 4.46Å; Y207-Y209 AromaticContact CD1-CZ 3.96Å; Y207-Y209 WeakPolarHBondContact CD1-OH 3.23Å; Y207-Y209 PolarHBondContact O-N 3.19Å; Y207-Y209 VanDerWaalsContact O-N 3.08Å; Y207-C210 PolarHBondContact O-N 3.01Å; Y207-L215 HydrophobicContact CD2-CD2 4.23Å; Y207-L215 HydrophobicContact CG-CD2 4.25Å; Y207-T483 HydrophobicContact CE1-CG2 4.01Å; Y207-P523 HydrophobicContact CD1-CG 4.3Å; Y207-P523 HydrophobicContact CG-CG 4.24Å; Y207-D530 HydrophobicContact CE1-CB 3.81Å; Y207-D530 VanDerWaalsContact OH-CG 3.25Å; Y207-D530 PolarHBondContact OH-OD2 3Å
208	G	92.3	Very high	94.4	Very high	7 Å²	7	49 Å²	49	7%	0.072	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-20.3	-176.2	0	0	0	0	0	114.8	F120 L154 R204 C210	F120-G208 VanDerWaalsContact CB-O 3.27Å; F120-G208 WeakPolarHBondContact CB-O 3.32Å; L154-G208 WeakPolarHBondContact CD2-O 3.28Å; R204-G208 PolarHBondContact NH1-O 2.94Å; R204-G208 PolarHBondContact NH2-O 3.43Å; R204-G208 WeakPolarHBondContact O-CA 3.43Å; R204-G208 PolarHBondContact O-N 3.2Å; G208-C210 VanDerWaalsContact C-N 3.35Å
209	Y	91.6	Very high	94.3	Very high	26 Å²	26	53.3 Å²	53.3	10%	0.102	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-16.4	173.2	45.8	-92.5	0	0	0	114	F120 Y207 T483 F484 G521 C522	F120-Y209 HydrophobicContact CD1-CD1 4.26Å; F120-Y209 HydrophobicContact CD1-CG 4.44Å; F120-Y209 HydrophobicContact CD2-CD1 4.4Å; F120-Y209 AromaticContact CE1-CD1 3.94Å; F120-Y209 HydrophobicContact CE1-CD1 3.94Å; F120-Y209 HydrophobicContact CE1-CG 4.31Å; F120-Y209 HydrophobicContact CE2-CD1 4.04Å; F120-Y209 AromaticContact CZ-CD1 3.84Å; F120-Y209 HydrophobicContact CZ-CD1 3.84Å; Y207-Y209 HydrophobicContact CD1-CE2 4.46Å; Y207-Y209 AromaticContact CD1-CZ 3.96Å; Y207-Y209 WeakPolarHBondContact CD1-OH 3.23Å; Y207-Y209 PolarHBondContact O-N 3.19Å; Y207-Y209 VanDerWaalsContact O-N 3.08Å; Y209-T483 WeakPolarHBondContact OH-CA 3.31Å; Y209-F484 HydrophobicContact CD1-CB 3.85Å; Y209-F484 HydrophobicContact CE1-CB 3.48Å; Y209-F484 VanDerWaalsContact CE1-CB 3.48Å; Y209-F484 PolarHBondContact OH-N 3.16Å; Y209-G521 WeakPolarHBondContact CE2-O 3.42Å; Y209-C522 PolarHBondContact OH-O 3.1Å
210	C	94.1	Very high	94.4	Very high	1 Å²	1	50 Å²	50	1%	0.007	24%	0.237	C	C	.	.	S	Bend	trans	-100.9	121.9	-175.6	-172.2	0	0	0	0	111.4	R204 Y207 G208 L215 P523	R204-C210 VanDerWaalsContact NH1-C 3.28Å; R204-C210 PolarHBondContact NH1-O 2.94Å; Y207-C210 PolarHBondContact O-N 3.01Å; G208-C210 VanDerWaalsContact C-N 3.35Å; C210-L215 HydrophobicContact CB-CD1 4.35Å; C210-L215 HydrophobicContact CB-CD2 3.91Å; C210-L215 HydrophobicContact CB-CG 3.96Å; C210-L215 WeakPolarHBondContact O-CD1 3.39Å; C210-P523 VanDerWaalsContact CB-O 3.27Å; C210-P523 WeakPolarHBondContact CB-O 3.3Å; C210-P523 PolarHBondContact SG-O 3.28Å
211	P	93.9	Very high	94.5	Very high	10 Å²	10	46.6 Å²	46.6	7%	0.065	22%	0.222	C	C	.	.			trans	-50.3	145.2	179.3	-25.2	31.7	0	0	0	113.6	L154 D155 W213 A214 L215 P525	L154-P211 HydrophobicContact CD1-CG 4Å; L154-P211 HydrophobicContact CG-CB 4.42Å; L154-P211 HydrophobicContact CG-CG 3.98Å; D155-P211 WeakPolarHBondContact OD1-CA 3.34Å; P211-W213 VanDerWaalsContact C-N 3.27Å; P211-W213 HydrophobicContact CB-CD2 4.3Å; P211-W213 HydrophobicContact CB-CG 4.29Å; P211-W213 HydrophobicContact CB-CZ2 4.24Å; P211-W213 VanDerWaalsContact CB-NE1 3.29Å; P211-W213 HydrophobicContact CG-CZ2 4.26Å; P211-W213 PolarHBondContact O-N 3.25Å; P211-A214 HydrophobicContact CB-CB 4.3Å; P211-A214 WeakPolarHBondContact O-CA 3.39Å; P211-A214 WeakPolarHBondContact O-CB 3.41Å; P211-A214 PolarHBondContact O-N 3.09Å; P211-L215 PolarHBondContact O-N 2.87Å; P211-P525 HydrophobicContact CG-CG 4.24Å
212	S	94.1	Very high	94.5	Very high	45 Å²	45	49.7 Å²	49.7	32%	0.315	24%	0.237	S	C	.	.	H	α-helix	trans	-57.9	-39	-176.8	-48.4	0	0	0	0	112.4	D155 A214 L215 N216	D155-S212 WeakPolarHBondContact OD1-CB 3.27Å; D155-S212 PolarHBondContact OD1-N 3.09Å; D155-S212 PolarHBondContact OD1-OG 3.21Å; D155-S212 WeakPolarHBondContact OD2-CB 3.46Å; D155-S212 PolarHBondContact OD2-OG 3.06Å; S212-A214 VanDerWaalsContact C-N 3.29Å; S212-A214 PolarHBondContact O-N 3.44Å; S212-L215 PolarHBondContact O-N 2.92Å; S212-N216 PolarHBondContact O-N 3.24Å; S212-N216 VanDerWaalsContact O-N 3.08Å
213	W	94.3	Very high	94.4	Very high	85 Å²	85	50.5 Å²	50.5	32%	0.322	24%	0.244	S	C	.	.	H	α-helix	trans	-68	-29.4	177	61	-99	0	0	0	112.7	D155 A158 P211 Y219 P525	D155-W213 PolarHBondContact O-NE1 3.25Å; D155-W213 VanDerWaalsContact O-NE1 3.15Å; A158-W213 HydrophobicContact CB-CH2 4.45Å; A158-W213 HydrophobicContact CB-CZ2 3.77Å; P211-W213 VanDerWaalsContact C-N 3.27Å; P211-W213 HydrophobicContact CB-CD2 4.3Å; P211-W213 HydrophobicContact CB-CG 4.29Å; P211-W213 HydrophobicContact CB-CZ2 4.24Å; P211-W213 VanDerWaalsContact CB-NE1 3.29Å; P211-W213 HydrophobicContact CG-CZ2 4.26Å; P211-W213 PolarHBondContact O-N 3.25Å; W213-Y219 HydrophobicContact CE3-CD2 4.12Å; W213-Y219 HydrophobicContact CE3-CE1 4.41Å; W213-Y219 AromaticContact CE3-CE2 3.95Å; W213-Y219 HydrophobicContact CE3-CE2 3.95Å; W213-Y219 HydrophobicContact CE3-CG 4.43Å; W213-Y219 HydrophobicContact CZ3-CD2 4.28Å; W213-Y219 HydrophobicContact CZ3-CE1 4.02Å; W213-Y219 AromaticContact CZ3-CE2 3.65Å; W213-Y219 HydrophobicContact CZ3-CE2 3.65Å; W213-Y219 AromaticContact CZ3-CZ 3.51Å; W213-Y219 VanDerWaalsContact O-CB 3.24Å; W213-Y219 WeakPolarHBondContact O-CB 3.34Å; W213-P525 HydrophobicContact CH2-CB 3.59Å; W213-P525 HydrophobicContact CH2-CG 3.69Å; W213-P525 HydrophobicContact CZ2-CB 4.36Å; W213-P525 HydrophobicContact CZ2-CG 3.97Å; W213-P525 HydrophobicContact CZ3-CB 4.16Å; W213-P525 HydrophobicContact CZ3-CG 4.43Å
214	A	93.6	Very high	94.6	Very high	1 Å²	1	48 Å²	48	1%	0.008	23%	0.228	C	C	.	.	H	α-helix	trans	-81.3	-26.2	177.2	0	0	0	0	0	112	P211 S212 Y219 R220 P525	P211-A214 HydrophobicContact CB-CB 4.3Å; P211-A214 WeakPolarHBondContact O-CA 3.39Å; P211-A214 WeakPolarHBondContact O-CB 3.41Å; P211-A214 PolarHBondContact O-N 3.09Å; S212-A214 VanDerWaalsContact C-N 3.29Å; S212-A214 PolarHBondContact O-N 3.44Å; A214-Y219 HydrophobicContact CB-CD1 4.47Å; A214-Y219 HydrophobicContact CB-CE1 4.36Å; A214-R220 WeakPolarHBondContact O-CD 3.26Å; A214-R220 WeakPolarHBondContact O-CG 3.28Å; A214-P525 HydrophobicContact CB-CB 4.34Å; A214-P525 HydrophobicContact CB-CG 3.87Å
215	L	95.9	Very high	95	Very high	7 Å²	7	45.8 Å²	45.8	4%	0.037	22%	0.221	C	C	.	.	H	α-helix	trans	-76.2	-26.1	171.3	-72.5	175.1	0	0	0	113.2	A202 R204 Y207 C210 P211 S212 W217 R220 P523	A202-L215 HydrophobicContact CB-CD2 4.4Å; R204-L215 HydrophobicContact CG-CD1 4.18Å; Y207-L215 HydrophobicContact CD2-CD2 4.23Å; Y207-L215 HydrophobicContact CG-CD2 4.25Å; C210-L215 HydrophobicContact CB-CD1 4.35Å; C210-L215 HydrophobicContact CB-CD2 3.91Å; C210-L215 HydrophobicContact CB-CG 3.96Å; C210-L215 WeakPolarHBondContact O-CD1 3.39Å; P211-L215 PolarHBondContact O-N 2.87Å; S212-L215 PolarHBondContact O-N 2.92Å; L215-W217 PolarHBondContact O-N 2.99Å; L215-R220 WeakPolarHBondContact O-CD 3.23Å; L215-R220 PolarHBondContact O-NE 2.97Å; L215-P523 HydrophobicContact CD2-CG 3.46Å; L215-P523 VanDerWaalsContact CD2-CG 3.46Å
216	N	96.9	Very high	95.3	Very high	81 Å²	81	44.6 Å²	44.6	43%	0.433	22%	0.215	S	C	.	.	S	Bend	trans	-56.7	130.7	-177.8	-175.2	-82.8	0	0	0	111.9	S212 E218 Y219 R220	S212-N216 PolarHBondContact O-N 3.24Å; S212-N216 VanDerWaalsContact O-N 3.08Å; N216-E218 VanDerWaalsContact C-N 3.3Å; N216-E218 PolarHBondContact O-N 2.9Å; N216-E218 VanDerWaalsContact OD1-CB 3.27Å; N216-E218 WeakPolarHBondContact OD1-CB 3.27Å; N216-E218 PolarHBondContact OD1-N 3.49Å; N216-Y219 WeakPolarHBondContact O-CB 3.34Å; N216-Y219 PolarHBondContact O-N 3.46Å; N216-R220 PolarHBondContact O-N 3.32Å
217	W	97.6	Very high	95.5	Very high	17 Å²	17	42.2 Å²	42.2	6%	0.064	20%	0.201	C	C	.	.	H	α-helix	trans	-53.3	-41.6	179.9	178.6	-116.4	0	0	0	114.5	D199 L215 Y219 R220 K221 I224 Q245 F249 F250	D199-W217 HydrophobicContact CB-CB 3.99Å; D199-W217 HydrophobicContact CB-CG 4.37Å; D199-W217 WeakPolarHBondContact OD1-CB 3.43Å; D199-W217 PolarHBondContact OD1-N 3.4Å; L215-W217 PolarHBondContact O-N 2.99Å; W217-Y219 PolarHBondContact O-N 3.28Å; W217-R220 PolarHBondContact O-N 2.87Å; W217-K221 HydrophobicContact CD2-CB 3.96Å; W217-K221 HydrophobicContact CE3-CB 4.25Å; W217-K221 HydrophobicContact CH2-CB 3.93Å; W217-K221 HydrophobicContact CZ2-CB 3.59Å; W217-K221 HydrophobicContact CZ2-CD 4.45Å; W217-K221 HydrophobicContact CZ3-CB 4.24Å; W217-K221 VanDerWaalsContact O-CB 3.27Å; W217-K221 WeakPolarHBondContact O-CB 3.42Å; W217-K221 VanDerWaalsContact O-CG 3.32Å; W217-K221 WeakPolarHBondContact O-CG 3.5Å; W217-K221 PolarHBondContact O-N 3.48Å; W217-I224 HydrophobicContact CH2-CD1 4.24Å; W217-I224 HydrophobicContact CZ3-CD1 3.7Å; W217-Q245 HydrophobicContact CZ2-CB 3.95Å; W217-Q245 HydrophobicContact CZ2-CG 3.73Å; W217-F249 HydrophobicContact CZ2-CD1 4.26Å; W217-F250 AromaticContact CH2-CE2 3.91Å; W217-F250 HydrophobicContact CH2-CE2 3.91Å; W217-F250 AromaticContact CH2-CZ 3.86Å; W217-F250 HydrophobicContact CH2-CZ 3.86Å; W217-F250 HydrophobicContact CZ2-CE2 4.12Å; W217-F250 HydrophobicContact CZ2-CZ 4.4Å
218	E	97	Very high	95.6	Very high	101 Å²	101	41.5 Å²	41.5	47%	0.472	20%	0.199	S	C	.	.	H	α-helix	trans	-63.8	-27.2	-178.6	-64.5	-61	118.7	0	0	112.6	N216 K221	N216-E218 VanDerWaalsContact C-N 3.3Å; N216-E218 PolarHBondContact O-N 2.9Å; N216-E218 VanDerWaalsContact OD1-CB 3.27Å; N216-E218 WeakPolarHBondContact OD1-CB 3.27Å; N216-E218 PolarHBondContact OD1-N 3.49Å; E218-K221 IonicContact OE1-NZ 2.79Å; E218-K221 PolarHBondContact OE1-NZ 3.43Å; E218-K221 WeakPolarHBondContact OE2-CE 3.43Å; E218-K221 IonicContact OE2-NZ 3.74Å; E218-K221 PolarHBondContact OE2-NZ 3.48Å
219	Y	94.9	Very high	95.8	Very high	91 Å²	91	43.3 Å²	43.3	36%	0.357	21%	0.206	S	C	.	.	H	α-helix	trans	-78.2	-55.3	171.3	-177.7	-91.5	0	0	0	111	W213 A214 N216 W217 K221 P525	W213-Y219 HydrophobicContact CE3-CD2 4.12Å; W213-Y219 HydrophobicContact CE3-CE1 4.41Å; W213-Y219 AromaticContact CE3-CE2 3.95Å; W213-Y219 HydrophobicContact CE3-CE2 3.95Å; W213-Y219 HydrophobicContact CE3-CG 4.43Å; W213-Y219 HydrophobicContact CZ3-CD2 4.28Å; W213-Y219 HydrophobicContact CZ3-CE1 4.02Å; W213-Y219 AromaticContact CZ3-CE2 3.65Å; W213-Y219 HydrophobicContact CZ3-CE2 3.65Å; W213-Y219 AromaticContact CZ3-CZ 3.51Å; W213-Y219 VanDerWaalsContact O-CB 3.24Å; W213-Y219 WeakPolarHBondContact O-CB 3.34Å; A214-Y219 HydrophobicContact CB-CD1 4.47Å; A214-Y219 HydrophobicContact CB-CE1 4.36Å; N216-Y219 WeakPolarHBondContact O-CB 3.34Å; N216-Y219 PolarHBondContact O-N 3.46Å; W217-Y219 PolarHBondContact O-N 3.28Å; Y219-K221 PolarHBondContact O-N 2.55Å; Y219-P525 WeakPolarHBondContact CE1-O 3.47Å; Y219-P525 PolarHBondContact OH-O 3.34Å
220	R	97.2	Very high	95.9	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-63.9	-41.4	-173.1	-65.5	-170.5	-57.9	108.5	-3.1	113.5	V196 L197 D199 A202 A214 L215 N216 W217 K222 A223 I224 P528	V196-R220 PolarHBondContact O-NH1 3.3Å; L197-R220 PolarHBondContact O-NH1 2.85Å; L197-R220 PolarHBondContact O-NH2 3.29Å; L197-R220 VanDerWaalsContact O-NH2 3.1Å; D199-R220 IonicContact OD1-NH2 2.71Å; A202-R220 VanDerWaalsContact CB-NH2 3.32Å; A214-R220 WeakPolarHBondContact O-CD 3.26Å; A214-R220 WeakPolarHBondContact O-CG 3.28Å; L215-R220 WeakPolarHBondContact O-CD 3.23Å; L215-R220 PolarHBondContact O-NE 2.97Å; N216-R220 PolarHBondContact O-N 3.32Å; W217-R220 PolarHBondContact O-N 2.87Å; R220-K222 PolarHBondContact O-N 3.23Å; R220-K222 VanDerWaalsContact O-N 3.09Å; R220-A223 PolarHBondContact O-N 3.02Å; R220-I224 HydrophobicContact CB-CD1 4.12Å; R220-I224 WeakPolarHBondContact O-CG1 3.36Å; R220-I224 PolarHBondContact O-N 3.09Å; R220-P528 HydrophobicContact CB-CB 4.17Å; R220-P528 WeakPolarHBondContact CD-O 3.36Å; R220-P528 HydrophobicContact CG-CB 4.46Å; R220-P528 PolarHBondContact NH1-O 2.79Å
221	K	97.4	Very high	95.9	Very high	33 Å²	33	47 Å²	47	14%	0.143	24%	0.235	C	C	.	.	H	α-helix	trans	-57.1	-32.2	-173.4	76.4	-175.2	-175.9	-176.2	0	113.1	W217 E218 Y219 M225 F249	W217-K221 HydrophobicContact CD2-CB 3.96Å; W217-K221 HydrophobicContact CE3-CB 4.25Å; W217-K221 HydrophobicContact CH2-CB 3.93Å; W217-K221 HydrophobicContact CZ2-CB 3.59Å; W217-K221 HydrophobicContact CZ2-CD 4.45Å; W217-K221 HydrophobicContact CZ3-CB 4.24Å; W217-K221 VanDerWaalsContact O-CB 3.27Å; W217-K221 WeakPolarHBondContact O-CB 3.42Å; W217-K221 VanDerWaalsContact O-CG 3.32Å; W217-K221 WeakPolarHBondContact O-CG 3.5Å; W217-K221 PolarHBondContact O-N 3.48Å; E218-K221 IonicContact OE1-NZ 2.79Å; E218-K221 PolarHBondContact OE1-NZ 3.43Å; E218-K221 WeakPolarHBondContact OE2-CE 3.43Å; E218-K221 IonicContact OE2-NZ 3.74Å; E218-K221 PolarHBondContact OE2-NZ 3.48Å; Y219-K221 PolarHBondContact O-N 2.55Å; K221-M225 WeakPolarHBondContact O-CB 3.48Å; K221-M225 PolarHBondContact O-N 3.45Å; K221-F249 HydrophobicContact CB-CD1 4.34Å; K221-F249 HydrophobicContact CB-CE1 3.71Å; K221-F249 HydrophobicContact CB-CZ 3.98Å; K221-F249 HydrophobicContact CD-CE1 4.49Å; K221-F249 HydrophobicContact CD-CZ 4.43Å; K221-F249 HydrophobicContact CG-CE1 4.2Å; K221-F249 HydrophobicContact CG-CE2 4.46Å; K221-F249 HydrophobicContact CG-CZ 4.02Å; K221-F249 WeakPolarHBondContact O-CZ 3.36Å
222	K	94.4	Very high	96	Very high	139 Å²	139	50.8 Å²	50.8	60%	0.604	26%	0.255	S	S	*	.	H	α-helix	trans	-66	-48.3	176.9	-63.8	179.4	-176.1	176.1	0	111.4	R220 M225 Q226	R220-K222 PolarHBondContact O-N 3.23Å; R220-K222 VanDerWaalsContact O-N 3.09Å; K222-M225 PolarHBondContact O-N 3.08Å; K222-Q226 WeakPolarHBondContact O-CG 3.34Å; K222-Q226 PolarHBondContact O-N 2.92Å
223	A	95.3	Very high	96.2	Very high	28 Å²	28	48.7 Å²	48.7	23%	0.231	24%	0.24	C	C	.	.	H	α-helix	trans	-69.2	-36.5	178.1	0	0	0	0	0	111.9	R220 M225 Q226 E227 P528	R220-A223 PolarHBondContact O-N 3.02Å; A223-M225 PolarHBondContact O-N 2.78Å; A223-Q226 WeakPolarHBondContact O-CB 3.24Å; A223-Q226 PolarHBondContact O-N 3.13Å; A223-E227 PolarHBondContact O-N 2.87Å; A223-P528 HydrophobicContact CB-CB 3.76Å; A223-P528 HydrophobicContact CB-CG 3.74Å
224	I	98.4	Very high	96.4	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-58.4	-48.1	172.6	-69.8	162.9	0	0	0	110.3	Y194 V196 W217 R220 Q226 E227 I228 F250 P528	Y194-I224 HydrophobicContact CE1-CG2 4.23Å; V196-I224 HydrophobicContact CB-CD1 4.26Å; V196-I224 HydrophobicContact CB-CG2 4.05Å; V196-I224 HydrophobicContact CG1-CG2 3.8Å; V196-I224 WeakPolarHBondContact O-CD1 3.33Å; W217-I224 HydrophobicContact CH2-CD1 4.24Å; W217-I224 HydrophobicContact CZ3-CD1 3.7Å; R220-I224 HydrophobicContact CB-CD1 4.12Å; R220-I224 WeakPolarHBondContact O-CG1 3.36Å; R220-I224 PolarHBondContact O-N 3.09Å; I224-Q226 VanDerWaalsContact C-N 3.34Å; I224-Q226 PolarHBondContact O-N 3.15Å; I224-E227 PolarHBondContact O-N 3.08Å; I224-I228 HydrophobicContact CG2-CD1 3.93Å; I224-I228 WeakPolarHBondContact O-CG1 3.23Å; I224-I228 PolarHBondContact O-N 3.35Å; I224-F250 HydrophobicContact CG2-CE1 3.96Å; I224-F250 HydrophobicContact CG2-CZ 4.19Å; I224-P528 HydrophobicContact CG1-CB 3.82Å; I224-P528 HydrophobicContact CG1-CG 3.81Å
225	M	98.1	Very high	96.6	Very high	10 Å²	10	45 Å²	45	5%	0.049	23%	0.227	C	C	.	.	H	α-helix	trans	-65.6	-38.2	177.9	-172.6	57.6	65.3	0	0	111.8	K221 K222 A223 E227 I228 L229 F249 F250 E253 L254	K221-M225 WeakPolarHBondContact O-CB 3.48Å; K221-M225 PolarHBondContact O-N 3.45Å; K222-M225 PolarHBondContact O-N 3.08Å; A223-M225 PolarHBondContact O-N 2.78Å; M225-E227 VanDerWaalsContact C-N 3.34Å; M225-E227 PolarHBondContact O-N 2.9Å; M225-I228 PolarHBondContact O-N 3.05Å; M225-L229 HydrophobicContact CG-CD1 3.86Å; M225-L229 HydrophobicContact CG-CG 4.16Å; M225-L229 WeakPolarHBondContact O-CB 3.42Å; M225-L229 VanDerWaalsContact O-CG 3.23Å; M225-L229 WeakPolarHBondContact O-CG 3.23Å; M225-L229 PolarHBondContact O-N 3.02Å; M225-L229 HydrophobicContact SD-CD1 4.19Å; M225-L229 HydrophobicContact SD-CD2 4.35Å; M225-L229 HydrophobicContact SD-CG 3.98Å; M225-F249 HydrophobicContact CB-CE1 4.34Å; M225-F249 HydrophobicContact CB-CZ 3.81Å; M225-F249 HydrophobicContact CE-CD1 4.4Å; M225-F249 HydrophobicContact CE-CE1 3.87Å; M225-F249 HydrophobicContact CE-CZ 3.95Å; M225-F249 HydrophobicContact CG-CZ 4.34Å; M225-F250 HydrophobicContact CE-CD1 3.78Å; M225-F250 HydrophobicContact CE-CE1 4.36Å; M225-E253 HydrophobicContact CE-CB 3.65Å; M225-E253 HydrophobicContact CE-CG 4.09Å; M225-E253 HydrophobicContact CG-CB 4.49Å; M225-E253 HydrophobicContact SD-CB 4.04Å; M225-L254 HydrophobicContact CE-CG 4.44Å; M225-L254 HydrophobicContact SD-CD2 4.13Å; M225-L254 HydrophobicContact SD-CG 4.39Å
226	Q	96	Very high	96.8	Very high	139 Å²	139	44.6 Å²	44.6	65%	0.65	23%	0.225	S	C	*	.	H	α-helix	trans	-59.9	-42.3	174.2	-76.3	176.4	-24.8	0	0	112.4	K222 A223 I224 L229 S230	K222-Q226 WeakPolarHBondContact O-CG 3.34Å; K222-Q226 PolarHBondContact O-N 2.92Å; A223-Q226 WeakPolarHBondContact O-CB 3.24Å; A223-Q226 PolarHBondContact O-N 3.13Å; I224-Q226 VanDerWaalsContact C-N 3.34Å; I224-Q226 PolarHBondContact O-N 3.15Å; Q226-L229 PolarHBondContact O-N 3.1Å; Q226-S230 VanDerWaalsContact O-CB 3.26Å; Q226-S230 WeakPolarHBondContact O-CB 3.21Å; Q226-S230 PolarHBondContact O-N 3.14Å; Q226-S230 PolarHBondContact O-OG 3.19Å
227	E	96.3	Very high	96.9	Very high	50 Å²	50	40.8 Å²	40.8	23%	0.234	20%	0.204	C	C	.	.	H	α-helix	trans	-62.5	-44	174.7	177.5	68.3	-178.3	0	0	111.9	R172 M192 Y194 A223 I224 M225 L229 S230 C231 S533	R172-E227 IonicContact NH1-OE1 3.74Å; M192-E227 HydrophobicContact CE-CG 4.15Å; Y194-E227 HydrophobicContact CE1-CG 4.11Å; A223-E227 PolarHBondContact O-N 2.87Å; I224-E227 PolarHBondContact O-N 3.08Å; M225-E227 VanDerWaalsContact C-N 3.34Å; M225-E227 PolarHBondContact O-N 2.9Å; E227-L229 PolarHBondContact O-N 3.17Å; E227-S230 PolarHBondContact O-OG 3.14Å; E227-C231 PolarHBondContact O-N 2.81Å; E227-C231 PolarHBondContact O-SG 2.89Å; E227-C231 VanDerWaalsContact O-SG 3.37Å; E227-S533 WeakPolarHBondContact OE1-CB 3.33Å; E227-S533 PolarHBondContact OE1-OG 3.05Å
228	I	98	Very high	96.9	Very high	1 Å²	1	40 Å²	40	1%	0.005	20%	0.201	C	C	.	.	H	α-helix	trans	-62.2	-45.3	177.6	-67.6	166.1	0	0	0	110.8	M192 Y194 I224 M225 N232 I236 L238 F250 L254	M192-I228 HydrophobicContact CE-CB 4.44Å; M192-I228 HydrophobicContact CE-CG1 3.86Å; M192-I228 HydrophobicContact SD-CB 4.42Å; M192-I228 HydrophobicContact SD-CG1 4.19Å; M192-I228 HydrophobicContact SD-CG2 4.43Å; Y194-I228 HydrophobicContact CD1-CG1 4.38Å; I224-I228 HydrophobicContact CG2-CD1 3.93Å; I224-I228 WeakPolarHBondContact O-CG1 3.23Å; I224-I228 PolarHBondContact O-N 3.35Å; M225-I228 PolarHBondContact O-N 3.05Å; I228-N232 PolarHBondContact O-N 3.41Å; I228-I236 HydrophobicContact CG2-CD1 3.66Å; I228-I236 HydrophobicContact CG2-CG2 4.44Å; I228-L238 HydrophobicContact CD1-CD1 3.93Å; I228-L238 HydrophobicContact CD1-CD2 4.21Å; I228-F250 HydrophobicContact CD1-CD1 4.24Å; I228-F250 HydrophobicContact CD1-CE1 3.89Å; I228-L254 HydrophobicContact CG2-CD2 3.92Å
229	L	96.6	Very high	97	Very high	44 Å²	44	35.1 Å²	35.1	23%	0.23	18%	0.179	C	C	.	.	H	α-helix	trans	-75.4	-29.9	-177.2	-65.7	-179.5	0	0	0	113.2	M225 Q226 E227 C231 N232 L254 R257	M225-L229 HydrophobicContact CG-CD1 3.86Å; M225-L229 HydrophobicContact CG-CG 4.16Å; M225-L229 WeakPolarHBondContact O-CB 3.42Å; M225-L229 VanDerWaalsContact O-CG 3.23Å; M225-L229 WeakPolarHBondContact O-CG 3.23Å; M225-L229 PolarHBondContact O-N 3.02Å; M225-L229 HydrophobicContact SD-CD1 4.19Å; M225-L229 HydrophobicContact SD-CD2 4.35Å; M225-L229 HydrophobicContact SD-CG 3.98Å; Q226-L229 PolarHBondContact O-N 3.1Å; E227-L229 PolarHBondContact O-N 3.17Å; L229-C231 VanDerWaalsContact C-N 3.35Å; L229-N232 PolarHBondContact O-N 3.31Å; L229-L254 HydrophobicContact CD2-CD2 4.05Å; L229-R257 HydrophobicContact CD2-CB 4.49Å; L229-R257 HydrophobicContact CD2-CG 3.8Å
230	S	94.3	Very high	97.2	Very high	85 Å²	85	31.6 Å²	31.6	59%	0.594	17%	0.165	S	C	*	.	H	α-helix	trans	-67.1	-37.4	176.5	70.5	0	0	0	0	111.5	Q226 E227	Q226-S230 VanDerWaalsContact O-CB 3.26Å; Q226-S230 WeakPolarHBondContact O-CB 3.21Å; Q226-S230 PolarHBondContact O-N 3.14Å; Q226-S230 PolarHBondContact O-OG 3.19Å; E227-S230 PolarHBondContact O-OG 3.14Å
231	C	92.8	Very high	97.2	Very high	19 Å²	19	31.6 Å²	31.6	13%	0.128	17%	0.165	C	C	.	.	H	α-helix	trans	-69.6	-32.7	174.7	-67.7	0	0	0	0	112.5	M192 E227 L229 A233 F535	M192-C231 HydrophobicContact SD-CB 4.3Å; E227-C231 PolarHBondContact O-N 2.81Å; E227-C231 PolarHBondContact O-SG 2.89Å; E227-C231 VanDerWaalsContact O-SG 3.37Å; L229-C231 VanDerWaalsContact C-N 3.35Å; C231-A233 PolarHBondContact O-N 3.11Å; C231-A233 VanDerWaalsContact O-N 3.15Å; C231-F535 HydrophobicContact CB-CD2 3.72Å; C231-F535 HydrophobicContact CB-CE2 3.97Å; C231-F535 HydrophobicContact CB-CG 4.47Å; C231-F535 VanDerWaalsContact O-CE2 3.22Å; C231-F535 WeakPolarHBondContact O-CE2 3.23Å
232	N	96.3	Very high	97.3	Very high	91 Å²	91	30.4 Å²	30.4	49%	0.487	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.8	37.5	179.8	-171.7	25.3	0	0	0	113.7	I228 L229 K288	I228-N232 PolarHBondContact O-N 3.41Å; L229-N232 PolarHBondContact O-N 3.31Å; N232-K288 PolarHBondContact O-NZ 3.17Å; N232-K288 VanDerWaalsContact O-NZ 3.09Å; N232-K288 WeakPolarHBondContact OD1-CE 3.17Å; N232-K288 PolarHBondContact OD1-NZ 2.92Å
233	A	98.3	Very high	97.4	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.137	C	C	.	.			trans	-64	144.8	-174.7	0	0	0	0	0	112.3	S190 M192 C231 I235 I236 Y259 F535	S190-A233 WeakPolarHBondContact OG-CA 3.36Å; M192-A233 HydrophobicContact CB-CB 3.62Å; C231-A233 PolarHBondContact O-N 3.11Å; C231-A233 VanDerWaalsContact O-N 3.15Å; A233-I235 VanDerWaalsContact C-N 3.29Å; A233-I235 WeakPolarHBondContact CB-O 3.44Å; A233-I235 PolarHBondContact O-N 2.9Å; A233-I236 HydrophobicContact CB-CG1 3.99Å; A233-Y259 WeakPolarHBondContact O-CE1 3.31Å; A233-Y259 VanDerWaalsContact O-CZ 3.26Å; A233-Y259 PolarHBondContact O-OH 3.06Å; A233-F535 HydrophobicContact CB-CD2 3.87Å; A233-F535 HydrophobicContact CB-CE2 3.59Å
234	D	98.6	Very high	97.5	Very high	8 Å²	8	26.7 Å²	26.7	4%	0.043	14%	0.142	C	C	.	.	S	Bend	trans	-72.8	-28.2	178.5	-59.2	-51.8	0	0	0	112.6	F189 S190 F287 K288 K291 F292	F189-D234 VanDerWaalsContact CA-OD2 3.26Å; F189-D234 WeakPolarHBondContact CA-OD2 3.36Å; F189-D234 HydrophobicContact CB-CB 4.16Å; S190-D234 PolarHBondContact N-OD2 3.22Å; S190-D234 PolarHBondContact O-N 3.22Å; S190-D234 VanDerWaalsContact O-N 3.13Å; S190-D234 PolarHBondContact OG-N 2.94Å; S190-D234 PolarHBondContact OG-OD2 2.83Å; S190-D234 VanDerWaalsContact OG-OD2 3.08Å; D234-F287 VanDerWaalsContact O-CA 3.32Å; D234-F287 WeakPolarHBondContact O-CA 3.28Å; D234-K288 PolarHBondContact O-N 3.42Å; D234-K288 WeakPolarHBondContact OD1-CD 3.29Å; D234-K288 IonicContact OD1-NZ 3.74Å; D234-K288 PolarHBondContact OD1-NZ 2.86Å; D234-K291 HydrophobicContact CB-CD 4.03Å; D234-K291 WeakPolarHBondContact OD1-CD 3.39Å; D234-K291 WeakPolarHBondContact OD1-CE 3.43Å; D234-K291 IonicContact OD1-NZ 2.65Å; D234-K291 PolarHBondContact OD1-NZ 2.61Å; D234-K291 IonicContact OD2-NZ 3.08Å; D234-K291 PolarHBondContact OD2-NZ 3.39Å; D234-F292 HydrophobicContact CB-CE2 4.05Å
235	I	98.9	Very high	97.5	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	131.6	175.5	-54.3	-178.1	0	0	0	108.2	F189 S190 V191 M192 A233 I285 F286 F287 F292 L332 V357	F189-I235 HydrophobicContact CD2-CD1 3.84Å; F189-I235 HydrophobicContact CD2-CG1 4.41Å; F189-I235 HydrophobicContact CE2-CD1 3.91Å; S190-I235 PolarHBondContact O-N 3.13Å; V191-I235 CarbonylContact C-O 3.53Å; V191-I235 WeakPolarHBondContact CA-O 3.43Å; V191-I235 HydrophobicContact CG2-CB 4.33Å; M192-I235 PolarHBondContact N-O 3.3Å; A233-I235 VanDerWaalsContact C-N 3.29Å; A233-I235 WeakPolarHBondContact CB-O 3.44Å; A233-I235 PolarHBondContact O-N 2.9Å; I235-I285 HydrophobicContact CG2-CG2 4.17Å; I235-F286 CarbonylContact C-O 3.52Å; I235-F286 WeakPolarHBondContact CA-O 3.46Å; I235-F287 HydrophobicContact CG1-CB 4.49Å; I235-F292 HydrophobicContact CD1-CD2 4.47Å; I235-F292 HydrophobicContact CD1-CE1 4.29Å; I235-F292 HydrophobicContact CD1-CE2 3.87Å; I235-F292 HydrophobicContact CD1-CZ 3.77Å; I235-F292 HydrophobicContact CG1-CD2 4.22Å; I235-F292 HydrophobicContact CG1-CE2 3.69Å; I235-F292 HydrophobicContact CG1-CZ 4.12Å; I235-L332 HydrophobicContact CD1-CD1 4.04Å; I235-V357 HydrophobicContact CD1-CG2 3.75Å; I235-V357 HydrophobicContact CG2-CG1 3.88Å; I235-V357 HydrophobicContact CG2-CG2 4.14Å
236	I	98.9	Very high	97.5	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	119.1	-178.9	-55.5	157.6	0	0	0	108.6	M192 I228 A233 L238 L254 Y259 I285 F286	M192-I236 HydrophobicContact CB-CG1 4.37Å; M192-I236 HydrophobicContact CB-CG2 4.34Å; M192-I236 HydrophobicContact CG-CG2 4.42Å; M192-I236 HydrophobicContact SD-CG2 4.02Å; I228-I236 HydrophobicContact CG2-CD1 3.66Å; I228-I236 HydrophobicContact CG2-CG2 4.44Å; A233-I236 HydrophobicContact CB-CG1 3.99Å; I236-L238 HydrophobicContact CG2-CD1 4.49Å; I236-L238 HydrophobicContact CG2-CD2 3.54Å; I236-L238 HydrophobicContact CG2-CG 3.83Å; I236-L254 HydrophobicContact CD1-CD1 4.45Å; I236-L254 HydrophobicContact CD1-CD2 4.25Å; I236-Y259 HydrophobicContact CD1-CD1 4.03Å; I236-Y259 HydrophobicContact CD1-CE1 3.45Å; I236-Y259 VanDerWaalsContact CD1-CE1 3.45Å; I236-Y259 HydrophobicContact CG1-CE1 4.14Å; I236-I285 CarbonylContact O-C 3.59Å; I236-I285 VanDerWaalsContact O-CA 3.3Å; I236-I285 WeakPolarHBondContact O-CA 3.39Å; I236-F286 HydrophobicContact CB-CB 4.23Å; I236-F286 HydrophobicContact CB-CD2 4.49Å; I236-F286 HydrophobicContact CD1-CB 4.46Å; I236-F286 PolarHBondContact N-O 2.64Å; I236-F286 PolarHBondContact O-N 3.42Å
237	S	98.9	Very high	97.6	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	114.8	173.7	-68.8	0	0	0	0	109.4	M192 C193 Y194 A284 C410	M192-S237 PolarHBondContact O-N 2.84Å; C193-S237 CarbonylContact C-O 3.47Å; C193-S237 WeakPolarHBondContact CA-O 3.37Å; Y194-S237 PolarHBondContact N-O 2.84Å; S237-A284 WeakPolarHBondContact CA-O 3.26Å; S237-C410 WeakPolarHBondContact OG-CB 3.39Å; S237-C410 PolarHBondContact OG-SG 2.81Å; S237-C410 VanDerWaalsContact OG-SG 3.4Å
238	L	98.9	Very high	97.7	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	140.9	179.2	-56.3	-175.8	0	0	0	111.6	Y194 V196 I228 I236 V241 F250 C283 A284 F286 N359	Y194-L238 HydrophobicContact CD1-CD2 4.39Å; Y194-L238 VanDerWaalsContact O-CA 3.29Å; Y194-L238 WeakPolarHBondContact O-CA 3.4Å; V196-L238 HydrophobicContact CG1-CD1 4.36Å; V196-L238 HydrophobicContact CG1-CD2 4.1Å; I228-L238 HydrophobicContact CD1-CD1 3.93Å; I228-L238 HydrophobicContact CD1-CD2 4.21Å; I236-L238 HydrophobicContact CG2-CD1 4.49Å; I236-L238 HydrophobicContact CG2-CD2 3.54Å; I236-L238 HydrophobicContact CG2-CG 3.83Å; L238-V241 HydrophobicContact CB-CG2 3.44Å; L238-V241 VanDerWaalsContact CB-CG2 3.44Å; L238-V241 HydrophobicContact CD1-CG2 4.1Å; L238-V241 HydrophobicContact CG-CG2 4.43Å; L238-F250 HydrophobicContact CD1-CD1 3.94Å; L238-F250 HydrophobicContact CD1-CE1 3.94Å; L238-C283 WeakPolarHBondContact O-CA 3.21Å; L238-A284 HydrophobicContact CB-CB 4.47Å; L238-A284 PolarHBondContact N-O 2.99Å; L238-A284 PolarHBondContact O-N 2.72Å; L238-F286 HydrophobicContact CD1-CD2 4.44Å; L238-F286 HydrophobicContact CD1-CE2 3.91Å; L238-F286 HydrophobicContact CG-CE2 4.4Å; L238-N359 PolarHBondContact N-ND2 2.85Å; L238-N359 PolarHBondContact O-ND2 3.42Å
239	Q	98.8	Very high	97.7	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	160.4	168.4	-54.5	79.4	24.5	0	0	109.7	C193 Y194 N195 V196 V241 N359 H361 D412	C193-Q239 PolarHBondContact SG-NE2 3.03Å; C193-Q239 VanDerWaalsContact SG-NE2 3.37Å; Y194-Q239 PolarHBondContact O-N 2.95Å; Y194-Q239 VanDerWaalsContact O-N 3.13Å; Y194-Q239 PolarHBondContact O-OE1 3.32Å; N195-Q239 HydrophobicContact CB-CB 4.13Å; N195-Q239 VanDerWaalsContact N-OE1 3.09Å; V196-Q239 WeakPolarHBondContact CG2-O 3.5Å; V196-Q239 PolarHBondContact N-O 3.4Å; Q239-V241 VanDerWaalsContact C-N 3.29Å; Q239-V241 PolarHBondContact O-N 2.91Å; Q239-N359 PolarHBondContact NE2-OD1 3Å; Q239-H361 HydrophobicContact CB-CB 4.23Å; Q239-H361 HydrophobicContact CG-CB 4.11Å; Q239-D412 HydrophobicContact CG-CB 4.15Å
240	E	98.4	Very high	97.8	Very high	16 Å²	16	27.4 Å²	27.4	8%	0.075	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	58.7	35.8	-176.8	-61.7	-163.4	-164.9	0	0	114.7	N195 L197 C198 Y201 E242 G282 H361	N195-E240 PolarHBondContact ND2-OE1 3.4Å; N195-E240 VanDerWaalsContact ND2-OE1 3.16Å; N195-E240 WeakPolarHBondContact OD1-CB 3.28Å; N195-E240 VanDerWaalsContact OD1-CD 3.22Å; N195-E240 WeakPolarHBondContact OD1-CG 3.34Å; L197-E240 WeakPolarHBondContact CA-OE2 3.49Å; C198-E240 HydrophobicContact CB-CB 4.07Å; C198-E240 WeakPolarHBondContact CB-O 3.1Å; C198-E240 PolarHBondContact N-OE2 2.74Å; C198-E240 PolarHBondContact SG-OE2 3.08Å; Y201-E240 WeakPolarHBondContact CD2-OE2 3.5Å; E240-E242 PolarHBondContact O-N 3.44Å; E240-G282 PolarHBondContact N-O 2.95Å; E240-H361 IonicContact OE1-CE1 3.72Å; E240-H361 PolarHBondContact OE1-CE1 3.15Å
241	V	98.5	Very high	98	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	115.6	173.6	-176.2	0	0	0	0	109.1	V196 L238 Q239 Y246 F250 F263 D281 G282 A284	V196-V241 HydrophobicContact CG2-CG2 4.48Å; L238-V241 HydrophobicContact CB-CG2 3.44Å; L238-V241 VanDerWaalsContact CB-CG2 3.44Å; L238-V241 HydrophobicContact CD1-CG2 4.1Å; L238-V241 HydrophobicContact CG-CG2 4.43Å; Q239-V241 VanDerWaalsContact C-N 3.29Å; Q239-V241 PolarHBondContact O-N 2.91Å; V241-Y246 HydrophobicContact CG1-CD2 4.35Å; V241-F250 HydrophobicContact CG1-CD2 3.73Å; V241-F250 HydrophobicContact CG1-CE2 3.94Å; V241-F263 HydrophobicContact CB-CD2 4.37Å; V241-F263 HydrophobicContact CB-CE2 4.08Å; V241-F263 HydrophobicContact CG1-CD2 4.41Å; V241-F263 HydrophobicContact CG1-CE2 4.27Å; V241-F263 VanDerWaalsContact O-CE2 3.22Å; V241-F263 WeakPolarHBondContact O-CE2 3.25Å; V241-D281 CarbonylContact O-C 3.56Å; V241-D281 VanDerWaalsContact O-CA 3.27Å; V241-D281 WeakPolarHBondContact O-CA 3.37Å; V241-G282 PolarHBondContact N-O 3.25Å; V241-G282 VanDerWaalsContact N-O 3.07Å; V241-G282 PolarHBondContact O-N 3.45Å; V241-A284 HydrophobicContact CG2-CB 4.15Å
