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Tripeptidyl-peptidase 1

Lysosomal serine protease with tripeptidyl-peptidase I activity. May act as a non-specific lysosomal peptidase which generates tripeptides from the breakdown products produced by lysosomal proteinases. Requires substrates with an unsubstituted N-terminus.

AlphaFold DB (A0A2K5ZGP4), UniProt , Accession A0A096MQ92, Species PAPAN (Papio anubis, Olive baboon), Gene TPP1, Length 563 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.4	Very low	32.8	Very low	254 Å²	254	154.6 Å²	154.6	100%	1.251	88%	0.879	S	S	*	*				0	115.1	0	-64.9	167.5	75	0	0	105.9
2	G	34.3	Very low	32.9	Very low	65 Å²	65	150 Å²	150	67%	0.67	87%	0.874	S	S	*	*			cis	158.2	137.3	10.7	0	0	0	0	0	105
3	L	32.1	Very low	33.3	Very low	170 Å²	170	151.5 Å²	151.5	89%	0.89	88%	0.875	S	S	*	*			trans	58.2	105.3	166.4	-73.8	85.4	0	0	0	119
4	Q	29.8	Very low	33.7	Very low	204 Å²	204	151.1 Å²	151.1	95%	0.953	87%	0.866	S	S	*	*				-174	88.3	114.8	-104.4	175.3	-18.7	0	0	109.9
5	A	34.4	Very low	33.9	Very low	90 Å²	90	152.9 Å²	152.9	74%	0.744	87%	0.87	S	S	*	*			trans	-96.4	157.9	158.7	0	0	0	0	0	108.7
6	C	31.5	Very low	34.3	Very low	119 Å²	119	149.4 Å²	149.4	80%	0.804	86%	0.858	S	S	*	*			trans	75.1	79.9	167.1	-63	0	0	0	0	117.2
7	L	29.4	Very low	34.8	Very low	177 Å²	177	144.6 Å²	144.6	93%	0.927	85%	0.849	S	S	*	*			trans	-169.8	56.4	148.8	-107.7	140.5	0	0	0	112.4
8	L	31.2	Very low	36.1	Very low	185 Å²	185	146.9 Å²	146.9	97%	0.969	85%	0.847	S	S	*	*	S	Bend	trans	-141.7	27.6	175.6	-100.9	166	0	0	0	114.1
9	G	35.6	Very low	38.4	Very low	68 Å²	68	144.3 Å²	144.3	70%	0.701	84%	0.836	S	S	*	*	S	Bend	trans	-151.1	56.9	-178.5	0	0	0	0	0	112.9
10	L	33.8	Very low	41	Very low	163 Å²	163	139.6 Å²	139.6	85%	0.853	81%	0.812	S	S	*	*	S	Bend	trans	-161.6	36.2	174.2	-119.8	133.9	0	0	0	114.5
11	F	33.9	Very low	43.6	Very low	206 Å²	206	135.1 Å²	135.1	90%	0.904	78%	0.782	S	S	*	*	S	Bend	trans	-150.9	64	170.8	-98.4	-81.2	0	0	0	111.5
12	A	34.6	Very low	46.6	Very low	99 Å²	99	124.8 Å²	124.8	82%	0.818	74%	0.735	S	S	*	*	S	Bend	trans	-150	35.6	167.9	0	0	0	0	0	112.3
13	L	38.2	Very low	49.6	Very low	170 Å²	170	122.5 Å²	122.5	89%	0.89	71%	0.708	S	S	*	*	S	Bend	trans	-139.4	28.9	-179	-123.6	131.5	0	0	0	113.8
14	I	38.6	Very low	52.8	Low	145 Å²	145	114.4 Å²	114.4	74%	0.744	67%	0.666	S	S	*	*	S	Bend	trans	-140.2	75.9	174	-50.8	176.3	0	0	0	107.1
15	L	36.1	Very low	56	Low	178 Å²	178	108.5 Å²	108.5	93%	0.932	65%	0.645	S	S	*	*			trans	179.2	26.8	160.2	-97.6	152.8	0	0	0	113.9
16	S	41.2	Very low	59.1	Low	98 Å²	98	107.9 Å²	107.9	69%	0.685	63%	0.629	S	S	*	*			trans	-93.2	93.4	152.3	63.2	0	0	0	0	106.6	K18	S16-K18 VanDerWaalsContact C-N 3.32Å; S16-K18 PolarHBondContact O-N 3.1Å
17	G	42.8	Very low	62.2	Low	68 Å²	68	102.5 Å²	102.5	70%	0.701	59%	0.592	S	S	*	*			trans	-51.9	107.4	160	0	0	0	0	0	106	C19	G17-C19 PolarHBondContact O-N 3.06Å
18	K	58	Low	65.4	Low	186 Å²	186	98.8 Å²	98.8	81%	0.809	57%	0.566	S	S	*	*			trans	-62.8	101.7	-173	-76.9	-177.4	176.7	179.7	0	106.5	S16 S20	S16-K18 VanDerWaalsContact C-N 3.32Å; S16-K18 PolarHBondContact O-N 3.1Å; K18-S20 PolarHBondContact O-N 2.76Å; K18-S20 VanDerWaalsContact O-N 3.09Å
19	C	79.3	Confident	68.6	Low	96 Å²	96	93.6 Å²	93.6	65%	0.649	53%	0.534	S	S	*	.			trans	-62.4	117.7	173.1	-64.2	0	0	0	0	107.2	G17 Q161	G17-C19 PolarHBondContact O-N 3.06Å; C19-Q161 VanDerWaalsContact C-CG 3.47Å; C19-Q161 HydrophobicContact CB-CB 4.11Å; C19-Q161 HydrophobicContact CB-CG 3.34Å; C19-Q161 WeakPolarHBondContact O-CB 3.07Å; C19-Q161 VanDerWaalsContact O-CG 3.26Å; C19-Q161 WeakPolarHBondContact O-CG 3.38Å; C19-Q161 PolarHBondContact O-N 3.05Å
20	S	90.9	Very high	71.4	Confident	50 Å²	50	94.4 Å²	94.4	35%	0.35	53%	0.525	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	162.8	173.2	48.3	0	0	0	0	108.6	K18 Q158 L159	K18-S20 PolarHBondContact O-N 2.76Å; K18-S20 VanDerWaalsContact O-N 3.09Å; S20-Q158 VanDerWaalsContact CB-OE1 3.24Å; S20-Q158 PolarHBondContact OG-OE1 2.82Å; S20-L159 CarbonylContact C-O 3.58Å; S20-L159 VanDerWaalsContact CA-O 3.24Å; S20-L159 WeakPolarHBondContact CA-O 3.31Å; S20-L159 WeakPolarHBondContact CB-O 3.47Å
21	Y	96.3	Very high	74.4	Confident	47 Å²	47	90.4 Å²	90.4	18%	0.184	50%	0.504	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	153.3	175.8	68.3	-72.1	0	0	0	110.2	P23 Q158 L159 A164	Y21-P23 HydrophobicContact CD2-CB 4.44Å; Y21-P23 HydrophobicContact CE2-CB 3.81Å; Y21-P23 WeakPolarHBondContact O-CD 3.41Å; Y21-Q158 CarbonylContact O-C 3.55Å; Y21-Q158 VanDerWaalsContact O-CA 3.24Å; Y21-Q158 WeakPolarHBondContact O-CA 3.25Å; Y21-L159 HydrophobicContact CD1-CB 4.47Å; Y21-L159 WeakPolarHBondContact CD1-O 3.44Å; Y21-L159 HydrophobicContact CE1-CB 3.8Å; Y21-L159 PolarHBondContact N-O 2.84Å; Y21-L159 PolarHBondContact O-N 3.39Å; Y21-A164 HydrophobicContact CD1-CB 4.36Å; Y21-A164 HydrophobicContact CE1-CB 3.69Å; Y21-A164 VanDerWaalsContact OH-CA 3.24Å; Y21-A164 WeakPolarHBondContact OH-CA 3.44Å; Y21-A164 PolarHBondContact OH-N 3.08Å
22	S	97.5	Very high	77.3	Confident	37 Å²	37	82.7 Å²	82.7	26%	0.259	47%	0.474	S	S	.	.			trans	-85.4	119.2	165.3	179.4	0	0	0	0	108.1	E24 P25 Y157	S22-E24 PolarHBondContact O-N 3.27Å; S22-E24 PolarHBondContact OG-N 3.1Å; S22-P25 WeakPolarHBondContact O-CD 3.49Å; S22-Y157 PolarHBondContact OG-O 2.85Å
23	P	97.5	Very high	80	Confident	17 Å²	17	83.9 Å²	83.9	11%	0.11	47%	0.474	C	S	.	.	S	Bend	trans	-70.9	-19.1	173.9	29	-35.6	0	0	0	112.8	Y21 P25 Y157 L159 D168	Y21-P23 HydrophobicContact CD2-CB 4.44Å; Y21-P23 HydrophobicContact CE2-CB 3.81Å; Y21-P23 WeakPolarHBondContact O-CD 3.41Å; P23-P25 VanDerWaalsContact C-CD 3.48Å; P23-Y157 HydrophobicContact CG-CD2 4.32Å; P23-Y157 HydrophobicContact CG-CE1 4.27Å; P23-Y157 HydrophobicContact CG-CE2 3.41Å; P23-Y157 VanDerWaalsContact CG-CE2 3.41Å; P23-Y157 VanDerWaalsContact CG-OH 3.25Å; P23-Y157 WeakPolarHBondContact CG-OH 3.12Å; P23-L159 HydrophobicContact CB-CD1 4.32Å; P23-L159 HydrophobicContact CG-CD1 3.9Å; P23-L159 HydrophobicContact CG-CG 4.22Å; P23-D168 WeakPolarHBondContact CB-O 3.49Å
24	E	98.3	Very high	82.6	Confident	0 Å²	0	78.6 Å²	78.6	0%	0	46%	0.46	C	S	.	.			trans	-133.9	55	-172.8	-60.3	-173.4	91	0	0	111.8	S22 D26 Q27 R29 Y157 F169 R175 S333 A335	S22-E24 PolarHBondContact O-N 3.27Å; S22-E24 PolarHBondContact OG-N 3.1Å; E24-D26 PolarHBondContact O-N 2.99Å; E24-Q27 HydrophobicContact CB-CB 3.92Å; E24-Q27 PolarHBondContact O-N 3.23Å; E24-R29 PolarHBondContact O-NH1 3.09Å; E24-Y157 HydrophobicContact CB-CE1 4.49Å; E24-Y157 VanDerWaalsContact OE2-CE1 3.23Å; E24-Y157 WeakPolarHBondContact OE2-CE1 3.44Å; E24-Y157 PolarHBondContact OE2-OH 2.94Å; E24-F169 HydrophobicContact CG-CB 4Å; E24-R175 IonicContact OE1-CZ 3.51Å; E24-R175 IonicContact OE1-NH1 2.78Å; E24-R175 PolarHBondContact OE1-NH1 2.94Å; E24-R175 IonicContact OE1-NH2 3.49Å; E24-S333 PolarHBondContact OE1-OG 3.29Å; E24-A335 HydrophobicContact CG-CB 4.33Å
25	P	97.9	Very high	85.4	Confident	80 Å²	80	72.4 Å²	72.4	52%	0.519	43%	0.428	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-32.8	-178.7	28.2	-33.9	0	0	0	112	S22 P23 R29	S22-P25 WeakPolarHBondContact O-CD 3.49Å; P23-P25 VanDerWaalsContact C-CD 3.48Å; P25-R29 PolarHBondContact O-NH1 3.14Å; P25-R29 PolarHBondContact O-NH2 3.44Å
26	D	97.8	Very high	88.3	Confident	76 Å²	76	68 Å²	68	41%	0.406	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-12.1	-176	57.2	-21.2	0	0	0	114.5	E24 R28 S333 S334	E24-D26 PolarHBondContact O-N 2.99Å; D26-R28 PolarHBondContact O-N 3.33Å; D26-S333 WeakPolarHBondContact OD1-CA 3.36Å; D26-S333 VanDerWaalsContact OD1-CB 3.23Å; D26-S333 WeakPolarHBondContact OD1-CB 3.45Å; D26-S334 WeakPolarHBondContact OD2-CB 3.37Å; D26-S334 PolarHBondContact OD2-N 2.93Å
27	Q	98.1	Very high	91	Very high	6 Å²	6	65.9 Å²	65.9	3%	0.028	39%	0.393	C	S	.	.	S	Bend	trans	-59.4	125.4	171.9	177.5	57.1	58.6	0	0	110	E24 R29 H174 S331 S333	E24-Q27 HydrophobicContact CB-CB 3.92Å; E24-Q27 PolarHBondContact O-N 3.23Å; Q27-R29 PolarHBondContact O-N 3.26Å; Q27-R29 PolarHBondContact O-NH1 3.16Å; Q27-H174 HydrophobicContact CG-CB 3.65Å; Q27-S331 PolarHBondContact NE2-O 3.15Å; Q27-S333 VanDerWaalsContact OE1-N 3.16Å
28	R	96.6	Very high	93.6	Very high	100 Å²	100	67.4 Å²	67.4	38%	0.377	39%	0.385	S	S	.	.			trans	-63.4	132.1	172.5	-174.6	178.4	-68	-93.6	4.5	109.7	D26 T30 D330 S331	D26-R28 PolarHBondContact O-N 3.33Å; R28-T30 WeakPolarHBondContact CD-OG1 3.29Å; R28-T30 HydrophobicContact CG-CG2 4.44Å; R28-T30 VanDerWaalsContact CG-OG1 3.23Å; R28-T30 WeakPolarHBondContact CG-OG1 3.4Å; R28-D330 IonicContact CZ-OD2 3.67Å; R28-D330 IonicContact NE-OD2 3.22Å; R28-D330 IonicContact NH2-OD2 3.39Å; R28-D330 PolarHBondContact NH2-OD2 3.23Å; R28-S331 VanDerWaalsContact CB-O 3.3Å; R28-S331 WeakPolarHBondContact CB-O 3.37Å; R28-S331 PolarHBondContact N-O 2.94Å
29	R	96.9	Very high	95.5	Very high	76 Å²	76	59.9 Å²	59.9	29%	0.287	36%	0.36	S	S	.	.			trans	-122.3	8.2	-178.6	-65.6	169.7	-65.3	-86	-3.9	112.9	E24 P25 Q27 H174	E24-R29 PolarHBondContact O-NH1 3.09Å; P25-R29 PolarHBondContact O-NH1 3.14Å; P25-R29 PolarHBondContact O-NH2 3.44Å; Q27-R29 PolarHBondContact O-N 3.26Å; Q27-R29 PolarHBondContact O-NH1 3.16Å; R29-H174 HydrophobicContact CG-CB 4.27Å
30	T	95.5	Very high	96.4	Very high	85 Å²	85	60.3 Å²	60.3	52%	0.521	35%	0.348	S	S	.	.	S	Bend	trans	-69.7	138	177.6	53.3	0	0	0	0	109.7	R28 P32	R28-T30 WeakPolarHBondContact CD-OG1 3.29Å; R28-T30 HydrophobicContact CG-CG2 4.44Å; R28-T30 VanDerWaalsContact CG-OG1 3.23Å; R28-T30 WeakPolarHBondContact CG-OG1 3.4Å; T30-P32 WeakPolarHBondContact O-CD 3.37Å
31	L	95.9	Very high	96.8	Very high	79 Å²	79	58 Å²	58	41%	0.414	33%	0.331	S	S	.	.	P	Polyproline II helix	trans	-60.5	121.8	174.1	-172.6	62	0	0	0	109.7	W35 Y141 F176	L31-W35 HydrophobicContact CD1-CB 3.59Å; L31-W35 WeakPolarHBondContact CD2-O 3.49Å; L31-W35 HydrophobicContact CG-CB 4.04Å; L31-Y141 HydrophobicContact CD1-CD1 3.51Å; L31-Y141 HydrophobicContact CD1-CE1 3.69Å; L31-F176 HydrophobicContact CD1-CE1 4.13Å; L31-F176 HydrophobicContact CD1-CZ 3.86Å
32	P	94.4	Very high	96.9	Very high	43 Å²	43	59.7 Å²	59.7	28%	0.279	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-67.9	158.2	-179.7	-19	31.9	0	0	0	112.4	T30 W35 F176	T30-P32 WeakPolarHBondContact O-CD 3.37Å; P32-W35 PolarHBondContact O-N 2.93Å; P32-F176 HydrophobicContact CG-CB 3.91Å; P32-F176 HydrophobicContact CG-CD2 3.89Å; P32-F176 HydrophobicContact CG-CG 3.86Å
33	P	92.3	Very high	96.9	Very high	125 Å²	125	60.7 Å²	60.7	81%	0.812	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	140.5	172.7	-24.1	34.5	0	0	0	112.2	W35	P33-W35 VanDerWaalsContact C-N 3.27Å; P33-W35 PolarHBondContact O-N 3.15Å
34	G	93.1	Very high	96.9	Very high	58 Å²	58	65.4 Å²	65.4	60%	0.598	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.9	4.1	179.4	0	0	0	0	0	115.3	G143 G144	G34-G143 WeakPolarHBondContact O-CA 3.47Å; G34-G144 PolarHBondContact O-N 2.85Å
35	W	96.3	Very high	96.9	Very high	15 Å²	15	68.8 Å²	68.8	6%	0.057	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	148.5	172.1	-72.3	78.1	0	0	0	112	L31 P32 P33 V142 T148 V150 F176 P177 T179	L31-W35 HydrophobicContact CD1-CB 3.59Å; L31-W35 WeakPolarHBondContact CD2-O 3.49Å; L31-W35 HydrophobicContact CG-CB 4.04Å; P32-W35 PolarHBondContact O-N 2.93Å; P33-W35 VanDerWaalsContact C-N 3.27Å; P33-W35 PolarHBondContact O-N 3.15Å; W35-V142 CarbonylContact C-O 3.58Å; W35-V142 WeakPolarHBondContact CA-O 3.11Å; W35-T148 HydrophobicContact CH2-CG2 4.03Å; W35-T148 VanDerWaalsContact CZ3-O 3.29Å; W35-T148 WeakPolarHBondContact CZ3-O 3.28Å; W35-V150 HydrophobicContact CE3-CG2 4.36Å; W35-V150 HydrophobicContact CH2-CG1 4.08Å; W35-V150 HydrophobicContact CH2-CG2 4.01Å; W35-V150 HydrophobicContact CZ3-CG1 4.38Å; W35-V150 HydrophobicContact CZ3-CG2 3.58Å; W35-F176 AromaticContact CD2-CD1 3.46Å; W35-F176 HydrophobicContact CD2-CD1 3.46Å; W35-F176 VanDerWaalsContact CD2-CD1 3.46Å; W35-F176 AromaticContact CD2-CE1 3.88Å; W35-F176 HydrophobicContact CD2-CE1 3.88Å; W35-F176 HydrophobicContact CD2-CG 4.44Å; W35-F176 AromaticContact CE2-CD1 3.69Å; W35-F176 AromaticContact CE3-CD1 3.48Å; W35-F176 HydrophobicContact CE3-CD1 3.48Å; W35-F176 VanDerWaalsContact CE3-CD1 3.48Å; W35-F176 AromaticContact CE3-CE1 3.61Å; W35-F176 HydrophobicContact CE3-CE1 3.61Å; W35-F176 HydrophobicContact CG-CD1 4.11Å; W35-F176 HydrophobicContact CG-CE1 4.39Å; W35-F176 AromaticContact CH2-CD1 3.94Å; W35-F176 HydrophobicContact CH2-CD1 3.94Å; W35-F176 HydrophobicContact CZ2-CB 4.27Å; W35-F176 AromaticContact CZ2-CD1 3.92Å; W35-F176 HydrophobicContact CZ2-CD1 3.92Å; W35-F176 AromaticContact CZ3-CD1 3.75Å; W35-F176 HydrophobicContact CZ3-CD1 3.75Å; W35-F176 HydrophobicContact CZ3-CE1 4.07Å; W35-P177 HydrophobicContact CH2-CG 3.78Å; W35-P177 HydrophobicContact CZ2-CG 3.86Å; W35-T179 HydrophobicContact CZ2-CG2 3.71Å
36	V	97.8	Very high	96.8	Very high	86 Å²	86	69.7 Å²	69.7	52%	0.521	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	137.7	179.6	-177.7	0	0	0	0	109.4	Y141 V142	V36-Y141 VanDerWaalsContact O-CA 3.26Å; V36-Y141 WeakPolarHBondContact O-CA 3.34Å; V36-V142 HydrophobicContact CB-CG1 4.45Å; V36-V142 PolarHBondContact N-O 3.49Å; V36-V142 PolarHBondContact O-N 2.68Å
37	S	97.8	Very high	96.8	Very high	54 Å²	54	66.4 Å²	66.4	38%	0.378	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	124.7	169.2	-175.9	0	0	0	0	109.9
38	L	97.9	Very high	96.7	Very high	100 Å²	100	66.5 Å²	66.5	52%	0.524	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	-18.4	177.3	-63.5	-178.9	0	0	0	112.6	H140 V142	L38-H140 HydrophobicContact CB-CB 3.96Å; L38-H140 PolarHBondContact N-O 2.85Å; L38-V142 HydrophobicContact CD1-CB 3.99Å; L38-V142 HydrophobicContact CD1-CG1 4.01Å; L38-V142 HydrophobicContact CD2-CG1 3.72Å; L38-V142 HydrophobicContact CG-CB 4.36Å; L38-V142 HydrophobicContact CG-CG1 3.94Å
39	G	97.5	Very high	96.8	Very high	27 Å²	27	61.7 Å²	61.7	28%	0.278	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	132.7	-177.3	177.4	0	0	0	0	0	113.4	H139 H140	G39-H139 CarbonylContact O-C 3.41Å; G39-H139 VanDerWaalsContact O-CA 3.26Å; G39-H139 WeakPolarHBondContact O-CA 3.34Å; G39-H139 WeakPolarHBondContact O-CB 3.42Å; G39-H140 PolarHBondContact O-N 2.81Å
40	R	98.4	Very high	96.8	Very high	105 Å²	105	58.4 Å²	58.4	40%	0.396	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	133.5	-177.7	-169.8	67.8	170.8	88	6.2	110.9	E130 F138	R40-E130 IonicContact CZ-OE1 3.89Å; R40-E130 IonicContact CZ-OE2 3.9Å; R40-E130 IonicContact NH1-OE1 3.35Å; R40-E130 PolarHBondContact NH1-OE1 3.48Å; R40-E130 IonicContact NH1-OE2 3.89Å; R40-E130 IonicContact NH2-OE1 2.99Å; R40-E130 PolarHBondContact NH2-OE1 3.4Å; R40-E130 IonicContact NH2-OE2 2.95Å; R40-E130 PolarHBondContact NH2-OE2 2.98Å; R40-F138 WeakPolarHBondContact CD-O 3.32Å; R40-F138 PolarHBondContact NH1-O 2.82Å
41	A	98.1	Very high	97	Very high	1 Å²	1	54.3 Å²	54.3	1%	0.008	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-68.1	140.7	171.6	0	0	0	0	0	110.9	I126 F138 V151	A41-I126 HydrophobicContact CB-CD1 3.8Å; A41-I126 HydrophobicContact CB-CG1 3.92Å; A41-I126 HydrophobicContact CB-CG2 4.41Å; A41-F138 HydrophobicContact CB-CB 4.18Å; A41-F138 PolarHBondContact N-O 2.71Å; A41-V151 HydrophobicContact CB-CG2 3.97Å
42	D	98.4	Very high	97.1	Very high	84 Å²	84	50.6 Å²	50.6	45%	0.449	29%	0.292	S	S	.	.	P	Polyproline II helix	trans	-65.9	137.2	179.7	-171.5	-69.3	0	0	0	110.7	E44 E45 I126	D42-E44 PolarHBondContact O-N 3.03Å; D42-E44 PolarHBondContact OD1-N 3.12Å; D42-E45 HydrophobicContact CB-CB 4.49Å; D42-E45 HydrophobicContact CB-CG 3.86Å; D42-E45 WeakPolarHBondContact CB-OE1 3.39Å; D42-E45 PolarHBondContact N-OE1 3.32Å; D42-E45 WeakPolarHBondContact O-CB 3.49Å; D42-E45 PolarHBondContact O-N 3.32Å; D42-I126 WeakPolarHBondContact O-CB 3.32Å; D42-I126 WeakPolarHBondContact O-CG1 3.49Å
43	P	98.1	Very high	97.3	Very high	57 Å²	57	48.7 Å²	48.7	37%	0.37	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-25.9	-180	-27.8	35.9	0	0	0	115.7	I126 R127	P43-I126 PolarHBondContact O-N 3.41Å; P43-R127 HydrophobicContact CB-CB 4.12Å; P43-R127 VanDerWaalsContact O-CB 3.31Å; P43-R127 WeakPolarHBondContact O-CB 3.35Å; P43-R127 PolarHBondContact O-N 3.38Å
44	E	97.9	Very high	97.6	Very high	116 Å²	116	46.9 Å²	46.9	54%	0.542	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.2	-3.4	-179.3	-53.2	-55.9	131.9	0	0	113.1	D42 R127	D42-E44 PolarHBondContact O-N 3.03Å; D42-E44 PolarHBondContact OD1-N 3.12Å; E44-R127 IonicContact OE1-CZ 3.22Å; E44-R127 VanDerWaalsContact OE1-CZ 3.28Å; E44-R127 IonicContact OE1-NE 2.68Å; E44-R127 PolarHBondContact OE1-NE 2.86Å; E44-R127 IonicContact OE1-NH2 2.79Å; E44-R127 PolarHBondContact OE1-NH2 3.18Å
45	E	97.5	Very high	97.9	Very high	71 Å²	71	44.7 Å²	44.7	33%	0.332	23%	0.231	S	C	.	.			trans	-64	144.5	169.4	-81.7	169.4	-131.6	0	0	110.6	D42 S125 I126 H140	D42-E45 HydrophobicContact CB-CB 4.49Å; D42-E45 HydrophobicContact CB-CG 3.86Å; D42-E45 WeakPolarHBondContact CB-OE1 3.39Å; D42-E45 PolarHBondContact N-OE1 3.32Å; D42-E45 WeakPolarHBondContact O-CB 3.49Å; D42-E45 PolarHBondContact O-N 3.32Å; E45-S125 CarbonylContact O-C 3.59Å; E45-S125 WeakPolarHBondContact O-CA 3.49Å; E45-I126 HydrophobicContact CB-CG1 4Å; E45-I126 PolarHBondContact O-N 3.17Å; E45-H140 IonicContact OE1-NE2 3.43Å; E45-H140 PolarHBondContact OE1-NE2 3.4Å; E45-H140 IonicContact OE2-CE1 3.37Å; E45-H140 PolarHBondContact OE2-CE1 2.97Å; E45-H140 IonicContact OE2-NE2 2.67Å; E45-H140 PolarHBondContact OE2-NE2 3.16Å
46	E	96.8	Very high	98	Very high	100 Å²	100	47.8 Å²	47.8	47%	0.467	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	132.9	179.3	-71.2	-73.8	140.2	0	0	110.1	W123 L124	E46-W123 HydrophobicContact CB-CE3 3.94Å; E46-W123 HydrophobicContact CB-CZ3 4.18Å; E46-L124 WeakPolarHBondContact CA-O 3.5Å
47	L	96.4	Very high	98.1	Very high	6 Å²	6	48 Å²	48	3%	0.031	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	150.5	171.1	78.5	171.2	0	0	0	111.7	L49 W123 L124 I126 A129 F138 V151	L47-L49 HydrophobicContact CD1-CD2 3.85Å; L47-L49 HydrophobicContact CD1-CG 4.24Å; L47-L49 HydrophobicContact CG-CD2 4.25Å; L47-L49 HydrophobicContact CG-CG 4.19Å; L47-W123 WeakPolarHBondContact O-CA 3.45Å; L47-L124 VanDerWaalsContact CD2-O 3.3Å; L47-L124 WeakPolarHBondContact CD2-O 3.48Å; L47-L124 PolarHBondContact N-O 3.1Å; L47-L124 PolarHBondContact O-N 2.88Å; L47-I126 HydrophobicContact CB-CD1 4.46Å; L47-I126 HydrophobicContact CD1-CD1 3.8Å; L47-I126 HydrophobicContact CD2-CD1 3.66Å; L47-I126 HydrophobicContact CD2-CG1 4.22Å; L47-I126 HydrophobicContact CG-CD1 4.17Å; L47-A129 HydrophobicContact CD2-CB 3.85Å; L47-F138 HydrophobicContact CD1-CD1 3.87Å; L47-F138 HydrophobicContact CD1-CD2 4.33Å; L47-F138 HydrophobicContact CD1-CE1 3.65Å; L47-F138 HydrophobicContact CD1-CE2 4.14Å; L47-F138 HydrophobicContact CD1-CG 4.21Å; L47-F138 HydrophobicContact CD1-CZ 3.8Å; L47-V151 HydrophobicContact CB-CG1 4.21Å; L47-V151 HydrophobicContact CD1-CG1 4.02Å
48	S	97.1	Very high	98.1	Very high	8 Å²	8	48.2 Å²	48.2	6%	0.056	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	117.6	177.1	177.1	0	0	0	0	109.6	T121 C122 G300	S48-T121 WeakPolarHBondContact OG-CG2 3.5Å; S48-C122 WeakPolarHBondContact CA-O 3.3Å; S48-G300 CarbonylContact O-C 3.51Å
49	L	98.1	Very high	98.1	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	143	177.4	-63.2	-179.2	0	0	0	111	L47 F51 T121 C122 L124 A129 L133 F138 V170 L173	L47-L49 HydrophobicContact CD1-CD2 3.85Å; L47-L49 HydrophobicContact CD1-CG 4.24Å; L47-L49 HydrophobicContact CG-CD2 4.25Å; L47-L49 HydrophobicContact CG-CG 4.19Å; L49-F51 HydrophobicContact CB-CE2 3.97Å; L49-F51 HydrophobicContact CB-CZ 4.09Å; L49-T121 VanDerWaalsContact O-CA 3.31Å; L49-T121 WeakPolarHBondContact O-CA 3.24Å; L49-C122 PolarHBondContact N-O 2.84Å; L49-C122 PolarHBondContact O-N 2.91Å; L49-L124 HydrophobicContact CD1-CD1 4.23Å; L49-A129 HydrophobicContact CD1-CB 4.04Å; L49-L133 HydrophobicContact CD1-CD1 3.95Å; L49-F138 HydrophobicContact CD1-CZ 4.32Å; L49-F138 HydrophobicContact CD2-CZ 4.41Å; L49-V170 HydrophobicContact CB-CG1 4.03Å; L49-V170 HydrophobicContact CD1-CG1 4.26Å; L49-L173 HydrophobicContact CD1-CD2 4.27Å; L49-L173 HydrophobicContact CD2-CD2 3.81Å
50	T	98.4	Very high	98.1	Very high	6 Å²	6	55.3 Å²	55.3	4%	0.037	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	120.7	179.7	-71.2	0	0	0	0	110.2	F119 T121 V170 G171 L305 M309	T50-F119 HydrophobicContact CG2-CD1 3.87Å; T50-T121 PolarHBondContact OG1-OG1 2.96Å; T50-V170 CarbonylContact O-C 3.58Å; T50-V170 WeakPolarHBondContact O-CA 3.2Å; T50-G171 PolarHBondContact N-O 3.15Å; T50-G171 PolarHBondContact O-N 2.86Å; T50-L305 HydrophobicContact CG2-CD2 4.02Å; T50-M309 HydrophobicContact CG2-CE 3.89Å; T50-M309 HydrophobicContact CG2-SD 3.35Å; T50-M309 WeakPolarHBondContact CG2-SD 3.31Å
51	F	98.6	Very high	98.2	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	115.1	178.4	-59.5	-90.6	0	0	0	109.7	L49 L53 W102 L103 F119 L120 C122 L124 L132 V170	L49-F51 HydrophobicContact CB-CE2 3.97Å; L49-F51 HydrophobicContact CB-CZ 4.09Å; F51-L53 HydrophobicContact CB-CD2 4.07Å; F51-L53 PolarHBondContact O-N 3.4Å; F51-W102 HydrophobicContact CD1-CH2 4.06Å; F51-W102 AromaticContact CD1-CZ3 3.71Å; F51-W102 HydrophobicContact CD1-CZ3 3.71Å; F51-W102 AromaticContact CE1-CH2 3.69Å; F51-W102 HydrophobicContact CE1-CH2 3.69Å; F51-W102 AromaticContact CE1-CZ3 3.67Å; F51-W102 HydrophobicContact CE1-CZ3 3.67Å; F51-L103 HydrophobicContact CD1-CD2 4.17Å; F51-L103 HydrophobicContact CD2-CD1 3.98Å; F51-L103 HydrophobicContact CD2-CD2 4.07Å; F51-L103 HydrophobicContact CE1-CD2 3.72Å; F51-L103 HydrophobicContact CE2-CD1 4.24Å; F51-L103 HydrophobicContact CE2-CD2 3.62Å; F51-L103 HydrophobicContact CG-CD1 4.31Å; F51-L103 HydrophobicContact CG-CD2 4.35Å; F51-L103 HydrophobicContact CZ-CD2 3.43Å; F51-L103 VanDerWaalsContact CZ-CD2 3.43Å; F51-F119 WeakPolarHBondContact O-CA 3.47Å; F51-L120 WeakPolarHBondContact CB-O 3.37Å; F51-L120 WeakPolarHBondContact CD2-O 3.45Å; F51-L120 PolarHBondContact N-O 3.44Å; F51-L120 PolarHBondContact O-N 3.22Å; F51-L120 VanDerWaalsContact O-N 3.08Å; F51-C122 HydrophobicContact CE2-CB 4.43Å; F51-L124 HydrophobicContact CZ-CD1 4.19Å; F51-L132 HydrophobicContact CE1-CD2 4.1Å; F51-L132 HydrophobicContact CZ-CD2 3.8Å; F51-V170 HydrophobicContact CD1-CB 4.41Å; F51-V170 HydrophobicContact CD1-CG1 3.96Å; F51-V170 HydrophobicContact CD1-CG2 3.68Å; F51-V170 HydrophobicContact CE1-CB 4.41Å; F51-V170 HydrophobicContact CE1-CG1 3.71Å; F51-V170 HydrophobicContact CE1-CG2 3.75Å; F51-V170 HydrophobicContact CZ-CG1 4.12Å
52	A	98.7	Very high	98.2	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	107.1	175.6	0	0	0	0	0	108.9	F119 V167 D168 F169	A52-F119 HydrophobicContact CB-CD1 4.14Å; A52-F119 HydrophobicContact CB-CE1 3.81Å; A52-V167 WeakPolarHBondContact O-CA 3.07Å; A52-D168 HydrophobicContact CB-CB 4.16Å; A52-D168 PolarHBondContact O-N 3.08Å; A52-F169 HydrophobicContact CB-CD1 3.75Å; A52-F169 HydrophobicContact CB-CD2 4.35Å; A52-F169 HydrophobicContact CB-CE1 3.6Å; A52-F169 HydrophobicContact CB-CE2 4.19Å; A52-F169 HydrophobicContact CB-CG 4.13Å; A52-F169 HydrophobicContact CB-CZ 3.81Å; A52-F169 PolarHBondContact N-O 2.91Å
53	L	98.8	Very high	98.2	Very high	3 Å²	3	52.6 Å²	52.6	2%	0.016	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	146.9	-174.9	-48	-169.9	0	0	0	110.9	F51 Q55 P91 T95 L96 V99 D118 L120 H166 R339	F51-L53 HydrophobicContact CB-CD2 4.07Å; F51-L53 PolarHBondContact O-N 3.4Å; L53-Q55 PolarHBondContact O-N 3.49Å; L53-P91 HydrophobicContact CB-CB 4.37Å; L53-P91 HydrophobicContact CB-CG 3.68Å; L53-P91 HydrophobicContact CD1-CG 4.29Å; L53-T95 HydrophobicContact CB-CG2 4.26Å; L53-L96 HydrophobicContact CD1-CD2 3.82Å; L53-V99 HydrophobicContact CD2-CB 4.27Å; L53-V99 HydrophobicContact CD2-CG1 3.73Å; L53-V99 HydrophobicContact CD2-CG2 4.16Å; L53-D118 WeakPolarHBondContact CB-O 3.29Å; L53-D118 PolarHBondContact N-O 3.29Å; L53-L120 HydrophobicContact CD1-CB 4.31Å; L53-H166 WeakPolarHBondContact CA-O 3.06Å; L53-R339 PolarHBondContact O-NH1 3.06Å
54	R	98.8	Very high	98.2	Very high	88 Å²	88	51.6 Å²	51.6	33%	0.332	24%	0.243	S	C	.	.			trans	-61.7	115.9	-180	-177.8	61.4	51.5	66.8	11.8	111.2	P91 A164 P165 H166 D168	R54-P91 WeakPolarHBondContact O-CA 3.5Å; R54-P91 VanDerWaalsContact O-CB 3.27Å; R54-P91 WeakPolarHBondContact O-CB 3.31Å; R54-A164 PolarHBondContact NH1-O 2.66Å; R54-A164 PolarHBondContact NH2-O 3.28Å; R54-P165 VanDerWaalsContact CB-O 3.3Å; R54-P165 WeakPolarHBondContact CB-O 3.48Å; R54-P165 WeakPolarHBondContact CG-O 3.21Å; R54-H166 PolarHBondContact N-O 3.19Å; R54-D168 IonicContact CZ-OD1 3.92Å; R54-D168 IonicContact NE-OD1 3.2Å; R54-D168 PolarHBondContact NE-OD1 3.2Å; R54-D168 IonicContact NH2-OD1 3.54Å; R54-D168 PolarHBondContact NH2-OD1 3.4Å
55	Q	98.8	Very high	98.2	Very high	12 Å²	12	46.1 Å²	46.1	6%	0.056	22%	0.218	C	C	.	.			trans	-76.6	164.6	176.4	-68.9	164.3	-54.8	0	0	112.5	L53 L58 V89 D118 R339 E343	L53-Q55 PolarHBondContact O-N 3.49Å; Q55-L58 HydrophobicContact CB-CD2 3.69Å; Q55-L58 HydrophobicContact CB-CG 4.34Å; Q55-V89 VanDerWaalsContact CA-O 3.32Å; Q55-V89 WeakPolarHBondContact CA-O 3.37Å; Q55-V89 HydrophobicContact CB-CB 4.5Å; Q55-V89 WeakPolarHBondContact CB-O 3.34Å; Q55-D118 HydrophobicContact CG-CB 3.65Å; Q55-D118 PolarHBondContact NE2-OD2 2.93Å; Q55-R339 VanDerWaalsContact OE1-CD 3.32Å; Q55-E343 PolarHBondContact NE2-OE1 3.17Å
56	Q	98.7	Very high	98.3	Very high	79 Å²	79	46.3 Å²	46.3	37%	0.369	22%	0.219	S	C	.	.	S	Bend	trans	-113.2	163.2	174.4	-59.2	-169.8	-105.7	0	0	111.5	L58 V89 R90	Q56-L58 VanDerWaalsContact C-N 3.29Å; Q56-L58 PolarHBondContact O-N 3.5Å; Q56-L58 VanDerWaalsContact O-N 3.11Å; Q56-V89 PolarHBondContact N-O 3.46Å; Q56-V89 WeakPolarHBondContact O-CA 3.44Å; Q56-R90 WeakPolarHBondContact CG-O 3.29Å; Q56-R90 PolarHBondContact OE1-O 3.06Å
57	N	98.6	Very high	98.4	Very high	91 Å²	91	42.9 Å²	42.9	49%	0.487	21%	0.208	S	C	.	.			trans	55.1	33	167.7	-55.9	99.1	0	0	0	116.3	E59 R60 L61 L88	N57-E59 PolarHBondContact O-N 3.23Å; N57-R60 HydrophobicContact CB-CB 4.31Å; N57-R60 WeakPolarHBondContact O-CB 3.42Å; N57-R60 PolarHBondContact O-N 2.96Å; N57-R60 VanDerWaalsContact O-N 3.16Å; N57-L61 PolarHBondContact O-N 2.86Å; N57-L88 HydrophobicContact CB-CD1 3.65Å; N57-L88 HydrophobicContact CB-CG 4.16Å; N57-L88 WeakPolarHBondContact CB-O 3.44Å; N57-L88 PolarHBondContact OD1-O 3.09Å
58	L	98.4	Very high	98.5	Very high	58 Å²	58	42.7 Å²	42.7	30%	0.304	21%	0.207	S	C	.	.	H	α-helix	trans	-64.1	-35.9	-176.8	-59	-172.2	0	0	0	114	Q55 Q56 R60 L61 S62 V89 T342	Q55-L58 HydrophobicContact CB-CD2 3.69Å; Q55-L58 HydrophobicContact CB-CG 4.34Å; Q56-L58 VanDerWaalsContact C-N 3.29Å; Q56-L58 PolarHBondContact O-N 3.5Å; Q56-L58 VanDerWaalsContact O-N 3.11Å; L58-R60 VanDerWaalsContact C-N 3.34Å; L58-L61 WeakPolarHBondContact O-CB 3.48Å; L58-L61 PolarHBondContact O-N 3.26Å; L58-S62 PolarHBondContact O-N 3.43Å; L58-V89 HydrophobicContact CD2-CG1 4.47Å; L58-T342 HydrophobicContact CD1-CG2 4.25Å; L58-T342 HydrophobicContact CD2-CG2 3.53Å; L58-T342 HydrophobicContact CG-CG2 4.46Å
59	E	97.8	Very high	98.5	Very high	155 Å²	155	42.3 Å²	42.3	72%	0.724	20%	0.204	S	C	*	.	H	α-helix	trans	-61.7	-45	173.6	-175.9	175.3	-163.6	0	0	110.8	N57 L61 S62 E63	N57-E59 PolarHBondContact O-N 3.23Å; E59-L61 VanDerWaalsContact C-N 3.32Å; E59-L61 PolarHBondContact O-N 3.15Å; E59-S62 WeakPolarHBondContact O-CB 3.49Å; E59-S62 PolarHBondContact O-N 3.01Å; E59-S62 VanDerWaalsContact O-N 3.13Å; E59-E63 WeakPolarHBondContact O-CG 3.47Å; E59-E63 PolarHBondContact O-N 2.92Å
60	R	98.6	Very high	98.6	Very high	121 Å²	121	43.9 Å²	43.9	46%	0.457	21%	0.213	S	C	.	.	H	α-helix	trans	-64	-36.6	176.3	-178	56.3	-179.4	167.6	3.6	112.4	N57 L58 E63 L64 L88	N57-R60 HydrophobicContact CB-CB 4.31Å; N57-R60 WeakPolarHBondContact O-CB 3.42Å; N57-R60 PolarHBondContact O-N 2.96Å; N57-R60 VanDerWaalsContact O-N 3.16Å; L58-R60 VanDerWaalsContact C-N 3.34Å; R60-E63 WeakPolarHBondContact CD-OE2 3.36Å; R60-E63 IonicContact CZ-OE2 3.1Å; R60-E63 IonicContact NE-OE2 2.76Å; R60-E63 IonicContact NH1-OE2 3.73Å; R60-E63 PolarHBondContact NH1-OE2 2.96Å; R60-E63 PolarHBondContact O-N 3.29Å; R60-L64 HydrophobicContact CG-CD1 4.27Å; R60-L64 VanDerWaalsContact O-CG 3.31Å; R60-L64 WeakPolarHBondContact O-CG 3.34Å; R60-L64 PolarHBondContact O-N 3.14Å; R60-L88 HydrophobicContact CB-CD1 4.31Å; R60-L88 HydrophobicContact CG-CD1 3.93Å
61	L	98.8	Very high	98.5	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-59.5	-47.8	172.3	175.6	68.3	0	0	0	110.6	N57 L58 E59 E63 L64 V65 L88 V89 T342 M345 K346 A349	N57-L61 PolarHBondContact O-N 2.86Å; L58-L61 WeakPolarHBondContact O-CB 3.48Å; L58-L61 PolarHBondContact O-N 3.26Å; E59-L61 VanDerWaalsContact C-N 3.32Å; E59-L61 PolarHBondContact O-N 3.15Å; L61-E63 PolarHBondContact O-N 2.96Å; L61-L64 PolarHBondContact O-N 3.44Å; L61-V65 HydrophobicContact CD1-CG2 4.4Å; L61-V65 HydrophobicContact CG-CG2 4.48Å; L61-V65 WeakPolarHBondContact O-CG2 3.44Å; L61-V65 PolarHBondContact O-N 3.24Å; L61-L88 HydrophobicContact CB-CD2 3.98Å; L61-L88 HydrophobicContact CD1-CD2 4.09Å; L61-V89 HydrophobicContact CB-CG1 4.44Å; L61-V89 HydrophobicContact CD2-CG1 4.09Å; L61-T342 HydrophobicContact CD2-CG2 4.32Å; L61-M345 HydrophobicContact CD2-CB 3.82Å; L61-M345 HydrophobicContact CG-CB 4.26Å; L61-K346 HydrophobicContact CD2-CG 3.76Å; L61-A349 HydrophobicContact CD1-CB 3.73Å
62	S	98.3	Very high	98.5	Very high	40 Å²	40	50.5 Å²	50.5	28%	0.28	25%	0.248	S	C	.	.	H	α-helix	trans	-60.2	-44.1	178.5	-178.4	0	0	0	0	112.4	L58 E59 L64 V65 Q66 Y384	L58-S62 PolarHBondContact O-N 3.43Å; E59-S62 WeakPolarHBondContact O-CB 3.49Å; E59-S62 PolarHBondContact O-N 3.01Å; E59-S62 VanDerWaalsContact O-N 3.13Å; S62-L64 VanDerWaalsContact C-N 3.33Å; S62-L64 PolarHBondContact O-N 3.4Å; S62-V65 PolarHBondContact O-N 3.18Å; S62-Q66 PolarHBondContact O-N 2.78Å; S62-Y384 PolarHBondContact OG-OH 3.46Å
63	E	98.4	Very high	98.4	Very high	93 Å²	93	51.5 Å²	51.5	44%	0.435	26%	0.256	S	S	.	.	H	α-helix	trans	-58.2	-43.1	174.2	-68.8	173.8	176.7	0	0	112.6	E59 R60 L61 Q66 A67	E59-E63 WeakPolarHBondContact O-CG 3.47Å; E59-E63 PolarHBondContact O-N 2.92Å; R60-E63 WeakPolarHBondContact CD-OE2 3.36Å; R60-E63 IonicContact CZ-OE2 3.1Å; R60-E63 IonicContact NE-OE2 2.76Å; R60-E63 IonicContact NH1-OE2 3.73Å; R60-E63 PolarHBondContact NH1-OE2 2.96Å; R60-E63 PolarHBondContact O-N 3.29Å; L61-E63 PolarHBondContact O-N 2.96Å; E63-Q66 PolarHBondContact O-N 3.37Å; E63-A67 WeakPolarHBondContact O-CB 3.12Å; E63-A67 PolarHBondContact O-N 2.72Å
64	L	98.8	Very high	98.4	Very high	36 Å²	36	56.5 Å²	56.5	19%	0.188	29%	0.288	C	S	.	.	H	α-helix	trans	-66.8	-42.4	178.3	-73.4	169.5	0	0	0	111.1	R60 L61 S62 Q66 A67 V68 L80 L88	R60-L64 HydrophobicContact CG-CD1 4.27Å; R60-L64 VanDerWaalsContact O-CG 3.31Å; R60-L64 WeakPolarHBondContact O-CG 3.34Å; R60-L64 PolarHBondContact O-N 3.14Å; L61-L64 PolarHBondContact O-N 3.44Å; S62-L64 VanDerWaalsContact C-N 3.33Å; S62-L64 PolarHBondContact O-N 3.4Å; L64-Q66 VanDerWaalsContact C-N 3.33Å; L64-Q66 PolarHBondContact O-N 3.28Å; L64-A67 PolarHBondContact O-N 3Å; L64-A67 VanDerWaalsContact O-N 3.17Å; L64-V68 WeakPolarHBondContact O-CG1 3Å; L64-V68 WeakPolarHBondContact O-CG2 3.43Å; L64-V68 PolarHBondContact O-N 3Å; L64-L80 HydrophobicContact CD1-CD2 4.16Å; L64-L88 HydrophobicContact CD1-CD2 3.73Å
65	V	98.8	Very high	98.4	Very high	1 Å²	1	56.6 Å²	56.6	1%	0.006	29%	0.292	C	S	.	.	H	α-helix	trans	-57.1	-48.1	174.6	172.7	0	0	0	0	110.3	L61 S62 A67 V68 S69 M345 A348 A349 Y384 F502	L61-V65 HydrophobicContact CD1-CG2 4.4Å; L61-V65 HydrophobicContact CG-CG2 4.48Å; L61-V65 WeakPolarHBondContact O-CG2 3.44Å; L61-V65 PolarHBondContact O-N 3.24Å; S62-V65 PolarHBondContact O-N 3.18Å; V65-A67 VanDerWaalsContact C-N 3.32Å; V65-A67 PolarHBondContact O-N 3.2Å; V65-V68 PolarHBondContact O-N 2.67Å; V65-S69 VanDerWaalsContact O-CB 3.28Å; V65-S69 WeakPolarHBondContact O-CB 3.28Å; V65-S69 PolarHBondContact O-N 3.04Å; V65-S69 VanDerWaalsContact O-N 3.08Å; V65-S69 PolarHBondContact O-OG 3.38Å; V65-M345 HydrophobicContact CG2-CB 4.34Å; V65-M345 VanDerWaalsContact CG2-O 3.31Å; V65-M345 WeakPolarHBondContact CG2-O 3.2Å; V65-A348 HydrophobicContact CG1-CB 3.76Å; V65-A348 HydrophobicContact CG2-CB 4.27Å; V65-A349 HydrophobicContact CG2-CB 3.76Å; V65-Y384 HydrophobicContact CB-CE1 4.44Å; V65-Y384 HydrophobicContact CG1-CD1 3.9Å; V65-Y384 HydrophobicContact CG1-CE1 3.74Å; V65-F502 HydrophobicContact CG1-CD1 4.06Å
66	Q	98.3	Very high	98.4	Very high	75 Å²	75	57.3 Å²	57.3	35%	0.35	30%	0.295	S	S	.	.	H	α-helix	trans	-56.7	-47.4	176	-179.8	62.4	28.7	0	0	111.1	S62 E63 L64 V68 S69 D70	S62-Q66 PolarHBondContact O-N 2.78Å; E63-Q66 PolarHBondContact O-N 3.37Å; L64-Q66 VanDerWaalsContact C-N 3.33Å; L64-Q66 PolarHBondContact O-N 3.28Å; Q66-V68 PolarHBondContact O-N 2.89Å; Q66-S69 PolarHBondContact O-N 2.9Å; Q66-S69 PolarHBondContact O-OG 2.92Å; Q66-D70 WeakPolarHBondContact O-CB 3.45Å; Q66-D70 PolarHBondContact O-N 3.03Å
67	A	98.6	Very high	98.4	Very high	28 Å²	28	53.9 Å²	53.9	23%	0.231	28%	0.281	C	S	.	.	H	α-helix	trans	-66.3	-36.2	-177.3	0	0	0	0	0	113.8	E63 L64 V65 S73 Q75 Y76	E63-A67 WeakPolarHBondContact O-CB 3.12Å; E63-A67 PolarHBondContact O-N 2.72Å; L64-A67 PolarHBondContact O-N 3Å; L64-A67 VanDerWaalsContact O-N 3.17Å; V65-A67 VanDerWaalsContact C-N 3.32Å; V65-A67 PolarHBondContact O-N 3.2Å; A67-S73 WeakPolarHBondContact O-CB 3.38Å; A67-S73 PolarHBondContact O-OG 3Å; A67-Q75 HydrophobicContact CB-CB 4.05Å; A67-Q75 HydrophobicContact CB-CG 4.4Å; A67-Q75 CarbonylContact O-C 3.4Å; A67-Q75 WeakPolarHBondContact O-CB 3.34Å; A67-Y76 PolarHBondContact O-N 2.7Å
68	V	98.8	Very high	98.4	Very high	3 Å²	3	55.3 Å²	55.3	2%	0.018	28%	0.282	C	S	.	.	H	α-helix	trans	-86.6	-15.1	-178	-57	0	0	0	0	113.5	L64 V65 Q66 Q75 Y76 G77 K78 Y79	L64-V68 WeakPolarHBondContact O-CG1 3Å; L64-V68 WeakPolarHBondContact O-CG2 3.43Å; L64-V68 PolarHBondContact O-N 3Å; V65-V68 PolarHBondContact O-N 2.67Å; Q66-V68 PolarHBondContact O-N 2.89Å; V68-Q75 WeakPolarHBondContact CA-O 3.32Å; V68-Y76 WeakPolarHBondContact O-CD2 3.25Å; V68-G77 PolarHBondContact O-N 3.01Å; V68-K78 VanDerWaalsContact CG1-O 3.29Å; V68-K78 WeakPolarHBondContact CG1-O 3.49Å; V68-Y79 HydrophobicContact CB-CD1 3.99Å; V68-Y79 HydrophobicContact CB-CE1 4.26Å; V68-Y79 HydrophobicContact CG2-CD1 3.86Å; V68-Y79 HydrophobicContact CG2-CE1 4.18Å
69	S	98.6	Very high	98.4	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-103.6	-22.8	-178.3	61.2	0	0	0	0	114	V65 Q66 P71 Y76	V65-S69 VanDerWaalsContact O-CB 3.28Å; V65-S69 WeakPolarHBondContact O-CB 3.28Å; V65-S69 PolarHBondContact O-N 3.04Å; V65-S69 VanDerWaalsContact O-N 3.08Å; V65-S69 PolarHBondContact O-OG 3.38Å; Q66-S69 PolarHBondContact O-N 2.9Å; Q66-S69 PolarHBondContact O-OG 2.92Å; S69-P71 WeakPolarHBondContact O-CD 3.3Å; S69-Y76 WeakPolarHBondContact O-CE2 3.46Å
70	D	98.5	Very high	98.4	Very high	33 Å²	33	48.2 Å²	48.2	18%	0.176	25%	0.247	C	C	.	.			trans	-74	115	174.4	-179.1	-1.4	0	0	0	111.3	Q66 N72 S73 Y76 Q509	Q66-D70 WeakPolarHBondContact O-CB 3.45Å; Q66-D70 PolarHBondContact O-N 3.03Å; D70-N72 PolarHBondContact O-N 3.48Å; D70-N72 PolarHBondContact OD1-N 2.99Å; D70-S73 VanDerWaalsContact O-CB 3.28Å; D70-S73 WeakPolarHBondContact O-CB 3.37Å; D70-S73 PolarHBondContact O-N 3.3Å; D70-Y76 WeakPolarHBondContact O-CB 3.13Å; D70-Y76 WeakPolarHBondContact O-CD2 3.35Å; D70-Q509 PolarHBondContact OD1-NE2 3.49Å; D70-Q509 PolarHBondContact OD1-OE1 3.01Å
71	P	97.3	Very high	98.4	Very high	14 Å²	14	45.9 Å²	45.9	9%	0.091	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-19.8	-178.6	29.8	-37.5	0	0	0	113.9	S69 S73 Y76 R506	S69-P71 WeakPolarHBondContact O-CD 3.3Å; P71-S73 VanDerWaalsContact C-N 3.32Å; P71-Y76 HydrophobicContact CB-CD2 4.33Å; P71-Y76 HydrophobicContact CB-CE2 4.32Å; P71-R506 HydrophobicContact CB-CB 4.5Å; P71-R506 HydrophobicContact CB-CG 4.29Å; P71-R506 HydrophobicContact CG-CB 4Å; P71-R506 HydrophobicContact CG-CG 4.05Å
72	N	97.6	Very high	98.4	Very high	130 Å²	130	46.1 Å²	46.1	70%	0.695	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-10.4	175.1	-66.3	-44.3	0	0	0	113.1	D70 Q509	D70-N72 PolarHBondContact O-N 3.48Å; D70-N72 PolarHBondContact OD1-N 2.99Å; N72-Q509 PolarHBondContact ND2-OE1 2.93Å
73	S	98.3	Very high	98.4	Very high	22 Å²	22	50.5 Å²	50.5	15%	0.154	26%	0.264	C	S	.	.	S	Bend	trans	-79.5	139	179.4	168.9	0	0	0	0	111.3	A67 D70 P71 Q75 Y76	A67-S73 WeakPolarHBondContact O-CB 3.38Å; A67-S73 PolarHBondContact O-OG 3Å; D70-S73 VanDerWaalsContact O-CB 3.28Å; D70-S73 WeakPolarHBondContact O-CB 3.37Å; D70-S73 PolarHBondContact O-N 3.3Å; P71-S73 VanDerWaalsContact C-N 3.32Å; S73-Q75 PolarHBondContact O-N 3.42Å; S73-Q75 PolarHBondContact OG-N 3.17Å; S73-Y76 VanDerWaalsContact O-CB 3.32Å; S73-Y76 WeakPolarHBondContact O-CB 3.27Å; S73-Y76 PolarHBondContact O-N 3.37Å
74	P	98.1	Very high	98.4	Very high	107 Å²	107	50 Å²	50	70%	0.695	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-6.8	172	30.5	-35.8	0	0	0	113.2	K78	P74-K78 WeakPolarHBondContact O-CE 3.4Å; P74-K78 PolarHBondContact O-NZ 3.47Å
75	Q	98.6	Very high	98.4	Very high	91 Å²	91	48.2 Å²	48.2	43%	0.425	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.9	-1.2	173.5	-59.1	-61.9	-38.2	0	0	113.2	A67 V68 S73 G77 K78	A67-Q75 HydrophobicContact CB-CB 4.05Å; A67-Q75 HydrophobicContact CB-CG 4.4Å; A67-Q75 CarbonylContact O-C 3.4Å; A67-Q75 WeakPolarHBondContact O-CB 3.34Å; V68-Q75 WeakPolarHBondContact CA-O 3.32Å; S73-Q75 PolarHBondContact O-N 3.42Å; S73-Q75 PolarHBondContact OG-N 3.17Å; Q75-G77 PolarHBondContact O-N 3.3Å; Q75-K78 VanDerWaalsContact O-CB 3.31Å; Q75-K78 WeakPolarHBondContact O-CB 3.27Å; Q75-K78 PolarHBondContact O-N 2.59Å
76	Y	98.6	Very high	98.4	Very high	26 Å²	26	48.3 Å²	48.3	10%	0.102	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.2	129.3	180	-178	-108.7	0	0	0	112.1	A67 V68 S69 D70 P71 S73 K78 R506 P563	A67-Y76 PolarHBondContact O-N 2.7Å; V68-Y76 WeakPolarHBondContact O-CD2 3.25Å; S69-Y76 WeakPolarHBondContact O-CE2 3.46Å; D70-Y76 WeakPolarHBondContact O-CB 3.13Å; D70-Y76 WeakPolarHBondContact O-CD2 3.35Å; P71-Y76 HydrophobicContact CB-CD2 4.33Å; P71-Y76 HydrophobicContact CB-CE2 4.32Å; S73-Y76 VanDerWaalsContact O-CB 3.32Å; S73-Y76 WeakPolarHBondContact O-CB 3.27Å; S73-Y76 PolarHBondContact O-N 3.37Å; Y76-K78 PolarHBondContact O-N 3.27Å; Y76-R506 WeakPolarHBondContact OH-CD 3.44Å; Y76-R506 PolarHBondContact OH-NH1 2.98Å; Y76-P563 HydrophobicContact CD1-CB 3.64Å; Y76-P563 HydrophobicContact CE1-CB 3.85Å
77	G	98	Very high	98.4	Very high	7 Å²	7	50 Å²	50	7%	0.072	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	74.3	-1	179.7	0	0	0	0	0	115.5	V68 Q75 Y79 P498	V68-G77 PolarHBondContact O-N 3.01Å; Q75-G77 PolarHBondContact O-N 3.3Å; G77-Y79 WeakPolarHBondContact O-CD2 3.32Å; G77-Y79 PolarHBondContact O-N 2.82Å; G77-P498 WeakPolarHBondContact O-CB 3.47Å; G77-P498 VanDerWaalsContact O-CG 3.29Å; G77-P498 WeakPolarHBondContact O-CG 3.35Å
78	K	98.6	Very high	98.4	Very high	121 Å²	121	50 Å²	50	53%	0.526	26%	0.263	S	S	.	.			trans	-86	62.3	174.8	-60.5	-176.5	-175.9	157.1	0	110.5	V68 P74 Q75 Y76	V68-K78 VanDerWaalsContact CG1-O 3.29Å; V68-K78 WeakPolarHBondContact CG1-O 3.49Å; P74-K78 WeakPolarHBondContact O-CE 3.4Å; P74-K78 PolarHBondContact O-NZ 3.47Å; Q75-K78 VanDerWaalsContact O-CB 3.31Å; Q75-K78 WeakPolarHBondContact O-CB 3.27Å; Q75-K78 PolarHBondContact O-N 2.59Å; Y76-K78 PolarHBondContact O-N 3.27Å
79	Y	98.7	Very high	98.4	Very high	39 Å²	39	49.9 Å²	49.9	15%	0.153	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-65.8	152.9	-175.1	-53.8	-58.6	0	0	0	113	V68 G77 A349 P498 P499 L500	V68-Y79 HydrophobicContact CB-CD1 3.99Å; V68-Y79 HydrophobicContact CB-CE1 4.26Å; V68-Y79 HydrophobicContact CG2-CD1 3.86Å; V68-Y79 HydrophobicContact CG2-CE1 4.18Å; G77-Y79 WeakPolarHBondContact O-CD2 3.32Å; G77-Y79 PolarHBondContact O-N 2.82Å; Y79-A349 WeakPolarHBondContact CA-O 3.31Å; Y79-P498 HydrophobicContact CD2-CB 4.24Å; Y79-P498 HydrophobicContact CE2-CB 3.77Å; Y79-P499 HydrophobicContact CD2-CG 4.47Å; Y79-P499 HydrophobicContact CE2-CG 4.09Å; Y79-P499 WeakPolarHBondContact CE2-O 3.39Å; Y79-P499 PolarHBondContact OH-O 3.04Å; Y79-L500 PolarHBondContact OH-O 2.65Å
80	L	98.8	Very high	98.4	Very high	26 Å²	26	53.5 Å²	53.5	14%	0.136	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-78.6	145.5	177	-81.9	67	0	0	0	110.6	L64 N84 V85 A349 R350	L64-L80 HydrophobicContact CD1-CD2 4.16Å; L80-N84 HydrophobicContact CB-CB 4.04Å; L80-N84 HydrophobicContact CD2-CB 4.14Å; L80-N84 HydrophobicContact CG-CB 4.02Å; L80-V85 HydrophobicContact CB-CG2 3.88Å; L80-V85 HydrophobicContact CD2-CG2 4.06Å; L80-A349 PolarHBondContact N-O 3.12Å; L80-R350 WeakPolarHBondContact O-CA 3.49Å; L80-R350 WeakPolarHBondContact O-CG 3.32Å
81	T	98.7	Very high	98.4	Very high	72 Å²	72	52 Å²	52	44%	0.442	27%	0.268	S	S	.	.	P	Polyproline II helix	trans	-71.8	164	163.8	68.2	0	0	0	0	110.3	E83 N84 V85	T81-E83 PolarHBondContact O-N 3.39Å; T81-N84 PolarHBondContact O-N 3.21Å; T81-N84 VanDerWaalsContact OG1-CG 3.3Å; T81-N84 PolarHBondContact OG1-N 3.24Å; T81-N84 VanDerWaalsContact OG1-N 3.12Å; T81-N84 PolarHBondContact OG1-OD1 3.11Å; T81-V85 PolarHBondContact O-N 3.42Å
82	L	98.5	Very high	98.5	Very high	4 Å²	4	52.6 Å²	52.6	2%	0.021	27%	0.272	C	S	.	.	H	α-helix	trans	-59.8	-34.6	173	-179.1	57.2	0	0	0	111.9	V85 A86 I115 T116	L82-V85 PolarHBondContact O-N 2.88Å; L82-A86 WeakPolarHBondContact O-CB 3.42Å; L82-A86 PolarHBondContact O-N 3.15Å; L82-I115 HydrophobicContact CD2-CB 4.04Å; L82-I115 HydrophobicContact CD2-CD1 3.59Å; L82-I115 HydrophobicContact CD2-CG1 4.38Å; L82-I115 HydrophobicContact CD2-CG2 4.1Å; L82-I115 HydrophobicContact CG-CB 4.33Å; L82-I115 HydrophobicContact CG-CG2 3.96Å; L82-T116 HydrophobicContact CD1-CG2 3.75Å
83	E	98.4	Very high	98.5	Very high	132 Å²	132	50.6 Å²	50.6	62%	0.617	27%	0.267	S	S	*	.	H	α-helix	trans	-63.8	-44.6	174.3	-67.6	-179.5	161.7	0	0	111.8	T81 V85 A86 D87	T81-E83 PolarHBondContact O-N 3.39Å; E83-V85 VanDerWaalsContact C-N 3.3Å; E83-V85 PolarHBondContact O-N 3.13Å; E83-A86 WeakPolarHBondContact O-CB 3.45Å; E83-A86 PolarHBondContact O-N 3.41Å; E83-A86 VanDerWaalsContact O-N 3.15Å; E83-D87 PolarHBondContact O-N 2.67Å
84	N	98.5	Very high	98.6	Very high	82 Å²	82	54.9 Å²	54.9	44%	0.439	29%	0.287	S	S	.	.	H	α-helix	trans	-64.4	-36.7	176.7	-63.5	157	0	0	0	112.2	L80 T81 L88	L80-N84 HydrophobicContact CB-CB 4.04Å; L80-N84 HydrophobicContact CD2-CB 4.14Å; L80-N84 HydrophobicContact CG-CB 4.02Å; T81-N84 PolarHBondContact O-N 3.21Å; T81-N84 VanDerWaalsContact OG1-CG 3.3Å; T81-N84 PolarHBondContact OG1-N 3.24Å; T81-N84 VanDerWaalsContact OG1-N 3.12Å; T81-N84 PolarHBondContact OG1-OD1 3.11Å; N84-L88 WeakPolarHBondContact O-CB 3.36Å; N84-L88 PolarHBondContact O-N 2.6Å; N84-L88 VanDerWaalsContact O-N 3.16Å
85	V	98.7	Very high	98.6	Very high	0 Å²	0	50 Å²	50	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-64.7	-47	171.6	172.7	0	0	0	0	110.4	L80 T81 L82 E83 D87 L88 V89 T116 K346 A349 R350	L80-V85 HydrophobicContact CB-CG2 3.88Å; L80-V85 HydrophobicContact CD2-CG2 4.06Å; T81-V85 PolarHBondContact O-N 3.42Å; L82-V85 PolarHBondContact O-N 2.88Å; E83-V85 VanDerWaalsContact C-N 3.3Å; E83-V85 PolarHBondContact O-N 3.13Å; V85-D87 PolarHBondContact O-N 3.23Å; V85-L88 WeakPolarHBondContact O-CB 3.42Å; V85-L88 PolarHBondContact O-N 2.87Å; V85-L88 VanDerWaalsContact O-N 3.14Å; V85-V89 HydrophobicContact CG1-CG2 4.08Å; V85-V89 VanDerWaalsContact O-CG2 3.29Å; V85-V89 WeakPolarHBondContact O-CG2 3.32Å; V85-V89 PolarHBondContact O-N 3.38Å; V85-T116 HydrophobicContact CG1-CG2 4.24Å; V85-K346 HydrophobicContact CG1-CB 4Å; V85-K346 HydrophobicContact CG1-CD 4.3Å; V85-K346 HydrophobicContact CG1-CG 3.79Å; V85-A349 HydrophobicContact CG2-CB 4.36Å; V85-R350 HydrophobicContact CG2-CG 3.76Å
86	A	98.6	Very high	98.6	Very high	3 Å²	3	46.9 Å²	46.9	3%	0.025	24%	0.242	C	C	.	.	H	α-helix	trans	-56.4	-50.1	178.3	0	0	0	0	0	111.3	L82 E83 L88 V89 R90 I115 T116	L82-A86 WeakPolarHBondContact O-CB 3.42Å; L82-A86 PolarHBondContact O-N 3.15Å; E83-A86 WeakPolarHBondContact O-CB 3.45Å; E83-A86 PolarHBondContact O-N 3.41Å; E83-A86 VanDerWaalsContact O-N 3.15Å; A86-L88 PolarHBondContact O-N 2.72Å; A86-V89 PolarHBondContact O-N 3.13Å; A86-R90 WeakPolarHBondContact O-CB 3.48Å; A86-R90 PolarHBondContact O-N 3.01Å; A86-I115 HydrophobicContact CB-CG2 4.28Å; A86-T116 HydrophobicContact CB-CG2 4.01Å
87	D	98.5	Very high	98.6	Very high	110 Å²	110	51 Å²	51	59%	0.588	26%	0.261	S	S	*	.	H	α-helix	trans	-62.4	-29.9	179.4	-69.7	-22.4	0	0	0	113.2	E83 V85 R90	E83-D87 PolarHBondContact O-N 2.67Å; V85-D87 PolarHBondContact O-N 3.23Å; D87-R90 IonicContact OD1-NH1 3.54Å; D87-R90 PolarHBondContact OD1-NH1 3.04Å; D87-R90 VanDerWaalsContact OD1-NH1 3.1Å
88	L	98.6	Very high	98.6	Very high	29 Å²	29	52.7 Å²	52.7	15%	0.152	27%	0.27	C	S	.	.	H	α-helix	trans	-75.4	-47	176.8	-177.8	64.2	0	0	0	112.4	N57 R60 L61 L64 N84 V85 A86	N57-L88 HydrophobicContact CB-CD1 3.65Å; N57-L88 HydrophobicContact CB-CG 4.16Å; N57-L88 WeakPolarHBondContact CB-O 3.44Å; N57-L88 PolarHBondContact OD1-O 3.09Å; R60-L88 HydrophobicContact CB-CD1 4.31Å; R60-L88 HydrophobicContact CG-CD1 3.93Å; L61-L88 HydrophobicContact CB-CD2 3.98Å; L61-L88 HydrophobicContact CD1-CD2 4.09Å; L64-L88 HydrophobicContact CD1-CD2 3.73Å; N84-L88 WeakPolarHBondContact O-CB 3.36Å; N84-L88 PolarHBondContact O-N 2.6Å; N84-L88 VanDerWaalsContact O-N 3.16Å; V85-L88 WeakPolarHBondContact O-CB 3.42Å; V85-L88 PolarHBondContact O-N 2.87Å; V85-L88 VanDerWaalsContact O-N 3.14Å; A86-L88 PolarHBondContact O-N 2.72Å
89	V	98.8	Very high	98.6	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-106.6	-9.2	-165.6	-54.8	0	0	0	0	115.4	Q55 Q56 L58 L61 V85 A86 K346	Q55-V89 VanDerWaalsContact CA-O 3.32Å; Q55-V89 WeakPolarHBondContact CA-O 3.37Å; Q55-V89 HydrophobicContact CB-CB 4.5Å; Q55-V89 WeakPolarHBondContact CB-O 3.34Å; Q56-V89 PolarHBondContact N-O 3.46Å; Q56-V89 WeakPolarHBondContact O-CA 3.44Å; L58-V89 HydrophobicContact CD2-CG1 4.47Å; L61-V89 HydrophobicContact CB-CG1 4.44Å; L61-V89 HydrophobicContact CD2-CG1 4.09Å; V85-V89 HydrophobicContact CG1-CG2 4.08Å; V85-V89 VanDerWaalsContact O-CG2 3.29Å; V85-V89 WeakPolarHBondContact O-CG2 3.32Å; V85-V89 PolarHBondContact O-N 3.38Å; A86-V89 PolarHBondContact O-N 3.13Å; V89-K346 HydrophobicContact CG2-CD 4.06Å
90	R	98.6	Very high	98.6	Very high	76 Å²	76	49.7 Å²	49.7	29%	0.287	26%	0.259	S	S	.	.	P	Polyproline II helix	trans	-50	143.4	-177.4	125.8	-168.8	-57.6	131.6	11.6	110.9	Q56 A86 D87 T116 Q117	Q56-R90 WeakPolarHBondContact CG-O 3.29Å; Q56-R90 PolarHBondContact OE1-O 3.06Å; A86-R90 WeakPolarHBondContact O-CB 3.48Å; A86-R90 PolarHBondContact O-N 3.01Å; D87-R90 IonicContact OD1-NH1 3.54Å; D87-R90 PolarHBondContact OD1-NH1 3.04Å; D87-R90 VanDerWaalsContact OD1-NH1 3.1Å; R90-T116 WeakPolarHBondContact CA-O 3.48Å; R90-Q117 VanDerWaalsContact CZ-OE1 3.29Å; R90-Q117 VanDerWaalsContact NH2-CD 3.35Å; R90-Q117 VanDerWaalsContact NH2-OE1 3.12Å
