A0A2K6D2U8_MACNE Loading...

poly(A)-specific ribonuclease

AlphaFold DB , UniProt , Accession A0A2K6D2U8, Species MACNE (Macaca nemestrina, Pig-tailed macaque), Gene CNOT6, 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	28.3	Very low	46.8	Very low	233 Å²	233	134 Å²	134	100%	1.148	68%	0.68	S	S	*	*				0	117.8	0	-70.5	-164.4	161.1	0	0	107.7
2	P	36.8	Very low	47.6	Very low	124 Å²	124	140.1 Å²	140.1	81%	0.805	69%	0.688	S	S	*	*			trans	-67.7	134.5	169.7	6	9.6	0	0	0	107.3	E4	P2-E4 PolarHBondContact O-N 3.1Å; P2-E4 VanDerWaalsContact O-N 3.14Å
3	K	36.3	Very low	48.8	Very low	195 Å²	195	134.5 Å²	134.5	85%	0.848	66%	0.655	S	S	*	*			trans	-57.7	118.4	175.5	-71.9	178.2	171.2	-174.4	0	108.4	Q5	K3-Q5 PolarHBondContact O-N 3.22Å
4	E	43.6	Very low	49.6	Very low	196 Å²	196	138.4 Å²	138.4	92%	0.916	68%	0.675	S	S	*	*	S	Bend	trans	-68.9	-3.7	176.1	-73.7	180	160.3	0	0	113.2	P2	P2-E4 PolarHBondContact O-N 3.1Å; P2-E4 VanDerWaalsContact O-N 3.14Å
5	Q	45.6	Very low	50.6	Low	155 Å²	155	136.3 Å²	136.3	72%	0.724	66%	0.658	S	S	*	*			trans	-111.8	103.6	172.2	-76.9	177.6	-13.6	0	0	109.7	K3 E7	K3-Q5 PolarHBondContact O-N 3.22Å; Q5-E7 PolarHBondContact O-N 3.37Å
6	Y	52.8	Low	51.7	Low	134 Å²	134	136.4 Å²	136.4	53%	0.525	67%	0.669	S	S	.	*			trans	-70.6	108	157.8	174.7	-103.2	0	0	0	107.1	P8 Y15	Y6-P8 HydrophobicContact CD1-CB 4.45Å; Y6-P8 HydrophobicContact CE1-CB 3.98Å; Y6-P8 WeakPolarHBondContact O-CD 3.42Å; Y6-Y15 AromaticContact CD1-CE1 3.85Å; Y6-Y15 HydrophobicContact CD1-CE1 3.85Å; Y6-Y15 HydrophobicContact CE1-CE1 4.46Å; Y6-Y15 PolarHBondContact O-OH 2.64Å
7	E	52.8	Low	53.2	Low	160 Å²	160	135.6 Å²	135.6	75%	0.748	67%	0.667	S	S	*	*			trans	-80.8	114.4	169.5	-75.4	-178.9	164.4	0	0	107.7	Q5	Q5-E7 PolarHBondContact O-N 3.37Å
8	P	53.6	Low	54.6	Low	37 Å²	37	131.1 Å²	131.1	24%	0.24	65%	0.645	C	S	.	*			trans	-67.5	141.5	-179.4	27.9	-31.4	0	0	0	109.4	Y6 D10 Y15	Y6-P8 HydrophobicContact CD1-CB 4.45Å; Y6-P8 HydrophobicContact CE1-CB 3.98Å; Y6-P8 WeakPolarHBondContact O-CD 3.42Å; P8-D10 PolarHBondContact O-N 3.26Å; P8-Y15 HydrophobicContact CB-CE1 4.31Å; P8-Y15 HydrophobicContact CG-CE1 4.03Å
9	P	53.6	Low	56.1	Low	90 Å²	90	126.9 Å²	126.9	58%	0.584	63%	0.63	S	S	*	*	S	Bend	trans	-63.6	-19.9	177.8	19.2	-26.9	0	0	0	113.6	E35	P9-E35 VanDerWaalsContact CG-OE1 3.26Å; P9-E35 WeakPolarHBondContact CG-OE1 3.45Å
10	D	58.6	Low	57.4	Low	31 Å²	31	126.1 Å²	126.1	17%	0.166	64%	0.637	C	S	.	*	S	Bend	trans	-110.2	109.1	167.8	-168.2	-20.1	0	0	0	110.6	P8 R12 R13	P8-D10 PolarHBondContact O-N 3.26Å; D10-R12 PolarHBondContact O-N 3.45Å; D10-R12 VanDerWaalsContact OD1-CB 3.3Å; D10-R12 WeakPolarHBondContact OD1-CB 3.42Å; D10-R12 IonicContact OD1-CZ 3.24Å; D10-R12 PolarHBondContact OD1-N 3.37Å; D10-R12 IonicContact OD1-NE 3.85Å; D10-R12 PolarHBondContact OD1-NE 3.25Å; D10-R12 IonicContact OD1-NH2 2.79Å; D10-R12 IonicContact OD2-CZ 3.77Å; D10-R12 IonicContact OD2-NE 2.68Å; D10-R12 PolarHBondContact OD2-NE 3.05Å; D10-R12 IonicContact OD2-NH2 3.79Å; D10-R12 PolarHBondContact OD2-NH2 3Å; D10-R13 HydrophobicContact CB-CG 4.2Å; D10-R13 PolarHBondContact O-N 3.36Å; D10-R13 VanDerWaalsContact O-N 3.08Å
11	P	53.3	Low	58.6	Low	119 Å²	119	127 Å²	127	77%	0.773	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.2	-6.1	-178.9	27.1	-34	0	0	0	113.8
12	R	56.2	Low	61.2	Low	207 Å²	207	118.7 Å²	118.7	78%	0.781	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.1	-9.7	174	-60.7	171.4	-66.4	172.6	5.6	113.2	D10	D10-R12 PolarHBondContact O-N 3.45Å; D10-R12 VanDerWaalsContact OD1-CB 3.3Å; D10-R12 WeakPolarHBondContact OD1-CB 3.42Å; D10-R12 IonicContact OD1-CZ 3.24Å; D10-R12 PolarHBondContact OD1-N 3.37Å; D10-R12 IonicContact OD1-NE 3.85Å; D10-R12 PolarHBondContact OD1-NE 3.25Å; D10-R12 IonicContact OD1-NH2 2.79Å; D10-R12 IonicContact OD2-CZ 3.77Å; D10-R12 IonicContact OD2-NE 2.68Å; D10-R12 PolarHBondContact OD2-NE 3.05Å; D10-R12 IonicContact OD2-NH2 3.79Å; D10-R12 PolarHBondContact OD2-NH2 3Å
13	R	62.5	Low	63.4	Low	68 Å²	68	115.3 Å²	115.3	26%	0.257	58%	0.58	S	S	.	*			trans	-90.4	108.8	178.4	-66.7	-166.1	-162.9	150	17.2	110.8	D10 E35 H57	D10-R13 HydrophobicContact CB-CG 4.2Å; D10-R13 PolarHBondContact O-N 3.36Å; D10-R13 VanDerWaalsContact O-N 3.08Å; R13-E35 IonicContact CZ-OE2 2.88Å; R13-E35 IonicContact NH1-OE2 2.66Å; R13-E35 PolarHBondContact NH1-OE2 3.45Å; R13-H57 VanDerWaalsContact CZ-CE1 3.4Å; R13-H57 VanDerWaalsContact CZ-NE2 3.31Å; R13-H57 PolarHBondContact NH1-CD2 2.91Å; R13-H57 VanDerWaalsContact NH1-CD2 3.34Å; R13-H57 PolarHBondContact NH2-CE1 3.49Å; R13-H57 VanDerWaalsContact NH2-CG 3.34Å; R13-H57 PolarHBondContact NH2-ND1 3.1Å; R13-H57 PolarHBondContact NH2-NE2 2.84Å
14	M	60.2	Low	65.7	Low	189 Å²	189	110.1 Å²	110.1	93%	0.931	57%	0.573	S	S	*	*			trans	-88.1	119	169.2	-65.4	-176.1	66.8	0	0	109
15	Y	64.8	Low	67.9	Low	107 Å²	107	107 Å²	107	42%	0.42	56%	0.563	S	S	.	*			trans	-111.7	142.6	170.3	62.3	-94.4	0	0	0	109.7	Y6 P8 I17	Y6-Y15 AromaticContact CD1-CE1 3.85Å; Y6-Y15 HydrophobicContact CD1-CE1 3.85Å; Y6-Y15 HydrophobicContact CE1-CE1 4.46Å; Y6-Y15 PolarHBondContact O-OH 2.64Å; P8-Y15 HydrophobicContact CB-CE1 4.31Å; P8-Y15 HydrophobicContact CG-CE1 4.03Å; Y15-I17 HydrophobicContact CD2-CD1 4.22Å; Y15-I17 HydrophobicContact CD2-CG1 3.63Å; Y15-I17 HydrophobicContact CE2-CD1 3.62Å; Y15-I17 HydrophobicContact CE2-CG1 3.55Å
16	T	68.9	Low	69.9	Low	137 Å²	137	102.4 Å²	102.4	84%	0.84	56%	0.557	S	S	*	*			trans	-104.7	111.4	173.2	-53.8	0	0	0	0	107.8
17	I	77.3	Confident	71.4	Confident	123 Å²	123	101.7 Å²	101.7	63%	0.631	56%	0.556	S	S	*	*	P	Polyproline II helix	trans	-76	126.5	171.2	-58.6	-178.4	0	0	0	107.5	Y15 S19	Y15-I17 HydrophobicContact CD2-CD1 4.22Å; Y15-I17 HydrophobicContact CD2-CG1 3.63Å; Y15-I17 HydrophobicContact CE2-CD1 3.62Å; Y15-I17 HydrophobicContact CE2-CG1 3.55Å; I17-S19 PolarHBondContact O-N 2.93Å
18	M	77.8	Confident	72.7	Confident	54 Å²	54	103.3 Å²	103.3	27%	0.266	56%	0.561	S	S	.	*	P	Polyproline II helix	trans	-59.8	130.4	173	177.6	175.8	-70	0	0	110.3	E22 A23 K27 K28	M18-E22 WeakPolarHBondContact CA-OE2 3.38Å; M18-E22 HydrophobicContact CG-CB 3.82Å; M18-A23 HydrophobicContact CG-CB 4.38Å; M18-A23 HydrophobicContact SD-CB 3.92Å; M18-K27 HydrophobicContact CE-CB 3.99Å; M18-K27 HydrophobicContact CE-CD 4.31Å; M18-K27 HydrophobicContact CE-CG 3.97Å; M18-K27 WeakPolarHBondContact CE-O 3.31Å; M18-K28 WeakPolarHBondContact CE-O 3.26Å
19	S	82.8	Confident	74	Confident	53 Å²	53	106 Å²	106	37%	0.371	58%	0.581	S	S	.	*	P	Polyproline II helix	trans	-75.5	157.3	176.6	84.5	0	0	0	0	111.7	I17 E21 E22 A23	I17-S19 PolarHBondContact O-N 2.93Å; S19-E21 PolarHBondContact O-N 3.49Å; S19-E21 PolarHBondContact OG-N 3Å; S19-E22 PolarHBondContact N-OE2 3.28Å; S19-E22 PolarHBondContact O-N 3.21Å; S19-E22 WeakPolarHBondContact OG-CG 3.17Å; S19-E22 PolarHBondContact OG-N 3.28Å; S19-E22 VanDerWaalsContact OG-N 3.17Å; S19-A23 PolarHBondContact O-N 3.49Å
20	S	82.4	Confident	75.3	Confident	110 Å²	110	109 Å²	109	77%	0.769	59%	0.587	S	S	*	*	H	α-helix	trans	-59.5	-29.7	175.8	-54.4	0	0	0	0	112.9	A24	S20-A24 WeakPolarHBondContact O-CB 3.41Å; S20-A24 PolarHBondContact O-N 2.92Å
21	E	83.7	Confident	76.7	Confident	146 Å²	146	113.2 Å²	113.2	68%	0.682	60%	0.6	S	S	*	*	H	α-helix	trans	-74.6	-40	177.9	-170.3	175.6	-172.6	0	0	111.7	S19 A23 A24 N25	S19-E21 PolarHBondContact O-N 3.49Å; S19-E21 PolarHBondContact OG-N 3Å; E21-A23 VanDerWaalsContact C-N 3.34Å; E21-A24 PolarHBondContact O-N 3.27Å; E21-N25 PolarHBondContact O-N 2.82Å; E21-N25 PolarHBondContact O-ND2 3.1Å
22	E	82.8	Confident	78.5	Confident	58 Å²	58	108.4 Å²	108.4	27%	0.271	57%	0.571	S	S	.	*	H	α-helix	trans	-63.2	-41.1	173.1	-71.8	-179.7	125.6	0	0	111.9	M18 S19 N25 K27	M18-E22 WeakPolarHBondContact CA-OE2 3.38Å; M18-E22 HydrophobicContact CG-CB 3.82Å; S19-E22 PolarHBondContact N-OE2 3.28Å; S19-E22 PolarHBondContact O-N 3.21Å; S19-E22 WeakPolarHBondContact OG-CG 3.17Å; S19-E22 PolarHBondContact OG-N 3.28Å; S19-E22 VanDerWaalsContact OG-N 3.17Å; E22-N25 PolarHBondContact O-N 3.42Å; E22-K27 HydrophobicContact CB-CB 4.31Å; E22-K27 HydrophobicContact CB-CD 3.96Å; E22-K27 HydrophobicContact CG-CD 4.17Å; E22-K27 WeakPolarHBondContact O-CB 3.26Å; E22-K27 PolarHBondContact O-N 2.79Å; E22-K27 VanDerWaalsContact O-N 3.12Å; E22-K27 IonicContact OE1-NZ 3.71Å; E22-K27 PolarHBondContact OE1-NZ 2.87Å
23	A	82.5	Confident	80.2	Confident	52 Å²	52	103.6 Å²	103.6	43%	0.43	56%	0.557	S	S	.	*	H	α-helix	trans	-64.5	-42.1	175.2	0	0	0	0	0	111.8	M18 S19 E21 N25 G26	M18-A23 HydrophobicContact CG-CB 4.38Å; M18-A23 HydrophobicContact SD-CB 3.92Å; S19-A23 PolarHBondContact O-N 3.49Å; E21-A23 VanDerWaalsContact C-N 3.34Å; A23-N25 VanDerWaalsContact C-N 3.27Å; A23-N25 PolarHBondContact O-N 2.67Å; A23-G26 PolarHBondContact O-N 3.42Å
24	A	85.1	Confident	81.7	Confident	86 Å²	86	102.4 Å²	102.4	71%	0.711	56%	0.556	S	S	*	*	H	α-helix	trans	-63.8	-31.3	176.7	0	0	0	0	0	112.8	S20 E21 G26	S20-A24 WeakPolarHBondContact O-CB 3.41Å; S20-A24 PolarHBondContact O-N 2.92Å; E21-A24 PolarHBondContact O-N 3.27Å; A24-G26 PolarHBondContact O-N 3.08Å
25	N	88.8	Confident	83.3	Confident	132 Å²	132	96.3 Å²	96.3	71%	0.706	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	9.3	174.2	-71.5	-31.7	0	0	0	113.9	E21 E22 A23 K27	E21-N25 PolarHBondContact O-N 2.82Å; E21-N25 PolarHBondContact O-ND2 3.1Å; E22-N25 PolarHBondContact O-N 3.42Å; A23-N25 VanDerWaalsContact C-N 3.27Å; A23-N25 PolarHBondContact O-N 2.67Å; N25-K27 PolarHBondContact O-N 2.83Å
26	G	86.8	Confident	84.7	Confident	57 Å²	57	93.3 Å²	93.3	59%	0.588	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.9	12.2	174.5	0	0	0	0	0	115	A23 A24 K28	A23-G26 PolarHBondContact O-N 3.42Å; A24-G26 PolarHBondContact O-N 3.08Å; G26-K28 PolarHBondContact O-N 3.17Å
27	K	84.3	Confident	85.7	Confident	119 Å²	119	90.6 Å²	90.6	52%	0.517	50%	0.502	S	S	.	.	P	Polyproline II helix	trans	-65.8	129.6	173.4	-157.1	176.4	-176.3	176.3	0	108.7	M18 E22 N25	M18-K27 HydrophobicContact CE-CB 3.99Å; M18-K27 HydrophobicContact CE-CD 4.31Å; M18-K27 HydrophobicContact CE-CG 3.97Å; M18-K27 WeakPolarHBondContact CE-O 3.31Å; E22-K27 HydrophobicContact CB-CB 4.31Å; E22-K27 HydrophobicContact CB-CD 3.96Å; E22-K27 HydrophobicContact CG-CD 4.17Å; E22-K27 WeakPolarHBondContact O-CB 3.26Å; E22-K27 PolarHBondContact O-N 2.79Å; E22-K27 VanDerWaalsContact O-N 3.12Å; E22-K27 IonicContact OE1-NZ 3.71Å; E22-K27 PolarHBondContact OE1-NZ 2.87Å; N25-K27 PolarHBondContact O-N 2.83Å
28	K	81.4	Confident	86.3	Confident	194 Å²	194	87.8 Å²	87.8	84%	0.843	50%	0.503	S	S	*	.	P	Polyproline II helix	trans	-90.5	136	177.4	-65.5	-175.4	-178.9	179.8	0	110	M18 G26	M18-K28 WeakPolarHBondContact CE-O 3.26Å; G26-K28 PolarHBondContact O-N 3.17Å
29	S	79.6	Confident	87	Confident	94 Å²	94	93.1 Å²	93.1	66%	0.657	53%	0.525	S	S	*	.	P	Polyproline II helix	trans	-69.7	142.5	172.7	58.6	0	0	0	0	109.7
30	H	82.1	Confident	87.7	Confident	154 Å²	154	92.4 Å²	92.4	71%	0.713	52%	0.518	S	S	*	.			trans	-129.4	131	173.7	-177.4	-85	0	0	0	107.6
31	W	88.1	Confident	88.3	Confident	118 Å²	118	96.8 Å²	96.8	45%	0.447	52%	0.518	S	S	.	.			trans	-132.7	136.4	173.3	55	-79.2	0	0	0	106.9	L34 L50 H52 L53	W31-L34 HydrophobicContact CZ3-CB 4.22Å; W31-L34 HydrophobicContact CZ3-CD1 4.35Å; W31-L50 HydrophobicContact CH2-CD1 3.75Å; W31-L50 HydrophobicContact CH2-CD2 4.07Å; W31-L50 HydrophobicContact CH2-CG 4.43Å; W31-L50 HydrophobicContact CZ2-CD2 4.48Å; W31-L50 HydrophobicContact CZ3-CD1 4.34Å; W31-H52 AromaticContact CD2-NE2 3.97Å; W31-H52 AromaticContact CE2-NE2 3.73Å; W31-H52 AromaticContact CH2-NE2 3.65Å; W31-H52 AromaticContact CZ2-NE2 3.56Å; W31-H52 AromaticContact CZ3-NE2 3.89Å; W31-H52 PolarHBondContact O-CD2 3.2Å; W31-H52 VanDerWaalsContact O-CD2 3.25Å; W31-L53 HydrophobicContact CE3-CD2 3.84Å; W31-L53 HydrophobicContact CZ3-CD2 3.59Å; W31-L53 HydrophobicContact CZ3-CG 4.45Å
32	A	90.3	Very high	88.7	Confident	19 Å²	19	94.4 Å²	94.4	16%	0.157	52%	0.518	C	S	.	.			trans	-119.7	-3.6	179.8	0	0	0	0	0	111.7	L53 T54 A55	A32-L53 CarbonylContact O-C 3.54Å; A32-L53 WeakPolarHBondContact O-CA 3.28Å; A32-L53 WeakPolarHBondContact O-CD2 3.28Å; A32-T54 HydrophobicContact CB-CG2 4.19Å; A32-T54 VanDerWaalsContact CB-OG1 3.3Å; A32-T54 WeakPolarHBondContact CB-OG1 3.39Å; A32-T54 PolarHBondContact O-N 2.82Å; A32-T54 PolarHBondContact O-OG1 3.25Å; A32-A55 PolarHBondContact O-N 2.63Å; A32-A55 VanDerWaalsContact O-N 3.14Å
33	E	92.7	Very high	89.2	Confident	105 Å²	105	93.4 Å²	93.4	49%	0.491	51%	0.514	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	138.6	-174.5	-50.6	-170.8	-175.6	0	0	109.4	A55	E33-A55 WeakPolarHBondContact CA-O 3.48Å; E33-A55 HydrophobicContact CB-CB 4.09Å; E33-A55 HydrophobicContact CG-CB 3.76Å
34	L	93.7	Very high	89.8	Confident	43 Å²	43	94.7 Å²	94.7	23%	0.225	52%	0.52	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	129.9	175.6	-177.8	63.5	0	0	0	110.2	W31 I36 L47 L50 L53 A55 L56 H57	W31-L34 HydrophobicContact CZ3-CB 4.22Å; W31-L34 HydrophobicContact CZ3-CD1 4.35Å; L34-I36 HydrophobicContact CD2-CD1 4.12Å; L34-I36 HydrophobicContact CD2-CG1 4.3Å; L34-I36 HydrophobicContact CG-CD1 4.5Å; L34-I36 HydrophobicContact CG-CG1 4.14Å; L34-L47 HydrophobicContact CD2-CD1 3.42Å; L34-L47 VanDerWaalsContact CD2-CD1 3.42Å; L34-L50 HydrophobicContact CD2-CD1 4.17Å; L34-L53 HydrophobicContact CB-CD1 4.09Å; L34-L53 HydrophobicContact CB-CD2 3.95Å; L34-L53 HydrophobicContact CD2-CD1 4.25Å; L34-A55 PolarHBondContact N-O 3.07Å; L34-L56 HydrophobicContact CB-CD1 4.1Å; L34-L56 HydrophobicContact CD2-CD1 4.22Å; L34-L56 HydrophobicContact CG-CD1 4.32Å; L34-L56 WeakPolarHBondContact O-CA 3.21Å; L34-H57 PolarHBondContact O-N 3.29Å
35	E	93.8	Very high	90.2	Very high	62 Å²	62	94.1 Å²	94.1	29%	0.29	52%	0.515	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	131.1	171.5	-176.9	172.4	160	0	0	110.1	P9 R13 H57	P9-E35 VanDerWaalsContact CG-OE1 3.26Å; P9-E35 WeakPolarHBondContact CG-OE1 3.45Å; R13-E35 IonicContact CZ-OE2 2.88Å; R13-E35 IonicContact NH1-OE2 2.66Å; R13-E35 PolarHBondContact NH1-OE2 3.45Å; E35-H57 WeakPolarHBondContact CA-O 3.15Å; E35-H57 HydrophobicContact CB-CB 3.98Å; E35-H57 HydrophobicContact CG-CB 3.88Å
36	I	94.1	Very high	90.5	Very high	43 Å²	43	91.7 Å²	91.7	22%	0.221	51%	0.508	C	S	.	.			trans	-125.5	118.6	174.3	-53.3	178.9	0	0	0	107.2	L34 V40 L43 L47 H57 L58 N61	L34-I36 HydrophobicContact CD2-CD1 4.12Å; L34-I36 HydrophobicContact CD2-CG1 4.3Å; L34-I36 HydrophobicContact CG-CD1 4.5Å; L34-I36 HydrophobicContact CG-CG1 4.14Å; I36-V40 HydrophobicContact CG2-CG2 3.77Å; I36-L43 HydrophobicContact CD1-CD2 3.9Å; I36-L47 HydrophobicContact CD1-CD2 4.1Å; I36-H57 PolarHBondContact N-O 3.34Å; I36-L58 HydrophobicContact CB-CD2 3.76Å; I36-L58 HydrophobicContact CD1-CD2 3.91Å; I36-L58 HydrophobicContact CG1-CD2 4.05Å; I36-N61 PolarHBondContact O-ND2 2.94Å
37	S	90.6	Very high	90.9	Very high	81 Å²	81	89.5 Å²	89.5	57%	0.566	48%	0.483	S	S	*	.			trans	-132.2	168.6	178.2	63.9	0	0	0	0	110.8
38	G	90	Very high	91.4	Very high	63 Å²	63	84.3 Å²	84.3	65%	0.649	46%	0.46	S	S	*	.	S	Bend	trans	110.5	38	176.8	0	0	0	0	0	115.5	V40 N61	G38-V40 VanDerWaalsContact C-N 3.32Å; G38-V40 PolarHBondContact O-N 3Å; G38-N61 PolarHBondContact N-OD1 2.9Å
39	K	92.6	Very high	92.1	Very high	167 Å²	167	79 Å²	79	73%	0.726	45%	0.448	S	S	*	.	S	Bend	trans	63.2	33.7	175.8	-52.8	177.4	-179.3	174.9	0	113.5	R41 N61	K39-R41 PolarHBondContact O-N 3.21Å; K39-N61 PolarHBondContact N-OD1 3.5Å
40	V	95.6	Very high	92.8	Very high	37 Å²	37	76.6 Å²	76.6	22%	0.224	43%	0.428	C	S	.	.			trans	-60.9	133.5	-179.6	178.7	0	0	0	0	110.6	I36 G38 S42 L43 N61 S62 L63	I36-V40 HydrophobicContact CG2-CG2 3.77Å; G38-V40 VanDerWaalsContact C-N 3.32Å; G38-V40 PolarHBondContact O-N 3Å; V40-S42 WeakPolarHBondContact CG1-O 3.31Å; V40-L43 HydrophobicContact CG1-CD2 4.08Å; V40-N61 HydrophobicContact CB-CB 4.39Å; V40-N61 WeakPolarHBondContact CB-OD1 3.32Å; V40-N61 WeakPolarHBondContact CG2-OD1 3.39Å; V40-N61 PolarHBondContact N-OD1 3.4Å; V40-S62 CarbonylContact O-C 3.22Å; V40-S62 WeakPolarHBondContact O-CA 3.26Å; V40-S62 PolarHBondContact O-N 3.09Å; V40-L63 HydrophobicContact CG1-CD2 4.25Å; V40-L63 PolarHBondContact O-N 3.22Å
41	R	95.5	Very high	93.4	Very high	202 Å²	202	72 Å²	72	76%	0.762	41%	0.41	S	S	*	.			trans	-102.7	-22.1	179.3	-63.5	-176.6	-176.9	-161	2.5	113.5	K39	K39-R41 PolarHBondContact O-N 3.21Å
42	S	92.6	Very high	93.7	Very high	97 Å²	97	69.7 Å²	69.7	68%	0.678	40%	0.404	S	S	*	.			trans	-147.7	141.3	-176.9	56.1	0	0	0	0	110.4	V40	V40-S42 WeakPolarHBondContact CG1-O 3.31Å
43	L	93.9	Very high	94	Very high	36 Å²	36	68.8 Å²	68.8	19%	0.188	40%	0.397	C	S	.	.			trans	-102.6	143.3	175.8	-60.6	168.7	0	0	0	109.5	I36 V40 L47 W48 L58 L63 I66	I36-L43 HydrophobicContact CD1-CD2 3.9Å; V40-L43 HydrophobicContact CG1-CD2 4.08Å; L43-L47 HydrophobicContact CB-CD2 4.07Å; L43-L47 HydrophobicContact CD1-CD2 3.93Å; L43-L47 HydrophobicContact CD2-CD2 4.13Å; L43-L47 HydrophobicContact CG-CD2 4.26Å; L43-W48 HydrophobicContact CB-CH2 4.39Å; L43-W48 HydrophobicContact CB-CZ2 3.93Å; L43-W48 HydrophobicContact CD1-CH2 3.58Å; L43-W48 HydrophobicContact CD1-CZ2 3.92Å; L43-L58 HydrophobicContact CD1-CD1 3.75Å; L43-L58 HydrophobicContact CD1-CD2 4.21Å; L43-L58 HydrophobicContact CD2-CD2 3.99Å; L43-L63 HydrophobicContact CD1-CD1 3.97Å; L43-L63 HydrophobicContact CD1-CD2 4.29Å; L43-L63 HydrophobicContact CD2-CD2 4.4Å; L43-L63 HydrophobicContact CG-CD1 4.44Å; L43-L63 HydrophobicContact CG-CD2 3.94Å; L43-I66 HydrophobicContact CD1-CD1 4.19Å
44	S	94.1	Very high	94.1	Very high	79 Å²	79	66.3 Å²	66.3	55%	0.552	39%	0.389	S	S	*	.			trans	-67.2	144.1	174.6	178.9	0	0	0	0	110.7	S46 L47	S44-S46 PolarHBondContact O-N 3.13Å; S44-S46 PolarHBondContact OG-N 3.01Å; S44-L47 VanDerWaalsContact O-CB 3.28Å; S44-L47 WeakPolarHBondContact O-CB 3.47Å; S44-L47 PolarHBondContact O-N 3.17Å; S44-L47 VanDerWaalsContact O-N 3.1Å
45	A	93.1	Very high	94.3	Very high	75 Å²	75	64.5 Å²	64.5	62%	0.62	38%	0.38	S	S	*	.	G	3₁₀ helix	trans	-60.8	-26.6	176.1	0	0	0	0	0	112.9	L47 W48	A45-L47 PolarHBondContact O-N 3.02Å; A45-W48 PolarHBondContact O-N 3.34Å
46	S	95.6	Very high	94.5	Very high	80 Å²	80	61.6 Å²	61.6	56%	0.559	37%	0.367	S	S	*	.	G	3₁₀ helix	trans	-65.8	-17.6	176.9	-51.1	0	0	0	0	113.7	S44 W48 S49	S44-S46 PolarHBondContact O-N 3.13Å; S44-S46 PolarHBondContact OG-N 3.01Å; S46-W48 PolarHBondContact O-N 3.48Å; S46-S49 PolarHBondContact O-N 3.34Å; S46-S49 PolarHBondContact O-OG 3.37Å
47	L	95.9	Very high	94.6	Very high	12 Å²	12	59.9 Å²	59.9	6%	0.063	36%	0.358	C	S	.	.	G	3₁₀ helix	trans	-60.2	-38.8	172.8	174.4	55.1	0	0	0	110.9	L34 I36 L43 S44 A45 S49 L50 L53 L56	L34-L47 HydrophobicContact CD2-CD1 3.42Å; L34-L47 VanDerWaalsContact CD2-CD1 3.42Å; I36-L47 HydrophobicContact CD1-CD2 4.1Å; L43-L47 HydrophobicContact CB-CD2 4.07Å; L43-L47 HydrophobicContact CD1-CD2 3.93Å; L43-L47 HydrophobicContact CD2-CD2 4.13Å; L43-L47 HydrophobicContact CG-CD2 4.26Å; S44-L47 VanDerWaalsContact O-CB 3.28Å; S44-L47 WeakPolarHBondContact O-CB 3.47Å; S44-L47 PolarHBondContact O-N 3.17Å; S44-L47 VanDerWaalsContact O-N 3.1Å; A45-L47 PolarHBondContact O-N 3.02Å; L47-S49 PolarHBondContact O-N 3.02Å; L47-L50 HydrophobicContact CD1-CD1 3.93Å; L47-L50 WeakPolarHBondContact O-CB 3.3Å; L47-L50 WeakPolarHBondContact O-CG 3.27Å; L47-L50 PolarHBondContact O-N 2.91Å; L47-L50 VanDerWaalsContact O-N 3.11Å; L47-L53 HydrophobicContact CD1-CD1 4.28Å; L47-L56 HydrophobicContact CD1-CD1 4.28Å
48	W	95.1	Very high	94.9	Very high	9 Å²	9	56 Å²	56	3%	0.034	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	-75.2	-10	-174	-41.7	124.4	0	0	0	113.6	L43 A45 S46 L56 P67 D69 I70 K72 L73	L43-W48 HydrophobicContact CB-CH2 4.39Å; L43-W48 HydrophobicContact CB-CZ2 3.93Å; L43-W48 HydrophobicContact CD1-CH2 3.58Å; L43-W48 HydrophobicContact CD1-CZ2 3.92Å; A45-W48 PolarHBondContact O-N 3.34Å; S46-W48 PolarHBondContact O-N 3.48Å; W48-L56 HydrophobicContact CZ3-CD2 4.41Å; W48-P67 HydrophobicContact CD2-CG 4.47Å; W48-P67 VanDerWaalsContact CE2-CG 3.47Å; W48-P67 HydrophobicContact CH2-CG 4.23Å; W48-P67 HydrophobicContact CZ2-CG 3.33Å; W48-D69 HydrophobicContact CB-CB 3.85Å; W48-D69 VanDerWaalsContact CD1-CB 3.45Å; W48-D69 HydrophobicContact CD2-CB 4.25Å; W48-D69 HydrophobicContact CG-CB 3.56Å; W48-I70 HydrophobicContact CE3-CB 4.18Å; W48-I70 HydrophobicContact CE3-CG1 4.31Å; W48-I70 HydrophobicContact CZ3-CB 3.94Å; W48-I70 HydrophobicContact CZ3-CD1 4.21Å; W48-I70 HydrophobicContact CZ3-CG1 3.83Å; W48-K72 HydrophobicContact CB-CD 4.43Å; W48-K72 WeakPolarHBondContact O-CB 3.5Å; W48-L73 HydrophobicContact CE3-CD1 4.03Å; W48-L73 HydrophobicContact CZ3-CD1 4.29Å
49	S	95	Very high	95.2	Very high	84 Å²	84	54.2 Å²	54.2	59%	0.587	31%	0.308	S	S	*	.	G	3₁₀ helix	trans	-86	-5.1	170.9	54.2	0	0	0	0	113.7	S46 L47 T51	S46-S49 PolarHBondContact O-N 3.34Å; S46-S49 PolarHBondContact O-OG 3.37Å; L47-S49 PolarHBondContact O-N 3.02Å; S49-T51 PolarHBondContact O-N 2.81Å
50	L	95.3	Very high	95.3	Very high	43 Å²	43	51.6 Å²	51.6	23%	0.225	30%	0.302	C	S	.	.			trans	-82.2	58.8	179.2	-57	174.9	0	0	0	111.3	W31 L34 L47 H52 L53 L73	W31-L50 HydrophobicContact CH2-CD1 3.75Å; W31-L50 HydrophobicContact CH2-CD2 4.07Å; W31-L50 HydrophobicContact CH2-CG 4.43Å; W31-L50 HydrophobicContact CZ2-CD2 4.48Å; W31-L50 HydrophobicContact CZ3-CD1 4.34Å; L34-L50 HydrophobicContact CD2-CD1 4.17Å; L47-L50 HydrophobicContact CD1-CD1 3.93Å; L47-L50 WeakPolarHBondContact O-CB 3.3Å; L47-L50 WeakPolarHBondContact O-CG 3.27Å; L47-L50 PolarHBondContact O-N 2.91Å; L47-L50 VanDerWaalsContact O-N 3.11Å; L50-H52 PolarHBondContact O-N 3.38Å; L50-L53 HydrophobicContact CB-CD1 3.76Å; L50-L53 HydrophobicContact CB-CG 3.96Å; L50-L53 HydrophobicContact CD1-CD1 4.18Å; L50-L53 WeakPolarHBondContact O-CB 3.2Å; L50-L53 WeakPolarHBondContact O-CG 3.48Å; L50-L53 PolarHBondContact O-N 3.21Å; L50-L53 VanDerWaalsContact O-N 3.07Å; L50-L73 WeakPolarHBondContact O-CD2 3.41Å
51	T	94.3	Very high	95.4	Very high	56 Å²	56	50.3 Å²	50.3	34%	0.344	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-11.6	-172.5	58	0	0	0	0	114.8	S49 L53 K72 N75	S49-T51 PolarHBondContact O-N 2.81Å; T51-L53 VanDerWaalsContact C-N 3.28Å; T51-K72 WeakPolarHBondContact CG2-O 3.35Å; T51-N75 PolarHBondContact O-ND2 3.29Å
52	H	93.6	Very high	95.5	Very high	71 Å²	71	41.9 Å²	41.9	33%	0.329	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-10.2	174.9	61.9	-87.3	0	0	0	113.4	W31 L50 T54	W31-H52 AromaticContact CD2-NE2 3.97Å; W31-H52 AromaticContact CE2-NE2 3.73Å; W31-H52 AromaticContact CH2-NE2 3.65Å; W31-H52 AromaticContact CZ2-NE2 3.56Å; W31-H52 AromaticContact CZ3-NE2 3.89Å; W31-H52 PolarHBondContact O-CD2 3.2Å; W31-H52 VanDerWaalsContact O-CD2 3.25Å; L50-H52 PolarHBondContact O-N 3.38Å; H52-T54 PolarHBondContact O-N 3.28Å
53	L	96.3	Very high	95.7	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	23%	0.234	C	C	.	.			trans	-65.5	132.4	179.3	-72.6	178.2	0	0	0	111.9	W31 A32 L34 L47 L50 T51 N75 L76	W31-L53 HydrophobicContact CE3-CD2 3.84Å; W31-L53 HydrophobicContact CZ3-CD2 3.59Å; W31-L53 HydrophobicContact CZ3-CG 4.45Å; A32-L53 CarbonylContact O-C 3.54Å; A32-L53 WeakPolarHBondContact O-CA 3.28Å; A32-L53 WeakPolarHBondContact O-CD2 3.28Å; L34-L53 HydrophobicContact CB-CD1 4.09Å; L34-L53 HydrophobicContact CB-CD2 3.95Å; L34-L53 HydrophobicContact CD2-CD1 4.25Å; L47-L53 HydrophobicContact CD1-CD1 4.28Å; L50-L53 HydrophobicContact CB-CD1 3.76Å; L50-L53 HydrophobicContact CB-CG 3.96Å; L50-L53 HydrophobicContact CD1-CD1 4.18Å; L50-L53 WeakPolarHBondContact O-CB 3.2Å; L50-L53 WeakPolarHBondContact O-CG 3.48Å; L50-L53 PolarHBondContact O-N 3.21Å; L50-L53 VanDerWaalsContact O-N 3.07Å; T51-L53 VanDerWaalsContact C-N 3.28Å; L53-N75 CarbonylContact O-C 3.39Å; L53-L76 HydrophobicContact CB-CD1 4.08Å; L53-L76 PolarHBondContact O-N 3.11Å
54	T	96.6	Very high	95.8	Very high	52 Å²	52	38.8 Å²	38.8	32%	0.319	25%	0.247	S	C	.	.	S	Bend	trans	-106.5	-24.3	172	60.2	0	0	0	0	112.2	A32 H52 V77 Y78	A32-T54 HydrophobicContact CB-CG2 4.19Å; A32-T54 VanDerWaalsContact CB-OG1 3.3Å; A32-T54 WeakPolarHBondContact CB-OG1 3.39Å; A32-T54 PolarHBondContact O-N 2.82Å; A32-T54 PolarHBondContact O-OG1 3.25Å; H52-T54 PolarHBondContact O-N 3.28Å; T54-V77 PolarHBondContact O-N 3.44Å; T54-Y78 PolarHBondContact O-N 3.32Å
55	A	96.6	Very high	95.9	Very high	6 Å²	6	44.3 Å²	44.3	5%	0.05	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	135.9	173.5	0	0	0	0	0	112.6	A32 E33 L34 Y78	A32-A55 PolarHBondContact O-N 2.63Å; A32-A55 VanDerWaalsContact O-N 3.14Å; E33-A55 WeakPolarHBondContact CA-O 3.48Å; E33-A55 HydrophobicContact CB-CB 4.09Å; E33-A55 HydrophobicContact CG-CB 3.76Å; L34-A55 PolarHBondContact N-O 3.07Å; A55-Y78 WeakPolarHBondContact CA-O 3.43Å; A55-Y78 HydrophobicContact CB-CD1 4.32Å; A55-Y78 HydrophobicContact CB-CG 4.46Å
56	L	97.5	Very high	96	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	114.2	177.7	-179	58.8	0	0	0	110	L34 L47 W48 L58 L73 L76 Y78 L79 D80	L34-L56 HydrophobicContact CB-CD1 4.1Å; L34-L56 HydrophobicContact CD2-CD1 4.22Å; L34-L56 HydrophobicContact CG-CD1 4.32Å; L34-L56 WeakPolarHBondContact O-CA 3.21Å; L47-L56 HydrophobicContact CD1-CD1 4.28Å; W48-L56 HydrophobicContact CZ3-CD2 4.41Å; L56-L58 HydrophobicContact CD1-CD1 4.41Å; L56-L58 HydrophobicContact CD1-CD2 4.12Å; L56-L58 HydrophobicContact CD1-CG 4.1Å; L56-L58 HydrophobicContact CD2-CD1 3.87Å; L56-L58 HydrophobicContact CD2-CG 4.4Å; L56-L58 HydrophobicContact CG-CD1 3.92Å; L56-L58 HydrophobicContact CG-CD2 4.46Å; L56-L58 HydrophobicContact CG-CG 3.9Å; L56-L73 HydrophobicContact CD2-CD1 3.85Å; L56-L76 HydrophobicContact CB-CD1 3.78Å; L56-L76 HydrophobicContact CB-CD2 4Å; L56-Y78 PolarHBondContact N-O 2.9Å; L56-L79 HydrophobicContact CB-CD1 4.13Å; L56-L79 HydrophobicContact CD2-CD1 4.14Å; L56-L79 HydrophobicContact CG-CD1 4.2Å; L56-D80 PolarHBondContact O-N 2.98Å
57	H	96.7	Very high	96	Very high	7 Å²	7	39.5 Å²	39.5	3%	0.032	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	112.6	-179.5	-54.2	-82.2	0	0	0	109.8	R13 L34 E35 I36 Y78	R13-H57 VanDerWaalsContact CZ-CE1 3.4Å; R13-H57 VanDerWaalsContact CZ-NE2 3.31Å; R13-H57 PolarHBondContact NH1-CD2 2.91Å; R13-H57 VanDerWaalsContact NH1-CD2 3.34Å; R13-H57 PolarHBondContact NH2-CE1 3.49Å; R13-H57 VanDerWaalsContact NH2-CG 3.34Å; R13-H57 PolarHBondContact NH2-ND1 3.1Å; R13-H57 PolarHBondContact NH2-NE2 2.84Å; L34-H57 PolarHBondContact O-N 3.29Å; E35-H57 WeakPolarHBondContact CA-O 3.15Å; E35-H57 HydrophobicContact CB-CB 3.98Å; E35-H57 HydrophobicContact CG-CB 3.88Å; I36-H57 PolarHBondContact N-O 3.34Å; H57-Y78 AromaticContact CE1-CD1 3.36Å; H57-Y78 WeakPolarHBondContact CE1-CD1 3.13Å; H57-Y78 AromaticContact CE1-CE1 3.09Å; H57-Y78 WeakPolarHBondContact CE1-CE1 3.43Å; H57-Y78 AromaticContact CE1-CZ 3.85Å; H57-Y78 AromaticContact ND1-CD1 3.78Å; H57-Y78 AromaticContact ND1-CE1 3.17Å; H57-Y78 WeakPolarHBondContact ND1-CE1 3.49Å
58	L	96.6	Very high	96	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	23%	0.232	C	C	.	.			trans	-126.8	17.3	-178.5	-63.4	173.6	0	0	0	111.3	I36 L43 L56 N61 L63 D80 L81 N84	I36-L58 HydrophobicContact CB-CD2 3.76Å; I36-L58 HydrophobicContact CD1-CD2 3.91Å; I36-L58 HydrophobicContact CG1-CD2 4.05Å; L43-L58 HydrophobicContact CD1-CD1 3.75Å; L43-L58 HydrophobicContact CD1-CD2 4.21Å; L43-L58 HydrophobicContact CD2-CD2 3.99Å; L56-L58 HydrophobicContact CD1-CD1 4.41Å; L56-L58 HydrophobicContact CD1-CD2 4.12Å; L56-L58 HydrophobicContact CD1-CG 4.1Å; L56-L58 HydrophobicContact CD2-CD1 3.87Å; L56-L58 HydrophobicContact CD2-CG 4.4Å; L56-L58 HydrophobicContact CG-CD1 3.92Å; L56-L58 HydrophobicContact CG-CD2 4.46Å; L56-L58 HydrophobicContact CG-CG 3.9Å; L58-N61 PolarHBondContact O-ND2 2.91Å; L58-L63 HydrophobicContact CB-CD1 4.19Å; L58-L63 HydrophobicContact CD1-CD1 4.35Å; L58-D80 CarbonylContact C-O 3.57Å; L58-D80 WeakPolarHBondContact CA-O 3.19Å; L58-D80 WeakPolarHBondContact CB-O 3.4Å; L58-D80 PolarHBondContact N-O 2.91Å; L58-L81 HydrophobicContact CB-CD2 3.95Å; L58-L81 HydrophobicContact CD1-CD2 3.67Å; L58-L81 HydrophobicContact CG-CD2 4.43Å; L58-N84 PolarHBondContact O-ND2 3.38Å
59	S	96.1	Very high	96	Very high	26 Å²	26	43.9 Å²	43.9	18%	0.182	24%	0.244	C	C	.	.			trans	-64.4	156.8	179.6	32	0	0	0	0	112.9	N61 D80 S82	S59-N61 VanDerWaalsContact C-N 3.32Å; S59-N61 PolarHBondContact O-N 3.39Å; S59-N61 PolarHBondContact O-ND2 3.43Å; S59-N61 VanDerWaalsContact O-ND2 3.13Å; S59-D80 WeakPolarHBondContact CB-OD2 3.32Å; S59-D80 PolarHBondContact N-O 2.96Å; S59-D80 PolarHBondContact OG-OD2 3.44Å; S59-S82 VanDerWaalsContact CA-O 3.23Å; S59-S82 WeakPolarHBondContact CA-O 3.43Å
60	D	96.2	Very high	96	Very high	112 Å²	112	39.9 Å²	39.9	60%	0.599	22%	0.216	S	C	*	.	S	Bend	trans	56.8	41.1	176.3	-61.9	-47.5	0	0	0	114.3	S82 S83	D60-S82 PolarHBondContact N-O 3.28Å; D60-S82 VanDerWaalsContact N-O 3.15Å; D60-S83 WeakPolarHBondContact OD1-CB 3.41Å; D60-S83 PolarHBondContact OD1-OG 3.32Å; D60-S83 VanDerWaalsContact OD1-OG 3.13Å
61	N	96.9	Very high	95.9	Very high	9 Å²	9	38.9 Å²	38.9	5%	0.048	22%	0.215	C	C	.	.	S	Bend	trans	-110.8	-165.5	174.2	-77.2	-64.9	0	0	0	111.9	I36 G38 K39 V40 L58 S59 L63 N84	I36-N61 PolarHBondContact O-ND2 2.94Å; G38-N61 PolarHBondContact N-OD1 2.9Å; K39-N61 PolarHBondContact N-OD1 3.5Å; V40-N61 HydrophobicContact CB-CB 4.39Å; V40-N61 WeakPolarHBondContact CB-OD1 3.32Å; V40-N61 WeakPolarHBondContact CG2-OD1 3.39Å; V40-N61 PolarHBondContact N-OD1 3.4Å; L58-N61 PolarHBondContact O-ND2 2.91Å; S59-N61 VanDerWaalsContact C-N 3.32Å; S59-N61 PolarHBondContact O-N 3.39Å; S59-N61 PolarHBondContact O-ND2 3.43Å; S59-N61 VanDerWaalsContact O-ND2 3.13Å; N61-L63 HydrophobicContact CB-CG 4.13Å; N61-N84 WeakPolarHBondContact CA-OD1 3.33Å; N61-N84 WeakPolarHBondContact CB-OD1 3.09Å
62	S	97.4	Very high	95.9	Very high	25 Å²	25	41.6 Å²	41.6	18%	0.175	22%	0.222	C	C	.	.			trans	-124.6	32.6	177.8	-74.1	0	0	0	0	111.3	V40 S64 N84	V40-S62 CarbonylContact O-C 3.22Å; V40-S62 WeakPolarHBondContact O-CA 3.26Å; V40-S62 PolarHBondContact O-N 3.09Å; S62-S64 PolarHBondContact O-N 3.32Å; S62-N84 PolarHBondContact N-OD1 3.17Å
63	L	97.6	Very high	96	Very high	2 Å²	2	38.2 Å²	38.2	1%	0.01	21%	0.206	C	C	.	.			trans	-68	123.7	178.9	-57.4	174.9	0	0	0	109.3	V40 L43 L58 N61 I66 L81 N84 K85 I86	V40-L63 HydrophobicContact CG1-CD2 4.25Å; V40-L63 PolarHBondContact O-N 3.22Å; L43-L63 HydrophobicContact CD1-CD1 3.97Å; L43-L63 HydrophobicContact CD1-CD2 4.29Å; L43-L63 HydrophobicContact CD2-CD2 4.4Å; L43-L63 HydrophobicContact CG-CD1 4.44Å; L43-L63 HydrophobicContact CG-CD2 3.94Å; L58-L63 HydrophobicContact CB-CD1 4.19Å; L58-L63 HydrophobicContact CD1-CD1 4.35Å; N61-L63 HydrophobicContact CB-CG 4.13Å; L63-I66 HydrophobicContact CD1-CD1 3.91Å; L63-L81 HydrophobicContact CD1-CD2 4.48Å; L63-N84 HydrophobicContact CB-CB 4.35Å; L63-N84 VanDerWaalsContact CB-OD1 3.3Å; L63-N84 WeakPolarHBondContact CB-OD1 3.49Å; L63-N84 WeakPolarHBondContact CG-OD1 3.16Å; L63-N84 PolarHBondContact N-OD1 2.92Å; L63-K85 CarbonylContact O-C 3.23Å; L63-K85 VanDerWaalsContact O-C 3.23Å; L63-K85 VanDerWaalsContact O-CA 3.32Å; L63-K85 WeakPolarHBondContact O-CA 3.24Å; L63-K85 PolarHBondContact O-N 2.87Å; L63-I86 PolarHBondContact O-N 2.95Å
64	S	96.3	Very high	95.7	Very high	67 Å²	67	42.8 Å²	42.8	47%	0.469	23%	0.227	S	C	.	.	S	Bend	trans	-91.5	-17.1	175.9	61.6	0	0	0	0	113.2	S62	S62-S64 PolarHBondContact O-N 3.32Å
65	R	95.2	Very high	95.6	Very high	194 Å²	194	43.5 Å²	43.5	73%	0.732	23%	0.229	S	C	*	.			trans	-156.6	158.7	-178.6	65.6	-179.7	-176.7	-179.4	2.1	110.5
66	I	95.6	Very high	95.6	Very high	10 Å²	10	43.2 Å²	43.2	5%	0.051	23%	0.227	C	C	.	.			trans	-118.4	130	166.8	-65.9	-62	0	0	0	107.7	L43 L63 I70 L81 I86 P90	L43-I66 HydrophobicContact CD1-CD1 4.19Å; L63-I66 HydrophobicContact CD1-CD1 3.91Å; I66-I70 HydrophobicContact CG2-CB 3.82Å; I66-I70 HydrophobicContact CG2-CD1 3.57Å; I66-I70 HydrophobicContact CG2-CG1 4.28Å; I66-I70 HydrophobicContact CG2-CG2 3.76Å; I66-L81 HydrophobicContact CD1-CD2 3.52Å; I66-L81 HydrophobicContact CG1-CD1 4.04Å; I66-L81 HydrophobicContact CG1-CD2 3.76Å; I66-I86 HydrophobicContact CG1-CD1 3.95Å; I66-P90 HydrophobicContact CG2-CG 4.46Å
67	P	95.4	Very high	95.6	Very high	45 Å²	45	45.7 Å²	45.7	29%	0.292	24%	0.242	S	C	.	.			trans	-71.3	157.1	178.5	31.3	-34.9	0	0	0	111.3	W48 D69 I70	W48-P67 HydrophobicContact CD2-CG 4.47Å; W48-P67 VanDerWaalsContact CE2-CG 3.47Å; W48-P67 HydrophobicContact CH2-CG 4.23Å; W48-P67 HydrophobicContact CZ2-CG 3.33Å; P67-D69 PolarHBondContact O-N 3.45Å; P67-I70 WeakPolarHBondContact O-CG2 3.21Å; P67-I70 PolarHBondContact O-N 3.36Å
68	S	94.9	Very high	95.7	Very high	55 Å²	55	47.8 Å²	47.8	39%	0.385	25%	0.25	S	C	.	.	G	3₁₀ helix	trans	-60.7	-24.1	175.4	51.7	0	0	0	0	113.2	I70 A71 E92	S68-I70 PolarHBondContact O-N 3.1Å; S68-A71 WeakPolarHBondContact O-CB 3.39Å; S68-A71 PolarHBondContact O-N 3.2Å; S68-E92 WeakPolarHBondContact CB-OE2 3.2Å
69	D	96.1	Very high	95.8	Very high	57 Å²	57	47.8 Å²	47.8	31%	0.305	25%	0.25	S	C	.	.	G	3₁₀ helix	trans	-56	-18.5	174.8	-67.4	-72	0	0	0	114.3	W48 P67 A71 K72	W48-D69 HydrophobicContact CB-CB 3.85Å; W48-D69 VanDerWaalsContact CD1-CB 3.45Å; W48-D69 HydrophobicContact CD2-CB 4.25Å; W48-D69 HydrophobicContact CG-CB 3.56Å; P67-D69 PolarHBondContact O-N 3.45Å; D69-A71 PolarHBondContact O-N 3.32Å; 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 3.41Å; D69-K72 WeakPolarHBondContact O-CG 3.37Å; D69-K72 PolarHBondContact O-N 3.44Å; D69-K72 WeakPolarHBondContact OD1-CE 3.42Å; D69-K72 IonicContact OD1-NZ 2.77Å; D69-K72 PolarHBondContact OD1-NZ 2.85Å
70	I	95.6	Very high	95.9	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-54.6	-30.6	173	-166	165.6	0	0	0	112.3	W48 I66 P67 S68 K72 L73 L79 P90 L93 M96	W48-I70 HydrophobicContact CE3-CB 4.18Å; W48-I70 HydrophobicContact CE3-CG1 4.31Å; W48-I70 HydrophobicContact CZ3-CB 3.94Å; W48-I70 HydrophobicContact CZ3-CD1 4.21Å; W48-I70 HydrophobicContact CZ3-CG1 3.83Å; I66-I70 HydrophobicContact CG2-CB 3.82Å; I66-I70 HydrophobicContact CG2-CD1 3.57Å; I66-I70 HydrophobicContact CG2-CG1 4.28Å; I66-I70 HydrophobicContact CG2-CG2 3.76Å; P67-I70 WeakPolarHBondContact O-CG2 3.21Å; P67-I70 PolarHBondContact O-N 3.36Å; S68-I70 PolarHBondContact O-N 3.1Å; I70-K72 PolarHBondContact O-N 3.49Å; I70-K72 VanDerWaalsContact O-N 3.11Å; I70-L73 HydrophobicContact CG1-CD1 4.49Å; I70-L73 WeakPolarHBondContact O-CB 3.49Å; I70-L73 PolarHBondContact O-N 3.36Å; I70-L79 HydrophobicContact CD1-CD1 4.13Å; I70-L79 HydrophobicContact CD1-CD2 3.59Å; I70-P90 HydrophobicContact CG2-CG 4.19Å; I70-L93 HydrophobicContact CG2-CD1 4.33Å; I70-M96 HydrophobicContact CG1-CE 4.38Å; I70-M96 HydrophobicContact CG1-SD 4.08Å; I70-M96 HydrophobicContact CG2-SD 4.23Å
71	A	93.4	Very high	96	Very high	23 Å²	23	42.1 Å²	42.1	19%	0.19	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-63.5	-16.2	178.4	0	0	0	0	0	113.9	S68 D69 L73 E92 M96	S68-A71 WeakPolarHBondContact O-CB 3.39Å; S68-A71 PolarHBondContact O-N 3.2Å; D69-A71 PolarHBondContact O-N 3.32Å; D69-A71 VanDerWaalsContact O-N 3.12Å; A71-L73 PolarHBondContact O-N 3.16Å; A71-E92 HydrophobicContact CB-CB 3.76Å; A71-E92 VanDerWaalsContact CB-O 3.25Å; A71-E92 WeakPolarHBondContact CB-O 3.4Å; A71-M96 HydrophobicContact CB-CG 4.36Å
72	K	94.3	Very high	96.1	Very high	113 Å²	113	42.3 Å²	42.3	49%	0.491	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-66.8	-24.1	173.4	-67.3	172.6	173.3	166.6	0	112.2	W48 T51 D69 I70 H74	W48-K72 HydrophobicContact CB-CD 4.43Å; W48-K72 WeakPolarHBondContact O-CB 3.5Å; T51-K72 WeakPolarHBondContact CG2-O 3.35Å; D69-K72 HydrophobicContact CB-CD 4.37Å; D69-K72 VanDerWaalsContact O-CB 3.27Å; D69-K72 WeakPolarHBondContact O-CB 3.41Å; D69-K72 WeakPolarHBondContact O-CG 3.37Å; D69-K72 PolarHBondContact O-N 3.44Å; D69-K72 WeakPolarHBondContact OD1-CE 3.42Å; D69-K72 IonicContact OD1-NZ 2.77Å; D69-K72 PolarHBondContact OD1-NZ 2.85Å; I70-K72 PolarHBondContact O-N 3.49Å; I70-K72 VanDerWaalsContact O-N 3.11Å; K72-H74 PolarHBondContact O-N 2.89Å; K72-H74 PolarHBondContact O-ND1 3Å
73	L	95.4	Very high	96.1	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.224	C	C	.	.			trans	-78	57	176.4	-53.1	-177.3	0	0	0	111	W48 L50 L56 I70 A71 N75 L76 M96	W48-L73 HydrophobicContact CE3-CD1 4.03Å; W48-L73 HydrophobicContact CZ3-CD1 4.29Å; L50-L73 WeakPolarHBondContact O-CD2 3.41Å; L56-L73 HydrophobicContact CD2-CD1 3.85Å; I70-L73 HydrophobicContact CG1-CD1 4.49Å; I70-L73 WeakPolarHBondContact O-CB 3.49Å; I70-L73 PolarHBondContact O-N 3.36Å; A71-L73 PolarHBondContact O-N 3.16Å; L73-N75 PolarHBondContact O-N 2.99Å; L73-N75 VanDerWaalsContact O-N 3.13Å; L73-L76 HydrophobicContact CB-CB 4.3Å; L73-L76 WeakPolarHBondContact O-CB 3.38Å; L73-L76 PolarHBondContact O-N 3.03Å; L73-M96 HydrophobicContact CB-CE 4.29Å; L73-M96 WeakPolarHBondContact O-CE 3.45Å
74	H	90	Very high	96.1	Very high	96 Å²	96	43.2 Å²	43.2	44%	0.444	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-17.4	-173	57.4	-85.2	0	0	0	114.8	K72 S98	K72-H74 PolarHBondContact O-N 2.89Å; K72-H74 PolarHBondContact O-ND1 3Å; H74-S98 WeakPolarHBondContact O-CB 3.2Å; H74-S98 PolarHBondContact O-OG 3.33Å
75	N	94.2	Very high	96.2	Very high	67 Å²	67	45.5 Å²	45.5	36%	0.358	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-0.2	176.3	-62.9	-44.4	0	0	0	113.4	T51 L53 L73 V77	T51-N75 PolarHBondContact O-ND2 3.29Å; L53-N75 CarbonylContact O-C 3.39Å; L73-N75 PolarHBondContact O-N 2.99Å; L73-N75 VanDerWaalsContact O-N 3.13Å; N75-V77 PolarHBondContact O-N 3.1Å
76	L	97.2	Very high	96.3	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.192	C	C	.	.			trans	-68.8	125	-177.9	-154.4	74.9	0	0	0	110.4	L53 L56 L73 Y78 L79 M96 S98 L99	L53-L76 HydrophobicContact CB-CD1 4.08Å; L53-L76 PolarHBondContact O-N 3.11Å; L56-L76 HydrophobicContact CB-CD1 3.78Å; L56-L76 HydrophobicContact CB-CD2 4Å; L73-L76 HydrophobicContact CB-CB 4.3Å; L73-L76 WeakPolarHBondContact O-CB 3.38Å; L73-L76 PolarHBondContact O-N 3.03Å; L76-Y78 WeakPolarHBondContact CG-O 3.36Å; L76-L79 HydrophobicContact CD2-CB 3.77Å; L76-L79 HydrophobicContact CD2-CD1 4.04Å; L76-L79 HydrophobicContact CD2-CD2 4.29Å; L76-L79 HydrophobicContact CD2-CG 4.24Å; L76-M96 HydrophobicContact CB-CE 3.68Å; L76-M96 HydrophobicContact CD2-CE 3.63Å; L76-M96 HydrophobicContact CG-CE 4.3Å; L76-S98 CarbonylContact O-C 3.56Å; L76-L99 HydrophobicContact CB-CD2 4.25Å; L76-L99 HydrophobicContact CD2-CD2 4.21Å; L76-L99 HydrophobicContact CG-CD2 4.24Å; L76-L99 WeakPolarHBondContact O-CD2 3.25Å; L76-L99 PolarHBondContact O-N 2.88Å
77	V	97.7	Very high	96.4	Very high	52 Å²	52	43.8 Å²	43.8	32%	0.315	22%	0.22	S	C	.	.			trans	-102.5	-34.3	177.3	178.6	0	0	0	0	110.3	T54 N75 R100 E101	T54-V77 PolarHBondContact O-N 3.44Å; N75-V77 PolarHBondContact O-N 3.1Å; V77-R100 HydrophobicContact CG1-CB 3.86Å; V77-R100 HydrophobicContact CG1-CG 3.84Å; V77-R100 PolarHBondContact O-N 3.15Å; V77-E101 PolarHBondContact O-N 3.47Å
78	Y	98.1	Very high	96.4	Very high	51 Å²	51	44.9 Å²	44.9	20%	0.2	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	126.1	-177.7	-176.8	-78	0	0	0	111.3	T54 A55 L56 H57 L76 D80 E101 H103	T54-Y78 PolarHBondContact O-N 3.32Å; A55-Y78 WeakPolarHBondContact CA-O 3.43Å; A55-Y78 HydrophobicContact CB-CD1 4.32Å; A55-Y78 HydrophobicContact CB-CG 4.46Å; L56-Y78 PolarHBondContact N-O 2.9Å; H57-Y78 AromaticContact CE1-CD1 3.36Å; H57-Y78 WeakPolarHBondContact CE1-CD1 3.13Å; H57-Y78 AromaticContact CE1-CE1 3.09Å; H57-Y78 WeakPolarHBondContact CE1-CE1 3.43Å; H57-Y78 AromaticContact CE1-CZ 3.85Å; H57-Y78 AromaticContact ND1-CD1 3.78Å; H57-Y78 AromaticContact ND1-CE1 3.17Å; H57-Y78 WeakPolarHBondContact ND1-CE1 3.49Å; L76-Y78 WeakPolarHBondContact CG-O 3.36Å; Y78-D80 HydrophobicContact CE1-CB 3.52Å; Y78-E101 HydrophobicContact CD2-CB 3.59Å; Y78-E101 HydrophobicContact CD2-CG 4.21Å; Y78-E101 WeakPolarHBondContact CD2-OE2 3.5Å; Y78-E101 HydrophobicContact CE2-CB 4.04Å; Y78-E101 VanDerWaalsContact CE2-OE2 3.3Å; Y78-E101 WeakPolarHBondContact CE2-OE2 3.11Å; Y78-E101 HydrophobicContact CG-CB 4.39Å; Y78-H103 AromaticContact CE2-CD2 3.64Å; Y78-H103 AromaticContact CE2-NE2 3.46Å; Y78-H103 WeakPolarHBondContact CE2-NE2 3.15Å; Y78-H103 AromaticContact CZ-CD2 3.54Å; Y78-H103 AromaticContact CZ-NE2 3.77Å; Y78-H103 PolarHBondContact OH-CD2 2.86Å; Y78-H103 VanDerWaalsContact OH-CD2 3.32Å
79	L	98.4	Very high	96.5	Very high	0 Å²	0	43 Å²	43	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	115.2	174.6	178.7	55.3	0	0	0	110.7	L56 I70 L76 L81 L93 L99 E101 L102 H103	L56-L79 HydrophobicContact CB-CD1 4.13Å; L56-L79 HydrophobicContact CD2-CD1 4.14Å; L56-L79 HydrophobicContact CG-CD1 4.2Å; I70-L79 HydrophobicContact CD1-CD1 4.13Å; I70-L79 HydrophobicContact CD1-CD2 3.59Å; L76-L79 HydrophobicContact CD2-CB 3.77Å; L76-L79 HydrophobicContact CD2-CD1 4.04Å; L76-L79 HydrophobicContact CD2-CD2 4.29Å; L76-L79 HydrophobicContact CD2-CG 4.24Å; L79-L81 HydrophobicContact CD1-CD1 4.24Å; L79-L81 HydrophobicContact CD1-CD2 4.41Å; L79-L81 HydrophobicContact CD1-CG 3.95Å; L79-L81 HydrophobicContact CD2-CD1 3.91Å; L79-L81 HydrophobicContact CD2-CG 4.49Å; L79-L81 HydrophobicContact CG-CD1 4Å; L79-L81 HydrophobicContact CG-CG 4.05Å; L79-L93 HydrophobicContact CD2-CD1 4Å; L79-L99 HydrophobicContact CB-CD2 3.9Å; L79-E101 PolarHBondContact N-O 3.48Å; L79-L102 HydrophobicContact CB-CD1 4.07Å; L79-L102 HydrophobicContact CD2-CD1 3.83Å; L79-L102 HydrophobicContact CG-CD1 3.94Å; L79-L102 WeakPolarHBondContact O-CA 3.28Å; L79-H103 PolarHBondContact O-N 2.97Å
80	D	98.3	Very high	96.5	Very high	18 Å²	18	41.1 Å²	41.1	10%	0.096	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	115	172.7	-176.4	16.5	0	0	0	111.8	L56 L58 S59 Y78 S82 H103	L56-D80 PolarHBondContact O-N 2.98Å; L58-D80 CarbonylContact C-O 3.57Å; L58-D80 WeakPolarHBondContact CA-O 3.19Å; L58-D80 WeakPolarHBondContact CB-O 3.4Å; L58-D80 PolarHBondContact N-O 2.91Å; S59-D80 WeakPolarHBondContact CB-OD2 3.32Å; S59-D80 PolarHBondContact N-O 2.96Å; S59-D80 PolarHBondContact OG-OD2 3.44Å; Y78-D80 HydrophobicContact CE1-CB 3.52Å; D80-S82 WeakPolarHBondContact OD1-CB 3.37Å; D80-S82 PolarHBondContact OD1-N 2.89Å; D80-S82 PolarHBondContact OD1-OG 3.11Å; D80-H103 HydrophobicContact CB-CB 4.17Å; D80-H103 VanDerWaalsContact OD1-CB 3.28Å; D80-H103 WeakPolarHBondContact OD1-CB 3.41Å
81	L	98.1	Very high	96.3	Very high	1 Å²	1	42 Å²	42	1%	0.005	21%	0.212	C	C	.	.			trans	-117.8	15	177.8	-71.4	168.5	0	0	0	111.2	L58 L63 I66 L79 N84 I86 H103 L104 N107	L58-L81 HydrophobicContact CB-CD2 3.95Å; L58-L81 HydrophobicContact CD1-CD2 3.67Å; L58-L81 HydrophobicContact CG-CD2 4.43Å; L63-L81 HydrophobicContact CD1-CD2 4.48Å; I66-L81 HydrophobicContact CD1-CD2 3.52Å; I66-L81 HydrophobicContact CG1-CD1 4.04Å; I66-L81 HydrophobicContact CG1-CD2 3.76Å; L79-L81 HydrophobicContact CD1-CD1 4.24Å; L79-L81 HydrophobicContact CD1-CD2 4.41Å; L79-L81 HydrophobicContact CD1-CG 3.95Å; L79-L81 HydrophobicContact CD2-CD1 3.91Å; L79-L81 HydrophobicContact CD2-CG 4.49Å; L79-L81 HydrophobicContact CG-CD1 4Å; L79-L81 HydrophobicContact CG-CG 4.05Å; L81-N84 PolarHBondContact O-ND2 3.37Å; L81-N84 VanDerWaalsContact O-ND2 3.09Å; L81-I86 HydrophobicContact CB-CD1 3.95Å; L81-I86 HydrophobicContact CD1-CD1 4.35Å; L81-I86 HydrophobicContact CD2-CD1 4.1Å; L81-I86 HydrophobicContact CG-CD1 4.38Å; L81-H103 CarbonylContact C-O 3.54Å; L81-H103 WeakPolarHBondContact CA-O 3.41Å; L81-H103 PolarHBondContact N-O 3.17Å; L81-L104 HydrophobicContact CB-CD2 3.92Å; L81-L104 HydrophobicContact CD1-CD2 3.9Å; L81-N107 PolarHBondContact O-ND2 2.84Å
82	S	98.4	Very high	96.4	Very high	12 Å²	12	43.9 Å²	43.9	8%	0.084	22%	0.217	C	C	.	.			trans	-61.9	156.5	-176.6	-55.7	0	0	0	0	112.5	S59 D60 D80 N84 H103 N105	S59-S82 VanDerWaalsContact CA-O 3.23Å; S59-S82 WeakPolarHBondContact CA-O 3.43Å; D60-S82 PolarHBondContact N-O 3.28Å; D60-S82 VanDerWaalsContact N-O 3.15Å; D80-S82 WeakPolarHBondContact OD1-CB 3.37Å; D80-S82 PolarHBondContact OD1-N 2.89Å; D80-S82 PolarHBondContact OD1-OG 3.11Å; S82-N84 VanDerWaalsContact C-N 3.32Å; S82-N84 PolarHBondContact O-N 2.88Å; S82-N84 PolarHBondContact O-ND2 3.18Å; S82-N84 VanDerWaalsContact O-ND2 3.1Å; S82-H103 PolarHBondContact N-O 3.17Å; S82-H103 WeakPolarHBondContact OG-CB 3.41Å; S82-N105 CarbonylContact C-O 3.57Å; S82-N105 WeakPolarHBondContact CA-O 3.5Å; S82-N105 PolarHBondContact OG-N 2.84Å
