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Isoform a of cAMP-dependent protein kinase catalytic subunit AlphaSync

Canonical isoform description: Essential for larval development¹. Controls the rhythmic contraction of enteric muscles probably by regulating G-protein coupled receptor aex-2-mediated calcium influx in GABAergic DVB neurons². Plays a role in the control of oocyte meiotic maturation by gonadal sheath cells³. Isoforms a and b: May play a role in the regulation of neuromuscular junctions.

AlphaFold DB , UniProt , Accession P21137-2 (canonical: P21137), Species CAEEL (Caenorhabditis elegans), Gene kin-1, Length 359 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters 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	33.8	Very low	240 Å²	240	163.8 Å²	163.8	100%	1.182	84%	0.84	S	S	*	*				0	79.1	0	-170.9	-170.6	-78.9	0	0	108.4
2	L	32.2	Very low	34	Very low	167 Å²	167	164.7 Å²	164.7	87%	0.874	84%	0.838	S	S	*	*			trans	-150.2	114.9	169.9	-109.3	133.9	0	0	0	108.8
3	K	30.5	Very low	34.3	Very low	178 Å²	178	156.2 Å²	156.2	77%	0.774	82%	0.816	S	S	*	*			trans	-70.3	134.8	176.7	-72.3	166.2	169.4	173.1	0	109.2
4	F	35.6	Very low	34.7	Very low	207 Å²	207	150.2 Å²	150.2	91%	0.908	80%	0.795	S	S	*	*			trans	-131.3	119.6	141.6	-89.5	-80.7	0	0	0	109.1
5	L	33.2	Very low	35.3	Very low	132 Å²	132	144.6 Å²	144.6	69%	0.691	77%	0.772	S	S	*	*			trans	-96.5	128.9	-178.8	-93.5	155.8	0	0	0	109.3
6	K	35.3	Very low	35.9	Very low	184 Å²	184	145.3 Å²	145.3	80%	0.8	77%	0.766	S	S	*	*			trans	71	165.7	135	-85.2	-174	-179.1	-176.8	0	119.7
7	P	36.5	Very low	36.6	Very low	115 Å²	115	143.4 Å²	143.4	75%	0.747	76%	0.757	S	S	*	*			cis	-134.7	168.9	2.5	17.1	9.1	0	0	0	117.8
8	K	35.8	Very low	37.3	Very low	208 Å²	208	141.9 Å²	141.9	90%	0.904	75%	0.75	S	S	*	*			trans	-59.7	142	159.5	-73.2	178.4	169.2	-175.5	0	112.3
9	S	30	Very low	38	Very low	116 Å²	116	143.1 Å²	143.1	81%	0.811	75%	0.748	S	S	*	*			trans	-160.4	104	145.9	59.2	0	0	0	0	111.5
10	S	30.5	Very low	38.9	Very low	114 Å²	114	139.5 Å²	139.5	80%	0.797	73%	0.729	S	S	*	*			trans	-173.2	95.8	154.3	55	0	0	0	0	109.4
11	D	38.3	Very low	39.8	Very low	141 Å²	141	136.1 Å²	136.1	75%	0.754	72%	0.718	S	S	*	*	S	Bend	trans	-163.7	9.1	155.6	-114.6	-12.4	0	0	0	116.2
12	E	35.8	Very low	41	Very low	174 Å²	174	126.8 Å²	126.8	81%	0.813	68%	0.679	S	S	*	*	S	Bend	trans	-91.6	-12.9	177.9	-70.7	-171.8	166	0	0	114.3
13	G	37.5	Very low	43.1	Very low	54 Å²	54	121.6 Å²	121.6	56%	0.557	66%	0.656	S	S	*	*	H	α-helix	trans	-77.4	-33.7	-178.7	0	0	0	0	0	114.8
14	S	40.1	Very low	45.3	Very low	73 Å²	73	114.9 Å²	114.9	51%	0.51	63%	0.629	S	S	.	*	H	α-helix	trans	-78.3	-26	-171.1	72.3	0	0	0	0	114	N18	S14-N18 PolarHBondContact O-N 3.28Å
15	S	44.4	Very low	47.3	Very low	66 Å²	66	111.7 Å²	111.7	46%	0.462	61%	0.614	S	S	.	*	H	α-helix	trans	-82.4	-31.4	-172.7	58.5	0	0	0	0	113.6	K19	S15-K19 PolarHBondContact O-N 2.9Å
16	K	43.9	Very low	49.8	Very low	155 Å²	155	112 Å²	112	67%	0.674	61%	0.613	S	S	*	*	H	α-helix	trans	-71.4	-45.5	175.1	-98.9	179.1	175.5	176.2	0	111.9	N18 K19 N20	K16-N18 VanDerWaalsContact C-N 3.33Å; K16-N18 PolarHBondContact O-N 3.33Å; K16-K19 PolarHBondContact O-N 3.26Å; K16-N20 WeakPolarHBondContact O-CB 3.39Å; K16-N20 PolarHBondContact O-N 2.93Å; K16-N20 PolarHBondContact O-ND2 3.06Å
17	D	48	Very low	52.2	Low	113 Å²	113	106 Å²	106	60%	0.604	59%	0.586	S	S	*	*	H	α-helix	trans	-64.9	-38	179.8	-70.8	-19	0	0	0	111.9	N20 S21	D17-N20 PolarHBondContact O-N 3.33Å; D17-S21 PolarHBondContact O-N 3.28Å
18	N	49	Very low	54.7	Low	118 Å²	118	101.5 Å²	101.5	63%	0.631	56%	0.556	S	S	*	*	H	α-helix	trans	-66.8	-42.9	174.7	-101.3	-8.9	0	0	0	113	S14 K16 N20 S21 A22	S14-N18 PolarHBondContact O-N 3.28Å; K16-N18 VanDerWaalsContact C-N 3.33Å; K16-N18 PolarHBondContact O-N 3.33Å; N18-N20 VanDerWaalsContact C-N 3.34Å; N18-S21 PolarHBondContact O-OG 3.38Å; N18-A22 WeakPolarHBondContact O-CB 3.47Å; N18-A22 PolarHBondContact O-N 3.48Å; N18-A22 VanDerWaalsContact O-N 3.12Å
19	K	50.3	Low	57.3	Low	164 Å²	164	95 Å²	95	71%	0.713	53%	0.531	S	S	*	.	H	α-helix	trans	-64.3	-39.8	175.8	-81.6	-176.5	175.8	-178.9	0	112.1	S15 K16 A22 S23	S15-K19 PolarHBondContact O-N 2.9Å; K16-K19 PolarHBondContact O-N 3.26Å; K19-A22 PolarHBondContact O-N 3.42Å; K19-S23 PolarHBondContact O-N 3.28Å; K19-S23 VanDerWaalsContact O-N 3.11Å
20	N	56.2	Low	60.2	Low	70 Å²	70	96.1 Å²	96.1	37%	0.374	52%	0.521	S	S	.	.	H	α-helix	trans	-65.9	-44.9	-179.9	-76.5	-8.5	0	0	0	111.8	K16 D17 N18 A22 S23 L24 I312	K16-N20 WeakPolarHBondContact O-CB 3.39Å; K16-N20 PolarHBondContact O-N 2.93Å; K16-N20 PolarHBondContact O-ND2 3.06Å; D17-N20 PolarHBondContact O-N 3.33Å; N18-N20 VanDerWaalsContact C-N 3.34Å; N20-A22 PolarHBondContact O-N 2.96Å; N20-S23 PolarHBondContact O-N 2.77Å; N20-S23 PolarHBondContact O-OG 3.34Å; N20-L24 PolarHBondContact O-N 3.34Å; N20-I312 HydrophobicContact CB-CD1 3.61Å; N20-I312 WeakPolarHBondContact OD1-CD1 3.19Å
21	S	57.6	Low	63.2	Low	70 Å²	70	91.1 Å²	91.1	49%	0.49	49%	0.487	S	S	.	.	H	α-helix	trans	-65.4	-37.1	177.2	76.8	0	0	0	0	112.8	D17 N18 S23 L24 K25	D17-S21 PolarHBondContact O-N 3.28Å; N18-S21 PolarHBondContact O-OG 3.38Å; S21-S23 PolarHBondContact O-N 2.68Å; S21-L24 PolarHBondContact O-N 3.12Å; S21-K25 PolarHBondContact O-N 3.22Å; S21-K25 VanDerWaalsContact O-N 3.1Å
22	A	60.3	Low	65.8	Low	44 Å²	44	89.6 Å²	89.6	36%	0.364	47%	0.47	S	S	.	.	H	α-helix	trans	-60.9	-44.2	174.3	0	0	0	0	0	111.4	N18 K19 N20 L24 K25 E26	N18-A22 WeakPolarHBondContact O-CB 3.47Å; N18-A22 PolarHBondContact O-N 3.48Å; N18-A22 VanDerWaalsContact O-N 3.12Å; K19-A22 PolarHBondContact O-N 3.42Å; N20-A22 PolarHBondContact O-N 2.96Å; A22-L24 PolarHBondContact O-N 3Å; A22-K25 PolarHBondContact O-N 3.17Å; A22-E26 WeakPolarHBondContact O-CG 3.2Å; A22-E26 PolarHBondContact O-N 2.67Å
23	S	76.5	Confident	68.6	Low	58 Å²	58	85.9 Å²	85.9	41%	0.406	45%	0.453	S	S	.	.	H	α-helix	trans	-64.1	-37.5	-179.6	81.1	0	0	0	0	113.4	K19 N20 S21 F27	K19-S23 PolarHBondContact O-N 3.28Å; K19-S23 VanDerWaalsContact O-N 3.11Å; N20-S23 PolarHBondContact O-N 2.77Å; N20-S23 PolarHBondContact O-OG 3.34Å; S21-S23 PolarHBondContact O-N 2.68Å; S23-F27 WeakPolarHBondContact O-CB 3.38Å; S23-F27 PolarHBondContact O-N 2.7Å
24	L	75.7	Confident	71.4	Confident	37 Å²	37	85.9 Å²	85.9	19%	0.194	44%	0.441	C	S	.	.	H	α-helix	trans	-74.2	-37.3	179.4	-175.9	63.1	0	0	0	111.4	N20 S21 A22 F27 L28 K301	N20-L24 PolarHBondContact O-N 3.34Å; S21-L24 PolarHBondContact O-N 3.12Å; A22-L24 PolarHBondContact O-N 3Å; L24-F27 HydrophobicContact CD1-CD1 4.22Å; L24-F27 WeakPolarHBondContact O-CB 3.41Å; L24-F27 PolarHBondContact O-N 3.32Å; L24-L28 HydrophobicContact CG-CD1 4.48Å; L24-L28 WeakPolarHBondContact O-CG 3.09Å; L24-L28 PolarHBondContact O-N 3.1Å; L24-K301 VanDerWaalsContact CD2-NZ 3.28Å
25	K	78.1	Confident	74.1	Confident	140 Å²	140	82.5 Å²	82.5	61%	0.609	42%	0.417	S	S	*	.	H	α-helix	trans	-63.6	-46.2	175.3	-172.8	-179.4	177.2	-173	0	111.3	S21 A22 F27 L28 D29	S21-K25 PolarHBondContact O-N 3.22Å; S21-K25 VanDerWaalsContact O-N 3.1Å; A22-K25 PolarHBondContact O-N 3.17Å; K25-F27 VanDerWaalsContact C-N 3.29Å; K25-F27 PolarHBondContact O-N 3.3Å; K25-L28 PolarHBondContact O-N 3.17Å; K25-D29 PolarHBondContact O-N 3.41Å
26	E	85.4	Confident	76.6	Confident	139 Å²	139	83.5 Å²	83.5	65%	0.65	41%	0.413	S	S	*	.	H	α-helix	trans	-58.7	-41.7	174.4	-74.2	173.7	179.8	0	0	111.7	A22 D29 K30	A22-E26 WeakPolarHBondContact O-CG 3.2Å; A22-E26 PolarHBondContact O-N 2.67Å; E26-D29 PolarHBondContact O-N 3.35Å; E26-K30 PolarHBondContact O-N 2.99Å
27	F	86.9	Confident	79.1	Confident	57 Å²	57	81.2 Å²	81.2	25%	0.25	40%	0.404	C	S	.	.	H	α-helix	trans	-59.4	-48.5	173.3	171.3	-93.9	0	0	0	112.1	S23 L24 K25 D29 K30 A31 F109 Y165 Y315	S23-F27 WeakPolarHBondContact O-CB 3.38Å; S23-F27 PolarHBondContact O-N 2.7Å; L24-F27 HydrophobicContact CD1-CD1 4.22Å; L24-F27 WeakPolarHBondContact O-CB 3.41Å; L24-F27 PolarHBondContact O-N 3.32Å; K25-F27 VanDerWaalsContact C-N 3.29Å; K25-F27 PolarHBondContact O-N 3.3Å; F27-D29 VanDerWaalsContact C-N 3.33Å; F27-D29 PolarHBondContact O-N 3.48Å; F27-K30 PolarHBondContact O-N 3.16Å; F27-A31 HydrophobicContact CE1-CB 4.4Å; F27-A31 HydrophobicContact CZ-CB 4.48Å; F27-A31 VanDerWaalsContact O-CB 3.27Å; F27-A31 WeakPolarHBondContact O-CB 3.34Å; F27-A31 PolarHBondContact O-N 3.39Å; F27-F109 HydrophobicContact CE1-CD2 4.01Å; F27-F109 AromaticContact CE1-CE2 3.71Å; F27-F109 HydrophobicContact CE1-CE2 3.71Å; F27-F109 HydrophobicContact CZ-CD2 4.06Å; F27-F109 HydrophobicContact CZ-CE2 4.1Å; F27-Y165 HydrophobicContact CE1-CD2 4.36Å; F27-Y315 HydrophobicContact CE1-CE2 4.27Å; F27-Y315 AromaticContact CE2-CZ 3.97Å; F27-Y315 WeakPolarHBondContact CE2-OH 3.45Å; F27-Y315 HydrophobicContact CZ-CE2 4.08Å; F27-Y315 AromaticContact CZ-CZ 3.96Å; F27-Y315 VanDerWaalsContact CZ-OH 3.24Å; F27-Y315 WeakPolarHBondContact CZ-OH 3.5Å
28	L	88.3	Confident	81.4	Confident	21 Å²	21	79.5 Å²	79.5	11%	0.11	39%	0.389	C	S	.	.	H	α-helix	trans	-65.2	-35.8	-179.9	-70.3	175.6	0	0	0	112.3	L24 K25 A31 R32 E164 Y165	L24-L28 HydrophobicContact CG-CD1 4.48Å; L24-L28 WeakPolarHBondContact O-CG 3.09Å; L24-L28 PolarHBondContact O-N 3.1Å; K25-L28 PolarHBondContact O-N 3.17Å; L28-A31 PolarHBondContact O-N 3.07Å; L28-R32 WeakPolarHBondContact O-CB 3.34Å; L28-R32 PolarHBondContact O-N 2.85Å; L28-E164 HydrophobicContact CD1-CG 4.02Å; L28-Y165 HydrophobicContact CD2-CD2 4.36Å
29	D	89.9	Confident	83.6	Confident	72 Å²	72	75.3 Å²	75.3	39%	0.385	37%	0.365	S	S	.	.	H	α-helix	trans	-68.6	-41.7	176.7	-74.2	-28.9	0	0	0	111.3	K25 E26 F27 R32 E33	K25-D29 PolarHBondContact O-N 3.41Å; E26-D29 PolarHBondContact O-N 3.35Å; F27-D29 VanDerWaalsContact C-N 3.33Å; F27-D29 PolarHBondContact O-N 3.48Å; D29-R32 PolarHBondContact O-N 2.9Å; D29-R32 IonicContact OD1-CZ 3.74Å; D29-R32 IonicContact OD1-NH1 2.85Å; D29-R32 PolarHBondContact OD1-NH1 3.42Å; D29-R32 IonicContact OD1-NH2 3.95Å; D29-E33 PolarHBondContact O-N 3.02Å
30	K	92.3	Very high	85.8	Confident	138 Å²	138	72.7 Å²	72.7	60%	0.6	36%	0.355	S	S	*	.	H	α-helix	trans	-62.9	-47.3	171.8	-176.3	-179.5	176.8	-176.2	0	111.7	E26 F27 R32 E33 D34	E26-K30 PolarHBondContact O-N 2.99Å; F27-K30 PolarHBondContact O-N 3.16Å; K30-R32 PolarHBondContact O-N 3.46Å; K30-E33 PolarHBondContact O-N 3.35Å; K30-E33 VanDerWaalsContact O-N 3.07Å; K30-D34 PolarHBondContact O-N 2.82Å
31	A	92.2	Very high	87.7	Confident	9 Å²	9	75 Å²	75	7%	0.074	37%	0.368	C	S	.	.	H	α-helix	trans	-57.7	-35.4	177.6	0	0	0	0	0	112.5	F27 L28 F35 Y165	F27-A31 HydrophobicContact CE1-CB 4.4Å; F27-A31 HydrophobicContact CZ-CB 4.48Å; F27-A31 VanDerWaalsContact O-CB 3.27Å; F27-A31 WeakPolarHBondContact O-CB 3.34Å; F27-A31 PolarHBondContact O-N 3.39Å; L28-A31 PolarHBondContact O-N 3.07Å; A31-F35 WeakPolarHBondContact O-CB 3.39Å; A31-F35 PolarHBondContact O-N 3.18Å; A31-Y165 HydrophobicContact CB-CD2 4.28Å; A31-Y165 HydrophobicContact CB-CE2 3.76Å
32	R	93.8	Very high	89.3	Confident	109 Å²	109	73.9 Å²	73.9	41%	0.411	36%	0.358	S	S	.	.	H	α-helix	trans	-66.1	-40.7	175.7	-170	-174.2	-65.4	123.7	6.7	112.3	L28 D29 K30 K36 S168 L169	L28-R32 WeakPolarHBondContact O-CB 3.34Å; L28-R32 PolarHBondContact O-N 2.85Å; D29-R32 PolarHBondContact O-N 2.9Å; D29-R32 IonicContact OD1-CZ 3.74Å; D29-R32 IonicContact OD1-NH1 2.85Å; D29-R32 PolarHBondContact OD1-NH1 3.42Å; D29-R32 IonicContact OD1-NH2 3.95Å; K30-R32 PolarHBondContact O-N 3.46Å; R32-K36 WeakPolarHBondContact O-CB 3.35Å; R32-K36 PolarHBondContact O-N 3.21Å; R32-S168 PolarHBondContact NE-O 2.88Å; R32-S168 PolarHBondContact NH2-O 3.07Å; R32-L169 HydrophobicContact CB-CD2 3.98Å; R32-L169 HydrophobicContact CG-CD2 4.08Å
33	E	95.1	Very high	90.9	Very high	96 Å²	96	74.3 Å²	74.3	45%	0.449	36%	0.362	S	S	.	.	H	α-helix	trans	-67.5	-47.6	176.6	-173.9	55.8	-149.5	0	0	111.1	D29 K30 F35 K36 Q37	D29-E33 PolarHBondContact O-N 3.02Å; K30-E33 PolarHBondContact O-N 3.35Å; K30-E33 VanDerWaalsContact O-N 3.07Å; E33-F35 VanDerWaalsContact C-N 3.29Å; E33-F35 PolarHBondContact O-N 3.42Å; E33-K36 WeakPolarHBondContact O-CB 3.44Å; E33-K36 PolarHBondContact O-N 3.14Å; E33-K36 VanDerWaalsContact O-N 3.08Å; E33-Q37 PolarHBondContact O-N 2.81Å; E33-Q37 PolarHBondContact OE1-NE2 3.21Å
34	D	95.6	Very high	91.6	Very high	55 Å²	55	76.2 Å²	76.2	29%	0.294	36%	0.364	S	S	.	.	H	α-helix	trans	-60.4	-39.6	177.4	-66.8	-19.3	0	0	0	111.6	K30 R38	K30-D34 PolarHBondContact O-N 2.82Å; D34-R38 WeakPolarHBondContact O-CG 3.43Å; D34-R38 PolarHBondContact O-N 3.02Å; D34-R38 PolarHBondContact O-NE 2.78Å
35	F	97	Very high	92.6	Very high	1 Å²	1	79.6 Å²	79.6	0%	0.004	38%	0.383	C	S	.	.	H	α-helix	trans	-64	-45.6	173.4	171.4	-95.4	0	0	0	111.4	A31 E33 Q37 R38 W39 A106 I107 L169 L171	A31-F35 WeakPolarHBondContact O-CB 3.39Å; A31-F35 PolarHBondContact O-N 3.18Å; E33-F35 VanDerWaalsContact C-N 3.29Å; E33-F35 PolarHBondContact O-N 3.42Å; F35-Q37 VanDerWaalsContact C-N 3.34Å; F35-Q37 PolarHBondContact O-N 2.83Å; F35-R38 PolarHBondContact O-N 2.73Å; F35-W39 HydrophobicContact CD1-CB 4.42Å; F35-W39 HydrophobicContact CE1-CB 4.09Å; F35-W39 HydrophobicContact CE1-CD2 4.28Å; F35-W39 HydrophobicContact CE1-CE3 4.28Å; F35-W39 HydrophobicContact CE1-CG 4.21Å; F35-W39 HydrophobicContact CE2-CE3 4.01Å; F35-W39 HydrophobicContact CZ-CB 4.25Å; F35-W39 AromaticContact CZ-CD2 3.93Å; F35-W39 HydrophobicContact CZ-CD2 3.93Å; F35-W39 AromaticContact CZ-CE3 3.48Å; F35-W39 HydrophobicContact CZ-CE3 3.48Å; F35-W39 VanDerWaalsContact CZ-CE3 3.48Å; F35-W39 HydrophobicContact CZ-CG 4.26Å; F35-W39 HydrophobicContact CZ-CZ3 4.17Å; F35-W39 WeakPolarHBondContact O-CB 3.48Å; F35-W39 PolarHBondContact O-N 2.82Å; F35-A106 HydrophobicContact CD2-CB 3.62Å; F35-A106 WeakPolarHBondContact CD2-O 3.44Å; F35-A106 HydrophobicContact CE2-CB 3.54Å; F35-A106 HydrophobicContact CZ-CB 4.43Å; F35-I107 HydrophobicContact CD2-CG2 4.18Å; F35-I107 HydrophobicContact CE2-CG2 4.05Å; F35-L169 HydrophobicContact CB-CD1 4.06Å; F35-L169 HydrophobicContact CB-CD2 3.76Å; F35-L169 HydrophobicContact CB-CG 4.49Å; F35-L169 HydrophobicContact CD1-CB 4.17Å; F35-L169 HydrophobicContact CD1-CD1 4.38Å; F35-L169 HydrophobicContact CD1-CD2 3.97Å; F35-L169 HydrophobicContact CD1-CG 4.4Å; F35-L169 HydrophobicContact CD2-CD1 3.68Å; F35-L169 HydrophobicContact CE1-CB 4.19Å; F35-L169 HydrophobicContact CE2-CD1 4.21Å; F35-L169 HydrophobicContact CG-CB 4.4Å; F35-L169 HydrophobicContact CG-CD1 3.78Å; F35-L169 HydrophobicContact CG-CD2 3.87Å; F35-L169 HydrophobicContact CG-CG 4.22Å; F35-L169 HydrophobicContact CZ-CB 4.44Å; F35-L171 HydrophobicContact CE2-CD1 3.89Å; F35-L171 HydrophobicContact CZ-CD1 4.09Å; F35-L171 HydrophobicContact CZ-CD2 4.38Å; F35-L171 HydrophobicContact CZ-CG 4.39Å
36	K	96.1	Very high	93.5	Very high	88 Å²	88	75.8 Å²	75.8	38%	0.383	37%	0.372	S	S	.	.	H	α-helix	trans	-60.1	-44.8	-178.4	-175.3	-175	172.2	-164.4	0	111.1	R32 E33 R38 W39 E40	R32-K36 WeakPolarHBondContact O-CB 3.35Å; R32-K36 PolarHBondContact O-N 3.21Å; E33-K36 WeakPolarHBondContact O-CB 3.44Å; E33-K36 PolarHBondContact O-N 3.14Å; E33-K36 VanDerWaalsContact O-N 3.08Å; K36-R38 PolarHBondContact O-N 2.91Å; K36-W39 PolarHBondContact O-N 3.44Å; K36-E40 WeakPolarHBondContact CE-OE1 3.47Å; K36-E40 HydrophobicContact CG-CG 4.43Å; K36-E40 WeakPolarHBondContact CG-OE1 3.27Å; K36-E40 WeakPolarHBondContact O-CB 3.48Å; K36-E40 WeakPolarHBondContact O-CG 3.46Å; K36-E40 PolarHBondContact O-N 2.88Å
37	Q	96.3	Very high	94.1	Very high	106 Å²	106	69.8 Å²	69.8	50%	0.495	35%	0.346	S	S	.	.	H	α-helix	trans	-59.5	-46.8	178.1	-69.6	-175.4	6.9	0	0	112	E33 F35 N41	E33-Q37 PolarHBondContact O-N 2.81Å; E33-Q37 PolarHBondContact OE1-NE2 3.21Å; F35-Q37 VanDerWaalsContact C-N 3.34Å; F35-Q37 PolarHBondContact O-N 2.83Å; Q37-N41 WeakPolarHBondContact O-CB 3.39Å; Q37-N41 PolarHBondContact O-N 2.68Å; Q37-N41 PolarHBondContact O-ND2 3.24Å; Q37-N41 VanDerWaalsContact O-ND2 3.14Å
38	R	96.6	Very high	94.6	Very high	78 Å²	78	69.8 Å²	69.8	29%	0.294	35%	0.352	S	S	.	.	H	α-helix	trans	-70.3	-30.7	177.7	-68.4	-176.3	-93.9	179.2	-14.9	113.4	D34 F35 K36 N41 A106 I107 D108	D34-R38 WeakPolarHBondContact O-CG 3.43Å; D34-R38 PolarHBondContact O-N 3.02Å; D34-R38 PolarHBondContact O-NE 2.78Å; F35-R38 PolarHBondContact O-N 2.73Å; K36-R38 PolarHBondContact O-N 2.91Å; R38-N41 CarbonylContact O-C 3.5Å; R38-A106 HydrophobicContact CB-CB 3.95Å; R38-I107 PolarHBondContact NH1-O 2.93Å; R38-D108 IonicContact NH2-OD2 3.79Å
39	W	96.2	Very high	95.1	Very high	30 Å²	30	69.6 Å²	69.6	11%	0.114	35%	0.351	C	S	.	.	H	α-helix	trans	-71.7	-39.1	177.6	-179.8	-88.1	0	0	0	112.8	F35 K36 R102 I103 A106 R199	F35-W39 HydrophobicContact CD1-CB 4.42Å; F35-W39 HydrophobicContact CE1-CB 4.09Å; F35-W39 HydrophobicContact CE1-CD2 4.28Å; F35-W39 HydrophobicContact CE1-CE3 4.28Å; F35-W39 HydrophobicContact CE1-CG 4.21Å; F35-W39 HydrophobicContact CE2-CE3 4.01Å; F35-W39 HydrophobicContact CZ-CB 4.25Å; F35-W39 AromaticContact CZ-CD2 3.93Å; F35-W39 HydrophobicContact CZ-CD2 3.93Å; F35-W39 AromaticContact CZ-CE3 3.48Å; F35-W39 HydrophobicContact CZ-CE3 3.48Å; F35-W39 VanDerWaalsContact CZ-CE3 3.48Å; F35-W39 HydrophobicContact CZ-CG 4.26Å; F35-W39 HydrophobicContact CZ-CZ3 4.17Å; F35-W39 WeakPolarHBondContact O-CB 3.48Å; F35-W39 PolarHBondContact O-N 2.82Å; K36-W39 PolarHBondContact O-N 3.44Å; W39-R102 HydrophobicContact CD2-CG 4.34Å; W39-R102 HydrophobicContact CE3-CG 3.89Å; W39-R102 HydrophobicContact CH2-CB 4.42Å; W39-R102 HydrophobicContact CH2-CG 3.93Å; W39-R102 HydrophobicContact CZ2-CG 4.37Å; W39-R102 HydrophobicContact CZ3-CB 4.17Å; W39-R102 HydrophobicContact CZ3-CG 3.67Å; W39-R102 PolarHBondContact O-NE 3.2Å; W39-R102 PolarHBondContact O-NH2 3.02Å; W39-I103 HydrophobicContact CH2-CG1 4.16Å; W39-I103 HydrophobicContact CZ3-CG1 3.66Å; W39-A106 HydrophobicContact CB-CB 4.33Å; W39-A106 HydrophobicContact CE3-CB 4.27Å; W39-R199 HydrophobicContact CH2-CB 4.02Å; W39-R199 HydrophobicContact CZ2-CB 4.17Å
40	E	95.8	Very high	95.4	Very high	108 Å²	108	71.9 Å²	71.9	51%	0.505	36%	0.363	S	S	.	.	H	α-helix	trans	-79.7	-29.8	179	-70.6	176.2	179.2	0	0	111.8	K36 P42	K36-E40 WeakPolarHBondContact CE-OE1 3.47Å; K36-E40 HydrophobicContact CG-CG 4.43Å; K36-E40 WeakPolarHBondContact CG-OE1 3.27Å; K36-E40 WeakPolarHBondContact O-CB 3.48Å; K36-E40 WeakPolarHBondContact O-CG 3.46Å; K36-E40 PolarHBondContact O-N 2.88Å; E40-P42 VanDerWaalsContact C-CD 3.5Å; E40-P42 VanDerWaalsContact O-CD 3.3Å; E40-P42 WeakPolarHBondContact O-CD 3.45Å
41	N	95.1	Very high	95.7	Very high	120 Å²	120	68 Å²	68	64%	0.642	35%	0.349	S	S	*	.	S	Bend	trans	-121	73.6	179.7	-55.7	-80.2	0	0	0	110.9	Q37 R38 A43	Q37-N41 WeakPolarHBondContact O-CB 3.39Å; Q37-N41 PolarHBondContact O-N 2.68Å; Q37-N41 PolarHBondContact O-ND2 3.24Å; Q37-N41 VanDerWaalsContact O-ND2 3.14Å; R38-N41 CarbonylContact O-C 3.5Å; N41-A43 PolarHBondContact O-N 2.88Å
42	P	92.7	Very high	96	Very high	45 Å²	45	67.8 Å²	67.8	29%	0.292	35%	0.347	S	S	.	.			trans	-65.5	124.3	-176.4	29.8	-37.7	0	0	0	111.2	E40 Q44	E40-P42 VanDerWaalsContact C-CD 3.5Å; E40-P42 VanDerWaalsContact O-CD 3.3Å; E40-P42 WeakPolarHBondContact O-CD 3.45Å; P42-Q44 PolarHBondContact O-N 3.44Å
43	A	93	Very high	96.2	Very high	54 Å²	54	66.4 Å²	66.4	45%	0.446	35%	0.347	S	S	.	.			trans	-65.2	135.3	172.7	0	0	0	0	0	110.1	N41 T46 K101 Q105	N41-A43 PolarHBondContact O-N 2.88Å; A43-T46 HydrophobicContact CB-CG2 3.89Å; A43-K101 PolarHBondContact O-NZ 2.94Å; A43-Q105 PolarHBondContact O-OE1 3.26Å
44	Q	92.3	Very high	96.3	Very high	97 Å²	97	67.4 Å²	67.4	45%	0.453	35%	0.347	S	S	.	.			trans	-127.3	146.6	-179.8	-72.6	179.7	-12.7	0	0	110.2	P42 T46 E358	P42-Q44 PolarHBondContact O-N 3.44Å; Q44-T46 PolarHBondContact O-N 3.31Å; Q44-E358 PolarHBondContact NE2-O 3.09Å
45	N	95.9	Very high	96.4	Very high	108 Å²	108	68.8 Å²	68.8	58%	0.578	35%	0.354	S	S	*	.			trans	50.3	54.2	173	-160.7	60.7	0	0	0	113.7	A47 S118	N45-A47 VanDerWaalsContact C-N 3.31Å; N45-A47 PolarHBondContact O-N 3.06Å; N45-S118 WeakPolarHBondContact CA-O 3.39Å; N45-S118 PolarHBondContact N-O 3.14Å
46	T	97.5	Very high	96.4	Very high	61 Å²	61	70.6 Å²	70.6	37%	0.374	36%	0.361	S	S	.	.			trans	-85.8	-0.7	-173	55.8	0	0	0	0	114.3	A43 Q44 F117 S118	A43-T46 HydrophobicContact CB-CG2 3.89Å; Q44-T46 PolarHBondContact O-N 3.31Å; T46-F117 VanDerWaalsContact OG1-CA 3.3Å; T46-F117 WeakPolarHBondContact OG1-CA 3.4Å; T46-S118 PolarHBondContact N-O 2.9Å; T46-S118 PolarHBondContact OG1-N 2.78Å; T46-S118 PolarHBondContact OG1-O 2.8Å
47	A	98.1	Very high	96.4	Very high	13 Å²	13	66.4 Å²	66.4	11%	0.107	34%	0.343	C	S	.	.			trans	-160.7	-177.5	173.9	0	0	0	0	0	109.5	N45 F52 F117 F119	N45-A47 VanDerWaalsContact C-N 3.31Å; N45-A47 PolarHBondContact O-N 3.06Å; A47-F52 HydrophobicContact CB-CE2 3.85Å; A47-F52 HydrophobicContact CB-CZ 4.09Å; A47-F117 HydrophobicContact CB-CB 3.86Å; A47-F117 HydrophobicContact CB-CD1 3.9Å; A47-F117 HydrophobicContact CB-CG 3.98Å; A47-F119 HydrophobicContact CB-CD1 3.89Å; A47-F119 HydrophobicContact CB-CE1 4.11Å; A47-F119 WeakPolarHBondContact O-CB 3.34Å; A47-F119 VanDerWaalsContact O-CG 3.29Å; A47-F119 WeakPolarHBondContact O-CG 3.22Å
48	C	97.7	Very high	96.3	Very high	56 Å²	56	61.7 Å²	61.7	38%	0.378	32%	0.321	S	S	.	.			trans	-133.4	168.3	167.6	73.6	0	0	0	0	111.3	D50 D51 F52	C48-D50 PolarHBondContact O-N 2.95Å; C48-D51 PolarHBondContact N-OD2 3.21Å; C48-D51 WeakPolarHBondContact O-CB 3.35Å; C48-D51 PolarHBondContact O-N 3.33Å; C48-D51 PolarHBondContact SG-OD2 3.38Å; C48-F52 VanDerWaalsContact O-CD2 3.28Å; C48-F52 WeakPolarHBondContact O-CD2 3.43Å; C48-F52 WeakPolarHBondContact O-CE2 3.33Å
49	L	97.5	Very high	96.1	Very high	17 Å²	17	58.7 Å²	58.7	9%	0.089	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-62.8	-33.7	-175.8	-173.2	64.5	0	0	0	112.7	D51 F52 M80 F119 Y126 L344 I346	L49-D51 PolarHBondContact O-N 3.35Å; L49-F52 PolarHBondContact O-N 2.98Å; L49-M80 HydrophobicContact CD1-CE 4.34Å; L49-M80 HydrophobicContact CD1-SD 3.87Å; L49-F119 HydrophobicContact CB-CE2 3.92Å; L49-F119 HydrophobicContact CB-CZ 4.37Å; L49-F119 HydrophobicContact CD1-CE2 4.47Å; L49-F119 HydrophobicContact CD1-CZ 4.43Å; L49-Y126 HydrophobicContact CD1-CD1 4.16Å; L49-Y126 HydrophobicContact CD1-CE1 3.64Å; L49-L344 HydrophobicContact CD1-CD2 4.15Å; L49-L344 HydrophobicContact CD2-CD2 3.66Å; L49-I346 HydrophobicContact CD2-CD1 3.64Å
50	D	97.6	Very high	95.9	Very high	120 Å²	120	61 Å²	61	64%	0.642	33%	0.332	S	S	*	.	G	3₁₀ helix	trans	-72.7	-11	-176.9	-70.3	-23.2	0	0	0	113.2	C48 F52 K72	C48-D50 PolarHBondContact O-N 2.95Å; D50-F52 PolarHBondContact O-N 3.37Å; D50-K72 WeakPolarHBondContact O-CD 3.22Å; D50-K72 VanDerWaalsContact O-CE 3.32Å; D50-K72 WeakPolarHBondContact O-CE 3.48Å; D50-K72 PolarHBondContact O-NZ 3.33Å
51	D	98.4	Very high	95.5	Very high	58 Å²	58	58.6 Å²	58.6	31%	0.31	34%	0.336	S	S	.	.	G	3₁₀ helix	trans	-72.7	-8.3	173.5	-60.6	-37.3	0	0	0	112.6	C48 L49 H71 K72	C48-D51 PolarHBondContact N-OD2 3.21Å; C48-D51 WeakPolarHBondContact O-CB 3.35Å; C48-D51 PolarHBondContact O-N 3.33Å; C48-D51 PolarHBondContact SG-OD2 3.38Å; L49-D51 PolarHBondContact O-N 3.35Å; D51-H71 PolarHBondContact O-CD2 3.36Å; D51-K72 WeakPolarHBondContact O-CB 3.41Å; D51-K72 WeakPolarHBondContact O-CG 3.16Å; D51-K72 PolarHBondContact O-N 3.22Å
52	F	98.6	Very high	95	Very high	4 Å²	4	57.3 Å²	57.3	2%	0.018	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	136.4	-171.5	-55.8	-88.2	0	0	0	113.2	A47 C48 L49 D50 V69 K70 H71 Y78 M80 F117 F119 V128	A47-F52 HydrophobicContact CB-CE2 3.85Å; A47-F52 HydrophobicContact CB-CZ 4.09Å; C48-F52 VanDerWaalsContact O-CD2 3.28Å; C48-F52 WeakPolarHBondContact O-CD2 3.43Å; C48-F52 WeakPolarHBondContact O-CE2 3.33Å; L49-F52 PolarHBondContact O-N 2.98Å; D50-F52 PolarHBondContact O-N 3.37Å; F52-V69 HydrophobicContact CB-CB 4.13Å; F52-V69 HydrophobicContact CB-CG2 4.31Å; F52-V69 HydrophobicContact CD1-CB 4.42Å; F52-V69 HydrophobicContact CD1-CG2 3.73Å; F52-V69 HydrophobicContact CE1-CG2 4.47Å; F52-V69 HydrophobicContact CG-CG2 4.26Å; F52-K70 CarbonylContact C-O 3.46Å; F52-K70 WeakPolarHBondContact CA-O 3.43Å; F52-H71 HydrophobicContact CD1-CB 3.95Å; F52-H71 HydrophobicContact CE1-CB 3.83Å; F52-H71 AromaticContact CE1-CD2 3.62Å; F52-H71 AromaticContact CZ-CD2 3.9Å; F52-Y78 HydrophobicContact CE1-CD2 4.24Å; F52-M80 HydrophobicContact CB-CE 3.77Å; F52-M80 HydrophobicContact CD1-CE 4.08Å; F52-M80 HydrophobicContact CD2-CE 3.46Å; F52-M80 VanDerWaalsContact CD2-CE 3.46Å; F52-M80 HydrophobicContact CE2-CE 4.05Å; F52-M80 HydrophobicContact CG-CE 3.49Å; F52-M80 VanDerWaalsContact CG-CE 3.49Å; F52-F117 HydrophobicContact CE1-CD2 4.13Å; F52-F117 HydrophobicContact CE1-CE2 4.25Å; F52-F117 AromaticContact CZ-CD2 3.73Å; F52-F117 HydrophobicContact CZ-CD2 3.73Å; F52-F117 HydrophobicContact CZ-CE2 4.13Å; F52-F117 HydrophobicContact CZ-CG 4.2Å; F52-F119 HydrophobicContact CD2-CE1 4.45Å; F52-F119 HydrophobicContact CD2-CZ 4.41Å; F52-F119 AromaticContact CE2-CE1 3.83Å; F52-F119 HydrophobicContact CE2-CE1 3.83Å; F52-F119 HydrophobicContact CE2-CZ 4.22Å; F52-V128 HydrophobicContact CE1-CG1 3.91Å; F52-V128 HydrophobicContact CE1-CG2 4.48Å; F52-V128 HydrophobicContact CE2-CG2 4.32Å; F52-V128 HydrophobicContact CZ-CG1 4.16Å; F52-V128 HydrophobicContact CZ-CG2 4.03Å
53	D	98.2	Very high	94.7	Very high	79 Å²	79	57.6 Å²	57.6	42%	0.422	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	122.4	163.7	-63.9	-43.9	0	0	0	109.1	V69 K70 K72	D53-V69 CarbonylContact O-C 3.51Å; D53-V69 WeakPolarHBondContact O-CA 3.47Å; D53-V69 WeakPolarHBondContact O-CB 2.94Å; D53-K70 HydrophobicContact CB-CB 4.47Å; D53-K70 PolarHBondContact N-O 2.9Å; D53-K70 PolarHBondContact O-N 3.3Å; D53-K72 WeakPolarHBondContact OD1-CE 3.46Å; D53-K72 IonicContact OD1-NZ 3.83Å
54	R	97.1	Very high	94.6	Very high	117 Å²	117	56.1 Å²	56.1	44%	0.442	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	130.5	177.6	-62.3	178.2	-63.2	-81.5	-1.1	110	M67 V69	R54-M67 HydrophobicContact CB-CE 4.09Å; R54-M67 HydrophobicContact CB-SD 4.49Å; R54-V69 HydrophobicContact CG-CG1 4.11Å