91	P	98.8	Very high	98.6	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-61.6	153.4	173.9	-22	33.9	0	0	0	112.2	L53 R54 T95 L96 Q117 D118	L53-P91 HydrophobicContact CB-CB 4.37Å; L53-P91 HydrophobicContact CB-CG 3.68Å; L53-P91 HydrophobicContact CD1-CG 4.29Å; R54-P91 WeakPolarHBondContact O-CA 3.5Å; R54-P91 VanDerWaalsContact O-CB 3.27Å; R54-P91 WeakPolarHBondContact O-CB 3.31Å; P91-T95 HydrophobicContact CB-CG2 3.62Å; P91-L96 HydrophobicContact CB-CD2 3.94Å; P91-L96 HydrophobicContact CB-CG 4.15Å; P91-L96 HydrophobicContact CG-CD2 4.04Å; P91-Q117 WeakPolarHBondContact CD-O 3.16Å; P91-Q117 WeakPolarHBondContact CG-O 3.03Å; P91-D118 HydrophobicContact CG-CB 4.09Å
92	S	98.8	Very high	98.6	Very high	27 Å²	27	54.5 Å²	54.5	19%	0.189	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-60.7	153.6	176.8	72.9	0	0	0	0	111.6	L94 T95 L96	S92-L94 PolarHBondContact O-N 3.47Å; S92-L94 VanDerWaalsContact O-N 3.1Å; S92-T95 WeakPolarHBondContact O-CA 3.45Å; S92-T95 WeakPolarHBondContact O-CB 3.17Å; S92-T95 PolarHBondContact O-N 3.03Å; S92-T95 PolarHBondContact OG-N 2.99Å; S92-T95 VanDerWaalsContact OG-N 3.09Å; S92-T95 PolarHBondContact OG-OG1 2.9Å; S92-L96 PolarHBondContact O-N 3.34Å
93	P	98.5	Very high	98.6	Very high	89 Å²	89	54.5 Å²	54.5	58%	0.578	27%	0.272	S	S	*	.	H	α-helix	trans	-53.8	-32.4	172.7	-27.4	35.2	0	0	0	112.9	H97	P93-H97 WeakPolarHBondContact O-CB 3.44Å; P93-H97 PolarHBondContact O-N 3.26Å; P93-H97 PolarHBondContact O-ND1 2.96Å
94	L	98.6	Very high	98.5	Very high	111 Å²	111	54.4 Å²	54.4	58%	0.581	28%	0.275	S	S	*	.	H	α-helix	trans	-63.5	-48.6	173.8	179.9	61.8	0	0	0	111.5	S92 T98	S92-L94 PolarHBondContact O-N 3.47Å; S92-L94 VanDerWaalsContact O-N 3.1Å; L94-T98 VanDerWaalsContact O-CB 3.25Å; L94-T98 WeakPolarHBondContact O-CB 3.49Å; L94-T98 PolarHBondContact O-N 2.87Å; L94-T98 PolarHBondContact O-OG1 3.18Å
95	T	98.8	Very high	98.5	Very high	4 Å²	4	54.9 Å²	54.9	3%	0.025	29%	0.29	C	S	.	.	H	α-helix	trans	-58	-50.7	176.2	-66.5	0	0	0	0	111.2	L53 P91 S92 H97 T98 V99 H166	L53-T95 HydrophobicContact CB-CG2 4.26Å; P91-T95 HydrophobicContact CB-CG2 3.62Å; S92-T95 WeakPolarHBondContact O-CA 3.45Å; S92-T95 WeakPolarHBondContact O-CB 3.17Å; S92-T95 PolarHBondContact O-N 3.03Å; S92-T95 PolarHBondContact OG-N 2.99Å; S92-T95 VanDerWaalsContact OG-N 3.09Å; S92-T95 PolarHBondContact OG-OG1 2.9Å; T95-H97 PolarHBondContact O-N 2.84Å; T95-T98 PolarHBondContact O-N 2.81Å; T95-V99 HydrophobicContact CG2-CG2 4.45Å; T95-V99 WeakPolarHBondContact O-CG2 3.09Å; T95-V99 PolarHBondContact O-N 2.98Å; T95-H166 WeakPolarHBondContact CA-ND1 3.31Å; T95-H166 HydrophobicContact CG2-CB 3.97Å; T95-H166 WeakPolarHBondContact CG2-O 3.38Å; T95-H166 PolarHBondContact OG1-ND1 3.49Å
96	L	98.6	Very high	98.4	Very high	27 Å²	27	56.1 Å²	56.1	14%	0.141	30%	0.301	C	S	.	.	H	α-helix	trans	-58.9	-51.2	-178.7	-64.3	177.5	0	0	0	111.3	L53 P91 S92 T98 Q100	L53-L96 HydrophobicContact CD1-CD2 3.82Å; P91-L96 HydrophobicContact CB-CD2 3.94Å; P91-L96 HydrophobicContact CB-CG 4.15Å; P91-L96 HydrophobicContact CG-CD2 4.04Å; S92-L96 PolarHBondContact O-N 3.34Å; L96-T98 PolarHBondContact O-N 3.42Å; L96-Q100 VanDerWaalsContact O-CB 3.27Å; L96-Q100 WeakPolarHBondContact O-CB 3.22Å; L96-Q100 WeakPolarHBondContact O-CG 3.4Å; L96-Q100 PolarHBondContact O-N 3.42Å
97	H	98.4	Very high	98.4	Very high	112 Å²	112	57.1 Å²	57.1	52%	0.519	31%	0.311	S	S	.	.	H	α-helix	trans	-65.1	-40.5	-179.6	-68.6	158.4	0	0	0	113.1	P93 T95 K101	P93-H97 WeakPolarHBondContact O-CB 3.44Å; P93-H97 PolarHBondContact O-N 3.26Å; P93-H97 PolarHBondContact O-ND1 2.96Å; T95-H97 PolarHBondContact O-N 2.84Å; H97-K101 WeakPolarHBondContact O-CB 3.34Å; H97-K101 VanDerWaalsContact O-CG 3.3Å; H97-K101 WeakPolarHBondContact O-CG 3.22Å; H97-K101 PolarHBondContact O-N 2.8Å
98	T	98.6	Very high	98.4	Very high	42 Å²	42	52.4 Å²	52.4	26%	0.258	29%	0.287	S	S	.	.	H	α-helix	trans	-64.3	-47.2	-179.9	-64.5	0	0	0	0	110.9	L94 T95 L96 W102 L163	L94-T98 VanDerWaalsContact O-CB 3.25Å; L94-T98 WeakPolarHBondContact O-CB 3.49Å; L94-T98 PolarHBondContact O-N 2.87Å; L94-T98 PolarHBondContact O-OG1 3.18Å; T95-T98 PolarHBondContact O-N 2.81Å; L96-T98 PolarHBondContact O-N 3.42Å; T98-W102 WeakPolarHBondContact O-CB 3.38Å; T98-W102 PolarHBondContact O-N 3.23Å; T98-L163 HydrophobicContact CG2-CD2 4.05Å
99	V	98.6	Very high	98.3	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-69.6	-42.6	-179	176.9	0	0	0	0	111.2	L53 T95 K101 W102 L103 L163 H166 V167	L53-V99 HydrophobicContact CD2-CB 4.27Å; L53-V99 HydrophobicContact CD2-CG1 3.73Å; L53-V99 HydrophobicContact CD2-CG2 4.16Å; T95-V99 HydrophobicContact CG2-CG2 4.45Å; T95-V99 WeakPolarHBondContact O-CG2 3.09Å; T95-V99 PolarHBondContact O-N 2.98Å; V99-K101 PolarHBondContact O-N 3.3Å; V99-W102 HydrophobicContact CG1-CE3 4.18Å; V99-W102 PolarHBondContact O-N 3.42Å; V99-L103 HydrophobicContact CG1-CD1 3.8Å; V99-L103 HydrophobicContact CG1-CG 4.17Å; V99-L103 WeakPolarHBondContact O-CG 3.33Å; V99-L103 PolarHBondContact O-N 3.15Å; V99-L163 HydrophobicContact CG2-CD2 4.09Å; V99-H166 HydrophobicContact CG2-CB 3.92Å; V99-V167 HydrophobicContact CG2-CG2 3.74Å
100	Q	98.2	Very high	98.2	Very high	97 Å²	97	63.7 Å²	63.7	45%	0.453	34%	0.337	S	S	.	.	H	α-helix	trans	-60.1	-44.6	176.6	-74	167.7	-4.7	0	0	112.2	L96 W102 L103 L104 L120	L96-Q100 VanDerWaalsContact O-CB 3.27Å; L96-Q100 WeakPolarHBondContact O-CB 3.22Å; L96-Q100 WeakPolarHBondContact O-CG 3.4Å; L96-Q100 PolarHBondContact O-N 3.42Å; Q100-W102 VanDerWaalsContact C-N 3.35Å; Q100-L103 PolarHBondContact O-N 3Å; Q100-L104 VanDerWaalsContact O-CB 3.25Å; Q100-L104 WeakPolarHBondContact O-CB 3.39Å; Q100-L104 PolarHBondContact O-N 3.43Å; Q100-L120 HydrophobicContact CG-CD2 4.41Å
101	K	98.3	Very high	98.2	Very high	156 Å²	156	62.8 Å²	62.8	68%	0.678	34%	0.342	S	S	*	.	H	α-helix	trans	-63	-41.9	175.8	-76.7	179.7	-179.9	-179.4	0	112	H97 V99 A105	H97-K101 WeakPolarHBondContact O-CB 3.34Å; H97-K101 VanDerWaalsContact O-CG 3.3Å; H97-K101 WeakPolarHBondContact O-CG 3.22Å; H97-K101 PolarHBondContact O-N 2.8Å; V99-K101 PolarHBondContact O-N 3.3Å; K101-A105 VanDerWaalsContact O-CB 3.28Å; K101-A105 WeakPolarHBondContact O-CB 3.25Å; K101-A105 PolarHBondContact O-N 2.98Å
102	W	98.5	Very high	98.1	Very high	44 Å²	44	68.9 Å²	68.9	17%	0.167	37%	0.37	C	S	.	.	H	α-helix	trans	-62.1	-47.4	178.1	170.8	62.3	0	0	0	112	F51 T98 V99 Q100 A105 A106 L132 L133 L159 L163	F51-W102 HydrophobicContact CD1-CH2 4.06Å; F51-W102 AromaticContact CD1-CZ3 3.71Å; F51-W102 HydrophobicContact CD1-CZ3 3.71Å; F51-W102 AromaticContact CE1-CH2 3.69Å; F51-W102 HydrophobicContact CE1-CH2 3.69Å; F51-W102 AromaticContact CE1-CZ3 3.67Å; F51-W102 HydrophobicContact CE1-CZ3 3.67Å; T98-W102 WeakPolarHBondContact O-CB 3.38Å; T98-W102 PolarHBondContact O-N 3.23Å; V99-W102 HydrophobicContact CG1-CE3 4.18Å; V99-W102 PolarHBondContact O-N 3.42Å; Q100-W102 VanDerWaalsContact C-N 3.35Å; W102-A105 PolarHBondContact O-N 2.96Å; W102-A106 PolarHBondContact O-N 2.6Å; W102-L132 HydrophobicContact CD2-CD1 3.87Å; W102-L132 HydrophobicContact CE3-CD1 4.48Å; W102-L132 HydrophobicContact CG-CD1 4.42Å; W102-L132 HydrophobicContact CH2-CD1 3.9Å; W102-L132 HydrophobicContact CH2-CD2 4.19Å; W102-L132 HydrophobicContact CH2-CG 3.95Å; W102-L132 HydrophobicContact CZ2-CD1 3.17Å; W102-L132 HydrophobicContact CZ2-CD2 4.23Å; W102-L132 HydrophobicContact CZ2-CG 3.52Å; W102-L132 HydrophobicContact CZ3-CD1 4.5Å; W102-L132 VanDerWaalsContact NE1-CD1 3.27Å; W102-L133 HydrophobicContact CH2-CD2 4.1Å; W102-L133 HydrophobicContact CZ2-CD2 4.23Å; W102-L159 HydrophobicContact CH2-CD2 3.76Å; W102-L159 HydrophobicContact CZ2-CD2 3.9Å; W102-L163 HydrophobicContact CD2-CD1 3.42Å; W102-L163 VanDerWaalsContact CD2-CD1 3.42Å; W102-L163 HydrophobicContact CD2-CD2 4.31Å; W102-L163 HydrophobicContact CE3-CD1 3.85Å; W102-L163 HydrophobicContact CE3-CD2 4.31Å; W102-L163 HydrophobicContact CG-CD1 3.85Å; W102-L163 HydrophobicContact CG-CD2 4.45Å; W102-L163 HydrophobicContact CH2-CD1 4.06Å; W102-L163 HydrophobicContact CZ2-CD1 3.64Å; W102-L163 HydrophobicContact CZ3-CD1 4.15Å
103	L	98.5	Very high	98	Very high	3 Å²	3	70.1 Å²	70.1	2%	0.016	38%	0.379	C	S	.	.	H	α-helix	trans	-67.2	-43.2	178.5	-68	175.8	0	0	0	112.3	F51 V99 Q100 A105 A106 G107 A108 L120 L132	F51-L103 HydrophobicContact CD1-CD2 4.17Å; F51-L103 HydrophobicContact CD2-CD1 3.98Å; F51-L103 HydrophobicContact CD2-CD2 4.07Å; F51-L103 HydrophobicContact CE1-CD2 3.72Å; F51-L103 HydrophobicContact CE2-CD1 4.24Å; F51-L103 HydrophobicContact CE2-CD2 3.62Å; F51-L103 HydrophobicContact CG-CD1 4.31Å; F51-L103 HydrophobicContact CG-CD2 4.35Å; F51-L103 HydrophobicContact CZ-CD2 3.43Å; F51-L103 VanDerWaalsContact CZ-CD2 3.43Å; V99-L103 HydrophobicContact CG1-CD1 3.8Å; V99-L103 HydrophobicContact CG1-CG 4.17Å; V99-L103 WeakPolarHBondContact O-CG 3.33Å; V99-L103 PolarHBondContact O-N 3.15Å; Q100-L103 PolarHBondContact O-N 3Å; L103-A105 VanDerWaalsContact C-N 3.33Å; L103-A105 PolarHBondContact O-N 3.48Å; L103-A106 WeakPolarHBondContact O-CB 3.28Å; L103-A106 PolarHBondContact O-N 3.48Å; L103-A106 VanDerWaalsContact O-N 3.11Å; L103-G107 PolarHBondContact O-N 3.04Å; L103-A108 HydrophobicContact CB-CB 3.83Å; L103-A108 WeakPolarHBondContact O-CB 3.44Å; L103-A108 PolarHBondContact O-N 2.77Å; L103-L120 HydrophobicContact CD1-CD2 3.57Å; L103-L120 HydrophobicContact CD1-CG 4.3Å; L103-L132 HydrophobicContact CD2-CD2 3.81Å
104	L	97.7	Very high	98	Very high	130 Å²	130	66.5 Å²	66.5	68%	0.681	36%	0.355	S	S	*	.	H	α-helix	trans	-61.8	-42.1	177.5	-178.3	64	0	0	0	111.6	Q100 A106 G107	Q100-L104 VanDerWaalsContact O-CB 3.25Å; Q100-L104 WeakPolarHBondContact O-CB 3.39Å; Q100-L104 PolarHBondContact O-N 3.43Å; L104-A106 PolarHBondContact O-N 3.08Å; L104-G107 PolarHBondContact O-N 2.95Å; L104-G107 VanDerWaalsContact O-N 3.08Å
105	A	97.9	Very high	98	Very high	92 Å²	92	64.1 Å²	64.1	76%	0.76	34%	0.343	S	S	*	.	H	α-helix	trans	-63.9	-25.3	176.7	0	0	0	0	0	113	K101 W102 L103 G107	K101-A105 VanDerWaalsContact O-CB 3.28Å; K101-A105 WeakPolarHBondContact O-CB 3.25Å; K101-A105 PolarHBondContact O-N 2.98Å; W102-A105 PolarHBondContact O-N 2.96Å; L103-A105 VanDerWaalsContact C-N 3.33Å; L103-A105 PolarHBondContact O-N 3.48Å; A105-G107 VanDerWaalsContact C-N 3.34Å
106	A	97.2	Very high	97.9	Very high	26 Å²	26	64 Å²	64	22%	0.215	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-4.1	176.2	0	0	0	0	0	114	W102 L103 L104 Q128 L132	W102-A106 PolarHBondContact O-N 2.6Å; L103-A106 WeakPolarHBondContact O-CB 3.28Å; L103-A106 PolarHBondContact O-N 3.48Å; L103-A106 VanDerWaalsContact O-N 3.11Å; L104-A106 PolarHBondContact O-N 3.08Å; A106-Q128 WeakPolarHBondContact O-CG 3.2Å; A106-L132 HydrophobicContact CB-CB 4.36Å; A106-L132 HydrophobicContact CB-CD1 3.55Å; A106-L132 HydrophobicContact CB-CD2 4.44Å; A106-L132 HydrophobicContact CB-CG 4.35Å
107	G	97.8	Very high	97.9	Very high	24 Å²	24	65.9 Å²	65.9	25%	0.247	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	90.7	15	178.9	0	0	0	0	0	114.8	L103 L104 A105 Q109	L103-G107 PolarHBondContact O-N 3.04Å; L104-G107 PolarHBondContact O-N 2.95Å; L104-G107 VanDerWaalsContact O-N 3.08Å; A105-G107 VanDerWaalsContact C-N 3.34Å; G107-Q109 WeakPolarHBondContact O-CG 3.37Å
108	A	97.9	Very high	97.9	Very high	11 Å²	11	60.5 Å²	60.5	9%	0.091	33%	0.325	C	S	.	.			trans	-58.3	136.9	177.9	0	0	0	0	0	112.4	L103 C122 W123 L124	L103-A108 HydrophobicContact CB-CB 3.83Å; L103-A108 WeakPolarHBondContact O-CB 3.44Å; L103-A108 PolarHBondContact O-N 2.77Å; A108-C122 HydrophobicContact CB-CB 3.95Å; A108-W123 WeakPolarHBondContact CA-O 3.46Å; A108-L124 HydrophobicContact CB-CD2 3.92Å; A108-L124 HydrophobicContact CB-CG 4.32Å
109	Q	97.4	Very high	97.9	Very high	118 Å²	118	58.5 Å²	58.5	55%	0.551	31%	0.313	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130.4	168.1	-179.3	-59.4	-172.3	3.6	0	0	112.1	G107 C111 W123	G107-Q109 WeakPolarHBondContact O-CG 3.37Å; Q109-C111 PolarHBondContact O-N 2.79Å; Q109-W123 PolarHBondContact N-O 3.21Å; Q109-W123 PolarHBondContact O-N 3.2Å
110	K	97.3	Very high	97.9	Very high	148 Å²	148	59.4 Å²	59.4	64%	0.643	32%	0.317	S	S	*	.	E	Extended strand (participates in β ladder)	trans	46.7	45.1	173.7	-60.7	174.4	-174	168.5	0	112	H112 W123	K110-H112 PolarHBondContact O-CE1 3.11Å; K110-H112 PolarHBondContact O-ND1 3.06Å; K110-W123 HydrophobicContact CB-CG 4.31Å
111	C	97.4	Very high	97.9	Very high	58 Å²	58	55.5 Å²	55.5	39%	0.392	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	137.9	-177	-64	0	0	0	0	111.1	Q109 L120 T121 C122	Q109-C111 PolarHBondContact O-N 2.79Å; C111-L120 HydrophobicContact CB-CD1 4.05Å; C111-T121 CarbonylContact C-O 3.48Å; C111-T121 WeakPolarHBondContact CA-O 3.48Å; C111-C122 HydrophobicContact CB-CB 4.17Å; C111-C122 WeakPolarHBondContact CB-SG 3.44Å; C111-C122 WeakPolarHBondContact SG-CB 3.37Å; C111-C122 CovalentContact SG-SG 2.04Å; C111-C122 PolarHBondContact SG-SG 3.08Å
112	H	96.9	Very high	97.9	Very high	127 Å²	127	48.1 Å²	48.1	59%	0.588	27%	0.268	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128	138	176.7	-55.6	86.9	0	0	0	109.9	K110 T121	K110-H112 PolarHBondContact O-CE1 3.11Å; K110-H112 PolarHBondContact O-ND1 3.06Å; H112-T121 PolarHBondContact N-O 3.42Å; H112-T121 PolarHBondContact O-N 2.8Å
113	S	97.4	Very high	97.9	Very high	54 Å²	54	50.5 Å²	50.5	38%	0.378	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	164	174.9	-178.3	0	0	0	0	109.7	F119	S113-F119 WeakPolarHBondContact CA-O 3.3Å; S113-F119 PolarHBondContact OG-O 3.17Å
114	V	97.7	Very high	97.9	Very high	13 Å²	13	50.4 Å²	50.4	8%	0.079	28%	0.276	C	S	.	.			trans	-96.8	168.9	168.8	-60	0	0	0	0	111.6	T116 Q117 F119 M309 N313	V114-T116 VanDerWaalsContact C-N 3.26Å; V114-T116 WeakPolarHBondContact CG2-OG1 3.35Å; V114-T116 PolarHBondContact O-N 3.09Å; V114-Q117 WeakPolarHBondContact O-CA 3.28Å; V114-Q117 PolarHBondContact O-N 3.34Å; V114-F119 HydrophobicContact CG2-CB 4.21Å; V114-F119 HydrophobicContact CG2-CD2 4.41Å; V114-M309 HydrophobicContact CG1-CB 4.34Å; V114-M309 HydrophobicContact CG1-CE 4.33Å; V114-N313 VanDerWaalsContact CA-OD1 3.3Å; V114-N313 WeakPolarHBondContact CA-OD1 3.31Å; V114-N313 HydrophobicContact CB-CB 3.99Å; V114-N313 HydrophobicContact CG1-CB 3.9Å
115	I	98.3	Very high	98	Very high	61 Å²	61	44.5 Å²	44.5	31%	0.313	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-39.6	179.1	-68	169.1	0	0	0	111.8	L82 A86 Q117 S312 N313	L82-I115 HydrophobicContact CD2-CB 4.04Å; L82-I115 HydrophobicContact CD2-CD1 3.59Å; L82-I115 HydrophobicContact CD2-CG1 4.38Å; L82-I115 HydrophobicContact CD2-CG2 4.1Å; L82-I115 HydrophobicContact CG-CB 4.33Å; L82-I115 HydrophobicContact CG-CG2 3.96Å; A86-I115 HydrophobicContact CB-CG2 4.28Å; I115-Q117 PolarHBondContact O-N 3.07Å; I115-S312 PolarHBondContact N-O 2.92Å; I115-N313 WeakPolarHBondContact CD1-O 3.46Å; I115-N313 PolarHBondContact N-OD1 3Å
116	T	98.3	Very high	98	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-8.8	177	51.3	0	0	0	0	114.2	L82 V85 A86 R90 V114 D118 S312 K346	L82-T116 HydrophobicContact CD1-CG2 3.75Å; V85-T116 HydrophobicContact CG1-CG2 4.24Å; A86-T116 HydrophobicContact CB-CG2 4.01Å; R90-T116 WeakPolarHBondContact CA-O 3.48Å; V114-T116 VanDerWaalsContact C-N 3.26Å; V114-T116 WeakPolarHBondContact CG2-OG1 3.35Å; V114-T116 PolarHBondContact O-N 3.09Å; T116-D118 WeakPolarHBondContact CB-OD1 3.25Å; T116-D118 PolarHBondContact O-N 3.49Å; T116-D118 VanDerWaalsContact OG1-CG 3.32Å; T116-D118 PolarHBondContact OG1-OD1 3.47Å; T116-D118 PolarHBondContact OG1-OD2 3.44Å; T116-S312 WeakPolarHBondContact OG1-CB 3.35Å; T116-K346 PolarHBondContact OG1-NZ 2.93Å
117	Q	98.4	Very high	98	Very high	67 Å²	67	45.3 Å²	45.3	31%	0.313	22%	0.224	S	C	.	.	S	Bend	trans	57.4	11.7	177.6	-63	-174.2	-29.7	0	0	116.5	R90 P91 V114 I115	R90-Q117 VanDerWaalsContact CZ-OE1 3.29Å; R90-Q117 VanDerWaalsContact NH2-CD 3.35Å; R90-Q117 VanDerWaalsContact NH2-OE1 3.12Å; P91-Q117 WeakPolarHBondContact CD-O 3.16Å; P91-Q117 WeakPolarHBondContact CG-O 3.03Å; V114-Q117 WeakPolarHBondContact O-CA 3.28Å; V114-Q117 PolarHBondContact O-N 3.34Å; I115-Q117 PolarHBondContact O-N 3.07Å
118	D	98.5	Very high	98.1	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	23%	0.225	C	C	.	.			trans	-95.4	-0.1	-178.4	52.6	6.5	0	0	0	113.7	L53 Q55 P91 T116 R339 K346	L53-D118 WeakPolarHBondContact CB-O 3.29Å; L53-D118 PolarHBondContact N-O 3.29Å; Q55-D118 HydrophobicContact CG-CB 3.65Å; Q55-D118 PolarHBondContact NE2-OD2 2.93Å; P91-D118 HydrophobicContact CG-CB 4.09Å; T116-D118 WeakPolarHBondContact CB-OD1 3.25Å; T116-D118 PolarHBondContact O-N 3.49Å; T116-D118 VanDerWaalsContact OG1-CG 3.32Å; T116-D118 PolarHBondContact OG1-OD1 3.47Å; T116-D118 PolarHBondContact OG1-OD2 3.44Å; D118-R339 PolarHBondContact O-NH2 2.9Å; D118-R339 IonicContact OD1-NH2 3.55Å; D118-K346 IonicContact OD1-NZ 2.77Å; D118-K346 PolarHBondContact OD1-NZ 3.02Å; D118-K346 IonicContact OD2-NZ 2.71Å; D118-K346 PolarHBondContact OD2-NZ 3.36Å
119	F	98.6	Very high	98.1	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	140.2	167.2	-69.5	-78.8	0	0	0	110.5	T50 F51 A52 S113 V114 L305 M309 R339 E343	T50-F119 HydrophobicContact CG2-CD1 3.87Å; F51-F119 WeakPolarHBondContact O-CA 3.47Å; A52-F119 HydrophobicContact CB-CD1 4.14Å; A52-F119 HydrophobicContact CB-CE1 3.81Å; S113-F119 WeakPolarHBondContact CA-O 3.3Å; S113-F119 PolarHBondContact OG-O 3.17Å; V114-F119 HydrophobicContact CG2-CB 4.21Å; V114-F119 HydrophobicContact CG2-CD2 4.41Å; F119-L305 HydrophobicContact CE1-CD1 3.95Å; F119-L305 HydrophobicContact CZ-CD1 4.05Å; F119-M309 HydrophobicContact CB-CE 3.53Å; F119-M309 HydrophobicContact CB-CG 4.23Å; F119-M309 HydrophobicContact CB-SD 4.2Å; F119-M309 HydrophobicContact CD1-CE 4.46Å; F119-M309 HydrophobicContact CD1-CG 4.05Å; F119-M309 HydrophobicContact CD1-SD 4.04Å; F119-M309 HydrophobicContact CD2-CG 3.67Å; F119-M309 HydrophobicContact CE1-CG 4.25Å; F119-M309 HydrophobicContact CE2-CG 3.86Å; F119-M309 HydrophobicContact CG-CE 4.04Å; F119-M309 HydrophobicContact CG-CG 3.74Å; F119-M309 HydrophobicContact CG-SD 4.06Å; F119-M309 HydrophobicContact CZ-CG 4.14Å; F119-R339 VanDerWaalsContact CD2-NH2 3.3Å; F119-R339 VanDerWaalsContact CE1-NH2 3.33Å; F119-R339 VanDerWaalsContact CZ-CZ 3.48Å; F119-E343 HydrophobicContact CE2-CG 4.08Å; F119-E343 HydrophobicContact CZ-CG 4.1Å
120	L	98.3	Very high	98.2	Very high	18 Å²	18	42.7 Å²	42.7	9%	0.094	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	118.8	174.9	-176.3	62.3	0	0	0	108.8	F51 L53 Q100 L103 C111	F51-L120 WeakPolarHBondContact CB-O 3.37Å; F51-L120 WeakPolarHBondContact CD2-O 3.45Å; F51-L120 PolarHBondContact N-O 3.44Å; F51-L120 PolarHBondContact O-N 3.22Å; F51-L120 VanDerWaalsContact O-N 3.08Å; L53-L120 HydrophobicContact CD1-CB 4.31Å; Q100-L120 HydrophobicContact CG-CD2 4.41Å; L103-L120 HydrophobicContact CD1-CD2 3.57Å; L103-L120 HydrophobicContact CD1-CG 4.3Å; C111-L120 HydrophobicContact CB-CD1 4.05Å
121	T	98.3	Very high	98.2	Very high	16 Å²	16	42.1 Å²	42.1	10%	0.098	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	129.6	178.8	-58.6	0	0	0	0	109.4	S48 L49 T50 C111 H112 M309	S48-T121 WeakPolarHBondContact OG-CG2 3.5Å; L49-T121 VanDerWaalsContact O-CA 3.31Å; L49-T121 WeakPolarHBondContact O-CA 3.24Å; T50-T121 PolarHBondContact OG1-OG1 2.96Å; C111-T121 CarbonylContact C-O 3.48Å; C111-T121 WeakPolarHBondContact CA-O 3.48Å; H112-T121 PolarHBondContact N-O 3.42Å; H112-T121 PolarHBondContact O-N 2.8Å; T121-M309 WeakPolarHBondContact OG1-CE 3.16Å
122	C	98.2	Very high	98.3	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	151.7	-176.6	-65.1	0	0	0	0	112.1	S48 L49 F51 A108 C111	S48-C122 WeakPolarHBondContact CA-O 3.3Å; L49-C122 PolarHBondContact N-O 2.84Å; L49-C122 PolarHBondContact O-N 2.91Å; F51-C122 HydrophobicContact CE2-CB 4.43Å; A108-C122 HydrophobicContact CB-CB 3.95Å; C111-C122 HydrophobicContact CB-CB 4.17Å; C111-C122 WeakPolarHBondContact CB-SG 3.44Å; C111-C122 WeakPolarHBondContact SG-CB 3.37Å; C111-C122 CovalentContact SG-SG 2.04Å; C111-C122 PolarHBondContact SG-SG 3.08Å
123	W	98.4	Very high	98.3	Very high	95 Å²	95	33.8 Å²	33.8	36%	0.36	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	136.2	170.7	-69.6	81.2	0	0	0	110.7	E46 L47 A108 Q109 K110	E46-W123 HydrophobicContact CB-CE3 3.94Å; E46-W123 HydrophobicContact CB-CZ3 4.18Å; L47-W123 WeakPolarHBondContact O-CA 3.45Å; A108-W123 WeakPolarHBondContact CA-O 3.46Å; Q109-W123 PolarHBondContact N-O 3.21Å; Q109-W123 PolarHBondContact O-N 3.2Å; K110-W123 HydrophobicContact CB-CG 4.31Å
124	L	98.4	Very high	98.4	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	153.3	178.2	-71.5	150.8	0	0	0	108	E46 L47 L49 F51 A108 Q128 A129 L132	E46-L124 WeakPolarHBondContact CA-O 3.5Å; L47-L124 VanDerWaalsContact CD2-O 3.3Å; L47-L124 WeakPolarHBondContact CD2-O 3.48Å; L47-L124 PolarHBondContact N-O 3.1Å; L47-L124 PolarHBondContact O-N 2.88Å; L49-L124 HydrophobicContact CD1-CD1 4.23Å; F51-L124 HydrophobicContact CZ-CD1 4.19Å; A108-L124 HydrophobicContact CB-CD2 3.92Å; A108-L124 HydrophobicContact CB-CG 4.32Å; L124-Q128 HydrophobicContact CB-CB 4.33Å; L124-Q128 HydrophobicContact CD2-CB 3.89Å; L124-A129 HydrophobicContact CB-CB 4.26Å; L124-A129 HydrophobicContact CD1-CB 4.47Å; L124-L132 HydrophobicContact CD1-CD2 3.74Å; L124-L132 HydrophobicContact CD2-CD2 4.48Å
125	S	98.6	Very high	98.3	Very high	7 Å²	7	35.6 Å²	35.6	5%	0.049	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	156.1	161.9	77.9	0	0	0	0	110.9	E45 R127 Q128 A129	E45-S125 CarbonylContact O-C 3.59Å; E45-S125 WeakPolarHBondContact O-CA 3.49Å; S125-R127 PolarHBondContact O-N 3.06Å; S125-Q128 WeakPolarHBondContact O-CB 3.4Å; S125-Q128 PolarHBondContact O-N 3.47Å; S125-Q128 WeakPolarHBondContact OG-CG 3.37Å; S125-Q128 PolarHBondContact OG-N 2.86Å; S125-A129 PolarHBondContact O-N 2.85Å
126	I	98.5	Very high	98.3	Very high	2 Å²	2	33 Å²	33	1%	0.01	17%	0.169	C	C	.	.	H	α-helix	trans	-53.2	-43.1	175.6	-66.5	-71.3	0	0	0	110.7	A41 D42 P43 E45 L47 Q128 A129 E130 F138 V151	A41-I126 HydrophobicContact CB-CD1 3.8Å; A41-I126 HydrophobicContact CB-CG1 3.92Å; A41-I126 HydrophobicContact CB-CG2 4.41Å; D42-I126 WeakPolarHBondContact O-CB 3.32Å; D42-I126 WeakPolarHBondContact O-CG1 3.49Å; P43-I126 PolarHBondContact O-N 3.41Å; E45-I126 HydrophobicContact CB-CG1 4Å; E45-I126 PolarHBondContact O-N 3.17Å; L47-I126 HydrophobicContact CB-CD1 4.46Å; L47-I126 HydrophobicContact CD1-CD1 3.8Å; L47-I126 HydrophobicContact CD2-CD1 3.66Å; L47-I126 HydrophobicContact CD2-CG1 4.22Å; L47-I126 HydrophobicContact CG-CD1 4.17Å; I126-Q128 PolarHBondContact O-N 2.87Å; I126-A129 PolarHBondContact O-N 2.79Å; I126-E130 HydrophobicContact CG2-CG 4.45Å; I126-E130 WeakPolarHBondContact O-CG 3.49Å; I126-E130 PolarHBondContact O-N 3.05Å; I126-F138 HydrophobicContact CD1-CB 3.68Å; I126-F138 HydrophobicContact CD1-CD2 4.04Å; I126-F138 HydrophobicContact CD1-CG 3.9Å; I126-F138 HydrophobicContact CG2-CB 4.26Å; I126-F138 HydrophobicContact CG2-CD2 4.35Å; I126-V151 HydrophobicContact CD1-CG2 4.19Å
127	R	98.6	Very high	98.4	Very high	133 Å²	133	35.1 Å²	35.1	50%	0.502	18%	0.179	S	C	.	.	H	α-helix	trans	-57	-46.5	175.2	-173.8	-165.7	-61.3	-98.2	1.5	112.2	P43 E44 S125 L131	P43-R127 HydrophobicContact CB-CB 4.12Å; P43-R127 VanDerWaalsContact O-CB 3.31Å; P43-R127 WeakPolarHBondContact O-CB 3.35Å; P43-R127 PolarHBondContact O-N 3.38Å; E44-R127 IonicContact OE1-CZ 3.22Å; E44-R127 VanDerWaalsContact OE1-CZ 3.28Å; E44-R127 IonicContact OE1-NE 2.68Å; E44-R127 PolarHBondContact OE1-NE 2.86Å; E44-R127 IonicContact OE1-NH2 2.79Å; E44-R127 PolarHBondContact OE1-NH2 3.18Å; S125-R127 PolarHBondContact O-N 3.06Å; R127-L131 HydrophobicContact CG-CD1 4.49Å; R127-L131 VanDerWaalsContact O-CG 3.31Å; R127-L131 WeakPolarHBondContact O-CG 3.32Å; R127-L131 PolarHBondContact O-N 2.96Å
128	Q	98.6	Very high	98.4	Very high	57 Å²	57	32 Å²	32	27%	0.266	16%	0.164	S	C	.	.	H	α-helix	trans	-67.2	-43.5	179.2	-71.4	169.4	-14.8	0	0	111.4	A106 L124 S125 I126 E130 L131 L132	A106-Q128 WeakPolarHBondContact O-CG 3.2Å; L124-Q128 HydrophobicContact CB-CB 4.33Å; L124-Q128 HydrophobicContact CD2-CB 3.89Å; S125-Q128 WeakPolarHBondContact O-CB 3.4Å; S125-Q128 PolarHBondContact O-N 3.47Å; S125-Q128 WeakPolarHBondContact OG-CG 3.37Å; S125-Q128 PolarHBondContact OG-N 2.86Å; I126-Q128 PolarHBondContact O-N 2.87Å; Q128-E130 VanDerWaalsContact C-N 3.35Å; Q128-E130 PolarHBondContact O-N 3.17Å; Q128-L131 PolarHBondContact O-N 2.89Å; Q128-L132 VanDerWaalsContact O-CB 3.24Å; Q128-L132 WeakPolarHBondContact O-CB 3.38Å; Q128-L132 PolarHBondContact O-N 3.42Å
129	A	98.6	Very high	98.4	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-62.1	-39.8	-179.8	0	0	0	0	0	112.4	L47 L49 L124 S125 I126 L132 L133 F138	L47-A129 HydrophobicContact CD2-CB 3.85Å; L49-A129 HydrophobicContact CD1-CB 4.04Å; L124-A129 HydrophobicContact CB-CB 4.26Å; L124-A129 HydrophobicContact CD1-CB 4.47Å; S125-A129 PolarHBondContact O-N 2.85Å; I126-A129 PolarHBondContact O-N 2.79Å; A129-L132 WeakPolarHBondContact O-CB 3.42Å; A129-L132 PolarHBondContact O-N 3.02Å; A129-L133 WeakPolarHBondContact O-CB 3.32Å; A129-L133 PolarHBondContact O-N 3.25Å; A129-F138 HydrophobicContact CB-CE2 3.78Å; A129-F138 HydrophobicContact CB-CZ 4.44Å
130	E	98.6	Very high	98.4	Very high	40 Å²	40	35 Å²	35	19%	0.187	18%	0.178	C	C	.	.	H	α-helix	trans	-75.5	-29.6	179.2	-67.5	177.2	169.8	0	0	113.4	R40 I126 Q128 L133 A136 E137 F138	R40-E130 IonicContact CZ-OE1 3.89Å; R40-E130 IonicContact CZ-OE2 3.9Å; R40-E130 IonicContact NH1-OE1 3.35Å; R40-E130 PolarHBondContact NH1-OE1 3.48Å; R40-E130 IonicContact NH1-OE2 3.89Å; R40-E130 IonicContact NH2-OE1 2.99Å; R40-E130 PolarHBondContact NH2-OE1 3.4Å; R40-E130 IonicContact NH2-OE2 2.95Å; R40-E130 PolarHBondContact NH2-OE2 2.98Å; I126-E130 HydrophobicContact CG2-CG 4.45Å; I126-E130 WeakPolarHBondContact O-CG 3.49Å; I126-E130 PolarHBondContact O-N 3.05Å; Q128-E130 VanDerWaalsContact C-N 3.35Å; Q128-E130 PolarHBondContact O-N 3.17Å; E130-L133 CarbonylContact O-C 3.5Å; E130-A136 HydrophobicContact CG-CB 4.5Å; E130-A136 WeakPolarHBondContact CG-O 3.23Å; E130-E137 WeakPolarHBondContact OE1-CA 3.47Å; E130-F138 HydrophobicContact CG-CD2 3.67Å; E130-F138 HydrophobicContact CG-CE2 3.99Å; E130-F138 PolarHBondContact OE1-N 3.36Å
131	L	98	Very high	98.4	Very high	136 Å²	136	34.9 Å²	34.9	71%	0.712	18%	0.176	S	C	*	.	H	α-helix	trans	-69.7	-38.8	168.6	-71.9	173.4	0	0	0	111.6	R127 Q128 L133	R127-L131 HydrophobicContact CG-CD1 4.49Å; R127-L131 VanDerWaalsContact O-CG 3.31Å; R127-L131 WeakPolarHBondContact O-CG 3.32Å; R127-L131 PolarHBondContact O-N 2.96Å; Q128-L131 PolarHBondContact O-N 2.89Å; L131-L133 VanDerWaalsContact C-N 3.33Å
132	L	98.2	Very high	98.3	Very high	10 Å²	10	35.2 Å²	35.2	5%	0.052	18%	0.178	C	C	.	.	H	α-helix	trans	-65.2	-37.7	177.6	-177.6	63.4	0	0	0	112	F51 W102 L103 A106 L124 Q128 A129 P134	F51-L132 HydrophobicContact CE1-CD2 4.1Å; F51-L132 HydrophobicContact CZ-CD2 3.8Å; W102-L132 HydrophobicContact CD2-CD1 3.87Å; W102-L132 HydrophobicContact CE3-CD1 4.48Å; W102-L132 HydrophobicContact CG-CD1 4.42Å; W102-L132 HydrophobicContact CH2-CD1 3.9Å; W102-L132 HydrophobicContact CH2-CD2 4.19Å; W102-L132 HydrophobicContact CH2-CG 3.95Å; W102-L132 HydrophobicContact CZ2-CD1 3.17Å; W102-L132 HydrophobicContact CZ2-CD2 4.23Å; W102-L132 HydrophobicContact CZ2-CG 3.52Å; W102-L132 HydrophobicContact CZ3-CD1 4.5Å; W102-L132 VanDerWaalsContact NE1-CD1 3.27Å; L103-L132 HydrophobicContact CD2-CD2 3.81Å; A106-L132 HydrophobicContact CB-CB 4.36Å; A106-L132 HydrophobicContact CB-CD1 3.55Å; A106-L132 HydrophobicContact CB-CD2 4.44Å; A106-L132 HydrophobicContact CB-CG 4.35Å; L124-L132 HydrophobicContact CD1-CD2 3.74Å; L124-L132 HydrophobicContact CD2-CD2 4.48Å; Q128-L132 VanDerWaalsContact O-CB 3.24Å; Q128-L132 WeakPolarHBondContact O-CB 3.38Å; Q128-L132 PolarHBondContact O-N 3.42Å; A129-L132 WeakPolarHBondContact O-CB 3.42Å; A129-L132 PolarHBondContact O-N 3.02Å; L132-P134 WeakPolarHBondContact O-CD 3.5Å
133	L	98.3	Very high	98.1	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.18	C	C	.	.	S	Bend	trans	-123.3	73.9	-172.7	-55.7	176.3	0	0	0	110.6	L49 W102 A129 E130 L131 G135 A136 Y157 L159 V170 L173	L49-L133 HydrophobicContact CD1-CD1 3.95Å; W102-L133 HydrophobicContact CH2-CD2 4.1Å; W102-L133 HydrophobicContact CZ2-CD2 4.23Å; A129-L133 WeakPolarHBondContact O-CB 3.32Å; A129-L133 PolarHBondContact O-N 3.25Å; E130-L133 CarbonylContact O-C 3.5Å; L131-L133 VanDerWaalsContact C-N 3.33Å; L133-G135 PolarHBondContact O-N 3.19Å; L133-A136 HydrophobicContact CB-CB 4.11Å; L133-A136 VanDerWaalsContact O-CB 3.22Å; L133-A136 WeakPolarHBondContact O-CB 3.46Å; L133-A136 PolarHBondContact O-N 3.29Å; L133-Y157 HydrophobicContact CB-CD2 4.28Å; L133-Y157 HydrophobicContact CD2-CD2 3.99Å; L133-Y157 HydrophobicContact CD2-CE2 4.4Å; L133-L159 HydrophobicContact CD2-CD2 3.52Å; L133-V170 HydrophobicContact CD1-CB 4.4Å; L133-V170 HydrophobicContact CD1-CG1 4.08Å; L133-V170 HydrophobicContact CD1-CG2 4.39Å; L133-V170 HydrophobicContact CD2-CG2 4Å; L133-L173 HydrophobicContact CD1-CD1 4.32Å; L133-L173 HydrophobicContact CD1-CD2 4.06Å; L133-L173 HydrophobicContact CD1-CG 4.46Å
134	P	98.3	Very high	97.8	Very high	65 Å²	65	32 Å²	32	42%	0.422	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53	129.6	-175.2	-27.4	34.8	0	0	0	112.7	L132 Y157 Q158	L132-P134 WeakPolarHBondContact O-CD 3.5Å; P134-Y157 CarbonylContact O-C 3.57Å; P134-Q158 WeakPolarHBondContact CD-O 3.35Å; P134-Q158 PolarHBondContact O-N 3.39Å
135	G	97.4	Very high	97.3	Very high	40 Å²	40	35.5 Å²	35.5	41%	0.412	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	101.6	-24	-176.1	0	0	0	0	0	113.8	L133 R155 P156	L133-G135 PolarHBondContact O-N 3.19Å; G135-R155 WeakPolarHBondContact O-CB 3.43Å; G135-P156 CarbonylContact C-O 3.56Å; G135-P156 WeakPolarHBondContact CA-O 3.32Å
136	A	98.3	Very high	96.8	Very high	8 Å²	8	38 Å²	38	7%	0.066	21%	0.213	C	C	.	.			trans	-61	138.1	170.7	0	0	0	0	0	110.6	E130 L133 F138 L173	E130-A136 HydrophobicContact CG-CB 4.5Å; E130-A136 WeakPolarHBondContact CG-O 3.23Å; L133-A136 HydrophobicContact CB-CB 4.11Å; L133-A136 VanDerWaalsContact O-CB 3.22Å; L133-A136 WeakPolarHBondContact O-CB 3.46Å; L133-A136 PolarHBondContact O-N 3.29Å; A136-F138 HydrophobicContact CB-CE2 4.1Å; A136-F138 HydrophobicContact CB-CZ 4.43Å; A136-L173 HydrophobicContact CB-CD1 4.02Å
137	E	98.4	Very high	96.5	Very high	44 Å²	44	44.3 Å²	44.3	21%	0.206	24%	0.242	C	C	.	.			trans	-143.4	101.6	175.6	-173.3	-174.6	103.6	0	0	108.2	E130 H139 S153 P154 R155	E130-E137 WeakPolarHBondContact OE1-CA 3.47Å; E137-H139 PolarHBondContact O-CD2 3.42Å; E137-H139 IonicContact OE1-CD2 3.89Å; E137-H139 IonicContact OE1-CE1 3.31Å; E137-H139 IonicContact OE1-NE2 3.82Å; E137-H139 PolarHBondContact OE1-NE2 2.84Å; E137-S153 PolarHBondContact N-OG 3.31Å; E137-S153 WeakPolarHBondContact O-CA 3.31Å; E137-S153 PolarHBondContact O-OG 2.94Å; E137-P154 WeakPolarHBondContact O-CD 3.49Å; E137-R155 IonicContact OE2-CZ 3.82Å; E137-R155 IonicContact OE2-NE 3.8Å; E137-R155 IonicContact OE2-NH1 3.97Å; E137-R155 PolarHBondContact OE2-NH1 3.26Å; E137-R155 IonicContact OE2-NH2 2.84Å; E137-R155 PolarHBondContact OE2-NH2 3.26Å
138	F	98.7	Very high	96.2	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	22%	0.221	C	C	.	.			trans	-81.6	130.1	-170.5	-71.2	-77	0	0	0	113.2	R40 A41 L47 L49 I126 A129 E130 A136 V151 R152 L173	R40-F138 WeakPolarHBondContact CD-O 3.32Å; R40-F138 PolarHBondContact NH1-O 2.82Å; A41-F138 HydrophobicContact CB-CB 4.18Å; A41-F138 PolarHBondContact N-O 2.71Å; L47-F138 HydrophobicContact CD1-CD1 3.87Å; L47-F138 HydrophobicContact CD1-CD2 4.33Å; L47-F138 HydrophobicContact CD1-CE1 3.65Å; L47-F138 HydrophobicContact CD1-CE2 4.14Å; L47-F138 HydrophobicContact CD1-CG 4.21Å; L47-F138 HydrophobicContact CD1-CZ 3.8Å; L49-F138 HydrophobicContact CD1-CZ 4.32Å; L49-F138 HydrophobicContact CD2-CZ 4.41Å; I126-F138 HydrophobicContact CD1-CB 3.68Å; I126-F138 HydrophobicContact CD1-CD2 4.04Å; I126-F138 HydrophobicContact CD1-CG 3.9Å; I126-F138 HydrophobicContact CG2-CB 4.26Å; I126-F138 HydrophobicContact CG2-CD2 4.35Å; A129-F138 HydrophobicContact CB-CE2 3.78Å; A129-F138 HydrophobicContact CB-CZ 4.44Å; E130-F138 HydrophobicContact CG-CD2 3.67Å; E130-F138 HydrophobicContact CG-CE2 3.99Å; E130-F138 PolarHBondContact OE1-N 3.36Å; A136-F138 HydrophobicContact CB-CE2 4.1Å; A136-F138 HydrophobicContact CB-CZ 4.43Å; F138-V151 HydrophobicContact CB-CG2 3.79Å; F138-V151 HydrophobicContact CD1-CG2 4.1Å; F138-V151 HydrophobicContact CG-CG2 4.31Å; F138-R152 WeakPolarHBondContact CA-O 3.45Å; F138-L173 HydrophobicContact CE1-CD1 3.94Å; F138-L173 HydrophobicContact CE1-CD2 4.44Å; F138-L173 HydrophobicContact CZ-CD1 3.7Å; F138-L173 HydrophobicContact CZ-CD2 4.23Å
139	H	98.6	Very high	96.1	Very high	33 Å²	33	38 Å²	38	15%	0.153	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	151.9	173.4	-71.2	-112	0	0	0	110	G39 E137 Y141 V151 R152	G39-H139 CarbonylContact O-C 3.41Å; G39-H139 VanDerWaalsContact O-CA 3.26Å; G39-H139 WeakPolarHBondContact O-CA 3.34Å; G39-H139 WeakPolarHBondContact O-CB 3.42Å; E137-H139 PolarHBondContact O-CD2 3.42Å; E137-H139 IonicContact OE1-CD2 3.89Å; E137-H139 IonicContact OE1-CE1 3.31Å; E137-H139 IonicContact OE1-NE2 3.82Å; E137-H139 PolarHBondContact OE1-NE2 2.84Å; H139-Y141 HydrophobicContact CB-CD2 4.46Å; H139-Y141 HydrophobicContact CB-CE2 3.65Å; H139-Y141 WeakPolarHBondContact O-CD2 3.39Å; H139-Y141 WeakPolarHBondContact O-CE2 3.49Å; H139-V151 CarbonylContact O-C 3.53Å; H139-V151 WeakPolarHBondContact O-CA 3.37Å; H139-R152 PolarHBondContact N-O 2.91Å; H139-R152 PolarHBondContact O-N 3.2Å
140	H	98.4	Very high	96	Very high	31 Å²	31	38.2 Å²	38.2	14%	0.144	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	138.3	171.6	-73.8	-60.9	0	0	0	110.5	L38 G39 E45 E299	L38-H140 HydrophobicContact CB-CB 3.96Å; L38-H140 PolarHBondContact N-O 2.85Å; G39-H140 PolarHBondContact O-N 2.81Å; E45-H140 IonicContact OE1-NE2 3.43Å; E45-H140 PolarHBondContact OE1-NE2 3.4Å; E45-H140 IonicContact OE2-CE1 3.37Å; E45-H140 PolarHBondContact OE2-CE1 2.97Å; E45-H140 IonicContact OE2-NE2 2.67Å; E45-H140 PolarHBondContact OE2-NE2 3.16Å; H140-E299 IonicContact CE1-OE2 2.7Å; H140-E299 PolarHBondContact CE1-OE2 2.76Å; H140-E299 IonicContact ND1-OE2 3.1Å; H140-E299 PolarHBondContact ND1-OE2 2.99Å
141	Y	98.2	Very high	96	Very high	15 Å²	15	36.5 Å²	36.5	6%	0.059	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	148.3	176	-58.5	-93	0	0	0	110.6	L31 V36 H139 H149 V150 R152 F176	L31-Y141 HydrophobicContact CD1-CD1 3.51Å; L31-Y141 HydrophobicContact CD1-CE1 3.69Å; V36-Y141 VanDerWaalsContact O-CA 3.26Å; V36-Y141 WeakPolarHBondContact O-CA 3.34Å; H139-Y141 HydrophobicContact CB-CD2 4.46Å; H139-Y141 HydrophobicContact CB-CE2 3.65Å; H139-Y141 WeakPolarHBondContact O-CD2 3.39Å; H139-Y141 WeakPolarHBondContact O-CE2 3.49Å; Y141-H149 WeakPolarHBondContact O-CA 3.38Å; Y141-V150 HydrophobicContact CD2-CG2 4.47Å; Y141-V150 PolarHBondContact N-O 3.24Å; Y141-V150 PolarHBondContact O-N 3.48Å; Y141-R152 HydrophobicContact CD2-CB 4Å; Y141-R152 HydrophobicContact CE2-CB 3.82Å; Y141-R152 WeakPolarHBondContact CE2-O 3.2Å; Y141-F176 HydrophobicContact CD1-CE1 4.11Å; Y141-F176 HydrophobicContact CD1-CZ 4Å; Y141-F176 HydrophobicContact CD2-CE1 4.06Å; Y141-F176 AromaticContact CD2-CZ 3.93Å; Y141-F176 HydrophobicContact CD2-CZ 3.93Å; Y141-F176 HydrophobicContact CE1-CZ 4.26Å; Y141-F176 HydrophobicContact CE2-CZ 4.2Å; Y141-F176 AromaticContact CG-CE1 3.7Å; Y141-F176 HydrophobicContact CG-CE1 3.7Å; Y141-F176 AromaticContact CG-CZ 3.83Å; Y141-F176 HydrophobicContact CG-CZ 3.83Å
142	V	97.2	Very high	96	Very high	23 Å²	23	30 Å²	30	14%	0.139	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	142.5	170.4	66.1	0	0	0	0	109.5	W35 V36 L38 E147 T148	W35-V142 CarbonylContact C-O 3.58Å; W35-V142 WeakPolarHBondContact CA-O 3.11Å; V36-V142 HydrophobicContact CB-CG1 4.45Å; V36-V142 PolarHBondContact N-O 3.49Å; V36-V142 PolarHBondContact O-N 2.68Å; L38-V142 HydrophobicContact CD1-CB 3.99Å; L38-V142 HydrophobicContact CD1-CG1 4.01Å; L38-V142 HydrophobicContact CD2-CG1 3.72Å; L38-V142 HydrophobicContact CG-CB 4.36Å; L38-V142 HydrophobicContact CG-CG1 3.94Å; V142-E147 HydrophobicContact CG2-CB 3.7Å; V142-E147 HydrophobicContact CG2-CG 4.3Å; V142-T148 CarbonylContact C-O 3.12Å; V142-T148 VanDerWaalsContact CA-O 3.29Å; V142-T148 WeakPolarHBondContact CA-O 3.24Å
143	G	93.7	Very high	96	Very high	4 Å²	4	29.7 Å²	29.7	4%	0.041	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	155.1	179.9	0	0	0	0	0	114.9	G34 T148	G34-G143 WeakPolarHBondContact O-CA 3.47Å; G143-T148 PolarHBondContact N-O 2.92Å; G143-T148 PolarHBondContact O-N 3.44Å
144	G	91.6	Very high	96	Very high	25 Å²	25	32.2 Å²	32.2	26%	0.258	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.8	176.7	174.9	0	0	0	0	0	115.3	G34 T146 E147	G34-G144 PolarHBondContact O-N 2.85Å; G144-T146 PolarHBondContact O-N 2.7Å; G144-E147 PolarHBondContact O-N 2.92Å
145	P	88.8	Confident	96	Very high	73 Å²	73	35.5 Å²	35.5	47%	0.474	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-20.4	-173.2	-20.9	34.9	0	0	0	114.8	S180 L182	P145-S180 WeakPolarHBondContact CD-OG 3.34Å; P145-S180 WeakPolarHBondContact CG-OG 3.43Å; P145-L182 HydrophobicContact CG-CD2 3.64Å; P145-L182 HydrophobicContact CG-CG 4.48Å
146	T	88.7	Confident	96	Very high	60 Å²	60	36.5 Å²	36.5	37%	0.368	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.2	8.4	-178.3	50.3	0	0	0	0	112.7	G144 T148	G144-T146 PolarHBondContact O-N 2.7Å; T146-T148 PolarHBondContact O-N 3Å
147	E	91.8	Very high	96	Very high	134 Å²	134	36.1 Å²	36.1	63%	0.626	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.7	52.1	178.9	-58.7	-175.7	123.5	0	0	112.9	V142 G144 H149	V142-E147 HydrophobicContact CG2-CB 3.7Å; V142-E147 HydrophobicContact CG2-CG 4.3Å; G144-E147 PolarHBondContact O-N 2.92Å; E147-H149 PolarHBondContact O-CD2 2.94Å; E147-H149 PolarHBondContact O-N 3.01Å
148	T	92.5	Very high	96	Very high	9 Å²	9	37.7 Å²	37.7	6%	0.055	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	125.3	175.3	-52.1	0	0	0	0	109.6	W35 V142 G143 T146 P177 E232	W35-T148 HydrophobicContact CH2-CG2 4.03Å; W35-T148 VanDerWaalsContact CZ3-O 3.29Å; W35-T148 WeakPolarHBondContact CZ3-O 3.28Å; V142-T148 CarbonylContact C-O 3.12Å; V142-T148 VanDerWaalsContact CA-O 3.29Å; V142-T148 WeakPolarHBondContact CA-O 3.24Å; G143-T148 PolarHBondContact N-O 2.92Å; G143-T148 PolarHBondContact O-N 3.44Å; T146-T148 PolarHBondContact O-N 3Å; T148-P177 HydrophobicContact CG2-CG 3.78Å; T148-E232 HydrophobicContact CG2-CB 4.36Å; T148-E232 VanDerWaalsContact OG1-CB 3.26Å; T148-E232 WeakPolarHBondContact OG1-CB 3.42Å
149	H	95.4	Very high	96	Very high	48 Å²	48	37.7 Å²	37.7	22%	0.222	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	136.8	-179.4	-75.7	-91.4	0	0	0	112.1	Y141 E147 R297 E299	Y141-H149 WeakPolarHBondContact O-CA 3.38Å; E147-H149 PolarHBondContact O-CD2 2.94Å; E147-H149 PolarHBondContact O-N 3.01Å; H149-R297 PolarHBondContact CD2-NH2 3.09Å; H149-R297 PolarHBondContact NE2-NH2 3.3Å; H149-R297 VanDerWaalsContact NE2-NH2 3.19Å; H149-E299 HydrophobicContact CB-CG 4.15Å
150	V	96.8	Very high	95.9	Very high	5 Å²	5	38.5 Å²	38.5	3%	0.03	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	158.1	172.2	-60.4	0	0	0	0	112.2	W35 Y141 R152 F176 P177 E299	W35-V150 HydrophobicContact CE3-CG2 4.36Å; W35-V150 HydrophobicContact CH2-CG1 4.08Å; W35-V150 HydrophobicContact CH2-CG2 4.01Å; W35-V150 HydrophobicContact CZ3-CG1 4.38Å; W35-V150 HydrophobicContact CZ3-CG2 3.58Å; Y141-V150 HydrophobicContact CD2-CG2 4.47Å; Y141-V150 PolarHBondContact N-O 3.24Å; Y141-V150 PolarHBondContact O-N 3.48Å; V150-R152 HydrophobicContact CB-CG 4.29Å; V150-R152 HydrophobicContact CG2-CG 3.8Å; V150-F176 HydrophobicContact CG2-CD1 3.79Å; V150-F176 HydrophobicContact CG2-CE1 3.71Å; V150-P177 HydrophobicContact CG1-CG 3.76Å; V150-E299 WeakPolarHBondContact CA-O 3.23Å
151	V	98.1	Very high	95.8	Very high	4 Å²	4	41.2 Å²	41.2	2%	0.024	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	121.4	167.7	68.1	0	0	0	0	109	A41 L47 I126 F138 H139 E299	A41-V151 HydrophobicContact CB-CG2 3.97Å; L47-V151 HydrophobicContact CB-CG1 4.21Å; L47-V151 HydrophobicContact CD1-CG1 4.02Å; I126-V151 HydrophobicContact CD1-CG2 4.19Å; F138-V151 HydrophobicContact CB-CG2 3.79Å; F138-V151 HydrophobicContact CD1-CG2 4.1Å; F138-V151 HydrophobicContact CG-CG2 4.31Å; H139-V151 CarbonylContact O-C 3.53Å; H139-V151 WeakPolarHBondContact O-CA 3.37Å; V151-E299 HydrophobicContact CB-CB 4.31Å; V151-E299 HydrophobicContact CG1-CB 4.07Å; V151-E299 PolarHBondContact N-O 2.77Å
152	R	98.3	Very high	95.8	Very high	0 Å²	0	44 Å²	44	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	161	-174.4	-66.2	-65.4	-179.9	-87	-3.5	111.5	F138 H139 Y141 V150 G172 L173 R175 F176 E299 Q301	F138-R152 WeakPolarHBondContact CA-O 3.45Å; H139-R152 PolarHBondContact N-O 2.91Å; H139-R152 PolarHBondContact O-N 3.2Å; Y141-R152 HydrophobicContact CD2-CB 4Å; Y141-R152 HydrophobicContact CE2-CB 3.82Å; Y141-R152 WeakPolarHBondContact CE2-O 3.2Å; V150-R152 HydrophobicContact CB-CG 4.29Å; V150-R152 HydrophobicContact CG2-CG 3.8Å; R152-G172 WeakPolarHBondContact CD-O 3.35Å; R152-G172 PolarHBondContact NH1-O 3.14Å; R152-L173 WeakPolarHBondContact CD-O 3.38Å; R152-R175 PolarHBondContact NE-O 2.97Å; R152-R175 PolarHBondContact NH2-O 3.04Å; R152-F176 HydrophobicContact CB-CE2 4.34Å; R152-F176 HydrophobicContact CB-CZ 4.12Å; R152-F176 HydrophobicContact CG-CE1 4.39Å; R152-F176 HydrophobicContact CG-CE2 4.26Å; R152-F176 HydrophobicContact CG-CZ 4.13Å; R152-E299 PolarHBondContact NH1-O 3Å; R152-Q301 PolarHBondContact NH2-O 3Å
153	S	98.4	Very high	95.8	Very high	3 Å²	3	43.1 Å²	43.1	2%	0.021	24%	0.243	C	C	.	.			trans	-103.7	122.9	172.8	179.5	0	0	0	0	110.9	E137 R155 L173 H174	E137-S153 PolarHBondContact N-OG 3.31Å; E137-S153 WeakPolarHBondContact O-CA 3.31Å; E137-S153 PolarHBondContact O-OG 2.94Å; S153-R155 PolarHBondContact O-N 3.05Å; S153-R155 PolarHBondContact OG-N 3.44Å; S153-R155 PolarHBondContact OG-O 3.25Å; S153-L173 PolarHBondContact N-O 3.46Å; S153-H174 PolarHBondContact O-ND1 3.02Å
154	P	97.8	Very high	96	Very high	53 Å²	53	44.4 Å²	44.4	34%	0.344	25%	0.253	S	S	.	.	S	Bend	trans	-76.2	-12.7	170.8	32.3	-32	0	0	0	112	E137	E137-P154 WeakPolarHBondContact O-CD 3.49Å
155	R	97.9	Very high	96.3	Very high	134 Å²	134	46.3 Å²	46.3	51%	0.506	26%	0.261	S	S	.	.	S	Bend	trans	-100.5	145.5	179.1	-66.9	-174.1	179.9	177.6	7.5	111.1	G135 E137 S153 H174	G135-R155 WeakPolarHBondContact O-CB 3.43Å; E137-R155 IonicContact OE2-CZ 3.82Å; E137-R155 IonicContact OE2-NE 3.8Å; E137-R155 IonicContact OE2-NH1 3.97Å; E137-R155 PolarHBondContact OE2-NH1 3.26Å; E137-R155 IonicContact OE2-NH2 2.84Å; E137-R155 PolarHBondContact OE2-NH2 3.26Å; S153-R155 PolarHBondContact O-N 3.05Å; S153-R155 PolarHBondContact OG-N 3.44Å; S153-R155 PolarHBondContact OG-O 3.25Å; R155-H174 PolarHBondContact O-CE1 3.44Å
156	P	97.7	Very high	96.8	Very high	61 Å²	61	43.6 Å²	43.6	40%	0.396	24%	0.242	S	C	.	.			trans	-65.6	152.5	173.4	30.8	-35.4	0	0	0	110.5	G135	G135-P156 CarbonylContact C-O 3.56Å; G135-P156 WeakPolarHBondContact CA-O 3.32Å
157	Y	98.4	Very high	97.3	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.224	C	C	.	.			trans	-109.2	167.3	174.5	71.2	-78.9	0	0	0	111.1	S22 P23 E24 L133 P134 L159 V170 L173 H174	S22-Y157 PolarHBondContact OG-O 2.85Å; P23-Y157 HydrophobicContact CG-CD2 4.32Å; P23-Y157 HydrophobicContact CG-CE1 4.27Å; P23-Y157 HydrophobicContact CG-CE2 3.41Å; P23-Y157 VanDerWaalsContact CG-CE2 3.41Å; P23-Y157 VanDerWaalsContact CG-OH 3.25Å; P23-Y157 WeakPolarHBondContact CG-OH 3.12Å; E24-Y157 HydrophobicContact CB-CE1 4.49Å; E24-Y157 VanDerWaalsContact OE2-CE1 3.23Å; E24-Y157 WeakPolarHBondContact OE2-CE1 3.44Å; E24-Y157 PolarHBondContact OE2-OH 2.94Å; L133-Y157 HydrophobicContact CB-CD2 4.28Å; L133-Y157 HydrophobicContact CD2-CD2 3.99Å; L133-Y157 HydrophobicContact CD2-CE2 4.4Å; P134-Y157 CarbonylContact O-C 3.57Å; Y157-L159 HydrophobicContact CD2-CD2 4.5Å; Y157-L159 HydrophobicContact CD2-CG 4.46Å; Y157-L159 HydrophobicContact CE2-CD1 4.46Å; Y157-L159 HydrophobicContact CE2-CD2 4.31Å; Y157-L159 HydrophobicContact CE2-CG 4.12Å; Y157-V170 HydrophobicContact CE2-CB 4.18Å; Y157-V170 HydrophobicContact CE2-CG2 3.88Å; Y157-V170 PolarHBondContact OH-N 3Å; Y157-L173 HydrophobicContact CD1-CB 4.35Å; Y157-L173 HydrophobicContact CD1-CD1 4.09Å; Y157-L173 HydrophobicContact CD1-CG 3.94Å; Y157-L173 HydrophobicContact CE1-CB 4.25Å; Y157-L173 HydrophobicContact CE1-CG 4.06Å; Y157-L173 HydrophobicContact CG-CD1 4.33Å; Y157-L173 HydrophobicContact CG-CG 4.43Å; Y157-H174 AromaticContact CD1-NE2 3.37Å; Y157-H174 WeakPolarHBondContact CD1-NE2 3.47Å; Y157-H174 AromaticContact CE1-NE2 3.59Å
158	Q	98.4	Very high	97.6	Very high	76 Å²	76	35.6 Å²	35.6	36%	0.355	20%	0.201	S	C	.	.			trans	-128.6	151.3	177.1	-58.2	-173.1	40.3	0	0	111.7	S20 Y21 P134	S20-Q158 VanDerWaalsContact CB-OE1 3.24Å; S20-Q158 PolarHBondContact OG-OE1 2.82Å; Y21-Q158 CarbonylContact O-C 3.55Å; Y21-Q158 VanDerWaalsContact O-CA 3.24Å; Y21-Q158 WeakPolarHBondContact O-CA 3.25Å; P134-Q158 WeakPolarHBondContact CD-O 3.35Å; P134-Q158 PolarHBondContact O-N 3.39Å
159	L	98.2	Very high	97.9	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	146.3	169.2	-64.1	176.6	0	0	0	110	S20 Y21 P23 W102 L133 Y157 V167 V170	S20-L159 CarbonylContact C-O 3.58Å; S20-L159 VanDerWaalsContact CA-O 3.24Å; S20-L159 WeakPolarHBondContact CA-O 3.31Å; S20-L159 WeakPolarHBondContact CB-O 3.47Å; Y21-L159 HydrophobicContact CD1-CB 4.47Å; Y21-L159 WeakPolarHBondContact CD1-O 3.44Å; Y21-L159 HydrophobicContact CE1-CB 3.8Å; Y21-L159 PolarHBondContact N-O 2.84Å; Y21-L159 PolarHBondContact O-N 3.39Å; P23-L159 HydrophobicContact CB-CD1 4.32Å; P23-L159 HydrophobicContact CG-CD1 3.9Å; P23-L159 HydrophobicContact CG-CG 4.22Å; W102-L159 HydrophobicContact CH2-CD2 3.76Å; W102-L159 HydrophobicContact CZ2-CD2 3.9Å; L133-L159 HydrophobicContact CD2-CD2 3.52Å; Y157-L159 HydrophobicContact CD2-CD2 4.5Å; Y157-L159 HydrophobicContact CD2-CG 4.46Å; Y157-L159 HydrophobicContact CE2-CD1 4.46Å; Y157-L159 HydrophobicContact CE2-CD2 4.31Å; Y157-L159 HydrophobicContact CE2-CG 4.12Å; L159-V167 HydrophobicContact CD1-CB 4.07Å; L159-V167 HydrophobicContact CD1-CG1 3.85Å; L159-V170 HydrophobicContact CD2-CG2 4.43Å
160	P	97.8	Very high	98	Very high	51 Å²	51	32.9 Å²	32.9	33%	0.331	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-49.8	137.6	164.4	-26.1	28.6	0	0	0	111.9	A162 L163	P160-A162 PolarHBondContact O-N 2.95Å; P160-L163 HydrophobicContact CB-CD1 4.32Å; P160-L163 HydrophobicContact CG-CD1 4Å; P160-L163 WeakPolarHBondContact O-CB 3.49Å; P160-L163 PolarHBondContact O-N 2.78Å
161	Q	96.6	Very high	98.1	Very high	88 Å²	88	32.8 Å²	32.8	41%	0.411	19%	0.187	S	C	.	.	G	3₁₀ helix	trans	-53.9	-30.4	175	-80.9	-62.6	-22.6	0	0	113.4	C19 L163 A164	C19-Q161 VanDerWaalsContact C-CG 3.47Å; C19-Q161 HydrophobicContact CB-CB 4.11Å; C19-Q161 HydrophobicContact CB-CG 3.34Å; C19-Q161 WeakPolarHBondContact O-CB 3.07Å; C19-Q161 VanDerWaalsContact O-CG 3.26Å; C19-Q161 WeakPolarHBondContact O-CG 3.38Å; C19-Q161 PolarHBondContact O-N 3.05Å; Q161-L163 PolarHBondContact O-N 3.35Å; Q161-L163 VanDerWaalsContact O-N 3.1Å; Q161-A164 VanDerWaalsContact O-CB 3.24Å; Q161-A164 WeakPolarHBondContact O-CB 3.17Å; Q161-A164 PolarHBondContact O-N 3.33Å