83	S	97.9	Very high	96.4	Very high	38 Å²	38	38.6 Å²	38.6	27%	0.266	19%	0.194	S	C	.	.	S	Bend	trans	55	45.7	175.6	-56	0	0	0	0	113.2	D60 N105 N106	D60-S83 WeakPolarHBondContact OD1-CB 3.41Å; D60-S83 PolarHBondContact OD1-OG 3.32Å; D60-S83 VanDerWaalsContact OD1-OG 3.13Å; S83-N105 PolarHBondContact N-O 2.98Å; S83-N106 WeakPolarHBondContact CA-O 3.38Å
84	N	98.4	Very high	96.2	Very high	9 Å²	9	38.6 Å²	38.6	5%	0.048	19%	0.194	C	C	.	.	S	Bend	trans	-116.4	-164.8	174	-85.5	-78.3	0	0	0	110.2	L58 N61 S62 L63 L81 S82 I86 N107	L58-N84 PolarHBondContact O-ND2 3.38Å; N61-N84 WeakPolarHBondContact CA-OD1 3.33Å; N61-N84 WeakPolarHBondContact CB-OD1 3.09Å; S62-N84 PolarHBondContact N-OD1 3.17Å; L63-N84 HydrophobicContact CB-CB 4.35Å; L63-N84 VanDerWaalsContact CB-OD1 3.3Å; L63-N84 WeakPolarHBondContact CB-OD1 3.49Å; L63-N84 WeakPolarHBondContact CG-OD1 3.16Å; L63-N84 PolarHBondContact N-OD1 2.92Å; L81-N84 PolarHBondContact O-ND2 3.37Å; L81-N84 VanDerWaalsContact O-ND2 3.09Å; S82-N84 VanDerWaalsContact C-N 3.32Å; S82-N84 PolarHBondContact O-N 2.88Å; S82-N84 PolarHBondContact O-ND2 3.18Å; S82-N84 VanDerWaalsContact O-ND2 3.1Å; N84-I86 HydrophobicContact CB-CD1 4.09Å; N84-I86 HydrophobicContact CB-CG1 4Å; N84-N107 VanDerWaalsContact CA-OD1 3.32Å; N84-N107 WeakPolarHBondContact CA-OD1 3.22Å; N84-N107 WeakPolarHBondContact CB-OD1 3.1Å; N84-N107 PolarHBondContact N-OD1 2.72Å; N84-N107 PolarHBondContact O-OD1 3.34Å
85	K	97.9	Very high	96.3	Very high	115 Å²	115	36.3 Å²	36.3	50%	0.5	19%	0.185	S	C	.	.			trans	-118.4	28.3	178.8	-59	-178	-177.5	178.1	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 3.32Å; L63-K85 WeakPolarHBondContact O-CA 3.24Å; L63-K85 PolarHBondContact O-N 2.87Å; K85-R87 PolarHBondContact O-N 3.4Å; K85-N107 PolarHBondContact N-OD1 2.77Å; K85-L108 HydrophobicContact CB-CD1 4.38Å
86	I	98.2	Very high	96.2	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.168	C	C	.	.			trans	-70.8	126.6	-173.3	-58.9	167.6	0	0	0	109.2	L63 I66 L81 N84 S88 L89 N107 L108 L109	L63-I86 PolarHBondContact O-N 2.95Å; I66-I86 HydrophobicContact CG1-CD1 3.95Å; L81-I86 HydrophobicContact CB-CD1 3.95Å; L81-I86 HydrophobicContact CD1-CD1 4.35Å; L81-I86 HydrophobicContact CD2-CD1 4.1Å; L81-I86 HydrophobicContact CG-CD1 4.38Å; N84-I86 HydrophobicContact CB-CD1 4.09Å; N84-I86 HydrophobicContact CB-CG1 4Å; I86-S88 WeakPolarHBondContact CG2-O 3.47Å; I86-L89 HydrophobicContact CG2-CD2 4.19Å; I86-N107 HydrophobicContact CB-CB 4.38Å; I86-N107 VanDerWaalsContact CB-OD1 3.31Å; I86-N107 WeakPolarHBondContact CB-OD1 3.41Å; I86-N107 WeakPolarHBondContact CG1-OD1 3.11Å; I86-N107 PolarHBondContact N-OD1 2.86Å; I86-L108 CarbonylContact O-C 3.45Å; I86-L108 VanDerWaalsContact O-CA 3.29Å; I86-L108 WeakPolarHBondContact O-CA 3.35Å; I86-L108 PolarHBondContact O-N 2.95Å; I86-L109 HydrophobicContact CG2-CD2 3.91Å; I86-L109 PolarHBondContact O-N 2.76Å
87	R	97.2	Very high	96	Very high	167 Å²	167	34.5 Å²	34.5	63%	0.63	18%	0.176	S	C	*	.			trans	-99.3	-23.8	-179.2	-66.6	178.1	179.8	-118.9	0.8	113.8	K85 L108	K85-R87 PolarHBondContact O-N 3.4Å; R87-L108 HydrophobicContact CG-CB 3.95Å; R87-L108 HydrophobicContact CG-CD1 4.37Å
88	S	95.5	Very high	95.8	Very high	68 Å²	68	33.6 Å²	33.6	48%	0.476	17%	0.172	S	C	.	.			trans	-154	153.7	-179.3	58	0	0	0	0	110	I86	I86-S88 WeakPolarHBondContact CG2-O 3.47Å
89	L	97.2	Very high	95.7	Very high	15 Å²	15	31.1 Å²	31.1	8%	0.079	16%	0.163	C	C	.	.			trans	-102.1	146.7	172.8	-59.8	170.8	0	0	0	110	I86 L93 L104 L109 L112 P113	I86-L89 HydrophobicContact CG2-CD2 4.19Å; L89-L93 HydrophobicContact CB-CD2 4.23Å; L89-L93 HydrophobicContact CD1-CD2 3.97Å; L89-L93 HydrophobicContact CD2-CD2 4.22Å; L89-L93 HydrophobicContact CG-CD2 4.36Å; L89-L104 HydrophobicContact CD1-CD1 3.62Å; L89-L104 HydrophobicContact CD1-CD2 4.32Å; L89-L104 HydrophobicContact CD2-CD2 3.71Å; L89-L109 HydrophobicContact CD1-CD1 4.29Å; L89-L109 HydrophobicContact CD2-CD2 4.31Å; L89-L109 HydrophobicContact CG-CD1 4.43Å; L89-L109 HydrophobicContact CG-CD2 3.95Å; L89-L112 HydrophobicContact CD1-CD2 4.17Å; L89-P113 HydrophobicContact CB-CG 3.97Å
90	P	95.2	Very high	95.7	Very high	19 Å²	19	36.1 Å²	36.1	12%	0.123	18%	0.182	C	C	.	.			trans	-66.3	144.9	169.3	28.9	-32.6	0	0	0	110.3	I66 I70 E92 L93	I66-P90 HydrophobicContact CG2-CG 4.46Å; I70-P90 HydrophobicContact CG2-CG 4.19Å; P90-E92 WeakPolarHBondContact CB-OE2 3.31Å; P90-E92 PolarHBondContact O-N 2.94Å; P90-L93 HydrophobicContact CG-CB 4.42Å; P90-L93 VanDerWaalsContact O-CB 3.29Å; P90-L93 WeakPolarHBondContact O-CB 3.4Å; P90-L93 PolarHBondContact O-N 3.48Å
91	A	92.4	Very high	95.6	Very high	17 Å²	17	38.6 Å²	38.6	14%	0.14	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-60.8	-34.6	176.2	0	0	0	0	0	111.6	L93 G94 E115	A91-L93 PolarHBondContact O-N 3.03Å; A91-L93 VanDerWaalsContact O-N 3.09Å; A91-G94 PolarHBondContact O-N 3.25Å; A91-E115 HydrophobicContact CB-CB 4.4Å; A91-E115 VanDerWaalsContact CB-CD 3.46Å; A91-E115 HydrophobicContact CB-CG 3.9Å; A91-E115 WeakPolarHBondContact O-CB 3.38Å
92	E	93.6	Very high	95.7	Very high	63 Å²	63	38.6 Å²	38.6	29%	0.294	19%	0.192	S	C	.	.	G	3₁₀ helix	trans	-63.3	-16.8	-178.6	-61.2	79.5	-178.9	0	0	112.9	S68 A71 P90 G94 N95	S68-E92 WeakPolarHBondContact CB-OE2 3.2Å; A71-E92 HydrophobicContact CB-CB 3.76Å; A71-E92 VanDerWaalsContact CB-O 3.25Å; A71-E92 WeakPolarHBondContact CB-O 3.4Å; P90-E92 WeakPolarHBondContact CB-OE2 3.31Å; P90-E92 PolarHBondContact O-N 2.94Å; E92-G94 PolarHBondContact O-N 2.75Å; E92-N95 WeakPolarHBondContact O-CB 3.43Å; E92-N95 PolarHBondContact O-N 3.31Å
93	L	94.9	Very high	95.7	Very high	2 Å²	2	39.6 Å²	39.6	1%	0.01	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-56.1	-31.3	170.3	-172.8	63.9	0	0	0	111.6	I70 L79 L89 P90 A91 N95 M96 L99 L102 L116	I70-L93 HydrophobicContact CG2-CD1 4.33Å; L79-L93 HydrophobicContact CD2-CD1 4Å; L89-L93 HydrophobicContact CB-CD2 4.23Å; L89-L93 HydrophobicContact CD1-CD2 3.97Å; L89-L93 HydrophobicContact CD2-CD2 4.22Å; L89-L93 HydrophobicContact CG-CD2 4.36Å; P90-L93 HydrophobicContact CG-CB 4.42Å; P90-L93 VanDerWaalsContact O-CB 3.29Å; P90-L93 WeakPolarHBondContact O-CB 3.4Å; P90-L93 PolarHBondContact O-N 3.48Å; A91-L93 PolarHBondContact O-N 3.03Å; A91-L93 VanDerWaalsContact O-N 3.09Å; L93-N95 PolarHBondContact O-N 3.28Å; L93-M96 HydrophobicContact CD1-SD 3.62Å; L93-M96 WeakPolarHBondContact O-CB 3.44Å; L93-M96 PolarHBondContact O-N 3.37Å; L93-L99 HydrophobicContact CD1-CD1 4.28Å; L93-L102 HydrophobicContact CD2-CD2 4.07Å; L93-L116 HydrophobicContact CD2-CD1 3.9Å; L93-L116 HydrophobicContact CG-CD1 4.24Å
94	G	92.5	Very high	95.7	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-63.9	-18	174.9	0	0	0	0	0	114.9	A91 E92 M96 E115 K118	A91-G94 PolarHBondContact O-N 3.25Å; E92-G94 PolarHBondContact O-N 2.75Å; G94-M96 VanDerWaalsContact C-N 3.28Å; G94-E115 WeakPolarHBondContact CA-O 3.49Å; G94-K118 VanDerWaalsContact O-CB 3.23Å; G94-K118 WeakPolarHBondContact O-CB 3.27Å
95	N	90.5	Very high	95.7	Very high	48 Å²	48	39.1 Å²	39.1	26%	0.257	19%	0.19	S	C	.	.	G	3₁₀ helix	trans	-81.6	-8.7	178	-65	-15	0	0	0	112.6	E92 L93 V97 N518	E92-N95 WeakPolarHBondContact O-CB 3.43Å; E92-N95 PolarHBondContact O-N 3.31Å; L93-N95 PolarHBondContact O-N 3.28Å; N95-V97 PolarHBondContact O-N 3Å; N95-N518 PolarHBondContact ND2-OD1 2.85Å
96	M	93.5	Very high	95.7	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.189	C	C	.	.			trans	-83.4	57	-179.7	-60.7	179	62.3	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 4.08Å; I70-M96 HydrophobicContact CG2-SD 4.23Å; A71-M96 HydrophobicContact CB-CG 4.36Å; L73-M96 HydrophobicContact CB-CE 4.29Å; L73-M96 WeakPolarHBondContact O-CE 3.45Å; L76-M96 HydrophobicContact CB-CE 3.68Å; L76-M96 HydrophobicContact CD2-CE 3.63Å; L76-M96 HydrophobicContact CG-CE 4.3Å; L93-M96 HydrophobicContact CD1-SD 3.62Å; L93-M96 WeakPolarHBondContact O-CB 3.44Å; L93-M96 PolarHBondContact O-N 3.37Å; G94-M96 VanDerWaalsContact C-N 3.28Å; M96-S98 PolarHBondContact O-N 2.85Å; M96-L99 HydrophobicContact CB-CD1 3.65Å; M96-L99 HydrophobicContact CB-CG 3.94Å; M96-L99 HydrophobicContact CE-CD1 4.07Å; M96-L99 HydrophobicContact CE-CD2 4.42Å; M96-L99 HydrophobicContact CE-CG 4.27Å; M96-L99 WeakPolarHBondContact O-CB 3.34Å; M96-L99 WeakPolarHBondContact O-CG 3.45Å; M96-L99 PolarHBondContact O-N 2.84Å; M96-L99 HydrophobicContact SD-CD1 4.31Å; M96-L119 HydrophobicContact CB-CD2 4.44Å; M96-L119 VanDerWaalsContact O-CD2 3.23Å; M96-L119 WeakPolarHBondContact O-CD2 3.34Å
97	V	91.9	Very high	95.7	Very high	29 Å²	29	38.1 Å²	38.1	18%	0.176	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-17.6	-170.4	-65	0	0	0	0	115.1	N95 L99 F120 Q121 F484	N95-V97 PolarHBondContact O-N 3Å; V97-L99 VanDerWaalsContact C-N 3.29Å; V97-L99 PolarHBondContact O-N 2.81Å; V97-F120 HydrophobicContact CB-CE1 4.09Å; V97-F120 HydrophobicContact CG1-CE1 4.22Å; V97-Q121 PolarHBondContact O-OE1 2.88Å; V97-F484 HydrophobicContact CB-CE2 4.3Å; V97-F484 HydrophobicContact CG2-CE2 3.7Å; V97-F484 HydrophobicContact CG2-CZ 4.28Å
98	S	93.1	Very high	95.7	Very high	33 Å²	33	33.7 Å²	33.7	23%	0.231	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-13.8	174.3	-49.3	0	0	0	0	114.1	H74 L76 M96 R100	H74-S98 WeakPolarHBondContact O-CB 3.2Å; H74-S98 PolarHBondContact O-OG 3.33Å; L76-S98 CarbonylContact O-C 3.56Å; M96-S98 PolarHBondContact O-N 2.85Å; S98-R100 PolarHBondContact O-N 3.22Å
99	L	96.7	Very high	95.9	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.156	C	C	.	.			trans	-63.1	129.5	-178.3	-80.5	173.9	0	0	0	111.2	L76 L79 L93 M96 V97 L119 Q121 L122	L76-L99 HydrophobicContact CB-CD2 4.25Å; L76-L99 HydrophobicContact CD2-CD2 4.21Å; L76-L99 HydrophobicContact CG-CD2 4.24Å; L76-L99 WeakPolarHBondContact O-CD2 3.25Å; L76-L99 PolarHBondContact O-N 2.88Å; L79-L99 HydrophobicContact CB-CD2 3.9Å; L93-L99 HydrophobicContact CD1-CD1 4.28Å; M96-L99 HydrophobicContact CB-CD1 3.65Å; M96-L99 HydrophobicContact CB-CG 3.94Å; M96-L99 HydrophobicContact CE-CD1 4.07Å; M96-L99 HydrophobicContact CE-CD2 4.42Å; M96-L99 HydrophobicContact CE-CG 4.27Å; M96-L99 WeakPolarHBondContact O-CB 3.34Å; M96-L99 WeakPolarHBondContact O-CG 3.45Å; M96-L99 PolarHBondContact O-N 2.84Å; M96-L99 HydrophobicContact SD-CD1 4.31Å; V97-L99 VanDerWaalsContact C-N 3.29Å; V97-L99 PolarHBondContact O-N 2.81Å; L99-L119 HydrophobicContact CD1-CD1 4.13Å; L99-Q121 CarbonylContact O-C 3.42Å; L99-L122 HydrophobicContact CB-CD1 4.11Å; L99-L122 WeakPolarHBondContact O-CA 3.26Å; L99-L122 PolarHBondContact O-N 3.09Å
100	R	97.3	Very high	95.8	Very high	105 Å²	105	37.8 Å²	37.8	40%	0.396	18%	0.183	S	C	.	.			trans	-111.2	-30.4	174.3	-64.2	-177.2	-177.3	-130.6	-3.2	112.1	V77 S98 Q123 T124	V77-R100 HydrophobicContact CG1-CB 3.86Å; V77-R100 HydrophobicContact CG1-CG 3.84Å; V77-R100 PolarHBondContact O-N 3.15Å; S98-R100 PolarHBondContact O-N 3.22Å; R100-Q123 PolarHBondContact O-N 3.07Å; R100-T124 PolarHBondContact O-N 3Å
101	E	98.1	Very high	95.8	Very high	70 Å²	70	41.4 Å²	41.4	33%	0.327	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	120	-179.2	-60.8	-173.3	-139.3	0	0	110.5	V77 Y78 L79 H103	V77-E101 PolarHBondContact O-N 3.47Å; Y78-E101 HydrophobicContact CD2-CB 3.59Å; Y78-E101 HydrophobicContact CD2-CG 4.21Å; Y78-E101 WeakPolarHBondContact CD2-OE2 3.5Å; Y78-E101 HydrophobicContact CE2-CB 4.04Å; Y78-E101 VanDerWaalsContact CE2-OE2 3.3Å; Y78-E101 WeakPolarHBondContact CE2-OE2 3.11Å; Y78-E101 HydrophobicContact CG-CB 4.39Å; L79-E101 PolarHBondContact N-O 3.48Å; E101-H103 IonicContact OE2-NE2 3.64Å
102	L	98.4	Very high	95.9	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	107.3	177.9	175.9	57.8	0	0	0	109.2	L79 L93 L104 L116 L119 L122 T124 L125 G126	L79-L102 HydrophobicContact CB-CD1 4.07Å; L79-L102 HydrophobicContact CD2-CD1 3.83Å; L79-L102 HydrophobicContact CG-CD1 3.94Å; L79-L102 WeakPolarHBondContact O-CA 3.28Å; L93-L102 HydrophobicContact CD2-CD2 4.07Å; L102-L104 HydrophobicContact CD1-CD1 4.31Å; L102-L104 HydrophobicContact CD1-CD2 4.34Å; L102-L104 HydrophobicContact CD1-CG 4.09Å; L102-L104 HydrophobicContact CD2-CD1 3.94Å; L102-L104 HydrophobicContact CG-CD1 3.89Å; L102-L104 HydrophobicContact CG-CG 4.05Å; L102-L116 HydrophobicContact CD2-CD1 3.81Å; L102-L119 HydrophobicContact CD2-CD1 4.25Å; L102-L122 HydrophobicContact CB-CD1 3.71Å; L102-L122 HydrophobicContact CB-CD2 4.17Å; L102-T124 PolarHBondContact N-O 3Å; L102-L125 HydrophobicContact CB-CD1 4.24Å; L102-L125 HydrophobicContact CD2-CD1 3.98Å; L102-L125 HydrophobicContact CG-CD1 4.06Å; L102-L125 CarbonylContact O-C 3.19Å; L102-L125 WeakPolarHBondContact O-CA 3.47Å; L102-G126 PolarHBondContact O-N 3.23Å
103	H	98.4	Very high	96	Very high	33 Å²	33	39.2 Å²	39.2	15%	0.153	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	122.3	179.3	-58.6	-85.3	0	0	0	110.7	Y78 L79 D80 L81 S82 E101	Y78-H103 AromaticContact CE2-CD2 3.64Å; Y78-H103 AromaticContact CE2-NE2 3.46Å; Y78-H103 WeakPolarHBondContact CE2-NE2 3.15Å; Y78-H103 AromaticContact CZ-CD2 3.54Å; Y78-H103 AromaticContact CZ-NE2 3.77Å; Y78-H103 PolarHBondContact OH-CD2 2.86Å; Y78-H103 VanDerWaalsContact OH-CD2 3.32Å; L79-H103 PolarHBondContact O-N 2.97Å; D80-H103 HydrophobicContact CB-CB 4.17Å; D80-H103 VanDerWaalsContact OD1-CB 3.28Å; D80-H103 WeakPolarHBondContact OD1-CB 3.41Å; L81-H103 CarbonylContact C-O 3.54Å; L81-H103 WeakPolarHBondContact CA-O 3.41Å; L81-H103 PolarHBondContact N-O 3.17Å; S82-H103 PolarHBondContact N-O 3.17Å; S82-H103 WeakPolarHBondContact OG-CB 3.41Å; E101-H103 IonicContact OE2-NE2 3.64Å
104	L	98.3	Very high	95.9	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	20%	0.202	C	C	.	.			trans	-129.9	16.9	-176.7	-66.5	163.3	0	0	0	111.4	L81 L89 L102 N107 L109 L125 G126 L127 N130	L81-L104 HydrophobicContact CB-CD2 3.92Å; L81-L104 HydrophobicContact CD1-CD2 3.9Å; L89-L104 HydrophobicContact CD1-CD1 3.62Å; L89-L104 HydrophobicContact CD1-CD2 4.32Å; L89-L104 HydrophobicContact CD2-CD2 3.71Å; L102-L104 HydrophobicContact CD1-CD1 4.31Å; L102-L104 HydrophobicContact CD1-CD2 4.34Å; L102-L104 HydrophobicContact CD1-CG 4.09Å; L102-L104 HydrophobicContact CD2-CD1 3.94Å; L102-L104 HydrophobicContact CG-CD1 3.89Å; L102-L104 HydrophobicContact CG-CG 4.05Å; L104-N107 PolarHBondContact O-ND2 2.92Å; L104-N107 VanDerWaalsContact O-ND2 3.08Å; L104-L109 HydrophobicContact CB-CD1 4.04Å; L104-L109 HydrophobicContact CD1-CD1 4.17Å; L104-L109 HydrophobicContact CD2-CD1 4.37Å; L104-L109 HydrophobicContact CG-CD1 4.45Å; L104-L125 HydrophobicContact CD1-CD1 4.13Å; L104-G126 CarbonylContact C-O 3.44Å; L104-G126 WeakPolarHBondContact CA-O 3.26Å; L104-G126 VanDerWaalsContact CB-O 3.25Å; L104-G126 WeakPolarHBondContact CB-O 3.49Å; L104-G126 PolarHBondContact N-O 3.08Å; L104-L127 HydrophobicContact CB-CD2 4.23Å; L104-L127 HydrophobicContact CD1-CD2 3.97Å; L104-N130 PolarHBondContact O-ND2 2.86Å
105	N	98.1	Very high	95.9	Very high	37 Å²	37	43 Å²	43	20%	0.198	21%	0.21	C	C	.	.			trans	-60.3	151.7	-173.4	-58.3	-69.3	0	0	0	111.2	S82 S83 N107 G126 L127 K128	S82-N105 CarbonylContact C-O 3.57Å; S82-N105 WeakPolarHBondContact CA-O 3.5Å; S82-N105 PolarHBondContact OG-N 2.84Å; S83-N105 PolarHBondContact N-O 2.98Å; N105-N107 PolarHBondContact O-N 2.96Å; N105-N107 PolarHBondContact O-ND2 3.03Å; N105-G126 PolarHBondContact N-O 3.09Å; N105-G126 VanDerWaalsContact N-O 3.16Å; N105-G126 VanDerWaalsContact OD1-C 3.24Å; N105-G126 WeakPolarHBondContact OD1-CA 2.9Å; N105-L127 PolarHBondContact OD1-N 3.2Å; N105-K128 CarbonylContact C-O 3.49Å; N105-K128 WeakPolarHBondContact CA-O 3.45Å; N105-K128 WeakPolarHBondContact OD1-CB 3.33Å; N105-K128 PolarHBondContact OD1-N 2.71Å
106	N	98.3	Very high	96.1	Very high	90 Å²	90	40.8 Å²	40.8	48%	0.481	20%	0.198	S	C	.	.	S	Bend	trans	52.5	50	174.7	-53.1	-40	0	0	0	113	S83 K128	S83-N106 WeakPolarHBondContact CA-O 3.38Å; N106-K128 PolarHBondContact N-O 2.87Å
107	N	98.6	Very high	96.1	Very high	4 Å²	4	40.8 Å²	40.8	2%	0.021	20%	0.199	C	C	.	.	S	Bend	trans	-114.5	-167.6	170.9	-85.9	-76.4	0	0	0	109.9	L81 N84 K85 I86 L104 N105 L109 N130	L81-N107 PolarHBondContact O-ND2 2.84Å; N84-N107 VanDerWaalsContact CA-OD1 3.32Å; N84-N107 WeakPolarHBondContact CA-OD1 3.22Å; N84-N107 WeakPolarHBondContact CB-OD1 3.1Å; N84-N107 PolarHBondContact N-OD1 2.72Å; N84-N107 PolarHBondContact O-OD1 3.34Å; K85-N107 PolarHBondContact N-OD1 2.77Å; I86-N107 HydrophobicContact CB-CB 4.38Å; I86-N107 VanDerWaalsContact CB-OD1 3.31Å; I86-N107 WeakPolarHBondContact CB-OD1 3.41Å; I86-N107 WeakPolarHBondContact CG1-OD1 3.11Å; I86-N107 PolarHBondContact N-OD1 2.86Å; L104-N107 PolarHBondContact O-ND2 2.92Å; L104-N107 VanDerWaalsContact O-ND2 3.08Å; N105-N107 PolarHBondContact O-N 2.96Å; N105-N107 PolarHBondContact O-ND2 3.03Å; N107-L109 HydrophobicContact CB-CG 4.27Å; N107-N130 VanDerWaalsContact CA-OD1 3.25Å; N107-N130 WeakPolarHBondContact CA-OD1 3.44Å; N107-N130 WeakPolarHBondContact CB-OD1 3.39Å; N107-N130 PolarHBondContact N-OD1 3.26Å; N107-N130 PolarHBondContact O-OD1 2.96Å
108	L	98.1	Very high	96.2	Very high	75 Å²	75	42 Å²	42	39%	0.393	20%	0.202	S	C	.	.			trans	-114	28.1	-179.3	-59.8	174.2	0	0	0	111.7	K85 I86 R87 R110 N130	K85-L108 HydrophobicContact CB-CD1 4.38Å; I86-L108 CarbonylContact O-C 3.45Å; I86-L108 VanDerWaalsContact O-CA 3.29Å; I86-L108 WeakPolarHBondContact O-CA 3.35Å; I86-L108 PolarHBondContact O-N 2.95Å; R87-L108 HydrophobicContact CG-CB 3.95Å; R87-L108 HydrophobicContact CG-CD1 4.37Å; L108-R110 PolarHBondContact O-N 3.12Å; L108-N130 PolarHBondContact N-OD1 3.24Å
109	L	97.9	Very high	96.2	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	19%	0.191	C	C	.	.			trans	-67.7	122.2	-179.1	-60.2	172.6	0	0	0	110.4	I86 L89 L104 N107 L112 N130 P131 L132	I86-L109 HydrophobicContact CG2-CD2 3.91Å; I86-L109 PolarHBondContact O-N 2.76Å; L89-L109 HydrophobicContact CD1-CD1 4.29Å; L89-L109 HydrophobicContact CD2-CD2 4.31Å; L89-L109 HydrophobicContact CG-CD1 4.43Å; L89-L109 HydrophobicContact CG-CD2 3.95Å; L104-L109 HydrophobicContact CB-CD1 4.04Å; L104-L109 HydrophobicContact CD1-CD1 4.17Å; L104-L109 HydrophobicContact CD2-CD1 4.37Å; L104-L109 HydrophobicContact CG-CD1 4.45Å; N107-L109 HydrophobicContact CB-CG 4.27Å; L109-L112 HydrophobicContact CD1-CD2 4.23Å; L109-N130 HydrophobicContact CB-CB 4.1Å; L109-N130 VanDerWaalsContact CB-OD1 3.29Å; L109-N130 WeakPolarHBondContact CB-OD1 3.48Å; L109-N130 WeakPolarHBondContact CG-OD1 3.22Å; L109-N130 PolarHBondContact N-OD1 2.95Å; L109-P131 CarbonylContact O-C 3.22Å; L109-P131 VanDerWaalsContact O-C 3.26Å; L109-P131 VanDerWaalsContact O-CD 3.22Å; L109-P131 WeakPolarHBondContact O-CD 3.42Å; L109-P131 WeakPolarHBondContact O-CG 3.33Å; L109-L132 HydrophobicContact CB-CD2 4.14Å; L109-L132 PolarHBondContact O-N 3.26Å
110	R	96.1	Very high	96	Very high	169 Å²	169	43 Å²	43	64%	0.638	20%	0.202	S	C	*	.	S	Bend	trans	-99.8	-27.2	173.5	-66.8	-177.7	179.3	-175.7	-2.9	113.2	L108 P131	L108-R110 PolarHBondContact O-N 3.12Å; R110-P131 WeakPolarHBondContact CA-O 3.36Å; R110-P131 HydrophobicContact CG-CG 3.97Å
111	V	94.2	Very high	95.8	Very high	95 Å²	95	40.1 Å²	40.1	58%	0.576	19%	0.193	S	C	*	.			trans	-139.6	154.7	180	-63.5	0	0	0	0	109.2
112	L	95.9	Very high	95.7	Very high	12 Å²	12	37 Å²	37	6%	0.063	18%	0.178	C	C	.	.			trans	-109.4	140.9	170.6	-60.1	175.3	0	0	0	108.7	L89 L109 L116 L127 L132 I136 L149 L153	L89-L112 HydrophobicContact CD1-CD2 4.17Å; L109-L112 HydrophobicContact CD1-CD2 4.23Å; L112-L116 HydrophobicContact CD1-CD2 4.37Å; L112-L127 HydrophobicContact CD1-CD1 3.83Å; 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 4.1Å; L112-L149 HydrophobicContact CD1-CD2 3.88Å; L112-L153 HydrophobicContact CB-CD1 4.35Å; L112-L153 HydrophobicContact CD1-CD1 4.43Å
113	P	94.3	Very high	95.4	Very high	21 Å²	21	42.5 Å²	42.5	14%	0.136	20%	0.204	C	C	.	.			trans	-64.6	139.6	170.4	27.9	-32.6	0	0	0	109.8	L89 E115 L116	L89-P113 HydrophobicContact CB-CG 3.97Å; P113-E115 WeakPolarHBondContact CB-OE2 3.34Å; P113-E115 PolarHBondContact O-N 3.03Å; P113-L116 HydrophobicContact CG-CB 4.5Å; P113-L116 VanDerWaalsContact O-CB 3.27Å; P113-L116 WeakPolarHBondContact O-CB 3.49Å; P113-L116 PolarHBondContact O-N 2.72Å; P113-L116 VanDerWaalsContact O-N 3.13Å
114	F	93.2	Very high	95.3	Very high	47 Å²	47	43.7 Å²	43.7	21%	0.206	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-64.3	-26	178.2	-74.6	-87.7	0	0	0	111.8	L116 G117 Y152 L153 N156 L157 T160	F114-L116 PolarHBondContact O-N 3.22Å; F114-L116 VanDerWaalsContact O-N 3.1Å; F114-G117 PolarHBondContact O-N 3.31Å; F114-Y152 HydrophobicContact CE1-CE1 4.27Å; F114-L153 HydrophobicContact CD1-CB 4.4Å; F114-L153 HydrophobicContact CD1-CD2 3.81Å; F114-L153 WeakPolarHBondContact CD1-O 3.45Å; F114-L153 HydrophobicContact CE1-CD2 4.09Å; F114-L153 HydrophobicContact CG-CD2 4.35Å; F114-N156 HydrophobicContact CD1-CB 3.69Å; F114-N156 HydrophobicContact CE1-CB 3.44Å; F114-N156 VanDerWaalsContact CE1-CB 3.44Å; F114-N156 HydrophobicContact CZ-CB 4.42Å; F114-L157 HydrophobicContact CB-CB 4.34Å; F114-L157 HydrophobicContact CB-CD1 3.71Å; F114-T160 HydrophobicContact CD2-CG2 4.12Å; F114-T160 WeakPolarHBondContact CD2-OG1 3.38Å; F114-T160 HydrophobicContact CE2-CG2 3.61Å; F114-T160 WeakPolarHBondContact CE2-OG1 3.42Å; F114-T160 HydrophobicContact CZ-CG2 4.24Å
115	E	93	Very high	95.3	Very high	36 Å²	36	43.8 Å²	43.8	17%	0.168	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-58.8	-23.1	175.4	-67.2	82.2	172	0	0	112.6	A91 G94 P113 G117 K118 L157	A91-E115 HydrophobicContact CB-CB 4.4Å; A91-E115 VanDerWaalsContact CB-CD 3.46Å; A91-E115 HydrophobicContact CB-CG 3.9Å; A91-E115 WeakPolarHBondContact O-CB 3.38Å; G94-E115 WeakPolarHBondContact CA-O 3.49Å; P113-E115 WeakPolarHBondContact CB-OE2 3.34Å; P113-E115 PolarHBondContact O-N 3.03Å; E115-G117 PolarHBondContact O-N 3.21Å; E115-G117 VanDerWaalsContact O-N 3.14Å; E115-K118 VanDerWaalsContact O-CB 3.26Å; E115-K118 WeakPolarHBondContact O-CB 3.47Å; E115-K118 WeakPolarHBondContact O-CG 3.32Å; E115-K118 PolarHBondContact O-N 3.45Å; E115-L157 HydrophobicContact CB-CD1 4.46Å; E115-L157 HydrophobicContact CG-CD1 3.86Å
116	L	95	Very high	95.2	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-58	-28	174.1	-160.8	71.9	0	0	0	111.8	L93 L102 L112 P113 F114 K118 L119 L125 L150 L153	L93-L116 HydrophobicContact CD2-CD1 3.9Å; L93-L116 HydrophobicContact CG-CD1 4.24Å; L102-L116 HydrophobicContact CD2-CD1 3.81Å; L112-L116 HydrophobicContact CD1-CD2 4.37Å; P113-L116 HydrophobicContact CG-CB 4.5Å; P113-L116 VanDerWaalsContact O-CB 3.27Å; P113-L116 WeakPolarHBondContact O-CB 3.49Å; P113-L116 PolarHBondContact O-N 2.72Å; P113-L116 VanDerWaalsContact O-N 3.13Å; F114-L116 PolarHBondContact O-N 3.22Å; F114-L116 VanDerWaalsContact O-N 3.1Å; L116-K118 PolarHBondContact O-N 2.9Å; L116-K118 VanDerWaalsContact O-N 3.16Å; L116-L119 HydrophobicContact CD1-CD1 3.52Å; L116-L119 HydrophobicContact CD1-CG 4.38Å; L116-L119 HydrophobicContact CG-CD1 4.22Å; L116-L119 WeakPolarHBondContact O-CB 3.45Å; L116-L119 WeakPolarHBondContact O-CG 3.21Å; L116-L119 PolarHBondContact O-N 3.45Å; L116-L125 HydrophobicContact CD2-CD2 4.32Å; L116-L150 HydrophobicContact CG-CD2 4.21Å; L116-L150 VanDerWaalsContact O-CD2 3.23Å; L116-L150 WeakPolarHBondContact O-CD2 3.4Å; L116-L153 HydrophobicContact CB-CD1 4.03Å; L116-L153 HydrophobicContact CD2-CD1 4.35Å
117	G	94	Very high	95.2	Very high	1 Å²	1	38 Å²	38	1%	0.01	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-60.8	-18.9	174.3	0	0	0	0	0	114.6	F114 E115 L119 L150	F114-G117 PolarHBondContact O-N 3.31Å; E115-G117 PolarHBondContact O-N 3.21Å; E115-G117 VanDerWaalsContact O-N 3.14Å; G117-L119 PolarHBondContact O-N 3.34Å; G117-L150 WeakPolarHBondContact CA-O 3.31Å
118	K	92.6	Very high	95.1	Very high	54 Å²	54	45.5 Å²	45.5	24%	0.235	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-70	-13	172.8	-63.8	-177	-177.8	-173.8	0	113.2	G94 E115 L116 F120 L154 L157	G94-K118 VanDerWaalsContact O-CB 3.23Å; G94-K118 WeakPolarHBondContact O-CB 3.27Å; E115-K118 VanDerWaalsContact O-CB 3.26Å; E115-K118 WeakPolarHBondContact O-CB 3.47Å; E115-K118 WeakPolarHBondContact O-CG 3.32Å; E115-K118 PolarHBondContact O-N 3.45Å; L116-K118 PolarHBondContact O-N 2.9Å; L116-K118 VanDerWaalsContact O-N 3.16Å; K118-F120 VanDerWaalsContact O-CD1 3.28Å; K118-F120 WeakPolarHBondContact O-CD1 3.44Å; K118-F120 PolarHBondContact O-N 3.27Å; K118-L154 HydrophobicContact CG-CD1 4.17Å; K118-L157 HydrophobicContact CG-CD2 4.24Å
119	L	94.8	Very high	95	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.223	C	C	.	.			trans	-79	59.2	178.3	-57.9	-174.8	0	0	0	111.6	M96 L99 L102 L116 G117 Q121 L122	M96-L119 HydrophobicContact CB-CD2 4.44Å; M96-L119 VanDerWaalsContact O-CD2 3.23Å; M96-L119 WeakPolarHBondContact O-CD2 3.34Å; L99-L119 HydrophobicContact CD1-CD1 4.13Å; L102-L119 HydrophobicContact CD2-CD1 4.25Å; L116-L119 HydrophobicContact CD1-CD1 3.52Å; L116-L119 HydrophobicContact CD1-CG 4.38Å; L116-L119 HydrophobicContact CG-CD1 4.22Å; L116-L119 WeakPolarHBondContact O-CB 3.45Å; L116-L119 WeakPolarHBondContact O-CG 3.21Å; L116-L119 PolarHBondContact O-N 3.45Å; G117-L119 PolarHBondContact O-N 3.34Å; L119-Q121 PolarHBondContact O-N 2.89Å; L119-Q121 VanDerWaalsContact O-N 3.16Å; L119-L122 HydrophobicContact CB-CB 4.02Å; L119-L122 HydrophobicContact CD1-CD2 4.41Å; L119-L122 WeakPolarHBondContact O-CB 3.39Å; L119-L122 PolarHBondContact O-N 3.34Å
120	F	91.4	Very high	95	Very high	54 Å²	54	45 Å²	45	24%	0.237	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-16.2	-173.6	68.8	-84.6	0	0	0	114.2	V97 K118 G208 Y209 F484	V97-F120 HydrophobicContact CB-CE1 4.09Å; V97-F120 HydrophobicContact CG1-CE1 4.22Å; K118-F120 VanDerWaalsContact O-CD1 3.28Å; K118-F120 WeakPolarHBondContact O-CD1 3.44Å; K118-F120 PolarHBondContact O-N 3.27Å; F120-G208 WeakPolarHBondContact CB-O 3.33Å; F120-Y209 HydrophobicContact CD1-CD1 4.36Å; F120-Y209 HydrophobicContact CD1-CG 4.49Å; F120-Y209 HydrophobicContact CD2-CD1 4.32Å; F120-Y209 HydrophobicContact CE1-CD1 4.05Å; F120-Y209 HydrophobicContact CE1-CG 4.36Å; F120-Y209 AromaticContact CE2-CD1 3.96Å; F120-Y209 HydrophobicContact CE2-CD1 3.96Å; F120-Y209 AromaticContact CZ-CD1 3.85Å; F120-Y209 HydrophobicContact CZ-CD1 3.85Å; F120-F484 HydrophobicContact CE1-CD2 4.15Å; F120-F484 HydrophobicContact CE1-CE2 4.31Å; F120-F484 HydrophobicContact CE1-CG 4.45Å; F120-F484 HydrophobicContact CE2-CD1 4.16Å; F120-F484 HydrophobicContact CE2-CG 4.25Å; F120-F484 HydrophobicContact CZ-CB 4.13Å; F120-F484 AromaticContact CZ-CD1 3.72Å; F120-F484 HydrophobicContact CZ-CD1 3.72Å; F120-F484 AromaticContact CZ-CD2 3.6Å; F120-F484 HydrophobicContact CZ-CD2 3.6Å; F120-F484 HydrophobicContact CZ-CE1 4Å; F120-F484 AromaticContact CZ-CE2 3.85Å; F120-F484 HydrophobicContact CZ-CE2 3.85Å; F120-F484 AromaticContact CZ-CG 3.52Å; F120-F484 HydrophobicContact CZ-CG 3.52Å; F120-F484 HydrophobicContact CZ-CZ 4.04Å
121	Q	92.9	Very high	95	Very high	45 Å²	45	40.1 Å²	40.1	21%	0.21	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-5.1	173.5	-57.6	-161.1	-45.3	0	0	113.6	V97 L99 L119 Q123	V97-Q121 PolarHBondContact O-OE1 2.88Å; L99-Q121 CarbonylContact O-C 3.42Å; L119-Q121 PolarHBondContact O-N 2.89Å; L119-Q121 VanDerWaalsContact O-N 3.16Å; Q121-Q123 WeakPolarHBondContact O-CG 3.37Å; Q121-Q123 PolarHBondContact O-N 2.84Å
122	L	95.6	Very high	95.1	Very high	4 Å²	4	36.2 Å²	36.2	2%	0.021	19%	0.193	C	C	.	.			trans	-69.2	122.3	-175.8	-165.8	75.2	0	0	0	111	L99 L102 L119 L125 L150	L99-L122 HydrophobicContact CB-CD1 4.11Å; L99-L122 WeakPolarHBondContact O-CA 3.26Å; L99-L122 PolarHBondContact O-N 3.09Å; L102-L122 HydrophobicContact CB-CD1 3.71Å; L102-L122 HydrophobicContact CB-CD2 4.17Å; L119-L122 HydrophobicContact CB-CB 4.02Å; L119-L122 HydrophobicContact CD1-CD2 4.41Å; L119-L122 WeakPolarHBondContact O-CB 3.39Å; L119-L122 PolarHBondContact O-N 3.34Å; L122-L125 HydrophobicContact CD2-CB 3.83Å; L122-L125 HydrophobicContact CD2-CD1 4.13Å; L122-L125 HydrophobicContact CD2-CD2 4.33Å; L122-L125 HydrophobicContact CD2-CG 4.3Å; L122-L150 HydrophobicContact CB-CD1 3.86Å; L122-L150 HydrophobicContact CD2-CD1 4.12Å; L122-L150 HydrophobicContact CD2-CD2 4.33Å
123	Q	93.8	Very high	95.1	Very high	115 Å²	115	39 Å²	39	54%	0.537	21%	0.21	S	C	.	.			trans	-98.8	-41.7	-178.1	-56.8	-177.4	-10.7	0	0	110.6	R100 Q121	R100-Q123 PolarHBondContact O-N 3.07Å; Q121-Q123 WeakPolarHBondContact O-CG 3.37Å; Q121-Q123 PolarHBondContact O-N 2.84Å
124	T	95	Very high	95	Very high	58 Å²	58	43.4 Å²	43.4	36%	0.356	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	121.5	-177.6	-56.8	0	0	0	0	110.1	R100 L102	R100-T124 PolarHBondContact O-N 3Å; L102-T124 PolarHBondContact N-O 3Å
125	L	97.6	Very high	95	Very high	2 Å²	2	46.7 Å²	46.7	1%	0.01	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	105.4	174.8	175.9	54.5	0	0	0	109.3	L102 L104 L116 L122 L127 Y140 T146 L149 L150	L102-L125 HydrophobicContact CB-CD1 4.24Å; L102-L125 HydrophobicContact CD2-CD1 3.98Å; L102-L125 HydrophobicContact CG-CD1 4.06Å; L102-L125 CarbonylContact O-C 3.19Å; L102-L125 WeakPolarHBondContact O-CA 3.47Å; L104-L125 HydrophobicContact CD1-CD1 4.13Å; L116-L125 HydrophobicContact CD2-CD2 4.32Å; L122-L125 HydrophobicContact CD2-CB 3.83Å; 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 4.2Å; L125-L127 HydrophobicContact CD1-CG 4.15Å; L125-L127 HydrophobicContact CD2-CD1 3.87Å; L125-L127 HydrophobicContact CD2-CG 4.37Å; L125-L127 HydrophobicContact CG-CD1 3.94Å; L125-L127 HydrophobicContact CG-CD2 4.46Å; L125-L127 HydrophobicContact CG-CG 3.9Å; L125-Y140 WeakPolarHBondContact O-CE2 3.28Å; L125-Y140 VanDerWaalsContact O-CZ 3.23Å; L125-Y140 PolarHBondContact O-OH 3.37Å; L125-T146 HydrophobicContact CB-CG2 3.66Å; L125-L149 HydrophobicContact CD2-CD2 4.14Å; L125-L150 HydrophobicContact CD2-CD2 4.46Å
126	G	97.3	Very high	95.1	Very high	5 Å²	5	45.9 Å²	45.9	5%	0.052	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	106.7	-178.8	0	0	0	0	0	112.7	L102 L104 N105	L102-G126 PolarHBondContact O-N 3.23Å; L104-G126 CarbonylContact C-O 3.44Å; L104-G126 WeakPolarHBondContact CA-O 3.26Å; L104-G126 VanDerWaalsContact CB-O 3.25Å; L104-G126 WeakPolarHBondContact CB-O 3.49Å; L104-G126 PolarHBondContact N-O 3.08Å; N105-G126 PolarHBondContact N-O 3.09Å; N105-G126 VanDerWaalsContact N-O 3.16Å; N105-G126 VanDerWaalsContact OD1-C 3.24Å; N105-G126 WeakPolarHBondContact OD1-CA 2.9Å
127	L	97.6	Very high	95	Very high	1 Å²	1	47.6 Å²	47.6	1%	0.005	25%	0.254	C	S	.	.			trans	-114.6	0.5	-179	-67.8	170.6	0	0	0	115	L104 N105 L112 L125 N130 L132 Y140 L149	L104-L127 HydrophobicContact CB-CD2 4.23Å; L104-L127 HydrophobicContact CD1-CD2 3.97Å; N105-L127 PolarHBondContact OD1-N 3.2Å; L112-L127 HydrophobicContact CD1-CD1 3.83Å; L112-L127 HydrophobicContact CD1-CD2 4.3Å; L112-L127 HydrophobicContact CD2-CD2 3.95Å; L125-L127 HydrophobicContact CD1-CD2 4.2Å; L125-L127 HydrophobicContact CD1-CG 4.15Å; L125-L127 HydrophobicContact CD2-CD1 3.87Å; L125-L127 HydrophobicContact CD2-CG 4.37Å; L125-L127 HydrophobicContact CG-CD1 3.94Å; L125-L127 HydrophobicContact CG-CD2 4.46Å; L125-L127 HydrophobicContact CG-CG 3.9Å; L127-N130 PolarHBondContact O-N 2.82Å; L127-N130 PolarHBondContact O-ND2 3.43Å; L127-L132 HydrophobicContact CB-CD1 4.02Å; L127-L132 HydrophobicContact CD1-CD1 4.15Å; L127-L132 HydrophobicContact CD2-CD1 4.25Å; L127-L132 HydrophobicContact CG-CD1 4.37Å; L127-Y140 HydrophobicContact CB-CD1 4.42Å; L127-Y140 HydrophobicContact CB-CE1 4.19Å; L127-Y140 HydrophobicContact CD1-CD2 4.1Å; L127-Y140 HydrophobicContact CD1-CE2 4.36Å; L127-Y140 HydrophobicContact CD1-CG 4.29Å; L127-L149 HydrophobicContact CD1-CD2 3.63Å
128	K	95.8	Very high	95	Very high	162 Å²	162	51.1 Å²	51.1	70%	0.704	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	141.3	-173.1	-174.2	178.1	178.6	180	0	111.3	N105 N106 N130	N105-K128 CarbonylContact C-O 3.49Å; N105-K128 WeakPolarHBondContact CA-O 3.45Å; N105-K128 WeakPolarHBondContact OD1-CB 3.33Å; N105-K128 PolarHBondContact OD1-N 2.71Å; N106-K128 PolarHBondContact N-O 2.87Å; K128-N130 VanDerWaalsContact C-N 3.34Å
129	G	96.2	Very high	95.1	Very high	50 Å²	50	50.7 Å²	50.7	52%	0.515	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.3	14.4	176.9	0	0	0	0	0	114.7
130	N	98	Very high	95.1	Very high	14 Å²	14	53.8 Å²	53.8	8%	0.075	29%	0.285	C	S	.	.	S	Bend	trans	-99	145.5	169.3	-74.2	-81.5	0	0	0	111.5	L104 N107 L108 L109 L127 K128 L132	L104-N130 PolarHBondContact O-ND2 2.86Å; N107-N130 VanDerWaalsContact CA-OD1 3.25Å; N107-N130 WeakPolarHBondContact CA-OD1 3.44Å; N107-N130 WeakPolarHBondContact CB-OD1 3.39Å; N107-N130 PolarHBondContact N-OD1 3.26Å; N107-N130 PolarHBondContact O-OD1 2.96Å; L108-N130 PolarHBondContact N-OD1 3.24Å; L109-N130 HydrophobicContact CB-CB 4.1Å; L109-N130 VanDerWaalsContact CB-OD1 3.29Å; L109-N130 WeakPolarHBondContact CB-OD1 3.48Å; L109-N130 WeakPolarHBondContact CG-OD1 3.22Å; L109-N130 PolarHBondContact N-OD1 2.95Å; L127-N130 PolarHBondContact O-N 2.82Å; L127-N130 PolarHBondContact O-ND2 3.43Å; K128-N130 VanDerWaalsContact C-N 3.34Å; N130-L132 HydrophobicContact CB-CD1 4.24Å; N130-L132 HydrophobicContact CB-CG 3.95Å; N130-L132 PolarHBondContact O-N 3.1Å
131	P	97.2	Very high	95.2	Very high	67 Å²	67	57.9 Å²	57.9	44%	0.435	31%	0.305	S	S	.	.			trans	-78.4	51.4	175.2	35.3	-38	0	0	0	112.8	L109 R110	L109-P131 CarbonylContact O-C 3.22Å; L109-P131 VanDerWaalsContact O-C 3.26Å; L109-P131 VanDerWaalsContact O-CD 3.22Å; L109-P131 WeakPolarHBondContact O-CD 3.42Å; L109-P131 WeakPolarHBondContact O-CG 3.33Å; R110-P131 WeakPolarHBondContact CA-O 3.36Å; R110-P131 HydrophobicContact CG-CG 3.97Å
132	L	96.7	Very high	95.2	Very high	13 Å²	13	59.6 Å²	59.6	7%	0.068	31%	0.313	C	S	.	.			trans	-71.1	158.2	177.1	-67.1	169.6	0	0	0	111.4	L109 L112 L127 N130 I136 L137	L109-L132 HydrophobicContact CB-CD2 4.14Å; L109-L132 PolarHBondContact O-N 3.26Å; L112-L132 HydrophobicContact CD2-CD2 4.23Å; L112-L132 HydrophobicContact CG-CD2 4.05Å; L127-L132 HydrophobicContact CB-CD1 4.02Å; L127-L132 HydrophobicContact CD1-CD1 4.15Å; L127-L132 HydrophobicContact CD2-CD1 4.25Å; 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 3.1Å; L132-I136 HydrophobicContact CB-CG2 4.49Å; L132-I136 HydrophobicContact CD1-CG2 4.13Å; L132-L137 HydrophobicContact CB-CD2 4.02Å; L132-L137 HydrophobicContact CB-CG 4.03Å; L132-L137 HydrophobicContact CD1-CD2 4.23Å
133	T	94.6	Very high	95	Very high	70 Å²	70	64.7 Å²	64.7	43%	0.429	35%	0.346	S	S	.	.			trans	-64.3	151.3	174.7	57.3	0	0	0	0	111.6	D135 I136 L137	T133-D135 PolarHBondContact O-N 3.49Å; T133-I136 PolarHBondContact O-N 3.27Å; T133-I136 WeakPolarHBondContact OG1-CG1 3.39Å; T133-L137 WeakPolarHBondContact O-CG 3.27Å; T133-L137 PolarHBondContact O-N 3.28Å; T133-L137 VanDerWaalsContact O-N 3.11Å
134	Q	92.8	Very high	94.8	Very high	114 Å²	114	63.2 Å²	63.2	53%	0.533	34%	0.342	S	S	.	.	H	α-helix	trans	-59.7	-35.5	-177	-167.7	61.1	44.1	0	0	112.3	I136 L137 N138	Q134-I136 PolarHBondContact O-N 3.39Å; Q134-L137 PolarHBondContact O-N 3.44Å; Q134-N138 PolarHBondContact NE2-OD1 3.48Å; Q134-N138 WeakPolarHBondContact O-CB 3.48Å; Q134-N138 PolarHBondContact O-N 3.25Å; Q134-N138 PolarHBondContact O-ND2 2.82Å; Q134-N138 PolarHBondContact O-OD1 3.42Å
135	D	92.8	Very high	94.8	Very high	116 Å²	116	60.7 Å²	60.7	62%	0.62	33%	0.328	S	S	*	.	H	α-helix	trans	-62.5	-44	179.5	-56.5	-33.8	0	0	0	112.3	T133 N138 L139	T133-D135 PolarHBondContact O-N 3.49Å; D135-N138 PolarHBondContact O-N 3.19Å; D135-L139 WeakPolarHBondContact O-CG 3.33Å; D135-L139 PolarHBondContact O-N 3.1Å; D135-L139 VanDerWaalsContact O-N 3.12Å
136	I	94.6	Very high	94.6	Very high	19 Å²	19	61.6 Å²	61.6	10%	0.097	33%	0.333	C	S	.	.	H	α-helix	trans	-66.5	-41.2	176.7	-64.7	-67.6	0	0	0	110.5	L112 L132 T133 Q134 L139 Y140 L149 Y152	L112-I136 HydrophobicContact CD1-CG2 4.1Å; L132-I136 HydrophobicContact CB-CG2 4.49Å; L132-I136 HydrophobicContact CD1-CG2 4.13Å; T133-I136 PolarHBondContact O-N 3.27Å; T133-I136 WeakPolarHBondContact OG1-CG1 3.39Å; Q134-I136 PolarHBondContact O-N 3.39Å; I136-L139 PolarHBondContact O-N 3.36Å; I136-Y140 WeakPolarHBondContact O-CB 3.48Å; I136-Y140 PolarHBondContact O-N 2.73Å; I136-L149 HydrophobicContact CD1-CD1 3.74Å; I136-L149 HydrophobicContact CG2-CD1 3.93Å; I136-L149 HydrophobicContact CG2-CD2 4.14Å; I136-Y152 HydrophobicContact CD1-CD1 4.41Å; I136-Y152 HydrophobicContact CD1-CE1 4.08Å
137	L	93.7	Very high	94.4	Very high	36 Å²	36	68.2 Å²	68.2	19%	0.188	36%	0.357	C	S	.	.	H	α-helix	trans	-64.8	-40.5	177.7	-68.6	176	0	0	0	111.8	L132 T133 Q134 Y140 Q141	L132-L137 HydrophobicContact CB-CD2 4.02Å; L132-L137 HydrophobicContact CB-CG 4.03Å; L132-L137 HydrophobicContact CD1-CD2 4.23Å; T133-L137 WeakPolarHBondContact O-CG 3.27Å; T133-L137 PolarHBondContact O-N 3.28Å; T133-L137 VanDerWaalsContact O-N 3.11Å; Q134-L137 PolarHBondContact O-N 3.44Å; L137-Y140 PolarHBondContact O-N 3.01Å; L137-Q141 WeakPolarHBondContact O-CB 3.38Å; L137-Q141 WeakPolarHBondContact O-CG 3.41Å; L137-Q141 PolarHBondContact O-N 3.16Å
138	N	94.7	Very high	94.2	Very high	75 Å²	75	73.9 Å²	73.9	40%	0.401	38%	0.378	S	S	.	.	H	α-helix	trans	-60.9	-50	176.6	-70.3	-13	0	0	0	110.6	Q134 D135 Y140 Q141 E142	Q134-N138 PolarHBondContact NE2-OD1 3.48Å; Q134-N138 WeakPolarHBondContact O-CB 3.48Å; Q134-N138 PolarHBondContact O-N 3.25Å; Q134-N138 PolarHBondContact O-ND2 2.82Å; Q134-N138 PolarHBondContact O-OD1 3.42Å; D135-N138 PolarHBondContact O-N 3.19Å; N138-Y140 VanDerWaalsContact C-N 3.3Å; N138-Y140 PolarHBondContact O-N 3.42Å; N138-Q141 PolarHBondContact O-N 3.35Å; N138-E142 PolarHBondContact O-N 3.03Å
139	L	94.2	Very high	94.2	Very high	45 Å²	45	66.2 Å²	66.2	24%	0.236	35%	0.345	C	S	.	.	H	α-helix	trans	-58	-41.6	176.1	-71.4	172.3	0	0	0	112.4	D135 I136 G145 Y152	D135-L139 WeakPolarHBondContact O-CG 3.33Å; D135-L139 PolarHBondContact O-N 3.1Å; D135-L139 VanDerWaalsContact O-N 3.12Å; I136-L139 PolarHBondContact O-N 3.36Å; L139-G145 WeakPolarHBondContact O-CA 3.34Å; L139-Y152 HydrophobicContact CD1-CD1 3.89Å; L139-Y152 HydrophobicContact CD1-CD2 4.02Å; L139-Y152 HydrophobicContact CD1-CE1 4.37Å; L139-Y152 HydrophobicContact CD1-CE2 4.48Å; L139-Y152 HydrophobicContact CD1-CG 3.71Å
140	Y	95.1	Very high	94.1	Very high	64 Å²	64	64 Å²	64	25%	0.251	32%	0.321	S	S	.	.	H	α-helix	trans	-72.2	-26.5	-178.8	179.5	-109.8	0	0	0	113.5	L125 L127 I136 L137 N138 L149	L125-Y140 WeakPolarHBondContact O-CE2 3.28Å; L125-Y140 VanDerWaalsContact O-CZ 3.23Å; L125-Y140 PolarHBondContact O-OH 3.37Å; L127-Y140 HydrophobicContact CB-CD1 4.42Å; L127-Y140 HydrophobicContact CB-CE1 4.19Å; L127-Y140 HydrophobicContact CD1-CD2 4.1Å; L127-Y140 HydrophobicContact CD1-CE2 4.36Å; L127-Y140 HydrophobicContact CD1-CG 4.29Å; I136-Y140 WeakPolarHBondContact O-CB 3.48Å; I136-Y140 PolarHBondContact O-N 2.73Å; L137-Y140 PolarHBondContact O-N 3.01Å; N138-Y140 VanDerWaalsContact C-N 3.3Å; N138-Y140 PolarHBondContact O-N 3.42Å; Y140-L149 HydrophobicContact CD2-CD2 4.32Å
141	Q	93.3	Very high	93.9	Very high	141 Å²	141	66.2 Å²	66.2	66%	0.659	33%	0.333	S	S	*	.	H	α-helix	trans	-82.7	-13.3	179.9	-75.4	174.1	9	0	0	113.9	L137 N138	L137-Q141 WeakPolarHBondContact O-CB 3.38Å; L137-Q141 WeakPolarHBondContact O-CG 3.41Å; L137-Q141 PolarHBondContact O-N 3.16Å; N138-Q141 PolarHBondContact O-N 3.35Å
142	E	92.9	Very high	93.8	Very high	81 Å²	81	67.6 Å²	67.6	38%	0.379	33%	0.33	S	S	.	.	S	Bend	trans	-68.2	161.1	175.4	-71	-174.8	143.4	0	0	112.4	N138 D144 G145 R148	N138-E142 PolarHBondContact O-N 3.03Å; E142-D144 PolarHBondContact O-N 3.06Å; E142-G145 WeakPolarHBondContact O-CA 3.47Å; E142-G145 PolarHBondContact O-N 2.66Å; E142-R148 IonicContact OE1-NH1 3.39Å; E142-R148 PolarHBondContact OE1-NH1 2.96Å; E142-R148 WeakPolarHBondContact OE2-CD 3.33Å; E142-R148 IonicContact OE2-CZ 3.28Å; E142-R148 IonicContact OE2-NE 3.46Å; E142-R148 IonicContact OE2-NH1 2.72Å; E142-R148 PolarHBondContact OE2-NH1 3.21Å
143	P	91.1	Very high	93.7	Very high	110 Å²	110	67 Å²	67	71%	0.714	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	132	168.8	-22.4	33.5	0	0	0	110.7	G145 R148	P143-G145 PolarHBondContact O-N 2.98Å; P143-R148 PolarHBondContact O-NE 2.93Å
144	D	90.3	Very high	93.6	Very high	84 Å²	84	63.9 Å²	63.9	45%	0.449	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.2	30.6	-172.3	-153.2	15.3	0	0	0	113.6	E142 T146 R147 R148	E142-D144 PolarHBondContact O-N 3.06Å; D144-T146 PolarHBondContact O-N 3.02Å; D144-T146 VanDerWaalsContact O-N 3.16Å; D144-R147 PolarHBondContact O-N 3.05Å; D144-R147 WeakPolarHBondContact OD1-CD 3.28Å; D144-R147 VanDerWaalsContact OD1-CG 3.24Å; D144-R147 WeakPolarHBondContact OD1-CG 3.25Å; D144-R147 IonicContact OD1-CZ 3.53Å; D144-R147 IonicContact OD1-NE 3.64Å; D144-R147 IonicContact OD1-NH1 2.83Å; D144-R147 PolarHBondContact OD1-NH1 3.16Å; D144-R147 VanDerWaalsContact OD2-CD 3.3Å; D144-R147 WeakPolarHBondContact OD2-CD 3.49Å; D144-R147 IonicContact OD2-CZ 3.78Å; D144-R147 IonicContact OD2-NE 2.64Å; D144-R147 IonicContact OD2-NH1 3Å; D144-R147 PolarHBondContact OD2-NH1 3.07Å; D144-R148 PolarHBondContact O-N 3.26Å
145	G	93.4	Very high	93.6	Very high	6 Å²	6	60.5 Å²	60.5	6%	0.062	29%	0.293	C	S	.	.	H	α-helix	trans	-56.3	-31.1	-174.9	0	0	0	0	0	114.8	L139 E142 P143 L149	L139-G145 WeakPolarHBondContact O-CA 3.34Å; E142-G145 WeakPolarHBondContact O-CA 3.47Å; E142-G145 PolarHBondContact O-N 2.66Å; P143-G145 PolarHBondContact O-N 2.98Å; G145-L149 WeakPolarHBondContact O-CB 3.2Å; G145-L149 PolarHBondContact O-N 2.94Å
146	T	94.1	Very high	93.5	Very high	21 Å²	21	58.2 Å²	58.2	13%	0.129	28%	0.281	C	S	.	.	H	α-helix	trans	-57	-56.6	170.2	-60.2	0	0	0	0	110.7	L125 D144 R148 L149 L150	L125-T146 HydrophobicContact CB-CG2 3.66Å; D144-T146 PolarHBondContact O-N 3.02Å; D144-T146 VanDerWaalsContact O-N 3.16Å; T146-R148 PolarHBondContact O-N 3.3Å; T146-L149 PolarHBondContact O-N 3.3Å; T146-L150 HydrophobicContact CG2-CD1 3.86Å; T146-L150 VanDerWaalsContact O-CG 3.22Å; T146-L150 WeakPolarHBondContact O-CG 3.43Å; T146-L150 PolarHBondContact O-N 3.34Å
147	R	93.3	Very high	93.1	Very high	143 Å²	143	58.3 Å²	58.3	54%	0.54	28%	0.282	S	S	.	.	H	α-helix	trans	-66.1	-41	-177.7	-65.4	-166.1	-168	125.4	-8.2	111.9	D144 L149 L150 N151	D144-R147 PolarHBondContact O-N 3.05Å; D144-R147 WeakPolarHBondContact OD1-CD 3.28Å; D144-R147 VanDerWaalsContact OD1-CG 3.24Å; D144-R147 WeakPolarHBondContact OD1-CG 3.25Å; D144-R147 IonicContact OD1-CZ 3.53Å; D144-R147 IonicContact OD1-NE 3.64Å; D144-R147 IonicContact OD1-NH1 2.83Å; D144-R147 PolarHBondContact OD1-NH1 3.16Å; D144-R147 VanDerWaalsContact OD2-CD 3.3Å; D144-R147 WeakPolarHBondContact OD2-CD 3.49Å; D144-R147 IonicContact OD2-CZ 3.78Å; D144-R147 IonicContact OD2-NE 2.64Å; D144-R147 IonicContact OD2-NH1 3Å; D144-R147 PolarHBondContact OD2-NH1 3.07Å; R147-L149 PolarHBondContact O-N 3.48Å; R147-L150 PolarHBondContact O-N 3.3Å; R147-N151 WeakPolarHBondContact O-CB 3.37Å; R147-N151 PolarHBondContact O-N 3.05Å; R147-N151 PolarHBondContact O-ND2 2.95Å; R147-N151 PolarHBondContact O-OD1 3.25Å
148	R	93.5	Very high	91.8	Very high	121 Å²	121	60 Å²	60	46%	0.457	30%	0.297	S	S	.	.	H	α-helix	trans	-58.6	-47.2	176.6	-71.1	-173.3	175.7	-141.1	-5	111.8	E142 P143 D144 T146 N151 Y152	E142-R148 IonicContact OE1-NH1 3.39Å; E142-R148 PolarHBondContact OE1-NH1 2.96Å; E142-R148 WeakPolarHBondContact OE2-CD 3.33Å; E142-R148 IonicContact OE2-CZ 3.28Å; E142-R148 IonicContact OE2-NE 3.46Å; E142-R148 IonicContact OE2-NH1 2.72Å; E142-R148 PolarHBondContact OE2-NH1 3.21Å; P143-R148 PolarHBondContact O-NE 2.93Å; D144-R148 PolarHBondContact O-N 3.26Å; T146-R148 PolarHBondContact O-N 3.3Å; R148-N151 PolarHBondContact O-N 2.85Å; R148-Y152 WeakPolarHBondContact O-CB 3.48Å; R148-Y152 PolarHBondContact O-N 2.79Å
149	L	95.6	Very high	89.9	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-62.9	-46.3	177.7	177.4	58.6	0	0	0	111.5	L112 L125 L127 I136 Y140 G145 T146 R147 N151 Y152 L153	L112-L149 HydrophobicContact CD1-CD2 3.88Å; L125-L149 HydrophobicContact CD2-CD2 4.14Å; L127-L149 HydrophobicContact CD1-CD2 3.63Å; I136-L149 HydrophobicContact CD1-CD1 3.74Å; I136-L149 HydrophobicContact CG2-CD1 3.93Å; I136-L149 HydrophobicContact CG2-CD2 4.14Å; Y140-L149 HydrophobicContact CD2-CD2 4.32Å; G145-L149 WeakPolarHBondContact O-CB 3.2Å; G145-L149 PolarHBondContact O-N 2.94Å; T146-L149 PolarHBondContact O-N 3.3Å; R147-L149 PolarHBondContact O-N 3.48Å; L149-N151 VanDerWaalsContact C-N 3.33Å; L149-N151 PolarHBondContact O-N 2.91Å; L149-Y152 WeakPolarHBondContact O-CB 3.24Å; L149-Y152 PolarHBondContact O-N 3.35Å; L149-L153 HydrophobicContact CD1-CD1 4.22Å; L149-L153 HydrophobicContact CD1-CG 4.15Å; L149-L153 HydrophobicContact CG-CD1 4.17Å; L149-L153 HydrophobicContact CG-CG 4.5Å; L149-L153 VanDerWaalsContact O-CG 3.29Å; L149-L153 WeakPolarHBondContact O-CG 3.36Å; L149-L153 PolarHBondContact O-N 2.69Å