55	I	96.8	Very high	94.8	Very high	85 Å²	85	53 Å²	53	44%	0.436	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	-62.8	-168.7	-57.5	167.8	0	0	0	112	L68 K70 Y77	I55-L68 HydrophobicContact CB-CB 4.41Å; I55-L68 HydrophobicContact CB-CD2 4.31Å; I55-L68 HydrophobicContact CB-CG 4.25Å; I55-L68 WeakPolarHBondContact CB-O 3.23Å; I55-L68 HydrophobicContact CD1-CD2 4.27Å; I55-L68 HydrophobicContact CD1-CG 4.09Å; I55-L68 HydrophobicContact CG2-CD2 4.2Å; I55-L68 PolarHBondContact N-O 3.03Å; I55-K70 HydrophobicContact CD1-CB 3.91Å; I55-Y77 HydrophobicContact CD1-CD1 3.78Å; I55-Y77 HydrophobicContact CD1-CE1 3.48Å; I55-Y77 VanDerWaalsContact CD1-CE1 3.48Å
56	K	96.5	Very high	94.8	Very high	38 Å²	38	49.8 Å²	49.8	17%	0.165	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	143.4	-173.5	172.7	176.6	171.3	-176.4	0	110.3	L58 M67 L68 A333 D337 D338 E341	K56-L58 PolarHBondContact O-N 2.99Å; K56-M67 CarbonylContact O-C 3.58Å; K56-M67 VanDerWaalsContact O-CA 3.3Å; K56-M67 WeakPolarHBondContact O-CA 3.29Å; K56-L68 PolarHBondContact O-N 3.31Å; K56-A333 HydrophobicContact CD-CB 4.3Å; K56-D337 WeakPolarHBondContact CE-O 3.48Å; K56-D337 PolarHBondContact NZ-O 3.25Å; K56-D337 VanDerWaalsContact NZ-O 3.09Å; K56-D338 WeakPolarHBondContact CE-OD1 3.36Å; K56-D338 IonicContact NZ-OD1 2.82Å; K56-D338 PolarHBondContact NZ-OD1 2.83Å; K56-E341 WeakPolarHBondContact CA-OE1 3.29Å
57	T	96.9	Very high	94.8	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	121.7	167.9	-65	0	0	0	0	110.1	T60 R65 V66 Y339 E341	T57-T60 HydrophobicContact CG2-CG2 4.04Å; T57-R65 HydrophobicContact CG2-CB 4.23Å; T57-R65 PolarHBondContact OG1-NH1 3.46Å; T57-V66 CarbonylContact C-O 3.56Å; T57-Y339 HydrophobicContact CG2-CD2 4.27Å; T57-Y339 HydrophobicContact CG2-CG 4.05Å; T57-E341 PolarHBondContact N-OE1 2.89Å; T57-E341 PolarHBondContact OG1-OE2 3.42Å
58	L	94.4	Very high	94.8	Very high	8 Å²	8	47.1 Å²	47.1	4%	0.042	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	-23.9	178.6	-64.6	174.6	0	0	0	112.7	K56 V66 L68 A79 F131 A333 F336 Y339	K56-L58 PolarHBondContact O-N 2.99Å; L58-V66 HydrophobicContact CB-CG1 4.42Å; L58-V66 HydrophobicContact CD1-CG1 4.39Å; L58-V66 PolarHBondContact N-O 3.4Å; L58-L68 HydrophobicContact CD1-CB 4.02Å; L58-L68 HydrophobicContact CD2-CB 4.03Å; L58-L68 HydrophobicContact CG-CB 3.97Å; L58-A79 HydrophobicContact CD1-CB 4.08Å; L58-F131 HydrophobicContact CD1-CD2 3.71Å; L58-F131 HydrophobicContact CD1-CE2 3.59Å; L58-F131 HydrophobicContact CD2-CE2 3.9Å; L58-F131 HydrophobicContact CD2-CZ 4.49Å; L58-F131 HydrophobicContact CG-CE2 4.42Å; L58-A333 HydrophobicContact CD2-CB 3.68Å; L58-F336 HydrophobicContact CB-CD1 4.14Å; L58-F336 HydrophobicContact CB-CE1 4.46Å; L58-F336 HydrophobicContact CD2-CB 4.2Å; L58-F336 HydrophobicContact CD2-CD1 4.24Å; L58-F336 HydrophobicContact CD2-CD2 3.87Å; L58-F336 HydrophobicContact CD2-CE2 4.28Å; L58-F336 HydrophobicContact CD2-CG 3.84Å; L58-Y339 WeakPolarHBondContact O-CE2 3.43Å
59	G	92.7	Very high	94.8	Very high	14 Å²	14	44.4 Å²	44.4	14%	0.144	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-176.2	156.9	-177.4	0	0	0	0	0	112.1	R65 V66	G59-R65 WeakPolarHBondContact O-CA 3.47Å; G59-V66 PolarHBondContact N-O 3.21Å; G59-V66 PolarHBondContact O-N 2.81Å
60	T	92.3	Very high	94.9	Very high	80 Å²	80	47.3 Å²	47.3	49%	0.491	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	139.8	177.9	57.3	0	0	0	0	110.4	T57 R65 Y339	T57-T60 HydrophobicContact CG2-CG2 4.04Å; T60-R65 HydrophobicContact CG2-CB 4.34Å; T60-Y339 HydrophobicContact CG2-CD1 3.79Å; T60-Y339 HydrophobicContact CG2-CE1 4.33Å; T60-Y339 HydrophobicContact CG2-CG 4.33Å
61	G	85.6	Confident	94.9	Very high	56 Å²	56	42.3 Å²	42.3	58%	0.577	24%	0.239	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-128.7	-179.8	175	0	0	0	0	0	112	F63 G64	G61-F63 PolarHBondContact O-N 3.37Å; G61-F63 VanDerWaalsContact O-N 3.07Å; G61-G64 PolarHBondContact N-O 2.81Å; G61-G64 PolarHBondContact O-N 3.2Å
62	S	84.8	Confident	94.9	Very high	93 Å²	93	44.9 Å²	44.9	65%	0.65	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-28	-174.8	-52.7	0	0	0	0	114.7
63	F	87	Confident	94.9	Very high	52 Å²	52	53.2 Å²	53.2	23%	0.228	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.6	-8.6	-172.5	-41.8	-63.1	0	0	0	113.7	G61 L83 D84 V88 L91 Q93	G61-F63 PolarHBondContact O-N 3.37Å; G61-F63 VanDerWaalsContact O-N 3.07Å; F63-L83 HydrophobicContact CB-CD2 3.84Å; F63-D84 PolarHBondContact O-N 3.36Å; F63-D84 VanDerWaalsContact O-N 3.11Å; F63-V88 HydrophobicContact CB-CG2 4.03Å; F63-V88 HydrophobicContact CG-CG2 4.35Å; F63-L91 HydrophobicContact CD1-CB 4.36Å; F63-L91 HydrophobicContact CD1-CD1 3.62Å; F63-L91 HydrophobicContact CE1-CB 3.84Å; F63-L91 HydrophobicContact CE1-CD1 3.47Å; F63-L91 VanDerWaalsContact CE1-CD1 3.47Å; F63-L91 HydrophobicContact CE1-CG 4.28Å; F63-Q93 HydrophobicContact CD1-CG 4.45Å; F63-Q93 HydrophobicContact CE1-CB 4.21Å; F63-Q93 HydrophobicContact CE1-CG 3.53Å; F63-Q93 HydrophobicContact CE2-CG 4.38Å; F63-Q93 HydrophobicContact CZ-CB 4.26Å; F63-Q93 HydrophobicContact CZ-CG 3.51Å
64	G	91.2	Very high	94.9	Very high	23 Å²	23	52.2 Å²	52.2	24%	0.237	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	165.1	-150.9	-171.2	0	0	0	0	0	113.4	G61 I82	G61-G64 PolarHBondContact N-O 2.81Å; G61-G64 PolarHBondContact O-N 3.2Å; G64-I82 VanDerWaalsContact CA-O 3.28Å; G64-I82 WeakPolarHBondContact CA-O 3.42Å
65	R	95.5	Very high	94.9	Very high	30 Å²	30	48 Å²	48	11%	0.113	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	157.7	-171.9	63.5	177.3	61.9	-143.1	-7.5	112	T57 G59 T60 M67 I82 E340 E341 E342	T57-R65 HydrophobicContact CG2-CB 4.23Å; T57-R65 PolarHBondContact OG1-NH1 3.46Å; G59-R65 WeakPolarHBondContact O-CA 3.47Å; T60-R65 HydrophobicContact CG2-CB 4.34Å; R65-M67 HydrophobicContact CG-CG 4.14Å; R65-I82 HydrophobicContact CG-CD1 4.46Å; R65-I82 PolarHBondContact N-O 2.95Å; R65-I82 PolarHBondContact O-N 3.3Å; R65-E340 PolarHBondContact NH1-O 3.26Å; R65-E341 IonicContact NH1-OE2 3.53Å; R65-E342 IonicContact CZ-OE2 3.79Å; R65-E342 VanDerWaalsContact NH1-N 3.15Å; R65-E342 VanDerWaalsContact NH2-CB 3.28Å; R65-E342 IonicContact NH2-OE1 2.57Å; R65-E342 IonicContact NH2-OE2 2.76Å; R65-E342 PolarHBondContact NH2-OE2 2.72Å
66	V	96.5	Very high	94.9	Very high	42 Å²	42	48 Å²	48	26%	0.255	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	125.6	170.8	-176.1	0	0	0	0	107.5	T57 L58 G59 A79 M80 K81	T57-V66 CarbonylContact C-O 3.56Å; L58-V66 HydrophobicContact CB-CG1 4.42Å; L58-V66 HydrophobicContact CD1-CG1 4.39Å; L58-V66 PolarHBondContact N-O 3.4Å; G59-V66 PolarHBondContact N-O 3.21Å; G59-V66 PolarHBondContact O-N 2.81Å; V66-A79 HydrophobicContact CG1-CB 3.88Å; V66-M80 CarbonylContact C-O 3.6Å; V66-M80 WeakPolarHBondContact CA-O 3.34Å; V66-K81 HydrophobicContact CG2-CB 4.12Å; V66-K81 HydrophobicContact CG2-CG 4.14Å
67	M	97.6	Very high	95	Very high	14 Å²	14	49.6 Å²	49.6	7%	0.069	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	140.4	178.8	-61.3	-170.7	78.4	0	0	111.1	R54 K56 R65 V69 A79 M80 I82	R54-M67 HydrophobicContact CB-CE 4.09Å; R54-M67 HydrophobicContact CB-SD 4.49Å; K56-M67 CarbonylContact O-C 3.58Å; K56-M67 VanDerWaalsContact O-CA 3.3Å; K56-M67 WeakPolarHBondContact O-CA 3.29Å; R65-M67 HydrophobicContact CG-CG 4.14Å; M67-V69 HydrophobicContact CB-CG1 4.25Å; M67-V69 PolarHBondContact O-N 3.29Å; M67-A79 CarbonylContact O-C 3.57Å; M67-A79 WeakPolarHBondContact O-CA 3.25Å; M67-M80 PolarHBondContact N-O 2.93Å; M67-M80 PolarHBondContact O-N 2.93Å; M67-I82 HydrophobicContact CG-CD1 4Å; M67-I82 HydrophobicContact SD-CD1 3.71Å
68	L	98.1	Very high	95.1	Very high	3 Å²	3	50.7 Å²	50.7	2%	0.016	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	126	160.4	179.8	63.6	0	0	0	108.3	I55 K56 L58 Y77 Y78 F131 G331 A333	I55-L68 HydrophobicContact CB-CB 4.41Å; I55-L68 HydrophobicContact CB-CD2 4.31Å; I55-L68 HydrophobicContact CB-CG 4.25Å; I55-L68 WeakPolarHBondContact CB-O 3.23Å; I55-L68 HydrophobicContact CD1-CD2 4.27Å; I55-L68 HydrophobicContact CD1-CG 4.09Å; I55-L68 HydrophobicContact CG2-CD2 4.2Å; I55-L68 PolarHBondContact N-O 3.03Å; K56-L68 PolarHBondContact O-N 3.31Å; L58-L68 HydrophobicContact CD1-CB 4.02Å; L58-L68 HydrophobicContact CD2-CB 4.03Å; L58-L68 HydrophobicContact CG-CB 3.97Å; L68-Y77 HydrophobicContact CD1-CD1 3.95Å; L68-Y77 HydrophobicContact CD1-CG 4.45Å; L68-Y77 HydrophobicContact CD2-CD1 4.44Å; L68-Y77 HydrophobicContact CG-CD1 4.28Å; L68-Y78 WeakPolarHBondContact CA-O 3.28Å; L68-F131 HydrophobicContact CD1-CB 4.37Å; L68-F131 HydrophobicContact CD1-CD1 3.7Å; L68-F131 HydrophobicContact CD1-CD2 3.86Å; L68-F131 HydrophobicContact CD1-CE1 3.86Å; L68-F131 HydrophobicContact CD1-CE2 4.03Å; L68-F131 HydrophobicContact CD1-CG 3.7Å; L68-F131 HydrophobicContact CD1-CZ 4.02Å; L68-G331 WeakPolarHBondContact CD2-O 3.42Å; L68-A333 HydrophobicContact CD2-CB 4.2Å
69	V	98.5	Very high	95.3	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	154.1	176.7	-55	0	0	0	0	110.6	F52 D53 R54 M67 Y77 Y78 M80	F52-V69 HydrophobicContact CB-CB 4.13Å; F52-V69 HydrophobicContact CB-CG2 4.31Å; F52-V69 HydrophobicContact CD1-CB 4.42Å; F52-V69 HydrophobicContact CD1-CG2 3.73Å; F52-V69 HydrophobicContact CE1-CG2 4.47Å; F52-V69 HydrophobicContact CG-CG2 4.26Å; D53-V69 CarbonylContact O-C 3.51Å; D53-V69 WeakPolarHBondContact O-CA 3.47Å; D53-V69 WeakPolarHBondContact O-CB 2.94Å; R54-V69 HydrophobicContact CG-CG1 4.11Å; M67-V69 HydrophobicContact CB-CG1 4.25Å; M67-V69 PolarHBondContact O-N 3.29Å; V69-Y77 CarbonylContact O-C 3.47Å; V69-Y77 VanDerWaalsContact O-CA 3.3Å; V69-Y77 WeakPolarHBondContact O-CA 3.24Å; V69-Y78 PolarHBondContact N-O 3.28Å; V69-Y78 PolarHBondContact O-N 3.05Å; V69-M80 HydrophobicContact CB-CB 4.48Å; V69-M80 HydrophobicContact CB-CE 4.37Å; V69-M80 HydrophobicContact CG1-CB 3.64Å; V69-M80 HydrophobicContact CG1-CE 3.97Å; V69-M80 HydrophobicContact CG1-CG 4.5Å; V69-M80 HydrophobicContact CG1-SD 4.12Å; V69-M80 HydrophobicContact CG2-CB 3.94Å; V69-M80 HydrophobicContact CG2-CE 3.97Å
70	K	98.6	Very high	95.6	Very high	77 Å²	77	50.2 Å²	50.2	34%	0.335	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	122.7	171.7	-173.3	-179.2	-179.5	-176	0	109	F52 D53 I55 K72 G75 N76 Y77	F52-K70 CarbonylContact C-O 3.46Å; F52-K70 WeakPolarHBondContact CA-O 3.43Å; D53-K70 HydrophobicContact CB-CB 4.47Å; D53-K70 PolarHBondContact N-O 2.9Å; D53-K70 PolarHBondContact O-N 3.3Å; I55-K70 HydrophobicContact CD1-CB 3.91Å; K70-K72 PolarHBondContact O-N 3.13Å; K70-G75 WeakPolarHBondContact CE-O 3.38Å; K70-N76 WeakPolarHBondContact CA-O 3.28Å; K70-Y77 HydrophobicContact CB-CD1 4.24Å; K70-Y77 HydrophobicContact CB-CE1 4.15Å; K70-Y77 HydrophobicContact CD-CE1 4.3Å; K70-Y77 HydrophobicContact CG-CE1 4.32Å
71	H	98.6	Very high	95.8	Very high	16 Å²	16	47.9 Å²	47.9	7%	0.074	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	121.1	173.9	-177.8	-125.6	0	0	0	109.4	D51 F52 Q73 S74 G75 N76 Y78	D51-H71 PolarHBondContact O-CD2 3.36Å; F52-H71 HydrophobicContact CD1-CB 3.95Å; F52-H71 HydrophobicContact CE1-CB 3.83Å; F52-H71 AromaticContact CE1-CD2 3.62Å; F52-H71 AromaticContact CZ-CD2 3.9Å; H71-Q73 VanDerWaalsContact C-N 3.34Å; H71-Q73 PolarHBondContact O-N 2.91Å; H71-S74 PolarHBondContact ND1-N 3.23Å; H71-S74 PolarHBondContact ND1-OG 3.33Å; H71-G75 VanDerWaalsContact O-CA 3.28Å; H71-G75 WeakPolarHBondContact O-CA 3.49Å; H71-G75 PolarHBondContact O-N 3.47Å; H71-N76 PolarHBondContact N-O 3.29Å; H71-Y78 HydrophobicContact CB-CD2 3.97Å; H71-Y78 HydrophobicContact CB-CE2 3.65Å
72	K	98.5	Very high	96.4	Very high	112 Å²	112	45.4 Å²	45.4	49%	0.487	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-41.9	-169.8	-71.4	174.8	179.3	170.7	0	112.5	D50 D51 D53 K70	D50-K72 WeakPolarHBondContact O-CD 3.22Å; D50-K72 VanDerWaalsContact O-CE 3.32Å; D50-K72 WeakPolarHBondContact O-CE 3.48Å; D50-K72 PolarHBondContact O-NZ 3.33Å; D51-K72 WeakPolarHBondContact O-CB 3.41Å; D51-K72 WeakPolarHBondContact O-CG 3.16Å; D51-K72 PolarHBondContact O-N 3.22Å; D53-K72 WeakPolarHBondContact OD1-CE 3.46Å; D53-K72 IonicContact OD1-NZ 3.83Å; K70-K72 PolarHBondContact O-N 3.13Å
73	Q	97.6	Very high	97	Very high	179 Å²	179	41.2 Å²	41.2	84%	0.836	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-46.2	-174.9	-170.8	-177.5	24.4	0	0	112.6	H71	H71-Q73 VanDerWaalsContact C-N 3.34Å; H71-Q73 PolarHBondContact O-N 2.91Å
74	S	97.5	Very high	97.4	Very high	57 Å²	57	40.8 Å²	40.8	40%	0.399	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-17.8	-176.3	65.2	0	0	0	0	113.9	H71 N76	H71-S74 PolarHBondContact ND1-N 3.23Å; H71-S74 PolarHBondContact ND1-OG 3.33Å; S74-N76 PolarHBondContact O-N 3.04Å; S74-N76 WeakPolarHBondContact OG-CB 3.4Å; S74-N76 PolarHBondContact OG-N 3.42Å; S74-N76 PolarHBondContact OG-ND2 3.42Å
75	G	97.5	Very high	97.8	Very high	28 Å²	28	39.8 Å²	39.8	29%	0.289	20%	0.201	S	C	.	.			trans	73.1	1.4	-172.8	0	0	0	0	0	114.6	K70 H71	K70-G75 WeakPolarHBondContact CE-O 3.38Å; H71-G75 VanDerWaalsContact O-CA 3.28Å; H71-G75 WeakPolarHBondContact O-CA 3.49Å; H71-G75 PolarHBondContact O-N 3.47Å
76	N	97.9	Very high	97.8	Very high	85 Å²	85	43.6 Å²	43.6	46%	0.455	22%	0.22	S	C	.	.			trans	-73.6	147.6	-179.6	-67.8	-18.9	0	0	0	111.9	K70 H71 S74 Y78	K70-N76 WeakPolarHBondContact CA-O 3.28Å; H71-N76 PolarHBondContact N-O 3.29Å; S74-N76 PolarHBondContact O-N 3.04Å; S74-N76 WeakPolarHBondContact OG-CB 3.4Å; S74-N76 PolarHBondContact OG-N 3.42Å; S74-N76 PolarHBondContact OG-ND2 3.42Å; N76-Y78 HydrophobicContact CB-CD2 4.46Å; N76-Y78 HydrophobicContact CB-CE2 3.63Å
77	Y	98.2	Very high	97.8	Very high	72 Å²	72	46.3 Å²	46.3	28%	0.282	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	142.6	175.2	-66.6	-93.7	0	0	0	111.2	I55 L68 V69 K70 P330	I55-Y77 HydrophobicContact CD1-CD1 3.78Å; I55-Y77 HydrophobicContact CD1-CE1 3.48Å; I55-Y77 VanDerWaalsContact CD1-CE1 3.48Å; L68-Y77 HydrophobicContact CD1-CD1 3.95Å; L68-Y77 HydrophobicContact CD1-CG 4.45Å; L68-Y77 HydrophobicContact CD2-CD1 4.44Å; L68-Y77 HydrophobicContact CG-CD1 4.28Å; V69-Y77 CarbonylContact O-C 3.47Å; V69-Y77 VanDerWaalsContact O-CA 3.3Å; V69-Y77 WeakPolarHBondContact O-CA 3.24Å; K70-Y77 HydrophobicContact CB-CD1 4.24Å; K70-Y77 HydrophobicContact CB-CE1 4.15Å; K70-Y77 HydrophobicContact CD-CE1 4.3Å; K70-Y77 HydrophobicContact CG-CE1 4.32Å; Y77-P330 HydrophobicContact CD2-CB 3.77Å; Y77-P330 HydrophobicContact CE2-CB 4.04Å
78	Y	98.6	Very high	97.8	Very high	23 Å²	23	45.6 Å²	45.6	9%	0.09	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	159.9	-179.7	-64.2	-80.8	0	0	0	111.1	F52 L68 V69 H71 N76 T116 F117 V128 L129	F52-Y78 HydrophobicContact CE1-CD2 4.24Å; L68-Y78 WeakPolarHBondContact CA-O 3.28Å; V69-Y78 PolarHBondContact N-O 3.28Å; V69-Y78 PolarHBondContact O-N 3.05Å; H71-Y78 HydrophobicContact CB-CD2 3.97Å; H71-Y78 HydrophobicContact CB-CE2 3.65Å; N76-Y78 HydrophobicContact CB-CD2 4.46Å; N76-Y78 HydrophobicContact CB-CE2 3.63Å; Y78-T116 HydrophobicContact CE1-CG2 4.06Å; Y78-T116 WeakPolarHBondContact CE1-OG1 3.28Å; Y78-F117 HydrophobicContact CE1-CE2 4.37Å; Y78-F117 HydrophobicContact CE2-CE2 4.04Å; Y78-F117 AromaticContact CZ-CE2 3.9Å; Y78-V128 HydrophobicContact CD1-CG1 4.03Å; Y78-V128 HydrophobicContact CD2-CG1 4.24Å; Y78-V128 HydrophobicContact CG-CG1 3.64Å; Y78-L129 WeakPolarHBondContact CA-O 3.5Å; Y78-L129 WeakPolarHBondContact CB-O 3.38Å; Y78-L129 WeakPolarHBondContact CD1-O 3.45Å
79	A	98.2	Very high	97.8	Very high	12 Å²	12	47.8 Å²	47.8	10%	0.099	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	109.5	167	0	0	0	0	0	108.7	L58 V66 M67 L129	L58-A79 HydrophobicContact CD1-CB 4.08Å; V66-A79 HydrophobicContact CG1-CB 3.88Å; M67-A79 CarbonylContact O-C 3.57Å; M67-A79 WeakPolarHBondContact O-CA 3.25Å; A79-L129 PolarHBondContact N-O 2.95Å; A79-L129 WeakPolarHBondContact O-CD1 3.41Å; A79-L129 PolarHBondContact O-N 3.34Å
80	M	98.3	Very high	97.7	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	107.2	178.1	-176.3	-178.9	-69.5	0	0	110	L49 F52 V66 M67 V69 I82 F119 Y126 M127 V128	L49-M80 HydrophobicContact CD1-CE 4.34Å; L49-M80 HydrophobicContact CD1-SD 3.87Å; F52-M80 HydrophobicContact CB-CE 3.77Å; F52-M80 HydrophobicContact CD1-CE 4.08Å; F52-M80 HydrophobicContact CD2-CE 3.46Å; F52-M80 VanDerWaalsContact CD2-CE 3.46Å; F52-M80 HydrophobicContact CE2-CE 4.05Å; F52-M80 HydrophobicContact CG-CE 3.49Å; F52-M80 VanDerWaalsContact CG-CE 3.49Å; V66-M80 CarbonylContact C-O 3.6Å; V66-M80 WeakPolarHBondContact CA-O 3.34Å; M67-M80 PolarHBondContact N-O 2.93Å; M67-M80 PolarHBondContact O-N 2.93Å; V69-M80 HydrophobicContact CB-CB 4.48Å; V69-M80 HydrophobicContact CB-CE 4.37Å; V69-M80 HydrophobicContact CG1-CB 3.64Å; V69-M80 HydrophobicContact CG1-CE 3.97Å; V69-M80 HydrophobicContact CG1-CG 4.5Å; V69-M80 HydrophobicContact CG1-SD 4.12Å; V69-M80 HydrophobicContact CG2-CB 3.94Å; V69-M80 HydrophobicContact CG2-CE 3.97Å; M80-I82 HydrophobicContact CG-CG1 3.89Å; M80-I82 HydrophobicContact SD-CD1 4.3Å; M80-I82 HydrophobicContact SD-CG1 4.16Å; M80-F119 HydrophobicContact CE-CZ 4.13Å; M80-Y126 HydrophobicContact CG-CD1 4.19Å; M80-Y126 HydrophobicContact SD-CD1 3.78Å; M80-Y126 HydrophobicContact SD-CE1 4.33Å; M80-M127 CarbonylContact C-O 3.53Å; M80-M127 WeakPolarHBondContact CA-O 3.47Å; M80-V128 HydrophobicContact CE-CG2 3.94Å; M80-V128 HydrophobicContact CG-CG2 4.21Å
81	K	97.3	Very high	97.4	Very high	31 Å²	31	56.5 Å²	56.5	14%	0.135	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	116.3	169.7	-175.3	167.5	176.3	180	0	108.6	V66 L83 E100 Y126 M127 L129 D193	V66-K81 HydrophobicContact CG2-CB 4.12Å; V66-K81 HydrophobicContact CG2-CG 4.14Å; K81-L83 HydrophobicContact CG-CD2 4.17Å; K81-L83 HydrophobicContact CG-CG 4.36Å; K81-E100 VanDerWaalsContact NZ-CD 3.29Å; K81-E100 IonicContact NZ-OE1 2.74Å; K81-E100 PolarHBondContact NZ-OE1 3.28Å; K81-E100 IonicContact NZ-OE2 3.29Å; K81-E100 PolarHBondContact NZ-OE2 3.04Å; K81-E100 VanDerWaalsContact NZ-OE2 3.12Å; K81-Y126 WeakPolarHBondContact O-CA 3.5Å; K81-M127 HydrophobicContact CB-CB 4.36Å; K81-M127 HydrophobicContact CD-CE 3.87Å; K81-M127 HydrophobicContact CG-CE 4.21Å; K81-M127 PolarHBondContact N-O 3.4Å; K81-M127 PolarHBondContact O-N 3.26Å; K81-L129 HydrophobicContact CB-CD1 3.91Å; K81-D193 IonicContact NZ-OD1 3.71Å; K81-D193 PolarHBondContact NZ-OD1 3.2Å
82	I	97.8	Very high	97.2	Very high	5 Å²	5	64.6 Å²	64.6	3%	0.026	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	121.7	-177.5	-51.3	172.7	0	0	0	107.9	G64 R65 M67 M80 N124 Y126 L344	G64-I82 VanDerWaalsContact CA-O 3.28Å; G64-I82 WeakPolarHBondContact CA-O 3.42Å; R65-I82 HydrophobicContact CG-CD1 4.46Å; R65-I82 PolarHBondContact N-O 2.95Å; R65-I82 PolarHBondContact O-N 3.3Å; M67-I82 HydrophobicContact CG-CD1 4Å; M67-I82 HydrophobicContact SD-CD1 3.71Å; M80-I82 HydrophobicContact CG-CG1 3.89Å; M80-I82 HydrophobicContact SD-CD1 4.3Å; M80-I82 HydrophobicContact SD-CG1 4.16Å; I82-N124 HydrophobicContact CG2-CB 4.1Å; I82-Y126 HydrophobicContact CB-CD1 4.43Å; I82-Y126 HydrophobicContact CB-CE1 4.4Å; I82-Y126 HydrophobicContact CD1-CE1 4.46Å; I82-Y126 HydrophobicContact CG1-CD1 3.97Å; I82-Y126 HydrophobicContact CG1-CE1 4.05Å; I82-Y126 HydrophobicContact CG2-CD1 4.15Å; I82-Y126 HydrophobicContact CG2-CE1 3.71Å; I82-L344 HydrophobicContact CD1-CD2 4.32Å; I82-L344 HydrophobicContact CG2-CD1 3.77Å
83	L	97.1	Very high	97	Very high	4 Å²	4	61.3 Å²	61.3	2%	0.021	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	127.7	-178	-54.9	170.3	0	0	0	110.5	F63 K81 K85 V88 T97 N124 L125 M127	F63-L83 HydrophobicContact CB-CD2 3.84Å; K81-L83 HydrophobicContact CG-CD2 4.17Å; K81-L83 HydrophobicContact CG-CG 4.36Å; L83-K85 PolarHBondContact O-N 2.82Å; L83-V88 HydrophobicContact CB-CG2 4.18Å; L83-T97 HydrophobicContact CD1-CG2 3.66Å; L83-N124 CarbonylContact O-C 3.52Å; L83-N124 WeakPolarHBondContact O-CA 3.49Å; L83-L125 HydrophobicContact CB-CB 4.25Å; L83-L125 PolarHBondContact N-O 2.86Å; L83-L125 PolarHBondContact O-N 2.84Å; L83-M127 HydrophobicContact CD1-CE 3.57Å
84	D	97.3	Very high	96.9	Very high	44 Å²	44	54.4 Å²	54.4	24%	0.235	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	117.9	174.6	176.2	-41.9	0	0	0	109.7	F63 Q86 K87 V88	F63-D84 PolarHBondContact O-N 3.36Å; F63-D84 VanDerWaalsContact O-N 3.11Å; D84-Q86 VanDerWaalsContact C-N 3.28Å; D84-Q86 PolarHBondContact O-N 3.43Å; D84-Q86 WeakPolarHBondContact OD1-CA 3.14Å; D84-Q86 WeakPolarHBondContact OD1-CB 3.21Å; D84-Q86 PolarHBondContact OD1-N 3.42Å; D84-K87 HydrophobicContact CB-CB 3.98Å; D84-K87 HydrophobicContact CB-CD 3.94Å; D84-K87 HydrophobicContact CB-CG 3.9Å; D84-K87 PolarHBondContact O-N 2.9Å; D84-K87 VanDerWaalsContact O-N 3.17Å; D84-K87 PolarHBondContact OD1-N 3.38Å; D84-V88 WeakPolarHBondContact O-CG2 3.37Å; D84-V88 PolarHBondContact O-N 2.83Å
85	K	97.9	Very high	96.8	Very high	1 Å²	1	56.8 Å²	56.8	0%	0.004	28%	0.276	C	S	.	.	H	α-helix	trans	-56.5	-41.4	-177.4	-72.1	-179.3	179.9	-177.4	0	112.3	L83 V88 V89 D121 S123 N124 L125 K351 C352 F356	L83-K85 PolarHBondContact O-N 2.82Å; K85-V88 PolarHBondContact O-N 2.91Å; K85-V89 WeakPolarHBondContact O-CG2 3Å; K85-V89 PolarHBondContact O-N 2.85Å; K85-D121 WeakPolarHBondContact CE-O 3.34Å; K85-D121 PolarHBondContact NZ-O 3.28Å; K85-S123 VanDerWaalsContact CB-O 3.31Å; K85-S123 WeakPolarHBondContact CB-O 3.15Å; K85-S123 VanDerWaalsContact CG-O 3.3Å; K85-S123 WeakPolarHBondContact CG-O 3.14Å; K85-S123 PolarHBondContact N-O 3.08Å; K85-N124 WeakPolarHBondContact CE-O 3.47Å; K85-L125 HydrophobicContact CD-CD2 4.25Å; K85-L125 HydrophobicContact CG-CD1 4.5Å; K85-L125 HydrophobicContact CG-CD2 3.91Å; K85-L125 HydrophobicContact CG-CG 3.83Å; K85-K351 WeakPolarHBondContact CD-O 2.97Å; K85-K351 PolarHBondContact NZ-O 3.08Å; K85-C352 HydrophobicContact CB-CB 4.05Å; K85-C352 HydrophobicContact CD-CB 4.45Å; K85-F356 HydrophobicContact CB-CD2 4.05Å; K85-F356 HydrophobicContact CB-CE2 3.74Å; K85-F356 HydrophobicContact CD-CD2 4.03Å; K85-F356 HydrophobicContact CG-CD2 3.8Å; K85-F356 HydrophobicContact CG-CE2 3.93Å
86	Q	97.1	Very high	96.5	Very high	111 Å²	111	56.9 Å²	56.9	52%	0.519	27%	0.269	S	S	.	.	H	α-helix	trans	-69.9	-39	-178.5	-58.5	-170.7	-91.1	0	0	111.1	D84 V89 K90 K351	D84-Q86 VanDerWaalsContact C-N 3.28Å; D84-Q86 PolarHBondContact O-N 3.43Å; D84-Q86 WeakPolarHBondContact OD1-CA 3.14Å; D84-Q86 WeakPolarHBondContact OD1-CB 3.21Å; D84-Q86 PolarHBondContact OD1-N 3.42Å; Q86-V89 PolarHBondContact O-N 2.68Å; Q86-K90 VanDerWaalsContact O-CB 3.25Å; Q86-K90 WeakPolarHBondContact O-CB 3.33Å; Q86-K90 PolarHBondContact O-N 3.08Å; Q86-K351 HydrophobicContact CG-CB 4.15Å; Q86-K351 HydrophobicContact CG-CG 4.32Å
87	K	96.6	Very high	96.4	Very high	98 Å²	98	53.1 Å²	53.1	43%	0.426	25%	0.249	S	C	.	.	H	α-helix	trans	-63.2	-43.5	174	-69.8	-175	-173.2	176.7	0	111.6	D84 V89 K90 L91	D84-K87 HydrophobicContact CB-CB 3.98Å; D84-K87 HydrophobicContact CB-CD 3.94Å; D84-K87 HydrophobicContact CB-CG 3.9Å; D84-K87 PolarHBondContact O-N 2.9Å; D84-K87 VanDerWaalsContact O-N 3.17Å; D84-K87 PolarHBondContact OD1-N 3.38Å; K87-V89 PolarHBondContact O-N 3.28Å; K87-K90 PolarHBondContact O-N 3.08Å; K87-L91 WeakPolarHBondContact O-CB 3.46Å; K87-L91 WeakPolarHBondContact O-CG 3.49Å; K87-L91 PolarHBondContact O-N 2.55Å
88	V	97.1	Very high	96.2	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-60.3	-45.7	177.4	175.1	0	0	0	0	111.2	F63 L83 D84 K85 L91 K92 Q93 V94 T97 F356	F63-V88 HydrophobicContact CB-CG2 4.03Å; F63-V88 HydrophobicContact CG-CG2 4.35Å; L83-V88 HydrophobicContact CB-CG2 4.18Å; D84-V88 WeakPolarHBondContact O-CG2 3.37Å; D84-V88 PolarHBondContact O-N 2.83Å; K85-V88 PolarHBondContact O-N 2.91Å; V88-L91 PolarHBondContact O-N 2.87Å; V88-K92 PolarHBondContact O-N 3.06Å; V88-Q93 HydrophobicContact CG1-CB 4.04Å; V88-Q93 PolarHBondContact O-N 3.45Å; V88-V94 HydrophobicContact CG1-CG2 4.43Å; V88-T97 VanDerWaalsContact CG1-OG1 3.27Å; V88-T97 WeakPolarHBondContact CG1-OG1 3.33Å; V88-F356 HydrophobicContact CB-CZ 3.85Å; V88-F356 HydrophobicContact CG1-CE1 3.87Å; V88-F356 HydrophobicContact CG1-CZ 3.52Å
89	V	97.1	Very high	96	Very high	48 Å²	48	51.8 Å²	51.8	29%	0.291	25%	0.248	S	C	.	.	H	α-helix	trans	-63.9	-47.7	176.2	171.9	0	0	0	0	111.3	K85 Q86 K87 L91 K92 V94 C352 E355 F356	K85-V89 WeakPolarHBondContact O-CG2 3Å; K85-V89 PolarHBondContact O-N 2.85Å; Q86-V89 PolarHBondContact O-N 2.68Å; K87-V89 PolarHBondContact O-N 3.28Å; V89-L91 VanDerWaalsContact C-N 3.26Å; V89-L91 PolarHBondContact O-N 3.35Å; V89-K92 PolarHBondContact O-N 3.49Å; V89-V94 HydrophobicContact CB-CG2 4.44Å; V89-V94 HydrophobicContact CG2-CG2 3.76Å; V89-C352 HydrophobicContact CG2-CB 4.06Å; V89-E355 HydrophobicContact CG2-CB 4.29Å; V89-E355 HydrophobicContact CG2-CG 4.17Å; V89-F356 HydrophobicContact CG2-CE2 3.8Å; V89-F356 HydrophobicContact CG2-CZ 4.04Å
90	K	96.3	Very high	96	Very high	175 Å²	175	51.6 Å²	51.6	76%	0.761	25%	0.245	S	C	*	.	H	α-helix	trans	-57.9	-39	-179.8	-176.6	179.3	178.6	-178	0	112.3	Q86 K87 K92	Q86-K90 VanDerWaalsContact O-CB 3.25Å; Q86-K90 WeakPolarHBondContact O-CB 3.33Å; Q86-K90 PolarHBondContact O-N 3.08Å; K87-K90 PolarHBondContact O-N 3.08Å; K90-K92 VanDerWaalsContact C-N 3.29Å
91	L	93.9	Very high	95.9	Very high	85 Å²	85	51.8 Å²	51.8	45%	0.445	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	7.6	179.4	-64.9	173.4	0	0	0	113.4	F63 K87 V88 V89 Q93	F63-L91 HydrophobicContact CD1-CB 4.36Å; F63-L91 HydrophobicContact CD1-CD1 3.62Å; F63-L91 HydrophobicContact CE1-CB 3.84Å; F63-L91 HydrophobicContact CE1-CD1 3.47Å; F63-L91 VanDerWaalsContact CE1-CD1 3.47Å; F63-L91 HydrophobicContact CE1-CG 4.28Å; K87-L91 WeakPolarHBondContact O-CB 3.46Å; K87-L91 WeakPolarHBondContact O-CG 3.49Å; K87-L91 PolarHBondContact O-N 2.55Å; V88-L91 PolarHBondContact O-N 2.87Å; V89-L91 VanDerWaalsContact C-N 3.26Å; V89-L91 PolarHBondContact O-N 3.35Å; L91-Q93 VanDerWaalsContact C-N 3.3Å; L91-Q93 HydrophobicContact CB-CG 4.18Å; L91-Q93 WeakPolarHBondContact O-CG 3.4Å; L91-Q93 PolarHBondContact O-N 3.25Å; L91-Q93 PolarHBondContact O-NE2 3.18Å; L91-Q93 VanDerWaalsContact O-NE2 3.15Å