162	A	97	Very high	98	Very high	74 Å²	74	32.6 Å²	32.6	61%	0.612	19%	0.186	S	C	*	.	G	3₁₀ helix	trans	-60.2	-18.3	175.4	0	0	0	0	0	113.8	P160 H166	P160-A162 PolarHBondContact O-N 2.95Å; A162-H166 PolarHBondContact O-CD2 2.79Å
163	L	98.1	Very high	97.9	Very high	4 Å²	4	32.6 Å²	32.6	2%	0.021	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-97.3	-5.9	177.2	-68.2	165.2	0	0	0	113.8	T98 V99 W102 P160 Q161 P165 H166 V167	T98-L163 HydrophobicContact CG2-CD2 4.05Å; V99-L163 HydrophobicContact CG2-CD2 4.09Å; W102-L163 HydrophobicContact CD2-CD1 3.42Å; W102-L163 VanDerWaalsContact CD2-CD1 3.42Å; W102-L163 HydrophobicContact CD2-CD2 4.31Å; W102-L163 HydrophobicContact CE3-CD1 3.85Å; W102-L163 HydrophobicContact CE3-CD2 4.31Å; W102-L163 HydrophobicContact CG-CD1 3.85Å; W102-L163 HydrophobicContact CG-CD2 4.45Å; W102-L163 HydrophobicContact CH2-CD1 4.06Å; W102-L163 HydrophobicContact CZ2-CD1 3.64Å; W102-L163 HydrophobicContact CZ3-CD1 4.15Å; P160-L163 HydrophobicContact CB-CD1 4.32Å; P160-L163 HydrophobicContact CG-CD1 4Å; P160-L163 WeakPolarHBondContact O-CB 3.49Å; P160-L163 PolarHBondContact O-N 2.78Å; Q161-L163 PolarHBondContact O-N 3.35Å; Q161-L163 VanDerWaalsContact O-N 3.1Å; L163-P165 VanDerWaalsContact C-N 3.3Å; L163-H166 HydrophobicContact CD2-CB 4.33Å; L163-H166 WeakPolarHBondContact O-CA 3.46Å; L163-H166 PolarHBondContact O-N 2.84Å; L163-V167 HydrophobicContact CB-CG2 4.45Å; L163-V167 HydrophobicContact CD2-CG2 4.29Å; L163-V167 PolarHBondContact O-N 3.22Å
164	A	97.4	Very high	97.9	Very high	30 Å²	30	32.6 Å²	32.6	25%	0.248	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.1	-39.6	174	0	0	0	0	0	114.8	Y21 R54 Q161 H166	Y21-A164 HydrophobicContact CD1-CB 4.36Å; Y21-A164 HydrophobicContact CE1-CB 3.69Å; Y21-A164 VanDerWaalsContact OH-CA 3.24Å; Y21-A164 WeakPolarHBondContact OH-CA 3.44Å; Y21-A164 PolarHBondContact OH-N 3.08Å; R54-A164 PolarHBondContact NH1-O 2.66Å; R54-A164 PolarHBondContact NH2-O 3.28Å; Q161-A164 VanDerWaalsContact O-CB 3.24Å; Q161-A164 WeakPolarHBondContact O-CB 3.17Å; Q161-A164 PolarHBondContact O-N 3.33Å; A164-H166 VanDerWaalsContact C-N 3.29Å; A164-H166 PolarHBondContact O-N 3.45Å
165	P	98.2	Very high	97.9	Very high	66 Å²	66	30.5 Å²	30.5	43%	0.429	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	1.5	176.1	32	-33.4	0	0	0	114.2	R54 L163	R54-P165 VanDerWaalsContact CB-O 3.3Å; R54-P165 WeakPolarHBondContact CB-O 3.48Å; R54-P165 WeakPolarHBondContact CG-O 3.21Å; L163-P165 VanDerWaalsContact C-N 3.3Å
166	H	98.7	Very high	97.7	Very high	16 Å²	16	25.4 Å²	25.4	7%	0.074	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-125.8	-28.2	-165.1	-60.2	-43.2	0	0	0	114.6	L53 R54 T95 V99 A162 L163 A164	L53-H166 WeakPolarHBondContact CA-O 3.06Å; R54-H166 PolarHBondContact N-O 3.19Å; T95-H166 WeakPolarHBondContact CA-ND1 3.31Å; T95-H166 HydrophobicContact CG2-CB 3.97Å; T95-H166 WeakPolarHBondContact CG2-O 3.38Å; T95-H166 PolarHBondContact OG1-ND1 3.49Å; V99-H166 HydrophobicContact CG2-CB 3.92Å; A162-H166 PolarHBondContact O-CD2 2.79Å; L163-H166 HydrophobicContact CD2-CB 4.33Å; L163-H166 WeakPolarHBondContact O-CA 3.46Å; L163-H166 PolarHBondContact O-N 2.84Å; A164-H166 VanDerWaalsContact C-N 3.29Å; A164-H166 PolarHBondContact O-N 3.45Å
167	V	98.8	Very high	97.5	Very high	1 Å²	1	23 Å²	23	1%	0.006	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	130.1	-178.2	-179.4	0	0	0	0	109.2	A52 V99 L159 L163	A52-V167 WeakPolarHBondContact O-CA 3.07Å; V99-V167 HydrophobicContact CG2-CG2 3.74Å; L159-V167 HydrophobicContact CD1-CB 4.07Å; L159-V167 HydrophobicContact CD1-CG1 3.85Å; L163-V167 HydrophobicContact CB-CG2 4.45Å; L163-V167 HydrophobicContact CD2-CG2 4.29Å; L163-V167 PolarHBondContact O-N 3.22Å
168	D	98.6	Very high	97	Very high	25 Å²	25	25 Å²	25	13%	0.134	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	-53.1	175	-60.4	-28.6	0	0	0	110	P23 A52 R54 R339	P23-D168 WeakPolarHBondContact CB-O 3.49Å; A52-D168 HydrophobicContact CB-CB 4.16Å; A52-D168 PolarHBondContact O-N 3.08Å; R54-D168 IonicContact CZ-OD1 3.92Å; R54-D168 IonicContact NE-OD1 3.2Å; R54-D168 PolarHBondContact NE-OD1 3.2Å; R54-D168 IonicContact NH2-OD1 3.54Å; R54-D168 PolarHBondContact NH2-OD1 3.4Å; D168-R339 IonicContact OD2-CZ 3.53Å; D168-R339 IonicContact OD2-NH1 3.4Å; D168-R339 PolarHBondContact OD2-NH1 3.23Å
169	F	98.7	Very high	96.4	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.6	175.2	176.5	68.2	-92.5	0	0	0	111.7	E24 A52 L305 A335 Y336 R339	E24-F169 HydrophobicContact CG-CB 4Å; A52-F169 HydrophobicContact CB-CD1 3.75Å; A52-F169 HydrophobicContact CB-CD2 4.35Å; A52-F169 HydrophobicContact CB-CE1 3.6Å; A52-F169 HydrophobicContact CB-CE2 4.19Å; A52-F169 HydrophobicContact CB-CG 4.13Å; A52-F169 HydrophobicContact CB-CZ 3.81Å; A52-F169 PolarHBondContact N-O 2.91Å; F169-L305 HydrophobicContact CE2-CD2 3.9Å; F169-L305 HydrophobicContact CZ-CD1 4.29Å; F169-L305 HydrophobicContact CZ-CD2 4.18Å; F169-A335 HydrophobicContact CB-CB 4.43Å; F169-Y336 HydrophobicContact CE1-CD2 4.08Å; F169-Y336 AromaticContact CE2-CD2 3.86Å; F169-Y336 HydrophobicContact CE2-CD2 3.86Å; F169-Y336 HydrophobicContact CE2-CE2 4.44Å; F169-Y336 AromaticContact CZ-CD2 3.61Å; F169-Y336 HydrophobicContact CZ-CD2 3.61Å; F169-Y336 HydrophobicContact CZ-CE2 4.21Å; F169-R339 HydrophobicContact CD1-CB 4.42Å; F169-R339 HydrophobicContact CE1-CB 3.78Å; F169-R339 HydrophobicContact CE1-CG 3.68Å; F169-R339 HydrophobicContact CZ-CG 4.47Å
170	V	98.6	Very high	95.6	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	113.3	171.5	-169.1	0	0	0	0	110.1	L49 T50 F51 L133 Y157 L159 L173	L49-V170 HydrophobicContact CB-CG1 4.03Å; L49-V170 HydrophobicContact CD1-CG1 4.26Å; T50-V170 CarbonylContact O-C 3.58Å; T50-V170 WeakPolarHBondContact O-CA 3.2Å; F51-V170 HydrophobicContact CD1-CB 4.41Å; F51-V170 HydrophobicContact CD1-CG1 3.96Å; F51-V170 HydrophobicContact CD1-CG2 3.68Å; F51-V170 HydrophobicContact CE1-CB 4.41Å; F51-V170 HydrophobicContact CE1-CG1 3.71Å; F51-V170 HydrophobicContact CE1-CG2 3.75Å; F51-V170 HydrophobicContact CZ-CG1 4.12Å; L133-V170 HydrophobicContact CD1-CB 4.4Å; L133-V170 HydrophobicContact CD1-CG1 4.08Å; L133-V170 HydrophobicContact CD1-CG2 4.39Å; L133-V170 HydrophobicContact CD2-CG2 4Å; Y157-V170 HydrophobicContact CE2-CB 4.18Å; Y157-V170 HydrophobicContact CE2-CG2 3.88Å; Y157-V170 PolarHBondContact OH-N 3Å; L159-V170 HydrophobicContact CD2-CG2 4.43Å; V170-L173 HydrophobicContact CB-CD2 4Å; V170-L173 HydrophobicContact CG1-CD2 3.68Å
171	G	97.6	Very high	94.7	Very high	2 Å²	2	26.5 Å²	26.5	2%	0.021	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	148.7	174.6	0	0	0	0	0	112.1	T50 E302	T50-G171 PolarHBondContact N-O 3.15Å; T50-G171 PolarHBondContact O-N 2.86Å; G171-E302 WeakPolarHBondContact CA-OE1 3.37Å
172	G	96.1	Very high	93.3	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	97.1	2.5	-175.4	0	0	0	0	0	114.4	R152 G300 E302	R152-G172 WeakPolarHBondContact CD-O 3.35Å; R152-G172 PolarHBondContact NH1-O 3.14Å; G172-G300 WeakPolarHBondContact CA-O 3.47Å; G172-E302 PolarHBondContact N-OE1 2.6Å
173	L	97.3	Very high	92.2	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	19%	0.186	C	C	.	.	S	Bend	trans	-90.1	-47.8	-173.5	-90.1	-72.9	0	0	0	113.2	L49 L133 A136 F138 R152 S153 Y157 V170	L49-L173 HydrophobicContact CD1-CD2 4.27Å; L49-L173 HydrophobicContact CD2-CD2 3.81Å; L133-L173 HydrophobicContact CD1-CD1 4.32Å; L133-L173 HydrophobicContact CD1-CD2 4.06Å; L133-L173 HydrophobicContact CD1-CG 4.46Å; A136-L173 HydrophobicContact CB-CD1 4.02Å; F138-L173 HydrophobicContact CE1-CD1 3.94Å; F138-L173 HydrophobicContact CE1-CD2 4.44Å; F138-L173 HydrophobicContact CZ-CD1 3.7Å; F138-L173 HydrophobicContact CZ-CD2 4.23Å; R152-L173 WeakPolarHBondContact CD-O 3.38Å; S153-L173 PolarHBondContact N-O 3.46Å; Y157-L173 HydrophobicContact CD1-CB 4.35Å; Y157-L173 HydrophobicContact CD1-CD1 4.09Å; Y157-L173 HydrophobicContact CD1-CG 3.94Å; Y157-L173 HydrophobicContact CE1-CB 4.25Å; Y157-L173 HydrophobicContact CE1-CG 4.06Å; Y157-L173 HydrophobicContact CG-CD1 4.33Å; Y157-L173 HydrophobicContact CG-CG 4.43Å; V170-L173 HydrophobicContact CB-CD2 4Å; V170-L173 HydrophobicContact CG1-CD2 3.68Å
174	H	97.5	Very high	90.5	Very high	4 Å²	4	41.3 Å²	41.3	2%	0.019	22%	0.222	C	C	.	.	S	Bend	trans	-129.1	-46.5	-164.5	-59.1	-40.8	0	0	0	114.8	Q27 R29 S153 R155 Y157 F176	Q27-H174 HydrophobicContact CG-CB 3.65Å; R29-H174 HydrophobicContact CG-CB 4.27Å; S153-H174 PolarHBondContact O-ND1 3.02Å; R155-H174 PolarHBondContact O-CE1 3.44Å; Y157-H174 AromaticContact CD1-NE2 3.37Å; Y157-H174 WeakPolarHBondContact CD1-NE2 3.47Å; Y157-H174 AromaticContact CE1-NE2 3.59Å; H174-F176 VanDerWaalsContact O-CD2 3.27Å; H174-F176 WeakPolarHBondContact O-CD2 3.37Å; H174-F176 PolarHBondContact O-N 2.97Å
175	R	97.3	Very high	89.8	Confident	9 Å²	9	45.5 Å²	45.5	3%	0.034	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-70.8	130.3	-170.7	-71.2	162.5	-67.5	-83.5	-6.1	111.3	E24 R152 E302 L332 Y336	E24-R175 IonicContact OE1-CZ 3.51Å; E24-R175 IonicContact OE1-NH1 2.78Å; E24-R175 PolarHBondContact OE1-NH1 2.94Å; E24-R175 IonicContact OE1-NH2 3.49Å; R152-R175 PolarHBondContact NE-O 2.97Å; R152-R175 PolarHBondContact NH2-O 3.04Å; R175-E302 IonicContact CZ-OE1 2.68Å; R175-E302 IonicContact CZ-OE2 2.7Å; R175-E302 IonicContact NE-OE1 3.7Å; R175-E302 PolarHBondContact NE-OE1 3.1Å; R175-E302 IonicContact NE-OE2 3.03Å; R175-E302 PolarHBondContact NE-OE2 2.96Å; R175-E302 IonicContact NH2-OE1 3.34Å; R175-E302 PolarHBondContact NH2-OE1 3.17Å; R175-E302 IonicContact NH2-OE2 2.79Å; R175-E302 PolarHBondContact NH2-OE2 3.13Å; R175-L332 HydrophobicContact CG-CD2 4.43Å; R175-Y336 VanDerWaalsContact CZ-CD2 3.42Å
176	F	95.8	Very high	88.9	Confident	27 Å²	27	46.6 Å²	46.6	12%	0.118	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-90.4	143.2	177.2	-76.7	-100.8	0	0	0	109.9	L31 P32 W35 Y141 V150 R152 H174	L31-F176 HydrophobicContact CD1-CE1 4.13Å; L31-F176 HydrophobicContact CD1-CZ 3.86Å; P32-F176 HydrophobicContact CG-CB 3.91Å; P32-F176 HydrophobicContact CG-CD2 3.89Å; P32-F176 HydrophobicContact CG-CG 3.86Å; W35-F176 AromaticContact CD2-CD1 3.46Å; W35-F176 HydrophobicContact CD2-CD1 3.46Å; W35-F176 VanDerWaalsContact CD2-CD1 3.46Å; W35-F176 AromaticContact CD2-CE1 3.88Å; W35-F176 HydrophobicContact CD2-CE1 3.88Å; W35-F176 HydrophobicContact CD2-CG 4.44Å; W35-F176 AromaticContact CE2-CD1 3.69Å; W35-F176 AromaticContact CE3-CD1 3.48Å; W35-F176 HydrophobicContact CE3-CD1 3.48Å; W35-F176 VanDerWaalsContact CE3-CD1 3.48Å; W35-F176 AromaticContact CE3-CE1 3.61Å; W35-F176 HydrophobicContact CE3-CE1 3.61Å; W35-F176 HydrophobicContact CG-CD1 4.11Å; W35-F176 HydrophobicContact CG-CE1 4.39Å; W35-F176 AromaticContact CH2-CD1 3.94Å; W35-F176 HydrophobicContact CH2-CD1 3.94Å; W35-F176 HydrophobicContact CZ2-CB 4.27Å; W35-F176 AromaticContact CZ2-CD1 3.92Å; W35-F176 HydrophobicContact CZ2-CD1 3.92Å; W35-F176 AromaticContact CZ3-CD1 3.75Å; W35-F176 HydrophobicContact CZ3-CD1 3.75Å; W35-F176 HydrophobicContact CZ3-CE1 4.07Å; Y141-F176 HydrophobicContact CD1-CE1 4.11Å; Y141-F176 HydrophobicContact CD1-CZ 4Å; Y141-F176 HydrophobicContact CD2-CE1 4.06Å; Y141-F176 AromaticContact CD2-CZ 3.93Å; Y141-F176 HydrophobicContact CD2-CZ 3.93Å; Y141-F176 HydrophobicContact CE1-CZ 4.26Å; Y141-F176 HydrophobicContact CE2-CZ 4.2Å; Y141-F176 AromaticContact CG-CE1 3.7Å; Y141-F176 HydrophobicContact CG-CE1 3.7Å; Y141-F176 AromaticContact CG-CZ 3.83Å; Y141-F176 HydrophobicContact CG-CZ 3.83Å; V150-F176 HydrophobicContact CG2-CD1 3.79Å; V150-F176 HydrophobicContact CG2-CE1 3.71Å; R152-F176 HydrophobicContact CB-CE2 4.34Å; R152-F176 HydrophobicContact CB-CZ 4.12Å; R152-F176 HydrophobicContact CG-CE1 4.39Å; R152-F176 HydrophobicContact CG-CE2 4.26Å; R152-F176 HydrophobicContact CG-CZ 4.13Å; H174-F176 VanDerWaalsContact O-CD2 3.27Å; H174-F176 WeakPolarHBondContact O-CD2 3.37Å; H174-F176 PolarHBondContact O-N 2.97Å
177	P	92.3	Very high	87.6	Confident	11 Å²	11	51.8 Å²	51.8	7%	0.071	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-68.4	159.1	174	30.4	-35.2	0	0	0	111.1	W35 T148 V150 P303	W35-P177 HydrophobicContact CH2-CG 3.78Å; W35-P177 HydrophobicContact CZ2-CG 3.86Å; T148-P177 HydrophobicContact CG2-CG 3.78Å; V150-P177 HydrophobicContact CG1-CG 3.76Å; P177-P303 HydrophobicContact CB-CG 3.92Å
178	P	87.3	Confident	86.5	Confident	41 Å²	41	57.6 Å²	57.6	27%	0.266	30%	0.3	S	S	.	.	P	Polyproline II helix	trans	-65	151.9	176.7	28	-34.1	0	0	0	111.2	F230 L231 Y325	P178-F230 HydrophobicContact CG-CB 3.93Å; P178-L231 VanDerWaalsContact C-CD2 3.47Å; P178-L231 HydrophobicContact CB-CD2 3.77Å; P178-L231 HydrophobicContact CG-CD2 4Å; P178-L231 WeakPolarHBondContact O-CD2 3.26Å; P178-Y325 HydrophobicContact CG-CD2 4.4Å; P178-Y325 HydrophobicContact CG-CE2 4.43Å
179	T	87.2	Confident	85.2	Confident	45 Å²	45	64.1 Å²	64.1	28%	0.276	33%	0.33	S	S	.	.			trans	-124.5	140.5	172	55.4	0	0	0	0	109.1	W35	W35-T179 HydrophobicContact CZ2-CG2 3.71Å
180	S	80.5	Confident	83.8	Confident	23 Å²	23	71.5 Å²	71.5	16%	0.161	37%	0.374	C	S	.	.			trans	-59.3	142.3	-178.8	57.2	0	0	0	0	111.4	P145	P145-S180 WeakPolarHBondContact CD-OG 3.34Å; P145-S180 WeakPolarHBondContact CG-OG 3.43Å
181	S	79.8	Confident	82.3	Confident	91 Å²	91	75.1 Å²	75.1	64%	0.636	40%	0.397	S	S	*	.			trans	-59.8	142.2	178.6	-174.8	0	0	0	0	112.3	R183	S181-R183 VanDerWaalsContact C-N 3.27Å; S181-R183 VanDerWaalsContact OG-CB 3.27Å; S181-R183 WeakPolarHBondContact OG-CB 3.45Å; S181-R183 PolarHBondContact OG-N 3.49Å; S181-R183 VanDerWaalsContact OG-N 3.1Å
182	L	66.6	Low	80.4	Confident	147 Å²	147	79.5 Å²	79.5	77%	0.77	44%	0.442	S	S	*	.			trans	-85.7	2	169.7	-69.5	175.7	0	0	0	112.7	P145 Q184	P145-L182 HydrophobicContact CG-CD2 3.64Å; P145-L182 HydrophobicContact CG-CG 4.48Å; L182-Q184 PolarHBondContact O-N 3.48Å
183	R	74.5	Confident	78.7	Confident	167 Å²	167	84.2 Å²	84.2	63%	0.63	47%	0.471	S	S	*	.	P	Polyproline II helix	trans	-59.3	124	179.5	-175.4	177.9	176.7	176.6	1.2	109.9	S181 Y406	S181-R183 VanDerWaalsContact C-N 3.27Å; S181-R183 VanDerWaalsContact OG-CB 3.27Å; S181-R183 WeakPolarHBondContact OG-CB 3.45Å; S181-R183 PolarHBondContact OG-N 3.49Å; S181-R183 VanDerWaalsContact OG-N 3.1Å; R183-Y406 PolarHBondContact NH2-OH 3.27Å
184	Q	60.9	Low	77	Confident	163 Å²	163	90.8 Å²	90.8	76%	0.762	51%	0.511	S	S	*	.	P	Polyproline II helix	trans	-71.2	132	176.2	-67.1	-173.9	-12	0	0	110.1	L182	L182-Q184 PolarHBondContact O-N 3.48Å
185	R	83.8	Confident	75	Confident	117 Å²	117	91.8 Å²	91.8	44%	0.442	52%	0.522	S	S	.	.	P	Polyproline II helix	trans	-76.2	160.6	168.5	-71.1	-177	-61.2	-73.9	-3.2	109.5	E187 I271 W470	R185-E187 PolarHBondContact O-N 3.11Å; R185-I271 VanDerWaalsContact CZ-CD1 3.44Å; R185-W470 VanDerWaalsContact CD-O 3.29Å; R185-W470 WeakPolarHBondContact CD-O 3.24Å
186	P	79.1	Confident	73.3	Confident	89 Å²	89	100.2 Å²	100.2	58%	0.578	57%	0.567	S	S	*	*	P	Polyproline II helix	trans	-52.1	128.3	174.1	-26.3	35	0	0	0	111.9	W470	P186-W470 HydrophobicContact CG-CG 4.4Å
187	E	71.4	Confident	71.9	Confident	125 Å²	125	103 Å²	103	58%	0.584	58%	0.579	S	S	*	*	P	Polyproline II helix	trans	-66.8	154.4	175.4	-73.6	-66.5	162.8	0	0	111	R185 Q189	R185-E187 PolarHBondContact O-N 3.11Å; E187-Q189 PolarHBondContact O-N 3.12Å; E187-Q189 VanDerWaalsContact O-N 3.15Å
188	P	76.1	Confident	71.4	Confident	124 Å²	124	105.4 Å²	105.4	81%	0.805	59%	0.592	S	S	*	*	P	Polyproline II helix	trans	-57.1	120.9	171.8	-22.3	33.8	0	0	0	110.8
189	Q	70.7	Confident	71.5	Confident	162 Å²	162	104.1 Å²	104.1	76%	0.757	59%	0.586	S	S	*	*			trans	-129.3	142.9	178.7	-70.4	-176.2	-7.3	0	0	110.6	E187	E187-Q189 PolarHBondContact O-N 3.12Å; E187-Q189 VanDerWaalsContact O-N 3.15Å
190	V	69.9	Low	71.9	Confident	154 Å²	154	102.3 Å²	102.3	93%	0.933	58%	0.575	S	S	*	*			trans	-85	112.9	172.5	-179	0	0	0	0	108.1
191	T	67.6	Low	72.8	Confident	77 Å²	77	101.4 Å²	101.4	47%	0.472	57%	0.568	S	S	.	*			trans	-102.4	149.7	172.4	55.6	0	0	0	0	110.3	T193	T191-T193 PolarHBondContact O-N 2.99Å; T191-T193 VanDerWaalsContact O-N 3.12Å; T191-T193 PolarHBondContact OG1-O 2.91Å
192	G	57.5	Low	73.7	Confident	93 Å²	93	97 Å²	97	96%	0.959	54%	0.538	S	S	*	.	S	Bend	trans	-64.3	-12.5	176.8	0	0	0	0	0	114.1
193	T	59.6	Low	75.1	Confident	100 Å²	100	92.5 Å²	92.5	61%	0.613	52%	0.518	S	S	*	.			trans	-125.1	102.9	173.1	46.8	0	0	0	0	109.1	T191 G195	T191-T193 PolarHBondContact O-N 2.99Å; T191-T193 VanDerWaalsContact O-N 3.12Å; T191-T193 PolarHBondContact OG1-O 2.91Å; T193-G195 PolarHBondContact O-N 3.22Å
194	V	61.3	Low	76.2	Confident	138 Å²	138	85 Å²	85	84%	0.836	49%	0.491	S	S	*	.			trans	-77.3	99.5	162.1	-172.3	0	0	0	0	105
195	G	56.8	Low	78	Confident	24 Å²	24	77.3 Å²	77.3	25%	0.247	46%	0.455	C	S	.	.			trans	-51.7	152.7	-173.9	0	0	0	0	0	112.9	T193 H197	T193-G195 PolarHBondContact O-N 3.22Å; G195-H197 PolarHBondContact O-N 3.36Å; G195-H197 VanDerWaalsContact O-N 3.07Å
196	L	61.4	Low	78.7	Confident	187 Å²	187	72.3 Å²	72.3	98%	0.979	44%	0.436	S	S	*	.	S	Bend	trans	-54	-28.6	-179.9	-80.4	150.8	0	0	0	113.2
197	H	66.3	Low	79.6	Confident	84 Å²	84	75.1 Å²	75.1	39%	0.389	44%	0.439	S	S	.	.	S	Bend	trans	-154.9	130.8	169.9	-178.6	68.3	0	0	0	108.9	G195 G199 T201 F397	G195-H197 PolarHBondContact O-N 3.36Å; G195-H197 VanDerWaalsContact O-N 3.07Å; H197-G199 PolarHBondContact CD2-O 3.23Å; H197-G199 VanDerWaalsContact CD2-O 3.23Å; H197-G199 PolarHBondContact NE2-O 3.28Å; H197-T201 WeakPolarHBondContact NE2-CG2 3.37Å; H197-F397 WeakPolarHBondContact O-CD1 3.43Å
198	L	81.9	Confident	80.9	Confident	63 Å²	63	71 Å²	71	33%	0.33	42%	0.418	S	S	.	.			trans	-96.8	124.6	-178.8	-172.3	64.6	0	0	0	110.3	F397 W460 W470	L198-F397 HydrophobicContact CD1-CE1 3.69Å; L198-W460 HydrophobicContact CD2-CZ2 4.25Å; L198-W460 PolarHBondContact O-NE1 2.76Å; L198-W470 HydrophobicContact CD1-CH2 3.4Å; L198-W470 HydrophobicContact CD1-CZ2 3.53Å; L198-W470 HydrophobicContact CD1-CZ3 4.44Å; L198-W470 HydrophobicContact CD2-CH2 4.5Å; L198-W470 HydrophobicContact CD2-CZ2 3.87Å; L198-W470 HydrophobicContact CG-CH2 4.06Å; L198-W470 HydrophobicContact CG-CZ2 3.93Å
199	G	89.2	Confident	82	Confident	14 Å²	14	65.1 Å²	65.1	14%	0.144	38%	0.38	C	S	.	.	S	Bend	trans	70	-174.4	169.3	0	0	0	0	0	115.8	H197 G458	H197-G199 PolarHBondContact CD2-O 3.23Å; H197-G199 VanDerWaalsContact CD2-O 3.23Å; H197-G199 PolarHBondContact NE2-O 3.28Å; G199-G458 CarbonylContact C-O 3.59Å; G199-G458 VanDerWaalsContact CA-O 3.28Å; G199-G458 WeakPolarHBondContact CA-O 3.45Å
200	V	96	Very high	83.3	Confident	6 Å²	6	61.3 Å²	61.3	4%	0.036	37%	0.365	C	S	.	.	B	Isolated β-bridge	trans	-93.5	128	-173.8	175.5	0	0	0	0	110.7	V204 I205 Y279 L455 D457 G458 Y459 W460	V200-V204 HydrophobicContact CG1-CG1 4.32Å; V200-V204 HydrophobicContact CG2-CG1 4.36Å; V200-I205 HydrophobicContact CG1-CD1 3.43Å; V200-I205 VanDerWaalsContact CG1-CD1 3.43Å; V200-I205 HydrophobicContact CG1-CG1 3.79Å; V200-Y279 PolarHBondContact O-OH 2.98Å; V200-L455 HydrophobicContact CG2-CD1 4.47Å; V200-D457 WeakPolarHBondContact CG2-O 3.23Å; V200-G458 PolarHBondContact N-O 2.79Å; V200-Y459 HydrophobicContact CB-CD2 4Å; V200-Y459 HydrophobicContact CB-CE2 4.21Å; V200-Y459 HydrophobicContact CB-CG 4.17Å; V200-Y459 HydrophobicContact CG1-CD1 4.02Å; V200-Y459 HydrophobicContact CG1-CD2 4.04Å; V200-Y459 HydrophobicContact CG1-CE1 3.81Å; V200-Y459 HydrophobicContact CG1-CE2 3.87Å; V200-Y459 HydrophobicContact CG1-CG 4.1Å; V200-Y459 HydrophobicContact CG2-CE2 4.5Å; V200-Y459 WeakPolarHBondContact O-CA 3.46Å; V200-W460 PolarHBondContact O-N 2.8Å
201	T	97.8	Very high	84.7	Confident	4 Å²	4	54.5 Å²	54.5	3%	0.025	32%	0.323	C	S	.	.			trans	-129.7	168.3	177.1	61.5	0	0	0	0	110.1	H197 S203 V204 I205 F247 W460	H197-T201 WeakPolarHBondContact NE2-CG2 3.37Å; T201-S203 PolarHBondContact O-N 3.27Å; T201-S203 VanDerWaalsContact O-N 3.17Å; T201-V204 WeakPolarHBondContact O-CA 3.5Å; T201-V204 WeakPolarHBondContact O-CB 3.32Å; T201-V204 PolarHBondContact O-N 3.46Å; T201-I205 PolarHBondContact O-N 3.29Å; T201-F247 HydrophobicContact CG2-CD1 3.87Å; T201-F247 HydrophobicContact CG2-CE1 3.62Å; T201-F247 HydrophobicContact CG2-CZ 4.28Å; T201-W460 HydrophobicContact CG2-CB 4.4Å; T201-W460 HydrophobicContact CG2-CG 4.27Å
202	P	98.6	Very high	86.2	Confident	0 Å²	0	54 Å²	54	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-45.9	-42.8	170.2	-35.4	38.6	0	0	0	114.3	V204 I205 R206 F243 F247 F251 Y279 S282	P202-V204 VanDerWaalsContact C-N 3.35Å; P202-V204 PolarHBondContact O-N 3.19Å; P202-I205 PolarHBondContact O-N 2.94Å; P202-R206 WeakPolarHBondContact O-CB 3.28Å; P202-R206 WeakPolarHBondContact O-CG 3.49Å; P202-R206 PolarHBondContact O-N 3.21Å; P202-F243 HydrophobicContact CG-CE1 3.59Å; P202-F243 HydrophobicContact CG-CE2 4.49Å; P202-F243 HydrophobicContact CG-CZ 3.39Å; P202-F247 HydrophobicContact CB-CB 4.26Å; P202-F247 HydrophobicContact CG-CB 3.64Å; P202-F247 HydrophobicContact CG-CG 4.43Å; P202-F251 HydrophobicContact CB-CE1 3.86Å; P202-F251 HydrophobicContact CB-CZ 3.92Å; P202-Y279 HydrophobicContact CG-CE1 4.44Å; P202-S282 WeakPolarHBondContact CG-OG 3.39Å
203	S	97.6	Very high	88.1	Confident	52 Å²	52	52.7 Å²	52.7	36%	0.364	30%	0.296	S	S	.	.	H	α-helix	trans	-63.5	-38.2	176.8	-64.4	0	0	0	0	113	T201 K207	T201-S203 PolarHBondContact O-N 3.27Å; T201-S203 VanDerWaalsContact O-N 3.17Å; S203-K207 WeakPolarHBondContact O-CB 3.45Å; S203-K207 PolarHBondContact O-N 3.1Å
204	V	97.6	Very high	89.9	Confident	10 Å²	10	54.7 Å²	54.7	6%	0.061	30%	0.299	C	S	.	.	H	α-helix	trans	-65.9	-49.2	176.6	171.3	0	0	0	0	110.6	V200 T201 P202 K207 R208 F393 I399	V200-V204 HydrophobicContact CG1-CG1 4.32Å; V200-V204 HydrophobicContact CG2-CG1 4.36Å; T201-V204 WeakPolarHBondContact O-CA 3.5Å; T201-V204 WeakPolarHBondContact O-CB 3.32Å; T201-V204 PolarHBondContact O-N 3.46Å; P202-V204 VanDerWaalsContact C-N 3.35Å; P202-V204 PolarHBondContact O-N 3.19Å; V204-K207 PolarHBondContact O-N 3.42Å; V204-R208 WeakPolarHBondContact O-CB 3.35Å; V204-R208 PolarHBondContact O-N 3.34Å; V204-F393 HydrophobicContact CG1-CE2 3.62Å; V204-F393 HydrophobicContact CG1-CZ 3.94Å; V204-I399 HydrophobicContact CB-CD1 4.24Å; V204-I399 HydrophobicContact CG1-CD1 4Å; V204-I399 HydrophobicContact CG1-CG1 4.1Å; V204-I399 HydrophobicContact CG2-CD1 4.21Å
205	I	98.6	Very high	91.7	Very high	1 Å²	1	49.4 Å²	49.4	1%	0.005	27%	0.266	C	S	.	.	H	α-helix	trans	-57.4	-52.9	177.5	-65.1	-53.5	0	0	0	110.7	V200 T201 P202 K207 R208 Y209 Y279 L455 Y459 V480	V200-I205 HydrophobicContact CG1-CD1 3.43Å; V200-I205 VanDerWaalsContact CG1-CD1 3.43Å; V200-I205 HydrophobicContact CG1-CG1 3.79Å; T201-I205 PolarHBondContact O-N 3.29Å; P202-I205 PolarHBondContact O-N 2.94Å; I205-K207 VanDerWaalsContact C-N 3.32Å; I205-K207 PolarHBondContact O-N 3.35Å; I205-R208 PolarHBondContact O-N 3.06Å; I205-Y209 HydrophobicContact CD1-CE2 4.28Å; I205-Y209 HydrophobicContact CG2-CD2 3.8Å; I205-Y209 HydrophobicContact CG2-CE2 4.19Å; I205-Y209 PolarHBondContact O-N 3.05Å; I205-Y279 HydrophobicContact CG1-CD1 4.24Å; I205-Y279 HydrophobicContact CG1-CE1 4.14Å; I205-L455 HydrophobicContact CD1-CB 4.16Å; I205-L455 HydrophobicContact CD1-CD1 3.69Å; I205-Y459 HydrophobicContact CD1-CE1 4.14Å; I205-Y459 WeakPolarHBondContact CD1-OH 3.18Å; I205-Y459 HydrophobicContact CG1-CE1 4.39Å; I205-V480 HydrophobicContact CD1-CG1 4.48Å; I205-V480 HydrophobicContact CD1-CG2 4.39Å; I205-V480 HydrophobicContact CG1-CG2 4.39Å; I205-V480 HydrophobicContact CG2-CG1 3.59Å; I205-V480 HydrophobicContact CG2-CG2 4.34Å
206	R	98.6	Very high	93.7	Very high	12 Å²	12	49.7 Å²	49.7	5%	0.045	26%	0.263	C	S	.	.	H	α-helix	trans	-62.8	-39.8	-177.6	-68.1	-178.6	75.3	79.7	4.1	111.8	P202 N210 L211 T212 D215 F251 S282	P202-R206 WeakPolarHBondContact O-CB 3.28Å; P202-R206 WeakPolarHBondContact O-CG 3.49Å; P202-R206 PolarHBondContact O-N 3.21Å; R206-N210 PolarHBondContact O-N 3.02Å; R206-N210 VanDerWaalsContact O-N 3.1Å; R206-L211 HydrophobicContact CB-CB 3.92Å; R206-L211 HydrophobicContact CB-CD1 4.45Å; R206-L211 HydrophobicContact CG-CB 4.09Å; R206-L211 HydrophobicContact CG-CD1 3.99Å; R206-L211 PolarHBondContact O-N 3.25Å; R206-T212 PolarHBondContact NH2-O 3.24Å; R206-D215 PolarHBondContact NH2-O 2.99Å; R206-F251 VanDerWaalsContact CD-CD1 3.46Å; R206-S282 PolarHBondContact NH1-O 3.01Å
207	K	98.1	Very high	95.4	Very high	147 Å²	147	40.9 Å²	40.9	64%	0.639	22%	0.217	S	C	*	.	H	α-helix	trans	-67.7	-46.5	176.2	179.3	166.4	166	-177.6	0	112.4	S203 V204 I205 N210 I399	S203-K207 WeakPolarHBondContact O-CB 3.45Å; S203-K207 PolarHBondContact O-N 3.1Å; V204-K207 PolarHBondContact O-N 3.42Å; I205-K207 VanDerWaalsContact C-N 3.32Å; I205-K207 PolarHBondContact O-N 3.35Å; K207-N210 PolarHBondContact O-N 3.27Å; K207-I399 HydrophobicContact CB-CD1 4.12Å; K207-I399 HydrophobicContact CD-CD1 3.83Å; K207-I399 HydrophobicContact CG-CD1 4.04Å
208	R	98.2	Very high	96.9	Very high	39 Å²	39	39.5 Å²	39.5	15%	0.147	22%	0.216	C	C	.	.	H	α-helix	trans	-63.9	-43.2	-179.2	175.6	52.9	-172.3	169.6	11.5	111.7	V204 I205 N210 F393 I399 T400 E402 L455 F516	V204-R208 WeakPolarHBondContact O-CB 3.35Å; V204-R208 PolarHBondContact O-N 3.34Å; I205-R208 PolarHBondContact O-N 3.06Å; R208-N210 VanDerWaalsContact C-N 3.29Å; R208-N210 PolarHBondContact O-N 3.28Å; R208-F393 HydrophobicContact CB-CE1 4.44Å; R208-F393 HydrophobicContact CB-CZ 4.14Å; R208-F393 HydrophobicContact CG-CE1 3.92Å; R208-F393 HydrophobicContact CG-CZ 4.06Å; R208-I399 HydrophobicContact CB-CG2 3.77Å; R208-I399 HydrophobicContact CG-CG2 4.32Å; R208-T400 VanDerWaalsContact CZ-O 3.29Å; R208-T400 PolarHBondContact NH1-O 3.08Å; R208-E402 IonicContact CZ-OE2 3.85Å; R208-E402 VanDerWaalsContact CZ-OE2 3.22Å; R208-E402 IonicContact NE-OE2 3.09Å; R208-E402 PolarHBondContact NE-OE2 3.45Å; R208-E402 IonicContact NH2-OE2 2.79Å; R208-E402 PolarHBondContact NH2-OE2 3.47Å; R208-L455 HydrophobicContact CG-CD1 4.5Å; R208-F516 VanDerWaalsContact NH2-CD1 3.3Å; R208-F516 VanDerWaalsContact NH2-CG 3.34Å
209	Y	98.7	Very high	97.4	Very high	1 Å²	1	39.4 Å²	39.4	0%	0.004	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.6	15	-177.9	-57.3	-38.9	0	0	0	114	I205 L211 E402 A454 L455 V480 L484 P551 F553	I205-Y209 HydrophobicContact CD1-CE2 4.28Å; I205-Y209 HydrophobicContact CG2-CD2 3.8Å; I205-Y209 HydrophobicContact CG2-CE2 4.19Å; I205-Y209 PolarHBondContact O-N 3.05Å; Y209-L211 VanDerWaalsContact C-N 3.34Å; Y209-L211 PolarHBondContact O-N 3.11Å; Y209-E402 WeakPolarHBondContact CE1-OE1 3.44Å; Y209-E402 WeakPolarHBondContact CE1-OE2 3.34Å; Y209-E402 PolarHBondContact OH-OE1 2.55Å; Y209-A454 HydrophobicContact CE2-CB 4.18Å; Y209-A454 VanDerWaalsContact OH-CA 3.31Å; Y209-A454 WeakPolarHBondContact OH-CA 3.4Å; Y209-L455 WeakPolarHBondContact OH-CG 3.34Å; Y209-L455 PolarHBondContact OH-N 3.02Å; Y209-V480 HydrophobicContact CD2-CG1 3.99Å; Y209-V480 HydrophobicContact CE2-CG1 3.71Å; Y209-L484 HydrophobicContact CD2-CD1 4.43Å; Y209-P551 VanDerWaalsContact CB-O 3.25Å; Y209-P551 WeakPolarHBondContact CB-O 3.4Å; Y209-P551 HydrophobicContact CD1-CG 4.1Å; Y209-P551 WeakPolarHBondContact CD1-O 3.02Å; Y209-P551 HydrophobicContact CD2-CG 4.19Å; Y209-P551 HydrophobicContact CE1-CG 4.32Å; Y209-P551 HydrophobicContact CE2-CG 4.39Å; Y209-P551 HydrophobicContact CG-CG 4.05Å; Y209-F553 WeakPolarHBondContact O-CB 3.45Å; Y209-F553 PolarHBondContact O-N 3.19Å
210	N	98.6	Very high	97.6	Very high	81 Å²	81	43.9 Å²	43.9	43%	0.433	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.7	38.8	172.1	-60.2	-49	0	0	0	114.7	R206 K207 R208 N552 P554	R206-N210 PolarHBondContact O-N 3.02Å; R206-N210 VanDerWaalsContact O-N 3.1Å; K207-N210 PolarHBondContact O-N 3.27Å; R208-N210 VanDerWaalsContact C-N 3.29Å; R208-N210 PolarHBondContact O-N 3.28Å; N210-N552 PolarHBondContact ND2-OD1 2.87Å; N210-P554 HydrophobicContact CB-CG 3.91Å
211	L	98.7	Very high	97.5	Very high	12 Å²	12	45 Å²	45	6%	0.063	26%	0.263	C	S	.	.			trans	-86.8	115.2	168.3	-65.6	161.2	0	0	0	109.4	R206 Y209 D215 L484 L487 F553	R206-L211 HydrophobicContact CB-CB 3.92Å; R206-L211 HydrophobicContact CB-CD1 4.45Å; R206-L211 HydrophobicContact CG-CB 4.09Å; R206-L211 HydrophobicContact CG-CD1 3.99Å; R206-L211 PolarHBondContact O-N 3.25Å; Y209-L211 VanDerWaalsContact C-N 3.34Å; Y209-L211 PolarHBondContact O-N 3.11Å; L211-D215 HydrophobicContact CB-CB 4.25Å; L211-D215 HydrophobicContact CD2-CB 3.74Å; L211-L484 HydrophobicContact CD1-CD1 4.11Å; L211-L484 HydrophobicContact CD1-CD2 4.38Å; L211-L484 HydrophobicContact CD1-CG 4.11Å; L211-L487 HydrophobicContact CD2-CD2 3.74Å; L211-F553 HydrophobicContact CD2-CB 3.91Å; L211-F553 HydrophobicContact CD2-CD1 3.71Å; L211-F553 HydrophobicContact CD2-CD2 3.79Å; L211-F553 HydrophobicContact CD2-CE1 4.18Å; L211-F553 HydrophobicContact CD2-CE2 4.24Å; L211-F553 HydrophobicContact CD2-CG 3.5Å; L211-F553 VanDerWaalsContact CD2-CG 3.5Å; L211-F553 HydrophobicContact CD2-CZ 4.42Å; L211-F553 HydrophobicContact CG-CB 4.23Å; L211-F553 HydrophobicContact CG-CG 4.34Å
212	T	98.4	Very high	97.2	Very high	66 Å²	66	50.9 Å²	50.9	41%	0.405	30%	0.295	S	S	.	.			trans	-74.1	176	172	68.8	0	0	0	0	111.5	R206 Q214 D215	R206-T212 PolarHBondContact NH2-O 3.24Å; T212-Q214 PolarHBondContact O-N 3.04Å; T212-Q214 PolarHBondContact OG1-N 2.89Å; T212-Q214 PolarHBondContact OG1-OE1 3.07Å; T212-D215 WeakPolarHBondContact CA-OD2 3.46Å; T212-D215 WeakPolarHBondContact CB-OD2 3.31Å; T212-D215 WeakPolarHBondContact CG2-OD2 3.3Å; T212-D215 PolarHBondContact N-OD2 2.8Å; T212-D215 PolarHBondContact O-N 2.89Å; T212-D215 PolarHBondContact OG1-N 2.04Å; T212-D215 PolarHBondContact OG1-OD2 2.88Å
213	S	97.8	Very high	97.2	Very high	65 Å²	65	51.1 Å²	51.1	46%	0.455	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-14.7	172.5	56.3	0	0	0	0	113.2	N250	S213-N250 WeakPolarHBondContact CB-O 3.22Å
214	Q	97.6	Very high	97.3	Very high	143 Å²	143	49.4 Å²	49.4	67%	0.668	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.8	-17.2	175.2	-65.1	71.9	38.7	0	0	112.8	T212 V216	T212-Q214 PolarHBondContact O-N 3.04Å; T212-Q214 PolarHBondContact OG1-N 2.89Å; T212-Q214 PolarHBondContact OG1-OE1 3.07Å; Q214-V216 PolarHBondContact O-N 2.88Å
215	D	98.5	Very high	97.3	Very high	27 Å²	27	49 Å²	49	14%	0.144	28%	0.281	C	S	.	.			trans	-80.9	72.9	-178.5	-65.8	-44.4	0	0	0	110.6	R206 L211 T212 L487 F553	R206-D215 PolarHBondContact NH2-O 2.99Å; L211-D215 HydrophobicContact CB-CB 4.25Å; L211-D215 HydrophobicContact CD2-CB 3.74Å; T212-D215 WeakPolarHBondContact CA-OD2 3.46Å; T212-D215 WeakPolarHBondContact CB-OD2 3.31Å; T212-D215 WeakPolarHBondContact CG2-OD2 3.3Å; T212-D215 PolarHBondContact N-OD2 2.8Å; T212-D215 PolarHBondContact O-N 2.89Å; T212-D215 PolarHBondContact OG1-N 2.04Å; T212-D215 PolarHBondContact OG1-OD2 2.88Å; D215-L487 HydrophobicContact CB-CD2 3.83Å; D215-L487 WeakPolarHBondContact O-CD2 3.5Å; D215-F553 HydrophobicContact CB-CD1 4.49Å; D215-F553 HydrophobicContact CB-CE1 4.07Å; D215-F553 WeakPolarHBondContact OD1-CE1 3.41Å
216	V	98.7	Very high	97.3	Very high	30 Å²	30	49.2 Å²	49.2	18%	0.182	28%	0.284	C	S	.	.	S	Bend	trans	-141.6	154.6	-178.1	-60.1	0	0	0	0	109.7	Q214 F251 A252 A285 N286	Q214-V216 PolarHBondContact O-N 2.88Å; V216-F251 HydrophobicContact CG1-CB 4.32Å; V216-A252 HydrophobicContact CG1-CB 4.4Å; V216-A252 HydrophobicContact CG2-CB 4.17Å; V216-A285 HydrophobicContact CB-CB 4.47Å; V216-A285 HydrophobicContact CG1-CB 3.96Å; V216-N286 HydrophobicContact CB-CB 4.17Å
217	G	98.3	Very high	97.3	Very high	1 Å²	1	48.9 Å²	48.9	1%	0.01	28%	0.283	C	S	.	.			trans	-57.2	141.5	171.9	0	0	0	0	0	111.4	A285 N286	G217-A285 PolarHBondContact N-O 3.05Å; G217-N286 PolarHBondContact O-ND2 2.91Å
218	S	96.5	Very high	97.3	Very high	55 Å²	55	42 Å²	42	39%	0.385	25%	0.253	S	S	.	.			trans	-81.9	-23.1	-178.1	69.1	0	0	0	0	112.8	T220 E490	S218-T220 PolarHBondContact O-N 3.43Å; S218-T220 PolarHBondContact OG-N 3.05Å; S218-T220 VanDerWaalsContact OG-N 3.09Å; S218-T220 PolarHBondContact OG-OG1 2.82Å; S218-E490 WeakPolarHBondContact CB-OE1 3.32Å; S218-E490 PolarHBondContact N-OE1 3.04Å; S218-E490 PolarHBondContact OG-OE1 3.01Å
219	G	92.6	Very high	97	Very high	62 Å²	62	40.4 Å²	40.4	64%	0.639	25%	0.248	S	C	*	.	S	Bend	trans	71	9.5	-169.8	0	0	0	0	0	114
220	T	93.9	Very high	96.7	Very high	108 Å²	108	40.9 Å²	40.9	66%	0.663	25%	0.25	S	S	*	.	S	Bend	trans	-98	-16.3	-178	65.5	0	0	0	0	113.7	S218 L494	S218-T220 PolarHBondContact O-N 3.43Å; S218-T220 PolarHBondContact OG-N 3.05Å; S218-T220 VanDerWaalsContact OG-N 3.09Å; S218-T220 PolarHBondContact OG-OG1 2.82Å; T220-L494 WeakPolarHBondContact OG1-CD2 3.47Å
221	S	94.2	Very high	96.2	Very high	28 Å²	28	38.1 Å²	38.1	20%	0.196	24%	0.235	C	C	.	.	S	Bend	trans	-99.1	170.5	173.1	84	0	0	0	0	110.7	N223 E490	S221-N223 VanDerWaalsContact C-N 3.25Å; S221-N223 WeakPolarHBondContact OG-CB 3.47Å; S221-N223 PolarHBondContact OG-N 3.47Å; S221-E490 PolarHBondContact OG-OE2 2.93Å
222	N	92.4	Very high	95.8	Very high	129 Å²	129	39.7 Å²	39.7	69%	0.69	24%	0.242	S	C	*	.			trans	-89.4	17.8	168.6	69	-29.1	0	0	0	113
223	N	98.3	Very high	95.3	Very high	5 Å²	5	37.1 Å²	37.1	3%	0.027	23%	0.225	C	C	.	.			trans	-59.4	139.2	176.8	-174.5	28.8	0	0	0	110.8	S221 S486 E490 I493	S221-N223 VanDerWaalsContact C-N 3.25Å; S221-N223 WeakPolarHBondContact OG-CB 3.47Å; S221-N223 PolarHBondContact OG-N 3.47Å; N223-S486 PolarHBondContact ND2-O 3.26Å; N223-E490 WeakPolarHBondContact CB-OE2 3.06Å; N223-E490 PolarHBondContact ND2-N 2.94Å; N223-E490 PolarHBondContact ND2-OE2 2.82Å; N223-I493 HydrophobicContact CB-CD1 3.77Å
224	S	98.7	Very high	95.2	Very high	16 Å²	16	35.8 Å²	35.8	11%	0.112	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	157.2	179.2	51.8	0	0	0	0	111.5	S288 P318 H319	S224-S288 CarbonylContact C-O 3.49Å; S224-S288 VanDerWaalsContact CA-O 3.23Å; S224-S288 WeakPolarHBondContact CA-O 3.33Å; S224-S288 WeakPolarHBondContact CB-O 3.25Å; S224-P318 WeakPolarHBondContact OG-CA 3.28Å; S224-H319 PolarHBondContact O-N 2.84Å
225	Q	98.9	Very high	95.1	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	162.4	-178.9	63.5	-166.5	9.5	0	0	111.5	L280 G284 I287 S288 T289 W290 V320 S486	Q225-L280 HydrophobicContact CB-CD1 4.35Å; Q225-L280 HydrophobicContact CB-CD2 4.35Å; Q225-L280 HydrophobicContact CG-CD1 4.17Å; Q225-L280 HydrophobicContact CG-CD2 3.99Å; Q225-L280 HydrophobicContact CG-CG 4.03Å; Q225-L280 PolarHBondContact NE2-O 3.13Å; Q225-G284 PolarHBondContact NE2-O 3.3Å; Q225-I287 HydrophobicContact CG-CG2 4.08Å; Q225-S288 PolarHBondContact N-O 3.08Å; Q225-T289 HydrophobicContact CG-CG2 4.16Å; Q225-T289 WeakPolarHBondContact CG-OG1 3.24Å; Q225-T289 PolarHBondContact NE2-OG1 3.44Å; Q225-T289 CarbonylContact O-C 3.44Å; Q225-T289 VanDerWaalsContact O-CA 3.3Å; Q225-T289 WeakPolarHBondContact O-CA 3.49Å; Q225-W290 PolarHBondContact O-N 3.01Å; Q225-V320 CarbonylContact C-O 3.43Å; Q225-V320 WeakPolarHBondContact CA-O 3.32Å; Q225-V320 HydrophobicContact CB-CB 4.42Å; Q225-S486 PolarHBondContact OE1-OG 3.2Å
226	A	98.8	Very high	95.1	Very high	6 Å²	6	30.4 Å²	30.4	5%	0.05	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	150.2	-179.9	0	0	0	0	0	112.1	L280 W290 P318 V320 H321 T322	A226-L280 VanDerWaalsContact C-CD2 3.46Å; A226-W290 VanDerWaalsContact CA-O 3.31Å; A226-W290 WeakPolarHBondContact CA-O 3.44Å; A226-W290 HydrophobicContact CB-CB 4.03Å; A226-P318 HydrophobicContact CB-CB 3.9Å; A226-P318 HydrophobicContact CB-CG 3.97Å; A226-V320 PolarHBondContact N-O 3.38Å; A226-H321 CarbonylContact O-C 3.44Å; A226-H321 VanDerWaalsContact O-CA 3.3Å; A226-H321 WeakPolarHBondContact O-CA 3.46Å; A226-T322 PolarHBondContact O-N 3.49Å; A226-T322 PolarHBondContact O-OG1 2.81Å
227	C	98.4	Very high	95	Very high	5 Å²	5	32.2 Å²	32.2	3%	0.034	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	150.4	164.7	55	0	0	0	0	110.9	D276 L280 W290 Y292 T322	C227-D276 HydrophobicContact CB-CB 3.89Å; C227-L280 HydrophobicContact CB-CD2 3.8Å; C227-W290 PolarHBondContact N-O 2.93Å; C227-Y292 PolarHBondContact O-N 2.92Å; C227-T322 CarbonylContact C-O 3.53Å; C227-T322 VanDerWaalsContact CA-O 3.28Å; C227-T322 WeakPolarHBondContact CA-O 3.39Å; C227-T322 WeakPolarHBondContact CB-OG1 3.46Å
228	A	97.5	Very high	95	Very high	2 Å²	2	34.3 Å²	34.3	2%	0.017	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	131.4	178.1	0	0	0	0	0	111.1	F230 Y292 T322 V323 S324	A228-F230 HydrophobicContact CB-CE2 4.5Å; A228-F230 HydrophobicContact CB-CZ 4.14Å; A228-Y292 HydrophobicContact CB-CD1 4.23Å; A228-Y292 HydrophobicContact CB-CG 4.39Å; A228-T322 PolarHBondContact N-O 3.16Å; A228-V323 HydrophobicContact CB-CG1 4.42Å; A228-V323 WeakPolarHBondContact O-CA 3.3Å; A228-S324 PolarHBondContact O-N 2.97Å
229	Q	91.1	Very high	95.1	Very high	7 Å²	7	31.7 Å²	31.7	3%	0.033	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	163.6	169.1	62.2	77.6	26.5	0	0	110.1	L231 Q233 D276	Q229-L231 PolarHBondContact OE1-O 2.79Å; Q229-Q233 PolarHBondContact NE2-O 2.83Å; Q229-D276 WeakPolarHBondContact CB-OD2 3.42Å
230	F	93.3	Very high	95.4	Very high	11 Å²	11	28.8 Å²	28.8	5%	0.048	16%	0.159	C	C	.	.			trans	-130.3	13.9	-164.3	-55.1	-78.3	0	0	0	114.4	P178 A228 Y292 P303 F304 W307 V323 Y325	P178-F230 HydrophobicContact CG-CB 3.93Å; A228-F230 HydrophobicContact CB-CE2 4.5Å; A228-F230 HydrophobicContact CB-CZ 4.14Å; F230-Y292 HydrophobicContact CD1-CE1 4.17Å; F230-Y292 AromaticContact CE1-CD1 3.98Å; F230-Y292 HydrophobicContact CE1-CD1 3.98Å; F230-Y292 AromaticContact CE1-CE1 3.71Å; F230-Y292 HydrophobicContact CE1-CE1 3.71Å; F230-P303 HydrophobicContact CB-CB 4.01Å; F230-P303 VanDerWaalsContact CD1-C 3.48Å; F230-P303 HydrophobicContact CD1-CB 3.7Å; F230-P303 WeakPolarHBondContact CE1-O 3.38Å; F230-P303 HydrophobicContact CG-CB 4.28Å; F230-F304 HydrophobicContact CD1-CB 4.4Å; F230-F304 HydrophobicContact CE1-CB 4.31Å; F230-F304 HydrophobicContact CE1-CD2 4.47Å; F230-F304 AromaticContact CE2-CD2 3.83Å; F230-F304 HydrophobicContact CE2-CD2 3.83Å; F230-F304 HydrophobicContact CZ-CB 4.38Å; F230-F304 AromaticContact CZ-CD2 3.77Å; F230-F304 HydrophobicContact CZ-CD2 3.77Å; F230-W307 HydrophobicContact CE1-CB 3.55Å; F230-W307 HydrophobicContact CE1-CG 4.02Å; F230-W307 HydrophobicContact CZ-CB 3.89Å; F230-W307 AromaticContact CZ-CD2 3.98Å; F230-W307 HydrophobicContact CZ-CD2 3.98Å; F230-W307 HydrophobicContact CZ-CE3 4.11Å; F230-W307 AromaticContact CZ-CG 3.89Å; F230-W307 HydrophobicContact CZ-CG 3.89Å; F230-V323 HydrophobicContact CE2-CG1 3.64Å; F230-V323 HydrophobicContact CZ-CG1 4.17Å; F230-Y325 HydrophobicContact CB-CD2 4.11Å; F230-Y325 AromaticContact CD2-CD2 3.46Å; F230-Y325 HydrophobicContact CD2-CD2 3.46Å; F230-Y325 VanDerWaalsContact CD2-CD2 3.46Å; F230-Y325 HydrophobicContact CD2-CE2 4.49Å; F230-Y325 AromaticContact CD2-CG 3.9Å; F230-Y325 HydrophobicContact CD2-CG 3.9Å; F230-Y325 HydrophobicContact CE2-CD2 4.1Å; F230-Y325 HydrophobicContact CE2-CG 4.14Å; F230-Y325 AromaticContact CG-CD2 3.92Å; F230-Y325 HydrophobicContact CG-CD2 3.92Å
231	L	87.3	Confident	95.6	Very high	22 Å²	22	24.6 Å²	24.6	12%	0.115	14%	0.135	C	C	.	.	S	Bend	trans	-77.7	154.5	168.9	-62.7	-179.8	0	0	0	110.3	P178 Q229 Q233 E272	P178-L231 VanDerWaalsContact C-CD2 3.47Å; P178-L231 HydrophobicContact CB-CD2 3.77Å; P178-L231 HydrophobicContact CG-CD2 4Å; P178-L231 WeakPolarHBondContact O-CD2 3.26Å; Q229-L231 PolarHBondContact OE1-O 2.79Å; L231-Q233 HydrophobicContact CB-CG 4.01Å; L231-Q233 PolarHBondContact O-N 2.83Å; L231-E272 HydrophobicContact CD1-CB 3.82Å; L231-E272 HydrophobicContact CD1-CG 3.52Å
232	E	90.3	Very high	95.8	Very high	46 Å²	46	25.1 Å²	25.1	22%	0.215	14%	0.135	C	C	.	.	S	Bend	trans	-73.3	64.7	176.6	-171.8	71.4	-174.9	0	0	110.6	T148 P295 G296	T148-E232 HydrophobicContact CG2-CB 4.36Å; T148-E232 VanDerWaalsContact OG1-CB 3.26Å; T148-E232 WeakPolarHBondContact OG1-CB 3.42Å; E232-P295 WeakPolarHBondContact OE2-CA 3.24Å; E232-G296 WeakPolarHBondContact OE1-CA 3.25Å; E232-G296 PolarHBondContact OE1-N 2.81Å; E232-G296 PolarHBondContact OE2-N 2.86Å
233	Q	89.3	Confident	96.1	Very high	11 Å²	11	19 Å²	19	5%	0.051	10%	0.102	C	C	.	.			trans	-137.3	136.6	-175.5	-61.8	179.9	5.2	0	0	109.9	Q229 L231 G270 E272 A273 S293	Q229-Q233 PolarHBondContact NE2-O 2.83Å; L231-Q233 HydrophobicContact CB-CG 4.01Å; L231-Q233 PolarHBondContact O-N 2.83Å; Q233-G270 VanDerWaalsContact CD-CA 3.48Å; Q233-G270 VanDerWaalsContact OE1-C 3.25Å; Q233-G270 VanDerWaalsContact OE1-CA 3.22Å; Q233-E272 PolarHBondContact NE2-OE2 3.05Å; Q233-E272 PolarHBondContact OE1-OE2 2.93Å; Q233-A273 HydrophobicContact CB-CB 3.71Å; Q233-A273 VanDerWaalsContact OE1-N 3.11Å; Q233-S293 PolarHBondContact O-OG 2.98Å; Q233-S293 VanDerWaalsContact O-OG 3.13Å
234	Y	94.4	Very high	96.1	Very high	37 Å²	37	18.8 Å²	18.8	15%	0.145	10%	0.101	C	C	.	.	B	Isolated β-bridge	trans	-91.1	140.4	-178.5	-70.8	-108.5	0	0	0	111.4	Q263 G267 R268 A269 P295	Y234-Q263 HydrophobicContact CD1-CG 3.72Å; Y234-Q263 HydrophobicContact CE1-CG 4.1Å; Y234-G267 VanDerWaalsContact CD2-CA 3.47Å; Y234-R268 PolarHBondContact N-O 2.8Å; Y234-A269 VanDerWaalsContact O-CA 3.26Å; Y234-A269 WeakPolarHBondContact O-CA 3.38Å; Y234-P295 HydrophobicContact CD1-CG 3.66Å; Y234-P295 HydrophobicContact CD2-CB 3.85Å; Y234-P295 HydrophobicContact CD2-CG 3.69Å; Y234-P295 HydrophobicContact CE1-CB 4.36Å; Y234-P295 HydrophobicContact CE1-CG 3.61Å; Y234-P295 HydrophobicContact CE2-CB 3.53Å; Y234-P295 HydrophobicContact CE2-CG 3.62Å; Y234-P295 HydrophobicContact CG-CB 4.38Å; Y234-P295 HydrophobicContact CG-CG 3.69Å
235	F	96.3	Very high	96.1	Very high	9 Å²	9	26.4 Å²	26.4	4%	0.039	13%	0.127	C	C	.	.			trans	-75.6	135.8	165.8	164	-102.1	0	0	0	111.2	D237 L240 V257 V260 Q263 V277 V291	F235-D237 HydrophobicContact CE1-CB 4.31Å; F235-D237 HydrophobicContact CZ-CB 4.29Å; F235-D237 WeakPolarHBondContact CZ-OD1 3.3Å; F235-L240 HydrophobicContact CE2-CB 4.33Å; F235-L240 HydrophobicContact CE2-CD2 4.4Å; F235-L240 HydrophobicContact CZ-CD2 4.25Å; F235-V257 HydrophobicContact CD1-CG2 4.42Å; F235-V257 HydrophobicContact CE1-CB 4.47Å; F235-V257 HydrophobicContact CE1-CG1 4.14Å; F235-V257 HydrophobicContact CE1-CG2 3.49Å; F235-V257 VanDerWaalsContact CE1-CG2 3.49Å; F235-V257 HydrophobicContact CE2-CG1 4.06Å; F235-V257 HydrophobicContact CZ-CB 4.28Å; F235-V257 HydrophobicContact CZ-CG1 3.54Å; F235-V257 HydrophobicContact CZ-CG2 3.75Å; F235-V260 HydrophobicContact CD1-CG2 3.73Å; F235-V260 HydrophobicContact CE1-CG2 3.87Å; F235-Q263 PolarHBondContact O-NE2 2.73Å; F235-Q263 VanDerWaalsContact O-NE2 3.16Å; F235-V277 HydrophobicContact CD2-CG1 3.83Å; F235-V277 HydrophobicContact CE2-CB 4.41Å; F235-V277 HydrophobicContact CE2-CG1 3.76Å; F235-V277 HydrophobicContact CE2-CG2 4.03Å; F235-V291 HydrophobicContact CB-CG1 3.91Å; F235-V291 HydrophobicContact CD2-CG1 4.43Å; F235-V291 HydrophobicContact CD2-CG2 4.22Å; F235-V291 HydrophobicContact CE2-CG2 4.35Å; F235-V291 HydrophobicContact CG-CB 4.47Å; F235-V291 HydrophobicContact CG-CG1 4.06Å; F235-V291 HydrophobicContact CG-CG2 4.37Å
236	H	97.8	Very high	96.1	Very high	49 Å²	49	31 Å²	31	23%	0.227	15%	0.151	C	C	.	.			trans	-122.7	112.6	177.5	-77.9	-158.5	0	0	0	111.6	S238 D239 L240 G267 A269	H236-S238 PolarHBondContact O-N 3.03Å; H236-D239 HydrophobicContact CB-CB 4.08Å; H236-D239 IonicContact ND1-OD2 3.94Å; H236-D239 PolarHBondContact O-N 3.19Å; H236-L240 PolarHBondContact O-N 3.36Å; H236-G267 PolarHBondContact CE1-O 3.1Å; H236-G267 PolarHBondContact NE2-O 3.26Å; H236-A269 HydrophobicContact CB-CB 4.4Å
237	D	96.6	Very high	96	Very high	68 Å²	68	32.5 Å²	32.5	36%	0.364	16%	0.156	S	C	.	.	H	α-helix	trans	-56.9	-32.7	171.8	-85.5	-60.6	0	0	0	112.5	F235 D239 L240 A241 S256 V257	F235-D237 HydrophobicContact CE1-CB 4.31Å; F235-D237 HydrophobicContact CZ-CB 4.29Å; F235-D237 WeakPolarHBondContact CZ-OD1 3.3Å; D237-D239 VanDerWaalsContact C-N 3.27Å; D237-D239 PolarHBondContact O-N 3.25Å; D237-L240 PolarHBondContact O-N 3.23Å; D237-A241 WeakPolarHBondContact O-CB 3.42Å; D237-A241 PolarHBondContact O-N 3.41Å; D237-S256 WeakPolarHBondContact OD1-CA 3.23Å; D237-V257 PolarHBondContact OD1-N 3.22Å
238	S	97.9	Very high	96	Very high	44 Å²	44	32.2 Å²	32.2	31%	0.308	16%	0.155	S	C	.	.	H	α-helix	trans	-65.2	-32.2	178.7	59.1	0	0	0	0	113.2	H236 Q242	H236-S238 PolarHBondContact O-N 3.03Å; S238-Q242 WeakPolarHBondContact O-CB 3.41Å; S238-Q242 PolarHBondContact O-N 2.99Å; S238-Q242 VanDerWaalsContact O-N 3.08Å
239	D	98.5	Very high	96	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.005	19%	0.188	C	C	.	.	H	α-helix	trans	-74.5	-43.3	177.7	-70.7	-12.7	0	0	0	110.2	H236 D237 A241 Q242 F243 V462 S463 N464 R465	H236-D239 HydrophobicContact CB-CB 4.08Å; H236-D239 IonicContact ND1-OD2 3.94Å; H236-D239 PolarHBondContact O-N 3.19Å; D237-D239 VanDerWaalsContact C-N 3.27Å; D237-D239 PolarHBondContact O-N 3.25Å; D239-A241 VanDerWaalsContact C-N 3.34Å; D239-A241 PolarHBondContact O-N 3.1Å; D239-Q242 PolarHBondContact O-N 2.98Å; D239-F243 WeakPolarHBondContact O-CB 3.42Å; D239-F243 PolarHBondContact O-N 3.05Å; D239-V462 HydrophobicContact CB-CG1 4.06Å; D239-S463 WeakPolarHBondContact OD2-CA 3.43Å; D239-N464 PolarHBondContact OD2-N 2.86Å; D239-R465 WeakPolarHBondContact OD1-CA 3.41Å; D239-R465 PolarHBondContact OD1-N 3.23Å
240	L	98.8	Very high	96.3	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.005	22%	0.219	C	C	.	.	H	α-helix	trans	-57.2	-47	171.7	175.5	63.2	0	0	0	111.4	F235 H236 D237 Q242 F243 M244 V257 V277 Q278 M281	F235-L240 HydrophobicContact CE2-CB 4.33Å; F235-L240 HydrophobicContact CE2-CD2 4.4Å; F235-L240 HydrophobicContact CZ-CD2 4.25Å; H236-L240 PolarHBondContact O-N 3.36Å; D237-L240 PolarHBondContact O-N 3.23Å; L240-Q242 VanDerWaalsContact C-N 3.3Å; L240-Q242 PolarHBondContact O-N 2.89Å; L240-F243 WeakPolarHBondContact O-CB 3.48Å; L240-F243 PolarHBondContact O-N 3.46Å; L240-M244 HydrophobicContact CD1-CE 3.86Å; L240-M244 HydrophobicContact CD1-CG 4.11Å; L240-M244 WeakPolarHBondContact O-CB 3.41Å; L240-M244 WeakPolarHBondContact O-CG 3.33Å; L240-M244 PolarHBondContact O-N 2.9Å; L240-V257 HydrophobicContact CD2-CG1 3.89Å; L240-V277 HydrophobicContact CD2-CG2 4.37Å; L240-Q278 HydrophobicContact CD1-CG 4.08Å; L240-M281 HydrophobicContact CD1-SD 3.96Å; L240-M281 HydrophobicContact CD2-CE 3.97Å; L240-M281 HydrophobicContact CD2-SD 3.49Å; L240-M281 WeakPolarHBondContact CD2-SD 3.2Å; L240-M281 HydrophobicContact CG-SD 4.35Å
241	A	98.6	Very high	96.5	Very high	19 Å²	19	41.2 Å²	41.2	16%	0.157	22%	0.219	C	C	.	.	H	α-helix	trans	-62.4	-37.6	178.3	0	0	0	0	0	112.2	D237 D239 R245 A255	D237-A241 WeakPolarHBondContact O-CB 3.42Å; D237-A241 PolarHBondContact O-N 3.41Å; D239-A241 VanDerWaalsContact C-N 3.34Å; D239-A241 PolarHBondContact O-N 3.1Å; A241-R245 WeakPolarHBondContact O-CG 3.35Å; A241-R245 PolarHBondContact O-N 3.3Å; A241-R245 VanDerWaalsContact O-N 3.11Å; A241-R245 PolarHBondContact O-NH1 3.14Å; A241-A255 HydrophobicContact CB-CB 4.31Å