150	L	95.2	Very high	87.4	Confident	5 Å²	5	60.8 Å²	60.8	3%	0.026	32%	0.319	C	S	.	.	H	α-helix	trans	-62	-41.4	178.1	-65.9	170.5	0	0	0	112	L116 G117 L122 L125 T146 R147 L153 L154	L116-L150 HydrophobicContact CG-CD2 4.21Å; L116-L150 VanDerWaalsContact O-CD2 3.23Å; L116-L150 WeakPolarHBondContact O-CD2 3.4Å; G117-L150 WeakPolarHBondContact CA-O 3.31Å; L122-L150 HydrophobicContact CB-CD1 3.86Å; L122-L150 HydrophobicContact CD2-CD1 4.12Å; L122-L150 HydrophobicContact CD2-CD2 4.33Å; L125-L150 HydrophobicContact CD2-CD2 4.46Å; T146-L150 HydrophobicContact CG2-CD1 3.86Å; T146-L150 VanDerWaalsContact O-CG 3.22Å; T146-L150 WeakPolarHBondContact O-CG 3.43Å; T146-L150 PolarHBondContact O-N 3.34Å; R147-L150 PolarHBondContact O-N 3.3Å; L150-L153 PolarHBondContact O-N 2.8Å; L150-L154 WeakPolarHBondContact O-CB 2.91Å; L150-L154 PolarHBondContact O-N 3.2Å
151	N	93.8	Very high	84.6	Confident	59 Å²	59	61.5 Å²	61.5	32%	0.316	34%	0.338	S	S	.	.	H	α-helix	trans	-62.4	-46	175.5	-68.5	-11.5	0	0	0	111.5	R147 R148 L149 L153 L154 D155 R204	R147-N151 WeakPolarHBondContact O-CB 3.37Å; R147-N151 PolarHBondContact O-N 3.05Å; R147-N151 PolarHBondContact O-ND2 2.95Å; R147-N151 PolarHBondContact O-OD1 3.25Å; R148-N151 PolarHBondContact O-N 2.85Å; L149-N151 VanDerWaalsContact C-N 3.33Å; L149-N151 PolarHBondContact O-N 2.91Å; N151-L153 VanDerWaalsContact C-N 3.32Å; N151-L153 PolarHBondContact O-N 2.89Å; N151-L154 PolarHBondContact O-N 2.88Å; N151-D155 WeakPolarHBondContact O-CB 2.88Å; N151-D155 VanDerWaalsContact O-CG 3.24Å; N151-D155 PolarHBondContact O-N 2.73Å; N151-R204 VanDerWaalsContact CG-NH2 3.35Å; N151-R204 PolarHBondContact OD1-NH2 3.12Å
152	Y	94.1	Very high	82.1	Confident	96 Å²	96	65.3 Å²	65.3	38%	0.376	35%	0.352	S	S	.	.	H	α-helix	trans	-57.1	-45.9	174.5	170.8	-94.8	0	0	0	111.4	F114 I136 L139 R148 L149 N156	F114-Y152 HydrophobicContact CE1-CE1 4.27Å; I136-Y152 HydrophobicContact CD1-CD1 4.41Å; I136-Y152 HydrophobicContact CD1-CE1 4.08Å; L139-Y152 HydrophobicContact CD1-CD1 3.89Å; L139-Y152 HydrophobicContact CD1-CD2 4.02Å; L139-Y152 HydrophobicContact CD1-CE1 4.37Å; L139-Y152 HydrophobicContact CD1-CE2 4.48Å; L139-Y152 HydrophobicContact CD1-CG 3.71Å; R148-Y152 WeakPolarHBondContact O-CB 3.48Å; R148-Y152 PolarHBondContact O-N 2.79Å; L149-Y152 WeakPolarHBondContact O-CB 3.24Å; L149-Y152 PolarHBondContact O-N 3.35Å; Y152-N156 WeakPolarHBondContact CD2-ND2 3.19Å; Y152-N156 WeakPolarHBondContact CE2-ND2 3.42Å; Y152-N156 WeakPolarHBondContact O-CB 3.45Å; Y152-N156 PolarHBondContact O-N 2.69Å; Y152-N156 PolarHBondContact O-ND2 2.92Å
153	L	94.8	Very high	79.8	Confident	2 Å²	2	69.7 Å²	69.7	1%	0.01	37%	0.366	C	S	.	.	H	α-helix	trans	-64.7	-42.7	178.7	-67.5	175.3	0	0	0	111.7	L112 F114 L116 L149 L150 N151 N156 L157	L112-L153 HydrophobicContact CB-CD1 4.35Å; L112-L153 HydrophobicContact CD1-CD1 4.43Å; F114-L153 HydrophobicContact CD1-CB 4.4Å; F114-L153 HydrophobicContact CD1-CD2 3.81Å; F114-L153 WeakPolarHBondContact CD1-O 3.45Å; F114-L153 HydrophobicContact CE1-CD2 4.09Å; F114-L153 HydrophobicContact CG-CD2 4.35Å; L116-L153 HydrophobicContact CB-CD1 4.03Å; L116-L153 HydrophobicContact CD2-CD1 4.35Å; L149-L153 HydrophobicContact CD1-CD1 4.22Å; L149-L153 HydrophobicContact CD1-CG 4.15Å; L149-L153 HydrophobicContact CG-CD1 4.17Å; L149-L153 HydrophobicContact CG-CG 4.5Å; L149-L153 VanDerWaalsContact O-CG 3.29Å; L149-L153 WeakPolarHBondContact O-CG 3.36Å; L149-L153 PolarHBondContact O-N 2.69Å; L150-L153 PolarHBondContact O-N 2.8Å; N151-L153 VanDerWaalsContact C-N 3.32Å; N151-L153 PolarHBondContact O-N 2.89Å; L153-N156 PolarHBondContact O-N 2.83Å; L153-L157 PolarHBondContact O-N 2.94Å; L153-L157 VanDerWaalsContact O-N 3.09Å
154	L	93.1	Very high	77.7	Confident	4 Å²	4	68.1 Å²	68.1	2%	0.021	35%	0.35	C	S	.	.	H	α-helix	trans	-66.2	-42.9	179.7	-173.9	57.3	0	0	0	112.2	K118 L150 N151 N156 L157 G208 P211	K118-L154 HydrophobicContact CG-CD1 4.17Å; L150-L154 WeakPolarHBondContact O-CB 2.91Å; L150-L154 PolarHBondContact O-N 3.2Å; N151-L154 PolarHBondContact O-N 2.88Å; L154-N156 PolarHBondContact O-N 2.83Å; L154-L157 HydrophobicContact CD1-CD2 4.22Å; L154-L157 VanDerWaalsContact O-CB 3.28Å; L154-L157 WeakPolarHBondContact O-CB 3.48Å; L154-L157 PolarHBondContact O-N 2.83Å; L154-G208 WeakPolarHBondContact CD2-O 3.33Å; L154-P211 HydrophobicContact CD1-CG 4.21Å; L154-P211 HydrophobicContact CG-CB 4.46Å; L154-P211 HydrophobicContact CG-CG 4.03Å
155	D	92.6	Very high	75.7	Confident	42 Å²	42	67.6 Å²	67.6	23%	0.225	35%	0.35	C	S	.	.	H	α-helix	trans	-69.1	-26.9	-177.3	-69.9	-5.9	0	0	0	111.9	N151 R204 P211 S212 W213	N151-D155 WeakPolarHBondContact O-CB 2.88Å; N151-D155 VanDerWaalsContact O-CG 3.24Å; N151-D155 PolarHBondContact O-N 2.73Å; D155-R204 IonicContact OD1-NH1 3.52Å; D155-R204 PolarHBondContact OD1-NH1 3.49Å; D155-P211 WeakPolarHBondContact OD1-CA 3.4Å; D155-S212 PolarHBondContact OD1-N 2.79Å; D155-S212 PolarHBondContact OD1-OG 3.24Å; D155-S212 VanDerWaalsContact OD2-CB 3.24Å; D155-S212 WeakPolarHBondContact OD2-CB 3.2Å; D155-S212 PolarHBondContact OD2-OG 2.86Å; D155-W213 PolarHBondContact O-NE1 2.85Å; D155-W213 VanDerWaalsContact O-NE1 3.16Å
156	N	90.8	Very high	73.6	Confident	68 Å²	68	73 Å²	73	36%	0.364	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.8	0.7	177.6	-70.4	-82.5	0	0	0	114.1	F114 Y152 L153 L154 S158 G159	F114-N156 HydrophobicContact CD1-CB 3.69Å; F114-N156 HydrophobicContact CE1-CB 3.44Å; F114-N156 VanDerWaalsContact CE1-CB 3.44Å; F114-N156 HydrophobicContact CZ-CB 4.42Å; Y152-N156 WeakPolarHBondContact CD2-ND2 3.19Å; Y152-N156 WeakPolarHBondContact CE2-ND2 3.42Å; Y152-N156 WeakPolarHBondContact O-CB 3.45Å; Y152-N156 PolarHBondContact O-N 2.69Å; Y152-N156 PolarHBondContact O-ND2 2.92Å; L153-N156 PolarHBondContact O-N 2.83Å; L154-N156 PolarHBondContact O-N 2.83Å; N156-S158 PolarHBondContact O-N 2.93Å; N156-S158 VanDerWaalsContact O-N 3.16Å; N156-G159 PolarHBondContact O-N 3.44Å
157	L	86.1	Confident	72.1	Confident	22 Å²	22	77.6 Å²	77.6	12%	0.115	40%	0.402	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-31.1	-178.3	-179.5	61.5	0	0	0	113.1	F114 E115 K118 L153 L154 G159	F114-L157 HydrophobicContact CB-CB 4.34Å; F114-L157 HydrophobicContact CB-CD1 3.71Å; E115-L157 HydrophobicContact CB-CD1 4.46Å; E115-L157 HydrophobicContact CG-CD1 3.86Å; K118-L157 HydrophobicContact CG-CD2 4.24Å; L153-L157 PolarHBondContact O-N 2.94Å; L153-L157 VanDerWaalsContact O-N 3.09Å; L154-L157 HydrophobicContact CD1-CD2 4.22Å; L154-L157 VanDerWaalsContact O-CB 3.28Å; L154-L157 WeakPolarHBondContact O-CB 3.48Å; L154-L157 PolarHBondContact O-N 2.83Å; L157-G159 VanDerWaalsContact C-N 3.33Å; L157-G159 PolarHBondContact O-N 2.96Å
158	S	66.6	Low	71.4	Confident	72 Å²	72	77.6 Å²	77.6	50%	0.503	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-20.5	178.5	50.3	0	0	0	0	114	N156	N156-S158 PolarHBondContact O-N 2.93Å; N156-S158 VanDerWaalsContact O-N 3.16Å
159	G	53.6	Low	71	Confident	65 Å²	65	73.7 Å²	73.7	67%	0.67	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-20	-173.2	0	0	0	0	0	115.3	N156 L157	N156-G159 PolarHBondContact O-N 3.44Å; L157-G159 VanDerWaalsContact C-N 3.33Å; L157-G159 PolarHBondContact O-N 2.96Å
160	T	41.9	Very low	70.7	Confident	71 Å²	71	75.6 Å²	75.6	44%	0.436	41%	0.411	S	S	.	.	S	Bend	trans	-117.4	98.7	-173.7	48.7	0	0	0	0	112.2	F114	F114-T160 HydrophobicContact CD2-CG2 4.12Å; F114-T160 WeakPolarHBondContact CD2-OG1 3.38Å; F114-T160 HydrophobicContact CE2-CG2 3.61Å; F114-T160 WeakPolarHBondContact CE2-OG1 3.42Å; F114-T160 HydrophobicContact CZ-CG2 4.24Å
161	A	36.8	Very low	70.5	Confident	79 Å²	79	81.3 Å²	81.3	65%	0.653	45%	0.448	S	S	*	.	S	Bend	trans	64	94.1	160.4	0	0	0	0	0	118.2	R163	A161-R163 VanDerWaalsContact C-N 3.28Å; A161-R163 PolarHBondContact O-N 3.34Å
162	K	41.3	Very low	70.5	Confident	220 Å²	220	80.3 Å²	80.3	96%	0.957	44%	0.44	S	S	*	.	S	Bend	trans	53	20.3	134.8	-83.8	-175.3	172.4	-178.2	0	119.1
163	R	44.8	Very low	70.5	Confident	174 Å²	174	79.8 Å²	79.8	66%	0.657	45%	0.451	S	S	*	.			trans	-130.6	-5.1	-173.2	-77	-173.8	174.7	-162.4	-4.1	117.5	A161 T165	A161-R163 VanDerWaalsContact C-N 3.28Å; A161-R163 PolarHBondContact O-N 3.34Å; R163-T165 VanDerWaalsContact C-N 3.31Å; R163-T165 PolarHBondContact O-N 3.45Å
164	I	47	Very low	70.6	Confident	76 Å²	76	84.6 Å²	84.6	39%	0.39	47%	0.469	S	S	.	.	S	Bend	trans	-76.1	103.9	148.6	-55.1	174.9	0	0	0	102.7	T166	I164-T166 PolarHBondContact O-N 3.15Å
165	T	47.1	Very low	70.7	Confident	73 Å²	73	86.8 Å²	86.8	45%	0.448	48%	0.48	S	S	.	.			trans	-49.3	100	160.4	26.5	0	0	0	0	105.7	R163 E167 N517	R163-T165 VanDerWaalsContact C-N 3.31Å; R163-T165 PolarHBondContact O-N 3.45Å; T165-E167 PolarHBondContact O-N 2.77Å; T165-N517 PolarHBondContact OG1-OD1 2.98Å
166	T	49.4	Very low	70.9	Confident	121 Å²	121	89.4 Å²	89.4	74%	0.742	49%	0.492	S	S	*	.			trans	-71.1	40.1	170.2	50.4	0	0	0	0	109.2	I164 Q168	I164-T166 PolarHBondContact O-N 3.15Å; T166-Q168 PolarHBondContact O-N 2.76Å
167	E	63.5	Low	71.1	Confident	117 Å²	117	89.5 Å²	89.5	55%	0.547	49%	0.492	S	S	.	.			trans	-77.2	108.4	166.3	-68.5	-168.1	172.3	0	0	104.3	T165 W513	T165-E167 PolarHBondContact O-N 2.77Å; E167-W513 WeakPolarHBondContact O-CZ2 3.38Å
168	Q	77.6	Confident	71.5	Confident	143 Å²	143	91.9 Å²	91.9	67%	0.668	50%	0.503	S	S	*	.	P	Polyproline II helix	trans	-47.7	144.2	169.7	-70.5	-70.2	-27.2	0	0	108.6	T166	T166-Q168 PolarHBondContact O-N 2.76Å
169	P	85.1	Confident	72.7	Confident	38 Å²	38	94.7 Å²	94.7	25%	0.247	51%	0.508	C	S	.	.	P	Polyproline II helix	trans	-53.6	135.8	176.2	23.1	-32	0	0	0	109	L509 W513	P169-L509 HydrophobicContact CB-CD1 3.91Å; P169-W513 HydrophobicContact CB-CE3 4.49Å; P169-W513 HydrophobicContact CB-CH2 3.85Å; P169-W513 HydrophobicContact CB-CZ2 4.02Å; P169-W513 HydrophobicContact CB-CZ3 4.1Å
170	P	89.9	Confident	74.4	Confident	41 Å²	41	93.3 Å²	93.3	27%	0.266	49%	0.487	S	S	.	.	P	Polyproline II helix	trans	-58.7	143.1	177	24.6	-33.3	0	0	0	109.2	R172 L509 D510 W513	P170-R172 PolarHBondContact O-N 2.92Å; P170-L509 HydrophobicContact CG-CD1 4.38Å; P170-D510 HydrophobicContact CG-CB 3.89Å; P170-W513 VanDerWaalsContact CD-CG 3.45Å; P170-W513 HydrophobicContact CG-CB 4.06Å; P170-W513 HydrophobicContact CG-CG 4.05Å
171	P	90.7	Very high	76.5	Confident	124 Å²	124	92.1 Å²	92.1	81%	0.805	48%	0.478	S	S	*	.	P	Polyproline II helix	trans	-59.9	138.3	176.7	26.6	-33.8	0	0	0	109.5
172	R	94.5	Very high	78.8	Confident	38 Å²	38	97.9 Å²	97.9	14%	0.143	48%	0.483	C	S	.	.	P	Polyproline II helix	trans	-67.9	136.1	178.9	-68.9	171.1	60.8	-170.2	0.1	110.3	P170 E227 L506 G507 L509 S533	P170-R172 PolarHBondContact O-N 2.92Å; R172-E227 IonicContact NH1-OE1 3.82Å; R172-L506 HydrophobicContact CB-CD1 3.68Å; R172-L506 HydrophobicContact CB-CD2 4.28Å; R172-L506 HydrophobicContact CB-CG 3.86Å; R172-L506 PolarHBondContact NH2-O 2.67Å; R172-G507 PolarHBondContact NE-O 3.28Å; R172-G507 PolarHBondContact NH2-O 3.33Å; R172-L509 HydrophobicContact CG-CB 4.44Å; R172-L509 HydrophobicContact CG-CD1 4.47Å; R172-S533 VanDerWaalsContact CZ-O 3.28Å; R172-S533 PolarHBondContact NH1-O 3.4Å; R172-S533 PolarHBondContact NH1-OG 3.11Å; R172-S533 PolarHBondContact NH2-O 3.18Å
173	S	93.8	Very high	80.7	Confident	86 Å²	86	92.7 Å²	92.7	60%	0.601	47%	0.47	S	S	*	.	P	Polyproline II helix	trans	-75.5	135.7	-176.8	-60.9	0	0	0	0	112.1	G507	S173-G507 WeakPolarHBondContact O-CA 3.34Å; S173-G507 PolarHBondContact O-N 3.35Å
174	W	96.5	Very high	82.5	Confident	102 Å²	102	86.4 Å²	86.4	39%	0.386	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	132.2	168.3	-176	-106.1	0	0	0	110.8	G504 I505 F535 Q537	W174-G504 WeakPolarHBondContact CH2-O 3.49Å; W174-G504 VanDerWaalsContact CZ2-CA 3.45Å; W174-I505 VanDerWaalsContact CE3-O 3.29Å; W174-I505 VanDerWaalsContact CZ3-C 3.45Å; W174-F535 HydrophobicContact CH2-CD1 4.1Å; W174-F535 AromaticContact CH2-CE1 3.83Å; W174-F535 HydrophobicContact CH2-CE1 3.83Å; W174-F535 AromaticContact CZ3-CD1 3.55Å; W174-F535 HydrophobicContact CZ3-CD1 3.55Å; W174-F535 AromaticContact CZ3-CE1 3.51Å; W174-F535 HydrophobicContact CZ3-CE1 3.51Å; W174-Q537 HydrophobicContact CH2-CB 3.68Å; W174-Q537 HydrophobicContact CZ2-CB 3.87Å
175	I	96.2	Very high	84.2	Confident	50 Å²	50	83.5 Å²	83.5	26%	0.256	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	113.3	176.2	-54.1	173.3	0	0	0	108.1	L177 G504 I505	I175-L177 HydrophobicContact CG2-CD2 4.08Å; I175-G504 CarbonylContact O-C 3.26Å; I175-G504 WeakPolarHBondContact O-CA 3.36Å; I175-I505 HydrophobicContact CB-CG1 4.02Å; I175-I505 HydrophobicContact CD1-CD1 4.26Å; I175-I505 PolarHBondContact N-O 3.28Å; I175-I505 PolarHBondContact O-N 3.4Å
176	M	95.9	Very high	86.3	Confident	98 Å²	98	80.3 Å²	80.3	48%	0.483	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	127.5	172.6	-169.1	66.8	83.5	0	0	109.6	L503	M176-L503 VanDerWaalsContact SD-O 3.35Å
177	L	94.8	Very high	88.3	Confident	70 Å²	70	74.5 Å²	74.5	37%	0.366	38%	0.377	S	S	.	.			trans	-104.2	-40.6	-179.6	-61.1	177.6	0	0	0	111.8	I175 L476 T502 L503 I505	I175-L177 HydrophobicContact CG2-CD2 4.08Å; L177-L476 HydrophobicContact CD2-CD1 4.17Å; L177-T502 HydrophobicContact CD1-CG2 3.85Å; L177-L503 WeakPolarHBondContact CA-O 3.33Å; L177-L503 PolarHBondContact N-O 2.99Å; L177-I505 HydrophobicContact CD1-CG1 4.47Å; L177-I505 HydrophobicContact CD1-CG2 4.21Å
178	Q	94	Very high	89.8	Confident	71 Å²	71	70.3 Å²	70.3	33%	0.332	36%	0.358	S	S	.	.			trans	-157.8	154.1	177.1	50.8	167.1	75	0	0	111.2	T502 L503	Q178-T502 WeakPolarHBondContact CG-O 3.3Å; Q178-L503 HydrophobicContact CG-CD2 4.11Å; Q178-L503 PolarHBondContact N-O 2.95Å; Q178-L503 VanDerWaalsContact N-O 3.08Å
179	E	92.3	Very high	90.8	Very high	132 Å²	132	63.6 Å²	63.6	62%	0.617	33%	0.327	S	S	*	.			trans	-75.6	152.6	173	-68.7	-64.6	150.7	0	0	111.5
180	P	88.9	Confident	91.4	Very high	35 Å²	35	62.4 Å²	62.4	23%	0.227	32%	0.32	C	S	.	.			trans	-60.5	141.3	173.4	-16.6	26	0	0	0	112.7	R182 L503 E539	P180-R182 PolarHBondContact O-N 3.4Å; P180-L503 HydrophobicContact CB-CD1 4.23Å; P180-L503 HydrophobicContact CG-CD1 3.86Å; P180-E539 VanDerWaalsContact CA-OE1 3.26Å; P180-E539 WeakPolarHBondContact CA-OE1 3.32Å
181	D	86.1	Confident	91.9	Very high	46 Å²	46	60.5 Å²	60.5	25%	0.246	31%	0.307	C	S	.	.			trans	-73.2	113.2	170.8	-175.3	-3.3	0	0	0	110.2	T183 T186 E539 L541	D181-T183 VanDerWaalsContact OD1-CB 3.29Å; D181-T183 WeakPolarHBondContact OD1-CB 3.47Å; D181-T183 WeakPolarHBondContact OD1-CG2 3.28Å; D181-T183 PolarHBondContact OD1-N 3.01Å; D181-T183 PolarHBondContact OD1-OG1 3.45Å; D181-T183 PolarHBondContact OD2-OG1 3.41Å; D181-T186 WeakPolarHBondContact O-CG2 3.36Å; D181-E539 PolarHBondContact N-OE1 3.35Å; D181-L541 HydrophobicContact CB-CD2 4.2Å
182	R	84.7	Confident	92.2	Very high	200 Å²	200	54.6 Å²	54.6	76%	0.755	27%	0.268	S	S	*	.			trans	-95.6	4.3	178.7	-59.7	-172.9	-178.6	-173.3	1	113.6	P180 P342	P180-R182 PolarHBondContact O-N 3.4Å; R182-P342 VanDerWaalsContact O-CB 3.3Å; R182-P342 WeakPolarHBondContact O-CB 3.28Å; R182-P342 WeakPolarHBondContact O-CG 3.49Å
183	T	83.1	Confident	92.4	Very high	111 Å²	111	52.8 Å²	52.8	68%	0.681	26%	0.262	S	S	*	.	S	Bend	trans	-86.3	-21.8	-176.4	68.8	0	0	0	0	113.1	D181	D181-T183 VanDerWaalsContact OD1-CB 3.29Å; D181-T183 WeakPolarHBondContact OD1-CB 3.47Å; D181-T183 WeakPolarHBondContact OD1-CG2 3.28Å; D181-T183 PolarHBondContact OD1-N 3.01Å; D181-T183 PolarHBondContact OD1-OG1 3.45Å; D181-T183 PolarHBondContact OD2-OG1 3.41Å
184	R	81	Confident	92.7	Very high	42 Å²	42	49 Å²	49	16%	0.158	24%	0.235	C	C	.	.	S	Bend	trans	-133.2	163.3	-178.6	65.9	-169.7	-58.8	158	10.5	111.4	T186 P342 L541 L542	R184-T186 HydrophobicContact CG-CG2 4.11Å; R184-T186 PolarHBondContact O-N 3.31Å; R184-P342 WeakPolarHBondContact O-CG 3.35Å; R184-L541 HydrophobicContact CG-CD2 4.39Å; R184-L542 VanDerWaalsContact CZ-O 3.28Å; R184-L542 PolarHBondContact NE-O 3.22Å; R184-L542 PolarHBondContact NH2-O 3.39Å
185	P	83.9	Confident	92.8	Very high	16 Å²	16	44.2 Å²	44.2	10%	0.104	22%	0.217	C	C	.	.			trans	-61.6	131	171.9	-22.1	34.5	0	0	0	111	I339 E340 M341 L542	P185-I339 HydrophobicContact CB-CG2 4.23Å; P185-E340 WeakPolarHBondContact CA-O 3.34Å; P185-M341 HydrophobicContact CB-SD 3.64Å; P185-M341 HydrophobicContact CG-CE 3.91Å; P185-M341 HydrophobicContact CG-SD 3.71Å; P185-L542 HydrophobicContact CB-CB 4.28Å; P185-L542 HydrophobicContact CB-CD1 4.2Å; P185-L542 WeakPolarHBondContact O-CB 3.16Å; P185-L542 PolarHBondContact O-N 3.17Å
186	T	89.6	Confident	92.9	Very high	5 Å²	5	41.9 Å²	41.9	3%	0.031	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	160.7	-179.5	60.7	0	0	0	0	111.1	D181 R184 E340 E539 L540 L541	D181-T186 WeakPolarHBondContact O-CG2 3.36Å; R184-T186 HydrophobicContact CG-CG2 4.11Å; R184-T186 PolarHBondContact O-N 3.31Å; T186-E340 PolarHBondContact N-O 2.79Å; T186-E340 VanDerWaalsContact N-O 3.16Å; T186-E340 PolarHBondContact O-N 2.8Å; T186-E539 HydrophobicContact CG2-CG 4.03Å; T186-L540 CarbonylContact C-O 3.49Å; T186-L540 VanDerWaalsContact CA-O 3.23Å; T186-L540 WeakPolarHBondContact CA-O 3.39Å; T186-L541 HydrophobicContact CG2-CD2 3.67Å
187	A	92.6	Very high	93	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	127	170.7	0	0	0	0	0	109.8	L334 L540	A187-L334 HydrophobicContact CB-CD1 4.46Å; A187-L334 HydrophobicContact CB-CD2 3.42Å; A187-L334 VanDerWaalsContact CB-CD2 3.42Å; A187-L540 HydrophobicContact CB-CB 4.37Å; A187-L540 PolarHBondContact N-O 3.44Å; A187-L540 PolarHBondContact O-N 3.49Å
188	L	95.5	Very high	93.1	Very high	28 Å²	28	34 Å²	34	15%	0.147	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	127.9	-178.5	-57	-174.4	0	0	0	110.6	K291 L503 E539	L188-K291 PolarHBondContact O-NZ 3.22Å; L188-L503 HydrophobicContact CD1-CD1 4.49Å; L188-L503 HydrophobicContact CD2-CD1 3.58Å; L188-E539 HydrophobicContact CD2-CB 3.71Å; L188-E539 HydrophobicContact CD2-CG 3.88Å
189	F	97.7	Very high	93.2	Very high	3 Å²	3	33.8 Å²	33.8	1%	0.013	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	151.6	174.2	65.2	-83.8	0	0	0	112.1	V191 D234 I235 F292 I355 V408 L500 L538 L540	F189-V191 HydrophobicContact CD2-CG2 3.79Å; F189-V191 HydrophobicContact CE2-CG2 3.58Å; F189-D234 WeakPolarHBondContact CA-OD2 3.23Å; F189-D234 HydrophobicContact CB-CB 4.11Å; F189-I235 HydrophobicContact CD2-CD1 3.83Å; F189-I235 HydrophobicContact CE2-CD1 3.95Å; F189-F292 HydrophobicContact CB-CE2 4.42Å; F189-F292 HydrophobicContact CB-CZ 3.97Å; F189-F292 HydrophobicContact CD1-CZ 4.5Å; F189-F292 HydrophobicContact CD2-CZ 4.24Å; F189-F292 AromaticContact CG-CZ 3.98Å; F189-F292 HydrophobicContact CG-CZ 3.98Å; F189-I355 HydrophobicContact CE1-CD1 3.99Å; F189-I355 HydrophobicContact CE2-CD1 3.98Å; F189-I355 HydrophobicContact CZ-CD1 3.35Å; F189-V408 HydrophobicContact CE2-CG2 4.29Å; F189-V408 HydrophobicContact CZ-CG2 4.29Å; F189-L500 HydrophobicContact CE1-CD2 3.86Å; F189-L500 HydrophobicContact CZ-CD2 3.74Å; F189-L538 HydrophobicContact CE1-CB 4.31Å; F189-L538 HydrophobicContact CE2-CB 4.13Å; F189-L538 HydrophobicContact CE2-CD1 4.02Å; F189-L538 HydrophobicContact CZ-CB 3.95Å; F189-L538 HydrophobicContact CZ-CD1 4.15Å; F189-L538 PolarHBondContact N-O 2.91Å; F189-L538 PolarHBondContact O-N 3.43Å; F189-L540 HydrophobicContact CE1-CB 4.11Å
190	S	98.5	Very high	93.3	Very high	13 Å²	13	32.7 Å²	32.7	9%	0.091	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	148.2	176.8	49.9	0	0	0	0	112.5	A233 D234 I235 A536	S190-A233 VanDerWaalsContact OG-CA 3.28Å; S190-A233 WeakPolarHBondContact OG-CA 3.48Å; S190-D234 PolarHBondContact N-OD2 2.84Å; S190-D234 PolarHBondContact O-N 3.13Å; S190-D234 VanDerWaalsContact O-N 3.09Å; S190-D234 PolarHBondContact OG-N 2.81Å; S190-D234 PolarHBondContact OG-OD2 2.89Å; S190-I235 PolarHBondContact O-N 3.06Å; S190-A536 CarbonylContact C-O 3.58Å; S190-A536 VanDerWaalsContact CA-O 3.32Å; S190-A536 WeakPolarHBondContact CA-O 3.39Å
191	V	98.8	Very high	93.6	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	128	-179.2	-175	0	0	0	0	109.2	F189 I235 V408 C410 I493 F535 A536 L538	F189-V191 HydrophobicContact CD2-CG2 3.79Å; F189-V191 HydrophobicContact CE2-CG2 3.58Å; V191-I235 CarbonylContact C-O 3.56Å; V191-I235 WeakPolarHBondContact CA-O 3.34Å; V191-I235 HydrophobicContact CG1-CG2 4.33Å; V191-I235 HydrophobicContact CG2-CB 4.38Å; V191-I235 HydrophobicContact CG2-CD1 4.48Å; V191-V408 HydrophobicContact CG1-CG1 3.96Å; V191-V408 HydrophobicContact CG2-CG1 4.15Å; V191-C410 VanDerWaalsContact CG1-SG 3.58Å; V191-I493 HydrophobicContact CG1-CD1 4.45Å; V191-I493 HydrophobicContact CG1-CG2 4.4Å; V191-F535 WeakPolarHBondContact O-CA 3.28Å; V191-A536 PolarHBondContact N-O 3.39Å; V191-A536 PolarHBondContact O-N 2.77Å; V191-L538 HydrophobicContact CG2-CD1 3.83Å; V191-L538 HydrophobicContact CG2-CG 4.35Å
192	M	98.8	Very high	94.1	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	138.8	171.3	-178.4	-177.9	-174	0	0	110.4	Y194 E227 I228 C231 A233 I235 V236 S237 L534 F535	M192-Y194 HydrophobicContact CE-CD1 3.64Å; M192-Y194 HydrophobicContact CE-CE1 4.46Å; M192-Y194 HydrophobicContact CE-CG 3.98Å; M192-E227 HydrophobicContact CE-CG 4.07Å; M192-I228 HydrophobicContact CE-CB 4.4Å; M192-I228 HydrophobicContact CE-CG1 3.79Å; M192-I228 HydrophobicContact SD-CB 4.35Å; M192-I228 HydrophobicContact SD-CG1 4.14Å; M192-I228 HydrophobicContact SD-CG2 4.33Å; M192-C231 HydrophobicContact SD-CB 4.27Å; M192-A233 HydrophobicContact CB-CB 3.63Å; M192-I235 PolarHBondContact N-O 2.86Å; M192-V236 HydrophobicContact CB-CG1 4.34Å; M192-V236 HydrophobicContact CB-CG2 4.35Å; M192-V236 HydrophobicContact CG-CG1 4.4Å; M192-V236 HydrophobicContact SD-CG1 4.01Å; M192-V236 HydrophobicContact SD-CG2 4.5Å; M192-S237 PolarHBondContact O-N 3.41Å; M192-L534 CarbonylContact C-O 3.51Å; M192-L534 VanDerWaalsContact CA-O 3.22Å; M192-L534 WeakPolarHBondContact CA-O 3.46Å; M192-F535 HydrophobicContact CB-CD2 4.33Å
193	C	98.8	Very high	94.6	Very high	1 Å²	1	25.9 Å²	25.9	1%	0.007	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	125.6	169	-177.7	0	0	0	0	108.8	S237 Q239 C410 I493 L534	C193-S237 WeakPolarHBondContact CA-O 3.49Å; C193-Q239 PolarHBondContact SG-NE2 2.89Å; C193-Q239 VanDerWaalsContact SG-NE2 3.36Å; C193-C410 HydrophobicContact CB-CB 3.95Å; C193-I493 HydrophobicContact CB-CD1 4.01Å; C193-I493 HydrophobicContact CB-CG1 3.67Å; C193-L534 HydrophobicContact CB-CB 4.22Å; C193-L534 PolarHBondContact N-O 3.1Å; C193-L534 PolarHBondContact O-N 3.35Å
194	Y	98.8	Very high	94.9	Very high	7 Å²	7	23 Å²	23	3%	0.027	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	117.4	-173.8	-173.1	-149.3	0	0	0	113.6	M192 V196 I224 E227 I228 S237 L238 Q239 S529 H531	M192-Y194 HydrophobicContact CE-CD1 3.64Å; M192-Y194 HydrophobicContact CE-CE1 4.46Å; M192-Y194 HydrophobicContact CE-CG 3.98Å; Y194-V196 HydrophobicContact CD1-CG1 3.8Å; Y194-V196 HydrophobicContact CE1-CG1 4.03Å; Y194-V196 HydrophobicContact CG-CG1 4.34Å; Y194-I224 HydrophobicContact CE1-CG2 4.17Å; Y194-E227 HydrophobicContact CE1-CG 4.19Å; Y194-I228 HydrophobicContact CD1-CG1 4.37Å; Y194-S237 PolarHBondContact N-O 3.42Å; Y194-L238 HydrophobicContact CD1-CD2 4.38Å; Y194-L238 VanDerWaalsContact O-CA 3.3Å; Y194-L238 WeakPolarHBondContact O-CA 3.26Å; Y194-Q239 PolarHBondContact O-N 2.92Å; Y194-Q239 VanDerWaalsContact O-N 3.13Å; Y194-Q239 PolarHBondContact O-OE1 2.85Å; Y194-S529 WeakPolarHBondContact OH-CB 3.4Å; Y194-H531 WeakPolarHBondContact CE2-O 3.49Å
195	N	98.8	Very high	95.4	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.005	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	118.3	165.7	-176.2	-21.4	0	0	0	108.9	L197 Q239 E240 D412 S529 H531	N195-L197 PolarHBondContact OD1-N 3.2Å; N195-L197 VanDerWaalsContact OD1-N 3.09Å; N195-Q239 HydrophobicContact CB-CB 4.13Å; N195-Q239 VanDerWaalsContact N-OE1 3.08Å; N195-E240 PolarHBondContact ND2-OE1 3.36Å; N195-E240 VanDerWaalsContact ND2-OE1 3.15Å; N195-E240 WeakPolarHBondContact OD1-CB 3.47Å; N195-E240 VanDerWaalsContact OD1-CD 3.23Å; N195-E240 WeakPolarHBondContact OD1-CG 3.32Å; N195-D412 PolarHBondContact ND2-OD2 3.41Å; N195-S529 PolarHBondContact O-OG 3.25Å; N195-H531 HydrophobicContact CB-CB 4.09Å
196	V	98.4	Very high	95.8	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	16%	0.164	C	C	.	.			trans	-90.7	-1.3	-171	-58.2	0	0	0	0	114.4	Y194 R220 I224 L238 Q239 E240 V241 F250	Y194-V196 HydrophobicContact CD1-CG1 3.8Å; Y194-V196 HydrophobicContact CE1-CG1 4.03Å; Y194-V196 HydrophobicContact CG-CG1 4.34Å; V196-R220 PolarHBondContact O-NH1 2.9Å; V196-I224 HydrophobicContact CB-CD1 4.26Å; V196-I224 HydrophobicContact CB-CG2 4.03Å; V196-I224 HydrophobicContact CG1-CG2 3.75Å; V196-I224 WeakPolarHBondContact O-CD1 3.39Å; V196-L238 HydrophobicContact CG1-CD1 4.37Å; V196-L238 HydrophobicContact CG1-CD2 4.1Å; V196-Q239 WeakPolarHBondContact CG2-O 3.1Å; V196-Q239 PolarHBondContact N-O 3.15Å; V196-E240 WeakPolarHBondContact CG2-O 3.34Å; V196-V241 HydrophobicContact CG2-CG2 4.45Å; V196-F250 HydrophobicContact CG2-CZ 4.26Å
197	L	98.3	Very high	96.1	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.166	C	C	.	.			trans	55.7	97.9	-172.8	179.8	60.7	0	0	0	112.6	N195 A202 Y207 R220 E240 P523	N195-L197 PolarHBondContact OD1-N 3.2Å; N195-L197 VanDerWaalsContact OD1-N 3.09Å; L197-A202 HydrophobicContact CD2-CB 4.18Å; L197-A202 HydrophobicContact CG-CB 4.19Å; L197-Y207 HydrophobicContact CD1-CE2 3.94Å; L197-Y207 VanDerWaalsContact CD1-OH 3.24Å; L197-Y207 WeakPolarHBondContact CD1-OH 3.49Å; L197-Y207 HydrophobicContact CD2-CD2 4.5Å; L197-Y207 HydrophobicContact CD2-CE1 4.47Å; L197-Y207 HydrophobicContact CD2-CE2 3.83Å; L197-Y207 HydrophobicContact CG-CE2 4.49Å; L197-R220 PolarHBondContact O-NH1 3.4Å; L197-R220 PolarHBondContact O-NH2 3.17Å; L197-E240 WeakPolarHBondContact CA-OE2 3.45Å; L197-P523 HydrophobicContact CD2-CB 4.42Å; L197-P523 HydrophobicContact CD2-CG 3.8Å
198	C	96.4	Very high	96.1	Very high	2 Å²	2	34.9 Å²	34.9	1%	0.014	17%	0.171	C	C	.	.			trans	-63.4	155.4	179.8	65.5	0	0	0	0	112.2	K200 Y201 A202 E240 E242 D281	C198-K200 PolarHBondContact O-N 2.91Å; C198-Y201 PolarHBondContact O-N 3.5Å; C198-Y201 VanDerWaalsContact O-N 3.16Å; C198-Y201 WeakPolarHBondContact SG-CD2 3.23Å; C198-Y201 VanDerWaalsContact SG-CE2 3.59Å; C198-A202 PolarHBondContact O-N 3.18Å; C198-E240 HydrophobicContact CB-CB 4.06Å; C198-E240 WeakPolarHBondContact CB-O 3.47Å; C198-E240 PolarHBondContact N-OE2 2.97Å; C198-E240 PolarHBondContact SG-OE2 2.85Å; C198-E240 VanDerWaalsContact SG-OE2 3.42Å; C198-E242 HydrophobicContact CB-CG 3.75Å; C198-D281 HydrophobicContact CB-CB 4.09Å
199	D	96.1	Very high	96	Very high	67 Å²	67	34.8 Å²	34.8	36%	0.358	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-36	-176.7	-169.4	54.2	0	0	0	111.5	Y201 A202 W217 E242	D199-Y201 PolarHBondContact O-N 3.02Å; D199-Y201 VanDerWaalsContact O-N 3.17Å; D199-A202 PolarHBondContact O-N 3.13Å; D199-W217 HydrophobicContact CB-CB 4.02Å; D199-W217 HydrophobicContact CB-CG 4.4Å; D199-W217 WeakPolarHBondContact OD1-CB 3.4Å; D199-W217 PolarHBondContact OD1-N 3.48Å; D199-E242 WeakPolarHBondContact CB-OE1 3.39Å; D199-E242 PolarHBondContact N-OE1 3.34Å
200	K	94.3	Very high	95.8	Very high	109 Å²	109	34.7 Å²	34.7	47%	0.474	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-35.8	175.9	-173.6	174.1	-177.3	174.8	0	114	C198 E242	C198-K200 PolarHBondContact O-N 2.91Å; K200-E242 PolarHBondContact N-OE1 3.08Å
201	Y	95.1	Very high	95.6	Very high	75 Å²	75	34.6 Å²	34.6	29%	0.294	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.4	-18.3	-178.2	-59.9	-35.8	0	0	0	113.1	C198 D199 T203 Y207 E240 K266	C198-Y201 PolarHBondContact O-N 3.5Å; C198-Y201 VanDerWaalsContact O-N 3.16Å; C198-Y201 WeakPolarHBondContact SG-CD2 3.23Å; C198-Y201 VanDerWaalsContact SG-CE2 3.59Å; D199-Y201 PolarHBondContact O-N 3.02Å; D199-Y201 VanDerWaalsContact O-N 3.17Å; Y201-T203 PolarHBondContact O-N 3.31Å; Y201-Y207 WeakPolarHBondContact O-CE2 3.26Å; Y201-E240 WeakPolarHBondContact CD2-OE2 3.35Å; Y201-K266 PolarHBondContact OH-NZ 3.31Å
202	A	96.9	Very high	95.3	Very high	10 Å²	10	36.8 Å²	36.8	8%	0.083	18%	0.183	C	C	.	.			trans	-71.4	59.4	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 3.18Å; D199-A202 PolarHBondContact O-N 3.13Å; A202-L215 HydrophobicContact CB-CD2 4.4Å; A202-R220 VanDerWaalsContact CB-NH2 3.34Å
203	T	95.3	Very high	95.1	Very high	54 Å²	54	40.7 Å²	40.7	33%	0.331	20%	0.198	S	C	.	.			trans	-102.1	155	-175.2	71.3	0	0	0	0	112.6	Y201 Q205 L206 Y207	Y201-T203 PolarHBondContact O-N 3.31Å; T203-Q205 PolarHBondContact O-N 3.09Å; T203-L206 PolarHBondContact O-N 3.15Å; T203-Y207 WeakPolarHBondContact O-CD2 3.33Å; T203-Y207 PolarHBondContact O-N 3.14Å
204	R	90.4	Very high	94.8	Very high	50 Å²	50	40.7 Å²	40.7	19%	0.189	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-18.2	173.2	-70.4	-67.1	-68.4	-131.3	-6.4	114	N151 D155 G208 C210 P211 S212 L215	N151-R204 VanDerWaalsContact CG-NH2 3.35Å; N151-R204 PolarHBondContact OD1-NH2 3.12Å; D155-R204 IonicContact OD1-NH1 3.52Å; D155-R204 PolarHBondContact OD1-NH1 3.49Å; R204-G208 WeakPolarHBondContact O-CA 3.35Å; R204-G208 PolarHBondContact O-N 3Å; R204-G208 VanDerWaalsContact O-N 3.15Å; R204-C210 WeakPolarHBondContact CD-O 3.44Å; R204-C210 PolarHBondContact NH1-O 3.33Å; R204-P211 VanDerWaalsContact NH1-CA 3.28Å; R204-S212 PolarHBondContact NH1-OG 3.07Å; R204-L215 HydrophobicContact CG-CD1 4.1Å
205	Q	90.9	Very high	94.7	Very high	185 Å²	185	40.7 Å²	40.7	86%	0.864	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.3	-39.6	176.3	-175	173.3	0.9	0	0	111.2	T203	T203-Q205 PolarHBondContact O-N 3.09Å
206	L	92.9	Very high	94.6	Very high	100 Å²	100	44.3 Å²	44.3	52%	0.524	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-38	177.4	-65.7	176.5	0	0	0	111.9	T203	T203-L206 PolarHBondContact O-N 3.15Å
207	Y	95.8	Very high	94.6	Very high	16 Å²	16	45.3 Å²	45.3	6%	0.063	22%	0.222	C	C	.	.			trans	-118.4	49.4	-172.8	-52.1	-72.2	0	0	0	111.5	L197 Y201 T203 Y209 C210 L215 T483 P523 D530	L197-Y207 HydrophobicContact CD1-CE2 3.94Å; L197-Y207 VanDerWaalsContact CD1-OH 3.24Å; L197-Y207 WeakPolarHBondContact CD1-OH 3.49Å; L197-Y207 HydrophobicContact CD2-CD2 4.5Å; L197-Y207 HydrophobicContact CD2-CE1 4.47Å; L197-Y207 HydrophobicContact CD2-CE2 3.83Å; L197-Y207 HydrophobicContact CG-CE2 4.49Å; Y201-Y207 WeakPolarHBondContact O-CE2 3.26Å; T203-Y207 WeakPolarHBondContact O-CD2 3.33Å; T203-Y207 PolarHBondContact O-N 3.14Å; Y207-Y209 HydrophobicContact CD1-CE2 4.45Å; Y207-Y209 AromaticContact CD1-CZ 3.97Å; Y207-Y209 WeakPolarHBondContact CD1-OH 3.27Å; Y207-Y209 PolarHBondContact O-N 2.79Å; Y207-Y209 VanDerWaalsContact O-N 3.11Å; Y207-C210 WeakPolarHBondContact O-CB 3.29Å; Y207-C210 PolarHBondContact O-N 2.92Å; Y207-L215 HydrophobicContact CD2-CD2 4.25Å; Y207-L215 HydrophobicContact CG-CD2 4.27Å; Y207-T483 HydrophobicContact CE1-CG2 4.16Å; Y207-P523 HydrophobicContact CD1-CG 4.28Å; Y207-P523 HydrophobicContact CG-CG 4.24Å; Y207-D530 HydrophobicContact CE1-CB 3.81Å; Y207-D530 VanDerWaalsContact OH-CG 3.24Å; Y207-D530 PolarHBondContact OH-OD2 2.82Å
208	G	92.4	Very high	94.5	Very high	11 Å²	11	49.5 Å²	49.5	11%	0.113	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-22.4	-175.5	0	0	0	0	0	114.6	F120 L154 R204 C210	F120-G208 WeakPolarHBondContact CB-O 3.33Å; L154-G208 WeakPolarHBondContact CD2-O 3.33Å; R204-G208 WeakPolarHBondContact O-CA 3.35Å; R204-G208 PolarHBondContact O-N 3Å; R204-G208 VanDerWaalsContact O-N 3.15Å; G208-C210 VanDerWaalsContact C-N 3.3Å
209	Y	91.9	Very high	94.4	Very high	27 Å²	27	53.6 Å²	53.6	11%	0.106	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-11.6	173.8	46.6	-93.3	0	0	0	114.2	F120 Y207 T483 F484 C522	F120-Y209 HydrophobicContact CD1-CD1 4.36Å; F120-Y209 HydrophobicContact CD1-CG 4.49Å; F120-Y209 HydrophobicContact CD2-CD1 4.32Å; F120-Y209 HydrophobicContact CE1-CD1 4.05Å; F120-Y209 HydrophobicContact CE1-CG 4.36Å; F120-Y209 AromaticContact CE2-CD1 3.96Å; F120-Y209 HydrophobicContact CE2-CD1 3.96Å; F120-Y209 AromaticContact CZ-CD1 3.85Å; F120-Y209 HydrophobicContact CZ-CD1 3.85Å; Y207-Y209 HydrophobicContact CD1-CE2 4.45Å; Y207-Y209 AromaticContact CD1-CZ 3.97Å; Y207-Y209 WeakPolarHBondContact CD1-OH 3.27Å; Y207-Y209 PolarHBondContact O-N 2.79Å; Y207-Y209 VanDerWaalsContact O-N 3.11Å; Y209-T483 WeakPolarHBondContact OH-CA 3.24Å; Y209-F484 HydrophobicContact CD1-CB 3.86Å; Y209-F484 HydrophobicContact CE1-CB 3.47Å; Y209-F484 VanDerWaalsContact CE1-CB 3.47Å; Y209-F484 PolarHBondContact OH-N 2.95Å; Y209-C522 PolarHBondContact OH-O 2.92Å
210	C	94.1	Very high	94.5	Very high	1 Å²	1	50.4 Å²	50.4	1%	0.007	24%	0.243	C	C	.	.	S	Bend	trans	-101.8	127.6	-177.7	-168.1	0	0	0	0	111.2	R204 Y207 G208 L215 P523	R204-C210 WeakPolarHBondContact CD-O 3.44Å; R204-C210 PolarHBondContact NH1-O 3.33Å; Y207-C210 WeakPolarHBondContact O-CB 3.29Å; Y207-C210 PolarHBondContact O-N 2.92Å; G208-C210 VanDerWaalsContact C-N 3.3Å; C210-L215 HydrophobicContact CB-CD1 4.27Å; C210-L215 HydrophobicContact CB-CD2 3.88Å; C210-L215 HydrophobicContact CB-CG 3.9Å; C210-P523 WeakPolarHBondContact CB-O 3.42Å; C210-P523 PolarHBondContact SG-O 3.21Å
211	P	93.6	Very high	94.6	Very high	10 Å²	10	47.4 Å²	47.4	7%	0.065	23%	0.23	C	C	.	.			trans	-53.3	144.3	175.6	-24.8	32.4	0	0	0	113.2	L154 D155 R204 W213 A214 L215 P525	L154-P211 HydrophobicContact CD1-CG 4.21Å; L154-P211 HydrophobicContact CG-CB 4.46Å; L154-P211 HydrophobicContact CG-CG 4.03Å; D155-P211 WeakPolarHBondContact OD1-CA 3.4Å; R204-P211 VanDerWaalsContact NH1-CA 3.28Å; P211-W213 VanDerWaalsContact C-N 3.27Å; P211-W213 HydrophobicContact CB-CD2 4.21Å; P211-W213 HydrophobicContact CB-CG 4.25Å; P211-W213 HydrophobicContact CB-CZ2 4.15Å; P211-W213 VanDerWaalsContact CB-NE1 3.28Å; P211-W213 HydrophobicContact CG-CZ2 4.21Å; P211-W213 PolarHBondContact O-N 3.39Å; P211-A214 HydrophobicContact CB-CB 4.24Å; P211-A214 WeakPolarHBondContact O-CA 3.14Å; P211-A214 WeakPolarHBondContact O-CB 3.33Å; P211-A214 PolarHBondContact O-N 3.42Å; P211-L215 PolarHBondContact O-N 3.48Å; P211-P525 HydrophobicContact CG-CG 4.12Å
212	S	94.1	Very high	94.6	Very high	46 Å²	46	50.5 Å²	50.5	32%	0.322	25%	0.245	S	C	.	.	H	α-helix	trans	-61.3	-37.6	-175.2	-48.8	0	0	0	0	112	D155 R204 A214 L215 N216	D155-S212 PolarHBondContact OD1-N 2.79Å; D155-S212 PolarHBondContact OD1-OG 3.24Å; D155-S212 VanDerWaalsContact OD2-CB 3.24Å; D155-S212 WeakPolarHBondContact OD2-CB 3.2Å; D155-S212 PolarHBondContact OD2-OG 2.86Å; R204-S212 PolarHBondContact NH1-OG 3.07Å; S212-A214 VanDerWaalsContact C-N 3.27Å; S212-A214 PolarHBondContact O-N 3.03Å; S212-L215 PolarHBondContact O-N 3.07Å; S212-N216 PolarHBondContact O-N 3.28Å; S212-N216 VanDerWaalsContact O-N 3.08Å
213	W	93.9	Very high	94.6	Very high	82 Å²	82	51.8 Å²	51.8	31%	0.311	26%	0.255	S	S	.	.	H	α-helix	trans	-67	-28.4	176.1	60.8	-100.7	0	0	0	112.9	D155 P211 Y219 P525	D155-W213 PolarHBondContact O-NE1 2.85Å; D155-W213 VanDerWaalsContact O-NE1 3.16Å; P211-W213 VanDerWaalsContact C-N 3.27Å; P211-W213 HydrophobicContact CB-CD2 4.21Å; P211-W213 HydrophobicContact CB-CG 4.25Å; P211-W213 HydrophobicContact CB-CZ2 4.15Å; P211-W213 VanDerWaalsContact CB-NE1 3.28Å; P211-W213 HydrophobicContact CG-CZ2 4.21Å; P211-W213 PolarHBondContact O-N 3.39Å; W213-Y219 HydrophobicContact CE3-CD2 4.14Å; W213-Y219 HydrophobicContact CE3-CE1 4.43Å; W213-Y219 AromaticContact CE3-CE2 3.97Å; W213-Y219 HydrophobicContact CE3-CE2 3.97Å; W213-Y219 HydrophobicContact CE3-CG 4.45Å; W213-Y219 HydrophobicContact CZ3-CD2 4.31Å; W213-Y219 HydrophobicContact CZ3-CE1 4.03Å; W213-Y219 AromaticContact CZ3-CE2 3.68Å; W213-Y219 HydrophobicContact CZ3-CE2 3.68Å; W213-Y219 AromaticContact CZ3-CZ 3.54Å; W213-Y219 VanDerWaalsContact O-CB 3.23Å; W213-Y219 WeakPolarHBondContact O-CB 3.34Å; W213-P525 HydrophobicContact CH2-CB 3.59Å; W213-P525 HydrophobicContact CH2-CG 3.7Å; W213-P525 HydrophobicContact CZ2-CB 4.39Å; W213-P525 HydrophobicContact CZ2-CG 4.02Å; W213-P525 HydrophobicContact CZ3-CB 4.11Å; W213-P525 HydrophobicContact CZ3-CG 4.39Å
214	A	93.1	Very high	94.7	Very high	1 Å²	1	49.2 Å²	49.2	1%	0.008	24%	0.24	C	C	.	.	H	α-helix	trans	-82.4	-26.8	177.4	0	0	0	0	0	112	P211 S212 Y219 R220 P525	P211-A214 HydrophobicContact CB-CB 4.24Å; P211-A214 WeakPolarHBondContact O-CA 3.14Å; P211-A214 WeakPolarHBondContact O-CB 3.33Å; P211-A214 PolarHBondContact O-N 3.42Å; S212-A214 VanDerWaalsContact C-N 3.27Å; S212-A214 PolarHBondContact O-N 3.03Å; A214-Y219 HydrophobicContact CB-CD1 4.47Å; A214-Y219 HydrophobicContact CB-CE1 4.39Å; A214-R220 WeakPolarHBondContact O-CD 3.36Å; A214-R220 WeakPolarHBondContact O-CG 3.32Å; A214-P525 HydrophobicContact CB-CB 4.31Å; A214-P525 HydrophobicContact CB-CG 3.85Å
215	L	95.8	Very high	95	Very high	7 Å²	7	47.2 Å²	47.2	4%	0.037	23%	0.232	C	C	.	.	H	α-helix	trans	-75.7	-27.3	171.6	-72.5	175.4	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 4.1Å; Y207-L215 HydrophobicContact CD2-CD2 4.25Å; Y207-L215 HydrophobicContact CG-CD2 4.27Å; C210-L215 HydrophobicContact CB-CD1 4.27Å; C210-L215 HydrophobicContact CB-CD2 3.88Å; C210-L215 HydrophobicContact CB-CG 3.9Å; P211-L215 PolarHBondContact O-N 3.48Å; S212-L215 PolarHBondContact O-N 3.07Å; L215-W217 PolarHBondContact O-N 3.46Å; L215-R220 WeakPolarHBondContact O-CD 3.48Å; L215-R220 PolarHBondContact O-NE 3.23Å; L215-P523 HydrophobicContact CD2-CG 3.46Å; L215-P523 VanDerWaalsContact CD2-CG 3.46Å
216	N	96.8	Very high	95.3	Very high	78 Å²	78	44.4 Å²	44.4	42%	0.417	22%	0.219	S	C	.	.	S	Bend	trans	-55.5	131.4	-178.4	-179.4	-83.9	0	0	0	112.1	S212 D218 Y219 R220	S212-N216 PolarHBondContact O-N 3.28Å; S212-N216 VanDerWaalsContact O-N 3.08Å; N216-D218 VanDerWaalsContact C-N 3.33Å; N216-D218 PolarHBondContact O-N 2.54Å; N216-D218 WeakPolarHBondContact OD1-CB 3.27Å; N216-D218 PolarHBondContact OD1-N 2.88Å; N216-Y219 WeakPolarHBondContact O-CB 3.43Å; N216-Y219 PolarHBondContact O-N 2.89Å; N216-R220 PolarHBondContact O-N 3.28Å
217	W	97.5	Very high	95.4	Very high	21 Å²	21	42.1 Å²	42.1	8%	0.08	21%	0.206	C	C	.	.	H	α-helix	trans	-54.5	-41.6	-179	179.3	-117.3	0	0	0	114.5	D199 L215 Y219 R220 K221 I224 Q245 F249 F250	D199-W217 HydrophobicContact CB-CB 4.02Å; D199-W217 HydrophobicContact CB-CG 4.4Å; D199-W217 WeakPolarHBondContact OD1-CB 3.4Å; D199-W217 PolarHBondContact OD1-N 3.48Å; L215-W217 PolarHBondContact O-N 3.46Å; W217-Y219 PolarHBondContact O-N 3.13Å; W217-R220 PolarHBondContact O-N 3.29Å; W217-K221 HydrophobicContact CD2-CB 3.98Å; W217-K221 HydrophobicContact CE3-CB 4.32Å; W217-K221 HydrophobicContact CG-CD 4.44Å; W217-K221 HydrophobicContact CH2-CB 4.07Å; W217-K221 HydrophobicContact CZ2-CB 3.69Å; W217-K221 HydrophobicContact CZ3-CB 4.37Å; W217-K221 VanDerWaalsContact O-CB 3.24Å; W217-K221 WeakPolarHBondContact O-CB 3.39Å; W217-K221 VanDerWaalsContact O-CG 3.27Å; W217-K221 WeakPolarHBondContact O-CG 3.45Å; W217-K221 PolarHBondContact O-N 3.48Å; W217-I224 HydrophobicContact CH2-CD1 4.15Å; W217-I224 HydrophobicContact CZ3-CD1 3.67Å; W217-Q245 HydrophobicContact CZ2-CB 3.97Å; W217-Q245 HydrophobicContact CZ2-CG 3.76Å; W217-F249 HydrophobicContact CZ2-CD1 4.37Å; W217-F250 AromaticContact CH2-CE2 3.93Å; W217-F250 HydrophobicContact CH2-CE2 3.93Å; W217-F250 AromaticContact CH2-CZ 3.87Å; W217-F250 HydrophobicContact CH2-CZ 3.87Å; W217-F250 HydrophobicContact CZ2-CE2 4.08Å; W217-F250 HydrophobicContact CZ2-CZ 4.34Å
218	D	96.8	Very high	95.5	Very high	88 Å²	88	41.4 Å²	41.4	47%	0.471	20%	0.203	S	C	.	.	H	α-helix	trans	-65	-25	-179	-69.6	-44.2	0	0	0	112.9	N216 K221 K222	N216-D218 VanDerWaalsContact C-N 3.33Å; N216-D218 PolarHBondContact O-N 2.54Å; N216-D218 WeakPolarHBondContact OD1-CB 3.27Å; N216-D218 PolarHBondContact OD1-N 2.88Å; D218-K221 WeakPolarHBondContact OD1-CE 3.39Å; D218-K221 IonicContact OD1-NZ 3.75Å; D218-K221 PolarHBondContact OD1-NZ 3.24Å; D218-K222 WeakPolarHBondContact O-CE 3.34Å
219	Y	95	Very high	95.7	Very high	88 Å²	88	42.4 Å²	42.4	35%	0.345	21%	0.206	S	C	.	.	H	α-helix	trans	-78.5	-56.1	170	-176.4	-90.7	0	0	0	110.9	W213 A214 N216 W217 K221 K222 P525	W213-Y219 HydrophobicContact CE3-CD2 4.14Å; W213-Y219 HydrophobicContact CE3-CE1 4.43Å; W213-Y219 AromaticContact CE3-CE2 3.97Å; W213-Y219 HydrophobicContact CE3-CE2 3.97Å; W213-Y219 HydrophobicContact CE3-CG 4.45Å; W213-Y219 HydrophobicContact CZ3-CD2 4.31Å; W213-Y219 HydrophobicContact CZ3-CE1 4.03Å; W213-Y219 AromaticContact CZ3-CE2 3.68Å; W213-Y219 HydrophobicContact CZ3-CE2 3.68Å; W213-Y219 AromaticContact CZ3-CZ 3.54Å; W213-Y219 VanDerWaalsContact O-CB 3.23Å; W213-Y219 WeakPolarHBondContact O-CB 3.34Å; A214-Y219 HydrophobicContact CB-CD1 4.47Å; A214-Y219 HydrophobicContact CB-CE1 4.39Å; N216-Y219 WeakPolarHBondContact O-CB 3.43Å; N216-Y219 PolarHBondContact O-N 2.89Å; W217-Y219 PolarHBondContact O-N 3.13Å; Y219-K221 PolarHBondContact O-N 2.79Å; Y219-K222 PolarHBondContact O-N 3.48Å; Y219-P525 WeakPolarHBondContact CE1-O 3.28Å; Y219-P525 PolarHBondContact OH-O 3.2Å
220	R	97.1	Very high	95.8	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-62.8	-42.6	-173.4	-65.4	-170	-57.6	108	-3.7	113.2	V196 L197 A202 A214 L215 N216 W217 K222 A223 I224 P528	V196-R220 PolarHBondContact O-NH1 2.9Å; L197-R220 PolarHBondContact O-NH1 3.4Å; L197-R220 PolarHBondContact O-NH2 3.17Å; A202-R220 VanDerWaalsContact CB-NH2 3.34Å; A214-R220 WeakPolarHBondContact O-CD 3.36Å; A214-R220 WeakPolarHBondContact O-CG 3.32Å; L215-R220 WeakPolarHBondContact O-CD 3.48Å; L215-R220 PolarHBondContact O-NE 3.23Å; N216-R220 PolarHBondContact O-N 3.28Å; W217-R220 PolarHBondContact O-N 3.29Å; R220-K222 PolarHBondContact O-N 3.36Å; R220-A223 PolarHBondContact O-N 3.43Å; R220-I224 HydrophobicContact CB-CD1 4.11Å; R220-I224 WeakPolarHBondContact O-CG1 3.16Å; R220-I224 PolarHBondContact O-N 2.72Å; R220-P528 HydrophobicContact CB-CB 4.14Å; R220-P528 WeakPolarHBondContact CD-O 3.3Å; R220-P528 HydrophobicContact CG-CB 4.45Å; R220-P528 PolarHBondContact NH1-O 3.02Å
221	K	97.3	Very high	95.8	Very high	45 Å²	45	46.1 Å²	46.1	20%	0.196	24%	0.236	C	C	.	.	H	α-helix	trans	-56.2	-31.6	-175.7	77.8	-171.3	-172.8	-171.4	0	112.9	W217 D218 Y219 I225 F249	W217-K221 HydrophobicContact CD2-CB 3.98Å; W217-K221 HydrophobicContact CE3-CB 4.32Å; W217-K221 HydrophobicContact CG-CD 4.44Å; W217-K221 HydrophobicContact CH2-CB 4.07Å; W217-K221 HydrophobicContact CZ2-CB 3.69Å; W217-K221 HydrophobicContact CZ3-CB 4.37Å; W217-K221 VanDerWaalsContact O-CB 3.24Å; W217-K221 WeakPolarHBondContact O-CB 3.39Å; W217-K221 VanDerWaalsContact O-CG 3.27Å; W217-K221 WeakPolarHBondContact O-CG 3.45Å; W217-K221 PolarHBondContact O-N 3.48Å; D218-K221 WeakPolarHBondContact OD1-CE 3.39Å; D218-K221 IonicContact OD1-NZ 3.75Å; D218-K221 PolarHBondContact OD1-NZ 3.24Å; Y219-K221 PolarHBondContact O-N 2.79Å; K221-I225 WeakPolarHBondContact O-CG2 3.23Å; K221-I225 PolarHBondContact O-N 3.09Å; K221-F249 HydrophobicContact CB-CD1 4.38Å; K221-F249 HydrophobicContact CB-CE1 3.72Å; K221-F249 HydrophobicContact CB-CZ 3.97Å; K221-F249 HydrophobicContact CD-CZ 4.48Å; K221-F249 HydrophobicContact CG-CE1 4.21Å; K221-F249 HydrophobicContact CG-CE2 4.46Å; K221-F249 HydrophobicContact CG-CZ 4.01Å; K221-F249 WeakPolarHBondContact O-CZ 3.22Å
222	K	95.9	Very high	95.9	Very high	140 Å²	140	49.9 Å²	49.9	61%	0.609	26%	0.255	S	S	*	.	H	α-helix	trans	-65.2	-45.7	176.1	-63.4	176.8	-176.4	173.5	0	111.5	D218 Y219 R220 I225 Q226	D218-K222 WeakPolarHBondContact O-CE 3.34Å; Y219-K222 PolarHBondContact O-N 3.48Å; R220-K222 PolarHBondContact O-N 3.36Å; K222-I225 WeakPolarHBondContact O-CG2 3.45Å; K222-Q226 WeakPolarHBondContact O-CG 3.16Å; K222-Q226 PolarHBondContact O-N 3.05Å
223	A	95	Very high	96.1	Very high	37 Å²	37	47.7 Å²	47.7	31%	0.306	24%	0.24	S	C	.	.	H	α-helix	trans	-73.6	-36.3	178	0	0	0	0	0	111.8	R220 I225 Q226 E227 P528	R220-A223 PolarHBondContact O-N 3.43Å; A223-I225 PolarHBondContact O-N 2.95Å; A223-Q226 PolarHBondContact O-N 2.8Å; A223-E227 PolarHBondContact O-N 2.96Å; A223-P528 HydrophobicContact CB-CB 3.77Å; A223-P528 HydrophobicContact CB-CG 3.69Å