242	E	97.9	Very high	98.3	Very high	9 Å²	9	26.6 Å²	26.6	4%	0.042	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	143.5	173.5	-68.7	-168.4	-166.4	0	0	111.9	C198 D199 K200 E240 E244 Q245 Y246 H279	C198-E242 HydrophobicContact CB-CG 3.75Å; D199-E242 WeakPolarHBondContact CB-OE1 3.35Å; D199-E242 PolarHBondContact N-OE1 3.16Å; K200-E242 PolarHBondContact N-OE1 3.5Å; K200-E242 VanDerWaalsContact N-OE1 3.16Å; E240-E242 PolarHBondContact O-N 3.44Å; E242-E244 PolarHBondContact O-N 2.81Å; E242-Q245 HydrophobicContact CB-CB 4.2Å; E242-Q245 HydrophobicContact CB-CG 3.96Å; E242-Q245 PolarHBondContact O-N 2.87Å; E242-Q245 VanDerWaalsContact O-N 3.16Å; E242-Y246 PolarHBondContact O-N 2.72Å; E242-H279 IonicContact OE2-ND1 2.73Å; E242-H279 PolarHBondContact OE2-ND1 3.31Å
243	T	97.8	Very high	98.4	Very high	19 Å²	19	25.7 Å²	25.7	12%	0.117	13%	0.129	C	C	.	.	H	α-helix	trans	-55.4	-49.4	-175.6	-64.1	0	0	0	0	112.6	Y246 Y247 F263 P265 R277 K278 V280	T243-Y246 PolarHBondContact O-N 3.08Å; T243-Y247 HydrophobicContact CG2-CD2 4.42Å; T243-Y247 HydrophobicContact CG2-CE2 4.17Å; T243-Y247 WeakPolarHBondContact O-CD2 3.45Å; T243-F263 HydrophobicContact CG2-CE1 4.16Å; T243-P265 WeakPolarHBondContact OG1-CB 3.33Å; T243-R277 WeakPolarHBondContact CB-O 3.47Å; T243-R277 PolarHBondContact OG1-O 2.87Å; T243-K278 WeakPolarHBondContact CB-O 3.3Å; T243-K278 PolarHBondContact N-O 3.02Å; T243-V280 PolarHBondContact N-O 2.89Å; T243-V280 PolarHBondContact OG1-O 3.37Å
244	E	97.3	Very high	98.4	Very high	69 Å²	69	25.8 Å²	25.8	32%	0.322	13%	0.129	S	C	.	.	H	α-helix	trans	-63.7	-45.3	178.7	-176.9	167.7	-126	0	0	111.2	E242 Y246 Y247 S248 K278	E242-E244 PolarHBondContact O-N 2.81Å; E244-Y246 VanDerWaalsContact C-N 3.3Å; E244-Y246 PolarHBondContact O-N 2.95Å; E244-Y247 PolarHBondContact O-N 3.47Å; E244-Y247 VanDerWaalsContact O-N 3.11Å; E244-S248 WeakPolarHBondContact O-CB 3.44Å; E244-S248 PolarHBondContact O-N 2.87Å; E244-S248 PolarHBondContact O-OG 2.91Å; E244-K278 HydrophobicContact CB-CB 4.02Å; E244-K278 HydrophobicContact CB-CG 4.46Å; E244-K278 PolarHBondContact N-O 2.94Å
245	Q	98.2	Very high	98.3	Very high	22 Å²	22	30.8 Å²	30.8	10%	0.103	15%	0.151	C	C	.	.	H	α-helix	trans	-65.4	-31.6	-178.2	-58.2	-53.6	-43.1	0	0	112.9	W217 E242 F249 F250	W217-Q245 HydrophobicContact CZ2-CB 3.95Å; W217-Q245 HydrophobicContact CZ2-CG 3.73Å; E242-Q245 HydrophobicContact CB-CB 4.2Å; E242-Q245 HydrophobicContact CB-CG 3.96Å; E242-Q245 PolarHBondContact O-N 2.87Å; E242-Q245 VanDerWaalsContact O-N 3.16Å; Q245-F249 WeakPolarHBondContact O-CA 3.47Å; Q245-F249 WeakPolarHBondContact O-CB 3.37Å; Q245-F249 PolarHBondContact O-N 2.91Å; Q245-F250 HydrophobicContact CB-CD2 4.25Å; Q245-F250 HydrophobicContact CB-CE2 4.19Å; Q245-F250 WeakPolarHBondContact O-CD2 3.5Å; Q245-F250 PolarHBondContact O-N 3.26Å
246	Y	98.6	Very high	98.3	Very high	8 Å²	8	38.1 Å²	38.1	3%	0.031	19%	0.185	C	C	.	.	I	π-helix	trans	-56.8	-51.3	171.3	174.8	-101.2	0	0	0	111.1	V241 E242 T243 E244 L251 G261 F262 F263 A284 F286	V241-Y246 HydrophobicContact CG1-CD2 4.35Å; E242-Y246 PolarHBondContact O-N 2.72Å; T243-Y246 PolarHBondContact O-N 3.08Å; E244-Y246 VanDerWaalsContact C-N 3.3Å; E244-Y246 PolarHBondContact O-N 2.95Å; Y246-L251 HydrophobicContact CE1-CB 4.46Å; Y246-L251 HydrophobicContact CE1-CD2 3.98Å; Y246-L251 HydrophobicContact CE2-CB 4.49Å; Y246-L251 WeakPolarHBondContact O-CB 3.45Å; Y246-L251 PolarHBondContact O-N 3.31Å; Y246-G261 PolarHBondContact OH-O 3.01Å; Y246-F262 PolarHBondContact OH-N 3.44Å; Y246-F263 HydrophobicContact CD1-CB 3.6Å; Y246-F263 AromaticContact CD1-CD1 3.76Å; Y246-F263 HydrophobicContact CD1-CD1 3.76Å; Y246-F263 AromaticContact CD1-CG 3.8Å; Y246-F263 HydrophobicContact CD1-CG 3.8Å; Y246-F263 HydrophobicContact CD2-CB 3.44Å; Y246-F263 VanDerWaalsContact CD2-CB 3.44Å; Y246-F263 HydrophobicContact CD2-CD2 4.14Å; Y246-F263 AromaticContact CD2-CG 3.8Å; Y246-F263 HydrophobicContact CD2-CG 3.8Å; Y246-F263 HydrophobicContact CE1-CB 3.49Å; Y246-F263 VanDerWaalsContact CE1-CB 3.49Å; Y246-F263 HydrophobicContact CE1-CD1 4.35Å; Y246-F263 HydrophobicContact CE1-CG 4.21Å; Y246-F263 HydrophobicContact CE2-CB 3.33Å; Y246-F263 HydrophobicContact CE2-CG 4.21Å; Y246-F263 HydrophobicContact CG-CB 3.56Å; Y246-F263 AromaticContact CG-CD1 3.85Å; Y246-F263 HydrophobicContact CG-CD1 3.85Å; Y246-F263 HydrophobicContact CG-CD2 4.12Å; Y246-F263 AromaticContact CG-CG 3.57Å; Y246-F263 HydrophobicContact CG-CG 3.57Å; Y246-A284 HydrophobicContact CD2-CB 4.09Å; Y246-A284 HydrophobicContact CE2-CB 4.1Å; Y246-F286 HydrophobicContact CD2-CE1 4.36Å; Y246-F286 AromaticContact CD2-CZ 3.74Å; Y246-F286 HydrophobicContact CD2-CZ 3.74Å; Y246-F286 AromaticContact CE2-CE1 3.68Å; Y246-F286 HydrophobicContact CE2-CE1 3.68Å; Y246-F286 HydrophobicContact CE2-CE2 4.34Å; Y246-F286 AromaticContact CE2-CZ 3.42Å; Y246-F286 HydrophobicContact CE2-CZ 3.42Å; Y246-F286 VanDerWaalsContact CE2-CZ 3.42Å
247	Y	98.3	Very high	98.2	Very high	137 Å²	137	45.7 Å²	45.7	54%	0.537	21%	0.214	S	C	.	.	I	π-helix	trans	-79.4	-36.9	-174.1	-68	-69.3	0	0	0	113.5	T243 E244 L251 V252 F263	T243-Y247 HydrophobicContact CG2-CD2 4.42Å; T243-Y247 HydrophobicContact CG2-CE2 4.17Å; T243-Y247 WeakPolarHBondContact O-CD2 3.45Å; E244-Y247 PolarHBondContact O-N 3.47Å; E244-Y247 VanDerWaalsContact O-N 3.11Å; Y247-L251 HydrophobicContact CD1-CD2 4.44Å; Y247-V252 WeakPolarHBondContact O-CG2 3.47Å; Y247-F263 HydrophobicContact CE2-CD1 4.44Å
248	S	97.7	Very high	98.1	Very high	71 Å²	71	47.1 Å²	47.1	50%	0.497	23%	0.229	S	C	.	.	I	π-helix	trans	-91	-19.3	-174.4	68.6	0	0	0	0	114.1	E244	E244-S248 WeakPolarHBondContact O-CB 3.44Å; E244-S248 PolarHBondContact O-N 2.87Å; E244-S248 PolarHBondContact O-OG 2.91Å
249	F	98.3	Very high	98.1	Very high	21 Å²	21	47.5 Å²	47.5	9%	0.092	23%	0.23	C	C	.	.	I	π-helix	trans	-128.2	-71.9	-174.1	179.5	-118.2	0	0	0	112	W217 K221 M225 Q245 L251 V252 E253	W217-F249 HydrophobicContact CZ2-CD1 4.26Å; K221-F249 HydrophobicContact CB-CD1 4.34Å; K221-F249 HydrophobicContact CB-CE1 3.71Å; K221-F249 HydrophobicContact CB-CZ 3.98Å; K221-F249 HydrophobicContact CD-CE1 4.49Å; K221-F249 HydrophobicContact CD-CZ 4.43Å; K221-F249 HydrophobicContact CG-CE1 4.2Å; K221-F249 HydrophobicContact CG-CE2 4.46Å; K221-F249 HydrophobicContact CG-CZ 4.02Å; K221-F249 WeakPolarHBondContact O-CZ 3.36Å; M225-F249 HydrophobicContact CB-CE1 4.34Å; M225-F249 HydrophobicContact CB-CZ 3.81Å; M225-F249 HydrophobicContact CE-CD1 4.4Å; M225-F249 HydrophobicContact CE-CE1 3.87Å; M225-F249 HydrophobicContact CE-CZ 3.95Å; M225-F249 HydrophobicContact CG-CZ 4.34Å; Q245-F249 WeakPolarHBondContact O-CA 3.47Å; Q245-F249 WeakPolarHBondContact O-CB 3.37Å; Q245-F249 PolarHBondContact O-N 2.91Å; F249-L251 PolarHBondContact O-N 3.03Å; F249-V252 PolarHBondContact O-N 2.8Å; F249-V252 VanDerWaalsContact O-N 3.16Å; F249-E253 HydrophobicContact CD2-CG 3.86Å; F249-E253 HydrophobicContact CE2-CG 3.79Å; F249-E253 WeakPolarHBondContact O-CG 3.49Å; F249-E253 PolarHBondContact O-N 2.78Å
250	F	98.6	Very high	98.1	Very high	1 Å²	1	50.6 Å²	50.6	0%	0.004	25%	0.247	C	C	.	.	I	π-helix	trans	-59	-48.5	-170.9	-71.3	-77.2	0	0	0	113.1	V196 W217 I224 M225 I228 L238 V241 Q245 V252 L254 F286	V196-F250 HydrophobicContact CG2-CZ 4.22Å; W217-F250 AromaticContact CH2-CE2 3.91Å; W217-F250 HydrophobicContact CH2-CE2 3.91Å; W217-F250 AromaticContact CH2-CZ 3.86Å; W217-F250 HydrophobicContact CH2-CZ 3.86Å; W217-F250 HydrophobicContact CZ2-CE2 4.12Å; W217-F250 HydrophobicContact CZ2-CZ 4.4Å; I224-F250 HydrophobicContact CG2-CE1 3.96Å; I224-F250 HydrophobicContact CG2-CZ 4.19Å; M225-F250 HydrophobicContact CE-CD1 3.78Å; M225-F250 HydrophobicContact CE-CE1 4.36Å; I228-F250 HydrophobicContact CD1-CD1 4.24Å; I228-F250 HydrophobicContact CD1-CE1 3.89Å; L238-F250 HydrophobicContact CD1-CD1 3.94Å; L238-F250 HydrophobicContact CD1-CE1 3.94Å; V241-F250 HydrophobicContact CG1-CD2 3.73Å; V241-F250 HydrophobicContact CG1-CE2 3.94Å; Q245-F250 HydrophobicContact CB-CD2 4.25Å; Q245-F250 HydrophobicContact CB-CE2 4.19Å; Q245-F250 WeakPolarHBondContact O-CD2 3.5Å; Q245-F250 PolarHBondContact O-N 3.26Å; F250-V252 VanDerWaalsContact C-N 3.32Å; F250-V252 PolarHBondContact O-N 2.94Å; F250-L254 VanDerWaalsContact O-CB 3.23Å; F250-L254 WeakPolarHBondContact O-CB 3.18Å; F250-L254 VanDerWaalsContact O-CG 3.26Å; F250-L254 WeakPolarHBondContact O-CG 3.42Å; F250-L254 PolarHBondContact O-N 3.01Å; F250-F286 HydrophobicContact CB-CZ 3.82Å
251	L	98.4	Very high	98.1	Very high	19 Å²	19	50.5 Å²	50.5	10%	0.099	25%	0.25	C	C	.	.	H	α-helix	trans	-68.1	-33	-179.2	-175.1	63.1	0	0	0	112.4	Y246 Y247 F249 K255 F286	Y246-L251 HydrophobicContact CE1-CB 4.46Å; Y246-L251 HydrophobicContact CE1-CD2 3.98Å; Y246-L251 HydrophobicContact CE2-CB 4.49Å; Y246-L251 WeakPolarHBondContact O-CB 3.45Å; Y246-L251 PolarHBondContact O-N 3.31Å; Y247-L251 HydrophobicContact CD1-CD2 4.44Å; F249-L251 PolarHBondContact O-N 3.03Å; L251-K255 HydrophobicContact CD1-CD 4.23Å; L251-K255 HydrophobicContact CD1-CG 4.2Å; L251-K255 HydrophobicContact CG-CD 4.08Å; L251-K255 HydrophobicContact CG-CG 4.45Å; L251-K255 WeakPolarHBondContact O-CB 3.26Å; L251-K255 WeakPolarHBondContact O-CD 2.94Å; L251-K255 WeakPolarHBondContact O-CG 3.12Å; L251-K255 PolarHBondContact O-N 3.48Å; L251-K255 VanDerWaalsContact O-N 3.08Å; L251-F286 HydrophobicContact CB-CE1 4.45Å; L251-F286 HydrophobicContact CD1-CE1 4.08Å
252	V	98.3	Very high	98.1	Very high	67 Å²	67	51.5 Å²	51.5	41%	0.406	25%	0.254	S	S	.	.	H	α-helix	trans	-68.7	-56.9	179.5	178	0	0	0	0	109.5	Y247 F249 F250 L254 K255 E256	Y247-V252 WeakPolarHBondContact O-CG2 3.47Å; F249-V252 PolarHBondContact O-N 2.8Å; F249-V252 VanDerWaalsContact O-N 3.16Å; F250-V252 VanDerWaalsContact C-N 3.32Å; F250-V252 PolarHBondContact O-N 2.94Å; V252-L254 PolarHBondContact O-N 2.95Å; V252-K255 PolarHBondContact O-N 2.94Å; V252-E256 PolarHBondContact O-N 2.77Å
253	E	98	Very high	98.1	Very high	73 Å²	73	51.7 Å²	51.7	34%	0.341	26%	0.255	S	S	.	.	H	α-helix	trans	-60.4	-43	-178.4	-65.5	-70.8	156.8	0	0	112.1	M225 F249 E256	M225-E253 HydrophobicContact CE-CB 3.65Å; M225-E253 HydrophobicContact CE-CG 4.09Å; M225-E253 HydrophobicContact CG-CB 4.49Å; M225-E253 HydrophobicContact SD-CB 4.04Å; F249-E253 HydrophobicContact CD2-CG 3.86Å; F249-E253 HydrophobicContact CE2-CG 3.79Å; F249-E253 WeakPolarHBondContact O-CG 3.49Å; F249-E253 PolarHBondContact O-N 2.78Å; E253-E256 PolarHBondContact O-N 3.38Å
254	L	98.4	Very high	98.2	Very high	1 Å²	1	51.4 Å²	51.4	1%	0.005	25%	0.254	C	S	.	.	H	α-helix	trans	-74.6	-29	-179.4	-66.7	173.9	0	0	0	112.4	M225 I228 L229 I236 F250 V252 E256 R257 G258 Y259 F286	M225-L254 HydrophobicContact CE-CG 4.44Å; M225-L254 HydrophobicContact SD-CD2 4.13Å; M225-L254 HydrophobicContact SD-CG 4.39Å; I228-L254 HydrophobicContact CG2-CD2 3.92Å; L229-L254 HydrophobicContact CD2-CD2 4.05Å; I236-L254 HydrophobicContact CD1-CD1 4.45Å; I236-L254 HydrophobicContact CD1-CD2 4.25Å; F250-L254 VanDerWaalsContact O-CB 3.23Å; F250-L254 WeakPolarHBondContact O-CB 3.18Å; F250-L254 VanDerWaalsContact O-CG 3.26Å; F250-L254 WeakPolarHBondContact O-CG 3.42Å; F250-L254 PolarHBondContact O-N 3.01Å; V252-L254 PolarHBondContact O-N 2.95Å; L254-E256 VanDerWaalsContact C-N 3.32Å; L254-E256 PolarHBondContact O-N 3.35Å; L254-R257 CarbonylContact O-C 3.41Å; L254-R257 WeakPolarHBondContact O-CA 3.45Å; L254-R257 PolarHBondContact O-N 3.12Å; L254-G258 PolarHBondContact O-N 3.49Å; L254-Y259 HydrophobicContact CB-CD2 4.24Å; L254-Y259 HydrophobicContact CB-CG 4.23Å; L254-Y259 HydrophobicContact CD2-CD2 4.26Å; L254-Y259 HydrophobicContact CD2-CE2 4.42Å; L254-Y259 WeakPolarHBondContact O-CB 3.37Å; L254-Y259 VanDerWaalsContact O-CD2 3.32Å; L254-Y259 WeakPolarHBondContact O-CD2 3.29Å; L254-Y259 PolarHBondContact O-N 3.43Å; L254-F286 HydrophobicContact CB-CD1 4.3Å; L254-F286 HydrophobicContact CD1-CB 4.26Å; L254-F286 HydrophobicContact CD1-CD1 3.61Å; L254-F286 HydrophobicContact CD1-CD2 3.73Å; L254-F286 HydrophobicContact CD1-CE1 3.76Å; L254-F286 HydrophobicContact CD1-CE2 3.88Å; L254-F286 HydrophobicContact CD1-CG 3.59Å; L254-F286 HydrophobicContact CD1-CZ 3.88Å
255	K	98.1	Very high	98.2	Very high	114 Å²	114	49.8 Å²	49.8	50%	0.496	25%	0.249	S	C	.	.	H	α-helix	trans	-63	-38.7	172.9	-88	176.5	176.6	176.9	0	112.3	L251 V252 R257 G258 Y259	L251-K255 HydrophobicContact CD1-CD 4.23Å; L251-K255 HydrophobicContact CD1-CG 4.2Å; L251-K255 HydrophobicContact CG-CD 4.08Å; L251-K255 HydrophobicContact CG-CG 4.45Å; L251-K255 WeakPolarHBondContact O-CB 3.26Å; L251-K255 WeakPolarHBondContact O-CD 2.94Å; L251-K255 WeakPolarHBondContact O-CG 3.12Å; L251-K255 PolarHBondContact O-N 3.48Å; L251-K255 VanDerWaalsContact O-N 3.08Å; V252-K255 PolarHBondContact O-N 2.94Å; K255-R257 PolarHBondContact O-N 3.1Å; K255-G258 PolarHBondContact O-N 3.02Å; K255-Y259 WeakPolarHBondContact CA-O 3.24Å; K255-Y259 WeakPolarHBondContact CG-O 3.45Å
256	E	97.3	Very high	98.1	Very high	154 Å²	154	49.2 Å²	49.2	72%	0.72	25%	0.246	S	C	*	.	H	α-helix	trans	-61.4	-23.4	174.7	-64.8	-173	172.2	0	0	112.4	V252 E253 L254	V252-E256 PolarHBondContact O-N 2.77Å; E253-E256 PolarHBondContact O-N 3.38Å; L254-E256 VanDerWaalsContact C-N 3.32Å; L254-E256 PolarHBondContact O-N 3.35Å
257	R	97.3	Very high	97.6	Very high	158 Å²	158	49.2 Å²	49.2	60%	0.596	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.4	12.6	176.8	-59.4	-68.9	-170	143.2	2.2	113.8	L229 L254 K255 Y259	L229-R257 HydrophobicContact CD2-CB 4.49Å; L229-R257 HydrophobicContact CD2-CG 3.8Å; L254-R257 CarbonylContact O-C 3.41Å; L254-R257 WeakPolarHBondContact O-CA 3.45Å; L254-R257 PolarHBondContact O-N 3.12Å; K255-R257 PolarHBondContact O-N 3.1Å; R257-Y259 HydrophobicContact CB-CD2 3.88Å; R257-Y259 HydrophobicContact CB-CE2 3.93Å; R257-Y259 WeakPolarHBondContact O-CD2 3.42Å
258	G	97.9	Very high	97.2	Very high	31 Å²	31	44.9 Å²	44.9	32%	0.32	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.2	19.3	175.4	0	0	0	0	0	114.9	L254 K255 T289	L254-G258 PolarHBondContact O-N 3.49Å; K255-G258 PolarHBondContact O-N 3.02Å; G258-T289 PolarHBondContact O-N 3.04Å; G258-T289 PolarHBondContact O-OG1 2.84Å; G258-T289 VanDerWaalsContact O-OG1 3.12Å
259	Y	98.7	Very high	96.6	Very high	8 Å²	8	41.8 Å²	41.8	3%	0.031	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	151.7	173.9	-64.7	-102.3	0	0	0	111.9	A233 I236 L254 K255 R257 F286 F287 K288	A233-Y259 WeakPolarHBondContact O-CE1 3.31Å; A233-Y259 VanDerWaalsContact O-CZ 3.26Å; A233-Y259 PolarHBondContact O-OH 3.06Å; I236-Y259 HydrophobicContact CD1-CD1 4.03Å; I236-Y259 HydrophobicContact CD1-CE1 3.45Å; I236-Y259 VanDerWaalsContact CD1-CE1 3.45Å; I236-Y259 HydrophobicContact CG1-CE1 4.14Å; L254-Y259 HydrophobicContact CB-CD2 4.24Å; L254-Y259 HydrophobicContact CB-CG 4.23Å; L254-Y259 HydrophobicContact CD2-CD2 4.26Å; L254-Y259 HydrophobicContact CD2-CE2 4.42Å; L254-Y259 WeakPolarHBondContact O-CB 3.37Å; L254-Y259 VanDerWaalsContact O-CD2 3.32Å; L254-Y259 WeakPolarHBondContact O-CD2 3.29Å; L254-Y259 PolarHBondContact O-N 3.43Å; K255-Y259 WeakPolarHBondContact CA-O 3.24Å; K255-Y259 WeakPolarHBondContact CG-O 3.45Å; R257-Y259 HydrophobicContact CB-CD2 3.88Å; R257-Y259 HydrophobicContact CB-CE2 3.93Å; R257-Y259 WeakPolarHBondContact O-CD2 3.42Å; Y259-F286 HydrophobicContact CD1-CB 4Å; Y259-F287 WeakPolarHBondContact CA-O 3.26Å; Y259-K288 HydrophobicContact CD1-CG 3.99Å; Y259-K288 HydrophobicContact CD2-CG 4.48Å; Y259-K288 HydrophobicContact CE1-CG 3.57Å; Y259-K288 HydrophobicContact CE2-CG 4.12Å; Y259-K288 HydrophobicContact CG-CG 4.43Å; Y259-K288 WeakPolarHBondContact OH-CE 3.4Å
260	N	98.4	Very high	96	Very high	65 Å²	65	49.1 Å²	49.1	35%	0.348	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	166.5	155.7	-161.7	-2.8	0	0	0	108.3	F286 F287 T289	N260-F286 CarbonylContact O-C 3.44Å; N260-F286 VanDerWaalsContact O-CA 3.23Å; N260-F286 WeakPolarHBondContact O-CA 3.14Å; N260-F287 HydrophobicContact CB-CE2 3.95Å; N260-F287 HydrophobicContact CB-CZ 3.97Å; N260-F287 PolarHBondContact N-O 3.19Å; N260-F287 PolarHBondContact O-N 3.23Å; N260-T289 HydrophobicContact CB-CG2 3.56Å
261	G	98.1	Very high	95.5	Very high	13 Å²	13	55.1 Å²	55.1	13%	0.134	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	163.9	-177.3	0	0	0	0	0	114.5	Y246 I285	Y246-G261 PolarHBondContact OH-O 3.01Å; G261-I285 CarbonylContact C-O 3.59Å; G261-I285 WeakPolarHBondContact CA-O 3.21Å
262	F	98.8	Very high	95.1	Very high	22 Å²	22	57 Å²	57	10%	0.096	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	138.4	170.7	174.3	-122.2	0	0	0	109.3	Y246 A284 I285 K297 V328 V330	Y246-F262 PolarHBondContact OH-N 3.44Å; F262-A284 CarbonylContact O-C 3.55Å; F262-A284 VanDerWaalsContact O-CA 3.25Å; F262-A284 WeakPolarHBondContact O-CA 3.36Å; F262-I285 PolarHBondContact N-O 3.37Å; F262-I285 PolarHBondContact O-N 3.31Å; F262-K297 HydrophobicContact CD1-CB 3.97Å; F262-K297 HydrophobicContact CD2-CB 4.01Å; F262-K297 HydrophobicContact CD2-CD 3.61Å; F262-K297 HydrophobicContact CD2-CG 4.19Å; F262-K297 HydrophobicContact CE1-CB 4.02Å; F262-K297 HydrophobicContact CE2-CB 4.07Å; F262-K297 HydrophobicContact CE2-CD 3.73Å; F262-K297 HydrophobicContact CE2-CG 4.02Å; F262-K297 HydrophobicContact CG-CB 3.94Å; F262-K297 HydrophobicContact CG-CD 4.29Å; F262-K297 HydrophobicContact CZ-CB 4.07Å; F262-K297 HydrophobicContact CZ-CD 4.49Å; F262-K297 HydrophobicContact CZ-CG 4.31Å; F262-V328 HydrophobicContact CD1-CB 4.13Å; F262-V328 HydrophobicContact CD1-CG1 4.47Å; F262-V328 HydrophobicContact CE1-CB 3.8Å; F262-V328 HydrophobicContact CE1-CG1 3.88Å; F262-V330 HydrophobicContact CB-CG1 3.81Å; F262-V330 HydrophobicContact CD1-CG1 3.73Å; F262-V330 HydrophobicContact CG-CG1 4.12Å
263	F	98.7	Very high	94.9	Very high	12 Å²	12	56.7 Å²	56.7	5%	0.053	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	146.8	179.3	166.1	-102.1	0	0	0	110.5	V241 T243 Y246 Y247 P265 C283 A284	V241-F263 HydrophobicContact CB-CD2 4.37Å; V241-F263 HydrophobicContact CB-CE2 4.08Å; V241-F263 HydrophobicContact CG1-CD2 4.41Å; V241-F263 HydrophobicContact CG1-CE2 4.27Å; V241-F263 VanDerWaalsContact O-CE2 3.22Å; V241-F263 WeakPolarHBondContact O-CE2 3.25Å; T243-F263 HydrophobicContact CG2-CE1 4.16Å; Y246-F263 HydrophobicContact CD1-CB 3.6Å; Y246-F263 AromaticContact CD1-CD1 3.76Å; Y246-F263 HydrophobicContact CD1-CD1 3.76Å; Y246-F263 AromaticContact CD1-CG 3.8Å; Y246-F263 HydrophobicContact CD1-CG 3.8Å; Y246-F263 HydrophobicContact CD2-CB 3.44Å; Y246-F263 VanDerWaalsContact CD2-CB 3.44Å; Y246-F263 HydrophobicContact CD2-CD2 4.14Å; Y246-F263 AromaticContact CD2-CG 3.8Å; Y246-F263 HydrophobicContact CD2-CG 3.8Å; Y246-F263 HydrophobicContact CE1-CB 3.49Å; Y246-F263 VanDerWaalsContact CE1-CB 3.49Å; Y246-F263 HydrophobicContact CE1-CD1 4.35Å; Y246-F263 HydrophobicContact CE1-CG 4.21Å; Y246-F263 HydrophobicContact CE2-CB 3.33Å; Y246-F263 HydrophobicContact CE2-CG 4.21Å; Y246-F263 HydrophobicContact CG-CB 3.56Å; Y246-F263 AromaticContact CG-CD1 3.85Å; Y246-F263 HydrophobicContact CG-CD1 3.85Å; Y246-F263 HydrophobicContact CG-CD2 4.12Å; Y246-F263 AromaticContact CG-CG 3.57Å; Y246-F263 HydrophobicContact CG-CG 3.57Å; Y247-F263 HydrophobicContact CE2-CD1 4.44Å; F263-P265 HydrophobicContact CE1-CB 4.15Å; F263-P265 HydrophobicContact CE1-CG 4.34Å; F263-P265 HydrophobicContact CZ-CB 3.97Å; F263-C283 WeakPolarHBondContact CA-O 3.23Å; F263-C283 WeakPolarHBondContact CD2-O 3.37Å; F263-A284 HydrophobicContact CB-CB 4.29Å; F263-A284 HydrophobicContact CD2-CB 4.13Å
264	S	98.4	Very high	94.5	Very high	14 Å²	14	59.7 Å²	59.7	10%	0.098	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	132.4	167.3	-165.9	0	0	0	0	109.5	G282 C283 T299 I326	S264-G282 WeakPolarHBondContact O-CA 3.35Å; S264-C283 PolarHBondContact N-O 3.07Å; S264-C283 VanDerWaalsContact N-O 3.16Å; S264-C283 PolarHBondContact O-N 3.34Å; S264-C283 VanDerWaalsContact O-N 3.16Å; S264-T299 VanDerWaalsContact CB-OG1 3.26Å; S264-T299 WeakPolarHBondContact CB-OG1 3.24Å; S264-T299 WeakPolarHBondContact OG-CG2 3.09Å; S264-T299 PolarHBondContact OG-OG1 3.19Å; S264-T299 VanDerWaalsContact OG-OG1 3.09Å; S264-I326 WeakPolarHBondContact O-CD1 3.44Å
265	P	97.6	Very high	94.1	Very high	34 Å²	34	65 Å²	65	22%	0.221	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	160.8	171	32.5	-34.2	0	0	0	111.3	T243 F263 A269 V280 I326	T243-P265 WeakPolarHBondContact OG1-CB 3.33Å; F263-P265 HydrophobicContact CE1-CB 4.15Å; F263-P265 HydrophobicContact CE1-CG 4.34Å; F263-P265 HydrophobicContact CZ-CB 3.97Å; P265-A269 HydrophobicContact CB-CB 3.94Å; P265-A269 HydrophobicContact CG-CB 3.82Å; P265-V280 HydrophobicContact CB-CB 4.48Å; P265-V280 HydrophobicContact CB-CG1 4.02Å; P265-I326 WeakPolarHBondContact O-CD1 3.4Å
266	K	95.5	Very high	93.7	Very high	10 Å²	10	64.4 Å²	64.4	4%	0.043	32%	0.321	C	S	.	.			trans	-55.7	150.1	170.3	-73.4	172.4	-177.6	163	0	111.7	R268 A269 V280 D281 D324 I326	K266-R268 PolarHBondContact O-N 2.88Å; K266-A269 WeakPolarHBondContact O-CB 3.48Å; K266-A269 PolarHBondContact O-N 3.41Å; K266-V280 HydrophobicContact CB-CG1 4.08Å; K266-D281 WeakPolarHBondContact CE-OD2 3.43Å; K266-D281 WeakPolarHBondContact CG-O 3.22Å; K266-D281 PolarHBondContact N-O 3.31Å; K266-D281 VanDerWaalsContact NZ-CG 3.3Å; K266-D281 IonicContact NZ-OD1 3.86Å; K266-D281 PolarHBondContact NZ-OD1 2.82Å; K266-D281 VanDerWaalsContact NZ-OD1 3.14Å; K266-D281 IonicContact NZ-OD2 3.21Å; K266-D281 PolarHBondContact NZ-OD2 3.17Å; K266-D324 WeakPolarHBondContact CB-O 3.5Å; K266-I326 HydrophobicContact CG-CG1 4.25Å
267	S	89.5	Confident	93.5	Very high	9 Å²	9	62.5 Å²	62.5	6%	0.063	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-58.5	-26.9	-168	-62.9	0	0	0	0	114.7	A269 R270 E301 D324	S267-A269 PolarHBondContact O-N 3.38Å; S267-A269 VanDerWaalsContact O-N 3.1Å; S267-R270 PolarHBondContact O-N 3.24Å; S267-E301 WeakPolarHBondContact CB-OE2 3.46Å; S267-E301 WeakPolarHBondContact OG-CG 3.26Å; S267-E301 PolarHBondContact OG-OE2 2.96Å; S267-D324 PolarHBondContact N-O 2.81Å
268	R	89.3	Confident	93.3	Very high	45 Å²	45	58.1 Å²	58.1	17%	0.17	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-57.1	-24.3	176.4	67.2	176.2	179.6	-90	-1	113.7	K266 R270 T271 M272 V280 D281 D324	K266-R268 PolarHBondContact O-N 2.88Å; R268-R270 PolarHBondContact O-N 2.67Å; R268-T271 PolarHBondContact O-N 2.77Å; R268-T271 VanDerWaalsContact O-N 3.12Å; R268-T271 PolarHBondContact O-OG1 3.4Å; R268-M272 HydrophobicContact CB-SD 4.44Å; R268-M272 HydrophobicContact CG-SD 4.11Å; R268-M272 WeakPolarHBondContact O-CG 3.34Å; R268-M272 PolarHBondContact O-N 2.95Å; R268-V280 HydrophobicContact CG-CG1 3.98Å; R268-V280 HydrophobicContact CG-CG2 4.27Å; R268-D281 IonicContact CZ-OD1 3.3Å; R268-D281 IonicContact NH2-OD1 3.62Å; R268-D281 PolarHBondContact NH2-OD1 3.13Å; R268-D324 HydrophobicContact CB-CB 4.48Å; R268-D324 WeakPolarHBondContact CB-OD2 3.33Å; R268-D324 WeakPolarHBondContact CD-OD2 3.44Å; R268-D324 WeakPolarHBondContact CG-OD2 3.49Å; R268-D324 IonicContact CZ-OD2 3.75Å; R268-D324 IonicContact NE-OD2 3.69Å; R268-D324 IonicContact NH1-OD1 2.73Å; R268-D324 IonicContact NH1-OD2 2.67Å; R268-D324 PolarHBondContact NH1-OD2 3.09Å
269	A	84.9	Confident	93.1	Very high	7 Å²	7	60.1 Å²	60.1	6%	0.058	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-53.4	-24.9	176.5	0	0	0	0	0	114	P265 K266 S267 R277 V280	P265-A269 HydrophobicContact CB-CB 3.94Å; P265-A269 HydrophobicContact CG-CB 3.82Å; K266-A269 WeakPolarHBondContact O-CB 3.48Å; K266-A269 PolarHBondContact O-N 3.41Å; S267-A269 PolarHBondContact O-N 3.38Å; S267-A269 VanDerWaalsContact O-N 3.1Å; A269-R277 HydrophobicContact CB-CG 3.92Å; A269-R277 VanDerWaalsContact O-CD 3.31Å; A269-R277 WeakPolarHBondContact O-CD 3.22Å; A269-V280 HydrophobicContact CB-CB 4.17Å; A269-V280 HydrophobicContact CB-CG1 3.97Å; A269-V280 HydrophobicContact CB-CG2 4.28Å
270	R	86.8	Confident	93	Very high	174 Å²	174	59.8 Å²	59.8	66%	0.657	29%	0.292	S	S	*	.	G	3₁₀ helix	trans	-74.7	-26	-178.2	-62.9	179.9	-179	-149.3	-1.8	113.9	S267 R268 E301	S267-R270 PolarHBondContact O-N 3.24Å; R268-R270 PolarHBondContact O-N 2.67Å; R270-E301 IonicContact CZ-OE1 3.14Å; R270-E301 IonicContact CZ-OE2 3.89Å; R270-E301 IonicContact NE-OE1 3.24Å; R270-E301 PolarHBondContact NE-OE1 2.77Å; R270-E301 IonicContact NE-OE2 3.91Å; R270-E301 IonicContact NH2-OE1 2.62Å; R270-E301 PolarHBondContact NH2-OE1 2.59Å; R270-E301 IonicContact NH2-OE2 3.94Å
271	T	87.1	Confident	92.9	Very high	128 Å²	128	56.8 Å²	56.8	79%	0.785	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.4	-5.6	-174.6	55.5	0	0	0	0	113.3	R268	R268-T271 PolarHBondContact O-N 2.77Å; R268-T271 VanDerWaalsContact O-N 3.12Å; R268-T271 PolarHBondContact O-OG1 3.4Å
272	M	90.7	Very high	92.9	Very high	59 Å²	59	56.1 Å²	56.1	29%	0.291	27%	0.269	S	S	.	.	S	Bend	trans	-89.2	162.8	-179.2	-66.5	-175.6	87.6	0	0	112.4	R268 E276 V280	R268-M272 HydrophobicContact CB-SD 4.44Å; R268-M272 HydrophobicContact CG-SD 4.11Å; R268-M272 WeakPolarHBondContact O-CG 3.34Å; R268-M272 PolarHBondContact O-N 2.95Å; M272-E276 HydrophobicContact CB-CB 4.24Å; M272-E276 HydrophobicContact CE-CB 3.55Å; M272-E276 HydrophobicContact CE-CG 4.18Å; M272-E276 HydrophobicContact SD-CB 4.49Å; M272-V280 HydrophobicContact SD-CG2 3.65Å
273	S	92.9	Very high	92.9	Very high	59 Å²	59	55.1 Å²	55.1	41%	0.413	27%	0.265	S	S	.	.			trans	-64.3	160.6	172.1	68.9	0	0	0	0	111.7	Q275 E276 R277	S273-Q275 VanDerWaalsContact C-N 3.27Å; S273-Q275 PolarHBondContact O-N 2.85Å; S273-E276 WeakPolarHBondContact CB-OE2 3.34Å; S273-E276 PolarHBondContact N-OE2 2.93Å; S273-E276 PolarHBondContact O-N 2.84Å; S273-E276 VanDerWaalsContact OG-CD 3.28Å; S273-E276 VanDerWaalsContact OG-CG 3.28Å; S273-E276 WeakPolarHBondContact OG-CG 3.47Å; S273-E276 PolarHBondContact OG-N 3.02Å; S273-E276 PolarHBondContact OG-OE2 3.28Å; S273-R277 VanDerWaalsContact O-CB 3.28Å; S273-R277 WeakPolarHBondContact O-CB 2.96Å; S273-R277 PolarHBondContact O-N 3.21Å
274	E	89.2	Confident	92.9	Very high	137 Å²	137	54.6 Å²	54.6	64%	0.64	26%	0.262	S	S	*	.	H	α-helix	trans	-58.8	-38	-179.9	-177.2	171.8	-164	0	0	112.8
275	Q	90.3	Very high	92.9	Very high	113 Å²	113	53.9 Å²	53.9	53%	0.528	26%	0.258	S	S	.	.	H	α-helix	trans	-70	-41.8	-179.9	-174.2	60.2	20.8	0	0	111.9	S273 K278 H279	S273-Q275 VanDerWaalsContact C-N 3.27Å; S273-Q275 PolarHBondContact O-N 2.85Å; Q275-K278 WeakPolarHBondContact O-CB 3.46Å; Q275-H279 PolarHBondContact O-CD2 3.1Å
276	E	90.6	Very high	93	Very high	101 Å²	101	52.3 Å²	52.3	47%	0.472	25%	0.247	S	C	.	.	H	α-helix	trans	-73.1	-33.1	179	-64.2	165.8	129.1	0	0	112.1	M272 S273 K278 H279 V280	M272-E276 HydrophobicContact CB-CB 4.24Å; M272-E276 HydrophobicContact CE-CB 3.55Å; M272-E276 HydrophobicContact CE-CG 4.18Å; M272-E276 HydrophobicContact SD-CB 4.49Å; S273-E276 WeakPolarHBondContact CB-OE2 3.34Å; S273-E276 PolarHBondContact N-OE2 2.93Å; S273-E276 PolarHBondContact O-N 2.84Å; S273-E276 VanDerWaalsContact OG-CD 3.28Å; S273-E276 VanDerWaalsContact OG-CG 3.28Å; S273-E276 WeakPolarHBondContact OG-CG 3.47Å; S273-E276 PolarHBondContact OG-N 3.02Å; S273-E276 PolarHBondContact OG-OE2 3.28Å; E276-K278 PolarHBondContact O-N 2.66Å; E276-H279 PolarHBondContact O-N 3.33Å; E276-V280 PolarHBondContact O-N 3.22Å
277	R	92.4	Very high	93.1	Very high	113 Å²	113	51.9 Å²	51.9	43%	0.426	25%	0.246	S	C	.	.	H	α-helix	trans	-57.7	-33.1	177.9	-175.1	177.3	64.7	176.6	-2.4	112.4	T243 A269 S273 H279 V280	T243-R277 WeakPolarHBondContact CB-O 3.47Å; T243-R277 PolarHBondContact OG1-O 2.87Å; A269-R277 HydrophobicContact CB-CG 3.92Å; A269-R277 VanDerWaalsContact O-CD 3.31Å; A269-R277 WeakPolarHBondContact O-CD 3.22Å; S273-R277 VanDerWaalsContact O-CB 3.28Å; S273-R277 WeakPolarHBondContact O-CB 2.96Å; S273-R277 PolarHBondContact O-N 3.21Å; R277-H279 PolarHBondContact O-N 2.92Å; R277-V280 PolarHBondContact O-N 3.04Å; R277-V280 VanDerWaalsContact O-N 3.12Å
278	K	93.1	Very high	93.6	Very high	67 Å²	67	52.2 Å²	52.2	29%	0.291	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-32.5	176.4	-72	175.5	-178.7	-179.6	0	113.1	T243 E244 Q275 E276	T243-K278 WeakPolarHBondContact CB-O 3.3Å; T243-K278 PolarHBondContact N-O 3.02Å; E244-K278 HydrophobicContact CB-CB 4.02Å; E244-K278 HydrophobicContact CB-CG 4.46Å; E244-K278 PolarHBondContact N-O 2.94Å; Q275-K278 WeakPolarHBondContact O-CB 3.46Å; E276-K278 PolarHBondContact O-N 2.66Å
279	H	93.8	Very high	94	Very high	73 Å²	73	52.8 Å²	52.8	34%	0.338	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.4	9	-178.8	-56.6	-64.4	0	0	0	113	E242 Q275 E276 R277 D281	E242-H279 IonicContact OE2-ND1 2.73Å; E242-H279 PolarHBondContact OE2-ND1 3.31Å; Q275-H279 PolarHBondContact O-CD2 3.1Å; E276-H279 PolarHBondContact O-N 3.33Å; R277-H279 PolarHBondContact O-N 2.92Å; H279-D281 PolarHBondContact O-N 2.85Å
280	V	96.3	Very high	94.5	Very high	1 Å²	1	58.7 Å²	58.7	1%	0.006	28%	0.281	C	S	.	.			trans	-78.7	122.5	171	178.8	0	0	0	0	108.3	T243 P265 K266 R268 A269 M272 E276 R277	T243-V280 PolarHBondContact N-O 2.89Å; T243-V280 PolarHBondContact OG1-O 3.37Å; P265-V280 HydrophobicContact CB-CB 4.48Å; P265-V280 HydrophobicContact CB-CG1 4.02Å; K266-V280 HydrophobicContact CB-CG1 4.08Å; R268-V280 HydrophobicContact CG-CG1 3.98Å; R268-V280 HydrophobicContact CG-CG2 4.27Å; A269-V280 HydrophobicContact CB-CB 4.17Å; A269-V280 HydrophobicContact CB-CG1 3.97Å; A269-V280 HydrophobicContact CB-CG2 4.28Å; M272-V280 HydrophobicContact SD-CG2 3.65Å; E276-V280 PolarHBondContact O-N 3.22Å; R277-V280 PolarHBondContact O-N 3.04Å; R277-V280 VanDerWaalsContact O-N 3.12Å