242	Q	98.6	Very high	97.1	Very high	40 Å²	40	42.6 Å²	42.6	19%	0.187	23%	0.233	C	C	.	.	H	α-helix	trans	-69.6	-43.3	174.6	179.5	175.5	-14	0	0	112.1	S238 D239 L240 M244 R245 L246 V462 R465	S238-Q242 WeakPolarHBondContact O-CB 3.41Å; S238-Q242 PolarHBondContact O-N 2.99Å; S238-Q242 VanDerWaalsContact O-N 3.08Å; D239-Q242 PolarHBondContact O-N 2.98Å; L240-Q242 VanDerWaalsContact C-N 3.3Å; L240-Q242 PolarHBondContact O-N 2.89Å; Q242-M244 VanDerWaalsContact C-N 3.32Å; Q242-M244 PolarHBondContact O-N 3.47Å; Q242-R245 PolarHBondContact O-N 2.68Å; Q242-L246 HydrophobicContact CG-CD1 4.21Å; Q242-L246 WeakPolarHBondContact O-CG 3.34Å; Q242-L246 PolarHBondContact O-N 2.85Å; Q242-V462 HydrophobicContact CB-CG1 4.16Å; Q242-V462 HydrophobicContact CG-CG1 4.08Å; Q242-V462 HydrophobicContact CG-CG2 4.39Å; Q242-R465 PolarHBondContact NE2-O 3.5Å; Q242-R465 VanDerWaalsContact OE1-CA 3.26Å; Q242-R465 VanDerWaalsContact OE1-CB 3.3Å; Q242-R465 PolarHBondContact OE1-O 3.31Å
243	F	98.8	Very high	97.5	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-56.3	-48	175.2	177.8	-87.5	0	0	0	111.1	P202 D239 L240 R245 L246 F247 Q278 Y279 S282 W460 V462	P202-F243 HydrophobicContact CG-CE1 3.59Å; P202-F243 HydrophobicContact CG-CE2 4.49Å; P202-F243 HydrophobicContact CG-CZ 3.39Å; D239-F243 WeakPolarHBondContact O-CB 3.42Å; D239-F243 PolarHBondContact O-N 3.05Å; L240-F243 WeakPolarHBondContact O-CB 3.48Å; L240-F243 PolarHBondContact O-N 3.46Å; F243-R245 VanDerWaalsContact C-N 3.35Å; F243-R245 PolarHBondContact O-N 2.9Å; F243-L246 PolarHBondContact O-N 3.3Å; F243-L246 VanDerWaalsContact O-N 3.11Å; F243-F247 AromaticContact CD2-CD2 3.58Å; F243-F247 HydrophobicContact CD2-CD2 3.58Å; F243-F247 AromaticContact CD2-CE2 3.94Å; F243-F247 HydrophobicContact CD2-CE2 3.94Å; F243-F247 HydrophobicContact CE1-CD2 4.45Å; F243-F247 AromaticContact CE2-CD2 3.51Å; F243-F247 HydrophobicContact CE2-CD2 3.51Å; F243-F247 AromaticContact CE2-CE2 3.93Å; F243-F247 HydrophobicContact CE2-CE2 3.93Å; F243-F247 HydrophobicContact CG-CD2 4.11Å; F243-F247 AromaticContact CZ-CD2 3.99Å; F243-F247 HydrophobicContact CZ-CD2 3.99Å; F243-F247 PolarHBondContact O-N 3.19Å; F243-Q278 HydrophobicContact CB-CG 3.97Å; F243-Q278 HydrophobicContact CD1-CB 3.81Å; F243-Q278 HydrophobicContact CD1-CG 3.93Å; F243-Q278 HydrophobicContact CD2-CB 3.97Å; F243-Q278 HydrophobicContact CD2-CG 3.98Å; F243-Q278 HydrophobicContact CE1-CB 3.79Å; F243-Q278 HydrophobicContact CE1-CG 4.42Å; F243-Q278 WeakPolarHBondContact CE1-O 3.42Å; F243-Q278 HydrophobicContact CE2-CB 3.95Å; F243-Q278 HydrophobicContact CE2-CG 4.46Å; F243-Q278 HydrophobicContact CG-CB 3.9Å; F243-Q278 HydrophobicContact CG-CG 3.68Å; F243-Q278 HydrophobicContact CZ-CB 3.85Å; F243-Y279 AromaticContact CE2-CE2 3.9Å; F243-Y279 HydrophobicContact CE2-CE2 3.9Å; F243-Y279 HydrophobicContact CZ-CD2 4.26Å; F243-Y279 AromaticContact CZ-CE2 3.85Å; F243-Y279 HydrophobicContact CZ-CE2 3.85Å; F243-S282 WeakPolarHBondContact CE1-OG 3.46Å; F243-W460 WeakPolarHBondContact CE2-O 3.48Å; F243-V462 HydrophobicContact CB-CB 4.08Å; F243-V462 HydrophobicContact CB-CG2 3.85Å; F243-V462 HydrophobicContact CD2-CG2 4.16Å
244	M	98.6	Very high	97.9	Very high	1 Å²	1	45.3 Å²	45.3	1%	0.005	25%	0.246	C	C	.	.	H	α-helix	trans	-65.4	-35.1	178.5	-72	-59.7	176.6	0	0	112.8	L240 Q242 L246 G248 H253 M281	L240-M244 HydrophobicContact CD1-CE 3.86Å; L240-M244 HydrophobicContact CD1-CG 4.11Å; L240-M244 WeakPolarHBondContact O-CB 3.41Å; L240-M244 WeakPolarHBondContact O-CG 3.33Å; L240-M244 PolarHBondContact O-N 2.9Å; Q242-M244 VanDerWaalsContact C-N 3.32Å; Q242-M244 PolarHBondContact O-N 3.47Å; M244-L246 VanDerWaalsContact C-N 3.35Å; M244-G248 WeakPolarHBondContact O-CA 3.49Å; M244-G248 PolarHBondContact O-N 3.45Å; M244-H253 HydrophobicContact SD-CB 3.94Å; M244-M281 HydrophobicContact CE-CB 3.52Å
245	R	98.5	Very high	98	Very high	176 Å²	176	45.7 Å²	45.7	66%	0.664	26%	0.257	S	S	*	.	H	α-helix	trans	-64.4	-37.5	170.6	-75.7	-171.7	-58.5	-88	3.3	113	A241 Q242 F243	A241-R245 WeakPolarHBondContact O-CG 3.35Å; A241-R245 PolarHBondContact O-N 3.3Å; A241-R245 VanDerWaalsContact O-N 3.11Å; A241-R245 PolarHBondContact O-NH1 3.14Å; Q242-R245 PolarHBondContact O-N 2.68Å; F243-R245 VanDerWaalsContact C-N 3.35Å; F243-R245 PolarHBondContact O-N 2.9Å
246	L	97.9	Very high	98.1	Very high	95 Å²	95	48.5 Å²	48.5	50%	0.497	28%	0.277	S	S	.	.	H	α-helix	trans	-75.3	-41.6	-179.3	-72.6	172.5	0	0	0	112.4	Q242 F243 M244 V462 P467	Q242-L246 HydrophobicContact CG-CD1 4.21Å; Q242-L246 WeakPolarHBondContact O-CG 3.34Å; Q242-L246 PolarHBondContact O-N 2.85Å; F243-L246 PolarHBondContact O-N 3.3Å; F243-L246 VanDerWaalsContact O-N 3.11Å; M244-L246 VanDerWaalsContact C-N 3.35Å; L246-V462 HydrophobicContact CD1-CG2 3.92Å; L246-P467 HydrophobicContact CD1-CB 4.49Å
247	F	98.3	Very high	98.1	Very high	38 Å²	38	47 Å²	47	17%	0.167	27%	0.272	C	S	.	.	H	α-helix	trans	-122.5	-11.5	-165.8	-58.6	-60.7	0	0	0	115.2	T201 P202 F243 W460	T201-F247 HydrophobicContact CG2-CD1 3.87Å; T201-F247 HydrophobicContact CG2-CE1 3.62Å; T201-F247 HydrophobicContact CG2-CZ 4.28Å; P202-F247 HydrophobicContact CB-CB 4.26Å; P202-F247 HydrophobicContact CG-CB 3.64Å; P202-F247 HydrophobicContact CG-CG 4.43Å; F243-F247 AromaticContact CD2-CD2 3.58Å; F243-F247 HydrophobicContact CD2-CD2 3.58Å; F243-F247 AromaticContact CD2-CE2 3.94Å; F243-F247 HydrophobicContact CD2-CE2 3.94Å; F243-F247 HydrophobicContact CE1-CD2 4.45Å; F243-F247 AromaticContact CE2-CD2 3.51Å; F243-F247 HydrophobicContact CE2-CD2 3.51Å; F243-F247 AromaticContact CE2-CE2 3.93Å; F243-F247 HydrophobicContact CE2-CE2 3.93Å; F243-F247 HydrophobicContact CG-CD2 4.11Å; F243-F247 AromaticContact CZ-CD2 3.99Å; F243-F247 HydrophobicContact CZ-CD2 3.99Å; F243-F247 PolarHBondContact O-N 3.19Å; F247-W460 HydrophobicContact CE2-CB 4.07Å; F247-W460 HydrophobicContact CZ-CB 3.81Å; F247-W460 HydrophobicContact CZ-CD2 4.39Å; F247-W460 HydrophobicContact CZ-CG 4.13Å
248	G	97.7	Very high	98.2	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	28%	0.278	C	S	.	.			trans	-91.5	1.3	-174.7	0	0	0	0	0	115.6	M244 N250 F251 H253	M244-G248 WeakPolarHBondContact O-CA 3.49Å; M244-G248 PolarHBondContact O-N 3.45Å; G248-N250 PolarHBondContact O-N 2.99Å; G248-F251 PolarHBondContact O-N 2.86Å; G248-H253 PolarHBondContact O-CE1 3.2Å; G248-H253 PolarHBondContact O-ND1 3.34Å
249	G	97.5	Very high	98.1	Very high	70 Å²	70	50.1 Å²	50.1	72%	0.722	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-17.5	-168.2	0	0	0	0	0	116.7
250	N	97.1	Very high	98.1	Very high	125 Å²	125	52.6 Å²	52.6	67%	0.668	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.1	7.3	-173.3	-65.3	-27.4	0	0	0	114.3	S213 G248	S213-N250 WeakPolarHBondContact CB-O 3.22Å; G248-N250 PolarHBondContact O-N 2.99Å
251	F	98.4	Very high	97.9	Very high	14 Å²	14	54 Å²	54	6%	0.061	30%	0.304	C	S	.	.	S	Bend	trans	-148.8	151.7	175.7	58.1	-88.7	0	0	0	110.5	P202 R206 V216 G248 H253 A285	P202-F251 HydrophobicContact CB-CE1 3.86Å; P202-F251 HydrophobicContact CB-CZ 3.92Å; R206-F251 VanDerWaalsContact CD-CD1 3.46Å; V216-F251 HydrophobicContact CG1-CB 4.32Å; G248-F251 PolarHBondContact O-N 2.86Å; F251-H253 HydrophobicContact CD2-CB 4.08Å; F251-H253 HydrophobicContact CE2-CB 3.85Å; F251-H253 PolarHBondContact O-N 3.44Å; F251-H253 PolarHBondContact O-ND1 3.46Å; F251-A285 HydrophobicContact CD2-CB 3.67Å; F251-A285 HydrophobicContact CE2-CB 3.89Å
252	A	98.5	Very high	97.5	Very high	50 Å²	50	54.6 Å²	54.6	41%	0.413	31%	0.312	S	S	.	.			trans	-66.1	133.2	175.4	0	0	0	0	0	110.2	V216	V216-A252 HydrophobicContact CG1-CB 4.4Å; V216-A252 HydrophobicContact CG2-CB 4.17Å
253	H	98.6	Very high	97.1	Very high	64 Å²	64	55.1 Å²	55.1	30%	0.296	32%	0.315	S	S	.	.			trans	-149	159.5	-175.1	59.8	-93.1	0	0	0	111.8	M244 G248 F251	M244-H253 HydrophobicContact SD-CB 3.94Å; G248-H253 PolarHBondContact O-CE1 3.2Å; G248-H253 PolarHBondContact O-ND1 3.34Å; F251-H253 HydrophobicContact CD2-CB 4.08Å; F251-H253 HydrophobicContact CE2-CB 3.85Å; F251-H253 PolarHBondContact O-N 3.44Å; F251-H253 PolarHBondContact O-ND1 3.46Å
254	Q	98.3	Very high	96.3	Very high	51 Å²	51	61.9 Å²	61.9	24%	0.238	35%	0.346	C	S	.	.			trans	-97.1	144.6	167.8	-66.1	174.9	19.7	0	0	109.1	M281	Q254-M281 HydrophobicContact CB-CE 3.73Å; Q254-M281 WeakPolarHBondContact O-CE 3.39Å
255	A	97.7	Very high	95.7	Very high	45 Å²	45	65.1 Å²	65.1	37%	0.372	38%	0.38	S	S	.	.	S	Bend	trans	-108.3	7.8	-179	0	0	0	0	0	113.3	A241	A241-A255 HydrophobicContact CB-CB 4.31Å
256	S	97.9	Very high	95.1	Very high	67 Å²	67	68.4 Å²	68.4	47%	0.469	39%	0.392	S	S	.	.	S	Bend	trans	-144.9	155.2	174.5	61.7	0	0	0	0	109.6	D237	D237-S256 WeakPolarHBondContact OD1-CA 3.23Å
257	V	97.8	Very high	94.8	Very high	18 Å²	18	65.1 Å²	65.1	11%	0.109	38%	0.382	C	S	.	.			trans	-82.5	156	175.4	-61.3	0	0	0	0	111	F235 D237 L240 V260 V277 M281 V291	F235-V257 HydrophobicContact CD1-CG2 4.42Å; F235-V257 HydrophobicContact CE1-CB 4.47Å; F235-V257 HydrophobicContact CE1-CG1 4.14Å; F235-V257 HydrophobicContact CE1-CG2 3.49Å; F235-V257 VanDerWaalsContact CE1-CG2 3.49Å; F235-V257 HydrophobicContact CE2-CG1 4.06Å; F235-V257 HydrophobicContact CZ-CB 4.28Å; F235-V257 HydrophobicContact CZ-CG1 3.54Å; F235-V257 HydrophobicContact CZ-CG2 3.75Å; D237-V257 PolarHBondContact OD1-N 3.22Å; L240-V257 HydrophobicContact CD2-CG1 3.89Å; V257-V260 HydrophobicContact CG2-CG2 3.59Å; V257-V277 HydrophobicContact CG1-CG2 3.66Å; V257-M281 HydrophobicContact CG1-SD 3.96Å; V257-V291 HydrophobicContact CB-CG2 4.37Å; V257-V291 HydrophobicContact CG1-CG2 3.68Å
258	T	97.5	Very high	94.4	Very high	79 Å²	79	72.7 Å²	72.7	49%	0.485	41%	0.409	S	S	.	.	S	Bend	trans	-79.4	-33.1	179	-44.9	0	0	0	0	111.8	S288 T289	T258-S288 WeakPolarHBondContact OG1-CA 3.49Å; T258-S288 WeakPolarHBondContact OG1-CB 3.48Å; T258-T289 PolarHBondContact N-O 3.33Å; T258-T289 PolarHBondContact OG1-N 3.25Å; T258-T289 VanDerWaalsContact OG1-N 3.16Å
259	R	97.3	Very high	94.2	Very high	99 Å²	99	73 Å²	73	37%	0.374	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	135.5	179.9	-169.3	176	179.7	179.4	-2.9	110.8	V261 W290 V291 E314	R259-V261 HydrophobicContact CG-CG2 3.94Å; R259-W290 HydrophobicContact CB-CB 4.49Å; R259-W290 HydrophobicContact CB-CD2 3.87Å; R259-W290 HydrophobicContact CB-CG 3.78Å; R259-W290 HydrophobicContact CG-CD2 4.31Å; R259-W290 CarbonylContact O-C 3.57Å; R259-W290 VanDerWaalsContact O-CA 3.28Å; R259-W290 WeakPolarHBondContact O-CA 3.34Å; R259-V291 PolarHBondContact O-N 2.95Å; R259-E314 IonicContact CZ-OE2 3.66Å; R259-E314 IonicContact NH1-OE2 3.64Å; R259-E314 PolarHBondContact NH1-OE2 3.1Å; R259-E314 IonicContact NH2-OE2 2.71Å; R259-E314 PolarHBondContact NH2-OE2 3.39Å
260	V	96.9	Very high	93.9	Very high	52 Å²	52	70.1 Å²	70.1	32%	0.315	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	131.1	165	-176.7	0	0	0	0	107.9	F235 V257 Q263 V291	F235-V260 HydrophobicContact CD1-CG2 3.73Å; F235-V260 HydrophobicContact CE1-CG2 3.87Å; V257-V260 HydrophobicContact CG2-CG2 3.59Å; V260-Q263 HydrophobicContact CG1-CB 3.65Å; V260-V291 CarbonylContact C-O 3.18Å; V260-V291 WeakPolarHBondContact CA-O 3.35Å
261	V	94.9	Very high	93.8	Very high	31 Å²	31	65.2 Å²	65.2	19%	0.188	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	132.4	-178.7	-175.5	0	0	0	0	109	R259 Q263 W290 V291 Y292 S293 L310	R259-V261 HydrophobicContact CG-CG2 3.94Å; V261-Q263 VanDerWaalsContact C-N 3.35Å; V261-Q263 PolarHBondContact O-N 2.79Å; V261-W290 HydrophobicContact CG2-CE3 4.11Å; V261-V291 PolarHBondContact N-O 3.42Å; V261-Y292 HydrophobicContact CB-CD2 3.92Å; V261-Y292 HydrophobicContact CG1-CD2 3.75Å; V261-Y292 HydrophobicContact CG1-CE2 4.05Å; V261-S293 PolarHBondContact O-N 3.23Å; V261-S293 VanDerWaalsContact O-O 3.06Å; V261-L310 HydrophobicContact CG1-CD1 4.2Å
262	G	90.6	Very high	93.5	Very high	32 Å²	32	67 Å²	67	33%	0.33	36%	0.364	S	S	.	.	S	Bend	trans	92.6	-33.9	177.6	0	0	0	0	0	114.7	Q264 S293	G262-Q264 PolarHBondContact O-N 3.38Å; G262-S293 CarbonylContact C-O 3.51Å; G262-S293 WeakPolarHBondContact CA-O 3.4Å
263	Q	90.3	Very high	93.2	Very high	50 Å²	50	64.9 Å²	64.9	23%	0.234	35%	0.346	C	S	.	.			trans	-76.2	125.3	-171.3	-170.1	172	-70.9	0	0	111.7	Y234 F235 V260 V261 S293 P295	Y234-Q263 HydrophobicContact CD1-CG 3.72Å; Y234-Q263 HydrophobicContact CE1-CG 4.1Å; F235-Q263 PolarHBondContact O-NE2 2.73Å; F235-Q263 VanDerWaalsContact O-NE2 3.16Å; V260-Q263 HydrophobicContact CG1-CB 3.65Å; V261-Q263 VanDerWaalsContact C-N 3.35Å; V261-Q263 PolarHBondContact O-N 2.79Å; Q263-S293 VanDerWaalsContact CA-O 3.24Å; Q263-S293 WeakPolarHBondContact CA-O 3.42Å; Q263-S293 WeakPolarHBondContact CB-O 3.4Å; Q263-S293 PolarHBondContact N-O 3.34Å; Q263-S293 PolarHBondContact OE1-OG 3.29Å; Q263-P295 HydrophobicContact CG-CG 4.25Å
264	Q	81.4	Confident	93.2	Very high	142 Å²	142	62 Å²	62	66%	0.664	33%	0.334	S	S	*	.			trans	-117	143.8	170.4	-62.8	-169.7	0.2	0	0	110.9	G262	G262-Q264 PolarHBondContact O-N 3.38Å
265	G	87.4	Confident	93.2	Very high	69 Å²	69	59.8 Å²	59.8	71%	0.711	32%	0.323	S	S	*	.	S	Bend	trans	72.2	-153.7	176.3	0	0	0	0	0	114.2
266	R	86.1	Confident	93.1	Very high	246 Å²	246	57.9 Å²	57.9	93%	0.928	31%	0.307	S	S	*	.			trans	-128.6	142.2	179.9	-63.6	-179	-179.7	179.3	0.1	108.4
267	G	89.8	Confident	93.1	Very high	26 Å²	26	54.7 Å²	54.7	27%	0.268	29%	0.285	S	S	.	.			trans	-156.5	-172.8	174.8	0	0	0	0	0	111.5	Y234 H236	Y234-G267 VanDerWaalsContact CD2-CA 3.47Å; H236-G267 PolarHBondContact CE1-O 3.1Å; H236-G267 PolarHBondContact NE2-O 3.26Å
268	R	91.1	Very high	93.2	Very high	196 Å²	196	53.9 Å²	53.9	74%	0.74	28%	0.28	S	S	*	.			trans	-78	136.8	-177.5	-165.3	-178.7	175.1	117.2	-1	110.3	Y234 N464	Y234-R268 PolarHBondContact N-O 2.8Å; R268-N464 WeakPolarHBondContact CG-OD1 3.26Å
269	A	93.1	Very high	93.2	Very high	6 Å²	6	50.2 Å²	50.2	5%	0.05	26%	0.257	C	S	.	.	B	Isolated β-bridge	trans	-72.8	162	171	0	0	0	0	0	110.9	Y234 H236 N464	Y234-A269 VanDerWaalsContact O-CA 3.26Å; Y234-A269 WeakPolarHBondContact O-CA 3.38Å; H236-A269 HydrophobicContact CB-CB 4.4Å; A269-N464 PolarHBondContact N-OD1 3.06Å; A269-N464 PolarHBondContact O-ND2 2.95Å
270	G	91.9	Very high	93.3	Very high	10 Å²	10	45.5 Å²	45.5	10%	0.103	24%	0.239	C	C	.	.			trans	-137.1	178.8	172.5	0	0	0	0	0	111.9	Q233 S274 S463	Q233-G270 VanDerWaalsContact CD-CA 3.48Å; Q233-G270 VanDerWaalsContact OE1-C 3.25Å; Q233-G270 VanDerWaalsContact OE1-CA 3.22Å; G270-S274 WeakPolarHBondContact O-CB 3.36Å; G270-S274 PolarHBondContact O-N 2.71Å; G270-S274 PolarHBondContact O-OG 3.29Å; G270-S274 VanDerWaalsContact O-OG 3.13Å; G270-S463 WeakPolarHBondContact CA-OG 3.48Å; G270-S463 PolarHBondContact N-OG 3.32Å; G270-S463 PolarHBondContact O-OG 3.43Å
271	I	94	Very high	93.4	Very high	23 Å²	23	43.1 Å²	43.1	12%	0.118	23%	0.225	C	C	.	.	H	α-helix	trans	-71.8	-48.3	-172.9	-73	171.7	0	0	0	110	R185 S274 L275 V461 I468 V471	R185-I271 VanDerWaalsContact CZ-CD1 3.44Å; I271-S274 WeakPolarHBondContact O-CB 3.49Å; I271-S274 PolarHBondContact O-N 2.67Å; I271-S274 VanDerWaalsContact O-N 3.14Å; I271-L275 VanDerWaalsContact O-CB 3.29Å; I271-L275 WeakPolarHBondContact O-CB 3.16Å; I271-L275 PolarHBondContact O-N 3.34Å; I271-V461 HydrophobicContact CG1-CG2 4.5Å; I271-V461 HydrophobicContact CG2-CG2 4.32Å; I271-I468 HydrophobicContact CD1-CD1 4.31Å; I271-I468 HydrophobicContact CD1-CG2 4.17Å; I271-I468 HydrophobicContact CG1-CD1 4.03Å; I271-V471 HydrophobicContact CG2-CB 4.27Å; I271-V471 HydrophobicContact CG2-CG1 3.53Å; I271-V471 HydrophobicContact CG2-CG2 3.67Å
272	E	92.1	Very high	93.6	Very high	50 Å²	50	41.7 Å²	41.7	23%	0.234	22%	0.216	C	C	.	.	H	α-helix	trans	-63.7	-45.4	-179.3	-67.4	75.4	-166.6	0	0	111.1	L231 Q233 S274 L275 D276	L231-E272 HydrophobicContact CD1-CB 3.82Å; L231-E272 HydrophobicContact CD1-CG 3.52Å; Q233-E272 PolarHBondContact NE2-OE2 3.05Å; Q233-E272 PolarHBondContact OE1-OE2 2.93Å; E272-S274 PolarHBondContact O-N 3.12Å; E272-S274 VanDerWaalsContact O-N 3.14Å; E272-L275 PolarHBondContact O-N 3.38Å; E272-D276 PolarHBondContact O-N 2.69Å
273	A	93.1	Very high	94	Very high	6 Å²	6	40.2 Å²	40.2	5%	0.05	20%	0.2	C	C	.	.	H	α-helix	trans	-63.6	-19.2	175.8	0	0	0	0	0	114.3	Q233	Q233-A273 HydrophobicContact CB-CB 3.71Å; Q233-A273 VanDerWaalsContact OE1-N 3.11Å
274	S	98.1	Very high	94.4	Very high	4 Å²	4	37.8 Å²	37.8	3%	0.028	19%	0.189	C	C	.	.	H	α-helix	trans	-90.6	-44.7	173.3	-75.2	0	0	0	0	112.3	G270 I271 E272 D276 V277 Q278 V462	G270-S274 WeakPolarHBondContact O-CB 3.36Å; G270-S274 PolarHBondContact O-N 2.71Å; G270-S274 PolarHBondContact O-OG 3.29Å; G270-S274 VanDerWaalsContact O-OG 3.13Å; I271-S274 WeakPolarHBondContact O-CB 3.49Å; I271-S274 PolarHBondContact O-N 2.67Å; I271-S274 VanDerWaalsContact O-N 3.14Å; E272-S274 PolarHBondContact O-N 3.12Å; E272-S274 VanDerWaalsContact O-N 3.14Å; S274-D276 PolarHBondContact O-N 3.38Å; S274-V277 WeakPolarHBondContact O-CG1 3.26Å; S274-Q278 WeakPolarHBondContact O-CB 3.48Å; S274-Q278 VanDerWaalsContact O-CD 3.25Å; S274-Q278 WeakPolarHBondContact O-CG 3.27Å; S274-Q278 PolarHBondContact O-N 3.32Å; S274-Q278 VanDerWaalsContact O-N 3.09Å; S274-V462 VanDerWaalsContact CB-O 3.24Å; S274-V462 WeakPolarHBondContact CB-O 3.32Å; S274-V462 PolarHBondContact OG-O 3.25Å
275	L	98.2	Very high	95.2	Very high	4 Å²	4	31 Å²	31	2%	0.021	16%	0.158	C	C	.	.	H	α-helix	trans	-55.8	-53.6	-173.4	176.6	64.6	0	0	0	111.4	I271 E272 V277 Q278 Y279 Y459 V461 V471 A476	I271-L275 VanDerWaalsContact O-CB 3.29Å; I271-L275 WeakPolarHBondContact O-CB 3.16Å; I271-L275 PolarHBondContact O-N 3.34Å; E272-L275 PolarHBondContact O-N 3.38Å; L275-V277 PolarHBondContact O-N 3.1Å; L275-Q278 PolarHBondContact O-N 2.9Å; L275-Y279 HydrophobicContact CD1-CD2 3.9Å; L275-Y279 HydrophobicContact CD1-CE2 4.22Å; L275-Y279 PolarHBondContact O-N 2.89Å; L275-Y279 VanDerWaalsContact O-N 3.1Å; L275-Y459 HydrophobicContact CD1-CD1 4.14Å; L275-Y459 HydrophobicContact CD1-CG 4.37Å; L275-V461 HydrophobicContact CB-CG1 3.94Å; L275-V461 HydrophobicContact CD1-CG1 3.71Å; L275-V461 HydrophobicContact CG-CG1 4.46Å; L275-V471 HydrophobicContact CD1-CG1 3.98Å; L275-V471 HydrophobicContact CD2-CG1 3.8Å; L275-V471 HydrophobicContact CG-CG1 4.36Å; L275-A476 HydrophobicContact CD1-CB 3.91Å; L275-A476 HydrophobicContact CD2-CB 3.96Å; L275-A476 HydrophobicContact CG-CB 4.3Å
276	D	95.4	Very high	95.7	Very high	5 Å²	5	29.9 Å²	29.9	3%	0.027	14%	0.135	C	C	.	.	H	α-helix	trans	-61.2	-51.6	-169.6	-56.6	-14.1	0	0	0	111.4	C227 Q229 E272 S274 L280 P479	C227-D276 HydrophobicContact CB-CB 3.89Å; Q229-D276 WeakPolarHBondContact CB-OD2 3.42Å; E272-D276 PolarHBondContact O-N 2.69Å; S274-D276 PolarHBondContact O-N 3.38Å; D276-L280 WeakPolarHBondContact O-CB 3.47Å; D276-L280 PolarHBondContact O-N 2.71Å; D276-P479 VanDerWaalsContact O-CB 3.29Å; D276-P479 WeakPolarHBondContact O-CB 3.31Å
277	V	98.6	Very high	96.3	Very high	1 Å²	1	18.5 Å²	18.5	1%	0.006	9%	0.093	C	C	.	.	H	α-helix	trans	-69.9	-41.2	-178	63.9	0	0	0	0	112.2	F235 L240 V257 S274 L275 Y279 M281 V291	F235-V277 HydrophobicContact CD2-CG1 3.83Å; F235-V277 HydrophobicContact CE2-CB 4.41Å; F235-V277 HydrophobicContact CE2-CG1 3.76Å; F235-V277 HydrophobicContact CE2-CG2 4.03Å; L240-V277 HydrophobicContact CD2-CG2 4.37Å; V257-V277 HydrophobicContact CG1-CG2 3.66Å; S274-V277 WeakPolarHBondContact O-CG1 3.26Å; L275-V277 PolarHBondContact O-N 3.1Å; V277-Y279 VanDerWaalsContact C-N 3.32Å; V277-Y279 PolarHBondContact O-N 3.39Å; V277-M281 HydrophobicContact CG2-CG 4.29Å; V277-M281 HydrophobicContact CG2-SD 3.7Å; V277-M281 VanDerWaalsContact O-CB 3.32Å; V277-M281 WeakPolarHBondContact O-CB 3.15Å; V277-M281 VanDerWaalsContact O-CG 3.28Å; V277-M281 WeakPolarHBondContact O-CG 3.45Å; V277-M281 PolarHBondContact O-N 3.33Å; V277-V291 HydrophobicContact CB-CG2 3.93Å; V277-V291 HydrophobicContact CG2-CG2 3.58Å
278	Q	98.8	Very high	96.8	Very high	1 Å²	1	19.4 Å²	19.4	1%	0.005	10%	0.095	C	C	.	.	H	α-helix	trans	-65.1	-38.2	-176.4	-75.1	169.4	11.7	0	0	111.6	L240 F243 S274 L275 S282 V462	L240-Q278 HydrophobicContact CD1-CG 4.08Å; F243-Q278 HydrophobicContact CB-CG 3.97Å; F243-Q278 HydrophobicContact CD1-CB 3.81Å; F243-Q278 HydrophobicContact CD1-CG 3.93Å; F243-Q278 HydrophobicContact CD2-CB 3.97Å; F243-Q278 HydrophobicContact CD2-CG 3.98Å; F243-Q278 HydrophobicContact CE1-CB 3.79Å; F243-Q278 HydrophobicContact CE1-CG 4.42Å; F243-Q278 WeakPolarHBondContact CE1-O 3.42Å; F243-Q278 HydrophobicContact CE2-CB 3.95Å; F243-Q278 HydrophobicContact CE2-CG 4.46Å; F243-Q278 HydrophobicContact CG-CB 3.9Å; F243-Q278 HydrophobicContact CG-CG 3.68Å; F243-Q278 HydrophobicContact CZ-CB 3.85Å; S274-Q278 WeakPolarHBondContact O-CB 3.48Å; S274-Q278 VanDerWaalsContact O-CD 3.25Å; S274-Q278 WeakPolarHBondContact O-CG 3.27Å; S274-Q278 PolarHBondContact O-N 3.32Å; S274-Q278 VanDerWaalsContact O-N 3.09Å; L275-Q278 PolarHBondContact O-N 2.9Å; Q278-S282 WeakPolarHBondContact O-CB 3.42Å; Q278-S282 PolarHBondContact O-N 3.01Å; Q278-S282 PolarHBondContact O-OG 3.28Å; Q278-V462 PolarHBondContact NE2-O 3.37Å
279	Y	98.9	Very high	97.1	Very high	1 Å²	1	10.1 Å²	10.1	0%	0.004	6%	0.06	C	C	.	.	H	α-helix	trans	-88.3	-31.9	179.3	-79.6	-91.2	0	0	0	113.7	V200 P202 I205 F243 L275 V277 M281 S282 A283 Y459 W460 V461 V480	V200-Y279 PolarHBondContact O-OH 2.98Å; P202-Y279 HydrophobicContact CG-CE1 4.44Å; I205-Y279 HydrophobicContact CG1-CD1 4.24Å; I205-Y279 HydrophobicContact CG1-CE1 4.14Å; F243-Y279 AromaticContact CE2-CE2 3.9Å; F243-Y279 HydrophobicContact CE2-CE2 3.9Å; F243-Y279 HydrophobicContact CZ-CD2 4.26Å; F243-Y279 AromaticContact CZ-CE2 3.85Å; F243-Y279 HydrophobicContact CZ-CE2 3.85Å; L275-Y279 HydrophobicContact CD1-CD2 3.9Å; L275-Y279 HydrophobicContact CD1-CE2 4.22Å; L275-Y279 PolarHBondContact O-N 2.89Å; L275-Y279 VanDerWaalsContact O-N 3.1Å; V277-Y279 VanDerWaalsContact C-N 3.32Å; V277-Y279 PolarHBondContact O-N 3.39Å; Y279-M281 VanDerWaalsContact C-N 3.3Å; Y279-M281 PolarHBondContact O-N 3.4Å; Y279-S282 PolarHBondContact O-N 3.36Å; Y279-S282 VanDerWaalsContact O-N 3.1Å; Y279-A283 WeakPolarHBondContact O-CB 3.24Å; Y279-A283 PolarHBondContact O-N 3.06Å; Y279-Y459 AromaticContact CD1-CD1 3.62Å; Y279-Y459 HydrophobicContact CD1-CD1 3.62Å; Y279-Y459 AromaticContact CD1-CE1 3.46Å; Y279-Y459 HydrophobicContact CD1-CE1 3.46Å; Y279-Y459 VanDerWaalsContact CD1-CE1 3.46Å; Y279-Y459 AromaticContact CD2-CD1 3.87Å; Y279-Y459 HydrophobicContact CD2-CD1 3.87Å; Y279-Y459 HydrophobicContact CD2-CE1 4.39Å; Y279-Y459 AromaticContact CE1-CD1 3.28Å; Y279-Y459 HydrophobicContact CE1-CD1 3.28Å; Y279-Y459 AromaticContact CE1-CE1 3.45Å; Y279-Y459 HydrophobicContact CE1-CE1 3.45Å; Y279-Y459 VanDerWaalsContact CE1-CE1 3.45Å; Y279-Y459 HydrophobicContact CE1-CG 4.44Å; Y279-Y459 AromaticContact CE2-CD1 3.58Å; Y279-Y459 HydrophobicContact CE2-CD1 3.58Å; Y279-Y459 HydrophobicContact CE2-CE1 4.41Å; Y279-Y459 HydrophobicContact CE2-CG 4.45Å; Y279-Y459 AromaticContact CG-CD1 3.87Å; Y279-Y459 HydrophobicContact CG-CD1 3.87Å; Y279-Y459 AromaticContact CG-CE1 3.93Å; Y279-Y459 HydrophobicContact CG-CE1 3.93Å; Y279-Y459 AromaticContact CZ-CD1 3.25Å; Y279-Y459 AromaticContact CZ-CE1 3.95Å; Y279-W460 WeakPolarHBondContact CE2-O 3.2Å; Y279-W460 PolarHBondContact OH-N 3.22Å; Y279-W460 PolarHBondContact OH-O 2.67Å; Y279-V461 HydrophobicContact CE2-CG1 4.39Å; Y279-V480 HydrophobicContact CD1-CG2 4.13Å; Y279-V480 HydrophobicContact CG-CG2 4.47Å
280	L	98.9	Very high	97.4	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-57.8	-46.1	169.7	177.3	59.5	0	0	0	110.6	Q225 A226 C227 D276 S282 G284 T289 T322 P479	Q225-L280 HydrophobicContact CB-CD1 4.35Å; Q225-L280 HydrophobicContact CB-CD2 4.35Å; Q225-L280 HydrophobicContact CG-CD1 4.17Å; Q225-L280 HydrophobicContact CG-CD2 3.99Å; Q225-L280 HydrophobicContact CG-CG 4.03Å; Q225-L280 PolarHBondContact NE2-O 3.13Å; A226-L280 VanDerWaalsContact C-CD2 3.46Å; C227-L280 HydrophobicContact CB-CD2 3.8Å; D276-L280 WeakPolarHBondContact O-CB 3.47Å; D276-L280 PolarHBondContact O-N 2.71Å; L280-S282 PolarHBondContact O-N 3.22Å; L280-G284 WeakPolarHBondContact O-CA 3.48Å; L280-G284 PolarHBondContact O-N 2.78Å; L280-T289 HydrophobicContact CD2-CG2 3.94Å; L280-T289 HydrophobicContact CG-CG2 4.48Å; L280-T322 HydrophobicContact CD1-CG2 4.26Å; L280-P479 HydrophobicContact CB-CB 3.92Å
281	M	98.9	Very high	97.7	Very high	3 Å²	3	11.6 Å²	11.6	2%	0.015	6%	0.062	C	C	.	.	H	α-helix	trans	-75.6	-5.9	178.6	-65.4	-176.9	69.7	0	0	114.3	L240 M244 Q254 V257 V277 Y279 A285 T289	L240-M281 HydrophobicContact CD1-SD 3.96Å; L240-M281 HydrophobicContact CD2-CE 3.97Å; L240-M281 HydrophobicContact CD2-SD 3.49Å; L240-M281 WeakPolarHBondContact CD2-SD 3.2Å; L240-M281 HydrophobicContact CG-SD 4.35Å; M244-M281 HydrophobicContact CE-CB 3.52Å; Q254-M281 HydrophobicContact CB-CE 3.73Å; Q254-M281 WeakPolarHBondContact O-CE 3.39Å; V257-M281 HydrophobicContact CG1-SD 3.96Å; V277-M281 HydrophobicContact CG2-CG 4.29Å; V277-M281 HydrophobicContact CG2-SD 3.7Å; V277-M281 VanDerWaalsContact O-CB 3.32Å; V277-M281 WeakPolarHBondContact O-CB 3.15Å; V277-M281 VanDerWaalsContact O-CG 3.28Å; V277-M281 WeakPolarHBondContact O-CG 3.45Å; V277-M281 PolarHBondContact O-N 3.33Å; Y279-M281 VanDerWaalsContact C-N 3.3Å; Y279-M281 PolarHBondContact O-N 3.4Å; M281-A285 VanDerWaalsContact O-CA 3.3Å; M281-A285 WeakPolarHBondContact O-CA 3.42Å; M281-T289 HydrophobicContact CG-CG2 3.75Å; M281-T289 WeakPolarHBondContact CG-OG1 3.41Å; M281-T289 HydrophobicContact SD-CG2 4.07Å
282	S	98.8	Very high	97.8	Very high	1 Å²	1	11.1 Å²	11.1	1%	0.007	6%	0.059	C	C	.	.	H	α-helix	trans	-97.1	-39.4	174.4	-65.8	0	0	0	0	112.3	P202 R206 F243 Q278 Y279 L280	P202-S282 WeakPolarHBondContact CG-OG 3.39Å; R206-S282 PolarHBondContact NH1-O 3.01Å; F243-S282 WeakPolarHBondContact CE1-OG 3.46Å; Q278-S282 WeakPolarHBondContact O-CB 3.42Å; Q278-S282 PolarHBondContact O-N 3.01Å; Q278-S282 PolarHBondContact O-OG 3.28Å; Y279-S282 PolarHBondContact O-N 3.36Å; Y279-S282 VanDerWaalsContact O-N 3.1Å; L280-S282 PolarHBondContact O-N 3.22Å
283	A	98.8	Very high	97.7	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-72.6	-58.3	173.5	0	0	0	0	0	110.9	Y279 A285 V480 L484	Y279-A283 WeakPolarHBondContact O-CB 3.24Å; Y279-A283 PolarHBondContact O-N 3.06Å; A283-A285 PolarHBondContact O-N 2.82Å; A283-V480 HydrophobicContact CB-CG1 4.45Å; A283-V480 VanDerWaalsContact CB-O 3.29Å; A283-V480 WeakPolarHBondContact CB-O 3.47Å; A283-L484 HydrophobicContact CB-CD1 3.89Å
284	G	98.7	Very high	97.5	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	5%	0.054	C	C	.	.	S	Bend	trans	-88.9	59.3	171.8	0	0	0	0	0	110.5	Q225 L280 G483	Q225-G284 PolarHBondContact NE2-O 3.3Å; L280-G284 WeakPolarHBondContact O-CA 3.48Å; L280-G284 PolarHBondContact O-N 2.78Å; G284-G483 WeakPolarHBondContact CA-O 3.42Å; G284-G483 VanDerWaalsContact N-CA 3.33Å
285	A	98.8	Very high	96.7	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	5%	0.053	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	143.4	-173.5	0	0	0	0	0	112.5	V216 G217 F251 M281 A283 I287	V216-A285 HydrophobicContact CB-CB 4.47Å; V216-A285 HydrophobicContact CG1-CB 3.96Å; G217-A285 PolarHBondContact N-O 3.05Å; F251-A285 HydrophobicContact CD2-CB 3.67Å; F251-A285 HydrophobicContact CE2-CB 3.89Å; M281-A285 VanDerWaalsContact O-CA 3.3Å; M281-A285 WeakPolarHBondContact O-CA 3.42Å; A283-A285 PolarHBondContact O-N 2.82Å; A285-I287 VanDerWaalsContact C-N 3.26Å; A285-I287 PolarHBondContact O-N 2.92Å
286	N	98.6	Very high	95.4	Very high	44 Å²	44	10.4 Å²	10.4	24%	0.235	6%	0.063	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.8	27.8	-179.8	-157.7	39.2	0	0	0	115.6	V216 G217	V216-N286 HydrophobicContact CB-CB 4.17Å; G217-N286 PolarHBondContact O-ND2 2.91Å
287	I	98.8	Very high	94.3	Very high	7 Å²	7	18 Å²	18	4%	0.036	9%	0.091	C	C	.	.	S	Bend	trans	-107.8	138.2	173.1	-61.5	173	0	0	0	109.3	Q225 A285 T289 S486 L487	Q225-I287 HydrophobicContact CG-CG2 4.08Å; A285-I287 VanDerWaalsContact C-N 3.26Å; A285-I287 PolarHBondContact O-N 2.92Å; I287-T289 PolarHBondContact O-N 3.5Å; I287-T289 PolarHBondContact O-OG1 2.87Å; I287-S486 VanDerWaalsContact CD1-OG 3.32Å; I287-S486 WeakPolarHBondContact CD1-OG 3.5Å; I287-L487 HydrophobicContact CD1-CB 4.43Å; I287-L487 HydrophobicContact CD1-CD1 4.49Å
288	S	98.6	Very high	93.3	Very high	46 Å²	46	21.1 Å²	21.1	32%	0.322	11%	0.105	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-53	122	176	-64.1	0	0	0	0	110.5	S224 Q225 T258	S224-S288 CarbonylContact C-O 3.49Å; S224-S288 VanDerWaalsContact CA-O 3.23Å; S224-S288 WeakPolarHBondContact CA-O 3.33Å; S224-S288 WeakPolarHBondContact CB-O 3.25Å; Q225-S288 PolarHBondContact N-O 3.08Å; T258-S288 WeakPolarHBondContact OG1-CA 3.49Å; T258-S288 WeakPolarHBondContact OG1-CB 3.48Å
289	T	98.9	Very high	92.4	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	132.2	-169.7	-59.8	0	0	0	0	111.5	Q225 T258 L280 M281 I287	Q225-T289 HydrophobicContact CG-CG2 4.16Å; Q225-T289 WeakPolarHBondContact CG-OG1 3.24Å; Q225-T289 PolarHBondContact NE2-OG1 3.44Å; Q225-T289 CarbonylContact O-C 3.44Å; Q225-T289 VanDerWaalsContact O-CA 3.3Å; Q225-T289 WeakPolarHBondContact O-CA 3.49Å; T258-T289 PolarHBondContact N-O 3.33Å; T258-T289 PolarHBondContact OG1-N 3.25Å; T258-T289 VanDerWaalsContact OG1-N 3.16Å; L280-T289 HydrophobicContact CD2-CG2 3.94Å; L280-T289 HydrophobicContact CG-CG2 4.48Å; M281-T289 HydrophobicContact CG-CG2 3.75Å; M281-T289 WeakPolarHBondContact CG-OG1 3.41Å; M281-T289 HydrophobicContact SD-CG2 4.07Å; I287-T289 PolarHBondContact O-N 3.5Å; I287-T289 PolarHBondContact O-OG1 2.87Å
290	W	98.5	Very high	91	Very high	40 Å²	40	23.3 Å²	23.3	15%	0.152	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	147.6	172.9	-67	21.4	0	0	0	110.5	Q225 A226 C227 R259 V261 E314 L317 P318	Q225-W290 PolarHBondContact O-N 3.01Å; A226-W290 VanDerWaalsContact CA-O 3.31Å; A226-W290 WeakPolarHBondContact CA-O 3.44Å; A226-W290 HydrophobicContact CB-CB 4.03Å; C227-W290 PolarHBondContact N-O 2.93Å; R259-W290 HydrophobicContact CB-CB 4.49Å; R259-W290 HydrophobicContact CB-CD2 3.87Å; R259-W290 HydrophobicContact CB-CG 3.78Å; R259-W290 HydrophobicContact CG-CD2 4.31Å; R259-W290 CarbonylContact O-C 3.57Å; R259-W290 VanDerWaalsContact O-CA 3.28Å; R259-W290 WeakPolarHBondContact O-CA 3.34Å; V261-W290 HydrophobicContact CG2-CE3 4.11Å; W290-E314 HydrophobicContact CH2-CG 4.46Å; W290-L317 HydrophobicContact CZ3-CD2 4.16Å; W290-P318 HydrophobicContact CB-CG 4.18Å; W290-P318 HydrophobicContact CD2-CG 3.57Å; W290-P318 HydrophobicContact CE3-CG 3.89Å; W290-P318 HydrophobicContact CG-CG 3.71Å; W290-P318 HydrophobicContact CZ2-CG 4.46Å; W290-P318 HydrophobicContact CZ3-CG 4.43Å
291	V	98.3	Very high	90.4	Very high	7 Å²	7	25.3 Å²	25.3	4%	0.042	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	122.4	170.6	175.7	0	0	0	0	108.5	F235 V257 R259 V260 V261 V277	F235-V291 HydrophobicContact CB-CG1 3.91Å; F235-V291 HydrophobicContact CD2-CG1 4.43Å; F235-V291 HydrophobicContact CD2-CG2 4.22Å; F235-V291 HydrophobicContact CE2-CG2 4.35Å; F235-V291 HydrophobicContact CG-CB 4.47Å; F235-V291 HydrophobicContact CG-CG1 4.06Å; F235-V291 HydrophobicContact CG-CG2 4.37Å; V257-V291 HydrophobicContact CB-CG2 4.37Å; V257-V291 HydrophobicContact CG1-CG2 3.68Å; R259-V291 PolarHBondContact O-N 2.95Å; V260-V291 CarbonylContact C-O 3.18Å; V260-V291 WeakPolarHBondContact CA-O 3.35Å; V261-V291 PolarHBondContact N-O 3.42Å; V277-V291 HydrophobicContact CB-CG2 3.93Å; V277-V291 HydrophobicContact CG2-CG2 3.58Å
292	Y	96.6	Very high	89.9	Confident	14 Å²	14	25.7 Å²	25.7	6%	0.055	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	118.3	163.1	-174.9	-91.1	0	0	0	109.3	C227 A228 F230 V261 W307 L310	C227-Y292 PolarHBondContact O-N 2.92Å; A228-Y292 HydrophobicContact CB-CD1 4.23Å; A228-Y292 HydrophobicContact CB-CG 4.39Å; F230-Y292 HydrophobicContact CD1-CE1 4.17Å; F230-Y292 AromaticContact CE1-CD1 3.98Å; F230-Y292 HydrophobicContact CE1-CD1 3.98Å; F230-Y292 AromaticContact CE1-CE1 3.71Å; F230-Y292 HydrophobicContact CE1-CE1 3.71Å; V261-Y292 HydrophobicContact CB-CD2 3.92Å; V261-Y292 HydrophobicContact CG1-CD2 3.75Å; V261-Y292 HydrophobicContact CG1-CE2 4.05Å; Y292-W307 HydrophobicContact CD1-CB 4.05Å; Y292-W307 AromaticContact CD1-CD1 3.81Å; Y292-W307 HydrophobicContact CD1-CG 4.21Å; Y292-W307 AromaticContact CD2-CD1 3.91Å; Y292-W307 HydrophobicContact CE1-CB 3.62Å; Y292-W307 HydrophobicContact CE1-CG 4.27Å; Y292-W307 HydrophobicContact CE2-CB 4.28Å; Y292-W307 AromaticContact CG-CD1 3.61Å; Y292-W307 HydrophobicContact CG-CG 4.4Å; Y292-W307 PolarHBondContact OH-N 3.47Å; Y292-L310 HydrophobicContact CD2-CD1 4.16Å; Y292-L310 HydrophobicContact CE2-CD1 3.31Å
293	S	90.4	Very high	89.5	Confident	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.138	C	C	.	.			trans	-148.9	117.4	177.7	173.4	0	0	0	0	106.3	Q233 V261 G262 Q263 P295	Q233-S293 PolarHBondContact O-OG 2.98Å; Q233-S293 VanDerWaalsContact O-OG 3.13Å; V261-S293 PolarHBondContact O-N 3.23Å; V261-S293 VanDerWaalsContact O-O 3.06Å; G262-S293 CarbonylContact C-O 3.51Å; G262-S293 WeakPolarHBondContact CA-O 3.4Å; Q263-S293 VanDerWaalsContact CA-O 3.24Å; Q263-S293 WeakPolarHBondContact CA-O 3.42Å; Q263-S293 WeakPolarHBondContact CB-O 3.4Å; Q263-S293 PolarHBondContact N-O 3.34Å; Q263-S293 PolarHBondContact OE1-OG 3.29Å; S293-P295 WeakPolarHBondContact O-CD 3.24Å; S293-P295 VanDerWaalsContact OG-CD 3.27Å; S293-P295 WeakPolarHBondContact OG-CD 3.49Å
294	S	88.6	Confident	89.3	Confident	25 Å²	25	27.2 Å²	27.2	18%	0.175	14%	0.138	C	C	.	.			trans	-122	52.2	-177	-169.3	0	0	0	0	112.5
295	P	79.8	Confident	89	Confident	3 Å²	3	27.4 Å²	27.4	2%	0.019	14%	0.139	C	C	.	.			trans	-70.4	159.7	174.5	34.5	-37.9	0	0	0	110.5	E232 Y234 Q263 S293	E232-P295 WeakPolarHBondContact OE2-CA 3.24Å; Y234-P295 HydrophobicContact CD1-CG 3.66Å; Y234-P295 HydrophobicContact CD2-CB 3.85Å; Y234-P295 HydrophobicContact CD2-CG 3.69Å; Y234-P295 HydrophobicContact CE1-CB 4.36Å; Y234-P295 HydrophobicContact CE1-CG 3.61Å; Y234-P295 HydrophobicContact CE2-CB 3.53Å; Y234-P295 HydrophobicContact CE2-CG 3.62Å; Y234-P295 HydrophobicContact CG-CB 4.38Å; Y234-P295 HydrophobicContact CG-CG 3.69Å; Q263-P295 HydrophobicContact CG-CG 4.25Å; S293-P295 WeakPolarHBondContact O-CD 3.24Å; S293-P295 VanDerWaalsContact OG-CD 3.27Å; S293-P295 WeakPolarHBondContact OG-CD 3.49Å
296	G	71.2	Confident	88.7	Confident	21 Å²	21	29.3 Å²	29.3	22%	0.216	15%	0.148	C	C	.	.	S	Bend	trans	110.6	174.7	179.4	0	0	0	0	0	113.5	E232 H298	E232-G296 WeakPolarHBondContact OE1-CA 3.25Å; E232-G296 PolarHBondContact OE1-N 2.81Å; E232-G296 PolarHBondContact OE2-N 2.86Å; G296-H298 PolarHBondContact O-N 2.74Å
297	R	72.6	Confident	88.6	Confident	163 Å²	163	27.5 Å²	27.5	62%	0.615	14%	0.138	S	C	*	.			trans	-75.7	98.4	-170.6	-69.8	-173.9	180	-92.2	-7.2	112.3	H149 E299	H149-R297 PolarHBondContact CD2-NH2 3.09Å; H149-R297 PolarHBondContact NE2-NH2 3.3Å; H149-R297 VanDerWaalsContact NE2-NH2 3.19Å; R297-E299 IonicContact NH1-OE1 2.73Å; R297-E299 PolarHBondContact NH1-OE1 3.42Å
298	H	77.7	Confident	88.5	Confident	67 Å²	67	27.3 Å²	27.3	31%	0.31	14%	0.137	S	C	.	.			trans	-134	60.7	169.2	-55.1	-54.1	0	0	0	109.7	G296 G300 Q301	G296-H298 PolarHBondContact O-N 2.74Å; H298-G300 PolarHBondContact O-N 2.83Å; H298-Q301 HydrophobicContact CB-CB 4.17Å; H298-Q301 HydrophobicContact CB-CG 4.05Å; H298-Q301 WeakPolarHBondContact O-CB 3.4Å; H298-Q301 PolarHBondContact O-N 2.56Å
299	E	80.5	Confident	88.2	Confident	42 Å²	42	25.5 Å²	25.5	20%	0.196	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-25.9	-158.6	-66.4	179.4	179.5	0	0	115	H140 H149 V150 V151 R152 R297	H140-E299 IonicContact CE1-OE2 2.7Å; H140-E299 PolarHBondContact CE1-OE2 2.76Å; H140-E299 IonicContact ND1-OE2 3.1Å; H140-E299 PolarHBondContact ND1-OE2 2.99Å; H149-E299 HydrophobicContact CB-CG 4.15Å; V150-E299 WeakPolarHBondContact CA-O 3.23Å; V151-E299 HydrophobicContact CB-CB 4.31Å; V151-E299 HydrophobicContact CG1-CB 4.07Å; V151-E299 PolarHBondContact N-O 2.77Å; R152-E299 PolarHBondContact NH1-O 3Å; R297-E299 IonicContact NH1-OE1 2.73Å; R297-E299 PolarHBondContact NH1-OE1 3.42Å
300	G	70.1	Confident	87.6	Confident	7 Å²	7	28 Å²	28	7%	0.072	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-8.7	175.3	0	0	0	0	0	115.1	S48 G172 H298	S48-G300 CarbonylContact O-C 3.51Å; G172-G300 WeakPolarHBondContact CA-O 3.47Å; H298-G300 PolarHBondContact O-N 2.83Å
301	Q	84.3	Confident	87.4	Confident	41 Å²	41	26.5 Å²	26.5	19%	0.192	13%	0.131	C	C	.	.			trans	-86.1	146.5	-178.3	-64.1	-179.7	0.1	0	0	111.5	R152 H298	R152-Q301 PolarHBondContact NH2-O 3Å; H298-Q301 HydrophobicContact CB-CB 4.17Å; H298-Q301 HydrophobicContact CB-CG 4.05Å; H298-Q301 WeakPolarHBondContact O-CB 3.4Å; H298-Q301 PolarHBondContact O-N 2.56Å
302	E	89.4	Confident	87.2	Confident	12 Å²	12	26.4 Å²	26.4	6%	0.056	13%	0.131	C	C	.	.			trans	-98.6	111.6	164.5	-68.4	173.6	-150.9	0	0	106.9	G171 G172 R175 F304 L305 Q306	G171-E302 WeakPolarHBondContact CA-OE1 3.37Å; G172-E302 PolarHBondContact N-OE1 2.6Å; R175-E302 IonicContact CZ-OE1 2.68Å; R175-E302 IonicContact CZ-OE2 2.7Å; R175-E302 IonicContact NE-OE1 3.7Å; R175-E302 PolarHBondContact NE-OE1 3.1Å; R175-E302 IonicContact NE-OE2 3.03Å; R175-E302 PolarHBondContact NE-OE2 2.96Å; R175-E302 IonicContact NH2-OE1 3.34Å; R175-E302 PolarHBondContact NH2-OE1 3.17Å; R175-E302 IonicContact NH2-OE2 2.79Å; R175-E302 PolarHBondContact NH2-OE2 3.13Å; E302-F304 VanDerWaalsContact C-N 3.27Å; E302-F304 PolarHBondContact O-N 2.87Å; E302-L305 HydrophobicContact CB-CB 3.92Å; E302-L305 PolarHBondContact O-N 3.24Å; E302-L305 VanDerWaalsContact O-N 3.1Å; E302-Q306 PolarHBondContact O-N 2.95Å
303	P	90.3	Very high	87.1	Confident	30 Å²	30	29 Å²	29	20%	0.195	15%	0.146	C	C	.	.	H	α-helix	trans	-56.1	-38.4	-168.8	-30.2	36.5	0	0	0	114.5	P177 F230 W307	P177-P303 HydrophobicContact CB-CG 3.92Å; F230-P303 HydrophobicContact CB-CB 4.01Å; F230-P303 VanDerWaalsContact CD1-C 3.48Å; F230-P303 HydrophobicContact CD1-CB 3.7Å; F230-P303 WeakPolarHBondContact CE1-O 3.38Å; F230-P303 HydrophobicContact CG-CB 4.28Å; P303-W307 PolarHBondContact O-N 3.46Å; P303-W307 VanDerWaalsContact O-N 3.13Å
304	F	93.8	Very high	87.3	Confident	2 Å²	2	32 Å²	32	1%	0.009	16%	0.16	C	C	.	.	H	α-helix	trans	-68.3	-45.4	177.4	175.5	-99.4	0	0	0	112.6	F230 E302 Q306 W307 L308 Y325 Y336 V340 F356 P379	F230-F304 HydrophobicContact CD1-CB 4.4Å; F230-F304 HydrophobicContact CE1-CB 4.31Å; F230-F304 HydrophobicContact CE1-CD2 4.47Å; F230-F304 AromaticContact CE2-CD2 3.83Å; F230-F304 HydrophobicContact CE2-CD2 3.83Å; F230-F304 HydrophobicContact CZ-CB 4.38Å; F230-F304 AromaticContact CZ-CD2 3.77Å; F230-F304 HydrophobicContact CZ-CD2 3.77Å; E302-F304 VanDerWaalsContact C-N 3.27Å; E302-F304 PolarHBondContact O-N 2.87Å; F304-Q306 VanDerWaalsContact C-N 3.28Å; F304-Q306 PolarHBondContact O-N 3.21Å; F304-W307 AromaticContact CD2-CE3 3.93Å; F304-W307 HydrophobicContact CD2-CE3 3.93Å; F304-W307 HydrophobicContact CD2-CZ3 4.19Å; F304-W307 AromaticContact CE2-CE3 3.66Å; F304-W307 HydrophobicContact CE2-CE3 3.66Å; F304-W307 AromaticContact CE2-CZ3 3.46Å; F304-W307 HydrophobicContact CE2-CZ3 3.46Å; F304-W307 VanDerWaalsContact CE2-CZ3 3.46Å; F304-W307 HydrophobicContact CZ-CE3 4.36Å; F304-W307 HydrophobicContact CZ-CZ3 4.01Å; F304-W307 PolarHBondContact O-N 3.1Å; F304-L308 HydrophobicContact CE1-CD2 4.21Å; F304-L308 WeakPolarHBondContact O-CB 3.34Å; F304-L308 PolarHBondContact O-N 3.49Å; F304-Y325 HydrophobicContact CB-CD1 4.23Å; F304-Y325 HydrophobicContact CB-CD2 3.77Å; F304-Y325 HydrophobicContact CB-CE1 3.98Å; F304-Y325 HydrophobicContact CB-CE2 3.43Å; F304-Y325 VanDerWaalsContact CB-CE2 3.43Å; F304-Y325 HydrophobicContact CB-CG 4.14Å; F304-Y325 HydrophobicContact CD1-CD1 4.29Å; F304-Y325 AromaticContact CD1-CE1 3.96Å; F304-Y325 HydrophobicContact CD1-CE1 3.96Å; F304-Y325 AromaticContact CD2-CD1 3.65Å; F304-Y325 HydrophobicContact CD2-CD1 3.65Å; F304-Y325 HydrophobicContact CD2-CD2 4.14Å; F304-Y325 HydrophobicContact CD2-CE1 4.1Å; F304-Y325 HydrophobicContact CD2-CE2 4.5Å; F304-Y325 AromaticContact CD2-CG 3.67Å; F304-Y325 HydrophobicContact CD2-CG 3.67Å; F304-Y325 HydrophobicContact CE2-CD1 4.09Å; F304-Y325 HydrophobicContact CE2-CG 4.37Å; F304-Y325 AromaticContact CG-CD1 3.77Å; F304-Y325 HydrophobicContact CG-CD1 3.77Å; F304-Y325 HydrophobicContact CG-CD2 4.15Å; F304-Y325 AromaticContact CG-CE1 3.71Å; F304-Y325 HydrophobicContact CG-CE1 3.71Å; F304-Y325 HydrophobicContact CG-CE2 4.05Å; F304-Y325 AromaticContact CG-CG 3.99Å; F304-Y325 HydrophobicContact CG-CG 3.99Å; F304-Y325 AromaticContact CG-CZ 3.84Å; F304-Y336 WeakPolarHBondContact CD1-OH 3.29Å; F304-V340 HydrophobicContact CE1-CG1 3.66Å; F304-V340 HydrophobicContact CE1-CG2 4.21Å; F304-V340 HydrophobicContact CZ-CG1 3.99Å; F304-F356 AromaticContact CE2-CE1 3.71Å; F304-F356 HydrophobicContact CE2-CE1 3.71Å; F304-F356 AromaticContact CE2-CZ 3.86Å; F304-F356 HydrophobicContact CE2-CZ 3.86Å; F304-F356 HydrophobicContact CZ-CE1 4.29Å; F304-F356 HydrophobicContact CZ-CZ 4.23Å; F304-P379 HydrophobicContact CE1-CG 4.14Å; F304-P379 HydrophobicContact CE2-CG 3.97Å; F304-P379 HydrophobicContact CZ-CG 3.49Å; F304-P379 VanDerWaalsContact CZ-CG 3.49Å
305	L	93	Very high	87.6	Confident	4 Å²	4	34 Å²	34	2%	0.021	17%	0.174	C	C	.	.	H	α-helix	trans	-61.4	-40	176.1	-176.8	60.2	0	0	0	111.1	T50 F119 F169 E302 W307 L308 M309	T50-L305 HydrophobicContact CG2-CD2 4.02Å; F119-L305 HydrophobicContact CE1-CD1 3.95Å; F119-L305 HydrophobicContact CZ-CD1 4.05Å; F169-L305 HydrophobicContact CE2-CD2 3.9Å; F169-L305 HydrophobicContact CZ-CD1 4.29Å; F169-L305 HydrophobicContact CZ-CD2 4.18Å; E302-L305 HydrophobicContact CB-CB 3.92Å; E302-L305 PolarHBondContact O-N 3.24Å; E302-L305 VanDerWaalsContact O-N 3.1Å; L305-W307 PolarHBondContact O-N 3.5Å; L305-L308 PolarHBondContact O-N 3.39Å; L305-M309 HydrophobicContact CD1-CG 4.49Å; L305-M309 HydrophobicContact CG-SD 4.19Å; L305-M309 WeakPolarHBondContact O-CB 3.36Å; L305-M309 VanDerWaalsContact O-CG 3.23Å; L305-M309 WeakPolarHBondContact O-CG 3.49Å; L305-M309 PolarHBondContact O-N 2.89Å
306	Q	93.7	Very high	88.2	Confident	41 Å²	41	37.4 Å²	37.4	19%	0.192	20%	0.202	C	C	.	.	H	α-helix	trans	-60.8	-44.3	176.8	-175.9	60.1	31.5	0	0	111.8	E302 F304 M309 L310	E302-Q306 PolarHBondContact O-N 2.95Å; F304-Q306 VanDerWaalsContact C-N 3.28Å; F304-Q306 PolarHBondContact O-N 3.21Å; Q306-M309 PolarHBondContact O-N 3.17Å; Q306-L310 WeakPolarHBondContact O-CG 3.44Å; Q306-L310 PolarHBondContact O-N 2.71Å; Q306-L310 VanDerWaalsContact O-N 3.13Å
307	W	96.6	Very high	89.5	Confident	6 Å²	6	37.4 Å²	37.4	2%	0.023	20%	0.197	C	C	.	.	H	α-helix	trans	-61.9	-45.3	174.1	166.2	80.5	0	0	0	112.5	F230 Y292 P303 F304 L305 M309 L310 L311 V323 L354 F356	F230-W307 HydrophobicContact CE1-CB 3.55Å; F230-W307 HydrophobicContact CE1-CG 4.02Å; F230-W307 HydrophobicContact CZ-CB 3.89Å; F230-W307 AromaticContact CZ-CD2 3.98Å; F230-W307 HydrophobicContact CZ-CD2 3.98Å; F230-W307 HydrophobicContact CZ-CE3 4.11Å; F230-W307 AromaticContact CZ-CG 3.89Å; F230-W307 HydrophobicContact CZ-CG 3.89Å; Y292-W307 HydrophobicContact CD1-CB 4.05Å; Y292-W307 AromaticContact CD1-CD1 3.81Å; Y292-W307 HydrophobicContact CD1-CG 4.21Å; Y292-W307 AromaticContact CD2-CD1 3.91Å; Y292-W307 HydrophobicContact CE1-CB 3.62Å; Y292-W307 HydrophobicContact CE1-CG 4.27Å; Y292-W307 HydrophobicContact CE2-CB 4.28Å; Y292-W307 AromaticContact CG-CD1 3.61Å; Y292-W307 HydrophobicContact CG-CG 4.4Å; Y292-W307 PolarHBondContact OH-N 3.47Å; P303-W307 PolarHBondContact O-N 3.46Å; P303-W307 VanDerWaalsContact O-N 3.13Å; F304-W307 AromaticContact CD2-CE3 3.93Å; F304-W307 HydrophobicContact CD2-CE3 3.93Å; F304-W307 HydrophobicContact CD2-CZ3 4.19Å; F304-W307 AromaticContact CE2-CE3 3.66Å; F304-W307 HydrophobicContact CE2-CE3 3.66Å; F304-W307 AromaticContact CE2-CZ3 3.46Å; F304-W307 HydrophobicContact CE2-CZ3 3.46Å; F304-W307 VanDerWaalsContact CE2-CZ3 3.46Å; F304-W307 HydrophobicContact CZ-CE3 4.36Å; F304-W307 HydrophobicContact CZ-CZ3 4.01Å; F304-W307 PolarHBondContact O-N 3.1Å; L305-W307 PolarHBondContact O-N 3.5Å; W307-M309 VanDerWaalsContact C-N 3.3Å; W307-M309 PolarHBondContact O-N 2.77Å; W307-L310 WeakPolarHBondContact O-CB 3.49Å; W307-L310 PolarHBondContact O-N 2.95Å; W307-L310 VanDerWaalsContact O-N 3.08Å; W307-L311 HydrophobicContact CH2-CD1 3.86Å; W307-L311 HydrophobicContact CZ2-CD1 3.81Å; W307-L311 HydrophobicContact CZ2-CD2 4.29Å; W307-L311 HydrophobicContact CZ2-CG 4.38Å; W307-L311 HydrophobicContact CZ3-CD1 4.32Å; W307-L311 PolarHBondContact O-N 3.05Å; W307-V323 HydrophobicContact CH2-CG1 4.42Å; W307-V323 HydrophobicContact CH2-CG2 3.69Å; W307-V323 HydrophobicContact CZ2-CG2 3.6Å; W307-L354 HydrophobicContact CH2-CD1 4.47Å; W307-L354 HydrophobicContact CH2-CD2 4.32Å; W307-L354 HydrophobicContact CZ2-CD2 4.36Å; W307-F356 HydrophobicContact CH2-CE2 4.46Å; W307-F356 AromaticContact CH2-CZ 3.91Å; W307-F356 HydrophobicContact CH2-CZ 3.91Å; W307-F356 AromaticContact CZ3-CZ 3.98Å; W307-F356 HydrophobicContact CZ3-CZ 3.98Å
308	L	95.1	Very high	90.7	Very high	2 Å²	2	29.6 Å²	29.6	1%	0.01	17%	0.168	C	C	.	.	H	α-helix	trans	-61.6	-40.2	-179.3	-169.8	64.5	0	0	0	111.7	F304 L305 L310 L311 V340 E343 L344	F304-L308 HydrophobicContact CE1-CD2 4.21Å; F304-L308 WeakPolarHBondContact O-CB 3.34Å; F304-L308 PolarHBondContact O-N 3.49Å; L305-L308 PolarHBondContact O-N 3.39Å; L308-L310 VanDerWaalsContact C-N 3.35Å; L308-L311 HydrophobicContact CD1-CD1 4.3Å; L308-L311 WeakPolarHBondContact O-CB 3.45Å; L308-L311 PolarHBondContact O-N 3.41Å; L308-V340 HydrophobicContact CD2-CB 4.18Å; L308-V340 HydrophobicContact CD2-CG1 3.82Å; L308-V340 HydrophobicContact CD2-CG2 3.96Å; L308-E343 HydrophobicContact CD1-CB 3.61Å; L308-E343 HydrophobicContact CD2-CB 3.57Å; L308-E343 HydrophobicContact CD2-CG 3.72Å; L308-E343 HydrophobicContact CG-CB 3.53Å; L308-E343 HydrophobicContact CG-CG 3.93Å; L308-L344 HydrophobicContact CD1-CD2 4.23Å
309	M	92.8	Very high	91.7	Very high	9 Å²	9	28.2 Å²	28.2	4%	0.044	16%	0.161	C	C	.	.	H	α-helix	trans	-63.9	-38.1	173.7	-71.4	173.3	59.7	0	0	112.6	T50 V114 F119 T121 L305 Q306 W307 L311 S312 N313	T50-M309 HydrophobicContact CG2-CE 3.89Å; T50-M309 HydrophobicContact CG2-SD 3.35Å; T50-M309 WeakPolarHBondContact CG2-SD 3.31Å; V114-M309 HydrophobicContact CG1-CB 4.34Å; V114-M309 HydrophobicContact CG1-CE 4.33Å; F119-M309 HydrophobicContact CB-CE 3.53Å; F119-M309 HydrophobicContact CB-CG 4.23Å; F119-M309 HydrophobicContact CB-SD 4.2Å; F119-M309 HydrophobicContact CD1-CE 4.46Å; F119-M309 HydrophobicContact CD1-CG 4.05Å; F119-M309 HydrophobicContact CD1-SD 4.04Å; F119-M309 HydrophobicContact CD2-CG 3.67Å; F119-M309 HydrophobicContact CE1-CG 4.25Å; F119-M309 HydrophobicContact CE2-CG 3.86Å; F119-M309 HydrophobicContact CG-CE 4.04Å; F119-M309 HydrophobicContact CG-CG 3.74Å; F119-M309 HydrophobicContact CG-SD 4.06Å; F119-M309 HydrophobicContact CZ-CG 4.14Å; T121-M309 WeakPolarHBondContact OG1-CE 3.16Å; L305-M309 HydrophobicContact CD1-CG 4.49Å; L305-M309 HydrophobicContact CG-SD 4.19Å; L305-M309 WeakPolarHBondContact O-CB 3.36Å; L305-M309 VanDerWaalsContact O-CG 3.23Å; L305-M309 WeakPolarHBondContact O-CG 3.49Å; L305-M309 PolarHBondContact O-N 2.89Å; Q306-M309 PolarHBondContact O-N 3.17Å; W307-M309 VanDerWaalsContact C-N 3.3Å; W307-M309 PolarHBondContact O-N 2.77Å; M309-L311 VanDerWaalsContact C-N 3.26Å; M309-L311 PolarHBondContact O-N 3.02Å; M309-S312 CarbonylContact O-C 3.47Å; M309-S312 WeakPolarHBondContact O-CA 3.28Å; M309-S312 PolarHBondContact O-N 3.17Å; M309-N313 PolarHBondContact O-N 2.81Å