92	K	94.4	Very high	95.9	Very high	187 Å²	187	54.1 Å²	54.1	81%	0.813	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.2	38.7	178	-55	-177.4	179.5	-179.4	0	113.4	V88 V89 K90	V88-K92 PolarHBondContact O-N 3.06Å; V89-K92 PolarHBondContact O-N 3.49Å; K90-K92 VanDerWaalsContact C-N 3.29Å
93	Q	94.1	Very high	95.9	Very high	43 Å²	43	53.9 Å²	53.9	20%	0.201	25%	0.252	C	S	.	.			trans	-106.8	17.4	-177.2	-60.8	-59.7	-49.7	0	0	113.7	F63 V88 L91 H96 T97	F63-Q93 HydrophobicContact CD1-CG 4.45Å; F63-Q93 HydrophobicContact CE1-CB 4.21Å; F63-Q93 HydrophobicContact CE1-CG 3.53Å; F63-Q93 HydrophobicContact CE2-CG 4.38Å; F63-Q93 HydrophobicContact CZ-CB 4.26Å; F63-Q93 HydrophobicContact CZ-CG 3.51Å; V88-Q93 HydrophobicContact CG1-CB 4.04Å; V88-Q93 PolarHBondContact O-N 3.45Å; L91-Q93 VanDerWaalsContact C-N 3.3Å; L91-Q93 HydrophobicContact CB-CG 4.18Å; L91-Q93 WeakPolarHBondContact O-CG 3.4Å; L91-Q93 PolarHBondContact O-N 3.25Å; L91-Q93 PolarHBondContact O-NE2 3.18Å; L91-Q93 VanDerWaalsContact O-NE2 3.15Å; Q93-H96 PolarHBondContact O-N 2.96Å; Q93-H96 PolarHBondContact OE1-ND1 3.46Å; Q93-T97 WeakPolarHBondContact O-CB 3.24Å; Q93-T97 PolarHBondContact O-N 3.26Å; Q93-T97 PolarHBondContact O-OG1 3.12Å
94	V	95.7	Very high	95.9	Very high	33 Å²	33	53.8 Å²	53.8	20%	0.2	25%	0.252	C	S	.	.	H	α-helix	trans	-57.8	-53	-179.1	179.2	0	0	0	0	111.1	V88 V89 H96 T97 L98 E355 F356	V88-V94 HydrophobicContact CG1-CG2 4.43Å; V89-V94 HydrophobicContact CB-CG2 4.44Å; V89-V94 HydrophobicContact CG2-CG2 3.76Å; V94-H96 PolarHBondContact O-N 3.07Å; V94-T97 PolarHBondContact O-N 3.3Å; V94-L98 HydrophobicContact CG1-CD1 4.05Å; V94-L98 WeakPolarHBondContact O-CG 3.22Å; V94-L98 PolarHBondContact O-N 3.48Å; V94-E355 HydrophobicContact CG1-CB 4.17Å; V94-E355 WeakPolarHBondContact CG1-O 3.42Å; V94-E355 HydrophobicContact CG2-CB 4.44Å; V94-F356 HydrophobicContact CB-CE1 4.33Å; V94-F356 HydrophobicContact CG1-CD1 4.38Å; V94-F356 HydrophobicContact CG1-CE1 3.93Å; V94-F356 HydrophobicContact CG1-CZ 4.41Å; V94-F356 HydrophobicContact CG2-CE1 4.25Å; V94-F356 HydrophobicContact CG2-CZ 3.97Å
95	E	93.6	Very high	95.9	Very high	107 Å²	107	52.9 Å²	52.9	50%	0.5	25%	0.247	S	C	.	.	H	α-helix	trans	-61.9	-42.9	-179.6	-166.4	-163.1	144.3	0	0	111.6	T97 L98 N99 K198	E95-T97 PolarHBondContact O-N 2.92Å; E95-L98 PolarHBondContact O-N 2.97Å; E95-N99 VanDerWaalsContact O-CB 3.27Å; E95-N99 WeakPolarHBondContact O-CB 3.46Å; E95-N99 PolarHBondContact O-N 2.97Å; E95-N99 PolarHBondContact O-ND2 3.16Å; E95-N99 PolarHBondContact OE1-ND2 3.36Å; E95-K198 IonicContact OE1-NZ 3Å; E95-K198 PolarHBondContact OE1-NZ 2.9Å
96	H	91.6	Very high	95.9	Very high	31 Å²	31	52.9 Å²	52.9	14%	0.144	25%	0.246	C	C	.	.	H	α-helix	trans	-63.8	-40.2	177.9	-69.2	157	0	0	0	112.2	Q93 V94 N99 E100	Q93-H96 PolarHBondContact O-N 2.96Å; Q93-H96 PolarHBondContact OE1-ND1 3.46Å; V94-H96 PolarHBondContact O-N 3.07Å; H96-N99 PolarHBondContact O-N 3Å; H96-E100 WeakPolarHBondContact O-CB 3.46Å; H96-E100 PolarHBondContact O-N 2.97Å
97	T	95.4	Very high	95.9	Very high	5 Å²	5	47.8 Å²	47.8	3%	0.031	22%	0.223	C	C	.	.	H	α-helix	trans	-67.6	-42.4	178.2	-56	0	0	0	0	111.7	L83 V88 Q93 V94 E95 E100 K101 L125 F359	L83-T97 HydrophobicContact CD1-CG2 3.66Å; V88-T97 VanDerWaalsContact CG1-OG1 3.27Å; V88-T97 WeakPolarHBondContact CG1-OG1 3.33Å; Q93-T97 WeakPolarHBondContact O-CB 3.24Å; Q93-T97 PolarHBondContact O-N 3.26Å; Q93-T97 PolarHBondContact O-OG1 3.12Å; V94-T97 PolarHBondContact O-N 3.3Å; E95-T97 PolarHBondContact O-N 2.92Å; T97-E100 PolarHBondContact O-N 3.14Å; T97-K101 PolarHBondContact O-N 2.9Å; T97-K101 VanDerWaalsContact O-N 3.09Å; T97-L125 HydrophobicContact CG2-CD1 3.67Å; T97-F359 HydrophobicContact CG2-CD2 4.48Å; T97-F359 HydrophobicContact CG2-CE2 4.13Å
98	L	95.9	Very high	95.9	Very high	37 Å²	37	47 Å²	47	19%	0.194	22%	0.223	C	C	.	.	H	α-helix	trans	-65.2	-41.8	175	-68.9	174.1	0	0	0	111.3	V94 E95 R102 F356 F359	V94-L98 HydrophobicContact CG1-CD1 4.05Å; V94-L98 WeakPolarHBondContact O-CG 3.22Å; V94-L98 PolarHBondContact O-N 3.48Å; E95-L98 PolarHBondContact O-N 2.97Å; L98-R102 WeakPolarHBondContact O-CB 3.17Å; L98-R102 PolarHBondContact O-N 3.2Å; L98-F356 HydrophobicContact CD2-CD1 4.34Å; L98-F359 HydrophobicContact CD2-CB 3.99Å; L98-F359 HydrophobicContact CD2-CD2 4.3Å
99	N	94.3	Very high	95.9	Very high	30 Å²	30	47.2 Å²	47.2	16%	0.16	22%	0.224	C	C	.	.	H	α-helix	trans	-62.5	-45.8	175.4	-76.6	-28	0	0	0	111.6	E95 H96 R102 I103	E95-N99 VanDerWaalsContact O-CB 3.27Å; E95-N99 WeakPolarHBondContact O-CB 3.46Å; E95-N99 PolarHBondContact O-N 2.97Å; E95-N99 PolarHBondContact O-ND2 3.16Å; E95-N99 PolarHBondContact OE1-ND2 3.36Å; H96-N99 PolarHBondContact O-N 3Å; N99-R102 PolarHBondContact O-N 3.36Å; N99-I103 WeakPolarHBondContact O-CB 3.26Å; N99-I103 WeakPolarHBondContact O-CG1 3.39Å; N99-I103 PolarHBondContact O-N 2.64Å
100	E	96.3	Very high	95.9	Very high	9 Å²	9	46.6 Å²	46.6	4%	0.042	22%	0.221	C	C	.	.	H	α-helix	trans	-55.2	-55.4	177.5	177.7	174.6	-161.9	0	0	110.5	K81 H96 T97 R102 I103 L104 M127 F194	K81-E100 VanDerWaalsContact NZ-CD 3.29Å; K81-E100 IonicContact NZ-OE1 2.74Å; K81-E100 PolarHBondContact NZ-OE1 3.28Å; K81-E100 IonicContact NZ-OE2 3.29Å; K81-E100 PolarHBondContact NZ-OE2 3.04Å; K81-E100 VanDerWaalsContact NZ-OE2 3.12Å; H96-E100 WeakPolarHBondContact O-CB 3.46Å; H96-E100 PolarHBondContact O-N 2.97Å; T97-E100 PolarHBondContact O-N 3.14Å; E100-R102 VanDerWaalsContact C-N 3.32Å; E100-R102 PolarHBondContact O-N 2.9Å; E100-I103 PolarHBondContact O-N 2.78Å; E100-L104 HydrophobicContact CG-CD1 3.76Å; E100-L104 HydrophobicContact CG-CG 4.47Å; E100-L104 WeakPolarHBondContact O-CB 3.49Å; E100-L104 WeakPolarHBondContact O-CG 3.39Å; E100-L104 PolarHBondContact O-N 3.16Å; E100-M127 HydrophobicContact CG-CE 4.35Å; E100-M127 HydrophobicContact CG-SD 4.24Å; E100-F194 HydrophobicContact CG-CB 4.03Å; E100-F194 PolarHBondContact OE1-N 3.36Å
101	K	97.3	Very high	96	Very high	4 Å²	4	38.3 Å²	38.3	2%	0.017	19%	0.185	C	C	.	.	H	α-helix	trans	-59.2	-43.8	178.7	-175.4	-93.8	172.7	165.3	0	111.6	A43 T97 I103 L104 Q105 M115 S118 M127 F359	A43-K101 PolarHBondContact O-NZ 2.94Å; T97-K101 PolarHBondContact O-N 2.9Å; T97-K101 VanDerWaalsContact O-N 3.09Å; K101-I103 VanDerWaalsContact C-N 3.33Å; K101-I103 PolarHBondContact O-N 3.39Å; K101-L104 PolarHBondContact O-N 3.38Å; K101-Q105 WeakPolarHBondContact O-CG 3.25Å; K101-Q105 PolarHBondContact O-N 3.4Å; K101-Q105 VanDerWaalsContact O-N 3.12Å; K101-M115 HydrophobicContact CG-CE 4.15Å; K101-M115 HydrophobicContact CG-SD 4.49Å; K101-S118 WeakPolarHBondContact CE-OG 3.48Å; K101-M127 HydrophobicContact CB-SD 3.99Å; K101-M127 HydrophobicContact CG-CG 4.5Å; K101-M127 HydrophobicContact CG-SD 4.43Å; K101-F359 HydrophobicContact CB-CD2 4.23Å; K101-F359 HydrophobicContact CB-CE2 3.78Å; K101-F359 HydrophobicContact CB-CZ 4.27Å; K101-F359 WeakPolarHBondContact CD-OXT 3.29Å; K101-F359 WeakPolarHBondContact CE-OXT 3.26Å; K101-F359 HydrophobicContact CG-CD2 4.27Å; K101-F359 HydrophobicContact CG-CE1 4.38Å; K101-F359 HydrophobicContact CG-CE2 3.87Å; K101-F359 HydrophobicContact CG-CZ 3.92Å; K101-F359 PolarHBondContact NZ-OXT 3.41Å
102	R	97.2	Very high	96.2	Very high	79 Å²	79	34.2 Å²	34.2	30%	0.298	16%	0.164	S	C	.	.	H	α-helix	trans	-66.8	-34.3	-177.3	-168.1	178.3	-175.7	159.7	5.1	112.8	W39 L98 N99 E100 Q105 A106	W39-R102 HydrophobicContact CD2-CG 4.34Å; W39-R102 HydrophobicContact CE3-CG 3.89Å; W39-R102 HydrophobicContact CH2-CB 4.42Å; W39-R102 HydrophobicContact CH2-CG 3.93Å; W39-R102 HydrophobicContact CZ2-CG 4.37Å; W39-R102 HydrophobicContact CZ3-CB 4.17Å; W39-R102 HydrophobicContact CZ3-CG 3.67Å; W39-R102 PolarHBondContact O-NE 3.2Å; W39-R102 PolarHBondContact O-NH2 3.02Å; L98-R102 WeakPolarHBondContact O-CB 3.17Å; L98-R102 PolarHBondContact O-N 3.2Å; N99-R102 PolarHBondContact O-N 3.36Å; E100-R102 VanDerWaalsContact C-N 3.32Å; E100-R102 PolarHBondContact O-N 2.9Å; R102-Q105 VanDerWaalsContact O-CG 3.31Å; R102-Q105 WeakPolarHBondContact O-CG 3.33Å; R102-Q105 PolarHBondContact O-NE2 3.45Å; R102-A106 WeakPolarHBondContact O-CB 2.83Å
103	I	97.7	Very high	96.3	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-73.2	-51.4	174.9	-67.6	166.8	0	0	0	109.8	W39 N99 E100 K101 Q105 A106 I107 L171 F194 A197	W39-I103 HydrophobicContact CH2-CG1 4.16Å; W39-I103 HydrophobicContact CZ3-CG1 3.66Å; N99-I103 WeakPolarHBondContact O-CB 3.26Å; N99-I103 WeakPolarHBondContact O-CG1 3.39Å; N99-I103 PolarHBondContact O-N 2.64Å; E100-I103 PolarHBondContact O-N 2.78Å; K101-I103 VanDerWaalsContact C-N 3.33Å; K101-I103 PolarHBondContact O-N 3.39Å; I103-Q105 VanDerWaalsContact C-N 3.29Å; I103-Q105 PolarHBondContact O-N 3.29Å; I103-A106 PolarHBondContact O-N 2.76Å; I103-I107 HydrophobicContact CG2-CD1 4.35Å; I103-I107 HydrophobicContact CG2-CG2 3.95Å; I103-I107 PolarHBondContact O-N 2.94Å; I103-L171 HydrophobicContact CD1-CD2 3.86Å; I103-L171 HydrophobicContact CG1-CD2 3.8Å; I103-L171 HydrophobicContact CG2-CD1 3.99Å; I103-L171 HydrophobicContact CG2-CD2 4.21Å; I103-F194 HydrophobicContact CG2-CD1 3.67Å; I103-F194 HydrophobicContact CG2-CE1 4.14Å; I103-A197 VanDerWaalsContact CD1-C 3.47Å; I103-A197 HydrophobicContact CD1-CB 3.58Å; I103-A197 WeakPolarHBondContact CD1-O 3.42Å
104	L	97.6	Very high	96.5	Very high	3 Å²	3	25.8 Å²	25.8	2%	0.016	13%	0.129	C	C	.	.	H	α-helix	trans	-58.7	-35.6	-175.7	-79.8	172.8	0	0	0	113.8	E100 K101 A106 I107 V113 M115 M127 L129 F194	E100-L104 HydrophobicContact CG-CD1 3.76Å; E100-L104 HydrophobicContact CG-CG 4.47Å; E100-L104 WeakPolarHBondContact O-CB 3.49Å; E100-L104 WeakPolarHBondContact O-CG 3.39Å; E100-L104 PolarHBondContact O-N 3.16Å; K101-L104 PolarHBondContact O-N 3.38Å; L104-A106 VanDerWaalsContact C-N 3.28Å; L104-A106 PolarHBondContact O-N 3.09Å; L104-I107 HydrophobicContact CD2-CD1 4.19Å; L104-V113 HydrophobicContact CD2-CG1 4.06Å; L104-M115 HydrophobicContact CB-CB 4.02Å; L104-M115 HydrophobicContact CB-CE 4.2Å; L104-M115 HydrophobicContact CB-SD 4.24Å; L104-M127 HydrophobicContact CD1-SD 4.06Å; L104-L129 HydrophobicContact CD1-CD2 4.1Å; L104-L129 HydrophobicContact CD2-CD2 4.37Å; L104-F194 HydrophobicContact CD1-CB 4.46Å; L104-F194 HydrophobicContact CD2-CB 4.19Å; L104-F194 HydrophobicContact CD2-CD2 3.56Å; L104-F194 HydrophobicContact CD2-CE2 4.07Å; L104-F194 HydrophobicContact CD2-CG 3.91Å; L104-F194 HydrophobicContact CG-CB 4.03Å; L104-F194 HydrophobicContact CG-CD2 4.35Å; L104-F194 HydrophobicContact CG-CG 4.25Å
105	Q	96.9	Very high	96.6	Very high	25 Å²	25	25.4 Å²	25.4	12%	0.117	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-20.5	176.8	69	-172	-3.6	0	0	113.3	A43 K101 R102 I103 M115	A43-Q105 PolarHBondContact O-OE1 3.26Å; K101-Q105 WeakPolarHBondContact O-CG 3.25Å; K101-Q105 PolarHBondContact O-N 3.4Å; K101-Q105 VanDerWaalsContact O-N 3.12Å; R102-Q105 VanDerWaalsContact O-CG 3.31Å; R102-Q105 WeakPolarHBondContact O-CG 3.33Å; R102-Q105 PolarHBondContact O-NE2 3.45Å; I103-Q105 VanDerWaalsContact C-N 3.29Å; I103-Q105 PolarHBondContact O-N 3.29Å; Q105-M115 HydrophobicContact CB-CE 3.45Å; Q105-M115 VanDerWaalsContact CB-CE 3.45Å
106	A	97.4	Very high	96.8	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.2	-26	-170.3	0	0	0	0	0	112.9	F35 R38 W39 R102 I103 L104	F35-A106 HydrophobicContact CD2-CB 3.62Å; F35-A106 WeakPolarHBondContact CD2-O 3.44Å; F35-A106 HydrophobicContact CE2-CB 3.54Å; F35-A106 HydrophobicContact CZ-CB 4.43Å; R38-A106 HydrophobicContact CB-CB 3.95Å; W39-A106 HydrophobicContact CB-CB 4.33Å; W39-A106 HydrophobicContact CE3-CB 4.27Å; R102-A106 WeakPolarHBondContact O-CB 2.83Å; I103-A106 PolarHBondContact O-N 2.76Å; L104-A106 VanDerWaalsContact C-N 3.28Å; L104-A106 PolarHBondContact O-N 3.09Å
107	I	97.7	Very high	97.1	Very high	4 Å²	4	23.6 Å²	23.6	2%	0.021	12%	0.121	C	C	.	.			trans	-79.8	154.5	176.3	64.5	-179.3	0	0	0	111.8	F35 R38 I103 L104 L112 Y165 L166 L169 L171 F194	F35-I107 HydrophobicContact CD2-CG2 4.18Å; F35-I107 HydrophobicContact CE2-CG2 4.05Å; R38-I107 PolarHBondContact NH1-O 2.93Å; I103-I107 HydrophobicContact CG2-CD1 4.35Å; I103-I107 HydrophobicContact CG2-CG2 3.95Å; I103-I107 PolarHBondContact O-N 2.94Å; L104-I107 HydrophobicContact CD2-CD1 4.19Å; I107-L112 HydrophobicContact CB-CD1 4.42Å; I107-L112 HydrophobicContact CD1-CB 4.39Å; I107-L112 HydrophobicContact CD1-CD1 4Å; I107-Y165 WeakPolarHBondContact CA-OH 3.26Å; I107-Y165 HydrophobicContact CB-CE1 4.12Å; I107-Y165 HydrophobicContact CG2-CE1 4.23Å; I107-L166 HydrophobicContact CG2-CD2 4.13Å; I107-L169 HydrophobicContact CG2-CD1 4.44Å; I107-L171 HydrophobicContact CG2-CD1 3.73Å; I107-F194 HydrophobicContact CD1-CD1 4.19Å; I107-F194 HydrophobicContact CD1-CE1 3.57Å; I107-F194 HydrophobicContact CD1-CE2 4.1Å; I107-F194 HydrophobicContact CD1-CZ 3.51Å
108	D	96.2	Very high	97.2	Very high	81 Å²	81	23.5 Å²	23.5	43%	0.433	12%	0.121	S	C	.	.			trans	-159.8	108	173.2	178.3	16.3	0	0	0	108.7	R38 Y165	R38-D108 IonicContact NH2-OD2 3.79Å; D108-Y165 PolarHBondContact N-OH 3.41Å; D108-Y165 WeakPolarHBondContact O-CE2 3.49Å; D108-Y165 PolarHBondContact O-OH 3.34Å
109	F	97.1	Very high	97.3	Very high	5 Å²	5	22 Å²	22	2%	0.022	11%	0.112	C	C	.	.			trans	-155.6	144.3	-179	-165	-107.8	0	0	0	110.8	F27 F111 L112 L161 A162 Y165 Y315	F27-F109 HydrophobicContact CE1-CD2 4.01Å; F27-F109 AromaticContact CE1-CE2 3.71Å; F27-F109 HydrophobicContact CE1-CE2 3.71Å; F27-F109 HydrophobicContact CZ-CD2 4.06Å; F27-F109 HydrophobicContact CZ-CE2 4.1Å; F109-F111 HydrophobicContact CD1-CB 4.44Å; F109-F111 HydrophobicContact CD1-CD2 4.29Å; F109-F111 AromaticContact CE1-CD2 3.68Å; F109-F111 HydrophobicContact CE1-CD2 3.68Å; F109-F111 HydrophobicContact CE1-CE2 4.23Å; F109-F111 HydrophobicContact CE1-CG 4.46Å; F109-F111 PolarHBondContact O-N 3.27Å; F109-L112 HydrophobicContact CB-CB 4.35Å; F109-L112 HydrophobicContact CB-CD1 3.71Å; F109-L112 HydrophobicContact CB-CG 3.85Å; F109-L112 HydrophobicContact CD1-CG 4.29Å; F109-L112 PolarHBondContact O-N 2.63Å; F109-L161 HydrophobicContact CE1-CB 4.09Å; F109-L161 HydrophobicContact CZ-CB 4Å; F109-A162 HydrophobicContact CD1-CB 4.33Å; F109-A162 HydrophobicContact CE1-CB 4.28Å; F109-Y165 HydrophobicContact CB-CD1 3.85Å; F109-Y165 HydrophobicContact CB-CD2 4.21Å; F109-Y165 HydrophobicContact CB-CE1 3.89Å; F109-Y165 HydrophobicContact CB-CE2 4.18Å; F109-Y165 HydrophobicContact CB-CG 4.03Å; F109-Y165 HydrophobicContact CD1-CG 4.42Å; F109-Y165 HydrophobicContact CD2-CD1 4.25Å; F109-Y165 AromaticContact CD2-CD2 3.4Å; F109-Y165 HydrophobicContact CD2-CD2 3.4Å; F109-Y165 AromaticContact CD2-CE2 3.96Å; F109-Y165 HydrophobicContact CD2-CE2 3.96Å; F109-Y165 AromaticContact CD2-CG 3.55Å; F109-Y165 HydrophobicContact CD2-CG 3.55Å; F109-Y165 AromaticContact CE2-CD2 4Å; F109-Y165 HydrophobicContact CE2-CD2 4Å; F109-Y165 HydrophobicContact CE2-CG 4.1Å; F109-Y165 HydrophobicContact CG-CD1 4Å; F109-Y165 AromaticContact CG-CD2 3.99Å; F109-Y165 HydrophobicContact CG-CD2 3.99Å; F109-Y165 HydrophobicContact CG-CE2 4.43Å; F109-Y165 AromaticContact CG-CG 3.74Å; F109-Y165 HydrophobicContact CG-CG 3.74Å; F109-Y315 HydrophobicContact CD2-CE2 4.3Å; F109-Y315 AromaticContact CE2-CD2 4Å; F109-Y315 HydrophobicContact CE2-CD2 4Å; F109-Y315 AromaticContact CE2-CE2 3.61Å; F109-Y315 HydrophobicContact CE2-CE2 3.61Å; F109-Y315 AromaticContact CZ-CD2 3.92Å; F109-Y315 HydrophobicContact CZ-CD2 3.92Å; F109-Y315 HydrophobicContact CZ-CE2 4.02Å
110	P	96.5	Very high	97.5	Very high	35 Å²	35	23.2 Å²	23.2	23%	0.227	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-27.8	-170	-29.5	36.7	0	0	0	116	K190 Y315	P110-K190 WeakPolarHBondContact O-CE 3.39Å; P110-K190 PolarHBondContact O-NZ 3.17Å; P110-Y315 HydrophobicContact CG-CD2 4.05Å; P110-Y315 HydrophobicContact CG-CE2 3.57Å
111	F	98.4	Very high	97.6	Very high	1 Å²	1	24.2 Å²	24.2	0%	0.004	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.2	10.6	-177.6	-45.5	-47	0	0	0	113.7	F109 Q158 L161 Y188 L189 K190 I191 I314 K317	F109-F111 HydrophobicContact CD1-CB 4.44Å; F109-F111 HydrophobicContact CD1-CD2 4.29Å; F109-F111 AromaticContact CE1-CD2 3.68Å; F109-F111 HydrophobicContact CE1-CD2 3.68Å; F109-F111 HydrophobicContact CE1-CE2 4.23Å; F109-F111 HydrophobicContact CE1-CG 4.46Å; F109-F111 PolarHBondContact O-N 3.27Å; F111-Q158 HydrophobicContact CB-CB 4.48Å; F111-Q158 HydrophobicContact CD1-CB 4.26Å; F111-Q158 HydrophobicContact CD1-CG 4.13Å; F111-Q158 HydrophobicContact CD2-CB 3.77Å; F111-Q158 HydrophobicContact CD2-CG 4.16Å; F111-Q158 WeakPolarHBondContact CD2-O 3.33Å; F111-Q158 HydrophobicContact CE1-CG 3.97Å; F111-Q158 HydrophobicContact CE2-CB 4.06Å; F111-Q158 HydrophobicContact CE2-CG 4Å; F111-Q158 HydrophobicContact CG-CB 3.91Å; F111-Q158 HydrophobicContact CG-CG 4.24Å; F111-Q158 HydrophobicContact CZ-CB 4.43Å; F111-Q158 HydrophobicContact CZ-CG 3.91Å; F111-L161 HydrophobicContact CD2-CB 4.3Å; F111-L161 HydrophobicContact CE2-CB 4.09Å; F111-L161 HydrophobicContact CE2-CD1 3.81Å; F111-Y188 HydrophobicContact CD1-CD1 4.35Å; F111-Y188 AromaticContact CE1-CD1 3.64Å; F111-Y188 HydrophobicContact CE1-CD1 3.64Å; F111-Y188 HydrophobicContact CE1-CE1 4.16Å; F111-Y188 HydrophobicContact CZ-CD1 4.42Å; F111-L189 WeakPolarHBondContact CA-O 3.31Å; F111-K190 CarbonylContact O-C 3.49Å; F111-K190 WeakPolarHBondContact O-CA 3.3Å; F111-I191 PolarHBondContact O-N 3.23Å; F111-I314 HydrophobicContact CE2-CG2 4.18Å; F111-I314 HydrophobicContact CZ-CG2 3.91Å; F111-I314 WeakPolarHBondContact CZ-O 3.35Å; F111-K317 HydrophobicContact CE1-CG 4.23Å
112	L	98.5	Very high	97.6	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.134	C	C	.	.	B	Isolated β-bridge	trans	-108.5	146.8	172.9	-55.6	-178.2	0	0	0	108.7	I107 F109 A162 Y165 L166 K190 I191 F194	I107-L112 HydrophobicContact CB-CD1 4.42Å; I107-L112 HydrophobicContact CD1-CB 4.39Å; I107-L112 HydrophobicContact CD1-CD1 4Å; F109-L112 HydrophobicContact CB-CB 4.35Å; F109-L112 HydrophobicContact CB-CD1 3.71Å; F109-L112 HydrophobicContact CB-CG 3.85Å; F109-L112 HydrophobicContact CD1-CG 4.29Å; F109-L112 PolarHBondContact O-N 2.63Å; L112-A162 HydrophobicContact CD2-CB 3.93Å; L112-Y165 HydrophobicContact CD1-CD1 3.75Å; L112-Y165 HydrophobicContact CD1-CE1 3.75Å; L112-L166 HydrophobicContact CD1-CD2 3.79Å; L112-L166 HydrophobicContact CD1-CG 4.1Å; L112-L166 HydrophobicContact CD2-CD1 4.37Å; L112-K190 WeakPolarHBondContact O-CD 3.21Å; L112-K190 PolarHBondContact O-NZ 3.09Å; L112-I191 HydrophobicContact CD2-CB 3.75Å; L112-I191 HydrophobicContact CD2-CD1 3.76Å; L112-I191 HydrophobicContact CD2-CG1 4Å; L112-I191 HydrophobicContact CD2-CG2 4.46Å; L112-F194 HydrophobicContact CD1-CZ 4.37Å; L112-F194 HydrophobicContact CD2-CZ 4.04Å
113	V	97.8	Very high	97.6	Very high	2 Å²	2	23.5 Å²	23.5	1%	0.012	13%	0.126	C	C	.	.	P	Polyproline II helix	trans	-69.3	131	172.6	74.8	0	0	0	0	109.7	L104 L129 E130 I191	L104-V113 HydrophobicContact CD2-CG1 4.06Å; V113-L129 HydrophobicContact CG1-CD2 3.63Å; V113-L129 HydrophobicContact CG2-CB 3.98Å; V113-L129 HydrophobicContact CG2-CD2 4.04Å; V113-E130 WeakPolarHBondContact CA-OE1 3.25Å; V113-E130 HydrophobicContact CG2-CG 3.61Å; V113-I191 WeakPolarHBondContact CB-O 3.35Å; V113-I191 WeakPolarHBondContact CG1-O 3.47Å; V113-I191 PolarHBondContact N-O 3.09Å
114	N	96.8	Very high	97.7	Very high	50 Å²	50	24 Å²	24	27%	0.267	13%	0.128	S	C	.	.	P	Polyproline II helix	trans	-90.3	130	178.4	-71.7	-24.2	0	0	0	110.5	L129 E130	N114-L129 CarbonylContact O-C 3.47Å; N114-L129 WeakPolarHBondContact O-CA 3.5Å; N114-E130 HydrophobicContact CB-CG 4.44Å; N114-E130 WeakPolarHBondContact CB-OE1 3.49Å; N114-E130 PolarHBondContact N-OE1 2.96Å; N114-E130 PolarHBondContact O-N 3.34Å
115	M	97.8	Very high	97.7	Very high	26 Å²	26	23.8 Å²	23.8	13%	0.128	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	121.6	167.3	-172.1	175.9	66	0	0	109.5	K101 L104 Q105 F117 M127	K101-M115 HydrophobicContact CG-CE 4.15Å; K101-M115 HydrophobicContact CG-SD 4.49Å; L104-M115 HydrophobicContact CB-CB 4.02Å; L104-M115 HydrophobicContact CB-CE 4.2Å; L104-M115 HydrophobicContact CB-SD 4.24Å; Q105-M115 HydrophobicContact CB-CE 3.45Å; Q105-M115 VanDerWaalsContact CB-CE 3.45Å; M115-F117 WeakPolarHBondContact CG-O 3.41Å; M115-M127 HydrophobicContact SD-CB 3.79Å; M115-M127 HydrophobicContact SD-CG 3.75Å; M115-M127 HydrophobicContact SD-SD 4.3Å
116	T	97.3	Very high	97.8	Very high	64 Å²	64	22.6 Å²	22.6	39%	0.393	12%	0.121	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	-43	-179	-51.6	0	0	0	0	111.4	Y78 V128	Y78-T116 HydrophobicContact CE1-CG2 4.06Å; Y78-T116 WeakPolarHBondContact CE1-OG1 3.28Å; T116-V128 PolarHBondContact N-O 3.24Å
117	F	98.2	Very high	97.8	Very high	36 Å²	36	22.6 Å²	22.6	16%	0.158	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	153.1	180	-45.3	-83.4	0	0	0	111.9	T46 A47 F52 Y78 M115 V128	T46-F117 VanDerWaalsContact OG1-CA 3.3Å; T46-F117 WeakPolarHBondContact OG1-CA 3.4Å; A47-F117 HydrophobicContact CB-CB 3.86Å; A47-F117 HydrophobicContact CB-CD1 3.9Å; A47-F117 HydrophobicContact CB-CG 3.98Å; F52-F117 HydrophobicContact CE1-CD2 4.13Å; F52-F117 HydrophobicContact CE1-CE2 4.25Å; F52-F117 AromaticContact CZ-CD2 3.73Å; F52-F117 HydrophobicContact CZ-CD2 3.73Å; F52-F117 HydrophobicContact CZ-CE2 4.13Å; F52-F117 HydrophobicContact CZ-CG 4.2Å; Y78-F117 HydrophobicContact CE1-CE2 4.37Å; Y78-F117 HydrophobicContact CE2-CE2 4.04Å; Y78-F117 AromaticContact CZ-CE2 3.9Å; M115-F117 WeakPolarHBondContact CG-O 3.41Å; F117-V128 HydrophobicContact CB-CB 3.87Å; F117-V128 HydrophobicContact CB-CG2 4Å; F117-V128 HydrophobicContact CD2-CB 4Å; F117-V128 HydrophobicContact CD2-CG1 3.87Å; F117-V128 HydrophobicContact CG-CB 4.45Å; F117-V128 PolarHBondContact N-O 3.17Å; F117-V128 PolarHBondContact O-N 2.91Å
118	S	98.3	Very high	97.9	Very high	3 Å²	3	22.4 Å²	22.4	2%	0.021	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	139.7	168.4	64	0	0	0	0	110.5	N45 T46 K101 Y126	N45-S118 WeakPolarHBondContact CA-O 3.39Å; N45-S118 PolarHBondContact N-O 3.14Å; T46-S118 PolarHBondContact N-O 2.9Å; T46-S118 PolarHBondContact OG1-N 2.78Å; T46-S118 PolarHBondContact OG1-O 2.8Å; K101-S118 WeakPolarHBondContact CE-OG 3.48Å; S118-Y126 VanDerWaalsContact CA-O 3.25Å; S118-Y126 WeakPolarHBondContact CA-O 3.27Å
119	F	98.5	Very high	97.9	Very high	5 Å²	5	19.1 Å²	19.1	2%	0.022	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.6	174.5	-178.7	58.6	-87.5	0	0	0	110.5	A47 L49 F52 M80 Y126 V128 F359	A47-F119 HydrophobicContact CB-CD1 3.89Å; A47-F119 HydrophobicContact CB-CE1 4.11Å; A47-F119 WeakPolarHBondContact O-CB 3.34Å; A47-F119 VanDerWaalsContact O-CG 3.29Å; A47-F119 WeakPolarHBondContact O-CG 3.22Å; L49-F119 HydrophobicContact CB-CE2 3.92Å; L49-F119 HydrophobicContact CB-CZ 4.37Å; L49-F119 HydrophobicContact CD1-CE2 4.47Å; L49-F119 HydrophobicContact CD1-CZ 4.43Å; F52-F119 HydrophobicContact CD2-CE1 4.45Å; F52-F119 HydrophobicContact CD2-CZ 4.41Å; F52-F119 AromaticContact CE2-CE1 3.83Å; F52-F119 HydrophobicContact CE2-CE1 3.83Å; F52-F119 HydrophobicContact CE2-CZ 4.22Å; M80-F119 HydrophobicContact CE-CZ 4.13Å; F119-Y126 AromaticContact CD2-CD2 3.37Å; F119-Y126 HydrophobicContact CD2-CD2 3.37Å; F119-Y126 HydrophobicContact CD2-CE2 4.09Å; F119-Y126 AromaticContact CD2-CG 3.8Å; F119-Y126 HydrophobicContact CD2-CG 3.8Å; F119-Y126 HydrophobicContact CE1-CG 4.35Å; F119-Y126 AromaticContact CE2-CD1 3.94Å; F119-Y126 HydrophobicContact CE2-CD1 3.94Å; F119-Y126 AromaticContact CE2-CD2 3.19Å; F119-Y126 HydrophobicContact CE2-CD2 3.19Å; F119-Y126 HydrophobicContact CE2-CE1 4.43Å; F119-Y126 AromaticContact CE2-CE2 3.76Å; F119-Y126 HydrophobicContact CE2-CE2 3.76Å; F119-Y126 AromaticContact CE2-CG 3.29Å; F119-Y126 HydrophobicContact CE2-CG 3.29Å; F119-Y126 HydrophobicContact CG-CD2 4.3Å; F119-Y126 HydrophobicContact CG-CG 4.49Å; F119-Y126 HydrophobicContact CZ-CD1 4.05Å; F119-Y126 HydrophobicContact CZ-CD2 4.02Å; F119-Y126 AromaticContact CZ-CG 3.61Å; F119-Y126 HydrophobicContact CZ-CG 3.61Å; F119-Y126 PolarHBondContact N-O 3.02Å; F119-Y126 VanDerWaalsContact N-O 3.12Å; F119-Y126 PolarHBondContact O-N 2.97Å; F119-V128 HydrophobicContact CE1-CG2 3.81Å; F119-F359 WeakPolarHBondContact O-CE1 3.34Å
120	K	98.1	Very high	98	Very high	55 Å²	55	21 Å²	21	24%	0.239	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	153.8	178.2	66.1	-162.5	173.2	-147.4	0	110.4	N124 L125 F356 A357 F359	K120-N124 WeakPolarHBondContact CA-O 3.24Å; K120-N124 WeakPolarHBondContact CB-O 3.21Å; K120-L125 HydrophobicContact CB-CD2 3.82Å; K120-L125 HydrophobicContact CD-CD2 4.45Å; K120-F356 PolarHBondContact NZ-O 3.5Å; K120-A357 PolarHBondContact NZ-O 2.79Å; K120-F359 HydrophobicContact CB-CD1 4.37Å; K120-F359 HydrophobicContact CD-CB 4.21Å; K120-F359 PolarHBondContact NZ-O 3.02Å
121	D	97.8	Very high	98	Very high	30 Å²	30	20.6 Å²	20.6	16%	0.16	11%	0.106	C	C	.	.			trans	-123.8	-164.9	169.7	68.2	25.9	0	0	0	110.3	K85 S123 N124 Y126 I346	K85-D121 WeakPolarHBondContact CE-O 3.34Å; K85-D121 PolarHBondContact NZ-O 3.28Å; D121-S123 PolarHBondContact O-N 2.88Å; D121-S123 WeakPolarHBondContact OD1-CA 3.42Å; D121-S123 PolarHBondContact OD1-N 3.35Å; D121-N124 PolarHBondContact N-O 3.43Å; D121-N124 PolarHBondContact OD1-N 3.2Å; D121-Y126 HydrophobicContact CB-CE2 4.2Å; D121-Y126 VanDerWaalsContact OD2-CE2 3.26Å; D121-Y126 WeakPolarHBondContact OD2-CE2 3.33Å; D121-Y126 VanDerWaalsContact OD2-CZ 3.27Å; D121-Y126 PolarHBondContact OD2-OH 3.12Å; D121-I346 HydrophobicContact CB-CG2 4.33Å; D121-I346 VanDerWaalsContact OD2-CD1 3.27Å; D121-I346 WeakPolarHBondContact OD2-CD1 3.47Å; D121-I346 WeakPolarHBondContact OD2-CG1 3.41Å