281	D	97.4	Very high	94.9	Very high	1 Å²	1	52.2 Å²	52.2	1%	0.005	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	163	176.5	77.2	-68	0	0	0	112.4	C198 V241 K266 R268 H279	C198-D281 HydrophobicContact CB-CB 4.17Å; V241-D281 CarbonylContact O-C 3.56Å; V241-D281 VanDerWaalsContact O-CA 3.27Å; V241-D281 WeakPolarHBondContact O-CA 3.37Å; K266-D281 WeakPolarHBondContact CE-OD2 3.43Å; K266-D281 WeakPolarHBondContact CG-O 3.22Å; K266-D281 PolarHBondContact N-O 3.31Å; K266-D281 VanDerWaalsContact NZ-CG 3.3Å; K266-D281 IonicContact NZ-OD1 3.86Å; K266-D281 PolarHBondContact NZ-OD1 2.82Å; K266-D281 VanDerWaalsContact NZ-OD1 3.14Å; K266-D281 IonicContact NZ-OD2 3.21Å; K266-D281 PolarHBondContact NZ-OD2 3.17Å; R268-D281 IonicContact CZ-OD1 3.3Å; R268-D281 IonicContact NH2-OD1 3.62Å; R268-D281 PolarHBondContact NH2-OD1 3.13Å; H279-D281 PolarHBondContact O-N 2.85Å
282	G	98	Very high	95.3	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.5	-161.3	178.5	0	0	0	0	0	113.3	E240 V241 S264	E240-G282 PolarHBondContact N-O 2.95Å; V241-G282 PolarHBondContact N-O 3.25Å; V241-G282 VanDerWaalsContact N-O 3.07Å; V241-G282 PolarHBondContact O-N 3.45Å; S264-G282 WeakPolarHBondContact O-CA 3.35Å
283	C	98.7	Very high	95.6	Very high	1 Å²	1	46 Å²	46	1%	0.007	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	138.5	-178.5	-64.1	0	0	0	0	110.8	L238 F263 S264 V328	L238-C283 WeakPolarHBondContact O-CA 3.21Å; F263-C283 WeakPolarHBondContact CA-O 3.23Å; F263-C283 WeakPolarHBondContact CD2-O 3.37Å; S264-C283 PolarHBondContact N-O 3.07Å; S264-C283 VanDerWaalsContact N-O 3.16Å; S264-C283 PolarHBondContact O-N 3.34Å; S264-C283 VanDerWaalsContact O-N 3.16Å; C283-V328 HydrophobicContact CB-CG1 4.32Å; C283-V328 HydrophobicContact CB-CG2 3.7Å
284	A	98.9	Very high	95.9	Very high	0 Å²	0	46 Å²	46	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	146.2	174.3	0	0	0	0	0	111.3	S237 L238 V241 Y246 F262 F263 F286 N359	S237-A284 WeakPolarHBondContact CA-O 3.26Å; L238-A284 HydrophobicContact CB-CB 4.47Å; L238-A284 PolarHBondContact N-O 2.99Å; L238-A284 PolarHBondContact O-N 2.72Å; V241-A284 HydrophobicContact CG2-CB 4.15Å; Y246-A284 HydrophobicContact CD2-CB 4.09Å; Y246-A284 HydrophobicContact CE2-CB 4.1Å; F262-A284 CarbonylContact O-C 3.55Å; F262-A284 VanDerWaalsContact O-CA 3.25Å; F262-A284 WeakPolarHBondContact O-CA 3.36Å; F263-A284 HydrophobicContact CB-CB 4.29Å; F263-A284 HydrophobicContact CD2-CB 4.13Å; A284-F286 HydrophobicContact CB-CD2 4.35Å; A284-F286 HydrophobicContact CB-CE2 3.63Å; A284-F286 HydrophobicContact CB-CZ 4.14Å; A284-N359 PolarHBondContact O-ND2 2.57Å
285	I	98.9	Very high	96.2	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	124.1	167.2	-59.2	172.6	0	0	0	107.9	I235 I236 G261 F262 V328 V330 V357 N359	I235-I285 HydrophobicContact CG2-CG2 4.17Å; I236-I285 CarbonylContact O-C 3.59Å; I236-I285 VanDerWaalsContact O-CA 3.3Å; I236-I285 WeakPolarHBondContact O-CA 3.39Å; G261-I285 CarbonylContact C-O 3.59Å; G261-I285 WeakPolarHBondContact CA-O 3.21Å; F262-I285 PolarHBondContact N-O 3.37Å; F262-I285 PolarHBondContact O-N 3.31Å; I285-V328 HydrophobicContact CD1-CG2 3.9Å; I285-V328 HydrophobicContact CG1-CG2 3.97Å; I285-V330 HydrophobicContact CB-CG2 4.2Å; I285-V330 HydrophobicContact CD1-CG1 4.39Å; I285-V330 HydrophobicContact CD1-CG2 3.91Å; I285-V330 HydrophobicContact CG2-CG2 3.68Å; I285-V357 HydrophobicContact CD1-CB 4.5Å; I285-V357 HydrophobicContact CD1-CG1 4.14Å; I285-V357 WeakPolarHBondContact CD1-O 3.28Å; I285-V357 HydrophobicContact CG2-CG1 4.2Å; I285-N359 HydrophobicContact CD1-CB 3.73Å; I285-N359 HydrophobicContact CG1-CB 3.62Å
286	F	98.9	Very high	96.5	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	149.2	171	-55.9	-93.5	0	0	0	110.2	I235 I236 L238 Y246 F250 L251 L254 Y259 N260 A284	I235-F286 CarbonylContact C-O 3.52Å; I235-F286 WeakPolarHBondContact CA-O 3.46Å; I236-F286 HydrophobicContact CB-CB 4.23Å; I236-F286 HydrophobicContact CB-CD2 4.49Å; I236-F286 HydrophobicContact CD1-CB 4.46Å; I236-F286 PolarHBondContact N-O 2.64Å; I236-F286 PolarHBondContact O-N 3.42Å; L238-F286 HydrophobicContact CD1-CD2 4.44Å; L238-F286 HydrophobicContact CD1-CE2 3.91Å; L238-F286 HydrophobicContact CG-CE2 4.4Å; Y246-F286 HydrophobicContact CD2-CE1 4.36Å; Y246-F286 AromaticContact CD2-CZ 3.74Å; Y246-F286 HydrophobicContact CD2-CZ 3.74Å; Y246-F286 AromaticContact CE2-CE1 3.68Å; Y246-F286 HydrophobicContact CE2-CE1 3.68Å; Y246-F286 HydrophobicContact CE2-CE2 4.34Å; Y246-F286 AromaticContact CE2-CZ 3.42Å; Y246-F286 HydrophobicContact CE2-CZ 3.42Å; Y246-F286 VanDerWaalsContact CE2-CZ 3.42Å; F250-F286 HydrophobicContact CB-CZ 3.82Å; L251-F286 HydrophobicContact CB-CE1 4.45Å; L251-F286 HydrophobicContact CD1-CE1 4.08Å; L254-F286 HydrophobicContact CB-CD1 4.3Å; L254-F286 HydrophobicContact CD1-CB 4.26Å; L254-F286 HydrophobicContact CD1-CD1 3.61Å; L254-F286 HydrophobicContact CD1-CD2 3.73Å; L254-F286 HydrophobicContact CD1-CE1 3.76Å; L254-F286 HydrophobicContact CD1-CE2 3.88Å; L254-F286 HydrophobicContact CD1-CG 3.59Å; L254-F286 HydrophobicContact CD1-CZ 3.88Å; Y259-F286 HydrophobicContact CD1-CB 4Å; N260-F286 CarbonylContact O-C 3.44Å; N260-F286 VanDerWaalsContact O-CA 3.23Å; N260-F286 WeakPolarHBondContact O-CA 3.14Å; A284-F286 HydrophobicContact CB-CD2 4.35Å; A284-F286 HydrophobicContact CB-CE2 3.63Å; A284-F286 HydrophobicContact CB-CZ 4.14Å
287	F	98.7	Very high	96.8	Very high	2 Å²	2	41.4 Å²	41.4	1%	0.009	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	142.9	178.8	51.1	-88.2	0	0	0	110.4	D234 I235 Y259 N260 T289 F292 L294 L332	D234-F287 VanDerWaalsContact O-CA 3.32Å; D234-F287 WeakPolarHBondContact O-CA 3.28Å; I235-F287 HydrophobicContact CG1-CB 4.49Å; Y259-F287 WeakPolarHBondContact CA-O 3.26Å; N260-F287 HydrophobicContact CB-CE2 3.95Å; N260-F287 HydrophobicContact CB-CZ 3.97Å; N260-F287 PolarHBondContact N-O 3.19Å; N260-F287 PolarHBondContact O-N 3.23Å; F287-T289 PolarHBondContact O-N 2.93Å; F287-F292 HydrophobicContact CB-CB 4.37Å; F287-F292 HydrophobicContact CB-CD2 4.24Å; F287-F292 HydrophobicContact CD2-CB 4Å; F287-F292 HydrophobicContact CG-CB 4.49Å; F287-L294 HydrophobicContact CE1-CD1 4.26Å; F287-L294 HydrophobicContact CE2-CB 4.13Å; F287-L294 HydrophobicContact CZ-CB 3.69Å; F287-L294 HydrophobicContact CZ-CD1 4.22Å; F287-L294 HydrophobicContact CZ-CD2 4.29Å; F287-L294 HydrophobicContact CZ-CG 4.29Å; F287-L332 HydrophobicContact CB-CD1 3.99Å; F287-L332 HydrophobicContact CD1-CD1 4.37Å; F287-L332 HydrophobicContact CD1-CD2 3.82Å; F287-L332 HydrophobicContact CD2-CD2 4.04Å; F287-L332 HydrophobicContact CE1-CD2 3.99Å; F287-L332 HydrophobicContact CE2-CD2 4.19Å; F287-L332 HydrophobicContact CG-CD1 4.14Å; F287-L332 HydrophobicContact CG-CD2 3.87Å; F287-L332 HydrophobicContact CZ-CD2 4.19Å
288	K	98.4	Very high	97.1	Very high	15 Å²	15	38.8 Å²	38.8	7%	0.065	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68	124.4	177.3	-70.6	-172.7	-176.4	165.8	0	111.1	N232 D234 Y259 E290 K291 F292	N232-K288 PolarHBondContact O-NZ 3.17Å; N232-K288 VanDerWaalsContact O-NZ 3.09Å; N232-K288 WeakPolarHBondContact OD1-CE 3.17Å; N232-K288 PolarHBondContact OD1-NZ 2.92Å; D234-K288 PolarHBondContact O-N 3.42Å; D234-K288 WeakPolarHBondContact OD1-CD 3.29Å; D234-K288 IonicContact OD1-NZ 3.74Å; D234-K288 PolarHBondContact OD1-NZ 2.86Å; Y259-K288 HydrophobicContact CD1-CG 3.99Å; Y259-K288 HydrophobicContact CD2-CG 4.48Å; Y259-K288 HydrophobicContact CE1-CG 3.57Å; Y259-K288 HydrophobicContact CE2-CG 4.12Å; Y259-K288 HydrophobicContact CG-CG 4.43Å; Y259-K288 WeakPolarHBondContact OH-CE 3.4Å; K288-E290 VanDerWaalsContact C-N 3.26Å; K288-E290 HydrophobicContact CB-CG 4.21Å; K288-E290 PolarHBondContact O-N 2.89Å; K288-K291 HydrophobicContact CB-CB 4.28Å; K288-K291 HydrophobicContact CB-CG 4.28Å; K288-K291 PolarHBondContact O-N 2.85Å; K288-K291 VanDerWaalsContact O-N 3.08Å; K288-F292 PolarHBondContact O-N 2.77Å
289	T	97.3	Very high	97.3	Very high	57 Å²	57	38 Å²	38	35%	0.35	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-20.3	-176.4	54.1	0	0	0	0	113.6	G258 N260 F287 K291 R335	G258-T289 PolarHBondContact O-N 3.04Å; G258-T289 PolarHBondContact O-OG1 2.84Å; G258-T289 VanDerWaalsContact O-OG1 3.12Å; N260-T289 HydrophobicContact CB-CG2 3.56Å; F287-T289 PolarHBondContact O-N 2.93Å; T289-K291 PolarHBondContact O-N 2.84Å; T289-R335 PolarHBondContact O-NE 2.83Å; T289-R335 PolarHBondContact O-NH2 3.31Å
290	E	95.6	Very high	97.5	Very high	131 Å²	131	34.9 Å²	34.9	61%	0.612	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-20	171.9	74.9	-171.2	-179.7	0	0	112.3	K288 R335	K288-E290 VanDerWaalsContact C-N 3.26Å; K288-E290 HydrophobicContact CB-CG 4.21Å; K288-E290 PolarHBondContact O-N 2.89Å; E290-R335 VanDerWaalsContact C-CD 3.49Å; E290-R335 WeakPolarHBondContact O-CD 3.2Å
291	K	95.3	Very high	97.5	Very high	38 Å²	38	35.6 Å²	35.6	17%	0.165	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.1	-38.9	-176.3	-67.8	-150.8	178.3	-178.7	0	113.3	D234 K288 T289 R335 L338	D234-K291 HydrophobicContact CB-CD 4.03Å; D234-K291 WeakPolarHBondContact OD1-CD 3.39Å; D234-K291 WeakPolarHBondContact OD1-CE 3.43Å; D234-K291 IonicContact OD1-NZ 2.65Å; D234-K291 PolarHBondContact OD1-NZ 2.61Å; D234-K291 IonicContact OD2-NZ 3.08Å; D234-K291 PolarHBondContact OD2-NZ 3.39Å; K288-K291 HydrophobicContact CB-CB 4.28Å; K288-K291 HydrophobicContact CB-CG 4.28Å; K288-K291 PolarHBondContact O-N 2.85Å; K288-K291 VanDerWaalsContact O-N 3.08Å; T289-K291 PolarHBondContact O-N 2.84Å; K291-R335 WeakPolarHBondContact O-CB 3.21Å; K291-R335 PolarHBondContact O-N 2.76Å; K291-L338 VanDerWaalsContact CA-CD1 3.47Å; K291-L338 HydrophobicContact CB-CD1 3.46Å; K291-L338 VanDerWaalsContact CB-CD1 3.46Å; K291-L338 HydrophobicContact CD-CD1 3.86Å; K291-L338 HydrophobicContact CD-CD2 3.73Å; K291-L338 HydrophobicContact CD-CG 4.41Å; K291-L338 HydrophobicContact CG-CD1 3.66Å; K291-L338 HydrophobicContact CG-CD2 4.03Å; K291-L338 HydrophobicContact CG-CG 4.3Å; K291-L338 WeakPolarHBondContact O-CD1 3.07Å
292	F	97.2	Very high	97.5	Very high	1 Å²	1	35.6 Å²	35.6	0%	0.004	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	147	-171.7	-59.4	-76.7	0	0	0	112	F189 D234 I235 F287 K288 L332 E333 L334	F189-F292 HydrophobicContact CB-CE2 4.4Å; F189-F292 HydrophobicContact CB-CZ 3.87Å; F189-F292 HydrophobicContact CD1-CZ 4.44Å; F189-F292 HydrophobicContact CD2-CZ 4.14Å; F189-F292 AromaticContact CG-CZ 3.91Å; F189-F292 HydrophobicContact CG-CZ 3.91Å; D234-F292 HydrophobicContact CB-CE2 4.05Å; I235-F292 HydrophobicContact CD1-CD2 4.47Å; I235-F292 HydrophobicContact CD1-CE1 4.29Å; I235-F292 HydrophobicContact CD1-CE2 3.87Å; I235-F292 HydrophobicContact CD1-CZ 3.77Å; I235-F292 HydrophobicContact CG1-CD2 4.22Å; I235-F292 HydrophobicContact CG1-CE2 3.69Å; I235-F292 HydrophobicContact CG1-CZ 4.12Å; F287-F292 HydrophobicContact CB-CB 4.37Å; F287-F292 HydrophobicContact CB-CD2 4.24Å; F287-F292 HydrophobicContact CD2-CB 4Å; F287-F292 HydrophobicContact CG-CB 4.49Å; K288-F292 PolarHBondContact O-N 2.77Å; F292-L332 HydrophobicContact CB-CB 4.23Å; F292-L332 HydrophobicContact CB-CD1 4.22Å; F292-L332 HydrophobicContact CB-CD2 4.46Å; F292-L332 HydrophobicContact CD1-CB 4Å; F292-L332 HydrophobicContact CD1-CD1 4.21Å; F292-L332 HydrophobicContact CG-CB 4.4Å; F292-L332 HydrophobicContact CG-CD1 4.11Å; F292-E333 CarbonylContact C-O 3.57Å; F292-E333 WeakPolarHBondContact CA-O 3.4Å; F292-L334 HydrophobicContact CD1-CD1 4.2Å; F292-L334 HydrophobicContact CE1-CD1 3.63Å; F292-L334 HydrophobicContact CZ-CD1 4.23Å
293	T	96.8	Very high	97.3	Very high	56 Å²	56	37.2 Å²	37.2	34%	0.344	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	130.5	168.6	-55.8	0	0	0	0	109.3	V295 L332 E333	T293-V295 PolarHBondContact O-N 3.33Å; T293-L332 WeakPolarHBondContact O-CA 3.41Å; T293-E333 PolarHBondContact N-O 2.82Å; T293-E333 PolarHBondContact O-N 3.28Å
294	L	97.6	Very high	97	Very high	59 Å²	59	41.3 Å²	41.3	31%	0.309	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	124.6	177.8	-176.7	65.4	0	0	0	110.7	F287 Q296 K297 V330 L332	F287-L294 HydrophobicContact CE1-CD1 4.26Å; F287-L294 HydrophobicContact CE2-CB 4.13Å; F287-L294 HydrophobicContact CZ-CB 3.69Å; F287-L294 HydrophobicContact CZ-CD1 4.22Å; F287-L294 HydrophobicContact CZ-CD2 4.29Å; F287-L294 HydrophobicContact CZ-CG 4.29Å; L294-Q296 WeakPolarHBondContact CD1-O 3.31Å; L294-K297 HydrophobicContact CD2-CD 4.46Å; L294-V330 HydrophobicContact CD1-CB 3.77Å; L294-V330 HydrophobicContact CD1-CG1 3.98Å; L294-L332 HydrophobicContact CD1-CD2 3.94Å
295	V	96.1	Very high	96.8	Very high	63 Å²	63	42.7 Å²	42.7	38%	0.382	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	-49.1	176.1	-171.5	0	0	0	0	110.6	T293 L331 E333 L354	T293-V295 PolarHBondContact O-N 3.33Å; V295-L331 HydrophobicContact CB-CB 4.39Å; V295-L331 HydrophobicContact CB-CD2 4.2Å; V295-L331 HydrophobicContact CB-CG 4.23Å; V295-L331 WeakPolarHBondContact CB-O 3.45Å; V295-L331 HydrophobicContact CG1-CD2 4.18Å; V295-L331 PolarHBondContact N-O 3.47Å; V295-E333 HydrophobicContact CG2-CB 3.66Å; V295-L354 HydrophobicContact CG2-CD2 4.01Å
296	Q	96.4	Very high	96.5	Very high	64 Å²	64	42.7 Å²	42.7	30%	0.299	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	154.5	-179.8	-59.5	-177.3	0.3	0	0	111	L294 H298 V330 L331	L294-Q296 WeakPolarHBondContact CD1-O 3.31Å; Q296-H298 PolarHBondContact OE1-NE2 3.15Å; Q296-V330 WeakPolarHBondContact O-CA 3.25Å; Q296-L331 HydrophobicContact CB-CB 4.03Å; Q296-L331 HydrophobicContact CB-CD2 4.43Å; Q296-L331 HydrophobicContact CG-CD2 4.22Å; Q296-L331 PolarHBondContact N-O 2.84Å; Q296-L331 PolarHBondContact O-N 2.87Å
297	K	97.6	Very high	96.1	Very high	128 Å²	128	48.2 Å²	48.2	56%	0.557	24%	0.243	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-134.6	138.1	174.9	63.8	-169.4	-175	175	0	109.2	F262 L294 A329 V330	F262-K297 HydrophobicContact CD1-CB 3.97Å; F262-K297 HydrophobicContact CD2-CB 4.01Å; F262-K297 HydrophobicContact CD2-CD 3.61Å; F262-K297 HydrophobicContact CD2-CG 4.19Å; F262-K297 HydrophobicContact CE1-CB 4.02Å; F262-K297 HydrophobicContact CE2-CB 4.07Å; F262-K297 HydrophobicContact CE2-CD 3.73Å; F262-K297 HydrophobicContact CE2-CG 4.02Å; F262-K297 HydrophobicContact CG-CB 3.94Å; F262-K297 HydrophobicContact CG-CD 4.29Å; F262-K297 HydrophobicContact CZ-CB 4.07Å; F262-K297 HydrophobicContact CZ-CD 4.49Å; F262-K297 HydrophobicContact CZ-CG 4.31Å; L294-K297 HydrophobicContact CD2-CD 4.46Å; K297-A329 CarbonylContact C-O 3.54Å; K297-A329 WeakPolarHBondContact CA-O 3.35Å; K297-V330 HydrophobicContact CB-CG1 4.33Å
298	H	98.1	Very high	95.7	Very high	57 Å²	57	51.9 Å²	51.9	26%	0.264	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	138.8	-175.2	-63.7	-83	0	0	0	109.9	Q296 V328 A329 I386	Q296-H298 PolarHBondContact OE1-NE2 3.15Å; H298-V328 CarbonylContact O-C 3.58Å; H298-V328 WeakPolarHBondContact O-CA 3.48Å; H298-A329 PolarHBondContact N-O 3.21Å; H298-A329 PolarHBondContact O-N 3.16Å; H298-I386 HydrophobicContact CB-CD1 3.58Å; H298-I386 HydrophobicContact CB-CG1 4.39Å
299	T	98.2	Very high	95.3	Very high	51 Å²	51	52.8 Å²	52.8	31%	0.313	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	130.6	168.1	-60.5	0	0	0	0	108	S264 E301	S264-T299 VanDerWaalsContact CB-OG1 3.26Å; S264-T299 WeakPolarHBondContact CB-OG1 3.24Å; S264-T299 WeakPolarHBondContact OG-CG2 3.09Å; S264-T299 PolarHBondContact OG-OG1 3.19Å; S264-T299 VanDerWaalsContact OG-OG1 3.09Å; T299-E301 HydrophobicContact CG2-CG 4.09Å
300	V	97.6	Very high	94.8	Very high	7 Å²	7	51.1 Å²	51.1	4%	0.042	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	112.8	176.3	-174.5	0	0	0	0	108.1	F302 L305 I326 G327 F379 E382	V300-F302 HydrophobicContact CB-CE1 4.36Å; V300-F302 HydrophobicContact CG1-CD1 3.97Å; V300-F302 HydrophobicContact CG1-CE1 3.79Å; V300-L305 HydrophobicContact CG1-CD1 3.51Å; V300-I326 VanDerWaalsContact O-CA 3.32Å; V300-I326 WeakPolarHBondContact O-CA 3.46Å; V300-G327 PolarHBondContact N-O 2.73Å; V300-G327 PolarHBondContact O-N 2.78Å; V300-F379 HydrophobicContact CB-CD2 3.93Å; V300-F379 HydrophobicContact CB-CE2 4.12Å; V300-F379 HydrophobicContact CG1-CD2 4.13Å; V300-F379 HydrophobicContact CG2-CD2 3.94Å; V300-F379 HydrophobicContact CG2-CE2 3.9Å; V300-E382 HydrophobicContact CG1-CB 4.07Å; V300-E382 HydrophobicContact CG1-CG 4.02Å; V300-E382 HydrophobicContact CG2-CB 3.93Å
301	E	96.4	Very high	94.2	Very high	17 Å²	17	53.3 Å²	53.3	8%	0.079	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	109.5	177.9	-61.7	-167	-167.6	0	0	109.9	S267 R270 T299 N303 Q304 L305 I326	S267-E301 WeakPolarHBondContact CB-OE2 3.46Å; S267-E301 WeakPolarHBondContact OG-CG 3.26Å; S267-E301 PolarHBondContact OG-OE2 2.96Å; R270-E301 IonicContact CZ-OE1 3.14Å; R270-E301 IonicContact CZ-OE2 3.89Å; R270-E301 IonicContact NE-OE1 3.24Å; R270-E301 PolarHBondContact NE-OE1 2.77Å; R270-E301 IonicContact NE-OE2 3.91Å; R270-E301 IonicContact NH2-OE1 2.62Å; R270-E301 PolarHBondContact NH2-OE1 2.59Å; R270-E301 IonicContact NH2-OE2 3.94Å; T299-E301 HydrophobicContact CG2-CG 4.09Å; E301-N303 VanDerWaalsContact C-N 3.32Å; E301-N303 PolarHBondContact O-N 3.19Å; E301-Q304 HydrophobicContact CB-CB 4.32Å; E301-Q304 HydrophobicContact CB-CG 4.06Å; E301-Q304 PolarHBondContact O-N 3.21Å; E301-Q304 PolarHBondContact OE2-NE2 3.02Å; E301-L305 PolarHBondContact O-N 2.82Å; E301-I326 HydrophobicContact CG-CG2 4.18Å
302	F	96.4	Very high	93.4	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-67.3	-32.5	-171.1	-56.6	-40.3	0	0	0	112.9	V300 Q304 L305 A306 N325 A360 M362 Q375 M378 F379	V300-F302 HydrophobicContact CB-CE1 4.36Å; V300-F302 HydrophobicContact CG1-CD1 3.97Å; V300-F302 HydrophobicContact CG1-CE1 3.79Å; F302-Q304 PolarHBondContact O-N 3.25Å; F302-L305 PolarHBondContact O-N 3.42Å; F302-A306 VanDerWaalsContact O-CB 3.25Å; F302-A306 WeakPolarHBondContact O-CB 3.34Å; F302-A306 PolarHBondContact O-N 3.47Å; F302-N325 HydrophobicContact CD2-CB 3.72Å; F302-N325 VanDerWaalsContact CD2-O 3.26Å; F302-N325 WeakPolarHBondContact CD2-O 3.26Å; F302-N325 HydrophobicContact CE2-CB 4.14Å; F302-N325 PolarHBondContact N-O 3.22Å; F302-A360 HydrophobicContact CZ-CB 4.46Å; F302-M362 HydrophobicContact CE2-SD 3.75Å; F302-M362 HydrophobicContact CZ-CE 4.24Å; F302-M362 HydrophobicContact CZ-SD 4.06Å; F302-Q375 HydrophobicContact CB-CG 4.04Å; F302-Q375 HydrophobicContact CD2-CB 3.93Å; F302-Q375 HydrophobicContact CD2-CG 3.73Å; F302-Q375 HydrophobicContact CE2-CB 4.17Å; F302-Q375 HydrophobicContact CE2-CG 4.43Å; F302-Q375 HydrophobicContact CG-CB 4.23Å; F302-Q375 HydrophobicContact CG-CG 3.98Å; F302-M378 HydrophobicContact CB-SD 4.41Å; F302-M378 HydrophobicContact CD1-CB 4.32Å; F302-F379 HydrophobicContact CE1-CB 3.65Å; F302-F379 AromaticContact CE1-CD2 3.91Å; F302-F379 HydrophobicContact CE1-CD2 3.91Å; F302-F379 HydrophobicContact CE1-CG 4.05Å; F302-F379 HydrophobicContact CZ-CB 3.95Å; F302-F379 HydrophobicContact CZ-CD2 4.14Å; F302-F379 HydrophobicContact CZ-CG 4.1Å
303	N	94.3	Very high	93	Very high	35 Å²	35	55 Å²	55	19%	0.187	31%	0.308	C	S	.	.	H	α-helix	trans	-62.7	-40.7	175	57.1	-3	0	0	0	113.1	E301 A306 M307 M321 K323	E301-N303 VanDerWaalsContact C-N 3.32Å; E301-N303 PolarHBondContact O-N 3.19Å; N303-A306 PolarHBondContact O-N 3.31Å; N303-M307 WeakPolarHBondContact O-CB 3.37Å; N303-M307 PolarHBondContact O-N 2.79Å; N303-M321 WeakPolarHBondContact CB-O 3.45Å; N303-K323 WeakPolarHBondContact CB-O 3.4Å
304	Q	93.3	Very high	92.6	Very high	86 Å²	86	59.6 Å²	59.6	40%	0.402	33%	0.325	S	S	.	.	H	α-helix	trans	-68.5	-40.5	178.4	-62.9	-169.4	18.5	0	0	110.9	E301 F302 M307 A308	E301-Q304 HydrophobicContact CB-CB 4.32Å; E301-Q304 HydrophobicContact CB-CG 4.06Å; E301-Q304 PolarHBondContact O-N 3.21Å; E301-Q304 PolarHBondContact OE2-NE2 3.02Å; F302-Q304 PolarHBondContact O-N 3.25Å; Q304-M307 PolarHBondContact O-N 2.59Å; Q304-A308 WeakPolarHBondContact O-CB 3.43Å; Q304-A308 PolarHBondContact O-N 2.7Å
305	L	93.3	Very high	92.3	Very high	29 Å²	29	57.4 Å²	57.4	15%	0.152	32%	0.316	C	S	.	.	H	α-helix	trans	-65.2	-41.6	174.1	-68.7	178.3	0	0	0	112.1	V300 E301 F302 A308 N309 M378 E382	V300-L305 HydrophobicContact CG1-CD1 3.51Å; E301-L305 PolarHBondContact O-N 2.82Å; F302-L305 PolarHBondContact O-N 3.42Å; L305-A308 PolarHBondContact O-N 2.73Å; L305-N309 WeakPolarHBondContact O-CB 3.43Å; L305-N309 PolarHBondContact O-N 3.16Å; L305-N309 VanDerWaalsContact O-N 3.1Å; L305-N309 PolarHBondContact O-ND2 2.96Å; L305-M378 HydrophobicContact CB-CG 4.4Å; L305-M378 HydrophobicContact CB-SD 4.07Å; L305-M378 HydrophobicContact CD1-CB 3.96Å; L305-E382 HydrophobicContact CD1-CG 3.62Å; L305-E382 HydrophobicContact CD2-CG 4.04Å; L305-E382 HydrophobicContact CG-CG 4.46Å
306	A	92.9	Very high	92	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-59.5	-47.1	174.9	0	0	0	0	0	111	F302 N303 A308 N309 S310 M316 V320 M321 M378	F302-A306 VanDerWaalsContact O-CB 3.25Å; F302-A306 WeakPolarHBondContact O-CB 3.34Å; F302-A306 PolarHBondContact O-N 3.47Å; N303-A306 PolarHBondContact O-N 3.31Å; A306-A308 PolarHBondContact O-N 2.9Å; A306-N309 CarbonylContact O-C 3.56Å; A306-N309 PolarHBondContact O-N 3.2Å; A306-S310 VanDerWaalsContact O-CB 3.26Å; A306-S310 WeakPolarHBondContact O-CB 3.48Å; A306-S310 PolarHBondContact O-N 2.75Å; A306-M316 HydrophobicContact CB-CG 4.07Å; A306-M316 HydrophobicContact CB-SD 3.91Å; A306-M316 WeakPolarHBondContact O-CG 3.48Å; A306-V320 HydrophobicContact CB-CB 4.21Å; A306-V320 HydrophobicContact CB-CG1 3.86Å; A306-M321 HydrophobicContact CB-CB 3.95Å; A306-M378 VanDerWaalsContact CA-CE 3.44Å; A306-M378 HydrophobicContact CB-CE 3.69Å; A306-M378 HydrophobicContact CB-SD 4.45Å
307	M	90.8	Very high	91.7	Very high	117 Å²	117	54.5 Å²	54.5	58%	0.576	30%	0.3	S	S	*	.	H	α-helix	trans	-62	-40.4	177	-175.1	177.2	65	0	0	112.4	N303 Q304 N309 S310 M321	N303-M307 WeakPolarHBondContact O-CB 3.37Å; N303-M307 PolarHBondContact O-N 2.79Å; Q304-M307 PolarHBondContact O-N 2.59Å; M307-N309 VanDerWaalsContact C-N 3.25Å; M307-N309 PolarHBondContact O-N 3.05Å; M307-S310 PolarHBondContact O-OG 3.01Å; M307-S310 VanDerWaalsContact O-OG 3.09Å; M307-M321 HydrophobicContact CB-CG 4.08Å; M307-M321 HydrophobicContact CB-SD 4.08Å; M307-M321 HydrophobicContact CG-SD 4.23Å
308	A	90.8	Very high	91.5	Very high	78 Å²	78	53.4 Å²	53.4	65%	0.645	30%	0.3	S	S	*	.	H	α-helix	trans	-71.1	-20	179.1	0	0	0	0	0	113.6	Q304 L305 A306	Q304-A308 WeakPolarHBondContact O-CB 3.43Å; Q304-A308 PolarHBondContact O-N 2.7Å; L305-A308 PolarHBondContact O-N 2.73Å; A306-A308 PolarHBondContact O-N 2.9Å
309	N	88.5	Confident	91.3	Very high	35 Å²	35	53.2 Å²	53.2	19%	0.187	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-122.8	21.4	-174.6	-66.2	-86.7	0	0	0	112.3	L305 A306 M307 E311 S445 N448 F449	L305-N309 WeakPolarHBondContact O-CB 3.43Å; L305-N309 PolarHBondContact O-N 3.16Å; L305-N309 VanDerWaalsContact O-N 3.1Å; L305-N309 PolarHBondContact O-ND2 2.96Å; A306-N309 CarbonylContact O-C 3.56Å; A306-N309 PolarHBondContact O-N 3.2Å; M307-N309 VanDerWaalsContact C-N 3.25Å; M307-N309 PolarHBondContact O-N 3.05Å; N309-E311 VanDerWaalsContact C-N 3.31Å; N309-E311 PolarHBondContact O-N 3Å; N309-S445 VanDerWaalsContact O-CB 3.25Å; N309-S445 WeakPolarHBondContact O-CB 3.01Å; N309-N448 WeakPolarHBondContact OD1-CB 3.2Å; N309-N448 PolarHBondContact OD1-ND2 3.18Å; N309-F449 HydrophobicContact CB-CE1 4.05Å; N309-F449 HydrophobicContact CB-CE2 4.16Å; N309-F449 HydrophobicContact CB-CZ 3.41Å; N309-F449 VanDerWaalsContact CB-CZ 3.41Å
310	S	87.1	Confident	91.1	Very high	21 Å²	21	50.8 Å²	50.8	15%	0.147	28%	0.282	C	S	.	.			trans	-85.7	0.9	-176.5	58.8	0	0	0	0	114.7	A306 M307 G312 S313 L317	A306-S310 VanDerWaalsContact O-CB 3.26Å; A306-S310 WeakPolarHBondContact O-CB 3.48Å; A306-S310 PolarHBondContact O-N 2.75Å; M307-S310 PolarHBondContact O-OG 3.01Å; M307-S310 VanDerWaalsContact O-OG 3.09Å; S310-G312 PolarHBondContact O-N 2.66Å; S310-G312 VanDerWaalsContact O-N 3.16Å; S310-S313 PolarHBondContact O-N 3.39Å; S310-L317 VanDerWaalsContact CB-CD2 3.45Å; S310-L317 WeakPolarHBondContact OG-CD2 3.42Å
311	E	83.6	Confident	90.9	Very high	177 Å²	177	53.4 Å²	53.4	83%	0.827	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	122.2	-177.7	-167.2	174.2	-169.7	0	0	110.4	N309 S313	N309-E311 VanDerWaalsContact C-N 3.31Å; N309-E311 PolarHBondContact O-N 3Å; E311-S313 VanDerWaalsContact C-N 3.31Å; E311-S313 PolarHBondContact O-N 3.18Å
312	G	79.2	Confident	90.8	Very high	69 Å²	69	56.5 Å²	56.5	71%	0.711	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.7	1.5	-179.4	0	0	0	0	0	116.5	S310	S310-G312 PolarHBondContact O-N 2.66Å; S310-G312 VanDerWaalsContact O-N 3.16Å
313	S	87.3	Confident	90.8	Very high	5 Å²	5	57.9 Å²	57.9	4%	0.035	32%	0.321	C	S	.	.			trans	-126.8	100.7	-178.3	-168.9	0	0	0	0	113.6	S310 E311 A315 M316 L317 R441	S310-S313 PolarHBondContact O-N 3.39Å; E311-S313 VanDerWaalsContact C-N 3.31Å; E311-S313 PolarHBondContact O-N 3.18Å; S313-A315 PolarHBondContact O-N 2.9Å; S313-M316 WeakPolarHBondContact O-CB 3.44Å; S313-M316 PolarHBondContact O-N 3.35Å; S313-M316 PolarHBondContact OG-N 2.94Å; S313-L317 PolarHBondContact O-N 3.48Å; S313-R441 PolarHBondContact OG-O 3.12Å
314	E	89.1	Confident	90.8	Very high	153 Å²	153	58.1 Å²	58.1	72%	0.715	32%	0.322	S	S	*	.	H	α-helix	trans	-61.5	-33.6	171.7	-67.2	-174.3	174.1	0	0	112.3	M316 L317 N318	E314-M316 VanDerWaalsContact C-N 3.3Å; E314-M316 PolarHBondContact O-N 3.41Å; E314-L317 PolarHBondContact O-N 3.2Å; E314-N318 WeakPolarHBondContact O-CB 3.38Å; E314-N318 VanDerWaalsContact O-CG 3.28Å; E314-N318 PolarHBondContact O-N 2.74Å; E314-N318 PolarHBondContact O-ND2 2.9Å
315	A	90.5	Very high	91	Very high	14 Å²	14	54.4 Å²	54.4	12%	0.116	31%	0.305	C	S	.	.	H	α-helix	trans	-62.9	-38.5	177.9	0	0	0	0	0	111.3	S313 R319 L440 Y442	S313-A315 PolarHBondContact O-N 2.9Å; A315-R319 VanDerWaalsContact O-CB 3.28Å; A315-R319 WeakPolarHBondContact O-CB 3.28Å; A315-R319 PolarHBondContact O-N 2.84Å; A315-L440 HydrophobicContact CB-CB 4.18Å; A315-L440 HydrophobicContact CB-CD1 4.46Å; A315-Y442 HydrophobicContact CB-CD1 4.06Å; A315-Y442 HydrophobicContact CB-CE1 3.48Å; A315-Y442 VanDerWaalsContact CB-CE1 3.48Å; A315-Y442 HydrophobicContact CB-CE2 4Å; A315-Y442 VanDerWaalsContact CB-CZ 3.44Å
316	M	91.6	Very high	91.2	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	30%	0.298	C	S	.	.	I	π-helix	trans	-59.9	-46.4	173.9	-168	67.9	73.5	0	0	111.7	A306 S313 E314 V320 M321 V374 M378 Y442 L446 F449	A306-M316 HydrophobicContact CB-CG 4.07Å; A306-M316 HydrophobicContact CB-SD 3.91Å; A306-M316 WeakPolarHBondContact O-CG 3.48Å; S313-M316 WeakPolarHBondContact O-CB 3.44Å; S313-M316 PolarHBondContact O-N 3.35Å; S313-M316 PolarHBondContact OG-N 2.94Å; E314-M316 VanDerWaalsContact C-N 3.3Å; E314-M316 PolarHBondContact O-N 3.41Å; M316-V320 WeakPolarHBondContact O-CB 3.46Å; M316-V320 PolarHBondContact O-N 3.43Å; M316-V320 HydrophobicContact SD-CB 3.78Å; M316-V320 HydrophobicContact SD-CG1 3.97Å; M316-V320 HydrophobicContact SD-CG2 3.86Å; M316-M321 WeakPolarHBondContact O-CB 3.39Å; M316-M321 PolarHBondContact O-N 3.38Å; M316-V374 HydrophobicContact CE-CG1 3.91Å; M316-V374 HydrophobicContact SD-CG1 3.92Å; M316-M378 HydrophobicContact CE-CE 4Å; M316-M378 HydrophobicContact SD-CE 3.4Å; M316-M378 WeakPolarHBondContact SD-CE 3.42Å; M316-Y442 HydrophobicContact CB-CE1 4.47Å; M316-Y442 HydrophobicContact CE-CD1 4.18Å; M316-L446 HydrophobicContact CE-CD2 4.46Å; M316-F449 HydrophobicContact CE-CE2 3.9Å
317	L	90.3	Very high	91.5	Very high	65 Å²	65	53.1 Å²	53.1	34%	0.34	30%	0.298	S	S	.	.	I	π-helix	trans	-68.1	-46.6	179.4	-69.1	174.1	0	0	0	112.6	S310 S313 E314 M321	S310-L317 VanDerWaalsContact CB-CD2 3.45Å; S310-L317 WeakPolarHBondContact OG-CD2 3.42Å; S313-L317 PolarHBondContact O-N 3.48Å; E314-L317 PolarHBondContact O-N 3.2Å; L317-M321 HydrophobicContact CD2-SD 3.78Å; L317-M321 WeakPolarHBondContact O-CB 3.23Å
318	N	92.3	Very high	91.8	Very high	106 Å²	106	47.6 Å²	47.6	57%	0.567	27%	0.271	S	S	*	.	I	π-helix	trans	-81.4	-35.9	-169.9	-65.9	-25.9	0	0	0	112.1	E314 T322	E314-N318 WeakPolarHBondContact O-CB 3.38Å; E314-N318 VanDerWaalsContact O-CG 3.28Å; E314-N318 PolarHBondContact O-N 2.74Å; E314-N318 PolarHBondContact O-ND2 2.9Å; N318-T322 WeakPolarHBondContact O-CG2 3.37Å; N318-T322 PolarHBondContact O-OG1 3.43Å
319	R	94.2	Very high	92.2	Very high	53 Å²	53	43.9 Å²	43.9	20%	0.2	24%	0.24	C	C	.	.	I	π-helix	trans	-105.1	-44.9	-171.2	-58.6	178.1	58.7	75.6	-0.3	113.1	A315 T322 K323 D367 Y368 D370 V371	A315-R319 VanDerWaalsContact O-CB 3.28Å; A315-R319 WeakPolarHBondContact O-CB 3.28Å; A315-R319 PolarHBondContact O-N 2.84Å; R319-T322 PolarHBondContact O-OG1 3.13Å; R319-K323 WeakPolarHBondContact O-CG 3.49Å; R319-K323 PolarHBondContact O-NZ 2.89Å; R319-D367 PolarHBondContact NH2-O 2.77Å; R319-Y368 HydrophobicContact CB-CE1 4.45Å; R319-D370 IonicContact CZ-OD1 3.14Å; R319-D370 IonicContact CZ-OD2 2.66Å; R319-D370 IonicContact NE-OD1 3.62Å; R319-D370 IonicContact NE-OD2 3.43Å; R319-D370 PolarHBondContact NE-OD2 3.05Å; R319-D370 IonicContact NH2-OD1 2.85Å; R319-D370 PolarHBondContact NH2-OD1 2.75Å; R319-D370 IonicContact NH2-OD2 3.3Å; R319-V371 HydrophobicContact CB-CG2 3.93Å
320	V	94.3	Very high	92.7	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	23%	0.231	C	C	.	.	I	π-helix	trans	-87.8	-51.9	-173.9	-171.4	0	0	0	0	111.7	A306 M316 T322 K323 V371 V374 M378 Y442	A306-V320 HydrophobicContact CB-CB 4.21Å; A306-V320 HydrophobicContact CB-CG1 3.86Å; M316-V320 WeakPolarHBondContact O-CB 3.46Å; M316-V320 PolarHBondContact O-N 3.43Å; M316-V320 HydrophobicContact SD-CB 3.78Å; M316-V320 HydrophobicContact SD-CG1 3.97Å; M316-V320 HydrophobicContact SD-CG2 3.86Å; V320-T322 PolarHBondContact O-N 3.42Å; V320-K323 PolarHBondContact O-N 2.87Å; V320-V371 HydrophobicContact CG2-CG2 4.07Å; V320-V374 HydrophobicContact CG1-CG1 3.99Å; V320-V374 HydrophobicContact CG2-CB 4.22Å; V320-V374 HydrophobicContact CG2-CG1 4.13Å; V320-V374 HydrophobicContact CG2-CG2 4.49Å; V320-M378 HydrophobicContact CG1-CE 4.04Å; V320-M378 HydrophobicContact CG1-SD 4.3Å; V320-Y442 HydrophobicContact CG2-CE1 3.94Å