310	L	86.6	Confident	92.6	Very high	52 Å²	52	26.2 Å²	26.2	27%	0.272	15%	0.152	S	C	.	.	H	α-helix	trans	-63	-33.5	176.7	-72.3	167.8	0	0	0	112.2	V261 Y292 Q306 W307 L308 S312 N313 E314	V261-L310 HydrophobicContact CG1-CD1 4.2Å; Y292-L310 HydrophobicContact CD2-CD1 4.16Å; Y292-L310 HydrophobicContact CE2-CD1 3.31Å; Q306-L310 WeakPolarHBondContact O-CG 3.44Å; Q306-L310 PolarHBondContact O-N 2.71Å; Q306-L310 VanDerWaalsContact O-N 3.13Å; W307-L310 WeakPolarHBondContact O-CB 3.49Å; W307-L310 PolarHBondContact O-N 2.95Å; W307-L310 VanDerWaalsContact O-N 3.08Å; L308-L310 VanDerWaalsContact C-N 3.35Å; L310-S312 PolarHBondContact O-N 3.29Å; L310-N313 PolarHBondContact O-N 2.94Å; L310-E314 PolarHBondContact O-N 2.93Å
311	L	93.5	Very high	94	Very high	8 Å²	8	26.3 Å²	26.3	4%	0.042	15%	0.15	C	C	.	.	H	α-helix	trans	-56.9	-38.1	173.1	-57.5	-174.7	0	0	0	110.6	W307 L308 M309 N313 L317 R350 L354	W307-L311 HydrophobicContact CH2-CD1 3.86Å; W307-L311 HydrophobicContact CZ2-CD1 3.81Å; W307-L311 HydrophobicContact CZ2-CD2 4.29Å; W307-L311 HydrophobicContact CZ2-CG 4.38Å; W307-L311 HydrophobicContact CZ3-CD1 4.32Å; W307-L311 PolarHBondContact O-N 3.05Å; L308-L311 HydrophobicContact CD1-CD1 4.3Å; L308-L311 WeakPolarHBondContact O-CB 3.45Å; L308-L311 PolarHBondContact O-N 3.41Å; M309-L311 VanDerWaalsContact C-N 3.26Å; M309-L311 PolarHBondContact O-N 3.02Å; L311-N313 VanDerWaalsContact C-N 3.26Å; L311-N313 PolarHBondContact O-N 2.83Å; L311-L317 HydrophobicContact CB-CD1 4.22Å; L311-L317 HydrophobicContact CD2-CD1 3.99Å; L311-L317 WeakPolarHBondContact O-CD1 3.42Å; L311-R350 PolarHBondContact O-NH1 3.03Å; L311-L354 HydrophobicContact CD1-CD1 4.46Å; L311-L354 HydrophobicContact CD1-CD2 4.42Å
312	S	93.8	Very high	94.7	Very high	5 Å²	5	24.4 Å²	24.4	4%	0.035	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84	9.2	178.2	-65.9	0	0	0	0	114.8	I115 T116 M309 L310 E343 K346	I115-S312 PolarHBondContact N-O 2.92Å; T116-S312 WeakPolarHBondContact OG1-CB 3.35Å; M309-S312 CarbonylContact O-C 3.47Å; M309-S312 WeakPolarHBondContact O-CA 3.28Å; M309-S312 PolarHBondContact O-N 3.17Å; L310-S312 PolarHBondContact O-N 3.29Å; S312-E343 PolarHBondContact OG-OE2 3.09Å; S312-K346 VanDerWaalsContact OG-CE 3.32Å; S312-K346 WeakPolarHBondContact OG-CE 3.45Å; S312-K346 PolarHBondContact OG-NZ 3.27Å
313	N	96.3	Very high	95.1	Very high	69 Å²	69	23.9 Å²	23.9	37%	0.369	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-125.8	0	-178.6	-155.1	37.4	0	0	0	114.3	V114 I115 M309 L310 L311	V114-N313 VanDerWaalsContact CA-OD1 3.3Å; V114-N313 WeakPolarHBondContact CA-OD1 3.31Å; V114-N313 HydrophobicContact CB-CB 3.99Å; V114-N313 HydrophobicContact CG1-CB 3.9Å; I115-N313 WeakPolarHBondContact CD1-O 3.46Å; I115-N313 PolarHBondContact N-OD1 3Å; M309-N313 PolarHBondContact O-N 2.81Å; L310-N313 PolarHBondContact O-N 2.94Å; L311-N313 VanDerWaalsContact C-N 3.26Å; L311-N313 PolarHBondContact O-N 2.83Å
314	E	94.6	Very high	95.3	Very high	63 Å²	63	23.7 Å²	23.7	29%	0.294	14%	0.139	S	C	.	.			trans	-128.5	121.1	178	-179.1	71.9	-96.2	0	0	108.9	R259 W290 L310 L317 R350	R259-E314 IonicContact CZ-OE2 3.66Å; R259-E314 IonicContact NH1-OE2 3.64Å; R259-E314 PolarHBondContact NH1-OE2 3.1Å; R259-E314 IonicContact NH2-OE2 2.71Å; R259-E314 PolarHBondContact NH2-OE2 3.39Å; W290-E314 HydrophobicContact CH2-CG 4.46Å; L310-E314 PolarHBondContact O-N 2.93Å; E314-L317 HydrophobicContact CB-CD2 3.86Å; E314-L317 HydrophobicContact CB-CG 4.25Å; E314-L317 HydrophobicContact CG-CD2 3.77Å; E314-L317 HydrophobicContact CG-CG 4.21Å; E314-R350 PolarHBondContact O-NH2 3.3Å
315	S	93	Very high	95.3	Very high	68 Å²	68	24.5 Å²	24.5	48%	0.476	14%	0.142	S	C	.	.	S	Bend	trans	-75.2	-41.9	-173.6	-69.3	0	0	0	0	112.1	R350	S315-R350 PolarHBondContact O-NH2 3.03Å; S315-R350 VanDerWaalsContact O-NH2 3.12Å
316	A	94.1	Very high	95.3	Very high	74 Å²	74	26.4 Å²	26.4	61%	0.612	16%	0.162	S	C	*	.	S	Bend	trans	-101.1	97.9	179.4	0	0	0	0	0	110
317	L	97.9	Very high	95.2	Very high	20 Å²	20	26 Å²	26	11%	0.105	16%	0.162	C	C	.	.			trans	-109.1	156.7	178.5	-72.9	169.6	0	0	0	111.1	W290 L311 E314 L352	W290-L317 HydrophobicContact CZ3-CD2 4.16Å; L311-L317 HydrophobicContact CB-CD1 4.22Å; L311-L317 HydrophobicContact CD2-CD1 3.99Å; L311-L317 WeakPolarHBondContact O-CD1 3.42Å; E314-L317 HydrophobicContact CB-CD2 3.86Å; E314-L317 HydrophobicContact CB-CG 4.25Å; E314-L317 HydrophobicContact CG-CD2 3.77Å; E314-L317 HydrophobicContact CG-CG 4.21Å; L317-L352 HydrophobicContact CB-CD2 4.19Å; L317-L352 HydrophobicContact CD1-CD1 3.86Å
318	P	98.6	Very high	95.2	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	17%	0.174	C	C	.	.			trans	-50.5	141.5	163	-30.5	41.1	0	0	0	112.5	S224 A226 W290 V320 H321 L352	S224-P318 WeakPolarHBondContact OG-CA 3.28Å; A226-P318 HydrophobicContact CB-CB 3.9Å; A226-P318 HydrophobicContact CB-CG 3.97Å; W290-P318 HydrophobicContact CB-CG 4.18Å; W290-P318 HydrophobicContact CD2-CG 3.57Å; W290-P318 HydrophobicContact CE3-CG 3.89Å; W290-P318 HydrophobicContact CG-CG 3.71Å; W290-P318 HydrophobicContact CZ2-CG 4.46Å; W290-P318 HydrophobicContact CZ3-CG 4.43Å; P318-V320 VanDerWaalsContact C-N 3.29Å; P318-V320 PolarHBondContact O-N 2.95Å; P318-H321 PolarHBondContact O-CD2 3.42Å; P318-H321 PolarHBondContact O-NE2 3.02Å; P318-L352 WeakPolarHBondContact O-CD2 3.48Å
319	H	98.8	Very high	95.4	Very high	37 Å²	37	28.6 Å²	28.6	17%	0.171	17%	0.174	C	C	.	.	S	Bend	trans	-73.1	-26	-176.4	-63	-50.5	0	0	0	112.6	S224 T353 P499	S224-H319 PolarHBondContact O-N 2.84Å; H319-T353 PolarHBondContact O-N 2.93Å; H319-P499 HydrophobicContact CB-CB 4.09Å
320	V	98.9	Very high	95.6	Very high	0 Å²	0	30 Å²	30	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	129.7	-178.6	-177.5	0	0	0	0	109.6	Q225 A226 P318 T322 T353 L355 N489	Q225-V320 CarbonylContact C-O 3.43Å; Q225-V320 WeakPolarHBondContact CA-O 3.32Å; Q225-V320 HydrophobicContact CB-CB 4.42Å; A226-V320 PolarHBondContact N-O 3.38Å; P318-V320 VanDerWaalsContact C-N 3.29Å; P318-V320 PolarHBondContact O-N 2.95Å; V320-T322 HydrophobicContact CG1-CG2 4.39Å; V320-T353 WeakPolarHBondContact CA-O 3.39Å; V320-L355 HydrophobicContact CG1-CD1 3.53Å; V320-N489 WeakPolarHBondContact CG2-ND2 3.16Å
321	H	98.9	Very high	96.1	Very high	9 Å²	9	28.1 Å²	28.1	4%	0.042	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	125.9	172.4	-61.2	-109.5	0	0	0	110.3	A226 P318 V323 T353 L354 L355	A226-H321 CarbonylContact O-C 3.44Å; A226-H321 VanDerWaalsContact O-CA 3.3Å; A226-H321 WeakPolarHBondContact O-CA 3.46Å; P318-H321 PolarHBondContact O-CD2 3.42Å; P318-H321 PolarHBondContact O-NE2 3.02Å; H321-V323 HydrophobicContact CB-CG2 4.42Å; H321-T353 PolarHBondContact N-O 3.2Å; H321-L354 HydrophobicContact CB-CD2 3.56Å; H321-L355 PolarHBondContact O-N 2.94Å
322	T	98.8	Very high	96.3	Very high	2 Å²	2	28.2 Å²	28.2	1%	0.012	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	121.5	177	59.4	0	0	0	0	109.3	A226 C227 A228 L280 V320 L355 T478	A226-T322 PolarHBondContact O-N 3.49Å; A226-T322 PolarHBondContact O-OG1 2.81Å; C227-T322 CarbonylContact C-O 3.53Å; C227-T322 VanDerWaalsContact CA-O 3.28Å; C227-T322 WeakPolarHBondContact CA-O 3.39Å; C227-T322 WeakPolarHBondContact CB-OG1 3.46Å; A228-T322 PolarHBondContact N-O 3.16Å; L280-T322 HydrophobicContact CD1-CG2 4.26Å; V320-T322 HydrophobicContact CG1-CG2 4.39Å; T322-L355 HydrophobicContact CG2-CB 4.43Å; T322-L355 HydrophobicContact CG2-CD1 4.16Å; T322-T478 WeakPolarHBondContact CG2-O 3.42Å
323	V	98.4	Very high	96.5	Very high	1 Å²	1	28 Å²	28	1%	0.006	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	121	-164.8	-169	0	0	0	0	110.5	A228 F230 W307 H321 L355 F356 A357	A228-V323 HydrophobicContact CB-CG1 4.42Å; A228-V323 WeakPolarHBondContact O-CA 3.3Å; F230-V323 HydrophobicContact CE2-CG1 3.64Å; F230-V323 HydrophobicContact CZ-CG1 4.17Å; W307-V323 HydrophobicContact CH2-CG1 4.42Å; W307-V323 HydrophobicContact CH2-CG2 3.69Å; W307-V323 HydrophobicContact CZ2-CG2 3.6Å; H321-V323 HydrophobicContact CB-CG2 4.42Å; V323-L355 PolarHBondContact N-O 3.35Å; V323-F356 HydrophobicContact CB-CD1 3.8Å; V323-F356 HydrophobicContact CB-CD2 4.44Å; V323-F356 HydrophobicContact CB-CE1 3.59Å; V323-F356 HydrophobicContact CB-CE2 4.27Å; V323-F356 HydrophobicContact CB-CG 4.24Å; V323-F356 HydrophobicContact CB-CZ 3.85Å; V323-F356 HydrophobicContact CG1-CD1 3.92Å; V323-F356 HydrophobicContact CG1-CE1 3.35Å; V323-F356 HydrophobicContact CG1-CZ 3.82Å; V323-F356 HydrophobicContact CG2-CE1 4.27Å; V323-F356 HydrophobicContact CG2-CE2 4.22Å; V323-F356 HydrophobicContact CG2-CZ 4Å; V323-F356 WeakPolarHBondContact O-CA 3.32Å; V323-A357 PolarHBondContact O-N 3.49Å
324	S	94.4	Very high	96.6	Very high	25 Å²	25	27.9 Å²	27.9	18%	0.175	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	96.3	170	-176.9	0	0	0	0	109.8	A228 S475	A228-S324 PolarHBondContact O-N 2.97Å; S324-S475 PolarHBondContact OG-OG 2.86Å
325	Y	93.6	Very high	96.8	Very high	20 Å²	20	26.1 Å²	26.1	8%	0.078	17%	0.172	C	C	.	.			trans	-158.9	141.5	176.4	-174.6	-92.1	0	0	0	110.1	P178 F230 F304 D327 P379	P178-Y325 HydrophobicContact CG-CD2 4.4Å; P178-Y325 HydrophobicContact CG-CE2 4.43Å; F230-Y325 HydrophobicContact CB-CD2 4.11Å; F230-Y325 AromaticContact CD2-CD2 3.46Å; F230-Y325 HydrophobicContact CD2-CD2 3.46Å; F230-Y325 VanDerWaalsContact CD2-CD2 3.46Å; F230-Y325 HydrophobicContact CD2-CE2 4.49Å; F230-Y325 AromaticContact CD2-CG 3.9Å; F230-Y325 HydrophobicContact CD2-CG 3.9Å; F230-Y325 HydrophobicContact CE2-CD2 4.1Å; F230-Y325 HydrophobicContact CE2-CG 4.14Å; F230-Y325 AromaticContact CG-CD2 3.92Å; F230-Y325 HydrophobicContact CG-CD2 3.92Å; F304-Y325 HydrophobicContact CB-CD1 4.23Å; F304-Y325 HydrophobicContact CB-CD2 3.77Å; F304-Y325 HydrophobicContact CB-CE1 3.98Å; F304-Y325 HydrophobicContact CB-CE2 3.43Å; F304-Y325 VanDerWaalsContact CB-CE2 3.43Å; F304-Y325 HydrophobicContact CB-CG 4.14Å; F304-Y325 HydrophobicContact CD1-CD1 4.29Å; F304-Y325 AromaticContact CD1-CE1 3.96Å; F304-Y325 HydrophobicContact CD1-CE1 3.96Å; F304-Y325 AromaticContact CD2-CD1 3.65Å; F304-Y325 HydrophobicContact CD2-CD1 3.65Å; F304-Y325 HydrophobicContact CD2-CD2 4.14Å; F304-Y325 HydrophobicContact CD2-CE1 4.1Å; F304-Y325 HydrophobicContact CD2-CE2 4.5Å; F304-Y325 AromaticContact CD2-CG 3.67Å; F304-Y325 HydrophobicContact CD2-CG 3.67Å; F304-Y325 HydrophobicContact CE2-CD1 4.09Å; F304-Y325 HydrophobicContact CE2-CG 4.37Å; F304-Y325 AromaticContact CG-CD1 3.77Å; F304-Y325 HydrophobicContact CG-CD1 3.77Å; F304-Y325 HydrophobicContact CG-CD2 4.15Å; F304-Y325 AromaticContact CG-CE1 3.71Å; F304-Y325 HydrophobicContact CG-CE1 3.71Å; F304-Y325 HydrophobicContact CG-CE2 4.05Å; F304-Y325 AromaticContact CG-CG 3.99Å; F304-Y325 HydrophobicContact CG-CG 3.99Å; F304-Y325 AromaticContact CG-CZ 3.84Å; Y325-D327 VanDerWaalsContact CE1-OD2 3.3Å; Y325-D327 WeakPolarHBondContact CE1-OD2 3.11Å; Y325-D327 PolarHBondContact OH-OD2 3.25Å; Y325-P379 HydrophobicContact CD1-CG 4.33Å
326	G	91.9	Very high	97.1	Very high	44 Å²	44	22.9 Å²	22.9	45%	0.454	15%	0.15	S	C	.	.			trans	-164.2	134.8	171.8	0	0	0	0	0	111.6	F378	G326-F378 WeakPolarHBondContact CA-O 3.09Å
327	D	92.8	Very high	97.3	Very high	33 Å²	33	19.5 Å²	19.5	18%	0.176	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	158.6	162.6	-69.3	-62.3	0	0	0	109	Y325 E329 L332 T377 F378	Y325-D327 VanDerWaalsContact CE1-OD2 3.3Å; Y325-D327 WeakPolarHBondContact CE1-OD2 3.11Å; Y325-D327 PolarHBondContact OH-OD2 3.25Å; D327-E329 PolarHBondContact O-N 2.56Å; D327-L332 HydrophobicContact CB-CD1 4.25Å; D327-L332 HydrophobicContact CB-CD2 3.95Å; D327-L332 HydrophobicContact CB-CG 4.25Å; D327-T377 CarbonylContact O-C 3.56Å; D327-T377 VanDerWaalsContact O-CA 3.24Å; D327-T377 WeakPolarHBondContact O-CA 3.43Å; D327-T377 WeakPolarHBondContact O-CB 3.49Å; D327-F378 PolarHBondContact N-O 3.38Å; D327-F378 PolarHBondContact O-N 2.7Å
328	E	97	Very high	97.3	Very high	58 Å²	58	22.3 Å²	22.3	27%	0.271	13%	0.134	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	126.6	170.1	-51.4	-72.2	-152.4	0	0	109.2	D330 S331 R375 T377	E328-D330 PolarHBondContact O-N 2.9Å; E328-S331 VanDerWaalsContact O-CB 3.31Å; E328-S331 WeakPolarHBondContact O-CB 3.4Å; E328-S331 PolarHBondContact O-N 2.99Å; E328-S331 PolarHBondContact O-OG 3.4Å; E328-R375 HydrophobicContact CB-CG 4.41Å; E328-R375 VanDerWaalsContact CG-CZ 3.44Å; E328-R375 IonicContact OE1-CZ 2.71Å; E328-R375 IonicContact OE1-NE 2.78Å; E328-R375 IonicContact OE1-NH1 3.58Å; E328-R375 PolarHBondContact OE1-NH1 3Å; E328-T377 WeakPolarHBondContact OE2-CG2 3.41Å
329	E	97.9	Very high	97.3	Very high	4 Å²	4	22.6 Å²	22.6	2%	0.019	14%	0.135	C	C	.	.	G	3₁₀ helix	trans	-58.7	-38	-172.6	-170.1	-176.8	-112.6	0	0	111.7	D327 S331 L332 I337 P376 F378 S381 S413 N414 V415	D327-E329 PolarHBondContact O-N 2.56Å; E329-S331 PolarHBondContact O-N 3.42Å; E329-L332 PolarHBondContact O-N 3.4Å; E329-I337 HydrophobicContact CG-CD1 3.54Å; E329-P376 HydrophobicContact CB-CG 4.19Å; E329-P376 WeakPolarHBondContact CB-O 3.4Å; E329-P376 PolarHBondContact N-O 3.11Å; E329-F378 HydrophobicContact CB-CB 4.44Å; E329-F378 HydrophobicContact CG-CB 4.42Å; E329-S381 WeakPolarHBondContact OE1-CB 3.36Å; E329-S381 PolarHBondContact OE1-OG 3.44Å; E329-S413 VanDerWaalsContact CD-OG 3.28Å; E329-S413 WeakPolarHBondContact OE1-CB 3.42Å; E329-S413 PolarHBondContact OE1-OG 2.82Å; E329-S413 PolarHBondContact OE2-OG 3.36Å; E329-N414 PolarHBondContact OE2-N 2.9Å; E329-V415 HydrophobicContact CG-CB 4.41Å; E329-V415 HydrophobicContact CG-CG2 3.77Å; E329-V415 PolarHBondContact OE2-N 2.69Å
330	D	97.3	Very high	97.3	Very high	37 Å²	37	20.9 Å²	20.9	20%	0.198	13%	0.127	C	C	.	.	G	3₁₀ helix	trans	-66.1	-15.9	177.6	71.5	-85.5	0	0	0	114.2	R28 E328 W366 R375	R28-D330 IonicContact CZ-OD2 3.67Å; R28-D330 IonicContact NE-OD2 3.22Å; R28-D330 IonicContact NH2-OD2 3.39Å; R28-D330 PolarHBondContact NH2-OD2 3.23Å; E328-D330 PolarHBondContact O-N 2.9Å; D330-W366 HydrophobicContact CB-CD2 4.37Å; D330-W366 HydrophobicContact CB-CE3 4.09Å; D330-W366 HydrophobicContact CB-CH2 3.66Å; D330-W366 HydrophobicContact CB-CZ2 3.91Å; D330-W366 HydrophobicContact CB-CZ3 3.72Å; D330-R375 IonicContact OD1-CZ 3.04Å; D330-R375 IonicContact OD1-NE 3.81Å; D330-R375 PolarHBondContact OD1-NE 3.09Å; D330-R375 IonicContact OD1-NH2 2.85Å; D330-R375 PolarHBondContact OD1-NH2 3.5Å; D330-R375 VanDerWaalsContact OD1-NH2 3.1Å; D330-R375 IonicContact OD2-CZ 3.59Å; D330-R375 IonicContact OD2-NE 3.39Å; D330-R375 IonicContact OD2-NH2 3.1Å; D330-R375 PolarHBondContact OD2-NH2 2.85Å
331	S	96.9	Very high	97.3	Very high	13 Å²	13	21.3 Å²	21.3	9%	0.091	13%	0.129	C	C	.	.	G	3₁₀ helix	trans	-85.9	-15.4	-177.1	77.6	0	0	0	0	113.3	Q27 R28 E328 E329	Q27-S331 PolarHBondContact NE2-O 3.15Å; R28-S331 VanDerWaalsContact CB-O 3.3Å; R28-S331 WeakPolarHBondContact CB-O 3.37Å; R28-S331 PolarHBondContact N-O 2.94Å; E328-S331 VanDerWaalsContact O-CB 3.31Å; E328-S331 WeakPolarHBondContact O-CB 3.4Å; E328-S331 PolarHBondContact O-N 2.99Å; E328-S331 PolarHBondContact O-OG 3.4Å; E329-S331 PolarHBondContact O-N 3.42Å
332	L	98	Very high	97.3	Very high	10 Å²	10	21.4 Å²	21.4	5%	0.052	13%	0.131	C	C	.	.	S	Bend	trans	-93.7	143.6	-172.5	-58.8	178.3	0	0	0	111.1	R175 D327 E329 Y336 I337 F378	R175-L332 HydrophobicContact CG-CD2 4.43Å; D327-L332 HydrophobicContact CB-CD1 4.25Å; D327-L332 HydrophobicContact CB-CD2 3.95Å; D327-L332 HydrophobicContact CB-CG 4.25Å; E329-L332 PolarHBondContact O-N 3.4Å; L332-Y336 HydrophobicContact CB-CD1 4.26Å; L332-Y336 HydrophobicContact CD1-CD1 4.14Å; L332-Y336 HydrophobicContact CD1-CE1 4.14Å; L332-Y336 HydrophobicContact CD2-CD1 3.9Å; L332-Y336 HydrophobicContact CD2-CE1 3.89Å; L332-Y336 HydrophobicContact CG-CD1 4.33Å; L332-I337 HydrophobicContact CB-CB 4.24Å; L332-I337 HydrophobicContact CD1-CB 4.43Å; L332-I337 HydrophobicContact CD1-CD1 4.23Å; L332-I337 HydrophobicContact CD1-CG1 4.11Å; L332-F378 HydrophobicContact CD1-CB 3.92Å; L332-F378 HydrophobicContact CD1-CD1 3.52Å; L332-F378 HydrophobicContact CD1-CE1 4.37Å; L332-F378 HydrophobicContact CD1-CG 4.02Å
333	S	98.6	Very high	97.3	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	13%	0.131	C	C	.	.			trans	-65.2	149.2	169.7	57	0	0	0	0	111.5	E24 D26 Q27 A335 Y336 I337	E24-S333 PolarHBondContact OE1-OG 3.29Å; D26-S333 WeakPolarHBondContact OD1-CA 3.36Å; D26-S333 VanDerWaalsContact OD1-CB 3.23Å; D26-S333 WeakPolarHBondContact OD1-CB 3.45Å; Q27-S333 VanDerWaalsContact OE1-N 3.16Å; S333-A335 PolarHBondContact O-N 2.82Å; S333-Y336 PolarHBondContact O-N 3.02Å; S333-Y336 VanDerWaalsContact O-N 3.17Å; S333-Y336 WeakPolarHBondContact OG-CB 3.2Å; S333-Y336 PolarHBondContact OG-N 3.4Å; S333-Y336 VanDerWaalsContact OG-N 3.1Å; S333-I337 WeakPolarHBondContact O-CG2 3.48Å; S333-I337 PolarHBondContact O-N 2.94Å
334	S	98.6	Very high	97.3	Very high	67 Å²	67	21.4 Å²	21.4	47%	0.469	13%	0.131	S	C	.	.	H	α-helix	trans	-53.5	-41.6	169.2	-173.1	0	0	0	0	111.5	D26 Y336 Q338	D26-S334 WeakPolarHBondContact OD2-CB 3.37Å; D26-S334 PolarHBondContact OD2-N 2.93Å; S334-Y336 PolarHBondContact O-N 3.24Å; S334-Q338 VanDerWaalsContact O-CB 3.25Å; S334-Q338 WeakPolarHBondContact O-CB 3.28Å; S334-Q338 WeakPolarHBondContact O-CG 3.09Å; S334-Q338 PolarHBondContact O-N 2.58Å; S334-Q338 VanDerWaalsContact O-N 3.1Å
335	A	98.6	Very high	97.6	Very high	26 Å²	26	20.9 Å²	20.9	22%	0.215	13%	0.126	C	C	.	.	H	α-helix	trans	-60.3	-46.7	177.6	0	0	0	0	0	112.4	E24 F169 S333 R339	E24-A335 HydrophobicContact CG-CB 4.33Å; F169-A335 HydrophobicContact CB-CB 4.43Å; S333-A335 PolarHBondContact O-N 2.82Å; A335-R339 WeakPolarHBondContact O-CB 3.48Å; A335-R339 PolarHBondContact O-N 2.89Å
336	Y	98.6	Very high	97.8	Very high	1 Å²	1	20 Å²	20	0%	0.004	12%	0.122	C	C	.	.	H	α-helix	trans	-68.6	-51.7	179.9	178	-97	0	0	0	111.8	F169 R175 F304 L332 S333 S334 Q338 R339 V340	F169-Y336 HydrophobicContact CE1-CD2 4.08Å; F169-Y336 AromaticContact CE2-CD2 3.86Å; F169-Y336 HydrophobicContact CE2-CD2 3.86Å; F169-Y336 HydrophobicContact CE2-CE2 4.44Å; F169-Y336 AromaticContact CZ-CD2 3.61Å; F169-Y336 HydrophobicContact CZ-CD2 3.61Å; F169-Y336 HydrophobicContact CZ-CE2 4.21Å; R175-Y336 VanDerWaalsContact CZ-CD2 3.42Å; F304-Y336 WeakPolarHBondContact CD1-OH 3.29Å; L332-Y336 HydrophobicContact CB-CD1 4.26Å; L332-Y336 HydrophobicContact CD1-CD1 4.14Å; L332-Y336 HydrophobicContact CD1-CE1 4.14Å; L332-Y336 HydrophobicContact CD2-CD1 3.9Å; L332-Y336 HydrophobicContact CD2-CE1 3.89Å; L332-Y336 HydrophobicContact CG-CD1 4.33Å; S333-Y336 PolarHBondContact O-N 3.02Å; S333-Y336 VanDerWaalsContact O-N 3.17Å; S333-Y336 WeakPolarHBondContact OG-CB 3.2Å; S333-Y336 PolarHBondContact OG-N 3.4Å; S333-Y336 VanDerWaalsContact OG-N 3.1Å; S334-Y336 PolarHBondContact O-N 3.24Å; Y336-Q338 PolarHBondContact O-N 2.77Å; Y336-R339 PolarHBondContact O-N 3.1Å; Y336-V340 HydrophobicContact CD1-CG2 4.19Å; Y336-V340 HydrophobicContact CD2-CG2 4.31Å; Y336-V340 HydrophobicContact CE1-CG2 3.82Å; Y336-V340 HydrophobicContact CE2-CG2 3.94Å; Y336-V340 HydrophobicContact CG-CG2 4.43Å; Y336-V340 WeakPolarHBondContact O-CG2 3.31Å; Y336-V340 PolarHBondContact O-N 2.68Å
337	I	98.4	Very high	98.1	Very high	3 Å²	3	18.1 Å²	18.1	2%	0.015	10%	0.102	C	C	.	.	H	α-helix	trans	-66.1	-39.2	-172.2	-158.2	-178.7	0	0	0	111.9	E329 L332 S333 N341 F378 V415 F416	E329-I337 HydrophobicContact CG-CD1 3.54Å; L332-I337 HydrophobicContact CB-CB 4.24Å; L332-I337 HydrophobicContact CD1-CB 4.43Å; L332-I337 HydrophobicContact CD1-CD1 4.23Å; L332-I337 HydrophobicContact CD1-CG1 4.11Å; S333-I337 WeakPolarHBondContact O-CG2 3.48Å; S333-I337 PolarHBondContact O-N 2.94Å; I337-N341 WeakPolarHBondContact O-CB 3.21Å; I337-N341 PolarHBondContact O-N 3.29Å; I337-F378 HydrophobicContact CD1-CB 4.08Å; I337-F378 HydrophobicContact CD1-CD1 4.29Å; I337-F378 HydrophobicContact CD1-CD2 3.71Å; I337-F378 HydrophobicContact CD1-CE2 4.19Å; I337-F378 HydrophobicContact CD1-CG 3.75Å; I337-F378 HydrophobicContact CG1-CB 4.47Å; I337-F378 HydrophobicContact CG1-CD1 3.76Å; I337-F378 HydrophobicContact CG1-CD2 3.61Å; I337-F378 HydrophobicContact CG1-CE1 3.75Å; I337-F378 HydrophobicContact CG1-CE2 3.62Å; I337-F378 HydrophobicContact CG1-CG 3.67Å; I337-F378 HydrophobicContact CG1-CZ 3.68Å; I337-V415 HydrophobicContact CD1-CB 4.39Å; I337-V415 HydrophobicContact CD1-CG1 4.32Å; I337-V415 HydrophobicContact CD1-CG2 4.17Å; I337-V415 HydrophobicContact CG2-CG1 4.1Å; I337-F416 HydrophobicContact CD1-CE2 3.78Å; I337-F416 HydrophobicContact CD1-CZ 4.15Å; I337-F416 HydrophobicContact CG1-CE2 3.98Å; I337-F416 HydrophobicContact CG1-CZ 3.91Å
338	Q	98.8	Very high	98.4	Very high	78 Å²	78	16.7 Å²	16.7	36%	0.364	10%	0.095	S	C	.	.	H	α-helix	trans	-69	-37.9	176.7	-66.3	-64.1	-19.3	0	0	111.8	S334 Y336 N341 T342	S334-Q338 VanDerWaalsContact O-CB 3.25Å; S334-Q338 WeakPolarHBondContact O-CB 3.28Å; S334-Q338 WeakPolarHBondContact O-CG 3.09Å; S334-Q338 PolarHBondContact O-N 2.58Å; S334-Q338 VanDerWaalsContact O-N 3.1Å; Y336-Q338 PolarHBondContact O-N 2.77Å; Q338-N341 PolarHBondContact O-N 2.74Å; Q338-T342 PolarHBondContact O-N 2.9Å; Q338-T342 PolarHBondContact O-OG1 2.64Å
339	R	98.7	Very high	98.5	Very high	6 Å²	6	13.9 Å²	13.9	2%	0.023	8%	0.082	C	C	.	.	H	α-helix	trans	-67.1	-47.6	175.8	175.2	54.3	-178	-90.5	-0.6	111.5	L53 Q55 D118 F119 D168 F169 A335 Y336 N341 T342 E343	L53-R339 PolarHBondContact O-NH1 3.06Å; Q55-R339 VanDerWaalsContact OE1-CD 3.32Å; D118-R339 PolarHBondContact O-NH2 2.9Å; D118-R339 IonicContact OD1-NH2 3.55Å; F119-R339 VanDerWaalsContact CD2-NH2 3.3Å; F119-R339 VanDerWaalsContact CE1-NH2 3.33Å; F119-R339 VanDerWaalsContact CZ-CZ 3.48Å; D168-R339 IonicContact OD2-CZ 3.53Å; D168-R339 IonicContact OD2-NH1 3.4Å; D168-R339 PolarHBondContact OD2-NH1 3.23Å; F169-R339 HydrophobicContact CD1-CB 4.42Å; F169-R339 HydrophobicContact CE1-CB 3.78Å; F169-R339 HydrophobicContact CE1-CG 3.68Å; F169-R339 HydrophobicContact CZ-CG 4.47Å; A335-R339 WeakPolarHBondContact O-CB 3.48Å; A335-R339 PolarHBondContact O-N 2.89Å; Y336-R339 PolarHBondContact O-N 3.1Å; R339-N341 VanDerWaalsContact C-N 3.27Å; R339-N341 PolarHBondContact O-N 3.38Å; R339-T342 WeakPolarHBondContact O-CA 3.41Å; R339-T342 VanDerWaalsContact O-CB 3.32Å; R339-T342 WeakPolarHBondContact O-CB 3.37Å; R339-T342 PolarHBondContact O-N 2.8Å; R339-E343 IonicContact CZ-OE1 2.88Å; R339-E343 IonicContact NE-OE1 3.97Å; R339-E343 PolarHBondContact NE-OE1 3.4Å; R339-E343 IonicContact NH2-OE1 3.48Å; R339-E343 PolarHBondContact NH2-OE1 3.39Å; R339-E343 PolarHBondContact O-N 3.33Å
340	V	98.8	Very high	98.6	Very high	1 Å²	1	14.9 Å²	14.9	1%	0.006	9%	0.085	C	C	.	.	H	α-helix	trans	-58	-44.2	175.3	171.9	0	0	0	0	110.4	F304 L308 Y336 T342 E343 L344 F378	F304-V340 HydrophobicContact CE1-CG1 3.66Å; F304-V340 HydrophobicContact CE1-CG2 4.21Å; F304-V340 HydrophobicContact CZ-CG1 3.99Å; L308-V340 HydrophobicContact CD2-CB 4.18Å; L308-V340 HydrophobicContact CD2-CG1 3.82Å; L308-V340 HydrophobicContact CD2-CG2 3.96Å; Y336-V340 HydrophobicContact CD1-CG2 4.19Å; Y336-V340 HydrophobicContact CD2-CG2 4.31Å; Y336-V340 HydrophobicContact CE1-CG2 3.82Å; Y336-V340 HydrophobicContact CE2-CG2 3.94Å; Y336-V340 HydrophobicContact CG-CG2 4.43Å; Y336-V340 WeakPolarHBondContact O-CG2 3.31Å; Y336-V340 PolarHBondContact O-N 2.68Å; V340-T342 PolarHBondContact O-N 3.36Å; V340-E343 WeakPolarHBondContact O-CA 3.34Å; V340-E343 WeakPolarHBondContact O-CB 3.15Å; V340-E343 PolarHBondContact O-N 3.06Å; V340-L344 HydrophobicContact CG1-CD1 4.17Å; V340-L344 HydrophobicContact CG1-CG 4.39Å; V340-L344 WeakPolarHBondContact O-CG 3.27Å; V340-L344 PolarHBondContact O-N 2.82Å; V340-F378 HydrophobicContact CB-CE1 3.68Å; V340-F378 HydrophobicContact CB-CZ 3.72Å; V340-F378 HydrophobicContact CG1-CE1 3.41Å; V340-F378 VanDerWaalsContact CG1-CE1 3.41Å; V340-F378 HydrophobicContact CG1-CZ 3.47Å; V340-F378 VanDerWaalsContact CG1-CZ 3.47Å; V340-F378 HydrophobicContact CG2-CE1 4.37Å
341	N	98.8	Very high	98.6	Very high	9 Å²	9	13.1 Å²	13.1	5%	0.048	8%	0.076	C	C	.	.	H	α-helix	trans	-57.2	-36.5	176.2	-170.9	61	0	0	0	112.6	I337 Q338 R339 L344 M345 S382 P383 F416	I337-N341 WeakPolarHBondContact O-CB 3.21Å; I337-N341 PolarHBondContact O-N 3.29Å; Q338-N341 PolarHBondContact O-N 2.74Å; R339-N341 VanDerWaalsContact C-N 3.27Å; R339-N341 PolarHBondContact O-N 3.38Å; N341-L344 PolarHBondContact O-N 3.17Å; N341-M345 PolarHBondContact O-N 3.14Å; N341-S382 PolarHBondContact OD1-OG 3.35Å; N341-P383 WeakPolarHBondContact OD1-CD 3.14Å; N341-F416 HydrophobicContact CB-CE1 3.72Å; N341-F416 HydrophobicContact CB-CZ 3.7Å
342	T	98.9	Very high	98.7	Very high	11 Å²	11	12.9 Å²	12.9	7%	0.067	7%	0.074	C	C	.	.	H	α-helix	trans	-67	-37.8	173.8	-59.8	0	0	0	0	112.9	L58 L61 Q338 R339 V340 L344 M345 K346	L58-T342 HydrophobicContact CD1-CG2 4.25Å; L58-T342 HydrophobicContact CD2-CG2 3.53Å; L58-T342 HydrophobicContact CG-CG2 4.46Å; L61-T342 HydrophobicContact CD2-CG2 4.32Å; Q338-T342 PolarHBondContact O-N 2.9Å; Q338-T342 PolarHBondContact O-OG1 2.64Å; R339-T342 WeakPolarHBondContact O-CA 3.41Å; R339-T342 VanDerWaalsContact O-CB 3.32Å; R339-T342 WeakPolarHBondContact O-CB 3.37Å; R339-T342 PolarHBondContact O-N 2.8Å; V340-T342 PolarHBondContact O-N 3.36Å; T342-L344 VanDerWaalsContact C-N 3.3Å; T342-L344 PolarHBondContact O-N 3.1Å; T342-M345 HydrophobicContact CG2-CE 4.02Å; T342-M345 WeakPolarHBondContact O-CB 3.45Å; T342-M345 PolarHBondContact O-N 2.84Å; T342-K346 WeakPolarHBondContact O-CG 3.28Å; T342-K346 PolarHBondContact O-N 2.94Å
343	E	98.9	Very high	98.8	Very high	4 Å²	4	12.4 Å²	12.4	2%	0.019	7%	0.071	C	C	.	.	H	α-helix	trans	-65.5	-34.5	173.2	-58.3	-55.9	134.8	0	0	112.5	Q55 F119 L308 S312 R339 V340 K346 A347	Q55-E343 PolarHBondContact NE2-OE1 3.17Å; F119-E343 HydrophobicContact CE2-CG 4.08Å; F119-E343 HydrophobicContact CZ-CG 4.1Å; L308-E343 HydrophobicContact CD1-CB 3.61Å; L308-E343 HydrophobicContact CD2-CB 3.57Å; L308-E343 HydrophobicContact CD2-CG 3.72Å; L308-E343 HydrophobicContact CG-CB 3.53Å; L308-E343 HydrophobicContact CG-CG 3.93Å; S312-E343 PolarHBondContact OG-OE2 3.09Å; R339-E343 IonicContact CZ-OE1 2.88Å; R339-E343 IonicContact NE-OE1 3.97Å; R339-E343 PolarHBondContact NE-OE1 3.4Å; R339-E343 IonicContact NH2-OE1 3.48Å; R339-E343 PolarHBondContact NH2-OE1 3.39Å; R339-E343 PolarHBondContact O-N 3.33Å; V340-E343 WeakPolarHBondContact O-CA 3.34Å; V340-E343 WeakPolarHBondContact O-CB 3.15Å; V340-E343 PolarHBondContact O-N 3.06Å; E343-K346 WeakPolarHBondContact O-CB 3.45Å; E343-K346 PolarHBondContact O-N 2.86Å; E343-K346 IonicContact OE1-NZ 3.26Å; E343-K346 PolarHBondContact OE1-NZ 2.75Å; E343-K346 WeakPolarHBondContact OE2-CD 3.19Å; E343-K346 WeakPolarHBondContact OE2-CE 3Å; E343-K346 IonicContact OE2-NZ 3.42Å; E343-K346 PolarHBondContact OE2-NZ 3.4Å; E343-A347 PolarHBondContact O-N 3.46Å
344	L	98.9	Very high	98.8	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-67.1	-37.8	172.2	-58.2	170.2	0	0	0	111	L308 V340 N341 T342 K346 A347 A348 L354 F356 F378 P379 S382 V385	L308-L344 HydrophobicContact CD1-CD2 4.23Å; V340-L344 HydrophobicContact CG1-CD1 4.17Å; V340-L344 HydrophobicContact CG1-CG 4.39Å; V340-L344 WeakPolarHBondContact O-CG 3.27Å; V340-L344 PolarHBondContact O-N 2.82Å; N341-L344 PolarHBondContact O-N 3.17Å; T342-L344 VanDerWaalsContact C-N 3.3Å; T342-L344 PolarHBondContact O-N 3.1Å; L344-K346 PolarHBondContact O-N 3.36Å; L344-A347 WeakPolarHBondContact O-CB 3.25Å; L344-A347 PolarHBondContact O-N 2.8Å; L344-A348 PolarHBondContact O-N 3.15Å; L344-L354 HydrophobicContact CD2-CD1 3.51Å; L344-F356 HydrophobicContact CD2-CE2 4.06Å; L344-F356 HydrophobicContact CD2-CZ 4.29Å; L344-F378 HydrophobicContact CD1-CZ 4.43Å; L344-P379 HydrophobicContact CD1-CB 4.09Å; L344-S382 WeakPolarHBondContact CD1-OG 3.47Å; L344-V385 HydrophobicContact CB-CG1 4.28Å; L344-V385 HydrophobicContact CD1-CG1 3.78Å; L344-V385 HydrophobicContact CD2-CG1 3.88Å; L344-V385 HydrophobicContact CG-CG1 4.17Å
345	M	98.8	Very high	98.8	Very high	14 Å²	14	9.6 Å²	9.6	7%	0.069	5%	0.051	C	C	.	.	H	α-helix	trans	-59.6	-42.4	169	-70.6	-166.8	-72	0	0	112.5	L61 V65 N341 T342 A347 A348 A349 Y384	L61-M345 HydrophobicContact CD2-CB 3.82Å; L61-M345 HydrophobicContact CG-CB 4.26Å; V65-M345 HydrophobicContact CG2-CB 4.34Å; V65-M345 VanDerWaalsContact CG2-O 3.31Å; V65-M345 WeakPolarHBondContact CG2-O 3.2Å; N341-M345 PolarHBondContact O-N 3.14Å; T342-M345 HydrophobicContact CG2-CE 4.02Å; T342-M345 WeakPolarHBondContact O-CB 3.45Å; T342-M345 PolarHBondContact O-N 2.84Å; M345-A347 VanDerWaalsContact C-N 3.3Å; M345-A347 PolarHBondContact O-N 2.8Å; M345-A348 WeakPolarHBondContact O-CB 3.19Å; M345-A348 PolarHBondContact O-N 2.88Å; M345-A349 WeakPolarHBondContact O-CB 3.27Å; M345-A349 PolarHBondContact O-N 2.93Å; M345-Y384 HydrophobicContact CG-CD1 3.8Å; M345-Y384 HydrophobicContact CG-CD2 3.25Å; M345-Y384 HydrophobicContact CG-CE1 3.73Å; M345-Y384 HydrophobicContact CG-CE2 3.17Å; M345-Y384 HydrophobicContact CG-CG 3.57Å; M345-Y384 VanDerWaalsContact CG-CZ 3.41Å; M345-Y384 HydrophobicContact SD-CD2 4.08Å; M345-Y384 HydrophobicContact SD-CE1 4.13Å; M345-Y384 HydrophobicContact SD-CE2 3.34Å; M345-Y384 WeakPolarHBondContact SD-CE2 3.46Å; M345-Y384 PolarHBondContact SD-OH 2.98Å; M345-Y384 VanDerWaalsContact SD-OH 3.35Å
346	K	98.9	Very high	98.8	Very high	2 Å²	2	8.3 Å²	8.3	1%	0.009	4%	0.04	C	C	.	.	H	α-helix	trans	-61.2	-39.3	176.7	-70.8	167.4	54.4	-171.9	0	111.5	L61 V85 V89 T116 D118 S312 T342 E343 L344 R350	L61-K346 HydrophobicContact CD2-CG 3.76Å; V85-K346 HydrophobicContact CG1-CB 4Å; V85-K346 HydrophobicContact CG1-CD 4.3Å; V85-K346 HydrophobicContact CG1-CG 3.79Å; V89-K346 HydrophobicContact CG2-CD 4.06Å; T116-K346 PolarHBondContact OG1-NZ 2.93Å; D118-K346 IonicContact OD1-NZ 2.77Å; D118-K346 PolarHBondContact OD1-NZ 3.02Å; D118-K346 IonicContact OD2-NZ 2.71Å; D118-K346 PolarHBondContact OD2-NZ 3.36Å; S312-K346 VanDerWaalsContact OG-CE 3.32Å; S312-K346 WeakPolarHBondContact OG-CE 3.45Å; S312-K346 PolarHBondContact OG-NZ 3.27Å; T342-K346 WeakPolarHBondContact O-CG 3.28Å; T342-K346 PolarHBondContact O-N 2.94Å; E343-K346 WeakPolarHBondContact O-CB 3.45Å; E343-K346 PolarHBondContact O-N 2.86Å; E343-K346 IonicContact OE1-NZ 3.26Å; E343-K346 PolarHBondContact OE1-NZ 2.75Å; E343-K346 WeakPolarHBondContact OE2-CD 3.19Å; E343-K346 WeakPolarHBondContact OE2-CE 3Å; E343-K346 IonicContact OE2-NZ 3.42Å; E343-K346 PolarHBondContact OE2-NZ 3.4Å; L344-K346 PolarHBondContact O-N 3.36Å; K346-R350 WeakPolarHBondContact O-CG 3.36Å; K346-R350 PolarHBondContact O-N 3.47Å
347	A	98.8	Very high	98.8	Very high	3 Å²	3	8.7 Å²	8.7	3%	0.025	4%	0.043	C	C	.	.	H	α-helix	trans	-66.1	-44.3	174.2	0	0	0	0	0	112	E343 L344 M345 A349 R350 G351 L352 L354	E343-A347 PolarHBondContact O-N 3.46Å; L344-A347 WeakPolarHBondContact O-CB 3.25Å; L344-A347 PolarHBondContact O-N 2.8Å; M345-A347 VanDerWaalsContact C-N 3.3Å; M345-A347 PolarHBondContact O-N 2.8Å; A347-A349 VanDerWaalsContact C-N 3.35Å; A347-A349 PolarHBondContact O-N 3.49Å; A347-R350 PolarHBondContact O-N 3.46Å; A347-R350 VanDerWaalsContact O-N 3.13Å; A347-G351 PolarHBondContact O-N 2.91Å; A347-L352 HydrophobicContact CB-CB 4.3Å; A347-L352 HydrophobicContact CB-CD1 4.06Å; A347-L352 WeakPolarHBondContact O-CB 3.34Å; A347-L352 PolarHBondContact O-N 3.03Å; A347-L352 VanDerWaalsContact O-N 3.15Å; A347-L354 HydrophobicContact CB-CD1 3.53Å; A347-L354 HydrophobicContact CB-CG 4.11Å
348	A	98.9	Very high	98.8	Very high	3 Å²	3	8.5 Å²	8.5	3%	0.025	4%	0.043	C	C	.	.	H	α-helix	trans	-59.5	-42.8	175.8	0	0	0	0	0	112.3	V65 L344 M345 R350 G351 F502	V65-A348 HydrophobicContact CG1-CB 3.76Å; V65-A348 HydrophobicContact CG2-CB 4.27Å; L344-A348 PolarHBondContact O-N 3.15Å; M345-A348 WeakPolarHBondContact O-CB 3.19Å; M345-A348 PolarHBondContact O-N 2.88Å; A348-R350 PolarHBondContact O-N 3.41Å; A348-G351 PolarHBondContact O-N 3.27Å; A348-F502 HydrophobicContact CB-CB 3.71Å; A348-F502 HydrophobicContact CB-CD1 4.32Å; A348-F502 HydrophobicContact CB-CG 4.06Å
349	A	98.8	Very high	98.8	Very high	0 Å²	0	5.8 Å²	5.8	0%	0	4%	0.035	C	C	.	.	H	α-helix	trans	-60.8	-29	177.7	0	0	0	0	0	112.7	L61 V65 Y79 L80 V85 M345 A347 G351	L61-A349 HydrophobicContact CD1-CB 3.73Å; V65-A349 HydrophobicContact CG2-CB 3.76Å; Y79-A349 WeakPolarHBondContact CA-O 3.31Å; L80-A349 PolarHBondContact N-O 3.12Å; V85-A349 HydrophobicContact CG2-CB 4.36Å; M345-A349 WeakPolarHBondContact O-CB 3.27Å; M345-A349 PolarHBondContact O-N 2.93Å; A347-A349 VanDerWaalsContact C-N 3.35Å; A347-A349 PolarHBondContact O-N 3.49Å; A349-G351 VanDerWaalsContact C-N 3.33Å
350	R	98.8	Very high	98.7	Very high	25 Å²	25	8.5 Å²	8.5	9%	0.094	5%	0.05	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.2	0.5	177.8	-66.9	172.6	62	-164.6	5.8	114.1	L80 V85 L311 E314 S315 K346 A347 A348 L352	L80-R350 WeakPolarHBondContact O-CA 3.49Å; L80-R350 WeakPolarHBondContact O-CG 3.32Å; V85-R350 HydrophobicContact CG2-CG 3.76Å; L311-R350 PolarHBondContact O-NH1 3.03Å; E314-R350 PolarHBondContact O-NH2 3.3Å; S315-R350 PolarHBondContact O-NH2 3.03Å; S315-R350 VanDerWaalsContact O-NH2 3.12Å; K346-R350 WeakPolarHBondContact O-CG 3.36Å; K346-R350 PolarHBondContact O-N 3.47Å; A347-R350 PolarHBondContact O-N 3.46Å; A347-R350 VanDerWaalsContact O-N 3.13Å; A348-R350 PolarHBondContact O-N 3.41Å; R350-L352 VanDerWaalsContact C-N 3.34Å; R350-L352 HydrophobicContact CB-CG 4.26Å
351	G	98.7	Very high	98.6	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.4	28.4	-178.7	0	0	0	0	0	113.5	A347 A348 A349 G501	A347-G351 PolarHBondContact O-N 2.91Å; A348-G351 PolarHBondContact O-N 3.27Å; A349-G351 VanDerWaalsContact C-N 3.33Å; G351-G501 VanDerWaalsContact O-CA 3.22Å; G351-G501 WeakPolarHBondContact O-CA 3.29Å
352	L	98.9	Very high	98.6	Very high	8 Å²	8	12.2 Å²	12.2	4%	0.042	8%	0.078	C	C	.	.			trans	-84.6	135.4	169.2	-55.5	-179.5	0	0	0	109.5	L317 P318 A347 R350 G501	L317-L352 HydrophobicContact CB-CD2 4.19Å; L317-L352 HydrophobicContact CD1-CD1 3.86Å; P318-L352 WeakPolarHBondContact O-CD2 3.48Å; A347-L352 HydrophobicContact CB-CB 4.3Å; A347-L352 HydrophobicContact CB-CD1 4.06Å; A347-L352 WeakPolarHBondContact O-CB 3.34Å; A347-L352 PolarHBondContact O-N 3.03Å; A347-L352 VanDerWaalsContact O-N 3.15Å; R350-L352 VanDerWaalsContact C-N 3.34Å; R350-L352 HydrophobicContact CB-CG 4.26Å; L352-G501 CarbonylContact O-C 3.55Å
353	T	98.9	Very high	98.6	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	105	169.2	-51	0	0	0	0	108.3	H319 V320 H321 L355 L485 G501	H319-T353 PolarHBondContact O-N 2.93Å; V320-T353 WeakPolarHBondContact CA-O 3.39Å; H321-T353 PolarHBondContact N-O 3.2Å; T353-L355 HydrophobicContact CG2-CD1 3.76Å; T353-L355 HydrophobicContact CG2-CG 4.42Å; T353-L485 HydrophobicContact CG2-CD1 3.9Å; T353-G501 WeakPolarHBondContact CA-O 3.31Å; T353-G501 WeakPolarHBondContact CB-O 3.43Å; T353-G501 PolarHBondContact OG1-N 2.9Å; T353-G501 PolarHBondContact OG1-O 3.02Å
354	L	98.9	Very high	98.6	Very high	7 Å²	7	12 Å²	12	4%	0.037	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	121.2	174	-62.8	-174.3	0	0	0	109.7	W307 L311 H321 L344 A347 F356 V385 T386	W307-L354 HydrophobicContact CH2-CD1 4.47Å; W307-L354 HydrophobicContact CH2-CD2 4.32Å; W307-L354 HydrophobicContact CZ2-CD2 4.36Å; L311-L354 HydrophobicContact CD1-CD1 4.46Å; L311-L354 HydrophobicContact CD1-CD2 4.42Å; H321-L354 HydrophobicContact CB-CD2 3.56Å; L344-L354 HydrophobicContact CD2-CD1 3.51Å; A347-L354 HydrophobicContact CB-CD1 3.53Å; A347-L354 HydrophobicContact CB-CG 4.11Å; L354-F356 HydrophobicContact CB-CE2 4.16Å; L354-V385 HydrophobicContact CB-CG1 4.22Å; L354-T386 PolarHBondContact O-N 3.35Å
355	L	98.9	Very high	98.5	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	133.9	175	-58.3	90.4	0	0	0	110.5	V320 H321 T322 V323 T353 T386 V388 T478 F481 L485	V320-L355 HydrophobicContact CG1-CD1 3.53Å; H321-L355 PolarHBondContact O-N 2.94Å; T322-L355 HydrophobicContact CG2-CB 4.43Å; T322-L355 HydrophobicContact CG2-CD1 4.16Å; V323-L355 PolarHBondContact N-O 3.35Å; T353-L355 HydrophobicContact CG2-CD1 3.76Å; T353-L355 HydrophobicContact CG2-CG 4.42Å; L355-T386 WeakPolarHBondContact CA-O 3.39Å; L355-V388 HydrophobicContact CB-CG2 4.13Å; L355-V388 HydrophobicContact CD2-CG2 3.83Å; L355-T478 HydrophobicContact CB-CG2 3.85Å; L355-F481 HydrophobicContact CD2-CB 4.26Å; L355-F481 HydrophobicContact CD2-CD1 3.86Å; L355-F481 HydrophobicContact CD2-CG 4.48Å; L355-L485 HydrophobicContact CD1-CD1 4.42Å; L355-L485 HydrophobicContact CD2-CD1 4.01Å
356	F	98.9	Very high	98.4	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	138.8	178	-80.6	-96	0	0	0	111.4	F304 W307 V323 L344 L354 S358 P379 V385 T386 T387 V388	F304-F356 AromaticContact CE2-CE1 3.71Å; F304-F356 HydrophobicContact CE2-CE1 3.71Å; F304-F356 AromaticContact CE2-CZ 3.86Å; F304-F356 HydrophobicContact CE2-CZ 3.86Å; F304-F356 HydrophobicContact CZ-CE1 4.29Å; F304-F356 HydrophobicContact CZ-CZ 4.23Å; W307-F356 HydrophobicContact CH2-CE2 4.46Å; W307-F356 AromaticContact CH2-CZ 3.91Å; W307-F356 HydrophobicContact CH2-CZ 3.91Å; W307-F356 AromaticContact CZ3-CZ 3.98Å; W307-F356 HydrophobicContact CZ3-CZ 3.98Å; V323-F356 HydrophobicContact CB-CD1 3.8Å; V323-F356 HydrophobicContact CB-CD2 4.44Å; V323-F356 HydrophobicContact CB-CE1 3.59Å; V323-F356 HydrophobicContact CB-CE2 4.27Å; V323-F356 HydrophobicContact CB-CG 4.24Å; V323-F356 HydrophobicContact CB-CZ 3.85Å; V323-F356 HydrophobicContact CG1-CD1 3.92Å; V323-F356 HydrophobicContact CG1-CE1 3.35Å; V323-F356 HydrophobicContact CG1-CZ 3.82Å; V323-F356 HydrophobicContact CG2-CE1 4.27Å; V323-F356 HydrophobicContact CG2-CE2 4.22Å; V323-F356 HydrophobicContact CG2-CZ 4Å; V323-F356 WeakPolarHBondContact O-CA 3.32Å; L344-F356 HydrophobicContact CD2-CE2 4.06Å; L344-F356 HydrophobicContact CD2-CZ 4.29Å; L354-F356 HydrophobicContact CB-CE2 4.16Å; F356-S358 PolarHBondContact O-N 2.93Å; F356-P379 HydrophobicContact CD1-CB 3.85Å; F356-P379 HydrophobicContact CD1-CG 3.96Å; F356-P379 HydrophobicContact CD2-CB 4.42Å; F356-P379 HydrophobicContact CE1-CB 3.76Å; F356-P379 HydrophobicContact CE1-CG 3.55Å; F356-P379 HydrophobicContact CE2-CB 4.34Å; F356-P379 HydrophobicContact CG-CB 4.17Å; F356-P379 HydrophobicContact CZ-CB 4.02Å; F356-P379 HydrophobicContact CZ-CG 4.02Å; F356-V385 HydrophobicContact CD2-CB 3.79Å; F356-V385 HydrophobicContact CD2-CG1 3.65Å; F356-V385 HydrophobicContact CD2-CG2 4.09Å; F356-V385 HydrophobicContact CE2-CB 4.36Å; F356-V385 HydrophobicContact CE2-CG1 3.71Å; F356-T386 PolarHBondContact N-O 3.37Å; F356-T386 VanDerWaalsContact N-O 3.09Å; F356-T387 CarbonylContact O-C 3.58Å; F356-T387 WeakPolarHBondContact O-CA 3.39Å; F356-V388 PolarHBondContact O-N 2.9Å
357	A	98.8	Very high	98.3	Very high	8 Å²	8	20.3 Å²	20.3	7%	0.066	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.8	133.5	169.3	0	0	0	0	0	110.2	V323 G359 T478	V323-A357 PolarHBondContact O-N 3.49Å; A357-G359 VanDerWaalsContact C-N 3.26Å; A357-G359 PolarHBondContact O-N 2.89Å; A357-T478 WeakPolarHBondContact CA-OG1 3.31Å; A357-T478 WeakPolarHBondContact CB-OG1 3.31Å; A357-T478 PolarHBondContact N-OG1 2.92Å
358	S	98.8	Very high	98	Very high	0 Å²	0	22 Å²	22	0%	0	14%	0.139	C	C	.	.			trans	-74.1	-17.6	-177.1	73.4	0	0	0	0	113.8	F356 T377 V388 G389 G409	F356-S358 PolarHBondContact O-N 2.93Å; S358-T377 PolarHBondContact O-OG1 2.88Å; S358-V388 WeakPolarHBondContact CB-O 2.89Å; S358-V388 PolarHBondContact N-O 3.06Å; S358-V388 PolarHBondContact OG-O 3.37Å; S358-G389 WeakPolarHBondContact OG-CA 3.25Å; S358-G409 WeakPolarHBondContact CB-O 3.36Å; S358-G409 VanDerWaalsContact OG-C 3.29Å; S358-G409 VanDerWaalsContact OG-CA 3.26Å; S358-G409 WeakPolarHBondContact OG-CA 3.33Å; S358-G409 PolarHBondContact OG-N 3.02Å; S358-G409 VanDerWaalsContact OG-N 3.13Å; S358-G409 PolarHBondContact OG-O 3.25Å
359	G	97.3	Very high	97.6	Very high	20 Å²	20	27.5 Å²	27.5	21%	0.206	18%	0.177	C	C	.	.			trans	114.2	164.9	-177.6	0	0	0	0	0	112.3	A357 G409 T474	A357-G359 VanDerWaalsContact C-N 3.26Å; A357-G359 PolarHBondContact O-N 2.89Å; G359-G409 VanDerWaalsContact O-CA 3.31Å; G359-G409 WeakPolarHBondContact O-CA 3.42Å; G359-G409 PolarHBondContact O-N 2.87Å; G359-T474 PolarHBondContact N-OG1 3.48Å; G359-T474 VanDerWaalsContact N-OG1 3.11Å; G359-T474 VanDerWaalsContact O-CG2 3.32Å; G359-T474 WeakPolarHBondContact O-CG2 3.34Å; G359-T474 PolarHBondContact O-OG1 2.81Å
360	D	97.4	Very high	97.2	Very high	63 Å²	63	31.7 Å²	31.7	34%	0.337	22%	0.22	S	C	.	.	S	Bend	trans	-119.4	26.3	-171.5	-61.9	-15.3	0	0	0	112.1	I407 G473 T474	D360-I407 CarbonylContact C-O 3.52Å; D360-I407 VanDerWaalsContact CA-O 3.23Å; D360-I407 WeakPolarHBondContact CA-O 3.2Å; D360-I407 HydrophobicContact CB-CB 4.48Å; D360-I407 HydrophobicContact CB-CD1 4.46Å; D360-G473 WeakPolarHBondContact OD1-CA 3.4Å; D360-G473 VanDerWaalsContact OD2-CA 3.32Å; D360-G473 WeakPolarHBondContact OD2-CA 3.3Å; D360-T474 PolarHBondContact OD1-N 3.27Å; D360-T474 PolarHBondContact OD1-OG1 3.38Å
361	S	97.5	Very high	97	Very high	85 Å²	85	39.6 Å²	39.6	59%	0.594	25%	0.25	S	C	*	.	S	Bend	trans	-130.9	25.1	-176.6	-63.2	0	0	0	0	112.9	A363 G364 I407	S361-A363 PolarHBondContact O-N 2.99Å; S361-G364 WeakPolarHBondContact O-CA 3Å; S361-G364 PolarHBondContact O-N 3Å; S361-I407 PolarHBondContact N-O 2.7Å; S361-I407 VanDerWaalsContact N-O 3.16Å
362	G	98.6	Very high	96.9	Very high	4 Å²	4	42.7 Å²	42.7	4%	0.041	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	59.4	-130.1	-179.8	0	0	0	0	0	112.6	G364 I407 S408 G409 G410 A524	G362-G364 PolarHBondContact O-N 3.41Å; G362-I407 PolarHBondContact N-O 3.5Å; G362-S408 WeakPolarHBondContact CA-O 3.48Å; G362-G409 VanDerWaalsContact O-CA 3.31Å; G362-G409 WeakPolarHBondContact O-CA 3.36Å; G362-G410 PolarHBondContact O-N 3.23Å; G362-A524 CarbonylContact C-O 3.49Å; G362-A524 VanDerWaalsContact CA-O 3.28Å; G362-A524 WeakPolarHBondContact CA-O 3.35Å
363	A	98.6	Very high	96.9	Very high	1 Å²	1	44.6 Å²	44.6	1%	0.008	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-8.9	173.4	0	0	0	0	0	113.5	S361 F374 R375 G410 H523 A524	S361-A363 PolarHBondContact O-N 2.99Å; A363-F374 HydrophobicContact CB-CB 3.99Å; A363-F374 HydrophobicContact CB-CD1 3.64Å; A363-F374 HydrophobicContact CB-CD2 3.76Å; A363-F374 HydrophobicContact CB-CE1 4.01Å; A363-F374 HydrophobicContact CB-CE2 4.1Å; A363-F374 HydrophobicContact CB-CG 3.52Å; A363-F374 HydrophobicContact CB-CZ 4.22Å; A363-F374 WeakPolarHBondContact O-CB 3.38Å; A363-R375 PolarHBondContact O-N 2.91Å; A363-G410 WeakPolarHBondContact CA-O 3.35Å; A363-H523 WeakPolarHBondContact CB-NE2 3.22Å; A363-H523 PolarHBondContact N-CE1 2.96Å; A363-H523 PolarHBondContact N-ND1 2.75Å; A363-A524 PolarHBondContact N-O 2.77Å
364	G	98.1	Very high	96.8	Very high	8 Å²	8	44.9 Å²	44.9	8%	0.082	27%	0.274	C	S	.	.			trans	69.4	171.4	-168.4	0	0	0	0	0	112.2	S361 G362 S525	S361-G364 WeakPolarHBondContact O-CA 3Å; S361-G364 PolarHBondContact O-N 3Å; G362-G364 PolarHBondContact O-N 3.41Å; G364-S525 PolarHBondContact O-OG 3.24Å; G364-S525 VanDerWaalsContact O-OG 3.05Å
365	C	97.9	Very high	96.8	Very high	52 Å²	52	46.7 Å²	46.7	35%	0.351	28%	0.281	S	S	.	.			trans	-138.9	122.7	176.6	-172.6	0	0	0	0	110.3	C526	C365-C526 WeakPolarHBondContact CA-SG 3.42Å; C365-C526 HydrophobicContact CB-CB 3.97Å; C365-C526 WeakPolarHBondContact CB-SG 3.45Å; C365-C526 WeakPolarHBondContact SG-CA 3.27Å; C365-C526 WeakPolarHBondContact SG-CB 3.37Å; C365-C526 CovalentContact SG-SG 2.03Å; C365-C526 PolarHBondContact SG-SG 3.3Å
366	W	97	Very high	96.8	Very high	56 Å²	56	46.9 Å²	46.9	21%	0.212	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	113.2	179.4	-174.6	18.7	0	0	0	111.2	D330 V368 H372 Q373 R375	D330-W366 HydrophobicContact CB-CD2 4.37Å; D330-W366 HydrophobicContact CB-CE3 4.09Å; D330-W366 HydrophobicContact CB-CH2 3.66Å; D330-W366 HydrophobicContact CB-CZ2 3.91Å; D330-W366 HydrophobicContact CB-CZ3 3.72Å; W366-V368 HydrophobicContact CD2-CB 4.15Å; W366-V368 HydrophobicContact CD2-CG1 4.23Å; W366-V368 HydrophobicContact CE3-CG1 4.48Å; W366-V368 HydrophobicContact CG-CB 4.49Å; W366-V368 HydrophobicContact CH2-CG2 4.25Å; W366-V368 HydrophobicContact CZ2-CB 3.92Å; W366-V368 HydrophobicContact CZ2-CG1 4.5Å; W366-V368 HydrophobicContact CZ2-CG2 3.74Å; W366-V368 PolarHBondContact O-N 3.24Å; W366-H372 WeakPolarHBondContact O-CA 3.38Å; W366-Q373 HydrophobicContact CB-CG 4.26Å; W366-Q373 HydrophobicContact CD2-CG 4.48Å; W366-Q373 HydrophobicContact CE3-CG 4Å; W366-Q373 PolarHBondContact N-O 3.26Å; W366-Q373 PolarHBondContact O-N 2.86Å; W366-R375 HydrophobicContact CB-CB 3.94Å; W366-R375 HydrophobicContact CB-CG 3.88Å; W366-R375 HydrophobicContact CG-CG 4.41Å
367	S	95.8	Very high	96.8	Very high	83 Å²	83	48 Å²	48	58%	0.58	29%	0.288	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.3	112.5	168.9	-47.8	0	0	0	0	110.5	R371 H372	S367-R371 CarbonylContact C-O 3.58Å; S367-R371 WeakPolarHBondContact CA-O 3.36Å; S367-H372 PolarHBondContact OG-CD2 3.04Å; S367-H372 VanDerWaalsContact OG-CD2 3.31Å; S367-H372 PolarHBondContact OG-NE2 3.41Å
368	V	92.9	Very high	96.8	Very high	39 Å²	39	47.6 Å²	47.6	24%	0.236	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	135.2	-179.5	63.6	0	0	0	0	110.3	W366 G370 R371 Q373	W366-V368 HydrophobicContact CD2-CB 4.15Å; W366-V368 HydrophobicContact CD2-CG1 4.23Å; W366-V368 HydrophobicContact CE3-CG1 4.48Å; W366-V368 HydrophobicContact CG-CB 4.49Å; W366-V368 HydrophobicContact CH2-CG2 4.25Å; W366-V368 HydrophobicContact CZ2-CB 3.92Å; W366-V368 HydrophobicContact CZ2-CG1 4.5Å; W366-V368 HydrophobicContact CZ2-CG2 3.74Å; W366-V368 PolarHBondContact O-N 3.24Å; V368-G370 PolarHBondContact O-N 2.85Å; V368-G370 VanDerWaalsContact O-N 3.1Å; V368-R371 PolarHBondContact N-O 3Å; V368-R371 PolarHBondContact O-N 2.87Å; V368-Q373 HydrophobicContact CG1-CG 3.84Å
369	S	90.1	Very high	96.8	Very high	118 Å²	118	47.6 Å²	47.6	83%	0.825	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.7	33.8	177.4	-57.1	0	0	0	0	114.7	R371	S369-R371 VanDerWaalsContact C-N 3.27Å; S369-R371 PolarHBondContact O-N 3.02Å
370	G	89.9	Confident	96.8	Very high	88 Å²	88	46.7 Å²	46.7	91%	0.907	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.4	14.4	-178.7	0	0	0	0	0	114.7	V368	V368-G370 PolarHBondContact O-N 2.85Å; V368-G370 VanDerWaalsContact O-N 3.1Å
371	R	94.3	Very high	96.9	Very high	191 Å²	191	43.7 Å²	43.7	72%	0.721	26%	0.26	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130.9	169.3	177	-57.7	-176.6	-174.9	-160.7	-1.6	110.3	S367 V368 S369	S367-R371 CarbonylContact C-O 3.58Å; S367-R371 WeakPolarHBondContact CA-O 3.36Å; V368-R371 PolarHBondContact N-O 3Å; V368-R371 PolarHBondContact O-N 2.87Å; S369-R371 VanDerWaalsContact C-N 3.27Å; S369-R371 PolarHBondContact O-N 3.02Å