122	N	98.1	Very high	98	Very high	53 Å²	53	20.9 Å²	20.9	28%	0.283	11%	0.108	S	C	.	.	S	Bend	trans	-59.3	-27.7	-179.9	-74.8	-16.3	0	0	0	114.5	I346 S347 K351	N122-I346 HydrophobicContact CB-CG2 4.11Å; N122-S347 WeakPolarHBondContact CB-O 3.47Å; N122-S347 PolarHBondContact ND2-O 3.25Å; N122-K351 VanDerWaalsContact O-CB 3.3Å; N122-K351 WeakPolarHBondContact O-CB 3.3Å; N122-K351 WeakPolarHBondContact O-CG 3.5Å; N122-K351 PolarHBondContact O-N 3.42Å
123	S	97.9	Very high	97.8	Very high	16 Å²	16	21.5 Å²	21.5	11%	0.112	11%	0.112	C	C	.	.	S	Bend	trans	-116.3	-32.4	-172.5	-76.6	0	0	0	0	114.1	K85 D121 S347	K85-S123 VanDerWaalsContact CB-O 3.31Å; K85-S123 WeakPolarHBondContact CB-O 3.15Å; K85-S123 VanDerWaalsContact CG-O 3.3Å; K85-S123 WeakPolarHBondContact CG-O 3.14Å; K85-S123 PolarHBondContact N-O 3.08Å; D121-S123 PolarHBondContact O-N 2.88Å; D121-S123 WeakPolarHBondContact OD1-CA 3.42Å; D121-S123 PolarHBondContact OD1-N 3.35Å; S123-S347 WeakPolarHBondContact OG-CB 3.09Å; S123-S347 PolarHBondContact OG-N 3.34Å
124	N	98.2	Very high	97.7	Very high	9 Å²	9	21.4 Å²	21.4	5%	0.048	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	157	-162.2	-55.6	-63.6	0	0	0	112.7	I82 L83 K85 K120 D121 Y126 L344	I82-N124 HydrophobicContact CG2-CB 4.1Å; L83-N124 CarbonylContact O-C 3.52Å; L83-N124 WeakPolarHBondContact O-CA 3.49Å; K85-N124 WeakPolarHBondContact CE-O 3.47Å; K120-N124 WeakPolarHBondContact CA-O 3.24Å; K120-N124 WeakPolarHBondContact CB-O 3.21Å; D121-N124 PolarHBondContact N-O 3.43Å; D121-N124 PolarHBondContact OD1-N 3.2Å; N124-Y126 HydrophobicContact CB-CD2 4.43Å; N124-Y126 HydrophobicContact CB-CE1 4.16Å; N124-Y126 HydrophobicContact CB-CE2 3.65Å; N124-Y126 VanDerWaalsContact CB-CZ 3.49Å; N124-Y126 WeakPolarHBondContact CB-OH 3.38Å; N124-Y126 PolarHBondContact ND2-OH 3.34Å; N124-L344 WeakPolarHBondContact ND2-CD1 3.1Å
125	L	98.3	Very high	97.6	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	139.9	166.7	-51	171.9	0	0	0	108.4	L83 K85 T97 K120 F356 F359	L83-L125 HydrophobicContact CB-CB 4.25Å; L83-L125 PolarHBondContact N-O 2.86Å; L83-L125 PolarHBondContact O-N 2.84Å; K85-L125 HydrophobicContact CD-CD2 4.25Å; K85-L125 HydrophobicContact CG-CD1 4.5Å; K85-L125 HydrophobicContact CG-CD2 3.91Å; K85-L125 HydrophobicContact CG-CG 3.83Å; T97-L125 HydrophobicContact CG2-CD1 3.67Å; K120-L125 HydrophobicContact CB-CD2 3.82Å; K120-L125 HydrophobicContact CD-CD2 4.45Å; L125-F356 HydrophobicContact CD1-CD1 3.57Å; L125-F356 HydrophobicContact CD1-CD2 4.41Å; L125-F356 HydrophobicContact CD1-CE1 3.6Å; L125-F356 HydrophobicContact CD1-CE2 4.43Å; L125-F356 HydrophobicContact CD1-CG 4Å; L125-F356 HydrophobicContact CD1-CZ 4.05Å; L125-F356 HydrophobicContact CD2-CB 3.95Å; L125-F356 HydrophobicContact CD2-CD1 4.27Å; L125-F356 HydrophobicContact CD2-CD2 4.41Å; L125-F356 HydrophobicContact CD2-CG 3.96Å; L125-F359 HydrophobicContact CB-CD1 4.39Å; L125-F359 HydrophobicContact CB-CD2 4.27Å; L125-F359 HydrophobicContact CB-CE1 3.95Å; L125-F359 HydrophobicContact CB-CE2 3.8Å; L125-F359 HydrophobicContact CB-CZ 3.63Å; L125-F359 HydrophobicContact CD1-CD2 3.83Å; L125-F359 HydrophobicContact CD1-CE2 3.9Å; L125-F359 HydrophobicContact CD1-CG 4.44Å; L125-F359 HydrophobicContact CD2-CB 4.16Å; L125-F359 HydrophobicContact CD2-CD1 3.91Å; L125-F359 HydrophobicContact CD2-CD2 3.97Å; L125-F359 HydrophobicContact CD2-CE1 4.32Å; L125-F359 HydrophobicContact CD2-CE2 4.36Å; L125-F359 HydrophobicContact CD2-CG 3.73Å; L125-F359 HydrophobicContact CG-CD2 4.24Å; L125-F359 HydrophobicContact CG-CE2 4.23Å; L125-F359 HydrophobicContact CG-CG 4.46Å; L125-F359 HydrophobicContact CG-CZ 4.45Å
126	Y	98.4	Very high	97.5	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	125.9	-176.1	-56.8	-89.2	0	0	0	110.2	L49 M80 K81 I82 S118 F119 D121 N124 L344	L49-Y126 HydrophobicContact CD1-CD1 4.16Å; L49-Y126 HydrophobicContact CD1-CE1 3.64Å; M80-Y126 HydrophobicContact CG-CD1 4.19Å; M80-Y126 HydrophobicContact SD-CD1 3.78Å; M80-Y126 HydrophobicContact SD-CE1 4.33Å; K81-Y126 WeakPolarHBondContact O-CA 3.5Å; I82-Y126 HydrophobicContact CB-CD1 4.43Å; I82-Y126 HydrophobicContact CB-CE1 4.4Å; I82-Y126 HydrophobicContact CD1-CE1 4.46Å; I82-Y126 HydrophobicContact CG1-CD1 3.97Å; I82-Y126 HydrophobicContact CG1-CE1 4.05Å; I82-Y126 HydrophobicContact CG2-CD1 4.15Å; I82-Y126 HydrophobicContact CG2-CE1 3.71Å; S118-Y126 VanDerWaalsContact CA-O 3.25Å; S118-Y126 WeakPolarHBondContact CA-O 3.27Å; F119-Y126 AromaticContact CD2-CD2 3.37Å; F119-Y126 HydrophobicContact CD2-CD2 3.37Å; F119-Y126 HydrophobicContact CD2-CE2 4.09Å; F119-Y126 AromaticContact CD2-CG 3.8Å; F119-Y126 HydrophobicContact CD2-CG 3.8Å; F119-Y126 HydrophobicContact CE1-CG 4.35Å; F119-Y126 AromaticContact CE2-CD1 3.94Å; F119-Y126 HydrophobicContact CE2-CD1 3.94Å; F119-Y126 AromaticContact CE2-CD2 3.19Å; F119-Y126 HydrophobicContact CE2-CD2 3.19Å; F119-Y126 HydrophobicContact CE2-CE1 4.43Å; F119-Y126 AromaticContact CE2-CE2 3.76Å; F119-Y126 HydrophobicContact CE2-CE2 3.76Å; F119-Y126 AromaticContact CE2-CG 3.29Å; F119-Y126 HydrophobicContact CE2-CG 3.29Å; F119-Y126 HydrophobicContact CG-CD2 4.3Å; F119-Y126 HydrophobicContact CG-CG 4.49Å; F119-Y126 HydrophobicContact CZ-CD1 4.05Å; F119-Y126 HydrophobicContact CZ-CD2 4.02Å; F119-Y126 AromaticContact CZ-CG 3.61Å; F119-Y126 HydrophobicContact CZ-CG 3.61Å; F119-Y126 PolarHBondContact N-O 3.02Å; F119-Y126 VanDerWaalsContact N-O 3.12Å; F119-Y126 PolarHBondContact O-N 2.97Å; D121-Y126 HydrophobicContact CB-CE2 4.2Å; D121-Y126 VanDerWaalsContact OD2-CE2 3.26Å; D121-Y126 WeakPolarHBondContact OD2-CE2 3.33Å; D121-Y126 VanDerWaalsContact OD2-CZ 3.27Å; D121-Y126 PolarHBondContact OD2-OH 3.12Å; N124-Y126 HydrophobicContact CB-CD2 4.43Å; N124-Y126 HydrophobicContact CB-CE1 4.16Å; N124-Y126 HydrophobicContact CB-CE2 3.65Å; N124-Y126 VanDerWaalsContact CB-CZ 3.49Å; N124-Y126 WeakPolarHBondContact CB-OH 3.38Å; N124-Y126 PolarHBondContact ND2-OH 3.34Å; Y126-L344 HydrophobicContact CE1-CD2 4.11Å
127	M	98.3	Very high	97.5	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	117.2	167.5	-65.3	179.5	-81.4	0	0	107.9	M80 K81 L83 E100 K101 L104 M115 L129 F359	M80-M127 CarbonylContact C-O 3.53Å; M80-M127 WeakPolarHBondContact CA-O 3.47Å; K81-M127 HydrophobicContact CB-CB 4.36Å; K81-M127 HydrophobicContact CD-CE 3.87Å; K81-M127 HydrophobicContact CG-CE 4.21Å; K81-M127 PolarHBondContact N-O 3.4Å; K81-M127 PolarHBondContact O-N 3.26Å; L83-M127 HydrophobicContact CD1-CE 3.57Å; E100-M127 HydrophobicContact CG-CE 4.35Å; E100-M127 HydrophobicContact CG-SD 4.24Å; K101-M127 HydrophobicContact CB-SD 3.99Å; K101-M127 HydrophobicContact CG-CG 4.5Å; K101-M127 HydrophobicContact CG-SD 4.43Å; L104-M127 HydrophobicContact CD1-SD 4.06Å; M115-M127 HydrophobicContact SD-CB 3.79Å; M115-M127 HydrophobicContact SD-CG 3.75Å; M115-M127 HydrophobicContact SD-SD 4.3Å; M127-L129 HydrophobicContact CB-CD1 4.31Å; M127-L129 WeakPolarHBondContact O-CD1 3.36Å; M127-F359 HydrophobicContact CG-CZ 3.84Å
128	V	98.5	Very high	97.3	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	103.6	-178.4	-172	0	0	0	0	108.3	F52 Y78 M80 T116 F117 F119	F52-V128 HydrophobicContact CE1-CG1 3.91Å; F52-V128 HydrophobicContact CE1-CG2 4.48Å; F52-V128 HydrophobicContact CE2-CG2 4.32Å; F52-V128 HydrophobicContact CZ-CG1 4.16Å; F52-V128 HydrophobicContact CZ-CG2 4.03Å; Y78-V128 HydrophobicContact CD1-CG1 4.03Å; Y78-V128 HydrophobicContact CD2-CG1 4.24Å; Y78-V128 HydrophobicContact CG-CG1 3.64Å; M80-V128 HydrophobicContact CE-CG2 3.94Å; M80-V128 HydrophobicContact CG-CG2 4.21Å; T116-V128 PolarHBondContact N-O 3.24Å; F117-V128 HydrophobicContact CB-CB 3.87Å; F117-V128 HydrophobicContact CB-CG2 4Å; F117-V128 HydrophobicContact CD2-CB 4Å; F117-V128 HydrophobicContact CD2-CG1 3.87Å; F117-V128 HydrophobicContact CG-CB 4.45Å; F117-V128 PolarHBondContact N-O 3.17Å; F117-V128 PolarHBondContact O-N 2.91Å; F119-V128 HydrophobicContact CE1-CG2 3.81Å
129	L	98.2	Very high	97.1	Very high	11 Å²	11	19.9 Å²	19.9	6%	0.058	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	157	-176.7	-53.6	109.7	0	0	0	110.7	Y78 A79 K81 L104 V113 N114 M127 F131	Y78-L129 WeakPolarHBondContact CA-O 3.5Å; Y78-L129 WeakPolarHBondContact CB-O 3.38Å; Y78-L129 WeakPolarHBondContact CD1-O 3.45Å; A79-L129 PolarHBondContact N-O 2.95Å; A79-L129 WeakPolarHBondContact O-CD1 3.41Å; A79-L129 PolarHBondContact O-N 3.34Å; K81-L129 HydrophobicContact CB-CD1 3.91Å; L104-L129 HydrophobicContact CD1-CD2 4.1Å; L104-L129 HydrophobicContact CD2-CD2 4.37Å; V113-L129 HydrophobicContact CG1-CD2 3.63Å; V113-L129 HydrophobicContact CG2-CB 3.98Å; V113-L129 HydrophobicContact CG2-CD2 4.04Å; N114-L129 CarbonylContact O-C 3.47Å; N114-L129 WeakPolarHBondContact O-CA 3.5Å; M127-L129 HydrophobicContact CB-CD1 4.31Å; M127-L129 WeakPolarHBondContact O-CD1 3.36Å; L129-F131 PolarHBondContact O-N 2.86Å
130	E	97.2	Very high	96.9	Very high	46 Å²	46	20 Å²	20	22%	0.215	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55	138.2	168.6	64.9	179.7	132.6	0	0	110.9	V113 N114 I132 K190	V113-E130 WeakPolarHBondContact CA-OE1 3.25Å; V113-E130 HydrophobicContact CG2-CG 3.61Å; N114-E130 HydrophobicContact CB-CG 4.44Å; N114-E130 WeakPolarHBondContact CB-OE1 3.49Å; N114-E130 PolarHBondContact N-OE1 2.96Å; N114-E130 PolarHBondContact O-N 3.34Å; E130-I132 HydrophobicContact CG-CD1 3.68Å; E130-I132 HydrophobicContact CG-CG1 4.33Å; E130-K190 WeakPolarHBondContact OE1-CE 3.28Å; E130-K190 IonicContact OE1-NZ 3.92Å; E130-K190 PolarHBondContact OE1-NZ 3.1Å; E130-K190 WeakPolarHBondContact OE2-CE 3.36Å; E130-K190 IonicContact OE2-NZ 2.69Å; E130-K190 PolarHBondContact OE2-NZ 2.94Å
131	F	97.8	Very high	96.8	Very high	26 Å²	26	17.4 Å²	17.4	11%	0.114	9%	0.091	C	C	.	.	P	Polyproline II helix	trans	-83.9	121.6	177.1	174.6	-124	0	0	0	110.7	L58 L68 L129 P330 D332 A333 F336	L58-F131 HydrophobicContact CD1-CD2 3.71Å; L58-F131 HydrophobicContact CD1-CE2 3.59Å; L58-F131 HydrophobicContact CD2-CE2 3.9Å; L58-F131 HydrophobicContact CD2-CZ 4.49Å; L58-F131 HydrophobicContact CG-CE2 4.42Å; L68-F131 HydrophobicContact CD1-CB 4.37Å; L68-F131 HydrophobicContact CD1-CD1 3.7Å; L68-F131 HydrophobicContact CD1-CD2 3.86Å; L68-F131 HydrophobicContact CD1-CE1 3.86Å; L68-F131 HydrophobicContact CD1-CE2 4.03Å; L68-F131 HydrophobicContact CD1-CG 3.7Å; L68-F131 HydrophobicContact CD1-CZ 4.02Å; L129-F131 PolarHBondContact O-N 2.86Å; F131-P330 WeakPolarHBondContact CD1-O 3.41Å; F131-P330 WeakPolarHBondContact CE1-O 3.38Å; F131-D332 WeakPolarHBondContact CZ-O 3.3Å; F131-A333 HydrophobicContact CZ-CB 4.37Å; F131-F336 HydrophobicContact CE2-CD2 4.37Å; F131-F336 AromaticContact CE2-CE2 3.62Å; F131-F336 HydrophobicContact CE2-CE2 3.62Å; F131-F336 HydrophobicContact CE2-CZ 4.03Å; F131-F336 AromaticContact CZ-CE2 3.96Å; F131-F336 HydrophobicContact CZ-CE2 3.96Å
132	I	97.4	Very high	96.7	Very high	7 Å²	7	21.3 Å²	21.3	4%	0.036	10%	0.103	C	C	.	.			trans	-105.6	98.9	179.6	-52.2	-53.1	0	0	0	109.4	E130 G134 L182 I183 D184 K190 F336	E130-I132 HydrophobicContact CG-CD1 3.68Å; E130-I132 HydrophobicContact CG-CG1 4.33Å; I132-G134 VanDerWaalsContact C-N 3.33Å; I132-G134 PolarHBondContact O-N 2.86Å; I132-L182 HydrophobicContact CB-CB 3.89Å; I132-L182 HydrophobicContact CB-CD1 3.88Å; I132-L182 HydrophobicContact CG1-CB 4.39Å; I132-L182 HydrophobicContact CG1-CD1 4.08Å; I132-L182 HydrophobicContact CG2-CB 3.56Å; I132-I183 VanDerWaalsContact CG2-C 3.48Å; I132-I183 VanDerWaalsContact CG2-O 3.26Å; I132-I183 WeakPolarHBondContact CG2-O 3.49Å; I132-D184 HydrophobicContact CG2-CB 4Å; I132-K190 HydrophobicContact CD1-CB 4.22Å; I132-K190 HydrophobicContact CD1-CD 4.23Å; I132-K190 HydrophobicContact CD1-CG 3.68Å; I132-K190 HydrophobicContact CG1-CB 3.93Å; I132-K190 HydrophobicContact CG1-CG 3.96Å; I132-K190 HydrophobicContact CG2-CB 4.39Å; I132-K190 HydrophobicContact CG2-CG 4.45Å; I132-F336 VanDerWaalsContact O-CZ 3.25Å; I132-F336 WeakPolarHBondContact O-CZ 3.27Å
133	S	95.3	Very high	96.5	Very high	13 Å²	13	27.3 Å²	27.3	9%	0.091	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-14.6	-165.9	56.1	0	0	0	0	116.1	G135 C327 N335	S133-G135 VanDerWaalsContact C-N 3.27Å; S133-G135 PolarHBondContact O-N 3.33Å; S133-C327 PolarHBondContact OG-SG 3.39Å; S133-N335 PolarHBondContact O-ND2 3.26Å
134	G	96	Very high	96.4	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-4.2	-177.1	0	0	0	0	0	114.9	I132 H140 I183 N335	I132-G134 VanDerWaalsContact C-N 3.33Å; I132-G134 PolarHBondContact O-N 2.86Å; G134-H140 PolarHBondContact O-NE2 3.05Å; G134-I183 CarbonylContact C-O 3.55Å; G134-I183 WeakPolarHBondContact CA-O 3.44Å; G134-I183 PolarHBondContact N-O 3.3Å; G134-N335 WeakPolarHBondContact O-CB 3.16Å
135	G	94.6	Very high	96.3	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.155	C	C	.	.			trans	75	-169.9	177.2	0	0	0	0	0	113.8	S133 L182 I183	S133-G135 VanDerWaalsContact C-N 3.27Å; S133-G135 PolarHBondContact O-N 3.33Å; G135-L182 CarbonylContact O-C 3.39Å; G135-L182 WeakPolarHBondContact O-CA 3.36Å; G135-I183 PolarHBondContact O-N 3.48Å
136	E	94.9	Very high	96.3	Very high	55 Å²	55	37.6 Å²	37.6	26%	0.257	18%	0.175	S	C	.	.	B	Isolated β-bridge	trans	-79.4	140.4	-173.2	-61.9	171.5	-169.2	0	0	112.7	F138 S139 H140 L182	E136-F138 HydrophobicContact CB-CB 4.34Å; E136-F138 PolarHBondContact O-N 3Å; E136-S139 PolarHBondContact O-N 3.22Å; E136-H140 PolarHBondContact O-CD2 3.47Å; E136-H140 PolarHBondContact O-N 3.5Å; E136-L182 HydrophobicContact CG-CD2 3.88Å
137	M	97.4	Very high	96.3	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-56.4	-37.2	170.3	176.5	-175.1	-69.6	0	0	110.7	S139 H140 L141 F147 Y155 P178 L181 L189 L236 M240	M137-S139 PolarHBondContact O-N 2.98Å; M137-H140 PolarHBondContact O-N 3.33Å; M137-L141 WeakPolarHBondContact O-CB 3.49Å; M137-L141 PolarHBondContact O-N 3.4Å; M137-F147 HydrophobicContact CG-CE2 3.98Å; M137-F147 HydrophobicContact CG-CZ 4.3Å; M137-F147 HydrophobicContact SD-CE2 4.23Å; M137-Y155 HydrophobicContact CE-CD1 4.24Å; M137-Y155 HydrophobicContact CE-CD2 3.53Å; M137-Y155 HydrophobicContact CE-CE2 4.05Å; M137-Y155 HydrophobicContact CE-CG 3.65Å; M137-P178 HydrophobicContact CB-CB 4.37Å; M137-P178 HydrophobicContact CG-CB 4.27Å; M137-P178 HydrophobicContact SD-CB 4.41Å; M137-L181 HydrophobicContact CB-CB 4Å; M137-L181 WeakPolarHBondContact CB-O 3.31Å; M137-L181 HydrophobicContact CE-CB 4.36Å; M137-L181 HydrophobicContact CE-CD1 3.83Å; M137-L181 PolarHBondContact N-O 3.32Å; M137-L181 HydrophobicContact SD-CD1 3.88Å; M137-L189 HydrophobicContact CE-CD1 3.75Å; M137-L189 HydrophobicContact CE-CD2 3.43Å; M137-L189 VanDerWaalsContact CE-CD2 3.43Å; M137-L189 HydrophobicContact CE-CG 4.21Å; M137-L236 HydrophobicContact SD-CD1 4.37Å; M137-M240 HydrophobicContact CE-SD 3.99Å; M137-M240 HydrophobicContact SD-CG 4.06Å; M137-M240 HydrophobicContact SD-SD 3.75Å
138	F	95	Very high	96.3	Very high	58 Å²	58	41 Å²	41	25%	0.254	20%	0.198	S	C	.	.	H	α-helix	trans	-50.6	-54.1	177.7	-178	-95.5	0	0	0	112.1	E136 H140 L141 R142 P178 E179	E136-F138 HydrophobicContact CB-CB 4.34Å; E136-F138 PolarHBondContact O-N 3Å; F138-H140 VanDerWaalsContact C-N 3.32Å; F138-H140 PolarHBondContact O-N 3.19Å; F138-L141 PolarHBondContact O-N 3.29Å; F138-R142 HydrophobicContact CD1-CG 4.21Å; F138-R142 HydrophobicContact CD2-CG 4.42Å; F138-R142 HydrophobicContact CE1-CG 3.88Å; F138-R142 HydrophobicContact CE2-CG 4.13Å; F138-R142 HydrophobicContact CG-CG 4.46Å; F138-R142 HydrophobicContact CZ-CG 3.84Å; F138-R142 WeakPolarHBondContact O-CB 3.48Å; F138-R142 WeakPolarHBondContact O-CG 3.12Å; F138-R142 PolarHBondContact O-N 3.31Å; F138-P178 HydrophobicContact CB-CB 3.85Å; F138-P178 HydrophobicContact CD2-CB 4.25Å; F138-P178 PolarHBondContact N-O 2.83Å; F138-E179 HydrophobicContact CB-CG 4Å; F138-E179 HydrophobicContact CD2-CG 3.83Å; F138-E179 HydrophobicContact CE2-CG 4.45Å; F138-E179 HydrophobicContact CG-CG 3.9Å
139	S	93.2	Very high	96.3	Very high	34 Å²	34	42.5 Å²	42.5	24%	0.238	21%	0.206	C	C	.	.	H	α-helix	trans	-61.3	-38.9	-178.6	-65.2	0	0	0	0	112.5	E136 M137 R143	E136-S139 PolarHBondContact O-N 3.22Å; M137-S139 PolarHBondContact O-N 2.98Å; S139-R143 VanDerWaalsContact O-CB 3.27Å; S139-R143 WeakPolarHBondContact O-CB 3.48Å; S139-R143 PolarHBondContact O-N 3.19Å; S139-R143 VanDerWaalsContact O-N 3.16Å
140	H	94.3	Very high	96.3	Very high	7 Å²	7	45.7 Å²	45.7	3%	0.032	23%	0.227	C	C	.	.	H	α-helix	trans	-70.8	-43.7	176.3	-65.5	-62.6	0	0	0	112.4	G134 E136 M137 F138 R143 I144 F323	G134-H140 PolarHBondContact O-NE2 3.05Å; E136-H140 PolarHBondContact O-CD2 3.47Å; E136-H140 PolarHBondContact O-N 3.5Å; M137-H140 PolarHBondContact O-N 3.33Å; F138-H140 VanDerWaalsContact C-N 3.32Å; F138-H140 PolarHBondContact O-N 3.19Å; H140-R143 PolarHBondContact O-N 2.68Å; H140-I144 WeakPolarHBondContact O-CB 3.45Å; H140-I144 WeakPolarHBondContact O-CG1 3.47Å; H140-I144 PolarHBondContact O-N 2.9Å; H140-F323 AromaticContact CD2-CE1 3.98Å; H140-F323 AromaticContact CE1-CE1 3.68Å; H140-F323 AromaticContact CE1-CZ 3.49Å; H140-F323 VanDerWaalsContact CE1-CZ 3.49Å; H140-F323 WeakPolarHBondContact CE1-CZ 3.14Å; H140-F323 AromaticContact CG-CE1 3.85Å; H140-F323 AromaticContact ND1-CE1 3.68Å; H140-F323 AromaticContact ND1-CZ 3.37Å; H140-F323 WeakPolarHBondContact ND1-CZ 3.31Å; H140-F323 AromaticContact NE2-CE1 3.86Å
141	L	96.4	Very high	96.3	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.005	22%	0.221	C	C	.	.	H	α-helix	trans	-62.2	-46.6	178.9	179.6	60.4	0	0	0	111	M137 F138 R143 I144 G145 F147 P178 E239	M137-L141 WeakPolarHBondContact O-CB 3.49Å; M137-L141 PolarHBondContact O-N 3.4Å; F138-L141 PolarHBondContact O-N 3.29Å; L141-R143 VanDerWaalsContact C-N 3.34Å; L141-R143 PolarHBondContact O-N 3.3Å; L141-I144 PolarHBondContact O-N 3.02Å; L141-G145 CarbonylContact O-C 3.47Å; L141-G145 WeakPolarHBondContact O-CA 3.28Å; L141-G145 PolarHBondContact O-N 2.86Å; L141-F147 HydrophobicContact CB-CE1 4.33Å; L141-F147 HydrophobicContact CB-CE2 4.24Å; L141-F147 HydrophobicContact CB-CZ 3.84Å; L141-F147 HydrophobicContact CD1-CD1 4.08Å; L141-F147 HydrophobicContact CD1-CD2 4.02Å; L141-F147 HydrophobicContact CD1-CE1 4.08Å; L141-F147 HydrophobicContact CD1-CE2 4.02Å; L141-F147 HydrophobicContact CD1-CG 4.03Å; L141-F147 HydrophobicContact CD1-CZ 4.04Å; L141-P178 HydrophobicContact CD2-CG 4.38Å; L141-E239 HydrophobicContact CD2-CG 4.01Å
142	R	96	Very high	96.4	Very high	112 Å²	112	43.2 Å²	43.2	42%	0.423	22%	0.216	S	C	.	.	H	α-helix	trans	-63.5	-39.3	178	-68.7	-66.1	175.7	-144.9	-8.7	112.3	F138 E239 G243	F138-R142 HydrophobicContact CD1-CG 4.21Å; F138-R142 HydrophobicContact CD2-CG 4.42Å; F138-R142 HydrophobicContact CE1-CG 3.88Å; F138-R142 HydrophobicContact CE2-CG 4.13Å; F138-R142 HydrophobicContact CG-CG 4.46Å; F138-R142 HydrophobicContact CZ-CG 3.84Å; F138-R142 WeakPolarHBondContact O-CB 3.48Å; F138-R142 WeakPolarHBondContact O-CG 3.12Å; F138-R142 PolarHBondContact O-N 3.31Å; R142-E239 IonicContact CZ-OE1 3.65Å; R142-E239 IonicContact NH2-OE1 2.73Å; R142-E239 PolarHBondContact NH2-OE1 2.88Å; R142-G243 PolarHBondContact NH1-O 3.43Å
143	R	94.1	Very high	96.4	Very high	178 Å²	178	44.9 Å²	44.9	67%	0.672	22%	0.222	S	C	*	.	H	α-helix	trans	-67.5	-41	178.5	-171	-175.9	-54.5	172.4	3.4	112.9	S139 H140 L141	S139-R143 VanDerWaalsContact O-CB 3.27Å; S139-R143 WeakPolarHBondContact O-CB 3.48Å; S139-R143 PolarHBondContact O-N 3.19Å; S139-R143 VanDerWaalsContact O-N 3.16Å; H140-R143 PolarHBondContact O-N 2.68Å; L141-R143 VanDerWaalsContact C-N 3.34Å; L141-R143 PolarHBondContact O-N 3.3Å
144	I	94.4	Very high	96.6	Very high	90 Å²	90	44.9 Å²	44.9	46%	0.462	22%	0.22	S	C	.	.	H	α-helix	trans	-82.8	-20.7	-179.1	-65.3	166.6	0	0	0	111.1	H140 L141 R146 F147	H140-I144 WeakPolarHBondContact O-CB 3.45Å; H140-I144 WeakPolarHBondContact O-CG1 3.47Å; H140-I144 PolarHBondContact O-N 2.9Å; L141-I144 PolarHBondContact O-N 3.02Å; I144-R146 VanDerWaalsContact C-N 3.31Å; I144-R146 WeakPolarHBondContact CG2-O 3.31Å; I144-R146 PolarHBondContact O-N 3.24Å; I144-F147 HydrophobicContact CD1-CE1 4.04Å
145	G	97	Very high	96.7	Very high	39 Å²	39	44.9 Å²	44.9	40%	0.402	22%	0.22	S	C	.	.	S	Bend	trans	90.2	-55.7	-176.5	0	0	0	0	0	111.6	L141 G243	L141-G145 CarbonylContact O-C 3.47Å; L141-G145 WeakPolarHBondContact O-CA 3.28Å; L141-G145 PolarHBondContact O-N 2.86Å; G145-G243 WeakPolarHBondContact O-CA 3.28Å
146	R	97.5	Very high	96.9	Very high	112 Å²	112	44.9 Å²	44.9	42%	0.423	22%	0.22	S	C	.	.			trans	-157	153.6	174.2	67.7	-170.2	178.6	109.7	-9.2	112	I144 H269	I144-R146 VanDerWaalsContact C-N 3.31Å; I144-R146 WeakPolarHBondContact CG2-O 3.31Å; I144-R146 PolarHBondContact O-N 3.24Å; R146-H269 PolarHBondContact NH1-CD2 3.27Å; R146-H269 PolarHBondContact NH1-CE1 2.73Å; R146-H269 PolarHBondContact NH1-NE2 3.08Å
147	F	98.2	Very high	97.1	Very high	4 Å²	4	42.3 Å²	42.3	2%	0.018	21%	0.208	C	C	.	.			trans	-85.4	153.2	171.6	-60.2	-26.9	0	0	0	111.5	M137 L141 I144 H151 Y155 M240	M137-F147 HydrophobicContact CG-CE2 3.98Å; M137-F147 HydrophobicContact CG-CZ 4.3Å; M137-F147 HydrophobicContact SD-CE2 4.23Å; L141-F147 HydrophobicContact CB-CE1 4.33Å; L141-F147 HydrophobicContact CB-CE2 4.24Å; L141-F147 HydrophobicContact CB-CZ 3.84Å; L141-F147 HydrophobicContact CD1-CD1 4.08Å; L141-F147 HydrophobicContact CD1-CD2 4.02Å; L141-F147 HydrophobicContact CD1-CE1 4.08Å; L141-F147 HydrophobicContact CD1-CE2 4.02Å; L141-F147 HydrophobicContact CD1-CG 4.03Å; L141-F147 HydrophobicContact CD1-CZ 4.04Å; I144-F147 HydrophobicContact CD1-CE1 4.04Å; F147-H151 HydrophobicContact CB-CB 4.04Å; F147-H151 AromaticContact CD1-CE1 3.6Å; F147-H151 AromaticContact CD1-ND1 3.68Å; F147-H151 AromaticContact CE1-CE1 3.86Å; F147-H151 AromaticContact CG-CE1 3.95Å; F147-H151 AromaticContact CG-CG 3.97Å; F147-H151 AromaticContact CG-ND1 3.82Å; F147-Y155 HydrophobicContact CD2-CD2 4.03Å; F147-Y155 HydrophobicContact CD2-CE2 4.04Å; F147-Y155 AromaticContact CE2-CD2 3.9Å; F147-Y155 HydrophobicContact CE2-CD2 3.9Å; F147-Y155 AromaticContact CE2-CE2 3.66Å; F147-Y155 HydrophobicContact CE2-CE2 3.66Å; F147-Y155 HydrophobicContact CZ-CE2 4.22Å; F147-M240 HydrophobicContact CD2-CB 3.96Å; F147-M240 HydrophobicContact CD2-CG 3.98Å; F147-M240 HydrophobicContact CD2-SD 4.2Å; F147-M240 HydrophobicContact CE2-CG 4.31Å; F147-M240 HydrophobicContact CE2-SD 4.47Å; F147-M240 PolarHBondContact N-O 3.44Å
148	S	98.3	Very high	97.2	Very high	67 Å²	67	42.3 Å²	42.3	47%	0.469	21%	0.208	S	C	.	.			trans	-70.1	157.9	169	69.6	0	0	0	0	110.2	H151 S152	S148-H151 WeakPolarHBondContact O-CB 3.39Å; S148-H151 PolarHBondContact O-N 2.88Å; S148-H151 WeakPolarHBondContact OG-CB 3.22Å; S148-H151 PolarHBondContact OG-N 3.38Å; S148-S152 PolarHBondContact O-N 3.26Å; S148-S152 PolarHBondContact O-OG 3.31Å
149	E	98.6	Very high	97.4	Very high	32 Å²	32	39.5 Å²	39.5	15%	0.15	20%	0.196	C	C	.	.	H	α-helix	trans	-58.1	-41.4	178.4	-67.9	-165.5	-153.3	0	0	114.1	H151 S152 R153 S271 L274 W305	E149-H151 VanDerWaalsContact C-N 3.3Å; E149-H151 PolarHBondContact O-N 2.93Å; E149-S152 PolarHBondContact O-N 3.3Å; E149-R153 VanDerWaalsContact O-CB 3.24Å; E149-R153 WeakPolarHBondContact O-CB 3.22Å; E149-R153 PolarHBondContact O-N 3.02Å; E149-S271 WeakPolarHBondContact OE1-CB 3.3Å; E149-S271 PolarHBondContact OE1-N 3.44Å; E149-S271 PolarHBondContact OE1-OG 3.28Å; E149-S271 WeakPolarHBondContact OE2-CB 3.31Å; E149-S271 PolarHBondContact OE2-OG 3.04Å; E149-L274 HydrophobicContact CG-CD2 3.86Å; E149-W305 HydrophobicContact CB-CZ2 4.39Å; E149-W305 PolarHBondContact OE2-NE1 2.91Å
150	P	98.5	Very high	97.6	Very high	79 Å²	79	37.9 Å²	37.9	51%	0.513	19%	0.185	S	C	.	.	H	α-helix	trans	-59.3	-39.1	172.6	-25.6	35.8	0	0	0	113.5	R153 F154	P150-R153 PolarHBondContact O-N 3.08Å; P150-F154 PolarHBondContact O-N 2.84Å
151	H	98.1	Very high	97.8	Very high	19 Å²	19	37.7 Å²	37.7	9%	0.088	18%	0.184	C	C	.	.	H	α-helix	trans	-67.3	-48.4	177.2	-172.7	169	0	0	0	111.2	F147 S148 E149 R153 F154 Y155 P322	F147-H151 HydrophobicContact CB-CB 4.04Å; F147-H151 AromaticContact CD1-CE1 3.6Å; F147-H151 AromaticContact CD1-ND1 3.68Å; F147-H151 AromaticContact CE1-CE1 3.86Å; F147-H151 AromaticContact CG-CE1 3.95Å; F147-H151 AromaticContact CG-CG 3.97Å; F147-H151 AromaticContact CG-ND1 3.82Å; S148-H151 WeakPolarHBondContact O-CB 3.39Å; S148-H151 PolarHBondContact O-N 2.88Å; S148-H151 WeakPolarHBondContact OG-CB 3.22Å; S148-H151 PolarHBondContact OG-N 3.38Å; E149-H151 VanDerWaalsContact C-N 3.3Å; E149-H151 PolarHBondContact O-N 2.93Å; H151-R153 VanDerWaalsContact C-N 3.27Å; H151-R153 PolarHBondContact O-N 3.13Å; H151-F154 WeakPolarHBondContact O-CB 3.34Å; H151-F154 PolarHBondContact O-N 2.89Å; H151-Y155 AromaticContact CD2-CD2 3.7Å; H151-Y155 AromaticContact CD2-CE2 3.21Å; H151-Y155 WeakPolarHBondContact CD2-CE2 3.43Å; H151-Y155 AromaticContact CD2-CZ 3.74Å; H151-Y155 AromaticContact NE2-CD2 3.95Å; H151-Y155 AromaticContact NE2-CE2 3Å; H151-Y155 WeakPolarHBondContact NE2-CE2 3.48Å; H151-Y155 AromaticContact NE2-CZ 3.34Å; H151-Y155 VanDerWaalsContact NE2-CZ 3.34Å; H151-Y155 PolarHBondContact NE2-OH 2.74Å; H151-Y155 VanDerWaalsContact NE2-OH 3.13Å; H151-Y155 PolarHBondContact O-N 3.05Å; H151-P322 HydrophobicContact CB-CB 4.06Å; H151-P322 HydrophobicContact CB-CG 4.18Å; H151-P322 WeakPolarHBondContact CD2-CG 3.42Å
152	S	98.6	Very high	97.9	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-58.2	-39.3	173.8	-58.4	0	0	0	0	112	S148 E149 Y155 A156 M240	S148-S152 PolarHBondContact O-N 3.26Å; S148-S152 PolarHBondContact O-OG 3.31Å; E149-S152 PolarHBondContact O-N 3.3Å; S152-Y155 PolarHBondContact O-N 3.07Å; S152-A156 WeakPolarHBondContact O-CB 3.49Å; S152-A156 PolarHBondContact O-N 2.79Å; S152-M240 WeakPolarHBondContact O-CE 3.46Å; S152-M240 WeakPolarHBondContact OG-CB 3.23Å