321	M	93.8	Very high	93.2	Very high	62 Å²	62	41.3 Å²	41.3	31%	0.305	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-29.9	-177.5	-173.1	-159.5	76.8	0	0	112.8	N303 A306 M307 M316 L317 K323	N303-M321 WeakPolarHBondContact CB-O 3.45Å; A306-M321 HydrophobicContact CB-CB 3.95Å; M307-M321 HydrophobicContact CB-CG 4.08Å; M307-M321 HydrophobicContact CB-SD 4.08Å; M307-M321 HydrophobicContact CG-SD 4.23Å; M316-M321 WeakPolarHBondContact O-CB 3.39Å; M316-M321 PolarHBondContact O-N 3.38Å; L317-M321 HydrophobicContact CD2-SD 3.78Å; L317-M321 WeakPolarHBondContact O-CB 3.23Å; M321-K323 PolarHBondContact O-N 3.04Å
322	T	93.4	Very high	93.9	Very high	82 Å²	82	32.9 Å²	32.9	50%	0.503	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-4.9	179.1	57.1	0	0	0	0	113.9	N318 R319 V320	N318-T322 WeakPolarHBondContact O-CG2 3.37Å; N318-T322 PolarHBondContact O-OG1 3.43Å; R319-T322 PolarHBondContact O-OG1 3.13Å; V320-T322 PolarHBondContact O-N 3.42Å
323	K	95.8	Very high	94.6	Very high	29 Å²	29	31.6 Å²	31.6	13%	0.126	16%	0.161	C	C	.	.			trans	-102.3	132.6	179.5	-53.6	-54.4	-179.2	-68.3	0	111	N303 R319 V320 M321 H363 V371	N303-K323 WeakPolarHBondContact CB-O 3.4Å; R319-K323 WeakPolarHBondContact O-CG 3.49Å; R319-K323 PolarHBondContact O-NZ 2.89Å; V320-K323 PolarHBondContact O-N 2.87Å; M321-K323 PolarHBondContact O-N 3.04Å; K323-H363 WeakPolarHBondContact CE-NE2 3.03Å; K323-V371 HydrophobicContact CG-CG1 4.06Å
324	D	94.5	Very high	94.8	Very high	40 Å²	40	31.7 Å²	31.7	21%	0.214	16%	0.161	C	C	.	.			trans	-97.9	17.9	-173.2	69.7	-25.4	0	0	0	113.8	K266 S267 R268	K266-D324 WeakPolarHBondContact CB-O 3.5Å; S267-D324 PolarHBondContact N-O 2.81Å; R268-D324 HydrophobicContact CB-CB 4.48Å; R268-D324 WeakPolarHBondContact CB-OD2 3.33Å; R268-D324 WeakPolarHBondContact CD-OD2 3.44Å; R268-D324 WeakPolarHBondContact CG-OD2 3.49Å; R268-D324 IonicContact CZ-OD2 3.75Å; R268-D324 IonicContact NE-OD2 3.69Å; R268-D324 IonicContact NH1-OD1 2.73Å; R268-D324 IonicContact NH1-OD2 2.67Å; R268-D324 PolarHBondContact NH1-OD2 3.09Å
325	N	97.6	Very high	94.8	Very high	8 Å²	8	29.2 Å²	29.2	4%	0.043	15%	0.145	C	C	.	.			trans	-60.5	151.9	174.7	-65.2	96.9	0	0	0	111.3	F302 H361 M362 H363 Q375	F302-N325 HydrophobicContact CD2-CB 3.72Å; F302-N325 VanDerWaalsContact CD2-O 3.26Å; F302-N325 WeakPolarHBondContact CD2-O 3.26Å; F302-N325 HydrophobicContact CE2-CB 4.14Å; F302-N325 PolarHBondContact N-O 3.22Å; N325-H361 WeakPolarHBondContact CB-O 3.49Å; N325-H361 PolarHBondContact ND2-O 2.88Å; N325-M362 VanDerWaalsContact ND2-C 3.27Å; N325-M362 PolarHBondContact ND2-O 2.95Å; N325-H363 PolarHBondContact ND2-N 3.04Å; N325-H363 WeakPolarHBondContact OD1-CA 3.4Å; N325-H363 WeakPolarHBondContact OD1-CB 3.46Å; N325-Q375 PolarHBondContact OD1-NE2 3.4Å
326	I	97.8	Very high	94.2	Very high	2 Å²	2	34.9 Å²	34.9	1%	0.01	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	163	-177	60.6	155.1	0	0	0	111.4	S264 P265 K266 V300 E301 H361	S264-I326 WeakPolarHBondContact O-CD1 3.44Å; P265-I326 WeakPolarHBondContact O-CD1 3.4Å; K266-I326 HydrophobicContact CG-CG1 4.25Å; V300-I326 VanDerWaalsContact O-CA 3.32Å; V300-I326 WeakPolarHBondContact O-CA 3.46Å; E301-I326 HydrophobicContact CG-CG2 4.18Å; I326-H361 PolarHBondContact O-N 2.71Å
327	G	98.3	Very high	93.6	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	157.6	159.8	0	0	0	0	0	111	V300 N359	V300-G327 PolarHBondContact N-O 2.73Å; V300-G327 PolarHBondContact O-N 2.78Å; G327-N359 CarbonylContact C-O 3.47Å; G327-N359 VanDerWaalsContact CA-O 3.3Å; G327-N359 WeakPolarHBondContact CA-O 3.39Å
328	V	98.7	Very high	92.7	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	146.9	172.2	-64.7	0	0	0	0	109.3	F262 C283 I285 H298 A358 N359	F262-V328 HydrophobicContact CD1-CB 4.13Å; F262-V328 HydrophobicContact CD1-CG1 4.47Å; F262-V328 HydrophobicContact CE1-CB 3.8Å; F262-V328 HydrophobicContact CE1-CG1 3.88Å; C283-V328 HydrophobicContact CB-CG1 4.32Å; C283-V328 HydrophobicContact CB-CG2 3.7Å; I285-V328 HydrophobicContact CD1-CG2 3.9Å; I285-V328 HydrophobicContact CG1-CG2 3.97Å; H298-V328 CarbonylContact O-C 3.58Å; H298-V328 WeakPolarHBondContact O-CA 3.48Å; V328-A358 CarbonylContact O-C 3.51Å; V328-A358 WeakPolarHBondContact O-CA 3.45Å; V328-N359 HydrophobicContact CG2-CB 3.88Å; V328-N359 PolarHBondContact N-O 3.47Å; V328-N359 PolarHBondContact O-N 3.36Å
329	A	98.6	Very high	91.8	Very high	0 Å²	0	37 Å²	37	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	138.6	175.1	0	0	0	0	0	110.5	K297 H298 L356 V357 A358 I386	K297-A329 CarbonylContact C-O 3.54Å; K297-A329 WeakPolarHBondContact CA-O 3.35Å; H298-A329 PolarHBondContact N-O 3.21Å; H298-A329 PolarHBondContact O-N 3.16Å; A329-L356 HydrophobicContact CB-CD1 4.38Å; A329-V357 CarbonylContact C-O 3.49Å; A329-V357 VanDerWaalsContact CA-O 3.27Å; A329-V357 WeakPolarHBondContact CA-O 3.17Å; A329-A358 HydrophobicContact CB-CB 4.41Å; A329-I386 HydrophobicContact CB-CD1 4.12Å
330	V	98.6	Very high	90.5	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	133	174.5	-63.4	0	0	0	0	109.9	F262 I285 L294 Q296 K297 L332 L356 V357	F262-V330 HydrophobicContact CB-CG1 3.81Å; F262-V330 HydrophobicContact CD1-CG1 3.73Å; F262-V330 HydrophobicContact CG-CG1 4.12Å; I285-V330 HydrophobicContact CB-CG2 4.2Å; I285-V330 HydrophobicContact CD1-CG1 4.39Å; I285-V330 HydrophobicContact CD1-CG2 3.91Å; I285-V330 HydrophobicContact CG2-CG2 3.68Å; L294-V330 HydrophobicContact CD1-CB 3.77Å; L294-V330 HydrophobicContact CD1-CG1 3.98Å; Q296-V330 WeakPolarHBondContact O-CA 3.25Å; K297-V330 HydrophobicContact CB-CG1 4.33Å; V330-L332 HydrophobicContact CB-CD2 4.28Å; V330-L332 HydrophobicContact CG2-CD1 4.22Å; V330-L332 HydrophobicContact CG2-CD2 4.03Å; V330-L332 HydrophobicContact CG2-CG 4.01Å; V330-L356 WeakPolarHBondContact O-CD1 3.48Å; V330-V357 HydrophobicContact CG2-CB 3.99Å; V330-V357 PolarHBondContact N-O 2.9Å; V330-V357 PolarHBondContact O-N 3.15Å
331	L	97.9	Very high	89	Confident	2 Å²	2	43.9 Å²	43.9	1%	0.01	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	117.3	172.7	-174.3	66.9	0	0	0	108	V295 Q296 L354 L356 A390 I405	V295-L331 HydrophobicContact CB-CB 4.39Å; V295-L331 HydrophobicContact CB-CD2 4.2Å; V295-L331 HydrophobicContact CB-CG 4.23Å; V295-L331 WeakPolarHBondContact CB-O 3.45Å; V295-L331 HydrophobicContact CG1-CD2 4.18Å; V295-L331 PolarHBondContact N-O 3.47Å; Q296-L331 HydrophobicContact CB-CB 4.03Å; Q296-L331 HydrophobicContact CB-CD2 4.43Å; Q296-L331 HydrophobicContact CG-CD2 4.22Å; Q296-L331 PolarHBondContact N-O 2.84Å; Q296-L331 PolarHBondContact O-N 2.87Å; L331-L354 HydrophobicContact CD1-CB 4.1Å; L331-L354 HydrophobicContact CD1-CD1 4.07Å; L331-L354 HydrophobicContact CD2-CD1 3.92Å; L331-L354 HydrophobicContact CG-CD1 4.1Å; L331-L356 HydrophobicContact CB-CD1 4Å; L331-L356 HydrophobicContact CD1-CB 4.3Å; L331-L356 HydrophobicContact CD1-CD1 4Å; L331-A390 HydrophobicContact CD2-CB 3.54Å; L331-I405 HydrophobicContact CD1-CD1 4.25Å; L331-I405 HydrophobicContact CD1-CG2 4.03Å
332	L	97.1	Very high	87	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	134.6	-174.7	-59	179.3	0	0	0	110.1	I235 F287 F292 T293 L294 V330 L354 V355 V357	I235-L332 HydrophobicContact CD1-CD1 4.04Å; F287-L332 HydrophobicContact CB-CD1 3.99Å; F287-L332 HydrophobicContact CD1-CD1 4.37Å; F287-L332 HydrophobicContact CD1-CD2 3.82Å; F287-L332 HydrophobicContact CD2-CD2 4.04Å; F287-L332 HydrophobicContact CE1-CD2 3.99Å; F287-L332 HydrophobicContact CE2-CD2 4.19Å; F287-L332 HydrophobicContact CG-CD1 4.14Å; F287-L332 HydrophobicContact CG-CD2 3.87Å; F287-L332 HydrophobicContact CZ-CD2 4.19Å; F292-L332 HydrophobicContact CB-CB 4.23Å; F292-L332 HydrophobicContact CB-CD1 4.22Å; F292-L332 HydrophobicContact CB-CD2 4.46Å; F292-L332 HydrophobicContact CD1-CB 4Å; F292-L332 HydrophobicContact CD1-CD1 4.21Å; F292-L332 HydrophobicContact CG-CB 4.4Å; F292-L332 HydrophobicContact CG-CD1 4.11Å; T293-L332 WeakPolarHBondContact O-CA 3.41Å; L294-L332 HydrophobicContact CD1-CD2 3.94Å; V330-L332 HydrophobicContact CB-CD2 4.28Å; V330-L332 HydrophobicContact CG2-CD1 4.22Å; V330-L332 HydrophobicContact CG2-CD2 4.03Å; V330-L332 HydrophobicContact CG2-CG 4.01Å; L332-L354 CarbonylContact O-C 3.52Å; L332-L354 VanDerWaalsContact O-CA 3.26Å; L332-L354 WeakPolarHBondContact O-CA 3.39Å; L332-V355 PolarHBondContact N-O 3.3Å; L332-V355 PolarHBondContact O-N 2.74Å; L332-V357 HydrophobicContact CD1-CG2 3.96Å
333	E	94.4	Very high	84.9	Confident	42 Å²	42	44.6 Å²	44.6	20%	0.196	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	123.1	168.5	179.7	172.4	-177.2	0	0	108.8	F292 T293 V295 K352 L354	F292-E333 CarbonylContact C-O 3.57Å; F292-E333 WeakPolarHBondContact CA-O 3.4Å; T293-E333 PolarHBondContact N-O 2.82Å; T293-E333 PolarHBondContact O-N 3.28Å; V295-E333 HydrophobicContact CG2-CB 3.66Å; E333-K352 VanDerWaalsContact OE1-CD 3.26Å; E333-K352 WeakPolarHBondContact OE1-CD 3.39Å; E333-K352 VanDerWaalsContact OE1-CE 3.23Å; E333-K352 WeakPolarHBondContact OE1-CE 3.21Å; E333-K352 VanDerWaalsContact OE1-CG 3.26Å; E333-K352 WeakPolarHBondContact OE1-CG 3.37Å; E333-K352 IonicContact OE1-NZ 3.19Å; E333-K352 PolarHBondContact OE1-NZ 3.33Å; E333-K352 IonicContact OE2-NZ 2.8Å; E333-K352 PolarHBondContact OE2-NZ 3.43Å; E333-L354 HydrophobicContact CB-CD2 3.72Å; E333-L354 HydrophobicContact CG-CD2 4.16Å
334	L	91.8	Very high	82.4	Confident	8 Å²	8	47.1 Å²	47.1	4%	0.042	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	130.7	175.1	-173.8	76.2	0	0	0	109.5	A187 F292 L338 I339 Q353 L540	A187-L334 HydrophobicContact CB-CD1 4.42Å; A187-L334 HydrophobicContact CB-CD2 3.39Å; F292-L334 HydrophobicContact CD1-CD1 4.2Å; F292-L334 HydrophobicContact CE1-CD1 3.63Å; F292-L334 HydrophobicContact CZ-CD1 4.23Å; L334-L338 HydrophobicContact CD1-CB 4.23Å; L334-L338 HydrophobicContact CD1-CD1 3.53Å; L334-L338 HydrophobicContact CG-CB 4.46Å; L334-L338 HydrophobicContact CG-CD1 4.34Å; L334-I339 HydrophobicContact CD2-CG1 4.21Å; L334-Q353 HydrophobicContact CB-CB 4.2Å; L334-Q353 HydrophobicContact CB-CG 4.34Å; L334-Q353 HydrophobicContact CD2-CB 4.5Å; L334-Q353 HydrophobicContact CD2-CG 4.26Å; L334-Q353 PolarHBondContact N-O 2.93Å; L334-L540 HydrophobicContact CD2-CD2 4.47Å
335	R	89.9	Confident	80	Confident	101 Å²	101	53 Å²	53	38%	0.381	28%	0.281	S	S	.	.	P	Polyproline II helix	trans	-72.1	140.9	173.8	-78.4	177.7	179.1	-93.9	4.6	111	T289 E290 K291 E337 L338	T289-R335 PolarHBondContact O-NE 2.83Å; T289-R335 PolarHBondContact O-NH2 3.31Å; E290-R335 VanDerWaalsContact C-CD 3.49Å; E290-R335 WeakPolarHBondContact O-CD 3.2Å; K291-R335 WeakPolarHBondContact O-CB 3.21Å; K291-R335 PolarHBondContact O-N 2.76Å; R335-E337 WeakPolarHBondContact CB-OE2 3.29Å; R335-E337 PolarHBondContact O-N 3.12Å; R335-L338 PolarHBondContact O-N 3.45Å
336	K	78.1	Confident	77.3	Confident	133 Å²	133	58.2 Å²	58.2	58%	0.578	32%	0.316	S	S	*	.	G	3₁₀ helix	trans	-65.5	-25.5	-171.1	-66.9	-174.7	177.3	-174.5	0	112.8	L338 I339	K336-L338 PolarHBondContact O-N 3.43Å; K336-I339 PolarHBondContact O-N 3.26Å
337	E	77.3	Confident	75	Confident	156 Å²	156	63.3 Å²	63.3	73%	0.729	34%	0.339	S	S	*	.	G	3₁₀ helix	trans	-65.7	-17.8	-179.2	-60.5	78.2	-171.9	0	0	113.1	R335	R335-E337 WeakPolarHBondContact CB-OE2 3.29Å; R335-E337 PolarHBondContact O-N 3.12Å
338	L	73.3	Confident	72.3	Confident	35 Å²	35	72.1 Å²	72.1	18%	0.183	39%	0.385	C	S	.	.	G	3₁₀ helix	trans	-85.3	-6.8	177.9	-81	165.5	0	0	0	115.1	K291 L334 R335 K336 E340	K291-L338 VanDerWaalsContact CA-CD1 3.47Å; K291-L338 HydrophobicContact CB-CD1 3.46Å; K291-L338 VanDerWaalsContact CB-CD1 3.46Å; K291-L338 HydrophobicContact CD-CD1 3.86Å; K291-L338 HydrophobicContact CD-CD2 3.73Å; K291-L338 HydrophobicContact CD-CG 4.41Å; K291-L338 HydrophobicContact CG-CD1 3.66Å; K291-L338 HydrophobicContact CG-CD2 4.03Å; K291-L338 HydrophobicContact CG-CG 4.3Å; K291-L338 WeakPolarHBondContact O-CD1 3.07Å; L334-L338 HydrophobicContact CD1-CB 4.23Å; L334-L338 HydrophobicContact CD1-CD1 3.53Å; L334-L338 HydrophobicContact CG-CB 4.46Å; L334-L338 HydrophobicContact CG-CD1 4.34Å; R335-L338 PolarHBondContact O-N 3.45Å; K336-L338 PolarHBondContact O-N 3.43Å; L338-E340 PolarHBondContact O-N 2.82Å
339	I	73.2	Confident	70	Confident	23 Å²	23	75 Å²	75	12%	0.118	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	106.1	-173.9	-59.9	175.1	0	0	0	108	P185 L334 K336 M341 M350 L542	P185-I339 HydrophobicContact CB-CG2 4.11Å; L334-I339 HydrophobicContact CD2-CG1 4.21Å; K336-I339 PolarHBondContact O-N 3.26Å; I339-M341 HydrophobicContact CG2-CG 4.46Å; I339-M341 PolarHBondContact O-N 2.94Å; I339-M350 HydrophobicContact CD1-CE 3.69Å; I339-M350 HydrophobicContact CD1-SD 3.93Å; I339-M350 HydrophobicContact CG2-CE 4.4Å; I339-L542 HydrophobicContact CB-CD1 4.21Å; I339-L542 HydrophobicContact CD1-CD1 3.91Å; I339-L542 HydrophobicContact CG1-CD1 3.83Å; I339-L542 HydrophobicContact CG2-CD1 3.45Å; I339-L542 VanDerWaalsContact CG2-CD1 3.45Å
340	E	66.6	Low	67.9	Low	122 Å²	122	77.6 Å²	77.6	57%	0.57	43%	0.428	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.5	116.6	175.1	-72	-174.2	-171.8	0	0	109	T186 L338	T186-E340 PolarHBondContact O-N 2.87Å; L338-E340 PolarHBondContact O-N 2.82Å
341	M	61.9	Low	66.3	Low	76 Å²	76	84.1 Å²	84.1	37%	0.374	46%	0.458	S	S	.	.			trans	-98.2	118.9	-178.7	-67.7	-158.2	62.2	0	0	110.8	I339 S343 K345	I339-M341 HydrophobicContact CG2-CG 4.46Å; I339-M341 PolarHBondContact O-N 2.94Å; M341-S343 PolarHBondContact O-N 3.26Å; M341-K345 WeakPolarHBondContact CE-O 3.25Å
342	S	52.7	Low	65.4	Low	76 Å²	76	89.7 Å²	89.7	53%	0.531	48%	0.482	S	S	.	.	S	Bend	trans	-71.7	-8.8	175.6	36.2	0	0	0	0	114.2	R182	R182-S342 WeakPolarHBondContact O-CB 3.19Å
343	S	48.4	Very low	64.9	Low	83 Å²	83	91.7 Å²	91.7	58%	0.58	49%	0.492	S	S	*	.	S	Bend	trans	-146	125.2	169.6	62.5	0	0	0	0	111.5	M341 K345	M341-S343 PolarHBondContact O-N 3.26Å; S343-K345 VanDerWaalsContact C-N 3.31Å; S343-K345 PolarHBondContact O-N 3.41Å
344	G	43.2	Very low	64.8	Low	82 Å²	82	90.1 Å²	90.1	85%	0.845	48%	0.484	S	S	*	.	S	Bend	trans	-72.3	58.9	-164.6	0	0	0	0	0	117.3
345	K	43.8	Very low	65	Low	163 Å²	163	89.7 Å²	89.7	71%	0.709	48%	0.482	S	S	*	.			trans	-128.4	120.6	162.4	-72.7	-171.2	179.7	-179.7	0	110.8	M341 S343 H347	M341-K345 WeakPolarHBondContact CE-O 3.25Å; S343-K345 VanDerWaalsContact C-N 3.31Å; S343-K345 PolarHBondContact O-N 3.41Å; K345-H347 PolarHBondContact O-N 2.8Å; K345-H347 VanDerWaalsContact O-N 3.1Å
346	P	42.3	Very low	65.4	Low	119 Å²	119	84.9 Å²	84.9	77%	0.773	46%	0.464	S	S	*	.			trans	-63.6	115.1	174.5	25	-30.9	0	0	0	109.2	L348	P346-L348 PolarHBondContact O-N 3.35Å; P346-L348 VanDerWaalsContact O-N 3.13Å
347	H	48.5	Very low	66.3	Low	108 Å²	108	78.6 Å²	78.6	50%	0.5	44%	0.437	S	S	.	.			trans	-73.1	106.4	170.8	-83.7	-70	0	0	0	108.9	K345 G349	K345-H347 PolarHBondContact O-N 2.8Å; K345-H347 VanDerWaalsContact O-N 3.1Å; H347-G349 PolarHBondContact O-N 2.85Å; H347-G349 VanDerWaalsContact O-N 3.11Å
348	L	41.2	Very low	67.4	Low	186 Å²	186	71.1 Å²	71.1	97%	0.974	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	110.1	168.7	-152.6	81.7	0	0	0	108	P346	P346-L348 PolarHBondContact O-N 3.35Å; P346-L348 VanDerWaalsContact O-N 3.13Å
349	G	50.6	Low	68.6	Low	60 Å²	60	69.5 Å²	69.5	62%	0.619	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	121.3	14.8	173.7	0	0	0	0	0	117.9	H347 E351	H347-G349 PolarHBondContact O-N 2.85Å; H347-G349 VanDerWaalsContact O-N 3.11Å; G349-E351 PolarHBondContact O-N 2.86Å; G349-E351 VanDerWaalsContact O-N 3.14Å
350	M	55.8	Low	69.8	Low	54 Å²	54	68.4 Å²	68.4	27%	0.266	39%	0.388	S	S	.	.	P	Polyproline II helix	trans	-59	120.8	171.9	-66.3	-169.7	76.4	0	0	111	I339 L542 L545	I339-M350 HydrophobicContact CD1-CE 3.69Å; I339-M350 HydrophobicContact CD1-SD 3.93Å; I339-M350 HydrophobicContact CG2-CE 4.4Å; M350-L542 HydrophobicContact CE-CD1 4.03Å; M350-L545 HydrophobicContact CG-CD1 4.37Å
351	E	64.3	Low	71.3	Confident	138 Å²	138	63.1 Å²	63.1	65%	0.645	36%	0.363	S	S	*	.	P	Polyproline II helix	trans	-57.1	155.4	169.9	-71.2	-172.9	163.7	0	0	110.4	G349 Q353	G349-E351 PolarHBondContact O-N 2.86Å; G349-E351 VanDerWaalsContact O-N 3.14Å; E351-Q353 PolarHBondContact O-N 3.23Å; E351-Q353 VanDerWaalsContact O-N 3.13Å
352	K	78.8	Confident	73	Confident	118 Å²	118	59.6 Å²	59.6	51%	0.513	35%	0.346	S	S	.	.	P	Polyproline II helix	trans	-59.2	117.8	177	-65.2	-172.2	162.2	-138.1	0	109.8	E333 L354 L394	E333-K352 VanDerWaalsContact OE1-CD 3.26Å; E333-K352 WeakPolarHBondContact OE1-CD 3.39Å; E333-K352 VanDerWaalsContact OE1-CE 3.23Å; E333-K352 WeakPolarHBondContact OE1-CE 3.21Å; E333-K352 VanDerWaalsContact OE1-CG 3.26Å; E333-K352 WeakPolarHBondContact OE1-CG 3.37Å; E333-K352 IonicContact OE1-NZ 3.19Å; E333-K352 PolarHBondContact OE1-NZ 3.33Å; E333-K352 IonicContact OE2-NZ 2.8Å; E333-K352 PolarHBondContact OE2-NZ 3.43Å; K352-L354 PolarHBondContact O-N 3.35Å; K352-L394 HydrophobicContact CB-CD2 4.24Å; K352-L394 HydrophobicContact CD-CD2 4.49Å
353	Q	87	Confident	75.1	Confident	42 Å²	42	56.8 Å²	56.8	20%	0.196	32%	0.324	C	S	.	.			trans	-85	115.7	174.8	-176.6	61.6	49.7	0	0	109.4	L334 E351 L540 L542	L334-Q353 HydrophobicContact CB-CB 4.2Å; L334-Q353 HydrophobicContact CB-CG 4.34Å; L334-Q353 HydrophobicContact CD2-CB 4.5Å; L334-Q353 HydrophobicContact CD2-CG 4.26Å; L334-Q353 PolarHBondContact N-O 2.93Å; E351-Q353 PolarHBondContact O-N 3.23Å; E351-Q353 VanDerWaalsContact O-N 3.13Å; Q353-L540 HydrophobicContact CG-CD2 3.67Å; Q353-L542 HydrophobicContact CB-CD2 4.38Å; Q353-L542 HydrophobicContact CG-CD2 3.64Å
354	L	92.3	Very high	77.4	Confident	9 Å²	9	59.8 Å²	59.8	5%	0.047	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	152.8	177.2	-57.7	-171.6	0	0	0	111.4	V295 L331 L332 E333 K352 L394 I405 P406	V295-L354 HydrophobicContact CG2-CD2 4.01Å; L331-L354 HydrophobicContact CD1-CB 4.1Å; L331-L354 HydrophobicContact CD1-CD1 4.07Å; L331-L354 HydrophobicContact CD2-CD1 3.92Å; L331-L354 HydrophobicContact CG-CD1 4.1Å; L332-L354 CarbonylContact O-C 3.52Å; L332-L354 VanDerWaalsContact O-CA 3.26Å; L332-L354 WeakPolarHBondContact O-CA 3.39Å; E333-L354 HydrophobicContact CB-CD2 3.72Å; E333-L354 HydrophobicContact CG-CD2 4.16Å; K352-L354 PolarHBondContact O-N 3.35Å; L354-L394 HydrophobicContact CD1-CD1 3.54Å; L354-L394 HydrophobicContact CD1-CG 4.38Å; L354-L394 HydrophobicContact CG-CD1 4.14Å; L354-I405 HydrophobicContact CB-CD1 4.39Å; L354-I405 HydrophobicContact CB-CG1 4.33Å; L354-I405 HydrophobicContact CB-CG2 4.06Å; L354-I405 HydrophobicContact CD1-CD1 4.04Å; L354-P406 VanDerWaalsContact O-CD 3.29Å; L354-P406 WeakPolarHBondContact O-CD 3.2Å
355	V	95.4	Very high	79.8	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	132.6	168	-178.5	0	0	0	0	107.6	F189 L332 V357 P406 V408 L540	F189-V355 HydrophobicContact CZ-CG1 4.45Å; L332-V355 PolarHBondContact N-O 3.3Å; L332-V355 PolarHBondContact O-N 2.74Å; V355-V357 HydrophobicContact CG1-CG2 4.43Å; V355-P406 HydrophobicContact CB-CG 4.38Å; V355-P406 HydrophobicContact CG1-CG 4.37Å; V355-P406 HydrophobicContact CG2-CG 3.96Å; V355-V408 HydrophobicContact CG1-CG2 4.38Å; V355-L540 HydrophobicContact CG2-CD2 3.86Å
356	L	97.9	Very high	82.2	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	127.4	170.9	-170.8	80.1	0	0	0	109.1	A329 V330 L331 V383 I386 I387 I405 P406 L407 V408	A329-L356 HydrophobicContact CB-CD1 4.38Å; V330-L356 WeakPolarHBondContact O-CD1 3.48Å; L331-L356 HydrophobicContact CB-CD1 4Å; L331-L356 HydrophobicContact CD1-CB 4.3Å; L331-L356 HydrophobicContact CD1-CD1 4Å; L356-V383 HydrophobicContact CD2-CB 4.39Å; L356-V383 HydrophobicContact CD2-CG1 3.53Å; L356-V383 HydrophobicContact CD2-CG2 4.48Å; L356-I386 HydrophobicContact CD1-CG2 3.86Å; L356-I387 HydrophobicContact CB-CD1 4.32Å; L356-I387 HydrophobicContact CB-CG1 4.32Å; L356-I387 HydrophobicContact CD2-CD1 3.73Å; L356-I387 HydrophobicContact CD2-CG1 3.8Å; L356-I405 HydrophobicContact CB-CG2 4.24Å; L356-P406 PolarHBondContact N-O 2.92Å; L356-L407 HydrophobicContact CB-CD1 4.43Å; L356-L407 HydrophobicContact CD2-CD1 4.03Å; L356-L407 HydrophobicContact CG-CD1 4.38Å; L356-L407 WeakPolarHBondContact O-CA 3.39Å; L356-V408 PolarHBondContact O-N 3.43Å
357	V	98.7	Very high	84.6	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	125	171.4	-174.6	0	0	0	0	108.6	I235 I285 A329 V330 L332 V355 V408	I235-V357 HydrophobicContact CD1-CG2 3.75Å; I235-V357 HydrophobicContact CG2-CG1 3.88Å; I235-V357 HydrophobicContact CG2-CG2 4.14Å; I285-V357 HydrophobicContact CD1-CB 4.5Å; I285-V357 HydrophobicContact CD1-CG1 4.14Å; I285-V357 WeakPolarHBondContact CD1-O 3.28Å; I285-V357 HydrophobicContact CG2-CG1 4.2Å; A329-V357 CarbonylContact C-O 3.49Å; A329-V357 VanDerWaalsContact CA-O 3.27Å; A329-V357 WeakPolarHBondContact CA-O 3.17Å; V330-V357 HydrophobicContact CG2-CB 3.99Å; V330-V357 PolarHBondContact N-O 2.9Å; V330-V357 PolarHBondContact O-N 3.15Å; L332-V357 HydrophobicContact CD1-CG2 3.96Å; V355-V357 HydrophobicContact CG1-CG2 4.43Å; V357-V408 CarbonylContact C-O 3.43Å; V357-V408 WeakPolarHBondContact CA-O 3.49Å
358	A	98.8	Very high	86.9	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	141.7	177.7	0	0	0	0	0	109.9	V328 A329 F379 V383 L407 V408 L409 C410	V328-A358 CarbonylContact O-C 3.51Å; V328-A358 WeakPolarHBondContact O-CA 3.45Å; A329-A358 HydrophobicContact CB-CB 4.41Å; A358-F379 HydrophobicContact CB-CE1 3.85Å; A358-F379 HydrophobicContact CB-CZ 3.71Å; A358-V383 HydrophobicContact CB-CG2 4.14Å; A358-L407 HydrophobicContact CB-CD1 3.88Å; A358-V408 PolarHBondContact N-O 3.05Å; A358-L409 HydrophobicContact CB-CD1 3.86Å; A358-C410 PolarHBondContact O-N 3.48Å
359	N	98.9	Very high	89.6	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	125.1	177.3	-180	11.5	0	0	0	110.2	L238 Q239 A284 I285 G327 V328 C410	L238-N359 PolarHBondContact N-ND2 2.85Å; L238-N359 PolarHBondContact O-ND2 3.42Å; Q239-N359 PolarHBondContact NE2-OD1 3Å; A284-N359 PolarHBondContact O-ND2 2.57Å; I285-N359 HydrophobicContact CD1-CB 3.73Å; I285-N359 HydrophobicContact CG1-CB 3.62Å; G327-N359 CarbonylContact C-O 3.47Å; G327-N359 VanDerWaalsContact CA-O 3.3Å; G327-N359 WeakPolarHBondContact CA-O 3.39Å; V328-N359 HydrophobicContact CG2-CB 3.88Å; V328-N359 PolarHBondContact N-O 3.47Å; V328-N359 PolarHBondContact O-N 3.36Å; N359-C410 WeakPolarHBondContact CA-O 3.37Å
360	A	98.5	Very high	91.7	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	156.5	178.1	0	0	0	0	0	113.4	F302 M362 F379 C410 A411 D412	F302-A360 HydrophobicContact CZ-CB 4.46Å; A360-M362 HydrophobicContact CB-CE 3.6Å; A360-M362 HydrophobicContact CB-SD 4.42Å; A360-F379 HydrophobicContact CB-CD1 3.85Å; A360-F379 HydrophobicContact CB-CE1 3.55Å; A360-F379 HydrophobicContact CB-CG 4.5Å; A360-F379 HydrophobicContact CB-CZ 3.99Å; A360-C410 PolarHBondContact N-O 3.34Å; A360-C410 VanDerWaalsContact N-O 3.15Å; A360-A411 HydrophobicContact CB-CB 4.33Å; A360-A411 VanDerWaalsContact O-CA 3.22Å; A360-A411 WeakPolarHBondContact O-CA 3.4Å; A360-A411 WeakPolarHBondContact O-CB 3.39Å; A360-D412 PolarHBondContact O-N 3.46Å; A360-D412 VanDerWaalsContact O-N 3.07Å
361	H	98.1	Very high	93.7	Very high	11 Å²	11	37.1 Å²	37.1	5%	0.051	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	102.6	171.1	-177.2	179.3	0	0	0	108.8	Q239 E240 N325 I326 D412 N414	Q239-H361 HydrophobicContact CB-CB 4.23Å; Q239-H361 HydrophobicContact CG-CB 4.11Å; E240-H361 IonicContact OE1-CE1 3.72Å; E240-H361 PolarHBondContact OE1-CE1 3.15Å; N325-H361 WeakPolarHBondContact CB-O 3.49Å; N325-H361 PolarHBondContact ND2-O 2.88Å; I326-H361 PolarHBondContact O-N 2.71Å; H361-D412 WeakPolarHBondContact CA-O 3.27Å; H361-D412 IonicContact CD2-OD2 3.84Å; H361-D412 IonicContact NE2-OD2 3.42Å; H361-N414 PolarHBondContact NE2-ND2 3.47Å
362	M	97.9	Very high	95.3	Very high	2 Å²	2	31.1 Å²	31.1	1%	0.01	15%	0.149	C	C	.	.			trans	-76.3	165.6	-176	-56.3	-54.2	174.3	0	0	112	F302 N325 A360 Q375 F379 D412 L413 N414	F302-M362 HydrophobicContact CE2-SD 3.75Å; F302-M362 HydrophobicContact CZ-CE 4.24Å; F302-M362 HydrophobicContact CZ-SD 4.06Å; N325-M362 VanDerWaalsContact ND2-C 3.27Å; N325-M362 PolarHBondContact ND2-O 2.95Å; A360-M362 HydrophobicContact CB-CE 3.6Å; A360-M362 HydrophobicContact CB-SD 4.42Å; M362-Q375 HydrophobicContact SD-CB 3.78Å; M362-F379 HydrophobicContact CE-CB 4.44Å; M362-F379 HydrophobicContact CE-CD1 4.26Å; M362-D412 PolarHBondContact N-O 3.1Å; M362-L413 HydrophobicContact CE-CD2 3.96Å; M362-L413 HydrophobicContact CG-CD2 3.82Å; M362-N414 PolarHBondContact O-ND2 3Å; M362-N414 VanDerWaalsContact O-ND2 3.1Å
363	H	97.9	Very high	96.2	Very high	18 Å²	18	25.5 Å²	25.5	8%	0.083	12%	0.124	C	C	.	.			trans	-58.4	140.8	177.2	-171.3	55.5	0	0	0	112	K323 N325 D365 Y368 V371 K372 N414	K323-H363 WeakPolarHBondContact CE-NE2 3.03Å; N325-H363 PolarHBondContact ND2-N 3.04Å; N325-H363 WeakPolarHBondContact OD1-CA 3.4Å; N325-H363 WeakPolarHBondContact OD1-CB 3.46Å; H363-D365 VanDerWaalsContact NE2-CB 3.33Å; H363-D365 WeakPolarHBondContact NE2-CB 3.33Å; H363-Y368 AromaticContact CD2-CG 3.95Å; H363-Y368 AromaticContact NE2-CG 3.93Å; H363-V371 HydrophobicContact CB-CG1 4.12Å; H363-K372 WeakPolarHBondContact O-CE 3.35Å; H363-K372 WeakPolarHBondContact O-CG 3.27Å; H363-N414 VanDerWaalsContact O-CB 3.28Å; H363-N414 WeakPolarHBondContact O-CB 3.36Å
364	W	94.9	Very high	96.6	Very high	146 Å²	146	23.5 Å²	23.5	55%	0.553	12%	0.115	S	C	*	.			trans	-87.7	-33.7	-169.7	69.5	-92.1	0	0	0	114.2	P366 K372	W364-P366 WeakPolarHBondContact O-CD 3.46Å; W364-K372 PolarHBondContact O-NZ 2.63Å
365	D	95.1	Very high	96.9	Very high	37 Å²	37	23.1 Å²	23.1	20%	0.198	11%	0.113	C	C	.	.			trans	-59.7	121	-167	-168.1	-29.7	0	0	0	112.1	H363 D367 Y368 K372	H363-D365 VanDerWaalsContact NE2-CB 3.33Å; H363-D365 WeakPolarHBondContact NE2-CB 3.33Å; D365-D367 PolarHBondContact O-N 3.27Å; D365-D367 VanDerWaalsContact O-N 3.16Å; D365-D367 WeakPolarHBondContact OD1-CB 3.09Å; D365-D367 PolarHBondContact OD1-N 2.74Å; D365-Y368 HydrophobicContact CB-CD2 3.62Å; D365-Y368 HydrophobicContact CB-CE2 4.31Å; D365-Y368 HydrophobicContact CB-CG 4.36Å; D365-Y368 VanDerWaalsContact CG-CD2 3.45Å; D365-Y368 PolarHBondContact O-N 2.91Å; D365-Y368 WeakPolarHBondContact OD2-CE2 3.34Å; D365-K372 WeakPolarHBondContact O-CE 3.29Å; D365-K372 PolarHBondContact O-NZ 2.97Å
366	P	92.7	Very high	97	Very high	72 Å²	72	23.1 Å²	23.1	47%	0.468	11%	0.113	S	C	.	.	G	3₁₀ helix	trans	-54.6	-29.2	177.2	-26.5	35.4	0	0	0	114	M1 W364 Y368	M1-P366 HydrophobicContact CE-CG 4.3Å; W364-P366 WeakPolarHBondContact O-CD 3.46Å; P366-Y368 PolarHBondContact O-N 3.08Å
367	D	93.7	Very high	96.9	Very high	104 Å²	104	23.1 Å²	23.1	56%	0.556	11%	0.113	S	C	*	.	G	3₁₀ helix	trans	-77.9	4.3	179.8	-71.9	-35.7	0	0	0	113.7	R319 D365 K438	R319-D367 PolarHBondContact NH2-O 2.77Å; D365-D367 PolarHBondContact O-N 3.27Å; D365-D367 VanDerWaalsContact O-N 3.16Å; D365-D367 WeakPolarHBondContact OD1-CB 3.09Å; D365-D367 PolarHBondContact OD1-N 2.74Å; D367-K438 VanDerWaalsContact C-NZ 3.28Å; D367-K438 WeakPolarHBondContact O-CE 3.47Å; D367-K438 PolarHBondContact O-NZ 2.76Å
368	Y	96.7	Very high	96.7	Very high	59 Å²	59	23.1 Å²	23.1	23%	0.231	11%	0.113	C	C	.	.	G	3₁₀ helix	trans	-124.8	42	-176.7	-73.1	-99.7	0	0	0	112.2	R319 H363 D365 P366 D370 V371 K372	R319-Y368 HydrophobicContact CB-CE1 4.45Å; H363-Y368 AromaticContact CD2-CG 3.95Å; H363-Y368 AromaticContact NE2-CG 3.93Å; D365-Y368 HydrophobicContact CB-CD2 3.62Å; D365-Y368 HydrophobicContact CB-CE2 4.31Å; D365-Y368 HydrophobicContact CB-CG 4.36Å; D365-Y368 VanDerWaalsContact CG-CD2 3.45Å; D365-Y368 PolarHBondContact O-N 2.91Å; D365-Y368 WeakPolarHBondContact OD2-CE2 3.34Å; P366-Y368 PolarHBondContact O-N 3.08Å; Y368-D370 WeakPolarHBondContact CA-OD1 3.45Å; Y368-D370 PolarHBondContact O-N 2.94Å; Y368-V371 HydrophobicContact CD1-CB 4.48Å; Y368-V371 HydrophobicContact CD1-CG2 3.66Å; Y368-V371 HydrophobicContact CG-CG2 4.42Å; Y368-V371 PolarHBondContact O-N 2.72Å; Y368-K372 WeakPolarHBondContact O-CG 3.11Å; Y368-K372 PolarHBondContact O-N 2.96Å; Y368-K372 VanDerWaalsContact O-N 3.12Å
369	S	96.9	Very high	96.7	Very high	23 Å²	23	23.1 Å²	23.1	16%	0.161	11%	0.113	C	C	.	.	H	α-helix	trans	-49.5	-38	171.9	57.5	0	0	0	0	112.9	K372 L373 D436 K438	S369-K372 PolarHBondContact O-N 2.79Å; S369-L373 WeakPolarHBondContact O-CB 3.43Å; S369-L373 PolarHBondContact O-N 3.17Å; S369-D436 CarbonylContact C-O 3.6Å; S369-D436 PolarHBondContact OG-O 2.76Å; S369-K438 VanDerWaalsContact OG-CE 3.28Å; S369-K438 WeakPolarHBondContact OG-CE 3.27Å
370	D	96	Very high	96.5	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-63.2	-46.2	178.3	59.9	-51.5	0	0	0	111.2	R319 Y368 K372 L373 V374 D436 L440 Y442	R319-D370 IonicContact CZ-OD1 3.14Å; R319-D370 IonicContact CZ-OD2 2.66Å; R319-D370 IonicContact NE-OD1 3.62Å; R319-D370 IonicContact NE-OD2 3.43Å; R319-D370 PolarHBondContact NE-OD2 3.05Å; R319-D370 IonicContact NH2-OD1 2.85Å; R319-D370 PolarHBondContact NH2-OD1 2.75Å; R319-D370 IonicContact NH2-OD2 3.3Å; Y368-D370 WeakPolarHBondContact CA-OD1 3.45Å; Y368-D370 PolarHBondContact O-N 2.94Å; D370-K372 PolarHBondContact O-N 3.11Å; D370-L373 PolarHBondContact O-N 3.15Å; D370-V374 VanDerWaalsContact O-CG2 3.31Å; D370-V374 WeakPolarHBondContact O-CG2 2.74Å; D370-V374 PolarHBondContact O-N 2.97Å; D370-D436 WeakPolarHBondContact CA-O 3.27Å; D370-D436 VanDerWaalsContact CB-O 3.29Å; D370-D436 WeakPolarHBondContact CB-O 3.48Å; D370-D436 PolarHBondContact N-O 3.27Å; D370-L440 HydrophobicContact CB-CD1 4.34Å; D370-L440 VanDerWaalsContact OD2-CD1 3.26Å; D370-L440 WeakPolarHBondContact OD2-CD1 3.35Å; D370-Y442 HydrophobicContact CB-CE2 3.89Å; D370-Y442 PolarHBondContact OD2-OH 2.88Å