224	I	98.3	Very high	96.3	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-58.3	-49.3	175.8	-67.5	164.7	0	0	0	110.7	Y194 V196 W217 R220 Q226 E227 I228 F250 P528	Y194-I224 HydrophobicContact CE1-CG2 4.17Å; V196-I224 HydrophobicContact CB-CD1 4.26Å; V196-I224 HydrophobicContact CB-CG2 4.03Å; V196-I224 HydrophobicContact CG1-CG2 3.75Å; V196-I224 WeakPolarHBondContact O-CD1 3.39Å; W217-I224 HydrophobicContact CH2-CD1 4.15Å; W217-I224 HydrophobicContact CZ3-CD1 3.67Å; R220-I224 HydrophobicContact CB-CD1 4.11Å; R220-I224 WeakPolarHBondContact O-CG1 3.16Å; R220-I224 PolarHBondContact O-N 2.72Å; I224-Q226 VanDerWaalsContact C-N 3.32Å; I224-Q226 PolarHBondContact O-N 3.16Å; I224-E227 WeakPolarHBondContact O-CB 3.35Å; I224-E227 PolarHBondContact O-N 3.06Å; I224-I228 HydrophobicContact CG2-CD1 4.01Å; I224-I228 WeakPolarHBondContact O-CG1 3.22Å; I224-I228 PolarHBondContact O-N 3.17Å; I224-I228 VanDerWaalsContact O-N 3.12Å; I224-F250 HydrophobicContact CG2-CE1 3.92Å; I224-F250 HydrophobicContact CG2-CZ 4.12Å; I224-P528 HydrophobicContact CD1-CB 4.48Å; I224-P528 HydrophobicContact CG1-CB 3.8Å; I224-P528 HydrophobicContact CG1-CG 3.79Å
225	I	97.7	Very high	96.6	Very high	8 Å²	8	44.1 Å²	44.1	4%	0.041	23%	0.227	C	C	.	.	H	α-helix	trans	-68.1	-34.7	179.9	-163.7	61.8	0	0	0	111.5	K221 K222 A223 E227 I228 L229 F249 E253 L254	K221-I225 WeakPolarHBondContact O-CG2 3.23Å; K221-I225 PolarHBondContact O-N 3.09Å; K222-I225 WeakPolarHBondContact O-CG2 3.45Å; A223-I225 PolarHBondContact O-N 2.95Å; I225-E227 VanDerWaalsContact C-N 3.35Å; I225-E227 PolarHBondContact O-N 3Å; I225-I228 HydrophobicContact CD1-CD1 4.41Å; I225-I228 PolarHBondContact O-N 3.44Å; I225-L229 HydrophobicContact CD1-CG 4.38Å; I225-L229 HydrophobicContact CG1-CD1 4Å; I225-L229 HydrophobicContact CG1-CG 4.13Å; I225-L229 WeakPolarHBondContact O-CB 3.35Å; I225-L229 WeakPolarHBondContact O-CG 3.47Å; I225-L229 PolarHBondContact O-N 2.89Å; I225-F249 HydrophobicContact CB-CE1 4.22Å; I225-F249 HydrophobicContact CB-CZ 3.79Å; I225-F249 HydrophobicContact CG1-CZ 4.34Å; I225-F249 HydrophobicContact CG2-CZ 3.82Å; I225-E253 HydrophobicContact CD1-CB 3.98Å; I225-E253 HydrophobicContact CG1-CB 4.06Å; I225-E253 HydrophobicContact CG1-CG 4.33Å; I225-L254 HydrophobicContact CD1-CD2 4.2Å; I225-L254 HydrophobicContact CD1-CG 4.3Å
226	Q	95.7	Very high	96.8	Very high	126 Å²	126	43.8 Å²	43.8	59%	0.589	23%	0.225	S	C	*	.	H	α-helix	trans	-63.6	-38.9	175	-70.7	-64	-30.7	0	0	112.3	K222 A223 I224 L229 S230	K222-Q226 WeakPolarHBondContact O-CG 3.16Å; K222-Q226 PolarHBondContact O-N 3.05Å; A223-Q226 PolarHBondContact O-N 2.8Å; I224-Q226 VanDerWaalsContact C-N 3.32Å; I224-Q226 PolarHBondContact O-N 3.16Å; Q226-L229 PolarHBondContact O-N 2.81Å; Q226-S230 WeakPolarHBondContact O-CB 3.36Å; Q226-S230 PolarHBondContact O-N 3.38Å; Q226-S230 PolarHBondContact O-OG 3.22Å
227	E	95.9	Very high	96.9	Very high	53 Å²	53	40 Å²	40	25%	0.248	21%	0.205	C	C	.	.	H	α-helix	trans	-61.3	-46.6	173	177.7	68.9	-177.2	0	0	111.6	R172 M192 Y194 A223 I224 I225 L229 S230 C231 S533	R172-E227 IonicContact NH1-OE1 3.82Å; M192-E227 HydrophobicContact CE-CG 4.07Å; Y194-E227 HydrophobicContact CE1-CG 4.19Å; A223-E227 PolarHBondContact O-N 2.96Å; I224-E227 WeakPolarHBondContact O-CB 3.35Å; I224-E227 PolarHBondContact O-N 3.06Å; I225-E227 VanDerWaalsContact C-N 3.35Å; I225-E227 PolarHBondContact O-N 3Å; E227-L229 PolarHBondContact O-N 3.09Å; E227-S230 PolarHBondContact O-OG 3.34Å; E227-C231 PolarHBondContact O-N 3.19Å; E227-C231 PolarHBondContact O-SG 3.2Å; E227-C231 VanDerWaalsContact O-SG 3.36Å; E227-S533 PolarHBondContact OE1-OG 3.24Å
228	I	97.8	Very high	96.9	Very high	1 Å²	1	39 Å²	39	1%	0.005	20%	0.201	C	C	.	.	H	α-helix	trans	-62.7	-45	178.8	-64.4	164.5	0	0	0	110.8	M192 Y194 I224 I225 N232 V236 L238 F250 L254	M192-I228 HydrophobicContact CE-CB 4.4Å; M192-I228 HydrophobicContact CE-CG1 3.79Å; M192-I228 HydrophobicContact SD-CB 4.35Å; M192-I228 HydrophobicContact SD-CG1 4.14Å; M192-I228 HydrophobicContact SD-CG2 4.33Å; Y194-I228 HydrophobicContact CD1-CG1 4.37Å; I224-I228 HydrophobicContact CG2-CD1 4.01Å; I224-I228 WeakPolarHBondContact O-CG1 3.22Å; I224-I228 PolarHBondContact O-N 3.17Å; I224-I228 VanDerWaalsContact O-N 3.12Å; I225-I228 HydrophobicContact CD1-CD1 4.41Å; I225-I228 PolarHBondContact O-N 3.44Å; I228-N232 PolarHBondContact O-N 3.16Å; I228-V236 HydrophobicContact CG2-CG1 4.15Å; I228-V236 HydrophobicContact CG2-CG2 4.24Å; I228-L238 HydrophobicContact CD1-CD1 3.89Å; I228-L238 HydrophobicContact CD1-CD2 4.11Å; I228-L238 HydrophobicContact CG1-CD2 4.48Å; I228-F250 HydrophobicContact CD1-CD1 4.27Å; I228-F250 HydrophobicContact CD1-CE1 3.93Å; I228-L254 HydrophobicContact CG2-CD2 3.86Å
229	L	96.5	Very high	97	Very high	32 Å²	32	34.9 Å²	34.9	17%	0.168	18%	0.179	C	C	.	.	H	α-helix	trans	-72.9	-33.3	-177.7	-67.8	-177.6	0	0	0	113.1	I225 Q226 E227 N232 L254 R257	I225-L229 HydrophobicContact CD1-CG 4.38Å; I225-L229 HydrophobicContact CG1-CD1 4Å; I225-L229 HydrophobicContact CG1-CG 4.13Å; I225-L229 WeakPolarHBondContact O-CB 3.35Å; I225-L229 WeakPolarHBondContact O-CG 3.47Å; I225-L229 PolarHBondContact O-N 2.89Å; Q226-L229 PolarHBondContact O-N 2.81Å; E227-L229 PolarHBondContact O-N 3.09Å; L229-N232 PolarHBondContact O-N 3.2Å; L229-L254 HydrophobicContact CD2-CD2 3.94Å; L229-R257 HydrophobicContact CD2-CB 4.43Å; L229-R257 HydrophobicContact CD2-CG 3.72Å
230	S	94.1	Very high	97.2	Very high	85 Å²	85	31.4 Å²	31.4	59%	0.594	17%	0.166	S	C	*	.	H	α-helix	trans	-68.7	-37.1	177.7	71	0	0	0	0	111.7	Q226 E227	Q226-S230 WeakPolarHBondContact O-CB 3.36Å; Q226-S230 PolarHBondContact O-N 3.38Å; Q226-S230 PolarHBondContact O-OG 3.22Å; E227-S230 PolarHBondContact O-OG 3.34Å
231	C	93.3	Very high	97.2	Very high	21 Å²	21	31.4 Å²	31.4	14%	0.142	17%	0.166	C	C	.	.	H	α-helix	trans	-67.2	-34.9	173.3	-72.1	0	0	0	0	112.4	M192 E227 A233 F535	M192-C231 HydrophobicContact SD-CB 4.27Å; E227-C231 PolarHBondContact O-N 3.19Å; E227-C231 PolarHBondContact O-SG 3.2Å; E227-C231 VanDerWaalsContact O-SG 3.36Å; C231-A233 PolarHBondContact O-N 2.96Å; C231-F535 HydrophobicContact CB-CD2 3.69Å; C231-F535 HydrophobicContact CB-CE2 3.83Å; C231-F535 WeakPolarHBondContact O-CE2 3.43Å
232	N	96.5	Very high	97.3	Very high	88 Å²	88	29.8 Å²	29.8	47%	0.471	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.7	39.6	179.3	-172.1	26.7	0	0	0	113.4	I228 L229 K288	I228-N232 PolarHBondContact O-N 3.16Å; L229-N232 PolarHBondContact O-N 3.2Å; N232-K288 PolarHBondContact O-NZ 2.86Å; N232-K288 VanDerWaalsContact O-NZ 3.13Å; N232-K288 VanDerWaalsContact OD1-CE 3.27Å; N232-K288 WeakPolarHBondContact OD1-CE 3.16Å; N232-K288 PolarHBondContact OD1-NZ 3.09Å
233	A	98.3	Very high	97.3	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.135	C	C	.	.			trans	-66	143.2	-175.2	0	0	0	0	0	112	S190 M192 C231 I235 V236 Y259 F535	S190-A233 VanDerWaalsContact OG-CA 3.28Å; S190-A233 WeakPolarHBondContact OG-CA 3.48Å; M192-A233 HydrophobicContact CB-CB 3.63Å; C231-A233 PolarHBondContact O-N 2.96Å; A233-I235 VanDerWaalsContact C-N 3.29Å; A233-I235 WeakPolarHBondContact CB-O 3.49Å; A233-I235 PolarHBondContact O-N 3.01Å; A233-V236 HydrophobicContact CB-CG2 4.01Å; A233-Y259 WeakPolarHBondContact O-CE1 3.23Å; A233-Y259 VanDerWaalsContact O-CZ 3.26Å; A233-Y259 PolarHBondContact O-OH 2.92Å; A233-F535 HydrophobicContact CB-CD2 3.92Å; A233-F535 HydrophobicContact CB-CE2 3.55Å
234	D	98.7	Very high	97.4	Very high	8 Å²	8	25.5 Å²	25.5	4%	0.043	14%	0.136	C	C	.	.	S	Bend	trans	-70.2	-29.7	178.7	-60.4	-49.2	0	0	0	112.8	F189 S190 F287 K288 K291 F292	F189-D234 WeakPolarHBondContact CA-OD2 3.23Å; F189-D234 HydrophobicContact CB-CB 4.11Å; S190-D234 PolarHBondContact N-OD2 2.84Å; S190-D234 PolarHBondContact O-N 3.13Å; S190-D234 VanDerWaalsContact O-N 3.09Å; S190-D234 PolarHBondContact OG-N 2.81Å; S190-D234 PolarHBondContact OG-OD2 2.89Å; D234-F287 CarbonylContact O-C 3.41Å; D234-F287 VanDerWaalsContact O-CA 3.31Å; D234-F287 WeakPolarHBondContact O-CA 2.86Å; D234-K288 PolarHBondContact O-N 2.9Å; D234-K288 WeakPolarHBondContact OD1-CD 3.33Å; D234-K288 IonicContact OD1-NZ 2.72Å; D234-K288 PolarHBondContact OD1-NZ 2.74Å; D234-K291 HydrophobicContact CB-CD 4.18Å; D234-K291 VanDerWaalsContact CG-NZ 3.26Å; D234-K291 WeakPolarHBondContact OD1-CE 3.37Å; D234-K291 IonicContact OD1-NZ 3.77Å; D234-K291 PolarHBondContact OD1-NZ 2.87Å; D234-K291 IonicContact OD2-NZ 3.75Å; D234-K291 PolarHBondContact OD2-NZ 2.76Å; D234-F292 HydrophobicContact CB-CE2 4.06Å
235	I	98.9	Very high	97.4	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	132.4	172.6	-66.7	160.2	0	0	0	108.5	F189 S190 V191 M192 A233 I285 F286 F287 F292 L332 V357	F189-I235 HydrophobicContact CD2-CD1 3.83Å; F189-I235 HydrophobicContact CE2-CD1 3.95Å; S190-I235 PolarHBondContact O-N 3.06Å; V191-I235 CarbonylContact C-O 3.56Å; V191-I235 WeakPolarHBondContact CA-O 3.34Å; V191-I235 HydrophobicContact CG1-CG2 4.33Å; V191-I235 HydrophobicContact CG2-CB 4.38Å; V191-I235 HydrophobicContact CG2-CD1 4.48Å; M192-I235 PolarHBondContact N-O 2.86Å; A233-I235 VanDerWaalsContact C-N 3.29Å; A233-I235 WeakPolarHBondContact CB-O 3.49Å; A233-I235 PolarHBondContact O-N 3.01Å; I235-I285 HydrophobicContact CG2-CG2 4.27Å; I235-F286 CarbonylContact C-O 3.54Å; I235-F286 WeakPolarHBondContact CA-O 3.46Å; I235-F287 HydrophobicContact CG1-CB 4.29Å; I235-F292 HydrophobicContact CD1-CE1 4.41Å; I235-F292 HydrophobicContact CD1-CE2 3.9Å; I235-F292 HydrophobicContact CD1-CZ 3.81Å; I235-F292 HydrophobicContact CG1-CD2 4.28Å; I235-F292 HydrophobicContact CG1-CE2 3.85Å; I235-F292 HydrophobicContact CG1-CZ 4.29Å; I235-L332 HydrophobicContact CD1-CD1 4.35Å; I235-L332 HydrophobicContact CG1-CD1 4.46Å; I235-V357 HydrophobicContact CD1-CG2 3.78Å; I235-V357 HydrophobicContact CG2-CG1 3.8Å; I235-V357 HydrophobicContact CG2-CG2 4.28Å
236	V	98.9	Very high	97.5	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	116.4	178	-176.7	0	0	0	0	109.3	M192 I228 A233 L238 Y259 I285 F286	M192-V236 HydrophobicContact CB-CG1 4.34Å; M192-V236 HydrophobicContact CB-CG2 4.35Å; M192-V236 HydrophobicContact CG-CG1 4.4Å; M192-V236 HydrophobicContact SD-CG1 4.01Å; M192-V236 HydrophobicContact SD-CG2 4.5Å; I228-V236 HydrophobicContact CG2-CG1 4.15Å; I228-V236 HydrophobicContact CG2-CG2 4.24Å; A233-V236 HydrophobicContact CB-CG2 4.01Å; V236-L238 HydrophobicContact CG1-CD2 3.55Å; V236-L238 HydrophobicContact CG1-CG 3.87Å; V236-Y259 HydrophobicContact CG2-CE1 4.09Å; V236-I285 CarbonylContact O-C 3.57Å; V236-I285 WeakPolarHBondContact O-CA 3.06Å; V236-F286 HydrophobicContact CB-CB 4.24Å; V236-F286 PolarHBondContact N-O 2.85Å; V236-F286 PolarHBondContact O-N 2.86Å
237	S	98.9	Very high	97.6	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	116.2	174.3	-68.8	0	0	0	0	109.5	M192 C193 Y194 A284 C410	M192-S237 PolarHBondContact O-N 3.41Å; C193-S237 WeakPolarHBondContact CA-O 3.49Å; Y194-S237 PolarHBondContact N-O 3.42Å; S237-A284 WeakPolarHBondContact CA-O 3.24Å; S237-C410 WeakPolarHBondContact OG-CB 3.44Å; S237-C410 PolarHBondContact OG-SG 2.73Å; S237-C410 VanDerWaalsContact OG-SG 3.4Å
238	L	98.9	Very high	97.6	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	140.8	179.8	-56.3	-176.3	0	0	0	111.5	Y194 V196 I228 V236 V241 F250 C283 A284 F286 N359	Y194-L238 HydrophobicContact CD1-CD2 4.38Å; Y194-L238 VanDerWaalsContact O-CA 3.3Å; Y194-L238 WeakPolarHBondContact O-CA 3.26Å; V196-L238 HydrophobicContact CG1-CD1 4.37Å; V196-L238 HydrophobicContact CG1-CD2 4.1Å; I228-L238 HydrophobicContact CD1-CD1 3.89Å; I228-L238 HydrophobicContact CD1-CD2 4.11Å; I228-L238 HydrophobicContact CG1-CD2 4.48Å; V236-L238 HydrophobicContact CG1-CD2 3.55Å; V236-L238 HydrophobicContact CG1-CG 3.87Å; L238-V241 HydrophobicContact CB-CG2 3.43Å; L238-V241 VanDerWaalsContact CB-CG2 3.43Å; L238-V241 HydrophobicContact CD1-CG2 4.09Å; L238-V241 HydrophobicContact CG-CG2 4.41Å; L238-F250 HydrophobicContact CD1-CD1 3.99Å; L238-F250 HydrophobicContact CD1-CE1 4.01Å; L238-C283 WeakPolarHBondContact O-CA 3.34Å; L238-A284 HydrophobicContact CB-CB 4.47Å; L238-A284 PolarHBondContact N-O 2.84Å; L238-A284 PolarHBondContact O-N 2.9Å; L238-F286 HydrophobicContact CD1-CD2 4.41Å; L238-F286 HydrophobicContact CD1-CE2 3.88Å; L238-F286 HydrophobicContact CG-CE2 4.4Å; L238-N359 PolarHBondContact N-ND2 3.46Å; L238-N359 PolarHBondContact O-ND2 2.93Å
239	Q	98.8	Very high	97.7	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	161.1	168.5	-54.9	79.1	24.4	0	0	109.6	C193 Y194 N195 V196 V241 N359 H361 D412	C193-Q239 PolarHBondContact SG-NE2 2.89Å; C193-Q239 VanDerWaalsContact SG-NE2 3.36Å; Y194-Q239 PolarHBondContact O-N 2.92Å; Y194-Q239 VanDerWaalsContact O-N 3.13Å; Y194-Q239 PolarHBondContact O-OE1 2.85Å; N195-Q239 HydrophobicContact CB-CB 4.13Å; N195-Q239 VanDerWaalsContact N-OE1 3.08Å; V196-Q239 WeakPolarHBondContact CG2-O 3.1Å; V196-Q239 PolarHBondContact N-O 3.15Å; Q239-V241 VanDerWaalsContact C-N 3.27Å; Q239-V241 PolarHBondContact O-N 3.46Å; Q239-N359 PolarHBondContact NE2-OD1 3.49Å; Q239-H361 HydrophobicContact CB-CB 4.24Å; Q239-H361 HydrophobicContact CG-CB 4.11Å; Q239-D412 HydrophobicContact CG-CB 4.13Å
240	E	98.3	Very high	97.8	Very high	16 Å²	16	27.7 Å²	27.7	8%	0.075	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	57.7	35.6	-176.9	-62	-163.3	-163.9	0	0	114.6	N195 V196 L197 C198 Y201 E242 G282 H361	N195-E240 PolarHBondContact ND2-OE1 3.36Å; N195-E240 VanDerWaalsContact ND2-OE1 3.15Å; N195-E240 WeakPolarHBondContact OD1-CB 3.47Å; N195-E240 VanDerWaalsContact OD1-CD 3.23Å; N195-E240 WeakPolarHBondContact OD1-CG 3.32Å; V196-E240 WeakPolarHBondContact CG2-O 3.34Å; L197-E240 WeakPolarHBondContact CA-OE2 3.45Å; C198-E240 HydrophobicContact CB-CB 4.06Å; C198-E240 WeakPolarHBondContact CB-O 3.47Å; C198-E240 PolarHBondContact N-OE2 2.97Å; C198-E240 PolarHBondContact SG-OE2 2.85Å; C198-E240 VanDerWaalsContact SG-OE2 3.42Å; Y201-E240 WeakPolarHBondContact CD2-OE2 3.35Å; E240-E242 PolarHBondContact O-N 3.42Å; E240-G282 PolarHBondContact N-O 3.08Å; E240-H361 IonicContact OE1-CE1 3.38Å; E240-H361 PolarHBondContact OE1-CE1 3.4Å
241	V	98.4	Very high	98	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	116.2	173.6	-176.1	0	0	0	0	109.1	V196 L238 Q239 Y246 F250 F263 D281 G282 A284	V196-V241 HydrophobicContact CG2-CG2 4.45Å; L238-V241 HydrophobicContact CB-CG2 3.43Å; L238-V241 VanDerWaalsContact CB-CG2 3.43Å; L238-V241 HydrophobicContact CD1-CG2 4.09Å; L238-V241 HydrophobicContact CG-CG2 4.41Å; Q239-V241 VanDerWaalsContact C-N 3.27Å; Q239-V241 PolarHBondContact O-N 3.46Å; V241-Y246 HydrophobicContact CG1-CD2 4.37Å; V241-F250 HydrophobicContact CG1-CD2 3.75Å; V241-F250 HydrophobicContact CG1-CE2 3.96Å; V241-F263 HydrophobicContact CB-CD2 4.38Å; V241-F263 HydrophobicContact CB-CE2 4.1Å; V241-F263 HydrophobicContact CG1-CD2 4.42Å; V241-F263 HydrophobicContact CG1-CE2 4.3Å; V241-F263 WeakPolarHBondContact O-CE2 3.37Å; V241-D281 CarbonylContact O-C 3.58Å; V241-D281 VanDerWaalsContact O-CA 3.24Å; V241-D281 WeakPolarHBondContact O-CA 3.39Å; V241-G282 PolarHBondContact N-O 2.77Å; V241-G282 PolarHBondContact O-N 2.99Å; V241-A284 HydrophobicContact CG2-CB 4.15Å
242	E	97.8	Very high	98.2	Very high	10 Å²	10	26.7 Å²	26.7	5%	0.047	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	144.2	173.7	-67.3	-172.1	-173.1	0	0	112.2	C198 D199 K200 E240 E244 Q245 Y246 D281	C198-E242 HydrophobicContact CB-CG 3.75Å; D199-E242 WeakPolarHBondContact CB-OE1 3.39Å; D199-E242 PolarHBondContact N-OE1 3.34Å; K200-E242 PolarHBondContact N-OE1 3.08Å; E240-E242 PolarHBondContact O-N 3.42Å; E242-E244 PolarHBondContact O-N 2.78Å; E242-Q245 HydrophobicContact CB-CB 4.19Å; E242-Q245 HydrophobicContact CB-CG 3.94Å; E242-Q245 PolarHBondContact O-N 3.35Å; E242-Y246 PolarHBondContact O-N 2.82Å; E242-D281 HydrophobicContact CG-CB 4.44Å
243	T	97.6	Very high	98.3	Very high	18 Å²	18	25.8 Å²	25.8	11%	0.11	13%	0.129	C	C	.	.	H	α-helix	trans	-55.6	-49.3	-175.3	-64	0	0	0	0	112.6	Y247 F263 P265 R277 K278 V280	T243-Y247 HydrophobicContact CG2-CD2 4.45Å; T243-Y247 HydrophobicContact CG2-CE2 4.18Å; T243-Y247 WeakPolarHBondContact O-CD2 3.42Å; T243-F263 HydrophobicContact CG2-CE1 4.14Å; T243-P265 WeakPolarHBondContact OG1-CB 3.42Å; T243-R277 WeakPolarHBondContact CB-O 3.44Å; T243-R277 PolarHBondContact OG1-O 3.08Å; T243-K278 WeakPolarHBondContact CB-O 3.26Å; T243-K278 PolarHBondContact N-O 3.27Å; T243-V280 PolarHBondContact N-O 2.91Å; T243-V280 PolarHBondContact OG1-O 2.79Å
244	E	97.1	Very high	98.2	Very high	70 Å²	70	25.8 Å²	25.8	33%	0.327	13%	0.129	S	C	.	.	H	α-helix	trans	-64.5	-45.2	179	-175.8	165.7	-125.5	0	0	111.1	E242 Y246 Y247 S248 K278	E242-E244 PolarHBondContact O-N 2.78Å; E244-Y246 VanDerWaalsContact C-N 3.3Å; E244-Y246 PolarHBondContact O-N 3.12Å; E244-Y247 PolarHBondContact O-N 3.01Å; E244-Y247 VanDerWaalsContact O-N 3.11Å; E244-S248 WeakPolarHBondContact O-CB 3.35Å; E244-S248 PolarHBondContact O-N 3.42Å; E244-S248 PolarHBondContact O-OG 3.12Å; E244-K278 HydrophobicContact CB-CB 4.03Å; E244-K278 HydrophobicContact CB-CG 4.43Å; E244-K278 PolarHBondContact N-O 3.08Å; E244-K278 IonicContact OE1-NZ 3.88Å
245	Q	98	Very high	98.2	Very high	26 Å²	26	30.9 Å²	30.9	12%	0.121	15%	0.151	C	C	.	.	H	α-helix	trans	-64.7	-31.9	-178.4	-57.8	-53.7	-41.8	0	0	113	W217 E242 F249 F250	W217-Q245 HydrophobicContact CZ2-CB 3.97Å; W217-Q245 HydrophobicContact CZ2-CG 3.76Å; E242-Q245 HydrophobicContact CB-CB 4.19Å; E242-Q245 HydrophobicContact CB-CG 3.94Å; E242-Q245 PolarHBondContact O-N 3.35Å; Q245-F249 WeakPolarHBondContact O-CA 3.48Å; Q245-F249 WeakPolarHBondContact O-CB 3.37Å; Q245-F249 PolarHBondContact O-N 3.42Å; Q245-F250 HydrophobicContact CB-CD2 4.28Å; Q245-F250 HydrophobicContact CB-CE2 4.22Å; Q245-F250 WeakPolarHBondContact O-CD2 3.48Å; Q245-F250 PolarHBondContact O-N 3.19Å
246	Y	98.5	Very high	98.1	Very high	8 Å²	8	38.1 Å²	38.1	3%	0.031	19%	0.185	C	C	.	.	I	π-helix	trans	-56.9	-51.9	171.5	174.7	-100.8	0	0	0	111.2	V241 E242 E244 L251 G261 F262 F263 A284 F286	V241-Y246 HydrophobicContact CG1-CD2 4.37Å; E242-Y246 PolarHBondContact O-N 2.82Å; E244-Y246 VanDerWaalsContact C-N 3.3Å; E244-Y246 PolarHBondContact O-N 3.12Å; Y246-L251 HydrophobicContact CE1-CB 4.49Å; Y246-L251 HydrophobicContact CE1-CD2 4.02Å; Y246-L251 WeakPolarHBondContact O-CB 3.48Å; Y246-L251 PolarHBondContact O-N 3.06Å; Y246-G261 PolarHBondContact OH-O 3.33Å; Y246-F262 PolarHBondContact OH-N 3.38Å; Y246-F263 HydrophobicContact CD1-CB 3.58Å; Y246-F263 AromaticContact CD1-CD1 3.8Å; Y246-F263 HydrophobicContact CD1-CD1 3.8Å; Y246-F263 AromaticContact CD1-CG 3.82Å; Y246-F263 HydrophobicContact CD1-CG 3.82Å; Y246-F263 HydrophobicContact CD2-CB 3.43Å; Y246-F263 VanDerWaalsContact CD2-CB 3.43Å; Y246-F263 HydrophobicContact CD2-CD2 4.15Å; Y246-F263 AromaticContact CD2-CG 3.82Å; Y246-F263 HydrophobicContact CD2-CG 3.82Å; Y246-F263 HydrophobicContact CE1-CB 3.49Å; Y246-F263 VanDerWaalsContact CE1-CB 3.49Å; Y246-F263 HydrophobicContact CE1-CD1 4.4Å; Y246-F263 HydrophobicContact CE1-CG 4.24Å; Y246-F263 HydrophobicContact CE2-CB 3.34Å; Y246-F263 HydrophobicContact CE2-CG 4.24Å; Y246-F263 HydrophobicContact CG-CB 3.54Å; Y246-F263 AromaticContact CG-CD1 3.87Å; Y246-F263 HydrophobicContact CG-CD1 3.87Å; Y246-F263 HydrophobicContact CG-CD2 4.13Å; Y246-F263 AromaticContact CG-CG 3.57Å; Y246-F263 HydrophobicContact CG-CG 3.57Å; Y246-A284 HydrophobicContact CD2-CB 4.06Å; Y246-A284 HydrophobicContact CE2-CB 4.08Å; Y246-F286 HydrophobicContact CD2-CE1 4.35Å; Y246-F286 AromaticContact CD2-CZ 3.72Å; Y246-F286 HydrophobicContact CD2-CZ 3.72Å; Y246-F286 AromaticContact CE2-CE1 3.67Å; Y246-F286 HydrophobicContact CE2-CE1 3.67Å; Y246-F286 HydrophobicContact CE2-CE2 4.32Å; Y246-F286 AromaticContact CE2-CZ 3.41Å; Y246-F286 HydrophobicContact CE2-CZ 3.41Å; Y246-F286 VanDerWaalsContact CE2-CZ 3.41Å
247	Y	98.2	Very high	98	Very high	137 Å²	137	45.8 Å²	45.8	54%	0.537	21%	0.214	S	C	.	.	I	π-helix	trans	-79	-37.9	-173.8	-67.7	-70	0	0	0	113.3	T243 E244 L251 V252 F263	T243-Y247 HydrophobicContact CG2-CD2 4.45Å; T243-Y247 HydrophobicContact CG2-CE2 4.18Å; T243-Y247 WeakPolarHBondContact O-CD2 3.42Å; E244-Y247 PolarHBondContact O-N 3.01Å; E244-Y247 VanDerWaalsContact O-N 3.11Å; Y247-L251 HydrophobicContact CD1-CD2 4.44Å; Y247-V252 WeakPolarHBondContact O-CG2 3.14Å; Y247-F263 HydrophobicContact CE2-CD1 4.42Å
248	S	97.5	Very high	98	Very high	71 Å²	71	47.4 Å²	47.4	50%	0.497	23%	0.23	S	C	.	.	I	π-helix	trans	-90.1	-19.4	-174.1	68.5	0	0	0	0	114	E244	E244-S248 WeakPolarHBondContact O-CB 3.35Å; E244-S248 PolarHBondContact O-N 3.42Å; E244-S248 PolarHBondContact O-OG 3.12Å
249	F	98.1	Very high	98	Very high	22 Å²	22	47.7 Å²	47.7	10%	0.096	23%	0.231	C	C	.	.	I	π-helix	trans	-127.7	-73	-173.8	-179.9	-117.2	0	0	0	112	W217 K221 I225 Q245 L251 V252 E253	W217-F249 HydrophobicContact CZ2-CD1 4.37Å; K221-F249 HydrophobicContact CB-CD1 4.38Å; K221-F249 HydrophobicContact CB-CE1 3.72Å; K221-F249 HydrophobicContact CB-CZ 3.97Å; K221-F249 HydrophobicContact CD-CZ 4.48Å; K221-F249 HydrophobicContact CG-CE1 4.21Å; K221-F249 HydrophobicContact CG-CE2 4.46Å; K221-F249 HydrophobicContact CG-CZ 4.01Å; K221-F249 WeakPolarHBondContact O-CZ 3.22Å; I225-F249 HydrophobicContact CB-CE1 4.22Å; I225-F249 HydrophobicContact CB-CZ 3.79Å; I225-F249 HydrophobicContact CG1-CZ 4.34Å; I225-F249 HydrophobicContact CG2-CZ 3.82Å; Q245-F249 WeakPolarHBondContact O-CA 3.48Å; Q245-F249 WeakPolarHBondContact O-CB 3.37Å; Q245-F249 PolarHBondContact O-N 3.42Å; F249-L251 PolarHBondContact O-N 3.28Å; F249-V252 PolarHBondContact O-N 3.37Å; F249-V252 VanDerWaalsContact O-N 3.1Å; F249-E253 HydrophobicContact CD2-CG 3.88Å; F249-E253 HydrophobicContact CE2-CG 3.77Å; F249-E253 HydrophobicContact CZ-CG 4.46Å; F249-E253 WeakPolarHBondContact O-CG 2.94Å; F249-E253 PolarHBondContact O-N 3.05Å
250	F	98.5	Very high	97.9	Very high	1 Å²	1	50.8 Å²	50.8	0%	0.004	25%	0.248	C	C	.	.	I	π-helix	trans	-58.8	-47.1	-171	-71.5	-75	0	0	0	113.4	V196 W217 I224 I228 L238 V241 Q245 V252 L254 F286	V196-F250 HydrophobicContact CG2-CZ 4.26Å; W217-F250 AromaticContact CH2-CE2 3.93Å; W217-F250 HydrophobicContact CH2-CE2 3.93Å; W217-F250 AromaticContact CH2-CZ 3.87Å; W217-F250 HydrophobicContact CH2-CZ 3.87Å; W217-F250 HydrophobicContact CZ2-CE2 4.08Å; W217-F250 HydrophobicContact CZ2-CZ 4.34Å; I224-F250 HydrophobicContact CG2-CE1 3.92Å; I224-F250 HydrophobicContact CG2-CZ 4.12Å; I228-F250 HydrophobicContact CD1-CD1 4.27Å; I228-F250 HydrophobicContact CD1-CE1 3.93Å; L238-F250 HydrophobicContact CD1-CD1 3.99Å; L238-F250 HydrophobicContact CD1-CE1 4.01Å; V241-F250 HydrophobicContact CG1-CD2 3.75Å; V241-F250 HydrophobicContact CG1-CE2 3.96Å; Q245-F250 HydrophobicContact CB-CD2 4.28Å; Q245-F250 HydrophobicContact CB-CE2 4.22Å; Q245-F250 WeakPolarHBondContact O-CD2 3.48Å; Q245-F250 PolarHBondContact O-N 3.19Å; F250-V252 VanDerWaalsContact C-N 3.3Å; F250-V252 PolarHBondContact O-N 2.92Å; F250-L254 VanDerWaalsContact O-CB 3.25Å; F250-L254 WeakPolarHBondContact O-CB 3.42Å; F250-L254 VanDerWaalsContact O-CG 3.28Å; F250-L254 WeakPolarHBondContact O-CG 3.26Å; F250-L254 PolarHBondContact O-N 2.88Å; F250-F286 HydrophobicContact CB-CE2 4.49Å; F250-F286 HydrophobicContact CB-CZ 3.82Å
251	L	98.3	Very high	97.9	Very high	18 Å²	18	50.6 Å²	50.6	9%	0.094	25%	0.25	C	S	.	.	H	α-helix	trans	-67.4	-32.2	-179.9	-175.1	63.1	0	0	0	112.3	Y246 Y247 F249 K255 F286	Y246-L251 HydrophobicContact CE1-CB 4.49Å; Y246-L251 HydrophobicContact CE1-CD2 4.02Å; Y246-L251 WeakPolarHBondContact O-CB 3.48Å; Y246-L251 PolarHBondContact O-N 3.06Å; Y247-L251 HydrophobicContact CD1-CD2 4.44Å; F249-L251 PolarHBondContact O-N 3.28Å; L251-K255 HydrophobicContact CD1-CD 4.24Å; L251-K255 HydrophobicContact CD1-CG 4.24Å; L251-K255 HydrophobicContact CG-CD 4.08Å; L251-K255 HydrophobicContact CG-CG 4.48Å; L251-K255 WeakPolarHBondContact O-CB 3.26Å; L251-K255 WeakPolarHBondContact O-CD 3.38Å; L251-K255 WeakPolarHBondContact O-CG 3.29Å; L251-K255 PolarHBondContact O-N 3.48Å; L251-K255 VanDerWaalsContact O-N 3.11Å; L251-F286 HydrophobicContact CB-CE1 4.44Å; L251-F286 HydrophobicContact CD1-CE1 4.08Å
252	V	98.1	Very high	97.9	Very high	67 Å²	67	51.6 Å²	51.6	41%	0.406	26%	0.255	S	S	.	.	H	α-helix	trans	-70.3	-56.5	179.1	178.6	0	0	0	0	109.5	Y247 F249 F250 L254 K255 E256	Y247-V252 WeakPolarHBondContact O-CG2 3.14Å; F249-V252 PolarHBondContact O-N 3.37Å; F249-V252 VanDerWaalsContact O-N 3.1Å; F250-V252 VanDerWaalsContact C-N 3.3Å; F250-V252 PolarHBondContact O-N 2.92Å; V252-L254 VanDerWaalsContact C-N 3.34Å; V252-L254 PolarHBondContact O-N 3.43Å; V252-K255 PolarHBondContact O-N 3.06Å; V252-E256 PolarHBondContact O-N 3.36Å
253	E	97.8	Very high	98	Very high	69 Å²	69	51.7 Å²	51.7	32%	0.322	26%	0.255	S	S	.	.	H	α-helix	trans	-59.1	-42.9	-178.7	-65.8	-69.7	154.7	0	0	112.2	I225 F249 E256	I225-E253 HydrophobicContact CD1-CB 3.98Å; I225-E253 HydrophobicContact CG1-CB 4.06Å; I225-E253 HydrophobicContact CG1-CG 4.33Å; F249-E253 HydrophobicContact CD2-CG 3.88Å; F249-E253 HydrophobicContact CE2-CG 3.77Å; F249-E253 HydrophobicContact CZ-CG 4.46Å; F249-E253 WeakPolarHBondContact O-CG 2.94Å; F249-E253 PolarHBondContact O-N 3.05Å; E253-E256 PolarHBondContact O-N 3.43Å
254	L	98.1	Very high	98	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-75.9	-28.8	-179.3	-66.2	173.7	0	0	0	112.5	I225 I228 L229 F250 V252 E256 R257 G258 Y259 F286	I225-L254 HydrophobicContact CD1-CD2 4.2Å; I225-L254 HydrophobicContact CD1-CG 4.3Å; I228-L254 HydrophobicContact CG2-CD2 3.86Å; L229-L254 HydrophobicContact CD2-CD2 3.94Å; F250-L254 VanDerWaalsContact O-CB 3.25Å; F250-L254 WeakPolarHBondContact O-CB 3.42Å; F250-L254 VanDerWaalsContact O-CG 3.28Å; F250-L254 WeakPolarHBondContact O-CG 3.26Å; F250-L254 PolarHBondContact O-N 2.88Å; V252-L254 VanDerWaalsContact C-N 3.34Å; V252-L254 PolarHBondContact O-N 3.43Å; L254-E256 VanDerWaalsContact C-N 3.3Å; L254-E256 PolarHBondContact O-N 2.78Å; L254-R257 CarbonylContact O-C 3.55Å; L254-R257 WeakPolarHBondContact O-CA 3.37Å; L254-R257 PolarHBondContact O-N 2.75Å; L254-G258 PolarHBondContact O-N 2.58Å; L254-Y259 HydrophobicContact CB-CD2 4.2Å; L254-Y259 HydrophobicContact CB-CG 4.16Å; L254-Y259 HydrophobicContact CD2-CD2 4.27Å; L254-Y259 HydrophobicContact CD2-CE2 4.4Å; L254-Y259 WeakPolarHBondContact O-CB 3.25Å; L254-Y259 VanDerWaalsContact O-CD2 3.28Å; L254-Y259 WeakPolarHBondContact O-CD2 3.18Å; L254-Y259 PolarHBondContact O-N 2.96Å; L254-F286 HydrophobicContact CB-CD1 4.29Å; L254-F286 HydrophobicContact CD1-CB 4.21Å; L254-F286 HydrophobicContact CD1-CD1 3.6Å; L254-F286 HydrophobicContact CD1-CD2 3.68Å; L254-F286 HydrophobicContact CD1-CE1 3.77Å; L254-F286 HydrophobicContact CD1-CE2 3.84Å; L254-F286 HydrophobicContact CD1-CG 3.55Å; L254-F286 HydrophobicContact CD1-CZ 3.88Å
255	K	97.8	Very high	98	Very high	115 Å²	115	49.8 Å²	49.8	50%	0.5	25%	0.249	S	C	.	.	H	α-helix	trans	-63.2	-37.5	173.5	-88.4	176	177.4	176.3	0	112.3	L251 V252 R257 G258 Y259	L251-K255 HydrophobicContact CD1-CD 4.24Å; L251-K255 HydrophobicContact CD1-CG 4.24Å; L251-K255 HydrophobicContact CG-CD 4.08Å; L251-K255 HydrophobicContact CG-CG 4.48Å; L251-K255 WeakPolarHBondContact O-CB 3.26Å; L251-K255 WeakPolarHBondContact O-CD 3.38Å; L251-K255 WeakPolarHBondContact O-CG 3.29Å; L251-K255 PolarHBondContact O-N 3.48Å; L251-K255 VanDerWaalsContact O-N 3.11Å; V252-K255 PolarHBondContact O-N 3.06Å; K255-R257 PolarHBondContact O-N 2.85Å; K255-R257 VanDerWaalsContact O-N 3.16Å; K255-G258 PolarHBondContact O-N 3.31Å; K255-Y259 WeakPolarHBondContact CG-O 3.32Å
256	E	97.1	Very high	97.9	Very high	153 Å²	153	49.1 Å²	49.1	72%	0.715	25%	0.246	S	C	*	.	H	α-helix	trans	-60.7	-23.1	174.7	-64.5	-171.5	169.8	0	0	112.5	V252 E253 L254	V252-E256 PolarHBondContact O-N 3.36Å; E253-E256 PolarHBondContact O-N 3.43Å; L254-E256 VanDerWaalsContact C-N 3.3Å; L254-E256 PolarHBondContact O-N 2.78Å
257	R	96.8	Very high	97.4	Very high	161 Å²	161	49.2 Å²	49.2	61%	0.608	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.2	14.4	177.4	-60.2	-71.3	-168.4	153.3	3.5	113.5	L229 L254 K255 Y259	L229-R257 HydrophobicContact CD2-CB 4.43Å; L229-R257 HydrophobicContact CD2-CG 3.72Å; L254-R257 CarbonylContact O-C 3.55Å; L254-R257 WeakPolarHBondContact O-CA 3.37Å; L254-R257 PolarHBondContact O-N 2.75Å; K255-R257 PolarHBondContact O-N 2.85Å; K255-R257 VanDerWaalsContact O-N 3.16Å; R257-Y259 HydrophobicContact CB-CD2 3.88Å; R257-Y259 HydrophobicContact CB-CE2 3.92Å; R257-Y259 WeakPolarHBondContact O-CD2 3.42Å
258	G	97.8	Very high	97	Very high	33 Å²	33	44.8 Å²	44.8	34%	0.34	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.9	13	174	0	0	0	0	0	115.4	L254 K255 T289	L254-G258 PolarHBondContact O-N 2.58Å; K255-G258 PolarHBondContact O-N 3.31Å; G258-T289 PolarHBondContact O-N 3.35Å; G258-T289 PolarHBondContact O-OG1 2.8Å
259	Y	98.6	Very high	96.4	Very high	7 Å²	7	41.7 Å²	41.7	3%	0.027	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	151.2	176	-65.2	-103	0	0	0	112	A233 V236 L254 K255 R257 F286 F287 K288	A233-Y259 WeakPolarHBondContact O-CE1 3.23Å; A233-Y259 VanDerWaalsContact O-CZ 3.26Å; A233-Y259 PolarHBondContact O-OH 2.92Å; V236-Y259 HydrophobicContact CG2-CE1 4.09Å; L254-Y259 HydrophobicContact CB-CD2 4.2Å; L254-Y259 HydrophobicContact CB-CG 4.16Å; L254-Y259 HydrophobicContact CD2-CD2 4.27Å; L254-Y259 HydrophobicContact CD2-CE2 4.4Å; L254-Y259 WeakPolarHBondContact O-CB 3.25Å; L254-Y259 VanDerWaalsContact O-CD2 3.28Å; L254-Y259 WeakPolarHBondContact O-CD2 3.18Å; L254-Y259 PolarHBondContact O-N 2.96Å; K255-Y259 WeakPolarHBondContact CG-O 3.32Å; R257-Y259 HydrophobicContact CB-CD2 3.88Å; R257-Y259 HydrophobicContact CB-CE2 3.92Å; R257-Y259 WeakPolarHBondContact O-CD2 3.42Å; Y259-F286 HydrophobicContact CD1-CB 3.92Å; Y259-F287 WeakPolarHBondContact CA-O 3.2Å; Y259-K288 HydrophobicContact CD1-CG 4.03Å; Y259-K288 HydrophobicContact CD2-CG 4.43Å; Y259-K288 HydrophobicContact CE1-CG 3.62Å; Y259-K288 HydrophobicContact CE2-CG 4.07Å; Y259-K288 HydrophobicContact CG-CG 4.42Å; Y259-K288 WeakPolarHBondContact OH-CE 3.43Å
260	N	98.3	Very high	95.8	Very high	65 Å²	65	48.7 Å²	48.7	35%	0.348	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	166.1	155.6	-162.4	-3.1	0	0	0	108.2	F286 F287 T289	N260-F286 CarbonylContact O-C 3.59Å; N260-F286 VanDerWaalsContact O-CA 3.24Å; N260-F286 WeakPolarHBondContact O-CA 3.41Å; N260-F287 HydrophobicContact CB-CE2 3.92Å; N260-F287 HydrophobicContact CB-CZ 3.96Å; N260-F287 PolarHBondContact N-O 3.18Å; N260-F287 PolarHBondContact O-N 2.98Å; N260-T289 HydrophobicContact CB-CG2 3.59Å
261	G	98	Very high	95.2	Very high	12 Å²	12	54.8 Å²	54.8	12%	0.124	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	164.3	-177.2	0	0	0	0	0	114.4	Y246 I285	Y246-G261 PolarHBondContact OH-O 3.33Å; G261-I285 CarbonylContact C-O 3.58Å; G261-I285 WeakPolarHBondContact CA-O 3.39Å
262	F	98.7	Very high	94.9	Very high	21 Å²	21	56.7 Å²	56.7	9%	0.092	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	139.1	170.5	174.2	-121.8	0	0	0	109.3	Y246 A284 I285 K297 H298 V328 V330	Y246-F262 PolarHBondContact OH-N 3.38Å; F262-A284 CarbonylContact O-C 3.55Å; F262-A284 VanDerWaalsContact O-CA 3.25Å; F262-A284 WeakPolarHBondContact O-CA 3.2Å; F262-I285 PolarHBondContact N-O 2.81Å; F262-I285 PolarHBondContact O-N 2.72Å; F262-K297 HydrophobicContact CD1-CB 4.02Å; F262-K297 HydrophobicContact CD2-CB 3.96Å; F262-K297 HydrophobicContact CD2-CD 3.62Å; F262-K297 HydrophobicContact CD2-CG 4.21Å; F262-K297 HydrophobicContact CE1-CB 4.05Å; F262-K297 HydrophobicContact CE2-CB 4.01Å; F262-K297 HydrophobicContact CE2-CD 3.7Å; F262-K297 HydrophobicContact CE2-CG 4.02Å; F262-K297 HydrophobicContact CG-CB 3.95Å; F262-K297 HydrophobicContact CG-CD 4.36Å; F262-K297 HydrophobicContact CZ-CB 4.04Å; F262-K297 HydrophobicContact CZ-CD 4.48Å; F262-K297 HydrophobicContact CZ-CG 4.33Å; F262-H298 WeakPolarHBondContact CE1-O 3.19Å; F262-V328 HydrophobicContact CD1-CB 4.11Å; F262-V328 HydrophobicContact CD1-CG1 4.46Å; F262-V328 HydrophobicContact CE1-CB 3.78Å; F262-V328 HydrophobicContact CE1-CG1 3.87Å; F262-V330 HydrophobicContact CB-CG1 3.74Å; F262-V330 HydrophobicContact CD1-CG1 3.7Å; F262-V330 HydrophobicContact CG-CG1 4.05Å
263	F	98.6	Very high	94.6	Very high	12 Å²	12	56.3 Å²	56.3	5%	0.053	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	146.5	178.8	166.3	-102.3	0	0	0	110.5	V241 T243 Y246 Y247 P265 C283 A284	V241-F263 HydrophobicContact CB-CD2 4.38Å; V241-F263 HydrophobicContact CB-CE2 4.1Å; V241-F263 HydrophobicContact CG1-CD2 4.42Å; V241-F263 HydrophobicContact CG1-CE2 4.3Å; V241-F263 WeakPolarHBondContact O-CE2 3.37Å; T243-F263 HydrophobicContact CG2-CE1 4.14Å; Y246-F263 HydrophobicContact CD1-CB 3.58Å; Y246-F263 AromaticContact CD1-CD1 3.8Å; Y246-F263 HydrophobicContact CD1-CD1 3.8Å; Y246-F263 AromaticContact CD1-CG 3.82Å; Y246-F263 HydrophobicContact CD1-CG 3.82Å; Y246-F263 HydrophobicContact CD2-CB 3.43Å; Y246-F263 VanDerWaalsContact CD2-CB 3.43Å; Y246-F263 HydrophobicContact CD2-CD2 4.15Å; Y246-F263 AromaticContact CD2-CG 3.82Å; Y246-F263 HydrophobicContact CD2-CG 3.82Å; Y246-F263 HydrophobicContact CE1-CB 3.49Å; Y246-F263 VanDerWaalsContact CE1-CB 3.49Å; Y246-F263 HydrophobicContact CE1-CD1 4.4Å; Y246-F263 HydrophobicContact CE1-CG 4.24Å; Y246-F263 HydrophobicContact CE2-CB 3.34Å; Y246-F263 HydrophobicContact CE2-CG 4.24Å; Y246-F263 HydrophobicContact CG-CB 3.54Å; Y246-F263 AromaticContact CG-CD1 3.87Å; Y246-F263 HydrophobicContact CG-CD1 3.87Å; Y246-F263 HydrophobicContact CG-CD2 4.13Å; Y246-F263 AromaticContact CG-CG 3.57Å; Y246-F263 HydrophobicContact CG-CG 3.57Å; Y247-F263 HydrophobicContact CE2-CD1 4.42Å; F263-P265 HydrophobicContact CE1-CB 4.13Å; F263-P265 HydrophobicContact CE1-CG 4.33Å; F263-P265 HydrophobicContact CZ-CB 3.95Å; F263-C283 WeakPolarHBondContact CA-O 3.24Å; F263-C283 WeakPolarHBondContact CD2-O 3.41Å; F263-A284 HydrophobicContact CB-CB 4.29Å; F263-A284 HydrophobicContact CD2-CB 4.13Å
264	S	98.3	Very high	94.2	Very high	14 Å²	14	59.6 Å²	59.6	10%	0.098	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	132.7	167	-165.5	0	0	0	0	109.4	G282 C283 T299 I326	S264-G282 WeakPolarHBondContact O-CA 3.33Å; S264-C283 PolarHBondContact N-O 2.86Å; S264-C283 VanDerWaalsContact N-O 3.17Å; S264-C283 PolarHBondContact O-N 2.87Å; S264-C283 VanDerWaalsContact O-N 3.17Å; S264-T299 VanDerWaalsContact CB-OG1 3.27Å; S264-T299 WeakPolarHBondContact CB-OG1 3.32Å; S264-T299 WeakPolarHBondContact OG-CG2 3.49Å; S264-T299 PolarHBondContact OG-OG1 3.24Å; S264-T299 VanDerWaalsContact OG-OG1 3.08Å; S264-I326 WeakPolarHBondContact O-CD1 2.96Å
265	P	97.5	Very high	93.8	Very high	34 Å²	34	65.3 Å²	65.3	22%	0.221	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	160.9	171.3	32.4	-34.2	0	0	0	111.3	T243 F263 A269 V280 I326	T243-P265 WeakPolarHBondContact OG1-CB 3.42Å; F263-P265 HydrophobicContact CE1-CB 4.13Å; F263-P265 HydrophobicContact CE1-CG 4.33Å; F263-P265 HydrophobicContact CZ-CB 3.95Å; P265-A269 HydrophobicContact CB-CB 3.92Å; P265-A269 HydrophobicContact CG-CB 3.79Å; P265-V280 HydrophobicContact CB-CB 4.48Å; P265-V280 HydrophobicContact CB-CG1 4Å; P265-I326 WeakPolarHBondContact O-CD1 3.42Å
266	K	95.3	Very high	93.4	Very high	12 Å²	12	64.6 Å²	64.6	5%	0.052	32%	0.322	C	S	.	.			trans	-55.4	150.7	170.3	-81.8	-177.8	-80.5	-168.2	0	112.3	Y201 R268 A269 V280 D281 D324 I326	Y201-K266 PolarHBondContact OH-NZ 3.31Å; K266-R268 VanDerWaalsContact CD-NH1 3.31Å; K266-R268 PolarHBondContact O-N 2.7Å; K266-A269 VanDerWaalsContact O-CB 3.3Å; K266-A269 WeakPolarHBondContact O-CB 3.38Å; K266-A269 PolarHBondContact O-N 2.96Å; K266-V280 HydrophobicContact CB-CG1 4.1Å; K266-D281 WeakPolarHBondContact CE-O 3.3Å; K266-D281 WeakPolarHBondContact CE-OD1 3.46Å; K266-D281 WeakPolarHBondContact CE-OD2 3.49Å; K266-D281 PolarHBondContact N-O 3.25Å; K266-D281 IonicContact NZ-OD1 2.88Å; K266-D281 PolarHBondContact NZ-OD1 2.64Å; K266-D281 IonicContact NZ-OD2 3.94Å; K266-D281 PolarHBondContact NZ-OD2 2.74Å; K266-D324 WeakPolarHBondContact CB-O 3.5Å; K266-D324 WeakPolarHBondContact CG-O 3.2Å; K266-I326 HydrophobicContact CG-CG1 4.15Å
267	S	89.1	Confident	93.2	Very high	9 Å²	9	62.7 Å²	62.7	6%	0.063	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-58.9	-26.6	-167.5	-53.9	0	0	0	0	114.3	A269 R270 E301 D324 I326	S267-A269 PolarHBondContact O-N 2.93Å; S267-A269 VanDerWaalsContact O-N 3.13Å; S267-R270 PolarHBondContact O-N 3.24Å; S267-E301 WeakPolarHBondContact OG-CG 3.32Å; S267-D324 PolarHBondContact N-O 2.67Å; S267-I326 WeakPolarHBondContact OG-CG2 3.23Å
268	R	88.8	Confident	93	Very high	44 Å²	44	58.2 Å²	58.2	17%	0.166	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-57.2	-24.9	175.8	67.8	176.1	-179.8	-87.2	-0	113.7	K266 R270 T271 M272 V280 D281 D324	K266-R268 VanDerWaalsContact CD-NH1 3.31Å; K266-R268 PolarHBondContact O-N 2.7Å; R268-R270 PolarHBondContact O-N 3.23Å; R268-T271 PolarHBondContact O-N 3.19Å; R268-T271 VanDerWaalsContact O-N 3.1Å; R268-T271 PolarHBondContact O-OG1 3.02Å; R268-M272 HydrophobicContact CB-SD 4.42Å; R268-M272 HydrophobicContact CG-SD 4.06Å; R268-M272 WeakPolarHBondContact O-CG 3.3Å; R268-M272 PolarHBondContact O-N 2.85Å; R268-V280 HydrophobicContact CG-CG1 4Å; R268-V280 HydrophobicContact CG-CG2 4.27Å; R268-D281 IonicContact CZ-OD1 2.64Å; R268-D281 IonicContact NH2-OD1 3.8Å; R268-D281 PolarHBondContact NH2-OD1 3.33Å; R268-D324 HydrophobicContact CB-CB 4.47Å; R268-D324 WeakPolarHBondContact CB-OD2 3.46Å; R268-D324 WeakPolarHBondContact CD-OD2 3.47Å; R268-D324 WeakPolarHBondContact CG-OD2 3.18Å; R268-D324 IonicContact CZ-OD2 3.8Å; R268-D324 IonicContact NE-OD2 3.84Å; R268-D324 IonicContact NH1-OD1 3.64Å; R268-D324 IonicContact NH1-OD2 2.99Å; R268-D324 PolarHBondContact NH1-OD2 3.13Å
269	A	84.1	Confident	92.8	Very high	7 Å²	7	60.2 Å²	60.2	6%	0.058	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-53.6	-25.1	176.9	0	0	0	0	0	113.9	P265 K266 S267 R277 V280	P265-A269 HydrophobicContact CB-CB 3.92Å; P265-A269 HydrophobicContact CG-CB 3.79Å; K266-A269 VanDerWaalsContact O-CB 3.3Å; K266-A269 WeakPolarHBondContact O-CB 3.38Å; K266-A269 PolarHBondContact O-N 2.96Å; S267-A269 PolarHBondContact O-N 2.93Å; S267-A269 VanDerWaalsContact O-N 3.13Å; A269-R277 HydrophobicContact CB-CG 3.9Å; A269-R277 VanDerWaalsContact O-CD 3.31Å; A269-R277 WeakPolarHBondContact O-CD 3.49Å; A269-V280 HydrophobicContact CB-CB 4.21Å; A269-V280 HydrophobicContact CB-CG1 3.99Å; A269-V280 HydrophobicContact CB-CG2 4.33Å
270	R	86	Confident	92.7	Very high	169 Å²	169	60 Å²	60	64%	0.638	29%	0.293	S	S	*	.	G	3₁₀ helix	trans	-74.1	-25.8	-178.7	-63.4	-177.5	-178.5	-161.5	0.7	113.9	S267 R268 E301	S267-R270 PolarHBondContact O-N 3.24Å; R268-R270 PolarHBondContact O-N 3.23Å; R270-E301 IonicContact CZ-OE1 3.16Å; R270-E301 IonicContact CZ-OE2 3.41Å; R270-E301 IonicContact NE-OE1 3.26Å; R270-E301 PolarHBondContact NE-OE1 3.46Å; R270-E301 IonicContact NE-OE2 3.75Å; R270-E301 IonicContact NH1-OE2 3.77Å; R270-E301 VanDerWaalsContact NH2-CD 3.3Å; R270-E301 IonicContact NH2-OE1 2.64Å; R270-E301 PolarHBondContact NH2-OE1 2.94Å; R270-E301 IonicContact NH2-OE2 3.37Å; R270-E301 PolarHBondContact NH2-OE2 2.98Å
271	T	87.1	Confident	92.6	Very high	128 Å²	128	56.9 Å²	56.9	79%	0.785	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.2	-4.8	-175.1	55.7	0	0	0	0	113.2	R268	R268-T271 PolarHBondContact O-N 3.19Å; R268-T271 VanDerWaalsContact O-N 3.1Å; R268-T271 PolarHBondContact O-OG1 3.02Å
272	M	90.4	Very high	92.6	Very high	59 Å²	59	56.4 Å²	56.4	29%	0.291	27%	0.271	S	S	.	.	S	Bend	trans	-90.8	162	-178.8	-66.6	-176.1	88.3	0	0	112.3	R268 E276 V280	R268-M272 HydrophobicContact CB-SD 4.42Å; R268-M272 HydrophobicContact CG-SD 4.06Å; R268-M272 WeakPolarHBondContact O-CG 3.3Å; R268-M272 PolarHBondContact O-N 2.85Å; M272-E276 HydrophobicContact CB-CB 4.24Å; M272-E276 HydrophobicContact CE-CB 3.56Å; M272-E276 HydrophobicContact CE-CG 4.2Å; M272-E276 HydrophobicContact SD-CB 4.5Å; M272-V280 HydrophobicContact SD-CG2 3.62Å
273	S	92.4	Very high	92.6	Very high	59 Å²	59	55.4 Å²	55.4	41%	0.413	27%	0.267	S	S	.	.			trans	-64.6	160.1	172	69.3	0	0	0	0	111.6	Q275 E276 R277	S273-Q275 VanDerWaalsContact C-N 3.26Å; S273-Q275 PolarHBondContact O-N 3.23Å; S273-E276 WeakPolarHBondContact CB-OE2 3.18Å; S273-E276 PolarHBondContact N-OE2 3.12Å; S273-E276 PolarHBondContact O-N 3.2Å; S273-E276 VanDerWaalsContact OG-CD 3.27Å; S273-E276 VanDerWaalsContact OG-CG 3.28Å; S273-E276 WeakPolarHBondContact OG-CG 3.35Å; S273-E276 PolarHBondContact OG-N 3.36Å; S273-E276 PolarHBondContact OG-OE2 3.34Å; S273-R277 VanDerWaalsContact O-CB 3.28Å; S273-R277 WeakPolarHBondContact O-CB 3.33Å; S273-R277 PolarHBondContact O-N 2.71Å
274	E	88.6	Confident	92.6	Very high	137 Å²	137	54.9 Å²	54.9	64%	0.64	27%	0.265	S	S	*	.	H	α-helix	trans	-58.9	-37.5	-179.7	-175.8	171.2	-162.4	0	0	112.8	K278	E274-K278 PolarHBondContact O-N 3.42Å
275	Q	89.8	Confident	92.6	Very high	120 Å²	120	54.2 Å²	54.2	56%	0.561	26%	0.26	S	S	*	.	H	α-helix	trans	-70.1	-40.2	-179.9	-174.1	62.5	12.1	0	0	112.3	S273 H279	S273-Q275 VanDerWaalsContact C-N 3.26Å; S273-Q275 PolarHBondContact O-N 3.23Å; Q275-H279 PolarHBondContact O-CE1 3.34Å; Q275-H279 PolarHBondContact O-ND1 3.32Å
276	E	90.4	Very high	92.7	Very high	100 Å²	100	52.6 Å²	52.6	47%	0.467	25%	0.249	S	C	.	.	H	α-helix	trans	-74.1	-34.8	177.9	-64.6	165.9	129	0	0	111.6	M272 S273 K278 H279 V280	M272-E276 HydrophobicContact CB-CB 4.24Å; M272-E276 HydrophobicContact CE-CB 3.56Å; M272-E276 HydrophobicContact CE-CG 4.2Å; M272-E276 HydrophobicContact SD-CB 4.5Å; S273-E276 WeakPolarHBondContact CB-OE2 3.18Å; S273-E276 PolarHBondContact N-OE2 3.12Å; S273-E276 PolarHBondContact O-N 3.2Å; S273-E276 VanDerWaalsContact OG-CD 3.27Å; S273-E276 VanDerWaalsContact OG-CG 3.28Å; S273-E276 WeakPolarHBondContact OG-CG 3.35Å; S273-E276 PolarHBondContact OG-N 3.36Å; S273-E276 PolarHBondContact OG-OE2 3.34Å; E276-K278 PolarHBondContact O-N 2.96Å; E276-H279 PolarHBondContact O-N 3.33Å; E276-V280 PolarHBondContact O-N 3.48Å
277	R	92	Very high	92.9	Very high	113 Å²	113	52.1 Å²	52.1	43%	0.426	25%	0.247	S	C	.	.	H	α-helix	trans	-57	-33.7	178.4	-174	175.9	66	178.3	-2.3	112.6	T243 A269 S273 H279 V280	T243-R277 WeakPolarHBondContact CB-O 3.44Å; T243-R277 PolarHBondContact OG1-O 3.08Å; A269-R277 HydrophobicContact CB-CG 3.9Å; A269-R277 VanDerWaalsContact O-CD 3.31Å; A269-R277 WeakPolarHBondContact O-CD 3.49Å; S273-R277 VanDerWaalsContact O-CB 3.28Å; S273-R277 WeakPolarHBondContact O-CB 3.33Å; S273-R277 PolarHBondContact O-N 2.71Å; R277-H279 PolarHBondContact O-N 2.78Å; R277-V280 WeakPolarHBondContact O-CB 3.22Å; R277-V280 PolarHBondContact O-N 3.22Å; R277-V280 VanDerWaalsContact O-N 3.1Å
278	K	92.9	Very high	93.3	Very high	67 Å²	67	52.4 Å²	52.4	29%	0.291	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-33.1	176	-72.9	175.9	179.1	-173.7	0	113.4	T243 E244 E274 E276	T243-K278 WeakPolarHBondContact CB-O 3.26Å; T243-K278 PolarHBondContact N-O 3.27Å; E244-K278 HydrophobicContact CB-CB 4.03Å; E244-K278 HydrophobicContact CB-CG 4.43Å; E244-K278 PolarHBondContact N-O 3.08Å; E244-K278 IonicContact OE1-NZ 3.88Å; E274-K278 PolarHBondContact O-N 3.42Å; E276-K278 PolarHBondContact O-N 2.96Å
279	H	93.7	Very high	93.7	Very high	75 Å²	75	52.9 Å²	52.9	35%	0.347	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.7	7.6	-177.4	-52	88.6	0	0	0	112.1	Q275 E276 R277 D281	Q275-H279 PolarHBondContact O-CE1 3.34Å; Q275-H279 PolarHBondContact O-ND1 3.32Å; E276-H279 PolarHBondContact O-N 3.33Å; R277-H279 PolarHBondContact O-N 2.78Å; H279-D281 PolarHBondContact O-N 3.02Å
280	V	96.1	Very high	94.3	Very high	2 Å²	2	58.4 Å²	58.4	1%	0.012	28%	0.28	C	S	.	.			trans	-78.7	121.7	171.3	178.2	0	0	0	0	108.2	T243 P265 K266 R268 A269 M272 E276 R277	T243-V280 PolarHBondContact N-O 2.91Å; T243-V280 PolarHBondContact OG1-O 2.79Å; P265-V280 HydrophobicContact CB-CB 4.48Å; P265-V280 HydrophobicContact CB-CG1 4Å; K266-V280 HydrophobicContact CB-CG1 4.1Å; R268-V280 HydrophobicContact CG-CG1 4Å; R268-V280 HydrophobicContact CG-CG2 4.27Å; A269-V280 HydrophobicContact CB-CB 4.21Å; A269-V280 HydrophobicContact CB-CG1 3.99Å; A269-V280 HydrophobicContact CB-CG2 4.33Å; M272-V280 HydrophobicContact SD-CG2 3.62Å; E276-V280 PolarHBondContact O-N 3.48Å; R277-V280 WeakPolarHBondContact O-CB 3.22Å; R277-V280 PolarHBondContact O-N 3.22Å; R277-V280 VanDerWaalsContact O-N 3.1Å