153	R	98.8	Very high	98	Very high	42 Å²	42	32.3 Å²	32.3	16%	0.158	16%	0.163	C	C	.	.	H	α-helix	trans	-64.8	-42	178.2	-173.4	-171.7	-58.3	120.9	6.7	112.2	E149 P150 H151 Y155 A156 A157 W305 F306 T309	E149-R153 VanDerWaalsContact O-CB 3.24Å; E149-R153 WeakPolarHBondContact O-CB 3.22Å; E149-R153 PolarHBondContact O-N 3.02Å; P150-R153 PolarHBondContact O-N 3.08Å; H151-R153 VanDerWaalsContact C-N 3.27Å; H151-R153 PolarHBondContact O-N 3.13Å; R153-Y155 VanDerWaalsContact C-N 3.31Å; R153-Y155 PolarHBondContact O-N 2.93Å; R153-A156 PolarHBondContact O-N 3.34Å; R153-A157 WeakPolarHBondContact O-CB 3.36Å; R153-A157 PolarHBondContact O-N 3.38Å; R153-W305 HydrophobicContact CB-CE3 4.43Å; R153-W305 HydrophobicContact CB-CH2 3.57Å; R153-W305 HydrophobicContact CB-CZ2 3.91Å; R153-W305 HydrophobicContact CB-CZ3 3.84Å; R153-W305 WeakPolarHBondContact CD-O 3.32Å; R153-W305 HydrophobicContact CG-CE3 4.14Å; R153-W305 HydrophobicContact CG-CH2 4.15Å; R153-W305 HydrophobicContact CG-CZ3 3.88Å; R153-W305 PolarHBondContact NE-O 2.91Å; R153-F306 HydrophobicContact CG-CD1 3.7Å; R153-F306 HydrophobicContact CG-CE1 3.88Å; R153-T309 WeakPolarHBondContact CD-OG1 3.18Å
154	F	98.8	Very high	98.2	Very high	14 Å²	14	25.3 Å²	25.3	6%	0.061	14%	0.138	C	C	.	.	H	α-helix	trans	-56.9	-45.8	176.7	172.2	-99	0	0	0	111.6	P150 H151 Q158 Y188 I314 I319 A321 P322	P150-F154 PolarHBondContact O-N 2.84Å; H151-F154 WeakPolarHBondContact O-CB 3.34Å; H151-F154 PolarHBondContact O-N 2.89Å; F154-Q158 VanDerWaalsContact CD1-NE2 3.27Å; F154-Q158 PolarHBondContact O-NE2 2.81Å; F154-Y188 HydrophobicContact CE2-CD1 4.49Å; F154-Y188 AromaticContact CE2-CE1 3.83Å; F154-Y188 HydrophobicContact CE2-CE1 3.83Å; F154-Y188 HydrophobicContact CE2-CE2 4.29Å; F154-Y188 AromaticContact CE2-CZ 3.71Å; F154-Y188 AromaticContact CZ-CD1 3.86Å; F154-Y188 HydrophobicContact CZ-CD1 3.86Å; F154-Y188 HydrophobicContact CZ-CD2 4.05Å; F154-Y188 AromaticContact CZ-CE1 3.63Å; F154-Y188 HydrophobicContact CZ-CE1 3.63Å; F154-Y188 AromaticContact CZ-CE2 3.83Å; F154-Y188 HydrophobicContact CZ-CE2 3.83Å; F154-Y188 HydrophobicContact CZ-CG 4.07Å; F154-Y188 AromaticContact CZ-CZ 3.6Å; F154-I314 HydrophobicContact CD2-CD1 3.63Å; F154-I314 HydrophobicContact CE2-CD1 3.84Å; F154-I319 HydrophobicContact CD2-CB 4.49Å; F154-I319 HydrophobicContact CD2-CG2 3.93Å; F154-I319 HydrophobicContact CE2-CB 4.12Å; F154-I319 HydrophobicContact CE2-CG2 3.95Å; F154-A321 HydrophobicContact CE1-CB 4.09Å; F154-A321 HydrophobicContact CZ-CB 3.87Å; F154-P322 HydrophobicContact CB-CG 4.26Å; F154-P322 HydrophobicContact CD1-CG 3.79Å; F154-P322 HydrophobicContact CE1-CG 4.39Å; F154-P322 HydrophobicContact CG-CG 4.14Å
155	Y	98.8	Very high	98.3	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-71.1	-44.2	176.2	-70.5	-32.6	0	0	0	113	M137 F147 H151 S152 R153 A157 Q158 I159 G187 L189 M240	M137-Y155 HydrophobicContact CE-CD1 4.24Å; M137-Y155 HydrophobicContact CE-CD2 3.53Å; M137-Y155 HydrophobicContact CE-CE2 4.05Å; M137-Y155 HydrophobicContact CE-CG 3.65Å; F147-Y155 HydrophobicContact CD2-CD2 4.03Å; F147-Y155 HydrophobicContact CD2-CE2 4.04Å; F147-Y155 AromaticContact CE2-CD2 3.9Å; F147-Y155 HydrophobicContact CE2-CD2 3.9Å; F147-Y155 AromaticContact CE2-CE2 3.66Å; F147-Y155 HydrophobicContact CE2-CE2 3.66Å; F147-Y155 HydrophobicContact CZ-CE2 4.22Å; H151-Y155 AromaticContact CD2-CD2 3.7Å; H151-Y155 AromaticContact CD2-CE2 3.21Å; H151-Y155 WeakPolarHBondContact CD2-CE2 3.43Å; H151-Y155 AromaticContact CD2-CZ 3.74Å; H151-Y155 AromaticContact NE2-CD2 3.95Å; H151-Y155 AromaticContact NE2-CE2 3Å; H151-Y155 WeakPolarHBondContact NE2-CE2 3.48Å; H151-Y155 AromaticContact NE2-CZ 3.34Å; H151-Y155 VanDerWaalsContact NE2-CZ 3.34Å; H151-Y155 PolarHBondContact NE2-OH 2.74Å; H151-Y155 VanDerWaalsContact NE2-OH 3.13Å; H151-Y155 PolarHBondContact O-N 3.05Å; S152-Y155 PolarHBondContact O-N 3.07Å; R153-Y155 VanDerWaalsContact C-N 3.31Å; R153-Y155 PolarHBondContact O-N 2.93Å; Y155-A157 VanDerWaalsContact C-N 3.25Å; Y155-A157 PolarHBondContact O-N 3Å; Y155-Q158 WeakPolarHBondContact O-CB 3.43Å; Y155-Q158 PolarHBondContact O-N 3.44Å; Y155-Q158 VanDerWaalsContact O-N 3.08Å; Y155-I159 PolarHBondContact O-N 3.32Å; Y155-G187 WeakPolarHBondContact CE1-O 3.49Å; Y155-L189 HydrophobicContact CD1-CD1 3.73Å; Y155-L189 HydrophobicContact CD1-CD2 3.74Å; Y155-L189 HydrophobicContact CD1-CG 3.54Å; Y155-L189 HydrophobicContact CE1-CD2 3.91Å; Y155-L189 HydrophobicContact CE1-CG 4.08Å; Y155-L189 HydrophobicContact CG-CD1 3.97Å; Y155-L189 HydrophobicContact CG-CD2 4.33Å; Y155-L189 HydrophobicContact CG-CG 4.25Å; Y155-M240 HydrophobicContact CD2-SD 4.01Å; Y155-M240 HydrophobicContact CG-SD 4.42Å
156	A	98.9	Very high	98.4	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-58.3	-38.2	177.5	0	0	0	0	0	112.3	S152 R153 Q158 I159 V160 I237 M240 W305 F306	S152-A156 WeakPolarHBondContact O-CB 3.49Å; S152-A156 PolarHBondContact O-N 2.79Å; R153-A156 PolarHBondContact O-N 3.34Å; A156-Q158 VanDerWaalsContact C-N 3.28Å; A156-Q158 PolarHBondContact O-N 3.38Å; A156-I159 PolarHBondContact O-N 3.02Å; A156-V160 VanDerWaalsContact O-CG2 3.31Å; A156-V160 WeakPolarHBondContact O-CG2 3.42Å; A156-V160 PolarHBondContact O-N 2.91Å; A156-I237 HydrophobicContact CB-CD1 3.81Å; A156-I237 HydrophobicContact CB-CG1 3.68Å; A156-M240 HydrophobicContact CB-CE 4.35Å; A156-W305 HydrophobicContact CB-CH2 4.35Å; A156-W305 HydrophobicContact CB-CZ3 4.06Å; A156-F306 HydrophobicContact CB-CE1 4.05Å; A156-F306 HydrophobicContact CB-CZ 3.83Å
157	A	98.8	Very high	98.4	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-60.6	-38.1	177.3	0	0	0	0	0	112.2	R153 Y155 V160 L161 F306 T309 W311 I314	R153-A157 WeakPolarHBondContact O-CB 3.36Å; R153-A157 PolarHBondContact O-N 3.38Å; Y155-A157 VanDerWaalsContact C-N 3.25Å; Y155-A157 PolarHBondContact O-N 3Å; A157-V160 PolarHBondContact O-N 2.97Å; A157-L161 WeakPolarHBondContact O-CG 3.1Å; A157-L161 PolarHBondContact O-N 2.66Å; A157-L161 VanDerWaalsContact O-N 3.11Å; A157-F306 HydrophobicContact CB-CE1 4.16Å; A157-T309 HydrophobicContact CB-CG2 3.78Å; A157-W311 HydrophobicContact CB-CE3 4.39Å; A157-W311 HydrophobicContact CB-CH2 4.21Å; A157-W311 HydrophobicContact CB-CZ3 3.79Å; A157-I314 HydrophobicContact CB-CG1 4.27Å; A157-I314 HydrophobicContact CB-CG2 4.3Å
158	Q	98.8	Very high	98.3	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-68.3	-41.6	177.5	-64.7	165.7	66.5	0	0	111.4	F111 F154 Y155 A156 L161 A162 Y188 L189 I314	F111-Q158 HydrophobicContact CB-CB 4.48Å; F111-Q158 HydrophobicContact CD1-CB 4.26Å; F111-Q158 HydrophobicContact CD1-CG 4.13Å; F111-Q158 HydrophobicContact CD2-CB 3.77Å; F111-Q158 HydrophobicContact CD2-CG 4.16Å; F111-Q158 WeakPolarHBondContact CD2-O 3.33Å; F111-Q158 HydrophobicContact CE1-CG 3.97Å; F111-Q158 HydrophobicContact CE2-CB 4.06Å; F111-Q158 HydrophobicContact CE2-CG 4Å; F111-Q158 HydrophobicContact CG-CB 3.91Å; F111-Q158 HydrophobicContact CG-CG 4.24Å; F111-Q158 HydrophobicContact CZ-CB 4.43Å; F111-Q158 HydrophobicContact CZ-CG 3.91Å; F154-Q158 VanDerWaalsContact CD1-NE2 3.27Å; F154-Q158 PolarHBondContact O-NE2 2.81Å; Y155-Q158 WeakPolarHBondContact O-CB 3.43Å; Y155-Q158 PolarHBondContact O-N 3.44Å; Y155-Q158 VanDerWaalsContact O-N 3.08Å; A156-Q158 VanDerWaalsContact C-N 3.28Å; A156-Q158 PolarHBondContact O-N 3.38Å; Q158-L161 PolarHBondContact O-N 3.37Å; Q158-A162 WeakPolarHBondContact O-CB 3.44Å; Q158-A162 PolarHBondContact O-N 2.77Å; Q158-Y188 HydrophobicContact CG-CD1 4.29Å; Q158-Y188 VanDerWaalsContact OE1-CD1 3.3Å; Q158-L189 HydrophobicContact CB-CD1 4.42Å; Q158-I314 HydrophobicContact CG-CG2 3.73Å
159	I	98.9	Very high	98.2	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-64.7	-41.1	175.5	-55.8	-55.2	0	0	0	111.3	Y155 A156 L161 A162 F163 L176 L181 L189 I191 L233 L236	Y155-I159 PolarHBondContact O-N 3.32Å; A156-I159 PolarHBondContact O-N 3.02Å; I159-L161 VanDerWaalsContact C-N 3.32Å; I159-L161 PolarHBondContact O-N 3.11Å; I159-A162 PolarHBondContact O-N 2.9Å; I159-F163 HydrophobicContact CG2-CD1 4.45Å; I159-F163 HydrophobicContact CG2-CD2 3.92Å; I159-F163 HydrophobicContact CG2-CE1 4.26Å; I159-F163 HydrophobicContact CG2-CE2 3.68Å; I159-F163 HydrophobicContact CG2-CG 4.31Å; I159-F163 HydrophobicContact CG2-CZ 3.9Å; I159-F163 WeakPolarHBondContact O-CB 3.46Å; I159-F163 PolarHBondContact O-N 3.46Å; I159-L176 HydrophobicContact CD1-CD1 4.13Å; I159-L176 HydrophobicContact CG2-CD1 4.03Å; I159-L176 HydrophobicContact CG2-CD2 3.9Å; I159-L181 HydrophobicContact CD1-CD1 4.14Å; I159-L181 HydrophobicContact CD1-CD2 3.62Å; I159-L189 HydrophobicContact CD1-CD1 3.95Å; I159-L189 HydrophobicContact CG1-CD1 4.28Å; I159-I191 HydrophobicContact CD1-CD1 3.77Å; I159-I191 HydrophobicContact CD1-CG1 3.93Å; I159-L233 HydrophobicContact CB-CD1 4Å; I159-L233 HydrophobicContact CG2-CD1 3.83Å; I159-L236 HydrophobicContact CG1-CD2 3.96Å
160	V	98.8	Very high	98.2	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-58.4	-45.2	175.9	168.3	0	0	0	0	111.2	A156 A157 E164 W230 L233 V297 I300 K301 F306 W311	A156-V160 VanDerWaalsContact O-CG2 3.31Å; A156-V160 WeakPolarHBondContact O-CG2 3.42Å; A156-V160 PolarHBondContact O-N 2.91Å; A157-V160 PolarHBondContact O-N 2.97Å; V160-E164 WeakPolarHBondContact O-CB 3.45Å; V160-E164 PolarHBondContact O-N 2.81Å; V160-W230 HydrophobicContact CG2-CZ3 4.33Å; V160-L233 HydrophobicContact CG2-CD2 3.56Å; V160-V297 HydrophobicContact CG1-CG2 3.7Å; V160-I300 HydrophobicContact CG1-CG2 4.45Å; V160-I300 HydrophobicContact CG2-CG2 3.79Å; V160-K301 HydrophobicContact CG1-CG 3.9Å; V160-F306 HydrophobicContact CG2-CZ 4.18Å; V160-W311 HydrophobicContact CB-CH2 4.1Å; V160-W311 HydrophobicContact CB-CZ3 3.82Å; V160-W311 HydrophobicContact CG1-CH2 3.83Å; V160-W311 HydrophobicContact CG1-CZ3 3.65Å; V160-W311 HydrophobicContact CG2-CH2 4.39Å
161	L	97.8	Very high	98.2	Very high	3 Å²	3	9.6 Å²	9.6	2%	0.016	5%	0.047	C	C	.	.	H	α-helix	trans	-66.6	-41	177.1	-70.5	171.3	0	0	0	112.1	F109 F111 A157 Q158 I159 E164 Y165 W311 I314	F109-L161 HydrophobicContact CE1-CB 4.09Å; F109-L161 HydrophobicContact CZ-CB 4Å; F111-L161 HydrophobicContact CD2-CB 4.3Å; F111-L161 HydrophobicContact CE2-CB 4.09Å; F111-L161 HydrophobicContact CE2-CD1 3.81Å; A157-L161 WeakPolarHBondContact O-CG 3.1Å; A157-L161 PolarHBondContact O-N 2.66Å; A157-L161 VanDerWaalsContact O-N 3.11Å; Q158-L161 PolarHBondContact O-N 3.37Å; I159-L161 VanDerWaalsContact C-N 3.32Å; I159-L161 PolarHBondContact O-N 3.11Å; L161-E164 PolarHBondContact O-N 3.45Å; L161-Y165 WeakPolarHBondContact O-CB 3.38Å; L161-Y165 PolarHBondContact O-N 3.32Å; L161-W311 HydrophobicContact CD1-CE3 4.2Å; L161-W311 HydrophobicContact CD2-CE3 3.99Å; L161-W311 HydrophobicContact CG-CE3 3.9Å; L161-W311 HydrophobicContact CG-CZ3 4.31Å; L161-I314 HydrophobicContact CD1-CB 4.24Å; L161-I314 HydrophobicContact CD1-CG2 3.74Å
162	A	98.4	Very high	98.2	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-64.3	-42.3	177.1	0	0	0	0	0	112.3	F109 L112 Q158 I159 Y165 L166 I191	F109-A162 HydrophobicContact CD1-CB 4.33Å; F109-A162 HydrophobicContact CE1-CB 4.28Å; L112-A162 HydrophobicContact CD2-CB 3.93Å; Q158-A162 WeakPolarHBondContact O-CB 3.44Å; Q158-A162 PolarHBondContact O-N 2.77Å; I159-A162 PolarHBondContact O-N 2.9Å; A162-Y165 WeakPolarHBondContact O-CB 3.25Å; A162-Y165 PolarHBondContact O-N 2.83Å; A162-L166 WeakPolarHBondContact O-CB 3.45Å; A162-L166 VanDerWaalsContact O-CG 3.32Å; A162-L166 WeakPolarHBondContact O-CG 3.28Å; A162-L166 PolarHBondContact O-N 2.95Å; A162-I191 HydrophobicContact CB-CD1 3.61Å
163	F	98.7	Very high	98.2	Very high	0 Å²	0	9 Å²	9	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-69.1	-40.2	175.8	-75.5	-8.4	0	0	0	112.7	I159 Y165 L166 H167 Y173 L176 D229 W230 L233	I159-F163 HydrophobicContact CG2-CD1 4.45Å; I159-F163 HydrophobicContact CG2-CD2 3.92Å; I159-F163 HydrophobicContact CG2-CE1 4.26Å; I159-F163 HydrophobicContact CG2-CE2 3.68Å; I159-F163 HydrophobicContact CG2-CG 4.31Å; I159-F163 HydrophobicContact CG2-CZ 3.9Å; I159-F163 WeakPolarHBondContact O-CB 3.46Å; I159-F163 PolarHBondContact O-N 3.46Å; F163-Y165 VanDerWaalsContact C-N 3.27Å; F163-Y165 PolarHBondContact O-N 2.62Å; F163-L166 HydrophobicContact CD1-CD1 4.4Å; F163-L166 PolarHBondContact O-N 3.24Å; F163-H167 WeakPolarHBondContact O-CB 3.33Å; F163-H167 PolarHBondContact O-CD2 3.37Å; F163-H167 PolarHBondContact O-N 2.84Å; F163-Y173 HydrophobicContact CE1-CD1 4.01Å; F163-Y173 HydrophobicContact CE1-CG 4.27Å; F163-Y173 HydrophobicContact CZ-CD1 4.35Å; F163-L176 HydrophobicContact CE2-CD2 3.89Å; F163-L176 HydrophobicContact CZ-CB 4.06Å; F163-L176 HydrophobicContact CZ-CD1 4.16Å; F163-L176 HydrophobicContact CZ-CD2 3.75Å; F163-L176 HydrophobicContact CZ-CG 4.21Å; F163-D229 HydrophobicContact CD2-CB 3.95Å; F163-D229 HydrophobicContact CE1-CB 4.31Å; F163-D229 HydrophobicContact CE2-CB 3.65Å; F163-D229 VanDerWaalsContact CE2-O 3.24Å; F163-D229 WeakPolarHBondContact CE2-O 3.39Å; F163-D229 HydrophobicContact CG-CB 4.41Å; F163-D229 HydrophobicContact CZ-CB 3.81Å; F163-W230 HydrophobicContact CB-CH2 3.52Å; F163-W230 HydrophobicContact CB-CZ2 3.98Å; F163-W230 HydrophobicContact CB-CZ3 3.88Å; F163-W230 AromaticContact CD2-CE3 4Å; F163-W230 HydrophobicContact CD2-CE3 4Å; F163-W230 HydrophobicContact CD2-CH2 4.37Å; F163-W230 AromaticContact CD2-CZ3 3.9Å; F163-W230 HydrophobicContact CD2-CZ3 3.9Å; F163-W230 HydrophobicContact CG-CH2 4.49Å; F163-W230 HydrophobicContact CG-CZ3 4.42Å; F163-L233 HydrophobicContact CE2-CB 4.29Å
164	E	97.5	Very high	98.1	Very high	30 Å²	30	7.6 Å²	7.6	14%	0.14	4%	0.039	C	C	.	.	H	α-helix	trans	-56.1	-45.9	172.1	-179.4	-178.8	-131.9	0	0	111.4	L28 V160 L161 S168 V297 K301	L28-E164 HydrophobicContact CD1-CG 4.02Å; V160-E164 WeakPolarHBondContact O-CB 3.45Å; V160-E164 PolarHBondContact O-N 2.81Å; L161-E164 PolarHBondContact O-N 3.45Å; E164-S168 WeakPolarHBondContact O-CB 3.28Å; E164-S168 PolarHBondContact O-N 2.74Å; E164-S168 VanDerWaalsContact O-N 3.1Å; E164-V297 HydrophobicContact CB-CG1 4.47Å; E164-V297 HydrophobicContact CB-CG2 4.3Å; E164-V297 HydrophobicContact CG-CG1 4Å; E164-V297 WeakPolarHBondContact OE1-CG1 3.41Å; E164-K301 IonicContact OE1-NZ 3.75Å; E164-K301 PolarHBondContact OE1-NZ 2.91Å; E164-K301 WeakPolarHBondContact OE2-CE 3.28Å; E164-K301 IonicContact OE2-NZ 2.68Å; E164-K301 PolarHBondContact OE2-NZ 2.88Å
165	Y	97.5	Very high	98	Very high	1 Å²	1	7.2 Å²	7.2	0%	0.004	4%	0.038	C	C	.	.	H	α-helix	trans	-58.7	-58.4	173.7	170.8	-92.4	0	0	0	111.8	F27 L28 A31 I107 D108 F109 L112 L161 A162 F163 H167 S168 L169	F27-Y165 HydrophobicContact CE1-CD2 4.36Å; L28-Y165 HydrophobicContact CD2-CD2 4.36Å; A31-Y165 HydrophobicContact CB-CD2 4.28Å; A31-Y165 HydrophobicContact CB-CE2 3.76Å; I107-Y165 WeakPolarHBondContact CA-OH 3.26Å; I107-Y165 HydrophobicContact CB-CE1 4.12Å; I107-Y165 HydrophobicContact CG2-CE1 4.23Å; D108-Y165 PolarHBondContact N-OH 3.41Å; D108-Y165 WeakPolarHBondContact O-CE2 3.49Å; D108-Y165 PolarHBondContact O-OH 3.34Å; F109-Y165 HydrophobicContact CB-CD1 3.85Å; F109-Y165 HydrophobicContact CB-CD2 4.21Å; F109-Y165 HydrophobicContact CB-CE1 3.89Å; F109-Y165 HydrophobicContact CB-CE2 4.18Å; F109-Y165 HydrophobicContact CB-CG 4.03Å; F109-Y165 HydrophobicContact CD1-CG 4.42Å; F109-Y165 HydrophobicContact CD2-CD1 4.25Å; F109-Y165 AromaticContact CD2-CD2 3.4Å; F109-Y165 HydrophobicContact CD2-CD2 3.4Å; F109-Y165 AromaticContact CD2-CE2 3.96Å; F109-Y165 HydrophobicContact CD2-CE2 3.96Å; F109-Y165 AromaticContact CD2-CG 3.55Å; F109-Y165 HydrophobicContact CD2-CG 3.55Å; F109-Y165 AromaticContact CE2-CD2 4Å; F109-Y165 HydrophobicContact CE2-CD2 4Å; F109-Y165 HydrophobicContact CE2-CG 4.1Å; F109-Y165 HydrophobicContact CG-CD1 4Å; F109-Y165 AromaticContact CG-CD2 3.99Å; F109-Y165 HydrophobicContact CG-CD2 3.99Å; F109-Y165 HydrophobicContact CG-CE2 4.43Å; F109-Y165 AromaticContact CG-CG 3.74Å; F109-Y165 HydrophobicContact CG-CG 3.74Å; L112-Y165 HydrophobicContact CD1-CD1 3.75Å; L112-Y165 HydrophobicContact CD1-CE1 3.75Å; L161-Y165 WeakPolarHBondContact O-CB 3.38Å; L161-Y165 PolarHBondContact O-N 3.32Å; A162-Y165 WeakPolarHBondContact O-CB 3.25Å; A162-Y165 PolarHBondContact O-N 2.83Å; F163-Y165 VanDerWaalsContact C-N 3.27Å; F163-Y165 PolarHBondContact O-N 2.62Å; Y165-H167 PolarHBondContact O-N 2.9Å; Y165-S168 WeakPolarHBondContact O-CB 2.98Å; Y165-S168 PolarHBondContact O-N 2.96Å; Y165-S168 VanDerWaalsContact O-N 3.1Å; Y165-S168 PolarHBondContact O-OG 3.33Å; Y165-L169 HydrophobicContact CD1-CD1 4.21Å; Y165-L169 HydrophobicContact CE1-CD1 3.56Å; Y165-L169 HydrophobicContact CE2-CD1 4.19Å; Y165-L169 WeakPolarHBondContact O-CG 3.33Å
166	L	98.1	Very high	98	Very high	2 Å²	2	7.3 Å²	7.3	1%	0.01	4%	0.038	C	C	.	.	H	α-helix	trans	-59.4	-44.9	-176.6	-72.1	174.9	0	0	0	112	I107 L112 A162 F163 S168 L169 L171 F194	I107-L166 HydrophobicContact CG2-CD2 4.13Å; L112-L166 HydrophobicContact CD1-CD2 3.79Å; L112-L166 HydrophobicContact CD1-CG 4.1Å; L112-L166 HydrophobicContact CD2-CD1 4.37Å; A162-L166 WeakPolarHBondContact O-CB 3.45Å; A162-L166 VanDerWaalsContact O-CG 3.32Å; A162-L166 WeakPolarHBondContact O-CG 3.28Å; A162-L166 PolarHBondContact O-N 2.95Å; F163-L166 HydrophobicContact CD1-CD1 4.4Å; F163-L166 PolarHBondContact O-N 3.24Å; L166-S168 PolarHBondContact O-N 3.33Å; L166-L169 WeakPolarHBondContact O-CA 3.32Å; L166-L169 WeakPolarHBondContact O-CB 3.3Å; L166-L169 PolarHBondContact O-N 2.96Å; L166-L171 HydrophobicContact CB-CB 4.18Å; L166-L171 HydrophobicContact CD2-CB 4.3Å; L166-L171 HydrophobicContact CD2-CD1 3.74Å; L166-L171 WeakPolarHBondContact O-CB 3.36Å; L166-L171 PolarHBondContact O-N 3.41Å; L166-F194 HydrophobicContact CD1-CE1 4.24Å; L166-F194 HydrophobicContact CD1-CZ 4.49Å; L166-F194 HydrophobicContact CD2-CE1 4.03Å
167	H	97.4	Very high	98	Very high	11 Å²	11	8.8 Å²	8.8	5%	0.051	5%	0.045	C	C	.	.	H	α-helix	trans	-68.5	-23.6	-179	-67.1	-175.3	0	0	0	112.5	F163 Y165 L169 D170 L171 K226 D229 W230	F163-H167 WeakPolarHBondContact O-CB 3.33Å; F163-H167 PolarHBondContact O-CD2 3.37Å; F163-H167 PolarHBondContact O-N 2.84Å; Y165-H167 PolarHBondContact O-N 2.9Å; H167-L169 PolarHBondContact O-N 2.83Å; H167-D170 PolarHBondContact O-N 3.3Å; H167-L171 PolarHBondContact CD2-O 3.14Å; H167-K226 HydrophobicContact CB-CD 3.78Å; H167-K226 PolarHBondContact CE1-O 3.45Å; H167-D229 IonicContact CD2-OD2 2.8Å; H167-D229 IonicContact CE1-OD2 3.45Å; H167-D229 IonicContact NE2-OD2 3.12Å; H167-D229 PolarHBondContact NE2-OD2 3.39Å; H167-W230 AromaticContact CE1-CE2 3.67Å; H167-W230 AromaticContact CE1-CZ2 3.91Å; H167-W230 AromaticContact CE1-NE1 3.5Å; H167-W230 PolarHBondContact CE1-NE1 2.98Å; H167-W230 AromaticContact ND1-CE2 3.65Å; H167-W230 AromaticContact ND1-CZ2 3.63Å; H167-W230 AromaticContact ND1-NE1 3.41Å; H167-W230 PolarHBondContact ND1-NE1 3.42Å
168	S	96	Very high	97.9	Very high	21 Å²	21	8.8 Å²	8.8	15%	0.147	5%	0.045	C	C	.	.	H	α-helix	trans	-72.2	-15.7	172.6	83.7	0	0	0	0	113.1	R32 E164 Y165 L166	R32-S168 PolarHBondContact NE-O 2.88Å; R32-S168 PolarHBondContact NH2-O 3.07Å; E164-S168 WeakPolarHBondContact O-CB 3.28Å; E164-S168 PolarHBondContact O-N 2.74Å; E164-S168 VanDerWaalsContact O-N 3.1Å; Y165-S168 WeakPolarHBondContact O-CB 2.98Å; Y165-S168 PolarHBondContact O-N 2.96Å; Y165-S168 VanDerWaalsContact O-N 3.1Å; Y165-S168 PolarHBondContact O-OG 3.33Å; L166-S168 PolarHBondContact O-N 3.33Å
169	L	97.1	Very high	97.8	Very high	2 Å²	2	12 Å²	12	1%	0.01	6%	0.059	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.8	8.6	178.3	-54.6	178.2	0	0	0	112.8	R32 F35 I107 Y165 L166 H167 L171 R199	R32-L169 HydrophobicContact CB-CD2 3.98Å; R32-L169 HydrophobicContact CG-CD2 4.08Å; F35-L169 HydrophobicContact CB-CD1 4.06Å; F35-L169 HydrophobicContact CB-CD2 3.76Å; F35-L169 HydrophobicContact CB-CG 4.49Å; F35-L169 HydrophobicContact CD1-CB 4.17Å; F35-L169 HydrophobicContact CD1-CD1 4.38Å; F35-L169 HydrophobicContact CD1-CD2 3.97Å; F35-L169 HydrophobicContact CD1-CG 4.4Å; F35-L169 HydrophobicContact CD2-CD1 3.68Å; F35-L169 HydrophobicContact CE1-CB 4.19Å; F35-L169 HydrophobicContact CE2-CD1 4.21Å; F35-L169 HydrophobicContact CG-CB 4.4Å; F35-L169 HydrophobicContact CG-CD1 3.78Å; F35-L169 HydrophobicContact CG-CD2 3.87Å; F35-L169 HydrophobicContact CG-CG 4.22Å; F35-L169 HydrophobicContact CZ-CB 4.44Å; I107-L169 HydrophobicContact CG2-CD1 4.44Å; Y165-L169 HydrophobicContact CD1-CD1 4.21Å; Y165-L169 HydrophobicContact CE1-CD1 3.56Å; Y165-L169 HydrophobicContact CE2-CD1 4.19Å; Y165-L169 WeakPolarHBondContact O-CG 3.33Å; L166-L169 WeakPolarHBondContact O-CA 3.32Å; L166-L169 WeakPolarHBondContact O-CB 3.3Å; L166-L169 PolarHBondContact O-N 2.96Å; H167-L169 PolarHBondContact O-N 2.83Å; L169-L171 HydrophobicContact CB-CD1 4.01Å; L169-L171 HydrophobicContact CB-CG 4.1Å; L169-L171 HydrophobicContact CD1-CD1 4.15Å; L169-L171 PolarHBondContact O-N 3.28Å; L169-R199 PolarHBondContact O-NE 3.28Å
170	D	97.2	Very high	97.7	Very high	54 Å²	54	12.6 Å²	12.6	29%	0.289	6%	0.063	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.5	24.4	-171	-51.8	-51.2	0	0	0	113.7	H167 R199 V200 K201	H167-D170 PolarHBondContact O-N 3.3Å; D170-R199 HydrophobicContact CB-CG 4.16Å; D170-R199 CarbonylContact O-C 3.59Å; D170-R199 VanDerWaalsContact O-CA 3.26Å; D170-R199 WeakPolarHBondContact O-CA 3.3Å; D170-V200 PolarHBondContact O-N 2.94Å; D170-K201 HydrophobicContact CB-CG 4.2Å; D170-K201 VanDerWaalsContact OD2-CE 3.27Å; D170-K201 WeakPolarHBondContact OD2-CE 3.49Å
171	L	98.3	Very high	97.7	Very high	2 Å²	2	12.6 Å²	12.6	1%	0.01	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	136.2	177	-62.5	169.1	0	0	0	110.8	F35 I103 I107 L166 H167 L169 K198 R199	F35-L171 HydrophobicContact CE2-CD1 3.89Å; F35-L171 HydrophobicContact CZ-CD1 4.09Å; F35-L171 HydrophobicContact CZ-CD2 4.38Å; F35-L171 HydrophobicContact CZ-CG 4.39Å; I103-L171 HydrophobicContact CD1-CD2 3.86Å; I103-L171 HydrophobicContact CG1-CD2 3.8Å; I103-L171 HydrophobicContact CG2-CD1 3.99Å; I103-L171 HydrophobicContact CG2-CD2 4.21Å; I107-L171 HydrophobicContact CG2-CD1 3.73Å; L166-L171 HydrophobicContact CB-CB 4.18Å; L166-L171 HydrophobicContact CD2-CB 4.3Å; L166-L171 HydrophobicContact CD2-CD1 3.74Å; L166-L171 WeakPolarHBondContact O-CB 3.36Å; L166-L171 PolarHBondContact O-N 3.41Å; H167-L171 PolarHBondContact CD2-O 3.14Å; L169-L171 HydrophobicContact CB-CD1 4.01Å; L169-L171 HydrophobicContact CB-CG 4.1Å; L169-L171 HydrophobicContact CD1-CD1 4.15Å; L169-L171 PolarHBondContact O-N 3.28Å; L171-K198 WeakPolarHBondContact CA-O 3.47Å; L171-R199 HydrophobicContact CD2-CB 3.68Å; L171-R199 HydrophobicContact CD2-CG 4.04Å
172	I	98.1	Very high	97.7	Very high	4 Å²	4	13.4 Å²	13.4	2%	0.021	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	132.7	167	-46.5	178.2	0	0	0	107.4	R174 A197 K198 V200 K226 V228 D229	I172-R174 HydrophobicContact CB-CG 4Å; I172-R174 HydrophobicContact CG2-CG 3.38Å; I172-A197 CarbonylContact O-C 3.59Å; I172-A197 VanDerWaalsContact O-CA 3.23Å; I172-A197 WeakPolarHBondContact O-CA 3.35Å; I172-K198 PolarHBondContact N-O 3.28Å; I172-K198 PolarHBondContact O-N 2.76Å; I172-V200 HydrophobicContact CD1-CG1 3.35Å; I172-V200 HydrophobicContact CG1-CG1 3.84Å; I172-K226 HydrophobicContact CG1-CB 4.18Å; I172-V228 HydrophobicContact CG2-CG2 4Å; I172-D229 VanDerWaalsContact CG2-OD2 3.31Å; I172-D229 WeakPolarHBondContact CG2-OD2 3.34Å
173	Y	98.5	Very high	97.6	Very high	2 Å²	2	13.4 Å²	13.4	1%	0.008	7%	0.067	C	C	.	.			trans	-83.7	-47.7	-174.9	178.9	-116.8	0	0	0	113.2	F163 D175 L176 N180 I191 T192 D193 F194 F196 D229	F163-Y173 HydrophobicContact CE1-CD1 4.01Å; F163-Y173 HydrophobicContact CE1-CG 4.27Å; F163-Y173 HydrophobicContact CZ-CD1 4.35Å; Y173-D175 VanDerWaalsContact C-N 3.31Å; Y173-D175 WeakPolarHBondContact CE1-O 3.44Å; Y173-D175 PolarHBondContact O-N 2.85Å; Y173-L176 HydrophobicContact CD1-CB 4.17Å; Y173-L176 HydrophobicContact CE1-CB 4.17Å; Y173-L176 HydrophobicContact CE1-CD1 4.47Å; Y173-N180 VanDerWaalsContact OH-CB 3.3Å; Y173-N180 WeakPolarHBondContact OH-CB 3.24Å; Y173-I191 HydrophobicContact CD2-CG2 4.36Å; Y173-I191 HydrophobicContact CE1-CG2 3.91Å; Y173-I191 HydrophobicContact CE2-CG2 3.66Å; Y173-I191 VanDerWaalsContact CZ-CG2 3.41Å; Y173-I191 WeakPolarHBondContact OH-CG2 3.31Å; Y173-T192 PolarHBondContact OH-O 2.59Å; Y173-D193 VanDerWaalsContact CE2-O 3.29Å; Y173-D193 WeakPolarHBondContact CE2-O 3.45Å; Y173-D193 PolarHBondContact OH-O 3.36Å; Y173-F194 HydrophobicContact CD2-CD1 4.22Å; Y173-F194 HydrophobicContact CD2-CE1 4.12Å; Y173-F194 HydrophobicContact CD2-CZ 4.34Å; Y173-F194 HydrophobicContact CE2-CD1 4.43Å; Y173-F194 HydrophobicContact CE2-CD2 4.18Å; Y173-F194 HydrophobicContact CE2-CE1 4.44Å; Y173-F194 HydrophobicContact CE2-CE2 4.21Å; Y173-F194 HydrophobicContact CE2-CG 4.3Å; Y173-F194 HydrophobicContact CE2-CZ 4.34Å; Y173-F196 CarbonylContact O-C 3.6Å; Y173-D229 PolarHBondContact N-OD1 3.39Å; Y173-D229 PolarHBondContact N-OD2 3.1Å
174	R	98	Very high	97.5	Very high	14 Å²	14	14.1 Å²	14.1	5%	0.053	7%	0.071	C	C	.	.			trans	68	2.8	169.8	-51.1	-171.2	-68.6	167.3	3.1	118.4	I172 F196 G209 Y224 V228 D229	I172-R174 HydrophobicContact CB-CG 4Å; I172-R174 HydrophobicContact CG2-CG 3.38Å; R174-F196 HydrophobicContact CB-CB 4.21Å; R174-F196 PolarHBondContact NE-O 2.73Å; R174-F196 PolarHBondContact NH2-O 3.47Å; R174-G209 WeakPolarHBondContact O-CA 3.29Å; R174-Y224 WeakPolarHBondContact CD-OH 3.49Å; R174-Y224 PolarHBondContact NH1-OH 2.57Å; R174-V228 HydrophobicContact CG-CG2 4.48Å; R174-D229 PolarHBondContact N-OD1 3.23Å
175	D	97.4	Very high	97.4	Very high	6 Å²	6	16.2 Å²	16.2	3%	0.032	9%	0.088	C	C	.	.			trans	-141.3	44.3	175	-151.6	31.6	0	0	0	113.6	Y173 K177 N180 F196 G209 T210	Y173-D175 VanDerWaalsContact C-N 3.31Å; Y173-D175 WeakPolarHBondContact CE1-O 3.44Å; Y173-D175 PolarHBondContact O-N 2.85Å; D175-K177 PolarHBondContact O-N 2.91Å; D175-K177 IonicContact OD1-NZ 2.63Å; D175-K177 VanDerWaalsContact OD2-CE 3.22Å; D175-K177 WeakPolarHBondContact OD2-CE 3.46Å; D175-K177 IonicContact OD2-NZ 3.5Å; D175-K177 PolarHBondContact OD2-NZ 2.82Å; D175-N180 PolarHBondContact O-ND2 3.47Å; D175-N180 PolarHBondContact OD2-ND2 3.45Å; D175-F196 HydrophobicContact CB-CD2 3.82Å; D175-G209 WeakPolarHBondContact OD1-CA 3.36Å; D175-T210 PolarHBondContact OD1-N 2.85Å; D175-T210 PolarHBondContact OD1-OG1 3.25Å