372	H	97.6	Very high	97	Very high	66 Å²	66	39.7 Å²	39.7	31%	0.306	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	150.4	171.7	-67.3	166.1	0	0	0	111.3	W366 S367 Y441 D528	W366-H372 WeakPolarHBondContact O-CA 3.38Å; S367-H372 PolarHBondContact OG-CD2 3.04Å; S367-H372 VanDerWaalsContact OG-CD2 3.31Å; S367-H372 PolarHBondContact OG-NE2 3.41Å; H372-Y441 HydrophobicContact CB-CE1 3.83Å; H372-D528 IonicContact CE1-OD2 3.92Å; H372-D528 IonicContact CG-OD2 3.55Å; H372-D528 IonicContact ND1-OD2 2.8Å; H372-D528 PolarHBondContact ND1-OD2 2.77Å
373	Q	98	Very high	97	Very high	47 Å²	47	40 Å²	40	22%	0.22	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	165.9	166.3	62.6	-172.6	27.5	0	0	109.4	W366 V368	W366-Q373 HydrophobicContact CB-CG 4.26Å; W366-Q373 HydrophobicContact CD2-CG 4.48Å; W366-Q373 HydrophobicContact CE3-CG 4Å; W366-Q373 PolarHBondContact N-O 3.26Å; W366-Q373 PolarHBondContact O-N 2.86Å; V368-Q373 HydrophobicContact CG1-CG 3.84Å
374	F	98.7	Very high	97	Very high	7 Å²	7	42 Å²	42	3%	0.031	24%	0.241	C	C	.	.			trans	-68.2	156.9	175	-60.5	-20.7	0	0	0	111.4	A363 P437 Y441 F442 S525 V531 F536	A363-F374 HydrophobicContact CB-CB 3.99Å; A363-F374 HydrophobicContact CB-CD1 3.64Å; A363-F374 HydrophobicContact CB-CD2 3.76Å; A363-F374 HydrophobicContact CB-CE1 4.01Å; A363-F374 HydrophobicContact CB-CE2 4.1Å; A363-F374 HydrophobicContact CB-CG 3.52Å; A363-F374 HydrophobicContact CB-CZ 4.22Å; A363-F374 WeakPolarHBondContact O-CB 3.38Å; F374-P437 HydrophobicContact CE2-CB 3.63Å; F374-P437 HydrophobicContact CE2-CG 3.62Å; F374-P437 HydrophobicContact CZ-CB 3.5Å; F374-P437 HydrophobicContact CZ-CG 3.66Å; F374-Y441 VanDerWaalsContact CB-O 3.23Å; F374-Y441 WeakPolarHBondContact CB-O 3.33Å; F374-Y441 AromaticContact CD1-CD1 3.67Å; F374-Y441 HydrophobicContact CD1-CD1 3.67Å; F374-Y441 HydrophobicContact CD1-CG 4.35Å; F374-Y441 AromaticContact CE1-CD1 3.46Å; F374-Y441 HydrophobicContact CE1-CD1 3.46Å; F374-Y441 VanDerWaalsContact CE1-CD1 3.46Å; F374-Y441 HydrophobicContact CE1-CE1 4.37Å; F374-Y441 HydrophobicContact CE1-CG 4.09Å; F374-Y441 WeakPolarHBondContact CG-O 3.24Å; F374-Y441 HydrophobicContact CZ-CD1 4.21Å; F374-Y441 HydrophobicContact CZ-CG 4.44Å; F374-Y441 PolarHBondContact N-O 3.32Å; F374-F442 HydrophobicContact CD2-CB 3.96Å; F374-S525 WeakPolarHBondContact CD1-OG 3.23Å; F374-S525 WeakPolarHBondContact CE1-OG 3.39Å; F374-V531 HydrophobicContact CE1-CG1 4.46Å; F374-F536 HydrophobicContact CD2-CD2 4.28Å; F374-F536 AromaticContact CD2-CE2 3.46Å; F374-F536 HydrophobicContact CD2-CE2 3.46Å; F374-F536 VanDerWaalsContact CD2-CE2 3.46Å; F374-F536 AromaticContact CD2-CZ 3.69Å; F374-F536 HydrophobicContact CD2-CZ 3.69Å; F374-F536 HydrophobicContact CE2-CD2 4.07Å; F374-F536 HydrophobicContact CE2-CE1 4.19Å; F374-F536 AromaticContact CE2-CE2 3.56Å; F374-F536 HydrophobicContact CE2-CE2 3.56Å; F374-F536 AromaticContact CE2-CZ 3.63Å; F374-F536 HydrophobicContact CE2-CZ 3.63Å
375	R	98.6	Very high	97	Very high	44 Å²	44	41.6 Å²	41.6	17%	0.166	24%	0.237	C	C	.	.			trans	-127.9	88.4	-169.2	-158.1	174.7	-164	-161	-2.7	110.2	E328 D330 A363 W366	E328-R375 HydrophobicContact CB-CG 4.41Å; E328-R375 VanDerWaalsContact CG-CZ 3.44Å; E328-R375 IonicContact OE1-CZ 2.71Å; E328-R375 IonicContact OE1-NE 2.78Å; E328-R375 IonicContact OE1-NH1 3.58Å; E328-R375 PolarHBondContact OE1-NH1 3Å; D330-R375 IonicContact OD1-CZ 3.04Å; D330-R375 IonicContact OD1-NE 3.81Å; D330-R375 PolarHBondContact OD1-NE 3.09Å; D330-R375 IonicContact OD1-NH2 2.85Å; D330-R375 PolarHBondContact OD1-NH2 3.5Å; D330-R375 VanDerWaalsContact OD1-NH2 3.1Å; D330-R375 IonicContact OD2-CZ 3.59Å; D330-R375 IonicContact OD2-NE 3.39Å; D330-R375 IonicContact OD2-NH2 3.1Å; D330-R375 PolarHBondContact OD2-NH2 2.85Å; A363-R375 PolarHBondContact O-N 2.91Å; W366-R375 HydrophobicContact CB-CB 3.94Å; W366-R375 HydrophobicContact CB-CG 3.88Å; W366-R375 HydrophobicContact CG-CG 4.41Å
376	P	98.5	Very high	97.1	Very high	5 Å²	5	39.2 Å²	39.2	3%	0.032	22%	0.221	C	C	.	.			trans	-65.8	152.1	177.4	29.2	-35.9	0	0	0	111.1	E329 F412 Y449	E329-P376 HydrophobicContact CB-CG 4.19Å; E329-P376 WeakPolarHBondContact CB-O 3.4Å; E329-P376 PolarHBondContact N-O 3.11Å; P376-F412 WeakPolarHBondContact CG-O 3.23Å; P376-Y449 VanDerWaalsContact CA-OH 3.31Å; P376-Y449 WeakPolarHBondContact CA-OH 3.42Å; P376-Y449 HydrophobicContact CB-CE1 3.94Å
377	T	98.4	Very high	97.2	Very high	22 Å²	22	36.5 Å²	36.5	14%	0.135	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	153	178.9	55.2	0	0	0	0	111.3	D327 E328 S358 S381 Y449	D327-T377 CarbonylContact O-C 3.56Å; D327-T377 VanDerWaalsContact O-CA 3.24Å; D327-T377 WeakPolarHBondContact O-CA 3.43Å; D327-T377 WeakPolarHBondContact O-CB 3.49Å; E328-T377 WeakPolarHBondContact OE2-CG2 3.41Å; S358-T377 PolarHBondContact O-OG1 2.88Å; T377-S381 VanDerWaalsContact O-CB 3.24Å; T377-S381 WeakPolarHBondContact O-CB 3.32Å; T377-S381 PolarHBondContact O-N 3.16Å; T377-S381 PolarHBondContact O-OG 3.36Å; T377-Y449 PolarHBondContact N-OH 3.44Å; T377-Y449 PolarHBondContact OG1-OH 2.85Å
378	F	98.6	Very high	97.3	Very high	1 Å²	1	32.6 Å²	32.6	0%	0.004	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	139.2	176.6	179.7	-93.1	0	0	0	109.2	G326 D327 E329 L332 I337 V340 L344 F416	G326-F378 WeakPolarHBondContact CA-O 3.09Å; D327-F378 PolarHBondContact N-O 3.38Å; D327-F378 PolarHBondContact O-N 2.7Å; E329-F378 HydrophobicContact CB-CB 4.44Å; E329-F378 HydrophobicContact CG-CB 4.42Å; L332-F378 HydrophobicContact CD1-CB 3.92Å; L332-F378 HydrophobicContact CD1-CD1 3.52Å; L332-F378 HydrophobicContact CD1-CE1 4.37Å; L332-F378 HydrophobicContact CD1-CG 4.02Å; I337-F378 HydrophobicContact CD1-CB 4.08Å; I337-F378 HydrophobicContact CD1-CD1 4.29Å; I337-F378 HydrophobicContact CD1-CD2 3.71Å; I337-F378 HydrophobicContact CD1-CE2 4.19Å; I337-F378 HydrophobicContact CD1-CG 3.75Å; I337-F378 HydrophobicContact CG1-CB 4.47Å; I337-F378 HydrophobicContact CG1-CD1 3.76Å; I337-F378 HydrophobicContact CG1-CD2 3.61Å; I337-F378 HydrophobicContact CG1-CE1 3.75Å; I337-F378 HydrophobicContact CG1-CE2 3.62Å; I337-F378 HydrophobicContact CG1-CG 3.67Å; I337-F378 HydrophobicContact CG1-CZ 3.68Å; V340-F378 HydrophobicContact CB-CE1 3.68Å; V340-F378 HydrophobicContact CB-CZ 3.72Å; V340-F378 HydrophobicContact CG1-CE1 3.41Å; V340-F378 VanDerWaalsContact CG1-CE1 3.41Å; V340-F378 HydrophobicContact CG1-CZ 3.47Å; V340-F378 VanDerWaalsContact CG1-CZ 3.47Å; V340-F378 HydrophobicContact CG2-CE1 4.37Å; L344-F378 HydrophobicContact CD1-CZ 4.43Å; F378-F416 AromaticContact CD2-CE2 3.72Å; F378-F416 HydrophobicContact CD2-CE2 3.72Å; F378-F416 HydrophobicContact CD2-CZ 4.39Å; F378-F416 AromaticContact CE2-CE2 3.58Å; F378-F416 HydrophobicContact CE2-CE2 3.58Å; F378-F416 AromaticContact CE2-CZ 3.85Å; F378-F416 HydrophobicContact CE2-CZ 3.85Å
379	P	98.6	Very high	97.6	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	cis	-78.5	-2.2	12.6	-22.6	36.4	0	0	0	118.7	F304 Y325 L344 F356 S381 S382 V385	F304-P379 HydrophobicContact CE1-CG 4.14Å; F304-P379 HydrophobicContact CE2-CG 3.97Å; F304-P379 HydrophobicContact CZ-CG 3.49Å; F304-P379 VanDerWaalsContact CZ-CG 3.49Å; Y325-P379 HydrophobicContact CD1-CG 4.33Å; L344-P379 HydrophobicContact CD1-CB 4.09Å; F356-P379 HydrophobicContact CD1-CB 3.85Å; F356-P379 HydrophobicContact CD1-CG 3.96Å; F356-P379 HydrophobicContact CD2-CB 4.42Å; F356-P379 HydrophobicContact CE1-CB 3.76Å; F356-P379 HydrophobicContact CE1-CG 3.55Å; F356-P379 HydrophobicContact CE2-CB 4.34Å; F356-P379 HydrophobicContact CG-CB 4.17Å; F356-P379 HydrophobicContact CZ-CB 4.02Å; F356-P379 HydrophobicContact CZ-CG 4.02Å; P379-S381 PolarHBondContact O-N 3.2Å; P379-S381 VanDerWaalsContact O-N 3.11Å; P379-S382 VanDerWaalsContact O-CB 3.23Å; P379-S382 WeakPolarHBondContact O-CB 3.45Å; P379-S382 PolarHBondContact O-N 2.78Å; P379-V385 WeakPolarHBondContact O-CG2 3.19Å
380	A	98.7	Very high	98	Very high	1 Å²	1	25.1 Å²	25.1	1%	0.008	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.4	-34.8	-179.8	0	0	0	0	0	113.6	S382 T387 R447 Y449	A380-S382 VanDerWaalsContact C-N 3.33Å; A380-S382 PolarHBondContact O-N 2.83Å; A380-T387 WeakPolarHBondContact CA-OG1 3.18Å; A380-T387 HydrophobicContact CB-CG2 3.72Å; A380-T387 PolarHBondContact O-OG1 3.08Å; A380-R447 PolarHBondContact O-NE 3.03Å; A380-R447 PolarHBondContact O-NH2 2.64Å; A380-Y449 HydrophobicContact CB-CD2 4.33Å; A380-Y449 HydrophobicContact CB-CE2 4.07Å
381	S	98.9	Very high	98.5	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79	-6.7	176.8	69.7	0	0	0	0	115.2	E329 T377 P379 R447	E329-S381 WeakPolarHBondContact OE1-CB 3.36Å; E329-S381 PolarHBondContact OE1-OG 3.44Å; T377-S381 VanDerWaalsContact O-CB 3.24Å; T377-S381 WeakPolarHBondContact O-CB 3.32Å; T377-S381 PolarHBondContact O-N 3.16Å; T377-S381 PolarHBondContact O-OG 3.36Å; P379-S381 PolarHBondContact O-N 3.2Å; P379-S381 VanDerWaalsContact O-N 3.11Å; S381-R447 VanDerWaalsContact O-CD 3.27Å; S381-R447 WeakPolarHBondContact O-CD 3.47Å; S381-R447 VanDerWaalsContact O-CG 3.31Å; S381-R447 WeakPolarHBondContact O-CG 3.47Å
382	S	98.9	Very high	98.6	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	6%	0.06	C	C	.	.			trans	-61.6	136.6	175.7	173.5	0	0	0	0	110.3	N341 L344 P379 A380 Y384 R447	N341-S382 PolarHBondContact OD1-OG 3.35Å; L344-S382 WeakPolarHBondContact CD1-OG 3.47Å; P379-S382 VanDerWaalsContact O-CB 3.23Å; P379-S382 WeakPolarHBondContact O-CB 3.45Å; P379-S382 PolarHBondContact O-N 2.78Å; A380-S382 VanDerWaalsContact C-N 3.33Å; A380-S382 PolarHBondContact O-N 2.83Å; S382-Y384 PolarHBondContact O-N 3.48Å; S382-Y384 PolarHBondContact OG-N 3.13Å; S382-Y384 VanDerWaalsContact OG-N 3.14Å; S382-R447 PolarHBondContact O-NE 2.79Å; S382-R447 VanDerWaalsContact O-NE 3.1Å; S382-R447 PolarHBondContact O-NH2 3.36Å
383	P	98.9	Very high	98.5	Very high	12 Å²	12	10.7 Å²	10.7	8%	0.078	5%	0.051	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	1.5	172.8	30.6	-36.4	0	0	0	113.6	N341 F416 P419 Y421 R447 F502	N341-P383 WeakPolarHBondContact OD1-CD 3.14Å; P383-F416 HydrophobicContact CG-CB 4.36Å; P383-F416 HydrophobicContact CG-CD1 4.48Å; P383-F416 HydrophobicContact CG-CG 4.46Å; P383-P419 HydrophobicContact CB-CB 4.1Å; P383-P419 HydrophobicContact CB-CG 3.94Å; P383-Y421 PolarHBondContact O-OH 3.4Å; P383-Y421 VanDerWaalsContact O-OH 3.12Å; P383-R447 HydrophobicContact CB-CG 4.21Å; P383-F502 WeakPolarHBondContact O-CZ 3.46Å
384	Y	98.9	Very high	98.1	Very high	41 Å²	41	14.2 Å²	14.2	16%	0.161	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.2	17.7	-174.7	-67.2	-72	0	0	0	114	S62 V65 M345 S382 F502	S62-Y384 PolarHBondContact OG-OH 3.46Å; V65-Y384 HydrophobicContact CB-CE1 4.44Å; V65-Y384 HydrophobicContact CG1-CD1 3.9Å; V65-Y384 HydrophobicContact CG1-CE1 3.74Å; M345-Y384 HydrophobicContact CG-CD1 3.8Å; M345-Y384 HydrophobicContact CG-CD2 3.25Å; M345-Y384 HydrophobicContact CG-CE1 3.73Å; M345-Y384 HydrophobicContact CG-CE2 3.17Å; M345-Y384 HydrophobicContact CG-CG 3.57Å; M345-Y384 VanDerWaalsContact CG-CZ 3.41Å; M345-Y384 HydrophobicContact SD-CD2 4.08Å; M345-Y384 HydrophobicContact SD-CE1 4.13Å; M345-Y384 HydrophobicContact SD-CE2 3.34Å; M345-Y384 WeakPolarHBondContact SD-CE2 3.46Å; M345-Y384 PolarHBondContact SD-OH 2.98Å; M345-Y384 VanDerWaalsContact SD-OH 3.35Å; S382-Y384 PolarHBondContact O-N 3.48Å; S382-Y384 PolarHBondContact OG-N 3.13Å; S382-Y384 VanDerWaalsContact OG-N 3.14Å; Y384-F502 HydrophobicContact CD1-CD1 4.49Å; Y384-F502 HydrophobicContact CD1-CE1 4.03Å; Y384-F502 HydrophobicContact CD1-CZ 4.35Å
385	V	98.9	Very high	97.5	Very high	1 Å²	1	17.8 Å²	17.8	1%	0.006	8%	0.084	C	C	.	.	S	Bend	trans	-132.8	153.9	176.6	-58.7	0	0	0	0	110.7	L344 L354 F356 P379 R447 N504	L344-V385 HydrophobicContact CB-CG1 4.28Å; L344-V385 HydrophobicContact CD1-CG1 3.78Å; L344-V385 HydrophobicContact CD2-CG1 3.88Å; L344-V385 HydrophobicContact CG-CG1 4.17Å; L354-V385 HydrophobicContact CB-CG1 4.22Å; F356-V385 HydrophobicContact CD2-CB 3.79Å; F356-V385 HydrophobicContact CD2-CG1 3.65Å; F356-V385 HydrophobicContact CD2-CG2 4.09Å; F356-V385 HydrophobicContact CE2-CB 4.36Å; F356-V385 HydrophobicContact CE2-CG1 3.71Å; P379-V385 WeakPolarHBondContact O-CG2 3.19Å; V385-R447 PolarHBondContact O-NH2 3.27Å; V385-N504 PolarHBondContact O-ND2 3.14Å
386	T	98.9	Very high	96.2	Very high	1 Å²	1	20.4 Å²	20.4	1%	0.006	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	106.9	169.3	-56.1	0	0	0	0	108.9	L354 L355 F356 D451 V452 L503 N504	L354-T386 PolarHBondContact O-N 3.35Å; L355-T386 WeakPolarHBondContact CA-O 3.39Å; F356-T386 PolarHBondContact N-O 3.37Å; F356-T386 VanDerWaalsContact N-O 3.09Å; T386-D451 WeakPolarHBondContact CA-OD2 3.4Å; T386-D451 HydrophobicContact CG2-CB 4.24Å; T386-V452 HydrophobicContact CG2-CG2 3.89Å; T386-L503 HydrophobicContact CG2-CD2 4.5Å; T386-N504 WeakPolarHBondContact CA-OD1 3.37Å; T386-N504 WeakPolarHBondContact CB-OD1 3.33Å; T386-N504 PolarHBondContact OG1-OD1 3.45Å
387	T	98.9	Very high	95.2	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	129.8	-178.5	-62.1	0	0	0	0	110.2	F356 A380 R447 Y449 P450 D451 V452	F356-T387 CarbonylContact O-C 3.58Å; F356-T387 WeakPolarHBondContact O-CA 3.39Å; A380-T387 WeakPolarHBondContact CA-OG1 3.18Å; A380-T387 HydrophobicContact CB-CG2 3.72Å; A380-T387 PolarHBondContact O-OG1 3.08Å; T387-R447 PolarHBondContact OG1-NH2 2.79Å; T387-R447 VanDerWaalsContact OG1-NH2 3.1Å; T387-Y449 HydrophobicContact CG2-CD2 3.7Å; T387-Y449 HydrophobicContact CG2-CE2 4.49Å; T387-Y449 HydrophobicContact CG2-CG 4.27Å; T387-P450 HydrophobicContact CG2-CB 4.06Å; T387-P450 WeakPolarHBondContact O-CB 3.3Å; T387-D451 PolarHBondContact N-OD2 2.76Å; T387-D451 PolarHBondContact O-N 3.07Å; T387-V452 PolarHBondContact O-N 3.2Å
388	V	98.9	Very high	94.6	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	115.1	-171.3	-169.9	0	0	0	0	110.6	L355 F356 S358 V452 T478 F481	L355-V388 HydrophobicContact CB-CG2 4.13Å; L355-V388 HydrophobicContact CD2-CG2 3.83Å; F356-V388 PolarHBondContact O-N 2.9Å; S358-V388 WeakPolarHBondContact CB-O 2.89Å; S358-V388 PolarHBondContact N-O 3.06Å; S358-V388 PolarHBondContact OG-O 3.37Å; V388-V452 CarbonylContact C-O 3.51Å; V388-V452 WeakPolarHBondContact CA-O 3.47Å; V388-V452 HydrophobicContact CB-CG2 4.38Å; V388-V452 HydrophobicContact CG1-CG2 4.28Å; V388-V452 HydrophobicContact CG2-CG2 3.91Å; V388-T478 HydrophobicContact CG2-CG2 4.26Å; V388-F481 HydrophobicContact CG1-CB 4.08Å; V388-F481 HydrophobicContact CG2-CB 4.4Å
389	G	98.9	Very high	94.1	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	-171.6	172.9	0	0	0	0	0	113.9	S358 S408 V452 A454 S477	S358-G389 WeakPolarHBondContact OG-CA 3.25Å; G389-S408 WeakPolarHBondContact CA-OG 3.28Å; G389-V452 PolarHBondContact N-O 2.87Å; G389-A454 PolarHBondContact O-N 3.3Å; G389-S477 WeakPolarHBondContact O-CB 3.29Å; G389-S477 PolarHBondContact O-OG 3.39Å
390	G	98.7	Very high	93.7	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	137.5	-171.9	0	0	0	0	0	113.9	D405 S408 A454 S456	G390-D405 PolarHBondContact O-N 3.41Å; G390-S408 PolarHBondContact N-OG 3.46Å; G390-S408 WeakPolarHBondContact O-CB 3.46Å; G390-A454 CarbonylContact C-O 3.56Å; G390-A454 WeakPolarHBondContact CA-O 3.38Å; G390-S456 WeakPolarHBondContact CA-OG 3.39Å
391	T	98.8	Very high	93.4	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	162.8	172.1	55	0	0	0	0	112	E402 I403 A453 A454 L455 S456 V518 T546 T550	T391-E402 HydrophobicContact CG2-CB 4.22Å; T391-E402 PolarHBondContact OG1-OE1 3.03Å; T391-I403 CarbonylContact C-O 3.52Å; T391-I403 VanDerWaalsContact CA-O 3.22Å; T391-I403 WeakPolarHBondContact CA-O 3.21Å; T391-I403 VanDerWaalsContact CB-O 3.29Å; T391-I403 WeakPolarHBondContact CB-O 3.24Å; T391-A453 HydrophobicContact CG2-CB 4.06Å; T391-A454 PolarHBondContact N-O 3.27Å; T391-A454 PolarHBondContact OG1-O 2.88Å; T391-L455 CarbonylContact O-C 3.11Å; T391-L455 VanDerWaalsContact O-CA 3.3Å; T391-L455 WeakPolarHBondContact O-CA 3.21Å; T391-L455 WeakPolarHBondContact OG1-CA 3.34Å; T391-L455 PolarHBondContact OG1-N 2.7Å; T391-L455 VanDerWaalsContact OG1-N 3.13Å; T391-S456 PolarHBondContact N-OG 3.34Å; T391-S456 PolarHBondContact O-N 3.03Å; T391-S456 PolarHBondContact O-OG 2.93Å; T391-V518 HydrophobicContact CG2-CG1 4.47Å; T391-V518 HydrophobicContact CG2-CG2 3.79Å; T391-T546 HydrophobicContact CG2-CG2 4.12Å; T391-T550 HydrophobicContact CG2-CG2 3.55Å
392	S	97.6	Very high	93.3	Very high	15 Å²	15	37.5 Å²	37.5	11%	0.105	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	165.6	170.6	63.4	0	0	0	0	110	E402 I403	S392-E402 VanDerWaalsContact O-CA 3.31Å; S392-E402 WeakPolarHBondContact O-CA 3.29Å; S392-I403 PolarHBondContact N-O 3.09Å; S392-I403 PolarHBondContact O-N 3.37Å
393	F	96.2	Very high	93.3	Very high	28 Å²	28	39.6 Å²	39.6	12%	0.123	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	143.1	168.7	-65.6	-57.1	0	0	0	110.1	V204 R208 E395 I399 E402 L455	V204-F393 HydrophobicContact CG1-CE2 3.62Å; V204-F393 HydrophobicContact CG1-CZ 3.94Å; R208-F393 HydrophobicContact CB-CE1 4.44Å; R208-F393 HydrophobicContact CB-CZ 4.14Å; R208-F393 HydrophobicContact CG-CE1 3.92Å; R208-F393 HydrophobicContact CG-CZ 4.06Å; F393-E395 VanDerWaalsContact C-N 3.3Å; F393-E395 PolarHBondContact O-N 3.26Å; F393-I399 HydrophobicContact CE1-CB 4.46Å; F393-I399 HydrophobicContact CE1-CG2 3.94Å; F393-I399 HydrophobicContact CE2-CG1 4.38Å; F393-I399 HydrophobicContact CZ-CB 4.25Å; F393-I399 HydrophobicContact CZ-CG1 4.2Å; F393-I399 HydrophobicContact CZ-CG2 3.85Å; F393-E402 HydrophobicContact CD1-CG 4.35Å; F393-E402 HydrophobicContact CE1-CG 4.25Å; F393-L455 HydrophobicContact CD1-CD2 4.34Å; F393-L455 HydrophobicContact CD2-CD2 4.18Å; F393-L455 HydrophobicContact CE1-CD1 4.23Å; F393-L455 HydrophobicContact CE1-CD2 4.16Å; F393-L455 HydrophobicContact CE2-CD1 3.76Å; F393-L455 HydrophobicContact CE2-CD2 4Å; F393-L455 HydrophobicContact CG-CD2 4.35Å; F393-L455 HydrophobicContact CZ-CD1 3.49Å; F393-L455 VanDerWaalsContact CZ-CD1 3.49Å; F393-L455 HydrophobicContact CZ-CD2 4.01Å; F393-L455 HydrophobicContact CZ-CG 4.34Å
394	Q	89.1	Confident	93.3	Very high	120 Å²	120	39.5 Å²	39.5	56%	0.561	20%	0.202	S	C	*	.	S	Bend	trans	-60.9	-40.5	174.2	-173.6	171.7	14.1	0	0	112	I403	Q394-I403 HydrophobicContact CB-CD1 4.42Å; Q394-I403 HydrophobicContact CB-CG2 4.26Å
395	E	85.6	Confident	93.2	Very high	82 Å²	82	37.8 Å²	37.8	38%	0.383	20%	0.196	S	C	.	.	S	Bend	trans	-108.8	123.5	172.9	-58.5	93.4	176.7	0	0	111.6	F393 F397 L398 T400	F393-E395 VanDerWaalsContact C-N 3.3Å; F393-E395 PolarHBondContact O-N 3.26Å; E395-F397 PolarHBondContact O-N 3.11Å; E395-L398 HydrophobicContact CB-CB 4.17Å; E395-L398 PolarHBondContact O-N 3.24Å; E395-L398 VanDerWaalsContact O-N 3.15Å; E395-T400 WeakPolarHBondContact OE2-CB 3.46Å; E395-T400 WeakPolarHBondContact OE2-CG2 3.43Å; E395-T400 PolarHBondContact OE2-OG1 3.39Å
396	P	71.4	Confident	93.2	Very high	99 Å²	99	43.3 Å²	43.3	64%	0.643	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-21.8	-170.6	-29.5	34.6	0	0	0	117.4
397	F	76.6	Confident	93.2	Very high	101 Å²	101	43.9 Å²	43.9	44%	0.443	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-115.5	4.4	-174.7	-53.3	-55.7	0	0	0	113.6	H197 L198 E395	H197-F397 WeakPolarHBondContact O-CD1 3.43Å; L198-F397 HydrophobicContact CD1-CE1 3.69Å; E395-F397 PolarHBondContact O-N 3.11Å
398	L	85.8	Confident	93.2	Very high	104 Å²	104	43.9 Å²	43.9	55%	0.545	22%	0.22	S	C	.	.	S	Bend	trans	-126.9	126.8	-174.8	-168.6	65.1	0	0	0	109.6	E395 T400	E395-L398 HydrophobicContact CB-CB 4.17Å; E395-L398 PolarHBondContact O-N 3.24Å; E395-L398 VanDerWaalsContact O-N 3.15Å; L398-T400 VanDerWaalsContact C-N 3.31Å; L398-T400 HydrophobicContact CB-CG2 3.75Å; L398-T400 HydrophobicContact CD2-CG2 3.28Å; L398-T400 HydrophobicContact CG-CG2 3.28Å; L398-T400 PolarHBondContact O-N 3.29Å
399	I	88.5	Confident	93.2	Very high	56 Å²	56	43.9 Å²	43.9	29%	0.287	22%	0.221	S	C	.	.			trans	-73.5	92.2	172.9	-56.7	177.3	0	0	0	107.1	V204 K207 R208 F393	V204-I399 HydrophobicContact CB-CD1 4.24Å; V204-I399 HydrophobicContact CG1-CD1 4Å; V204-I399 HydrophobicContact CG1-CG1 4.1Å; V204-I399 HydrophobicContact CG2-CD1 4.21Å; K207-I399 HydrophobicContact CB-CD1 4.12Å; K207-I399 HydrophobicContact CD-CD1 3.83Å; K207-I399 HydrophobicContact CG-CD1 4.04Å; R208-I399 HydrophobicContact CB-CG2 3.77Å; R208-I399 HydrophobicContact CG-CG2 4.32Å; F393-I399 HydrophobicContact CE1-CB 4.46Å; F393-I399 HydrophobicContact CE1-CG2 3.94Å; F393-I399 HydrophobicContact CE2-CG1 4.38Å; F393-I399 HydrophobicContact CZ-CB 4.25Å; F393-I399 HydrophobicContact CZ-CG1 4.2Å; F393-I399 HydrophobicContact CZ-CG2 3.85Å
400	T	89.8	Confident	93.2	Very high	30 Å²	30	44 Å²	44	18%	0.184	22%	0.221	C	C	.	.			trans	-118.4	-148.4	179.3	71.8	0	0	0	0	110.9	R208 E395 L398	R208-T400 VanDerWaalsContact CZ-O 3.29Å; R208-T400 PolarHBondContact NH1-O 3.08Å; E395-T400 WeakPolarHBondContact OE2-CB 3.46Å; E395-T400 WeakPolarHBondContact OE2-CG2 3.43Å; E395-T400 PolarHBondContact OE2-OG1 3.39Å; L398-T400 VanDerWaalsContact C-N 3.31Å; L398-T400 HydrophobicContact CB-CG2 3.75Å; L398-T400 HydrophobicContact CD2-CG2 3.28Å; L398-T400 HydrophobicContact CG-CG2 3.28Å; L398-T400 PolarHBondContact O-N 3.29Å
401	N	92.6	Very high	93.2	Very high	93 Å²	93	44 Å²	44	50%	0.497	22%	0.222	S	C	.	.			trans	-67.3	147.4	172.6	-72	-15.5	0	0	0	110.2	F516	N401-F516 HydrophobicContact CB-CZ 4.07Å
402	E	97.6	Very high	93.2	Very high	5 Å²	5	44.3 Å²	44.3	2%	0.023	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	137.3	173.3	-77.2	167.8	108.1	0	0	109.5	R208 Y209 T391 S392 F393 L455 F516 V518 T550	R208-E402 IonicContact CZ-OE2 3.85Å; R208-E402 VanDerWaalsContact CZ-OE2 3.22Å; R208-E402 IonicContact NE-OE2 3.09Å; R208-E402 PolarHBondContact NE-OE2 3.45Å; R208-E402 IonicContact NH2-OE2 2.79Å; R208-E402 PolarHBondContact NH2-OE2 3.47Å; Y209-E402 WeakPolarHBondContact CE1-OE1 3.44Å; Y209-E402 WeakPolarHBondContact CE1-OE2 3.34Å; Y209-E402 PolarHBondContact OH-OE1 2.55Å; T391-E402 HydrophobicContact CG2-CB 4.22Å; T391-E402 PolarHBondContact OG1-OE1 3.03Å; S392-E402 VanDerWaalsContact O-CA 3.31Å; S392-E402 WeakPolarHBondContact O-CA 3.29Å; F393-E402 HydrophobicContact CD1-CG 4.35Å; F393-E402 HydrophobicContact CE1-CG 4.25Å; E402-L455 HydrophobicContact CG-CD2 4.2Å; E402-F516 HydrophobicContact CB-CD1 4.43Å; E402-F516 HydrophobicContact CB-CE1 4.09Å; E402-V518 HydrophobicContact CB-CG2 4.4Å; E402-T550 WeakPolarHBondContact OE1-CG2 3.29Å; E402-T550 WeakPolarHBondContact OE2-CB 3.37Å; E402-T550 PolarHBondContact OE2-OG1 3.25Å
403	I	98.3	Very high	93.2	Very high	43 Å²	43	43.6 Å²	43.6	22%	0.221	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	169.4	170.7	62.3	171.1	0	0	0	108.8	T391 S392 Q394 D405 H520	T391-I403 CarbonylContact C-O 3.52Å; T391-I403 VanDerWaalsContact CA-O 3.22Å; T391-I403 WeakPolarHBondContact CA-O 3.21Å; T391-I403 VanDerWaalsContact CB-O 3.29Å; T391-I403 WeakPolarHBondContact CB-O 3.24Å; S392-I403 PolarHBondContact N-O 3.09Å; S392-I403 PolarHBondContact O-N 3.37Å; Q394-I403 HydrophobicContact CB-CD1 4.42Å; Q394-I403 HydrophobicContact CB-CG2 4.26Å; I403-D405 PolarHBondContact O-N 2.88Å; I403-H520 HydrophobicContact CG2-CB 4.05Å
404	V	98.7	Very high	93.4	Very high	10 Å²	10	45.6 Å²	45.6	6%	0.061	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.1	129.4	172	170.1	0	0	0	0	110.2	V518 H520 H523 S538 V545 T546	V404-V518 HydrophobicContact CG2-CG1 4.28Å; V404-H520 PolarHBondContact N-O 2.93Å; V404-H523 HydrophobicContact CG1-CB 4.48Å; V404-S538 WeakPolarHBondContact CG2-OG 3.36Å; V404-V545 HydrophobicContact CB-CG1 4.23Å; V404-V545 HydrophobicContact CG1-CG1 3.47Å; V404-V545 VanDerWaalsContact CG1-CG1 3.47Å; V404-V545 HydrophobicContact CG2-CB 4.38Å; V404-V545 HydrophobicContact CG2-CG1 3.69Å; V404-T546 HydrophobicContact CG2-CG2 3.94Å
405	D	98.4	Very high	93.8	Very high	5 Å²	5	42.6 Å²	42.6	3%	0.027	22%	0.22	C	C	.	.			trans	-80.1	125.7	157.4	-174.2	1.5	0	0	0	108.2	G390 I403 I407 S408 S456	G390-D405 PolarHBondContact O-N 3.41Å; I403-D405 PolarHBondContact O-N 2.88Å; D405-I407 PolarHBondContact O-N 3.45Å; D405-I407 WeakPolarHBondContact OD2-CD1 3.48Å; D405-I407 WeakPolarHBondContact OD2-CG1 3.24Å; D405-S408 WeakPolarHBondContact O-CB 3.15Å; D405-S408 PolarHBondContact O-N 3.11Å; D405-S456 WeakPolarHBondContact CB-OG 3.43Å; D405-S456 PolarHBondContact OD2-OG 2.68Å
406	Y	98.2	Very high	94.4	Very high	118 Å²	118	39.1 Å²	39.1	46%	0.463	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-19	-169.8	73	-84.9	0	0	0	113.1	R183 S408 H523 A524	R183-Y406 PolarHBondContact NH2-OH 3.27Å; Y406-S408 VanDerWaalsContact C-N 3.33Å; Y406-H523 CarbonylContact O-C 3.37Å; Y406-H523 WeakPolarHBondContact O-CA 3.26Å; Y406-H523 WeakPolarHBondContact O-CB 3.29Å; Y406-A524 HydrophobicContact CD2-CB 4.17Å; Y406-A524 PolarHBondContact O-N 3.31Å
407	I	98.2	Very high	95.8	Very high	12 Å²	12	39 Å²	39	6%	0.062	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-15	175.9	65.9	178.3	0	0	0	113.2	D360 S361 G362 D405 G409	D360-I407 CarbonylContact C-O 3.52Å; D360-I407 VanDerWaalsContact CA-O 3.23Å; D360-I407 WeakPolarHBondContact CA-O 3.2Å; D360-I407 HydrophobicContact CB-CB 4.48Å; D360-I407 HydrophobicContact CB-CD1 4.46Å; S361-I407 PolarHBondContact N-O 2.7Å; S361-I407 VanDerWaalsContact N-O 3.16Å; G362-I407 PolarHBondContact N-O 3.5Å; D405-I407 PolarHBondContact O-N 3.45Å; D405-I407 WeakPolarHBondContact OD2-CD1 3.48Å; D405-I407 WeakPolarHBondContact OD2-CG1 3.24Å; I407-G409 PolarHBondContact O-N 3.43Å
408	S	98.8	Very high	96.8	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.192	C	C	.	.			trans	-53	112.3	-172.1	-176	0	0	0	0	112.2	G362 G389 G390 D405 Y406 H523 V545	G362-S408 WeakPolarHBondContact CA-O 3.48Å; G389-S408 WeakPolarHBondContact CA-OG 3.28Å; G390-S408 PolarHBondContact N-OG 3.46Å; G390-S408 WeakPolarHBondContact O-CB 3.46Å; D405-S408 WeakPolarHBondContact O-CB 3.15Å; D405-S408 PolarHBondContact O-N 3.11Å; Y406-S408 VanDerWaalsContact C-N 3.33Å; S408-H523 WeakPolarHBondContact O-CB 3.33Å; S408-H523 PolarHBondContact O-ND1 2.77Å; S408-V545 PolarHBondContact OG-O 2.8Å
409	G	98.8	Very high	97.4	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.01	17%	0.172	C	C	.	.			trans	-60.8	139.7	178	0	0	0	0	0	111.8	S358 G359 G362 I407	S358-G409 WeakPolarHBondContact CB-O 3.36Å; S358-G409 VanDerWaalsContact OG-C 3.29Å; S358-G409 VanDerWaalsContact OG-CA 3.26Å; S358-G409 WeakPolarHBondContact OG-CA 3.33Å; S358-G409 PolarHBondContact OG-N 3.02Å; S358-G409 VanDerWaalsContact OG-N 3.13Å; S358-G409 PolarHBondContact OG-O 3.25Å; G359-G409 VanDerWaalsContact O-CA 3.31Å; G359-G409 WeakPolarHBondContact O-CA 3.42Å; G359-G409 PolarHBondContact O-N 2.87Å; G362-G409 VanDerWaalsContact O-CA 3.31Å; G362-G409 WeakPolarHBondContact O-CA 3.36Å; I407-G409 PolarHBondContact O-N 3.43Å
410	G	98.8	Very high	97.9	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.01	19%	0.188	C	C	.	.			trans	-176.3	161.7	-178.9	0	0	0	0	0	112.7	G362 A363 Y449 H523 P544	G362-G410 PolarHBondContact O-N 3.23Å; A363-G410 WeakPolarHBondContact CA-O 3.35Å; G410-Y449 VanDerWaalsContact CA-CE2 3.43Å; G410-Y449 WeakPolarHBondContact CA-O 3.48Å; G410-H523 PolarHBondContact O-CE1 2.84Å; G410-P544 CarbonylContact C-O 3.55Å; G410-P544 VanDerWaalsContact CA-O 3.24Å; G410-P544 WeakPolarHBondContact CA-O 3.28Å
411	G	98.8	Very high	98.3	Very high	2 Å²	2	34.4 Å²	34.4	2%	0.021	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	144.4	-151.4	177.7	0	0	0	0	0	112.7	A448 Y449 P544	G411-A448 CarbonylContact O-C 3.47Å; G411-A448 WeakPolarHBondContact O-CA 3.47Å; G411-Y449 PolarHBondContact N-O 3.49Å; G411-Y449 WeakPolarHBondContact O-CD1 3.16Å; G411-Y449 PolarHBondContact O-N 2.79Å; G411-P544 PolarHBondContact N-O 2.91Å
412	F	98.9	Very high	98.6	Very high	6 Å²	6	30 Å²	30	3%	0.026	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	130.5	-171.8	-65.4	-109.9	0	0	0	110.6	P376 V426 F429 L430 F442 N443 R447 A448 F536 P544	P376-F412 WeakPolarHBondContact CG-O 3.23Å; F412-V426 HydrophobicContact CE1-CG1 3.66Å; F412-V426 HydrophobicContact CZ-CG1 4.23Å; F412-F429 HydrophobicContact CE2-CE1 4.45Å; F412-F429 HydrophobicContact CZ-CD1 4.33Å; F412-F429 HydrophobicContact CZ-CE1 4.32Å; F412-L430 HydrophobicContact CE1-CD1 4.34Å; F412-L430 HydrophobicContact CE1-CD2 4.33Å; F412-L430 HydrophobicContact CZ-CD2 3.86Å; F412-L430 HydrophobicContact CZ-CG 4.37Å; F412-F442 HydrophobicContact CB-CD2 4.43Å; F412-F442 HydrophobicContact CD1-CD2 4.45Å; F412-F442 AromaticContact CD2-CD2 3.61Å; F412-F442 HydrophobicContact CD2-CD2 3.61Å; F412-F442 HydrophobicContact CD2-CE2 4.21Å; F412-F442 HydrophobicContact CD2-CG 4.4Å; F412-F442 AromaticContact CE2-CD2 3.93Å; F412-F442 HydrophobicContact CE2-CD2 3.93Å; F412-F442 HydrophobicContact CE2-CE2 4.06Å; F412-F442 AromaticContact CG-CD2 3.94Å; F412-F442 HydrophobicContact CG-CD2 3.94Å; F412-F442 HydrophobicContact CZ-CD2 4.47Å; F412-F442 HydrophobicContact CZ-CE2 4.28Å; F412-N443 WeakPolarHBondContact CB-O 3.48Å; F412-R447 WeakPolarHBondContact CA-O 3.44Å; F412-A448 HydrophobicContact CD1-CB 3.47Å; F412-A448 VanDerWaalsContact CD1-CB 3.47Å; F412-A448 HydrophobicContact CD2-CB 4.38Å; F412-A448 HydrophobicContact CE1-CB 3.4Å; F412-A448 HydrophobicContact CE2-CB 4.3Å; F412-A448 HydrophobicContact CG-CB 3.98Å; F412-A448 HydrophobicContact CZ-CB 3.82Å; F412-F536 HydrophobicContact CD2-CE1 4.15Å; F412-F536 AromaticContact CD2-CE2 3.99Å; F412-F536 HydrophobicContact CD2-CE2 3.99Å; F412-F536 AromaticContact CD2-CZ 3.51Å; F412-F536 HydrophobicContact CD2-CZ 3.51Å; F412-F536 HydrophobicContact CE2-CD1 4.46Å; F412-F536 AromaticContact CE2-CE1 3.72Å; F412-F536 HydrophobicContact CE2-CE1 3.72Å; F412-F536 HydrophobicContact CE2-CE2 4.18Å; F412-F536 AromaticContact CE2-CZ 3.56Å; F412-F536 HydrophobicContact CE2-CZ 3.56Å; F412-P544 HydrophobicContact CE2-CB 4.07Å; F412-P544 HydrophobicContact CE2-CG 4.1Å
413	S	98.9	Very high	98.7	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.3	142.8	174.8	-176.5	0	0	0	0	112	E329 V415 F416 N443 G446 R447	E329-S413 VanDerWaalsContact CD-OG 3.28Å; E329-S413 WeakPolarHBondContact OE1-CB 3.42Å; E329-S413 PolarHBondContact OE1-OG 2.82Å; E329-S413 PolarHBondContact OE2-OG 3.36Å; S413-V415 PolarHBondContact OG-N 3.21Å; S413-F416 PolarHBondContact OG-N 3.1Å; S413-N443 PolarHBondContact O-ND2 3.46Å; S413-G446 WeakPolarHBondContact O-CA 3.25Å; S413-R447 PolarHBondContact N-O 2.98Å
414	N	98.8	Very high	98.7	Very high	70 Å²	70	38.1 Å²	38.1	37%	0.374	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	-7.4	166.9	-69.6	-55.7	0	0	0	112.6	E329 N443	E329-N414 PolarHBondContact OE2-N 2.9Å; N414-N443 WeakPolarHBondContact OD1-CB 3.26Å
415	V	98.8	Very high	98.7	Very high	57 Å²	57	38 Å²	38	35%	0.345	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	-51.4	-173.2	177	0	0	0	0	112.3	E329 I337 S413	E329-V415 HydrophobicContact CG-CB 4.41Å; E329-V415 HydrophobicContact CG-CG2 3.77Å; E329-V415 PolarHBondContact OE2-N 2.69Å; I337-V415 HydrophobicContact CD1-CB 4.39Å; I337-V415 HydrophobicContact CD1-CG1 4.32Å; I337-V415 HydrophobicContact CD1-CG2 4.17Å; I337-V415 HydrophobicContact CG2-CG1 4.1Å; S413-V415 PolarHBondContact OG-N 3.21Å
416	F	98.9	Very high	98.7	Very high	8 Å²	8	37.8 Å²	37.8	4%	0.035	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	128.1	-173.2	-59.1	-71	0	0	0	110.3	I337 N341 F378 P383 S413 G446 R447	I337-F416 HydrophobicContact CD1-CE2 3.78Å; I337-F416 HydrophobicContact CD1-CZ 4.15Å; I337-F416 HydrophobicContact CG1-CE2 3.98Å; I337-F416 HydrophobicContact CG1-CZ 3.91Å; N341-F416 HydrophobicContact CB-CE1 3.72Å; N341-F416 HydrophobicContact CB-CZ 3.7Å; F378-F416 AromaticContact CD2-CE2 3.72Å; F378-F416 HydrophobicContact CD2-CE2 3.72Å; F378-F416 HydrophobicContact CD2-CZ 4.39Å; F378-F416 AromaticContact CE2-CE2 3.58Å; F378-F416 HydrophobicContact CE2-CE2 3.58Å; F378-F416 AromaticContact CE2-CZ 3.85Å; F378-F416 HydrophobicContact CE2-CZ 3.85Å; P383-F416 HydrophobicContact CG-CB 4.36Å; P383-F416 HydrophobicContact CG-CD1 4.48Å; P383-F416 HydrophobicContact CG-CG 4.46Å; S413-F416 PolarHBondContact OG-N 3.1Å; F416-G446 CarbonylContact O-C 3.52Å; F416-G446 VanDerWaalsContact O-CA 3.28Å; F416-G446 WeakPolarHBondContact O-CA 3.31Å; F416-R447 HydrophobicContact CB-CB 4.18Å; F416-R447 PolarHBondContact O-N 2.7Å
417	P	98.8	Very high	98.8	Very high	97 Å²	97	34.1 Å²	34.1	63%	0.63	19%	0.192	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-65.1	156.9	174.9	29.7	-35.1	0	0	0	110.3	P419	P417-P419 WeakPolarHBondContact O-CD 3.41Å
418	R	98.9	Very high	98.8	Very high	55 Å²	55	39.3 Å²	39.3	21%	0.208	21%	0.214	C	C	.	.	P	Polyproline II helix	trans	-55.3	120.9	173.9	-179.3	160.9	61	-119.6	6.3	110.4	Q422 E423 A444 S445	R418-Q422 HydrophobicContact CG-CG 3.67Å; R418-E423 IonicContact CZ-OE1 3.98Å; R418-E423 IonicContact CZ-OE2 3.28Å; R418-E423 IonicContact NE-OE1 3.54Å; R418-E423 IonicContact NE-OE2 3.36Å; R418-E423 PolarHBondContact NE-OE2 3.03Å; R418-E423 IonicContact NH2-OE1 2.91Å; R418-E423 PolarHBondContact NH2-OE1 3.01Å; R418-E423 IonicContact NH2-OE2 2.7Å; R418-E423 PolarHBondContact NH2-OE2 3.17Å; R418-A444 PolarHBondContact NH1-O 3.47Å; R418-S445 WeakPolarHBondContact CB-O 3.08Å; R418-S445 PolarHBondContact N-O 2.83Å
419	P	98.8	Very high	98.8	Very high	20 Å²	20	39.8 Å²	39.8	13%	0.13	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-70.3	147.8	176	26.3	-30.9	0	0	0	110.6	P383 P417 Y421 Q422 R447	P383-P419 HydrophobicContact CB-CB 4.1Å; P383-P419 HydrophobicContact CB-CG 3.94Å; P417-P419 WeakPolarHBondContact O-CD 3.41Å; P419-Y421 HydrophobicContact CB-CD1 3.76Å; P419-Y421 HydrophobicContact CB-CE1 3.42Å; P419-Y421 VanDerWaalsContact CB-CE1 3.42Å; P419-Y421 HydrophobicContact CB-CE2 4.41Å; P419-Y421 HydrophobicContact CB-CG 4.39Å; P419-Y421 HydrophobicContact CG-CD1 4.16Å; P419-Y421 HydrophobicContact CG-CD2 4.4Å; P419-Y421 HydrophobicContact CG-CE1 3.51Å; P419-Y421 HydrophobicContact CG-CE2 3.76Å; P419-Y421 WeakPolarHBondContact CG-OH 3.45Å; P419-Y421 PolarHBondContact O-N 3Å; P419-Y421 VanDerWaalsContact O-N 3.15Å; P419-Q422 HydrophobicContact CG-CG 3.84Å; P419-Q422 WeakPolarHBondContact O-CG 3.26Å; P419-Q422 PolarHBondContact O-N 3.37Å; P419-Q422 VanDerWaalsContact O-N 3.1Å; P419-R447 HydrophobicContact CG-CG 4.41Å
420	S	98.6	Very high	98.8	Very high	90 Å²	90	41.8 Å²	41.8	63%	0.629	23%	0.226	S	C	*	.	G	3₁₀ helix	trans	-58.6	-31.2	-175.2	55.4	0	0	0	0	113.5	Q422 E423	S420-Q422 PolarHBondContact O-N 3.18Å; S420-E423 PolarHBondContact O-N 3.39Å
421	Y	98.8	Very high	98.8	Very high	29 Å²	29	46.5 Å²	46.5	11%	0.114	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-63.4	-22.4	-179.7	65.3	-112.5	0	0	0	113.4	P383 P419 F502 N504 P505 Y508	P383-Y421 PolarHBondContact O-OH 3.4Å; P383-Y421 VanDerWaalsContact O-OH 3.12Å; P419-Y421 HydrophobicContact CB-CD1 3.76Å; P419-Y421 HydrophobicContact CB-CE1 3.42Å; P419-Y421 VanDerWaalsContact CB-CE1 3.42Å; P419-Y421 HydrophobicContact CB-CE2 4.41Å; P419-Y421 HydrophobicContact CB-CG 4.39Å; P419-Y421 HydrophobicContact CG-CD1 4.16Å; P419-Y421 HydrophobicContact CG-CD2 4.4Å; P419-Y421 HydrophobicContact CG-CE1 3.51Å; P419-Y421 HydrophobicContact CG-CE2 3.76Å; P419-Y421 WeakPolarHBondContact CG-OH 3.45Å; P419-Y421 PolarHBondContact O-N 3Å; P419-Y421 VanDerWaalsContact O-N 3.15Å; Y421-F502 HydrophobicContact CE1-CE1 4.37Å; Y421-F502 AromaticContact CE1-CZ 3.83Å; Y421-F502 HydrophobicContact CE1-CZ 3.83Å; Y421-N504 HydrophobicContact CD2-CB 4.22Å; Y421-N504 HydrophobicContact CE1-CB 4.22Å; Y421-N504 HydrophobicContact CE2-CB 3.74Å; Y421-N504 PolarHBondContact OH-ND2 3.05Å; Y421-P505 HydrophobicContact CD1-CG 4.05Å; Y421-P505 HydrophobicContact CG-CG 4.46Å; Y421-Y508 AromaticContact CD2-CD2 3.66Å; Y421-Y508 HydrophobicContact CD2-CD2 3.66Å; Y421-Y508 HydrophobicContact CD2-CE2 4.07Å; Y421-Y508 AromaticContact CD2-CG 3.92Å; Y421-Y508 HydrophobicContact CD2-CG 3.92Å; Y421-Y508 AromaticContact CE2-CD2 3.88Å; Y421-Y508 HydrophobicContact CE2-CD2 3.88Å; Y421-Y508 AromaticContact CE2-CE2 3.82Å; Y421-Y508 HydrophobicContact CE2-CE2 3.82Å; Y421-Y508 HydrophobicContact CE2-CG 4.49Å; Y421-Y508 WeakPolarHBondContact O-CB 3.11Å
422	Q	98.8	Very high	98.7	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-110.6	8.5	-179.1	73	-176.3	45.3	0	0	113.8	R418 P419 S420 E424 A425 V426 A448 Y508	R418-Q422 HydrophobicContact CG-CG 3.67Å; P419-Q422 HydrophobicContact CG-CG 3.84Å; P419-Q422 WeakPolarHBondContact O-CG 3.26Å; P419-Q422 PolarHBondContact O-N 3.37Å; P419-Q422 VanDerWaalsContact O-N 3.1Å; S420-Q422 PolarHBondContact O-N 3.18Å; Q422-E424 PolarHBondContact O-N 3.3Å; Q422-A425 PolarHBondContact O-N 2.7Å; Q422-V426 HydrophobicContact CB-CG2 4.24Å; Q422-V426 HydrophobicContact CG-CG2 3.92Å; Q422-V426 WeakPolarHBondContact O-CB 3.44Å; Q422-V426 WeakPolarHBondContact O-CG2 3.42Å; Q422-V426 PolarHBondContact O-N 3.07Å; Q422-A448 PolarHBondContact NE2-O 3.33Å; Q422-A448 VanDerWaalsContact NE2-O 3.17Å; Q422-A448 PolarHBondContact OE1-O 3.5Å; Q422-Y508 HydrophobicContact CB-CD1 3.59Å; Q422-Y508 HydrophobicContact CB-CE1 3.36Å; Q422-Y508 HydrophobicContact CB-CE2 4.42Å; Q422-Y508 HydrophobicContact CB-CG 4.24Å
423	E	98.8	Very high	98.7	Very high	85 Å²	85	50.7 Å²	50.7	40%	0.397	29%	0.289	S	S	.	.	H	α-helix	trans	-55.2	-51.3	-176.9	-176.2	60.3	-146	0	0	111.6	R418 S420 A427	R418-E423 IonicContact CZ-OE1 3.98Å; R418-E423 IonicContact CZ-OE2 3.28Å; R418-E423 IonicContact NE-OE1 3.54Å; R418-E423 IonicContact NE-OE2 3.36Å; R418-E423 PolarHBondContact NE-OE2 3.03Å; R418-E423 IonicContact NH2-OE1 2.91Å; R418-E423 PolarHBondContact NH2-OE1 3.01Å; R418-E423 IonicContact NH2-OE2 2.7Å; R418-E423 PolarHBondContact NH2-OE2 3.17Å; S420-E423 PolarHBondContact O-N 3.39Å; E423-A427 WeakPolarHBondContact O-CB 3.35Å; E423-A427 PolarHBondContact O-N 3.27Å
424	E	98.8	Very high	98.6	Very high	134 Å²	134	55.9 Å²	55.9	63%	0.626	32%	0.322	S	S	*	.	H	α-helix	trans	-61.5	-48.1	-178.9	-177.2	-179.9	163.5	0	0	112.1	Q422 V426 A427 K428 H511	Q422-E424 PolarHBondContact O-N 3.3Å; E424-V426 PolarHBondContact O-N 3.44Å; E424-A427 PolarHBondContact O-N 2.9Å; E424-K428 VanDerWaalsContact O-CB 3.26Å; E424-K428 WeakPolarHBondContact O-CB 3.19Å; E424-K428 PolarHBondContact O-N 3.41Å; E424-H511 IonicContact OE1-NE2 3.02Å; E424-H511 IonicContact OE2-NE2 2.8Å
425	A	98.9	Very high	98.4	Very high	9 Å²	9	58.1 Å²	58.1	7%	0.074	33%	0.33	C	S	.	.	H	α-helix	trans	-61.2	-47	-177.6	0	0	0	0	0	112	Q422 F429 Y508 W542 W548	Q422-A425 PolarHBondContact O-N 2.7Å; A425-F429 PolarHBondContact O-N 3.21Å; A425-Y508 HydrophobicContact CB-CD1 3.71Å; A425-Y508 HydrophobicContact CB-CE1 3.72Å; A425-W542 HydrophobicContact CB-CB 3.87Å; A425-W542 HydrophobicContact CB-CD2 4.35Å; A425-W542 HydrophobicContact CB-CG 4.05Å; A425-W548 HydrophobicContact CB-CH2 4.18Å; A425-W548 HydrophobicContact CB-CZ2 3.74Å
426	V	98.9	Very high	98.4	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-72.2	-42.5	-179.2	176.6	0	0	0	0	111.4	F412 Q422 E424 K428 F429 L430 A448 W542	F412-V426 HydrophobicContact CE1-CG1 3.66Å; F412-V426 HydrophobicContact CZ-CG1 4.23Å; Q422-V426 HydrophobicContact CB-CG2 4.24Å; Q422-V426 HydrophobicContact CG-CG2 3.92Å; Q422-V426 WeakPolarHBondContact O-CB 3.44Å; Q422-V426 WeakPolarHBondContact O-CG2 3.42Å; Q422-V426 PolarHBondContact O-N 3.07Å; E424-V426 PolarHBondContact O-N 3.44Å; V426-K428 VanDerWaalsContact C-N 3.27Å; V426-K428 PolarHBondContact O-N 3.13Å; V426-F429 PolarHBondContact O-N 2.73Å; V426-L430 HydrophobicContact CG1-CD1 3.82Å; V426-L430 HydrophobicContact CG1-CG 4.16Å; V426-L430 WeakPolarHBondContact O-CB 3.2Å; V426-L430 WeakPolarHBondContact O-CG 3.33Å; V426-L430 PolarHBondContact O-N 2.68Å; V426-A448 HydrophobicContact CG1-CB 4.4Å; V426-A448 HydrophobicContact CG2-CB 3.83Å; V426-W542 HydrophobicContact CB-CZ3 4.31Å; V426-W542 HydrophobicContact CG2-CE3 4.17Å; V426-W542 HydrophobicContact CG2-CH2 3.9Å; V426-W542 HydrophobicContact CG2-CZ2 4.41Å; V426-W542 HydrophobicContact CG2-CZ3 3.74Å
427	A	98.8	Very high	98.4	Very high	41 Å²	41	59.1 Å²	59.1	34%	0.339	34%	0.335	S	S	.	.	H	α-helix	trans	-60.3	-41.3	176.6	0	0	0	0	0	111	E423 E424 S431	E423-A427 WeakPolarHBondContact O-CB 3.35Å; E423-A427 PolarHBondContact O-N 3.27Å; E424-A427 PolarHBondContact O-N 2.9Å; A427-S431 VanDerWaalsContact O-CB 3.31Å; A427-S431 WeakPolarHBondContact O-CB 3.41Å; A427-S431 PolarHBondContact O-N 2.79Å; A427-S431 PolarHBondContact O-OG 3.4Å
428	K	98.8	Very high	98.4	Very high	121 Å²	121	56.5 Å²	56.5	53%	0.526	32%	0.318	S	S	.	.	H	α-helix	trans	-58.6	-56	173.1	-174.5	176.9	177.2	-175.2	0	110.7	E424 V426 L430 S431 S432	E424-K428 VanDerWaalsContact O-CB 3.26Å; E424-K428 WeakPolarHBondContact O-CB 3.19Å; E424-K428 PolarHBondContact O-N 3.41Å; V426-K428 VanDerWaalsContact C-N 3.27Å; V426-K428 PolarHBondContact O-N 3.13Å; K428-L430 PolarHBondContact O-N 2.79Å; K428-S431 PolarHBondContact O-N 2.74Å; K428-S431 PolarHBondContact O-OG 2.94Å; K428-S432 WeakPolarHBondContact O-CB 3.41Å; K428-S432 PolarHBondContact O-N 2.9Å; K428-S432 PolarHBondContact O-OG 3.35Å
429	F	98.8	Very high	98.3	Very high	10 Å²	10	58.9 Å²	58.9	4%	0.044	34%	0.343	C	S	.	.	H	α-helix	trans	-52.4	-51	178.2	170.8	-97.9	0	0	0	112.9	F412 A425 V426 S431 S432 S433 L436 F536 W542 D543 P544	F412-F429 HydrophobicContact CE2-CE1 4.45Å; F412-F429 HydrophobicContact CZ-CD1 4.33Å; F412-F429 HydrophobicContact CZ-CE1 4.32Å; A425-F429 PolarHBondContact O-N 3.21Å; V426-F429 PolarHBondContact O-N 2.73Å; F429-S431 PolarHBondContact O-N 3.32Å; F429-S432 PolarHBondContact O-N 2.55Å; F429-S433 WeakPolarHBondContact O-CB 3.38Å; F429-S433 PolarHBondContact O-N 3.13Å; F429-L436 HydrophobicContact CD1-CD2 4.43Å; F429-L436 HydrophobicContact CE1-CD2 3.66Å; F429-L436 HydrophobicContact CZ-CD2 3.97Å; F429-F536 HydrophobicContact CE1-CD1 4.13Å; F429-F536 AromaticContact CZ-CD1 3.98Å; F429-F536 HydrophobicContact CZ-CD1 3.98Å; F429-W542 HydrophobicContact CB-CE3 3.94Å; F429-W542 HydrophobicContact CB-CZ3 3.93Å; F429-W542 HydrophobicContact CD1-CZ3 4.18Å; F429-W542 HydrophobicContact CG-CE3 4.4Å; F429-W542 HydrophobicContact CG-CZ3 4.05Å; F429-D543 HydrophobicContact CD2-CB 4.1Å; F429-D543 HydrophobicContact CE2-CB 4.12Å; F429-P544 HydrophobicContact CD1-CG 4.28Å; F429-P544 HydrophobicContact CE1-CG 3.6Å; F429-P544 HydrophobicContact CE2-CG 4.08Å; F429-P544 HydrophobicContact CZ-CG 3.49Å; F429-P544 VanDerWaalsContact CZ-CG 3.49Å
430	L	98.7	Very high	98.3	Very high	42 Å²	42	60.8 Å²	60.8	22%	0.22	36%	0.356	C	S	.	.	H	α-helix	trans	-65.8	-24.2	-179	-68.2	176.2	0	0	0	113.2	F412 V426 K428 L436 F442 A444	F412-L430 HydrophobicContact CE1-CD1 4.34Å; F412-L430 HydrophobicContact CE1-CD2 4.33Å; F412-L430 HydrophobicContact CZ-CD2 3.86Å; F412-L430 HydrophobicContact CZ-CG 4.37Å; V426-L430 HydrophobicContact CG1-CD1 3.82Å; V426-L430 HydrophobicContact CG1-CG 4.16Å; V426-L430 WeakPolarHBondContact O-CB 3.2Å; V426-L430 WeakPolarHBondContact O-CG 3.33Å; V426-L430 PolarHBondContact O-N 2.68Å; K428-L430 PolarHBondContact O-N 2.79Å; L430-L436 HydrophobicContact CD2-CD2 4.09Å; L430-L436 WeakPolarHBondContact O-CD1 3.18Å; L430-F442 HydrophobicContact CD2-CE2 3.82Å; L430-F442 HydrophobicContact CD2-CZ 4.03Å; L430-A444 HydrophobicContact CD1-CB 4.07Å
431	S	98.4	Very high	98.3	Very high	101 Å²	101	56.8 Å²	56.8	71%	0.706	33%	0.328	S	S	*	.	H	α-helix	trans	-91.9	-24.1	177.6	69.9	0	0	0	0	113.8	A427 K428 F429	A427-S431 VanDerWaalsContact O-CB 3.31Å; A427-S431 WeakPolarHBondContact O-CB 3.41Å; A427-S431 PolarHBondContact O-N 2.79Å; A427-S431 PolarHBondContact O-OG 3.4Å; K428-S431 PolarHBondContact O-N 2.74Å; K428-S431 PolarHBondContact O-OG 2.94Å; F429-S431 PolarHBondContact O-N 3.32Å
432	S	97.6	Very high	98.3	Very high	72 Å²	72	56.7 Å²	56.7	50%	0.503	33%	0.328	S	S	.	.	H	α-helix	trans	-112.9	-18.3	-170.9	70	0	0	0	0	115.1	K428 F429 P434	K428-S432 WeakPolarHBondContact O-CB 3.41Å; K428-S432 PolarHBondContact O-N 2.9Å; K428-S432 PolarHBondContact O-OG 3.35Å; F429-S432 PolarHBondContact O-N 2.55Å; S432-P434 WeakPolarHBondContact O-CD 3.31Å
433	S	97.6	Very high	98.2	Very high	23 Å²	23	59 Å²	59	16%	0.161	34%	0.34	C	S	.	.			trans	-67	122.6	-177.3	178.7	0	0	0	0	110.9	F429 H435	F429-S433 WeakPolarHBondContact O-CB 3.38Å; F429-S433 PolarHBondContact O-N 3.13Å; S433-H435 PolarHBondContact O-N 3.31Å; S433-H435 PolarHBondContact OG-N 3.38Å
434	P	96.8	Very high	98.2	Very high	109 Å²	109	57 Å²	57	71%	0.708	34%	0.338	S	S	*	.	S	Bend	trans	-75.9	-6.7	175.3	31.8	-34.3	0	0	0	112.8	S432	S432-P434 WeakPolarHBondContact O-CD 3.31Å
435	H	96.4	Very high	98.2	Very high	117 Å²	117	54 Å²	54	54%	0.542	33%	0.332	S	S	.	.			trans	-127.4	51.3	-172.9	-56.9	-50.1	0	0	0	110.8	S433 P437 C537	S433-H435 PolarHBondContact O-N 3.31Å; S433-H435 PolarHBondContact OG-N 3.38Å; H435-P437 WeakPolarHBondContact O-CD 3.48Å; H435-C537 HydrophobicContact CB-CB 4Å
436	L	98.1	Very high	98.2	Very high	71 Å²	71	53.6 Å²	53.6	37%	0.372	33%	0.329	S	S	.	.	P	Polyproline II helix	trans	-75.2	130.1	172	-77.5	179.5	0	0	0	110.8	F429 L430	F429-L436 HydrophobicContact CD1-CD2 4.43Å; F429-L436 HydrophobicContact CE1-CD2 3.66Å; F429-L436 HydrophobicContact CZ-CD2 3.97Å; L430-L436 HydrophobicContact CD2-CD2 4.09Å; L430-L436 WeakPolarHBondContact O-CD1 3.18Å
437	P	98.2	Very high	98.2	Very high	16 Å²	16	53.6 Å²	53.6	10%	0.104	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-61.2	162.2	168.2	-26.7	40	0	0	0	111.7	F374 H435 S439 F536	F374-P437 HydrophobicContact CE2-CB 3.63Å; F374-P437 HydrophobicContact CE2-CG 3.62Å; F374-P437 HydrophobicContact CZ-CB 3.5Å; F374-P437 HydrophobicContact CZ-CG 3.66Å; H435-P437 WeakPolarHBondContact O-CD 3.48Å; P437-S439 PolarHBondContact O-N 2.99Å; P437-F536 HydrophobicContact CG-CD1 3.75Å; P437-F536 HydrophobicContact CG-CE1 3.94Å; P437-F536 HydrophobicContact CG-CG 4.31Å
438	P	98.3	Very high	98.2	Very high	42 Å²	42	51.7 Å²	51.7	27%	0.273	31%	0.313	S	S	.	.	P	Polyproline II helix	trans	-55.2	136.2	174.7	-18.4	28.3	0	0	0	110.8	S440 Y441 E530 V531	P438-S440 PolarHBondContact O-N 3.11Å; P438-Y441 HydrophobicContact CB-CD2 3.92Å; P438-Y441 HydrophobicContact CB-CE2 4.42Å; P438-Y441 HydrophobicContact CG-CD2 4.02Å; P438-Y441 HydrophobicContact CG-CE2 4.26Å; P438-Y441 WeakPolarHBondContact O-CB 3.15Å; P438-Y441 PolarHBondContact O-N 3.37Å; P438-E530 WeakPolarHBondContact CB-OE1 3.11Å; P438-E530 HydrophobicContact CG-CG 3.93Å; P438-E530 WeakPolarHBondContact CG-OE1 3.28Å; P438-V531 HydrophobicContact CG-CG1 4.18Å
439	S	97.8	Very high	98.3	Very high	105 Å²	105	46 Å²	46	73%	0.734	29%	0.288	S	S	*	.	G	3₁₀ helix	trans	-59.5	-20.3	-176.5	61.8	0	0	0	0	114.4	P437 Y441 F442	P437-S439 PolarHBondContact O-N 2.99Å; S439-Y441 PolarHBondContact O-N 2.87Å; S439-F442 VanDerWaalsContact O-O 3.12Å
440	S	97.8	Very high	98.3	Very high	59 Å²	59	45.5 Å²	45.5	41%	0.413	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-65.1	-22.4	172.2	38.1	0	0	0	0	113.5	P438	P438-S440 PolarHBondContact O-N 3.11Å