281	D	97.1	Very high	94.8	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	161.3	175.9	71.7	-63.3	0	0	0	112.6	C198 V241 E242 K266 R268 H279	C198-D281 HydrophobicContact CB-CB 4.09Å; V241-D281 CarbonylContact O-C 3.58Å; V241-D281 VanDerWaalsContact O-CA 3.24Å; V241-D281 WeakPolarHBondContact O-CA 3.39Å; E242-D281 HydrophobicContact CG-CB 4.44Å; K266-D281 WeakPolarHBondContact CE-O 3.3Å; K266-D281 WeakPolarHBondContact CE-OD1 3.46Å; K266-D281 WeakPolarHBondContact CE-OD2 3.49Å; K266-D281 PolarHBondContact N-O 3.25Å; K266-D281 IonicContact NZ-OD1 2.88Å; K266-D281 PolarHBondContact NZ-OD1 2.64Å; K266-D281 IonicContact NZ-OD2 3.94Å; K266-D281 PolarHBondContact NZ-OD2 2.74Å; R268-D281 IonicContact CZ-OD1 2.64Å; R268-D281 IonicContact NH2-OD1 3.8Å; R268-D281 PolarHBondContact NH2-OD1 3.33Å; H279-D281 PolarHBondContact O-N 3.02Å
282	G	97.8	Very high	95.3	Very high	2 Å²	2	46.6 Å²	46.6	2%	0.021	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.9	-158.5	178.3	0	0	0	0	0	113	E240 V241 S264	E240-G282 PolarHBondContact N-O 3.08Å; V241-G282 PolarHBondContact N-O 2.77Å; V241-G282 PolarHBondContact O-N 2.99Å; S264-G282 WeakPolarHBondContact O-CA 3.33Å
283	C	98.6	Very high	95.7	Very high	1 Å²	1	46.5 Å²	46.5	1%	0.007	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	138.9	-176.8	-64.3	0	0	0	0	111.1	L238 F263 S264 V328	L238-C283 WeakPolarHBondContact O-CA 3.34Å; F263-C283 WeakPolarHBondContact CA-O 3.24Å; F263-C283 WeakPolarHBondContact CD2-O 3.41Å; S264-C283 PolarHBondContact N-O 2.86Å; S264-C283 VanDerWaalsContact N-O 3.17Å; S264-C283 PolarHBondContact O-N 2.87Å; S264-C283 VanDerWaalsContact O-N 3.17Å; C283-V328 HydrophobicContact CB-CG1 4.32Å; C283-V328 HydrophobicContact CB-CG2 3.7Å
284	A	98.8	Very high	95.9	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	146.7	174.2	0	0	0	0	0	111.3	S237 L238 V241 Y246 F262 F263 F286 N359	S237-A284 WeakPolarHBondContact CA-O 3.24Å; L238-A284 HydrophobicContact CB-CB 4.47Å; L238-A284 PolarHBondContact N-O 2.84Å; L238-A284 PolarHBondContact O-N 2.9Å; V241-A284 HydrophobicContact CG2-CB 4.15Å; Y246-A284 HydrophobicContact CD2-CB 4.06Å; Y246-A284 HydrophobicContact CE2-CB 4.08Å; F262-A284 CarbonylContact O-C 3.55Å; F262-A284 VanDerWaalsContact O-CA 3.25Å; F262-A284 WeakPolarHBondContact O-CA 3.2Å; F263-A284 HydrophobicContact CB-CB 4.29Å; F263-A284 HydrophobicContact CD2-CB 4.13Å; A284-F286 HydrophobicContact CB-CD2 4.37Å; A284-F286 HydrophobicContact CB-CE2 3.65Å; A284-F286 HydrophobicContact CB-CZ 4.17Å; A284-N359 PolarHBondContact O-ND2 2.93Å
285	I	98.9	Very high	96.2	Very high	0 Å²	0	43 Å²	43	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	123.7	167.6	-59.1	172.1	0	0	0	107.8	I235 V236 G261 F262 V328 V330 V357 N359	I235-I285 HydrophobicContact CG2-CG2 4.27Å; V236-I285 CarbonylContact O-C 3.57Å; V236-I285 WeakPolarHBondContact O-CA 3.06Å; G261-I285 CarbonylContact C-O 3.58Å; G261-I285 WeakPolarHBondContact CA-O 3.39Å; F262-I285 PolarHBondContact N-O 2.81Å; F262-I285 PolarHBondContact O-N 2.72Å; I285-V328 HydrophobicContact CD1-CG2 3.89Å; I285-V328 HydrophobicContact CG1-CG2 3.96Å; I285-V330 HydrophobicContact CB-CG2 4.21Å; I285-V330 HydrophobicContact CD1-CG1 4.43Å; I285-V330 HydrophobicContact CD1-CG2 3.94Å; I285-V330 HydrophobicContact CG2-CG2 3.7Å; I285-V357 HydrophobicContact CD1-CB 4.49Å; I285-V357 HydrophobicContact CD1-CG1 4.12Å; I285-V357 WeakPolarHBondContact CD1-O 3.34Å; I285-V357 HydrophobicContact CG2-CG1 4.08Å; I285-N359 HydrophobicContact CD1-CB 3.72Å; I285-N359 HydrophobicContact CG1-CB 3.6Å
286	F	98.9	Very high	96.6	Very high	0 Å²	0	40 Å²	40	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	148.7	170.7	-56.3	-92.6	0	0	0	110.1	I235 V236 L238 Y246 F250 L251 L254 Y259 N260 A284	I235-F286 CarbonylContact C-O 3.54Å; I235-F286 WeakPolarHBondContact CA-O 3.46Å; V236-F286 HydrophobicContact CB-CB 4.24Å; V236-F286 PolarHBondContact N-O 2.85Å; V236-F286 PolarHBondContact O-N 2.86Å; L238-F286 HydrophobicContact CD1-CD2 4.41Å; L238-F286 HydrophobicContact CD1-CE2 3.88Å; L238-F286 HydrophobicContact CG-CE2 4.4Å; Y246-F286 HydrophobicContact CD2-CE1 4.35Å; Y246-F286 AromaticContact CD2-CZ 3.72Å; Y246-F286 HydrophobicContact CD2-CZ 3.72Å; Y246-F286 AromaticContact CE2-CE1 3.67Å; Y246-F286 HydrophobicContact CE2-CE1 3.67Å; Y246-F286 HydrophobicContact CE2-CE2 4.32Å; Y246-F286 AromaticContact CE2-CZ 3.41Å; Y246-F286 HydrophobicContact CE2-CZ 3.41Å; Y246-F286 VanDerWaalsContact CE2-CZ 3.41Å; F250-F286 HydrophobicContact CB-CE2 4.49Å; F250-F286 HydrophobicContact CB-CZ 3.82Å; L251-F286 HydrophobicContact CB-CE1 4.44Å; L251-F286 HydrophobicContact CD1-CE1 4.08Å; L254-F286 HydrophobicContact CB-CD1 4.29Å; L254-F286 HydrophobicContact CD1-CB 4.21Å; L254-F286 HydrophobicContact CD1-CD1 3.6Å; L254-F286 HydrophobicContact CD1-CD2 3.68Å; L254-F286 HydrophobicContact CD1-CE1 3.77Å; L254-F286 HydrophobicContact CD1-CE2 3.84Å; L254-F286 HydrophobicContact CD1-CG 3.55Å; L254-F286 HydrophobicContact CD1-CZ 3.88Å; Y259-F286 HydrophobicContact CD1-CB 3.92Å; N260-F286 CarbonylContact O-C 3.59Å; N260-F286 VanDerWaalsContact O-CA 3.24Å; N260-F286 WeakPolarHBondContact O-CA 3.41Å; A284-F286 HydrophobicContact CB-CD2 4.37Å; A284-F286 HydrophobicContact CB-CE2 3.65Å; A284-F286 HydrophobicContact CB-CZ 4.17Å
287	F	98.8	Very high	96.9	Very high	2 Å²	2	41.5 Å²	41.5	1%	0.009	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	142.9	178.7	50.6	-88.1	0	0	0	110.3	D234 I235 Y259 N260 T289 F292 L294 L332	D234-F287 CarbonylContact O-C 3.41Å; D234-F287 VanDerWaalsContact O-CA 3.31Å; D234-F287 WeakPolarHBondContact O-CA 2.86Å; I235-F287 HydrophobicContact CG1-CB 4.29Å; Y259-F287 WeakPolarHBondContact CA-O 3.2Å; N260-F287 HydrophobicContact CB-CE2 3.92Å; N260-F287 HydrophobicContact CB-CZ 3.96Å; N260-F287 PolarHBondContact N-O 3.18Å; N260-F287 PolarHBondContact O-N 2.98Å; F287-T289 PolarHBondContact O-N 2.61Å; F287-F292 HydrophobicContact CB-CB 4.36Å; F287-F292 HydrophobicContact CB-CD2 4.26Å; F287-F292 HydrophobicContact CD2-CB 4Å; F287-F292 HydrophobicContact CG-CB 4.49Å; F287-L294 HydrophobicContact CE1-CD1 4.24Å; F287-L294 HydrophobicContact CE2-CB 4.12Å; F287-L294 HydrophobicContact CZ-CB 3.7Å; F287-L294 HydrophobicContact CZ-CD1 4.15Å; F287-L294 HydrophobicContact CZ-CD2 4.31Å; F287-L294 HydrophobicContact CZ-CG 4.27Å; F287-L332 HydrophobicContact CB-CD1 3.99Å; F287-L332 HydrophobicContact CD1-CD1 4.33Å; F287-L332 HydrophobicContact CD1-CD2 3.82Å; F287-L332 HydrophobicContact CD2-CD2 4.03Å; F287-L332 HydrophobicContact CE1-CD2 3.95Å; F287-L332 HydrophobicContact CE2-CD2 4.13Å; F287-L332 HydrophobicContact CG-CD1 4.09Å; F287-L332 HydrophobicContact CG-CD2 3.89Å; F287-L332 HydrophobicContact CZ-CD2 4.13Å
288	K	98.5	Very high	97.2	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	-69.4	123.6	176.5	-69.2	-172.1	-174.2	164.2	0	111	N232 D234 Y259 E290 K291 F292	N232-K288 PolarHBondContact O-NZ 2.86Å; N232-K288 VanDerWaalsContact O-NZ 3.13Å; N232-K288 VanDerWaalsContact OD1-CE 3.27Å; N232-K288 WeakPolarHBondContact OD1-CE 3.16Å; N232-K288 PolarHBondContact OD1-NZ 3.09Å; D234-K288 PolarHBondContact O-N 2.9Å; D234-K288 WeakPolarHBondContact OD1-CD 3.33Å; D234-K288 IonicContact OD1-NZ 2.72Å; D234-K288 PolarHBondContact OD1-NZ 2.74Å; Y259-K288 HydrophobicContact CD1-CG 4.03Å; Y259-K288 HydrophobicContact CD2-CG 4.43Å; Y259-K288 HydrophobicContact CE1-CG 3.62Å; Y259-K288 HydrophobicContact CE2-CG 4.07Å; Y259-K288 HydrophobicContact CG-CG 4.42Å; Y259-K288 WeakPolarHBondContact OH-CE 3.43Å; K288-E290 HydrophobicContact CB-CG 4.18Å; K288-E290 WeakPolarHBondContact CD-OE1 3.43Å; K288-E290 PolarHBondContact O-N 3.44Å; K288-K291 PolarHBondContact O-N 3.24Å; K288-K291 VanDerWaalsContact O-N 3.16Å; K288-F292 PolarHBondContact O-N 2.75Å
289	T	97.7	Very high	97.4	Very high	54 Å²	54	38 Å²	38	33%	0.331	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-18.9	-177.2	58	0	0	0	0	113.8	G258 N260 F287 K291 F292 R335	G258-T289 PolarHBondContact O-N 3.35Å; G258-T289 PolarHBondContact O-OG1 2.8Å; N260-T289 HydrophobicContact CB-CG2 3.59Å; F287-T289 PolarHBondContact O-N 2.61Å; T289-K291 VanDerWaalsContact C-N 3.31Å; T289-F292 WeakPolarHBondContact CA-O 3.14Å; T289-R335 VanDerWaalsContact O-CZ 3.24Å; T289-R335 PolarHBondContact O-NE 3.12Å; T289-R335 PolarHBondContact O-NH2 3.23Å
290	E	96.5	Very high	97.6	Very high	124 Å²	124	34.8 Å²	34.8	58%	0.579	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-23.4	174.1	75.7	-169.8	179.5	0	0	113	K288 R335	K288-E290 HydrophobicContact CB-CG 4.18Å; K288-E290 WeakPolarHBondContact CD-OE1 3.43Å; K288-E290 PolarHBondContact O-N 3.44Å; E290-R335 WeakPolarHBondContact O-CD 3.26Å
291	K	96.5	Very high	97.6	Very high	45 Å²	45	35.3 Å²	35.3	20%	0.196	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.6	-32.3	177.8	-65.2	-162.7	178.4	-175.5	0	113.1	L188 D234 K288 T289 R335	L188-K291 PolarHBondContact O-NZ 3.22Å; D234-K291 HydrophobicContact CB-CD 4.18Å; D234-K291 VanDerWaalsContact CG-NZ 3.26Å; D234-K291 WeakPolarHBondContact OD1-CE 3.37Å; D234-K291 IonicContact OD1-NZ 3.77Å; D234-K291 PolarHBondContact OD1-NZ 2.87Å; D234-K291 IonicContact OD2-NZ 3.75Å; D234-K291 PolarHBondContact OD2-NZ 2.76Å; K288-K291 PolarHBondContact O-N 3.24Å; K288-K291 VanDerWaalsContact O-N 3.16Å; T289-K291 VanDerWaalsContact C-N 3.31Å; K291-R335 WeakPolarHBondContact O-CB 3.5Å; K291-R335 WeakPolarHBondContact O-CG 3.36Å; K291-R335 PolarHBondContact O-N 3.46Å
292	F	97.8	Very high	97.5	Very high	3 Å²	3	35.3 Å²	35.3	1%	0.013	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	144.9	-171.4	-59.1	-74.7	0	0	0	112.9	F189 D234 I235 F287 K288 T289 L332 E333 L334 I355	F189-F292 HydrophobicContact CB-CE2 4.42Å; F189-F292 HydrophobicContact CB-CZ 3.97Å; F189-F292 HydrophobicContact CD1-CZ 4.5Å; F189-F292 HydrophobicContact CD2-CZ 4.24Å; F189-F292 AromaticContact CG-CZ 3.98Å; F189-F292 HydrophobicContact CG-CZ 3.98Å; D234-F292 HydrophobicContact CB-CE2 4.06Å; I235-F292 HydrophobicContact CD1-CE1 4.41Å; I235-F292 HydrophobicContact CD1-CE2 3.9Å; I235-F292 HydrophobicContact CD1-CZ 3.81Å; I235-F292 HydrophobicContact CG1-CD2 4.28Å; I235-F292 HydrophobicContact CG1-CE2 3.85Å; I235-F292 HydrophobicContact CG1-CZ 4.29Å; F287-F292 HydrophobicContact CB-CB 4.36Å; F287-F292 HydrophobicContact CB-CD2 4.26Å; F287-F292 HydrophobicContact CD2-CB 4Å; F287-F292 HydrophobicContact CG-CB 4.49Å; K288-F292 PolarHBondContact O-N 2.75Å; T289-F292 WeakPolarHBondContact CA-O 3.14Å; F292-L332 HydrophobicContact CB-CB 4.25Å; F292-L332 HydrophobicContact CB-CD1 4.17Å; F292-L332 HydrophobicContact CD1-CB 4.04Å; F292-L332 HydrophobicContact CD1-CD1 4.17Å; F292-L332 HydrophobicContact CG-CB 4.45Å; F292-L332 HydrophobicContact CG-CD1 4.08Å; F292-E333 CarbonylContact C-O 3.49Å; F292-E333 WeakPolarHBondContact CA-O 3.37Å; F292-L334 HydrophobicContact CD1-CD1 4.18Å; F292-L334 HydrophobicContact CE1-CD1 3.66Å; F292-L334 HydrophobicContact CZ-CD1 4.24Å; F292-I355 HydrophobicContact CD1-CG2 4.33Å; F292-I355 HydrophobicContact CE1-CG2 4.05Å
293	T	97.1	Very high	97.3	Very high	58 Å²	58	37 Å²	37	36%	0.356	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	130.6	169.5	-55.1	0	0	0	0	109.6	V295 L332 E333	T293-V295 PolarHBondContact O-N 3.13Å; T293-L332 CarbonylContact O-C 3.53Å; T293-L332 WeakPolarHBondContact O-CA 3.36Å; T293-E333 PolarHBondContact N-O 2.83Å; T293-E333 PolarHBondContact O-N 2.85Å
294	L	97.6	Very high	97.1	Very high	59 Å²	59	41 Å²	41	31%	0.309	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	125.7	178.1	-175.7	65	0	0	0	110.9	F287 Q296 V330 L332	F287-L294 HydrophobicContact CE1-CD1 4.24Å; F287-L294 HydrophobicContact CE2-CB 4.12Å; F287-L294 HydrophobicContact CZ-CB 3.7Å; F287-L294 HydrophobicContact CZ-CD1 4.15Å; F287-L294 HydrophobicContact CZ-CD2 4.31Å; F287-L294 HydrophobicContact CZ-CG 4.27Å; L294-Q296 WeakPolarHBondContact CD1-O 3.4Å; L294-V330 HydrophobicContact CD1-CB 3.8Å; L294-V330 HydrophobicContact CD1-CG1 3.99Å; L294-L332 HydrophobicContact CD1-CD2 3.91Å
295	V	95.8	Very high	96.8	Very high	63 Å²	63	42.4 Å²	42.4	38%	0.382	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	-49	176.1	-171.6	0	0	0	0	110.7	T293 L331 E333 L354	T293-V295 PolarHBondContact O-N 3.13Å; V295-L331 HydrophobicContact CB-CB 4.4Å; V295-L331 HydrophobicContact CB-CD2 4.21Å; V295-L331 HydrophobicContact CB-CG 4.23Å; V295-L331 WeakPolarHBondContact CB-O 3.4Å; V295-L331 HydrophobicContact CG1-CD2 4.16Å; V295-L331 PolarHBondContact N-O 2.95Å; V295-E333 HydrophobicContact CG2-CB 3.68Å; V295-L354 HydrophobicContact CG2-CD2 4.04Å
296	Q	96.4	Very high	96.4	Very high	57 Å²	57	42.4 Å²	42.4	27%	0.266	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	155	180	-59.3	-178	-3.7	0	0	111.2	L294 H298 V330 L331	L294-Q296 WeakPolarHBondContact CD1-O 3.4Å; Q296-H298 PolarHBondContact OE1-NE2 2.79Å; Q296-V330 WeakPolarHBondContact O-CA 3.38Å; Q296-L331 HydrophobicContact CB-CB 4.01Å; Q296-L331 HydrophobicContact CB-CD2 4.41Å; Q296-L331 HydrophobicContact CG-CD2 4.19Å; Q296-L331 PolarHBondContact N-O 3.16Å; Q296-L331 PolarHBondContact O-N 3.49Å
297	K	97.6	Very high	96	Very high	131 Å²	131	47.9 Å²	47.9	57%	0.57	24%	0.242	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-133.6	137.7	175.4	63.1	-170.6	-175.8	174.4	0	109.3	F262 A329 V330	F262-K297 HydrophobicContact CD1-CB 4.02Å; F262-K297 HydrophobicContact CD2-CB 3.96Å; F262-K297 HydrophobicContact CD2-CD 3.62Å; F262-K297 HydrophobicContact CD2-CG 4.21Å; F262-K297 HydrophobicContact CE1-CB 4.05Å; F262-K297 HydrophobicContact CE2-CB 4.01Å; F262-K297 HydrophobicContact CE2-CD 3.7Å; F262-K297 HydrophobicContact CE2-CG 4.02Å; F262-K297 HydrophobicContact CG-CB 3.95Å; F262-K297 HydrophobicContact CG-CD 4.36Å; F262-K297 HydrophobicContact CZ-CB 4.04Å; F262-K297 HydrophobicContact CZ-CD 4.48Å; F262-K297 HydrophobicContact CZ-CG 4.33Å; K297-A329 CarbonylContact C-O 3.56Å; K297-A329 WeakPolarHBondContact CA-O 3.35Å; K297-V330 HydrophobicContact CB-CG1 4.39Å
298	H	98.1	Very high	95.5	Very high	56 Å²	56	51.5 Å²	51.5	26%	0.259	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	138.6	-175.4	-62.3	-82.8	0	0	0	109.9	F262 Q296 V328 A329 I386	F262-H298 WeakPolarHBondContact CE1-O 3.19Å; Q296-H298 PolarHBondContact OE1-NE2 2.79Å; H298-V328 CarbonylContact O-C 3.55Å; H298-V328 WeakPolarHBondContact O-CA 3.47Å; H298-A329 PolarHBondContact N-O 3.27Å; H298-A329 PolarHBondContact O-N 3.26Å; H298-I386 HydrophobicContact CB-CD1 3.58Å; H298-I386 HydrophobicContact CB-CG1 4.39Å
299	T	98.1	Very high	95	Very high	51 Å²	51	52.6 Å²	52.6	31%	0.313	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	131.3	168.5	-60.3	0	0	0	0	107.8	S264 E301	S264-T299 VanDerWaalsContact CB-OG1 3.27Å; S264-T299 WeakPolarHBondContact CB-OG1 3.32Å; S264-T299 WeakPolarHBondContact OG-CG2 3.49Å; S264-T299 PolarHBondContact OG-OG1 3.24Å; S264-T299 VanDerWaalsContact OG-OG1 3.08Å; T299-E301 HydrophobicContact CG2-CG 4.04Å
300	V	97.4	Very high	94.4	Very high	7 Å²	7	50.9 Å²	50.9	4%	0.042	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	111.6	177	-174	0	0	0	0	108.2	F302 L305 I326 G327 F379 E382	V300-F302 HydrophobicContact CB-CE1 4.38Å; V300-F302 HydrophobicContact CG1-CD1 4.01Å; V300-F302 HydrophobicContact CG1-CE1 3.84Å; V300-L305 HydrophobicContact CG1-CD1 3.5Å; V300-L305 VanDerWaalsContact CG1-CD1 3.5Å; V300-I326 WeakPolarHBondContact O-CA 3.22Å; V300-G327 PolarHBondContact N-O 2.95Å; V300-G327 PolarHBondContact O-N 3.19Å; V300-F379 HydrophobicContact CB-CD2 3.91Å; V300-F379 HydrophobicContact CB-CE2 4.1Å; V300-F379 HydrophobicContact CG1-CD2 4.1Å; V300-F379 HydrophobicContact CG2-CD2 3.93Å; V300-F379 HydrophobicContact CG2-CE2 3.87Å; V300-E382 HydrophobicContact CG1-CB 4.06Å; V300-E382 HydrophobicContact CG1-CG 4.05Å; V300-E382 HydrophobicContact CG2-CB 4Å
301	E	96.1	Very high	93.7	Very high	14 Å²	14	53.4 Å²	53.4	7%	0.065	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	107.9	179	-62.8	-173.6	-179.9	0	0	109.5	S267 R270 T299 N303 Q304 L305 I326	S267-E301 WeakPolarHBondContact OG-CG 3.32Å; R270-E301 IonicContact CZ-OE1 3.16Å; R270-E301 IonicContact CZ-OE2 3.41Å; R270-E301 IonicContact NE-OE1 3.26Å; R270-E301 PolarHBondContact NE-OE1 3.46Å; R270-E301 IonicContact NE-OE2 3.75Å; R270-E301 IonicContact NH1-OE2 3.77Å; R270-E301 VanDerWaalsContact NH2-CD 3.3Å; R270-E301 IonicContact NH2-OE1 2.64Å; R270-E301 PolarHBondContact NH2-OE1 2.94Å; R270-E301 IonicContact NH2-OE2 3.37Å; R270-E301 PolarHBondContact NH2-OE2 2.98Å; T299-E301 HydrophobicContact CG2-CG 4.04Å; E301-N303 VanDerWaalsContact C-N 3.29Å; E301-N303 PolarHBondContact O-N 3.23Å; E301-Q304 HydrophobicContact CB-CB 4.37Å; E301-Q304 HydrophobicContact CB-CG 4.38Å; E301-Q304 PolarHBondContact O-N 2.6Å; E301-Q304 PolarHBondContact OE2-NE2 2.91Å; E301-L305 PolarHBondContact O-N 3.03Å; E301-I326 HydrophobicContact CG-CG2 4.14Å
302	F	95.8	Very high	92.7	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-65.7	-32.3	-171.1	-56.3	-39.6	0	0	0	112.8	V300 Q304 L305 A306 N325 A360 M362 Q375 M378 F379	V300-F302 HydrophobicContact CB-CE1 4.38Å; V300-F302 HydrophobicContact CG1-CD1 4.01Å; V300-F302 HydrophobicContact CG1-CE1 3.84Å; F302-Q304 PolarHBondContact O-N 3.02Å; F302-L305 PolarHBondContact O-N 3.45Å; F302-A306 VanDerWaalsContact O-CB 3.26Å; F302-A306 WeakPolarHBondContact O-CB 3.46Å; F302-A306 PolarHBondContact O-N 2.93Å; F302-N325 HydrophobicContact CD2-CB 3.71Å; F302-N325 VanDerWaalsContact CD2-O 3.27Å; F302-N325 WeakPolarHBondContact CD2-O 3.4Å; F302-N325 HydrophobicContact CE2-CB 4.1Å; F302-N325 PolarHBondContact N-O 2.92Å; F302-A360 HydrophobicContact CZ-CB 4.45Å; F302-M362 HydrophobicContact CE2-SD 3.71Å; F302-M362 HydrophobicContact CZ-CE 4.21Å; F302-M362 HydrophobicContact CZ-SD 3.99Å; F302-Q375 HydrophobicContact CB-CG 4.06Å; F302-Q375 HydrophobicContact CD2-CB 3.92Å; F302-Q375 HydrophobicContact CD2-CG 3.71Å; F302-Q375 HydrophobicContact CE2-CB 4.15Å; F302-Q375 HydrophobicContact CE2-CG 4.4Å; F302-Q375 HydrophobicContact CG-CB 4.24Å; F302-Q375 HydrophobicContact CG-CG 3.99Å; F302-M378 HydrophobicContact CB-SD 4.41Å; F302-M378 HydrophobicContact CD1-CB 4.36Å; F302-F379 HydrophobicContact CE1-CB 3.67Å; F302-F379 AromaticContact CE1-CD2 3.92Å; F302-F379 HydrophobicContact CE1-CD2 3.92Å; F302-F379 HydrophobicContact CE1-CG 4.06Å; F302-F379 HydrophobicContact CZ-CB 4Å; F302-F379 HydrophobicContact CZ-CD2 4.19Å; F302-F379 HydrophobicContact CZ-CG 4.15Å
303	N	93.7	Very high	92.1	Very high	36 Å²	36	55 Å²	55	19%	0.193	31%	0.309	C	S	.	.	H	α-helix	trans	-63.2	-40	175.5	58.5	-3.5	0	0	0	113.4	E301 A306 M307 M321 K323	E301-N303 VanDerWaalsContact C-N 3.29Å; E301-N303 PolarHBondContact O-N 3.23Å; N303-A306 PolarHBondContact O-N 2.81Å; N303-M307 WeakPolarHBondContact O-CB 3.39Å; N303-M307 PolarHBondContact O-N 2.98Å; N303-M321 WeakPolarHBondContact CB-O 3.44Å; N303-K323 WeakPolarHBondContact CB-O 3.39Å
304	Q	92.6	Very high	91.6	Very high	87 Å²	87	59.4 Å²	59.4	41%	0.407	33%	0.326	S	S	.	.	H	α-helix	trans	-69.2	-39.6	177.6	-72.9	179.7	13.3	0	0	111.2	E301 F302 M307 A308	E301-Q304 HydrophobicContact CB-CB 4.37Å; E301-Q304 HydrophobicContact CB-CG 4.38Å; E301-Q304 PolarHBondContact O-N 2.6Å; E301-Q304 PolarHBondContact OE2-NE2 2.91Å; F302-Q304 PolarHBondContact O-N 3.02Å; Q304-M307 PolarHBondContact O-N 2.87Å; Q304-A308 WeakPolarHBondContact O-CB 3.45Å; Q304-A308 PolarHBondContact O-N 2.91Å
305	L	92.4	Very high	91.2	Very high	29 Å²	29	57.3 Å²	57.3	15%	0.152	32%	0.317	C	S	.	.	H	α-helix	trans	-65.5	-41.9	173.7	-68.3	177.1	0	0	0	112.1	V300 E301 F302 A308 N309 M378 E382	V300-L305 HydrophobicContact CG1-CD1 3.5Å; V300-L305 VanDerWaalsContact CG1-CD1 3.5Å; E301-L305 PolarHBondContact O-N 3.03Å; F302-L305 PolarHBondContact O-N 3.45Å; L305-A308 PolarHBondContact O-N 3.15Å; L305-N309 WeakPolarHBondContact O-CB 3.42Å; L305-N309 PolarHBondContact O-N 3.02Å; L305-N309 VanDerWaalsContact O-N 3.09Å; L305-N309 PolarHBondContact O-ND2 2.95Å; L305-M378 HydrophobicContact CB-CG 4.38Å; L305-M378 HydrophobicContact CB-SD 4.03Å; L305-M378 HydrophobicContact CD1-CB 3.96Å; L305-E382 HydrophobicContact CD1-CG 3.62Å; L305-E382 HydrophobicContact CD2-CG 3.97Å; L305-E382 HydrophobicContact CG-CG 4.43Å
306	A	91.7	Very high	90.9	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-59.5	-47.5	174.7	0	0	0	0	0	111	F302 N303 A308 N309 S310 M316 V320 M321 M378	F302-A306 VanDerWaalsContact O-CB 3.26Å; F302-A306 WeakPolarHBondContact O-CB 3.46Å; F302-A306 PolarHBondContact O-N 2.93Å; N303-A306 PolarHBondContact O-N 2.81Å; A306-A308 VanDerWaalsContact C-N 3.35Å; A306-A308 PolarHBondContact O-N 2.81Å; A306-N309 CarbonylContact O-C 3.52Å; A306-N309 PolarHBondContact O-N 3.5Å; A306-S310 WeakPolarHBondContact O-CA 3.49Å; A306-S310 VanDerWaalsContact O-CB 3.22Å; A306-S310 WeakPolarHBondContact O-CB 3.35Å; A306-S310 PolarHBondContact O-N 2.89Å; A306-M316 HydrophobicContact CB-CG 4.1Å; A306-M316 HydrophobicContact CB-SD 3.97Å; A306-V320 HydrophobicContact CB-CB 4.22Å; A306-V320 HydrophobicContact CB-CG1 3.88Å; A306-M321 HydrophobicContact CB-CB 3.97Å; A306-M378 VanDerWaalsContact CA-CE 3.47Å; A306-M378 HydrophobicContact CB-CE 3.71Å; A306-M378 HydrophobicContact CB-SD 4.44Å
307	M	89.3	Confident	90.5	Very high	115 Å²	115	54.7 Å²	54.7	57%	0.567	30%	0.302	S	S	*	.	H	α-helix	trans	-61.9	-39.9	177	-175	177.3	66.6	0	0	112.5	N303 Q304 N309 S310 M321	N303-M307 WeakPolarHBondContact O-CB 3.39Å; N303-M307 PolarHBondContact O-N 2.98Å; Q304-M307 PolarHBondContact O-N 2.87Å; M307-N309 VanDerWaalsContact C-N 3.26Å; M307-N309 PolarHBondContact O-N 3.36Å; M307-S310 PolarHBondContact O-OG 2.75Å; M307-S310 VanDerWaalsContact O-OG 3.1Å; M307-M321 HydrophobicContact CB-CG 4.14Å; M307-M321 HydrophobicContact CB-SD 4.04Å; M307-M321 HydrophobicContact CG-SD 4.19Å
308	A	89.6	Confident	90.2	Very high	78 Å²	78	53.4 Å²	53.4	65%	0.645	30%	0.302	S	S	*	.	H	α-helix	trans	-71.9	-19.9	179.2	0	0	0	0	0	113.5	Q304 L305 A306	Q304-A308 WeakPolarHBondContact O-CB 3.45Å; Q304-A308 PolarHBondContact O-N 2.91Å; L305-A308 PolarHBondContact O-N 3.15Å; A306-A308 VanDerWaalsContact C-N 3.35Å; A306-A308 PolarHBondContact O-N 2.81Å
309	N	87	Confident	90	Very high	37 Å²	37	53.3 Å²	53.3	20%	0.198	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123.5	21.2	-174.7	-65.5	-86.1	0	0	0	112.3	L305 A306 M307 E311 S445 N448 F449	L305-N309 WeakPolarHBondContact O-CB 3.42Å; L305-N309 PolarHBondContact O-N 3.02Å; L305-N309 VanDerWaalsContact O-N 3.09Å; L305-N309 PolarHBondContact O-ND2 2.95Å; A306-N309 CarbonylContact O-C 3.52Å; A306-N309 PolarHBondContact O-N 3.5Å; M307-N309 VanDerWaalsContact C-N 3.26Å; M307-N309 PolarHBondContact O-N 3.36Å; N309-E311 VanDerWaalsContact C-N 3.31Å; N309-S445 VanDerWaalsContact O-CB 3.27Å; N309-S445 WeakPolarHBondContact O-CB 3.3Å; N309-N448 WeakPolarHBondContact OD1-CB 3.47Å; N309-F449 HydrophobicContact CB-CE1 3.96Å; N309-F449 HydrophobicContact CB-CE2 4.31Å; N309-F449 HydrophobicContact CB-CZ 3.44Å; N309-F449 VanDerWaalsContact CB-CZ 3.44Å
310	S	85.4	Confident	89.7	Confident	19 Å²	19	50.9 Å²	50.9	13%	0.133	28%	0.284	C	S	.	.			trans	-86.1	0.8	-177.4	58.7	0	0	0	0	114.6	A306 M307 G312 S313 L317	A306-S310 WeakPolarHBondContact O-CA 3.49Å; A306-S310 VanDerWaalsContact O-CB 3.22Å; A306-S310 WeakPolarHBondContact O-CB 3.35Å; A306-S310 PolarHBondContact O-N 2.89Å; M307-S310 PolarHBondContact O-OG 2.75Å; M307-S310 VanDerWaalsContact O-OG 3.1Å; S310-G312 PolarHBondContact O-N 2.93Å; S310-G312 VanDerWaalsContact O-N 3.16Å; S310-S313 PolarHBondContact O-N 3.35Å; S310-L317 WeakPolarHBondContact OG-CD2 3.16Å
311	E	82	Confident	89.5	Confident	177 Å²	177	53.6 Å²	53.6	83%	0.827	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	122.3	-178.4	-166.4	173.4	-168.3	0	0	110.4	N309 S313	N309-E311 VanDerWaalsContact C-N 3.31Å; E311-S313 VanDerWaalsContact C-N 3.32Å; E311-S313 PolarHBondContact O-N 3.37Å
312	G	76	Confident	89.3	Confident	75 Å²	75	56.9 Å²	56.9	77%	0.773	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.9	3.8	-179.3	0	0	0	0	0	116.5	S310	S310-G312 PolarHBondContact O-N 2.93Å; S310-G312 VanDerWaalsContact O-N 3.16Å
313	S	84.9	Confident	89.3	Confident	5 Å²	5	58.3 Å²	58.3	4%	0.035	32%	0.324	C	S	.	.			trans	-128.1	102.4	179.7	-172	0	0	0	0	113.6	S310 E311 A315 M316 L317 R441	S310-S313 PolarHBondContact O-N 3.35Å; E311-S313 VanDerWaalsContact C-N 3.32Å; E311-S313 PolarHBondContact O-N 3.37Å; S313-A315 VanDerWaalsContact C-N 3.25Å; S313-A315 PolarHBondContact O-N 3.23Å; S313-M316 WeakPolarHBondContact O-CB 3.42Å; S313-M316 PolarHBondContact O-N 3.05Å; S313-M316 PolarHBondContact OG-N 3.36Å; S313-L317 PolarHBondContact O-N 3.39Å; S313-R441 PolarHBondContact OG-O 2.86Å
314	E	86.6	Confident	89.3	Confident	152 Å²	152	58.6 Å²	58.6	71%	0.71	33%	0.326	S	S	*	.	H	α-helix	trans	-62	-33.8	171	-66.5	-175.2	175	0	0	112.3	M316 L317 N318	E314-M316 VanDerWaalsContact C-N 3.32Å; E314-M316 PolarHBondContact O-N 3.15Å; E314-L317 PolarHBondContact O-N 3.2Å; E314-N318 WeakPolarHBondContact O-CB 3.22Å; E314-N318 VanDerWaalsContact O-CG 3.27Å; E314-N318 PolarHBondContact O-N 2.88Å; E314-N318 PolarHBondContact O-ND2 3Å
315	A	88.3	Confident	89.6	Confident	15 Å²	15	54.9 Å²	54.9	12%	0.124	31%	0.309	C	S	.	.	H	α-helix	trans	-62.6	-39.6	177.6	0	0	0	0	0	111.5	S313 L317 R319 L440 Y442	S313-A315 VanDerWaalsContact C-N 3.25Å; S313-A315 PolarHBondContact O-N 3.23Å; A315-L317 PolarHBondContact O-N 3.24Å; A315-R319 VanDerWaalsContact O-CB 3.29Å; A315-R319 WeakPolarHBondContact O-CB 3.36Å; A315-R319 PolarHBondContact O-N 2.77Å; A315-L440 HydrophobicContact CB-CB 4.27Å; A315-Y442 HydrophobicContact CB-CD1 4.1Å; A315-Y442 HydrophobicContact CB-CE1 3.5Å; A315-Y442 VanDerWaalsContact CB-CE1 3.5Å; A315-Y442 HydrophobicContact CB-CE2 4.38Å
316	M	89.4	Confident	89.8	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	30%	0.302	C	S	.	.	I	π-helix	trans	-59.8	-45.8	174.3	-167.2	67	71	0	0	111.8	A306 S313 E314 V320 M321 V374 M378 Y442 L446 F449	A306-M316 HydrophobicContact CB-CG 4.1Å; A306-M316 HydrophobicContact CB-SD 3.97Å; S313-M316 WeakPolarHBondContact O-CB 3.42Å; S313-M316 PolarHBondContact O-N 3.05Å; S313-M316 PolarHBondContact OG-N 3.36Å; E314-M316 VanDerWaalsContact C-N 3.32Å; E314-M316 PolarHBondContact O-N 3.15Å; M316-V320 WeakPolarHBondContact O-CB 2.98Å; M316-V320 PolarHBondContact O-N 3.09Å; M316-V320 HydrophobicContact SD-CB 3.79Å; M316-V320 HydrophobicContact SD-CG1 3.99Å; M316-V320 HydrophobicContact SD-CG2 3.85Å; M316-M321 PolarHBondContact O-N 2.89Å; M316-V374 HydrophobicContact CE-CG1 3.9Å; M316-V374 HydrophobicContact SD-CG1 3.91Å; M316-M378 HydrophobicContact CE-CE 4.06Å; M316-M378 HydrophobicContact SD-CE 3.39Å; M316-M378 WeakPolarHBondContact SD-CE 3.42Å; M316-Y442 HydrophobicContact CE-CD1 4.22Å; M316-L446 HydrophobicContact CE-CD2 4.11Å; M316-F449 HydrophobicContact CE-CE2 3.91Å
317	L	88.8	Confident	90.1	Very high	64 Å²	64	53.6 Å²	53.6	34%	0.335	30%	0.302	S	S	.	.	I	π-helix	trans	-67.9	-47.1	178.9	-71.4	173	0	0	0	112.6	S310 S313 E314 A315 M321	S310-L317 WeakPolarHBondContact OG-CD2 3.16Å; S313-L317 PolarHBondContact O-N 3.39Å; E314-L317 PolarHBondContact O-N 3.2Å; A315-L317 PolarHBondContact O-N 3.24Å; L317-M321 HydrophobicContact CD2-CE 4.39Å; L317-M321 HydrophobicContact CD2-SD 3.69Å; L317-M321 WeakPolarHBondContact O-CB 3.45Å
318	N	91.3	Very high	90.6	Very high	105 Å²	105	48.1 Å²	48.1	56%	0.561	28%	0.275	S	S	*	.	I	π-helix	trans	-81.1	-36.6	-169.8	-65.7	-25.4	0	0	0	112	E314 T322	E314-N318 WeakPolarHBondContact O-CB 3.22Å; E314-N318 VanDerWaalsContact O-CG 3.27Å; E314-N318 PolarHBondContact O-N 2.88Å; E314-N318 PolarHBondContact O-ND2 3Å; N318-T322 WeakPolarHBondContact O-CG2 3.42Å; N318-T322 PolarHBondContact O-OG1 2.88Å
319	R	93.4	Very high	91	Very high	54 Å²	54	44.4 Å²	44.4	20%	0.204	24%	0.244	C	C	.	.	I	π-helix	trans	-103.9	-43.7	-170.9	-58.9	177.8	59.3	77.5	-0	113.2	A315 T322 K323 E367 Y368 D370 V371	A315-R319 VanDerWaalsContact O-CB 3.29Å; A315-R319 WeakPolarHBondContact O-CB 3.36Å; A315-R319 PolarHBondContact O-N 2.77Å; R319-T322 PolarHBondContact O-OG1 2.68Å; R319-K323 WeakPolarHBondContact O-CG 3.32Å; R319-K323 PolarHBondContact O-NZ 3.05Å; R319-E367 PolarHBondContact NH2-O 3.45Å; R319-Y368 HydrophobicContact CB-CE1 4.42Å; R319-Y368 HydrophobicContact CG-CE1 4.48Å; R319-Y368 VanDerWaalsContact CZ-CD1 3.5Å; R319-Y368 VanDerWaalsContact CZ-CE1 3.44Å; R319-Y368 VanDerWaalsContact NH1-CE1 3.32Å; R319-D370 IonicContact CZ-OD1 2.69Å; R319-D370 IonicContact CZ-OD2 2.66Å; R319-D370 IonicContact NE-OD1 3.2Å; R319-D370 IonicContact NE-OD2 3.81Å; R319-D370 PolarHBondContact NE-OD2 2.84Å; R319-D370 IonicContact NH2-OD1 2.8Å; R319-D370 PolarHBondContact NH2-OD1 3.49Å; R319-D370 IonicContact NH2-OD2 2.69Å; R319-D370 PolarHBondContact NH2-OD2 3.14Å; R319-V371 HydrophobicContact CB-CG2 3.94Å
320	V	92.9	Very high	91.5	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	24%	0.235	C	C	.	.	I	π-helix	trans	-89.5	-51.4	-173.6	-171.3	0	0	0	0	111.9	A306 M316 T322 K323 V371 V374 M378 Y442	A306-V320 HydrophobicContact CB-CB 4.22Å; A306-V320 HydrophobicContact CB-CG1 3.88Å; M316-V320 WeakPolarHBondContact O-CB 2.98Å; M316-V320 PolarHBondContact O-N 3.09Å; M316-V320 HydrophobicContact SD-CB 3.79Å; M316-V320 HydrophobicContact SD-CG1 3.99Å; M316-V320 HydrophobicContact SD-CG2 3.85Å; V320-T322 PolarHBondContact O-N 3.44Å; V320-K323 PolarHBondContact O-N 2.84Å; V320-K323 VanDerWaalsContact O-N 3.08Å; V320-V371 HydrophobicContact CG2-CG2 4.09Å; V320-V374 HydrophobicContact CG1-CG1 4Å; V320-V374 HydrophobicContact CG2-CB 4.27Å; V320-V374 HydrophobicContact CG2-CG1 4.1Å; V320-M378 HydrophobicContact CG1-CE 4.04Å; V320-M378 HydrophobicContact CG1-SD 4.33Å; V320-Y442 HydrophobicContact CG2-CE1 4.3Å
321	M	92.4	Very high	92.1	Very high	64 Å²	64	41.8 Å²	41.8	32%	0.315	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-29.9	-177.5	-174.5	-163.7	74.8	0	0	112.8	N303 A306 M307 M316 L317 K323	N303-M321 WeakPolarHBondContact CB-O 3.44Å; A306-M321 HydrophobicContact CB-CB 3.97Å; M307-M321 HydrophobicContact CB-CG 4.14Å; M307-M321 HydrophobicContact CB-SD 4.04Å; M307-M321 HydrophobicContact CG-SD 4.19Å; M316-M321 PolarHBondContact O-N 2.89Å; L317-M321 HydrophobicContact CD2-CE 4.39Å; L317-M321 HydrophobicContact CD2-SD 3.69Å; L317-M321 WeakPolarHBondContact O-CB 3.45Å; M321-K323 PolarHBondContact O-N 3.37Å
322	T	92.9	Very high	92.8	Very high	82 Å²	82	33.4 Å²	33.4	50%	0.503	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-5.2	179.1	56.7	0	0	0	0	113.9	N318 R319 V320	N318-T322 WeakPolarHBondContact O-CG2 3.42Å; N318-T322 PolarHBondContact O-OG1 2.88Å; R319-T322 PolarHBondContact O-OG1 2.68Å; V320-T322 PolarHBondContact O-N 3.44Å
323	K	95.3	Very high	93.7	Very high	30 Å²	30	31.7 Å²	31.7	13%	0.13	16%	0.162	C	C	.	.			trans	-101.8	133.2	179.7	-53.9	-54.6	-179	-67.9	0	111	N303 R319 V320 M321 H363 V371	N303-K323 WeakPolarHBondContact CB-O 3.39Å; R319-K323 WeakPolarHBondContact O-CG 3.32Å; R319-K323 PolarHBondContact O-NZ 3.05Å; V320-K323 PolarHBondContact O-N 2.84Å; V320-K323 VanDerWaalsContact O-N 3.08Å; M321-K323 PolarHBondContact O-N 3.37Å; K323-H363 VanDerWaalsContact CE-CE1 3.49Å; K323-H363 WeakPolarHBondContact CE-CE1 3.12Å; K323-H363 WeakPolarHBondContact CE-NE2 3.39Å; K323-V371 HydrophobicContact CG-CG1 4.06Å
324	D	94.1	Very high	94.1	Very high	42 Å²	42	32 Å²	32	23%	0.225	16%	0.163	C	C	.	.			trans	-98.9	16.4	-172.9	70.9	-25.7	0	0	0	113.9	K266 S267 R268	K266-D324 WeakPolarHBondContact CB-O 3.5Å; K266-D324 WeakPolarHBondContact CG-O 3.2Å; S267-D324 PolarHBondContact N-O 2.67Å; R268-D324 HydrophobicContact CB-CB 4.47Å; R268-D324 WeakPolarHBondContact CB-OD2 3.46Å; R268-D324 WeakPolarHBondContact CD-OD2 3.47Å; R268-D324 WeakPolarHBondContact CG-OD2 3.18Å; R268-D324 IonicContact CZ-OD2 3.8Å; R268-D324 IonicContact NE-OD2 3.84Å; R268-D324 IonicContact NH1-OD1 3.64Å; R268-D324 IonicContact NH1-OD2 2.99Å; R268-D324 PolarHBondContact NH1-OD2 3.13Å
325	N	97.4	Very high	94.4	Very high	9 Å²	9	29.7 Å²	29.7	5%	0.048	15%	0.148	C	C	.	.			trans	-59.2	152.2	174.3	-64.8	95.6	0	0	0	111.5	F302 H361 M362 H363 Q375	F302-N325 HydrophobicContact CD2-CB 3.71Å; F302-N325 VanDerWaalsContact CD2-O 3.27Å; F302-N325 WeakPolarHBondContact CD2-O 3.4Å; F302-N325 HydrophobicContact CE2-CB 4.1Å; F302-N325 PolarHBondContact N-O 2.92Å; N325-H361 WeakPolarHBondContact CB-O 3.45Å; N325-H361 PolarHBondContact ND2-O 3.4Å; N325-M362 VanDerWaalsContact ND2-C 3.26Å; N325-M362 PolarHBondContact ND2-O 3.03Å; N325-H363 PolarHBondContact ND2-N 3.01Å; N325-Q375 PolarHBondContact OD1-NE2 2.89Å
326	I	97.6	Very high	94.2	Very high	2 Å²	2	34.6 Å²	34.6	1%	0.01	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	163.6	-177	61.4	156.1	0	0	0	111.5	S264 P265 K266 S267 V300 E301 V328 H361	S264-I326 WeakPolarHBondContact O-CD1 2.96Å; P265-I326 WeakPolarHBondContact O-CD1 3.42Å; K266-I326 HydrophobicContact CG-CG1 4.15Å; S267-I326 WeakPolarHBondContact OG-CG2 3.23Å; V300-I326 WeakPolarHBondContact O-CA 3.22Å; E301-I326 HydrophobicContact CG-CG2 4.14Å; I326-V328 HydrophobicContact CD1-CG1 4.5Å; I326-H361 PolarHBondContact O-N 3.33Å
327	G	98.1	Very high	94	Very high	0 Å²	0	42 Å²	42	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	158.1	159.6	0	0	0	0	0	111.1	V300 N359	V300-G327 PolarHBondContact N-O 2.95Å; V300-G327 PolarHBondContact O-N 3.19Å; G327-N359 CarbonylContact C-O 3.52Å; G327-N359 VanDerWaalsContact CA-O 3.28Å; G327-N359 WeakPolarHBondContact CA-O 3.46Å
328	V	98.6	Very high	93.9	Very high	0 Å²	0	40 Å²	40	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	147.1	172.8	-64.9	0	0	0	0	109.3	F262 C283 I285 H298 I326 A358 N359	F262-V328 HydrophobicContact CD1-CB 4.11Å; F262-V328 HydrophobicContact CD1-CG1 4.46Å; F262-V328 HydrophobicContact CE1-CB 3.78Å; F262-V328 HydrophobicContact CE1-CG1 3.87Å; C283-V328 HydrophobicContact CB-CG1 4.32Å; C283-V328 HydrophobicContact CB-CG2 3.7Å; I285-V328 HydrophobicContact CD1-CG2 3.89Å; I285-V328 HydrophobicContact CG1-CG2 3.96Å; H298-V328 CarbonylContact O-C 3.55Å; H298-V328 WeakPolarHBondContact O-CA 3.47Å; I326-V328 HydrophobicContact CD1-CG1 4.5Å; V328-A358 CarbonylContact O-C 3.56Å; V328-A358 WeakPolarHBondContact O-CA 3.44Å; V328-N359 HydrophobicContact CG2-CB 3.87Å; V328-N359 PolarHBondContact N-O 3.11Å; V328-N359 PolarHBondContact O-N 3.38Å
329	A	98.6	Very high	93.6	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	138.5	174.8	0	0	0	0	0	110.7	K297 H298 L356 V357 A358 I386	K297-A329 CarbonylContact C-O 3.56Å; K297-A329 WeakPolarHBondContact CA-O 3.35Å; H298-A329 PolarHBondContact N-O 3.27Å; H298-A329 PolarHBondContact O-N 3.26Å; A329-L356 HydrophobicContact CB-CD1 4.32Å; A329-V357 CarbonylContact C-O 3.57Å; A329-V357 VanDerWaalsContact CA-O 3.26Å; A329-V357 WeakPolarHBondContact CA-O 3.48Å; A329-A358 HydrophobicContact CB-CB 4.4Å; A329-I386 HydrophobicContact CB-CD1 4.19Å
330	V	98.6	Very high	93.1	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	130.6	174.6	-63.8	0	0	0	0	109.9	F262 I285 L294 Q296 K297 L332 L356 V357	F262-V330 HydrophobicContact CB-CG1 3.74Å; F262-V330 HydrophobicContact CD1-CG1 3.7Å; F262-V330 HydrophobicContact CG-CG1 4.05Å; I285-V330 HydrophobicContact CB-CG2 4.21Å; I285-V330 HydrophobicContact CD1-CG1 4.43Å; I285-V330 HydrophobicContact CD1-CG2 3.94Å; I285-V330 HydrophobicContact CG2-CG2 3.7Å; L294-V330 HydrophobicContact CD1-CB 3.8Å; L294-V330 HydrophobicContact CD1-CG1 3.99Å; Q296-V330 WeakPolarHBondContact O-CA 3.38Å; K297-V330 HydrophobicContact CB-CG1 4.39Å; V330-L332 HydrophobicContact CB-CD2 4.24Å; V330-L332 HydrophobicContact CG2-CD1 4.23Å; V330-L332 HydrophobicContact CG2-CD2 4Å; V330-L332 HydrophobicContact CG2-CG 4.02Å; V330-L356 WeakPolarHBondContact O-CD1 3.35Å; V330-V357 HydrophobicContact CG2-CB 3.95Å; V330-V357 PolarHBondContact N-O 3.41Å; V330-V357 PolarHBondContact O-N 2.78Å
331	L	97.8	Very high	92.4	Very high	2 Å²	2	43.5 Å²	43.5	1%	0.01	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	117.7	172.2	-174.4	67.7	0	0	0	107.8	V295 Q296 L354 L356 A390 I405	V295-L331 HydrophobicContact CB-CB 4.4Å; V295-L331 HydrophobicContact CB-CD2 4.21Å; V295-L331 HydrophobicContact CB-CG 4.23Å; V295-L331 WeakPolarHBondContact CB-O 3.4Å; V295-L331 HydrophobicContact CG1-CD2 4.16Å; V295-L331 PolarHBondContact N-O 2.95Å; Q296-L331 HydrophobicContact CB-CB 4.01Å; Q296-L331 HydrophobicContact CB-CD2 4.41Å; Q296-L331 HydrophobicContact CG-CD2 4.19Å; Q296-L331 PolarHBondContact N-O 3.16Å; Q296-L331 PolarHBondContact O-N 3.49Å; L331-L354 HydrophobicContact CD1-CB 4.17Å; L331-L354 HydrophobicContact CD1-CD1 4.1Å; L331-L354 HydrophobicContact CD2-CD1 3.95Å; L331-L354 HydrophobicContact CG-CD1 4.15Å; L331-L356 HydrophobicContact CB-CD1 4Å; L331-L356 HydrophobicContact CD1-CB 4.36Å; L331-L356 HydrophobicContact CD1-CD1 4.04Å; L331-A390 HydrophobicContact CD2-CB 3.62Å; L331-I405 HydrophobicContact CD1-CD1 4.27Å; L331-I405 HydrophobicContact CD1-CG2 4.15Å
332	L	97	Very high	91.3	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	138.9	-176	-56.5	178.2	0	0	0	110.1	I235 F287 F292 T293 L294 V330 L354 I355 V357	I235-L332 HydrophobicContact CD1-CD1 4.35Å; I235-L332 HydrophobicContact CG1-CD1 4.46Å; F287-L332 HydrophobicContact CB-CD1 3.99Å; F287-L332 HydrophobicContact CD1-CD1 4.33Å; F287-L332 HydrophobicContact CD1-CD2 3.82Å; F287-L332 HydrophobicContact CD2-CD2 4.03Å; F287-L332 HydrophobicContact CE1-CD2 3.95Å; F287-L332 HydrophobicContact CE2-CD2 4.13Å; F287-L332 HydrophobicContact CG-CD1 4.09Å; F287-L332 HydrophobicContact CG-CD2 3.89Å; F287-L332 HydrophobicContact CZ-CD2 4.13Å; F292-L332 HydrophobicContact CB-CB 4.25Å; F292-L332 HydrophobicContact CB-CD1 4.17Å; F292-L332 HydrophobicContact CD1-CB 4.04Å; F292-L332 HydrophobicContact CD1-CD1 4.17Å; F292-L332 HydrophobicContact CG-CB 4.45Å; F292-L332 HydrophobicContact CG-CD1 4.08Å; T293-L332 CarbonylContact O-C 3.53Å; T293-L332 WeakPolarHBondContact O-CA 3.36Å; L294-L332 HydrophobicContact CD1-CD2 3.91Å; V330-L332 HydrophobicContact CB-CD2 4.24Å; V330-L332 HydrophobicContact CG2-CD1 4.23Å; V330-L332 HydrophobicContact CG2-CD2 4Å; V330-L332 HydrophobicContact CG2-CG 4.02Å; L332-L354 CarbonylContact O-C 3.59Å; L332-L354 VanDerWaalsContact O-CA 3.28Å; L332-L354 WeakPolarHBondContact O-CA 3.44Å; L332-I355 HydrophobicContact CB-CG2 3.85Å; L332-I355 PolarHBondContact N-O 2.78Å; L332-I355 PolarHBondContact O-N 3.34Å; L332-V357 HydrophobicContact CD1-CG2 3.84Å
333	E	94.6	Very high	89.7	Confident	40 Å²	40	43.4 Å²	43.4	19%	0.187	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	122	168	-179.8	171.7	-180	0	0	108.5	F292 T293 V295 K352 L354	F292-E333 CarbonylContact C-O 3.49Å; F292-E333 WeakPolarHBondContact CA-O 3.37Å; T293-E333 PolarHBondContact N-O 2.83Å; T293-E333 PolarHBondContact O-N 2.85Å; V295-E333 HydrophobicContact CG2-CB 3.68Å; E333-K352 VanDerWaalsContact OE1-CD 3.31Å; E333-K352 WeakPolarHBondContact OE1-CD 3.41Å; E333-K352 VanDerWaalsContact OE1-CE 3.26Å; E333-K352 WeakPolarHBondContact OE1-CE 3.21Å; E333-K352 VanDerWaalsContact OE1-CG 3.26Å; E333-K352 WeakPolarHBondContact OE1-CG 3.25Å; E333-K352 IonicContact OE1-NZ 3.28Å; E333-K352 PolarHBondContact OE1-NZ 2.84Å; E333-K352 IonicContact OE2-NZ 2.79Å; E333-K352 PolarHBondContact OE2-NZ 2.6Å; E333-L354 HydrophobicContact CB-CD2 3.74Å; E333-L354 HydrophobicContact CG-CD2 4.17Å
334	L	92.9	Very high	87.7	Confident	11 Å²	11	45.7 Å²	45.7	6%	0.058	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	130.8	175.6	-178.5	72.1	0	0	0	109.4	A187 F292 I339 Q353 L540	A187-L334 HydrophobicContact CB-CD1 4.46Å; A187-L334 HydrophobicContact CB-CD2 3.42Å; A187-L334 VanDerWaalsContact CB-CD2 3.42Å; F292-L334 HydrophobicContact CD1-CD1 4.18Å; F292-L334 HydrophobicContact CE1-CD1 3.66Å; F292-L334 HydrophobicContact CZ-CD1 4.24Å; L334-I339 HydrophobicContact CD2-CD1 4.36Å; L334-I339 HydrophobicContact CD2-CG1 3.9Å; L334-Q353 HydrophobicContact CB-CB 4.22Å; L334-Q353 HydrophobicContact CB-CG 4.24Å; L334-Q353 HydrophobicContact CD2-CG 4.17Å; L334-Q353 PolarHBondContact N-O 3.32Å; L334-L540 HydrophobicContact CD2-CD2 4.37Å
335	R	91.7	Very high	85.6	Confident	104 Å²	104	50.9 Å²	50.9	39%	0.392	27%	0.27	S	S	.	.	P	Polyproline II helix	trans	-73.1	143.2	175.8	-70.5	-157.6	-170.9	-137.7	2	111.4	T289 E290 K291 E337 S338	T289-R335 VanDerWaalsContact O-CZ 3.24Å; T289-R335 PolarHBondContact O-NE 3.12Å; T289-R335 PolarHBondContact O-NH2 3.23Å; E290-R335 WeakPolarHBondContact O-CD 3.26Å; K291-R335 WeakPolarHBondContact O-CB 3.5Å; K291-R335 WeakPolarHBondContact O-CG 3.36Å; K291-R335 PolarHBondContact O-N 3.46Å; R335-E337 WeakPolarHBondContact CB-OE2 3.39Å; R335-E337 PolarHBondContact O-N 3.28Å; R335-S338 WeakPolarHBondContact O-CB 3.46Å; R335-S338 PolarHBondContact O-N 3.4Å
336	K	84.9	Confident	83.2	Confident	118 Å²	118	56.5 Å²	56.5	51%	0.513	31%	0.307	S	S	.	.	G	3₁₀ helix	trans	-64.6	-30.1	-173.3	-64.3	-178	177.2	-156.5	0	112.3	S338 I339 T350	K336-S338 PolarHBondContact O-N 2.99Å; K336-I339 PolarHBondContact O-N 3.36Å; K336-T350 VanDerWaalsContact CD-OG1 3.31Å; K336-T350 WeakPolarHBondContact CD-OG1 3.34Å; K336-T350 WeakPolarHBondContact CE-O 3.34Å; K336-T350 WeakPolarHBondContact CE-OG1 3.37Å; K336-T350 PolarHBondContact NZ-O 3.44Å; K336-T350 PolarHBondContact NZ-OG1 2.93Å
337	E	85.9	Confident	80.9	Confident	155 Å²	155	60.8 Å²	60.8	72%	0.724	33%	0.326	S	S	*	.	G	3₁₀ helix	trans	-67.2	-18.7	178.7	-58.7	77.9	-171.4	0	0	112.5	R335 I339	R335-E337 WeakPolarHBondContact CB-OE2 3.39Å; R335-E337 PolarHBondContact O-N 3.28Å; E337-I339 VanDerWaalsContact C-N 3.33Å
338	S	85.3	Confident	78.5	Confident	21 Å²	21	69.1 Å²	69.1	15%	0.147	37%	0.37	C	S	.	.	G	3₁₀ helix	trans	-88.5	2.1	178.1	-56.5	0	0	0	0	113.7	R335 K336	R335-S338 WeakPolarHBondContact O-CB 3.46Å; R335-S338 PolarHBondContact O-N 3.4Å; K336-S338 PolarHBondContact O-N 2.99Å
339	I	85.6	Confident	76.4	Confident	34 Å²	34	71.6 Å²	71.6	17%	0.174	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	120	-178.9	-59.8	172.7	0	0	0	109.3	P185 L334 K336 E337 M341 L542	P185-I339 HydrophobicContact CB-CG2 4.23Å; L334-I339 HydrophobicContact CD2-CD1 4.36Å; L334-I339 HydrophobicContact CD2-CG1 3.9Å; K336-I339 PolarHBondContact O-N 3.36Å; E337-I339 VanDerWaalsContact C-N 3.33Å; I339-M341 HydrophobicContact CG2-SD 4.27Å; I339-L542 HydrophobicContact CB-CD1 4.28Å; I339-L542 HydrophobicContact CD1-CD1 3.78Å; I339-L542 HydrophobicContact CG1-CD1 3.89Å; I339-L542 HydrophobicContact CG2-CD1 3.44Å; I339-L542 VanDerWaalsContact CG2-CD1 3.44Å
340	E	83.7	Confident	74.3	Confident	110 Å²	110	74.6 Å²	74.6	51%	0.514	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	136.8	175.2	-65	-176.3	-163	0	0	110.6	P185 T186	P185-E340 WeakPolarHBondContact CA-O 3.34Å; T186-E340 PolarHBondContact N-O 2.79Å; T186-E340 VanDerWaalsContact N-O 3.16Å; T186-E340 PolarHBondContact O-N 2.8Å
341	M	76.4	Confident	72.8	Confident	89 Å²	89	79.2 Å²	79.2	44%	0.438	44%	0.436	S	S	.	.			trans	-115.8	133.6	-175	-67.4	-64.5	-66.4	0	0	111.5	P185 I339 S343 H347	P185-M341 HydrophobicContact CB-SD 3.64Å; P185-M341 HydrophobicContact CG-CE 3.91Å; P185-M341 HydrophobicContact CG-SD 3.71Å; I339-M341 HydrophobicContact CG2-SD 4.27Å; M341-S343 VanDerWaalsContact C-N 3.32Å; M341-S343 PolarHBondContact O-N 2.89Å; M341-H347 HydrophobicContact CE-CB 4.39Å
342	P	69.3	Low	71.9	Confident	58 Å²	58	85 Å²	85	38%	0.377	46%	0.461	S	S	.	.	S	Bend	trans	-61.4	-21.6	-178.3	-30.2	36.2	0	0	0	117.6	R182 R184	R182-P342 VanDerWaalsContact O-CB 3.3Å; R182-P342 WeakPolarHBondContact O-CB 3.28Å; R182-P342 WeakPolarHBondContact O-CG 3.49Å; R184-P342 WeakPolarHBondContact O-CG 3.35Å
343	S	59.9	Low	71.4	Confident	87 Å²	87	87 Å²	87	61%	0.608	47%	0.47	S	S	*	.	S	Bend	trans	-158.2	30	-167	60.5	0	0	0	0	118.2	M341 K345	M341-S343 VanDerWaalsContact C-N 3.32Å; M341-S343 PolarHBondContact O-N 2.89Å; S343-K345 PolarHBondContact O-N 3.27Å
344	G	53	Low	71.3	Confident	78 Å²	78	85.6 Å²	85.6	80%	0.804	46%	0.464	S	S	*	.	S	Bend	trans	61	3.1	170.9	0	0	0	0	0	116.7
345	K	50.8	Low	71.4	Confident	151 Å²	151	85.2 Å²	85.2	66%	0.657	46%	0.462	S	S	*	.	P	Polyproline II helix	trans	-79.4	123.2	173.3	-71.4	-175.4	179.5	179.5	0	108.8	S343 H347	S343-K345 PolarHBondContact O-N 3.27Å; K345-H347 PolarHBondContact O-N 3.42Å
346	P	46.2	Very low	71.7	Confident	127 Å²	127	80.2 Å²	80.2	83%	0.825	44%	0.443	S	S	*	.	P	Polyproline II helix	trans	-66.9	124.5	177.8	25.9	-31.3	0	0	0	109.3	L348	P346-L348 PolarHBondContact O-N 3.25Å
347	H	50.7	Low	72.4	Confident	91 Å²	91	74.6 Å²	74.6	42%	0.421	42%	0.419	S	S	.	.	P	Polyproline II helix	trans	-79.5	118.7	165.1	-155	-63.7	0	0	0	108.4	M341 K345 G349	M341-H347 HydrophobicContact CE-CB 4.39Å; K345-H347 PolarHBondContact O-N 3.42Å; H347-G349 PolarHBondContact ND1-O 3.39Å; H347-G349 PolarHBondContact O-N 2.8Å