176	L	98.7	Very high	97.3	Very high	1 Å²	1	19.3 Å²	19.3	1%	0.005	11%	0.108	C	C	.	.			trans	-68.8	123.4	173.9	-174.6	72.2	0	0	0	110.2	I159 F163 Y173 L181 Y213 A232 L233 L236	I159-L176 HydrophobicContact CD1-CD1 4.13Å; I159-L176 HydrophobicContact CG2-CD1 4.03Å; I159-L176 HydrophobicContact CG2-CD2 3.9Å; F163-L176 HydrophobicContact CE2-CD2 3.89Å; F163-L176 HydrophobicContact CZ-CB 4.06Å; F163-L176 HydrophobicContact CZ-CD1 4.16Å; F163-L176 HydrophobicContact CZ-CD2 3.75Å; F163-L176 HydrophobicContact CZ-CG 4.21Å; Y173-L176 HydrophobicContact CD1-CB 4.17Å; Y173-L176 HydrophobicContact CE1-CB 4.17Å; Y173-L176 HydrophobicContact CE1-CD1 4.47Å; L176-L181 HydrophobicContact CD1-CD1 4.3Å; L176-L181 HydrophobicContact CD1-CD2 3.99Å; L176-L181 HydrophobicContact CD1-CG 4.45Å; L176-Y213 WeakPolarHBondContact O-CD1 3.39Å; L176-Y213 WeakPolarHBondContact O-CE1 3.2Å; L176-A232 HydrophobicContact CB-CB 3.99Å; L176-A232 HydrophobicContact CD2-CB 4.27Å; L176-L233 HydrophobicContact CD2-CB 4.36Å; L176-L236 HydrophobicContact CD1-CD2 4.06Å; L176-L236 HydrophobicContact CD2-CB 4.05Å; L176-L236 HydrophobicContact CD2-CD2 3.83Å; L176-L236 HydrophobicContact CG-CD2 4.04Å
177	K	97.8	Very high	97.2	Very high	32 Å²	32	19.2 Å²	19.2	14%	0.139	11%	0.107	C	C	.	.	S	Bend	trans	-166.1	158.1	174.2	60.5	-177	162.4	-164	0	109.6	D175 E179 N180 L181 T210 Y213	D175-K177 PolarHBondContact O-N 2.91Å; D175-K177 IonicContact OD1-NZ 2.63Å; D175-K177 VanDerWaalsContact OD2-CE 3.22Å; D175-K177 WeakPolarHBondContact OD2-CE 3.46Å; D175-K177 IonicContact OD2-NZ 3.5Å; D175-K177 PolarHBondContact OD2-NZ 2.82Å; K177-E179 VanDerWaalsContact CB-OE2 3.26Å; K177-E179 WeakPolarHBondContact CB-OE2 3.41Å; K177-E179 HydrophobicContact CD-CB 4.12Å; K177-E179 WeakPolarHBondContact CD-OE2 3.29Å; K177-E179 HydrophobicContact CG-CB 4.12Å; K177-E179 VanDerWaalsContact CG-OE2 3.29Å; K177-E179 WeakPolarHBondContact CG-OE2 3.39Å; K177-E179 PolarHBondContact O-N 3.5Å; K177-E179 VanDerWaalsContact O-N 3.12Å; K177-N180 VanDerWaalsContact CE-CG 3.44Å; K177-N180 WeakPolarHBondContact CE-ND2 3.39Å; K177-N180 WeakPolarHBondContact CE-OD1 3.46Å; K177-N180 HydrophobicContact CG-CB 4.19Å; K177-N180 PolarHBondContact O-N 3.41Å; K177-L181 WeakPolarHBondContact O-CG 3.31Å; K177-T210 HydrophobicContact CD-CG2 4.14Å; K177-T210 WeakPolarHBondContact CD-OG1 3.3Å; K177-T210 PolarHBondContact NZ-OG1 3.48Å; K177-Y213 HydrophobicContact CB-CD2 4.03Å; K177-Y213 HydrophobicContact CB-CE1 4.48Å; K177-Y213 HydrophobicContact CB-CE2 3.86Å; K177-Y213 HydrophobicContact CB-CG 4.46Å
178	P	97.7	Very high	97.3	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	11%	0.106	C	C	.	.	G	3₁₀ helix	trans	-55.2	-28.3	-179	-27.4	34.5	0	0	0	114.7	M137 F138 L141 N180 L181 Y213 L236	M137-P178 HydrophobicContact CB-CB 4.37Å; M137-P178 HydrophobicContact CG-CB 4.27Å; M137-P178 HydrophobicContact SD-CB 4.41Å; F138-P178 HydrophobicContact CB-CB 3.85Å; F138-P178 HydrophobicContact CD2-CB 4.25Å; F138-P178 PolarHBondContact N-O 2.83Å; L141-P178 HydrophobicContact CD2-CG 4.38Å; P178-N180 VanDerWaalsContact C-N 3.32Å; P178-L181 PolarHBondContact O-N 3.2Å; P178-Y213 WeakPolarHBondContact CD-OH 3.39Å; P178-L236 HydrophobicContact CG-CD1 3.84Å
179	E	95.3	Very high	97.4	Very high	66 Å²	66	17.9 Å²	17.9	31%	0.308	10%	0.099	S	C	.	.	G	3₁₀ helix	trans	-67.5	-32	178.3	-60.4	88.9	151.7	0	0	111.8	F138 K177 L181	F138-E179 HydrophobicContact CB-CG 4Å; F138-E179 HydrophobicContact CD2-CG 3.83Å; F138-E179 HydrophobicContact CE2-CG 4.45Å; F138-E179 HydrophobicContact CG-CG 3.9Å; K177-E179 VanDerWaalsContact CB-OE2 3.26Å; K177-E179 WeakPolarHBondContact CB-OE2 3.41Å; K177-E179 HydrophobicContact CD-CB 4.12Å; K177-E179 WeakPolarHBondContact CD-OE2 3.29Å; K177-E179 HydrophobicContact CG-CB 4.12Å; K177-E179 VanDerWaalsContact CG-OE2 3.29Å; K177-E179 WeakPolarHBondContact CG-OE2 3.39Å; K177-E179 PolarHBondContact O-N 3.5Å; K177-E179 VanDerWaalsContact O-N 3.12Å; E179-L181 VanDerWaalsContact C-N 3.31Å
180	N	97.3	Very high	97.5	Very high	13 Å²	13	18.4 Å²	18.4	7%	0.07	10%	0.101	C	C	.	.	G	3₁₀ helix	trans	-92.8	11.3	178.9	-69.7	-7	0	0	0	113	Y173 D175 K177 P178 T192	Y173-N180 VanDerWaalsContact OH-CB 3.3Å; Y173-N180 WeakPolarHBondContact OH-CB 3.24Å; D175-N180 PolarHBondContact O-ND2 3.47Å; D175-N180 PolarHBondContact OD2-ND2 3.45Å; K177-N180 VanDerWaalsContact CE-CG 3.44Å; K177-N180 WeakPolarHBondContact CE-ND2 3.39Å; K177-N180 WeakPolarHBondContact CE-OD1 3.46Å; K177-N180 HydrophobicContact CG-CB 4.19Å; K177-N180 PolarHBondContact O-N 3.41Å; P178-N180 VanDerWaalsContact C-N 3.32Å; N180-T192 WeakPolarHBondContact O-CG2 3.36Å; N180-T192 PolarHBondContact O-N 3.37Å
181	L	98.3	Very high	97.5	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	111.9	178.4	-60.7	-179.4	0	0	0	109.5	M137 I159 L176 K177 P178 E179 L189 I191 L236	M137-L181 HydrophobicContact CB-CB 4Å; M137-L181 WeakPolarHBondContact CB-O 3.31Å; M137-L181 HydrophobicContact CE-CB 4.36Å; M137-L181 HydrophobicContact CE-CD1 3.83Å; M137-L181 PolarHBondContact N-O 3.32Å; M137-L181 HydrophobicContact SD-CD1 3.88Å; I159-L181 HydrophobicContact CD1-CD1 4.14Å; I159-L181 HydrophobicContact CD1-CD2 3.62Å; L176-L181 HydrophobicContact CD1-CD1 4.3Å; L176-L181 HydrophobicContact CD1-CD2 3.99Å; L176-L181 HydrophobicContact CD1-CG 4.45Å; K177-L181 WeakPolarHBondContact O-CG 3.31Å; P178-L181 PolarHBondContact O-N 3.2Å; E179-L181 VanDerWaalsContact C-N 3.31Å; L181-L189 HydrophobicContact CB-CD2 4.47Å; L181-L189 HydrophobicContact CD1-CD1 4.49Å; L181-I191 HydrophobicContact CD2-CB 4.33Å; L181-I191 HydrophobicContact CD2-CG1 3.71Å; L181-I191 HydrophobicContact CD2-CG2 4.49Å; L181-L236 HydrophobicContact CD1-CD1 3.97Å; L181-L236 HydrophobicContact CD1-CD2 3.64Å; L181-L236 HydrophobicContact CD1-CG 4.46Å
182	L	97.7	Very high	97.5	Very high	21 Å²	21	17.1 Å²	17.1	11%	0.11	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	147.8	175	-57.3	175	0	0	0	110.2	I132 G135 E136 L189 K190 T192	I132-L182 HydrophobicContact CB-CB 3.89Å; I132-L182 HydrophobicContact CB-CD1 3.88Å; I132-L182 HydrophobicContact CG1-CB 4.39Å; I132-L182 HydrophobicContact CG1-CD1 4.08Å; I132-L182 HydrophobicContact CG2-CB 3.56Å; G135-L182 CarbonylContact O-C 3.39Å; G135-L182 WeakPolarHBondContact O-CA 3.36Å; E136-L182 HydrophobicContact CG-CD2 3.88Å; L182-L189 CarbonylContact O-C 3.48Å; L182-L189 VanDerWaalsContact O-CA 3.3Å; L182-L189 WeakPolarHBondContact O-CA 3.38Å; L182-K190 HydrophobicContact CB-CB 4.36Å; L182-K190 PolarHBondContact N-O 2.89Å; L182-K190 PolarHBondContact O-N 3.21Å; L182-T192 HydrophobicContact CD1-CG2 4.01Å; L182-T192 HydrophobicContact CG-CG2 3.96Å
183	I	97.6	Very high	97.2	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	124.3	174	-54.7	-177.5	0	0	0	108.5	I132 G134 G135 Y188 L189 F323 P325	I132-I183 VanDerWaalsContact CG2-C 3.48Å; I132-I183 VanDerWaalsContact CG2-O 3.26Å; I132-I183 WeakPolarHBondContact CG2-O 3.49Å; G134-I183 CarbonylContact C-O 3.55Å; G134-I183 WeakPolarHBondContact CA-O 3.44Å; G134-I183 PolarHBondContact N-O 3.3Å; G135-I183 PolarHBondContact O-N 3.48Å; I183-Y188 CarbonylContact C-O 3.6Å; I183-Y188 WeakPolarHBondContact CA-O 3.39Å; I183-L189 HydrophobicContact CG1-CD2 4Å; I183-F323 HydrophobicContact CD1-CD1 4.02Å; I183-F323 HydrophobicContact CD1-CE1 4.13Å; I183-F323 HydrophobicContact CG2-CD1 4.43Å; I183-P325 HydrophobicContact CG2-CG 4.13Å
184	D	95.9	Very high	97.1	Very high	15 Å²	15	19.5 Å²	19.5	8%	0.08	11%	0.108	C	C	.	.	P	Polyproline II helix	trans	-78.7	172.2	175.9	74.6	23.7	0	0	0	112.3	I132 T186 G187 Y188 K317 P325	I132-D184 HydrophobicContact CG2-CB 4Å; D184-T186 PolarHBondContact O-N 3.26Å; D184-T186 VanDerWaalsContact O-N 3.08Å; D184-T186 VanDerWaalsContact OD1-CA 3.28Å; D184-T186 WeakPolarHBondContact OD1-CA 3.47Å; D184-T186 WeakPolarHBondContact OD1-CB 3.48Å; D184-T186 PolarHBondContact OD1-N 2.96Å; D184-T186 PolarHBondContact OD1-OG1 2.62Å; D184-T186 PolarHBondContact OD2-OG1 2.99Å; D184-G187 PolarHBondContact O-N 3.19Å; D184-G187 PolarHBondContact OD1-N 2.94Å; D184-G187 VanDerWaalsContact OD1-N 3.13Å; D184-Y188 PolarHBondContact N-O 3.47Å; D184-Y188 PolarHBondContact OD1-N 3.15Å; D184-K317 IonicContact OD2-NZ 2.68Å; D184-K317 PolarHBondContact OD2-NZ 2.92Å; D184-P325 WeakPolarHBondContact O-CD 3.36Å; D184-P325 VanDerWaalsContact O-CG 3.24Å; D184-P325 WeakPolarHBondContact O-CG 3.48Å
185	S	94.4	Very high	96.9	Very high	73 Å²	73	19.5 Å²	19.5	51%	0.51	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-13.6	-179.5	58.8	0	0	0	0	114.1
186	T	95.6	Very high	96.8	Very high	67 Å²	67	22 Å²	22	41%	0.411	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.8	1.5	174.7	69.2	0	0	0	0	112.5	D184 Y188 A321 L324	D184-T186 PolarHBondContact O-N 3.26Å; D184-T186 VanDerWaalsContact O-N 3.08Å; D184-T186 VanDerWaalsContact OD1-CA 3.28Å; D184-T186 WeakPolarHBondContact OD1-CA 3.47Å; D184-T186 WeakPolarHBondContact OD1-CB 3.48Å; D184-T186 PolarHBondContact OD1-N 2.96Å; D184-T186 PolarHBondContact OD1-OG1 2.62Å; D184-T186 PolarHBondContact OD2-OG1 2.99Å; T186-Y188 VanDerWaalsContact C-N 3.31Å; T186-A321 VanDerWaalsContact O-CB 3.27Å; T186-A321 WeakPolarHBondContact O-CB 3.36Å; T186-L324 VanDerWaalsContact C-CD2 3.41Å; T186-L324 WeakPolarHBondContact O-CD2 3.48Å
187	G	97.3	Very high	96.7	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.124	C	C	.	.	S	Bend	trans	82.3	4.4	-179.5	0	0	0	0	0	114.4	Y155 D184 F323	Y155-G187 WeakPolarHBondContact CE1-O 3.49Å; D184-G187 PolarHBondContact O-N 3.19Å; D184-G187 PolarHBondContact OD1-N 2.94Å; D184-G187 VanDerWaalsContact OD1-N 3.13Å; G187-F323 WeakPolarHBondContact CA-O 3.43Å
188	Y	98.4	Very high	96.6	Very high	4 Å²	4	22.7 Å²	22.7	2%	0.016	13%	0.126	C	C	.	.			trans	-88.6	158.9	177.5	-82.9	-96.4	0	0	0	111.6	F111 F154 Q158 I183 D184 T186 K317 K318 I319	F111-Y188 HydrophobicContact CD1-CD1 4.35Å; F111-Y188 AromaticContact CE1-CD1 3.64Å; F111-Y188 HydrophobicContact CE1-CD1 3.64Å; F111-Y188 HydrophobicContact CE1-CE1 4.16Å; F111-Y188 HydrophobicContact CZ-CD1 4.42Å; F154-Y188 HydrophobicContact CE2-CD1 4.49Å; F154-Y188 AromaticContact CE2-CE1 3.83Å; F154-Y188 HydrophobicContact CE2-CE1 3.83Å; F154-Y188 HydrophobicContact CE2-CE2 4.29Å; F154-Y188 AromaticContact CE2-CZ 3.71Å; F154-Y188 AromaticContact CZ-CD1 3.86Å; F154-Y188 HydrophobicContact CZ-CD1 3.86Å; F154-Y188 HydrophobicContact CZ-CD2 4.05Å; F154-Y188 AromaticContact CZ-CE1 3.63Å; F154-Y188 HydrophobicContact CZ-CE1 3.63Å; F154-Y188 AromaticContact CZ-CE2 3.83Å; F154-Y188 HydrophobicContact CZ-CE2 3.83Å; F154-Y188 HydrophobicContact CZ-CG 4.07Å; F154-Y188 AromaticContact CZ-CZ 3.6Å; Q158-Y188 HydrophobicContact CG-CD1 4.29Å; Q158-Y188 VanDerWaalsContact OE1-CD1 3.3Å; I183-Y188 CarbonylContact C-O 3.6Å; I183-Y188 WeakPolarHBondContact CA-O 3.39Å; D184-Y188 PolarHBondContact N-O 3.47Å; D184-Y188 PolarHBondContact OD1-N 3.15Å; T186-Y188 VanDerWaalsContact C-N 3.31Å; Y188-K317 HydrophobicContact CD1-CB 4.5Å; Y188-K317 HydrophobicContact CD1-CD 4.29Å; Y188-K317 HydrophobicContact CD1-CG 3.88Å; Y188-K317 HydrophobicContact CD2-CB 4.25Å; Y188-K317 HydrophobicContact CD2-CD 4.19Å; Y188-K317 HydrophobicContact CD2-CG 4.22Å; Y188-K317 HydrophobicContact CE1-CB 4.16Å; Y188-K317 HydrophobicContact CE1-CG 3.92Å; Y188-K317 HydrophobicContact CE2-CB 3.89Å; Y188-K317 HydrophobicContact CE2-CG 4.26Å; Y188-K317 HydrophobicContact CG-CD 3.99Å; Y188-K317 HydrophobicContact CG-CG 4.03Å; Y188-K317 VanDerWaalsContact CZ-CA 3.45Å; Y188-K317 VanDerWaalsContact OH-C 3.27Å; Y188-K317 VanDerWaalsContact OH-CA 3.28Å; Y188-K317 WeakPolarHBondContact OH-CA 3.12Å; Y188-K318 PolarHBondContact OH-N 3.38Å; Y188-I319 PolarHBondContact OH-N 3.44Å; Y188-I319 PolarHBondContact OH-O 3.44Å
189	L	98.4	Very high	96.6	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	151.2	-178.5	-64.3	-179.5	0	0	0	113.1	F111 M137 Y155 Q158 I159 L181 L182 I183	F111-L189 WeakPolarHBondContact CA-O 3.31Å; M137-L189 HydrophobicContact CE-CD1 3.75Å; M137-L189 HydrophobicContact CE-CD2 3.43Å; M137-L189 VanDerWaalsContact CE-CD2 3.43Å; M137-L189 HydrophobicContact CE-CG 4.21Å; Y155-L189 HydrophobicContact CD1-CD1 3.73Å; Y155-L189 HydrophobicContact CD1-CD2 3.74Å; Y155-L189 HydrophobicContact CD1-CG 3.54Å; Y155-L189 HydrophobicContact CE1-CD2 3.91Å; Y155-L189 HydrophobicContact CE1-CG 4.08Å; Y155-L189 HydrophobicContact CG-CD1 3.97Å; Y155-L189 HydrophobicContact CG-CD2 4.33Å; Y155-L189 HydrophobicContact CG-CG 4.25Å; Q158-L189 HydrophobicContact CB-CD1 4.42Å; I159-L189 HydrophobicContact CD1-CD1 3.95Å; I159-L189 HydrophobicContact CG1-CD1 4.28Å; L181-L189 HydrophobicContact CB-CD2 4.47Å; L181-L189 HydrophobicContact CD1-CD1 4.49Å; L182-L189 CarbonylContact O-C 3.48Å; L182-L189 VanDerWaalsContact O-CA 3.3Å; L182-L189 WeakPolarHBondContact O-CA 3.38Å; I183-L189 HydrophobicContact CG1-CD2 4Å
190	K	98.5	Very high	96.6	Very high	12 Å²	12	24.9 Å²	24.9	5%	0.052	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	111	165.9	-73.8	-78.8	-175.4	167.4	0	108.5	P110 F111 L112 E130 I132 L182 T192	P110-K190 WeakPolarHBondContact O-CE 3.39Å; P110-K190 PolarHBondContact O-NZ 3.17Å; F111-K190 CarbonylContact O-C 3.49Å; F111-K190 WeakPolarHBondContact O-CA 3.3Å; L112-K190 WeakPolarHBondContact O-CD 3.21Å; L112-K190 PolarHBondContact O-NZ 3.09Å; E130-K190 WeakPolarHBondContact OE1-CE 3.28Å; E130-K190 IonicContact OE1-NZ 3.92Å; E130-K190 PolarHBondContact OE1-NZ 3.1Å; E130-K190 WeakPolarHBondContact OE2-CE 3.36Å; E130-K190 IonicContact OE2-NZ 2.69Å; E130-K190 PolarHBondContact OE2-NZ 2.94Å; I132-K190 HydrophobicContact CD1-CB 4.22Å; I132-K190 HydrophobicContact CD1-CD 4.23Å; I132-K190 HydrophobicContact CD1-CG 3.68Å; I132-K190 HydrophobicContact CG1-CB 3.93Å; I132-K190 HydrophobicContact CG1-CG 3.96Å; I132-K190 HydrophobicContact CG2-CB 4.39Å; I132-K190 HydrophobicContact CG2-CG 4.45Å; L182-K190 HydrophobicContact CB-CB 4.36Å; L182-K190 PolarHBondContact N-O 2.89Å; L182-K190 PolarHBondContact O-N 3.21Å; K190-T192 PolarHBondContact O-N 2.86Å
191	I	98.7	Very high	96.4	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	126.5	171.3	-55.1	-176.9	0	0	0	107.9	F111 L112 V113 I159 A162 Y173 L181 F194	F111-I191 PolarHBondContact O-N 3.23Å; L112-I191 HydrophobicContact CD2-CB 3.75Å; L112-I191 HydrophobicContact CD2-CD1 3.76Å; L112-I191 HydrophobicContact CD2-CG1 4Å; L112-I191 HydrophobicContact CD2-CG2 4.46Å; V113-I191 WeakPolarHBondContact CB-O 3.35Å; V113-I191 WeakPolarHBondContact CG1-O 3.47Å; V113-I191 PolarHBondContact N-O 3.09Å; I159-I191 HydrophobicContact CD1-CD1 3.77Å; I159-I191 HydrophobicContact CD1-CG1 3.93Å; A162-I191 HydrophobicContact CB-CD1 3.61Å; Y173-I191 HydrophobicContact CD2-CG2 4.36Å; Y173-I191 HydrophobicContact CE1-CG2 3.91Å; Y173-I191 HydrophobicContact CE2-CG2 3.66Å; Y173-I191 VanDerWaalsContact CZ-CG2 3.41Å; Y173-I191 WeakPolarHBondContact OH-CG2 3.31Å; L181-I191 HydrophobicContact CD2-CB 4.33Å; L181-I191 HydrophobicContact CD2-CG1 3.71Å; L181-I191 HydrophobicContact CD2-CG2 4.49Å; I191-F194 HydrophobicContact CG2-CE2 4.27Å
192	T	96.8	Very high	96.2	Very high	30 Å²	30	34.9 Å²	34.9	18%	0.184	19%	0.191	C	C	.	.			trans	-116.1	-175.4	176.2	-167.9	0	0	0	0	110.9	Y173 N180 L182 K190	Y173-T192 PolarHBondContact OH-O 2.59Å; N180-T192 WeakPolarHBondContact O-CG2 3.36Å; N180-T192 PolarHBondContact O-N 3.37Å; L182-T192 HydrophobicContact CD1-CG2 4.01Å; L182-T192 HydrophobicContact CG-CG2 3.96Å; K190-T192 PolarHBondContact O-N 2.86Å
193	D	93.8	Very high	96.1	Very high	55 Å²	55	41.6 Å²	41.6	29%	0.294	22%	0.215	S	C	.	.			trans	50.4	89.6	177.4	-158.9	-4.3	0	0	0	115.1	K81 Y173 G195	K81-D193 IonicContact NZ-OD1 3.71Å; K81-D193 PolarHBondContact NZ-OD1 3.2Å; Y173-D193 VanDerWaalsContact CE2-O 3.29Å; Y173-D193 WeakPolarHBondContact CE2-O 3.45Å; Y173-D193 PolarHBondContact OH-O 3.36Å; D193-G195 VanDerWaalsContact C-N 3.32Å; D193-G195 PolarHBondContact OD1-N 2.81Å
194	F	96.4	Very high	96	Very high	1 Å²	1	42 Å²	42	0%	0.004	22%	0.218	C	C	.	.			trans	-97.1	19.4	178.7	-80.9	-110	0	0	0	111.9	E100 I103 L104 I107 L112 L166 Y173 I191 F196 A197	E100-F194 HydrophobicContact CG-CB 4.03Å; E100-F194 PolarHBondContact OE1-N 3.36Å; I103-F194 HydrophobicContact CG2-CD1 3.67Å; I103-F194 HydrophobicContact CG2-CE1 4.14Å; L104-F194 HydrophobicContact CD1-CB 4.46Å; L104-F194 HydrophobicContact CD2-CB 4.19Å; L104-F194 HydrophobicContact CD2-CD2 3.56Å; L104-F194 HydrophobicContact CD2-CE2 4.07Å; L104-F194 HydrophobicContact CD2-CG 3.91Å; L104-F194 HydrophobicContact CG-CB 4.03Å; L104-F194 HydrophobicContact CG-CD2 4.35Å; L104-F194 HydrophobicContact CG-CG 4.25Å; I107-F194 HydrophobicContact CD1-CD1 4.19Å; I107-F194 HydrophobicContact CD1-CE1 3.57Å; I107-F194 HydrophobicContact CD1-CE2 4.1Å; I107-F194 HydrophobicContact CD1-CZ 3.51Å; L112-F194 HydrophobicContact CD1-CZ 4.37Å; L112-F194 HydrophobicContact CD2-CZ 4.04Å; L166-F194 HydrophobicContact CD1-CE1 4.24Å; L166-F194 HydrophobicContact CD1-CZ 4.49Å; L166-F194 HydrophobicContact CD2-CE1 4.03Å; Y173-F194 HydrophobicContact CD2-CD1 4.22Å; Y173-F194 HydrophobicContact CD2-CE1 4.12Å; Y173-F194 HydrophobicContact CD2-CZ 4.34Å; Y173-F194 HydrophobicContact CE2-CD1 4.43Å; Y173-F194 HydrophobicContact CE2-CD2 4.18Å; Y173-F194 HydrophobicContact CE2-CE1 4.44Å; Y173-F194 HydrophobicContact CE2-CE2 4.21Å; Y173-F194 HydrophobicContact CE2-CG 4.3Å; Y173-F194 HydrophobicContact CE2-CZ 4.34Å; I191-F194 HydrophobicContact CG2-CE2 4.27Å; F194-F196 PolarHBondContact O-N 2.89Å; F194-F196 VanDerWaalsContact O-N 3.15Å; F194-A197 HydrophobicContact CB-CB 3.95Å; F194-A197 HydrophobicContact CD1-CB 3.54Å; F194-A197 HydrophobicContact CE1-CB 4.48Å; F194-A197 HydrophobicContact CG-CB 4.15Å; F194-A197 WeakPolarHBondContact O-CB 3.5Å; F194-A197 PolarHBondContact O-N 3.45Å
195	G	93.4	Very high	96	Very high	13 Å²	13	49.6 Å²	49.6	13%	0.134	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-29.8	-177.4	0	0	0	0	0	114.5	D193	D193-G195 VanDerWaalsContact C-N 3.32Å; D193-G195 PolarHBondContact OD1-N 2.81Å
196	F	94.4	Very high	96	Very high	60 Å²	60	48.5 Å²	48.5	26%	0.263	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.6	3.2	173.5	-58.1	-36	0	0	0	113.6	Y173 R174 D175 F194 C208	Y173-F196 CarbonylContact O-C 3.6Å; R174-F196 HydrophobicContact CB-CB 4.21Å; R174-F196 PolarHBondContact NE-O 2.73Å; R174-F196 PolarHBondContact NH2-O 3.47Å; D175-F196 HydrophobicContact CB-CD2 3.82Å; F194-F196 PolarHBondContact O-N 2.89Å; F194-F196 VanDerWaalsContact O-N 3.15Å; F196-C208 HydrophobicContact CD1-CB 4.03Å; F196-C208 HydrophobicContact CD2-CB 4.24Å; F196-C208 HydrophobicContact CE1-CB 4.28Å; F196-C208 HydrophobicContact CE2-CB 4.49Å; F196-C208 HydrophobicContact CG-CB 4.04Å
197	A	96.9	Very high	95.9	Very high	3 Å²	3	50.8 Å²	50.8	3%	0.025	24%	0.244	C	C	.	.			trans	-66	142.5	177	0	0	0	0	0	110.7	I103 I172 F194	I103-A197 VanDerWaalsContact CD1-C 3.47Å; I103-A197 HydrophobicContact CD1-CB 3.58Å; I103-A197 WeakPolarHBondContact CD1-O 3.42Å; I172-A197 CarbonylContact O-C 3.59Å; I172-A197 VanDerWaalsContact O-CA 3.23Å; I172-A197 WeakPolarHBondContact O-CA 3.35Å; F194-A197 HydrophobicContact CB-CB 3.95Å; F194-A197 HydrophobicContact CD1-CB 3.54Å; F194-A197 HydrophobicContact CE1-CB 4.48Å; F194-A197 HydrophobicContact CG-CB 4.15Å; F194-A197 WeakPolarHBondContact O-CB 3.5Å; F194-A197 PolarHBondContact O-N 3.45Å
198	K	96	Very high	95.7	Very high	44 Å²	44	51.4 Å²	51.4	19%	0.191	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	135.9	179.5	-173.5	161	-173.6	135.3	0	111.7	E95 L171 I172	E95-K198 IonicContact OE1-NZ 3Å; E95-K198 PolarHBondContact OE1-NZ 2.9Å; L171-K198 WeakPolarHBondContact CA-O 3.47Å; I172-K198 PolarHBondContact N-O 3.28Å; I172-K198 PolarHBondContact O-N 2.76Å
199	R	96.7	Very high	95.4	Very high	80 Å²	80	52.4 Å²	52.4	30%	0.302	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	114.4	169.9	-161.9	177.3	179.8	-157.9	-3.5	110.1	W39 L169 D170 L171	W39-R199 HydrophobicContact CH2-CB 4.02Å; W39-R199 HydrophobicContact CZ2-CB 4.17Å; L169-R199 PolarHBondContact O-NE 3.28Å; D170-R199 HydrophobicContact CB-CG 4.16Å; D170-R199 CarbonylContact O-C 3.59Å; D170-R199 VanDerWaalsContact O-CA 3.26Å; D170-R199 WeakPolarHBondContact O-CA 3.3Å; L171-R199 HydrophobicContact CD2-CB 3.68Å; L171-R199 HydrophobicContact CD2-CG 4.04Å
200	V	95.8	Very high	95.3	Very high	32 Å²	32	53.5 Å²	53.5	19%	0.194	27%	0.266	C	S	.	.			trans	-153.4	127.5	-178.2	58.2	0	0	0	0	111.1	D170 I172	D170-V200 PolarHBondContact O-N 2.94Å; I172-V200 HydrophobicContact CD1-CG1 3.35Å; I172-V200 HydrophobicContact CG1-CG1 3.84Å
201	K	92.9	Very high	95.2	Very high	178 Å²	178	54.5 Å²	54.5	77%	0.774	27%	0.274	S	S	*	.	S	Bend	trans	-82.3	-28.4	176.5	-69.1	-176.6	176.4	-177.1	0	113.5	D170	D170-K201 HydrophobicContact CB-CG 4.2Å; D170-K201 VanDerWaalsContact OD2-CE 3.27Å; D170-K201 WeakPolarHBondContact OD2-CE 3.49Å
202	G	94.2	Very high	95.2	Very high	45 Å²	45	57.2 Å²	57.2	46%	0.464	29%	0.287	S	S	.	.	S	Bend	trans	-106.2	-134.7	-175	0	0	0	0	0	112.8
203	R	95.5	Very high	95.3	Very high	161 Å²	161	56.5 Å²	56.5	61%	0.608	28%	0.281	S	S	*	.			trans	-98.6	156.1	175.4	-68.3	179.3	178.4	-170.6	2.9	111.5	W205 G223 Y224	R203-W205 HydrophobicContact CB-CH2 3.82Å; R203-W205 HydrophobicContact CB-CZ2 4.19Å; R203-W205 HydrophobicContact CB-CZ3 4.15Å; R203-W205 VanDerWaalsContact O-CZ3 3.23Å; R203-W205 WeakPolarHBondContact O-CZ3 3.37Å; R203-G223 WeakPolarHBondContact CD-O 3.45Å; R203-Y224 CarbonylContact C-O 3.57Å; R203-Y224 WeakPolarHBondContact CA-O 3.42Å
204	T	95.9	Very high	95.5	Very high	10 Å²	10	54.2 Å²	54.2	6%	0.061	27%	0.269	C	S	.	.	B	Isolated β-bridge	trans	-131.3	166	168.1	-166.9	0	0	0	0	110.2	G223 Y224	T204-G223 CarbonylContact O-C 3.56Å; T204-G223 VanDerWaalsContact O-CA 3.28Å; T204-G223 WeakPolarHBondContact O-CA 3.35Å; T204-Y224 HydrophobicContact CG2-CD2 3.86Å; T204-Y224 HydrophobicContact CG2-CE1 4.05Å; T204-Y224 HydrophobicContact CG2-CE2 3.3Å; T204-Y224 HydrophobicContact CG2-CG 4.43Å; T204-Y224 VanDerWaalsContact CG2-CZ 3.42Å; T204-Y224 PolarHBondContact N-O 3.45Å; T204-Y224 VanDerWaalsContact O-CD1 3.3Å; T204-Y224 WeakPolarHBondContact O-CD1 3.32Å; T204-Y224 PolarHBondContact O-N 3.01Å
205	W	96.7	Very high	95.6	Very high	174 Å²	174	54.2 Å²	54.2	66%	0.659	27%	0.269	S	S	*	.			trans	-130.6	-4.4	-170.2	-71.5	-99.9	0	0	0	114.1	R203 L207	R203-W205 HydrophobicContact CB-CH2 3.82Å; R203-W205 HydrophobicContact CB-CZ2 4.19Å; R203-W205 HydrophobicContact CB-CZ3 4.15Å; R203-W205 VanDerWaalsContact O-CZ3 3.23Å; R203-W205 WeakPolarHBondContact O-CZ3 3.37Å; W205-L207 PolarHBondContact O-N 3.2Å
206	T	92.9	Very high	95.8	Very high	49 Å²	49	53.7 Å²	53.7	30%	0.301	26%	0.263	S	S	.	.			trans	-62	123	-177.6	-49.4	0	0	0	0	110.2	C208 Y224	T206-C208 HydrophobicContact CG2-CB 4.19Å; T206-C208 PolarHBondContact O-N 3.28Å; T206-Y224 VanDerWaalsContact O-CE1 3.31Å; T206-Y224 WeakPolarHBondContact O-CE1 3.39Å; T206-Y224 PolarHBondContact O-OH 2.8Å
207	L	93.8	Very high	96	Very high	116 Å²	116	51.3 Å²	51.3	61%	0.607	25%	0.253	S	S	*	.			trans	-75.1	100.6	168.7	178.7	62.4	0	0	0	108.4	W205 L214 I218	W205-L207 PolarHBondContact O-N 3.2Å; L207-L214 HydrophobicContact CD1-CD1 4.29Å; L207-I218 HydrophobicContact CD1-CG2 3.63Å
208	C	93.2	Very high	96	Very high	13 Å²	13	51.6 Å²	51.6	9%	0.088	25%	0.254	C	S	.	.			trans	-148.4	162.6	179.2	62.1	0	0	0	0	110.5	F196 T206 L214	F196-C208 HydrophobicContact CD1-CB 4.03Å; F196-C208 HydrophobicContact CD2-CB 4.24Å; F196-C208 HydrophobicContact CE1-CB 4.28Å; F196-C208 HydrophobicContact CE2-CB 4.49Å; F196-C208 HydrophobicContact CG-CB 4.04Å; T206-C208 HydrophobicContact CG2-CB 4.19Å; T206-C208 PolarHBondContact O-N 3.28Å; C208-L214 WeakPolarHBondContact O-CD2 3.21Å
209	G	93.4	Very high	96.1	Very high	24 Å²	24	51.1 Å²	51.1	25%	0.247	25%	0.253	C	S	.	.	S	Bend	trans	112.4	-175.7	-175.2	0	0	0	0	0	111.7	R174 D175	R174-G209 WeakPolarHBondContact O-CA 3.29Å; D175-G209 WeakPolarHBondContact OD1-CA 3.36Å
210	T	94.7	Very high	96.1	Very high	23 Å²	23	51.1 Å²	51.1	14%	0.141	26%	0.259	C	S	.	.			trans	-99.5	134.4	-176.6	-57.9	0	0	0	0	110.5	D175 K177 E212 Y213 L214	D175-T210 PolarHBondContact OD1-N 2.85Å; D175-T210 PolarHBondContact OD1-OG1 3.25Å; K177-T210 HydrophobicContact CD-CG2 4.14Å; K177-T210 WeakPolarHBondContact CD-OG1 3.3Å; K177-T210 PolarHBondContact NZ-OG1 3.48Å; T210-E212 VanDerWaalsContact C-N 3.33Å; T210-E212 PolarHBondContact O-N 3.02Å; T210-E212 VanDerWaalsContact O-N 3.14Å; T210-Y213 PolarHBondContact O-N 3.48Å; T210-L214 PolarHBondContact O-N 2.86Å
211	P	97.3	Very high	96.1	Very high	33 Å²	33	54 Å²	54	21%	0.214	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-48.6	-45.1	-167.2	-32.3	37.3	0	0	0	116.1	Y213 L214 P252 I255 Y256 I259	P211-Y213 PolarHBondContact O-N 3.33Å; P211-L214 PolarHBondContact O-N 2.92Å; P211-P252 HydrophobicContact CB-CB 4.41Å; P211-P252 HydrophobicContact CG-CB 4.39Å; P211-I255 HydrophobicContact CB-CD1 4.3Å; P211-Y256 HydrophobicContact CB-CE1 3.85Å; P211-I259 WeakPolarHBondContact O-CD1 3.46Å
212	E	98	Very high	96.1	Very high	58 Å²	58	51.7 Å²	51.7	27%	0.271	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-65.8	-24.4	-178.5	-65.8	83.2	171.2	0	0	113.1	T210 V235 P245 I255	T210-E212 VanDerWaalsContact C-N 3.33Å; T210-E212 PolarHBondContact O-N 3.02Å; T210-E212 VanDerWaalsContact O-N 3.14Å; E212-V235 WeakPolarHBondContact O-CG1 3.37Å; E212-P245 HydrophobicContact CB-CB 4.31Å; E212-P245 HydrophobicContact CG-CB 4.45Å; E212-P245 HydrophobicContact CG-CG 4.14Å; E212-I255 HydrophobicContact CG-CD1 4.2Å