371	V	97.1	Very high	96.3	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-64.8	-42.5	179.1	177.1	0	0	0	0	111.2	R319 V320 K323 H363 Y368 L373 V374 Q375	R319-V371 HydrophobicContact CB-CG2 3.93Å; V320-V371 HydrophobicContact CG2-CG2 4.07Å; K323-V371 HydrophobicContact CG-CG1 4.06Å; H363-V371 HydrophobicContact CB-CG1 4.12Å; Y368-V371 HydrophobicContact CD1-CB 4.48Å; Y368-V371 HydrophobicContact CD1-CG2 3.66Å; Y368-V371 HydrophobicContact CG-CG2 4.42Å; Y368-V371 PolarHBondContact O-N 2.72Å; V371-L373 VanDerWaalsContact C-N 3.29Å; V371-L373 PolarHBondContact O-N 2.87Å; V371-V374 PolarHBondContact O-N 2.85Å; V371-Q375 HydrophobicContact CG1-CG 4.1Å; V371-Q375 VanDerWaalsContact O-CB 3.32Å; V371-Q375 WeakPolarHBondContact O-CB 2.84Å; V371-Q375 VanDerWaalsContact O-CG 3.23Å; V371-Q375 WeakPolarHBondContact O-CG 3.13Å; V371-Q375 PolarHBondContact O-N 2.83Å
372	K	98.1	Very high	96.2	Very high	13 Å²	13	25.9 Å²	25.9	6%	0.057	13%	0.127	C	C	.	.	H	α-helix	trans	-59.2	-43.1	177.3	-61.3	176.2	-165.4	-170	0	111.1	H363 W364 D365 Y368 S369 D370 T376 N414 S415 V421	H363-K372 WeakPolarHBondContact O-CE 3.35Å; H363-K372 WeakPolarHBondContact O-CG 3.27Å; W364-K372 PolarHBondContact O-NZ 2.63Å; D365-K372 WeakPolarHBondContact O-CE 3.29Å; D365-K372 PolarHBondContact O-NZ 2.97Å; Y368-K372 WeakPolarHBondContact O-CG 3.11Å; Y368-K372 PolarHBondContact O-N 2.96Å; Y368-K372 VanDerWaalsContact O-N 3.12Å; S369-K372 PolarHBondContact O-N 2.79Å; D370-K372 PolarHBondContact O-N 3.11Å; K372-T376 WeakPolarHBondContact O-CB 3.42Å; K372-T376 PolarHBondContact O-N 3.06Å; K372-T376 VanDerWaalsContact O-N 3.08Å; K372-T376 PolarHBondContact O-OG1 2.92Å; K372-N414 HydrophobicContact CD-CB 4.4Å; K372-N414 WeakPolarHBondContact CD-O 3.48Å; K372-N414 PolarHBondContact NZ-O 3.08Å; K372-S415 WeakPolarHBondContact CD-OG 2.96Å; K372-V421 HydrophobicContact CB-CG2 3.99Å
373	L	97.2	Very high	96.1	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-66.5	-48.2	177.3	-175.7	53.6	0	0	0	112.5	S369 D370 V371 Q375 T376 M377 G420 V421 V430 D436 F437	S369-L373 WeakPolarHBondContact O-CB 3.43Å; S369-L373 PolarHBondContact O-N 3.17Å; D370-L373 PolarHBondContact O-N 3.15Å; V371-L373 VanDerWaalsContact C-N 3.29Å; V371-L373 PolarHBondContact O-N 2.87Å; L373-Q375 PolarHBondContact O-N 2.83Å; L373-T376 WeakPolarHBondContact O-CB 3.45Å; L373-T376 PolarHBondContact O-N 2.87Å; L373-M377 HydrophobicContact CD1-CE 3.79Å; L373-M377 HydrophobicContact CD2-CE 4.37Å; L373-M377 HydrophobicContact CG-CE 3.87Å; L373-M377 WeakPolarHBondContact O-CG 3.41Å; L373-M377 PolarHBondContact O-N 3.03Å; L373-G420 WeakPolarHBondContact CD1-O 3.27Å; L373-V421 HydrophobicContact CB-CG2 4.13Å; L373-V421 HydrophobicContact CD1-CG2 4.32Å; L373-V430 HydrophobicContact CD1-CG1 4.39Å; L373-V430 HydrophobicContact CD2-CG1 4.38Å; L373-D436 HydrophobicContact CD2-CB 4.17Å; L373-F437 HydrophobicContact CB-CE1 4.42Å; L373-F437 HydrophobicContact CD2-CD1 4.14Å; L373-F437 HydrophobicContact CD2-CD2 4.2Å; L373-F437 HydrophobicContact CD2-CE1 3.64Å; L373-F437 HydrophobicContact CD2-CE2 3.72Å; L373-F437 HydrophobicContact CD2-CG 4.4Å; L373-F437 HydrophobicContact CD2-CZ 3.42Å; L373-F437 VanDerWaalsContact CD2-CZ 3.42Å; L373-F437 HydrophobicContact CG-CE1 3.88Å; L373-F437 HydrophobicContact CG-CZ 3.84Å
374	V	95.8	Very high	95.9	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-62.2	-43.6	177.2	176.1	0	0	0	0	111.8	M316 V320 D370 V371 T376 M377 M378 F437 Y442 L446	M316-V374 HydrophobicContact CE-CG1 3.91Å; M316-V374 HydrophobicContact SD-CG1 3.92Å; V320-V374 HydrophobicContact CG1-CG1 3.99Å; V320-V374 HydrophobicContact CG2-CB 4.22Å; V320-V374 HydrophobicContact CG2-CG1 4.13Å; V320-V374 HydrophobicContact CG2-CG2 4.49Å; D370-V374 VanDerWaalsContact O-CG2 3.31Å; D370-V374 WeakPolarHBondContact O-CG2 2.74Å; D370-V374 PolarHBondContact O-N 2.97Å; V371-V374 PolarHBondContact O-N 2.85Å; V374-T376 VanDerWaalsContact C-N 3.28Å; V374-T376 PolarHBondContact O-N 2.88Å; V374-M377 PolarHBondContact O-N 3.39Å; V374-M378 HydrophobicContact CG1-CE 3.52Å; V374-M378 HydrophobicContact CG1-CG 4.33Å; V374-M378 HydrophobicContact CG1-SD 4.06Å; V374-M378 WeakPolarHBondContact O-CG 3.23Å; V374-M378 PolarHBondContact O-N 2.88Å; V374-F437 HydrophobicContact CG2-CE1 4Å; V374-Y442 HydrophobicContact CG2-CD1 4.41Å; V374-Y442 HydrophobicContact CG2-CE1 4.39Å; V374-L446 HydrophobicContact CG1-CD2 4.26Å; V374-L446 HydrophobicContact CG2-CD2 3.74Å
375	Q	97.6	Very high	95.8	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-59.4	-40.7	176.4	-75.5	178.7	-17.4	0	0	111.6	F302 N325 M362 V371 L373 M378 F379	F302-Q375 HydrophobicContact CB-CG 4.04Å; F302-Q375 HydrophobicContact CD2-CB 3.93Å; F302-Q375 HydrophobicContact CD2-CG 3.73Å; F302-Q375 HydrophobicContact CE2-CB 4.17Å; F302-Q375 HydrophobicContact CE2-CG 4.43Å; F302-Q375 HydrophobicContact CG-CB 4.23Å; F302-Q375 HydrophobicContact CG-CG 3.98Å; N325-Q375 PolarHBondContact OD1-NE2 3.4Å; M362-Q375 HydrophobicContact SD-CB 3.78Å; V371-Q375 HydrophobicContact CG1-CG 4.1Å; V371-Q375 VanDerWaalsContact O-CB 3.32Å; V371-Q375 WeakPolarHBondContact O-CB 2.84Å; V371-Q375 VanDerWaalsContact O-CG 3.23Å; V371-Q375 WeakPolarHBondContact O-CG 3.13Å; V371-Q375 PolarHBondContact O-N 2.83Å; L373-Q375 PolarHBondContact O-N 2.83Å; Q375-M378 PolarHBondContact O-N 3.5Å; Q375-F379 WeakPolarHBondContact O-CB 3.43Å; Q375-F379 PolarHBondContact O-N 3.33Å
376	T	98	Very high	95.7	Very high	1 Å²	1	22 Å²	22	1%	0.006	12%	0.115	C	C	.	.	H	α-helix	trans	-63.8	-43.3	176.6	-58.9	0	0	0	0	111.6	K372 L373 V374 F379 L380 V421 Y424 L425	K372-T376 WeakPolarHBondContact O-CB 3.42Å; K372-T376 PolarHBondContact O-N 3.06Å; K372-T376 VanDerWaalsContact O-N 3.08Å; K372-T376 PolarHBondContact O-OG1 2.92Å; L373-T376 WeakPolarHBondContact O-CB 3.45Å; L373-T376 PolarHBondContact O-N 2.87Å; V374-T376 VanDerWaalsContact C-N 3.28Å; V374-T376 PolarHBondContact O-N 2.88Å; T376-F379 PolarHBondContact O-N 3.24Å; T376-L380 HydrophobicContact CG2-CD1 4.11Å; T376-L380 WeakPolarHBondContact O-CD1 3.4Å; T376-L380 PolarHBondContact O-N 3.03Å; T376-V421 HydrophobicContact CG2-CG1 4.02Å; T376-V421 WeakPolarHBondContact OG1-CG1 3.38Å; T376-Y424 HydrophobicContact CG2-CD1 4.02Å; T376-Y424 HydrophobicContact CG2-CE1 4.35Å; T376-L425 HydrophobicContact CG2-CD1 4.12Å; T376-L425 HydrophobicContact CG2-CD2 3.77Å; T376-L425 HydrophobicContact CG2-CG 3.93Å
377	M	95.8	Very high	95.7	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-63.3	-45.9	176	-66.6	177.1	172.9	0	0	112.2	L373 V374 F379 L380 S381 Y424 V430 F437 L446 F449 I462	L373-M377 HydrophobicContact CD1-CE 3.79Å; L373-M377 HydrophobicContact CD2-CE 4.37Å; L373-M377 HydrophobicContact CG-CE 3.87Å; L373-M377 WeakPolarHBondContact O-CG 3.41Å; L373-M377 PolarHBondContact O-N 3.03Å; V374-M377 PolarHBondContact O-N 3.39Å; M377-F379 VanDerWaalsContact C-N 3.29Å; M377-F379 PolarHBondContact O-N 2.92Å; M377-L380 PolarHBondContact O-N 3Å; M377-S381 WeakPolarHBondContact O-CB 3.29Å; M377-S381 PolarHBondContact O-N 3.1Å; M377-Y424 HydrophobicContact CE-CD2 3.9Å; M377-Y424 HydrophobicContact CE-CE2 4.09Å; M377-Y424 HydrophobicContact CE-CG 4.37Å; M377-Y424 HydrophobicContact CG-CD1 4.33Å; M377-Y424 HydrophobicContact CG-CD2 4.45Å; M377-Y424 HydrophobicContact CG-CE1 3.9Å; M377-Y424 HydrophobicContact CG-CE2 4.07Å; M377-V430 HydrophobicContact CE-CG1 3.24Å; M377-F437 HydrophobicContact CE-CE2 4.44Å; M377-F437 HydrophobicContact CE-CZ 3.63Å; M377-F437 HydrophobicContact SD-CZ 4.1Å; M377-L446 HydrophobicContact SD-CD2 4.25Å; M377-F449 HydrophobicContact CB-CB 4.1Å; M377-I462 HydrophobicContact CE-CB 4.09Å; M377-I462 HydrophobicContact CE-CD1 3.78Å; M377-I462 HydrophobicContact CE-CG2 4.05Å; M377-I462 HydrophobicContact SD-CB 4.47Å; M377-I462 HydrophobicContact SD-CD1 3.79Å; M377-I462 HydrophobicContact SD-CG2 3.94Å
378	M	95.6	Very high	95.5	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-56.6	-45.2	174.5	-74.4	174.2	175.2	0	0	111.3	F302 L305 A306 M316 V320 V374 Q375 S381 E382 F449	F302-M378 HydrophobicContact CB-SD 4.41Å; F302-M378 HydrophobicContact CD1-CB 4.32Å; L305-M378 HydrophobicContact CB-CG 4.4Å; L305-M378 HydrophobicContact CB-SD 4.07Å; L305-M378 HydrophobicContact CD1-CB 3.96Å; A306-M378 VanDerWaalsContact CA-CE 3.44Å; A306-M378 HydrophobicContact CB-CE 3.69Å; A306-M378 HydrophobicContact CB-SD 4.45Å; M316-M378 HydrophobicContact CE-CE 4Å; M316-M378 HydrophobicContact SD-CE 3.4Å; M316-M378 WeakPolarHBondContact SD-CE 3.42Å; V320-M378 HydrophobicContact CG1-CE 4.04Å; V320-M378 HydrophobicContact CG1-SD 4.3Å; V374-M378 HydrophobicContact CG1-CE 3.52Å; V374-M378 HydrophobicContact CG1-CG 4.33Å; V374-M378 HydrophobicContact CG1-SD 4.06Å; V374-M378 WeakPolarHBondContact O-CG 3.23Å; V374-M378 PolarHBondContact O-N 2.88Å; Q375-M378 PolarHBondContact O-N 3.5Å; M378-S381 PolarHBondContact O-N 3.12Å; M378-E382 PolarHBondContact O-N 2.95Å; M378-E382 VanDerWaalsContact O-N 3.09Å; M378-F449 HydrophobicContact CE-CE1 4.29Å; M378-F449 HydrophobicContact CE-CE2 3.61Å; M378-F449 HydrophobicContact CE-CZ 3.39Å; M378-F449 HydrophobicContact CG-CD1 3.95Å; M378-F449 HydrophobicContact CG-CD2 4.21Å; M378-F449 HydrophobicContact CG-CE1 3.63Å; M378-F449 HydrophobicContact CG-CE2 3.91Å; M378-F449 HydrophobicContact CG-CG 4.22Å; M378-F449 HydrophobicContact CG-CZ 3.6Å; M378-F449 HydrophobicContact SD-CZ 4.31Å
379	F	97.7	Very high	95.2	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-64.4	-47	-178.8	-168	-136.3	0	0	0	112.2	V300 F302 A358 A360 M362 Q375 T376 M377 S381 E382 V383 L409	V300-F379 HydrophobicContact CB-CD2 3.93Å; V300-F379 HydrophobicContact CB-CE2 4.12Å; V300-F379 HydrophobicContact CG1-CD2 4.13Å; V300-F379 HydrophobicContact CG2-CD2 3.94Å; V300-F379 HydrophobicContact CG2-CE2 3.9Å; F302-F379 HydrophobicContact CE1-CB 3.65Å; F302-F379 AromaticContact CE1-CD2 3.91Å; F302-F379 HydrophobicContact CE1-CD2 3.91Å; F302-F379 HydrophobicContact CE1-CG 4.05Å; F302-F379 HydrophobicContact CZ-CB 3.95Å; F302-F379 HydrophobicContact CZ-CD2 4.14Å; F302-F379 HydrophobicContact CZ-CG 4.1Å; A358-F379 HydrophobicContact CB-CE1 3.85Å; A358-F379 HydrophobicContact CB-CZ 3.71Å; A360-F379 HydrophobicContact CB-CD1 3.85Å; A360-F379 HydrophobicContact CB-CE1 3.55Å; A360-F379 HydrophobicContact CB-CG 4.5Å; A360-F379 HydrophobicContact CB-CZ 3.99Å; M362-F379 HydrophobicContact CE-CB 4.44Å; M362-F379 HydrophobicContact CE-CD1 4.26Å; Q375-F379 WeakPolarHBondContact O-CB 3.43Å; Q375-F379 PolarHBondContact O-N 3.33Å; T376-F379 PolarHBondContact O-N 3.24Å; M377-F379 VanDerWaalsContact C-N 3.29Å; M377-F379 PolarHBondContact O-N 2.92Å; F379-S381 VanDerWaalsContact C-N 3.33Å; F379-S381 PolarHBondContact O-N 3.15Å; F379-E382 PolarHBondContact O-N 2.94Å; F379-V383 HydrophobicContact CD2-CG2 4.31Å; F379-V383 HydrophobicContact CE1-CG2 4.5Å; F379-V383 HydrophobicContact CE2-CG2 4.11Å; F379-V383 HydrophobicContact CZ-CG2 4.23Å; F379-V383 WeakPolarHBondContact O-CB 3.33Å; F379-V383 VanDerWaalsContact O-CG2 3.3Å; F379-V383 WeakPolarHBondContact O-CG2 3.29Å; F379-V383 PolarHBondContact O-N 3.44Å; F379-L409 HydrophobicContact CD1-CD1 3.99Å; F379-L409 HydrophobicContact CE1-CD1 3.47Å; F379-L409 VanDerWaalsContact CE1-CD1 3.47Å
380	L	95.8	Very high	94.8	Very high	2 Å²	2	18.6 Å²	18.6	1%	0.01	9%	0.09	C	C	.	.	H	α-helix	trans	-65.4	-36.7	178.9	-95.2	74.8	0	0	0	112.4	T376 M377 V383 K384 L409 Y424 L425 H464 F466 L468	T376-L380 HydrophobicContact CG2-CD1 4.11Å; T376-L380 WeakPolarHBondContact O-CD1 3.4Å; T376-L380 PolarHBondContact O-N 3.03Å; M377-L380 PolarHBondContact O-N 3Å; L380-V383 PolarHBondContact O-N 3.42Å; L380-K384 WeakPolarHBondContact O-CB 3.37Å; L380-K384 PolarHBondContact O-N 3.09Å; L380-L409 HydrophobicContact CD1-CD2 4.07Å; L380-Y424 HydrophobicContact CB-CE1 4.41Å; L380-Y424 HydrophobicContact CD2-CE1 3.85Å; L380-L425 HydrophobicContact CD1-CD2 3.5Å; L380-L425 HydrophobicContact CD2-CD2 3.65Å; L380-L425 HydrophobicContact CG-CD2 4.22Å; L380-H464 HydrophobicContact CD2-CB 4.27Å; L380-F466 HydrophobicContact CB-CE2 4.18Å; L380-F466 HydrophobicContact CD2-CD2 3.84Å; L380-F466 HydrophobicContact CD2-CE2 4.24Å; L380-F466 HydrophobicContact CG-CD2 4.2Å; L380-F466 HydrophobicContact CG-CE2 4.14Å; L380-L468 HydrophobicContact CD2-CD1 4.23Å
381	S	94.3	Very high	94.4	Very high	12 Å²	12	20.4 Å²	20.4	8%	0.084	10%	0.103	C	C	.	.	H	α-helix	trans	-60.8	-46.8	174.6	-173.1	0	0	0	0	111.7	M377 M378 F379 K384 N385	M377-S381 WeakPolarHBondContact O-CB 3.29Å; M377-S381 PolarHBondContact O-N 3.1Å; M378-S381 PolarHBondContact O-N 3.12Å; F379-S381 VanDerWaalsContact C-N 3.33Å; F379-S381 PolarHBondContact O-N 3.15Å; S381-K384 WeakPolarHBondContact O-CB 3.44Å; S381-K384 PolarHBondContact O-N 3.3Å; S381-N385 PolarHBondContact O-N 3.25Å; S381-N385 PolarHBondContact O-ND2 3.11Å
382	E	95.6	Very high	93.8	Very high	55 Å²	55	28.3 Å²	28.3	26%	0.257	13%	0.133	S	C	.	.	H	α-helix	trans	-69	-38.6	177	-78	-52.4	109.7	0	0	113.2	V300 L305 M378 F379 K384 N385 I386	V300-E382 HydrophobicContact CG1-CB 4.07Å; V300-E382 HydrophobicContact CG1-CG 4.02Å; V300-E382 HydrophobicContact CG2-CB 3.93Å; L305-E382 HydrophobicContact CD1-CG 3.62Å; L305-E382 HydrophobicContact CD2-CG 4.04Å; L305-E382 HydrophobicContact CG-CG 4.46Å; M378-E382 PolarHBondContact O-N 2.95Å; M378-E382 VanDerWaalsContact O-N 3.09Å; F379-E382 PolarHBondContact O-N 2.94Å; E382-K384 PolarHBondContact O-N 3.25Å; E382-N385 WeakPolarHBondContact O-CB 3.48Å; E382-N385 PolarHBondContact O-N 3.42Å; E382-N385 VanDerWaalsContact O-N 3.1Å; E382-N385 PolarHBondContact OE1-ND2 3.1Å; E382-I386 WeakPolarHBondContact O-CG1 3.19Å; E382-I386 PolarHBondContact O-N 3.27Å
383	V	95.6	Very high	92.9	Very high	2 Å²	2	32.5 Å²	32.5	1%	0.012	16%	0.163	C	C	.	.	H	α-helix	trans	-57.6	-40.7	172.2	160.7	0	0	0	0	111	L356 A358 F379 L380 I386 I387 L407 F466	L356-V383 HydrophobicContact CD2-CB 4.39Å; L356-V383 HydrophobicContact CD2-CG1 3.53Å; L356-V383 HydrophobicContact CD2-CG2 4.48Å; A358-V383 HydrophobicContact CB-CG2 4.14Å; F379-V383 HydrophobicContact CD2-CG2 4.31Å; F379-V383 HydrophobicContact CE1-CG2 4.5Å; F379-V383 HydrophobicContact CE2-CG2 4.11Å; F379-V383 HydrophobicContact CZ-CG2 4.23Å; F379-V383 WeakPolarHBondContact O-CB 3.33Å; F379-V383 VanDerWaalsContact O-CG2 3.3Å; F379-V383 WeakPolarHBondContact O-CG2 3.29Å; F379-V383 PolarHBondContact O-N 3.44Å; L380-V383 PolarHBondContact O-N 3.42Å; V383-I386 PolarHBondContact O-N 3.25Å; V383-I387 HydrophobicContact CG1-CD1 4.18Å; V383-I387 PolarHBondContact O-N 3.48Å; V383-L407 HydrophobicContact CG1-CD1 3.99Å; V383-L407 HydrophobicContact CG1-CD2 3.76Å; V383-F466 HydrophobicContact CG1-CE1 4.21Å; V383-F466 HydrophobicContact CG1-CE2 4.5Å; V383-F466 HydrophobicContact CG1-CZ 3.81Å
384	K	93.8	Very high	91.7	Very high	52 Å²	52	36 Å²	36	23%	0.226	18%	0.182	C	C	.	.	H	α-helix	trans	-62.9	-46.1	173.3	177	167.8	172.4	39.8	0	111.6	L380 S381 E382 I386 I387 D388 C451 F466	L380-K384 WeakPolarHBondContact O-CB 3.37Å; L380-K384 PolarHBondContact O-N 3.09Å; S381-K384 WeakPolarHBondContact O-CB 3.44Å; S381-K384 PolarHBondContact O-N 3.3Å; E382-K384 PolarHBondContact O-N 3.25Å; K384-I386 PolarHBondContact O-N 3.28Å; K384-I387 PolarHBondContact O-N 3.22Å; K384-I387 VanDerWaalsContact O-N 3.13Å; K384-D388 WeakPolarHBondContact CE-OD2 3.2Å; K384-D388 VanDerWaalsContact NZ-CG 3.31Å; K384-D388 IonicContact NZ-OD1 3.62Å; K384-D388 PolarHBondContact NZ-OD1 3.29Å; K384-D388 VanDerWaalsContact NZ-OD1 3.08Å; K384-D388 IonicContact NZ-OD2 3.31Å; K384-D388 PolarHBondContact NZ-OD2 3.46Å; K384-D388 WeakPolarHBondContact O-CB 3.21Å; K384-D388 PolarHBondContact O-N 2.9Å; K384-C451 HydrophobicContact CD-CB 3.47Å; K384-C451 VanDerWaalsContact CD-CB 3.47Å; K384-C451 WeakPolarHBondContact CD-O 3.4Å; K384-C451 WeakPolarHBondContact CE-O 3.41Å; K384-F466 HydrophobicContact CB-CE2 4.19Å; K384-F466 HydrophobicContact CB-CZ 3.69Å
385	N	92.6	Very high	90.2	Very high	60 Å²	60	39.7 Å²	39.7	32%	0.321	20%	0.198	S	C	.	.	H	α-helix	trans	-57.7	-38.3	177.7	-73.3	-28.7	0	0	0	112	S381 E382 K389	S381-N385 PolarHBondContact O-N 3.25Å; S381-N385 PolarHBondContact O-ND2 3.11Å; E382-N385 WeakPolarHBondContact O-CB 3.48Å; E382-N385 PolarHBondContact O-N 3.42Å; E382-N385 VanDerWaalsContact O-N 3.1Å; E382-N385 PolarHBondContact OE1-ND2 3.1Å; N385-K389 WeakPolarHBondContact O-CB 3.25Å; N385-K389 VanDerWaalsContact O-CG 3.22Å; N385-K389 WeakPolarHBondContact O-CG 3.46Å; N385-K389 PolarHBondContact O-N 2.89Å
386	I	93.4	Very high	87.8	Confident	7 Å²	7	45.8 Å²	45.8	4%	0.036	24%	0.238	C	C	.	.	H	α-helix	trans	-64.3	-49.2	174.9	-65.3	162.3	0	0	0	110.7	H298 A329 L356 E382 V383 K384 D388 K389 A390	H298-I386 HydrophobicContact CB-CD1 3.58Å; H298-I386 HydrophobicContact CB-CG1 4.39Å; A329-I386 HydrophobicContact CB-CD1 4.12Å; L356-I386 HydrophobicContact CD1-CG2 3.86Å; E382-I386 WeakPolarHBondContact O-CG1 3.19Å; E382-I386 PolarHBondContact O-N 3.27Å; V383-I386 PolarHBondContact O-N 3.25Å; K384-I386 PolarHBondContact O-N 3.28Å; I386-D388 PolarHBondContact O-N 3.12Å; I386-K389 PolarHBondContact O-N 2.98Å; I386-A390 WeakPolarHBondContact O-CB 3.26Å; I386-A390 PolarHBondContact O-N 2.99Å
387	I	92.3	Very high	85.1	Confident	6 Å²	6	49.2 Å²	49.2	3%	0.031	27%	0.273	C	S	.	.	H	α-helix	trans	-62	-42.8	179.4	-75.2	164.5	0	0	0	111.6	L356 V383 K384 A390 S391 I405 F466	L356-I387 HydrophobicContact CB-CD1 4.32Å; L356-I387 HydrophobicContact CB-CG1 4.32Å; L356-I387 HydrophobicContact CD2-CD1 3.73Å; L356-I387 HydrophobicContact CD2-CG1 3.8Å; V383-I387 HydrophobicContact CG1-CD1 4.18Å; V383-I387 PolarHBondContact O-N 3.48Å; K384-I387 PolarHBondContact O-N 3.22Å; K384-I387 VanDerWaalsContact O-N 3.13Å; I387-A390 PolarHBondContact O-N 3.42Å; I387-S391 VanDerWaalsContact O-CB 3.29Å; I387-S391 WeakPolarHBondContact O-CB 3.46Å; I387-S391 PolarHBondContact O-N 3Å; I387-S391 PolarHBondContact O-OG 3.34Å; I387-I405 HydrophobicContact CG1-CB 4.28Å; I387-I405 HydrophobicContact CG2-CB 4.1Å; I387-I405 HydrophobicContact CG2-CD1 4.43Å; I387-I405 HydrophobicContact CG2-CG1 4.5Å; I387-F466 HydrophobicContact CD1-CE1 3.66Å; I387-F466 HydrophobicContact CD1-CZ 4.41Å
388	D	90.6	Very high	82.4	Confident	53 Å²	53	55 Å²	55	28%	0.283	31%	0.308	S	S	.	.	H	α-helix	trans	-67.7	-37	-180	-70.3	-13.4	0	0	0	111.6	K384 I386 R392	K384-D388 WeakPolarHBondContact CE-OD2 3.2Å; K384-D388 VanDerWaalsContact NZ-CG 3.31Å; K384-D388 IonicContact NZ-OD1 3.62Å; K384-D388 PolarHBondContact NZ-OD1 3.29Å; K384-D388 VanDerWaalsContact NZ-OD1 3.08Å; K384-D388 IonicContact NZ-OD2 3.31Å; K384-D388 PolarHBondContact NZ-OD2 3.46Å; K384-D388 WeakPolarHBondContact O-CB 3.21Å; K384-D388 PolarHBondContact O-N 2.9Å; I386-D388 PolarHBondContact O-N 3.12Å; D388-R392 WeakPolarHBondContact O-CG 3.16Å; D388-R392 PolarHBondContact O-N 3.03Å; D388-R392 PolarHBondContact O-NE 3.16Å
389	K	89.9	Confident	79.5	Confident	123 Å²	123	61.3 Å²	61.3	54%	0.535	35%	0.352	S	S	.	.	H	α-helix	trans	-66	-46.1	172.9	-75.1	171.7	-175.6	172.4	0	111.5	N385 I386 R392 S393	N385-K389 WeakPolarHBondContact O-CB 3.25Å; N385-K389 VanDerWaalsContact O-CG 3.22Å; N385-K389 WeakPolarHBondContact O-CG 3.46Å; N385-K389 PolarHBondContact O-N 2.89Å; I386-K389 PolarHBondContact O-N 2.98Å; K389-R392 PolarHBondContact O-N 3.13Å; K389-S393 PolarHBondContact O-N 2.96Å
390	A	89	Confident	76.5	Confident	4 Å²	4	63.5 Å²	63.5	3%	0.033	38%	0.375	C	S	.	.	H	α-helix	trans	-63.7	-42.9	178.4	0	0	0	0	0	112.3	L331 I386 I387 R392 S393 L394 I405	L331-A390 HydrophobicContact CD2-CB 3.54Å; I386-A390 WeakPolarHBondContact O-CB 3.26Å; I386-A390 PolarHBondContact O-N 2.99Å; I387-A390 PolarHBondContact O-N 3.42Å; A390-R392 VanDerWaalsContact C-N 3.35Å; A390-R392 PolarHBondContact O-N 2.8Å; A390-S393 WeakPolarHBondContact O-CB 3.16Å; A390-S393 PolarHBondContact O-N 3.14Å; A390-S393 VanDerWaalsContact O-N 3.16Å; A390-L394 PolarHBondContact O-N 3.17Å; A390-I405 HydrophobicContact CB-CD1 3.65Å
391	S	86.6	Confident	73.8	Confident	39 Å²	39	73 Å²	73	27%	0.273	42%	0.419	S	S	.	.	H	α-helix	trans	-63.2	-39.7	179.6	-58.2	0	0	0	0	112.1	I387 S393 L394 K395	I387-S391 VanDerWaalsContact O-CB 3.29Å; I387-S391 WeakPolarHBondContact O-CB 3.46Å; I387-S391 PolarHBondContact O-N 3Å; I387-S391 PolarHBondContact O-OG 3.34Å; S391-S393 VanDerWaalsContact C-N 3.33Å; S391-S393 PolarHBondContact O-N 2.89Å; S391-L394 PolarHBondContact O-N 2.77Å; S391-K395 PolarHBondContact O-N 3.32Å
392	R	84.4	Confident	71.3	Confident	166 Å²	166	76.9 Å²	76.9	63%	0.626	44%	0.439	S	S	*	.	H	α-helix	trans	-64.6	-35.3	174.4	-77.6	179.5	-72.4	-156.3	-1.1	112.9	D388 K389 A390 L394	D388-R392 WeakPolarHBondContact O-CG 3.16Å; D388-R392 PolarHBondContact O-N 3.03Å; D388-R392 PolarHBondContact O-NE 3.16Å; K389-R392 PolarHBondContact O-N 3.13Å; A390-R392 VanDerWaalsContact C-N 3.35Å; A390-R392 PolarHBondContact O-N 2.8Å; R392-L394 VanDerWaalsContact C-N 3.27Å; R392-L394 PolarHBondContact O-N 3.05Å
393	S	78.9	Confident	69.4	Low	100 Å²	100	77.4 Å²	77.4	70%	0.699	46%	0.459	S	S	*	.	H	α-helix	trans	-69.8	-24.1	176.7	-171.7	0	0	0	0	113.2	K389 A390 S391	K389-S393 PolarHBondContact O-N 2.96Å; A390-S393 WeakPolarHBondContact O-CB 3.16Å; A390-S393 PolarHBondContact O-N 3.14Å; A390-S393 VanDerWaalsContact O-N 3.16Å; S391-S393 VanDerWaalsContact C-N 3.33Å; S391-S393 PolarHBondContact O-N 2.89Å
394	L	73.3	Confident	68.5	Low	74 Å²	74	82.1 Å²	82.1	39%	0.387	49%	0.488	S	S	.	.	H	α-helix	trans	-85.1	-27.4	179.4	-76.4	166.7	0	0	0	113.3	K352 L354 A390 S391 R392	K352-L394 HydrophobicContact CB-CD2 4.24Å; K352-L394 HydrophobicContact CD-CD2 4.49Å; L354-L394 HydrophobicContact CD1-CD1 3.54Å; L354-L394 HydrophobicContact CD1-CG 4.38Å; L354-L394 HydrophobicContact CG-CD1 4.14Å; A390-L394 PolarHBondContact O-N 3.17Å; S391-L394 PolarHBondContact O-N 2.77Å; R392-L394 VanDerWaalsContact C-N 3.27Å; R392-L394 PolarHBondContact O-N 3.05Å
395	K	63.4	Low	68.3	Low	78 Å²	78	80.2 Å²	80.2	34%	0.339	48%	0.48	S	S	.	.			trans	-128.6	85	-172.8	-65.4	-175.3	-178.6	177.5	0	113.1	S391 G397 L402	S391-K395 PolarHBondContact O-N 3.32Å; K395-G397 PolarHBondContact O-N 3.2Å; K395-G397 VanDerWaalsContact O-N 3.17Å; K395-L402 PolarHBondContact NZ-O 3.49Å
396	P	46.5	Very low	68.4	Low	128 Å²	128	77.5 Å²	77.5	83%	0.831	47%	0.465	S	S	*	.	S	Bend	trans	-79.4	91.1	163.3	29.2	-23.9	0	0	0	109.2
397	G	42.5	Very low	68.6	Low	73 Å²	73	77.2 Å²	77.2	75%	0.753	46%	0.464	S	S	*	.	S	Bend	trans	119	14.8	154.7	0	0	0	0	0	121	K395	K395-G397 PolarHBondContact O-N 3.2Å; K395-G397 VanDerWaalsContact O-N 3.17Å
398	V	38.7	Very low	68.9	Low	121 Å²	121	76.9 Å²	76.9	73%	0.733	46%	0.462	S	S	*	.			trans	-133.5	110.3	170.1	-173.6	0	0	0	0	111.3	G400	V398-G400 PolarHBondContact O-N 2.96Å
399	S	35.6	Very low	69.3	Low	132 Å²	132	74.6 Å²	74.6	92%	0.923	45%	0.45	S	S	*	.			trans	-71.9	94.3	166	39.7	0	0	0	0	109.5
400	G	33.9	Very low	69.7	Low	47 Å²	47	68.7 Å²	68.7	49%	0.485	42%	0.424	S	S	.	.			trans	-155.7	130.4	172.4	0	0	0	0	0	110.5	V398 L402	V398-G400 PolarHBondContact O-N 2.96Å; G400-L402 PolarHBondContact O-N 2.75Å
401	E	38.7	Very low	70.2	Confident	201 Å²	201	68.6 Å²	68.6	94%	0.939	42%	0.423	S	S	*	.			trans	-61.6	91.4	178.9	-70.6	-178.2	143.6	0	0	111.3
402	L	40.9	Very low	70.7	Confident	94 Å²	94	66.8 Å²	66.8	49%	0.492	41%	0.411	S	S	.	.			trans	-133.3	106.2	164.7	-135.9	83.6	0	0	0	108.9	K395 G400 P543	K395-L402 PolarHBondContact NZ-O 3.49Å; G400-L402 PolarHBondContact O-N 2.75Å; L402-P543 HydrophobicContact CD2-CB 4.29Å; L402-P543 HydrophobicContact CD2-CG 4.45Å; L402-P543 HydrophobicContact CG-CB 4.46Å
403	G	55.9	Low	71.4	Confident	66 Å²	66	59 Å²	59	68%	0.68	38%	0.381	S	S	*	.			trans	51.3	101.3	162.6	0	0	0	0	0	118.5
404	T	76.9	Confident	72.3	Confident	100 Å²	100	55.5 Å²	55.5	61%	0.613	36%	0.355	S	S	*	.	P	Polyproline II helix	trans	-59.3	145.1	160.7	44.5	0	0	0	0	110	Q499	T404-Q499 PolarHBondContact O-NE2 3.32Å; T404-Q499 PolarHBondContact OG1-NE2 3.08Å
405	I	90.8	Very high	73.5	Confident	13 Å²	13	52.3 Å²	52.3	7%	0.067	34%	0.339	C	S	.	.	P	Polyproline II helix	trans	-58.4	123	177.1	-61.7	170	0	0	0	108	L331 L354 L356 I387 A390	L331-I405 HydrophobicContact CD1-CD1 4.25Å; L331-I405 HydrophobicContact CD1-CG2 4.03Å; L354-I405 HydrophobicContact CB-CD1 4.39Å; L354-I405 HydrophobicContact CB-CG1 4.33Å; L354-I405 HydrophobicContact CB-CG2 4.06Å; L354-I405 HydrophobicContact CD1-CD1 4.04Å; L356-I405 HydrophobicContact CB-CG2 4.24Å; I387-I405 HydrophobicContact CG1-CB 4.28Å; I387-I405 HydrophobicContact CG2-CB 4.1Å; I387-I405 HydrophobicContact CG2-CD1 4.43Å; I387-I405 HydrophobicContact CG2-CG1 4.5Å; A390-I405 HydrophobicContact CB-CD1 3.65Å
406	P	94.3	Very high	75.1	Confident	2 Å²	2	51.9 Å²	51.9	1%	0.013	34%	0.34	C	S	.	.	P	Polyproline II helix	trans	-65.2	142.5	179.6	28.3	-36.8	0	0	0	111	L354 V355 L356 Q499 L500 L540	L354-P406 VanDerWaalsContact O-CD 3.29Å; L354-P406 WeakPolarHBondContact O-CD 3.2Å; V355-P406 HydrophobicContact CB-CG 4.38Å; V355-P406 HydrophobicContact CG1-CG 4.37Å; V355-P406 HydrophobicContact CG2-CG 3.96Å; L356-P406 PolarHBondContact N-O 2.92Å; P406-Q499 HydrophobicContact CB-CB 3.91Å; P406-Q499 HydrophobicContact CB-CG 4.41Å; P406-L500 HydrophobicContact CB-CD1 3.92Å; P406-L500 HydrophobicContact CB-CG 4.09Å; P406-L540 HydrophobicContact CB-CD1 4.23Å; P406-L540 HydrophobicContact CG-CD1 3.78Å
407	L	97.2	Very high	77.5	Confident	1 Å²	1	48.9 Å²	48.9	1%	0.005	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	133.3	176.7	171.8	62.2	0	0	0	110.3	L356 A358 V383 L409 F466 L468 Y495 S496	L356-L407 HydrophobicContact CB-CD1 4.43Å; L356-L407 HydrophobicContact CD2-CD1 4.03Å; L356-L407 HydrophobicContact CG-CD1 4.38Å; L356-L407 WeakPolarHBondContact O-CA 3.39Å; A358-L407 HydrophobicContact CB-CD1 3.88Å; V383-L407 HydrophobicContact CG1-CD1 3.99Å; V383-L407 HydrophobicContact CG1-CD2 3.76Å; L407-L409 HydrophobicContact CD1-CB 4.45Å; L407-L409 HydrophobicContact CD2-CB 4.48Å; L407-L409 HydrophobicContact CG-CB 4.31Å; L407-F466 HydrophobicContact CB-CD1 4.44Å; L407-F466 HydrophobicContact CD2-CD1 3.89Å; L407-F466 HydrophobicContact CD2-CE1 4.08Å; L407-F466 HydrophobicContact CD2-CG 4.12Å; L407-F466 HydrophobicContact CD2-CZ 4.45Å; L407-L468 HydrophobicContact CD2-CD2 4.14Å; L407-L468 HydrophobicContact CG-CD2 4.43Å; L407-Y495 WeakPolarHBondContact O-CA 3.49Å; L407-S496 WeakPolarHBondContact CB-OG 3.46Å; L407-S496 PolarHBondContact N-OG 3.11Å; L407-S496 PolarHBondContact O-N 3.2Å
408	V	98.6	Very high	80.1	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	119.4	159	-179.3	0	0	0	0	107.7	F189 V191 V355 L356 V357 A358 I493 F494 L500 L538	F189-V408 HydrophobicContact CE2-CG2 4.28Å; F189-V408 HydrophobicContact CZ-CG2 4.25Å; V191-V408 HydrophobicContact CG1-CG1 3.99Å; V191-V408 HydrophobicContact CG2-CG1 4.17Å; V355-V408 HydrophobicContact CG1-CG2 4.38Å; L356-V408 PolarHBondContact O-N 3.43Å; V357-V408 CarbonylContact C-O 3.43Å; V357-V408 WeakPolarHBondContact CA-O 3.49Å; A358-V408 PolarHBondContact N-O 3.05Å; V408-I493 HydrophobicContact CG1-CG2 4.27Å; V408-F494 CarbonylContact C-O 3.55Å; V408-F494 WeakPolarHBondContact CA-O 3.49Å; V408-L500 HydrophobicContact CG2-CD1 3.7Å; V408-L538 HydrophobicContact CG1-CD1 4.32Å; V408-L538 HydrophobicContact CG2-CD1 3.72Å
409	L	98.8	Very high	82.9	Confident	4 Å²	4	45.8 Å²	45.8	2%	0.021	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	108.3	-179.4	168.7	64.6	0	0	0	109.2	A358 F379 L380 L407 L425 L468 F494	A358-L409 HydrophobicContact CB-CD1 3.86Å; F379-L409 HydrophobicContact CD1-CD1 3.99Å; F379-L409 HydrophobicContact CE1-CD1 3.47Å; F379-L409 VanDerWaalsContact CE1-CD1 3.47Å; L380-L409 HydrophobicContact CD1-CD2 4.07Å; L407-L409 HydrophobicContact CD1-CB 4.45Å; L407-L409 HydrophobicContact CD2-CB 4.48Å; L407-L409 HydrophobicContact CG-CB 4.31Å; L409-L425 HydrophobicContact CD2-CD1 4.45Å; L409-L425 HydrophobicContact CD2-CD2 3.84Å; L409-L468 HydrophobicContact CD2-CD1 4.2Å; L409-F494 HydrophobicContact CB-CB 4.03Å; L409-F494 HydrophobicContact CD2-CB 4.39Å; L409-F494 HydrophobicContact CG-CB 4.44Å; L409-F494 PolarHBondContact N-O 3.3Å; L409-F494 PolarHBondContact O-N 2.79Å
410	C	98.9	Very high	85.8	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	136.9	168.7	-62.5	0	0	0	0	108.8	C193 S237 A358 N359 A360 Y492	C193-C410 HydrophobicContact CB-CB 3.95Å; S237-C410 WeakPolarHBondContact OG-CB 3.39Å; S237-C410 PolarHBondContact OG-SG 2.81Å; S237-C410 VanDerWaalsContact OG-SG 3.4Å; A358-C410 PolarHBondContact O-N 3.48Å; N359-C410 WeakPolarHBondContact CA-O 3.37Å; A360-C410 PolarHBondContact N-O 3.34Å; A360-C410 VanDerWaalsContact N-O 3.15Å; C410-Y492 WeakPolarHBondContact CA-O 3.28Å
411	A	98.4	Very high	88.9	Confident	1 Å²	1	37.3 Å²	37.3	1%	0.008	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160	144.9	172.5	0	0	0	0	0	112.8	A360 L413 D491 Y492	A360-A411 HydrophobicContact CB-CB 4.33Å; A360-A411 VanDerWaalsContact O-CA 3.22Å; A360-A411 WeakPolarHBondContact O-CA 3.4Å; A360-A411 WeakPolarHBondContact O-CB 3.39Å; A411-L413 HydrophobicContact CB-CD2 3.47Å; A411-L413 VanDerWaalsContact CB-CD2 3.47Å; A411-L413 HydrophobicContact CB-CG 3.83Å; A411-D491 WeakPolarHBondContact O-CA 3.13Å; A411-Y492 PolarHBondContact N-O 3.33Å; A411-Y492 PolarHBondContact O-N 3.14Å
412	D	98.7	Very high	91.7	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.005	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	102.1	150.9	-176.6	-16.2	0	0	0	106.9	N195 Q239 A360 H361 M362 N414 H531	N195-D412 PolarHBondContact ND2-OD2 3.37Å; Q239-D412 HydrophobicContact CG-CB 4.15Å; A360-D412 PolarHBondContact O-N 3.46Å; A360-D412 VanDerWaalsContact O-N 3.07Å; H361-D412 WeakPolarHBondContact CA-O 3.27Å; H361-D412 IonicContact CD2-OD2 3.84Å; H361-D412 IonicContact NE2-OD2 3.42Å; M362-D412 PolarHBondContact N-O 3.1Å; D412-N414 PolarHBondContact OD1-N 3.36Å; D412-N414 PolarHBondContact OD1-ND2 3.18Å; D412-H531 IonicContact OD2-CE1 3.92Å; D412-H531 PolarHBondContact OD2-CE1 3.5Å; D412-H531 VanDerWaalsContact OD2-CE1 3.31Å; D412-H531 IonicContact OD2-NE2 3.72Å