348	L	46.2	Very low	73	Confident	175 Å²	175	67.2 Å²	67.2	92%	0.916	38%	0.384	S	S	*	.	S	Bend	trans	-77.4	112.3	166.5	-161.8	76.1	0	0	0	107.2	P346	P346-L348 PolarHBondContact O-N 3.25Å
349	G	56.1	Low	73.6	Confident	53 Å²	53	66.2 Å²	66.2	55%	0.546	38%	0.377	S	S	.	.			trans	103.4	101.4	179.5	0	0	0	0	0	112.1	H347	H347-G349 PolarHBondContact ND1-O 3.39Å; H347-G349 PolarHBondContact O-N 2.8Å
350	T	54.7	Low	74.2	Confident	62 Å²	62	64.6 Å²	64.6	38%	0.38	37%	0.369	S	S	.	.			trans	-120.8	97.3	164.8	30	0	0	0	0	106.8	K336	K336-T350 VanDerWaalsContact CD-OG1 3.31Å; K336-T350 WeakPolarHBondContact CD-OG1 3.34Å; K336-T350 WeakPolarHBondContact CE-O 3.34Å; K336-T350 WeakPolarHBondContact CE-OG1 3.37Å; K336-T350 PolarHBondContact NZ-O 3.44Å; K336-T350 PolarHBondContact NZ-OG1 2.93Å
351	E	65.6	Low	74.9	Confident	98 Å²	98	60.1 Å²	60.1	46%	0.458	35%	0.348	S	S	.	.			trans	-59	159.1	167	-63.2	171.8	142.7	0	0	109.3	Q353 V398	E351-Q353 PolarHBondContact O-N 2.88Å; E351-Q353 VanDerWaalsContact O-N 3.15Å; E351-V398 HydrophobicContact CB-CB 4.46Å; E351-V398 HydrophobicContact CB-CG1 3.6Å; E351-V398 HydrophobicContact CB-CG2 4.24Å; E351-V398 HydrophobicContact CG-CG1 4.21Å; E351-V398 HydrophobicContact CG-CG2 4.05Å; E351-V398 WeakPolarHBondContact OE1-CG2 3.14Å; E351-V398 VanDerWaalsContact OE2-CA 3.22Å; E351-V398 WeakPolarHBondContact OE2-CA 3.26Å; E351-V398 WeakPolarHBondContact OE2-CG1 3.44Å
352	K	79	Confident	75.9	Confident	122 Å²	122	56 Å²	56	53%	0.53	33%	0.327	S	S	.	.			trans	-66.3	115.4	-175	-62.7	-170.1	161.6	-139.5	0	110.3	E333 L394	E333-K352 VanDerWaalsContact OE1-CD 3.31Å; E333-K352 WeakPolarHBondContact OE1-CD 3.41Å; E333-K352 VanDerWaalsContact OE1-CE 3.26Å; E333-K352 WeakPolarHBondContact OE1-CE 3.21Å; E333-K352 VanDerWaalsContact OE1-CG 3.26Å; E333-K352 WeakPolarHBondContact OE1-CG 3.25Å; E333-K352 IonicContact OE1-NZ 3.28Å; E333-K352 PolarHBondContact OE1-NZ 2.84Å; E333-K352 IonicContact OE2-NZ 2.79Å; E333-K352 PolarHBondContact OE2-NZ 2.6Å; K352-L394 HydrophobicContact CB-CD2 4.35Å
353	Q	87	Confident	77.3	Confident	42 Å²	42	54.1 Å²	54.1	20%	0.196	31%	0.313	C	S	.	.			trans	-84.5	117.3	171.1	180	61.1	45.4	0	0	109.1	L334 E351 L540 L542	L334-Q353 HydrophobicContact CB-CB 4.22Å; L334-Q353 HydrophobicContact CB-CG 4.24Å; L334-Q353 HydrophobicContact CD2-CG 4.17Å; L334-Q353 PolarHBondContact N-O 3.32Å; E351-Q353 PolarHBondContact O-N 2.88Å; E351-Q353 VanDerWaalsContact O-N 3.15Å; Q353-L540 HydrophobicContact CG-CD2 3.83Å; Q353-L542 HydrophobicContact CB-CD2 4.44Å; Q353-L542 HydrophobicContact CG-CD2 3.7Å; Q353-L542 VanDerWaalsContact OE1-CD2 3.3Å
354	L	92.3	Very high	79	Confident	12 Å²	12	58.1 Å²	58.1	6%	0.063	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	154.8	176	-59.4	-170.2	0	0	0	111.5	V295 L331 L332 E333 L394 I405 P406	V295-L354 HydrophobicContact CG2-CD2 4.04Å; L331-L354 HydrophobicContact CD1-CB 4.17Å; L331-L354 HydrophobicContact CD1-CD1 4.1Å; L331-L354 HydrophobicContact CD2-CD1 3.95Å; L331-L354 HydrophobicContact CG-CD1 4.15Å; L332-L354 CarbonylContact O-C 3.59Å; L332-L354 VanDerWaalsContact O-CA 3.28Å; L332-L354 WeakPolarHBondContact O-CA 3.44Å; E333-L354 HydrophobicContact CB-CD2 3.74Å; E333-L354 HydrophobicContact CG-CD2 4.17Å; L354-L394 HydrophobicContact CD1-CD1 3.58Å; L354-L394 HydrophobicContact CG-CD1 4.31Å; L354-I405 HydrophobicContact CB-CD1 4.36Å; L354-I405 HydrophobicContact CB-CG1 4.34Å; L354-I405 HydrophobicContact CB-CG2 4.08Å; L354-I405 HydrophobicContact CD1-CD1 4.09Å; L354-P406 WeakPolarHBondContact O-CD 3.34Å; L354-P406 WeakPolarHBondContact O-CG 3.42Å
355	I	95.5	Very high	81	Confident	2 Å²	2	56.4 Å²	56.4	1%	0.01	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	137.3	168.7	-173.6	167.9	0	0	0	108.6	F189 F292 L332 P406 V408	F189-I355 HydrophobicContact CE1-CD1 3.99Å; F189-I355 HydrophobicContact CE2-CD1 3.98Å; F189-I355 HydrophobicContact CZ-CD1 3.35Å; F292-I355 HydrophobicContact CD1-CG2 4.33Å; F292-I355 HydrophobicContact CE1-CG2 4.05Å; L332-I355 HydrophobicContact CB-CG2 3.85Å; L332-I355 PolarHBondContact N-O 2.78Å; L332-I355 PolarHBondContact O-N 3.34Å; I355-P406 HydrophobicContact CB-CG 4.28Å; I355-P406 HydrophobicContact CG1-CG 4.17Å; I355-V408 HydrophobicContact CD1-CG2 3.97Å
356	L	97.8	Very high	83	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	126.5	172.4	-170.1	78	0	0	0	109	A329 V330 L331 V383 I386 I387 I405 P406 L407 V408	A329-L356 HydrophobicContact CB-CD1 4.32Å; V330-L356 WeakPolarHBondContact O-CD1 3.35Å; L331-L356 HydrophobicContact CB-CD1 4Å; L331-L356 HydrophobicContact CD1-CB 4.36Å; L331-L356 HydrophobicContact CD1-CD1 4.04Å; L356-V383 HydrophobicContact CD2-CB 4.42Å; L356-V383 HydrophobicContact CD2-CG1 3.58Å; L356-I386 HydrophobicContact CD1-CG2 3.88Å; L356-I386 HydrophobicContact CD2-CG2 4.44Å; L356-I387 HydrophobicContact CB-CD1 4.32Å; L356-I387 HydrophobicContact CB-CG1 4.32Å; L356-I387 HydrophobicContact CD2-CD1 3.75Å; L356-I387 HydrophobicContact CD2-CG1 3.77Å; L356-I405 HydrophobicContact CB-CG2 4.36Å; L356-P406 PolarHBondContact N-O 3.4Å; L356-L407 HydrophobicContact CB-CD1 4.38Å; L356-L407 HydrophobicContact CD2-CD1 4.08Å; L356-L407 HydrophobicContact CG-CD1 4.36Å; L356-L407 WeakPolarHBondContact O-CA 3.35Å; L356-V408 PolarHBondContact O-N 3.45Å
357	V	98.7	Very high	85.3	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	124	171.6	-174.5	0	0	0	0	108.1	I235 I285 A329 V330 L332 V408	I235-V357 HydrophobicContact CD1-CG2 3.78Å; I235-V357 HydrophobicContact CG2-CG1 3.8Å; I235-V357 HydrophobicContact CG2-CG2 4.28Å; I285-V357 HydrophobicContact CD1-CB 4.49Å; I285-V357 HydrophobicContact CD1-CG1 4.12Å; I285-V357 WeakPolarHBondContact CD1-O 3.34Å; I285-V357 HydrophobicContact CG2-CG1 4.08Å; A329-V357 CarbonylContact C-O 3.57Å; A329-V357 VanDerWaalsContact CA-O 3.26Å; A329-V357 WeakPolarHBondContact CA-O 3.48Å; V330-V357 HydrophobicContact CG2-CB 3.95Å; V330-V357 PolarHBondContact N-O 3.41Å; V330-V357 PolarHBondContact O-N 2.78Å; L332-V357 HydrophobicContact CD1-CG2 3.84Å; V357-V408 CarbonylContact C-O 3.6Å; V357-V408 WeakPolarHBondContact CA-O 3.46Å
358	A	98.8	Very high	87.5	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	141.9	177.9	0	0	0	0	0	110.1	V328 A329 F379 V383 L407 V408 L409 C410	V328-A358 CarbonylContact O-C 3.56Å; V328-A358 WeakPolarHBondContact O-CA 3.44Å; A329-A358 HydrophobicContact CB-CB 4.4Å; A358-F379 HydrophobicContact CB-CE1 3.87Å; A358-F379 HydrophobicContact CB-CZ 3.73Å; A358-V383 HydrophobicContact CB-CG2 4.17Å; A358-L407 HydrophobicContact CB-CD1 3.91Å; A358-V408 PolarHBondContact N-O 2.87Å; A358-L409 HydrophobicContact CB-CD1 3.87Å; A358-C410 PolarHBondContact O-N 3.47Å
359	N	98.8	Very high	89.9	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	126.6	177.2	-179.9	11.7	0	0	0	110.2	L238 Q239 A284 I285 G327 V328 C410	L238-N359 PolarHBondContact N-ND2 3.46Å; L238-N359 PolarHBondContact O-ND2 2.93Å; Q239-N359 PolarHBondContact NE2-OD1 3.49Å; A284-N359 PolarHBondContact O-ND2 2.93Å; I285-N359 HydrophobicContact CD1-CB 3.72Å; I285-N359 HydrophobicContact CG1-CB 3.6Å; G327-N359 CarbonylContact C-O 3.52Å; G327-N359 VanDerWaalsContact CA-O 3.28Å; G327-N359 WeakPolarHBondContact CA-O 3.46Å; V328-N359 HydrophobicContact CG2-CB 3.87Å; V328-N359 PolarHBondContact N-O 3.11Å; V328-N359 PolarHBondContact O-N 3.38Å; N359-C410 WeakPolarHBondContact CA-O 3.28Å
360	A	98.4	Very high	91.8	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	156.6	177.9	0	0	0	0	0	113.4	F302 M362 F379 C410 A411 D412	F302-A360 HydrophobicContact CZ-CB 4.45Å; A360-M362 HydrophobicContact CB-CE 3.55Å; A360-M362 HydrophobicContact CB-SD 4.39Å; A360-F379 HydrophobicContact CB-CD1 3.86Å; A360-F379 HydrophobicContact CB-CE1 3.56Å; A360-F379 HydrophobicContact CB-CG 4.49Å; A360-F379 HydrophobicContact CB-CZ 3.99Å; A360-C410 PolarHBondContact N-O 3Å; A360-C410 VanDerWaalsContact N-O 3.15Å; A360-A411 HydrophobicContact CB-CB 4.34Å; A360-A411 VanDerWaalsContact O-CA 3.23Å; A360-A411 WeakPolarHBondContact O-CA 3.09Å; A360-A411 WeakPolarHBondContact O-CB 3.08Å; A360-D412 PolarHBondContact O-N 3.13Å; A360-D412 VanDerWaalsContact O-N 3.08Å
361	H	98.1	Very high	93.8	Very high	16 Å²	16	39.4 Å²	39.4	7%	0.074	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	103.4	171	-177.4	-177.2	0	0	0	108.8	Q239 E240 N325 I326 D412 N414	Q239-H361 HydrophobicContact CB-CB 4.24Å; Q239-H361 HydrophobicContact CG-CB 4.11Å; E240-H361 IonicContact OE1-CE1 3.38Å; E240-H361 PolarHBondContact OE1-CE1 3.4Å; N325-H361 WeakPolarHBondContact CB-O 3.45Å; N325-H361 PolarHBondContact ND2-O 3.4Å; I326-H361 PolarHBondContact O-N 3.33Å; H361-D412 WeakPolarHBondContact CA-O 3.48Å; H361-D412 IonicContact CD2-OD2 2.71Å; H361-D412 IonicContact NE2-OD2 3Å; H361-N414 PolarHBondContact NE2-ND2 2.77Å
362	M	97.9	Very high	95.3	Very high	2 Å²	2	35.3 Å²	35.3	1%	0.01	17%	0.166	C	C	.	.			trans	-77.5	165.3	-176.1	-55.8	-53.8	173.8	0	0	111.9	F302 N325 A360 Q375 F379 D412 L413 N414	F302-M362 HydrophobicContact CE2-SD 3.71Å; F302-M362 HydrophobicContact CZ-CE 4.21Å; F302-M362 HydrophobicContact CZ-SD 3.99Å; N325-M362 VanDerWaalsContact ND2-C 3.26Å; N325-M362 PolarHBondContact ND2-O 3.03Å; A360-M362 HydrophobicContact CB-CE 3.55Å; A360-M362 HydrophobicContact CB-SD 4.39Å; M362-Q375 HydrophobicContact SD-CB 3.77Å; M362-F379 HydrophobicContact CE-CB 4.44Å; M362-F379 HydrophobicContact CE-CD1 4.25Å; M362-D412 PolarHBondContact N-O 2.81Å; M362-L413 HydrophobicContact CE-CD2 3.94Å; M362-L413 HydrophobicContact CG-CD2 3.79Å; M362-N414 PolarHBondContact O-ND2 2.82Å; M362-N414 VanDerWaalsContact O-ND2 3.08Å
363	H	97.9	Very high	96.2	Very high	18 Å²	18	29.5 Å²	29.5	8%	0.083	14%	0.141	C	C	.	.			trans	-58.2	141.6	177.3	-171.4	54.2	0	0	0	112	K323 N325 D365 Y368 V371 K372 N414	K323-H363 VanDerWaalsContact CE-CE1 3.49Å; K323-H363 WeakPolarHBondContact CE-CE1 3.12Å; K323-H363 WeakPolarHBondContact CE-NE2 3.39Å; N325-H363 PolarHBondContact ND2-N 3.01Å; H363-D365 WeakPolarHBondContact NE2-CB 3.41Å; H363-Y368 AromaticContact NE2-CG 3.97Å; H363-V371 HydrophobicContact CB-CG1 4.12Å; H363-K372 WeakPolarHBondContact O-CD 3.44Å; H363-K372 WeakPolarHBondContact O-CE 3.24Å; H363-K372 WeakPolarHBondContact O-CG 3.29Å; H363-N414 VanDerWaalsContact O-CB 3.26Å; H363-N414 WeakPolarHBondContact O-CB 3.3Å
364	W	95.3	Very high	96.6	Very high	172 Å²	172	27.5 Å²	27.5	65%	0.652	13%	0.131	S	C	*	.			trans	-88.5	-35.2	-169.2	69	-92.2	0	0	0	114.1	P366 K372	W364-P366 WeakPolarHBondContact O-CD 3.44Å; W364-K372 PolarHBondContact O-NZ 2.71Å
365	D	95.7	Very high	96.8	Very high	42 Å²	42	26.9 Å²	26.9	23%	0.225	13%	0.128	C	C	.	.			trans	-58.4	120.5	-167.8	-170.4	-27.8	0	0	0	112.2	H363 E367 Y368 K372	H363-D365 WeakPolarHBondContact NE2-CB 3.41Å; D365-E367 PolarHBondContact O-N 2.92Å; D365-E367 VanDerWaalsContact O-N 3.15Å; D365-E367 WeakPolarHBondContact OD1-CB 3.37Å; D365-E367 PolarHBondContact OD1-N 3.11Å; D365-Y368 HydrophobicContact CB-CD2 3.67Å; D365-Y368 HydrophobicContact CB-CE2 4.39Å; D365-Y368 HydrophobicContact CB-CG 4.42Å; D365-Y368 VanDerWaalsContact CG-CD2 3.44Å; D365-Y368 PolarHBondContact O-N 2.91Å; D365-Y368 WeakPolarHBondContact OD2-CD2 3.21Å; D365-Y368 WeakPolarHBondContact OD2-CE2 3.46Å; D365-K372 WeakPolarHBondContact O-CE 3.49Å; D365-K372 PolarHBondContact O-NZ 3.27Å; D365-K372 VanDerWaalsContact O-NZ 3.15Å
366	P	93.1	Very high	96.9	Very high	95 Å²	95	26.9 Å²	26.9	62%	0.617	13%	0.128	S	C	*	.	G	3₁₀ helix	trans	-54.5	-29	177.5	-26.5	35.5	0	0	0	114.1	W364 Y368	W364-P366 WeakPolarHBondContact O-CD 3.44Å; P366-Y368 PolarHBondContact O-N 2.76Å
367	E	94.6	Very high	96.8	Very high	122 Å²	122	26.9 Å²	26.9	57%	0.57	13%	0.128	S	C	*	.	G	3₁₀ helix	trans	-77.5	1.3	179.6	-69.1	-56.7	145.7	0	0	114.2	R319 D365 K438	R319-E367 PolarHBondContact NH2-O 3.45Å; D365-E367 PolarHBondContact O-N 2.92Å; D365-E367 VanDerWaalsContact O-N 3.15Å; D365-E367 WeakPolarHBondContact OD1-CB 3.37Å; D365-E367 PolarHBondContact OD1-N 3.11Å; E367-K438 VanDerWaalsContact O-CE 3.32Å; E367-K438 WeakPolarHBondContact O-CE 3.06Å; E367-K438 PolarHBondContact O-NZ 3.4Å; E367-K438 IonicContact OE2-NZ 3.65Å; E367-K438 PolarHBondContact OE2-NZ 2.85Å
368	Y	96.5	Very high	96.6	Very high	61 Å²	61	26.9 Å²	26.9	24%	0.239	13%	0.128	C	C	.	.	G	3₁₀ helix	trans	-121.3	42.5	-177.1	-73.3	-98.4	0	0	0	111.9	R319 H363 D365 P366 D370 V371 K372	R319-Y368 HydrophobicContact CB-CE1 4.42Å; R319-Y368 HydrophobicContact CG-CE1 4.48Å; R319-Y368 VanDerWaalsContact CZ-CD1 3.5Å; R319-Y368 VanDerWaalsContact CZ-CE1 3.44Å; R319-Y368 VanDerWaalsContact NH1-CE1 3.32Å; H363-Y368 AromaticContact NE2-CG 3.97Å; D365-Y368 HydrophobicContact CB-CD2 3.67Å; D365-Y368 HydrophobicContact CB-CE2 4.39Å; D365-Y368 HydrophobicContact CB-CG 4.42Å; D365-Y368 VanDerWaalsContact CG-CD2 3.44Å; D365-Y368 PolarHBondContact O-N 2.91Å; D365-Y368 WeakPolarHBondContact OD2-CD2 3.21Å; D365-Y368 WeakPolarHBondContact OD2-CE2 3.46Å; P366-Y368 PolarHBondContact O-N 2.76Å; Y368-D370 WeakPolarHBondContact CA-OD1 3.19Å; Y368-D370 PolarHBondContact O-N 2.76Å; Y368-V371 HydrophobicContact CD1-CG2 3.65Å; Y368-V371 HydrophobicContact CG-CG2 4.38Å; Y368-V371 PolarHBondContact O-N 2.92Å; Y368-K372 WeakPolarHBondContact O-CG 3.4Å; Y368-K372 PolarHBondContact O-N 3Å; Y368-K372 VanDerWaalsContact O-N 3.12Å
369	S	96.6	Very high	96.6	Very high	23 Å²	23	26.9 Å²	26.9	16%	0.161	13%	0.128	C	C	.	.	H	α-helix	trans	-49.6	-38	172.5	57.9	0	0	0	0	112.9	K372 L373 D436	S369-K372 PolarHBondContact O-N 2.89Å; S369-L373 WeakPolarHBondContact O-CB 3.45Å; S369-L373 PolarHBondContact O-N 2.9Å; S369-D436 CarbonylContact C-O 3.51Å; S369-D436 PolarHBondContact OG-O 2.98Å
370	D	95.4	Very high	96.4	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-63.7	-45.1	178.1	59.3	-48.7	0	0	0	111.5	R319 Y368 L373 V374 D436 L440 Y442	R319-D370 IonicContact CZ-OD1 2.69Å; R319-D370 IonicContact CZ-OD2 2.66Å; R319-D370 IonicContact NE-OD1 3.2Å; R319-D370 IonicContact NE-OD2 3.81Å; R319-D370 PolarHBondContact NE-OD2 2.84Å; R319-D370 IonicContact NH2-OD1 2.8Å; R319-D370 PolarHBondContact NH2-OD1 3.49Å; R319-D370 IonicContact NH2-OD2 2.69Å; R319-D370 PolarHBondContact NH2-OD2 3.14Å; Y368-D370 WeakPolarHBondContact CA-OD1 3.19Å; Y368-D370 PolarHBondContact O-N 2.76Å; D370-L373 PolarHBondContact O-N 2.95Å; D370-V374 WeakPolarHBondContact O-CB 3.44Å; D370-V374 VanDerWaalsContact O-CG2 3.26Å; D370-V374 WeakPolarHBondContact O-CG2 3.4Å; D370-V374 PolarHBondContact O-N 3.34Å; D370-D436 WeakPolarHBondContact CA-O 3.23Å; D370-D436 VanDerWaalsContact CB-O 3.29Å; D370-D436 WeakPolarHBondContact CB-O 3.44Å; D370-D436 PolarHBondContact N-O 2.78Å; D370-L440 HydrophobicContact CB-CD1 4.43Å; D370-L440 VanDerWaalsContact OD2-CD1 3.26Å; D370-L440 WeakPolarHBondContact OD2-CD1 3.44Å; D370-Y442 HydrophobicContact CB-CE2 3.98Å; D370-Y442 PolarHBondContact OD2-OH 3.44Å
371	V	96.8	Very high	96.2	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-65.3	-42.5	178.5	177.2	0	0	0	0	111	R319 V320 K323 H363 Y368 L373 V374 Q375	R319-V371 HydrophobicContact CB-CG2 3.94Å; V320-V371 HydrophobicContact CG2-CG2 4.09Å; K323-V371 HydrophobicContact CG-CG1 4.06Å; H363-V371 HydrophobicContact CB-CG1 4.12Å; Y368-V371 HydrophobicContact CD1-CG2 3.65Å; Y368-V371 HydrophobicContact CG-CG2 4.38Å; Y368-V371 PolarHBondContact O-N 2.92Å; V371-L373 VanDerWaalsContact C-N 3.31Å; V371-L373 PolarHBondContact O-N 2.92Å; V371-V374 PolarHBondContact O-N 3.3Å; V371-Q375 HydrophobicContact CG1-CG 4.12Å; V371-Q375 WeakPolarHBondContact O-CB 3.28Å; V371-Q375 VanDerWaalsContact O-CG 3.23Å; V371-Q375 WeakPolarHBondContact O-CG 3.39Å; V371-Q375 PolarHBondContact O-N 3.15Å
372	K	97.9	Very high	96.1	Very high	12 Å²	12	29.3 Å²	29.3	5%	0.052	14%	0.141	C	C	.	.	H	α-helix	trans	-60	-43.3	177.6	-60.9	176.7	-165.3	-170.7	0	111.2	H363 W364 D365 Y368 S369 T376 N414 S415 V421	H363-K372 WeakPolarHBondContact O-CD 3.44Å; H363-K372 WeakPolarHBondContact O-CE 3.24Å; H363-K372 WeakPolarHBondContact O-CG 3.29Å; W364-K372 PolarHBondContact O-NZ 2.71Å; D365-K372 WeakPolarHBondContact O-CE 3.49Å; D365-K372 PolarHBondContact O-NZ 3.27Å; D365-K372 VanDerWaalsContact O-NZ 3.15Å; Y368-K372 WeakPolarHBondContact O-CG 3.4Å; Y368-K372 PolarHBondContact O-N 3Å; Y368-K372 VanDerWaalsContact O-N 3.12Å; S369-K372 PolarHBondContact O-N 2.89Å; K372-T376 WeakPolarHBondContact O-CB 3.22Å; K372-T376 PolarHBondContact O-N 3.37Å; K372-T376 PolarHBondContact O-OG1 3.06Å; K372-N414 HydrophobicContact CD-CB 4.39Å; K372-N414 WeakPolarHBondContact CD-O 3.33Å; K372-N414 PolarHBondContact NZ-O 3.27Å; K372-S415 WeakPolarHBondContact CD-OG 3.43Å; K372-V421 HydrophobicContact CB-CG2 3.98Å
373	L	96.7	Very high	96	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-65.5	-47.5	177.5	-174.7	52.4	0	0	0	112.1	S369 D370 V371 T376 M377 G420 V421 Y424 V430 D436 F437	S369-L373 WeakPolarHBondContact O-CB 3.45Å; S369-L373 PolarHBondContact O-N 2.9Å; D370-L373 PolarHBondContact O-N 2.95Å; V371-L373 VanDerWaalsContact C-N 3.31Å; V371-L373 PolarHBondContact O-N 2.92Å; L373-T376 WeakPolarHBondContact O-CB 3.21Å; L373-T376 PolarHBondContact O-N 2.83Å; L373-M377 HydrophobicContact CD1-CE 3.83Å; L373-M377 HydrophobicContact CD2-CE 4.39Å; L373-M377 HydrophobicContact CG-CE 3.88Å; L373-M377 WeakPolarHBondContact O-CG 3.46Å; L373-M377 PolarHBondContact O-N 2.94Å; L373-G420 WeakPolarHBondContact CD1-O 3.42Å; L373-V421 HydrophobicContact CB-CG2 4.12Å; L373-V421 HydrophobicContact CD1-CG2 4.24Å; L373-Y424 HydrophobicContact CD1-CG 4.49Å; L373-V430 HydrophobicContact CD1-CG1 4.4Å; L373-V430 HydrophobicContact CD2-CG1 4.36Å; L373-D436 HydrophobicContact CD2-CB 4.16Å; L373-F437 HydrophobicContact CB-CE1 4.4Å; L373-F437 HydrophobicContact CD2-CD1 4.18Å; L373-F437 HydrophobicContact CD2-CD2 4.2Å; L373-F437 HydrophobicContact CD2-CE1 3.67Å; L373-F437 HydrophobicContact CD2-CE2 3.69Å; L373-F437 HydrophobicContact CD2-CG 4.42Å; L373-F437 HydrophobicContact CD2-CZ 3.41Å; L373-F437 VanDerWaalsContact CD2-CZ 3.41Å; L373-F437 HydrophobicContact CG-CE1 3.91Å; L373-F437 HydrophobicContact CG-CZ 3.83Å
374	V	95.1	Very high	95.8	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-64.1	-42.6	178.1	174.7	0	0	0	0	111.9	M316 V320 D370 V371 T376 M377 M378 F437 Y442 L446	M316-V374 HydrophobicContact CE-CG1 3.9Å; M316-V374 HydrophobicContact SD-CG1 3.91Å; V320-V374 HydrophobicContact CG1-CG1 4Å; V320-V374 HydrophobicContact CG2-CB 4.27Å; V320-V374 HydrophobicContact CG2-CG1 4.1Å; D370-V374 WeakPolarHBondContact O-CB 3.44Å; D370-V374 VanDerWaalsContact O-CG2 3.26Å; D370-V374 WeakPolarHBondContact O-CG2 3.4Å; D370-V374 PolarHBondContact O-N 3.34Å; V371-V374 PolarHBondContact O-N 3.3Å; V374-T376 VanDerWaalsContact C-N 3.3Å; V374-T376 PolarHBondContact O-N 3.16Å; V374-M377 PolarHBondContact O-N 3Å; V374-M378 HydrophobicContact CG1-CE 3.54Å; V374-M378 HydrophobicContact CG1-CG 4.39Å; V374-M378 HydrophobicContact CG1-SD 4.14Å; V374-M378 WeakPolarHBondContact O-CG 3.29Å; V374-M378 PolarHBondContact O-N 2.88Å; V374-F437 HydrophobicContact CG2-CD1 4.48Å; V374-F437 HydrophobicContact CG2-CE1 3.94Å; V374-Y442 HydrophobicContact CG2-CE1 4.42Å; V374-L446 HydrophobicContact CG1-CD2 4.21Å; V374-L446 HydrophobicContact CG2-CD2 3.74Å
375	Q	97.3	Very high	95.7	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-59.8	-41.8	175.6	-75.5	178.6	-17.3	0	0	111.5	F302 N325 M362 V371 M377 M378 F379	F302-Q375 HydrophobicContact CB-CG 4.06Å; F302-Q375 HydrophobicContact CD2-CB 3.92Å; F302-Q375 HydrophobicContact CD2-CG 3.71Å; F302-Q375 HydrophobicContact CE2-CB 4.15Å; F302-Q375 HydrophobicContact CE2-CG 4.4Å; F302-Q375 HydrophobicContact CG-CB 4.24Å; F302-Q375 HydrophobicContact CG-CG 3.99Å; N325-Q375 PolarHBondContact OD1-NE2 2.89Å; M362-Q375 HydrophobicContact SD-CB 3.77Å; V371-Q375 HydrophobicContact CG1-CG 4.12Å; V371-Q375 WeakPolarHBondContact O-CB 3.28Å; V371-Q375 VanDerWaalsContact O-CG 3.23Å; V371-Q375 WeakPolarHBondContact O-CG 3.39Å; V371-Q375 PolarHBondContact O-N 3.15Å; Q375-M377 PolarHBondContact O-N 3.03Å; Q375-M378 PolarHBondContact O-N 2.86Å; Q375-F379 WeakPolarHBondContact O-CB 3.21Å; Q375-F379 PolarHBondContact O-N 3.49Å
376	T	97.8	Very high	95.6	Very high	1 Å²	1	24 Å²	24	1%	0.006	12%	0.123	C	C	.	.	H	α-helix	trans	-61.5	-44.3	175.5	-57.8	0	0	0	0	111.5	K372 L373 V374 F379 L380 V421 Y424 L425	K372-T376 WeakPolarHBondContact O-CB 3.22Å; K372-T376 PolarHBondContact O-N 3.37Å; K372-T376 PolarHBondContact O-OG1 3.06Å; L373-T376 WeakPolarHBondContact O-CB 3.21Å; L373-T376 PolarHBondContact O-N 2.83Å; V374-T376 VanDerWaalsContact C-N 3.3Å; V374-T376 PolarHBondContact O-N 3.16Å; T376-F379 PolarHBondContact O-N 3.07Å; T376-L380 HydrophobicContact CG2-CD1 4.05Å; T376-L380 WeakPolarHBondContact O-CD1 3.17Å; T376-L380 PolarHBondContact O-N 2.95Å; T376-V421 HydrophobicContact CG2-CG1 4.14Å; T376-V421 WeakPolarHBondContact OG1-CG1 3.32Å; T376-Y424 HydrophobicContact CG2-CD1 3.95Å; T376-Y424 HydrophobicContact CG2-CE1 4.25Å; T376-L425 HydrophobicContact CG2-CD1 4.14Å; T376-L425 HydrophobicContact CG2-CD2 3.76Å; T376-L425 HydrophobicContact CG2-CG 3.93Å
377	M	95.4	Very high	95.6	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-63	-46.1	176.9	-68	175.1	172.1	0	0	112.4	L373 V374 Q375 F379 L380 S381 Y424 V430 F437 F449 I462	L373-M377 HydrophobicContact CD1-CE 3.83Å; L373-M377 HydrophobicContact CD2-CE 4.39Å; L373-M377 HydrophobicContact CG-CE 3.88Å; L373-M377 WeakPolarHBondContact O-CG 3.46Å; L373-M377 PolarHBondContact O-N 2.94Å; V374-M377 PolarHBondContact O-N 3Å; Q375-M377 PolarHBondContact O-N 3.03Å; M377-F379 VanDerWaalsContact C-N 3.28Å; M377-F379 PolarHBondContact O-N 2.84Å; M377-L380 PolarHBondContact O-N 3.13Å; M377-S381 WeakPolarHBondContact O-CB 3.23Å; M377-S381 PolarHBondContact O-N 3.49Å; M377-Y424 HydrophobicContact CE-CD2 3.86Å; M377-Y424 HydrophobicContact CE-CE2 4.06Å; M377-Y424 HydrophobicContact CE-CG 4.35Å; M377-Y424 HydrophobicContact CG-CD1 4.35Å; M377-Y424 HydrophobicContact CG-CD2 4.42Å; M377-Y424 HydrophobicContact CG-CE1 3.92Å; M377-Y424 HydrophobicContact CG-CE2 4.03Å; M377-V430 HydrophobicContact CE-CG1 3.25Å; M377-F437 HydrophobicContact CE-CE2 4.48Å; M377-F437 HydrophobicContact CE-CZ 3.69Å; M377-F437 HydrophobicContact SD-CZ 4.09Å; M377-F449 HydrophobicContact CB-CB 4.14Å; M377-I462 HydrophobicContact CE-CB 4.06Å; M377-I462 HydrophobicContact CE-CD1 3.77Å; M377-I462 HydrophobicContact CE-CG2 4.02Å; M377-I462 HydrophobicContact CG-CG2 4.49Å; M377-I462 HydrophobicContact SD-CD1 3.79Å; M377-I462 HydrophobicContact SD-CG2 3.98Å
378	M	95.1	Very high	95.3	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-57	-44.6	174.8	-74.3	175.2	177	0	0	111.2	F302 L305 A306 M316 V320 V374 Q375 S381 E382 F449	F302-M378 HydrophobicContact CB-SD 4.41Å; F302-M378 HydrophobicContact CD1-CB 4.36Å; L305-M378 HydrophobicContact CB-CG 4.38Å; L305-M378 HydrophobicContact CB-SD 4.03Å; L305-M378 HydrophobicContact CD1-CB 3.96Å; A306-M378 VanDerWaalsContact CA-CE 3.47Å; A306-M378 HydrophobicContact CB-CE 3.71Å; A306-M378 HydrophobicContact CB-SD 4.44Å; M316-M378 HydrophobicContact CE-CE 4.06Å; M316-M378 HydrophobicContact SD-CE 3.39Å; M316-M378 WeakPolarHBondContact SD-CE 3.42Å; V320-M378 HydrophobicContact CG1-CE 4.04Å; V320-M378 HydrophobicContact CG1-SD 4.33Å; V374-M378 HydrophobicContact CG1-CE 3.54Å; V374-M378 HydrophobicContact CG1-CG 4.39Å; V374-M378 HydrophobicContact CG1-SD 4.14Å; V374-M378 WeakPolarHBondContact O-CG 3.29Å; V374-M378 PolarHBondContact O-N 2.88Å; Q375-M378 PolarHBondContact O-N 2.86Å; M378-S381 PolarHBondContact O-N 3.22Å; M378-E382 PolarHBondContact O-N 2.83Å; M378-E382 VanDerWaalsContact O-N 3.07Å; M378-F449 HydrophobicContact CE-CE1 4.21Å; M378-F449 HydrophobicContact CE-CE2 3.69Å; M378-F449 HydrophobicContact CE-CZ 3.37Å; M378-F449 HydrophobicContact CG-CD1 3.93Å; M378-F449 HydrophobicContact CG-CD2 4.28Å; M378-F449 HydrophobicContact CG-CE1 3.62Å; M378-F449 HydrophobicContact CG-CE2 4.01Å; M378-F449 HydrophobicContact CG-CG 4.25Å; M378-F449 HydrophobicContact CG-CZ 3.65Å; M378-F449 HydrophobicContact SD-CZ 4.34Å
379	F	97.5	Very high	95	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-64.6	-47.3	-178.8	-168	-135.8	0	0	0	112.1	V300 F302 A358 A360 M362 Q375 T376 M377 S381 E382 V383 L409	V300-F379 HydrophobicContact CB-CD2 3.91Å; V300-F379 HydrophobicContact CB-CE2 4.1Å; V300-F379 HydrophobicContact CG1-CD2 4.1Å; V300-F379 HydrophobicContact CG2-CD2 3.93Å; V300-F379 HydrophobicContact CG2-CE2 3.87Å; F302-F379 HydrophobicContact CE1-CB 3.67Å; F302-F379 AromaticContact CE1-CD2 3.92Å; F302-F379 HydrophobicContact CE1-CD2 3.92Å; F302-F379 HydrophobicContact CE1-CG 4.06Å; F302-F379 HydrophobicContact CZ-CB 4Å; F302-F379 HydrophobicContact CZ-CD2 4.19Å; F302-F379 HydrophobicContact CZ-CG 4.15Å; A358-F379 HydrophobicContact CB-CE1 3.87Å; A358-F379 HydrophobicContact CB-CZ 3.73Å; A360-F379 HydrophobicContact CB-CD1 3.86Å; A360-F379 HydrophobicContact CB-CE1 3.56Å; A360-F379 HydrophobicContact CB-CG 4.49Å; A360-F379 HydrophobicContact CB-CZ 3.99Å; M362-F379 HydrophobicContact CE-CB 4.44Å; M362-F379 HydrophobicContact CE-CD1 4.25Å; Q375-F379 WeakPolarHBondContact O-CB 3.21Å; Q375-F379 PolarHBondContact O-N 3.49Å; T376-F379 PolarHBondContact O-N 3.07Å; M377-F379 VanDerWaalsContact C-N 3.28Å; M377-F379 PolarHBondContact O-N 2.84Å; F379-S381 VanDerWaalsContact C-N 3.33Å; F379-S381 PolarHBondContact O-N 2.86Å; F379-E382 PolarHBondContact O-N 2.64Å; F379-V383 HydrophobicContact CD2-CG2 4.3Å; F379-V383 HydrophobicContact CE1-CG2 4.48Å; F379-V383 HydrophobicContact CE2-CG2 4.1Å; F379-V383 HydrophobicContact CZ-CG2 4.22Å; F379-V383 WeakPolarHBondContact O-CB 3.43Å; F379-V383 VanDerWaalsContact O-CG2 3.28Å; F379-V383 WeakPolarHBondContact O-CG2 3.22Å; F379-V383 PolarHBondContact O-N 3Å; 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	94.7	Very high	2 Å²	2	18 Å²	18	1%	0.01	9%	0.087	C	C	.	.	H	α-helix	trans	-65.7	-36.3	178.8	-93.3	75.4	0	0	0	112.3	T376 M377 V383 K384 L409 Y424 L425 H464 F466 L468	T376-L380 HydrophobicContact CG2-CD1 4.05Å; T376-L380 WeakPolarHBondContact O-CD1 3.17Å; T376-L380 PolarHBondContact O-N 2.95Å; M377-L380 PolarHBondContact O-N 3.13Å; L380-V383 PolarHBondContact O-N 3.1Å; L380-K384 WeakPolarHBondContact O-CB 3.47Å; L380-K384 PolarHBondContact O-N 3.03Å; L380-L409 HydrophobicContact CD1-CD2 4.1Å; L380-Y424 HydrophobicContact CB-CE1 4.39Å; L380-Y424 HydrophobicContact CD2-CE1 3.84Å; L380-Y424 HydrophobicContact CG-CE1 4.5Å; L380-L425 HydrophobicContact CD1-CD2 3.52Å; L380-L425 HydrophobicContact CD2-CD2 3.64Å; L380-L425 HydrophobicContact CG-CD2 4.23Å; L380-H464 HydrophobicContact CD2-CB 4.21Å; L380-F466 HydrophobicContact CB-CE2 4.19Å; L380-F466 HydrophobicContact CD2-CD2 3.89Å; L380-F466 HydrophobicContact CD2-CE2 4.29Å; L380-F466 HydrophobicContact CG-CD2 4.24Å; L380-F466 HydrophobicContact CG-CE2 4.19Å; L380-F466 WeakPolarHBondContact O-CE2 3.17Å; L380-L468 HydrophobicContact CD2-CD1 4.16Å
381	S	94.5	Very high	94.2	Very high	12 Å²	12	19 Å²	19	8%	0.084	9%	0.094	C	C	.	.	H	α-helix	trans	-61.7	-46.4	175.1	-171.3	0	0	0	0	111.6	M377 M378 F379 K384 N385	M377-S381 WeakPolarHBondContact O-CB 3.23Å; M377-S381 PolarHBondContact O-N 3.49Å; M378-S381 PolarHBondContact O-N 3.22Å; F379-S381 VanDerWaalsContact C-N 3.33Å; F379-S381 PolarHBondContact O-N 2.86Å; S381-K384 WeakPolarHBondContact O-CB 3.42Å; S381-K384 PolarHBondContact O-N 2.76Å; S381-N385 PolarHBondContact O-N 2.74Å; S381-N385 PolarHBondContact O-ND2 3.38Å
382	E	95.5	Very high	93.6	Very high	53 Å²	53	27.8 Å²	27.8	25%	0.248	13%	0.128	C	C	.	.	H	α-helix	trans	-69.4	-38.7	176.4	-78.8	-52.4	114.7	0	0	113.1	V300 L305 M378 F379 K384 N385 I386	V300-E382 HydrophobicContact CG1-CB 4.06Å; V300-E382 HydrophobicContact CG1-CG 4.05Å; V300-E382 HydrophobicContact CG2-CB 4Å; L305-E382 HydrophobicContact CD1-CG 3.62Å; L305-E382 HydrophobicContact CD2-CG 3.97Å; L305-E382 HydrophobicContact CG-CG 4.43Å; M378-E382 PolarHBondContact O-N 2.83Å; M378-E382 VanDerWaalsContact O-N 3.07Å; F379-E382 PolarHBondContact O-N 2.64Å; E382-K384 PolarHBondContact O-N 3Å; E382-N385 WeakPolarHBondContact O-CB 3.5Å; E382-N385 PolarHBondContact O-N 2.66Å; E382-N385 VanDerWaalsContact O-N 3.09Å; E382-N385 PolarHBondContact OE1-ND2 3.39Å; E382-I386 WeakPolarHBondContact O-CG1 3.15Å; E382-I386 PolarHBondContact O-N 3.02Å
383	V	95.5	Very high	92.5	Very high	2 Å²	2	33.1 Å²	33.1	1%	0.012	16%	0.156	C	C	.	.	H	α-helix	trans	-57.3	-40.5	172.1	161.3	0	0	0	0	110.9	L356 A358 F379 L380 I386 I387 L407 F466	L356-V383 HydrophobicContact CD2-CB 4.42Å; L356-V383 HydrophobicContact CD2-CG1 3.58Å; A358-V383 HydrophobicContact CB-CG2 4.17Å; F379-V383 HydrophobicContact CD2-CG2 4.3Å; F379-V383 HydrophobicContact CE1-CG2 4.48Å; F379-V383 HydrophobicContact CE2-CG2 4.1Å; F379-V383 HydrophobicContact CZ-CG2 4.22Å; F379-V383 WeakPolarHBondContact O-CB 3.43Å; F379-V383 VanDerWaalsContact O-CG2 3.28Å; F379-V383 WeakPolarHBondContact O-CG2 3.22Å; F379-V383 PolarHBondContact O-N 3Å; L380-V383 PolarHBondContact O-N 3.1Å; V383-I386 PolarHBondContact O-N 3.48Å; V383-I387 HydrophobicContact CG1-CD1 4.17Å; V383-I387 PolarHBondContact O-N 2.82Å; V383-L407 HydrophobicContact CG1-CD1 3.96Å; V383-L407 HydrophobicContact CG1-CD2 3.75Å; V383-F466 HydrophobicContact CG1-CE1 4.24Å; V383-F466 HydrophobicContact CG1-CE2 4.45Å; V383-F466 HydrophobicContact CG1-CZ 3.8Å
384	K	93.8	Very high	91.4	Very high	54 Å²	54	34.6 Å²	34.6	24%	0.235	16%	0.164	C	C	.	.	H	α-helix	trans	-63.1	-46.3	173.1	176.5	168.6	172.1	38.8	0	111.6	L380 S381 E382 I386 I387 D388 C451 F466	L380-K384 WeakPolarHBondContact O-CB 3.47Å; L380-K384 PolarHBondContact O-N 3.03Å; S381-K384 WeakPolarHBondContact O-CB 3.42Å; S381-K384 PolarHBondContact O-N 2.76Å; E382-K384 PolarHBondContact O-N 3Å; K384-I386 PolarHBondContact O-N 3.48Å; K384-I387 PolarHBondContact O-N 3.27Å; K384-I387 VanDerWaalsContact O-N 3.12Å; K384-D388 WeakPolarHBondContact CE-OD2 3.41Å; K384-D388 VanDerWaalsContact NZ-CG 3.25Å; K384-D388 IonicContact NZ-OD1 3.76Å; K384-D388 PolarHBondContact NZ-OD1 3.11Å; K384-D388 IonicContact NZ-OD2 3.3Å; K384-D388 PolarHBondContact NZ-OD2 3.2Å; K384-D388 WeakPolarHBondContact O-CB 3.39Å; K384-D388 PolarHBondContact O-N 3.31Å; K384-C451 HydrophobicContact CD-CB 3.42Å; K384-C451 VanDerWaalsContact CD-CB 3.42Å; K384-C451 WeakPolarHBondContact CE-O 3.38Å; K384-F466 HydrophobicContact CB-CE2 4.18Å; K384-F466 HydrophobicContact CB-CZ 3.68Å
385	N	92.8	Very high	89.6	Confident	59 Å²	59	43.1 Å²	43.1	32%	0.316	20%	0.201	S	C	.	.	H	α-helix	trans	-58	-37.8	177.7	-72.3	-28	0	0	0	111.9	S381 E382 K389	S381-N385 PolarHBondContact O-N 2.74Å; S381-N385 PolarHBondContact O-ND2 3.38Å; E382-N385 WeakPolarHBondContact O-CB 3.5Å; E382-N385 PolarHBondContact O-N 2.66Å; E382-N385 VanDerWaalsContact O-N 3.09Å; E382-N385 PolarHBondContact OE1-ND2 3.39Å; N385-K389 WeakPolarHBondContact O-CB 3.34Å; N385-K389 WeakPolarHBondContact O-CD 3.5Å; N385-K389 WeakPolarHBondContact O-CG 3.07Å; N385-K389 PolarHBondContact O-N 3.26Å
386	I	93.7	Very high	87.1	Confident	7 Å²	7	49 Å²	49	4%	0.036	24%	0.243	C	C	.	.	H	α-helix	trans	-64.5	-48.9	174.6	-65.9	162.2	0	0	0	110.6	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 4.19Å; L356-I386 HydrophobicContact CD1-CG2 3.88Å; L356-I386 HydrophobicContact CD2-CG2 4.44Å; E382-I386 WeakPolarHBondContact O-CG1 3.15Å; E382-I386 PolarHBondContact O-N 3.02Å; V383-I386 PolarHBondContact O-N 3.48Å; K384-I386 PolarHBondContact O-N 3.48Å; I386-D388 PolarHBondContact O-N 3.23Å; I386-K389 PolarHBondContact O-N 3.25Å; I386-A390 WeakPolarHBondContact O-CB 3.46Å; I386-A390 PolarHBondContact O-N 3.09Å
387	I	92.4	Very high	84.6	Confident	5 Å²	5	53.6 Å²	53.6	3%	0.026	28%	0.275	C	S	.	.	H	α-helix	trans	-63	-41.8	179.4	-74.8	165.2	0	0	0	111.7	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 3.75Å; L356-I387 HydrophobicContact CD2-CG1 3.77Å; V383-I387 HydrophobicContact CG1-CD1 4.17Å; V383-I387 PolarHBondContact O-N 2.82Å; K384-I387 PolarHBondContact O-N 3.27Å; K384-I387 VanDerWaalsContact O-N 3.12Å; I387-A390 PolarHBondContact O-N 3.16Å; I387-S391 VanDerWaalsContact O-CB 3.26Å; I387-S391 WeakPolarHBondContact O-CB 3.07Å; I387-S391 PolarHBondContact O-N 3.45Å; I387-S391 PolarHBondContact O-OG 3.41Å; I387-I405 HydrophobicContact CG1-CB 4.33Å; I387-I405 HydrophobicContact CG2-CB 4.09Å; I387-I405 HydrophobicContact CG2-CD1 4.49Å; I387-F466 HydrophobicContact CD1-CE1 3.63Å; I387-F466 HydrophobicContact CD1-CZ 4.37Å
388	D	90.4	Very high	82.3	Confident	53 Å²	53	55.1 Å²	55.1	28%	0.283	28%	0.284	S	S	.	.	H	α-helix	trans	-68.3	-35.9	179.5	-70.2	-12.8	0	0	0	111.7	K384 I386 R392	K384-D388 WeakPolarHBondContact CE-OD2 3.41Å; K384-D388 VanDerWaalsContact NZ-CG 3.25Å; K384-D388 IonicContact NZ-OD1 3.76Å; K384-D388 PolarHBondContact NZ-OD1 3.11Å; K384-D388 IonicContact NZ-OD2 3.3Å; K384-D388 PolarHBondContact NZ-OD2 3.2Å; K384-D388 WeakPolarHBondContact O-CB 3.39Å; K384-D388 PolarHBondContact O-N 3.31Å; I386-D388 PolarHBondContact O-N 3.23Å; D388-R392 WeakPolarHBondContact O-CG 3.43Å; D388-R392 PolarHBondContact O-N 3.41Å; D388-R392 PolarHBondContact O-NE 3.32Å; D388-R392 VanDerWaalsContact O-NE 3.1Å
389	K	89.9	Confident	80.2	Confident	113 Å²	113	58 Å²	58	49%	0.491	30%	0.299	S	S	.	.	H	α-helix	trans	-67.6	-44.2	172.7	-74.8	171	-173.8	171.9	0	111.2	N385 I386 N393	N385-K389 WeakPolarHBondContact O-CB 3.34Å; N385-K389 WeakPolarHBondContact O-CD 3.5Å; N385-K389 WeakPolarHBondContact O-CG 3.07Å; N385-K389 PolarHBondContact O-N 3.26Å; I386-K389 PolarHBondContact O-N 3.25Å; K389-N393 PolarHBondContact O-N 2.99Å; K389-N393 PolarHBondContact O-ND2 3.44Å
390	A	88.7	Confident	77.8	Confident	4 Å²	4	59.7 Å²	59.7	3%	0.033	32%	0.316	C	S	.	.	H	α-helix	trans	-64.1	-46.1	177.8	0	0	0	0	0	111.7	L331 I386 I387 R392 N393 L394 I405	L331-A390 HydrophobicContact CD2-CB 3.62Å; I386-A390 WeakPolarHBondContact O-CB 3.46Å; I386-A390 PolarHBondContact O-N 3.09Å; I387-A390 PolarHBondContact O-N 3.16Å; A390-R392 VanDerWaalsContact C-N 3.32Å; A390-R392 PolarHBondContact O-N 2.96Å; A390-N393 WeakPolarHBondContact O-CB 3.27Å; A390-N393 PolarHBondContact O-N 2.9Å; A390-L394 WeakPolarHBondContact O-CD1 3.17Å; A390-L394 PolarHBondContact O-N 3.35Å; A390-I405 HydrophobicContact CB-CD1 3.57Å
391	S	85.8	Confident	75.3	Confident	21 Å²	21	67.2 Å²	67.2	15%	0.147	35%	0.351	C	S	.	.	H	α-helix	trans	-60.8	-38.1	179.5	-58.4	0	0	0	0	112.4	I387 N393 L394	I387-S391 VanDerWaalsContact O-CB 3.26Å; I387-S391 WeakPolarHBondContact O-CB 3.07Å; I387-S391 PolarHBondContact O-N 3.45Å; I387-S391 PolarHBondContact O-OG 3.41Å; S391-N393 VanDerWaalsContact C-N 3.26Å; S391-N393 PolarHBondContact O-N 3.28Å; S391-L394 PolarHBondContact O-N 2.86Å
392	R	83.4	Confident	73.2	Confident	186 Å²	186	68.9 Å²	68.9	70%	0.702	36%	0.357	S	S	*	.	H	α-helix	trans	-64.9	-28	174.9	-79.1	-178.8	-74.2	-176.3	-4.4	113.8	D388 A390	D388-R392 WeakPolarHBondContact O-CG 3.43Å; D388-R392 PolarHBondContact O-N 3.41Å; D388-R392 PolarHBondContact O-NE 3.32Å; D388-R392 VanDerWaalsContact O-NE 3.1Å; A390-R392 VanDerWaalsContact C-N 3.32Å; A390-R392 PolarHBondContact O-N 2.96Å
393	N	76.4	Confident	71.5	Confident	123 Å²	123	68.4 Å²	68.4	66%	0.658	37%	0.367	S	S	*	.	H	α-helix	trans	-80.4	-20.6	177.1	-66.8	-25.5	0	0	0	112.3	K389 A390 S391	K389-N393 PolarHBondContact O-N 2.99Å; K389-N393 PolarHBondContact O-ND2 3.44Å; A390-N393 WeakPolarHBondContact O-CB 3.27Å; A390-N393 PolarHBondContact O-N 2.9Å; S391-N393 VanDerWaalsContact C-N 3.26Å; S391-N393 PolarHBondContact O-N 3.28Å
394	L	72.4	Confident	70.7	Confident	32 Å²	32	72 Å²	72	17%	0.168	39%	0.389	C	S	.	.	S	Bend	trans	-81.2	127.5	167.5	-75.4	123.4	0	0	0	109.1	K352 L354 A390 S391 S396 V398 I405	K352-L394 HydrophobicContact CB-CD2 4.35Å; L354-L394 HydrophobicContact CD1-CD1 3.58Å; L354-L394 HydrophobicContact CG-CD1 4.31Å; A390-L394 WeakPolarHBondContact O-CD1 3.17Å; A390-L394 PolarHBondContact O-N 3.35Å; S391-L394 PolarHBondContact O-N 2.86Å; L394-S396 PolarHBondContact O-N 2.72Å; L394-V398 HydrophobicContact CD2-CG1 4.06Å; L394-I405 HydrophobicContact CD1-CD1 4.46Å
395	K	56.8	Low	70.5	Confident	178 Å²	178	69.9 Å²	69.9	77%	0.774	38%	0.38	S	S	*	.			trans	-58.9	135	178	-67.7	-179.4	179.3	179.2	0	109.8	S397 V398	K395-S397 PolarHBondContact O-N 2.87Å; K395-V398 WeakPolarHBondContact O-CG2 3.41Å; K395-V398 PolarHBondContact O-N 2.82Å
396	S	45.1	Very low	70.6	Confident	124 Å²	124	67.1 Å²	67.1	87%	0.867	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-4.3	-168.4	-169.8	0	0	0	0	118	L394	L394-S396 PolarHBondContact O-N 2.72Å
397	S	45.2	Very low	70.8	Confident	98 Å²	98	66.8 Å²	66.8	69%	0.685	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.9	-8	178.1	62.3	0	0	0	0	114.4	K395	K395-S397 PolarHBondContact O-N 2.87Å
398	V	47.4	Very low	71	Confident	31 Å²	31	66.6 Å²	66.6	19%	0.188	36%	0.363	C	S	.	.	S	Bend	trans	-92.5	-25.1	-163.9	176.3	0	0	0	0	114.1	E351 L394 K395 G400	E351-V398 HydrophobicContact CB-CB 4.46Å; E351-V398 HydrophobicContact CB-CG1 3.6Å; E351-V398 HydrophobicContact CB-CG2 4.24Å; E351-V398 HydrophobicContact CG-CG1 4.21Å; E351-V398 HydrophobicContact CG-CG2 4.05Å; E351-V398 WeakPolarHBondContact OE1-CG2 3.14Å; E351-V398 VanDerWaalsContact OE2-CA 3.22Å; E351-V398 WeakPolarHBondContact OE2-CA 3.26Å; E351-V398 WeakPolarHBondContact OE2-CG1 3.44Å; L394-V398 HydrophobicContact CD2-CG1 4.06Å; K395-V398 WeakPolarHBondContact O-CG2 3.41Å; K395-V398 PolarHBondContact O-N 2.82Å; V398-G400 PolarHBondContact O-N 2.99Å; V398-G400 VanDerWaalsContact O-N 3.09Å
399	L	51.4	Low	71.4	Confident	61 Å²	61	64.2 Å²	64.2	32%	0.319	35%	0.35	S	S	.	.			trans	-86.4	83.2	-179.1	-72.2	140.4	0	0	0	108	G403	L399-G403 VanDerWaalsContact CD2-C 3.45Å; L399-G403 WeakPolarHBondContact CD2-O 3.23Å
400	G	47.8	Very low	71.9	Confident	35 Å²	35	58.9 Å²	58.9	36%	0.361	33%	0.327	S	S	.	.			trans	-58.2	-161	171.6	0	0	0	0	0	113.3	V398 F402 G403	V398-G400 PolarHBondContact O-N 2.99Å; V398-G400 VanDerWaalsContact O-N 3.09Å; G400-F402 PolarHBondContact O-N 3.33Å; G400-G403 PolarHBondContact O-N 2.79Å
401	E	42.1	Very low	72.3	Confident	160 Å²	160	58.7 Å²	58.7	75%	0.748	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-38.3	-24.6	-171.7	-79.6	-177.4	143.7	0	0	118.2
402	F	51.3	Low	72.9	Confident	47 Å²	47	57.8 Å²	57.8	21%	0.206	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98	-8.7	-177.3	-55	-63.9	0	0	0	116.2	G400 T404 P498 Q499	G400-F402 PolarHBondContact O-N 3.33Å; F402-T404 PolarHBondContact O-N 3.08Å; F402-T404 PolarHBondContact O-OG1 2.74Å; F402-P498 HydrophobicContact CD1-CG 3.74Å; F402-P498 HydrophobicContact CE1-CB 4.38Å; F402-P498 HydrophobicContact CE1-CG 3.72Å; F402-Q499 HydrophobicContact CB-CG 3.65Å; F402-Q499 HydrophobicContact CD1-CG 4.12Å; F402-Q499 HydrophobicContact CD2-CG 4.37Å; F402-Q499 HydrophobicContact CG-CG 3.8Å
403	G	58.6	Low	73.7	Confident	44 Å²	44	49 Å²	49	45%	0.454	29%	0.286	S	S	.	.			trans	61.6	-8.5	162.4	0	0	0	0	0	119.6	L399 G400	L399-G403 VanDerWaalsContact CD2-C 3.45Å; L399-G403 WeakPolarHBondContact CD2-O 3.23Å; G400-G403 PolarHBondContact O-N 2.79Å
404	T	79	Confident	74.7	Confident	78 Å²	78	44.3 Å²	44.3	48%	0.479	26%	0.261	S	S	.	.	S	Bend	trans	-147.5	157.4	-172.2	54.9	0	0	0	0	112.6	F402 Q499	F402-T404 PolarHBondContact O-N 3.08Å; F402-T404 PolarHBondContact O-OG1 2.74Å; T404-Q499 PolarHBondContact O-NE2 3.01Å
405	I	90.6	Very high	75.9	Confident	9 Å²	9	43.2 Å²	43.2	5%	0.046	26%	0.256	C	S	.	.			trans	-73.4	128.1	175.1	-63.4	167.5	0	0	0	108.8	L331 L354 L356 I387 A390 L394	L331-I405 HydrophobicContact CD1-CD1 4.27Å; L331-I405 HydrophobicContact CD1-CG2 4.15Å; L354-I405 HydrophobicContact CB-CD1 4.36Å; L354-I405 HydrophobicContact CB-CG1 4.34Å; L354-I405 HydrophobicContact CB-CG2 4.08Å; L354-I405 HydrophobicContact CD1-CD1 4.09Å; L356-I405 HydrophobicContact CB-CG2 4.36Å; I387-I405 HydrophobicContact CG1-CB 4.33Å; I387-I405 HydrophobicContact CG2-CB 4.09Å; I387-I405 HydrophobicContact CG2-CD1 4.49Å; A390-I405 HydrophobicContact CB-CD1 3.57Å; L394-I405 HydrophobicContact CD1-CD1 4.46Å
406	P	94.1	Very high	77.9	Confident	0 Å²	0	38 Å²	38	0%	0	24%	0.236	C	C	.	.			trans	-64.2	142.5	178.7	26.2	-34.8	0	0	0	111.7	L354 I355 L356 Q499 L500 L540	L354-P406 WeakPolarHBondContact O-CD 3.34Å; L354-P406 WeakPolarHBondContact O-CG 3.42Å; I355-P406 HydrophobicContact CB-CG 4.28Å; I355-P406 HydrophobicContact CG1-CG 4.17Å; L356-P406 PolarHBondContact N-O 3.4Å; P406-Q499 HydrophobicContact CB-CB 4.2Å; P406-L500 HydrophobicContact CB-CD1 4.03Å; P406-L500 HydrophobicContact CB-CG 4.32Å; P406-L540 HydrophobicContact CB-CD1 4.14Å; P406-L540 HydrophobicContact CG-CD1 3.82Å
407	L	97.1	Very high	80.3	Confident	1 Å²	1	35.2 Å²	35.2	1%	0.005	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	134.5	177.7	172.5	62.6	0	0	0	110.7	L356 A358 V383 L409 F466 L468 Y495 S496	L356-L407 HydrophobicContact CB-CD1 4.38Å; L356-L407 HydrophobicContact CD2-CD1 4.08Å; L356-L407 HydrophobicContact CG-CD1 4.36Å; L356-L407 WeakPolarHBondContact O-CA 3.35Å; A358-L407 HydrophobicContact CB-CD1 3.91Å; V383-L407 HydrophobicContact CG1-CD1 3.96Å; V383-L407 HydrophobicContact CG1-CD2 3.75Å; L407-L409 HydrophobicContact CG-CB 4.39Å; L407-F466 HydrophobicContact CB-CD1 4.46Å; L407-F466 HydrophobicContact CD2-CD1 3.88Å; L407-F466 HydrophobicContact CD2-CD2 4.44Å; L407-F466 HydrophobicContact CD2-CE1 4.08Å; L407-F466 HydrophobicContact CD2-CG 4.07Å; L407-F466 HydrophobicContact CD2-CZ 4.43Å; L407-L468 HydrophobicContact CD2-CD2 4.15Å; L407-L468 HydrophobicContact CG-CD2 4.47Å; L407-Y495 WeakPolarHBondContact O-CA 3.28Å; L407-S496 PolarHBondContact N-OG 3.16Å; L407-S496 PolarHBondContact O-N 2.8Å
408	V	98.6	Very high	82.7	Confident	0 Å²	0	36 Å²	36	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	121.4	159.7	176.7	0	0	0	0	107.7	F189 V191 I355 L356 V357 A358 I493 F494 L500 L538	F189-V408 HydrophobicContact CE2-CG2 4.29Å; F189-V408 HydrophobicContact CZ-CG2 4.29Å; V191-V408 HydrophobicContact CG1-CG1 3.96Å; V191-V408 HydrophobicContact CG2-CG1 4.15Å; I355-V408 HydrophobicContact CD1-CG2 3.97Å; L356-V408 PolarHBondContact O-N 3.45Å; V357-V408 CarbonylContact C-O 3.6Å; V357-V408 WeakPolarHBondContact CA-O 3.46Å; A358-V408 PolarHBondContact N-O 2.87Å; V408-I493 HydrophobicContact CG1-CG2 4.36Å; V408-F494 CarbonylContact C-O 3.32Å; V408-F494 WeakPolarHBondContact CA-O 3.23Å; V408-L500 HydrophobicContact CG2-CD1 3.72Å; V408-L538 HydrophobicContact CG1-CD1 4.39Å; V408-L538 HydrophobicContact CG2-CD1 3.79Å
409	L	98.7	Very high	85.1	Confident	4 Å²	4	35.2 Å²	35.2	2%	0.021	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	109.2	-178.8	168.9	64.4	0	0	0	109.2	A358 F379 L380 L407 L425 L468 I493 F494	A358-L409 HydrophobicContact CB-CD1 3.87Å; 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 4.1Å; L407-L409 HydrophobicContact CG-CB 4.39Å; L409-L425 HydrophobicContact CD2-CD2 3.85Å; L409-L468 HydrophobicContact CD2-CD1 4.19Å; L409-I493 CarbonylContact O-C 3.52Å; L409-F494 HydrophobicContact CB-CB 4.06Å; L409-F494 HydrophobicContact CD2-CB 4.41Å; L409-F494 HydrophobicContact CG-CB 4.47Å; L409-F494 PolarHBondContact N-O 3.1Å; L409-F494 PolarHBondContact O-N 2.89Å
410	C	98.8	Very high	87.3	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	137.7	168.3	-62.6	0	0	0	0	108.8	V191 C193 S237 A358 N359 A360 Y492	V191-C410 VanDerWaalsContact CG1-SG 3.58Å; C193-C410 HydrophobicContact CB-CB 3.95Å; S237-C410 WeakPolarHBondContact OG-CB 3.44Å; S237-C410 PolarHBondContact OG-SG 2.73Å; S237-C410 VanDerWaalsContact OG-SG 3.4Å; A358-C410 PolarHBondContact O-N 3.47Å; N359-C410 WeakPolarHBondContact CA-O 3.28Å; A360-C410 PolarHBondContact N-O 3Å; A360-C410 VanDerWaalsContact N-O 3.15Å; C410-Y492 WeakPolarHBondContact CA-O 3.26Å
411	A	98.4	Very high	89.7	Confident	1 Å²	1	30.7 Å²	30.7	1%	0.008	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.9	144.8	172.5	0	0	0	0	0	112.7	A360 L413 D491 Y492	A360-A411 HydrophobicContact CB-CB 4.34Å; A360-A411 VanDerWaalsContact O-CA 3.23Å; A360-A411 WeakPolarHBondContact O-CA 3.09Å; A360-A411 WeakPolarHBondContact O-CB 3.08Å; A411-L413 HydrophobicContact CB-CD2 3.49Å; A411-L413 VanDerWaalsContact CB-CD2 3.49Å; A411-L413 HydrophobicContact CB-CG 3.8Å; A411-D491 WeakPolarHBondContact O-CA 3.39Å; A411-Y492 PolarHBondContact N-O 2.67Å; A411-Y492 PolarHBondContact O-N 2.84Å