213	Y	98.6	Very high	96.1	Very high	14 Å²	14	50.1 Å²	50.1	6%	0.055	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-102.3	-7.4	-173.7	-76.2	-94.3	0	0	0	113.5	L176 K177 P178 T210 P211 A215 A232 V235 L236 E239	L176-Y213 WeakPolarHBondContact O-CD1 3.39Å; L176-Y213 WeakPolarHBondContact O-CE1 3.2Å; K177-Y213 HydrophobicContact CB-CD2 4.03Å; K177-Y213 HydrophobicContact CB-CE1 4.48Å; K177-Y213 HydrophobicContact CB-CE2 3.86Å; K177-Y213 HydrophobicContact CB-CG 4.46Å; P178-Y213 WeakPolarHBondContact CD-OH 3.39Å; T210-Y213 PolarHBondContact O-N 3.48Å; P211-Y213 PolarHBondContact O-N 3.33Å; Y213-A215 PolarHBondContact O-N 2.75Å; Y213-A232 HydrophobicContact CD1-CB 4.18Å; Y213-V235 HydrophobicContact CD1-CB 3.66Å; Y213-V235 HydrophobicContact CD1-CG1 3.53Å; Y213-V235 HydrophobicContact CD2-CG1 4.11Å; Y213-V235 HydrophobicContact CE1-CB 3.73Å; Y213-V235 HydrophobicContact CE1-CG1 3.46Å; Y213-V235 VanDerWaalsContact CE1-CG1 3.46Å; Y213-V235 HydrophobicContact CE2-CG1 4Å; Y213-V235 HydrophobicContact CG-CB 4.36Å; Y213-V235 HydrophobicContact CG-CG1 3.87Å; Y213-L236 HydrophobicContact CE1-CB 4.02Å; Y213-E239 PolarHBondContact OH-OE2 2.86Å
214	L	98.4	Very high	96.2	Very high	8 Å²	8	42.8 Å²	42.8	4%	0.042	23%	0.226	C	C	.	.			trans	-64.8	135.3	-179.3	-66.1	-175.1	0	0	0	111.7	L207 C208 T210 P211 I218 I219 W231 Y256	L207-L214 HydrophobicContact CD1-CD1 4.29Å; C208-L214 WeakPolarHBondContact O-CD2 3.21Å; T210-L214 PolarHBondContact O-N 2.86Å; P211-L214 PolarHBondContact O-N 2.92Å; L214-I218 HydrophobicContact CD2-CD1 4.25Å; L214-I218 HydrophobicContact CD2-CG2 4.22Å; L214-I219 HydrophobicContact CB-CD1 4.1Å; L214-I219 HydrophobicContact CB-CG1 3.97Å; L214-I219 HydrophobicContact CD1-CG1 4.19Å; L214-W231 PolarHBondContact O-NE1 3.15Å; L214-W231 VanDerWaalsContact O-NE1 3.12Å; L214-Y256 HydrophobicContact CD1-CE1 3.83Å
215	A	98.4	Very high	96.3	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.008	23%	0.234	C	C	.	.			trans	-75.5	150.4	171.1	0	0	0	0	0	111	Y213 E217 I218 I219 V228 W231	Y213-A215 PolarHBondContact O-N 2.75Å; A215-E217 HydrophobicContact CB-CG 4.36Å; A215-E217 PolarHBondContact O-N 2.93Å; A215-E217 VanDerWaalsContact O-N 3.16Å; A215-I218 HydrophobicContact CB-CD1 4.43Å; A215-I218 HydrophobicContact CB-CG1 4.39Å; A215-I218 WeakPolarHBondContact O-CB 3.39Å; A215-I218 PolarHBondContact O-N 2.99Å; A215-I219 PolarHBondContact O-N 3Å; A215-V228 HydrophobicContact CB-CB 4.01Å; A215-V228 HydrophobicContact CB-CG1 3.83Å; A215-W231 HydrophobicContact CB-CB 4Å; A215-W231 HydrophobicContact CB-CD2 4.32Å; A215-W231 HydrophobicContact CB-CG 3.83Å
216	P	98.4	Very high	96.3	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.006	22%	0.221	C	C	.	.	H	α-helix	trans	-54.6	-37.5	-178.7	-24.4	31.1	0	0	0	113.6	I218 I219 L220 W231 I259 V284	P216-I218 VanDerWaalsContact C-N 3.33Å; P216-I218 PolarHBondContact O-N 3.29Å; P216-I219 PolarHBondContact O-N 3.31Å; P216-L220 WeakPolarHBondContact O-CB 3.41Å; P216-L220 VanDerWaalsContact O-CG 3.22Å; P216-L220 WeakPolarHBondContact O-CG 3.41Å; P216-L220 PolarHBondContact O-N 3.36Å; P216-W231 HydrophobicContact CG-CE3 4.3Å; P216-W231 HydrophobicContact CG-CH2 3.56Å; P216-W231 HydrophobicContact CG-CZ2 3.99Å; P216-W231 HydrophobicContact CG-CZ3 3.72Å; P216-I259 HydrophobicContact CB-CG2 4.3Å; P216-I259 HydrophobicContact CG-CG2 3.79Å; P216-V284 HydrophobicContact CB-CG1 4.32Å; P216-V284 HydrophobicContact CG-CG1 4.38Å; P216-V284 HydrophobicContact CG-CG2 4.13Å
217	E	98.1	Very high	96.6	Very high	11 Å²	11	38 Å²	38	5%	0.051	21%	0.207	C	C	.	.	H	α-helix	trans	-66.9	-29.8	179.2	62	-89	-154.1	0	0	113.7	A215 S221 K222 V228 R289	A215-E217 HydrophobicContact CB-CG 4.36Å; A215-E217 PolarHBondContact O-N 2.93Å; A215-E217 VanDerWaalsContact O-N 3.16Å; E217-S221 PolarHBondContact O-N 3.01Å; E217-K222 HydrophobicContact CB-CB 4.17Å; E217-K222 PolarHBondContact O-N 3.47Å; E217-K222 VanDerWaalsContact O-O 3.08Å; E217-V228 HydrophobicContact CG-CG1 4.16Å; E217-V228 WeakPolarHBondContact OE1-CG1 3.32Å; E217-R289 IonicContact OE1-CZ 3.55Å; E217-R289 IonicContact OE1-NH1 3.51Å; E217-R289 PolarHBondContact OE1-NH1 3.28Å; E217-R289 IonicContact OE1-NH2 2.9Å; E217-R289 IonicContact OE2-CZ 2.94Å; E217-R289 IonicContact OE2-NH1 3.68Å; E217-R289 IonicContact OE2-NH2 2.91Å; E217-R289 PolarHBondContact OE2-NH2 3.26Å
218	I	97.9	Very high	96.8	Very high	9 Å²	9	32.7 Å²	32.7	5%	0.046	18%	0.179	C	C	.	.	H	α-helix	trans	-68.1	-49	174	-59.8	178.7	0	0	0	109.2	L207 L214 A215 P216 L220 S221 Y224 V228	L207-I218 HydrophobicContact CD1-CG2 3.63Å; L214-I218 HydrophobicContact CD2-CD1 4.25Å; L214-I218 HydrophobicContact CD2-CG2 4.22Å; A215-I218 HydrophobicContact CB-CD1 4.43Å; A215-I218 HydrophobicContact CB-CG1 4.39Å; A215-I218 WeakPolarHBondContact O-CB 3.39Å; A215-I218 PolarHBondContact O-N 2.99Å; P216-I218 VanDerWaalsContact C-N 3.33Å; P216-I218 PolarHBondContact O-N 3.29Å; I218-L220 VanDerWaalsContact C-N 3.31Å; I218-L220 PolarHBondContact O-N 3.24Å; I218-S221 PolarHBondContact O-N 2.94Å; I218-Y224 HydrophobicContact CB-CD1 4.48Å; I218-Y224 HydrophobicContact CD1-CD2 4.47Å; I218-Y224 HydrophobicContact CD1-CE2 4.36Å; I218-Y224 HydrophobicContact CG1-CD1 3.75Å; I218-Y224 HydrophobicContact CG1-CD2 4.23Å; I218-Y224 HydrophobicContact CG1-CE1 3.95Å; I218-Y224 HydrophobicContact CG1-CE2 4.42Å; I218-Y224 HydrophobicContact CG1-CG 3.89Å; I218-Y224 HydrophobicContact CG2-CE1 4.35Å; I218-V228 HydrophobicContact CD1-CB 3.91Å; I218-V228 HydrophobicContact CD1-CG1 3.78Å; I218-V228 HydrophobicContact CD1-CG2 4.28Å; I218-V228 HydrophobicContact CG1-CB 4.5Å; I218-V228 HydrophobicContact CG1-CG1 3.82Å
219	I	97.5	Very high	97.1	Very high	33 Å²	33	32.1 Å²	32.1	17%	0.169	18%	0.175	C	C	.	.	H	α-helix	trans	-59.7	-44.2	-179.9	-63.6	167.9	0	0	0	110.6	L214 A215 P216 S221 Y256 I259 V260	L214-I219 HydrophobicContact CB-CD1 4.1Å; L214-I219 HydrophobicContact CB-CG1 3.97Å; L214-I219 HydrophobicContact CD1-CG1 4.19Å; A215-I219 PolarHBondContact O-N 3Å; P216-I219 PolarHBondContact O-N 3.31Å; I219-S221 PolarHBondContact O-N 3.44Å; I219-Y256 HydrophobicContact CD1-CD1 3.81Å; I219-Y256 HydrophobicContact CD1-CG 4.21Å; I219-Y256 HydrophobicContact CG1-CD1 4.09Å; I219-Y256 HydrophobicContact CG1-CG 4.36Å; I219-Y256 HydrophobicContact CG2-CG 4.12Å; I219-I259 HydrophobicContact CD1-CB 3.8Å; I219-I259 HydrophobicContact CD1-CD1 3.83Å; I219-I259 HydrophobicContact CD1-CG1 4.43Å; I219-I259 HydrophobicContact CD1-CG2 3.52Å; I219-V260 HydrophobicContact CB-CG2 4.36Å; I219-V260 HydrophobicContact CG2-CG2 3.88Å
220	L	96.7	Very high	97.3	Very high	81 Å²	81	31.2 Å²	31.2	42%	0.424	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	5.9	179	-65.2	173.4	0	0	0	113.4	P216 I218 K222 V260	P216-L220 WeakPolarHBondContact O-CB 3.41Å; P216-L220 VanDerWaalsContact O-CG 3.22Å; P216-L220 WeakPolarHBondContact O-CG 3.41Å; P216-L220 PolarHBondContact O-N 3.36Å; I218-L220 VanDerWaalsContact C-N 3.31Å; I218-L220 PolarHBondContact O-N 3.24Å; L220-K222 HydrophobicContact CB-CD 4.25Å; L220-K222 HydrophobicContact CB-CG 4.11Å; L220-K222 PolarHBondContact O-N 2.8Å; L220-K222 VanDerWaalsContact O-N 3.09Å; L220-V260 HydrophobicContact CD1-CG1 4.36Å; L220-V260 HydrophobicContact CD2-CG1 4.18Å; L220-V260 HydrophobicContact CD2-CG2 4.13Å; L220-V260 HydrophobicContact CG-CG2 4.11Å
221	S	95	Very high	97.5	Very high	91 Å²	91	30.1 Å²	30.1	64%	0.636	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.2	31	-178.8	-59.2	0	0	0	0	113.7	E217 I218 I219	E217-S221 PolarHBondContact O-N 3.01Å; I218-S221 PolarHBondContact O-N 2.94Å; I219-S221 PolarHBondContact O-N 3.44Å
222	K	92.7	Very high	97.6	Very high	131 Å²	131	28.9 Å²	28.9	57%	0.57	15%	0.15	S	C	*	.			trans	-88.5	112.9	173	-65.1	179.4	-178.7	178	0	106.4	E217 L220 Y224	E217-K222 HydrophobicContact CB-CB 4.17Å; E217-K222 PolarHBondContact O-N 3.47Å; E217-K222 VanDerWaalsContact O-O 3.08Å; L220-K222 HydrophobicContact CB-CD 4.25Å; L220-K222 HydrophobicContact CB-CG 4.11Å; L220-K222 PolarHBondContact O-N 2.8Å; L220-K222 VanDerWaalsContact O-N 3.09Å; K222-Y224 PolarHBondContact O-N 3.05Å
223	G	95	Very high	97.7	Very high	11 Å²	11	26.1 Å²	26.1	11%	0.113	14%	0.137	C	C	.	.			trans	-43.8	130.2	-178.6	0	0	0	0	0	112.1	R203 T204	R203-G223 WeakPolarHBondContact CD-O 3.45Å; T204-G223 CarbonylContact O-C 3.56Å; T204-G223 VanDerWaalsContact O-CA 3.28Å; T204-G223 WeakPolarHBondContact O-CA 3.35Å
224	Y	97.9	Very high	97.7	Very high	7 Å²	7	25.4 Å²	25.4	3%	0.027	13%	0.134	C	C	.	.	B	Isolated β-bridge	trans	-121.9	167.4	-163.3	63.3	-93.9	0	0	0	112.1	R174 R203 T204 T206 I218 K222 V228	R174-Y224 WeakPolarHBondContact CD-OH 3.49Å; R174-Y224 PolarHBondContact NH1-OH 2.57Å; R203-Y224 CarbonylContact C-O 3.57Å; R203-Y224 WeakPolarHBondContact CA-O 3.42Å; T204-Y224 HydrophobicContact CG2-CD2 3.86Å; T204-Y224 HydrophobicContact CG2-CE1 4.05Å; T204-Y224 HydrophobicContact CG2-CE2 3.3Å; T204-Y224 HydrophobicContact CG2-CG 4.43Å; T204-Y224 VanDerWaalsContact CG2-CZ 3.42Å; T204-Y224 PolarHBondContact N-O 3.45Å; T204-Y224 VanDerWaalsContact O-CD1 3.3Å; T204-Y224 WeakPolarHBondContact O-CD1 3.32Å; T204-Y224 PolarHBondContact O-N 3.01Å; T206-Y224 VanDerWaalsContact O-CE1 3.31Å; T206-Y224 WeakPolarHBondContact O-CE1 3.39Å; T206-Y224 PolarHBondContact O-OH 2.8Å; I218-Y224 HydrophobicContact CB-CD1 4.48Å; I218-Y224 HydrophobicContact CD1-CD2 4.47Å; I218-Y224 HydrophobicContact CD1-CE2 4.36Å; I218-Y224 HydrophobicContact CG1-CD1 3.75Å; I218-Y224 HydrophobicContact CG1-CD2 4.23Å; I218-Y224 HydrophobicContact CG1-CE1 3.95Å; I218-Y224 HydrophobicContact CG1-CE2 4.42Å; I218-Y224 HydrophobicContact CG1-CG 3.89Å; I218-Y224 HydrophobicContact CG2-CE1 4.35Å; K222-Y224 PolarHBondContact O-N 3.05Å; Y224-V228 HydrophobicContact CD2-CB 4.45Å; Y224-V228 HydrophobicContact CD2-CG1 3.63Å; Y224-V228 HydrophobicContact CD2-CG2 3.98Å; Y224-V228 HydrophobicContact CE2-CG1 4.5Å; Y224-V228 HydrophobicContact CE2-CG2 4.23Å; Y224-V228 HydrophobicContact CG-CG1 3.94Å
225	N	97.2	Very high	97.7	Very high	46 Å²	46	25 Å²	25	25%	0.246	13%	0.132	C	C	.	.			trans	-132.5	-164.6	-179.7	70.5	3.5	0	0	0	110.4	A227 V228 N292	N225-A227 PolarHBondContact O-N 3.11Å; N225-A227 WeakPolarHBondContact OD1-CB 3.33Å; N225-A227 PolarHBondContact OD1-N 3.21Å; N225-V228 WeakPolarHBondContact O-CG2 3.48Å; N225-V228 PolarHBondContact O-N 2.8Å; N225-N292 PolarHBondContact ND2-OD1 3.12Å
226	K	98	Very high	97.7	Very high	87 Å²	87	25 Å²	25	38%	0.378	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-12.1	178.3	62.4	178	173.4	-176.9	0	116.5	H167 I172 V228 D229	H167-K226 HydrophobicContact CB-CD 3.78Å; H167-K226 PolarHBondContact CE1-O 3.45Å; I172-K226 HydrophobicContact CG1-CB 4.18Å; K226-V228 PolarHBondContact O-N 2.68Å; K226-D229 PolarHBondContact O-N 3.34Å
227	A	98.3	Very high	97.7	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-63.6	-17.7	175.7	0	0	0	0	0	114	N225 W230 W231 L286 R289 N292	N225-A227 PolarHBondContact O-N 3.11Å; N225-A227 WeakPolarHBondContact OD1-CB 3.33Å; N225-A227 PolarHBondContact OD1-N 3.21Å; A227-W230 PolarHBondContact O-N 3.36Å; A227-W231 PolarHBondContact O-N 3.17Å; A227-L286 HydrophobicContact CB-CD2 4.08Å; A227-R289 PolarHBondContact O-NH1 3.48Å; A227-N292 HydrophobicContact CB-CB 3.84Å
228	V	98.6	Very high	97.8	Very high	5 Å²	5	24.8 Å²	24.8	3%	0.03	13%	0.131	C	C	.	.	H	α-helix	trans	-70.3	-33.1	175.8	-55.7	0	0	0	0	112	I172 R174 A215 E217 I218 Y224 N225 K226 W230 W231 A232	I172-V228 HydrophobicContact CG2-CG2 4Å; R174-V228 HydrophobicContact CG-CG2 4.48Å; A215-V228 HydrophobicContact CB-CB 4.01Å; A215-V228 HydrophobicContact CB-CG1 3.83Å; E217-V228 HydrophobicContact CG-CG1 4.16Å; E217-V228 WeakPolarHBondContact OE1-CG1 3.32Å; I218-V228 HydrophobicContact CD1-CB 3.91Å; I218-V228 HydrophobicContact CD1-CG1 3.78Å; I218-V228 HydrophobicContact CD1-CG2 4.28Å; I218-V228 HydrophobicContact CG1-CB 4.5Å; I218-V228 HydrophobicContact CG1-CG1 3.82Å; Y224-V228 HydrophobicContact CD2-CB 4.45Å; Y224-V228 HydrophobicContact CD2-CG1 3.63Å; Y224-V228 HydrophobicContact CD2-CG2 3.98Å; Y224-V228 HydrophobicContact CE2-CG1 4.5Å; Y224-V228 HydrophobicContact CE2-CG2 4.23Å; Y224-V228 HydrophobicContact CG-CG1 3.94Å; N225-V228 WeakPolarHBondContact O-CG2 3.48Å; N225-V228 PolarHBondContact O-N 2.8Å; K226-V228 PolarHBondContact O-N 2.68Å; V228-W230 VanDerWaalsContact C-N 3.34Å; V228-W231 WeakPolarHBondContact O-CB 3.28Å; V228-W231 PolarHBondContact O-N 3.36Å; V228-A232 PolarHBondContact O-N 2.92Å
229	D	98.8	Very high	97.8	Very high	1 Å²	1	24.6 Å²	24.6	1%	0.005	13%	0.13	C	C	.	.	H	α-helix	trans	-66.5	-39.2	175.6	-73	-17.9	0	0	0	110.2	F163 H167 I172 Y173 R174 K226 W231 A232 L233	F163-D229 HydrophobicContact CD2-CB 3.95Å; F163-D229 HydrophobicContact CE1-CB 4.31Å; F163-D229 HydrophobicContact CE2-CB 3.65Å; F163-D229 VanDerWaalsContact CE2-O 3.24Å; F163-D229 WeakPolarHBondContact CE2-O 3.39Å; F163-D229 HydrophobicContact CG-CB 4.41Å; F163-D229 HydrophobicContact CZ-CB 3.81Å; H167-D229 IonicContact CD2-OD2 2.8Å; H167-D229 IonicContact CE1-OD2 3.45Å; H167-D229 IonicContact NE2-OD2 3.12Å; H167-D229 PolarHBondContact NE2-OD2 3.39Å; I172-D229 VanDerWaalsContact CG2-OD2 3.31Å; I172-D229 WeakPolarHBondContact CG2-OD2 3.34Å; Y173-D229 PolarHBondContact N-OD1 3.39Å; Y173-D229 PolarHBondContact N-OD2 3.1Å; R174-D229 PolarHBondContact N-OD1 3.23Å; K226-D229 PolarHBondContact O-N 3.34Å; D229-W231 PolarHBondContact O-N 2.89Å; D229-A232 PolarHBondContact O-N 2.95Å; D229-L233 PolarHBondContact O-N 2.71Å
230	W	98.9	Very high	97.9	Very high	5 Å²	5	23 Å²	23	2%	0.019	12%	0.122	C	C	.	.	H	α-helix	trans	-68.2	-33.3	176	-61.1	123	0	0	0	113.2	V160 F163 H167 A227 V228 L233 G234 L281 G291 V297 I300	V160-W230 HydrophobicContact CG2-CZ3 4.33Å; F163-W230 HydrophobicContact CB-CH2 3.52Å; F163-W230 HydrophobicContact CB-CZ2 3.98Å; F163-W230 HydrophobicContact CB-CZ3 3.88Å; F163-W230 AromaticContact CD2-CE3 4Å; F163-W230 HydrophobicContact CD2-CE3 4Å; F163-W230 HydrophobicContact CD2-CH2 4.37Å; F163-W230 AromaticContact CD2-CZ3 3.9Å; F163-W230 HydrophobicContact CD2-CZ3 3.9Å; F163-W230 HydrophobicContact CG-CH2 4.49Å; F163-W230 HydrophobicContact CG-CZ3 4.42Å; H167-W230 AromaticContact CE1-CE2 3.67Å; H167-W230 AromaticContact CE1-CZ2 3.91Å; H167-W230 AromaticContact CE1-NE1 3.5Å; H167-W230 PolarHBondContact CE1-NE1 2.98Å; H167-W230 AromaticContact ND1-CE2 3.65Å; H167-W230 AromaticContact ND1-CZ2 3.63Å; H167-W230 AromaticContact ND1-NE1 3.41Å; H167-W230 PolarHBondContact ND1-NE1 3.42Å; A227-W230 PolarHBondContact O-N 3.36Å; V228-W230 VanDerWaalsContact C-N 3.34Å; W230-L233 HydrophobicContact CE3-CD2 3.74Å; W230-L233 HydrophobicContact CZ3-CD2 3.89Å; W230-L233 PolarHBondContact O-N 2.93Å; W230-G234 PolarHBondContact O-N 2.97Å; W230-L281 HydrophobicContact CB-CD2 4.41Å; W230-G291 PolarHBondContact NE1-O 2.93Å; W230-V297 HydrophobicContact CH2-CB 4.22Å; W230-V297 HydrophobicContact CH2-CG2 3.57Å; W230-V297 HydrophobicContact CZ2-CB 4.15Å; W230-V297 HydrophobicContact CZ2-CG2 4.02Å; W230-V297 HydrophobicContact CZ3-CG2 4.36Å; W230-I300 HydrophobicContact CD2-CD1 3.69Å; W230-I300 HydrophobicContact CE3-CD1 3.26Å; W230-I300 HydrophobicContact CG-CD1 4.33Å; W230-I300 HydrophobicContact CH2-CD1 4.25Å; W230-I300 HydrophobicContact CZ3-CD1 3.58Å
231	W	98.8	Very high	98	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-62.1	-49.5	168.5	173	-82.1	0	0	0	110.9	L214 A215 P216 A227 V228 D229 L233 G234 V235 F247 I259 L282 V284	L214-W231 PolarHBondContact O-NE1 3.15Å; L214-W231 VanDerWaalsContact O-NE1 3.12Å; A215-W231 HydrophobicContact CB-CB 4Å; A215-W231 HydrophobicContact CB-CD2 4.32Å; A215-W231 HydrophobicContact CB-CG 3.83Å; P216-W231 HydrophobicContact CG-CE3 4.3Å; P216-W231 HydrophobicContact CG-CH2 3.56Å; P216-W231 HydrophobicContact CG-CZ2 3.99Å; P216-W231 HydrophobicContact CG-CZ3 3.72Å; A227-W231 PolarHBondContact O-N 3.17Å; V228-W231 WeakPolarHBondContact O-CB 3.28Å; V228-W231 PolarHBondContact O-N 3.36Å; D229-W231 PolarHBondContact O-N 2.89Å; W231-L233 PolarHBondContact O-N 3.19Å; W231-G234 WeakPolarHBondContact O-CA 3.11Å; W231-G234 PolarHBondContact O-N 3.28Å; W231-V235 PolarHBondContact O-N 3.5Å; W231-F247 HydrophobicContact CH2-CE2 4.24Å; W231-F247 HydrophobicContact CH2-CZ 4.24Å; W231-F247 AromaticContact CZ2-CE2 3.58Å; W231-F247 HydrophobicContact CZ2-CE2 3.58Å; W231-F247 HydrophobicContact CZ2-CZ 4.02Å; W231-I259 HydrophobicContact CH2-CG2 4.46Å; W231-I259 HydrophobicContact CZ2-CG2 3.84Å; W231-L282 HydrophobicContact CD2-CD2 4.05Å; W231-L282 HydrophobicContact CE3-CD2 4.42Å; W231-L282 HydrophobicContact CG-CD2 4.45Å; W231-L282 HydrophobicContact CH2-CB 4.37Å; W231-L282 HydrophobicContact CZ2-CD2 4.22Å; W231-L282 HydrophobicContact CZ3-CB 4.25Å; W231-L282 WeakPolarHBondContact CZ3-O 3.2Å; W231-V284 HydrophobicContact CZ3-CG2 4.41Å
232	A	98.9	Very high	98.1	Very high	6 Å²	6	15.3 Å²	15.3	5%	0.05	8%	0.075	C	C	.	.	H	α-helix	trans	-60.5	-34.3	179.2	0	0	0	0	0	112.1	L176 Y213 V228 D229 G234 V235 L236	L176-A232 HydrophobicContact CB-CB 3.99Å; L176-A232 HydrophobicContact CD2-CB 4.27Å; Y213-A232 HydrophobicContact CD1-CB 4.18Å; V228-A232 PolarHBondContact O-N 2.92Å; D229-A232 PolarHBondContact O-N 2.95Å; A232-G234 VanDerWaalsContact C-N 3.31Å; A232-G234 PolarHBondContact O-N 2.7Å; A232-V235 WeakPolarHBondContact O-CB 3.38Å; A232-V235 PolarHBondContact O-N 3.34Å; A232-L236 PolarHBondContact O-N 3.49Å
233	L	98.9	Very high	98.4	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-59.4	-41.9	170.1	175	65.5	0	0	0	111.5	I159 V160 F163 L176 D229 W230 W231 V235 L236 I237 L281	I159-L233 HydrophobicContact CB-CD1 4Å; I159-L233 HydrophobicContact CG2-CD1 3.83Å; V160-L233 HydrophobicContact CG2-CD2 3.56Å; F163-L233 HydrophobicContact CE2-CB 4.29Å; L176-L233 HydrophobicContact CD2-CB 4.36Å; D229-L233 PolarHBondContact O-N 2.71Å; W230-L233 HydrophobicContact CE3-CD2 3.74Å; W230-L233 HydrophobicContact CZ3-CD2 3.89Å; W230-L233 PolarHBondContact O-N 2.93Å; W231-L233 PolarHBondContact O-N 3.19Å; L233-V235 VanDerWaalsContact C-N 3.33Å; L233-V235 PolarHBondContact O-N 2.89Å; L233-L236 PolarHBondContact O-N 3.45Å; L233-I237 HydrophobicContact CD1-CD1 3.84Å; L233-I237 HydrophobicContact CD1-CG1 4Å; L233-I237 HydrophobicContact CD2-CD1 4.42Å; L233-I237 HydrophobicContact CG-CD1 3.81Å; L233-I237 HydrophobicContact CG-CG1 4.35Å; L233-I237 WeakPolarHBondContact O-CB 3.23Å; L233-I237 VanDerWaalsContact O-CG1 3.26Å; L233-I237 WeakPolarHBondContact O-CG1 3.47Å; L233-I237 PolarHBondContact O-N 3.37Å; L233-L281 HydrophobicContact CD2-CD1 4.32Å; L233-L281 HydrophobicContact CG-CD1 4.28Å
234	G	98.9	Very high	98.5	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-60.1	-42.3	173.9	0	0	0	0	0	112.4	W230 W231 A232 Y238 L278	W230-G234 PolarHBondContact O-N 2.97Å; W231-G234 WeakPolarHBondContact O-CA 3.11Å; W231-G234 PolarHBondContact O-N 3.28Å; A232-G234 VanDerWaalsContact C-N 3.31Å; A232-G234 PolarHBondContact O-N 2.7Å; G234-Y238 WeakPolarHBondContact O-CB 3.25Å; G234-Y238 PolarHBondContact O-N 2.93Å; G234-L278 WeakPolarHBondContact O-CD2 3.41Å
235	V	98.9	Very high	98.5	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-63.2	-47.2	176.2	-179.1	0	0	0	0	110.2	E212 Y213 W231 A232 L233 Y238 E239 P246 L282	E212-V235 WeakPolarHBondContact O-CG1 3.37Å; Y213-V235 HydrophobicContact CD1-CB 3.66Å; Y213-V235 HydrophobicContact CD1-CG1 3.53Å; Y213-V235 HydrophobicContact CD2-CG1 4.11Å; Y213-V235 HydrophobicContact CE1-CB 3.73Å; Y213-V235 HydrophobicContact CE1-CG1 3.46Å; Y213-V235 VanDerWaalsContact CE1-CG1 3.46Å; Y213-V235 HydrophobicContact CE2-CG1 4Å; Y213-V235 HydrophobicContact CG-CB 4.36Å; Y213-V235 HydrophobicContact CG-CG1 3.87Å; W231-V235 PolarHBondContact O-N 3.5Å; A232-V235 WeakPolarHBondContact O-CB 3.38Å; A232-V235 PolarHBondContact O-N 3.34Å; L233-V235 VanDerWaalsContact C-N 3.33Å; L233-V235 PolarHBondContact O-N 2.89Å; V235-Y238 WeakPolarHBondContact O-CB 3.44Å; V235-Y238 PolarHBondContact O-N 2.98Å; V235-E239 WeakPolarHBondContact O-CB 3.42Å; V235-E239 PolarHBondContact O-N 2.72Å; V235-P246 HydrophobicContact CB-CG 4.36Å; V235-P246 HydrophobicContact CG1-CG 4.05Å; V235-P246 HydrophobicContact CG2-CG 4.22Å; V235-L282 HydrophobicContact CG2-CD2 3.68Å
236	L	98.9	Very high	98.6	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-61.1	-47.7	179.5	-177.1	68.9	0	0	0	112	M137 I159 L176 P178 L181 Y213 A232 L233 Y238 E239 M240	M137-L236 HydrophobicContact SD-CD1 4.37Å; I159-L236 HydrophobicContact CG1-CD2 3.96Å; L176-L236 HydrophobicContact CD1-CD2 4.06Å; L176-L236 HydrophobicContact CD2-CB 4.05Å; L176-L236 HydrophobicContact CD2-CD2 3.83Å; L176-L236 HydrophobicContact CG-CD2 4.04Å; P178-L236 HydrophobicContact CG-CD1 3.84Å; L181-L236 HydrophobicContact CD1-CD1 3.97Å; L181-L236 HydrophobicContact CD1-CD2 3.64Å; L181-L236 HydrophobicContact CD1-CG 4.46Å; Y213-L236 HydrophobicContact CE1-CB 4.02Å; A232-L236 PolarHBondContact O-N 3.49Å; L233-L236 PolarHBondContact O-N 3.45Å; L236-Y238 VanDerWaalsContact C-N 3.32Å; L236-Y238 PolarHBondContact O-N 3.21Å; L236-E239 PolarHBondContact O-N 2.86Å; L236-M240 HydrophobicContact CD1-CG 4.41Å; L236-M240 HydrophobicContact CD2-CE 4.38Å; L236-M240 HydrophobicContact CG-CE 4.03Å; L236-M240 HydrophobicContact CG-CG 4.45Å; L236-M240 HydrophobicContact CG-SD 4.37Å; L236-M240 WeakPolarHBondContact O-CB 3.45Å; L236-M240 WeakPolarHBondContact O-CG 3.3Å; L236-M240 PolarHBondContact O-N 3.44Å
237	I	98.9	Very high	98.6	Very high	0 Å²	0	8 Å²	8	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-61.2	-43.8	179.1	-68.5	170.6	0	0	0	110.5	A156 L233 M240 A241 L274 L277 L278 L281 W305	A156-I237 HydrophobicContact CB-CD1 3.81Å; A156-I237 HydrophobicContact CB-CG1 3.68Å; L233-I237 HydrophobicContact CD1-CD1 3.84Å; L233-I237 HydrophobicContact CD1-CG1 4Å; L233-I237 HydrophobicContact CD2-CD1 4.42Å; L233-I237 HydrophobicContact CG-CD1 3.81Å; L233-I237 HydrophobicContact CG-CG1 4.35Å; L233-I237 WeakPolarHBondContact O-CB 3.23Å; L233-I237 VanDerWaalsContact O-CG1 3.26Å; L233-I237 WeakPolarHBondContact O-CG1 3.47Å; L233-I237 PolarHBondContact O-N 3.37Å; I237-M240 HydrophobicContact CG1-CE 4.27Å; I237-A241 WeakPolarHBondContact O-CB 3.48Å; I237-A241 PolarHBondContact O-N 3.29Å; I237-A241 VanDerWaalsContact O-N 3.14Å; I237-L274 HydrophobicContact CG2-CD1 3.54Å; I237-L277 HydrophobicContact CD1-CD2 4.15Å; I237-L278 HydrophobicContact CB-CD2 3.97Å; I237-L278 HydrophobicContact CG2-CD2 3.9Å; I237-L281 HydrophobicContact CD1-CD1 4.02Å; I237-W305 HydrophobicContact CD1-CZ3 4.33Å; I237-W305 HydrophobicContact CG2-CH2 3.89Å; I237-W305 HydrophobicContact CG2-CZ2 4.36Å; I237-W305 HydrophobicContact CG2-CZ3 4.3Å
238	Y	98.9	Very high	98.5	Very high	7 Å²	7	13.2 Å²	13.2	3%	0.027	7%	0.065	C	C	.	.	H	α-helix	trans	-58.7	-51.6	175.3	-176	-68.1	0	0	0	110	G234 V235 L236 M240 A241 A242 Y244 P246 V264 K265 F266 F270 L278	G234-Y238 WeakPolarHBondContact O-CB 3.25Å; G234-Y238 PolarHBondContact O-N 2.93Å; V235-Y238 WeakPolarHBondContact O-CB 3.44Å; V235-Y238 PolarHBondContact O-N 2.98Å; L236-Y238 VanDerWaalsContact C-N 3.32Å; L236-Y238 PolarHBondContact O-N 3.21Å; Y238-M240 PolarHBondContact O-N 2.88Å; Y238-A241 PolarHBondContact O-N 2.85Å; Y238-A242 HydrophobicContact CD1-CB 3.81Å; Y238-A242 HydrophobicContact CE1-CB 3.54Å; Y238-A242 WeakPolarHBondContact O-CB 3.18Å; Y238-A242 PolarHBondContact O-N 2.69Å; Y238-Y244 VanDerWaalsContact CD1-O 3.25Å; Y238-Y244 WeakPolarHBondContact CD1-O 3.34Å; Y238-Y244 HydrophobicContact CE1-CD2 4.02Å; Y238-Y244 AromaticContact CE1-CE2 3.81Å; Y238-Y244 HydrophobicContact CE1-CE2 3.81Å; Y238-Y244 VanDerWaalsContact CE1-O 3.28Å; Y238-Y244 WeakPolarHBondContact CE1-O 3.41Å; Y238-P246 HydrophobicContact CD1-CB 3.92Å; Y238-P246 HydrophobicContact CD1-CG 4.25Å; Y238-P246 HydrophobicContact CD2-CB 3.74Å; Y238-P246 HydrophobicContact CD2-CG 4.46Å; Y238-P246 HydrophobicContact CE1-CB 4.09Å; Y238-P246 HydrophobicContact CE2-CB 3.9Å; Y238-P246 HydrophobicContact CG-CB 3.77Å; Y238-P246 HydrophobicContact CG-CG 4.08Å; Y238-V264 HydrophobicContact CD2-CG1 4.19Å; Y238-V264 HydrophobicContact CE2-CG1 3.82Å; Y238-K265 WeakPolarHBondContact CE2-O 3.45Å; Y238-K265 PolarHBondContact OH-O 3.15Å; Y238-F266 HydrophobicContact CD2-CD1 4.24Å; Y238-F266 HydrophobicContact CD2-CE1 4.32Å; Y238-F266 AromaticContact CE2-CD1 3.97Å; Y238-F266 HydrophobicContact CE2-CD1 3.97Å; Y238-F266 HydrophobicContact CE2-CE1 4.35Å; Y238-F270 AromaticContact CD2-CE2 3.93Å; Y238-F270 HydrophobicContact CD2-CE2 3.93Å; Y238-F270 HydrophobicContact CD2-CZ 4.45Å; Y238-F270 HydrophobicContact CE2-CE2 4.17Å; Y238-F270 HydrophobicContact CG-CE2 4.33Å; Y238-F270 HydrophobicContact CG-CZ 4.47Å; Y238-L278 HydrophobicContact CD2-CD1 4.03Å
239	E	98.7	Very high	98.4	Very high	6 Å²	6	14.4 Å²	14.4	3%	0.028	8%	0.075	C	C	.	.	H	α-helix	trans	-62.6	-42.7	-175.9	-176.5	161.8	-164.1	0	0	112.3	L141 R142 Y213 V235 L236 A241 G243 Y244	L141-E239 HydrophobicContact CD2-CG 4.01Å; R142-E239 IonicContact CZ-OE1 3.65Å; R142-E239 IonicContact NH2-OE1 2.73Å; R142-E239 PolarHBondContact NH2-OE1 2.88Å; Y213-E239 PolarHBondContact OH-OE2 2.86Å; V235-E239 WeakPolarHBondContact O-CB 3.42Å; V235-E239 PolarHBondContact O-N 2.72Å; L236-E239 PolarHBondContact O-N 2.86Å; E239-A241 PolarHBondContact O-N 2.81Å; E239-G243 VanDerWaalsContact O-CA 3.29Å; E239-G243 WeakPolarHBondContact O-CA 3.44Å; E239-G243 PolarHBondContact O-N 2.77Å; E239-Y244 WeakPolarHBondContact CA-O 3.49Å