413	L	98.6	Very high	94.4	Very high	2 Å²	2	27.4 Å²	27.4	1%	0.01	17%	0.169	C	C	.	.			trans	-86.1	-12.1	-177.5	-65.5	-179.4	0	0	0	112.3	M362 A411 S415 V421 L425 I490 Y492 F494	M362-L413 HydrophobicContact CE-CD2 3.96Å; M362-L413 HydrophobicContact CG-CD2 3.82Å; A411-L413 HydrophobicContact CB-CD2 3.47Å; A411-L413 VanDerWaalsContact CB-CD2 3.47Å; A411-L413 HydrophobicContact CB-CG 3.83Å; L413-S415 WeakPolarHBondContact O-CB 3.48Å; L413-S415 PolarHBondContact O-N 3.1Å; L413-S415 PolarHBondContact O-OG 2.89Å; L413-V421 HydrophobicContact CB-CG1 4.42Å; L413-V421 HydrophobicContact CD1-CG1 3.94Å; L413-V421 HydrophobicContact CD2-CG1 4.28Å; L413-V421 HydrophobicContact CG-CG1 4.46Å; L413-L425 HydrophobicContact CD1-CD1 3.59Å; L413-I490 PolarHBondContact N-O 3.09Å; L413-Y492 HydrophobicContact CB-CD2 4.09Å; L413-Y492 HydrophobicContact CB-CE2 4.2Å; L413-Y492 HydrophobicContact CD1-CD2 3.42Å; L413-Y492 VanDerWaalsContact CD1-CD2 3.42Å; L413-Y492 HydrophobicContact CD1-CE2 3.89Å; L413-Y492 HydrophobicContact CD1-CG 4.03Å; L413-Y492 HydrophobicContact CG-CD2 3.82Å; L413-Y492 HydrophobicContact CG-CE2 4.37Å; L413-F494 HydrophobicContact CD1-CE2 4.26Å
414	N	98.5	Very high	96.3	Very high	27 Å²	27	24.2 Å²	24.2	14%	0.144	14%	0.136	C	C	.	.			trans	47.7	31	-170.4	-80.5	-68.7	0	0	0	113	H361 M362 H363 K372 D412	H361-N414 PolarHBondContact NE2-ND2 3.47Å; M362-N414 PolarHBondContact O-ND2 3Å; M362-N414 VanDerWaalsContact O-ND2 3.1Å; H363-N414 VanDerWaalsContact O-CB 3.28Å; H363-N414 WeakPolarHBondContact O-CB 3.36Å; K372-N414 HydrophobicContact CD-CB 4.4Å; K372-N414 WeakPolarHBondContact CD-O 3.48Å; K372-N414 PolarHBondContact NZ-O 3.08Å; D412-N414 PolarHBondContact OD1-N 3.36Å; D412-N414 PolarHBondContact OD1-ND2 3.18Å
415	S	98.3	Very high	97.3	Very high	8 Å²	8	19.5 Å²	19.5	6%	0.056	11%	0.107	C	C	.	.			trans	-137.6	129.9	-170	-59.2	0	0	0	0	110	K372 L413 S419 V421 Y492	K372-S415 WeakPolarHBondContact CD-OG 2.96Å; L413-S415 WeakPolarHBondContact O-CB 3.48Å; L413-S415 PolarHBondContact O-N 3.1Å; L413-S415 PolarHBondContact O-OG 2.89Å; S415-S419 WeakPolarHBondContact CB-OG 3.38Å; S415-V421 WeakPolarHBondContact OG-CG2 3.14Å; S415-Y492 WeakPolarHBondContact O-CE2 3.48Å; S415-Y492 PolarHBondContact O-OH 3.46Å
416	L	97.6	Very high	97.5	Very high	69 Å²	69	21.3 Å²	21.3	36%	0.361	12%	0.121	S	C	.	.			trans	-72.5	162.4	-178.7	-70.1	173.6	0	0	0	112.2	D418 S419 V422 F486 I490	L416-D418 VanDerWaalsContact CB-OD1 3.23Å; L416-D418 WeakPolarHBondContact CB-OD1 3.49Å; L416-D418 PolarHBondContact O-N 3.24Å; L416-D418 VanDerWaalsContact O-N 3.1Å; L416-S419 WeakPolarHBondContact O-CB 3.43Å; L416-S419 PolarHBondContact O-N 2.8Å; L416-S419 PolarHBondContact O-OG 2.82Å; L416-V422 WeakPolarHBondContact O-CG2 3.4Å; L416-F486 HydrophobicContact CD2-CE2 4.27Å; L416-F486 HydrophobicContact CD2-CZ 3.93Å; L416-I490 HydrophobicContact CD2-CG2 4.38Å
417	P	96.9	Very high	97.5	Very high	65 Å²	65	25.3 Å²	25.3	42%	0.422	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-24.3	-178.5	-26.4	35	0	0	0	115.7	V422 I489 Y492	P417-V422 WeakPolarHBondContact O-CG1 3.38Å; P417-I489 HydrophobicContact CG-CB 3.97Å; P417-I489 HydrophobicContact CG-CD1 4.02Å; P417-I489 HydrophobicContact CG-CG2 4.33Å; P417-Y492 WeakPolarHBondContact CD-OH 3.1Å
418	D	95.5	Very high	97.3	Very high	115 Å²	115	25.8 Å²	25.8	62%	0.615	15%	0.151	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.7	6.4	179.3	68.1	-41.8	0	0	0	113.7	L416	L416-D418 VanDerWaalsContact CB-OD1 3.23Å; L416-D418 WeakPolarHBondContact CB-OD1 3.49Å; L416-D418 PolarHBondContact O-N 3.24Å; L416-D418 VanDerWaalsContact O-N 3.1Å
419	S	97.6	Very high	97	Very high	14 Å²	14	25.8 Å²	25.8	10%	0.098	15%	0.151	C	C	.	.	S	Bend	trans	-77.8	156.7	177.1	67.5	0	0	0	0	112.9	S415 L416 V421 V422 E423	S415-S419 WeakPolarHBondContact CB-OG 3.38Å; L416-S419 WeakPolarHBondContact O-CB 3.43Å; L416-S419 PolarHBondContact O-N 2.8Å; L416-S419 PolarHBondContact O-OG 2.82Å; S419-V421 PolarHBondContact O-N 3.32Å; S419-V422 PolarHBondContact O-N 3.35Å; S419-V422 PolarHBondContact OG-N 3.23Å; S419-E423 PolarHBondContact O-N 2.98Å
420	G	97.3	Very high	96.8	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-62.2	-22.9	172.6	0	0	0	0	0	113.1	L373 Y424 H434 D436	L373-G420 WeakPolarHBondContact CD1-O 3.27Å; G420-Y424 WeakPolarHBondContact O-CB 3.41Å; G420-Y424 PolarHBondContact O-N 2.93Å; G420-H434 WeakPolarHBondContact CA-CE1 3.23Å; G420-D436 WeakPolarHBondContact CA-OD2 3.34Å; G420-D436 PolarHBondContact N-OD2 2.84Å
421	V	98.1	Very high	96.4	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.006	17%	0.167	C	C	.	.	H	α-helix	trans	-64.1	-51.4	173.8	-179.7	0	0	0	0	110.5	K372 L373 T376 L413 S415 S419 Y424 L425	K372-V421 HydrophobicContact CB-CG2 3.99Å; L373-V421 HydrophobicContact CB-CG2 4.13Å; L373-V421 HydrophobicContact CD1-CG2 4.32Å; T376-V421 HydrophobicContact CG2-CG1 4.02Å; T376-V421 WeakPolarHBondContact OG1-CG1 3.38Å; L413-V421 HydrophobicContact CB-CG1 4.42Å; L413-V421 HydrophobicContact CD1-CG1 3.94Å; L413-V421 HydrophobicContact CD2-CG1 4.28Å; L413-V421 HydrophobicContact CG-CG1 4.46Å; S415-V421 WeakPolarHBondContact OG-CG2 3.14Å; S419-V421 PolarHBondContact O-N 3.32Å; V421-Y424 PolarHBondContact O-N 3.12Å; V421-L425 HydrophobicContact CG1-CD1 4.31Å; V421-L425 WeakPolarHBondContact O-CG 3.26Å; V421-L425 PolarHBondContact O-N 3.26Å; V421-L425 VanDerWaalsContact O-N 3.12Å
422	V	97.8	Very high	95.8	Very high	13 Å²	13	30.6 Å²	30.6	8%	0.079	18%	0.175	C	C	.	.	H	α-helix	trans	-71.9	-36.6	-178.5	176.3	0	0	0	0	110.6	L416 P417 S419 L425 S426 Y492 F494	L416-V422 WeakPolarHBondContact O-CG2 3.4Å; P417-V422 WeakPolarHBondContact O-CG1 3.38Å; S419-V422 PolarHBondContact O-N 3.35Å; S419-V422 PolarHBondContact OG-N 3.23Å; V422-L425 PolarHBondContact O-N 3.47Å; V422-S426 VanDerWaalsContact O-CB 3.23Å; V422-S426 WeakPolarHBondContact O-CB 3.24Å; V422-S426 PolarHBondContact O-N 3.42Å; V422-S426 PolarHBondContact O-OG 2.97Å; V422-Y492 HydrophobicContact CG2-CE1 4.09Å; V422-Y492 HydrophobicContact CG2-CE2 4.15Å; V422-F494 HydrophobicContact CG1-CZ 4.4Å
423	E	97.4	Very high	95.3	Very high	73 Å²	73	36.8 Å²	36.8	34%	0.341	21%	0.208	S	C	.	.	H	α-helix	trans	-57.8	-50.5	170.9	-176.3	-173.4	143.4	0	0	111.3	S419 L425 S426 T427 H434	S419-E423 PolarHBondContact O-N 2.98Å; E423-L425 PolarHBondContact O-N 3.48Å; E423-S426 PolarHBondContact O-N 3.02Å; E423-T427 HydrophobicContact CG-CG2 4.12Å; E423-T427 WeakPolarHBondContact O-CB 3.35Å; E423-T427 WeakPolarHBondContact O-CG2 3.19Å; E423-T427 PolarHBondContact O-N 3.22Å; E423-T427 PolarHBondContact O-OG1 2.83Å; E423-H434 IonicContact OE2-CD2 3.76Å; E423-H434 IonicContact OE2-NE2 3.59Å; E423-H434 PolarHBondContact OE2-NE2 3.36Å
424	Y	97	Very high	95	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-55.1	-52.6	179.4	173.8	-106.6	0	0	0	110.8	T376 M377 L380 G420 V421 G428 G429 V430 I462 H464	T376-Y424 HydrophobicContact CG2-CD1 4.02Å; T376-Y424 HydrophobicContact CG2-CE1 4.35Å; M377-Y424 HydrophobicContact CE-CD2 3.9Å; M377-Y424 HydrophobicContact CE-CE2 4.09Å; M377-Y424 HydrophobicContact CE-CG 4.37Å; M377-Y424 HydrophobicContact CG-CD1 4.33Å; M377-Y424 HydrophobicContact CG-CD2 4.45Å; M377-Y424 HydrophobicContact CG-CE1 3.9Å; M377-Y424 HydrophobicContact CG-CE2 4.07Å; L380-Y424 HydrophobicContact CB-CE1 4.41Å; L380-Y424 HydrophobicContact CD2-CE1 3.85Å; G420-Y424 WeakPolarHBondContact O-CB 3.41Å; G420-Y424 PolarHBondContact O-N 2.93Å; V421-Y424 PolarHBondContact O-N 3.12Å; Y424-G428 CarbonylContact O-C 3.57Å; Y424-G428 PolarHBondContact O-N 3.04Å; Y424-G428 VanDerWaalsContact O-N 3.13Å; Y424-G429 PolarHBondContact O-N 3.28Å; Y424-G429 VanDerWaalsContact O-N 3.09Å; Y424-V430 HydrophobicContact CD2-CB 4.36Å; Y424-V430 HydrophobicContact CD2-CG1 3.96Å; Y424-V430 HydrophobicContact CG-CG1 4.5Å; Y424-I462 HydrophobicContact CE2-CG2 4.09Å; Y424-H464 AromaticContact CE1-CD2 3.73Å; Y424-H464 AromaticContact CE2-CD2 3.81Å; Y424-H464 AromaticContact CZ-CD2 3.54Å; Y424-H464 PolarHBondContact O-NE2 2.79Å
425	L	97.1	Very high	94.8	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-62.1	-44.5	-179.1	-68.7	172.3	0	0	0	112.8	T376 L380 L409 L413 V421 V422 E423 H464 L468 F494	T376-L425 HydrophobicContact CG2-CD1 4.12Å; T376-L425 HydrophobicContact CG2-CD2 3.77Å; T376-L425 HydrophobicContact CG2-CG 3.93Å; L380-L425 HydrophobicContact CD1-CD2 3.5Å; L380-L425 HydrophobicContact CD2-CD2 3.65Å; L380-L425 HydrophobicContact CG-CD2 4.22Å; L409-L425 HydrophobicContact CD2-CD1 4.45Å; L409-L425 HydrophobicContact CD2-CD2 3.84Å; L413-L425 HydrophobicContact CD1-CD1 3.59Å; V421-L425 HydrophobicContact CG1-CD1 4.31Å; V421-L425 WeakPolarHBondContact O-CG 3.26Å; V421-L425 PolarHBondContact O-N 3.26Å; V421-L425 VanDerWaalsContact O-N 3.12Å; V422-L425 PolarHBondContact O-N 3.47Å; E423-L425 PolarHBondContact O-N 3.48Å; L425-H464 PolarHBondContact O-CE1 2.93Å; L425-H464 PolarHBondContact O-NE2 3.37Å; L425-L468 HydrophobicContact CD2-CD1 4Å; L425-L468 WeakPolarHBondContact O-CB 3.19Å; L425-F494 HydrophobicContact CB-CD1 4.4Å; L425-F494 HydrophobicContact CB-CE1 3.94Å; L425-F494 HydrophobicContact CB-CE2 4.27Å; L425-F494 HydrophobicContact CB-CZ 3.87Å; L425-F494 HydrophobicContact CD1-CD2 4.02Å; L425-F494 HydrophobicContact CD1-CE2 3.63Å; L425-F494 HydrophobicContact CD1-CZ 4.04Å
426	S	95.7	Very high	94.7	Very high	52 Å²	52	44.1 Å²	44.1	36%	0.364	24%	0.239	S	C	.	.	H	α-helix	trans	-81.6	-36.7	-170.7	-51.4	0	0	0	0	112.9	V422 E423 F494	V422-S426 VanDerWaalsContact O-CB 3.23Å; V422-S426 WeakPolarHBondContact O-CB 3.24Å; V422-S426 PolarHBondContact O-N 3.42Å; V422-S426 PolarHBondContact O-OG 2.97Å; E423-S426 PolarHBondContact O-N 3.02Å; S426-F494 WeakPolarHBondContact OG-CE1 3.25Å
427	T	94.8	Very high	94.4	Very high	85 Å²	85	41 Å²	41	52%	0.521	22%	0.222	S	C	.	.	H	α-helix	trans	-95.9	-6.3	-176	72.7	0	0	0	0	113	E423 G429	E423-T427 HydrophobicContact CG-CG2 4.12Å; E423-T427 WeakPolarHBondContact O-CB 3.35Å; E423-T427 WeakPolarHBondContact O-CG2 3.19Å; E423-T427 PolarHBondContact O-N 3.22Å; E423-T427 PolarHBondContact O-OG1 2.83Å; T427-G429 PolarHBondContact OG1-O 3.47Å
428	G	92.3	Very high	94.1	Very high	11 Å²	11	42.1 Å²	42.1	11%	0.113	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.5	13.1	-178.5	0	0	0	0	0	114	Y424 T463 H464	Y424-G428 CarbonylContact O-C 3.57Å; Y424-G428 PolarHBondContact O-N 3.04Å; Y424-G428 VanDerWaalsContact O-N 3.13Å; G428-T463 CarbonylContact O-C 3.51Å; G428-T463 VanDerWaalsContact O-CA 3.26Å; G428-T463 WeakPolarHBondContact O-CA 3.05Å; G428-T463 WeakPolarHBondContact O-CB 3.24Å; G428-H464 PolarHBondContact O-N 3.26Å
429	G	92.2	Very high	93.5	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	167.2	172.1	174.5	0	0	0	0	0	114.1	Y424 T427 R461 I462	Y424-G429 PolarHBondContact O-N 3.28Å; Y424-G429 VanDerWaalsContact O-N 3.09Å; T427-G429 PolarHBondContact OG1-O 3.47Å; G429-R461 VanDerWaalsContact CA-NH1 3.31Å; G429-R461 PolarHBondContact O-NH1 3.42Å; G429-I462 CarbonylContact C-O 3.46Å; G429-I462 WeakPolarHBondContact CA-O 3.39Å
430	V	93.4	Very high	92.7	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	151.8	177.8	70.6	0	0	0	0	109.8	L373 M377 Y424 H434 F437 R461 I462	L373-V430 HydrophobicContact CD1-CG1 4.39Å; L373-V430 HydrophobicContact CD2-CG1 4.38Å; M377-V430 HydrophobicContact CE-CG1 3.24Å; Y424-V430 HydrophobicContact CD2-CB 4.36Å; Y424-V430 HydrophobicContact CD2-CG1 3.96Å; Y424-V430 HydrophobicContact CG-CG1 4.5Å; V430-H434 HydrophobicContact CG2-CB 3.64Å; V430-H434 VanDerWaalsContact CG2-CD2 3.49Å; V430-H434 WeakPolarHBondContact CG2-CD2 3.45Å; V430-F437 HydrophobicContact CG1-CE2 4.4Å; V430-R461 VanDerWaalsContact C-CG 3.5Å; V430-R461 VanDerWaalsContact O-CG 3.23Å; V430-R461 WeakPolarHBondContact O-CG 3.3Å; V430-I462 PolarHBondContact N-O 3.07Å; V430-I462 PolarHBondContact O-N 3.36Å
431	E	90.5	Very high	91.4	Very high	79 Å²	79	58.6 Å²	58.6	37%	0.369	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	142.7	175.9	-64.3	-61.3	154.4	0	0	111.6	N433 H434 R461	E431-N433 VanDerWaalsContact CB-OD1 3.26Å; E431-N433 WeakPolarHBondContact CB-OD1 3.44Å; E431-N433 PolarHBondContact O-N 3.09Å; E431-H434 WeakPolarHBondContact O-CB 3.43Å; E431-H434 PolarHBondContact O-N 2.92Å; E431-H434 VanDerWaalsContact O-N 3.1Å; E431-R461 HydrophobicContact CG-CG 4.36Å; E431-R461 WeakPolarHBondContact OE1-CD 3.19Å; E431-R461 WeakPolarHBondContact OE1-CG 3.3Å
432	T	86.8	Confident	90.2	Very high	28 Å²	28	58.6 Å²	58.6	17%	0.172	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-21.3	179.7	50.5	0	0	0	0	113.2	F437 N443 G460 I462	T432-F437 VanDerWaalsContact O-CD2 3.31Å; T432-F437 WeakPolarHBondContact O-CD2 3.33Å; T432-N443 PolarHBondContact O-OD1 3.31Å; T432-G460 VanDerWaalsContact CB-O 3.25Å; T432-G460 WeakPolarHBondContact CB-O 3.33Å; T432-G460 WeakPolarHBondContact CG2-O 3.43Å; T432-G460 PolarHBondContact N-O 3.13Å; T432-G460 PolarHBondContact OG1-O 3.31Å; T432-I462 HydrophobicContact CG2-CD1 3.82Å; T432-I462 HydrophobicContact CG2-CG1 3.75Å
433	N	87.9	Confident	88.7	Confident	130 Å²	130	61.5 Å²	61.5	70%	0.695	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.4	14.1	176.5	68	-8.7	0	0	0	113.3	E431	E431-N433 VanDerWaalsContact CB-OD1 3.26Å; E431-N433 WeakPolarHBondContact CB-OD1 3.44Å; E431-N433 PolarHBondContact O-N 3.09Å
434	H	93.6	Very high	87.4	Confident	26 Å²	26	65.4 Å²	65.4	12%	0.12	32%	0.317	C	S	.	.			trans	-56.5	140.7	-180	-175.3	-86.4	0	0	0	111.9	G420 E423 V430 E431 D436 F437	G420-H434 WeakPolarHBondContact CA-CE1 3.23Å; E423-H434 IonicContact OE2-CD2 3.76Å; E423-H434 IonicContact OE2-NE2 3.59Å; E423-H434 PolarHBondContact OE2-NE2 3.36Å; V430-H434 HydrophobicContact CG2-CB 3.64Å; V430-H434 VanDerWaalsContact CG2-CD2 3.49Å; V430-H434 WeakPolarHBondContact CG2-CD2 3.45Å; E431-H434 WeakPolarHBondContact O-CB 3.43Å; E431-H434 PolarHBondContact O-N 2.92Å; E431-H434 VanDerWaalsContact O-N 3.1Å; H434-D436 IonicContact CE1-OD1 2.86Å; H434-D436 PolarHBondContact CE1-OD1 3.19Å; H434-D436 IonicContact CE1-OD2 3.81Å; H434-D436 WeakPolarHBondContact ND1-CB 3.42Å; H434-D436 PolarHBondContact ND1-N 2.94Å; H434-D436 VanDerWaalsContact ND1-N 3.13Å; H434-D436 IonicContact ND1-OD1 3.71Å; H434-D436 PolarHBondContact O-N 3.44Å; H434-F437 HydrophobicContact CB-CD2 4.04Å; H434-F437 HydrophobicContact CB-CE2 4.27Å; H434-F437 WeakPolarHBondContact O-CB 3.49Å; H434-F437 PolarHBondContact O-N 2.97Å
435	K	93.9	Very high	86.3	Confident	146 Å²	146	65.5 Å²	65.5	64%	0.635	32%	0.318	S	S	*	.	G	3₁₀ helix	trans	-51.5	-34.2	-175.3	64.8	179	-178.3	176.8	0	113.5	F437 K438	K435-F437 PolarHBondContact O-N 3.03Å; K435-K438 PolarHBondContact O-N 2.86Å
436	D	94.6	Very high	85.3	Confident	20 Å²	20	65.5 Å²	65.5	11%	0.107	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-66.9	-19.6	-178.1	-72.2	14.8	0	0	0	112.8	S369 D370 L373 G420 H434 K438	S369-D436 CarbonylContact C-O 3.6Å; S369-D436 PolarHBondContact OG-O 2.76Å; D370-D436 WeakPolarHBondContact CA-O 3.27Å; D370-D436 VanDerWaalsContact CB-O 3.29Å; D370-D436 WeakPolarHBondContact CB-O 3.48Å; D370-D436 PolarHBondContact N-O 3.27Å; L373-D436 HydrophobicContact CD2-CB 4.17Å; G420-D436 WeakPolarHBondContact CA-OD2 3.34Å; G420-D436 PolarHBondContact N-OD2 2.84Å; H434-D436 IonicContact CE1-OD1 2.86Å; H434-D436 PolarHBondContact CE1-OD1 3.19Å; H434-D436 IonicContact CE1-OD2 3.81Å; H434-D436 WeakPolarHBondContact ND1-CB 3.42Å; H434-D436 PolarHBondContact ND1-N 2.94Å; H434-D436 VanDerWaalsContact ND1-N 3.13Å; H434-D436 IonicContact ND1-OD1 3.71Å; H434-D436 PolarHBondContact O-N 3.44Å; D436-K438 PolarHBondContact O-N 2.78Å
437	F	92.9	Very high	84.3	Confident	3 Å²	3	65.1 Å²	65.1	1%	0.013	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-74.2	-6.3	170	-68.1	-59.7	0	0	0	113.5	L373 V374 M377 V430 T432 H434 K435 E439 L440 Y442 L446 I462	L373-F437 HydrophobicContact CB-CE1 4.42Å; L373-F437 HydrophobicContact CD2-CD1 4.14Å; L373-F437 HydrophobicContact CD2-CD2 4.2Å; L373-F437 HydrophobicContact CD2-CE1 3.64Å; L373-F437 HydrophobicContact CD2-CE2 3.72Å; L373-F437 HydrophobicContact CD2-CG 4.4Å; L373-F437 HydrophobicContact CD2-CZ 3.42Å; L373-F437 VanDerWaalsContact CD2-CZ 3.42Å; L373-F437 HydrophobicContact CG-CE1 3.88Å; L373-F437 HydrophobicContact CG-CZ 3.84Å; V374-F437 HydrophobicContact CG2-CE1 4Å; M377-F437 HydrophobicContact CE-CE2 4.44Å; M377-F437 HydrophobicContact CE-CZ 3.63Å; M377-F437 HydrophobicContact SD-CZ 4.1Å; V430-F437 HydrophobicContact CG1-CE2 4.4Å; T432-F437 VanDerWaalsContact O-CD2 3.31Å; T432-F437 WeakPolarHBondContact O-CD2 3.33Å; H434-F437 HydrophobicContact CB-CD2 4.04Å; H434-F437 HydrophobicContact CB-CE2 4.27Å; H434-F437 WeakPolarHBondContact O-CB 3.49Å; H434-F437 PolarHBondContact O-N 2.97Å; K435-F437 PolarHBondContact O-N 3.03Å; F437-E439 PolarHBondContact O-N 2.98Å; F437-L440 VanDerWaalsContact O-CB 3.24Å; F437-L440 WeakPolarHBondContact O-CB 3.44Å; F437-L440 WeakPolarHBondContact O-CG 3.49Å; F437-L440 PolarHBondContact O-N 3.03Å; F437-Y442 HydrophobicContact CD1-CD2 4.06Å; F437-L446 HydrophobicContact CD1-CD1 4.22Å; F437-L446 HydrophobicContact CE1-CD1 3.61Å; F437-L446 HydrophobicContact CE1-CD2 4.48Å; F437-L446 HydrophobicContact CE2-CD1 4.3Å; F437-L446 HydrophobicContact CZ-CD1 3.65Å; F437-I462 HydrophobicContact CZ-CD1 4.21Å
438	K	90	Very high	83.6	Confident	88 Å²	88	64.3 Å²	64.3	38%	0.383	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.9	34.8	176.5	-57.4	-170.1	170	-158.6	0	114	D367 S369 K435 D436 L440	D367-K438 VanDerWaalsContact C-NZ 3.28Å; D367-K438 WeakPolarHBondContact O-CE 3.47Å; D367-K438 PolarHBondContact O-NZ 2.76Å; S369-K438 VanDerWaalsContact OG-CE 3.28Å; S369-K438 WeakPolarHBondContact OG-CE 3.27Å; K435-K438 PolarHBondContact O-N 2.86Å; D436-K438 PolarHBondContact O-N 2.78Å; K438-L440 HydrophobicContact CB-CD1 4.26Å; K438-L440 HydrophobicContact CB-CG 4.25Å; K438-L440 PolarHBondContact O-N 2.93Å
439	E	83.1	Confident	82.9	Confident	196 Å²	196	64 Å²	64	92%	0.916	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.8	15.2	-176.6	-53.6	179	174.9	0	0	114.1	F437	F437-E439 PolarHBondContact O-N 2.98Å
440	L	79.9	Confident	82.3	Confident	55 Å²	55	64.4 Å²	64.4	29%	0.288	31%	0.305	S	S	.	.			trans	-74	141.3	178.4	-62.9	168.7	0	0	0	110.2	A315 D370 F437 K438 Y442	A315-L440 HydrophobicContact CB-CB 4.18Å; A315-L440 HydrophobicContact CB-CD1 4.46Å; D370-L440 HydrophobicContact CB-CD1 4.34Å; D370-L440 VanDerWaalsContact OD2-CD1 3.26Å; D370-L440 WeakPolarHBondContact OD2-CD1 3.35Å; F437-L440 VanDerWaalsContact O-CB 3.24Å; F437-L440 WeakPolarHBondContact O-CB 3.44Å; F437-L440 WeakPolarHBondContact O-CG 3.49Å; F437-L440 PolarHBondContact O-N 3.03Å; K438-L440 HydrophobicContact CB-CD1 4.26Å; K438-L440 HydrophobicContact CB-CG 4.25Å; K438-L440 PolarHBondContact O-N 2.93Å; L440-Y442 VanDerWaalsContact C-N 3.28Å; L440-Y442 HydrophobicContact CB-CD2 3.63Å; L440-Y442 HydrophobicContact CB-CE2 3.44Å; L440-Y442 VanDerWaalsContact CB-CE2 3.44Å; L440-Y442 HydrophobicContact CD1-CE2 3.63Å; L440-Y442 HydrophobicContact CG-CE2 4.18Å; L440-Y442 PolarHBondContact O-N 3.04Å
441	R	70.1	Confident	81.3	Confident	225 Å²	225	65 Å²	65	85%	0.849	31%	0.308	S	S	*	.	S	Bend	trans	-76.9	77.1	-179.8	-64.7	-174.6	-176.7	-178.6	1.5	111.4	S313	S313-R441 PolarHBondContact OG-O 3.12Å
442	Y	73.9	Confident	80	Confident	1 Å²	1	65.6 Å²	65.6	0%	0.004	31%	0.314	C	S	.	.			trans	-94.6	-17.7	170.7	-70.1	-73.9	0	0	0	112.8	A315 M316 V320 D370 V374 F437 L440 E444 S445 L446	A315-Y442 HydrophobicContact CB-CD1 4.06Å; A315-Y442 HydrophobicContact CB-CE1 3.48Å; A315-Y442 VanDerWaalsContact CB-CE1 3.48Å; A315-Y442 HydrophobicContact CB-CE2 4Å; A315-Y442 VanDerWaalsContact CB-CZ 3.44Å; M316-Y442 HydrophobicContact CB-CE1 4.47Å; M316-Y442 HydrophobicContact CE-CD1 4.18Å; V320-Y442 HydrophobicContact CG2-CE1 3.94Å; D370-Y442 HydrophobicContact CB-CE2 3.89Å; D370-Y442 PolarHBondContact OD2-OH 2.88Å; V374-Y442 HydrophobicContact CG2-CD1 4.41Å; V374-Y442 HydrophobicContact CG2-CE1 4.39Å; F437-Y442 HydrophobicContact CD1-CD2 4.06Å; L440-Y442 VanDerWaalsContact C-N 3.28Å; L440-Y442 HydrophobicContact CB-CD2 3.63Å; L440-Y442 HydrophobicContact CB-CE2 3.44Å; L440-Y442 VanDerWaalsContact CB-CE2 3.44Å; L440-Y442 HydrophobicContact CD1-CE2 3.63Å; L440-Y442 HydrophobicContact CG-CE2 4.18Å; L440-Y442 PolarHBondContact O-N 3.04Å; Y442-E444 PolarHBondContact O-N 3.37Å; Y442-E444 VanDerWaalsContact O-N 3.1Å; Y442-S445 PolarHBondContact O-N 2.83Å; Y442-S445 PolarHBondContact O-OG 3.49Å; Y442-L446 HydrophobicContact CG-CD1 4.41Å; Y442-L446 WeakPolarHBondContact O-CG 3.49Å; Y442-L446 PolarHBondContact O-N 2.8Å
443	N	65.6	Low	78.6	Confident	73 Å²	73	65.9 Å²	65.9	39%	0.39	32%	0.323	S	S	.	.	H	α-helix	trans	-49	-45.3	-160.8	-66.5	-6.9	0	0	0	116.1	T432	T432-N443 PolarHBondContact O-OD1 3.31Å
444	E	69.9	Low	76.7	Confident	155 Å²	155	67.6 Å²	67.6	72%	0.724	32%	0.324	S	S	*	.	H	α-helix	trans	-67.5	-46.5	-179.3	-66.4	178.8	-175.2	0	0	111.3	Y442 L446 T447	Y442-E444 PolarHBondContact O-N 3.37Å; Y442-E444 VanDerWaalsContact O-N 3.1Å; E444-L446 PolarHBondContact O-N 3.42Å; E444-T447 PolarHBondContact O-OG1 3.31Å
445	S	73.8	Confident	74.4	Confident	3 Å²	3	73.8 Å²	73.8	2%	0.021	36%	0.358	C	S	.	.	H	α-helix	trans	-66.6	-32.4	178.6	62.5	0	0	0	0	114.1	N309 Y442 T447 N448	N309-S445 VanDerWaalsContact O-CB 3.25Å; N309-S445 WeakPolarHBondContact O-CB 3.01Å; Y442-S445 PolarHBondContact O-N 2.83Å; Y442-S445 PolarHBondContact O-OG 3.49Å; S445-T447 VanDerWaalsContact C-N 3.28Å; S445-T447 PolarHBondContact O-N 3.36Å; S445-N448 WeakPolarHBondContact O-CB 3.22Å; S445-N448 PolarHBondContact O-N 3.36Å; S445-N448 PolarHBondContact O-ND2 3.38Å
446	L	76.1	Confident	72	Confident	0 Å²	0	67.3 Å²	67.3	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-70.3	-24.4	-177	-68.1	174.4	0	0	0	113.7	M316 V374 M377 F437 Y442 E444 N448 F449 I462	M316-L446 HydrophobicContact CE-CD2 4.46Å; V374-L446 HydrophobicContact CG1-CD2 4.26Å; V374-L446 HydrophobicContact CG2-CD2 3.74Å; M377-L446 HydrophobicContact SD-CD2 4.25Å; F437-L446 HydrophobicContact CD1-CD1 4.22Å; F437-L446 HydrophobicContact CE1-CD1 3.61Å; F437-L446 HydrophobicContact CE1-CD2 4.48Å; F437-L446 HydrophobicContact CE2-CD1 4.3Å; F437-L446 HydrophobicContact CZ-CD1 3.65Å; Y442-L446 HydrophobicContact CG-CD1 4.41Å; Y442-L446 WeakPolarHBondContact O-CG 3.49Å; Y442-L446 PolarHBondContact O-N 2.8Å; E444-L446 PolarHBondContact O-N 3.42Å; L446-N448 PolarHBondContact O-N 3.06Å; L446-F449 HydrophobicContact CD2-CD2 4.24Å; L446-F449 PolarHBondContact O-N 3Å; L446-I462 HydrophobicContact CB-CD1 3.55Å; L446-I462 HydrophobicContact CB-CG1 4.36Å; L446-I462 HydrophobicContact CD1-CD1 3.66Å; L446-I462 HydrophobicContact CG-CD1 4.13Å
447	T	75.6	Confident	69.8	Low	43 Å²	43	69.4 Å²	69.4	26%	0.264	35%	0.346	S	S	.	.	G	3₁₀ helix	trans	-59.7	-27.2	177.3	63.4	0	0	0	0	112.3	E444 S445 F449 S450 T457	E444-T447 PolarHBondContact O-OG1 3.31Å; S445-T447 VanDerWaalsContact C-N 3.28Å; S445-T447 PolarHBondContact O-N 3.36Å; T447-F449 PolarHBondContact O-N 3.1Å; T447-S450 WeakPolarHBondContact O-CB 3.46Å; T447-S450 PolarHBondContact O-N 2.86Å; T447-S450 VanDerWaalsContact O-N 3.16Å; T447-T457 HydrophobicContact CG2-CG2 3.64Å
448	N	78.5	Confident	67.7	Low	68 Å²	68	73.8 Å²	73.8	36%	0.364	37%	0.373	S	S	.	.	G	3₁₀ helix	trans	-65.1	-21.3	175.5	-64.6	-31.9	0	0	0	113.2	N309 S445 L446	N309-N448 WeakPolarHBondContact OD1-CB 3.2Å; N309-N448 PolarHBondContact OD1-ND2 3.18Å; S445-N448 WeakPolarHBondContact O-CB 3.22Å; S445-N448 PolarHBondContact O-N 3.36Å; S445-N448 PolarHBondContact O-ND2 3.38Å; L446-N448 PolarHBondContact O-N 3.06Å
449	F	79.4	Confident	66.2	Low	6 Å²	6	77 Å²	77	3%	0.026	40%	0.395	C	S	.	.	G	3₁₀ helix	trans	-99.3	1.8	178.5	-51.4	-56.4	0	0	0	113.3	N309 M316 M377 M378 L446 T447 C451	N309-F449 HydrophobicContact CB-CE1 4.05Å; N309-F449 HydrophobicContact CB-CE2 4.16Å; N309-F449 HydrophobicContact CB-CZ 3.41Å; N309-F449 VanDerWaalsContact CB-CZ 3.41Å; M316-F449 HydrophobicContact CE-CE2 3.9Å; M377-F449 HydrophobicContact CB-CB 4.1Å; M378-F449 HydrophobicContact CE-CE1 4.29Å; M378-F449 HydrophobicContact CE-CE2 3.61Å; M378-F449 HydrophobicContact CE-CZ 3.39Å; M378-F449 HydrophobicContact CG-CD1 3.95Å; M378-F449 HydrophobicContact CG-CD2 4.21Å; M378-F449 HydrophobicContact CG-CE1 3.63Å; M378-F449 HydrophobicContact CG-CE2 3.91Å; M378-F449 HydrophobicContact CG-CG 4.22Å; M378-F449 HydrophobicContact CG-CZ 3.6Å; M378-F449 HydrophobicContact SD-CZ 4.31Å; L446-F449 HydrophobicContact CD2-CD2 4.24Å; L446-F449 PolarHBondContact O-N 3Å; T447-F449 PolarHBondContact O-N 3.1Å; F449-C451 PolarHBondContact O-N 3.28Å
450	S	79.5	Confident	65.8	Low	8 Å²	8	69.1 Å²	69.1	6%	0.056	37%	0.366	C	S	.	.			trans	-69.5	113.7	170.8	-172	0	0	0	0	109.6	T447 N452 G453	T447-S450 WeakPolarHBondContact O-CB 3.46Å; T447-S450 PolarHBondContact O-N 2.86Å; T447-S450 VanDerWaalsContact O-N 3.16Å; S450-N452 PolarHBondContact O-N 3.37Å; S450-N452 VanDerWaalsContact O-N 3.09Å; S450-G453 PolarHBondContact O-N 3.14Å; S450-G453 VanDerWaalsContact O-N 3.11Å
451	C	71.1	Confident	66.1	Low	12 Å²	12	70 Å²	70	8%	0.081	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-20.1	-178.3	-76.8	0	0	0	0	113.1	K384 F449 T463 H464	K384-C451 HydrophobicContact CD-CB 3.47Å; K384-C451 VanDerWaalsContact CD-CB 3.47Å; K384-C451 WeakPolarHBondContact CD-O 3.4Å; K384-C451 WeakPolarHBondContact CE-O 3.41Å; F449-C451 PolarHBondContact O-N 3.28Å; C451-T463 PolarHBondContact N-O 3.17Å; C451-T463 VanDerWaalsContact N-O 3.16Å; C451-H464 HydrophobicContact CB-CB 3.99Å
452	N	63.1	Low	66.8	Low	91 Å²	91	59.5 Å²	59.5	49%	0.487	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.3	9.1	-179.7	-66.4	-30.3	0	0	0	113.6	S450 T463	S450-N452 PolarHBondContact O-N 3.37Å; S450-N452 VanDerWaalsContact O-N 3.09Å; N452-T463 PolarHBondContact ND2-OG1 3.23Å
453	G	57.3	Low	67.6	Low	34 Å²	34	60 Å²	60	35%	0.351	33%	0.33	S	S	.	.			trans	81.4	178.3	175.7	0	0	0	0	0	114.8	S450 N455 G456	S450-G453 PolarHBondContact O-N 3.14Å; S450-G453 VanDerWaalsContact O-N 3.11Å; G453-N455 PolarHBondContact O-N 3.24Å; G453-N455 VanDerWaalsContact O-N 3.15Å; G453-G456 WeakPolarHBondContact O-CA 3.37Å; G453-G456 PolarHBondContact O-N 3.36Å
454	K	48.5	Very low	68.9	Low	166 Å²	166	57 Å²	57	72%	0.722	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-20.4	-176.4	-67.7	-171.1	176.8	-172.2	0	114.5
455	N	44.8	Very low	69.8	Low	157 Å²	157	52.1 Å²	52.1	84%	0.84	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90	-3.2	174.2	-66.8	-6.1	0	0	0	113	G453	G453-N455 PolarHBondContact O-N 3.24Å; G453-N455 VanDerWaalsContact O-N 3.15Å
456	G	43.3	Very low	70.6	Confident	10 Å²	10	53.2 Å²	53.2	10%	0.103	31%	0.309	C	S	.	.			trans	-88.6	1.4	179.7	0	0	0	0	0	114.4	G453 T458	G453-G456 WeakPolarHBondContact O-CA 3.37Å; G453-G456 PolarHBondContact O-N 3.36Å; G456-T458 PolarHBondContact O-N 2.85Å
457	T	50.3	Low	71.4	Confident	64 Å²	64	60.2 Å²	60.2	39%	0.393	34%	0.339	S	S	.	.			trans	-76.2	57.6	164.2	56.1	0	0	0	0	109.4	T447 N459	T447-T457 HydrophobicContact CG2-CG2 3.64Å; T457-N459 PolarHBondContact O-N 2.75Å; T457-N459 VanDerWaalsContact O-N 3.09Å
458	T	47.8	Very low	72.4	Confident	95 Å²	95	58.5 Å²	58.5	58%	0.583	33%	0.329	S	S	*	.	S	Bend	trans	-70.3	104.7	164.1	52.2	0	0	0	0	106.1	G456	G456-T458 PolarHBondContact O-N 2.85Å
459	N	57.5	Low	73.3	Confident	155 Å²	155	58.9 Å²	58.9	83%	0.829	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.1	33.5	167.6	-52.1	-16	0	0	0	117.8	T457	T457-N459 PolarHBondContact O-N 2.75Å; T457-N459 VanDerWaalsContact O-N 3.09Å
460	G	75.8	Confident	74.1	Confident	31 Å²	31	59.1 Å²	59.1	32%	0.32	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.4	21.8	170.7	0	0	0	0	0	115.5	T432	T432-G460 VanDerWaalsContact CB-O 3.25Å; T432-G460 WeakPolarHBondContact CB-O 3.33Å; T432-G460 WeakPolarHBondContact CG2-O 3.43Å; T432-G460 PolarHBondContact N-O 3.13Å; T432-G460 PolarHBondContact OG1-O 3.31Å
461	R	85.2	Confident	75	Confident	73 Å²	73	58.9 Å²	58.9	28%	0.275	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	140.5	178.9	-147.3	172.6	85	90.6	-0	111.9	G429 V430 E431 T463	G429-R461 VanDerWaalsContact CA-NH1 3.31Å; G429-R461 PolarHBondContact O-NH1 3.42Å; V430-R461 VanDerWaalsContact C-CG 3.5Å; V430-R461 VanDerWaalsContact O-CG 3.23Å; V430-R461 WeakPolarHBondContact O-CG 3.3Å; E431-R461 HydrophobicContact CG-CG 4.36Å; E431-R461 WeakPolarHBondContact OE1-CD 3.19Å; E431-R461 WeakPolarHBondContact OE1-CG 3.3Å; R461-T463 HydrophobicContact CB-CG2 4.41Å; R461-T463 HydrophobicContact CG-CG2 4.44Å
462	I	86.6	Confident	76.1	Confident	4 Å²	4	59.4 Å²	59.4	2%	0.021	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	127.7	174.2	-59.7	156.2	0	0	0	107.9	M377 Y424 G429 V430 T432 F437 L446	M377-I462 HydrophobicContact CE-CB 4.09Å; M377-I462 HydrophobicContact CE-CD1 3.78Å; M377-I462 HydrophobicContact CE-CG2 4.05Å; M377-I462 HydrophobicContact SD-CB 4.47Å; M377-I462 HydrophobicContact SD-CD1 3.79Å; M377-I462 HydrophobicContact SD-CG2 3.94Å; Y424-I462 HydrophobicContact CE2-CG2 4.09Å; G429-I462 CarbonylContact C-O 3.46Å; G429-I462 WeakPolarHBondContact CA-O 3.39Å; V430-I462 PolarHBondContact N-O 3.07Å; V430-I462 PolarHBondContact O-N 3.36Å; T432-I462 HydrophobicContact CG2-CD1 3.82Å; T432-I462 HydrophobicContact CG2-CG1 3.75Å; F437-I462 HydrophobicContact CZ-CD1 4.21Å; L446-I462 HydrophobicContact CB-CD1 3.55Å; L446-I462 HydrophobicContact CB-CG1 4.36Å; L446-I462 HydrophobicContact CD1-CD1 3.66Å; L446-I462 HydrophobicContact CG-CD1 4.13Å
463	T	90.6	Very high	77.3	Confident	13 Å²	13	58.1 Å²	58.1	8%	0.08	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	158.2	-167.5	62.7	0	0	0	0	114	G428 C451 N452 R461	G428-T463 CarbonylContact O-C 3.51Å; G428-T463 VanDerWaalsContact O-CA 3.26Å; G428-T463 WeakPolarHBondContact O-CA 3.05Å; G428-T463 WeakPolarHBondContact O-CB 3.24Å; C451-T463 PolarHBondContact N-O 3.17Å; C451-T463 VanDerWaalsContact N-O 3.16Å; N452-T463 PolarHBondContact ND2-OG1 3.23Å; R461-T463 HydrophobicContact CB-CG2 4.41Å; R461-T463 HydrophobicContact CG-CG2 4.44Å