441	Y	98.6	Very high	98.3	Very high	6 Å²	6	43.5 Å²	43.5	2%	0.024	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-85.5	-14.2	-174.9	-82	-110.1	0	0	0	113.5	H372 F374 P438 S439 D528 E530 V531	H372-Y441 HydrophobicContact CB-CE1 3.83Å; F374-Y441 VanDerWaalsContact CB-O 3.23Å; F374-Y441 WeakPolarHBondContact CB-O 3.33Å; F374-Y441 AromaticContact CD1-CD1 3.67Å; F374-Y441 HydrophobicContact CD1-CD1 3.67Å; F374-Y441 HydrophobicContact CD1-CG 4.35Å; F374-Y441 AromaticContact CE1-CD1 3.46Å; F374-Y441 HydrophobicContact CE1-CD1 3.46Å; F374-Y441 VanDerWaalsContact CE1-CD1 3.46Å; F374-Y441 HydrophobicContact CE1-CE1 4.37Å; F374-Y441 HydrophobicContact CE1-CG 4.09Å; F374-Y441 WeakPolarHBondContact CG-O 3.24Å; F374-Y441 HydrophobicContact CZ-CD1 4.21Å; F374-Y441 HydrophobicContact CZ-CG 4.44Å; F374-Y441 PolarHBondContact N-O 3.32Å; P438-Y441 HydrophobicContact CB-CD2 3.92Å; P438-Y441 HydrophobicContact CB-CE2 4.42Å; P438-Y441 HydrophobicContact CG-CD2 4.02Å; P438-Y441 HydrophobicContact CG-CE2 4.26Å; P438-Y441 WeakPolarHBondContact O-CB 3.15Å; P438-Y441 PolarHBondContact O-N 3.37Å; S439-Y441 PolarHBondContact O-N 2.87Å; Y441-D528 PolarHBondContact OH-OD2 2.74Å; Y441-E530 HydrophobicContact CE2-CB 4.26Å; Y441-E530 VanDerWaalsContact CE2-CD 3.46Å; Y441-E530 HydrophobicContact CE2-CG 4.1Å; Y441-E530 WeakPolarHBondContact CE2-OE2 3.35Å; Y441-E530 WeakPolarHBondContact OH-CB 3.33Å; Y441-V531 HydrophobicContact CD1-CG1 3.75Å; Y441-V531 HydrophobicContact CD1-CG2 4.33Å; Y441-V531 HydrophobicContact CD2-CG1 4.16Å; Y441-V531 HydrophobicContact CE1-CB 4.29Å; Y441-V531 HydrophobicContact CE1-CG1 3.54Å; Y441-V531 HydrophobicContact CE1-CG2 3.72Å; Y441-V531 HydrophobicContact CE2-CG1 4.01Å; Y441-V531 HydrophobicContact CG-CG1 4.05Å
442	F	98.8	Very high	98.3	Very high	28 Å²	28	38.7 Å²	38.7	12%	0.123	24%	0.242	C	C	.	.	S	Bend	trans	-152.3	156.9	-175.6	73.9	-80	0	0	0	113.8	F374 F412 L430 S439 A444 F536	F374-F442 HydrophobicContact CD2-CB 3.96Å; F412-F442 HydrophobicContact CB-CD2 4.43Å; F412-F442 HydrophobicContact CD1-CD2 4.45Å; F412-F442 AromaticContact CD2-CD2 3.61Å; F412-F442 HydrophobicContact CD2-CD2 3.61Å; F412-F442 HydrophobicContact CD2-CE2 4.21Å; F412-F442 HydrophobicContact CD2-CG 4.4Å; F412-F442 AromaticContact CE2-CD2 3.93Å; F412-F442 HydrophobicContact CE2-CD2 3.93Å; F412-F442 HydrophobicContact CE2-CE2 4.06Å; F412-F442 AromaticContact CG-CD2 3.94Å; F412-F442 HydrophobicContact CG-CD2 3.94Å; F412-F442 HydrophobicContact CZ-CD2 4.47Å; F412-F442 HydrophobicContact CZ-CE2 4.28Å; L430-F442 HydrophobicContact CD2-CE2 3.82Å; L430-F442 HydrophobicContact CD2-CZ 4.03Å; S439-F442 VanDerWaalsContact O-O 3.12Å; F442-A444 HydrophobicContact CD2-CB 4.33Å; F442-A444 HydrophobicContact CE2-CB 3.71Å; F442-A444 HydrophobicContact CZ-CB 4.45Å; F442-A444 PolarHBondContact O-N 2.89Å; F442-F536 HydrophobicContact CB-CZ 3.8Å; F442-F536 HydrophobicContact CD1-CE1 4.05Å; F442-F536 AromaticContact CD1-CZ 3.97Å; F442-F536 HydrophobicContact CD1-CZ 3.97Å; F442-F536 HydrophobicContact CD2-CE1 4.17Å; F442-F536 AromaticContact CD2-CZ 3.88Å; F442-F536 HydrophobicContact CD2-CZ 3.88Å; F442-F536 HydrophobicContact CE1-CE1 4.17Å; F442-F536 HydrophobicContact CE2-CE1 4.28Å; F442-F536 HydrophobicContact CE2-CZ 4.44Å; F442-F536 HydrophobicContact CG-CE1 4.05Å; F442-F536 AromaticContact CG-CZ 3.61Å; F442-F536 HydrophobicContact CG-CZ 3.61Å; F442-F536 HydrophobicContact CZ-CE1 4.29Å
443	N	98.6	Very high	98.4	Very high	49 Å²	49	35.3 Å²	35.3	26%	0.262	22%	0.218	S	C	.	.			trans	-93.4	96.7	175.9	-179.2	8.5	0	0	0	111.6	F412 S413 N414 S445 G446	F412-N443 WeakPolarHBondContact CB-O 3.48Å; S413-N443 PolarHBondContact O-ND2 3.46Å; N414-N443 WeakPolarHBondContact OD1-CB 3.26Å; N443-S445 PolarHBondContact ND2-OG 2.99Å; N443-S445 PolarHBondContact O-N 2.99Å; N443-S445 WeakPolarHBondContact OD1-CB 3.43Å; N443-S445 PolarHBondContact OD1-N 2.94Å; N443-S445 VanDerWaalsContact OD1-N 3.11Å; N443-S445 PolarHBondContact OD1-OG 2.73Å; N443-G446 PolarHBondContact O-N 2.72Å
444	A	98.6	Very high	98.4	Very high	42 Å²	42	34.2 Å²	34.2	35%	0.347	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-13.2	179.7	0	0	0	0	0	115.1	R418 L430 F442	R418-A444 PolarHBondContact NH1-O 3.47Å; L430-A444 HydrophobicContact CD1-CB 4.07Å; F442-A444 HydrophobicContact CD2-CB 4.33Å; F442-A444 HydrophobicContact CE2-CB 3.71Å; F442-A444 HydrophobicContact CZ-CB 4.45Å; F442-A444 PolarHBondContact O-N 2.89Å
445	S	98.7	Very high	98.5	Very high	72 Å²	72	29 Å²	29	50%	0.503	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86	-11.4	177.2	72.5	0	0	0	0	114.1	R418 N443	R418-S445 WeakPolarHBondContact CB-O 3.08Å; R418-S445 PolarHBondContact N-O 2.83Å; N443-S445 PolarHBondContact ND2-OG 2.99Å; N443-S445 PolarHBondContact O-N 2.99Å; N443-S445 WeakPolarHBondContact OD1-CB 3.43Å; N443-S445 PolarHBondContact OD1-N 2.94Å; N443-S445 VanDerWaalsContact OD1-N 3.11Å; N443-S445 PolarHBondContact OD1-OG 2.73Å
446	G	98.9	Very high	98.6	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	166.7	-171.1	0	0	0	0	0	115.4	S413 F416 N443 A448	S413-G446 WeakPolarHBondContact O-CA 3.25Å; F416-G446 CarbonylContact O-C 3.52Å; F416-G446 VanDerWaalsContact O-CA 3.28Å; F416-G446 WeakPolarHBondContact O-CA 3.31Å; N443-G446 PolarHBondContact O-N 2.72Å; G446-A448 PolarHBondContact O-N 2.63Å; G446-A448 VanDerWaalsContact O-N 3.09Å
447	R	98.9	Very high	98.5	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.6	113.9	161.7	-177.6	-73.1	-158.9	-112.6	2.3	108.1	A380 S381 S382 P383 V385 T387 F412 S413 F416 P419 Y449 D451	A380-R447 PolarHBondContact O-NE 3.03Å; A380-R447 PolarHBondContact O-NH2 2.64Å; S381-R447 VanDerWaalsContact O-CD 3.27Å; S381-R447 WeakPolarHBondContact O-CD 3.47Å; S381-R447 VanDerWaalsContact O-CG 3.31Å; S381-R447 WeakPolarHBondContact O-CG 3.47Å; S382-R447 PolarHBondContact O-NE 2.79Å; S382-R447 VanDerWaalsContact O-NE 3.1Å; S382-R447 PolarHBondContact O-NH2 3.36Å; P383-R447 HydrophobicContact CB-CG 4.21Å; V385-R447 PolarHBondContact O-NH2 3.27Å; T387-R447 PolarHBondContact OG1-NH2 2.79Å; T387-R447 VanDerWaalsContact OG1-NH2 3.1Å; F412-R447 WeakPolarHBondContact CA-O 3.44Å; S413-R447 PolarHBondContact N-O 2.98Å; F416-R447 HydrophobicContact CB-CB 4.18Å; F416-R447 PolarHBondContact O-N 2.7Å; P419-R447 HydrophobicContact CG-CG 4.41Å; R447-Y449 VanDerWaalsContact CZ-CB 3.42Å; R447-D451 IonicContact CZ-OD1 3.42Å; R447-D451 IonicContact CZ-OD2 2.83Å; R447-D451 IonicContact NH1-OD1 3.75Å; R447-D451 PolarHBondContact NH1-OD1 3.15Å; R447-D451 IonicContact NH1-OD2 3.36Å; R447-D451 IonicContact NH2-OD1 2.81Å; R447-D451 PolarHBondContact NH2-OD1 2.79Å; R447-D451 IonicContact NH2-OD2 3.47Å; R447-D451 PolarHBondContact NH2-OD2 3.35Å
448	A	98.9	Very high	98.4	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	139.9	176.5	0	0	0	0	0	111.5	G411 F412 Q422 V426 G446 W542	G411-A448 CarbonylContact O-C 3.47Å; G411-A448 WeakPolarHBondContact O-CA 3.47Å; F412-A448 HydrophobicContact CD1-CB 3.47Å; F412-A448 VanDerWaalsContact CD1-CB 3.47Å; F412-A448 HydrophobicContact CD2-CB 4.38Å; F412-A448 HydrophobicContact CE1-CB 3.4Å; F412-A448 HydrophobicContact CE2-CB 4.3Å; F412-A448 HydrophobicContact CG-CB 3.98Å; F412-A448 HydrophobicContact CZ-CB 3.82Å; Q422-A448 PolarHBondContact NE2-O 3.33Å; Q422-A448 VanDerWaalsContact NE2-O 3.17Å; Q422-A448 PolarHBondContact OE1-O 3.5Å; V426-A448 HydrophobicContact CG1-CB 4.4Å; V426-A448 HydrophobicContact CG2-CB 3.83Å; G446-A448 PolarHBondContact O-N 2.63Å; G446-A448 VanDerWaalsContact O-N 3.09Å; A448-W542 HydrophobicContact CB-CH2 3.35Å; A448-W542 HydrophobicContact CB-CZ2 3.82Å; A448-W542 HydrophobicContact CB-CZ3 4.34Å
449	Y	98.9	Very high	98.4	Very high	2 Å²	2	20.8 Å²	20.8	1%	0.008	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	162.8	-174	73.7	-91.9	0	0	0	110.8	P376 T377 A380 T387 G410 G411 R447 P544	P376-Y449 VanDerWaalsContact CA-OH 3.31Å; P376-Y449 WeakPolarHBondContact CA-OH 3.42Å; P376-Y449 HydrophobicContact CB-CE1 3.94Å; T377-Y449 PolarHBondContact N-OH 3.44Å; T377-Y449 PolarHBondContact OG1-OH 2.85Å; A380-Y449 HydrophobicContact CB-CD2 4.33Å; A380-Y449 HydrophobicContact CB-CE2 4.07Å; T387-Y449 HydrophobicContact CG2-CD2 3.7Å; T387-Y449 HydrophobicContact CG2-CE2 4.49Å; T387-Y449 HydrophobicContact CG2-CG 4.27Å; G410-Y449 VanDerWaalsContact CA-CE2 3.43Å; G410-Y449 WeakPolarHBondContact CA-O 3.48Å; G411-Y449 PolarHBondContact N-O 3.49Å; G411-Y449 WeakPolarHBondContact O-CD1 3.16Å; G411-Y449 PolarHBondContact O-N 2.79Å; R447-Y449 VanDerWaalsContact CZ-CB 3.42Å; Y449-P544 CarbonylContact O-C 3.52Å; Y449-P544 VanDerWaalsContact O-CA 3.26Å; Y449-P544 WeakPolarHBondContact O-CA 3.17Å
450	P	98.9	Very high	98.4	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	11%	0.109	C	C	.	.			cis	-78	174.4	5.6	30.5	-30.3	0	0	0	114	T387 W542 V545 G547	T387-P450 HydrophobicContact CG2-CB 4.06Å; T387-P450 WeakPolarHBondContact O-CB 3.3Å; P450-W542 PolarHBondContact O-NE1 3.15Å; P450-V545 VanDerWaalsContact CG-C 3.49Å; P450-V545 VanDerWaalsContact CG-O 3.25Å; P450-V545 WeakPolarHBondContact CG-O 3.37Å; P450-G547 WeakPolarHBondContact O-CA 3.05Å
451	D	99	Very high	98.4	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	9%	0.089	C	C	.	.	S	Bend	trans	-91.7	-33.9	175.2	-53.4	-60.4	0	0	0	111	T386 T387 R447 N504 L507 Y508 W548	T386-D451 WeakPolarHBondContact CA-OD2 3.4Å; T386-D451 HydrophobicContact CG2-CB 4.24Å; T387-D451 PolarHBondContact N-OD2 2.76Å; T387-D451 PolarHBondContact O-N 3.07Å; R447-D451 IonicContact CZ-OD1 3.42Å; R447-D451 IonicContact CZ-OD2 2.83Å; R447-D451 IonicContact NH1-OD1 3.75Å; R447-D451 PolarHBondContact NH1-OD1 3.15Å; R447-D451 IonicContact NH1-OD2 3.36Å; R447-D451 IonicContact NH2-OD1 2.81Å; R447-D451 PolarHBondContact NH2-OD1 2.79Å; R447-D451 IonicContact NH2-OD2 3.47Å; R447-D451 PolarHBondContact NH2-OD2 3.35Å; D451-N504 VanDerWaalsContact CG-ND2 3.27Å; D451-N504 PolarHBondContact OD1-ND2 3.49Å; D451-N504 PolarHBondContact OD2-ND2 3Å; D451-L507 HydrophobicContact CB-CD2 4.41Å; D451-Y508 HydrophobicContact CB-CE2 4.22Å; D451-Y508 PolarHBondContact OD1-OH 2.85Å; D451-W548 PolarHBondContact O-N 3.32Å
452	V	99	Very high	98.4	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	175.7	-178.6	-62.6	0	0	0	0	110.2	T386 T387 V388 G389 F481 L507 L515 T546	T386-V452 HydrophobicContact CG2-CG2 3.89Å; T387-V452 PolarHBondContact O-N 3.2Å; V388-V452 CarbonylContact C-O 3.51Å; V388-V452 WeakPolarHBondContact CA-O 3.47Å; V388-V452 HydrophobicContact CB-CG2 4.38Å; V388-V452 HydrophobicContact CG1-CG2 4.28Å; V388-V452 HydrophobicContact CG2-CG2 3.91Å; G389-V452 PolarHBondContact N-O 2.87Å; V452-F481 HydrophobicContact CB-CD2 4.13Å; V452-F481 HydrophobicContact CB-CE1 4.33Å; V452-F481 HydrophobicContact CB-CE2 3.57Å; V452-F481 HydrophobicContact CB-CZ 3.7Å; V452-F481 HydrophobicContact CG1-CE1 4.22Å; V452-F481 HydrophobicContact CG1-CE2 3.97Å; V452-F481 HydrophobicContact CG1-CZ 3.6Å; V452-F481 HydrophobicContact CG2-CD1 4.03Å; V452-F481 HydrophobicContact CG2-CD2 3.85Å; V452-F481 HydrophobicContact CG2-CE1 3.89Å; V452-F481 HydrophobicContact CG2-CE2 3.72Å; V452-F481 HydrophobicContact CG2-CG 4.02Å; V452-F481 HydrophobicContact CG2-CZ 3.76Å; V452-L507 HydrophobicContact CG1-CD2 3.4Å; V452-L515 HydrophobicContact CG1-CD1 3.87Å; V452-T546 CarbonylContact C-O 3.17Å
453	A	98.9	Very high	98.4	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	167.6	174	0	0	0	0	0	112.7	T391 F481 T546 G549 T550 P551	T391-A453 HydrophobicContact CG2-CB 4.06Å; A453-F481 WeakPolarHBondContact O-CD2 3.32Å; A453-T546 HydrophobicContact CB-CG2 4.26Å; A453-T546 WeakPolarHBondContact CB-O 3.46Å; A453-T546 PolarHBondContact N-O 2.9Å; A453-G549 PolarHBondContact N-O 3.29Å; A453-T550 HydrophobicContact CB-CG2 4.1Å; A453-T550 VanDerWaalsContact O-CA 3.28Å; A453-T550 WeakPolarHBondContact O-CA 3.42Å; A453-P551 WeakPolarHBondContact O-CD 3.21Å
454	A	98.9	Very high	98.3	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	175.7	163.8	0	0	0	0	0	109	Y209 G389 G390 T391 S456 S477 V480	Y209-A454 HydrophobicContact CE2-CB 4.18Å; Y209-A454 VanDerWaalsContact OH-CA 3.31Å; Y209-A454 WeakPolarHBondContact OH-CA 3.4Å; G389-A454 PolarHBondContact O-N 3.3Å; G390-A454 CarbonylContact C-O 3.56Å; G390-A454 WeakPolarHBondContact CA-O 3.38Å; T391-A454 PolarHBondContact N-O 3.27Å; T391-A454 PolarHBondContact OG1-O 2.88Å; A454-S456 PolarHBondContact O-N 3.07Å; A454-S477 WeakPolarHBondContact O-CB 3.36Å; A454-V480 HydrophobicContact CB-CG1 4.33Å
455	L	98.7	Very high	98.2	Very high	1 Å²	1	20.1 Å²	20.1	1%	0.005	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.7	133.9	-179.1	-76.7	163.7	0	0	0	109.9	V200 I205 R208 Y209 T391 F393 E402 Y459 S477	V200-L455 HydrophobicContact CG2-CD1 4.47Å; I205-L455 HydrophobicContact CD1-CB 4.16Å; I205-L455 HydrophobicContact CD1-CD1 3.69Å; R208-L455 HydrophobicContact CG-CD1 4.5Å; Y209-L455 WeakPolarHBondContact OH-CG 3.34Å; Y209-L455 PolarHBondContact OH-N 3.02Å; T391-L455 CarbonylContact O-C 3.11Å; T391-L455 VanDerWaalsContact O-CA 3.3Å; T391-L455 WeakPolarHBondContact O-CA 3.21Å; T391-L455 WeakPolarHBondContact OG1-CA 3.34Å; T391-L455 PolarHBondContact OG1-N 2.7Å; T391-L455 VanDerWaalsContact OG1-N 3.13Å; F393-L455 HydrophobicContact CD1-CD2 4.34Å; F393-L455 HydrophobicContact CD2-CD2 4.18Å; F393-L455 HydrophobicContact CE1-CD1 4.23Å; F393-L455 HydrophobicContact CE1-CD2 4.16Å; F393-L455 HydrophobicContact CE2-CD1 3.76Å; F393-L455 HydrophobicContact CE2-CD2 4Å; F393-L455 HydrophobicContact CG-CD2 4.35Å; F393-L455 HydrophobicContact CZ-CD1 3.49Å; F393-L455 VanDerWaalsContact CZ-CD1 3.49Å; F393-L455 HydrophobicContact CZ-CD2 4.01Å; F393-L455 HydrophobicContact CZ-CG 4.34Å; E402-L455 HydrophobicContact CG-CD2 4.2Å; L455-Y459 HydrophobicContact CB-CE2 4.1Å; L455-Y459 WeakPolarHBondContact CB-OH 3.34Å; L455-Y459 VanDerWaalsContact O-CE2 3.27Å; L455-Y459 WeakPolarHBondContact O-CE2 3.46Å; L455-Y459 VanDerWaalsContact O-CZ 3.24Å; L455-Y459 PolarHBondContact O-OH 2.9Å; L455-S477 WeakPolarHBondContact O-CA 3.24Å; L455-S477 WeakPolarHBondContact O-CB 3.42Å; L455-S477 PolarHBondContact O-N 2.72Å
456	S	98.3	Very high	98.2	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.097	C	C	.	.			trans	-127.1	4.3	179.5	53.9	0	0	0	0	113.2	G390 T391 D405 A454 S472 G473	G390-S456 WeakPolarHBondContact CA-OG 3.39Å; T391-S456 PolarHBondContact N-OG 3.34Å; T391-S456 PolarHBondContact O-N 3.03Å; T391-S456 PolarHBondContact O-OG 2.93Å; D405-S456 WeakPolarHBondContact CB-OG 3.43Å; D405-S456 PolarHBondContact OD2-OG 2.68Å; A454-S456 PolarHBondContact O-N 3.07Å; S456-S472 CarbonylContact O-C 3.53Å; S456-S472 WeakPolarHBondContact O-CA 3.34Å; S456-S472 WeakPolarHBondContact O-CB 3.26Å; S456-G473 WeakPolarHBondContact CB-O 3.46Å; S456-G473 PolarHBondContact O-N 3.22Å
457	D	96.5	Very high	98.1	Very high	68 Å²	68	23.2 Å²	23.2	36%	0.364	12%	0.115	S	C	.	.	S	Bend	trans	-119.8	135.3	-174.1	-168.2	23.3	0	0	0	113.6	V200 S472	V200-D457 WeakPolarHBondContact CG2-O 3.23Å; D457-S472 PolarHBondContact OD1-OG 2.76Å
458	G	95.3	Very high	97.9	Very high	4 Å²	4	24.7 Å²	24.7	4%	0.041	12%	0.122	C	C	.	.	S	Bend	trans	79.2	27	162.8	0	0	0	0	0	116.1	G199 V200 V471 S472	G199-G458 CarbonylContact C-O 3.59Å; G199-G458 VanDerWaalsContact CA-O 3.28Å; G199-G458 WeakPolarHBondContact CA-O 3.45Å; V200-G458 PolarHBondContact N-O 2.79Å; G458-V471 PolarHBondContact N-O 3.05Å; G458-S472 PolarHBondContact N-OG 3.4Å
459	Y	97.9	Very high	97.7	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	149.2	-178.9	-75.4	-118.7	0	0	0	112.9	V200 I205 L275 Y279 L455 P469 W470 V471 A476 V480	V200-Y459 HydrophobicContact CB-CD2 4Å; V200-Y459 HydrophobicContact CB-CE2 4.21Å; V200-Y459 HydrophobicContact CB-CG 4.17Å; V200-Y459 HydrophobicContact CG1-CD1 4.02Å; V200-Y459 HydrophobicContact CG1-CD2 4.04Å; V200-Y459 HydrophobicContact CG1-CE1 3.81Å; V200-Y459 HydrophobicContact CG1-CE2 3.87Å; V200-Y459 HydrophobicContact CG1-CG 4.1Å; V200-Y459 HydrophobicContact CG2-CE2 4.5Å; V200-Y459 WeakPolarHBondContact O-CA 3.46Å; I205-Y459 HydrophobicContact CD1-CE1 4.14Å; I205-Y459 WeakPolarHBondContact CD1-OH 3.18Å; I205-Y459 HydrophobicContact CG1-CE1 4.39Å; L275-Y459 HydrophobicContact CD1-CD1 4.14Å; L275-Y459 HydrophobicContact CD1-CG 4.37Å; Y279-Y459 AromaticContact CD1-CD1 3.62Å; Y279-Y459 HydrophobicContact CD1-CD1 3.62Å; Y279-Y459 AromaticContact CD1-CE1 3.46Å; Y279-Y459 HydrophobicContact CD1-CE1 3.46Å; Y279-Y459 VanDerWaalsContact CD1-CE1 3.46Å; Y279-Y459 AromaticContact CD2-CD1 3.87Å; Y279-Y459 HydrophobicContact CD2-CD1 3.87Å; Y279-Y459 HydrophobicContact CD2-CE1 4.39Å; Y279-Y459 AromaticContact CE1-CD1 3.28Å; Y279-Y459 HydrophobicContact CE1-CD1 3.28Å; Y279-Y459 AromaticContact CE1-CE1 3.45Å; Y279-Y459 HydrophobicContact CE1-CE1 3.45Å; Y279-Y459 VanDerWaalsContact CE1-CE1 3.45Å; Y279-Y459 HydrophobicContact CE1-CG 4.44Å; Y279-Y459 AromaticContact CE2-CD1 3.58Å; Y279-Y459 HydrophobicContact CE2-CD1 3.58Å; Y279-Y459 HydrophobicContact CE2-CE1 4.41Å; Y279-Y459 HydrophobicContact CE2-CG 4.45Å; Y279-Y459 AromaticContact CG-CD1 3.87Å; Y279-Y459 HydrophobicContact CG-CD1 3.87Å; Y279-Y459 AromaticContact CG-CE1 3.93Å; Y279-Y459 HydrophobicContact CG-CE1 3.93Å; Y279-Y459 AromaticContact CZ-CD1 3.25Å; Y279-Y459 AromaticContact CZ-CE1 3.95Å; L455-Y459 HydrophobicContact CB-CE2 4.1Å; L455-Y459 WeakPolarHBondContact CB-OH 3.34Å; L455-Y459 VanDerWaalsContact O-CE2 3.27Å; L455-Y459 WeakPolarHBondContact O-CE2 3.46Å; L455-Y459 VanDerWaalsContact O-CZ 3.24Å; L455-Y459 PolarHBondContact O-OH 2.9Å; Y459-P469 CarbonylContact O-C 3.6Å; Y459-W470 PolarHBondContact O-N 3.22Å; Y459-V471 VanDerWaalsContact CB-O 3.3Å; Y459-V471 WeakPolarHBondContact CB-O 3.34Å; Y459-V471 PolarHBondContact N-O 3.06Å; Y459-V471 PolarHBondContact O-N 2.84Å; Y459-A476 HydrophobicContact CD1-CB 3.91Å; Y459-A476 HydrophobicContact CD2-CB 3.7Å; Y459-A476 HydrophobicContact CE1-CB 3.88Å; Y459-A476 HydrophobicContact CE2-CB 3.61Å; Y459-A476 HydrophobicContact CG-CB 3.88Å; Y459-V480 HydrophobicContact CE1-CG2 4.05Å
460	W	98.2	Very high	97.5	Very high	51 Å²	51	30.6 Å²	30.6	19%	0.193	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	128.3	167	-78.3	84.5	0	0	0	110.6	L198 V200 T201 F243 F247 Y279 P467 I468 P469	L198-W460 HydrophobicContact CD2-CZ2 4.25Å; L198-W460 PolarHBondContact O-NE1 2.76Å; V200-W460 PolarHBondContact O-N 2.8Å; T201-W460 HydrophobicContact CG2-CB 4.4Å; T201-W460 HydrophobicContact CG2-CG 4.27Å; F243-W460 WeakPolarHBondContact CE2-O 3.48Å; F247-W460 HydrophobicContact CE2-CB 4.07Å; F247-W460 HydrophobicContact CZ-CB 3.81Å; F247-W460 HydrophobicContact CZ-CD2 4.39Å; F247-W460 HydrophobicContact CZ-CG 4.13Å; Y279-W460 WeakPolarHBondContact CE2-O 3.2Å; Y279-W460 PolarHBondContact OH-N 3.22Å; Y279-W460 PolarHBondContact OH-O 2.67Å; W460-P467 HydrophobicContact CE3-CB 4.02Å; W460-P467 HydrophobicContact CZ3-CB 3.95Å; W460-I468 CarbonylContact C-O 3.57Å; W460-I468 WeakPolarHBondContact CA-O 3.27Å; W460-P469 HydrophobicContact CD2-CB 3.87Å; W460-P469 HydrophobicContact CE3-CB 4.01Å; W460-P469 HydrophobicContact CH2-CB 3.87Å; W460-P469 HydrophobicContact CH2-CG 4.01Å; W460-P469 HydrophobicContact CZ2-CB 3.71Å; W460-P469 HydrophobicContact CZ2-CG 4.3Å; W460-P469 HydrophobicContact CZ3-CB 4.01Å; W460-P469 HydrophobicContact CZ3-CG 4.12Å
461	V	98.4	Very high	97.3	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	163.4	169.6	-57.7	0	0	0	0	110.4	I271 L275 Y279 P467 I468 V471	I271-V461 HydrophobicContact CG1-CG2 4.5Å; I271-V461 HydrophobicContact CG2-CG2 4.32Å; L275-V461 HydrophobicContact CB-CG1 3.94Å; L275-V461 HydrophobicContact CD1-CG1 3.71Å; L275-V461 HydrophobicContact CG-CG1 4.46Å; Y279-V461 HydrophobicContact CE2-CG1 4.39Å; V461-P467 CarbonylContact O-C 3.5Å; V461-P467 VanDerWaalsContact O-CA 3.28Å; V461-P467 WeakPolarHBondContact O-CA 3.47Å; V461-I468 HydrophobicContact CG2-CB 3.89Å; V461-I468 PolarHBondContact N-O 2.99Å; V461-I468 PolarHBondContact O-N 2.94Å; V461-V471 HydrophobicContact CG1-CB 4.38Å; V461-V471 HydrophobicContact CG1-CG1 4.39Å; V461-V471 HydrophobicContact CG1-CG2 4.08Å; V461-V471 HydrophobicContact CG2-CG2 3.8Å
462	V	98.6	Very high	97.1	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	122.5	160.4	179.3	0	0	0	0	108.3	D239 Q242 F243 L246 S274 Q278 V466	D239-V462 HydrophobicContact CB-CG1 4.06Å; Q242-V462 HydrophobicContact CB-CG1 4.16Å; Q242-V462 HydrophobicContact CG-CG1 4.08Å; Q242-V462 HydrophobicContact CG-CG2 4.39Å; F243-V462 HydrophobicContact CB-CB 4.08Å; F243-V462 HydrophobicContact CB-CG2 3.85Å; F243-V462 HydrophobicContact CD2-CG2 4.16Å; L246-V462 HydrophobicContact CD1-CG2 3.92Å; S274-V462 VanDerWaalsContact CB-O 3.24Å; S274-V462 WeakPolarHBondContact CB-O 3.32Å; S274-V462 PolarHBondContact OG-O 3.25Å; Q278-V462 PolarHBondContact NE2-O 3.37Å; V462-V466 WeakPolarHBondContact CA-O 3.33Å
463	S	97.6	Very high	97	Very high	3 Å²	3	33.3 Å²	33.3	2%	0.021	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	131.7	175.1	-172.1	0	0	0	0	109.5	D239 G270 R465 V466	D239-S463 WeakPolarHBondContact OD2-CA 3.43Å; G270-S463 WeakPolarHBondContact CA-OG 3.48Å; G270-S463 PolarHBondContact N-OG 3.32Å; G270-S463 PolarHBondContact O-OG 3.43Å; S463-R465 PolarHBondContact O-N 3Å; S463-V466 PolarHBondContact N-O 2.78Å; S463-V466 PolarHBondContact O-N 2.72Å
464	N	96.8	Very high	97	Very high	55 Å²	55	33.3 Å²	33.3	29%	0.294	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.7	43	-171.9	-56.4	-80.5	0	0	0	112.1	D239 R268 A269 V466	D239-N464 PolarHBondContact OD2-N 2.86Å; R268-N464 WeakPolarHBondContact CG-OD1 3.26Å; A269-N464 PolarHBondContact N-OD1 3.06Å; A269-N464 PolarHBondContact O-ND2 2.95Å; N464-V466 PolarHBondContact O-N 3.23Å
465	R	97.1	Very high	96.9	Very high	166 Å²	166	34.1 Å²	34.1	63%	0.626	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.2	11.8	-175.9	-55.3	-173.2	-177.9	116	5.1	116.4	D239 Q242 S463	D239-R465 WeakPolarHBondContact OD1-CA 3.41Å; D239-R465 PolarHBondContact OD1-N 3.23Å; Q242-R465 PolarHBondContact NE2-O 3.5Å; Q242-R465 VanDerWaalsContact OE1-CA 3.26Å; Q242-R465 VanDerWaalsContact OE1-CB 3.3Å; Q242-R465 PolarHBondContact OE1-O 3.31Å; S463-R465 PolarHBondContact O-N 3Å
466	V	97.7	Very high	96.9	Very high	81 Å²	81	34 Å²	34	49%	0.491	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	127.7	178.5	-179.4	0	0	0	0	109.4	V462 S463 N464 I468	V462-V466 WeakPolarHBondContact CA-O 3.33Å; S463-V466 PolarHBondContact N-O 2.78Å; S463-V466 PolarHBondContact O-N 2.72Å; N464-V466 PolarHBondContact O-N 3.23Å; V466-I468 HydrophobicContact CG1-CG1 4.26Å
467	P	97.1	Very high	96.9	Very high	56 Å²	56	34 Å²	34	36%	0.364	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	126.7	168.6	30.5	-32.7	0	0	0	109.8	L246 W460 V461	L246-P467 HydrophobicContact CD1-CB 4.49Å; W460-P467 HydrophobicContact CE3-CB 4.02Å; W460-P467 HydrophobicContact CZ3-CB 3.95Å; V461-P467 CarbonylContact O-C 3.5Å; V461-P467 VanDerWaalsContact O-CA 3.28Å; V461-P467 WeakPolarHBondContact O-CA 3.47Å
468	I	96.1	Very high	97	Very high	31 Å²	31	30.9 Å²	30.9	16%	0.159	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	114.3	-175.1	-59.1	174.1	0	0	0	108.3	I271 W460 V461 V466 V471	I271-I468 HydrophobicContact CD1-CD1 4.31Å; I271-I468 HydrophobicContact CD1-CG2 4.17Å; I271-I468 HydrophobicContact CG1-CD1 4.03Å; W460-I468 CarbonylContact C-O 3.57Å; W460-I468 WeakPolarHBondContact CA-O 3.27Å; V461-I468 HydrophobicContact CG2-CB 3.89Å; V461-I468 PolarHBondContact N-O 2.99Å; V461-I468 PolarHBondContact O-N 2.94Å; V466-I468 HydrophobicContact CG1-CG1 4.26Å; I468-V471 HydrophobicContact CG2-CG2 4.22Å
469	P	94.7	Very high	97.2	Very high	33 Å²	33	30.8 Å²	30.8	21%	0.214	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	179.6	172.6	33.7	-34.1	0	0	0	112	Y459 W460 V471	Y459-P469 CarbonylContact O-C 3.6Å; W460-P469 HydrophobicContact CD2-CB 3.87Å; W460-P469 HydrophobicContact CE3-CB 4.01Å; W460-P469 HydrophobicContact CH2-CB 3.87Å; W460-P469 HydrophobicContact CH2-CG 4.01Å; W460-P469 HydrophobicContact CZ2-CB 3.71Å; W460-P469 HydrophobicContact CZ2-CG 4.3Å; W460-P469 HydrophobicContact CZ3-CB 4.01Å; W460-P469 HydrophobicContact CZ3-CG 4.12Å; P469-V471 PolarHBondContact O-N 2.98Å
470	W	93.1	Very high	97.2	Very high	93 Å²	93	30.8 Å²	30.8	35%	0.352	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	60.4	30.1	170.9	-46.2	122.6	0	0	0	114	R185 P186 L198 Y459	R185-W470 VanDerWaalsContact CD-O 3.29Å; R185-W470 WeakPolarHBondContact CD-O 3.24Å; P186-W470 HydrophobicContact CG-CG 4.4Å; L198-W470 HydrophobicContact CD1-CH2 3.4Å; L198-W470 HydrophobicContact CD1-CZ2 3.53Å; L198-W470 HydrophobicContact CD1-CZ3 4.44Å; L198-W470 HydrophobicContact CD2-CH2 4.5Å; L198-W470 HydrophobicContact CD2-CZ2 3.87Å; L198-W470 HydrophobicContact CG-CH2 4.06Å; L198-W470 HydrophobicContact CG-CZ2 3.93Å; Y459-W470 PolarHBondContact O-N 3.22Å
471	V	95.7	Very high	97.3	Very high	7 Å²	7	28.4 Å²	28.4	4%	0.042	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	120.9	168.5	-178.4	0	0	0	0	107.6	I271 L275 G458 Y459 V461 I468 P469	I271-V471 HydrophobicContact CG2-CB 4.27Å; I271-V471 HydrophobicContact CG2-CG1 3.53Å; I271-V471 HydrophobicContact CG2-CG2 3.67Å; L275-V471 HydrophobicContact CD1-CG1 3.98Å; L275-V471 HydrophobicContact CD2-CG1 3.8Å; L275-V471 HydrophobicContact CG-CG1 4.36Å; G458-V471 PolarHBondContact N-O 3.05Å; Y459-V471 VanDerWaalsContact CB-O 3.3Å; Y459-V471 WeakPolarHBondContact CB-O 3.34Å; Y459-V471 PolarHBondContact N-O 3.06Å; Y459-V471 PolarHBondContact O-N 2.84Å; V461-V471 HydrophobicContact CG1-CB 4.38Å; V461-V471 HydrophobicContact CG1-CG1 4.39Å; V461-V471 HydrophobicContact CG1-CG2 4.08Å; V461-V471 HydrophobicContact CG2-CG2 3.8Å; I468-V471 HydrophobicContact CG2-CG2 4.22Å; P469-V471 PolarHBondContact O-N 2.98Å
472	S	95.3	Very high	97.3	Very high	49 Å²	49	28.4 Å²	28.4	34%	0.343	15%	0.146	S	C	.	.			trans	-134.9	153.8	-177.1	-52.5	0	0	0	0	110	S456 D457 G458	S456-S472 CarbonylContact O-C 3.53Å; S456-S472 WeakPolarHBondContact O-CA 3.34Å; S456-S472 WeakPolarHBondContact O-CB 3.26Å; D457-S472 PolarHBondContact OD1-OG 2.76Å; G458-S472 PolarHBondContact N-OG 3.4Å
473	G	96.4	Very high	97.3	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.01	15%	0.146	C	C	.	.	S	Bend	trans	138.8	156.5	-176.5	0	0	0	0	0	112	D360 S456 S475 A476	D360-G473 WeakPolarHBondContact OD1-CA 3.4Å; D360-G473 VanDerWaalsContact OD2-CA 3.32Å; D360-G473 WeakPolarHBondContact OD2-CA 3.3Å; S456-G473 WeakPolarHBondContact CB-O 3.46Å; S456-G473 PolarHBondContact O-N 3.22Å; G473-S475 PolarHBondContact O-N 2.76Å; G473-A476 VanDerWaalsContact O-CB 3.29Å; G473-A476 WeakPolarHBondContact O-CB 3.46Å; G473-A476 PolarHBondContact O-N 3.48Å
474	T	98.1	Very high	97.4	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.006	15%	0.145	C	C	.	.	H	α-helix	trans	-65.4	-13.9	172.5	54.5	0	0	0	0	112.5	G359 D360 A476 S477 T478	G359-T474 PolarHBondContact N-OG1 3.48Å; G359-T474 VanDerWaalsContact N-OG1 3.11Å; G359-T474 VanDerWaalsContact O-CG2 3.32Å; G359-T474 WeakPolarHBondContact O-CG2 3.34Å; G359-T474 PolarHBondContact O-OG1 2.81Å; D360-T474 PolarHBondContact OD1-N 3.27Å; D360-T474 PolarHBondContact OD1-OG1 3.38Å; T474-A476 PolarHBondContact O-N 3.46Å; T474-S477 VanDerWaalsContact CA-OG 3.32Å; T474-S477 WeakPolarHBondContact CA-OG 3.47Å; T474-S477 PolarHBondContact O-N 2.78Å; T474-S477 PolarHBondContact O-OG 2.98Å; T474-T478 WeakPolarHBondContact O-CB 3.3Å; T474-T478 PolarHBondContact O-N 2.8Å; T474-T478 VanDerWaalsContact O-N 3.07Å; T474-T478 PolarHBondContact O-OG1 3.4Å
475	S	97.2	Very high	97.5	Very high	16 Å²	16	25.6 Å²	25.6	11%	0.112	13%	0.131	C	C	.	.	H	α-helix	trans	-57	-26.6	162.4	-58.9	0	0	0	0	113	S324 G473 P479	S324-S475 PolarHBondContact OG-OG 2.86Å; G473-S475 PolarHBondContact O-N 2.76Å; S475-P479 WeakPolarHBondContact O-CD 3.42Å; S475-P479 VanDerWaalsContact O-CG 3.25Å; S475-P479 WeakPolarHBondContact O-CG 3.47Å
476	A	98.3	Very high	97.6	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-85.6	-39.4	175.9	0	0	0	0	0	112.7	L275 Y459 G473 T474 P479 V480	L275-A476 HydrophobicContact CD1-CB 3.91Å; L275-A476 HydrophobicContact CD2-CB 3.96Å; L275-A476 HydrophobicContact CG-CB 4.3Å; Y459-A476 HydrophobicContact CD1-CB 3.91Å; Y459-A476 HydrophobicContact CD2-CB 3.7Å; Y459-A476 HydrophobicContact CE1-CB 3.88Å; Y459-A476 HydrophobicContact CE2-CB 3.61Å; Y459-A476 HydrophobicContact CG-CB 3.88Å; G473-A476 VanDerWaalsContact O-CB 3.29Å; G473-A476 WeakPolarHBondContact O-CB 3.46Å; G473-A476 PolarHBondContact O-N 3.48Å; T474-A476 PolarHBondContact O-N 3.46Å; A476-P479 WeakPolarHBondContact O-CD 3.37Å; A476-P479 VanDerWaalsContact O-CG 3.28Å; A476-P479 WeakPolarHBondContact O-CG 3.14Å; A476-V480 WeakPolarHBondContact O-CG2 3.37Å
477	S	98.9	Very high	97.6	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-69.4	-37.4	-178.1	62.6	0	0	0	0	112.2	G389 A454 L455 T474 V480 F481	G389-S477 WeakPolarHBondContact O-CB 3.29Å; G389-S477 PolarHBondContact O-OG 3.39Å; A454-S477 WeakPolarHBondContact O-CB 3.36Å; L455-S477 WeakPolarHBondContact O-CA 3.24Å; L455-S477 WeakPolarHBondContact O-CB 3.42Å; L455-S477 PolarHBondContact O-N 2.72Å; T474-S477 VanDerWaalsContact CA-OG 3.32Å; T474-S477 WeakPolarHBondContact CA-OG 3.47Å; T474-S477 PolarHBondContact O-N 2.78Å; T474-S477 PolarHBondContact O-OG 2.98Å; S477-V480 PolarHBondContact O-N 3.23Å; S477-F481 PolarHBondContact O-N 2.91Å
478	T	98.9	Very high	97.7	Very high	1 Å²	1	11.2 Å²	11.2	1%	0.006	6%	0.06	C	C	.	.	H	α-helix	trans	-58.2	-54.3	-179.3	-54.1	0	0	0	0	114.2	T322 L355 A357 V388 T474 V480 F481 G482	T322-T478 WeakPolarHBondContact CG2-O 3.42Å; L355-T478 HydrophobicContact CB-CG2 3.85Å; A357-T478 WeakPolarHBondContact CA-OG1 3.31Å; A357-T478 WeakPolarHBondContact CB-OG1 3.31Å; A357-T478 PolarHBondContact N-OG1 2.92Å; V388-T478 HydrophobicContact CG2-CG2 4.26Å; T474-T478 WeakPolarHBondContact O-CB 3.3Å; T474-T478 PolarHBondContact O-N 2.8Å; T474-T478 VanDerWaalsContact O-N 3.07Å; T474-T478 PolarHBondContact O-OG1 3.4Å; T478-V480 VanDerWaalsContact C-N 3.28Å; T478-V480 PolarHBondContact O-N 3.27Å; T478-F481 PolarHBondContact O-N 3.02Å; T478-G482 PolarHBondContact O-N 2.87Å
479	P	98.9	Very high	97.8	Very high	2 Å²	2	9.8 Å²	9.8	1%	0.013	5%	0.053	C	C	.	.	H	α-helix	trans	-64.3	-31.7	176.9	27	-36.9	0	0	0	112.7	D276 L280 S475 A476 G483	D276-P479 VanDerWaalsContact O-CB 3.29Å; D276-P479 WeakPolarHBondContact O-CB 3.31Å; L280-P479 HydrophobicContact CB-CB 3.92Å; S475-P479 WeakPolarHBondContact O-CD 3.42Å; S475-P479 VanDerWaalsContact O-CG 3.25Å; S475-P479 WeakPolarHBondContact O-CG 3.47Å; A476-P479 WeakPolarHBondContact O-CD 3.37Å; A476-P479 VanDerWaalsContact O-CG 3.28Å; A476-P479 WeakPolarHBondContact O-CG 3.14Å; P479-G483 PolarHBondContact O-N 3.27Å
480	V	98.9	Very high	98	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-64.6	-54.2	175.3	170.7	0	0	0	0	110.5	I205 Y209 Y279 A283 A454 Y459 A476 S477 T478 G482 G483 L484	I205-V480 HydrophobicContact CD1-CG1 4.48Å; I205-V480 HydrophobicContact CD1-CG2 4.39Å; I205-V480 HydrophobicContact CG1-CG2 4.39Å; I205-V480 HydrophobicContact CG2-CG1 3.59Å; I205-V480 HydrophobicContact CG2-CG2 4.34Å; Y209-V480 HydrophobicContact CD2-CG1 3.99Å; Y209-V480 HydrophobicContact CE2-CG1 3.71Å; Y279-V480 HydrophobicContact CD1-CG2 4.13Å; Y279-V480 HydrophobicContact CG-CG2 4.47Å; A283-V480 HydrophobicContact CB-CG1 4.45Å; A283-V480 VanDerWaalsContact CB-O 3.29Å; A283-V480 WeakPolarHBondContact CB-O 3.47Å; A454-V480 HydrophobicContact CB-CG1 4.33Å; Y459-V480 HydrophobicContact CE1-CG2 4.05Å; A476-V480 WeakPolarHBondContact O-CG2 3.37Å; S477-V480 PolarHBondContact O-N 3.23Å; T478-V480 VanDerWaalsContact C-N 3.28Å; T478-V480 PolarHBondContact O-N 3.27Å; V480-G482 VanDerWaalsContact C-N 3.33Å; V480-G482 PolarHBondContact O-N 2.95Å; V480-G483 PolarHBondContact O-N 3.14Å; V480-L484 HydrophobicContact CG1-CD1 4.04Å; V480-L484 WeakPolarHBondContact O-CD1 3.32Å; V480-L484 PolarHBondContact O-N 2.79Å
481	F	98.9	Very high	98.3	Very high	1 Å²	1	7.5 Å²	7.5	0%	0.004	4%	0.043	C	C	.	.	H	α-helix	trans	-61	-43.6	179.8	-158.3	-77.1	0	0	0	111.5	L355 V388 V452 A453 S477 T478 G483 L484 L485 L515 P551 L556	L355-F481 HydrophobicContact CD2-CB 4.26Å; L355-F481 HydrophobicContact CD2-CD1 3.86Å; L355-F481 HydrophobicContact CD2-CG 4.48Å; V388-F481 HydrophobicContact CG1-CB 4.08Å; V388-F481 HydrophobicContact CG2-CB 4.4Å; V452-F481 HydrophobicContact CB-CD2 4.13Å; V452-F481 HydrophobicContact CB-CE1 4.33Å; V452-F481 HydrophobicContact CB-CE2 3.57Å; V452-F481 HydrophobicContact CB-CZ 3.7Å; V452-F481 HydrophobicContact CG1-CE1 4.22Å; V452-F481 HydrophobicContact CG1-CE2 3.97Å; V452-F481 HydrophobicContact CG1-CZ 3.6Å; V452-F481 HydrophobicContact CG2-CD1 4.03Å; V452-F481 HydrophobicContact CG2-CD2 3.85Å; V452-F481 HydrophobicContact CG2-CE1 3.89Å; V452-F481 HydrophobicContact CG2-CE2 3.72Å; V452-F481 HydrophobicContact CG2-CG 4.02Å; V452-F481 HydrophobicContact CG2-CZ 3.76Å; A453-F481 WeakPolarHBondContact O-CD2 3.32Å; S477-F481 PolarHBondContact O-N 2.91Å; T478-F481 PolarHBondContact O-N 3.02Å; F481-G483 VanDerWaalsContact C-N 3.35Å; F481-G483 PolarHBondContact O-N 3.32Å; F481-L484 PolarHBondContact O-N 3.13Å; F481-L485 HydrophobicContact CD1-CD1 3.89Å; F481-L485 HydrophobicContact CD1-CD2 4.39Å; F481-L485 HydrophobicContact CD1-CG 3.83Å; F481-L485 HydrophobicContact CE1-CD1 3.84Å; F481-L485 HydrophobicContact CE1-CD2 3.83Å; F481-L485 HydrophobicContact CE1-CG 3.77Å; F481-L485 PolarHBondContact O-N 3.14Å; F481-L515 HydrophobicContact CE2-CD2 4.12Å; F481-L515 HydrophobicContact CZ-CD2 4.04Å; F481-P551 HydrophobicContact CD2-CB 4.18Å; F481-P551 HydrophobicContact CD2-CG 3.76Å; F481-P551 HydrophobicContact CE2-CB 3.82Å; F481-P551 HydrophobicContact CE2-CG 3.88Å; F481-P551 HydrophobicContact CZ-CB 4.39Å; F481-L556 HydrophobicContact CZ-CD2 4.4Å
482	G	98.9	Very high	98.4	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-61.8	-39.3	177.7	0	0	0	0	0	113.3	T478 V480 L484 L485 S486	T478-G482 PolarHBondContact O-N 2.87Å; V480-G482 VanDerWaalsContact C-N 3.33Å; V480-G482 PolarHBondContact O-N 2.95Å; G482-L484 PolarHBondContact O-N 2.77Å; G482-L485 PolarHBondContact O-N 3.37Å; G482-S486 WeakPolarHBondContact O-CB 3.27Å; G482-S486 PolarHBondContact O-N 2.99Å
483	G	98.9	Very high	98.6	Very high	0 Å²	0	6.5 Å²	6.5	0%	0	3%	0.033	C	C	.	.	H	α-helix	trans	-61.9	-40.3	174.8	0	0	0	0	0	113	G284 P479 V480 F481 S486 L487	G284-G483 WeakPolarHBondContact CA-O 3.42Å; G284-G483 VanDerWaalsContact N-CA 3.33Å; P479-G483 PolarHBondContact O-N 3.27Å; V480-G483 PolarHBondContact O-N 3.14Å; F481-G483 VanDerWaalsContact C-N 3.35Å; F481-G483 PolarHBondContact O-N 3.32Å; G483-S486 WeakPolarHBondContact O-CB 3.3Å; G483-S486 PolarHBondContact O-N 2.65Å; G483-L487 PolarHBondContact O-N 3.21Å; G483-L487 VanDerWaalsContact O-N 3.08Å
484	L	98.8	Very high	98.6	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-63.5	-43.2	173.2	-83.7	90.7	0	0	0	111.8	Y209 L211 A283 V480 F481 G482 S486 L487 I488 P551 F553	Y209-L484 HydrophobicContact CD2-CD1 4.43Å; L211-L484 HydrophobicContact CD1-CD1 4.11Å; L211-L484 HydrophobicContact CD1-CD2 4.38Å; L211-L484 HydrophobicContact CD1-CG 4.11Å; A283-L484 HydrophobicContact CB-CD1 3.89Å; V480-L484 HydrophobicContact CG1-CD1 4.04Å; V480-L484 WeakPolarHBondContact O-CD1 3.32Å; V480-L484 PolarHBondContact O-N 2.79Å; F481-L484 PolarHBondContact O-N 3.13Å; G482-L484 PolarHBondContact O-N 2.77Å; L484-S486 VanDerWaalsContact C-N 3.31Å; L484-S486 PolarHBondContact O-N 2.92Å; L484-L487 PolarHBondContact O-N 2.88Å; L484-I488 WeakPolarHBondContact O-CG1 3.4Å; L484-I488 PolarHBondContact O-N 3.1Å; L484-P551 HydrophobicContact CD2-CB 3.74Å; L484-P551 HydrophobicContact CD2-CG 3.8Å; L484-F553 HydrophobicContact CD2-CB 3.83Å; L484-F553 HydrophobicContact CD2-CD2 4.21Å; L484-F553 HydrophobicContact CD2-CG 4.47Å; L484-F553 HydrophobicContact CG-CD2 4.47Å
485	L	98.9	Very high	98.6	Very high	0 Å²	0	14 Å²	14	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-63.9	-36.5	176	-67.5	-173.6	0	0	0	112.6	T353 L355 F481 G482 L487 I488 N489 L500 L503 L556 L560	T353-L485 HydrophobicContact CG2-CD1 3.9Å; L355-L485 HydrophobicContact CD1-CD1 4.42Å; L355-L485 HydrophobicContact CD2-CD1 4.01Å; F481-L485 HydrophobicContact CD1-CD1 3.89Å; F481-L485 HydrophobicContact CD1-CD2 4.39Å; F481-L485 HydrophobicContact CD1-CG 3.83Å; F481-L485 HydrophobicContact CE1-CD1 3.84Å; F481-L485 HydrophobicContact CE1-CD2 3.83Å; F481-L485 HydrophobicContact CE1-CG 3.77Å; F481-L485 PolarHBondContact O-N 3.14Å; G482-L485 PolarHBondContact O-N 3.37Å; L485-L487 VanDerWaalsContact C-N 3.31Å; L485-L487 PolarHBondContact O-N 3.29Å; L485-I488 HydrophobicContact CD2-CD1 4.31Å; L485-I488 WeakPolarHBondContact O-CB 3.29Å; L485-I488 PolarHBondContact O-N 2.77Å; L485-N489 PolarHBondContact O-N 2.91Å; L485-L500 HydrophobicContact CD2-CD1 4.08Å; L485-L503 HydrophobicContact CD1-CD2 3.67Å; L485-L503 HydrophobicContact CD2-CD2 3.94Å; L485-L503 HydrophobicContact CG-CD2 4.47Å; L485-L556 HydrophobicContact CD2-CD2 4.47Å; L485-L560 HydrophobicContact CD2-CD1 4.31Å
486	S	98.9	Very high	98.6	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-63.1	-38.3	175.1	-177	0	0	0	0	111.8	N223 Q225 I287 G482 G483 L484 N489 E490	N223-S486 PolarHBondContact ND2-O 3.26Å; Q225-S486 PolarHBondContact OE1-OG 3.2Å; I287-S486 VanDerWaalsContact CD1-OG 3.32Å; I287-S486 WeakPolarHBondContact CD1-OG 3.5Å; G482-S486 WeakPolarHBondContact O-CB 3.27Å; G482-S486 PolarHBondContact O-N 2.99Å; G483-S486 WeakPolarHBondContact O-CB 3.3Å; G483-S486 PolarHBondContact O-N 2.65Å; L484-S486 VanDerWaalsContact C-N 3.31Å; L484-S486 PolarHBondContact O-N 2.92Å; S486-N489 WeakPolarHBondContact O-CB 3.48Å; S486-N489 PolarHBondContact O-N 2.74Å; S486-E490 PolarHBondContact O-N 2.87Å
487	L	98.8	Very high	98.6	Very high	1 Å²	1	20.8 Å²	20.8	1%	0.005	12%	0.124	C	C	.	.	H	α-helix	trans	-68.3	-37.4	172.2	-172.5	62.3	0	0	0	112	L211 D215 I287 G483 L484 L485 N489 E490 H491 F553	L211-L487 HydrophobicContact CD2-CD2 3.74Å; D215-L487 HydrophobicContact CB-CD2 3.83Å; D215-L487 WeakPolarHBondContact O-CD2 3.5Å; I287-L487 HydrophobicContact CD1-CB 4.43Å; I287-L487 HydrophobicContact CD1-CD1 4.49Å; G483-L487 PolarHBondContact O-N 3.21Å; G483-L487 VanDerWaalsContact O-N 3.08Å; L484-L487 PolarHBondContact O-N 2.88Å; L485-L487 VanDerWaalsContact C-N 3.31Å; L485-L487 PolarHBondContact O-N 3.29Å; L487-N489 VanDerWaalsContact C-N 3.3Å; L487-N489 PolarHBondContact O-N 3.11Å; L487-E490 HydrophobicContact CD1-CB 4.4Å; L487-E490 VanDerWaalsContact O-CB 3.24Å; L487-E490 WeakPolarHBondContact O-CB 3.31Å; L487-E490 PolarHBondContact O-N 3.19Å; L487-E490 VanDerWaalsContact O-N 3.15Å; L487-H491 PolarHBondContact O-CD2 2.99Å; L487-H491 VanDerWaalsContact O-CD2 3.22Å; L487-H491 PolarHBondContact O-N 3.24Å; L487-F553 HydrophobicContact CB-CE2 4.06Å; L487-F553 HydrophobicContact CB-CZ 4.49Å; L487-F553 HydrophobicContact CD2-CD2 4.39Å; L487-F553 HydrophobicContact CD2-CE1 4.13Å; L487-F553 HydrophobicContact CD2-CE2 3.58Å; L487-F553 HydrophobicContact CD2-CZ 3.43Å; L487-F553 VanDerWaalsContact CD2-CZ 3.43Å; L487-F553 HydrophobicContact CG-CE2 3.81Å; L487-F553 HydrophobicContact CG-CZ 3.74Å
488	I	98.9	Very high	98.5	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-62.5	-39.8	171.7	-65	175.2	0	0	0	110.9	L484 L485 E490 H491 R492 L500 F553 L556 L557 L560	L484-I488 WeakPolarHBondContact O-CG1 3.4Å; L484-I488 PolarHBondContact O-N 3.1Å; L485-I488 HydrophobicContact CD2-CD1 4.31Å; L485-I488 WeakPolarHBondContact O-CB 3.29Å; L485-I488 PolarHBondContact O-N 2.77Å; I488-E490 VanDerWaalsContact C-N 3.3Å; I488-E490 PolarHBondContact O-N 2.79Å; I488-H491 PolarHBondContact O-N 3.26Å; I488-R492 WeakPolarHBondContact O-CG 3.42Å; I488-R492 PolarHBondContact O-N 2.73Å; I488-L500 HydrophobicContact CB-CD1 4.39Å; I488-L500 HydrophobicContact CG2-CD1 3.94Å; I488-F553 HydrophobicContact CG1-CD2 4.33Å; I488-F553 HydrophobicContact CG1-CE2 3.85Å; I488-L556 HydrophobicContact CD1-CB 4.37Å; I488-L556 HydrophobicContact CD1-CD2 3.88Å; I488-L556 HydrophobicContact CD1-CG 3.8Å; I488-L557 HydrophobicContact CB-CD1 4.36Å; I488-L557 HydrophobicContact CG1-CB 4.44Å; I488-L557 HydrophobicContact CG1-CD1 4.08Å; I488-L557 HydrophobicContact CG2-CD1 4.11Å; I488-L560 HydrophobicContact CD1-CD1 3.93Å; I488-L560 HydrophobicContact CG2-CB 3.77Å; I488-L560 HydrophobicContact CG2-CD1 4.29Å
489	N	98.8	Very high	98.5	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-60.8	-37.3	172.9	-80.4	-24.5	0	0	0	112.1	V320 L485 S486 L487 H491 R492 I493 P499 L500	V320-N489 WeakPolarHBondContact CG2-ND2 3.16Å; L485-N489 PolarHBondContact O-N 2.91Å; S486-N489 WeakPolarHBondContact O-CB 3.48Å; S486-N489 PolarHBondContact O-N 2.74Å; L487-N489 VanDerWaalsContact C-N 3.3Å; L487-N489 PolarHBondContact O-N 3.11Å; N489-H491 VanDerWaalsContact C-N 3.34Å; N489-H491 PolarHBondContact O-N 3.15Å; N489-R492 PolarHBondContact O-N 2.73Å; N489-I493 HydrophobicContact CB-CD1 4.34Å; N489-I493 WeakPolarHBondContact O-CB 3.3Å; N489-I493 WeakPolarHBondContact O-CD1 3.39Å; N489-I493 WeakPolarHBondContact O-CG1 3.14Å; N489-I493 PolarHBondContact O-N 3.35Å; N489-P499 WeakPolarHBondContact OD1-CA 3.22Å; N489-L500 WeakPolarHBondContact OD1-CG 3.39Å; N489-L500 PolarHBondContact OD1-N 2.93Å
490	E	98.6	Very high	98.5	Very high	9 Å²	9	23.9 Å²	23.9	4%	0.042	14%	0.144	C	C	.	.	H	α-helix	trans	-55.3	-49.3	173.7	-176.6	75	165.7	0	0	110.8	S218 S221 N223 S486 L487 I488 R492 I493 L494	S218-E490 WeakPolarHBondContact CB-OE1 3.32Å; S218-E490 PolarHBondContact N-OE1 3.04Å; S218-E490 PolarHBondContact OG-OE1 3.01Å; S221-E490 PolarHBondContact OG-OE2 2.93Å; N223-E490 WeakPolarHBondContact CB-OE2 3.06Å; N223-E490 PolarHBondContact ND2-N 2.94Å; N223-E490 PolarHBondContact ND2-OE2 2.82Å; S486-E490 PolarHBondContact O-N 2.87Å; L487-E490 HydrophobicContact CD1-CB 4.4Å; L487-E490 VanDerWaalsContact O-CB 3.24Å; L487-E490 WeakPolarHBondContact O-CB 3.31Å; L487-E490 PolarHBondContact O-N 3.19Å; L487-E490 VanDerWaalsContact O-N 3.15Å; I488-E490 VanDerWaalsContact C-N 3.3Å; I488-E490 PolarHBondContact O-N 2.79Å; E490-R492 VanDerWaalsContact C-N 3.34Å; E490-R492 PolarHBondContact O-N 3.22Å; E490-I493 PolarHBondContact O-N 2.83Å; E490-L494 HydrophobicContact CG-CD1 3.94Å; E490-L494 WeakPolarHBondContact O-CB 3.23Å; E490-L494 VanDerWaalsContact O-CG 3.25Å; E490-L494 WeakPolarHBondContact O-CG 3.31Å; E490-L494 PolarHBondContact O-N 2.82Å
491	H	98.6	Very high	98.5	Very high	69 Å²	69	23.9 Å²	23.9	32%	0.319	14%	0.144	S	C	.	.	H	α-helix	trans	-62.9	-39.4	177.5	-71.6	-83.1	0	0	0	112.9	L487 I488 N489 S495 F553 L557 L561	L487-H491 PolarHBondContact O-CD2 2.99Å; L487-H491 VanDerWaalsContact O-CD2 3.22Å; L487-H491 PolarHBondContact O-N 3.24Å; I488-H491 PolarHBondContact O-N 3.26Å; N489-H491 VanDerWaalsContact C-N 3.34Å; N489-H491 PolarHBondContact O-N 3.15Å; H491-S495 WeakPolarHBondContact O-CB 3.42Å; H491-S495 PolarHBondContact O-N 2.77Å; H491-S495 VanDerWaalsContact O-N 3.15Å; H491-S495 PolarHBondContact O-OG 3.37Å; H491-F553 AromaticContact NE2-CZ 3.98Å; H491-L557 HydrophobicContact CB-CD1 3.87Å; H491-L561 HydrophobicContact CB-CD2 3.87Å
492	R	98.5	Very high	98.5	Very high	3 Å²	3	24.2 Å²	24.2	1%	0.011	15%	0.146	C	C	.	.	H	α-helix	trans	-66	-48	177.6	-70.4	178.1	61	85.2	-4.5	111.5	I488 N489 E490 S495 G496 R497 P498 L560 L561	I488-R492 WeakPolarHBondContact O-CG 3.42Å; I488-R492 PolarHBondContact O-N 2.73Å; N489-R492 PolarHBondContact O-N 2.73Å; E490-R492 VanDerWaalsContact C-N 3.34Å; E490-R492 PolarHBondContact O-N 3.22Å; R492-S495 WeakPolarHBondContact CA-OG 3.34Å; R492-S495 CarbonylContact O-C 3.48Å; R492-S495 PolarHBondContact O-N 2.78Å; R492-S495 VanDerWaalsContact O-N 3.14Å; R492-S495 PolarHBondContact O-OG 3.06Å; R492-G496 PolarHBondContact O-N 2.9Å; R492-R497 CarbonylContact C-O 3.58Å; R492-R497 HydrophobicContact CB-CB 4.15Å; R492-R497 WeakPolarHBondContact O-CA 3.2Å; R492-R497 WeakPolarHBondContact O-CB 3.22Å; R492-R497 PolarHBondContact O-N 3.49Å; R492-P498 VanDerWaalsContact CZ-O 3.3Å; R492-P498 PolarHBondContact NE-O 3.32Å; R492-P498 PolarHBondContact NH2-O 3.28Å; R492-L560 WeakPolarHBondContact CD-O 3.34Å; R492-L560 PolarHBondContact NH1-O 2.64Å; R492-L561 PolarHBondContact NH1-O 3.28Å
493	I	98.5	Very high	98.5	Very high	33 Å²	33	24.4 Å²	24.4	17%	0.169	15%	0.147	C	C	.	.	H	α-helix	trans	-64.3	-44.7	-178.5	-67.7	163.1	0	0	0	110.3	N223 N489 E490 S495 G496	N223-I493 HydrophobicContact CB-CD1 3.77Å; N489-I493 HydrophobicContact CB-CD1 4.34Å; N489-I493 WeakPolarHBondContact O-CB 3.3Å; N489-I493 WeakPolarHBondContact O-CD1 3.39Å; N489-I493 WeakPolarHBondContact O-CG1 3.14Å; N489-I493 PolarHBondContact O-N 3.35Å; E490-I493 PolarHBondContact O-N 2.83Å; I493-S495 PolarHBondContact O-N 2.91Å; I493-G496 PolarHBondContact O-N 3.36Å
494	L	98	Very high	98.5	Very high	92 Å²	92	24.4 Å²	24.4	48%	0.482	15%	0.147	S	C	.	.	H	α-helix	trans	-64.1	-25.3	176.4	-70.1	174.8	0	0	0	113.4	T220 E490 G496	T220-L494 WeakPolarHBondContact OG1-CD2 3.47Å; E490-L494 HydrophobicContact CG-CD1 3.94Å; E490-L494 WeakPolarHBondContact O-CB 3.23Å; E490-L494 VanDerWaalsContact O-CG 3.25Å; E490-L494 WeakPolarHBondContact O-CG 3.31Å; E490-L494 PolarHBondContact O-N 2.82Å; L494-G496 VanDerWaalsContact C-N 3.3Å
495	S	97.5	Very high	98.5	Very high	66 Å²	66	24.4 Å²	24.4	46%	0.462	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.5	12.8	173	57.5	0	0	0	0	113.7	H491 R492 I493 R497	H491-S495 WeakPolarHBondContact O-CB 3.42Å; H491-S495 PolarHBondContact O-N 2.77Å; H491-S495 VanDerWaalsContact O-N 3.15Å; H491-S495 PolarHBondContact O-OG 3.37Å; R492-S495 WeakPolarHBondContact CA-OG 3.34Å; R492-S495 CarbonylContact O-C 3.48Å; R492-S495 PolarHBondContact O-N 2.78Å; R492-S495 VanDerWaalsContact O-N 3.14Å; R492-S495 PolarHBondContact O-OG 3.06Å; I493-S495 PolarHBondContact O-N 2.91Å; S495-R497 VanDerWaalsContact C-N 3.33Å; S495-R497 PolarHBondContact O-N 2.83Å
496	G	97.1	Very high	98.5	Very high	74 Å²	74	24.5 Å²	24.5	76%	0.763	15%	0.147	S	C	*	.	T	Hydrogen-bonded Turn	trans	73.4	22.3	176.7	0	0	0	0	0	114	R492 I493 L494	R492-G496 PolarHBondContact O-N 2.9Å; I493-G496 PolarHBondContact O-N 3.36Å; L494-G496 VanDerWaalsContact C-N 3.3Å
497	R	97.8	Very high	98.5	Very high	85 Å²	85	24.7 Å²	24.7	32%	0.321	15%	0.148	S	C	.	.	P	Polyproline II helix	trans	-103.5	151.6	179.1	-57.1	-174.7	175.8	-70	0.1	111.4	R492 S495 L561 N562	R492-R497 CarbonylContact C-O 3.58Å; R492-R497 HydrophobicContact CB-CB 4.15Å; R492-R497 WeakPolarHBondContact O-CA 3.2Å; R492-R497 WeakPolarHBondContact O-CB 3.22Å; R492-R497 PolarHBondContact O-N 3.49Å; S495-R497 VanDerWaalsContact C-N 3.33Å; S495-R497 PolarHBondContact O-N 2.83Å; R497-L561 WeakPolarHBondContact CD-O 3.45Å; R497-L561 PolarHBondContact NE-O 3.21Å; R497-N562 VanDerWaalsContact CZ-OD1 3.23Å; R497-N562 PolarHBondContact NE-OD1 3.2Å; R497-N562 PolarHBondContact NH2-OD1 3.12Å
498	P	98.1	Very high	98.5	Very high	52 Å²	52	25.1 Å²	25.1	34%	0.338	15%	0.149	S	C	.	.	P	Polyproline II helix	trans	-59	156.6	170.1	-22.2	33.6	0	0	0	112	G77 Y79 R492	G77-P498 WeakPolarHBondContact O-CB 3.47Å; G77-P498 VanDerWaalsContact O-CG 3.29Å; G77-P498 WeakPolarHBondContact O-CG 3.35Å; Y79-P498 HydrophobicContact CD2-CB 4.24Å; Y79-P498 HydrophobicContact CE2-CB 3.77Å; R492-P498 VanDerWaalsContact CZ-O 3.3Å; R492-P498 PolarHBondContact NE-O 3.32Å; R492-P498 PolarHBondContact NH2-O 3.28Å