412	D	98.6	Very high	92.3	Very high	1 Å²	1	23.7 Å²	23.7	1%	0.005	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	103.3	150.8	-176.2	-16.1	0	0	0	107.1	N195 Q239 A360 H361 M362 N414 H531	N195-D412 PolarHBondContact ND2-OD2 3.41Å; Q239-D412 HydrophobicContact CG-CB 4.13Å; A360-D412 PolarHBondContact O-N 3.13Å; A360-D412 VanDerWaalsContact O-N 3.08Å; H361-D412 WeakPolarHBondContact CA-O 3.48Å; H361-D412 IonicContact CD2-OD2 2.71Å; H361-D412 IonicContact NE2-OD2 3Å; M362-D412 PolarHBondContact N-O 2.81Å; D412-N414 PolarHBondContact OD1-N 3.33Å; D412-N414 PolarHBondContact OD1-ND2 3.27Å; D412-H531 IonicContact OD2-CE1 3.92Å; D412-H531 PolarHBondContact OD2-CE1 3.49Å; D412-H531 VanDerWaalsContact OD2-CE1 3.27Å; D412-H531 IonicContact OD2-NE2 3.74Å
413	L	98.5	Very high	94.5	Very high	1 Å²	1	24.8 Å²	24.8	1%	0.005	15%	0.149	C	C	.	.			trans	-88.1	-10.9	-176.8	-65.9	179.7	0	0	0	112.4	M362 A411 S415 V421 L425 I490 Y492 F494	M362-L413 HydrophobicContact CE-CD2 3.94Å; M362-L413 HydrophobicContact CG-CD2 3.79Å; A411-L413 HydrophobicContact CB-CD2 3.49Å; A411-L413 VanDerWaalsContact CB-CD2 3.49Å; A411-L413 HydrophobicContact CB-CG 3.8Å; L413-S415 WeakPolarHBondContact O-CB 3.44Å; L413-S415 PolarHBondContact O-N 3.2Å; L413-S415 PolarHBondContact O-OG 3.22Å; L413-V421 HydrophobicContact CB-CG1 4.32Å; L413-V421 HydrophobicContact CD1-CG1 3.86Å; L413-V421 HydrophobicContact CD2-CG1 4.23Å; L413-V421 HydrophobicContact CG-CG1 4.38Å; L413-L425 HydrophobicContact CD1-CD1 3.56Å; L413-I490 PolarHBondContact N-O 3.02Å; L413-Y492 HydrophobicContact CB-CD2 4.1Å; L413-Y492 HydrophobicContact CB-CE2 4.22Å; L413-Y492 HydrophobicContact CD1-CD2 3.43Å; L413-Y492 VanDerWaalsContact CD1-CD2 3.43Å; L413-Y492 HydrophobicContact CD1-CE2 3.93Å; L413-Y492 HydrophobicContact CD1-CG 4.03Å; L413-Y492 HydrophobicContact CG-CD2 3.87Å; L413-Y492 HydrophobicContact CG-CE2 4.42Å; L413-F494 HydrophobicContact CD1-CE2 4.33Å
414	N	98.4	Very high	96.3	Very high	26 Å²	26	22.7 Å²	22.7	14%	0.139	13%	0.128	C	C	.	.			trans	47	32.8	-171.5	-80.6	-67.5	0	0	0	112.9	H361 M362 H363 K372 D412	H361-N414 PolarHBondContact NE2-ND2 2.77Å; M362-N414 PolarHBondContact O-ND2 2.82Å; M362-N414 VanDerWaalsContact O-ND2 3.08Å; H363-N414 VanDerWaalsContact O-CB 3.26Å; H363-N414 WeakPolarHBondContact O-CB 3.3Å; K372-N414 HydrophobicContact CD-CB 4.39Å; K372-N414 WeakPolarHBondContact CD-O 3.33Å; K372-N414 PolarHBondContact NZ-O 3.27Å; D412-N414 PolarHBondContact OD1-N 3.33Å; D412-N414 PolarHBondContact OD1-ND2 3.27Å
415	S	98.2	Very high	97.2	Very high	9 Å²	9	19 Å²	19	6%	0.063	11%	0.105	C	C	.	.			trans	-141	128.9	-168.5	-64.8	0	0	0	0	109.8	K372 L413 S419 Y492	K372-S415 WeakPolarHBondContact CD-OG 3.43Å; L413-S415 WeakPolarHBondContact O-CB 3.44Å; L413-S415 PolarHBondContact O-N 3.2Å; L413-S415 PolarHBondContact O-OG 3.22Å; S415-S419 WeakPolarHBondContact CB-OG 3.48Å; S415-Y492 WeakPolarHBondContact O-CE2 3.48Å; S415-Y492 PolarHBondContact O-OH 2.81Å
416	L	97.6	Very high	97.4	Very high	68 Å²	68	21.3 Å²	21.3	36%	0.356	12%	0.122	S	C	.	.			trans	-72.4	162.7	-177.8	-69.4	173.5	0	0	0	112.4	D418 S419 V422 F486 I490	L416-D418 VanDerWaalsContact CB-OD1 3.23Å; L416-D418 WeakPolarHBondContact CB-OD1 3.42Å; L416-D418 PolarHBondContact O-N 3.34Å; L416-D418 VanDerWaalsContact O-N 3.1Å; L416-S419 WeakPolarHBondContact O-CB 3.22Å; L416-S419 PolarHBondContact O-N 2.93Å; L416-S419 PolarHBondContact O-OG 3.13Å; L416-V422 WeakPolarHBondContact O-CG2 3.04Å; L416-F486 HydrophobicContact CD2-CE2 4.29Å; L416-F486 HydrophobicContact CD2-CZ 3.96Å; L416-I490 HydrophobicContact CD2-CG2 4.36Å
417	P	96.8	Very high	97.4	Very high	65 Å²	65	25.2 Å²	25.2	42%	0.422	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-23.6	-178.3	-25.9	34.6	0	0	0	115.7	V422 I489 Y492	P417-V422 WeakPolarHBondContact O-CG1 3.29Å; P417-I489 HydrophobicContact CG-CB 3.98Å; P417-I489 HydrophobicContact CG-CD1 4.02Å; P417-I489 HydrophobicContact CG-CG2 4.35Å; P417-Y492 WeakPolarHBondContact CD-OH 3.37Å
418	D	95.4	Very high	97.2	Very high	116 Å²	116	25.8 Å²	25.8	62%	0.62	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.8	6.2	179.2	68	-42.4	0	0	0	113.7	L416	L416-D418 VanDerWaalsContact CB-OD1 3.23Å; L416-D418 WeakPolarHBondContact CB-OD1 3.42Å; L416-D418 PolarHBondContact O-N 3.34Å; L416-D418 VanDerWaalsContact O-N 3.1Å
419	S	97.4	Very high	96.9	Very high	14 Å²	14	25.8 Å²	25.8	10%	0.098	15%	0.152	C	C	.	.	S	Bend	trans	-77.4	157	176.9	67.3	0	0	0	0	113	S415 L416 V421 V422 E423	S415-S419 WeakPolarHBondContact CB-OG 3.48Å; L416-S419 WeakPolarHBondContact O-CB 3.22Å; L416-S419 PolarHBondContact O-N 2.93Å; L416-S419 PolarHBondContact O-OG 3.13Å; S419-V421 PolarHBondContact O-N 2.96Å; S419-V422 PolarHBondContact O-N 3.26Å; S419-V422 PolarHBondContact OG-N 2.82Å; S419-E423 PolarHBondContact O-N 3.04Å
420	G	97.1	Very high	96.6	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-62.6	-23.8	172.2	0	0	0	0	0	113.1	L373 Y424 H434 D436	L373-G420 WeakPolarHBondContact CD1-O 3.42Å; G420-Y424 WeakPolarHBondContact O-CB 3.29Å; G420-Y424 PolarHBondContact O-N 3.14Å; G420-H434 WeakPolarHBondContact CA-CE1 3.25Å; G420-D436 WeakPolarHBondContact CA-OD2 3.36Å; G420-D436 PolarHBondContact N-OD2 3.27Å
421	V	97.9	Very high	96.2	Very high	1 Å²	1	29 Å²	29	1%	0.006	17%	0.167	C	C	.	.	H	α-helix	trans	-63.3	-51.5	173.4	172.5	0	0	0	0	110.3	K372 L373 T376 L413 S419 Y424 L425	K372-V421 HydrophobicContact CB-CG2 3.98Å; L373-V421 HydrophobicContact CB-CG2 4.12Å; L373-V421 HydrophobicContact CD1-CG2 4.24Å; T376-V421 HydrophobicContact CG2-CG1 4.14Å; T376-V421 WeakPolarHBondContact OG1-CG1 3.32Å; L413-V421 HydrophobicContact CB-CG1 4.32Å; L413-V421 HydrophobicContact CD1-CG1 3.86Å; L413-V421 HydrophobicContact CD2-CG1 4.23Å; L413-V421 HydrophobicContact CG-CG1 4.38Å; S419-V421 PolarHBondContact O-N 2.96Å; V421-Y424 PolarHBondContact O-N 3.1Å; V421-L425 HydrophobicContact CG1-CD1 4.25Å; V421-L425 WeakPolarHBondContact O-CG 3.25Å; V421-L425 PolarHBondContact O-N 2.95Å; V421-L425 VanDerWaalsContact O-N 3.09Å
422	V	97.6	Very high	95.6	Very high	13 Å²	13	30.5 Å²	30.5	8%	0.079	18%	0.176	C	C	.	.	H	α-helix	trans	-72.2	-36.3	-178.1	176	0	0	0	0	110.8	L416 P417 S419 L425 S426 Y492 F494	L416-V422 WeakPolarHBondContact O-CG2 3.04Å; P417-V422 WeakPolarHBondContact O-CG1 3.29Å; S419-V422 PolarHBondContact O-N 3.26Å; S419-V422 PolarHBondContact OG-N 2.82Å; V422-L425 PolarHBondContact O-N 3.31Å; V422-S426 WeakPolarHBondContact O-CB 3.2Å; V422-S426 PolarHBondContact O-N 3.5Å; V422-S426 PolarHBondContact O-OG 3.44Å; V422-Y492 HydrophobicContact CG2-CE1 4.09Å; V422-Y492 HydrophobicContact CG2-CE2 4.14Å; V422-F494 HydrophobicContact CG1-CZ 4.42Å
423	E	97.1	Very high	95.1	Very high	70 Å²	70	36.7 Å²	36.7	33%	0.327	21%	0.209	S	C	.	.	H	α-helix	trans	-58.2	-49.6	170.5	-175.1	-169.9	142.7	0	0	111.3	S419 L425 S426 T427 H434	S419-E423 PolarHBondContact O-N 3.04Å; E423-L425 PolarHBondContact O-N 3.38Å; E423-S426 PolarHBondContact O-N 3.01Å; E423-T427 HydrophobicContact CG-CG2 4.1Å; E423-T427 WeakPolarHBondContact O-CB 3.34Å; E423-T427 WeakPolarHBondContact O-CG2 3.43Å; E423-T427 PolarHBondContact O-N 3.49Å; E423-T427 PolarHBondContact O-OG1 3.02Å; E423-H434 IonicContact OE2-CD2 3.27Å; E423-H434 IonicContact OE2-NE2 3.86Å; E423-H434 PolarHBondContact OE2-NE2 3.17Å
424	Y	96.9	Very high	94.8	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-55.3	-53.1	179	173.2	-106	0	0	0	110.6	L373 T376 M377 L380 G420 V421 S426 G428 G429 V430 I462 H464	L373-Y424 HydrophobicContact CD1-CG 4.49Å; T376-Y424 HydrophobicContact CG2-CD1 3.95Å; T376-Y424 HydrophobicContact CG2-CE1 4.25Å; M377-Y424 HydrophobicContact CE-CD2 3.86Å; M377-Y424 HydrophobicContact CE-CE2 4.06Å; M377-Y424 HydrophobicContact CE-CG 4.35Å; M377-Y424 HydrophobicContact CG-CD1 4.35Å; M377-Y424 HydrophobicContact CG-CD2 4.42Å; M377-Y424 HydrophobicContact CG-CE1 3.92Å; M377-Y424 HydrophobicContact CG-CE2 4.03Å; L380-Y424 HydrophobicContact CB-CE1 4.39Å; L380-Y424 HydrophobicContact CD2-CE1 3.84Å; L380-Y424 HydrophobicContact CG-CE1 4.5Å; G420-Y424 WeakPolarHBondContact O-CB 3.29Å; G420-Y424 PolarHBondContact O-N 3.14Å; V421-Y424 PolarHBondContact O-N 3.1Å; Y424-S426 PolarHBondContact O-N 2.95Å; Y424-G428 CarbonylContact O-C 3.43Å; Y424-G428 PolarHBondContact O-N 3.48Å; Y424-G428 VanDerWaalsContact O-N 3.14Å; Y424-G429 PolarHBondContact O-N 2.9Å; Y424-V430 HydrophobicContact CD2-CB 4.38Å; Y424-V430 HydrophobicContact CD2-CG1 4Å; Y424-I462 HydrophobicContact CE2-CG2 4.12Å; Y424-H464 AromaticContact CE1-CD2 3.76Å; Y424-H464 AromaticContact CE2-CD2 3.83Å; Y424-H464 AromaticContact CZ-CD2 3.56Å; Y424-H464 PolarHBondContact O-CD2 2.8Å; Y424-H464 PolarHBondContact O-NE2 2.87Å
425	L	96.9	Very high	94.6	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-61.8	-44.2	-179.3	-68.4	172	0	0	0	112.8	T376 L380 L409 L413 V421 V422 E423 H464 L468 F494	T376-L425 HydrophobicContact CG2-CD1 4.14Å; T376-L425 HydrophobicContact CG2-CD2 3.76Å; T376-L425 HydrophobicContact CG2-CG 3.93Å; L380-L425 HydrophobicContact CD1-CD2 3.52Å; L380-L425 HydrophobicContact CD2-CD2 3.64Å; L380-L425 HydrophobicContact CG-CD2 4.23Å; L409-L425 HydrophobicContact CD2-CD2 3.85Å; L413-L425 HydrophobicContact CD1-CD1 3.56Å; V421-L425 HydrophobicContact CG1-CD1 4.25Å; V421-L425 WeakPolarHBondContact O-CG 3.25Å; V421-L425 PolarHBondContact O-N 2.95Å; V421-L425 VanDerWaalsContact O-N 3.09Å; V422-L425 PolarHBondContact O-N 3.31Å; E423-L425 PolarHBondContact O-N 3.38Å; L425-H464 PolarHBondContact O-CE1 3.27Å; L425-H464 PolarHBondContact O-NE2 3.43Å; L425-L468 HydrophobicContact CD2-CD1 3.96Å; L425-L468 WeakPolarHBondContact O-CB 3.18Å; L425-F494 HydrophobicContact CB-CD1 4.43Å; L425-F494 HydrophobicContact CB-CE1 3.98Å; L425-F494 HydrophobicContact CB-CE2 4.29Å; L425-F494 HydrophobicContact CB-CZ 3.9Å; L425-F494 HydrophobicContact CD1-CD2 4.07Å; L425-F494 HydrophobicContact CD1-CE2 3.68Å; L425-F494 HydrophobicContact CD1-CZ 4.1Å
426	S	95.5	Very high	94.3	Very high	57 Å²	57	44 Å²	44	40%	0.399	24%	0.239	S	C	.	.	H	α-helix	trans	-81.8	-35.3	-170.7	-53.3	0	0	0	0	113.1	V422 E423 Y424	V422-S426 WeakPolarHBondContact O-CB 3.2Å; V422-S426 PolarHBondContact O-N 3.5Å; V422-S426 PolarHBondContact O-OG 3.44Å; E423-S426 PolarHBondContact O-N 3.01Å; Y424-S426 PolarHBondContact O-N 2.95Å
427	T	94.8	Very high	94.1	Very high	82 Å²	82	40.9 Å²	40.9	50%	0.503	22%	0.223	S	C	.	.	H	α-helix	trans	-97.6	-3.7	-176.1	74	0	0	0	0	113.1	E423 G429 R461	E423-T427 HydrophobicContact CG-CG2 4.1Å; E423-T427 WeakPolarHBondContact O-CB 3.34Å; E423-T427 WeakPolarHBondContact O-CG2 3.43Å; E423-T427 PolarHBondContact O-N 3.49Å; E423-T427 PolarHBondContact O-OG1 3.02Å; T427-G429 PolarHBondContact OG1-O 3.16Å; T427-R461 PolarHBondContact O-NH2 3.4Å
428	G	92.4	Very high	93.7	Very high	13 Å²	13	41.6 Å²	41.6	13%	0.134	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.6	15.1	-178.2	0	0	0	0	0	113.9	Y424 T463 H464	Y424-G428 CarbonylContact O-C 3.43Å; Y424-G428 PolarHBondContact O-N 3.48Å; Y424-G428 VanDerWaalsContact O-N 3.14Å; G428-T463 CarbonylContact O-C 3.53Å; G428-T463 VanDerWaalsContact O-CA 3.22Å; G428-T463 WeakPolarHBondContact O-CA 3.46Å; G428-T463 WeakPolarHBondContact O-CB 3.37Å; G428-H464 WeakPolarHBondContact CA-NE2 3.12Å; G428-H464 PolarHBondContact O-N 3.42Å
429	G	92.1	Very high	93	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	162	172	178	0	0	0	0	0	114.7	Y424 T427 R461 I462	Y424-G429 PolarHBondContact O-N 2.9Å; T427-G429 PolarHBondContact OG1-O 3.16Å; G429-R461 VanDerWaalsContact O-CZ 3.29Å; G429-R461 PolarHBondContact O-NH1 3.08Å; G429-R461 PolarHBondContact O-NH2 3.4Å; G429-I462 CarbonylContact C-O 3.48Å; G429-I462 WeakPolarHBondContact CA-O 3.21Å
430	V	93.1	Very high	92.1	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	153	177.9	71.1	0	0	0	0	109.9	L373 M377 Y424 H434 F437 R461 I462	L373-V430 HydrophobicContact CD1-CG1 4.4Å; L373-V430 HydrophobicContact CD2-CG1 4.36Å; M377-V430 HydrophobicContact CE-CG1 3.25Å; Y424-V430 HydrophobicContact CD2-CB 4.38Å; Y424-V430 HydrophobicContact CD2-CG1 4Å; V430-H434 HydrophobicContact CG2-CB 3.64Å; V430-H434 VanDerWaalsContact CG2-CD2 3.46Å; V430-H434 WeakPolarHBondContact CG2-CD2 3.39Å; V430-F437 HydrophobicContact CG1-CE2 4.39Å; V430-R461 VanDerWaalsContact O-CG 3.32Å; V430-R461 WeakPolarHBondContact O-CG 3.25Å; V430-I462 PolarHBondContact N-O 3.16Å; V430-I462 PolarHBondContact O-N 3.41Å
431	E	89.9	Confident	90.7	Very high	73 Å²	73	57.7 Å²	57.7	34%	0.341	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	143.6	174.6	-62	-59	142.7	0	0	111.4	N433 H434 R461	E431-N433 VanDerWaalsContact CB-OD1 3.23Å; E431-N433 WeakPolarHBondContact CB-OD1 3.44Å; E431-N433 PolarHBondContact O-N 2.91Å; E431-H434 WeakPolarHBondContact O-CB 3.45Å; E431-H434 PolarHBondContact O-N 3.22Å; E431-H434 VanDerWaalsContact O-N 3.11Å; E431-R461 VanDerWaalsContact OE1-CD 3.22Å; E431-R461 WeakPolarHBondContact OE1-CD 3.28Å; E431-R461 WeakPolarHBondContact OE1-CG 3.44Å
432	T	85.6	Confident	89.5	Confident	31 Å²	31	57.8 Å²	57.8	19%	0.19	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-21.2	179.2	50.6	0	0	0	0	112.9	F437 G460 I462	T432-F437 WeakPolarHBondContact O-CD2 3.46Å; T432-G460 VanDerWaalsContact CB-O 3.25Å; T432-G460 WeakPolarHBondContact CB-O 3.35Å; T432-G460 WeakPolarHBondContact CG2-O 3.42Å; T432-G460 PolarHBondContact N-O 3.1Å; T432-G460 PolarHBondContact OG1-O 2.98Å; T432-I462 HydrophobicContact CG2-CD1 3.88Å; T432-I462 HydrophobicContact CG2-CG1 3.76Å
433	N	87.3	Confident	87.6	Confident	131 Å²	131	61.7 Å²	61.7	70%	0.701	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97	14.2	175.9	68.3	-8.9	0	0	0	113.1	E431	E431-N433 VanDerWaalsContact CB-OD1 3.23Å; E431-N433 WeakPolarHBondContact CB-OD1 3.44Å; E431-N433 PolarHBondContact O-N 2.91Å
434	H	92.8	Very high	86.1	Confident	26 Å²	26	65.8 Å²	65.8	12%	0.12	32%	0.322	C	S	.	.			trans	-57.1	140.7	179.8	-175.1	-86.3	0	0	0	111.8	G420 E423 V430 E431 D436 F437	G420-H434 WeakPolarHBondContact CA-CE1 3.25Å; E423-H434 IonicContact OE2-CD2 3.27Å; E423-H434 IonicContact OE2-NE2 3.86Å; E423-H434 PolarHBondContact OE2-NE2 3.17Å; V430-H434 HydrophobicContact CG2-CB 3.64Å; V430-H434 VanDerWaalsContact CG2-CD2 3.46Å; V430-H434 WeakPolarHBondContact CG2-CD2 3.39Å; E431-H434 WeakPolarHBondContact O-CB 3.45Å; E431-H434 PolarHBondContact O-N 3.22Å; E431-H434 VanDerWaalsContact O-N 3.11Å; H434-D436 IonicContact CE1-OD1 3.57Å; H434-D436 PolarHBondContact CE1-OD1 3.01Å; H434-D436 IonicContact CE1-OD2 3.63Å; H434-D436 WeakPolarHBondContact ND1-CB 3.45Å; H434-D436 PolarHBondContact ND1-N 2.84Å; H434-D436 VanDerWaalsContact ND1-N 3.13Å; H434-D436 IonicContact ND1-OD1 3.48Å; H434-D436 PolarHBondContact O-N 2.74Å; H434-F437 HydrophobicContact CB-CD2 4.04Å; H434-F437 HydrophobicContact CB-CE2 4.27Å; H434-F437 WeakPolarHBondContact O-CB 3.33Å; H434-F437 PolarHBondContact O-N 3.15Å
435	K	93.4	Very high	84.9	Confident	143 Å²	143	65.9 Å²	65.9	62%	0.622	32%	0.322	S	S	*	.	G	3₁₀ helix	trans	-51.6	-34.4	-175.3	62.3	175.3	-176.1	176.3	0	113.4	F437 K438	K435-F437 PolarHBondContact O-N 3.5Å; K435-K438 PolarHBondContact O-N 3.03Å
436	D	93.8	Very high	83.9	Confident	20 Å²	20	66 Å²	66	11%	0.107	32%	0.323	C	S	.	.	G	3₁₀ helix	trans	-66.9	-18.5	-177.9	-71.6	15.9	0	0	0	112.8	S369 D370 L373 G420 H434 K438	S369-D436 CarbonylContact C-O 3.51Å; S369-D436 PolarHBondContact OG-O 2.98Å; D370-D436 WeakPolarHBondContact CA-O 3.23Å; D370-D436 VanDerWaalsContact CB-O 3.29Å; D370-D436 WeakPolarHBondContact CB-O 3.44Å; D370-D436 PolarHBondContact N-O 2.78Å; L373-D436 HydrophobicContact CD2-CB 4.16Å; G420-D436 WeakPolarHBondContact CA-OD2 3.36Å; G420-D436 PolarHBondContact N-OD2 3.27Å; H434-D436 IonicContact CE1-OD1 3.57Å; H434-D436 PolarHBondContact CE1-OD1 3.01Å; H434-D436 IonicContact CE1-OD2 3.63Å; H434-D436 WeakPolarHBondContact ND1-CB 3.45Å; H434-D436 PolarHBondContact ND1-N 2.84Å; H434-D436 VanDerWaalsContact ND1-N 3.13Å; H434-D436 IonicContact ND1-OD1 3.48Å; H434-D436 PolarHBondContact O-N 2.74Å; D436-K438 PolarHBondContact O-N 2.89Å
437	F	91.7	Very high	82.8	Confident	3 Å²	3	65.2 Å²	65.2	1%	0.013	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-74.6	-4.7	169.9	-68.3	-59.7	0	0	0	113.5	L373 V374 M377 V430 T432 H434 K435 E439 L440 Y442 L446 I462	L373-F437 HydrophobicContact CB-CE1 4.4Å; L373-F437 HydrophobicContact CD2-CD1 4.18Å; L373-F437 HydrophobicContact CD2-CD2 4.2Å; L373-F437 HydrophobicContact CD2-CE1 3.67Å; L373-F437 HydrophobicContact CD2-CE2 3.69Å; L373-F437 HydrophobicContact CD2-CG 4.42Å; L373-F437 HydrophobicContact CD2-CZ 3.41Å; L373-F437 VanDerWaalsContact CD2-CZ 3.41Å; L373-F437 HydrophobicContact CG-CE1 3.91Å; L373-F437 HydrophobicContact CG-CZ 3.83Å; V374-F437 HydrophobicContact CG2-CD1 4.48Å; V374-F437 HydrophobicContact CG2-CE1 3.94Å; M377-F437 HydrophobicContact CE-CE2 4.48Å; M377-F437 HydrophobicContact CE-CZ 3.69Å; M377-F437 HydrophobicContact SD-CZ 4.09Å; V430-F437 HydrophobicContact CG1-CE2 4.39Å; T432-F437 WeakPolarHBondContact O-CD2 3.46Å; H434-F437 HydrophobicContact CB-CD2 4.04Å; H434-F437 HydrophobicContact CB-CE2 4.27Å; H434-F437 WeakPolarHBondContact O-CB 3.33Å; H434-F437 PolarHBondContact O-N 3.15Å; K435-F437 PolarHBondContact O-N 3.5Å; F437-E439 PolarHBondContact O-N 3.12Å; F437-L440 VanDerWaalsContact O-CB 3.26Å; F437-L440 WeakPolarHBondContact O-CB 3.3Å; F437-L440 WeakPolarHBondContact O-CG 3.47Å; F437-L440 PolarHBondContact O-N 3.21Å; F437-Y442 HydrophobicContact CB-CD2 4.32Å; F437-Y442 AromaticContact CD1-CD2 3.83Å; F437-Y442 HydrophobicContact CD1-CD2 3.83Å; F437-Y442 HydrophobicContact CD1-CE2 4.1Å; F437-Y442 HydrophobicContact CG-CD2 4.4Å; F437-L446 HydrophobicContact CD1-CD1 4.26Å; F437-L446 HydrophobicContact CE1-CD1 3.63Å; F437-L446 HydrophobicContact CE2-CD1 4.4Å; F437-L446 HydrophobicContact CZ-CD1 3.7Å; F437-I462 HydrophobicContact CZ-CD1 4.23Å
438	K	88.9	Confident	82	Confident	80 Å²	80	63.6 Å²	63.6	35%	0.348	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.3	33.5	176.9	-60.2	-169.1	166.3	-160.3	0	113.9	E367 K435 D436 L440	E367-K438 VanDerWaalsContact O-CE 3.32Å; E367-K438 WeakPolarHBondContact O-CE 3.06Å; E367-K438 PolarHBondContact O-NZ 3.4Å; E367-K438 IonicContact OE2-NZ 3.65Å; E367-K438 PolarHBondContact OE2-NZ 2.85Å; K435-K438 PolarHBondContact O-N 3.03Å; D436-K438 PolarHBondContact O-N 2.89Å; K438-L440 HydrophobicContact CB-CD1 4.27Å; K438-L440 HydrophobicContact CB-CG 4.23Å; K438-L440 PolarHBondContact O-N 3.06Å
439	E	80.8	Confident	81.3	Confident	195 Å²	195	63.3 Å²	63.3	91%	0.911	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.4	14.7	-175	-54.7	-179.8	173.7	0	0	114.3	F437	F437-E439 PolarHBondContact O-N 3.12Å
440	L	77.8	Confident	80.7	Confident	57 Å²	57	63.8 Å²	63.8	30%	0.298	30%	0.302	S	S	.	.			trans	-73	136.8	177.2	-62.2	169.2	0	0	0	109.5	A315 D370 F437 K438 Y442	A315-L440 HydrophobicContact CB-CB 4.27Å; D370-L440 HydrophobicContact CB-CD1 4.43Å; D370-L440 VanDerWaalsContact OD2-CD1 3.26Å; D370-L440 WeakPolarHBondContact OD2-CD1 3.44Å; F437-L440 VanDerWaalsContact O-CB 3.26Å; F437-L440 WeakPolarHBondContact O-CB 3.3Å; F437-L440 WeakPolarHBondContact O-CG 3.47Å; F437-L440 PolarHBondContact O-N 3.21Å; K438-L440 HydrophobicContact CB-CD1 4.27Å; K438-L440 HydrophobicContact CB-CG 4.23Å; K438-L440 PolarHBondContact O-N 3.06Å; L440-Y442 HydrophobicContact CB-CD2 3.92Å; L440-Y442 HydrophobicContact CB-CE2 3.52Å; L440-Y442 HydrophobicContact CD1-CE2 3.99Å; L440-Y442 HydrophobicContact CG-CE2 4.4Å; L440-Y442 WeakPolarHBondContact O-CD2 3.35Å; L440-Y442 PolarHBondContact O-N 2.8Å
441	R	68.6	Low	79.6	Confident	217 Å²	217	64.3 Å²	64.3	82%	0.819	31%	0.306	S	S	*	.			trans	-76.1	97.4	-179.3	-65.9	-174.9	-176.8	-178.2	0.8	110.5	S313	S313-R441 PolarHBondContact OG-O 2.86Å
442	Y	71.7	Confident	78.2	Confident	2 Å²	2	67.1 Å²	67.1	1%	0.008	32%	0.319	C	S	.	.			trans	-107	-3.5	171	-67.5	-74.3	0	0	0	113.1	A315 M316 V320 D370 V374 F437 L440 E444 S445 L446	A315-Y442 HydrophobicContact CB-CD1 4.1Å; A315-Y442 HydrophobicContact CB-CE1 3.5Å; A315-Y442 VanDerWaalsContact CB-CE1 3.5Å; A315-Y442 HydrophobicContact CB-CE2 4.38Å; M316-Y442 HydrophobicContact CE-CD1 4.22Å; V320-Y442 HydrophobicContact CG2-CE1 4.3Å; D370-Y442 HydrophobicContact CB-CE2 3.98Å; D370-Y442 PolarHBondContact OD2-OH 3.44Å; V374-Y442 HydrophobicContact CG2-CE1 4.42Å; F437-Y442 HydrophobicContact CB-CD2 4.32Å; F437-Y442 AromaticContact CD1-CD2 3.83Å; F437-Y442 HydrophobicContact CD1-CD2 3.83Å; F437-Y442 HydrophobicContact CD1-CE2 4.1Å; F437-Y442 HydrophobicContact CG-CD2 4.4Å; L440-Y442 HydrophobicContact CB-CD2 3.92Å; L440-Y442 HydrophobicContact CB-CE2 3.52Å; L440-Y442 HydrophobicContact CD1-CE2 3.99Å; L440-Y442 HydrophobicContact CG-CE2 4.4Å; L440-Y442 WeakPolarHBondContact O-CD2 3.35Å; L440-Y442 PolarHBondContact O-N 2.8Å; Y442-E444 PolarHBondContact O-N 3.36Å; Y442-E444 VanDerWaalsContact O-N 3.12Å; Y442-S445 PolarHBondContact O-N 3.37Å; Y442-S445 PolarHBondContact O-OG 3.09Å; Y442-L446 HydrophobicContact CG-CD1 4.13Å; Y442-L446 HydrophobicContact CG-CG 4.41Å; Y442-L446 PolarHBondContact O-N 3.05Å; Y442-L446 VanDerWaalsContact O-N 3.09Å
443	N	58.6	Low	76.7	Confident	95 Å²	95	67.4 Å²	67.4	51%	0.508	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-35.6	-154.7	-67.8	-6.3	0	0	0	116.9
444	E	65.8	Low	74.9	Confident	157 Å²	157	69.1 Å²	69.1	73%	0.734	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-40.5	177.3	-67.7	-179.2	-178.4	0	0	111.3	Y442 T447	Y442-E444 PolarHBondContact O-N 3.36Å; Y442-E444 VanDerWaalsContact O-N 3.12Å; E444-T447 PolarHBondContact O-OG1 3.24Å
445	S	71.9	Confident	72.5	Confident	2 Å²	2	75.7 Å²	75.7	1%	0.014	37%	0.365	C	S	.	.	G	3₁₀ helix	trans	-68.4	-35.1	-177	61	0	0	0	0	114.7	N309 Y442 T447 N448	N309-S445 VanDerWaalsContact O-CB 3.27Å; N309-S445 WeakPolarHBondContact O-CB 3.3Å; Y442-S445 PolarHBondContact O-N 3.37Å; Y442-S445 PolarHBondContact O-OG 3.09Å; S445-T447 VanDerWaalsContact C-N 3.32Å; S445-T447 PolarHBondContact O-N 3.35Å; S445-N448 WeakPolarHBondContact O-CB 3.29Å; S445-N448 PolarHBondContact O-N 3Å; S445-N448 PolarHBondContact O-ND2 3.47Å
446	L	75.3	Confident	70.3	Confident	1 Å²	1	70.8 Å²	70.8	1%	0.005	36%	0.355	C	S	.	.	G	3₁₀ helix	trans	-73.4	-23.9	-175.5	-63.4	176.1	0	0	0	114	M316 V374 F437 Y442 N448 F449 I462	M316-L446 HydrophobicContact CE-CD2 4.11Å; V374-L446 HydrophobicContact CG1-CD2 4.21Å; V374-L446 HydrophobicContact CG2-CD2 3.74Å; F437-L446 HydrophobicContact CD1-CD1 4.26Å; F437-L446 HydrophobicContact CE1-CD1 3.63Å; F437-L446 HydrophobicContact CE2-CD1 4.4Å; F437-L446 HydrophobicContact CZ-CD1 3.7Å; Y442-L446 HydrophobicContact CG-CD1 4.13Å; Y442-L446 HydrophobicContact CG-CG 4.41Å; Y442-L446 PolarHBondContact O-N 3.05Å; Y442-L446 VanDerWaalsContact O-N 3.09Å; L446-N448 PolarHBondContact O-N 3.25Å; L446-F449 HydrophobicContact CD2-CD2 4.09Å; L446-F449 HydrophobicContact CD2-CE2 4.32Å; L446-F449 PolarHBondContact O-N 3.08Å; L446-I462 HydrophobicContact CB-CD1 3.56Å; L446-I462 HydrophobicContact CB-CG1 4.39Å; L446-I462 HydrophobicContact CD1-CD1 3.69Å; L446-I462 HydrophobicContact CG-CD1 4.19Å
447	T	73.4	Confident	67.9	Low	41 Å²	41	75.8 Å²	75.8	25%	0.252	39%	0.386	S	S	.	.	G	3₁₀ helix	trans	-60.1	-27.5	176.7	63.3	0	0	0	0	111.6	E444 S445 F449 S450 T458	E444-T447 PolarHBondContact O-OG1 3.24Å; S445-T447 VanDerWaalsContact C-N 3.32Å; S445-T447 PolarHBondContact O-N 3.35Å; T447-F449 PolarHBondContact O-N 3.24Å; T447-S450 WeakPolarHBondContact O-CB 3.19Å; T447-S450 PolarHBondContact O-N 2.85Å; T447-S450 VanDerWaalsContact O-N 3.13Å; T447-T458 HydrophobicContact CG2-CG2 4.3Å
448	N	77.1	Confident	66	Low	49 Å²	49	78.7 Å²	78.7	26%	0.262	41%	0.405	S	S	.	.	G	3₁₀ helix	trans	-61.4	-26.1	174.1	-64.8	-44.7	0	0	0	113.1	N309 S445 L446 K454	N309-N448 WeakPolarHBondContact OD1-CB 3.47Å; S445-N448 WeakPolarHBondContact O-CB 3.29Å; S445-N448 PolarHBondContact O-N 3Å; S445-N448 PolarHBondContact O-ND2 3.47Å; L446-N448 PolarHBondContact O-N 3.25Å; N448-K454 WeakPolarHBondContact OD1-CE 3.31Å; N448-K454 PolarHBondContact OD1-NZ 2.76Å
449	F	78.7	Confident	64.7	Low	6 Å²	6	81.6 Å²	81.6	3%	0.026	42%	0.424	C	S	.	.	G	3₁₀ helix	trans	-94.2	-3.1	179.7	-50.7	-56.4	0	0	0	113.2	N309 M316 M377 M378 L446 T447 C451	N309-F449 HydrophobicContact CB-CE1 3.96Å; N309-F449 HydrophobicContact CB-CE2 4.31Å; N309-F449 HydrophobicContact CB-CZ 3.44Å; N309-F449 VanDerWaalsContact CB-CZ 3.44Å; M316-F449 HydrophobicContact CE-CE2 3.91Å; M377-F449 HydrophobicContact CB-CB 4.14Å; M378-F449 HydrophobicContact CE-CE1 4.21Å; M378-F449 HydrophobicContact CE-CE2 3.69Å; M378-F449 HydrophobicContact CE-CZ 3.37Å; M378-F449 HydrophobicContact CG-CD1 3.93Å; M378-F449 HydrophobicContact CG-CD2 4.28Å; M378-F449 HydrophobicContact CG-CE1 3.62Å; M378-F449 HydrophobicContact CG-CE2 4.01Å; M378-F449 HydrophobicContact CG-CG 4.25Å; M378-F449 HydrophobicContact CG-CZ 3.65Å; M378-F449 HydrophobicContact SD-CZ 4.34Å; L446-F449 HydrophobicContact CD2-CD2 4.09Å; L446-F449 HydrophobicContact CD2-CE2 4.32Å; L446-F449 PolarHBondContact O-N 3.08Å; T447-F449 PolarHBondContact O-N 3.24Å; F449-C451 PolarHBondContact O-N 3.37Å
450	S	79.4	Confident	64.5	Low	10 Å²	10	73.7 Å²	73.7	7%	0.07	39%	0.394	C	S	.	.			trans	-66.7	123.2	172.1	-173.7	0	0	0	0	110.1	T447 H452 G453	T447-S450 WeakPolarHBondContact O-CB 3.19Å; T447-S450 PolarHBondContact O-N 2.85Å; T447-S450 VanDerWaalsContact O-N 3.13Å; S450-H452 PolarHBondContact O-N 3.5Å; S450-H452 VanDerWaalsContact O-N 3.1Å; S450-G453 PolarHBondContact O-N 2.97Å
451	C	68.9	Low	64.8	Low	12 Å²	12	74.2 Å²	74.2	8%	0.081	39%	0.392	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-13	-176.5	-74.5	0	0	0	0	113.6	K384 F449 T463 H464	K384-C451 HydrophobicContact CD-CB 3.42Å; K384-C451 VanDerWaalsContact CD-CB 3.42Å; K384-C451 WeakPolarHBondContact CE-O 3.38Å; F449-C451 PolarHBondContact O-N 3.37Å; C451-T463 PolarHBondContact N-O 2.78Å; C451-T463 VanDerWaalsContact N-O 3.14Å; C451-H464 HydrophobicContact CB-CB 4.24Å
452	H	60	Low	65.7	Low	131 Å²	131	64 Å²	64	61%	0.606	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.9	6.3	179.4	-77.7	-73.7	0	0	0	114.5	S450 T463	S450-H452 PolarHBondContact O-N 3.5Å; S450-H452 VanDerWaalsContact O-N 3.1Å; H452-T463 PolarHBondContact CD2-OG1 3.16Å
453	G	54.2	Low	66.6	Low	37 Å²	37	65.5 Å²	65.5	38%	0.381	36%	0.363	S	S	.	.			trans	80.3	166.7	172.7	0	0	0	0	0	114.7	S450 N455 G456	S450-G453 PolarHBondContact O-N 2.97Å; G453-N455 PolarHBondContact O-N 2.83Å; G453-N455 VanDerWaalsContact O-N 3.1Å; G453-G456 PolarHBondContact O-N 3.08Å
454	K	49.6	Very low	68.1	Low	168 Å²	168	61.4 Å²	61.4	73%	0.73	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-13.7	-171.4	-65.6	-171.8	175	-164.9	0	115.8	N448	N448-K454 WeakPolarHBondContact OD1-CE 3.31Å; N448-K454 PolarHBondContact OD1-NZ 2.76Å
455	N	42.9	Very low	69.2	Low	164 Å²	164	56.2 Å²	56.2	88%	0.877	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.9	-1.1	-171.9	-69.6	-2.6	0	0	0	114.3	G453	G453-N455 PolarHBondContact O-N 2.83Å; G453-N455 VanDerWaalsContact O-N 3.1Å
456	G	46.2	Very low	70.2	Confident	39 Å²	39	57.4 Å²	57.4	40%	0.402	34%	0.335	S	S	.	.	S	Bend	trans	-78.6	125.8	169.5	0	0	0	0	0	108.7	G453 T458	G453-G456 PolarHBondContact O-N 3.08Å; G456-T458 VanDerWaalsContact C-N 3.34Å; G456-T458 PolarHBondContact O-N 3.19Å
457	T	43.4	Very low	71	Confident	125 Å²	125	64.3 Å²	64.3	77%	0.767	37%	0.365	S	S	*	.			trans	-52.4	99.9	169.2	44.3	0	0	0	0	108.7	N459	T457-N459 VanDerWaalsContact C-N 3.31Å; T457-N459 PolarHBondContact O-N 3.2Å
458	T	52.7	Low	72.1	Confident	65 Å²	65	62.6 Å²	62.6	40%	0.399	36%	0.355	S	S	.	.			trans	-70.6	96.8	171.9	52.5	0	0	0	0	105.1	T447 G456 G460	T447-T458 HydrophobicContact CG2-CG2 4.3Å; G456-T458 VanDerWaalsContact C-N 3.34Å; G456-T458 PolarHBondContact O-N 3.19Å; T458-G460 PolarHBondContact O-N 3.24Å
459	N	61.7	Low	73	Confident	141 Å²	141	63.8 Å²	63.8	75%	0.754	36%	0.357	S	S	*	.			trans	-66.8	49.4	172.7	-73.9	-8.4	0	0	0	110.5	T457 R461	T457-N459 VanDerWaalsContact C-N 3.31Å; T457-N459 PolarHBondContact O-N 3.2Å; N459-R461 PolarHBondContact O-N 2.96Å
460	G	75.9	Confident	73.9	Confident	28 Å²	28	64.4 Å²	64.4	29%	0.289	36%	0.363	S	S	.	.	S	Bend	trans	72.3	5.4	-173.8	0	0	0	0	0	115.4	T432 T458	T432-G460 VanDerWaalsContact CB-O 3.25Å; T432-G460 WeakPolarHBondContact CB-O 3.35Å; T432-G460 WeakPolarHBondContact CG2-O 3.42Å; T432-G460 PolarHBondContact N-O 3.1Å; T432-G460 PolarHBondContact OG1-O 2.98Å; T458-G460 PolarHBondContact O-N 3.24Å
461	R	85.4	Confident	74.8	Confident	68 Å²	68	64 Å²	64	26%	0.257	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	137.8	-172.3	-162	179	146.1	75.8	1.8	113.1	T427 G429 V430 E431 N459 T463	T427-R461 PolarHBondContact O-NH2 3.4Å; G429-R461 VanDerWaalsContact O-CZ 3.29Å; G429-R461 PolarHBondContact O-NH1 3.08Å; G429-R461 PolarHBondContact O-NH2 3.4Å; V430-R461 VanDerWaalsContact O-CG 3.32Å; V430-R461 WeakPolarHBondContact O-CG 3.25Å; E431-R461 VanDerWaalsContact OE1-CD 3.22Å; E431-R461 WeakPolarHBondContact OE1-CD 3.28Å; E431-R461 WeakPolarHBondContact OE1-CG 3.44Å; N459-R461 PolarHBondContact O-N 2.96Å; R461-T463 HydrophobicContact CG-CG2 4.03Å
462	I	86.1	Confident	76.1	Confident	2 Å²	2	64.5 Å²	64.5	1%	0.01	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	126.5	174.6	-58.8	158.4	0	0	0	108.1	M377 Y424 G429 V430 T432 F437 L446	M377-I462 HydrophobicContact CE-CB 4.06Å; M377-I462 HydrophobicContact CE-CD1 3.77Å; M377-I462 HydrophobicContact CE-CG2 4.02Å; M377-I462 HydrophobicContact CG-CG2 4.49Å; M377-I462 HydrophobicContact SD-CD1 3.79Å; M377-I462 HydrophobicContact SD-CG2 3.98Å; Y424-I462 HydrophobicContact CE2-CG2 4.12Å; G429-I462 CarbonylContact C-O 3.48Å; G429-I462 WeakPolarHBondContact CA-O 3.21Å; V430-I462 PolarHBondContact N-O 3.16Å; V430-I462 PolarHBondContact O-N 3.41Å; T432-I462 HydrophobicContact CG2-CD1 3.88Å; T432-I462 HydrophobicContact CG2-CG1 3.76Å; F437-I462 HydrophobicContact CZ-CD1 4.23Å; L446-I462 HydrophobicContact CB-CD1 3.56Å; L446-I462 HydrophobicContact CB-CG1 4.39Å; L446-I462 HydrophobicContact CD1-CD1 3.69Å; L446-I462 HydrophobicContact CG-CD1 4.19Å
463	T	90.5	Very high	77.3	Confident	34 Å²	34	63.1 Å²	63.1	21%	0.209	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	159.2	-168.4	58.7	0	0	0	0	114	G428 C451 H452 R461	G428-T463 CarbonylContact O-C 3.53Å; G428-T463 VanDerWaalsContact O-CA 3.22Å; G428-T463 WeakPolarHBondContact O-CA 3.46Å; G428-T463 WeakPolarHBondContact O-CB 3.37Å; C451-T463 PolarHBondContact N-O 2.78Å; C451-T463 VanDerWaalsContact N-O 3.14Å; H452-T463 PolarHBondContact CD2-OG1 3.16Å; R461-T463 HydrophobicContact CG-CG2 4.03Å
464	H	91.6	Very high	78.5	Confident	9 Å²	9	67.7 Å²	67.7	4%	0.042	38%	0.38	C	S	.	.			trans	-137.3	151.6	170.5	72.3	86.5	0	0	0	112.4	L380 Y424 L425 G428 C451 F466	L380-H464 HydrophobicContact CD2-CB 4.21Å; Y424-H464 AromaticContact CE1-CD2 3.76Å; Y424-H464 AromaticContact CE2-CD2 3.83Å; Y424-H464 AromaticContact CZ-CD2 3.56Å; Y424-H464 PolarHBondContact O-CD2 2.8Å; Y424-H464 PolarHBondContact O-NE2 2.87Å; L425-H464 PolarHBondContact O-CE1 3.27Å; L425-H464 PolarHBondContact O-NE2 3.43Å; G428-H464 WeakPolarHBondContact CA-NE2 3.12Å; G428-H464 PolarHBondContact O-N 3.42Å; C451-H464 HydrophobicContact CB-CB 4.24Å; H464-F466 HydrophobicContact CB-CD2 4.06Å; H464-F466 AromaticContact ND1-CD2 3.59Å; H464-F466 PolarHBondContact ND1-N 2.96Å
465	G	89	Confident	80.1	Confident	49 Å²	49	63 Å²	63	51%	0.505	38%	0.38	S	S	.	.	S	Bend	trans	-92.8	2.1	-174.1	0	0	0	0	0	116	K467	G465-K467 VanDerWaalsContact C-N 3.34Å; G465-K467 PolarHBondContact O-N 2.9Å
466	F	91.1	Very high	82.3	Confident	26 Å²	26	57.2 Å²	57.2	11%	0.114	35%	0.349	C	S	.	.	S	Bend	trans	-71.9	-16.1	-169	-66.8	-67.4	0	0	0	116.7	L380 V383 K384 I387 L407 H464 L468 S496	L380-F466 HydrophobicContact CB-CE2 4.19Å; L380-F466 HydrophobicContact CD2-CD2 3.89Å; L380-F466 HydrophobicContact CD2-CE2 4.29Å; L380-F466 HydrophobicContact CG-CD2 4.24Å; L380-F466 HydrophobicContact CG-CE2 4.19Å; L380-F466 WeakPolarHBondContact O-CE2 3.17Å; V383-F466 HydrophobicContact CG1-CE1 4.24Å; V383-F466 HydrophobicContact CG1-CE2 4.45Å; V383-F466 HydrophobicContact CG1-CZ 3.8Å; K384-F466 HydrophobicContact CB-CE2 4.18Å; K384-F466 HydrophobicContact CB-CZ 3.68Å; I387-F466 HydrophobicContact CD1-CE1 3.63Å; I387-F466 HydrophobicContact CD1-CZ 4.37Å; L407-F466 HydrophobicContact CB-CD1 4.46Å; L407-F466 HydrophobicContact CD2-CD1 3.88Å; L407-F466 HydrophobicContact CD2-CD2 4.44Å; L407-F466 HydrophobicContact CD2-CE1 4.08Å; L407-F466 HydrophobicContact CD2-CG 4.07Å; L407-F466 HydrophobicContact CD2-CZ 4.43Å; H464-F466 HydrophobicContact CB-CD2 4.06Å; H464-F466 AromaticContact ND1-CD2 3.59Å; H464-F466 PolarHBondContact ND1-N 2.96Å; F466-L468 HydrophobicContact CB-CD1 4.24Å; F466-L468 HydrophobicContact CB-CD2 3.79Å; F466-L468 HydrophobicContact CB-CG 3.68Å; F466-L468 PolarHBondContact O-N 3.32Å; F466-S496 PolarHBondContact O-OG 3.03Å; F466-S496 VanDerWaalsContact O-OG 3.12Å
467	K	93.5	Very high	84.5	Confident	146 Å²	146	55.6 Å²	55.6	64%	0.635	33%	0.331	S	S	*	.			trans	47	57	-178	-62	178.3	-177.5	179.5	0	112	G465 K497	G465-K467 VanDerWaalsContact C-N 3.34Å; G465-K467 PolarHBondContact O-N 2.9Å; K467-K497 VanDerWaalsContact CB-O 3.22Å; K467-K497 WeakPolarHBondContact CB-O 3.43Å; K467-K497 PolarHBondContact O-N 2.91Å
468	L	96.1	Very high	86.9	Confident	6 Å²	6	53.2 Å²	53.2	3%	0.031	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	145	-174	-59.2	173.7	0	0	0	111.2	L380 L407 L409 L425 F466 F494 Y495	L380-L468 HydrophobicContact CD2-CD1 4.16Å; L407-L468 HydrophobicContact CD2-CD2 4.15Å; L407-L468 HydrophobicContact CG-CD2 4.47Å; L409-L468 HydrophobicContact CD2-CD1 4.19Å; L425-L468 HydrophobicContact CD2-CD1 3.96Å; L425-L468 WeakPolarHBondContact O-CB 3.18Å; F466-L468 HydrophobicContact CB-CD1 4.24Å; F466-L468 HydrophobicContact CB-CD2 3.79Å; F466-L468 HydrophobicContact CB-CG 3.68Å; F466-L468 PolarHBondContact O-N 3.32Å; L468-F494 HydrophobicContact CB-CB 4.25Å; L468-F494 HydrophobicContact CB-CD1 3.8Å; L468-F494 HydrophobicContact CB-CG 4.4Å; L468-F494 HydrophobicContact CD1-CB 4.38Å; L468-Y495 CarbonylContact C-O 3.47Å; L468-Y495 WeakPolarHBondContact CA-O 3.14Å
469	K	96.8	Very high	89	Confident	73 Å²	73	51 Å²	51	32%	0.317	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	137.7	169.5	-174.2	173.8	175.8	-173.7	0	109	E473 F494 Y495 K497	K469-E473 WeakPolarHBondContact CE-OE1 3.32Å; K469-E473 IonicContact NZ-OE1 3.71Å; K469-E473 PolarHBondContact NZ-OE1 3.05Å; K469-F494 WeakPolarHBondContact O-CA 3.48Å; K469-Y495 HydrophobicContact CB-CE1 4.22Å; K469-Y495 HydrophobicContact CB-CE2 4.27Å; K469-Y495 HydrophobicContact CG-CE1 4.44Å; K469-Y495 PolarHBondContact N-O 3.09Å; K469-Y495 WeakPolarHBondContact O-CD1 3.09Å; K469-Y495 WeakPolarHBondContact O-CE1 3.36Å; K469-Y495 PolarHBondContact O-N 2.86Å; K469-K497 HydrophobicContact CB-CG 4.25Å
470	S	97.4	Very high	90.7	Very high	20 Å²	20	44.3 Å²	44.3	14%	0.14	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	135.8	170.8	177.7	0	0	0	0	109.7	Y472	S470-Y472 PolarHBondContact O-N 3.35Å; S470-Y472 PolarHBondContact OG-N 2.79Å; S470-Y472 PolarHBondContact OG-O 3.33Å
471	A	97.1	Very high	91.8	Very high	1 Å²	1	43.4 Å²	43.4	1%	0.008	26%	0.255	C	S	.	.	S	Bend	trans	-66.1	-30	171.9	0	0	0	0	0	112.2	I493 Y495 T502 A536	A471-I493 HydrophobicContact CB-CB 4.15Å; A471-I493 HydrophobicContact CB-CG2 4.24Å; A471-I493 WeakPolarHBondContact CB-O 3.21Å; A471-I493 PolarHBondContact N-O 3.15Å; A471-Y495 HydrophobicContact CB-CD1 4.29Å; A471-Y495 HydrophobicContact CB-CE1 4.18Å; A471-T502 HydrophobicContact CB-CG2 4.13Å; A471-A536 HydrophobicContact CB-CB 3.86Å
472	Y	96.1	Very high	92.4	Very high	23 Å²	23	40.8 Å²	40.8	9%	0.09	25%	0.245	C	C	.	.	S	Bend	trans	-99.7	102.9	175.3	-73.7	-103.8	0	0	0	108.7	S470 M477 I505 L506 L534 F535	S470-Y472 PolarHBondContact O-N 3.35Å; S470-Y472 PolarHBondContact OG-N 2.79Å; S470-Y472 PolarHBondContact OG-O 3.33Å; Y472-M477 HydrophobicContact CD1-CB 3.87Å; Y472-M477 HydrophobicContact CD1-SD 4.15Å; Y472-M477 HydrophobicContact CE1-CB 4.27Å; Y472-M477 HydrophobicContact CE1-SD 3.74Å; Y472-I505 HydrophobicContact CD1-CD1 3.51Å; Y472-I505 HydrophobicContact CD2-CG2 4.34Å; Y472-I505 HydrophobicContact CE1-CB 4.12Å; Y472-I505 HydrophobicContact CE1-CD1 3.43Å; Y472-I505 VanDerWaalsContact CE1-CD1 3.43Å; Y472-I505 HydrophobicContact CE1-CG1 4.33Å; Y472-I505 HydrophobicContact CE2-CB 4.21Å; Y472-I505 HydrophobicContact CE2-CG2 4.03Å; Y472-I505 HydrophobicContact CG-CD1 4.23Å; Y472-L506 WeakPolarHBondContact CE1-O 3.32Å; Y472-L506 PolarHBondContact OH-O 2.8Å; Y472-L534 HydrophobicContact CD1-CD2 4.22Å; Y472-L534 HydrophobicContact CD2-CD2 4.02Å; Y472-L534 HydrophobicContact CE1-CD2 3.9Å; Y472-L534 HydrophobicContact CE2-CB 3.86Å; Y472-L534 HydrophobicContact CE2-CD2 3.71Å; Y472-L534 HydrophobicContact CE2-CG 4.25Å; Y472-L534 HydrophobicContact CG-CD2 4.28Å; Y472-F535 PolarHBondContact OH-N 3.24Å; Y472-F535 PolarHBondContact OH-O 2.83Å
473	E	85.9	Confident	92.9	Very high	102 Å²	102	41.7 Å²	41.7	48%	0.477	25%	0.25	S	S	.	.			trans	-72.4	162.8	171.9	-63.7	-172.7	176	0	0	111.7	K469 G475 L476	K469-E473 WeakPolarHBondContact CE-OE1 3.32Å; K469-E473 IonicContact NZ-OE1 3.71Å; K469-E473 PolarHBondContact NZ-OE1 3.05Å; E473-G475 PolarHBondContact O-N 3Å; E473-L476 HydrophobicContact CB-CD1 4.05Å; E473-L476 PolarHBondContact O-N 3.31Å
474	S	80	Confident	93.1	Very high	132 Å²	132	42.1 Å²	42.1	92%	0.923	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55	126.2	-178.2	-175.8	0	0	0	0	111.6
475	G	82.1	Confident	93.2	Very high	71 Å²	71	48 Å²	48	73%	0.732	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.4	-8.4	176.6	0	0	0	0	0	115.7	E473	E473-G475 PolarHBondContact O-N 3Å
476	L	90.3	Very high	93.5	Very high	42 Å²	42	49.4 Å²	49.4	22%	0.22	27%	0.273	C	S	.	.	S	Bend	trans	-74.1	-33.2	177.8	-66.2	179.4	0	0	0	113.1	L177 E473 I505 P508	L177-L476 HydrophobicContact CD2-CD1 4.17Å; E473-L476 HydrophobicContact CB-CD1 4.05Å; E473-L476 PolarHBondContact O-N 3.31Å; L476-I505 HydrophobicContact CB-CD1 3.92Å; L476-I505 HydrophobicContact CD1-CD1 3.68Å; L476-I505 HydrophobicContact CG-CD1 4.32Å; L476-P508 WeakPolarHBondContact O-CD 3.14Å
477	M	92.4	Very high	93.8	Very high	5 Å²	5	52.4 Å²	52.4	3%	0.025	29%	0.287	C	S	.	.			trans	-136.4	121.7	177.7	-167.7	152.3	-173.7	0	0	108.3	Y472 Y479 T480 I489 P508 F532 L534	Y472-M477 HydrophobicContact CD1-CB 3.87Å; Y472-M477 HydrophobicContact CD1-SD 4.15Å; Y472-M477 HydrophobicContact CE1-CB 4.27Å; Y472-M477 HydrophobicContact CE1-SD 3.74Å; M477-Y479 VanDerWaalsContact C-N 3.35Å; M477-Y479 WeakPolarHBondContact CE-O 3.46Å; M477-Y479 WeakPolarHBondContact CG-O 3.19Å; M477-T480 HydrophobicContact SD-CG2 4.4Å; M477-I489 WeakPolarHBondContact O-CD1 3.44Å; M477-P508 HydrophobicContact CG-CB 4.39Å; M477-F532 HydrophobicContact CE-CB 3.56Å; M477-F532 HydrophobicContact CE-CG 4.34Å; M477-L534 HydrophobicContact CE-CD2 4.33Å; M477-L534 HydrophobicContact SD-CD2 3.53Å; M477-L534 VanDerWaalsContact SD-CD2 3.53Å
478	P	94.1	Very high	93.9	Very high	75 Å²	75	45.8 Å²	45.8	49%	0.487	26%	0.259	S	S	.	.	S	Bend	trans	-74.9	-26.8	-174.5	28.4	-34	0	0	0	112.9
479	Y	96.3	Very high	94	Very high	17 Å²	17	47.2 Å²	47.2	7%	0.067	27%	0.267	C	S	.	.			trans	-158	149	-178.5	38.7	-103.7	0	0	0	110	M477 Y482 H511 L514 F532	M477-Y479 VanDerWaalsContact C-N 3.35Å; M477-Y479 WeakPolarHBondContact CE-O 3.46Å; M477-Y479 WeakPolarHBondContact CG-O 3.19Å; Y479-Y482 HydrophobicContact CD1-CD2 4.03Å; Y479-Y482 HydrophobicContact CD1-CE2 4.37Å; Y479-Y482 AromaticContact CD2-CD2 3.62Å; Y479-Y482 HydrophobicContact CD2-CD2 3.62Å; Y479-Y482 HydrophobicContact CD2-CE2 4.47Å; Y479-Y482 HydrophobicContact CD2-CG 4.31Å; Y479-Y482 AromaticContact CE1-CD2 3.91Å; Y479-Y482 HydrophobicContact CE1-CD2 3.91Å; Y479-Y482 AromaticContact CE1-CE2 3.87Å; Y479-Y482 HydrophobicContact CE1-CE2 3.87Å; Y479-Y482 AromaticContact CE2-CD2 3.49Å; Y479-Y482 HydrophobicContact CE2-CD2 3.49Å; Y479-Y482 VanDerWaalsContact CE2-CD2 3.49Å; Y479-Y482 AromaticContact CE2-CE2 4Å; Y479-Y482 HydrophobicContact CE2-CE2 4Å; Y479-Y482 HydrophobicContact CE2-CG 4.27Å; Y479-Y482 AromaticContact CG-CD2 3.89Å; Y479-Y482 HydrophobicContact CG-CD2 3.89Å; Y479-Y482 AromaticContact CZ-CD2 3.64Å; Y479-Y482 AromaticContact CZ-CE2 3.66Å; Y479-H511 PolarHBondContact OH-ND1 2.84Å; Y479-L514 HydrophobicContact CE2-CD1 4.46Å; Y479-L514 VanDerWaalsContact OH-CD1 3.26Å; Y479-L514 WeakPolarHBondContact OH-CD1 3.39Å; Y479-F532 AromaticContact CD2-CD2 3.92Å; Y479-F532 HydrophobicContact CD2-CD2 3.92Å; Y479-F532 AromaticContact CD2-CE2 3.72Å; Y479-F532 HydrophobicContact CD2-CE2 3.72Å; Y479-F532 HydrophobicContact CE2-CD2 4.12Å; Y479-F532 AromaticContact CE2-CE2 3.56Å; Y479-F532 HydrophobicContact CE2-CE2 3.56Å; Y479-F532 HydrophobicContact CE2-CZ 4.45Å
480	T	97.8	Very high	94.1	Very high	1 Å²	1	44.1 Å²	44.1	1%	0.006	25%	0.253	C	S	.	.	S	Bend	trans	-110.7	-37.3	170.4	64.7	0	0	0	0	110.5	M477 G488 I489 I490 D491 H531 F532 L534	M477-T480 HydrophobicContact SD-CG2 4.4Å; T480-G488 PolarHBondContact N-O 3.45Å; T480-G488 PolarHBondContact OG1-O 3.41Å; T480-I489 HydrophobicContact CG2-CB 4.46Å; T480-I489 HydrophobicContact CG2-CG2 3.96Å; T480-I490 PolarHBondContact OG1-N 3.35Å; T480-D491 WeakPolarHBondContact CB-OD2 3.34Å; T480-D491 HydrophobicContact CG2-CB 4.15Å; T480-D491 PolarHBondContact OG1-N 3.46Å; T480-D491 PolarHBondContact OG1-OD2 3.13Å; T480-H531 CarbonylContact O-C 3.45Å; T480-H531 WeakPolarHBondContact O-CA 3.37Å; T480-F532 PolarHBondContact O-N 3.13Å; T480-L534 HydrophobicContact CG2-CD2 3.87Å; T480-L534 HydrophobicContact CG2-CG 4.46Å
481	N	98.4	Very high	94.2	Very high	10 Å²	10	43.2 Å²	43.2	5%	0.053	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	134.1	165.4	-177.6	-82.9	0	0	0	110.3	T483 F486 K487 G488 I490 D530 H531	N481-T483 WeakPolarHBondContact OD1-CG2 3.36Å; N481-F486 HydrophobicContact CB-CD1 4.37Å; N481-F486 HydrophobicContact CB-CE1 4.2Å; N481-F486 WeakPolarHBondContact OD1-CD1 2.92Å; N481-K487 WeakPolarHBondContact O-CA 3.33Å; N481-G488 PolarHBondContact N-O 3.27Å; N481-G488 PolarHBondContact O-N 2.86Å; N481-G488 VanDerWaalsContact O-N 3.13Å; N481-I490 HydrophobicContact CB-CD1 3.67Å; N481-I490 HydrophobicContact CB-CG1 3.85Å; N481-D530 WeakPolarHBondContact CA-O 3.48Å; N481-D530 PolarHBondContact ND2-OD2 3.3Å; N481-D530 VanDerWaalsContact ND2-OD2 3.13Å; N481-H531 PolarHBondContact ND2-CD2 3.46Å; N481-H531 PolarHBondContact ND2-CE1 3.41Å; N481-H531 PolarHBondContact ND2-NE2 2.75Å
482	Y	97.8	Very high	94.2	Very high	13 Å²	13	43.7 Å²	43.7	5%	0.051	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	86.2	-177	-170	-88.9	0	0	0	110.2	Y479 K487 L514 I519 C522 D530 F532	Y479-Y482 HydrophobicContact CD1-CD2 4.03Å; Y479-Y482 HydrophobicContact CD1-CE2 4.37Å; Y479-Y482 AromaticContact CD2-CD2 3.62Å; Y479-Y482 HydrophobicContact CD2-CD2 3.62Å; Y479-Y482 HydrophobicContact CD2-CE2 4.47Å; Y479-Y482 HydrophobicContact CD2-CG 4.31Å; Y479-Y482 AromaticContact CE1-CD2 3.91Å; Y479-Y482 HydrophobicContact CE1-CD2 3.91Å; Y479-Y482 AromaticContact CE1-CE2 3.87Å; Y479-Y482 HydrophobicContact CE1-CE2 3.87Å; Y479-Y482 AromaticContact CE2-CD2 3.49Å; Y479-Y482 HydrophobicContact CE2-CD2 3.49Å; Y479-Y482 VanDerWaalsContact CE2-CD2 3.49Å; Y479-Y482 AromaticContact CE2-CE2 4Å; Y479-Y482 HydrophobicContact CE2-CE2 4Å; Y479-Y482 HydrophobicContact CE2-CG 4.27Å; Y479-Y482 AromaticContact CG-CD2 3.89Å; Y479-Y482 HydrophobicContact CG-CD2 3.89Å; Y479-Y482 AromaticContact CZ-CD2 3.64Å; Y479-Y482 AromaticContact CZ-CE2 3.66Å; Y482-K487 HydrophobicContact CD2-CB 4.44Å; Y482-K487 HydrophobicContact CD2-CD 3.85Å; Y482-K487 HydrophobicContact CD2-CG 3.81Å; Y482-K487 HydrophobicContact CE2-CD 3.55Å; Y482-K487 HydrophobicContact CE2-CG 4.07Å; Y482-K487 HydrophobicContact CG-CG 4.36Å; Y482-L514 HydrophobicContact CE2-CD1 4.41Å; Y482-I519 PolarHBondContact OH-O 2.68Å; Y482-I519 VanDerWaalsContact OH-O 3.1Å; Y482-C522 HydrophobicContact CD1-CB 4.48Å; Y482-C522 WeakPolarHBondContact O-CA 3.43Å; Y482-C522 WeakPolarHBondContact O-CB 3.41Å; Y482-C522 PolarHBondContact O-N 2.96Å; Y482-D530 PolarHBondContact N-O 2.66Å; Y482-F532 HydrophobicContact CG-CE2 4.11Å