464	H	91.6	Very high	78.5	Confident	9 Å²	9	64 Å²	64	4%	0.042	34%	0.342	C	S	.	.			trans	-139	152.9	169.6	72.4	87.2	0	0	0	112.8	L380 Y424 L425 G428 C451 F466	L380-H464 HydrophobicContact CD2-CB 4.27Å; Y424-H464 AromaticContact CE1-CD2 3.73Å; Y424-H464 AromaticContact CE2-CD2 3.81Å; Y424-H464 AromaticContact CZ-CD2 3.54Å; Y424-H464 PolarHBondContact O-NE2 2.79Å; L425-H464 PolarHBondContact O-CE1 2.93Å; L425-H464 PolarHBondContact O-NE2 3.37Å; G428-H464 PolarHBondContact O-N 3.26Å; C451-H464 HydrophobicContact CB-CB 3.99Å; H464-F466 HydrophobicContact CB-CD2 4.06Å; H464-F466 AromaticContact ND1-CD2 3.54Å; H464-F466 PolarHBondContact ND1-N 2.69Å
465	G	89.1	Confident	80.2	Confident	52 Å²	52	58.9 Å²	58.9	54%	0.536	34%	0.337	S	S	.	.	S	Bend	trans	-94.9	5.2	-174.2	0	0	0	0	0	116	K467	G465-K467 VanDerWaalsContact C-N 3.34Å; G465-K467 PolarHBondContact O-N 3.41Å
466	F	90.9	Very high	82.3	Confident	27 Å²	27	53.9 Å²	53.9	12%	0.118	31%	0.31	C	S	.	.			trans	-71.8	-17.1	-170.1	-68.1	-68.6	0	0	0	116.3	L380 V383 K384 I387 L407 H464 L468 S496	L380-F466 HydrophobicContact CB-CE2 4.18Å; L380-F466 HydrophobicContact CD2-CD2 3.84Å; L380-F466 HydrophobicContact CD2-CE2 4.24Å; L380-F466 HydrophobicContact CG-CD2 4.2Å; L380-F466 HydrophobicContact CG-CE2 4.14Å; V383-F466 HydrophobicContact CG1-CE1 4.21Å; V383-F466 HydrophobicContact CG1-CE2 4.5Å; V383-F466 HydrophobicContact CG1-CZ 3.81Å; K384-F466 HydrophobicContact CB-CE2 4.19Å; K384-F466 HydrophobicContact CB-CZ 3.69Å; I387-F466 HydrophobicContact CD1-CE1 3.66Å; I387-F466 HydrophobicContact CD1-CZ 4.41Å; L407-F466 HydrophobicContact CB-CD1 4.44Å; L407-F466 HydrophobicContact CD2-CD1 3.89Å; L407-F466 HydrophobicContact CD2-CE1 4.08Å; L407-F466 HydrophobicContact CD2-CG 4.12Å; L407-F466 HydrophobicContact CD2-CZ 4.45Å; H464-F466 HydrophobicContact CB-CD2 4.06Å; H464-F466 AromaticContact ND1-CD2 3.54Å; H464-F466 PolarHBondContact ND1-N 2.69Å; F466-L468 HydrophobicContact CB-CD1 4.19Å; F466-L468 HydrophobicContact CB-CD2 3.83Å; F466-L468 HydrophobicContact CB-CG 3.66Å; F466-L468 PolarHBondContact O-N 2.81Å; F466-S496 PolarHBondContact O-OG 3.01Å
467	K	93.7	Very high	84.6	Confident	147 Å²	147	53.6 Å²	53.6	64%	0.639	31%	0.306	S	S	*	.			trans	47.1	56.9	-177.9	-61.2	179	-177.9	-179.7	0	111.8	G465 K497	G465-K467 VanDerWaalsContact C-N 3.34Å; G465-K467 PolarHBondContact O-N 3.41Å; K467-K497 VanDerWaalsContact CB-O 3.3Å; K467-K497 WeakPolarHBondContact CB-O 3.31Å; K467-K497 PolarHBondContact O-N 3.2Å
468	L	96.1	Very high	86.7	Confident	7 Å²	7	54 Å²	54	4%	0.037	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	147.1	-174.7	-59.8	174	0	0	0	110.9	L380 L407 L409 L425 F466 F494 Y495	L380-L468 HydrophobicContact CD2-CD1 4.23Å; L407-L468 HydrophobicContact CD2-CD2 4.14Å; L407-L468 HydrophobicContact CG-CD2 4.43Å; L409-L468 HydrophobicContact CD2-CD1 4.2Å; L425-L468 HydrophobicContact CD2-CD1 4Å; L425-L468 WeakPolarHBondContact O-CB 3.19Å; F466-L468 HydrophobicContact CB-CD1 4.19Å; F466-L468 HydrophobicContact CB-CD2 3.83Å; F466-L468 HydrophobicContact CB-CG 3.66Å; F466-L468 PolarHBondContact O-N 2.81Å; L468-F494 HydrophobicContact CB-CB 4.27Å; L468-F494 HydrophobicContact CB-CD1 3.82Å; L468-F494 HydrophobicContact CB-CG 4.42Å; L468-F494 HydrophobicContact CD1-CB 4.36Å; L468-Y495 WeakPolarHBondContact CA-O 3.28Å
469	K	96.8	Very high	89	Confident	76 Å²	76	50.2 Å²	50.2	33%	0.33	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	139.5	173	-166.3	173.6	179.2	-173.2	0	109.1	E473 F494 Y495 K497	K469-E473 WeakPolarHBondContact CE-OE1 3.36Å; K469-E473 WeakPolarHBondContact CE-OE2 3.48Å; K469-E473 WeakPolarHBondContact CG-OE1 3.23Å; K469-E473 IonicContact NZ-OE1 3.79Å; K469-E473 IonicContact NZ-OE2 3.24Å; K469-E473 PolarHBondContact NZ-OE2 3.04Å; K469-F494 CarbonylContact O-C 3.53Å; K469-F494 VanDerWaalsContact O-CA 3.31Å; K469-F494 WeakPolarHBondContact O-CA 3.32Å; K469-Y495 HydrophobicContact CB-CE1 4Å; K469-Y495 HydrophobicContact CB-CE2 4.44Å; K469-Y495 HydrophobicContact CG-CE1 4.35Å; K469-Y495 PolarHBondContact N-O 3.32Å; K469-Y495 WeakPolarHBondContact O-CD1 3.22Å; K469-Y495 WeakPolarHBondContact O-CE1 3.23Å; K469-Y495 PolarHBondContact O-N 2.87Å; K469-K497 HydrophobicContact CB-CG 4.35Å
470	S	97.4	Very high	91	Very high	10 Å²	10	43 Å²	43	7%	0.07	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	138.8	173.4	178.6	0	0	0	0	109.4	Y472	S470-Y472 VanDerWaalsContact C-N 3.26Å; S470-Y472 PolarHBondContact OG-N 2.89Å; S470-Y472 PolarHBondContact OG-O 2.94Å
471	A	97	Very high	92	Very high	3 Å²	3	42 Å²	42	3%	0.025	23%	0.234	C	C	.	.	S	Bend	trans	-68.7	-28.4	172.4	0	0	0	0	0	112.2	I493 Y495 I502 I505 A536	A471-I493 HydrophobicContact CB-CB 4.11Å; A471-I493 HydrophobicContact CB-CG2 4.29Å; A471-I493 WeakPolarHBondContact CB-O 3.24Å; A471-I493 PolarHBondContact N-O 3.45Å; A471-Y495 HydrophobicContact CB-CD1 4.38Å; A471-Y495 HydrophobicContact CB-CE1 4.35Å; A471-I502 HydrophobicContact CB-CD1 3.94Å; A471-I502 HydrophobicContact CB-CG1 4.43Å; A471-I505 HydrophobicContact CB-CG2 4.43Å; A471-A536 HydrophobicContact CB-CB 4.17Å
472	Y	95.8	Very high	92.6	Very high	24 Å²	24	39.2 Å²	39.2	9%	0.094	22%	0.223	C	C	.	.	S	Bend	trans	-109.3	82.1	-178.8	-74	-101.3	0	0	0	109.9	S470 M477 I505 L506 L534 F535	S470-Y472 VanDerWaalsContact C-N 3.26Å; S470-Y472 PolarHBondContact OG-N 2.89Å; S470-Y472 PolarHBondContact OG-O 2.94Å; Y472-M477 HydrophobicContact CD1-CB 3.78Å; Y472-M477 HydrophobicContact CD1-SD 4.12Å; Y472-M477 HydrophobicContact CE1-CB 4.21Å; Y472-M477 HydrophobicContact CE1-SD 3.78Å; Y472-I505 HydrophobicContact CD1-CD1 3.6Å; Y472-I505 HydrophobicContact CD2-CG2 4.43Å; Y472-I505 HydrophobicContact CE1-CB 4.14Å; Y472-I505 HydrophobicContact CE1-CD1 3.57Å; Y472-I505 HydrophobicContact CE1-CG1 4.35Å; Y472-I505 HydrophobicContact CE2-CB 4.23Å; Y472-I505 HydrophobicContact CE2-CG2 4.07Å; Y472-I505 HydrophobicContact CG-CD1 4.25Å; Y472-L506 WeakPolarHBondContact CE1-O 3.26Å; Y472-L506 PolarHBondContact OH-O 2.96Å; Y472-L534 HydrophobicContact CD1-CD2 4.35Å; Y472-L534 HydrophobicContact CD2-CD1 4.41Å; Y472-L534 HydrophobicContact CD2-CD2 4.07Å; Y472-L534 HydrophobicContact CE1-CD2 4.03Å; Y472-L534 HydrophobicContact CE2-CB 3.85Å; Y472-L534 HydrophobicContact CE2-CD1 4.46Å; Y472-L534 HydrophobicContact CE2-CD2 3.77Å; Y472-L534 HydrophobicContact CE2-CG 4.25Å; Y472-L534 HydrophobicContact CG-CD2 4.35Å; Y472-F535 PolarHBondContact OH-N 2.71Å; Y472-F535 PolarHBondContact OH-O 2.98Å; Y472-F535 VanDerWaalsContact OH-O 3.05Å
473	E	86.8	Confident	93.1	Very high	63 Å²	63	40 Å²	40	29%	0.294	23%	0.228	S	C	.	.			trans	-97.6	172.8	175.2	-74.3	-177.3	169.7	0	0	112.3	K469 G475 L476	K469-E473 WeakPolarHBondContact CE-OE1 3.36Å; K469-E473 WeakPolarHBondContact CE-OE2 3.48Å; K469-E473 WeakPolarHBondContact CG-OE1 3.23Å; K469-E473 IonicContact NZ-OE1 3.79Å; K469-E473 IonicContact NZ-OE2 3.24Å; K469-E473 PolarHBondContact NZ-OE2 3.04Å; E473-G475 PolarHBondContact O-N 2.81Å; E473-G475 VanDerWaalsContact O-N 3.09Å; E473-L476 WeakPolarHBondContact O-CB 3.18Å; E473-L476 VanDerWaalsContact O-CD1 3.28Å; E473-L476 WeakPolarHBondContact O-CD1 3.1Å; E473-L476 WeakPolarHBondContact O-CG 3.4Å; E473-L476 PolarHBondContact O-N 3.29Å
474	N	83.4	Confident	93.3	Very high	157 Å²	157	41.4 Å²	41.4	84%	0.84	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.4	29.3	167.5	-55	-33.2	0	0	0	115.4	L476	N474-L476 VanDerWaalsContact C-N 3.27Å; N474-L476 PolarHBondContact O-N 3.03Å
475	G	82.8	Confident	93.3	Very high	60 Å²	60	46.5 Å²	46.5	62%	0.619	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.3	22.1	177.8	0	0	0	0	0	114.3	E473 M477	E473-G475 PolarHBondContact O-N 2.81Å; E473-G475 VanDerWaalsContact O-N 3.09Å; G475-M477 PolarHBondContact O-N 3.35Å; G475-M477 VanDerWaalsContact O-N 3.11Å
476	L	90	Very high	93.6	Very high	51 Å²	51	46.9 Å²	46.9	27%	0.267	25%	0.248	S	C	.	.	S	Bend	trans	-56.2	-25.8	176.5	-73.7	166.2	0	0	0	113.2	I175 L177 E473 N474 I505 P508	I175-L476 HydrophobicContact CD1-CD2 4.32Å; I175-L476 HydrophobicContact CG2-CD2 4.5Å; L177-L476 HydrophobicContact CD2-CD1 4.08Å; E473-L476 WeakPolarHBondContact O-CB 3.18Å; E473-L476 VanDerWaalsContact O-CD1 3.28Å; E473-L476 WeakPolarHBondContact O-CD1 3.1Å; E473-L476 WeakPolarHBondContact O-CG 3.4Å; E473-L476 PolarHBondContact O-N 3.29Å; N474-L476 VanDerWaalsContact C-N 3.27Å; N474-L476 PolarHBondContact O-N 3.03Å; L476-I505 HydrophobicContact CB-CD1 3.89Å; L476-I505 HydrophobicContact CD1-CD1 3.7Å; L476-I505 HydrophobicContact CG-CD1 4.27Å; L476-P508 WeakPolarHBondContact O-CD 3.37Å
477	M	92.4	Very high	93.9	Very high	5 Å²	5	49.9 Å²	49.9	3%	0.025	26%	0.261	C	S	.	.	S	Bend	trans	-130.6	122.1	172.7	-165.7	160.7	-170.5	0	0	108.2	Y472 G475 Y479 T480 I489 P508 F532 L534	Y472-M477 HydrophobicContact CD1-CB 3.78Å; Y472-M477 HydrophobicContact CD1-SD 4.12Å; Y472-M477 HydrophobicContact CE1-CB 4.21Å; Y472-M477 HydrophobicContact CE1-SD 3.78Å; G475-M477 PolarHBondContact O-N 3.35Å; G475-M477 VanDerWaalsContact O-N 3.11Å; M477-Y479 VanDerWaalsContact C-N 3.32Å; M477-Y479 WeakPolarHBondContact CG-O 3.46Å; M477-Y479 PolarHBondContact O-N 3.13Å; M477-T480 HydrophobicContact SD-CG2 4.24Å; M477-I489 WeakPolarHBondContact O-CD1 3.38Å; M477-P508 HydrophobicContact CG-CB 4.36Å; M477-F532 HydrophobicContact CE-CB 3.5Å; M477-F532 HydrophobicContact CE-CG 4.3Å; M477-L534 HydrophobicContact CE-CD2 4.29Å; M477-L534 HydrophobicContact SD-CD2 3.42Å; M477-L534 WeakPolarHBondContact SD-CD2 3.37Å
478	P	94	Very high	94	Very high	72 Å²	72	43.2 Å²	43.2	47%	0.468	23%	0.234	S	C	.	.	S	Bend	trans	-73.7	-25.6	-174.8	28.2	-34.2	0	0	0	112.9
479	Y	96.4	Very high	94.1	Very high	16 Å²	16	44.5 Å²	44.5	6%	0.063	24%	0.24	C	C	.	.			trans	-158.5	147.9	-179.1	39	-103.8	0	0	0	110	M477 Y482 H511 L514 F532	M477-Y479 VanDerWaalsContact C-N 3.32Å; M477-Y479 WeakPolarHBondContact CG-O 3.46Å; M477-Y479 PolarHBondContact O-N 3.13Å; Y479-Y482 HydrophobicContact CD1-CD2 4.01Å; Y479-Y482 HydrophobicContact CD1-CE2 4.36Å; Y479-Y482 AromaticContact CD2-CD2 3.61Å; Y479-Y482 HydrophobicContact CD2-CD2 3.61Å; Y479-Y482 HydrophobicContact CD2-CE2 4.48Å; Y479-Y482 HydrophobicContact CD2-CG 4.29Å; Y479-Y482 AromaticContact CE1-CD2 3.9Å; Y479-Y482 HydrophobicContact CE1-CD2 3.9Å; Y479-Y482 AromaticContact CE1-CE2 3.88Å; Y479-Y482 HydrophobicContact CE1-CE2 3.88Å; Y479-Y482 AromaticContact CE2-CD2 3.5Å; Y479-Y482 HydrophobicContact CE2-CD2 3.5Å; Y479-Y482 HydrophobicContact CE2-CE2 4.02Å; Y479-Y482 HydrophobicContact CE2-CG 4.26Å; Y479-Y482 AromaticContact CG-CD2 3.88Å; Y479-Y482 HydrophobicContact CG-CD2 3.88Å; Y479-Y482 AromaticContact CZ-CD2 3.65Å; Y479-Y482 AromaticContact CZ-CE2 3.69Å; Y479-H511 PolarHBondContact OH-ND1 3.42Å; Y479-L514 HydrophobicContact CE2-CD1 4.48Å; Y479-L514 VanDerWaalsContact OH-CD1 3.26Å; Y479-L514 WeakPolarHBondContact OH-CD1 3.48Å; Y479-F532 AromaticContact CD2-CD2 3.93Å; Y479-F532 HydrophobicContact CD2-CD2 3.93Å; Y479-F532 AromaticContact CD2-CE2 3.73Å; Y479-F532 HydrophobicContact CD2-CE2 3.73Å; Y479-F532 HydrophobicContact CE2-CD2 4.11Å; Y479-F532 AromaticContact CE2-CE2 3.56Å; Y479-F532 HydrophobicContact CE2-CE2 3.56Å; Y479-F532 HydrophobicContact CE2-CZ 4.45Å
480	T	97.9	Very high	94.2	Very high	2 Å²	2	41.2 Å²	41.2	1%	0.012	23%	0.226	C	C	.	.	S	Bend	trans	-109.7	-36.9	170.8	64.8	0	0	0	0	110.5	M477 G488 I489 I490 D491 H531 F532 L534	M477-T480 HydrophobicContact SD-CG2 4.24Å; T480-G488 PolarHBondContact N-O 3.28Å; T480-G488 PolarHBondContact OG1-O 3.44Å; T480-I489 HydrophobicContact CG2-CB 4.47Å; T480-I489 HydrophobicContact CG2-CG2 3.96Å; T480-I490 PolarHBondContact OG1-N 3Å; T480-D491 WeakPolarHBondContact CB-OD2 3.3Å; T480-D491 HydrophobicContact CG2-CB 4.16Å; T480-D491 PolarHBondContact OG1-N 3.33Å; T480-D491 PolarHBondContact OG1-OD2 3.41Å; T480-H531 CarbonylContact O-C 3.47Å; T480-H531 WeakPolarHBondContact O-CA 3.43Å; T480-F532 PolarHBondContact O-N 3.42Å; T480-L534 HydrophobicContact CG2-CD2 3.87Å
481	N	98.5	Very high	94.3	Very high	10 Å²	10	40.9 Å²	40.9	5%	0.053	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	133.2	165.6	-177.8	-82.4	0	0	0	110.1	F486 K487 G488 I490 D530 H531	N481-F486 HydrophobicContact CB-CD1 4.36Å; N481-F486 HydrophobicContact CB-CE1 4.21Å; N481-F486 WeakPolarHBondContact OD1-CD1 3.39Å; N481-K487 WeakPolarHBondContact O-CA 3.26Å; N481-G488 PolarHBondContact N-O 2.93Å; N481-G488 PolarHBondContact O-N 3.04Å; N481-G488 VanDerWaalsContact O-N 3.12Å; N481-I490 HydrophobicContact CB-CD1 3.67Å; N481-I490 HydrophobicContact CB-CG1 3.84Å; N481-D530 WeakPolarHBondContact CA-O 3.42Å; N481-D530 PolarHBondContact ND2-OD2 3.1Å; N481-H531 PolarHBondContact ND2-CD2 3.04Å; N481-H531 PolarHBondContact ND2-CE1 3.37Å; N481-H531 PolarHBondContact ND2-NE2 3.39Å
482	Y	97.8	Very high	94.3	Very high	15 Å²	15	41.2 Å²	41.2	6%	0.059	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	86.7	-176.9	-170.4	-89.4	0	0	0	110	Y479 K487 L514 I519 C522 D530 F532	Y479-Y482 HydrophobicContact CD1-CD2 4.01Å; Y479-Y482 HydrophobicContact CD1-CE2 4.36Å; Y479-Y482 AromaticContact CD2-CD2 3.61Å; Y479-Y482 HydrophobicContact CD2-CD2 3.61Å; Y479-Y482 HydrophobicContact CD2-CE2 4.48Å; Y479-Y482 HydrophobicContact CD2-CG 4.29Å; Y479-Y482 AromaticContact CE1-CD2 3.9Å; Y479-Y482 HydrophobicContact CE1-CD2 3.9Å; Y479-Y482 AromaticContact CE1-CE2 3.88Å; Y479-Y482 HydrophobicContact CE1-CE2 3.88Å; Y479-Y482 AromaticContact CE2-CD2 3.5Å; Y479-Y482 HydrophobicContact CE2-CD2 3.5Å; Y479-Y482 HydrophobicContact CE2-CE2 4.02Å; Y479-Y482 HydrophobicContact CE2-CG 4.26Å; Y479-Y482 AromaticContact CG-CD2 3.88Å; Y479-Y482 HydrophobicContact CG-CD2 3.88Å; Y479-Y482 AromaticContact CZ-CD2 3.65Å; Y479-Y482 AromaticContact CZ-CE2 3.69Å; Y482-K487 HydrophobicContact CD2-CB 4.41Å; Y482-K487 HydrophobicContact CD2-CD 3.85Å; Y482-K487 HydrophobicContact CD2-CG 3.78Å; Y482-K487 HydrophobicContact CE2-CD 3.54Å; Y482-K487 HydrophobicContact CE2-CG 4.03Å; Y482-K487 HydrophobicContact CG-CG 4.35Å; Y482-L514 HydrophobicContact CE2-CD1 4.45Å; Y482-I519 PolarHBondContact OH-O 2.68Å; Y482-I519 VanDerWaalsContact OH-O 3.09Å; Y482-C522 HydrophobicContact CD1-CB 4.49Å; Y482-C522 WeakPolarHBondContact O-CA 3.43Å; Y482-C522 WeakPolarHBondContact O-CB 3.19Å; Y482-C522 PolarHBondContact O-N 3.47Å; Y482-D530 PolarHBondContact N-O 3.23Å; Y482-F532 HydrophobicContact CG-CE2 4.1Å
483	T	97.1	Very high	94.5	Very high	20 Å²	20	40 Å²	40	12%	0.123	22%	0.22	C	C	.	.			trans	-107.2	174.7	170.6	64.4	0	0	0	0	110.2	Y207 Y209 F486 K487 D530	Y207-T483 HydrophobicContact CE1-CG2 4.01Å; Y209-T483 WeakPolarHBondContact OH-CA 3.31Å; T483-F486 CarbonylContact C-O 3.44Å; T483-F486 PolarHBondContact N-O 3.45Å; T483-F486 PolarHBondContact OG1-N 2.82Å; T483-F486 PolarHBondContact OG1-O 2.84Å; T483-K487 WeakPolarHBondContact O-CG 3.49Å; T483-K487 PolarHBondContact O-NZ 3.24Å; T483-D530 HydrophobicContact CG2-CB 3.79Å
484	F	92.9	Very high	95	Very high	44 Å²	44	37.1 Å²	37.1	19%	0.193	21%	0.206	C	C	.	.	S	Bend	trans	-59.4	-52.3	172.9	179.2	-97.2	0	0	0	111.8	V97 F120 Y209 K487	V97-F484 HydrophobicContact CB-CE2 4.2Å; V97-F484 HydrophobicContact CG2-CE2 3.52Å; V97-F484 HydrophobicContact CG2-CZ 4.06Å; F120-F484 HydrophobicContact CE1-CD2 4.19Å; F120-F484 HydrophobicContact CE1-CE2 4.43Å; F120-F484 HydrophobicContact CE1-CG 4.37Å; F120-F484 HydrophobicContact CE2-CD1 4.12Å; F120-F484 HydrophobicContact CE2-CG 4.28Å; F120-F484 HydrophobicContact CZ-CB 4.07Å; F120-F484 AromaticContact CZ-CD1 3.63Å; F120-F484 HydrophobicContact CZ-CD1 3.63Å; F120-F484 AromaticContact CZ-CD2 3.7Å; F120-F484 HydrophobicContact CZ-CD2 3.7Å; F120-F484 AromaticContact CZ-CE1 3.97Å; F120-F484 HydrophobicContact CZ-CE1 3.97Å; F120-F484 HydrophobicContact CZ-CE2 4.01Å; F120-F484 AromaticContact CZ-CG 3.49Å; F120-F484 HydrophobicContact CZ-CG 3.49Å; F120-F484 VanDerWaalsContact CZ-CG 3.49Å; F120-F484 HydrophobicContact CZ-CZ 4.12Å; Y209-F484 HydrophobicContact CD1-CB 3.85Å; Y209-F484 HydrophobicContact CE1-CB 3.48Å; Y209-F484 VanDerWaalsContact CE1-CB 3.48Å; Y209-F484 PolarHBondContact OH-N 3.16Å; F484-K487 PolarHBondContact O-NZ 3.24Å; F484-K487 VanDerWaalsContact O-NZ 3.1Å
485	D	91.8	Very high	95.7	Very high	115 Å²	115	29.8 Å²	29.8	62%	0.615	17%	0.167	S	C	*	.	S	Bend	trans	-79.8	-26.3	-173.6	-63.2	-48.9	0	0	0	113.6
486	F	96.3	Very high	96.3	Very high	60 Å²	60	27.1 Å²	27.1	26%	0.263	14%	0.139	S	C	.	.			trans	-138.1	132.7	-176.4	177.1	-100.7	0	0	0	112	L416 N481 T483 I490	L416-F486 HydrophobicContact CD2-CE2 4.27Å; L416-F486 HydrophobicContact CD2-CZ 3.93Å; N481-F486 HydrophobicContact CB-CD1 4.36Å; N481-F486 HydrophobicContact CB-CE1 4.21Å; N481-F486 WeakPolarHBondContact OD1-CD1 3.39Å; T483-F486 CarbonylContact C-O 3.44Å; T483-F486 PolarHBondContact N-O 3.45Å; T483-F486 PolarHBondContact OG1-N 2.82Å; T483-F486 PolarHBondContact OG1-O 2.84Å; F486-I490 HydrophobicContact CE1-CD1 4.14Å; F486-I490 HydrophobicContact CE1-CG2 4.01Å; F486-I490 HydrophobicContact CZ-CG2 3.85Å
487	K	96.9	Very high	96.3	Very high	91 Å²	91	27.6 Å²	27.6	40%	0.396	14%	0.139	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	118.4	173.8	-62.1	171	176.9	61.5	0	107.5	N481 Y482 T483 F484 S520	N481-K487 WeakPolarHBondContact O-CA 3.26Å; Y482-K487 HydrophobicContact CD2-CB 4.41Å; Y482-K487 HydrophobicContact CD2-CD 3.85Å; Y482-K487 HydrophobicContact CD2-CG 3.78Å; Y482-K487 HydrophobicContact CE2-CD 3.54Å; Y482-K487 HydrophobicContact CE2-CG 4.03Å; Y482-K487 HydrophobicContact CG-CG 4.35Å; T483-K487 WeakPolarHBondContact O-CG 3.49Å; T483-K487 PolarHBondContact O-NZ 3.24Å; F484-K487 PolarHBondContact O-NZ 3.24Å; F484-K487 VanDerWaalsContact O-NZ 3.1Å; K487-S520 WeakPolarHBondContact CE-O 3.33Å; K487-S520 PolarHBondContact NZ-O 3.41Å
488	G	96.8	Very high	96.1	Very high	7 Å²	7	31.6 Å²	31.6	7%	0.072	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-173.5	167	-175.4	0	0	0	0	0	113.6	T480 N481	T480-G488 PolarHBondContact N-O 3.28Å; T480-G488 PolarHBondContact OG1-O 3.44Å; N481-G488 PolarHBondContact N-O 2.93Å; N481-G488 PolarHBondContact O-N 3.04Å; N481-G488 VanDerWaalsContact O-N 3.12Å
489	I	98	Very high	95.9	Very high	33 Å²	33	29.7 Å²	29.7	17%	0.169	15%	0.15	C	C	.	.			trans	-88.8	112.8	175.2	-54	170	0	0	0	107	P417 M477 T480 Y492	P417-I489 HydrophobicContact CG-CB 3.97Å; P417-I489 HydrophobicContact CG-CD1 4.02Å; P417-I489 HydrophobicContact CG-CG2 4.33Å; M477-I489 WeakPolarHBondContact O-CD1 3.38Å; T480-I489 HydrophobicContact CG2-CB 4.47Å; T480-I489 HydrophobicContact CG2-CG2 3.96Å; I489-Y492 HydrophobicContact CG2-CE1 3.85Å; I489-Y492 PolarHBondContact O-OH 3.46Å
490	I	98.4	Very high	95.8	Very high	7 Å²	7	29 Å²	29	4%	0.036	15%	0.147	C	C	.	.			trans	-132.4	-8.6	176.1	58.2	170.5	0	0	0	113	L413 L416 T480 N481 F486 Y492	L413-I490 PolarHBondContact N-O 3.09Å; L416-I490 HydrophobicContact CD2-CG2 4.38Å; T480-I490 PolarHBondContact OG1-N 3Å; N481-I490 HydrophobicContact CB-CD1 3.67Å; N481-I490 HydrophobicContact CB-CG1 3.84Å; F486-I490 HydrophobicContact CE1-CD1 4.14Å; F486-I490 HydrophobicContact CE1-CG2 4.01Å; F486-I490 HydrophobicContact CZ-CG2 3.85Å; I490-Y492 VanDerWaalsContact C-CE2 3.44Å; I490-Y492 WeakPolarHBondContact O-CD2 3.17Å; I490-Y492 WeakPolarHBondContact O-CE2 3.27Å
491	D	98.7	Very high	95.6	Very high	3 Å²	3	29.9 Å²	29.9	2%	0.016	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	141.4	175.1	-52.9	-86.5	0	0	0	110.1	A411 T480 H531 L534	A411-D491 WeakPolarHBondContact O-CA 3.13Å; T480-D491 WeakPolarHBondContact CB-OD2 3.3Å; T480-D491 HydrophobicContact CG2-CB 4.16Å; T480-D491 PolarHBondContact OG1-N 3.33Å; T480-D491 PolarHBondContact OG1-OD2 3.41Å; D491-H531 IonicContact OD1-CE1 3.61Å; D491-H531 IonicContact OD1-ND1 2.77Å; D491-H531 PolarHBondContact OD1-ND1 3.34Å; D491-H531 IonicContact OD2-CE1 3.58Å; D491-H531 IonicContact OD2-CG 2.77Å; D491-H531 IonicContact OD2-ND1 3.51Å; D491-H531 PolarHBondContact OD2-ND1 3.32Å; D491-L534 HydrophobicContact CB-CD1 3.91Å; D491-L534 HydrophobicContact CB-CG 4.42Å; D491-L534 WeakPolarHBondContact O-CD1 3.37Å
492	Y	98.6	Very high	95.5	Very high	10 Å²	10	29.9 Å²	29.9	4%	0.039	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	146.4	-174.7	-61.3	-92.8	0	0	0	112.9	C410 A411 L413 S415 P417 V422 I489 I490 F494	C410-Y492 WeakPolarHBondContact CA-O 3.28Å; A411-Y492 PolarHBondContact N-O 3.33Å; A411-Y492 PolarHBondContact O-N 3.14Å; L413-Y492 HydrophobicContact CB-CD2 4.09Å; L413-Y492 HydrophobicContact CB-CE2 4.2Å; L413-Y492 HydrophobicContact CD1-CD2 3.42Å; L413-Y492 VanDerWaalsContact CD1-CD2 3.42Å; L413-Y492 HydrophobicContact CD1-CE2 3.89Å; L413-Y492 HydrophobicContact CD1-CG 4.03Å; L413-Y492 HydrophobicContact CG-CD2 3.82Å; L413-Y492 HydrophobicContact CG-CE2 4.37Å; S415-Y492 WeakPolarHBondContact O-CE2 3.48Å; S415-Y492 PolarHBondContact O-OH 3.46Å; P417-Y492 WeakPolarHBondContact CD-OH 3.1Å; V422-Y492 HydrophobicContact CG2-CE1 4.09Å; V422-Y492 HydrophobicContact CG2-CE2 4.15Å; I489-Y492 HydrophobicContact CG2-CE1 3.85Å; I489-Y492 PolarHBondContact O-OH 3.46Å; I490-Y492 VanDerWaalsContact C-CE2 3.44Å; I490-Y492 WeakPolarHBondContact O-CD2 3.17Å; I490-Y492 WeakPolarHBondContact O-CE2 3.27Å; Y492-F494 AromaticContact CD1-CE2 3.81Å; Y492-F494 HydrophobicContact CD1-CE2 3.81Å; Y492-F494 HydrophobicContact CD1-CZ 4.27Å; Y492-F494 HydrophobicContact CG-CD2 4.4Å; Y492-F494 AromaticContact CG-CE2 3.76Å; Y492-F494 HydrophobicContact CG-CE2 3.76Å
493	I	98.7	Very high	95.5	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	105.5	160.6	-58.9	176.8	0	0	0	106.9	C193 V408 A471 L534 A536	C193-I493 HydrophobicContact CB-CD1 4.03Å; C193-I493 HydrophobicContact CB-CG1 3.68Å; V408-I493 HydrophobicContact CG1-CG2 4.27Å; A471-I493 HydrophobicContact CB-CB 4.11Å; A471-I493 HydrophobicContact CB-CG2 4.29Å; A471-I493 WeakPolarHBondContact CB-O 3.24Å; A471-I493 PolarHBondContact N-O 3.45Å; I493-L534 HydrophobicContact CD1-CB 3.71Å; I493-L534 HydrophobicContact CG1-CB 4.06Å; I493-L534 HydrophobicContact CG1-CD1 4.21Å; I493-A536 HydrophobicContact CD1-CB 4.1Å
494	F	98.6	Very high	95.5	Very high	2 Å²	2	28.3 Å²	28.3	1%	0.009	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	145.7	171	-81	-85.8	0	0	0	110.8	V408 L409 L413 V422 L425 S426 L468 K469 Y492	V408-F494 CarbonylContact C-O 3.55Å; V408-F494 WeakPolarHBondContact CA-O 3.49Å; L409-F494 HydrophobicContact CB-CB 4.03Å; L409-F494 HydrophobicContact CD2-CB 4.39Å; L409-F494 HydrophobicContact CG-CB 4.44Å; L409-F494 PolarHBondContact N-O 3.3Å; L409-F494 PolarHBondContact O-N 2.79Å; L413-F494 HydrophobicContact CD1-CE2 4.26Å; V422-F494 HydrophobicContact CG1-CZ 4.4Å; L425-F494 HydrophobicContact CB-CD1 4.4Å; L425-F494 HydrophobicContact CB-CE1 3.94Å; L425-F494 HydrophobicContact CB-CE2 4.27Å; L425-F494 HydrophobicContact CB-CZ 3.87Å; L425-F494 HydrophobicContact CD1-CD2 4.02Å; L425-F494 HydrophobicContact CD1-CE2 3.63Å; L425-F494 HydrophobicContact CD1-CZ 4.04Å; S426-F494 WeakPolarHBondContact OG-CE1 3.25Å; L468-F494 HydrophobicContact CB-CB 4.27Å; L468-F494 HydrophobicContact CB-CD1 3.82Å; L468-F494 HydrophobicContact CB-CG 4.42Å; L468-F494 HydrophobicContact CD1-CB 4.36Å; K469-F494 CarbonylContact O-C 3.53Å; K469-F494 VanDerWaalsContact O-CA 3.31Å; K469-F494 WeakPolarHBondContact O-CA 3.32Å; Y492-F494 AromaticContact CD1-CE2 3.81Å; Y492-F494 HydrophobicContact CD1-CE2 3.81Å; Y492-F494 HydrophobicContact CD1-CZ 4.27Å; Y492-F494 HydrophobicContact CG-CD2 4.4Å; Y492-F494 AromaticContact CG-CE2 3.76Å; Y492-F494 HydrophobicContact CG-CE2 3.76Å
495	Y	97.7	Very high	95.7	Very high	2 Å²	2	26.2 Å²	26.2	1%	0.008	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	148.6	178	66.2	-81.4	0	0	0	111.7	L407 L468 K469 A471 K497 L500 I502 L538	L407-Y495 WeakPolarHBondContact O-CA 3.49Å; L468-Y495 WeakPolarHBondContact CA-O 3.28Å; K469-Y495 HydrophobicContact CB-CE1 4Å; K469-Y495 HydrophobicContact CB-CE2 4.44Å; K469-Y495 HydrophobicContact CG-CE1 4.35Å; K469-Y495 PolarHBondContact N-O 3.32Å; K469-Y495 WeakPolarHBondContact O-CD1 3.22Å; K469-Y495 WeakPolarHBondContact O-CE1 3.23Å; K469-Y495 PolarHBondContact O-N 2.87Å; A471-Y495 HydrophobicContact CB-CD1 4.38Å; A471-Y495 HydrophobicContact CB-CE1 4.35Å; Y495-K497 HydrophobicContact CE2-CD 4.31Å; Y495-K497 HydrophobicContact CE2-CG 4.18Å; Y495-L500 HydrophobicContact CD2-CB 3.67Å; Y495-L500 WeakPolarHBondContact CD2-O 3.43Å; Y495-L500 VanDerWaalsContact CE2-O 3.25Å; Y495-L500 WeakPolarHBondContact CE2-O 3.12Å; Y495-L500 HydrophobicContact CG-CB 4.43Å; Y495-I502 HydrophobicContact CE1-CB 4.13Å; Y495-I502 HydrophobicContact CE1-CG2 4.36Å; Y495-I502 HydrophobicContact CE2-CB 4.47Å; Y495-I502 WeakPolarHBondContact OH-CG2 3.35Å; Y495-L538 HydrophobicContact CD1-CD2 4.38Å; Y495-L538 HydrophobicContact CD2-CD2 4.49Å; Y495-L538 HydrophobicContact CG-CD2 4.17Å
496	S	94.4	Very high	96	Very high	4 Å²	4	21.9 Å²	21.9	3%	0.028	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	123.9	-178.7	-69.1	0	0	0	0	113.8	L407 F466 Q499 L500	L407-S496 WeakPolarHBondContact CB-OG 3.46Å; L407-S496 PolarHBondContact N-OG 3.11Å; L407-S496 PolarHBondContact O-N 3.2Å; F466-S496 PolarHBondContact O-OG 3.01Å; S496-Q499 PolarHBondContact O-N 3.05Å; S496-L500 WeakPolarHBondContact O-CB 3.45Å; S496-L500 PolarHBondContact O-N 3.12Å
497	K	90.2	Very high	96	Very high	61 Å²	61	19.1 Å²	19.1	27%	0.265	10%	0.099	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.9	144.7	165.1	-78.9	-78	-171.8	-176.7	0	110.6	K467 K469 Y495 L500 N501	K467-K497 VanDerWaalsContact CB-O 3.3Å; K467-K497 WeakPolarHBondContact CB-O 3.31Å; K467-K497 PolarHBondContact O-N 3.2Å; K469-K497 HydrophobicContact CB-CG 4.35Å; Y495-K497 HydrophobicContact CE2-CD 4.31Å; Y495-K497 HydrophobicContact CE2-CG 4.18Å; K497-L500 WeakPolarHBondContact CD-O 3.33Å; K497-L500 WeakPolarHBondContact CE-O 3.47Å; K497-N501 PolarHBondContact NZ-OD1 2.88Å
498	P	88.8	Confident	95.9	Very high	90 Å²	90	16.9 Å²	16.9	58%	0.584	9%	0.094	S	C	*	.	T	Hydrogen-bonded Turn	cis	-92.7	3.1	6.2	36.8	-35.9	0	0	0	114.7	L500	P498-L500 PolarHBondContact O-N 3.05Å
499	Q	89.4	Confident	95.8	Very high	32 Å²	32	17.1 Å²	17.1	15%	0.15	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-35.2	-173.7	-64.7	102.7	-35	0	0	113.8	T404 P406 S496 L540 L541	T404-Q499 PolarHBondContact O-NE2 3.32Å; T404-Q499 PolarHBondContact OG1-NE2 3.08Å; P406-Q499 HydrophobicContact CB-CB 3.91Å; P406-Q499 HydrophobicContact CB-CG 4.41Å; S496-Q499 PolarHBondContact O-N 3.05Å; Q499-L540 HydrophobicContact CB-CD1 4.28Å; Q499-L541 PolarHBondContact O-N 3.12Å
500	L	93.9	Very high	95.5	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	137.1	-177.1	-71	166	0	0	0	111	F189 P406 V408 Y495 S496 K497 P498 L538 E539 L540	F189-L500 HydrophobicContact CE1-CD2 3.93Å; F189-L500 HydrophobicContact CZ-CD2 3.86Å; P406-L500 HydrophobicContact CB-CD1 3.92Å; P406-L500 HydrophobicContact CB-CG 4.09Å; V408-L500 HydrophobicContact CG2-CD1 3.7Å; Y495-L500 HydrophobicContact CD2-CB 3.67Å; Y495-L500 WeakPolarHBondContact CD2-O 3.43Å; Y495-L500 VanDerWaalsContact CE2-O 3.25Å; Y495-L500 WeakPolarHBondContact CE2-O 3.12Å; Y495-L500 HydrophobicContact CG-CB 4.43Å; S496-L500 WeakPolarHBondContact O-CB 3.45Å; S496-L500 PolarHBondContact O-N 3.12Å; K497-L500 WeakPolarHBondContact CD-O 3.33Å; K497-L500 WeakPolarHBondContact CE-O 3.47Å; P498-L500 PolarHBondContact O-N 3.05Å; L500-L538 HydrophobicContact CD2-CB 4.38Å; L500-E539 CarbonylContact C-O 3.49Å; L500-E539 WeakPolarHBondContact CA-O 3.4Å; L500-L540 HydrophobicContact CD2-CB 3.87Å; L500-L540 HydrophobicContact CD2-CD1 3.92Å; L500-L540 HydrophobicContact CD2-CG 4.49Å; L500-L540 HydrophobicContact CG-CD1 4.35Å
501	N	94.9	Very high	95.2	Very high	21 Å²	21	23 Å²	23	11%	0.112	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	147.2	173.2	-87.7	-9.7	0	0	0	108.8	Q178 K497 L538 E539	Q178-N501 VanDerWaalsContact NE2-CB 3.34Å; K497-N501 PolarHBondContact NZ-OD1 2.88Å; N501-L538 CarbonylContact O-C 3.25Å; N501-L538 VanDerWaalsContact O-CA 3.26Å; N501-L538 WeakPolarHBondContact O-CA 3.33Å; N501-E539 HydrophobicContact CB-CB 3.88Å; N501-E539 HydrophobicContact CB-CG 4.33Å; N501-E539 WeakPolarHBondContact CB-OE2 3.33Å; N501-E539 PolarHBondContact N-O 3.23Å; N501-E539 PolarHBondContact ND2-OE2 3.29Å; N501-E539 PolarHBondContact O-N 3.25Å
502	I	96	Very high	94.8	Very high	11 Å²	11	28.9 Å²	28.9	6%	0.056	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	120	174.2	-177.4	68.8	0	0	0	107.1	L177 Q178 A471 Y495 I505 A536 L538	L177-I502 HydrophobicContact CD1-CG1 3.82Å; L177-I502 HydrophobicContact CD1-CG2 4.09Å; Q178-I502 WeakPolarHBondContact CG-O 3.33Å; A471-I502 HydrophobicContact CB-CD1 3.94Å; A471-I502 HydrophobicContact CB-CG1 4.43Å; Y495-I502 HydrophobicContact CE1-CB 4.13Å; Y495-I502 HydrophobicContact CE1-CG2 4.36Å; Y495-I502 HydrophobicContact CE2-CB 4.47Å; Y495-I502 WeakPolarHBondContact OH-CG2 3.35Å; I502-I505 HydrophobicContact CD1-CG2 3.93Å; I502-I505 HydrophobicContact CG1-CG2 4.16Å; I502-A536 HydrophobicContact CD1-CB 3.6Å; I502-L538 HydrophobicContact CB-CD2 4.33Å; I502-L538 HydrophobicContact CD1-CD2 3.64Å
503	L	96.5	Very high	94.5	Very high	2 Å²	2	29 Å²	29	1%	0.01	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	-41.9	-178.5	-60.4	-175.6	0	0	0	111.6	L177 Q178 P180 L188 Q537 E539	L177-L503 PolarHBondContact N-O 2.83Å; Q178-L503 HydrophobicContact CG-CD2 4.12Å; Q178-L503 PolarHBondContact N-O 3.04Å; Q178-L503 VanDerWaalsContact N-O 3.11Å; P180-L503 HydrophobicContact CB-CD1 4.34Å; P180-L503 HydrophobicContact CB-CD2 4.48Å; P180-L503 HydrophobicContact CG-CD1 3.88Å; P180-L503 HydrophobicContact CG-CD2 4.41Å; L188-L503 HydrophobicContact CD1-CD1 4.5Å; L188-L503 HydrophobicContact CD2-CD1 3.61Å; L503-Q537 HydrophobicContact CB-CB 4.43Å; L503-Q537 HydrophobicContact CB-CG 4.34Å; L503-Q537 HydrophobicContact CD1-CG 4.2Å; L503-Q537 PolarHBondContact N-O 3.11Å; L503-E539 HydrophobicContact CD1-CB 4.04Å; L503-E539 HydrophobicContact CD2-CB 3.94Å; L503-E539 HydrophobicContact CG-CB 3.94Å