499	P	98.5	Very high	98.5	Very high	16 Å²	16	28.2 Å²	28.2	10%	0.104	16%	0.164	C	C	.	.	P	Polyproline II helix	trans	-58.3	170.8	168	29	-36.3	0	0	0	111	Y79 H319 N489	Y79-P499 HydrophobicContact CD2-CG 4.47Å; Y79-P499 HydrophobicContact CE2-CG 4.09Å; Y79-P499 WeakPolarHBondContact CE2-O 3.39Å; Y79-P499 PolarHBondContact OH-O 3.04Å; H319-P499 HydrophobicContact CB-CB 4.09Å; N489-P499 WeakPolarHBondContact OD1-CA 3.22Å
500	L	98.7	Very high	98.4	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.005	17%	0.174	C	C	.	.			trans	-67.2	-36.9	-179.8	-70.8	167.6	0	0	0	113.3	Y79 L485 I488 N489 L560	Y79-L500 PolarHBondContact OH-O 2.65Å; L485-L500 HydrophobicContact CD2-CD1 4.08Å; I488-L500 HydrophobicContact CB-CD1 4.39Å; I488-L500 HydrophobicContact CG2-CD1 3.94Å; N489-L500 WeakPolarHBondContact OD1-CG 3.39Å; N489-L500 PolarHBondContact OD1-N 2.93Å; L500-L560 HydrophobicContact CD1-CD1 3.95Å; L500-L560 HydrophobicContact CD2-CB 4.08Å; L500-L560 HydrophobicContact CD2-CD1 4.23Å; L500-L560 HydrophobicContact CD2-CD2 4.19Å; L500-L560 HydrophobicContact CD2-CG 4.4Å
501	G	98.7	Very high	98.4	Very high	0 Å²	0	35 Å²	35	0%	0	20%	0.195	C	C	.	.			trans	61.6	-139.5	-174.8	0	0	0	0	0	113.1	G351 L352 T353 L503	G351-G501 VanDerWaalsContact O-CA 3.22Å; G351-G501 WeakPolarHBondContact O-CA 3.29Å; L352-G501 CarbonylContact O-C 3.55Å; T353-G501 WeakPolarHBondContact CA-O 3.31Å; T353-G501 WeakPolarHBondContact CB-O 3.43Å; T353-G501 PolarHBondContact OG1-N 2.9Å; T353-G501 PolarHBondContact OG1-O 3.02Å; G501-L503 PolarHBondContact O-N 3.38Å; G501-L503 VanDerWaalsContact O-N 3.08Å
502	F	98.9	Very high	98.4	Very high	8 Å²	8	32 Å²	32	4%	0.035	18%	0.183	C	C	.	.	S	Bend	trans	-66.9	107.3	176.8	176.3	-138.5	0	0	0	110.9	V65 A348 P383 Y384 Y421 N504 P505	V65-F502 HydrophobicContact CG1-CD1 4.06Å; A348-F502 HydrophobicContact CB-CB 3.71Å; A348-F502 HydrophobicContact CB-CD1 4.32Å; A348-F502 HydrophobicContact CB-CG 4.06Å; P383-F502 WeakPolarHBondContact O-CZ 3.46Å; Y384-F502 HydrophobicContact CD1-CD1 4.49Å; Y384-F502 HydrophobicContact CD1-CE1 4.03Å; Y384-F502 HydrophobicContact CD1-CZ 4.35Å; Y421-F502 HydrophobicContact CE1-CE1 4.37Å; Y421-F502 AromaticContact CE1-CZ 3.83Å; Y421-F502 HydrophobicContact CE1-CZ 3.83Å; F502-N504 HydrophobicContact CE2-CB 3.64Å; F502-N504 HydrophobicContact CZ-CB 3.79Å; F502-P505 HydrophobicContact CD1-CG 3.84Å; F502-P505 VanDerWaalsContact CE1-CD 3.48Å; F502-P505 HydrophobicContact CE1-CG 3.49Å; F502-P505 VanDerWaalsContact CE1-CG 3.49Å; F502-P505 HydrophobicContact CZ-CG 4.1Å
503	L	98.8	Very high	98.5	Very high	4 Å²	4	33.8 Å²	33.8	2%	0.021	20%	0.198	C	C	.	.			trans	-82	-32	-165.1	176.8	62.9	0	0	0	113.9	T386 L485 G501 R506 L507 L560	T386-L503 HydrophobicContact CG2-CD2 4.5Å; L485-L503 HydrophobicContact CD1-CD2 3.67Å; L485-L503 HydrophobicContact CD2-CD2 3.94Å; L485-L503 HydrophobicContact CG-CD2 4.47Å; G501-L503 PolarHBondContact O-N 3.38Å; G501-L503 VanDerWaalsContact O-N 3.08Å; L503-R506 PolarHBondContact O-N 2.98Å; L503-R506 VanDerWaalsContact O-N 3.11Å; L503-L507 HydrophobicContact CG-CB 4.22Å; L503-L507 PolarHBondContact O-N 3.04Å; L503-L560 HydrophobicContact CD1-CD1 4.29Å; L503-L560 HydrophobicContact CD1-CD2 4.19Å
504	N	98.9	Very high	98.4	Very high	0 Å²	0	33 Å²	33	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-54.3	-45.9	-166.4	-61.9	10	0	0	0	113.4	V385 T386 Y421 D451 F502 R506 L507 Y508	V385-N504 PolarHBondContact O-ND2 3.14Å; T386-N504 WeakPolarHBondContact CA-OD1 3.37Å; T386-N504 WeakPolarHBondContact CB-OD1 3.33Å; T386-N504 PolarHBondContact OG1-OD1 3.45Å; Y421-N504 HydrophobicContact CD2-CB 4.22Å; Y421-N504 HydrophobicContact CE1-CB 4.22Å; Y421-N504 HydrophobicContact CE2-CB 3.74Å; Y421-N504 PolarHBondContact OH-ND2 3.05Å; D451-N504 VanDerWaalsContact CG-ND2 3.27Å; D451-N504 PolarHBondContact OD1-ND2 3.49Å; D451-N504 PolarHBondContact OD2-ND2 3Å; F502-N504 HydrophobicContact CE2-CB 3.64Å; F502-N504 HydrophobicContact CZ-CB 3.79Å; N504-R506 VanDerWaalsContact C-N 3.3Å; N504-R506 PolarHBondContact O-N 2.77Å; N504-L507 PolarHBondContact O-N 2.85Å; N504-L507 VanDerWaalsContact O-N 3.14Å; N504-Y508 HydrophobicContact CB-CD2 4.35Å; N504-Y508 HydrophobicContact CB-CE2 4.44Å; N504-Y508 VanDerWaalsContact O-CD2 3.31Å; N504-Y508 WeakPolarHBondContact O-CD2 3.5Å; N504-Y508 PolarHBondContact O-N 2.88Å
505	P	98.9	Very high	98.5	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-57.5	-44.1	-178.9	-27.7	39	0	0	0	112.5	Y421 F502 Q509	Y421-P505 HydrophobicContact CD1-CG 4.05Å; Y421-P505 HydrophobicContact CG-CG 4.46Å; F502-P505 HydrophobicContact CD1-CG 3.84Å; F502-P505 VanDerWaalsContact CE1-CD 3.48Å; F502-P505 HydrophobicContact CE1-CG 3.49Å; F502-P505 VanDerWaalsContact CE1-CG 3.49Å; F502-P505 HydrophobicContact CZ-CG 4.1Å; P505-Q509 WeakPolarHBondContact O-CB 3.3Å; P505-Q509 WeakPolarHBondContact O-CG 3.5Å; P505-Q509 PolarHBondContact O-N 2.89Å; P505-Q509 VanDerWaalsContact O-N 3.12Å
506	R	98.7	Very high	98.5	Very high	1 Å²	1	29.6 Å²	29.6	0%	0.004	17%	0.173	C	C	.	.	H	α-helix	trans	-67.3	-44	176.6	179.1	171.4	179.9	148.6	9.4	112.4	P71 Y76 L503 N504 Y508 Q509 Q510 T559 L560 N562	P71-R506 HydrophobicContact CB-CB 4.5Å; P71-R506 HydrophobicContact CB-CG 4.29Å; P71-R506 HydrophobicContact CG-CB 4Å; P71-R506 HydrophobicContact CG-CG 4.05Å; Y76-R506 WeakPolarHBondContact OH-CD 3.44Å; Y76-R506 PolarHBondContact OH-NH1 2.98Å; L503-R506 PolarHBondContact O-N 2.98Å; L503-R506 VanDerWaalsContact O-N 3.11Å; N504-R506 VanDerWaalsContact C-N 3.3Å; N504-R506 PolarHBondContact O-N 2.77Å; R506-Y508 PolarHBondContact O-N 3.38Å; R506-Q509 PolarHBondContact O-N 3.32Å; R506-Q510 HydrophobicContact CG-CG 4.46Å; R506-Q510 WeakPolarHBondContact O-CB 3.37Å; R506-Q510 VanDerWaalsContact O-CG 3.28Å; R506-Q510 WeakPolarHBondContact O-CG 3.46Å; R506-Q510 PolarHBondContact O-N 3.35Å; R506-T559 PolarHBondContact NH2-O 3.39Å; R506-L560 HydrophobicContact CG-CD2 4.18Å; R506-L560 VanDerWaalsContact NE-CD2 3.29Å; R506-L560 VanDerWaalsContact NH2-CA 3.33Å; R506-N562 PolarHBondContact NH2-O 2.89Å
507	L	98.8	Very high	98.6	Very high	5 Å²	5	29 Å²	29	3%	0.026	15%	0.152	C	C	.	.	H	α-helix	trans	-59.7	-47.5	-178.8	178.1	68.9	0	0	0	112	D451 V452 L503 N504 Q510 H511 G512 L515	D451-L507 HydrophobicContact CB-CD2 4.41Å; V452-L507 HydrophobicContact CG1-CD2 3.4Å; L503-L507 HydrophobicContact CG-CB 4.22Å; L503-L507 PolarHBondContact O-N 3.04Å; N504-L507 PolarHBondContact O-N 2.85Å; N504-L507 VanDerWaalsContact O-N 3.14Å; L507-Q510 CarbonylContact O-C 3.47Å; L507-Q510 PolarHBondContact O-N 3.19Å; L507-H511 PolarHBondContact O-N 3.05Å; L507-G512 PolarHBondContact O-N 3.42Å; L507-L515 HydrophobicContact CD1-CD1 3.79Å
508	Y	98.8	Very high	98.7	Very high	9 Å²	9	25 Å²	25	4%	0.035	14%	0.137	C	C	.	.	H	α-helix	trans	-71.8	-39.4	-179.1	-80.3	-98.2	0	0	0	112.3	Y421 Q422 A425 D451 N504 R506 Q510 H511 W542 W548	Y421-Y508 AromaticContact CD2-CD2 3.66Å; Y421-Y508 HydrophobicContact CD2-CD2 3.66Å; Y421-Y508 HydrophobicContact CD2-CE2 4.07Å; Y421-Y508 AromaticContact CD2-CG 3.92Å; Y421-Y508 HydrophobicContact CD2-CG 3.92Å; Y421-Y508 AromaticContact CE2-CD2 3.88Å; Y421-Y508 HydrophobicContact CE2-CD2 3.88Å; Y421-Y508 AromaticContact CE2-CE2 3.82Å; Y421-Y508 HydrophobicContact CE2-CE2 3.82Å; Y421-Y508 HydrophobicContact CE2-CG 4.49Å; Y421-Y508 WeakPolarHBondContact O-CB 3.11Å; Q422-Y508 HydrophobicContact CB-CD1 3.59Å; Q422-Y508 HydrophobicContact CB-CE1 3.36Å; Q422-Y508 HydrophobicContact CB-CE2 4.42Å; Q422-Y508 HydrophobicContact CB-CG 4.24Å; A425-Y508 HydrophobicContact CB-CD1 3.71Å; A425-Y508 HydrophobicContact CB-CE1 3.72Å; D451-Y508 HydrophobicContact CB-CE2 4.22Å; D451-Y508 PolarHBondContact OD1-OH 2.85Å; N504-Y508 HydrophobicContact CB-CD2 4.35Å; N504-Y508 HydrophobicContact CB-CE2 4.44Å; N504-Y508 VanDerWaalsContact O-CD2 3.31Å; N504-Y508 WeakPolarHBondContact O-CD2 3.5Å; N504-Y508 PolarHBondContact O-N 2.88Å; R506-Y508 PolarHBondContact O-N 3.38Å; Y508-Q510 PolarHBondContact O-N 3.41Å; Y508-H511 PolarHBondContact O-N 3.27Å; Y508-W542 AromaticContact CE1-CD1 3.71Å; Y508-W542 HydrophobicContact CE1-CG 4.13Å; Y508-W542 AromaticContact CE1-NE1 3.93Å; Y508-W542 AromaticContact CZ-CD1 3.81Å; Y508-W542 AromaticContact CZ-NE1 3.71Å; Y508-W542 PolarHBondContact OH-NE1 3.04Å; Y508-W548 AromaticContact CD1-CE2 3.75Å; Y508-W548 AromaticContact CD1-CZ2 3.74Å; Y508-W548 HydrophobicContact CD1-CZ2 3.74Å; Y508-W548 AromaticContact CD1-NE1 3.17Å; Y508-W548 AromaticContact CD2-NE1 3.68Å; Y508-W548 AromaticContact CE1-CE2 3.99Å; Y508-W548 HydrophobicContact CE1-CZ2 4.25Å; Y508-W548 AromaticContact CE1-NE1 3.27Å; Y508-W548 VanDerWaalsContact CE1-NE1 3.27Å; Y508-W548 AromaticContact CE2-NE1 3.8Å; Y508-W548 HydrophobicContact CG-CZ2 4.38Å; Y508-W548 AromaticContact CG-NE1 3.4Å; Y508-W548 AromaticContact CZ-NE1 3.61Å
509	Q	98.6	Very high	98.7	Very high	65 Å²	65	24.9 Å²	24.9	30%	0.304	14%	0.135	S	C	.	.	H	α-helix	trans	-60.8	-31.4	173.1	-75.2	-178.8	25.5	0	0	112.5	D70 N72 P505 R506 H511	D70-Q509 PolarHBondContact OD1-NE2 3.49Å; D70-Q509 PolarHBondContact OD1-OE1 3.01Å; N72-Q509 PolarHBondContact ND2-OE1 2.93Å; P505-Q509 WeakPolarHBondContact O-CB 3.3Å; P505-Q509 WeakPolarHBondContact O-CG 3.5Å; P505-Q509 PolarHBondContact O-N 2.89Å; P505-Q509 VanDerWaalsContact O-N 3.12Å; R506-Q509 PolarHBondContact O-N 3.32Å; Q509-H511 VanDerWaalsContact C-N 3.28Å; Q509-H511 PolarHBondContact O-CE1 2.83Å; Q509-H511 PolarHBondContact O-ND1 2.79Å
510	Q	98.5	Very high	98.7	Very high	46 Å²	46	30.1 Å²	30.1	22%	0.215	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.9	6.3	175	-66.9	-175.1	-18.1	0	0	113.4	R506 L507 Y508 G512 A513 T559	R506-Q510 HydrophobicContact CG-CG 4.46Å; R506-Q510 WeakPolarHBondContact O-CB 3.37Å; R506-Q510 VanDerWaalsContact O-CG 3.28Å; R506-Q510 WeakPolarHBondContact O-CG 3.46Å; R506-Q510 PolarHBondContact O-N 3.35Å; L507-Q510 CarbonylContact O-C 3.47Å; L507-Q510 PolarHBondContact O-N 3.19Å; Y508-Q510 PolarHBondContact O-N 3.41Å; Q510-G512 PolarHBondContact O-N 3.03Å; Q510-A513 HydrophobicContact CB-CB 4.48Å; Q510-A513 WeakPolarHBondContact O-CB 3.37Å; Q510-A513 PolarHBondContact O-N 2.81Å; Q510-T559 PolarHBondContact NE2-O 3.21Å; Q510-T559 PolarHBondContact OE1-O 2.89Å
511	H	98.6	Very high	98.6	Very high	106 Å²	106	31.9 Å²	31.9	49%	0.491	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.4	39.2	178.1	-51.1	74.4	0	0	0	113.1	E424 L507 Y508 Q509 A513 W548	E424-H511 IonicContact OE1-NE2 3.02Å; E424-H511 IonicContact OE2-NE2 2.8Å; L507-H511 PolarHBondContact O-N 3.05Å; Y508-H511 PolarHBondContact O-N 3.27Å; Q509-H511 VanDerWaalsContact C-N 3.28Å; Q509-H511 PolarHBondContact O-CE1 2.83Å; Q509-H511 PolarHBondContact O-ND1 2.79Å; H511-A513 PolarHBondContact O-N 3.49Å; H511-W548 HydrophobicContact CB-CH2 4.04Å; H511-W548 HydrophobicContact CB-CZ3 4.22Å; H511-W548 WeakPolarHBondContact O-CZ3 3.45Å
512	G	98.6	Very high	98.6	Very high	5 Å²	5	33.6 Å²	33.6	5%	0.052	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.1	17.4	-179	0	0	0	0	0	114.8	L507 Q510 G514 L515	L507-G512 PolarHBondContact O-N 3.42Å; Q510-G512 PolarHBondContact O-N 3.03Å; G512-G514 PolarHBondContact O-N 2.98Å; G512-L515 VanDerWaalsContact O-CB 3.27Å; G512-L515 WeakPolarHBondContact O-CB 3.33Å; G512-L515 WeakPolarHBondContact O-CG 3.26Å; G512-L515 PolarHBondContact O-N 2.93Å
513	A	98.6	Very high	98.6	Very high	41 Å²	41	33.2 Å²	33.2	34%	0.339	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	129.9	-174	0	0	0	0	0	112.9	Q510 H511 T559	Q510-A513 HydrophobicContact CB-CB 4.48Å; Q510-A513 WeakPolarHBondContact O-CB 3.37Å; Q510-A513 PolarHBondContact O-N 2.81Å; H511-A513 PolarHBondContact O-N 3.49Å; A513-T559 HydrophobicContact CB-CG2 3.87Å; A513-T559 WeakPolarHBondContact O-CG2 3.34Å; A513-T559 PolarHBondContact O-OG1 3.02Å; A513-T559 VanDerWaalsContact O-OG1 3.1Å
514	G	98.2	Very high	98.6	Very high	17 Å²	17	34.5 Å²	34.5	18%	0.175	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	92.5	-1.6	-175.7	0	0	0	0	0	114.2	G512 N552	G512-G514 PolarHBondContact O-N 2.98Å; G514-N552 WeakPolarHBondContact O-CB 3.44Å; G514-N552 PolarHBondContact O-N 3.27Å
515	L	98.8	Very high	98.6	Very high	25 Å²	25	35.2 Å²	35.2	13%	0.131	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	156.1	168.6	-54.9	-179.9	0	0	0	111.3	V452 F481 L507 G512 W548 T550 P551 L556	V452-L515 HydrophobicContact CG1-CD1 3.87Å; F481-L515 HydrophobicContact CE2-CD2 4.12Å; F481-L515 HydrophobicContact CZ-CD2 4.04Å; L507-L515 HydrophobicContact CD1-CD1 3.79Å; G512-L515 VanDerWaalsContact O-CB 3.27Å; G512-L515 WeakPolarHBondContact O-CB 3.33Å; G512-L515 WeakPolarHBondContact O-CG 3.26Å; G512-L515 PolarHBondContact O-N 2.93Å; L515-W548 HydrophobicContact CD1-CB 3.59Å; L515-T550 CarbonylContact C-O 3.58Å; L515-T550 WeakPolarHBondContact CA-O 3.39Å; L515-T550 WeakPolarHBondContact CB-O 3.27Å; L515-P551 HydrophobicContact CD2-CB 4.23Å; L515-L556 HydrophobicContact CD2-CD1 3.88Å; L515-L556 HydrophobicContact CD2-CD2 3.87Å; L515-L556 HydrophobicContact CD2-CG 4.38Å; L515-L556 HydrophobicContact CG-CD1 4.35Å
516	F	98.7	Very high	98.5	Very high	61 Å²	61	35.3 Å²	35.3	27%	0.268	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	118.4	169.6	172.6	-87.7	0	0	0	108.7	R208 N401 E402 V518 G549 T550	R208-F516 VanDerWaalsContact NH2-CD1 3.3Å; R208-F516 VanDerWaalsContact NH2-CG 3.34Å; N401-F516 HydrophobicContact CB-CZ 4.07Å; E402-F516 HydrophobicContact CB-CD1 4.43Å; E402-F516 HydrophobicContact CB-CE1 4.09Å; F516-V518 HydrophobicContact CD1-CG2 4.02Å; F516-V518 HydrophobicContact CE1-CG2 4.14Å; F516-V518 PolarHBondContact O-N 2.87Å; F516-G549 CarbonylContact O-C 3.43Å; F516-G549 VanDerWaalsContact O-CA 3.27Å; F516-G549 WeakPolarHBondContact O-CA 3.33Å; F516-T550 PolarHBondContact N-O 3.3Å; F516-T550 PolarHBondContact O-N 3.42Å
517	D	98.8	Very high	98.5	Very high	63 Å²	63	43.3 Å²	43.3	34%	0.337	25%	0.245	S	C	.	.	P	Polyproline II helix	trans	-72.7	118	179.4	-176.8	4.9	0	0	0	110.9	T519 G541	D517-T519 WeakPolarHBondContact OD1-CG2 3.15Å; D517-G541 PolarHBondContact OD1-N 3.43Å; D517-G541 PolarHBondContact OD2-N 3.16Å
518	V	98.7	Very high	98.4	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-93.6	119.8	178.6	-179.6	0	0	0	0	107.8	T391 E402 V404 F516 S538 T546 T550	T391-V518 HydrophobicContact CG2-CG1 4.47Å; T391-V518 HydrophobicContact CG2-CG2 3.79Å; E402-V518 HydrophobicContact CB-CG2 4.4Å; V404-V518 HydrophobicContact CG2-CG1 4.28Å; F516-V518 HydrophobicContact CD1-CG2 4.02Å; F516-V518 HydrophobicContact CE1-CG2 4.14Å; F516-V518 PolarHBondContact O-N 2.87Å; V518-S538 WeakPolarHBondContact O-CB 3.16Å; V518-T546 HydrophobicContact CB-CG2 4.1Å; V518-T546 HydrophobicContact CG1-CG2 4Å; V518-T546 HydrophobicContact CG2-CG2 4.47Å; V518-T550 HydrophobicContact CG2-CG2 4Å
519	T	98.4	Very high	98.3	Very high	49 Å²	49	53 Å²	53	30%	0.301	29%	0.292	S	S	.	.			trans	-123.7	4.3	-168.6	52.1	0	0	0	0	113.9	D517 S538 P540	D517-T519 WeakPolarHBondContact OD1-CG2 3.15Å; T519-S538 VanDerWaalsContact C-OG 3.23Å; T519-P540 HydrophobicContact CG2-CG 4.42Å
520	H	98.2	Very high	98.2	Very high	126 Å²	126	55.1 Å²	55.1	58%	0.583	30%	0.302	S	S	*	.	S	Bend	trans	-130.2	128.2	-174.3	-66.3	73.6	0	0	0	111.7	I403 V404 S538	I403-H520 HydrophobicContact CG2-CB 4.05Å; V404-H520 PolarHBondContact N-O 2.93Å; H520-S538 WeakPolarHBondContact CA-OG 3.42Å; H520-S538 PolarHBondContact N-OG 3.02Å; H520-S538 PolarHBondContact O-OG 3.05Å
521	G	98.3	Very high	98.1	Very high	39 Å²	39	53.6 Å²	53.6	40%	0.402	30%	0.296	S	S	.	.			trans	108.4	168.4	175.3	0	0	0	0	0	113.4	C537 S538	G521-C537 WeakPolarHBondContact O-CA 3.48Å; G521-S538 PolarHBondContact N-OG 2.89Å; G521-S538 PolarHBondContact O-N 2.79Å; G521-S538 PolarHBondContact O-OG 2.99Å; G521-S538 VanDerWaalsContact O-OG 3.05Å
522	C	98.7	Very high	98.1	Very high	35 Å²	35	56.1 Å²	56.1	24%	0.236	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	148.4	180	-44.4	0	0	0	0	108.2	F536 C537	C522-F536 WeakPolarHBondContact CA-O 3.38Å; C522-F536 WeakPolarHBondContact CB-O 3.28Å; C522-C537 HydrophobicContact CB-CB 3.93Å; C522-C537 WeakPolarHBondContact CB-SG 3.29Å; C522-C537 WeakPolarHBondContact SG-CB 3.39Å; C522-C537 CovalentContact SG-SG 2.04Å; C522-C537 PolarHBondContact SG-SG 3.21Å
523	H	98.7	Very high	98.1	Very high	1 Å²	1	56.4 Å²	56.4	1%	0.005	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	164	173.5	65.7	-177.2	0	0	0	111.8	A363 V404 Y406 S408 G410 G535 F536 V545	A363-H523 WeakPolarHBondContact CB-NE2 3.22Å; A363-H523 PolarHBondContact N-CE1 2.96Å; A363-H523 PolarHBondContact N-ND1 2.75Å; V404-H523 HydrophobicContact CG1-CB 4.48Å; Y406-H523 CarbonylContact O-C 3.37Å; Y406-H523 WeakPolarHBondContact O-CA 3.26Å; Y406-H523 WeakPolarHBondContact O-CB 3.29Å; S408-H523 WeakPolarHBondContact O-CB 3.33Å; S408-H523 PolarHBondContact O-ND1 2.77Å; G410-H523 PolarHBondContact O-CE1 2.84Å; H523-G535 PolarHBondContact O-N 3.03Å; H523-F536 PolarHBondContact CD2-N 3.29Å; H523-F536 PolarHBondContact CD2-O 2.9Å; H523-F536 AromaticContact CE1-CD2 3.95Å; H523-F536 PolarHBondContact N-O 3.45Å; H523-F536 VanDerWaalsContact N-O 3.14Å; H523-F536 AromaticContact NE2-CD2 3.52Å; H523-F536 PolarHBondContact NE2-N 2.89Å; H523-V545 HydrophobicContact CB-CG1 3.84Å
524	A	98.6	Very high	98	Very high	30 Å²	30	59.6 Å²	59.6	25%	0.248	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	161	-179	0	0	0	0	0	112.7	G362 A363 Y406 G533	G362-A524 CarbonylContact C-O 3.49Å; G362-A524 VanDerWaalsContact CA-O 3.28Å; G362-A524 WeakPolarHBondContact CA-O 3.35Å; A363-A524 PolarHBondContact N-O 2.77Å; Y406-A524 HydrophobicContact CD2-CB 4.17Å; Y406-A524 PolarHBondContact O-N 3.31Å; A524-G533 CarbonylContact C-O 3.58Å; A524-G533 VanDerWaalsContact CA-O 3.28Å; A524-G533 WeakPolarHBondContact CA-O 3.39Å
525	S	98.4	Very high	98.1	Very high	15 Å²	15	59.1 Å²	59.1	11%	0.105	31%	0.313	C	S	.	.			trans	-153.7	-156.3	168.9	-166.2	0	0	0	0	110.6	G364 F374 L527 G533 Q534	G364-S525 PolarHBondContact O-OG 3.24Å; G364-S525 VanDerWaalsContact O-OG 3.05Å; F374-S525 WeakPolarHBondContact CD1-OG 3.23Å; F374-S525 WeakPolarHBondContact CE1-OG 3.39Å; S525-L527 PolarHBondContact O-N 2.76Å; S525-G533 PolarHBondContact N-O 3.03Å; S525-Q534 VanDerWaalsContact CB-C 3.47Å; S525-Q534 WeakPolarHBondContact CB-O 3.5Å
526	C	97.7	Very high	98.1	Very high	3 Å²	3	57.9 Å²	57.9	2%	0.02	31%	0.307	C	S	.	.			trans	-49.9	123.2	175.7	-60.3	0	0	0	0	111.9	C365 D528 V531 G533	C365-C526 WeakPolarHBondContact CA-SG 3.42Å; C365-C526 HydrophobicContact CB-CB 3.97Å; C365-C526 WeakPolarHBondContact CB-SG 3.45Å; C365-C526 WeakPolarHBondContact SG-CA 3.27Å; C365-C526 WeakPolarHBondContact SG-CB 3.37Å; C365-C526 CovalentContact SG-SG 2.03Å; C365-C526 PolarHBondContact SG-SG 3.3Å; C526-D528 HydrophobicContact CB-CB 4.3Å; C526-D528 WeakPolarHBondContact CB-OD2 3.23Å; C526-D528 PolarHBondContact O-N 2.66Å; C526-V531 HydrophobicContact CB-CG2 3.93Å; C526-V531 WeakPolarHBondContact O-CG2 3.35Å; C526-G533 WeakPolarHBondContact O-CA 3.28Å; C526-G533 PolarHBondContact O-N 3.32Å
527	L	97.4	Very high	98.1	Very high	168 Å²	168	55.4 Å²	55.4	88%	0.88	30%	0.297	S	S	*	.			trans	-76	72.6	166.6	-63.3	179.6	0	0	0	109	S525	S525-L527 PolarHBondContact O-N 2.76Å
528	D	96.7	Very high	98.1	Very high	30 Å²	30	53 Å²	53	16%	0.16	29%	0.285	C	S	.	.	S	Bend	trans	-127.6	-178.9	-179.4	70.2	28.7	0	0	0	112.3	H372 Y441 C526 E530 V531 E532	H372-D528 IonicContact CE1-OD2 3.92Å; H372-D528 IonicContact CG-OD2 3.55Å; H372-D528 IonicContact ND1-OD2 2.8Å; H372-D528 PolarHBondContact ND1-OD2 2.77Å; Y441-D528 PolarHBondContact OH-OD2 2.74Å; C526-D528 HydrophobicContact CB-CB 4.3Å; C526-D528 WeakPolarHBondContact CB-OD2 3.23Å; C526-D528 PolarHBondContact O-N 2.66Å; D528-E530 VanDerWaalsContact C-N 3.34Å; D528-E530 PolarHBondContact OD1-N 3.03Å; D528-V531 WeakPolarHBondContact OD1-CG2 3.33Å; D528-V531 PolarHBondContact OD1-N 3.18Å; D528-E532 WeakPolarHBondContact O-CA 3.42Å; D528-E532 PolarHBondContact O-N 2.88Å
529	E	96.3	Very high	98.1	Very high	189 Å²	189	53.9 Å²	53.9	88%	0.883	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-12.2	-176.7	63.6	-173.9	177.3	0	0	114.7
530	E	97.1	Very high	98.1	Very high	108 Å²	108	56.5 Å²	56.5	51%	0.505	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.5	-40.5	-172.8	-161.5	177.3	159.7	0	0	112	P438 Y441 D528	P438-E530 WeakPolarHBondContact CB-OE1 3.11Å; P438-E530 HydrophobicContact CG-CG 3.93Å; P438-E530 WeakPolarHBondContact CG-OE1 3.28Å; Y441-E530 HydrophobicContact CE2-CB 4.26Å; Y441-E530 VanDerWaalsContact CE2-CD 3.46Å; Y441-E530 HydrophobicContact CE2-CG 4.1Å; Y441-E530 WeakPolarHBondContact CE2-OE2 3.35Å; Y441-E530 WeakPolarHBondContact OH-CB 3.33Å; D528-E530 VanDerWaalsContact C-N 3.34Å; D528-E530 PolarHBondContact OD1-N 3.03Å
531	V	97.8	Very high	98.1	Very high	15 Å²	15	51.2 Å²	51.2	9%	0.091	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.2	-2.4	179.4	-58.3	0	0	0	0	113.9	F374 P438 Y441 C526 D528 G533 Q534	F374-V531 HydrophobicContact CE1-CG1 4.46Å; P438-V531 HydrophobicContact CG-CG1 4.18Å; Y441-V531 HydrophobicContact CD1-CG1 3.75Å; Y441-V531 HydrophobicContact CD1-CG2 4.33Å; Y441-V531 HydrophobicContact CD2-CG1 4.16Å; Y441-V531 HydrophobicContact CE1-CB 4.29Å; Y441-V531 HydrophobicContact CE1-CG1 3.54Å; Y441-V531 HydrophobicContact CE1-CG2 3.72Å; Y441-V531 HydrophobicContact CE2-CG1 4.01Å; Y441-V531 HydrophobicContact CG-CG1 4.05Å; C526-V531 HydrophobicContact CB-CG2 3.93Å; C526-V531 WeakPolarHBondContact O-CG2 3.35Å; D528-V531 WeakPolarHBondContact OD1-CG2 3.33Å; D528-V531 PolarHBondContact OD1-N 3.18Å; V531-G533 PolarHBondContact O-N 2.95Å; V531-Q534 WeakPolarHBondContact CB-O 3.47Å; V531-Q534 PolarHBondContact O-N 3.1Å
532	E	97.8	Very high	98.1	Very high	159 Å²	159	49.9 Å²	49.9	74%	0.743	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	50	35.3	169.9	-59.3	-173.4	177.9	0	0	114.6	D528	D528-E532 WeakPolarHBondContact O-CA 3.42Å; D528-E532 PolarHBondContact O-N 2.88Å
533	G	97.7	Very high	98.1	Very high	11 Å²	11	48.2 Å²	48.2	11%	0.113	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	83.1	5.2	179.8	0	0	0	0	0	115.8	A524 S525 C526 V531	A524-G533 CarbonylContact C-O 3.58Å; A524-G533 VanDerWaalsContact CA-O 3.28Å; A524-G533 WeakPolarHBondContact CA-O 3.39Å; S525-G533 PolarHBondContact N-O 3.03Å; C526-G533 WeakPolarHBondContact O-CA 3.28Å; C526-G533 PolarHBondContact O-N 3.32Å; V531-G533 PolarHBondContact O-N 2.95Å
534	Q	98.3	Very high	98.1	Very high	108 Å²	108	48.1 Å²	48.1	51%	0.505	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	141	-179.9	-61	-170.6	16.9	0	0	111.9	S525 V531	S525-Q534 VanDerWaalsContact CB-C 3.47Å; S525-Q534 WeakPolarHBondContact CB-O 3.5Å; V531-Q534 WeakPolarHBondContact CB-O 3.47Å; V531-Q534 PolarHBondContact O-N 3.1Å
535	G	98.6	Very high	98.1	Very high	6 Å²	6	46.7 Å²	46.7	6%	0.062	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	-132.7	169.6	0	0	0	0	0	110.9	H523	H523-G535 PolarHBondContact O-N 3.03Å
536	F	98.9	Very high	98.2	Very high	0 Å²	0	46 Å²	46	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	158.6	171.1	-56.4	-79	0	0	0	112.3	F374 F412 F429 P437 F442 C522 H523 P544 V545	F374-F536 HydrophobicContact CD2-CD2 4.28Å; F374-F536 AromaticContact CD2-CE2 3.46Å; F374-F536 HydrophobicContact CD2-CE2 3.46Å; F374-F536 VanDerWaalsContact CD2-CE2 3.46Å; F374-F536 AromaticContact CD2-CZ 3.69Å; F374-F536 HydrophobicContact CD2-CZ 3.69Å; F374-F536 HydrophobicContact CE2-CD2 4.07Å; F374-F536 HydrophobicContact CE2-CE1 4.19Å; F374-F536 AromaticContact CE2-CE2 3.56Å; F374-F536 HydrophobicContact CE2-CE2 3.56Å; F374-F536 AromaticContact CE2-CZ 3.63Å; F374-F536 HydrophobicContact CE2-CZ 3.63Å; F412-F536 HydrophobicContact CD2-CE1 4.15Å; F412-F536 AromaticContact CD2-CE2 3.99Å; F412-F536 HydrophobicContact CD2-CE2 3.99Å; F412-F536 AromaticContact CD2-CZ 3.51Å; F412-F536 HydrophobicContact CD2-CZ 3.51Å; F412-F536 HydrophobicContact CE2-CD1 4.46Å; F412-F536 AromaticContact CE2-CE1 3.72Å; F412-F536 HydrophobicContact CE2-CE1 3.72Å; F412-F536 HydrophobicContact CE2-CE2 4.18Å; F412-F536 AromaticContact CE2-CZ 3.56Å; F412-F536 HydrophobicContact CE2-CZ 3.56Å; F429-F536 HydrophobicContact CE1-CD1 4.13Å; F429-F536 AromaticContact CZ-CD1 3.98Å; F429-F536 HydrophobicContact CZ-CD1 3.98Å; P437-F536 HydrophobicContact CG-CD1 3.75Å; P437-F536 HydrophobicContact CG-CE1 3.94Å; P437-F536 HydrophobicContact CG-CG 4.31Å; F442-F536 HydrophobicContact CB-CZ 3.8Å; F442-F536 HydrophobicContact CD1-CE1 4.05Å; F442-F536 AromaticContact CD1-CZ 3.97Å; F442-F536 HydrophobicContact CD1-CZ 3.97Å; F442-F536 HydrophobicContact CD2-CE1 4.17Å; F442-F536 AromaticContact CD2-CZ 3.88Å; F442-F536 HydrophobicContact CD2-CZ 3.88Å; F442-F536 HydrophobicContact CE1-CE1 4.17Å; F442-F536 HydrophobicContact CE2-CE1 4.28Å; F442-F536 HydrophobicContact CE2-CZ 4.44Å; F442-F536 HydrophobicContact CG-CE1 4.05Å; F442-F536 AromaticContact CG-CZ 3.61Å; F442-F536 HydrophobicContact CG-CZ 3.61Å; F442-F536 HydrophobicContact CZ-CE1 4.29Å; C522-F536 WeakPolarHBondContact CA-O 3.38Å; C522-F536 WeakPolarHBondContact CB-O 3.28Å; H523-F536 PolarHBondContact CD2-N 3.29Å; H523-F536 PolarHBondContact CD2-O 2.9Å; H523-F536 AromaticContact CE1-CD2 3.95Å; H523-F536 PolarHBondContact N-O 3.45Å; H523-F536 VanDerWaalsContact N-O 3.14Å; H523-F536 AromaticContact NE2-CD2 3.52Å; H523-F536 PolarHBondContact NE2-N 2.89Å; F536-P544 HydrophobicContact CB-CG 3.59Å; F536-P544 HydrophobicContact CD1-CG 3.78Å; F536-P544 HydrophobicContact CD2-CB 4.21Å; F536-P544 HydrophobicContact CD2-CG 3.89Å; F536-P544 HydrophobicContact CE1-CG 4.43Å; F536-P544 HydrophobicContact CG-CB 4.28Å; F536-P544 HydrophobicContact CG-CG 3.46Å; F536-P544 VanDerWaalsContact CG-CG 3.46Å; F536-V545 HydrophobicContact CB-CG2 3.82Å; F536-V545 VanDerWaalsContact O-CG2 3.3Å; F536-V545 WeakPolarHBondContact O-CG2 3.38Å
537	C	98.8	Very high	98.2	Very high	9 Å²	9	45.9 Å²	45.9	6%	0.061	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	146.1	174.4	-60.5	0	0	0	0	111.1	H435 G521 C522	H435-C537 HydrophobicContact CB-CB 4Å; G521-C537 WeakPolarHBondContact O-CA 3.48Å; C522-C537 HydrophobicContact CB-CB 3.93Å; C522-C537 WeakPolarHBondContact CB-SG 3.29Å; C522-C537 WeakPolarHBondContact SG-CB 3.39Å; C522-C537 CovalentContact SG-SG 2.04Å; C522-C537 PolarHBondContact SG-SG 3.21Å
538	S	98.8	Very high	98.3	Very high	12 Å²	12	39.1 Å²	39.1	8%	0.084	21%	0.208	C	C	.	.			trans	-69.7	156.8	171.9	64.1	0	0	0	0	111.9	V404 V518 T519 H520 G521 D543	V404-S538 WeakPolarHBondContact CG2-OG 3.36Å; V518-S538 WeakPolarHBondContact O-CB 3.16Å; T519-S538 VanDerWaalsContact C-OG 3.23Å; H520-S538 WeakPolarHBondContact CA-OG 3.42Å; H520-S538 PolarHBondContact N-OG 3.02Å; H520-S538 PolarHBondContact O-OG 3.05Å; G521-S538 PolarHBondContact N-OG 2.89Å; G521-S538 PolarHBondContact O-N 2.79Å; G521-S538 PolarHBondContact O-OG 2.99Å; G521-S538 VanDerWaalsContact O-OG 3.05Å; S538-D543 VanDerWaalsContact CA-CG 3.45Å; S538-D543 WeakPolarHBondContact CA-OD2 3.06Å; S538-D543 WeakPolarHBondContact CB-OD2 3.38Å
539	G	98.3	Very high	98.4	Very high	18 Å²	18	37.7 Å²	37.7	19%	0.186	20%	0.2	C	C	.	.			trans	-169.9	177.5	179.4	0	0	0	0	0	111.9	G541 D543	G539-G541 PolarHBondContact O-N 3.01Å; G539-D543 PolarHBondContact N-OD2 3.23Å; G539-D543 VanDerWaalsContact N-OD2 3.15Å
540	P	98.6	Very high	98.5	Very high	104 Å²	104	28.8 Å²	28.8	68%	0.675	16%	0.159	S	C	*	.	S	Bend	trans	-56.6	122.9	-172.7	-25.9	34.4	0	0	0	113.9	T519	T519-P540 HydrophobicContact CG2-CG 4.42Å
541	G	98.6	Very high	98.6	Very high	15 Å²	15	23.7 Å²	23.7	16%	0.155	14%	0.135	C	C	.	.	S	Bend	trans	95	-132.4	179.5	0	0	0	0	0	112.8	D517 G539	D517-G541 PolarHBondContact OD1-N 3.43Å; D517-G541 PolarHBondContact OD2-N 3.16Å; G539-G541 PolarHBondContact O-N 3.01Å
542	W	98.9	Very high	98.6	Very high	11 Å²	11	25.5 Å²	25.5	4%	0.042	14%	0.144	C	C	.	.			trans	-89.4	136.6	178.2	178.6	89.1	0	0	0	110.6	A425 V426 F429 A448 P450 Y508 P544 G547 W548	A425-W542 HydrophobicContact CB-CB 3.87Å; A425-W542 HydrophobicContact CB-CD2 4.35Å; A425-W542 HydrophobicContact CB-CG 4.05Å; V426-W542 HydrophobicContact CB-CZ3 4.31Å; V426-W542 HydrophobicContact CG2-CE3 4.17Å; V426-W542 HydrophobicContact CG2-CH2 3.9Å; V426-W542 HydrophobicContact CG2-CZ2 4.41Å; V426-W542 HydrophobicContact CG2-CZ3 3.74Å; F429-W542 HydrophobicContact CB-CE3 3.94Å; F429-W542 HydrophobicContact CB-CZ3 3.93Å; F429-W542 HydrophobicContact CD1-CZ3 4.18Å; F429-W542 HydrophobicContact CG-CE3 4.4Å; F429-W542 HydrophobicContact CG-CZ3 4.05Å; A448-W542 HydrophobicContact CB-CH2 3.35Å; A448-W542 HydrophobicContact CB-CZ2 3.82Å; A448-W542 HydrophobicContact CB-CZ3 4.34Å; P450-W542 PolarHBondContact O-NE1 3.15Å; Y508-W542 AromaticContact CE1-CD1 3.71Å; Y508-W542 HydrophobicContact CE1-CG 4.13Å; Y508-W542 AromaticContact CE1-NE1 3.93Å; Y508-W542 AromaticContact CZ-CD1 3.81Å; Y508-W542 AromaticContact CZ-NE1 3.71Å; Y508-W542 PolarHBondContact OH-NE1 3.04Å; W542-P544 HydrophobicContact CH2-CB 3.79Å; W542-P544 HydrophobicContact CH2-CG 4.39Å; W542-P544 HydrophobicContact CZ2-CB 4.35Å; W542-G547 WeakPolarHBondContact CA-O 3.36Å; W542-G547 VanDerWaalsContact CD1-C 3.41Å; W542-G547 VanDerWaalsContact CD1-CA 3.5Å; W542-W548 HydrophobicContact CB-CD2 3.92Å; W542-W548 HydrophobicContact CB-CE3 4Å; W542-W548 HydrophobicContact CB-CH2 4.15Å; W542-W548 HydrophobicContact CB-CZ2 4.07Å; W542-W548 HydrophobicContact CB-CZ3 4.11Å; W542-W548 AromaticContact CD1-CD1 3.82Å; W542-W548 AromaticContact CD1-NE1 3.85Å
543	D	98.9	Very high	98.7	Very high	0 Å²	0	18 Å²	18	0%	0	11%	0.109	C	C	.	.	B	Isolated β-bridge	trans	-138.4	157.5	171.8	62.7	64.5	0	0	0	112.7	F429 S538 G539 V545 T546 G547	F429-D543 HydrophobicContact CD2-CB 4.1Å; F429-D543 HydrophobicContact CE2-CB 4.12Å; S538-D543 VanDerWaalsContact CA-CG 3.45Å; S538-D543 WeakPolarHBondContact CA-OD2 3.06Å; S538-D543 WeakPolarHBondContact CB-OD2 3.38Å; G539-D543 PolarHBondContact N-OD2 3.23Å; G539-D543 VanDerWaalsContact N-OD2 3.15Å; D543-V545 PolarHBondContact O-N 2.85Å; D543-V545 WeakPolarHBondContact OD1-CA 3.48Å; D543-V545 WeakPolarHBondContact OD1-CB 2.96Å; D543-V545 PolarHBondContact OD1-N 2.79Å; D543-T546 PolarHBondContact OD1-N 3.43Å; D543-T546 PolarHBondContact OD1-OG1 3.02Å; D543-T546 PolarHBondContact OD2-OG1 3.07Å; D543-G547 PolarHBondContact N-O 2.04Å; D543-G547 VanDerWaalsContact N-O 3.15Å; D543-G547 WeakPolarHBondContact O-CA 3.09Å; D543-G547 PolarHBondContact O-N 2.93Å
544	P	98.9	Very high	98.7	Very high	0 Å²	0	20 Å²	20	0%	0	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	33.6	179	35.6	-37.5	0	0	0	112.8	G410 G411 F412 F429 Y449 F536 W542	G410-P544 CarbonylContact C-O 3.55Å; G410-P544 VanDerWaalsContact CA-O 3.24Å; G410-P544 WeakPolarHBondContact CA-O 3.28Å; G411-P544 PolarHBondContact N-O 2.91Å; F412-P544 HydrophobicContact CE2-CB 4.07Å; F412-P544 HydrophobicContact CE2-CG 4.1Å; F429-P544 HydrophobicContact CD1-CG 4.28Å; F429-P544 HydrophobicContact CE1-CG 3.6Å; F429-P544 HydrophobicContact CE2-CG 4.08Å; F429-P544 HydrophobicContact CZ-CG 3.49Å; F429-P544 VanDerWaalsContact CZ-CG 3.49Å; Y449-P544 CarbonylContact O-C 3.52Å; Y449-P544 VanDerWaalsContact O-CA 3.26Å; Y449-P544 WeakPolarHBondContact O-CA 3.17Å; F536-P544 HydrophobicContact CB-CG 3.59Å; F536-P544 HydrophobicContact CD1-CG 3.78Å; F536-P544 HydrophobicContact CD2-CB 4.21Å; F536-P544 HydrophobicContact CD2-CG 3.89Å; F536-P544 HydrophobicContact CE1-CG 4.43Å; F536-P544 HydrophobicContact CG-CB 4.28Å; F536-P544 HydrophobicContact CG-CG 3.46Å; F536-P544 VanDerWaalsContact CG-CG 3.46Å; W542-P544 HydrophobicContact CH2-CB 3.79Å; W542-P544 HydrophobicContact CH2-CG 4.39Å; W542-P544 HydrophobicContact CZ2-CB 4.35Å
545	V	98.9	Very high	98.8	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-127.2	-42.2	174.1	-171.7	0	0	0	0	111.5	V404 S408 P450 H523 F536 D543	V404-V545 HydrophobicContact CB-CG1 4.23Å; V404-V545 HydrophobicContact CG1-CG1 3.47Å; V404-V545 VanDerWaalsContact CG1-CG1 3.47Å; V404-V545 HydrophobicContact CG2-CB 4.38Å; V404-V545 HydrophobicContact CG2-CG1 3.69Å; S408-V545 PolarHBondContact OG-O 2.8Å; P450-V545 VanDerWaalsContact CG-C 3.49Å; P450-V545 VanDerWaalsContact CG-O 3.25Å; P450-V545 WeakPolarHBondContact CG-O 3.37Å; H523-V545 HydrophobicContact CB-CG1 3.84Å; F536-V545 HydrophobicContact CB-CG2 3.82Å; F536-V545 VanDerWaalsContact O-CG2 3.3Å; F536-V545 WeakPolarHBondContact O-CG2 3.38Å; D543-V545 PolarHBondContact O-N 2.85Å; D543-V545 WeakPolarHBondContact OD1-CA 3.48Å; D543-V545 WeakPolarHBondContact OD1-CB 2.96Å; D543-V545 PolarHBondContact OD1-N 2.79Å
546	T	98.9	Very high	98.8	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-128.9	0.1	-178	63.8	0	0	0	0	113.5	T391 V404 V452 A453 V518 D543 W548 G549	T391-T546 HydrophobicContact CG2-CG2 4.12Å; V404-T546 HydrophobicContact CG2-CG2 3.94Å; V452-T546 CarbonylContact C-O 3.17Å; A453-T546 HydrophobicContact CB-CG2 4.26Å; A453-T546 WeakPolarHBondContact CB-O 3.46Å; A453-T546 PolarHBondContact N-O 2.9Å; V518-T546 HydrophobicContact CB-CG2 4.1Å; V518-T546 HydrophobicContact CG1-CG2 4Å; V518-T546 HydrophobicContact CG2-CG2 4.47Å; D543-T546 PolarHBondContact OD1-N 3.43Å; D543-T546 PolarHBondContact OD1-OG1 3.02Å; D543-T546 PolarHBondContact OD2-OG1 3.07Å; T546-W548 PolarHBondContact O-N 3.15Å; T546-G549 WeakPolarHBondContact O-CA 3.4Å; T546-G549 PolarHBondContact O-N 2.95Å
547	G	98.9	Very high	98.7	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	11%	0.111	C	C	.	.	B	Isolated β-bridge	trans	65.8	-132.7	179.9	0	0	0	0	0	110	P450 W542 D543 G549	P450-G547 WeakPolarHBondContact O-CA 3.05Å; W542-G547 WeakPolarHBondContact CA-O 3.36Å; W542-G547 VanDerWaalsContact CD1-C 3.41Å; W542-G547 VanDerWaalsContact CD1-CA 3.5Å; D543-G547 PolarHBondContact N-O 2.04Å; D543-G547 VanDerWaalsContact N-O 3.15Å; D543-G547 WeakPolarHBondContact O-CA 3.09Å; D543-G547 PolarHBondContact O-N 2.93Å; G547-G549 PolarHBondContact O-N 2.87Å
548	W	98.9	Very high	98.7	Very high	27 Å²	27	24.5 Å²	24.5	10%	0.102	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-3.5	171.7	-69.4	106.3	0	0	0	114	A425 D451 Y508 H511 L515 W542 T546	A425-W548 HydrophobicContact CB-CH2 4.18Å; A425-W548 HydrophobicContact CB-CZ2 3.74Å; D451-W548 PolarHBondContact O-N 3.32Å; Y508-W548 AromaticContact CD1-CE2 3.75Å; Y508-W548 AromaticContact CD1-CZ2 3.74Å; Y508-W548 HydrophobicContact CD1-CZ2 3.74Å; Y508-W548 AromaticContact CD1-NE1 3.17Å; Y508-W548 AromaticContact CD2-NE1 3.68Å; Y508-W548 AromaticContact CE1-CE2 3.99Å; Y508-W548 HydrophobicContact CE1-CZ2 4.25Å; Y508-W548 AromaticContact CE1-NE1 3.27Å; Y508-W548 VanDerWaalsContact CE1-NE1 3.27Å; Y508-W548 AromaticContact CE2-NE1 3.8Å; Y508-W548 HydrophobicContact CG-CZ2 4.38Å; Y508-W548 AromaticContact CG-NE1 3.4Å; Y508-W548 AromaticContact CZ-NE1 3.61Å; H511-W548 HydrophobicContact CB-CH2 4.04Å; H511-W548 HydrophobicContact CB-CZ3 4.22Å; H511-W548 WeakPolarHBondContact O-CZ3 3.45Å; L515-W548 HydrophobicContact CD1-CB 3.59Å; W542-W548 HydrophobicContact CB-CD2 3.92Å; W542-W548 HydrophobicContact CB-CE3 4Å; W542-W548 HydrophobicContact CB-CH2 4.15Å; W542-W548 HydrophobicContact CB-CZ2 4.07Å; W542-W548 HydrophobicContact CB-CZ3 4.11Å; W542-W548 AromaticContact CD1-CD1 3.82Å; W542-W548 AromaticContact CD1-NE1 3.85Å; T546-W548 PolarHBondContact O-N 3.15Å
549	G	98.8	Very high	98.7	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	15%	0.147	C	C	.	.			trans	99.3	-154.3	177.1	0	0	0	0	0	115	A453 F516 T546 G547	A453-G549 PolarHBondContact N-O 3.29Å; F516-G549 CarbonylContact O-C 3.43Å; F516-G549 VanDerWaalsContact O-CA 3.27Å; F516-G549 WeakPolarHBondContact O-CA 3.33Å; T546-G549 WeakPolarHBondContact O-CA 3.4Å; T546-G549 PolarHBondContact O-N 2.95Å; G547-G549 PolarHBondContact O-N 2.87Å
550	T	98.9	Very high	98.7	Very high	1 Å²	1	24.7 Å²	24.7	1%	0.006	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	154.7	-161.5	72.9	0	0	0	0	114.1	T391 E402 A453 L515 F516 V518 N552	T391-T550 HydrophobicContact CG2-CG2 3.55Å; E402-T550 WeakPolarHBondContact OE1-CG2 3.29Å; E402-T550 WeakPolarHBondContact OE2-CB 3.37Å; E402-T550 PolarHBondContact OE2-OG1 3.25Å; A453-T550 HydrophobicContact CB-CG2 4.1Å; A453-T550 VanDerWaalsContact O-CA 3.28Å; A453-T550 WeakPolarHBondContact O-CA 3.42Å; L515-T550 CarbonylContact C-O 3.58Å; L515-T550 WeakPolarHBondContact CA-O 3.39Å; L515-T550 WeakPolarHBondContact CB-O 3.27Å; F516-T550 PolarHBondContact N-O 3.3Å; F516-T550 PolarHBondContact O-N 3.42Å; V518-T550 HydrophobicContact CG2-CG2 4Å; T550-N552 PolarHBondContact O-N 3.1Å
551	P	98.6	Very high	98.4	Very high	1 Å²	1	22.2 Å²	22.2	1%	0.006	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	120.2	-167.5	31.2	-34.6	0	0	0	113	Y209 A453 F481 L484 L515 L556	Y209-P551 VanDerWaalsContact CB-O 3.25Å; Y209-P551 WeakPolarHBondContact CB-O 3.4Å; Y209-P551 HydrophobicContact CD1-CG 4.1Å; Y209-P551 WeakPolarHBondContact CD1-O 3.02Å; Y209-P551 HydrophobicContact CD2-CG 4.19Å; Y209-P551 HydrophobicContact CE1-CG 4.32Å; Y209-P551 HydrophobicContact CE2-CG 4.39Å; Y209-P551 HydrophobicContact CG-CG 4.05Å; A453-P551 WeakPolarHBondContact O-CD 3.21Å; F481-P551 HydrophobicContact CD2-CB 4.18Å; F481-P551 HydrophobicContact CD2-CG 3.76Å; F481-P551 HydrophobicContact CE2-CB 3.82Å; F481-P551 HydrophobicContact CE2-CG 3.88Å; F481-P551 HydrophobicContact CZ-CB 4.39Å; L484-P551 HydrophobicContact CD2-CB 3.74Å; L484-P551 HydrophobicContact CD2-CG 3.8Å; L515-P551 HydrophobicContact CD2-CB 4.23Å; P551-L556 HydrophobicContact CB-CD2 4.04Å
552	N	98.7	Very high	97.8	Very high	54 Å²	54	26.2 Å²	26.2	29%	0.289	14%	0.137	S	C	.	.			trans	-94.4	94	161.2	177.3	8.6	0	0	0	108.7	N210 G514 T550 P554 A555 L556	N210-N552 PolarHBondContact ND2-OD1 2.87Å; G514-N552 WeakPolarHBondContact O-CB 3.44Å; G514-N552 PolarHBondContact O-N 3.27Å; T550-N552 PolarHBondContact O-N 3.1Å; N552-P554 WeakPolarHBondContact OD1-CD 3.45Å; N552-P554 WeakPolarHBondContact OD1-CG 3.16Å; N552-A555 HydrophobicContact CB-CB 4.23Å; N552-A555 PolarHBondContact O-N 3.25Å; N552-L556 PolarHBondContact O-N 2.03Å
553	F	98.8	Very high	96.7	Very high	2 Å²	2	29.9 Å²	29.9	1%	0.009	16%	0.163	C	C	.	.	H	α-helix	trans	-44.5	-56	-168.3	177	-103.7	0	0	0	115.2	Y209 L211 D215 L484 L487 I488 H491 A555 L556 L557	Y209-F553 WeakPolarHBondContact O-CB 3.45Å; Y209-F553 PolarHBondContact O-N 3.19Å; L211-F553 HydrophobicContact CD2-CB 3.91Å; L211-F553 HydrophobicContact CD2-CD1 3.71Å; L211-F553 HydrophobicContact CD2-CD2 3.79Å; L211-F553 HydrophobicContact CD2-CE1 4.18Å; L211-F553 HydrophobicContact CD2-CE2 4.24Å; L211-F553 HydrophobicContact CD2-CG 3.5Å; L211-F553 VanDerWaalsContact CD2-CG 3.5Å; L211-F553 HydrophobicContact CD2-CZ 4.42Å; L211-F553 HydrophobicContact CG-CB 4.23Å; L211-F553 HydrophobicContact CG-CG 4.34Å; D215-F553 HydrophobicContact CB-CD1 4.49Å; D215-F553 HydrophobicContact CB-CE1 4.07Å; D215-F553 WeakPolarHBondContact OD1-CE1 3.41Å; L484-F553 HydrophobicContact CD2-CB 3.83Å; L484-F553 HydrophobicContact CD2-CD2 4.21Å; L484-F553 HydrophobicContact CD2-CG 4.47Å; L484-F553 HydrophobicContact CG-CD2 4.47Å; L487-F553 HydrophobicContact CB-CE2 4.06Å; L487-F553 HydrophobicContact CB-CZ 4.49Å; L487-F553 HydrophobicContact CD2-CD2 4.39Å; L487-F553 HydrophobicContact CD2-CE1 4.13Å; L487-F553 HydrophobicContact CD2-CE2 3.58Å; L487-F553 HydrophobicContact CD2-CZ 3.43Å; L487-F553 VanDerWaalsContact CD2-CZ 3.43Å; L487-F553 HydrophobicContact CG-CE2 3.81Å; L487-F553 HydrophobicContact CG-CZ 3.74Å; I488-F553 HydrophobicContact CG1-CD2 4.33Å; I488-F553 HydrophobicContact CG1-CE2 3.85Å; H491-F553 AromaticContact NE2-CZ 3.98Å; F553-A555 VanDerWaalsContact C-N 3.27Å; F553-A555 PolarHBondContact O-N 3.31Å; F553-L556 PolarHBondContact O-N 3.21Å; F553-L557 HydrophobicContact CE1-CD2 4.17Å; F553-L557 HydrophobicContact CZ-CD2 4.04Å; F553-L557 VanDerWaalsContact O-CB 3.25Å; F553-L557 WeakPolarHBondContact O-CB 3.18Å; F553-L557 PolarHBondContact O-N 3.28Å
554	P	98.6	Very high	96.6	Very high	53 Å²	53	31.4 Å²	31.4	34%	0.344	17%	0.171	S	C	.	.	H	α-helix	trans	-66.5	-27.1	-176.9	26	-36.3	0	0	0	113.6	N210 N552 K558	N210-P554 HydrophobicContact CB-CG 3.91Å; N552-P554 WeakPolarHBondContact OD1-CD 3.45Å; N552-P554 WeakPolarHBondContact OD1-CG 3.16Å; P554-K558 WeakPolarHBondContact O-CG 2.98Å
555	A	98.6	Very high	96.5	Very high	29 Å²	29	33.1 Å²	33.1	24%	0.24	18%	0.18	C	C	.	.	H	α-helix	trans	-77.8	-47.8	175.6	0	0	0	0	0	110.5	N552 F553 L557 K558 T559	N552-A555 HydrophobicContact CB-CB 4.23Å; N552-A555 PolarHBondContact O-N 3.25Å; F553-A555 VanDerWaalsContact C-N 3.27Å; F553-A555 PolarHBondContact O-N 3.31Å; A555-L557 PolarHBondContact O-N 2.92Å; A555-K558 WeakPolarHBondContact O-CB 3.36Å; A555-K558 PolarHBondContact O-N 2.93Å; A555-T559 PolarHBondContact O-N 2.88Å
556	L	98.6	Very high	96.3	Very high	3 Å²	3	34.9 Å²	34.9	2%	0.016	19%	0.19	C	C	.	.	H	α-helix	trans	-62.2	-39.6	177.4	-174.1	62.7	0	0	0	112.4	F481 L485 I488 L515 P551 N552 F553 K558 T559 L560	F481-L556 HydrophobicContact CZ-CD2 4.4Å; L485-L556 HydrophobicContact CD2-CD2 4.47Å; I488-L556 HydrophobicContact CD1-CB 4.37Å; I488-L556 HydrophobicContact CD1-CD2 3.88Å; I488-L556 HydrophobicContact CD1-CG 3.8Å; L515-L556 HydrophobicContact CD2-CD1 3.88Å; L515-L556 HydrophobicContact CD2-CD2 3.87Å; L515-L556 HydrophobicContact CD2-CG 4.38Å; L515-L556 HydrophobicContact CG-CD1 4.35Å; P551-L556 HydrophobicContact CB-CD2 4.04Å; N552-L556 PolarHBondContact O-N 2.03Å; F553-L556 PolarHBondContact O-N 3.21Å; L556-K558 VanDerWaalsContact C-N 3.3Å; L556-K558 PolarHBondContact O-N 3.43Å; L556-T559 PolarHBondContact O-N 2.8Å; L556-T559 PolarHBondContact O-OG1 2.79Å; L556-L560 HydrophobicContact CD1-CD1 3.87Å; L556-L560 HydrophobicContact CD1-CG 4.23Å; L556-L560 HydrophobicContact CG-CD1 3.93Å; L556-L560 HydrophobicContact CG-CG 4.49Å; L556-L560 WeakPolarHBondContact O-CB 3.42Å; L556-L560 WeakPolarHBondContact O-CG 3.41Å; L556-L560 PolarHBondContact O-N 3.24Å
557	L	98.6	Very high	96.2	Very high	22 Å²	22	36.9 Å²	36.9	12%	0.115	20%	0.201	C	C	.	.	H	α-helix	trans	-55.7	-47.5	175	175.6	60.9	0	0	0	110.7	I488 H491 F553 A555 T559 L560 L561	I488-L557 HydrophobicContact CB-CD1 4.36Å; I488-L557 HydrophobicContact CG1-CB 4.44Å; I488-L557 HydrophobicContact CG1-CD1 4.08Å; I488-L557 HydrophobicContact CG2-CD1 4.11Å; H491-L557 HydrophobicContact CB-CD1 3.87Å; F553-L557 HydrophobicContact CE1-CD2 4.17Å; F553-L557 HydrophobicContact CZ-CD2 4.04Å; F553-L557 VanDerWaalsContact O-CB 3.25Å; F553-L557 WeakPolarHBondContact O-CB 3.18Å; F553-L557 PolarHBondContact O-N 3.28Å; A555-L557 PolarHBondContact O-N 2.92Å; L557-T559 VanDerWaalsContact C-N 3.28Å; L557-T559 PolarHBondContact O-N 2.9Å; L557-L560 PolarHBondContact O-N 3.27Å; L557-L560 VanDerWaalsContact O-N 3.09Å; L557-L561 HydrophobicContact CD1-CD1 4.45Å; L557-L561 HydrophobicContact CD1-CD2 3.83Å; L557-L561 HydrophobicContact CD1-CG 3.96Å; L557-L561 HydrophobicContact CG-CD1 4.28Å; L557-L561 HydrophobicContact CG-CG 4.25Å; L557-L561 VanDerWaalsContact O-CG 3.31Å; L557-L561 WeakPolarHBondContact O-CG 3.33Å; L557-L561 PolarHBondContact O-N 3.15Å; L557-L561 VanDerWaalsContact O-N 3.11Å
558	K	98.2	Very high	96	Very high	163 Å²	163	39.3 Å²	39.3	71%	0.709	21%	0.214	S	C	*	.	H	α-helix	trans	-59.5	-37.6	-179.1	-71	171.6	-174.2	178.7	0	112.7	P554 A555 L556 L560	P554-K558 WeakPolarHBondContact O-CG 2.98Å; A555-K558 WeakPolarHBondContact O-CB 3.36Å; A555-K558 PolarHBondContact O-N 2.93Å; L556-K558 VanDerWaalsContact C-N 3.3Å; L556-K558 PolarHBondContact O-N 3.43Å; K558-L560 VanDerWaalsContact C-N 3.29Å
559	T	98	Very high	95.8	Very high	33 Å²	33	40.1 Å²	40.1	20%	0.202	22%	0.221	C	C	.	.	H	α-helix	trans	-75.4	-21.9	-179.7	67.7	0	0	0	0	112.6	R506 Q510 A513 A555 L556 L557	R506-T559 PolarHBondContact NH2-O 3.39Å; Q510-T559 PolarHBondContact NE2-O 3.21Å; Q510-T559 PolarHBondContact OE1-O 2.89Å; A513-T559 HydrophobicContact CB-CG2 3.87Å; A513-T559 WeakPolarHBondContact O-CG2 3.34Å; A513-T559 PolarHBondContact O-OG1 3.02Å; A513-T559 VanDerWaalsContact O-OG1 3.1Å; A555-T559 PolarHBondContact O-N 2.88Å; L556-T559 PolarHBondContact O-N 2.8Å; L556-T559 PolarHBondContact O-OG1 2.79Å; L557-T559 VanDerWaalsContact C-N 3.28Å; L557-T559 PolarHBondContact O-N 2.9Å
560	L	98	Very high	95.6	Very high	1 Å²	1	42.9 Å²	42.9	1%	0.005	24%	0.237	C	C	.	.	H	α-helix	trans	-104.5	-1.6	-174.2	-66.2	-172.2	0	0	0	115.3	L485 I488 R492 L500 L503 R506 L556 L557 K558	L485-L560 HydrophobicContact CD2-CD1 4.31Å; I488-L560 HydrophobicContact CD1-CD1 3.93Å; I488-L560 HydrophobicContact CG2-CB 3.77Å; I488-L560 HydrophobicContact CG2-CD1 4.29Å; R492-L560 WeakPolarHBondContact CD-O 3.34Å; R492-L560 PolarHBondContact NH1-O 2.64Å; L500-L560 HydrophobicContact CD1-CD1 3.95Å; L500-L560 HydrophobicContact CD2-CB 4.08Å; L500-L560 HydrophobicContact CD2-CD1 4.23Å; L500-L560 HydrophobicContact CD2-CD2 4.19Å; L500-L560 HydrophobicContact CD2-CG 4.4Å; L503-L560 HydrophobicContact CD1-CD1 4.29Å; L503-L560 HydrophobicContact CD1-CD2 4.19Å; R506-L560 HydrophobicContact CG-CD2 4.18Å; R506-L560 VanDerWaalsContact NE-CD2 3.29Å; R506-L560 VanDerWaalsContact NH2-CA 3.33Å; L556-L560 HydrophobicContact CD1-CD1 3.87Å; L556-L560 HydrophobicContact CD1-CG 4.23Å; L556-L560 HydrophobicContact CG-CD1 3.93Å; L556-L560 HydrophobicContact CG-CG 4.49Å; L556-L560 WeakPolarHBondContact O-CB 3.42Å; L556-L560 WeakPolarHBondContact O-CG 3.41Å; L556-L560 PolarHBondContact O-N 3.24Å; L557-L560 PolarHBondContact O-N 3.27Å; L557-L560 VanDerWaalsContact O-N 3.09Å; K558-L560 VanDerWaalsContact C-N 3.29Å
561	L	93.1	Very high	95.3	Very high	52 Å²	52	46.2 Å²	46.2	27%	0.272	25%	0.254	S	S	.	.	S	Bend	trans	-73	-52.7	-179.4	-81	172.4	0	0	0	113.7	H491 R492 R497 L557	H491-L561 HydrophobicContact CB-CD2 3.87Å; R492-L561 PolarHBondContact NH1-O 3.28Å; R497-L561 WeakPolarHBondContact CD-O 3.45Å; R497-L561 PolarHBondContact NE-O 3.21Å; L557-L561 HydrophobicContact CD1-CD1 4.45Å; L557-L561 HydrophobicContact CD1-CD2 3.83Å; L557-L561 HydrophobicContact CD1-CG 3.96Å; L557-L561 HydrophobicContact CG-CD1 4.28Å; L557-L561 HydrophobicContact CG-CG 4.25Å; L557-L561 VanDerWaalsContact O-CG 3.31Å; L557-L561 WeakPolarHBondContact O-CG 3.33Å; L557-L561 PolarHBondContact O-N 3.15Å; L557-L561 VanDerWaalsContact O-N 3.11Å
562	N	85.3	Confident	95	Very high	99 Å²	99	49.9 Å²	49.9	53%	0.529	28%	0.275	S	S	.	.			trans	-110	136.3	-176.3	-63	-32.8	0	0	0	109.9	R497 R506	R497-N562 VanDerWaalsContact CZ-OD1 3.23Å; R497-N562 PolarHBondContact NE-OD1 3.2Å; R497-N562 PolarHBondContact NH2-OD1 3.12Å; R506-N562 PolarHBondContact NH2-O 2.89Å
563	P	76.3	Confident	94.7	Very high	88 Å²	88	49.5 Å²	49.5	57%	0.571	27%	0.274	S	S	*	.			trans	-55.9	0	179.5	27.2	-34.8	0	0	0	112.3	Y76	Y76-P563 HydrophobicContact CD1-CB 3.64Å; Y76-P563 HydrophobicContact CE1-CB 3.85Å

Retrieved 563 of 563 residues in 2226.3 ms (Link to these results)

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