483	T	97.3	Very high	94.4	Very high	20 Å²	20	42.6 Å²	42.6	12%	0.123	25%	0.245	C	C	.	.			trans	-106	174.5	171.3	68.1	0	0	0	0	109.9	Y207 Y209 N481 F486 K487 D530	Y207-T483 HydrophobicContact CE1-CG2 4.16Å; Y209-T483 WeakPolarHBondContact OH-CA 3.24Å; N481-T483 WeakPolarHBondContact OD1-CG2 3.36Å; T483-F486 PolarHBondContact N-O 3.35Å; T483-F486 PolarHBondContact OG1-N 2.99Å; T483-F486 PolarHBondContact OG1-O 3.11Å; T483-K487 PolarHBondContact O-NZ 2.79Å; T483-D530 HydrophobicContact CG2-CB 3.94Å
484	F	93.7	Very high	95	Very high	43 Å²	43	37.9 Å²	37.9	19%	0.189	22%	0.222	C	C	.	.	S	Bend	trans	-60.1	-50.9	172.6	179.6	-96.1	0	0	0	111.9	V97 F120 Y209 K487	V97-F484 HydrophobicContact CB-CE2 4.3Å; V97-F484 HydrophobicContact CG2-CE2 3.7Å; V97-F484 HydrophobicContact CG2-CZ 4.28Å; F120-F484 HydrophobicContact CE1-CD2 4.15Å; F120-F484 HydrophobicContact CE1-CE2 4.31Å; F120-F484 HydrophobicContact CE1-CG 4.45Å; F120-F484 HydrophobicContact CE2-CD1 4.16Å; F120-F484 HydrophobicContact CE2-CG 4.25Å; F120-F484 HydrophobicContact CZ-CB 4.13Å; F120-F484 AromaticContact CZ-CD1 3.72Å; F120-F484 HydrophobicContact CZ-CD1 3.72Å; F120-F484 AromaticContact CZ-CD2 3.6Å; F120-F484 HydrophobicContact CZ-CD2 3.6Å; F120-F484 HydrophobicContact CZ-CE1 4Å; F120-F484 AromaticContact CZ-CE2 3.85Å; F120-F484 HydrophobicContact CZ-CE2 3.85Å; F120-F484 AromaticContact CZ-CG 3.52Å; F120-F484 HydrophobicContact CZ-CG 3.52Å; F120-F484 HydrophobicContact CZ-CZ 4.04Å; Y209-F484 HydrophobicContact CD1-CB 3.86Å; Y209-F484 HydrophobicContact CE1-CB 3.47Å; Y209-F484 VanDerWaalsContact CE1-CB 3.47Å; Y209-F484 PolarHBondContact OH-N 2.95Å; F484-K487 PolarHBondContact O-NZ 3.06Å; F484-K487 VanDerWaalsContact O-NZ 3.12Å
485	D	93.1	Very high	95.8	Very high	132 Å²	132	31.9 Å²	31.9	71%	0.706	18%	0.179	S	C	*	.	S	Bend	trans	-81	-26.9	-173.6	-64.1	-51.7	0	0	0	113.7
486	F	96.5	Very high	96.4	Very high	79 Å²	79	28.7 Å²	28.7	35%	0.346	15%	0.146	S	C	.	.			trans	-136.9	133.2	-176.3	177	-101.1	0	0	0	112.2	L416 N481 T483 I490	L416-F486 HydrophobicContact CD2-CE2 4.29Å; L416-F486 HydrophobicContact CD2-CZ 3.96Å; N481-F486 HydrophobicContact CB-CD1 4.37Å; N481-F486 HydrophobicContact CB-CE1 4.2Å; N481-F486 WeakPolarHBondContact OD1-CD1 2.92Å; T483-F486 PolarHBondContact N-O 3.35Å; T483-F486 PolarHBondContact OG1-N 2.99Å; T483-F486 PolarHBondContact OG1-O 3.11Å; F486-I490 HydrophobicContact CE1-CD1 4.14Å; F486-I490 HydrophobicContact CE1-CG2 4.04Å; F486-I490 HydrophobicContact CZ-CG2 3.86Å
487	K	96.9	Very high	96.3	Very high	90 Å²	90	30 Å²	30	39%	0.391	15%	0.15	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	118.2	174.2	-62	171.6	176.2	61.3	0	107.8	N481 Y482 T483 F484 S520	N481-K487 WeakPolarHBondContact O-CA 3.33Å; Y482-K487 HydrophobicContact CD2-CB 4.44Å; Y482-K487 HydrophobicContact CD2-CD 3.85Å; Y482-K487 HydrophobicContact CD2-CG 3.81Å; Y482-K487 HydrophobicContact CE2-CD 3.55Å; Y482-K487 HydrophobicContact CE2-CG 4.07Å; Y482-K487 HydrophobicContact CG-CG 4.36Å; T483-K487 PolarHBondContact O-NZ 2.79Å; F484-K487 PolarHBondContact O-NZ 3.06Å; F484-K487 VanDerWaalsContact O-NZ 3.12Å; K487-S520 WeakPolarHBondContact CE-O 3.37Å; K487-S520 PolarHBondContact NZ-O 2.86Å
488	G	96.8	Very high	96.1	Very high	6 Å²	6	32.8 Å²	32.8	6%	0.062	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-172.7	166.3	-175.3	0	0	0	0	0	113.7	T480 N481	T480-G488 PolarHBondContact N-O 3.45Å; T480-G488 PolarHBondContact OG1-O 3.41Å; N481-G488 PolarHBondContact N-O 3.27Å; N481-G488 PolarHBondContact O-N 2.86Å; N481-G488 VanDerWaalsContact O-N 3.13Å
489	I	97.9	Very high	95.8	Very high	37 Å²	37	29.9 Å²	29.9	19%	0.19	15%	0.149	C	C	.	.			trans	-88.3	112.5	174.7	-54.1	169.6	0	0	0	106.9	P417 M477 T480 Y492	P417-I489 HydrophobicContact CG-CB 3.98Å; P417-I489 HydrophobicContact CG-CD1 4.02Å; P417-I489 HydrophobicContact CG-CG2 4.35Å; M477-I489 WeakPolarHBondContact O-CD1 3.44Å; T480-I489 HydrophobicContact CG2-CB 4.46Å; T480-I489 HydrophobicContact CG2-CG2 3.96Å; I489-Y492 HydrophobicContact CG2-CE1 3.86Å; I489-Y492 PolarHBondContact O-OH 3.12Å; I489-Y492 VanDerWaalsContact O-OH 3.13Å
490	I	98.3	Very high	95.7	Very high	7 Å²	7	29.1 Å²	29.1	4%	0.036	15%	0.146	C	C	.	.			trans	-131.9	-8.9	176.5	58.2	170.3	0	0	0	113.1	L413 L416 T480 N481 F486 Y492	L413-I490 PolarHBondContact N-O 3.02Å; L416-I490 HydrophobicContact CD2-CG2 4.36Å; T480-I490 PolarHBondContact OG1-N 3.35Å; N481-I490 HydrophobicContact CB-CD1 3.67Å; N481-I490 HydrophobicContact CB-CG1 3.85Å; F486-I490 HydrophobicContact CE1-CD1 4.14Å; F486-I490 HydrophobicContact CE1-CG2 4.04Å; F486-I490 HydrophobicContact CZ-CG2 3.86Å; I490-Y492 VanDerWaalsContact C-CE2 3.43Å; I490-Y492 WeakPolarHBondContact O-CD2 3.23Å; I490-Y492 WeakPolarHBondContact O-CE2 3.1Å
491	D	98.6	Very high	95.6	Very high	2 Å²	2	29.9 Å²	29.9	1%	0.011	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	141.7	174.9	-53.5	-86.7	0	0	0	110.1	A411 T480 H531 L534	A411-D491 WeakPolarHBondContact O-CA 3.39Å; T480-D491 WeakPolarHBondContact CB-OD2 3.34Å; T480-D491 HydrophobicContact CG2-CB 4.15Å; T480-D491 PolarHBondContact OG1-N 3.46Å; T480-D491 PolarHBondContact OG1-OD2 3.13Å; D491-H531 IonicContact OD1-CE1 3.65Å; D491-H531 IonicContact OD1-ND1 2.78Å; D491-H531 PolarHBondContact OD1-ND1 2.92Å; D491-H531 IonicContact OD2-CE1 3.53Å; D491-H531 IonicContact OD2-CG 2.75Å; D491-H531 IonicContact OD2-ND1 3.43Å; D491-H531 PolarHBondContact OD2-ND1 3.31Å; D491-L534 VanDerWaalsContact C-CD1 3.48Å; D491-L534 HydrophobicContact CB-CD1 3.83Å; D491-L534 HydrophobicContact CB-CG 4.4Å; D491-L534 WeakPolarHBondContact O-CD1 3.36Å
492	Y	98.6	Very high	95.5	Very high	11 Å²	11	29.7 Å²	29.7	4%	0.043	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	147	-175	-61.2	-93.3	0	0	0	113.1	C410 A411 L413 S415 P417 V422 I489 I490 F494	C410-Y492 WeakPolarHBondContact CA-O 3.26Å; A411-Y492 PolarHBondContact N-O 2.67Å; A411-Y492 PolarHBondContact O-N 2.84Å; L413-Y492 HydrophobicContact CB-CD2 4.1Å; L413-Y492 HydrophobicContact CB-CE2 4.22Å; L413-Y492 HydrophobicContact CD1-CD2 3.43Å; L413-Y492 VanDerWaalsContact CD1-CD2 3.43Å; L413-Y492 HydrophobicContact CD1-CE2 3.93Å; L413-Y492 HydrophobicContact CD1-CG 4.03Å; L413-Y492 HydrophobicContact CG-CD2 3.87Å; L413-Y492 HydrophobicContact CG-CE2 4.42Å; S415-Y492 WeakPolarHBondContact O-CE2 3.48Å; S415-Y492 PolarHBondContact O-OH 2.81Å; P417-Y492 WeakPolarHBondContact CD-OH 3.37Å; V422-Y492 HydrophobicContact CG2-CE1 4.09Å; V422-Y492 HydrophobicContact CG2-CE2 4.14Å; I489-Y492 HydrophobicContact CG2-CE1 3.86Å; I489-Y492 PolarHBondContact O-OH 3.12Å; I489-Y492 VanDerWaalsContact O-OH 3.13Å; I490-Y492 VanDerWaalsContact C-CE2 3.43Å; I490-Y492 WeakPolarHBondContact O-CD2 3.23Å; I490-Y492 WeakPolarHBondContact O-CE2 3.1Å; Y492-F494 AromaticContact CD1-CE2 3.79Å; Y492-F494 HydrophobicContact CD1-CE2 3.79Å; Y492-F494 HydrophobicContact CD1-CZ 4.26Å; Y492-F494 HydrophobicContact CG-CD2 4.41Å; 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	29.1 Å²	29.1	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	105	162.1	-58.7	176.3	0	0	0	107.1	V191 C193 V408 L409 A471 L534 A536	V191-I493 HydrophobicContact CG1-CD1 4.45Å; V191-I493 HydrophobicContact CG1-CG2 4.4Å; C193-I493 HydrophobicContact CB-CD1 4.01Å; C193-I493 HydrophobicContact CB-CG1 3.67Å; V408-I493 HydrophobicContact CG1-CG2 4.36Å; L409-I493 CarbonylContact O-C 3.52Å; A471-I493 HydrophobicContact CB-CB 4.15Å; A471-I493 HydrophobicContact CB-CG2 4.24Å; A471-I493 WeakPolarHBondContact CB-O 3.21Å; A471-I493 PolarHBondContact N-O 3.15Å; I493-L534 HydrophobicContact CD1-CB 3.73Å; I493-L534 HydrophobicContact CG1-CB 4.08Å; I493-L534 HydrophobicContact CG1-CD1 4.26Å; I493-A536 HydrophobicContact CD1-CB 4.27Å
494	F	98.6	Very high	95.4	Very high	2 Å²	2	28.2 Å²	28.2	1%	0.009	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	147.4	171.7	-80.5	-86.7	0	0	0	110.8	V408 L409 L413 V422 L425 L468 K469 Y492	V408-F494 CarbonylContact C-O 3.32Å; V408-F494 WeakPolarHBondContact CA-O 3.23Å; L409-F494 HydrophobicContact CB-CB 4.06Å; L409-F494 HydrophobicContact CD2-CB 4.41Å; L409-F494 HydrophobicContact CG-CB 4.47Å; L409-F494 PolarHBondContact N-O 3.1Å; L409-F494 PolarHBondContact O-N 2.89Å; L413-F494 HydrophobicContact CD1-CE2 4.33Å; V422-F494 HydrophobicContact CG1-CZ 4.42Å; L425-F494 HydrophobicContact CB-CD1 4.43Å; L425-F494 HydrophobicContact CB-CE1 3.98Å; L425-F494 HydrophobicContact CB-CE2 4.29Å; L425-F494 HydrophobicContact CB-CZ 3.9Å; L425-F494 HydrophobicContact CD1-CD2 4.07Å; L425-F494 HydrophobicContact CD1-CE2 3.68Å; L425-F494 HydrophobicContact CD1-CZ 4.1Å; L468-F494 HydrophobicContact CB-CB 4.25Å; L468-F494 HydrophobicContact CB-CD1 3.8Å; L468-F494 HydrophobicContact CB-CG 4.4Å; L468-F494 HydrophobicContact CD1-CB 4.38Å; K469-F494 WeakPolarHBondContact O-CA 3.48Å; Y492-F494 AromaticContact CD1-CE2 3.79Å; Y492-F494 HydrophobicContact CD1-CE2 3.79Å; Y492-F494 HydrophobicContact CD1-CZ 4.26Å; Y492-F494 HydrophobicContact CG-CD2 4.41Å; Y492-F494 AromaticContact CG-CE2 3.76Å; Y492-F494 HydrophobicContact CG-CE2 3.76Å
495	Y	97.5	Very high	95.6	Very high	6 Å²	6	26.1 Å²	26.1	2%	0.024	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	153.2	174.9	63.4	-87	0	0	0	111.8	L407 L468 K469 A471 K497 L500 T502 L538	L407-Y495 WeakPolarHBondContact O-CA 3.28Å; L468-Y495 CarbonylContact C-O 3.47Å; L468-Y495 WeakPolarHBondContact CA-O 3.14Å; K469-Y495 HydrophobicContact CB-CE1 4.22Å; K469-Y495 HydrophobicContact CB-CE2 4.27Å; K469-Y495 HydrophobicContact CG-CE1 4.44Å; K469-Y495 PolarHBondContact N-O 3.09Å; K469-Y495 WeakPolarHBondContact O-CD1 3.09Å; K469-Y495 WeakPolarHBondContact O-CE1 3.36Å; K469-Y495 PolarHBondContact O-N 2.86Å; A471-Y495 HydrophobicContact CB-CD1 4.29Å; A471-Y495 HydrophobicContact CB-CE1 4.18Å; Y495-K497 HydrophobicContact CD2-CG 4.49Å; Y495-K497 HydrophobicContact CE2-CG 3.85Å; Y495-K497 PolarHBondContact O-N 3.41Å; Y495-L500 HydrophobicContact CD2-CB 3.54Å; Y495-L500 WeakPolarHBondContact CD2-O 3.17Å; Y495-L500 HydrophobicContact CE2-CB 4.38Å; Y495-L500 WeakPolarHBondContact CE2-O 3.49Å; Y495-L500 HydrophobicContact CG-CB 4.16Å; Y495-T502 WeakPolarHBondContact CE1-OG1 3.39Å; Y495-T502 PolarHBondContact OH-OG1 2.75Å; Y495-T502 VanDerWaalsContact OH-OG1 3.07Å; Y495-L538 HydrophobicContact CD1-CD2 4.24Å; Y495-L538 HydrophobicContact CG-CD2 4.47Å
496	S	94.2	Very high	95.9	Very high	5 Å²	5	21 Å²	21	4%	0.035	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	115.6	179.1	-71.3	0	0	0	0	113.5	L407 F466 Q499 L500	L407-S496 PolarHBondContact N-OG 3.16Å; L407-S496 PolarHBondContact O-N 2.8Å; F466-S496 PolarHBondContact O-OG 3.03Å; F466-S496 VanDerWaalsContact O-OG 3.12Å; S496-Q499 PolarHBondContact O-N 3.04Å; S496-L500 PolarHBondContact O-N 3.38Å
497	K	89.8	Confident	95.9	Very high	68 Å²	68	17.3 Å²	17.3	30%	0.296	9%	0.089	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	143.7	163.8	-86.7	-100.5	-179.2	-170.7	0	109.9	K467 K469 Y495 N501	K467-K497 VanDerWaalsContact CB-O 3.22Å; K467-K497 WeakPolarHBondContact CB-O 3.43Å; K467-K497 PolarHBondContact O-N 2.91Å; K469-K497 HydrophobicContact CB-CG 4.25Å; Y495-K497 HydrophobicContact CD2-CG 4.49Å; Y495-K497 HydrophobicContact CE2-CG 3.85Å; Y495-K497 PolarHBondContact O-N 3.41Å; K497-N501 PolarHBondContact NZ-OD1 2.96Å
498	P	87.4	Confident	95.8	Very high	64 Å²	64	15.2 Å²	15.2	42%	0.416	8%	0.084	S	C	.	.	T	Hydrogen-bonded Turn	cis	-93.1	4.5	8.8	37	-37.2	0	0	0	115.1	F402	F402-P498 HydrophobicContact CD1-CG 3.74Å; F402-P498 HydrophobicContact CE1-CB 4.38Å; F402-P498 HydrophobicContact CE1-CG 3.72Å
499	Q	88.6	Confident	95.7	Very high	15 Å²	15	15.4 Å²	15.4	7%	0.07	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-35.1	-171.6	-65.6	175.5	-61.8	0	0	113.4	F402 T404 P406 S496 L540 L541	F402-Q499 HydrophobicContact CB-CG 3.65Å; F402-Q499 HydrophobicContact CD1-CG 4.12Å; F402-Q499 HydrophobicContact CD2-CG 4.37Å; F402-Q499 HydrophobicContact CG-CG 3.8Å; T404-Q499 PolarHBondContact O-NE2 3.01Å; P406-Q499 HydrophobicContact CB-CB 4.2Å; S496-Q499 PolarHBondContact O-N 3.04Å; Q499-L540 HydrophobicContact CB-CD1 4.33Å; Q499-L541 PolarHBondContact O-N 3.13Å
500	L	94.1	Very high	95.4	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	142.9	180	-72.3	163.9	0	0	0	110.1	F189 P406 V408 Y495 S496 L538 E539 L540	F189-L500 HydrophobicContact CE1-CD2 3.86Å; F189-L500 HydrophobicContact CZ-CD2 3.74Å; P406-L500 HydrophobicContact CB-CD1 4.03Å; P406-L500 HydrophobicContact CB-CG 4.32Å; V408-L500 HydrophobicContact CG2-CD1 3.72Å; Y495-L500 HydrophobicContact CD2-CB 3.54Å; Y495-L500 WeakPolarHBondContact CD2-O 3.17Å; Y495-L500 HydrophobicContact CE2-CB 4.38Å; Y495-L500 WeakPolarHBondContact CE2-O 3.49Å; Y495-L500 HydrophobicContact CG-CB 4.16Å; S496-L500 PolarHBondContact O-N 3.38Å; L500-L538 HydrophobicContact CD2-CB 4.37Å; L500-E539 CarbonylContact C-O 3.43Å; L500-E539 VanDerWaalsContact CA-O 3.3Å; L500-E539 WeakPolarHBondContact CA-O 3.13Å; L500-L540 HydrophobicContact CD2-CB 3.79Å; L500-L540 HydrophobicContact CD2-CD1 3.94Å; L500-L540 HydrophobicContact CD2-CG 4.46Å; L500-L540 HydrophobicContact CG-CD1 4.22Å
501	N	95.1	Very high	95	Very high	18 Å²	18	21.4 Å²	21.4	10%	0.096	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	150.5	170.8	-75.5	-31.4	0	0	0	109.5	K497 L538 E539	K497-N501 PolarHBondContact NZ-OD1 2.96Å; N501-L538 CarbonylContact O-C 3.55Å; N501-L538 VanDerWaalsContact O-CA 3.26Å; N501-L538 WeakPolarHBondContact O-CA 3.45Å; N501-E539 HydrophobicContact CB-CB 4.25Å; N501-E539 PolarHBondContact N-O 2.95Å; N501-E539 PolarHBondContact ND2-OE2 3.12Å; N501-E539 VanDerWaalsContact ND2-OE2 3.09Å; N501-E539 PolarHBondContact O-N 3.42Å
502	T	96.5	Very high	94.7	Very high	5 Å²	5	27.5 Å²	27.5	3%	0.031	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	118.9	170.8	-51.3	0	0	0	0	109.2	L177 Q178 A471 Y495 I505 A536 L538	L177-T502 HydrophobicContact CD1-CG2 3.85Å; Q178-T502 WeakPolarHBondContact CG-O 3.3Å; A471-T502 HydrophobicContact CB-CG2 4.13Å; Y495-T502 WeakPolarHBondContact CE1-OG1 3.39Å; Y495-T502 PolarHBondContact OH-OG1 2.75Å; Y495-T502 VanDerWaalsContact OH-OG1 3.07Å; T502-I505 HydrophobicContact CG2-CG2 3.84Å; T502-A536 HydrophobicContact CG2-CB 4.34Å; T502-L538 HydrophobicContact CG2-CD2 4.19Å
503	L	96.6	Very high	94.3	Very high	2 Å²	2	27.5 Å²	27.5	1%	0.01	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	-40.2	179.4	-59.8	-174.6	0	0	0	112.2	M176 L177 Q178 P180 L188 Q537 E539	M176-L503 VanDerWaalsContact SD-O 3.35Å; L177-L503 WeakPolarHBondContact CA-O 3.33Å; L177-L503 PolarHBondContact N-O 2.99Å; Q178-L503 HydrophobicContact CG-CD2 4.11Å; Q178-L503 PolarHBondContact N-O 2.95Å; Q178-L503 VanDerWaalsContact N-O 3.08Å; P180-L503 HydrophobicContact CB-CD1 4.23Å; P180-L503 HydrophobicContact CG-CD1 3.86Å; L188-L503 HydrophobicContact CD1-CD1 4.49Å; L188-L503 HydrophobicContact CD2-CD1 3.58Å; L503-Q537 HydrophobicContact CB-CB 4.47Å; L503-Q537 HydrophobicContact CB-CG 4.35Å; L503-Q537 HydrophobicContact CD1-CG 4.29Å; L503-Q537 PolarHBondContact N-O 2.71Å; L503-E539 HydrophobicContact CD1-CB 4.02Å; L503-E539 HydrophobicContact CD2-CB 3.9Å; L503-E539 HydrophobicContact CG-CB 3.89Å
504	G	97.1	Very high	93.9	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.9	168.3	177.3	0	0	0	0	0	111.9	W174 I175 A536 Q537	W174-G504 WeakPolarHBondContact CH2-O 3.49Å; W174-G504 VanDerWaalsContact CZ2-CA 3.45Å; I175-G504 CarbonylContact O-C 3.26Å; I175-G504 WeakPolarHBondContact O-CA 3.36Å; G504-A536 WeakPolarHBondContact O-CA 3.48Å; G504-Q537 PolarHBondContact O-N 3.36Å
505	I	97.9	Very high	93.4	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	160.2	-177.3	58.5	153.9	0	0	0	111.2	W174 I175 L177 Y472 L476 T502 F535 A536	W174-I505 VanDerWaalsContact CE3-O 3.29Å; W174-I505 VanDerWaalsContact CZ3-C 3.45Å; I175-I505 HydrophobicContact CB-CG1 4.02Å; I175-I505 HydrophobicContact CD1-CD1 4.26Å; I175-I505 PolarHBondContact N-O 3.28Å; I175-I505 PolarHBondContact O-N 3.4Å; L177-I505 HydrophobicContact CD1-CG1 4.47Å; L177-I505 HydrophobicContact CD1-CG2 4.21Å; Y472-I505 HydrophobicContact CD1-CD1 3.51Å; Y472-I505 HydrophobicContact CD2-CG2 4.34Å; Y472-I505 HydrophobicContact CE1-CB 4.12Å; Y472-I505 HydrophobicContact CE1-CD1 3.43Å; Y472-I505 VanDerWaalsContact CE1-CD1 3.43Å; Y472-I505 HydrophobicContact CE1-CG1 4.33Å; Y472-I505 HydrophobicContact CE2-CB 4.21Å; Y472-I505 HydrophobicContact CE2-CG2 4.03Å; Y472-I505 HydrophobicContact CG-CD1 4.23Å; L476-I505 HydrophobicContact CB-CD1 3.92Å; L476-I505 HydrophobicContact CD1-CD1 3.68Å; L476-I505 HydrophobicContact CG-CD1 4.32Å; T502-I505 HydrophobicContact CG2-CG2 3.84Å; I505-F535 CarbonylContact C-O 3.59Å; I505-F535 VanDerWaalsContact CA-O 3.28Å; I505-F535 WeakPolarHBondContact CA-O 3.46Å; I505-A536 HydrophobicContact CG2-CB 4.02Å
506	L	97.5	Very high	92.9	Very high	25 Å²	25	38 Å²	38	13%	0.131	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	116.6	167.4	-170.1	64.9	0	0	0	109.8	R172 Y472 F535	R172-L506 HydrophobicContact CB-CD1 3.68Å; R172-L506 HydrophobicContact CB-CD2 4.28Å; R172-L506 HydrophobicContact CB-CG 3.86Å; R172-L506 PolarHBondContact NH2-O 2.67Å; Y472-L506 WeakPolarHBondContact CE1-O 3.32Å; Y472-L506 PolarHBondContact OH-O 2.8Å; L506-F535 HydrophobicContact CB-CB 3.8Å; L506-F535 HydrophobicContact CB-CD1 4.46Å; L506-F535 HydrophobicContact CB-CG 4.49Å; L506-F535 HydrophobicContact CD2-CB 4.27Å; L506-F535 PolarHBondContact N-O 3.21Å
507	G	96.5	Very high	92.4	Very high	1 Å²	1	39 Å²	39	1%	0.01	20%	0.201	C	C	.	.			trans	-67	178.4	179.7	0	0	0	0	0	113.6	R172 S173	R172-G507 PolarHBondContact NE-O 3.28Å; R172-G507 PolarHBondContact NH2-O 3.33Å; S173-G507 WeakPolarHBondContact O-CA 3.34Å; S173-G507 PolarHBondContact O-N 3.35Å
508	P	95.8	Very high	92.2	Very high	45 Å²	45	40.2 Å²	40.2	29%	0.292	21%	0.21	S	C	.	.	P	Polyproline II helix	trans	-70	162.4	-178.4	30.3	-34.9	0	0	0	112.1	L476 M477	L476-P508 WeakPolarHBondContact O-CD 3.14Å; M477-P508 HydrophobicContact CG-CB 4.39Å
509	L	93.6	Very high	92.2	Very high	10 Å²	10	37.6 Å²	37.6	5%	0.052	19%	0.193	C	C	.	.	P	Polyproline II helix	trans	-64.3	142.8	161.8	-177.6	64.5	0	0	0	109.1	P169 P170 R172 H511 W513 L514 I527 F532	P169-L509 HydrophobicContact CB-CD1 3.91Å; P170-L509 HydrophobicContact CG-CD1 4.38Å; R172-L509 HydrophobicContact CG-CB 4.44Å; R172-L509 HydrophobicContact CG-CD1 4.47Å; L509-H511 PolarHBondContact O-N 2.94Å; L509-W513 HydrophobicContact CD2-CE3 4.13Å; L509-W513 HydrophobicContact CD2-CZ3 4.05Å; L509-L514 HydrophobicContact CD2-CD2 3.96Å; L509-L514 HydrophobicContact CD2-CG 4.25Å; L509-I527 HydrophobicContact CD2-CD1 3.74Å; L509-F532 HydrophobicContact CB-CE1 4.12Å; L509-F532 HydrophobicContact CB-CZ 4.46Å; L509-F532 HydrophobicContact CD2-CE1 3.8Å; L509-F532 HydrophobicContact CD2-CZ 4.16Å
510	D	92.4	Very high	92.2	Very high	75 Å²	75	38.5 Å²	38.5	40%	0.401	20%	0.201	S	C	.	.	P	Polyproline II helix	trans	-58.3	121.1	-178.3	-178.6	14.4	0	0	0	111.4	P170 H512 W513 L514	P170-D510 HydrophobicContact CG-CB 3.89Å; D510-H512 VanDerWaalsContact C-N 3.31Å; D510-H512 PolarHBondContact O-N 2.8Å; D510-H512 IonicContact OD1-CD2 3.49Å; D510-H512 PolarHBondContact OD1-N 2.98Å; D510-W513 HydrophobicContact CB-CB 4.13Å; D510-W513 PolarHBondContact O-N 3.49Å; D510-L514 PolarHBondContact O-N 2.99Å
511	H	91	Very high	92.2	Very high	96 Å²	96	38.6 Å²	38.6	44%	0.444	20%	0.202	S	C	.	.	H	α-helix	trans	-67.4	-33.9	179.3	-173.7	73.2	0	0	0	111.9	Y479 L509 W513 L514 V515	Y479-H511 PolarHBondContact OH-ND1 2.84Å; L509-H511 PolarHBondContact O-N 2.94Å; H511-W513 VanDerWaalsContact C-N 3.34Å; H511-W513 PolarHBondContact O-N 3.34Å; H511-L514 PolarHBondContact O-N 3.05Å; H511-V515 WeakPolarHBondContact O-CG2 3.3Å; H511-V515 PolarHBondContact O-N 2.99Å; H511-V515 VanDerWaalsContact O-N 3.08Å
512	H	91.1	Very high	92.3	Very high	130 Å²	130	37.8 Å²	37.8	60%	0.602	20%	0.198	S	C	*	.	H	α-helix	trans	-62.9	-44.3	177.5	-74.6	-74.1	0	0	0	110.9	D510 L514 V515 E516	D510-H512 VanDerWaalsContact C-N 3.31Å; D510-H512 PolarHBondContact O-N 2.8Å; D510-H512 IonicContact OD1-CD2 3.49Å; D510-H512 PolarHBondContact OD1-N 2.98Å; H512-L514 VanDerWaalsContact C-N 3.34Å; H512-L514 PolarHBondContact O-N 3.08Å; H512-V515 PolarHBondContact O-N 3.38Å; H512-V515 VanDerWaalsContact O-N 3.16Å; H512-E516 WeakPolarHBondContact O-CB 3.43Å; H512-E516 WeakPolarHBondContact O-CG 3.33Å; H512-E516 PolarHBondContact O-N 3.3Å
513	W	90.9	Very high	92.3	Very high	11 Å²	11	37.6 Å²	37.6	4%	0.042	20%	0.197	C	C	.	.	H	α-helix	trans	-58.9	-41.4	175	-176.6	87.5	0	0	0	112.9	E167 P169 P170 L509 D510 H511 V515 E516 N517 I519 L526 I527	E167-W513 WeakPolarHBondContact O-CZ2 3.38Å; P169-W513 HydrophobicContact CB-CE3 4.49Å; P169-W513 HydrophobicContact CB-CH2 3.85Å; P169-W513 HydrophobicContact CB-CZ2 4.02Å; P169-W513 HydrophobicContact CB-CZ3 4.1Å; P170-W513 VanDerWaalsContact CD-CG 3.45Å; P170-W513 HydrophobicContact CG-CB 4.06Å; P170-W513 HydrophobicContact CG-CG 4.05Å; L509-W513 HydrophobicContact CD2-CE3 4.13Å; L509-W513 HydrophobicContact CD2-CZ3 4.05Å; D510-W513 HydrophobicContact CB-CB 4.13Å; D510-W513 PolarHBondContact O-N 3.49Å; H511-W513 VanDerWaalsContact C-N 3.34Å; H511-W513 PolarHBondContact O-N 3.34Å; W513-V515 PolarHBondContact O-N 3.14Å; W513-E516 PolarHBondContact O-N 3.28Å; W513-N517 PolarHBondContact NE1-ND2 3.49Å; W513-N517 WeakPolarHBondContact O-CB 3.27Å; W513-N517 PolarHBondContact O-N 2.77Å; W513-N517 PolarHBondContact O-ND2 3.4Å; W513-I519 HydrophobicContact CE3-CD1 4.2Å; W513-I519 HydrophobicContact CH2-CD1 3.56Å; W513-I519 HydrophobicContact CZ3-CD1 3.36Å; W513-L526 HydrophobicContact CH2-CB 4.48Å; W513-L526 HydrophobicContact CH2-CD1 3.97Å; W513-L526 HydrophobicContact CZ2-CD1 3.91Å; W513-I527 HydrophobicContact CZ3-CD1 4.24Å
514	L	90.4	Very high	92.1	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-61.1	-43.9	175.5	-70.7	169.6	0	0	0	111.9	Y479 Y482 L509 D510 H511 H512 N518 I519 I527	Y479-L514 HydrophobicContact CE2-CD1 4.46Å; Y479-L514 VanDerWaalsContact OH-CD1 3.26Å; Y479-L514 WeakPolarHBondContact OH-CD1 3.39Å; Y482-L514 HydrophobicContact CE2-CD1 4.41Å; L509-L514 HydrophobicContact CD2-CD2 3.96Å; L509-L514 HydrophobicContact CD2-CG 4.25Å; D510-L514 PolarHBondContact O-N 2.99Å; H511-L514 PolarHBondContact O-N 3.05Å; H512-L514 VanDerWaalsContact C-N 3.34Å; H512-L514 PolarHBondContact O-N 3.08Å; L514-N518 PolarHBondContact O-N 3.32Å; L514-I519 HydrophobicContact CD2-CB 3.9Å; L514-I519 HydrophobicContact CD2-CD1 4.07Å; L514-I519 HydrophobicContact CD2-CG2 3.81Å; L514-I519 PolarHBondContact O-N 3.2Å; L514-I527 HydrophobicContact CD2-CD1 4.05Å
515	V	87.5	Confident	91.9	Very high	86 Å²	86	40.5 Å²	40.5	52%	0.521	21%	0.212	S	C	.	.	H	α-helix	trans	-66.9	-46.5	179	174	0	0	0	0	111.3	H511 H512 W513 N517 N518	H511-V515 WeakPolarHBondContact O-CG2 3.3Å; H511-V515 PolarHBondContact O-N 2.99Å; H511-V515 VanDerWaalsContact O-N 3.08Å; H512-V515 PolarHBondContact O-N 3.38Å; H512-V515 VanDerWaalsContact O-N 3.16Å; W513-V515 PolarHBondContact O-N 3.14Å; V515-N517 VanDerWaalsContact C-N 3.28Å; V515-N517 PolarHBondContact O-N 3.37Å; V515-N518 PolarHBondContact O-N 3.21Å; V515-N518 VanDerWaalsContact O-N 3.08Å
516	E	86.7	Confident	91.5	Very high	141 Å²	141	42.6 Å²	42.6	66%	0.659	22%	0.223	S	C	*	.	H	α-helix	trans	-62.3	-34.7	179.8	-74.6	179.5	174.5	0	0	112.5	H512 W513 N518	H512-E516 WeakPolarHBondContact O-CB 3.43Å; H512-E516 WeakPolarHBondContact O-CG 3.33Å; H512-E516 PolarHBondContact O-N 3.3Å; W513-E516 PolarHBondContact O-N 3.28Å; E516-N518 VanDerWaalsContact C-N 3.32Å
517	N	84.8	Confident	91.4	Very high	28 Å²	28	42 Å²	42	15%	0.15	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	6.9	177.1	-69.7	-85.1	0	0	0	113.5	T165 W513 V515 I519	T165-N517 PolarHBondContact OG1-OD1 2.98Å; W513-N517 PolarHBondContact NE1-ND2 3.49Å; W513-N517 WeakPolarHBondContact O-CB 3.27Å; W513-N517 PolarHBondContact O-N 2.77Å; W513-N517 PolarHBondContact O-ND2 3.4Å; V515-N517 VanDerWaalsContact C-N 3.28Å; V515-N517 PolarHBondContact O-N 3.37Å; N517-I519 HydrophobicContact CB-CD1 3.91Å; N517-I519 HydrophobicContact CB-CG1 3.97Å; N517-I519 PolarHBondContact O-N 2.85Å
518	N	83.8	Confident	91.4	Very high	92 Å²	92	42.7 Å²	42.7	49%	0.492	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.5	37.3	-178.4	-59.9	112.4	0	0	0	113.7	N95 L514 V515 E516 S520	N95-N518 PolarHBondContact ND2-OD1 2.85Å; L514-N518 PolarHBondContact O-N 3.32Å; V515-N518 PolarHBondContact O-N 3.21Å; V515-N518 VanDerWaalsContact O-N 3.08Å; E516-N518 VanDerWaalsContact C-N 3.32Å; N518-S520 PolarHBondContact O-N 3.29Å
519	I	89	Confident	91.6	Very high	9 Å²	9	40.6 Å²	40.6	5%	0.046	21%	0.21	C	C	.	.			trans	-87.1	104.2	178.5	-59.4	172.5	0	0	0	108.2	Y482 W513 L514 N517 H524	Y482-I519 PolarHBondContact OH-O 2.68Å; Y482-I519 VanDerWaalsContact OH-O 3.1Å; W513-I519 HydrophobicContact CE3-CD1 4.2Å; W513-I519 HydrophobicContact CH2-CD1 3.56Å; W513-I519 HydrophobicContact CZ3-CD1 3.36Å; L514-I519 HydrophobicContact CD2-CB 3.9Å; L514-I519 HydrophobicContact CD2-CD1 4.07Å; L514-I519 HydrophobicContact CD2-CG2 3.81Å; L514-I519 PolarHBondContact O-N 3.2Å; N517-I519 HydrophobicContact CB-CD1 3.91Å; N517-I519 HydrophobicContact CB-CG1 3.97Å; N517-I519 PolarHBondContact O-N 2.85Å; I519-H524 HydrophobicContact CG2-CB 4.47Å
520	S	88	Confident	91.8	Very high	35 Å²	35	40.6 Å²	40.6	25%	0.245	21%	0.21	C	C	.	.			trans	-93.8	-12.7	-178.2	57.8	0	0	0	0	114.2	K487 N518	K487-S520 WeakPolarHBondContact CE-O 3.37Å; K487-S520 PolarHBondContact NZ-O 2.86Å; N518-S520 PolarHBondContact O-N 3.29Å
521	G	94.1	Very high	92.1	Very high	2 Å²	2	37.3 Å²	37.3	2%	0.021	19%	0.193	C	C	.	.	S	Bend	trans	-166.7	160.8	179.4	0	0	0	0	0	111.9
522	C	96.9	Very high	92.4	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.007	17%	0.174	C	C	.	.	S	Bend	trans	-118.8	156	175.3	-66.1	0	0	0	0	109.8	Y209 Y482 I527 S529 D530	Y209-C522 PolarHBondContact OH-O 2.92Å; Y482-C522 HydrophobicContact CD1-CB 4.48Å; Y482-C522 WeakPolarHBondContact O-CA 3.43Å; Y482-C522 WeakPolarHBondContact O-CB 3.41Å; Y482-C522 PolarHBondContact O-N 2.96Å; C522-I527 HydrophobicContact CB-CG2 4.18Å; C522-I527 VanDerWaalsContact SG-CD1 3.53Å; C522-S529 WeakPolarHBondContact CB-O 3.33Å; C522-D530 WeakPolarHBondContact O-CB 3.36Å
523	P	96.4	Very high	92.8	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.006	15%	0.146	C	C	.	.	S	Bend	cis	-69.2	158	4.1	33.5	-36.3	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 4.28Å; Y207-P523 HydrophobicContact CG-CG 4.24Å; C210-P523 WeakPolarHBondContact CB-O 3.42Å; C210-P523 PolarHBondContact SG-O 3.21Å; L215-P523 HydrophobicContact CD2-CG 3.46Å; L215-P523 VanDerWaalsContact CD2-CG 3.46Å; P523-I527 CarbonylContact C-O 3.55Å; P523-I527 VanDerWaalsContact CA-O 3.25Å; P523-I527 WeakPolarHBondContact CA-O 3.26Å; P523-I527 WeakPolarHBondContact CB-O 3.33Å
524	H	93.8	Very high	93.1	Very high	43 Å²	43	26.9 Å²	26.9	20%	0.199	15%	0.145	C	C	.	.	B	Isolated β-bridge	trans	-135.8	157.6	-179.3	179.2	-95.4	0	0	0	107.5	I519 L526 I527	I519-H524 HydrophobicContact CG2-CB 4.47Å; H524-L526 PolarHBondContact ND1-N 3.04Å; H524-L526 PolarHBondContact O-N 2.83Å; H524-I527 HydrophobicContact CB-CB 4.21Å; H524-I527 PolarHBondContact N-O 3.07Å; H524-I527 CarbonylContact O-C 3.52Å; H524-I527 VanDerWaalsContact O-C 3.32Å; H524-I527 PolarHBondContact O-N 2.97Å
525	P	91.3	Very high	93.5	Very high	19 Å²	19	28 Å²	28	12%	0.123	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-45.1	-26.5	174.4	-37.2	38	0	0	0	117.4	P211 W213 A214 Y219	P211-P525 HydrophobicContact CG-CG 4.12Å; W213-P525 HydrophobicContact CH2-CB 3.59Å; W213-P525 HydrophobicContact CH2-CG 3.7Å; W213-P525 HydrophobicContact CZ2-CB 4.39Å; W213-P525 HydrophobicContact CZ2-CG 4.02Å; W213-P525 HydrophobicContact CZ3-CB 4.11Å; W213-P525 HydrophobicContact CZ3-CG 4.39Å; A214-P525 HydrophobicContact CB-CB 4.31Å; A214-P525 HydrophobicContact CB-CG 3.85Å; Y219-P525 WeakPolarHBondContact CE1-O 3.28Å; Y219-P525 PolarHBondContact OH-O 3.2Å
526	L	91	Very high	94	Very high	45 Å²	45	23.9 Å²	23.9	24%	0.236	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.3	-6.5	178.5	-59	176	0	0	0	114	W513 H524	W513-L526 HydrophobicContact CH2-CB 4.48Å; W513-L526 HydrophobicContact CH2-CD1 3.97Å; W513-L526 HydrophobicContact CZ2-CD1 3.91Å; H524-L526 PolarHBondContact ND1-N 3.04Å; H524-L526 PolarHBondContact O-N 2.83Å
527	I	95.4	Very high	94.6	Very high	11 Å²	11	20 Å²	20	6%	0.056	11%	0.107	C	C	.	.	B	Isolated β-bridge	trans	-133	104.7	-177	-55	171.3	0	0	0	107.8	L509 W513 L514 C522 P523 H524 S529 F532	L509-I527 HydrophobicContact CD2-CD1 3.74Å; W513-I527 HydrophobicContact CZ3-CD1 4.24Å; L514-I527 HydrophobicContact CD2-CD1 4.05Å; C522-I527 HydrophobicContact CB-CG2 4.18Å; C522-I527 VanDerWaalsContact SG-CD1 3.53Å; P523-I527 CarbonylContact C-O 3.55Å; P523-I527 VanDerWaalsContact CA-O 3.25Å; P523-I527 WeakPolarHBondContact CA-O 3.26Å; P523-I527 WeakPolarHBondContact CB-O 3.33Å; H524-I527 HydrophobicContact CB-CB 4.21Å; H524-I527 PolarHBondContact N-O 3.07Å; H524-I527 CarbonylContact O-C 3.52Å; H524-I527 VanDerWaalsContact O-C 3.32Å; H524-I527 PolarHBondContact O-N 2.97Å; I527-S529 WeakPolarHBondContact CG2-O 3.35Å; I527-S529 PolarHBondContact O-N 2.77Å; I527-F532 HydrophobicContact CD1-CE1 4.19Å; I527-F532 HydrophobicContact CD1-CZ 4.4Å; I527-F532 HydrophobicContact CG2-CE1 3.97Å
528	P	96.6	Very high	95.2	Very high	17 Å²	17	18.7 Å²	18.7	11%	0.11	10%	0.1	C	C	.	.			trans	-86.1	-3.3	-162.1	35.8	-40.1	0	0	0	115.5	R220 A223 I224	R220-P528 HydrophobicContact CB-CB 4.14Å; R220-P528 WeakPolarHBondContact CD-O 3.3Å; R220-P528 HydrophobicContact CG-CB 4.45Å; R220-P528 PolarHBondContact NH1-O 3.02Å; A223-P528 HydrophobicContact CB-CB 3.77Å; A223-P528 HydrophobicContact CB-CG 3.69Å; I224-P528 HydrophobicContact CD1-CB 4.48Å; I224-P528 HydrophobicContact CG1-CB 3.8Å; I224-P528 HydrophobicContact CG1-CG 3.79Å
529	S	98.3	Very high	95.8	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	8%	0.076	C	C	.	.	S	Bend	trans	-130.1	156.4	174.1	179.9	0	0	0	0	108.6	Y194 N195 C522 I527 H531	Y194-S529 WeakPolarHBondContact OH-CB 3.4Å; N195-S529 PolarHBondContact O-OG 3.25Å; C522-S529 WeakPolarHBondContact CB-O 3.33Å; I527-S529 WeakPolarHBondContact CG2-O 3.35Å; I527-S529 PolarHBondContact O-N 2.77Å; S529-H531 PolarHBondContact OG-N 3.19Å; S529-H531 VanDerWaalsContact OG-N 3.08Å
530	D	98.3	Very high	96	Very high	10 Å²	10	14 Å²	14	5%	0.053	8%	0.075	C	C	.	.	S	Bend	trans	-76.3	-9.5	167	60.6	-34.6	0	0	0	113.1	Y207 N481 Y482 T483 C522	Y207-D530 HydrophobicContact CE1-CB 3.81Å; Y207-D530 VanDerWaalsContact OH-CG 3.24Å; Y207-D530 PolarHBondContact OH-OD2 2.82Å; N481-D530 WeakPolarHBondContact CA-O 3.48Å; N481-D530 PolarHBondContact ND2-OD2 3.3Å; N481-D530 VanDerWaalsContact ND2-OD2 3.13Å; Y482-D530 PolarHBondContact N-O 2.66Å; T483-D530 HydrophobicContact CG2-CB 3.94Å; C522-D530 WeakPolarHBondContact O-CB 3.36Å
531	H	98.6	Very high	96.1	Very high	7 Å²	7	13.2 Å²	13.2	3%	0.032	7%	0.067	C	C	.	.	B	Isolated β-bridge	trans	-100.2	150.2	168.8	-63.7	-116.5	0	0	0	111.9	Y194 N195 D412 T480 N481 D491 S529	Y194-H531 WeakPolarHBondContact CE2-O 3.49Å; N195-H531 HydrophobicContact CB-CB 4.09Å; D412-H531 IonicContact OD2-CE1 3.92Å; D412-H531 PolarHBondContact OD2-CE1 3.49Å; D412-H531 VanDerWaalsContact OD2-CE1 3.27Å; D412-H531 IonicContact OD2-NE2 3.74Å; T480-H531 CarbonylContact O-C 3.45Å; T480-H531 WeakPolarHBondContact O-CA 3.37Å; N481-H531 PolarHBondContact ND2-CD2 3.46Å; N481-H531 PolarHBondContact ND2-CE1 3.41Å; N481-H531 PolarHBondContact ND2-NE2 2.75Å; D491-H531 IonicContact OD1-CE1 3.65Å; D491-H531 IonicContact OD1-ND1 2.78Å; D491-H531 PolarHBondContact OD1-ND1 2.92Å; D491-H531 IonicContact OD2-CE1 3.53Å; D491-H531 IonicContact OD2-CG 2.75Å; D491-H531 IonicContact OD2-ND1 3.43Å; D491-H531 PolarHBondContact OD2-ND1 3.31Å; S529-H531 PolarHBondContact OG-N 3.19Å; S529-H531 VanDerWaalsContact OG-N 3.08Å
532	F	98.1	Very high	95.5	Very high	14 Å²	14	13.8 Å²	13.8	6%	0.061	7%	0.07	C	C	.	.	P	Polyproline II helix	trans	-96.5	138.7	166.4	-66.6	-67.9	0	0	0	109.9	M477 Y479 T480 Y482 L509 I527	M477-F532 HydrophobicContact CE-CB 3.56Å; M477-F532 HydrophobicContact CE-CG 4.34Å; Y479-F532 AromaticContact CD2-CD2 3.92Å; Y479-F532 HydrophobicContact CD2-CD2 3.92Å; Y479-F532 AromaticContact CD2-CE2 3.72Å; Y479-F532 HydrophobicContact CD2-CE2 3.72Å; Y479-F532 HydrophobicContact CE2-CD2 4.12Å; 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 3.13Å; Y482-F532 HydrophobicContact CG-CE2 4.11Å; L509-F532 HydrophobicContact CB-CE1 4.12Å; L509-F532 HydrophobicContact CB-CZ 4.46Å; L509-F532 HydrophobicContact CD2-CE1 3.8Å; L509-F532 HydrophobicContact CD2-CZ 4.16Å; I527-F532 HydrophobicContact CD1-CE1 4.19Å; I527-F532 HydrophobicContact CD1-CZ 4.4Å; I527-F532 HydrophobicContact CG2-CE1 3.97Å
533	S	98.1	Very high	94.2	Very high	1 Å²	1	16 Å²	16	1%	0.007	8%	0.084	C	C	.	.	P	Polyproline II helix	trans	-63	138.7	177.5	68.3	0	0	0	0	111.3	R172 E227	R172-S533 VanDerWaalsContact CZ-O 3.28Å; R172-S533 PolarHBondContact NH1-O 3.4Å; R172-S533 PolarHBondContact NH1-OG 3.11Å; R172-S533 PolarHBondContact NH2-O 3.18Å; E227-S533 PolarHBondContact OE1-OG 3.24Å
534	L	98.6	Very high	92.5	Very high	2 Å²	2	22.1 Å²	22.1	1%	0.01	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	140.2	164.5	-62.1	179.6	0	0	0	108.8	M192 C193 Y472 M477 T480 D491 I493	M192-L534 CarbonylContact C-O 3.51Å; M192-L534 VanDerWaalsContact CA-O 3.22Å; M192-L534 WeakPolarHBondContact CA-O 3.46Å; C193-L534 HydrophobicContact CB-CB 4.22Å; C193-L534 PolarHBondContact N-O 3.1Å; C193-L534 PolarHBondContact O-N 3.35Å; Y472-L534 HydrophobicContact CD1-CD2 4.22Å; Y472-L534 HydrophobicContact CD2-CD2 4.02Å; Y472-L534 HydrophobicContact CE1-CD2 3.9Å; Y472-L534 HydrophobicContact CE2-CB 3.86Å; Y472-L534 HydrophobicContact CE2-CD2 3.71Å; Y472-L534 HydrophobicContact CE2-CG 4.25Å; Y472-L534 HydrophobicContact CG-CD2 4.28Å; M477-L534 HydrophobicContact CE-CD2 4.33Å; M477-L534 HydrophobicContact SD-CD2 3.53Å; M477-L534 VanDerWaalsContact SD-CD2 3.53Å; T480-L534 HydrophobicContact CG2-CD2 3.87Å; T480-L534 HydrophobicContact CG2-CG 4.46Å; D491-L534 VanDerWaalsContact C-CD1 3.48Å; D491-L534 HydrophobicContact CB-CD1 3.83Å; D491-L534 HydrophobicContact CB-CG 4.4Å; D491-L534 WeakPolarHBondContact O-CD1 3.36Å; I493-L534 HydrophobicContact CD1-CB 3.73Å; I493-L534 HydrophobicContact CG1-CB 4.08Å; I493-L534 HydrophobicContact CG1-CD1 4.26Å
535	F	98.5	Very high	90.7	Very high	24 Å²	24	25.1 Å²	25.1	11%	0.105	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	127.4	176.1	-179.3	-73.8	0	0	0	109.6	W174 V191 M192 C231 A233 Y472 I505 L506	W174-F535 HydrophobicContact CH2-CD1 4.1Å; W174-F535 AromaticContact CH2-CE1 3.83Å; W174-F535 HydrophobicContact CH2-CE1 3.83Å; W174-F535 AromaticContact CZ3-CD1 3.55Å; W174-F535 HydrophobicContact CZ3-CD1 3.55Å; W174-F535 AromaticContact CZ3-CE1 3.51Å; W174-F535 HydrophobicContact CZ3-CE1 3.51Å; V191-F535 WeakPolarHBondContact O-CA 3.28Å; M192-F535 HydrophobicContact CB-CD2 4.33Å; C231-F535 HydrophobicContact CB-CD2 3.69Å; C231-F535 HydrophobicContact CB-CE2 3.83Å; C231-F535 WeakPolarHBondContact O-CE2 3.43Å; A233-F535 HydrophobicContact CB-CD2 3.92Å; A233-F535 HydrophobicContact CB-CE2 3.55Å; Y472-F535 PolarHBondContact OH-N 3.24Å; Y472-F535 PolarHBondContact OH-O 2.83Å; I505-F535 CarbonylContact C-O 3.59Å; I505-F535 VanDerWaalsContact CA-O 3.28Å; I505-F535 WeakPolarHBondContact CA-O 3.46Å; L506-F535 HydrophobicContact CB-CB 3.8Å; L506-F535 HydrophobicContact CB-CD1 4.46Å; L506-F535 HydrophobicContact CB-CG 4.49Å; L506-F535 HydrophobicContact CD2-CB 4.27Å; L506-F535 PolarHBondContact N-O 3.21Å
536	A	98.3	Very high	88.4	Confident	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	140.1	178.9	0	0	0	0	0	110.8	S190 V191 A471 I493 T502 G504 I505 L538	S190-A536 CarbonylContact C-O 3.58Å; S190-A536 VanDerWaalsContact CA-O 3.32Å; S190-A536 WeakPolarHBondContact CA-O 3.39Å; V191-A536 PolarHBondContact N-O 3.39Å; V191-A536 PolarHBondContact O-N 2.77Å; A471-A536 HydrophobicContact CB-CB 3.86Å; I493-A536 HydrophobicContact CD1-CB 4.27Å; T502-A536 HydrophobicContact CG2-CB 4.34Å; G504-A536 WeakPolarHBondContact O-CA 3.48Å; I505-A536 HydrophobicContact CG2-CB 4.02Å; A536-L538 HydrophobicContact CB-CD2 4.27Å
537	Q	98.4	Very high	86.1	Confident	60 Å²	60	34.6 Å²	34.6	28%	0.28	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	121.8	165.9	-174.6	175.3	42.9	0	0	108.7	W174 L503 G504	W174-Q537 HydrophobicContact CH2-CB 3.68Å; W174-Q537 HydrophobicContact CZ2-CB 3.87Å; L503-Q537 HydrophobicContact CB-CB 4.47Å; L503-Q537 HydrophobicContact CB-CG 4.35Å; L503-Q537 HydrophobicContact CD1-CG 4.29Å; L503-Q537 PolarHBondContact N-O 2.71Å; G504-Q537 PolarHBondContact O-N 3.36Å
538	L	97.8	Very high	83.4	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	147.4	-179.7	-56.8	-176.7	0	0	0	110.7	F189 V191 V408 Y495 L500 N501 T502 A536	F189-L538 HydrophobicContact CE1-CB 4.31Å; F189-L538 HydrophobicContact CE2-CB 4.13Å; F189-L538 HydrophobicContact CE2-CD1 4.02Å; F189-L538 HydrophobicContact CZ-CB 3.95Å; F189-L538 HydrophobicContact CZ-CD1 4.15Å; F189-L538 PolarHBondContact N-O 2.91Å; F189-L538 PolarHBondContact O-N 3.43Å; V191-L538 HydrophobicContact CG2-CD1 3.83Å; V191-L538 HydrophobicContact CG2-CG 4.35Å; V408-L538 HydrophobicContact CG1-CD1 4.39Å; V408-L538 HydrophobicContact CG2-CD1 3.79Å; Y495-L538 HydrophobicContact CD1-CD2 4.24Å; Y495-L538 HydrophobicContact CG-CD2 4.47Å; L500-L538 HydrophobicContact CD2-CB 4.37Å; N501-L538 CarbonylContact O-C 3.55Å; N501-L538 VanDerWaalsContact O-CA 3.26Å; N501-L538 WeakPolarHBondContact O-CA 3.45Å; T502-L538 HydrophobicContact CG2-CD2 4.19Å; A536-L538 HydrophobicContact CB-CD2 4.27Å
539	E	95.8	Very high	80.7	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	121.5	172.8	170.6	-174.9	-112.2	0	0	108.7	P180 D181 T186 L188 L500 N501 L503 L541	P180-E539 VanDerWaalsContact CA-OE1 3.26Å; P180-E539 WeakPolarHBondContact CA-OE1 3.32Å; D181-E539 PolarHBondContact N-OE1 3.35Å; T186-E539 HydrophobicContact CG2-CG 4.03Å; L188-E539 HydrophobicContact CD2-CB 3.71Å; L188-E539 HydrophobicContact CD2-CG 3.88Å; L500-E539 CarbonylContact C-O 3.43Å; L500-E539 VanDerWaalsContact CA-O 3.3Å; L500-E539 WeakPolarHBondContact CA-O 3.13Å; N501-E539 HydrophobicContact CB-CB 4.25Å; N501-E539 PolarHBondContact N-O 2.95Å; N501-E539 PolarHBondContact ND2-OE2 3.12Å; N501-E539 VanDerWaalsContact ND2-OE2 3.09Å; N501-E539 PolarHBondContact O-N 3.42Å; L503-E539 HydrophobicContact CD1-CB 4.02Å; L503-E539 HydrophobicContact CD2-CB 3.9Å; L503-E539 HydrophobicContact CG-CB 3.89Å; E539-L541 HydrophobicContact CG-CD2 3.94Å
540	L	93.6	Very high	78	Confident	3 Å²	3	49.5 Å²	49.5	2%	0.016	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	119.2	171.5	176.5	63.5	0	0	0	110.2	T186 A187 F189 L334 Q353 P406 Q499 L500 L542	T186-L540 CarbonylContact C-O 3.49Å; T186-L540 VanDerWaalsContact CA-O 3.23Å; T186-L540 WeakPolarHBondContact CA-O 3.39Å; A187-L540 HydrophobicContact CB-CB 4.37Å; A187-L540 PolarHBondContact N-O 3.44Å; A187-L540 PolarHBondContact O-N 3.49Å; F189-L540 HydrophobicContact CE1-CB 4.11Å; L334-L540 HydrophobicContact CD2-CD2 4.37Å; Q353-L540 HydrophobicContact CG-CD2 3.83Å; P406-L540 HydrophobicContact CB-CD1 4.14Å; P406-L540 HydrophobicContact CG-CD1 3.82Å; Q499-L540 HydrophobicContact CB-CD1 4.33Å; L500-L540 HydrophobicContact CD2-CB 3.79Å; L500-L540 HydrophobicContact CD2-CD1 3.94Å; L500-L540 HydrophobicContact CD2-CG 4.46Å; L500-L540 HydrophobicContact CG-CD1 4.22Å; L540-L542 HydrophobicContact CD2-CD2 4.05Å; L540-L542 HydrophobicContact CG-CD2 4.14Å
541	L	89.5	Confident	75.1	Confident	17 Å²	17	56.3 Å²	56.3	9%	0.089	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	120.6	174.9	-55.1	-177	0	0	0	110.1	D181 R184 T186 Q499 E539	D181-L541 HydrophobicContact CB-CD2 4.2Å; R184-L541 HydrophobicContact CG-CD2 4.39Å; T186-L541 HydrophobicContact CG2-CD2 3.67Å; Q499-L541 PolarHBondContact O-N 3.13Å; E539-L541 HydrophobicContact CG-CD2 3.94Å
542	L	82.9	Confident	72.3	Confident	14 Å²	14	64.8 Å²	64.8	7%	0.073	35%	0.352	C	S	.	.	P	Polyproline II helix	trans	-92.7	145.7	177.8	-58.3	172.9	0	0	0	110.9	R184 P185 I339 Q353 L540 F544	R184-L542 VanDerWaalsContact CZ-O 3.28Å; R184-L542 PolarHBondContact NE-O 3.22Å; R184-L542 PolarHBondContact NH2-O 3.39Å; P185-L542 HydrophobicContact CB-CB 4.28Å; P185-L542 HydrophobicContact CB-CD1 4.2Å; P185-L542 WeakPolarHBondContact O-CB 3.16Å; P185-L542 PolarHBondContact O-N 3.17Å; I339-L542 HydrophobicContact CB-CD1 4.28Å; I339-L542 HydrophobicContact CD1-CD1 3.78Å; I339-L542 HydrophobicContact CG1-CD1 3.89Å; I339-L542 HydrophobicContact CG2-CD1 3.44Å; I339-L542 VanDerWaalsContact CG2-CD1 3.44Å; Q353-L542 HydrophobicContact CB-CD2 4.44Å; Q353-L542 HydrophobicContact CG-CD2 3.7Å; Q353-L542 VanDerWaalsContact OE1-CD2 3.3Å; L540-L542 HydrophobicContact CD2-CD2 4.05Å; L540-L542 HydrophobicContact CG-CD2 4.14Å; L542-F544 PolarHBondContact O-N 3.18Å
543	P	70	Confident	69.5	Low	48 Å²	48	71.3 Å²	71.3	31%	0.312	39%	0.386	S	S	.	.	P	Polyproline II helix	trans	-59.4	136	177.8	22.6	-30.7	0	0	0	111.3
544	F	60.7	Low	66.6	Low	129 Å²	129	76.9 Å²	76.9	57%	0.566	42%	0.422	S	S	*	.			trans	-88.3	111.7	172.7	-168.4	-92	0	0	0	107.5	L542 P546	L542-F544 PolarHBondContact O-N 3.18Å; F544-P546 VanDerWaalsContact O-CD 3.32Å; F544-P546 WeakPolarHBondContact O-CD 3.38Å
545	L	54.2	Low	63.8	Low	106 Å²	106	80.3 Å²	80.3	56%	0.555	46%	0.458	S	S	*	.			trans	-80.1	114.1	167.4	-75.9	166.3	0	0	0	107.4	Q547	L545-Q547 PolarHBondContact O-N 3.14Å
546	P	44.3	Very low	61.1	Low	93 Å²	93	91.2 Å²	91.2	60%	0.604	50%	0.499	S	S	*	.			trans	-63.3	132.6	169.8	-0.4	12.7	0	0	0	108	F544 V548	F544-P546 VanDerWaalsContact O-CD 3.32Å; F544-P546 WeakPolarHBondContact O-CD 3.38Å; P546-V548 PolarHBondContact O-N 3.22Å
547	Q	42	Very low	58.3	Low	170 Å²	170	106.4 Å²	106.4	79%	0.794	56%	0.556	S	S	*	*			trans	-55.4	111.7	164	-82.5	-178.4	-28.9	0	0	107.4	L545 N549	L545-Q547 PolarHBondContact O-N 3.14Å; Q547-N549 PolarHBondContact O-N 3.04Å
548	V	40	Very low	56.3	Low	137 Å²	137	108.7 Å²	108.7	83%	0.83	57%	0.57	S	S	*	*			trans	-63.8	95.5	166.6	-178.2	0	0	0	0	105.7	P546 G550	P546-V548 PolarHBondContact O-N 3.22Å; V548-G550 PolarHBondContact O-N 3.2Å
549	N	39.7	Very low	54.1	Low	135 Å²	135	114.4 Å²	114.4	72%	0.722	60%	0.6	S	S	*	*			trans	-58	109.9	164.4	-81	-20.8	0	0	0	105.8	Q547 I551	Q547-N549 PolarHBondContact O-N 3.04Å; N549-I551 PolarHBondContact O-N 3.07Å
550	G	40.6	Very low	51.8	Low	70 Å²	70	120.8 Å²	120.8	72%	0.722	63%	0.633	S	S	*	*			trans	-54.9	102.3	179	0	0	0	0	0	109.7	V548 H552	V548-G550 PolarHBondContact O-N 3.2Å; G550-H552 PolarHBondContact O-N 3.38Å
551	I	37.3	Very low	49.4	Very low	153 Å²	153	127.7 Å²	127.7	79%	0.785	67%	0.67	S	S	*	*			trans	-68.2	104.4	165	-61.6	177.3	0	0	0	105	N549 L553	N549-I551 PolarHBondContact O-N 3.07Å; I551-L553 PolarHBondContact O-N 3.31Å
552	H	39.8	Very low	46.9	Very low	184 Å²	184	134.6 Å²	134.6	85%	0.852	71%	0.706	S	S	*	*			trans	-52.3	106.1	164.2	-107.5	-64.6	0	0	0	108.1	G550	G550-H552 PolarHBondContact O-N 3.38Å
553	L	38.7	Very low	44.5	Very low	151 Å²	151	142.7 Å²	142.7	79%	0.791	75%	0.748	S	S	*	*	P	Polyproline II helix	trans	-66.5	124.1	163.4	-76.4	162.1	0	0	0	107.3	I551 G555	I551-L553 PolarHBondContact O-N 3.31Å; L553-G555 PolarHBondContact O-N 3.33Å
554	P	38.8	Very low	42.6	Very low	118 Å²	118	149.4 Å²	149.4	77%	0.766	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-67.5	118.5	172.8	26.2	-28.3	0	0	0	107.8	R556	P554-R556 PolarHBondContact O-N 3.04Å
555	G	40	Very low	41.3	Very low	74 Å²	74	151 Å²	151	76%	0.763	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-57.1	123.3	176.5	0	0	0	0	0	110.3	L553 R557	L553-G555 PolarHBondContact O-N 3.33Å; G555-R557 PolarHBondContact O-N 3.04Å
556	R	41.1	Very low	40.2	Very low	253 Å²	253	154.8 Å²	154.8	96%	0.955	82%	0.816	S	S	*	*			trans	-66.2	113.2	161.3	-74.1	-176.1	175.8	-167.4	-1.2	107.5	P554	P554-R556 PolarHBondContact O-N 3.04Å
557	R	39.9	Very low	39.8	Very low	319 Å²	319	160.4 Å²	160.4	100%	1.204	84%	0.835	S	S	*	*			trans	-96.3	0	153.7	-86.2	-171.2	177	-173.1	-0.1	108.5	G555	G555-R557 PolarHBondContact O-N 3.04Å

Retrieved 557 of 557 residues in 415.5 ms (Link to these results)

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