504	G	97.1	Very high	94.1	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.6	170.6	177.4	0	0	0	0	0	112.1	W174 I175 Q537	W174-G504 WeakPolarHBondContact CH2-O 3.44Å; W174-G504 VanDerWaalsContact CZ2-C 3.42Å; W174-G504 VanDerWaalsContact CZ2-CA 3.43Å; I175-G504 CarbonylContact O-C 3.52Å; I175-G504 WeakPolarHBondContact O-CA 2.96Å; G504-Q537 PolarHBondContact O-N 3.48Å
505	I	97.8	Very high	93.6	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	158.9	-176.6	58.2	162.7	0	0	0	111.2	I175 L177 A471 Y472 L476 I502 F535 A536	I175-I505 HydrophobicContact CB-CG1 4.01Å; I175-I505 HydrophobicContact CD1-CD1 4.39Å; I175-I505 PolarHBondContact N-O 3.36Å; I175-I505 PolarHBondContact O-N 3.12Å; L177-I505 HydrophobicContact CD1-CG1 4.35Å; L177-I505 HydrophobicContact CD1-CG2 4.2Å; A471-I505 HydrophobicContact CB-CG2 4.43Å; Y472-I505 HydrophobicContact CD1-CD1 3.6Å; Y472-I505 HydrophobicContact CD2-CG2 4.43Å; Y472-I505 HydrophobicContact CE1-CB 4.14Å; Y472-I505 HydrophobicContact CE1-CD1 3.57Å; Y472-I505 HydrophobicContact CE1-CG1 4.35Å; Y472-I505 HydrophobicContact CE2-CB 4.23Å; Y472-I505 HydrophobicContact CE2-CG2 4.07Å; Y472-I505 HydrophobicContact CG-CD1 4.25Å; L476-I505 HydrophobicContact CB-CD1 3.89Å; L476-I505 HydrophobicContact CD1-CD1 3.7Å; L476-I505 HydrophobicContact CG-CD1 4.27Å; I502-I505 HydrophobicContact CD1-CG2 3.93Å; I502-I505 HydrophobicContact CG1-CG2 4.16Å; I505-F535 CarbonylContact C-O 3.58Å; I505-F535 VanDerWaalsContact CA-O 3.29Å; I505-F535 WeakPolarHBondContact CA-O 3.48Å; I505-A536 HydrophobicContact CG2-CB 4.21Å
506	L	97.6	Very high	93.1	Very high	24 Å²	24	40.5 Å²	40.5	13%	0.126	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	116.2	167.9	-170.6	64.8	0	0	0	109.7	R172 Y472 F535	R172-L506 HydrophobicContact CB-CD1 3.69Å; R172-L506 HydrophobicContact CB-CD2 4.31Å; R172-L506 HydrophobicContact CB-CG 3.89Å; R172-L506 PolarHBondContact NH2-O 2.94Å; Y472-L506 WeakPolarHBondContact CE1-O 3.26Å; Y472-L506 PolarHBondContact OH-O 2.96Å; L506-F535 HydrophobicContact CB-CB 3.81Å; L506-F535 HydrophobicContact CB-CD1 4.15Å; L506-F535 HydrophobicContact CB-CG 4.44Å; L506-F535 HydrophobicContact CD2-CB 4.19Å; L506-F535 PolarHBondContact N-O 2.91Å
507	G	96.6	Very high	92.6	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.01	22%	0.215	C	C	.	.			trans	-66.7	178.1	179.4	0	0	0	0	0	113.5	R172 S173	R172-G507 PolarHBondContact NE-O 3.18Å; R172-G507 PolarHBondContact NH2-O 3.38Å; S173-G507 WeakPolarHBondContact O-CA 3.43Å; S173-G507 PolarHBondContact O-N 2.73Å
508	P	95.9	Very high	92.3	Very high	45 Å²	45	43.6 Å²	43.6	29%	0.292	23%	0.225	S	C	.	.	P	Polyproline II helix	trans	-69.3	162.4	-178.6	30.1	-34.9	0	0	0	112.3	L476 M477	L476-P508 WeakPolarHBondContact O-CD 3.37Å; M477-P508 HydrophobicContact CG-CB 4.36Å
509	L	93.8	Very high	92.3	Very high	11 Å²	11	39.7 Å²	39.7	6%	0.058	20%	0.199	C	C	.	.	P	Polyproline II helix	trans	-64	143.5	161.4	-177.7	64.9	0	0	0	109.1	P169 P170 R172 H511 W513 L514 I527 F532	P169-L509 HydrophobicContact CB-CD1 3.95Å; P170-L509 HydrophobicContact CG-CD1 4.44Å; R172-L509 HydrophobicContact CG-CB 4.41Å; R172-L509 HydrophobicContact CG-CD1 4.46Å; L509-H511 PolarHBondContact O-N 3Å; L509-H511 VanDerWaalsContact O-N 3.17Å; L509-W513 HydrophobicContact CD2-CE3 4.18Å; L509-W513 HydrophobicContact CD2-CZ3 4.12Å; L509-L514 HydrophobicContact CD2-CD2 3.94Å; L509-L514 HydrophobicContact CD2-CG 4.25Å; L509-I527 HydrophobicContact CD2-CD1 3.76Å; L509-F532 HydrophobicContact CB-CE1 4.12Å; L509-F532 HydrophobicContact CB-CZ 4.48Å; L509-F532 HydrophobicContact CD2-CE1 3.81Å; L509-F532 HydrophobicContact CD2-CZ 4.17Å
510	D	92.6	Very high	92.3	Very high	75 Å²	75	40 Å²	40	40%	0.401	21%	0.205	S	C	.	.	P	Polyproline II helix	trans	-58.3	120.5	-178.9	-176.8	7.9	0	0	0	111.4	P170 H512 W513 L514	P170-D510 HydrophobicContact CG-CB 3.89Å; D510-H512 VanDerWaalsContact C-N 3.32Å; D510-H512 IonicContact OD1-CD2 3.98Å; D510-H512 PolarHBondContact OD1-N 3.12Å; D510-W513 HydrophobicContact CB-CB 4.09Å; D510-W513 PolarHBondContact O-N 2.83Å; D510-L514 PolarHBondContact O-N 2.83Å
511	H	90.9	Very high	92.3	Very high	89 Å²	89	40 Å²	40	41%	0.412	21%	0.206	S	C	.	.	H	α-helix	trans	-68.5	-32.6	-179.8	-170.2	72.3	0	0	0	112	Y479 L509 L514 I515	Y479-H511 PolarHBondContact OH-ND1 3.42Å; L509-H511 PolarHBondContact O-N 3Å; L509-H511 VanDerWaalsContact O-N 3.17Å; H511-L514 PolarHBondContact O-N 3.02Å; H511-I515 WeakPolarHBondContact NE2-CD1 3.38Å; H511-I515 WeakPolarHBondContact O-CG1 3.27Å; H511-I515 PolarHBondContact O-N 3.1Å; H511-I515 VanDerWaalsContact O-N 3.13Å
512	H	91.1	Very high	92.4	Very high	127 Å²	127	39.1 Å²	39.1	59%	0.588	20%	0.201	S	C	*	.	H	α-helix	trans	-64.4	-43.6	176.6	-73.5	-74.1	0	0	0	110.9	D510 L514 I515 E516	D510-H512 VanDerWaalsContact C-N 3.32Å; D510-H512 IonicContact OD1-CD2 3.98Å; D510-H512 PolarHBondContact OD1-N 3.12Å; H512-L514 VanDerWaalsContact C-N 3.32Å; H512-L514 PolarHBondContact O-N 2.81Å; H512-I515 PolarHBondContact O-N 3Å; H512-I515 VanDerWaalsContact O-N 3.14Å; H512-E516 WeakPolarHBondContact O-CG 3.33Å; H512-E516 PolarHBondContact O-N 2.77Å
513	W	91.3	Very high	92.4	Very high	11 Å²	11	38.6 Å²	38.6	4%	0.042	20%	0.199	C	C	.	.	H	α-helix	trans	-59.3	-40.4	175.3	-176.3	89.2	0	0	0	112.6	E167 P169 P170 L509 D510 I515 E516 N517 I519 L526 I527	E167-W513 WeakPolarHBondContact O-CZ2 3.36Å; P169-W513 HydrophobicContact CB-CE3 4.46Å; P169-W513 HydrophobicContact CB-CH2 3.81Å; P169-W513 HydrophobicContact CB-CZ2 3.97Å; P169-W513 HydrophobicContact CB-CZ3 4.06Å; P170-W513 VanDerWaalsContact CD-CD1 3.5Å; P170-W513 VanDerWaalsContact CD-CG 3.47Å; P170-W513 HydrophobicContact CG-CB 4.12Å; P170-W513 HydrophobicContact CG-CG 4.09Å; L509-W513 HydrophobicContact CD2-CE3 4.18Å; L509-W513 HydrophobicContact CD2-CZ3 4.12Å; D510-W513 HydrophobicContact CB-CB 4.09Å; D510-W513 PolarHBondContact O-N 2.83Å; W513-I515 PolarHBondContact O-N 2.8Å; W513-E516 PolarHBondContact O-N 3.23Å; W513-N517 VanDerWaalsContact CE2-ND2 3.28Å; W513-N517 PolarHBondContact NE1-ND2 2.8Å; W513-N517 WeakPolarHBondContact O-CB 3.48Å; W513-N517 PolarHBondContact O-N 3.35Å; W513-N517 PolarHBondContact O-ND2 2.83Å; W513-I519 HydrophobicContact CE3-CD1 4.19Å; W513-I519 HydrophobicContact CH2-CD1 3.6Å; W513-I519 HydrophobicContact CZ3-CD1 3.35Å; W513-L526 HydrophobicContact CH2-CD1 3.97Å; W513-L526 HydrophobicContact CZ2-CD1 3.97Å; W513-I527 HydrophobicContact CZ3-CD1 4.29Å
514	L	90.8	Very high	92.3	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-61.2	-43.3	175.1	-70.4	170.4	0	0	0	112	Y479 Y482 L509 D510 H511 H512 N518 I519 I527	Y479-L514 HydrophobicContact CE2-CD1 4.48Å; Y479-L514 VanDerWaalsContact OH-CD1 3.26Å; Y479-L514 WeakPolarHBondContact OH-CD1 3.48Å; Y482-L514 HydrophobicContact CE2-CD1 4.45Å; L509-L514 HydrophobicContact CD2-CD2 3.94Å; L509-L514 HydrophobicContact CD2-CG 4.25Å; D510-L514 PolarHBondContact O-N 2.83Å; H511-L514 PolarHBondContact O-N 3.02Å; H512-L514 VanDerWaalsContact C-N 3.32Å; H512-L514 PolarHBondContact O-N 2.81Å; L514-N518 PolarHBondContact O-N 3.39Å; L514-I519 HydrophobicContact CD2-CB 3.9Å; L514-I519 HydrophobicContact CD2-CD1 4.04Å; L514-I519 HydrophobicContact CD2-CG2 3.83Å; L514-I519 PolarHBondContact O-N 2.99Å; L514-I527 HydrophobicContact CD2-CD1 4.06Å
515	I	87.3	Confident	92	Very high	100 Å²	100	42.2 Å²	42.2	51%	0.513	22%	0.217	S	C	.	.	H	α-helix	trans	-65.7	-49.2	177.7	-67.3	170	0	0	0	110.8	H511 H512 W513 N517 N518	H511-I515 WeakPolarHBondContact NE2-CD1 3.38Å; H511-I515 WeakPolarHBondContact O-CG1 3.27Å; H511-I515 PolarHBondContact O-N 3.1Å; H511-I515 VanDerWaalsContact O-N 3.13Å; H512-I515 PolarHBondContact O-N 3Å; H512-I515 VanDerWaalsContact O-N 3.14Å; W513-I515 PolarHBondContact O-N 2.8Å; I515-N517 PolarHBondContact O-N 3.13Å; I515-N518 PolarHBondContact O-N 3.32Å
516	E	87.2	Confident	91.7	Very high	147 Å²	147	44.2 Å²	44.2	69%	0.687	23%	0.228	S	C	*	.	H	α-helix	trans	-60.8	-34.1	-178.4	-73.5	-179.9	173.5	0	0	112.3	H512 W513 N518	H512-E516 WeakPolarHBondContact O-CG 3.33Å; H512-E516 PolarHBondContact O-N 2.77Å; W513-E516 PolarHBondContact O-N 3.23Å; E516-N518 VanDerWaalsContact C-N 3.33Å
517	N	85.4	Confident	91.6	Very high	39 Å²	39	43.6 Å²	43.6	21%	0.209	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	3	177	-71.8	-85.8	0	0	0	113.7	W513 I515 I519	W513-N517 VanDerWaalsContact CE2-ND2 3.28Å; W513-N517 PolarHBondContact NE1-ND2 2.8Å; W513-N517 WeakPolarHBondContact O-CB 3.48Å; W513-N517 PolarHBondContact O-N 3.35Å; W513-N517 PolarHBondContact O-ND2 2.83Å; I515-N517 PolarHBondContact O-N 3.13Å; N517-I519 VanDerWaalsContact C-N 3.27Å; N517-I519 HydrophobicContact CB-CD1 3.86Å; N517-I519 HydrophobicContact CB-CG1 3.9Å; N517-I519 PolarHBondContact O-N 3.2Å
518	N	84.1	Confident	91.6	Very high	90 Å²	90	44.3 Å²	44.3	48%	0.481	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.4	40.9	-177.1	-57.7	-65.2	0	0	0	113.1	L514 I515 E516 S520	L514-N518 PolarHBondContact O-N 3.39Å; I515-N518 PolarHBondContact O-N 3.32Å; E516-N518 VanDerWaalsContact C-N 3.33Å; N518-S520 PolarHBondContact O-N 2.82Å
519	I	89	Confident	91.7	Very high	8 Å²	8	42.1 Å²	42.1	4%	0.041	22%	0.215	C	C	.	.			trans	-88.9	101.8	178.4	-60.2	173.6	0	0	0	108.3	Y482 W513 L514 N517 H524	Y482-I519 PolarHBondContact OH-O 2.68Å; Y482-I519 VanDerWaalsContact OH-O 3.09Å; W513-I519 HydrophobicContact CE3-CD1 4.19Å; W513-I519 HydrophobicContact CH2-CD1 3.6Å; W513-I519 HydrophobicContact CZ3-CD1 3.35Å; L514-I519 HydrophobicContact CD2-CB 3.9Å; L514-I519 HydrophobicContact CD2-CD1 4.04Å; L514-I519 HydrophobicContact CD2-CG2 3.83Å; L514-I519 PolarHBondContact O-N 2.99Å; N517-I519 VanDerWaalsContact C-N 3.27Å; N517-I519 HydrophobicContact CB-CD1 3.86Å; N517-I519 HydrophobicContact CB-CG1 3.9Å; N517-I519 PolarHBondContact O-N 3.2Å; I519-H524 HydrophobicContact CG2-CB 4.47Å
520	S	87.9	Confident	91.9	Very high	38 Å²	38	42.1 Å²	42.1	27%	0.266	22%	0.215	S	C	.	.			trans	-88.9	-13	-178.3	58.4	0	0	0	0	114.4	K487 N518	K487-S520 WeakPolarHBondContact CE-O 3.33Å; K487-S520 PolarHBondContact NZ-O 3.41Å; N518-S520 PolarHBondContact O-N 2.82Å
521	G	93.9	Very high	92.2	Very high	2 Å²	2	38.9 Å²	38.9	2%	0.021	20%	0.197	C	C	.	.	S	Bend	trans	-170.9	160.2	-178.2	0	0	0	0	0	111.8	Y209	Y209-G521 WeakPolarHBondContact CE2-O 3.42Å
522	C	96.9	Very high	92.6	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.007	18%	0.181	C	C	.	.	S	Bend	trans	-117.9	156.1	176.1	-64.3	0	0	0	0	110.1	Y209 Y482 I527 S529 D530	Y209-C522 PolarHBondContact OH-O 3.1Å; Y482-C522 HydrophobicContact CD1-CB 4.49Å; Y482-C522 WeakPolarHBondContact O-CA 3.43Å; Y482-C522 WeakPolarHBondContact O-CB 3.19Å; Y482-C522 PolarHBondContact O-N 3.47Å; C522-I527 HydrophobicContact CB-CG2 4.14Å; C522-I527 VanDerWaalsContact SG-CD1 3.56Å; C522-S529 WeakPolarHBondContact CB-O 3.37Å; C522-D530 WeakPolarHBondContact O-CB 3.4Å
523	P	96.5	Very high	92.9	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.006	15%	0.153	C	C	.	.	S	Bend	cis	-68.1	159.7	3.7	32.9	-36.4	0	0	0	112.1	L197 Y207 C210 L215 I527	L197-P523 HydrophobicContact CD2-CB 4.42Å; L197-P523 HydrophobicContact CD2-CG 3.8Å; Y207-P523 HydrophobicContact CD1-CG 4.3Å; Y207-P523 HydrophobicContact CG-CG 4.24Å; C210-P523 VanDerWaalsContact CB-O 3.27Å; C210-P523 WeakPolarHBondContact CB-O 3.3Å; C210-P523 PolarHBondContact SG-O 3.28Å; L215-P523 HydrophobicContact CD2-CG 3.46Å; L215-P523 VanDerWaalsContact CD2-CG 3.46Å; P523-I527 CarbonylContact C-O 3.54Å; P523-I527 VanDerWaalsContact CA-O 3.25Å; P523-I527 WeakPolarHBondContact CA-O 3.31Å; P523-I527 WeakPolarHBondContact CB-O 3.33Å
524	H	93.9	Very high	93.3	Very high	51 Å²	51	28.9 Å²	28.9	24%	0.236	15%	0.151	C	C	.	.	B	Isolated β-bridge	trans	-138.1	157.4	-178.9	179.7	-94.9	0	0	0	107.5	I519 L526 I527	I519-H524 HydrophobicContact CG2-CB 4.47Å; H524-L526 PolarHBondContact ND1-N 3.17Å; H524-L526 PolarHBondContact O-N 2.97Å; H524-I527 HydrophobicContact CB-CB 4.19Å; H524-I527 PolarHBondContact N-O 3.19Å; H524-I527 CarbonylContact O-C 3.2Å; H524-I527 VanDerWaalsContact O-C 3.32Å; H524-I527 PolarHBondContact O-N 3.37Å
525	P	91.5	Very high	93.6	Very high	26 Å²	26	30 Å²	30	17%	0.169	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-44.3	-27.9	174	-37.7	38.3	0	0	0	117.3	P211 W213 A214 Y219	P211-P525 HydrophobicContact CG-CG 4.24Å; W213-P525 HydrophobicContact CH2-CB 3.59Å; W213-P525 HydrophobicContact CH2-CG 3.69Å; W213-P525 HydrophobicContact CZ2-CB 4.36Å; W213-P525 HydrophobicContact CZ2-CG 3.97Å; W213-P525 HydrophobicContact CZ3-CB 4.16Å; W213-P525 HydrophobicContact CZ3-CG 4.43Å; A214-P525 HydrophobicContact CB-CB 4.34Å; A214-P525 HydrophobicContact CB-CG 3.87Å; Y219-P525 WeakPolarHBondContact CE1-O 3.47Å; Y219-P525 PolarHBondContact OH-O 3.34Å
526	L	91.4	Very high	94.2	Very high	42 Å²	42	25.2 Å²	25.2	22%	0.22	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.1	-7.1	179.1	-58.4	175.5	0	0	0	114	W513 H524	W513-L526 HydrophobicContact CH2-CD1 3.97Å; W513-L526 HydrophobicContact CZ2-CD1 3.97Å; H524-L526 PolarHBondContact ND1-N 3.17Å; H524-L526 PolarHBondContact O-N 2.97Å
527	I	95.7	Very high	94.7	Very high	11 Å²	11	21.1 Å²	21.1	6%	0.056	11%	0.113	C	C	.	.	B	Isolated β-bridge	trans	-132.2	104.1	-177	-56.4	169.6	0	0	0	107.6	L509 W513 L514 C522 P523 H524 S529 F532	L509-I527 HydrophobicContact CD2-CD1 3.76Å; W513-I527 HydrophobicContact CZ3-CD1 4.29Å; L514-I527 HydrophobicContact CD2-CD1 4.06Å; C522-I527 HydrophobicContact CB-CG2 4.14Å; C522-I527 VanDerWaalsContact SG-CD1 3.56Å; P523-I527 CarbonylContact C-O 3.54Å; P523-I527 VanDerWaalsContact CA-O 3.25Å; P523-I527 WeakPolarHBondContact CA-O 3.31Å; P523-I527 WeakPolarHBondContact CB-O 3.33Å; H524-I527 HydrophobicContact CB-CB 4.19Å; H524-I527 PolarHBondContact N-O 3.19Å; H524-I527 CarbonylContact O-C 3.2Å; H524-I527 VanDerWaalsContact O-C 3.32Å; H524-I527 PolarHBondContact O-N 3.37Å; I527-S529 VanDerWaalsContact C-N 3.35Å; I527-S529 PolarHBondContact O-N 2.75Å; I527-F532 HydrophobicContact CD1-CE1 4.23Å; I527-F532 HydrophobicContact CD1-CZ 4.44Å; I527-F532 HydrophobicContact CG2-CE1 3.99Å
528	P	96.8	Very high	95.2	Very high	16 Å²	16	19.2 Å²	19.2	10%	0.104	10%	0.103	C	C	.	.			trans	-85	-2.6	-162	36	-40.3	0	0	0	115.3	R220 A223 I224	R220-P528 HydrophobicContact CB-CB 4.17Å; R220-P528 WeakPolarHBondContact CD-O 3.36Å; R220-P528 HydrophobicContact CG-CB 4.46Å; R220-P528 PolarHBondContact NH1-O 2.79Å; A223-P528 HydrophobicContact CB-CB 3.76Å; A223-P528 HydrophobicContact CB-CG 3.74Å; I224-P528 HydrophobicContact CG1-CB 3.82Å; I224-P528 HydrophobicContact CG1-CG 3.81Å
529	S	98.3	Very high	95.8	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.08	C	C	.	.	S	Bend	trans	-131.2	157.3	174.3	-173.7	0	0	0	0	109.3	Y194 N195 C522 I527 H531	Y194-S529 WeakPolarHBondContact OH-CB 3.14Å; N195-S529 PolarHBondContact O-OG 2.94Å; C522-S529 WeakPolarHBondContact CB-O 3.37Å; I527-S529 VanDerWaalsContact C-N 3.35Å; I527-S529 PolarHBondContact O-N 2.75Å; S529-H531 PolarHBondContact OG-N 3.17Å
530	D	98.3	Very high	96	Very high	10 Å²	10	14.6 Å²	14.6	5%	0.053	8%	0.078	C	C	.	.	S	Bend	trans	-76.3	-9.2	166.7	60	-33.4	0	0	0	113.2	Y207 N481 Y482 T483 C522	Y207-D530 HydrophobicContact CE1-CB 3.81Å; Y207-D530 VanDerWaalsContact OH-CG 3.25Å; Y207-D530 PolarHBondContact OH-OD2 3Å; N481-D530 WeakPolarHBondContact CA-O 3.42Å; N481-D530 PolarHBondContact ND2-OD2 3.1Å; Y482-D530 PolarHBondContact N-O 3.23Å; T483-D530 HydrophobicContact CG2-CB 3.79Å; C522-D530 WeakPolarHBondContact O-CB 3.4Å
531	H	98.6	Very high	96	Very high	7 Å²	7	14.1 Å²	14.1	3%	0.032	7%	0.072	C	C	.	.	B	Isolated β-bridge	trans	-101.4	150.4	169.3	-63.9	-116	0	0	0	111.9	Y194 N195 D412 T480 N481 D491 S529	Y194-H531 WeakPolarHBondContact CE2-O 3.39Å; N195-H531 HydrophobicContact CB-CB 4.12Å; N195-H531 PolarHBondContact ND2-NE2 3.28Å; D412-H531 IonicContact OD2-CE1 3.92Å; D412-H531 PolarHBondContact OD2-CE1 3.5Å; D412-H531 VanDerWaalsContact OD2-CE1 3.31Å; D412-H531 IonicContact OD2-NE2 3.72Å; T480-H531 CarbonylContact O-C 3.47Å; T480-H531 WeakPolarHBondContact O-CA 3.43Å; N481-H531 PolarHBondContact ND2-CD2 3.04Å; N481-H531 PolarHBondContact ND2-CE1 3.37Å; N481-H531 PolarHBondContact ND2-NE2 3.39Å; D491-H531 IonicContact OD1-CE1 3.61Å; D491-H531 IonicContact OD1-ND1 2.77Å; D491-H531 PolarHBondContact OD1-ND1 3.34Å; D491-H531 IonicContact OD2-CE1 3.58Å; D491-H531 IonicContact OD2-CG 2.77Å; D491-H531 IonicContact OD2-ND1 3.51Å; D491-H531 PolarHBondContact OD2-ND1 3.32Å; S529-H531 PolarHBondContact OG-N 3.17Å
532	F	98.2	Very high	95.4	Very high	14 Å²	14	14.1 Å²	14.1	6%	0.061	7%	0.072	C	C	.	.	P	Polyproline II helix	trans	-96.9	138.7	166.4	-66.8	-68.9	0	0	0	109.9	M477 Y479 T480 Y482 L509 I527	M477-F532 HydrophobicContact CE-CB 3.5Å; M477-F532 HydrophobicContact CE-CG 4.3Å; Y479-F532 AromaticContact CD2-CD2 3.93Å; Y479-F532 HydrophobicContact CD2-CD2 3.93Å; Y479-F532 AromaticContact CD2-CE2 3.73Å; Y479-F532 HydrophobicContact CD2-CE2 3.73Å; Y479-F532 HydrophobicContact CE2-CD2 4.11Å; Y479-F532 AromaticContact CE2-CE2 3.56Å; Y479-F532 HydrophobicContact CE2-CE2 3.56Å; Y479-F532 HydrophobicContact CE2-CZ 4.45Å; T480-F532 PolarHBondContact O-N 3.42Å; Y482-F532 HydrophobicContact CG-CE2 4.1Å; L509-F532 HydrophobicContact CB-CE1 4.12Å; L509-F532 HydrophobicContact CB-CZ 4.48Å; L509-F532 HydrophobicContact CD2-CE1 3.81Å; L509-F532 HydrophobicContact CD2-CZ 4.17Å; I527-F532 HydrophobicContact CD1-CE1 4.23Å; I527-F532 HydrophobicContact CD1-CZ 4.44Å; I527-F532 HydrophobicContact CG2-CE1 3.99Å
533	S	98.2	Very high	94.1	Very high	1 Å²	1	16.9 Å²	16.9	1%	0.007	9%	0.09	C	C	.	.	P	Polyproline II helix	trans	-63.2	140.1	178	69.3	0	0	0	0	111.4	R172 E227	R172-S533 VanDerWaalsContact CZ-O 3.3Å; R172-S533 PolarHBondContact NH1-O 3.48Å; R172-S533 PolarHBondContact NH1-OG 3.04Å; R172-S533 PolarHBondContact NH2-O 3.16Å; E227-S533 WeakPolarHBondContact OE1-CB 3.33Å; E227-S533 PolarHBondContact OE1-OG 3.05Å
534	L	98.7	Very high	92.4	Very high	2 Å²	2	23 Å²	23	1%	0.01	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	139.3	164.8	-59.8	-177	0	0	0	108.7	M192 C193 Y472 M477 T480 D491 I493	M192-L534 CarbonylContact C-O 3.32Å; M192-L534 VanDerWaalsContact CA-O 3.23Å; M192-L534 WeakPolarHBondContact CA-O 3.49Å; C193-L534 HydrophobicContact CB-CB 4.21Å; C193-L534 PolarHBondContact N-O 2.78Å; C193-L534 PolarHBondContact O-N 2.89Å; Y472-L534 HydrophobicContact CD1-CD2 4.35Å; Y472-L534 HydrophobicContact CD2-CD1 4.41Å; Y472-L534 HydrophobicContact CD2-CD2 4.07Å; Y472-L534 HydrophobicContact CE1-CD2 4.03Å; Y472-L534 HydrophobicContact CE2-CB 3.85Å; Y472-L534 HydrophobicContact CE2-CD1 4.46Å; Y472-L534 HydrophobicContact CE2-CD2 3.77Å; Y472-L534 HydrophobicContact CE2-CG 4.25Å; Y472-L534 HydrophobicContact CG-CD2 4.35Å; M477-L534 HydrophobicContact CE-CD2 4.29Å; M477-L534 HydrophobicContact SD-CD2 3.42Å; M477-L534 WeakPolarHBondContact SD-CD2 3.37Å; T480-L534 HydrophobicContact CG2-CD2 3.87Å; D491-L534 HydrophobicContact CB-CD1 3.91Å; D491-L534 HydrophobicContact CB-CG 4.42Å; D491-L534 WeakPolarHBondContact O-CD1 3.37Å; I493-L534 HydrophobicContact CD1-CB 3.71Å; I493-L534 HydrophobicContact CG1-CB 4.06Å; I493-L534 HydrophobicContact CG1-CD1 4.21Å
535	F	98.5	Very high	90.5	Very high	23 Å²	23	25.1 Å²	25.1	10%	0.101	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	128.3	177.7	176.4	-84.6	0	0	0	110.2	W174 V191 M192 C231 A233 Y472 I505 L506	W174-F535 HydrophobicContact CE3-CD1 4.44Å; W174-F535 HydrophobicContact CE3-CE1 4.37Å; W174-F535 HydrophobicContact CH2-CD1 4.37Å; W174-F535 HydrophobicContact CH2-CE1 4.01Å; W174-F535 AromaticContact CZ3-CD1 3.6Å; W174-F535 HydrophobicContact CZ3-CD1 3.6Å; W174-F535 AromaticContact CZ3-CE1 3.5Å; W174-F535 HydrophobicContact CZ3-CE1 3.5Å; V191-F535 WeakPolarHBondContact O-CA 3.44Å; M192-F535 HydrophobicContact CB-CD2 4.35Å; C231-F535 HydrophobicContact CB-CD2 3.72Å; C231-F535 HydrophobicContact CB-CE2 3.97Å; C231-F535 HydrophobicContact CB-CG 4.47Å; C231-F535 VanDerWaalsContact O-CE2 3.22Å; C231-F535 WeakPolarHBondContact O-CE2 3.23Å; A233-F535 HydrophobicContact CB-CD2 3.87Å; A233-F535 HydrophobicContact CB-CE2 3.59Å; Y472-F535 PolarHBondContact OH-N 2.71Å; Y472-F535 PolarHBondContact OH-O 2.98Å; Y472-F535 VanDerWaalsContact OH-O 3.05Å; I505-F535 CarbonylContact C-O 3.58Å; I505-F535 VanDerWaalsContact CA-O 3.29Å; I505-F535 WeakPolarHBondContact CA-O 3.48Å; L506-F535 HydrophobicContact CB-CB 3.81Å; L506-F535 HydrophobicContact CB-CD1 4.15Å; L506-F535 HydrophobicContact CB-CG 4.44Å; L506-F535 HydrophobicContact CD2-CB 4.19Å; L506-F535 PolarHBondContact N-O 2.91Å
536	A	98.2	Very high	88.1	Confident	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	139.5	-172.9	0	0	0	0	0	110.7	S190 V191 A471 I493 I502 I505	S190-A536 CarbonylContact C-O 3.54Å; S190-A536 VanDerWaalsContact CA-O 3.28Å; S190-A536 WeakPolarHBondContact CA-O 3.48Å; V191-A536 PolarHBondContact N-O 2.84Å; V191-A536 PolarHBondContact O-N 3.42Å; A471-A536 HydrophobicContact CB-CB 4.17Å; I493-A536 HydrophobicContact CD1-CB 4.1Å; I502-A536 HydrophobicContact CD1-CB 3.6Å; I505-A536 HydrophobicContact CG2-CB 4.21Å
537	Q	98.3	Very high	85.7	Confident	61 Å²	61	31.8 Å²	31.8	29%	0.285	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	119.4	169.4	-175.1	177	42	0	0	109.4	W174 L503 G504	W174-Q537 HydrophobicContact CH2-CB 3.57Å; W174-Q537 HydrophobicContact CZ2-CB 3.87Å; L503-Q537 HydrophobicContact CB-CB 4.43Å; L503-Q537 HydrophobicContact CB-CG 4.34Å; L503-Q537 HydrophobicContact CD1-CG 4.2Å; L503-Q537 PolarHBondContact N-O 3.11Å; G504-Q537 PolarHBondContact O-N 3.48Å
538	L	97.1	Very high	83.1	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	149	-179	-60.7	176	0	0	0	111	F189 V191 V408 Y495 L500 N501 I502	F189-L538 HydrophobicContact CE1-CB 4.35Å; F189-L538 HydrophobicContact CE2-CB 4.27Å; F189-L538 HydrophobicContact CE2-CD1 3.93Å; F189-L538 HydrophobicContact CZ-CB 4.09Å; F189-L538 HydrophobicContact CZ-CD1 4.06Å; F189-L538 PolarHBondContact N-O 3.07Å; F189-L538 PolarHBondContact O-N 3.15Å; V191-L538 HydrophobicContact CG2-CD1 3.78Å; V191-L538 HydrophobicContact CG2-CG 4.49Å; V408-L538 HydrophobicContact CG1-CD1 4.32Å; V408-L538 HydrophobicContact CG2-CD1 3.72Å; Y495-L538 HydrophobicContact CD1-CD2 4.38Å; Y495-L538 HydrophobicContact CD2-CD2 4.49Å; Y495-L538 HydrophobicContact CG-CD2 4.17Å; L500-L538 HydrophobicContact CD2-CB 4.38Å; N501-L538 CarbonylContact O-C 3.25Å; N501-L538 VanDerWaalsContact O-CA 3.26Å; N501-L538 WeakPolarHBondContact O-CA 3.33Å; I502-L538 HydrophobicContact CB-CD2 4.33Å; I502-L538 HydrophobicContact CD1-CD2 3.64Å
539	E	95.2	Very high	80.4	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	120.4	172	170	-174.6	-112.9	0	0	108.8	P180 D181 T186 L188 L500 N501 L503 L541	P180-E539 VanDerWaalsContact CA-OE1 3.28Å; P180-E539 WeakPolarHBondContact CA-OE1 3.49Å; P180-E539 WeakPolarHBondContact CB-OE1 3.47Å; D181-E539 PolarHBondContact N-OE1 3.38Å; T186-E539 HydrophobicContact CG2-CG 3.95Å; L188-E539 HydrophobicContact CD2-CB 3.67Å; L188-E539 HydrophobicContact CD2-CG 3.86Å; L500-E539 CarbonylContact C-O 3.49Å; L500-E539 WeakPolarHBondContact CA-O 3.4Å; N501-E539 HydrophobicContact CB-CB 3.88Å; N501-E539 HydrophobicContact CB-CG 4.33Å; N501-E539 WeakPolarHBondContact CB-OE2 3.33Å; N501-E539 PolarHBondContact N-O 3.23Å; N501-E539 PolarHBondContact ND2-OE2 3.29Å; N501-E539 PolarHBondContact O-N 3.25Å; L503-E539 HydrophobicContact CD1-CB 4.04Å; L503-E539 HydrophobicContact CD2-CB 3.94Å; L503-E539 HydrophobicContact CG-CB 3.94Å; E539-L541 HydrophobicContact CG-CD2 3.98Å
540	L	93.1	Very high	77.7	Confident	1 Å²	1	47.4 Å²	47.4	1%	0.005	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	118.7	173	176.5	61.8	0	0	0	110.3	T186 A187 F189 L334 Q353 V355 P406 Q499 L500 L542	T186-L540 VanDerWaalsContact CA-O 3.24Å; T186-L540 WeakPolarHBondContact CA-O 3.17Å; T186-L540 WeakPolarHBondContact CB-O 3.4Å; A187-L540 HydrophobicContact CB-CB 4.38Å; A187-L540 PolarHBondContact N-O 3.21Å; A187-L540 PolarHBondContact O-N 2.84Å; F189-L540 HydrophobicContact CE1-CB 4.15Å; L334-L540 HydrophobicContact CD2-CD2 4.47Å; Q353-L540 HydrophobicContact CG-CD2 3.67Å; V355-L540 HydrophobicContact CG2-CD2 3.86Å; P406-L540 HydrophobicContact CB-CD1 4.23Å; P406-L540 HydrophobicContact CG-CD1 3.78Å; Q499-L540 HydrophobicContact CB-CD1 4.28Å; L500-L540 HydrophobicContact CD2-CB 3.87Å; L500-L540 HydrophobicContact CD2-CD1 3.92Å; L500-L540 HydrophobicContact CD2-CG 4.49Å; L500-L540 HydrophobicContact CG-CD1 4.35Å; L540-L542 HydrophobicContact CD2-CD2 4.11Å; L540-L542 HydrophobicContact CG-CD2 4.14Å
541	L	88.5	Confident	74.8	Confident	28 Å²	28	54 Å²	54	15%	0.147	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	116.4	176.4	-55.3	-176.4	0	0	0	110.2	D181 R184 T186 Q499 E539	D181-L541 HydrophobicContact CB-CD2 4.25Å; R184-L541 HydrophobicContact CG-CD2 4.47Å; T186-L541 HydrophobicContact CG2-CD2 3.66Å; Q499-L541 PolarHBondContact O-N 3.12Å; E539-L541 HydrophobicContact CG-CD2 3.98Å
542	L	81.1	Confident	71.9	Confident	1 Å²	1	62.6 Å²	62.6	1%	0.005	35%	0.352	C	S	.	.	P	Polyproline II helix	trans	-87.4	143.6	179.6	-56.4	172	0	0	0	110.5	R184 P185 I339 M350 Q353 L540	R184-L542 VanDerWaalsContact CZ-O 3.27Å; R184-L542 PolarHBondContact NE-O 3.44Å; R184-L542 VanDerWaalsContact NE-O 3.08Å; R184-L542 PolarHBondContact NH2-O 3.08Å; P185-L542 HydrophobicContact CB-CB 4.42Å; P185-L542 HydrophobicContact CB-CD1 4.19Å; P185-L542 WeakPolarHBondContact O-CB 3.3Å; P185-L542 PolarHBondContact O-N 3.14Å; P185-L542 VanDerWaalsContact O-N 3.15Å; I339-L542 HydrophobicContact CB-CD1 4.21Å; I339-L542 HydrophobicContact CD1-CD1 3.91Å; I339-L542 HydrophobicContact CG1-CD1 3.83Å; I339-L542 HydrophobicContact CG2-CD1 3.45Å; I339-L542 VanDerWaalsContact CG2-CD1 3.45Å; M350-L542 HydrophobicContact CE-CD1 4.03Å; Q353-L542 HydrophobicContact CB-CD2 4.38Å; Q353-L542 HydrophobicContact CG-CD2 3.64Å; L540-L542 HydrophobicContact CD2-CD2 4.11Å; L540-L542 HydrophobicContact CG-CD2 4.14Å
543	P	69.8	Low	69.1	Low	60 Å²	60	68.7 Å²	68.7	39%	0.39	38%	0.384	S	S	.	.	P	Polyproline II helix	trans	-58.9	142.4	-179.8	21.6	-30.6	0	0	0	112	L402 L545	L402-P543 HydrophobicContact CD2-CB 4.29Å; L402-P543 HydrophobicContact CD2-CG 4.45Å; L402-P543 HydrophobicContact CG-CB 4.46Å; P543-L545 PolarHBondContact O-N 3.16Å
544	F	60.7	Low	66.3	Low	128 Å²	128	74.3 Å²	74.3	56%	0.561	42%	0.421	S	S	*	.	P	Polyproline II helix	trans	-66.9	116	169.4	-84.8	-84.7	0	0	0	108.5	R184 P546	R184-F544 HydrophobicContact CB-CE1 4.26Å; R184-F544 HydrophobicContact CB-CE2 3.74Å; R184-F544 HydrophobicContact CB-CZ 3.58Å; F544-P546 WeakPolarHBondContact O-CD 3.37Å
545	L	54.1	Low	63.5	Low	96 Å²	96	78 Å²	78	50%	0.503	46%	0.459	S	S	.	.	P	Polyproline II helix	trans	-79.2	118.4	162.8	-73.6	166.3	0	0	0	107.1	M350 P543	M350-L545 HydrophobicContact CG-CD1 4.37Å; P543-L545 PolarHBondContact O-N 3.16Å
546	P	40.7	Very low	60.8	Low	104 Å²	104	88.6 Å²	88.6	68%	0.675	50%	0.499	S	S	*	.	P	Polyproline II helix	trans	-60.8	144.2	171.8	23.9	-29.8	0	0	0	109	F544 V548	F544-P546 WeakPolarHBondContact O-CD 3.37Å; P546-V548 PolarHBondContact O-N 3.22Å
547	P	40.7	Very low	57.9	Low	105 Å²	105	103.7 Å²	103.7	68%	0.682	56%	0.556	S	S	*	*	P	Polyproline II helix	trans	-56.9	128.8	173.2	22.8	-29.8	0	0	0	108.2	N549	P547-N549 PolarHBondContact O-N 3.41Å
548	V	42.6	Very low	55.9	Low	138 Å²	138	105.9 Å²	105.9	84%	0.836	57%	0.569	S	S	*	*			trans	-54.9	106.8	175.4	-178.7	0	0	0	0	107.1	P546 G550	P546-V548 PolarHBondContact O-N 3.22Å; V548-G550 PolarHBondContact O-N 3.04Å; V548-G550 VanDerWaalsContact O-N 3.11Å
549	N	40.5	Very low	53.8	Low	150 Å²	150	111.4 Å²	111.4	80%	0.802	60%	0.599	S	S	*	*			trans	-55.6	121.7	172.5	-85.9	-20.9	0	0	0	107.3	P547 I551	P547-N549 PolarHBondContact O-N 3.41Å; N549-I551 PolarHBondContact O-N 3.31Å
550	G	40.8	Very low	51.5	Low	66 Å²	66	117.6 Å²	117.6	68%	0.68	63%	0.632	S	S	*	*			trans	-49.2	132.8	-178.9	0	0	0	0	0	110.5	V548 H552	V548-G550 PolarHBondContact O-N 3.04Å; V548-G550 VanDerWaalsContact O-N 3.11Å; G550-H552 PolarHBondContact O-N 3.08Å
551	I	37.7	Very low	49	Very low	150 Å²	150	124.5 Å²	124.5	77%	0.769	67%	0.669	S	S	*	*			trans	-49.1	109.1	169.5	-63.9	165.8	0	0	0	107.2	N549 L553	N549-I551 PolarHBondContact O-N 3.31Å; I551-L553 VanDerWaalsContact C-N 3.27Å; I551-L553 PolarHBondContact O-N 3.18Å
552	H	38.3	Very low	46.5	Very low	186 Å²	186	130.5 Å²	130.5	86%	0.861	70%	0.702	S	S	*	*			trans	-64	98	162.1	-109	-58.3	0	0	0	106.2	G550	G550-H552 PolarHBondContact O-N 3.08Å
553	L	38.7	Very low	44.2	Very low	143 Å²	143	139.1 Å²	139.1	75%	0.749	75%	0.748	S	S	*	*			trans	-56.4	127.7	163.5	-78.2	160.3	0	0	0	107.2	I551 G555	I551-L553 VanDerWaalsContact C-N 3.27Å; I551-L553 PolarHBondContact O-N 3.18Å; L553-G555 PolarHBondContact O-N 3.33Å
554	P	40.2	Very low	42.4	Very low	119 Å²	119	144.8 Å²	144.8	77%	0.773	77%	0.774	S	S	*	*			trans	-63.8	114.3	173	24.8	-29	0	0	0	107.4	R556	P554-R556 PolarHBondContact O-N 3.06Å
555	G	38	Very low	41	Very low	80 Å²	80	146.1 Å²	146.1	83%	0.825	79%	0.79	S	S	*	*			trans	-56.8	112.9	175.9	0	0	0	0	0	109.7	L553 R557	L553-G555 PolarHBondContact O-N 3.33Å; G555-R557 PolarHBondContact O-N 3.37Å
556	R	42.4	Very low	39.9	Very low	245 Å²	245	150.3 Å²	150.3	93%	0.925	81%	0.814	S	S	*	*			trans	-74.5	104.9	159.4	-81.5	-175.1	173.4	-166.6	-1.4	107.9	P554	P554-R556 PolarHBondContact O-N 3.06Å
557	R	38.5	Very low	39.8	Very low	317 Å²	317	154.5 Å²	154.5	100%	1.196	83%	0.827	S	S	*	*				172.4	0	120.3	-95.8	-178.7	-178.1	-167.9	1	110.6	G555	G555-R557 PolarHBondContact O-N 3.37Å

Retrieved 557 of 557 residues in 563.7 ms (Link to these results)

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