240	M	98.8	Very high	98.3	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-58.7	-45.6	174.8	-72.2	-171.7	-62.8	0	0	111.9	M137 F147 S152 Y155 A156 L236 I237 Y238	M137-M240 HydrophobicContact CE-SD 3.99Å; M137-M240 HydrophobicContact SD-CG 4.06Å; M137-M240 HydrophobicContact SD-SD 3.75Å; F147-M240 HydrophobicContact CD2-CB 3.96Å; F147-M240 HydrophobicContact CD2-CG 3.98Å; F147-M240 HydrophobicContact CD2-SD 4.2Å; F147-M240 HydrophobicContact CE2-CG 4.31Å; F147-M240 HydrophobicContact CE2-SD 4.47Å; F147-M240 PolarHBondContact N-O 3.44Å; S152-M240 WeakPolarHBondContact O-CE 3.46Å; S152-M240 WeakPolarHBondContact OG-CB 3.23Å; Y155-M240 HydrophobicContact CD2-SD 4.01Å; Y155-M240 HydrophobicContact CG-SD 4.42Å; A156-M240 HydrophobicContact CB-CE 4.35Å; L236-M240 HydrophobicContact CD1-CG 4.41Å; L236-M240 HydrophobicContact CD2-CE 4.38Å; L236-M240 HydrophobicContact CG-CE 4.03Å; L236-M240 HydrophobicContact CG-CG 4.45Å; L236-M240 HydrophobicContact CG-SD 4.37Å; L236-M240 WeakPolarHBondContact O-CB 3.45Å; L236-M240 WeakPolarHBondContact O-CG 3.3Å; L236-M240 PolarHBondContact O-N 3.44Å; I237-M240 HydrophobicContact CG1-CE 4.27Å; Y238-M240 PolarHBondContact O-N 2.88Å
241	A	98.7	Very high	98.2	Very high	2 Å²	2	26.7 Å²	26.7	2%	0.017	14%	0.137	C	C	.	.	H	α-helix	trans	-81	-26	-175.6	0	0	0	0	0	114.3	I237 Y238 E239 H269 F270 L274	I237-A241 WeakPolarHBondContact O-CB 3.48Å; I237-A241 PolarHBondContact O-N 3.29Å; I237-A241 VanDerWaalsContact O-N 3.14Å; Y238-A241 PolarHBondContact O-N 2.85Å; E239-A241 PolarHBondContact O-N 2.81Å; A241-H269 PolarHBondContact O-NE2 2.93Å; A241-F270 HydrophobicContact CB-CD1 4.48Å; A241-F270 HydrophobicContact CB-CE1 3.6Å; A241-F270 HydrophobicContact CB-CZ 3.68Å; A241-L274 HydrophobicContact CB-CD2 3.86Å
242	A	98.5	Very high	98.1	Very high	7 Å²	7	29.3 Å²	29.3	6%	0.058	15%	0.154	C	C	.	.	H	α-helix	trans	-94.2	-32.8	-179.9	0	0	0	0	0	113	Y238 Y244 P267 F270	Y238-A242 HydrophobicContact CD1-CB 3.81Å; Y238-A242 HydrophobicContact CE1-CB 3.54Å; Y238-A242 WeakPolarHBondContact O-CB 3.18Å; Y238-A242 PolarHBondContact O-N 2.69Å; A242-Y244 HydrophobicContact CB-CD1 4.11Å; A242-Y244 HydrophobicContact CB-CD2 4.41Å; A242-Y244 HydrophobicContact CB-CE1 3.95Å; A242-Y244 HydrophobicContact CB-CE2 4.24Å; A242-Y244 HydrophobicContact CB-CG 4.35Å; A242-Y244 WeakPolarHBondContact O-CD1 3.33Å; A242-P267 HydrophobicContact CB-CG 3.97Å; A242-F270 HydrophobicContact CB-CE1 4.12Å; A242-F270 HydrophobicContact CB-CZ 3.84Å
243	G	97.9	Very high	98	Very high	11 Å²	11	34 Å²	34	11%	0.113	18%	0.178	C	C	.	.	S	Bend	trans	88.6	-0.3	-169.2	0	0	0	0	0	114.6	R142 G145 E239	R142-G243 PolarHBondContact NH1-O 3.43Å; G145-G243 WeakPolarHBondContact O-CA 3.28Å; E239-G243 VanDerWaalsContact O-CA 3.29Å; E239-G243 WeakPolarHBondContact O-CA 3.44Å; E239-G243 PolarHBondContact O-N 2.77Å
244	Y	97.6	Very high	97.9	Very high	90 Å²	90	37.8 Å²	37.8	35%	0.353	20%	0.195	S	C	.	.	S	Bend	trans	-151.9	151.7	-179.8	57.1	-93.7	0	0	0	109.5	Y238 E239 A242 F248	Y238-Y244 VanDerWaalsContact CD1-O 3.25Å; Y238-Y244 WeakPolarHBondContact CD1-O 3.34Å; Y238-Y244 HydrophobicContact CE1-CD2 4.02Å; Y238-Y244 AromaticContact CE1-CE2 3.81Å; Y238-Y244 HydrophobicContact CE1-CE2 3.81Å; Y238-Y244 VanDerWaalsContact CE1-O 3.28Å; Y238-Y244 WeakPolarHBondContact CE1-O 3.41Å; E239-Y244 WeakPolarHBondContact CA-O 3.49Å; A242-Y244 HydrophobicContact CB-CD1 4.11Å; A242-Y244 HydrophobicContact CB-CD2 4.41Å; A242-Y244 HydrophobicContact CB-CE1 3.95Å; A242-Y244 HydrophobicContact CB-CE2 4.24Å; A242-Y244 HydrophobicContact CB-CG 4.35Å; A242-Y244 WeakPolarHBondContact O-CD1 3.33Å; Y244-F248 HydrophobicContact CD2-CD1 4.35Å; Y244-F248 AromaticContact CD2-CE1 3.81Å; Y244-F248 HydrophobicContact CD2-CE1 3.81Å; Y244-F248 HydrophobicContact CE2-CE1 4.26Å
245	P	98.1	Very high	97.9	Very high	11 Å²	11	38 Å²	38	7%	0.071	20%	0.196	C	C	.	.			trans	-71.5	158	-177	30.2	-36	0	0	0	112.1	E212 F247 F248	E212-P245 HydrophobicContact CB-CB 4.31Å; E212-P245 HydrophobicContact CG-CB 4.45Å; E212-P245 HydrophobicContact CG-CG 4.14Å; P245-F247 PolarHBondContact O-N 3.24Å; P245-F248 HydrophobicContact CG-CB 4.03Å; P245-F248 WeakPolarHBondContact O-CD1 3.5Å
246	P	98.5	Very high	97.8	Very high	14 Å²	14	40.8 Å²	40.8	9%	0.091	21%	0.207	C	C	.	.	S	Bend	trans	-64.8	-26.1	-179.8	24.1	-32.4	0	0	0	113.5	V235 Y238 V264 L282	V235-P246 HydrophobicContact CB-CG 4.36Å; V235-P246 HydrophobicContact CG1-CG 4.05Å; V235-P246 HydrophobicContact CG2-CG 4.22Å; Y238-P246 HydrophobicContact CD1-CB 3.92Å; Y238-P246 HydrophobicContact CD1-CG 4.25Å; Y238-P246 HydrophobicContact CD2-CB 3.74Å; Y238-P246 HydrophobicContact CD2-CG 4.46Å; Y238-P246 HydrophobicContact CE1-CB 4.09Å; Y238-P246 HydrophobicContact CE2-CB 3.9Å; Y238-P246 HydrophobicContact CG-CB 3.77Å; Y238-P246 HydrophobicContact CG-CG 4.08Å; P246-V264 HydrophobicContact CB-CG1 4.16Å; P246-L282 HydrophobicContact CB-CD1 4.21Å; P246-L282 HydrophobicContact CG-CD1 4.15Å
247	F	98.2	Very high	97.8	Very high	3 Å²	3	47 Å²	47	1%	0.013	24%	0.236	C	C	.	.	S	Bend	trans	-130.5	113.2	178.9	-44	-76.1	0	0	0	108.5	W231 P245 I255 K258 I259 V264	W231-F247 HydrophobicContact CH2-CE2 4.24Å; W231-F247 HydrophobicContact CH2-CZ 4.24Å; W231-F247 AromaticContact CZ2-CE2 3.58Å; W231-F247 HydrophobicContact CZ2-CE2 3.58Å; W231-F247 HydrophobicContact CZ2-CZ 4.02Å; P245-F247 PolarHBondContact O-N 3.24Å; F247-I255 HydrophobicContact CB-CG2 4.29Å; F247-K258 HydrophobicContact CB-CB 4.3Å; F247-K258 HydrophobicContact CD1-CB 4.03Å; F247-I259 HydrophobicContact CB-CG1 3.82Å; F247-I259 HydrophobicContact CD1-CG1 4.34Å; F247-I259 HydrophobicContact CD2-CD1 4.48Å; F247-I259 HydrophobicContact CD2-CG1 3.55Å; F247-I259 HydrophobicContact CE2-CG1 4.15Å; F247-I259 HydrophobicContact CG-CG1 3.64Å; F247-V264 HydrophobicContact CE1-CG2 3.81Å; F247-V264 HydrophobicContact CE2-CG2 4.4Å; F247-V264 HydrophobicContact CZ-CG2 3.45Å; F247-V264 VanDerWaalsContact CZ-CG2 3.45Å
248	F	96.3	Very high	97.7	Very high	110 Å²	110	51.4 Å²	51.4	48%	0.482	26%	0.255	S	S	.	.			trans	-140.3	150.8	175.3	58.9	-81.9	0	0	0	110.5	Y244 P245 K258	Y244-F248 HydrophobicContact CD2-CD1 4.35Å; Y244-F248 AromaticContact CD2-CE1 3.81Å; Y244-F248 HydrophobicContact CD2-CE1 3.81Å; Y244-F248 HydrophobicContact CE2-CE1 4.26Å; P245-F248 HydrophobicContact CG-CB 4.03Å; P245-F248 WeakPolarHBondContact O-CD1 3.5Å; F248-K258 PolarHBondContact O-NZ 3.33Å
249	A	97.2	Very high	97.7	Very high	29 Å²	29	51.1 Å²	51.1	24%	0.24	25%	0.254	C	S	.	.			trans	-165.5	172.6	173.7	0	0	0	0	0	108.5	Q251 Q254 I255	A249-Q251 VanDerWaalsContact C-N 3.34Å; A249-Q254 HydrophobicContact CB-CB 3.45Å; A249-Q254 VanDerWaalsContact CB-CB 3.45Å; A249-I255 HydrophobicContact CB-CG1 3.86Å
250	D	96.1	Very high	97.7	Very high	151 Å²	151	53.4 Å²	53.4	81%	0.807	27%	0.269	S	S	*	.	S	Bend	trans	-74.4	-27.3	-177.4	-56.7	-38.2	0	0	0	112.6
251	Q	96.7	Very high	97.6	Very high	114 Å²	114	56.5 Å²	56.5	53%	0.533	29%	0.29	S	S	.	.	S	Bend	trans	-120.7	139	-178.6	-63.1	-61	-42.1	0	0	111.4	A249 I253 Q254 I255	A249-Q251 VanDerWaalsContact C-N 3.34Å; Q251-I253 HydrophobicContact CB-CG2 4.2Å; Q251-I253 PolarHBondContact O-N 3.4Å; Q251-I253 VanDerWaalsContact O-N 3.1Å; Q251-Q254 HydrophobicContact CB-CG 4.36Å; Q251-Q254 WeakPolarHBondContact O-CB 3.24Å; Q251-Q254 PolarHBondContact O-N 3.03Å; Q251-I255 PolarHBondContact O-N 3.29Å
252	P	96.2	Very high	97.3	Very high	55 Å²	55	57.7 Å²	57.7	36%	0.357	30%	0.302	S	S	.	.	H	α-helix	trans	-52.7	-37.1	-179.8	-29.7	35.4	0	0	0	114.1	P211 Q254 I255 Y256	P211-P252 HydrophobicContact CB-CB 4.41Å; P211-P252 HydrophobicContact CG-CB 4.39Å; P252-Q254 VanDerWaalsContact C-N 3.29Å; P252-Q254 PolarHBondContact O-N 3.49Å; P252-I255 WeakPolarHBondContact O-CB 2.99Å; P252-I255 PolarHBondContact O-N 3.11Å; P252-I255 VanDerWaalsContact O-N 3.12Å; P252-Y256 HydrophobicContact CB-CE1 4.42Å; P252-Y256 HydrophobicContact CB-CE2 4.16Å; P252-Y256 VanDerWaalsContact O-CD1 3.28Å; P252-Y256 WeakPolarHBondContact O-CD1 3.48Å; P252-Y256 WeakPolarHBondContact O-CD2 3.37Å; P252-Y256 PolarHBondContact O-N 3.43Å
253	I	96.7	Very high	97.2	Very high	105 Å²	105	65.6 Å²	65.6	54%	0.538	34%	0.336	S	S	.	.	H	α-helix	trans	-61	-37.4	179.6	-167.3	61.5	0	0	0	112.8	Q251 Y256 E257	Q251-I253 HydrophobicContact CB-CG2 4.2Å; Q251-I253 PolarHBondContact O-N 3.4Å; Q251-I253 VanDerWaalsContact O-N 3.1Å; I253-Y256 HydrophobicContact CD1-CD2 4.28Å; I253-Y256 WeakPolarHBondContact O-CB 3.48Å; I253-Y256 PolarHBondContact O-N 3.2Å; I253-E257 WeakPolarHBondContact O-CG 3.44Å; I253-E257 PolarHBondContact O-N 2.85Å
254	Q	98	Very high	97.2	Very high	78 Å²	78	66.5 Å²	66.5	36%	0.364	34%	0.339	S	S	.	.	H	α-helix	trans	-72.4	-33.2	178	-62.8	170.8	-35.3	0	0	111.2	A249 Q251 P252 Y256 K258	A249-Q254 HydrophobicContact CB-CB 3.45Å; A249-Q254 VanDerWaalsContact CB-CB 3.45Å; Q251-Q254 HydrophobicContact CB-CG 4.36Å; Q251-Q254 WeakPolarHBondContact O-CB 3.24Å; Q251-Q254 PolarHBondContact O-N 3.03Å; P252-Q254 VanDerWaalsContact C-N 3.29Å; P252-Q254 PolarHBondContact O-N 3.49Å; Q254-Y256 VanDerWaalsContact C-N 3.33Å; Q254-K258 WeakPolarHBondContact O-CG 3.42Å; Q254-K258 PolarHBondContact O-N 2.81Å
255	I	98.1	Very high	97.1	Very high	4 Å²	4	70.8 Å²	70.8	2%	0.021	36%	0.359	C	S	.	.	H	α-helix	trans	-63	-45.2	172.1	-57	177.3	0	0	0	109.1	P211 E212 F247 A249 Q251 P252 E257 K258 I259	P211-I255 HydrophobicContact CB-CD1 4.3Å; E212-I255 HydrophobicContact CG-CD1 4.2Å; F247-I255 HydrophobicContact CB-CG2 4.29Å; A249-I255 HydrophobicContact CB-CG1 3.86Å; Q251-I255 PolarHBondContact O-N 3.29Å; P252-I255 WeakPolarHBondContact O-CB 2.99Å; P252-I255 PolarHBondContact O-N 3.11Å; P252-I255 VanDerWaalsContact O-N 3.12Å; I255-E257 PolarHBondContact O-N 3.5Å; I255-K258 WeakPolarHBondContact O-CB 3.47Å; I255-K258 PolarHBondContact O-N 2.82Å; I255-K258 VanDerWaalsContact O-N 3.17Å; I255-I259 HydrophobicContact CG2-CD1 3.78Å; I255-I259 HydrophobicContact CG2-CG1 4.4Å; I255-I259 WeakPolarHBondContact O-CG1 3.47Å; I255-I259 PolarHBondContact O-N 3.45Å
256	Y	98	Very high	97.2	Very high	60 Å²	60	72.8 Å²	72.8	24%	0.235	37%	0.367	C	S	.	.	H	α-helix	trans	-61.5	-43.6	179.6	-59	-18.4	0	0	0	112.7	P211 L214 I219 P252 I253 Q254 K258 I259 V260	P211-Y256 HydrophobicContact CB-CE1 3.85Å; L214-Y256 HydrophobicContact CD1-CE1 3.83Å; I219-Y256 HydrophobicContact CD1-CD1 3.81Å; I219-Y256 HydrophobicContact CD1-CG 4.21Å; I219-Y256 HydrophobicContact CG1-CD1 4.09Å; I219-Y256 HydrophobicContact CG1-CG 4.36Å; I219-Y256 HydrophobicContact CG2-CG 4.12Å; P252-Y256 HydrophobicContact CB-CE1 4.42Å; P252-Y256 HydrophobicContact CB-CE2 4.16Å; P252-Y256 VanDerWaalsContact O-CD1 3.28Å; P252-Y256 WeakPolarHBondContact O-CD1 3.48Å; P252-Y256 WeakPolarHBondContact O-CD2 3.37Å; P252-Y256 PolarHBondContact O-N 3.43Å; I253-Y256 HydrophobicContact CD1-CD2 4.28Å; I253-Y256 WeakPolarHBondContact O-CB 3.48Å; I253-Y256 PolarHBondContact O-N 3.2Å; Q254-Y256 VanDerWaalsContact C-N 3.33Å; Y256-K258 VanDerWaalsContact C-N 3.31Å; Y256-K258 PolarHBondContact O-N 3.19Å; Y256-I259 PolarHBondContact O-N 2.91Å; Y256-V260 WeakPolarHBondContact O-CB 3.43Å; Y256-V260 WeakPolarHBondContact O-CG2 3.47Å; Y256-V260 PolarHBondContact O-N 3.15Å
257	E	97.8	Very high	97.2	Very high	129 Å²	129	72.7 Å²	72.7	60%	0.603	37%	0.366	S	S	*	.	H	α-helix	trans	-57.4	-43.7	174.3	-72.3	172.9	174.3	0	0	111.9	I253 I255 S261	I253-E257 WeakPolarHBondContact O-CG 3.44Å; I253-E257 PolarHBondContact O-N 2.85Å; I255-E257 PolarHBondContact O-N 3.5Å; E257-S261 WeakPolarHBondContact O-CB 3.35Å; E257-S261 PolarHBondContact O-N 2.96Å
258	K	98.1	Very high	97.2	Very high	94 Å²	94	78 Å²	78	41%	0.409	40%	0.404	S	S	.	.	H	α-helix	trans	-65	-44.8	177.4	-71	178.6	-177.6	-175.1	0	112	F247 F248 Q254 I255 Y256 S261 G262	F247-K258 HydrophobicContact CB-CB 4.3Å; F247-K258 HydrophobicContact CD1-CB 4.03Å; F248-K258 PolarHBondContact O-NZ 3.33Å; Q254-K258 WeakPolarHBondContact O-CG 3.42Å; Q254-K258 PolarHBondContact O-N 2.81Å; I255-K258 WeakPolarHBondContact O-CB 3.47Å; I255-K258 PolarHBondContact O-N 2.82Å; I255-K258 VanDerWaalsContact O-N 3.17Å; Y256-K258 VanDerWaalsContact C-N 3.31Å; Y256-K258 PolarHBondContact O-N 3.19Å; K258-S261 WeakPolarHBondContact O-CB 3.46Å; K258-S261 PolarHBondContact O-N 2.88Å; K258-S261 PolarHBondContact O-OG 2.96Å; K258-G262 PolarHBondContact O-N 3.1Å
259	I	98.3	Very high	97.2	Very high	0 Å²	0	76.5 Å²	76.5	0%	0	40%	0.398	C	S	.	.	H	α-helix	trans	-59.6	-50.4	177.6	-71.4	166.9	0	0	0	110.6	P211 P216 I219 W231 F247 I255 Y256 S261 G262	P211-I259 WeakPolarHBondContact O-CD1 3.46Å; P216-I259 HydrophobicContact CB-CG2 4.3Å; P216-I259 HydrophobicContact CG-CG2 3.79Å; I219-I259 HydrophobicContact CD1-CB 3.8Å; I219-I259 HydrophobicContact CD1-CD1 3.83Å; I219-I259 HydrophobicContact CD1-CG1 4.43Å; I219-I259 HydrophobicContact CD1-CG2 3.52Å; W231-I259 HydrophobicContact CH2-CG2 4.46Å; W231-I259 HydrophobicContact CZ2-CG2 3.84Å; F247-I259 HydrophobicContact CB-CG1 3.82Å; F247-I259 HydrophobicContact CD1-CG1 4.34Å; F247-I259 HydrophobicContact CD2-CD1 4.48Å; F247-I259 HydrophobicContact CD2-CG1 3.55Å; F247-I259 HydrophobicContact CE2-CG1 4.15Å; F247-I259 HydrophobicContact CG-CG1 3.64Å; I255-I259 HydrophobicContact CG2-CD1 3.78Å; I255-I259 HydrophobicContact CG2-CG1 4.4Å; I255-I259 WeakPolarHBondContact O-CG1 3.47Å; I255-I259 PolarHBondContact O-N 3.45Å; Y256-I259 PolarHBondContact O-N 2.91Å; I259-S261 PolarHBondContact O-N 3.33Å; I259-G262 PolarHBondContact O-N 3.12Å
260	V	97.5	Very high	97.3	Very high	55 Å²	55	75.4 Å²	75.4	33%	0.333	39%	0.388	S	S	.	.	H	α-helix	trans	-64.6	-30.7	-178.8	173.2	0	0	0	0	111.8	I219 L220 Y256 G262	I219-V260 HydrophobicContact CB-CG2 4.36Å; I219-V260 HydrophobicContact CG2-CG2 3.88Å; L220-V260 HydrophobicContact CD1-CG1 4.36Å; L220-V260 HydrophobicContact CD2-CG1 4.18Å; L220-V260 HydrophobicContact CD2-CG2 4.13Å; L220-V260 HydrophobicContact CG-CG2 4.11Å; Y256-V260 WeakPolarHBondContact O-CB 3.43Å; Y256-V260 WeakPolarHBondContact O-CG2 3.47Å; Y256-V260 PolarHBondContact O-N 3.15Å; V260-G262 PolarHBondContact O-N 2.86Å
261	S	96.7	Very high	97.4	Very high	64 Å²	64	69.7 Å²	69.7	45%	0.448	36%	0.36	S	S	.	.	H	α-helix	trans	-64.2	-23.5	174.5	84.7	0	0	0	0	113.7	E257 K258 I259 K263	E257-S261 WeakPolarHBondContact O-CB 3.35Å; E257-S261 PolarHBondContact O-N 2.96Å; K258-S261 WeakPolarHBondContact O-CB 3.46Å; K258-S261 PolarHBondContact O-N 2.88Å; K258-S261 PolarHBondContact O-OG 2.96Å; I259-S261 PolarHBondContact O-N 3.33Å; S261-K263 PolarHBondContact O-N 2.9Å; S261-K263 VanDerWaalsContact O-N 3.17Å; S261-K263 PolarHBondContact OG-N 3.39Å
262	G	93.8	Very high	97.5	Very high	27 Å²	27	70.1 Å²	70.1	28%	0.278	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.8	7.7	-178.7	0	0	0	0	0	115.3	K258 I259 V260 V264	K258-G262 PolarHBondContact O-N 3.1Å; I259-G262 PolarHBondContact O-N 3.12Å; V260-G262 PolarHBondContact O-N 2.86Å; G262-V264 PolarHBondContact O-N 3.09Å
263	K	95.4	Very high	97.7	Very high	174 Å²	174	71.5 Å²	71.5	76%	0.757	37%	0.368	S	S	*	.			trans	-89	97	-175.9	-66.1	-179.6	-175.9	176.1	0	111.2	S261	S261-K263 PolarHBondContact O-N 2.9Å; S261-K263 VanDerWaalsContact O-N 3.17Å; S261-K263 PolarHBondContact OG-N 3.39Å
264	V	97.4	Very high	97.8	Very high	30 Å²	30	66.5 Å²	66.5	18%	0.182	34%	0.342	C	S	.	.			trans	-93.2	127.2	175.6	-174.6	0	0	0	0	110.6	Y238 P246 F247 G262 F266 L282	Y238-V264 HydrophobicContact CD2-CG1 4.19Å; Y238-V264 HydrophobicContact CE2-CG1 3.82Å; P246-V264 HydrophobicContact CB-CG1 4.16Å; F247-V264 HydrophobicContact CE1-CG2 3.81Å; F247-V264 HydrophobicContact CE2-CG2 4.4Å; F247-V264 HydrophobicContact CZ-CG2 3.45Å; F247-V264 VanDerWaalsContact CZ-CG2 3.45Å; G262-V264 PolarHBondContact O-N 3.09Å; V264-F266 HydrophobicContact CB-CE1 4.45Å; V264-F266 HydrophobicContact CB-CE2 4.4Å; V264-F266 HydrophobicContact CB-CZ 4.03Å; V264-F266 HydrophobicContact CG1-CD1 4.14Å; V264-F266 HydrophobicContact CG1-CE1 3.61Å; V264-F266 HydrophobicContact CG1-CE2 4.27Å; V264-F266 HydrophobicContact CG1-CZ 3.69Å; V264-L282 HydrophobicContact CG1-CD1 4.26Å; V264-L282 HydrophobicContact CG2-CB 4.28Å; V264-L282 HydrophobicContact CG2-CD1 3.98Å
265	K	97.2	Very high	97.8	Very high	180 Å²	180	64.9 Å²	64.9	78%	0.783	33%	0.334	S	S	*	.			trans	-97.1	133.7	168.4	-67.7	-175.5	-178.9	-179.9	0	109.4	Y238	Y238-K265 WeakPolarHBondContact CE2-O 3.45Å; Y238-K265 PolarHBondContact OH-O 3.15Å
266	F	98.5	Very high	97.8	Very high	53 Å²	53	68.3 Å²	68.3	23%	0.232	35%	0.352	C	S	.	.			trans	-104.2	140.1	-179.4	-60.2	-74.6	0	0	0	111.3	Y238 V264 F270 K275 L278 K279	Y238-F266 HydrophobicContact CD2-CD1 4.24Å; Y238-F266 HydrophobicContact CD2-CE1 4.32Å; Y238-F266 AromaticContact CE2-CD1 3.97Å; Y238-F266 HydrophobicContact CE2-CD1 3.97Å; Y238-F266 HydrophobicContact CE2-CE1 4.35Å; V264-F266 HydrophobicContact CB-CE1 4.45Å; V264-F266 HydrophobicContact CB-CE2 4.4Å; V264-F266 HydrophobicContact CB-CZ 4.03Å; V264-F266 HydrophobicContact CG1-CD1 4.14Å; V264-F266 HydrophobicContact CG1-CE1 3.61Å; V264-F266 HydrophobicContact CG1-CE2 4.27Å; V264-F266 HydrophobicContact CG1-CZ 3.69Å; F266-F270 HydrophobicContact CB-CD2 4.31Å; F266-F270 AromaticContact CD1-CD2 3.94Å; F266-F270 HydrophobicContact CD1-CD2 3.94Å; F266-F270 HydrophobicContact CD1-CE2 4.21Å; F266-K275 HydrophobicContact CB-CD 4.23Å; F266-K275 HydrophobicContact CB-CG 3.99Å; F266-K275 HydrophobicContact CD1-CG 4.2Å; F266-K275 HydrophobicContact CD2-CG 4.26Å; F266-K275 HydrophobicContact CG-CD 4.49Å; F266-K275 HydrophobicContact CG-CG 3.88Å; F266-L278 HydrophobicContact CD1-CD1 4.21Å; F266-L278 HydrophobicContact CE1-CB 3.73Å; F266-L278 HydrophobicContact CE1-CD1 3.91Å; F266-L278 HydrophobicContact CZ-CB 4.28Å; F266-K279 HydrophobicContact CE2-CG 4Å; F266-K279 HydrophobicContact CZ-CG 3.9Å
267	P	98.4	Very high	97.9	Very high	11 Å²	11	65.4 Å²	65.4	7%	0.071	34%	0.341	C	S	.	.			trans	-56.4	149.7	168.6	-22.8	32.7	0	0	0	112.3	A242 H269 F270	A242-P267 HydrophobicContact CB-CG 3.97Å; P267-H269 WeakPolarHBondContact CB-CE1 3.48Å; P267-H269 PolarHBondContact O-N 2.92Å; P267-F270 HydrophobicContact CB-CD1 3.92Å; P267-F270 HydrophobicContact CB-CE1 4.11Å; P267-F270 HydrophobicContact CB-CG 4.43Å; P267-F270 HydrophobicContact CG-CD1 3.89Å; P267-F270 HydrophobicContact CG-CE1 3.62Å; P267-F270 HydrophobicContact CG-CE2 4.35Å; P267-F270 HydrophobicContact CG-CG 4.38Å; P267-F270 HydrophobicContact CG-CZ 3.88Å; P267-F270 PolarHBondContact O-N 3.37Å
268	S	97.9	Very high	97.9	Very high	116 Å²	116	59.3 Å²	59.3	81%	0.811	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-35.6	179.6	53.5	0	0	0	0	112.1	F270	S268-F270 VanDerWaalsContact C-N 3.27Å; S268-F270 PolarHBondContact O-N 3.3Å
269	H	98.3	Very high	98	Very high	78 Å²	78	60.4 Å²	60.4	36%	0.361	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-6.3	-178.7	64.4	-101.2	0	0	0	115.1	R146 A241 P267	R146-H269 PolarHBondContact NH1-CD2 3.27Å; R146-H269 PolarHBondContact NH1-CE1 2.73Å; R146-H269 PolarHBondContact NH1-NE2 3.08Å; A241-H269 PolarHBondContact O-NE2 2.93Å; P267-H269 WeakPolarHBondContact CB-CE1 3.48Å; P267-H269 PolarHBondContact O-N 2.92Å
270	F	98.7	Very high	98	Very high	5 Å²	5	61.9 Å²	61.9	2%	0.022	33%	0.325	C	S	.	.	S	Bend	trans	-70.5	133.1	175	-82.6	20.2	0	0	0	110.4	Y238 A241 A242 F266 P267 S268 L274 K275 L278	Y238-F270 AromaticContact CD2-CE2 3.93Å; Y238-F270 HydrophobicContact CD2-CE2 3.93Å; Y238-F270 HydrophobicContact CD2-CZ 4.45Å; Y238-F270 HydrophobicContact CE2-CE2 4.17Å; Y238-F270 HydrophobicContact CG-CE2 4.33Å; Y238-F270 HydrophobicContact CG-CZ 4.47Å; A241-F270 HydrophobicContact CB-CD1 4.48Å; A241-F270 HydrophobicContact CB-CE1 3.6Å; A241-F270 HydrophobicContact CB-CZ 3.68Å; A242-F270 HydrophobicContact CB-CE1 4.12Å; A242-F270 HydrophobicContact CB-CZ 3.84Å; F266-F270 HydrophobicContact CB-CD2 4.31Å; F266-F270 AromaticContact CD1-CD2 3.94Å; F266-F270 HydrophobicContact CD1-CD2 3.94Å; F266-F270 HydrophobicContact CD1-CE2 4.21Å; P267-F270 HydrophobicContact CB-CD1 3.92Å; P267-F270 HydrophobicContact CB-CE1 4.11Å; P267-F270 HydrophobicContact CB-CG 4.43Å; P267-F270 HydrophobicContact CG-CD1 3.89Å; P267-F270 HydrophobicContact CG-CE1 3.62Å; P267-F270 HydrophobicContact CG-CE2 4.35Å; P267-F270 HydrophobicContact CG-CG 4.38Å; P267-F270 HydrophobicContact CG-CZ 3.88Å; P267-F270 PolarHBondContact O-N 3.37Å; S268-F270 VanDerWaalsContact C-N 3.27Å; S268-F270 PolarHBondContact O-N 3.3Å; F270-L274 HydrophobicContact CB-CD2 4.19Å; F270-L274 HydrophobicContact CD1-CD2 3.89Å; F270-L274 HydrophobicContact CD2-CD2 3.61Å; F270-L274 HydrophobicContact CD2-CG 3.89Å; F270-L274 HydrophobicContact CE1-CD2 4.11Å; F270-L274 HydrophobicContact CE2-CD2 3.87Å; F270-L274 HydrophobicContact CE2-CG 4.28Å; F270-L274 HydrophobicContact CG-CD2 3.63Å; F270-L274 HydrophobicContact CG-CG 4.25Å; F270-L274 HydrophobicContact CZ-CD2 4.1Å; F270-K275 HydrophobicContact CB-CD 4.33Å; F270-K275 HydrophobicContact CB-CG 3.9Å; F270-K275 HydrophobicContact CD2-CG 4.48Å; F270-K275 WeakPolarHBondContact O-CE 3.37Å; F270-K275 PolarHBondContact O-NZ 2.86Å; F270-L278 HydrophobicContact CD2-CD1 3.95Å; F270-L278 HydrophobicContact CE2-CD1 3.54Å
271	S	98.7	Very high	98	Very high	32 Å²	32	59.3 Å²	59.3	22%	0.224	31%	0.309	C	S	.	.			trans	-60	158.7	170.7	68.8	0	0	0	0	111.7	E149 E273 L274 K275	E149-S271 WeakPolarHBondContact OE1-CB 3.3Å; E149-S271 PolarHBondContact OE1-N 3.44Å; E149-S271 PolarHBondContact OE1-OG 3.28Å; E149-S271 WeakPolarHBondContact OE2-CB 3.31Å; E149-S271 PolarHBondContact OE2-OG 3.04Å; S271-E273 VanDerWaalsContact C-N 3.27Å; S271-E273 PolarHBondContact O-N 2.66Å; S271-L274 PolarHBondContact O-N 3.1Å; S271-L274 VanDerWaalsContact OG-CB 3.23Å; S271-L274 WeakPolarHBondContact OG-CB 3.39Å; S271-L274 PolarHBondContact OG-N 2.98Å; S271-K275 WeakPolarHBondContact O-CG 3.21Å; S271-K275 PolarHBondContact O-N 2.81Å
272	N	98.7	Very high	98.1	Very high	122 Å²	122	56.7 Å²	56.7	65%	0.652	29%	0.29	S	S	*	.	H	α-helix	trans	-66.1	-37.2	177.3	-71.8	-31	0	0	0	110.8	K275 D276	N272-K275 PolarHBondContact O-N 3.39Å; N272-D276 WeakPolarHBondContact O-CB 3.39Å; N272-D276 PolarHBondContact O-N 3.44Å
273	E	98.7	Very high	98.4	Very high	85 Å²	85	58 Å²	58	40%	0.397	29%	0.289	S	S	.	.	H	α-helix	trans	-63.3	-43.3	176.2	-63.9	70.5	-156.9	0	0	111	S271 D276 L277 H303 K304 W305	S271-E273 VanDerWaalsContact C-N 3.27Å; S271-E273 PolarHBondContact O-N 2.66Å; E273-D276 PolarHBondContact O-N 2.8Å; E273-L277 PolarHBondContact O-N 3.46Å; E273-H303 PolarHBondContact O-CE1 3.26Å; E273-K304 HydrophobicContact CG-CB 4.02Å; E273-W305 HydrophobicContact CB-CB 4Å; E273-W305 HydrophobicContact CB-CG 4.46Å
274	L	98.9	Very high	98.5	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-63.7	-46.9	176.1	177.8	54.9	0	0	0	111.3	E149 I237 A241 F270 S271 D276 L277 L278 W305	E149-L274 HydrophobicContact CG-CD2 3.86Å; I237-L274 HydrophobicContact CG2-CD1 3.54Å; A241-L274 HydrophobicContact CB-CD2 3.86Å; F270-L274 HydrophobicContact CB-CD2 4.19Å; F270-L274 HydrophobicContact CD1-CD2 3.89Å; F270-L274 HydrophobicContact CD2-CD2 3.61Å; F270-L274 HydrophobicContact CD2-CG 3.89Å; F270-L274 HydrophobicContact CE1-CD2 4.11Å; F270-L274 HydrophobicContact CE2-CD2 3.87Å; F270-L274 HydrophobicContact CE2-CG 4.28Å; F270-L274 HydrophobicContact CG-CD2 3.63Å; F270-L274 HydrophobicContact CG-CG 4.25Å; F270-L274 HydrophobicContact CZ-CD2 4.1Å; S271-L274 PolarHBondContact O-N 3.1Å; S271-L274 VanDerWaalsContact OG-CB 3.23Å; S271-L274 WeakPolarHBondContact OG-CB 3.39Å; S271-L274 PolarHBondContact OG-N 2.98Å; L274-D276 VanDerWaalsContact C-N 3.26Å; L274-D276 PolarHBondContact O-N 2.89Å; L274-L277 PolarHBondContact O-N 3.48Å; L274-L278 HydrophobicContact CD1-CD1 3.75Å; L274-L278 HydrophobicContact CD1-CD2 4.49Å; L274-L278 HydrophobicContact CD1-CG 3.86Å; L274-L278 HydrophobicContact CG-CD1 3.85Å; L274-L278 HydrophobicContact CG-CG 4.37Å; L274-L278 WeakPolarHBondContact O-CB 3.4Å; L274-L278 VanDerWaalsContact O-CG 3.28Å; L274-L278 WeakPolarHBondContact O-CG 3.49Å; L274-L278 PolarHBondContact O-N 2.83Å; L274-W305 HydrophobicContact CB-CG 4.5Å; L274-W305 HydrophobicContact CD1-CD2 4.28Å; L274-W305 HydrophobicContact CD1-CZ2 3.89Å
275	K	98.8	Very high	98.5	Very high	44 Å²	44	53.6 Å²	53.6	19%	0.191	28%	0.275	C	S	.	.	H	α-helix	trans	-58.4	-41.1	177.3	-70.5	170.7	-173.4	158.5	0	111.3	F266 F270 S271 N272 K279	F266-K275 HydrophobicContact CB-CD 4.23Å; F266-K275 HydrophobicContact CB-CG 3.99Å; F266-K275 HydrophobicContact CD1-CG 4.2Å; F266-K275 HydrophobicContact CD2-CG 4.26Å; F266-K275 HydrophobicContact CG-CD 4.49Å; F266-K275 HydrophobicContact CG-CG 3.88Å; F270-K275 HydrophobicContact CB-CD 4.33Å; F270-K275 HydrophobicContact CB-CG 3.9Å; F270-K275 HydrophobicContact CD2-CG 4.48Å; F270-K275 WeakPolarHBondContact O-CE 3.37Å; F270-K275 PolarHBondContact O-NZ 2.86Å; S271-K275 WeakPolarHBondContact O-CG 3.21Å; S271-K275 PolarHBondContact O-N 2.81Å; N272-K275 PolarHBondContact O-N 3.39Å; K275-K279 WeakPolarHBondContact O-CB 3.39Å; K275-K279 VanDerWaalsContact O-CG 3.22Å; K275-K279 WeakPolarHBondContact O-CG 3.4Å; K275-K279 PolarHBondContact O-N 3.42Å
276	D	98.8	Very high	98.5	Very high	75 Å²	75	47.9 Å²	47.9	40%	0.401	25%	0.253	S	S	.	.	H	α-helix	trans	-66.5	-46.6	179.1	-165.2	55	0	0	0	111.9	N272 E273 L274 L278 K279 N280 H303	N272-D276 WeakPolarHBondContact O-CB 3.39Å; N272-D276 PolarHBondContact O-N 3.44Å; E273-D276 PolarHBondContact O-N 2.8Å; L274-D276 VanDerWaalsContact C-N 3.26Å; L274-D276 PolarHBondContact O-N 2.89Å; D276-L278 VanDerWaalsContact C-N 3.34Å; D276-L278 PolarHBondContact O-N 3Å; D276-K279 PolarHBondContact O-N 3.39Å; D276-N280 PolarHBondContact O-N 3.42Å; D276-N280 PolarHBondContact O-ND2 3.02Å; D276-H303 IonicContact OD2-NE2 3.75Å; D276-H303 PolarHBondContact OD2-NE2 3.45Å
277	L	98.9	Very high	98.5	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-56.6	-49.5	174.5	179	61.1	0	0	0	111.2	I237 E273 L274 K279 N280 L281 Y290 I300 H303 W305 F306	I237-L277 HydrophobicContact CD1-CD2 4.15Å; E273-L277 PolarHBondContact O-N 3.46Å; L274-L277 PolarHBondContact O-N 3.48Å; L277-K279 VanDerWaalsContact C-N 3.34Å; L277-K279 PolarHBondContact O-N 3.19Å; L277-N280 PolarHBondContact O-N 3.38Å; L277-L281 HydrophobicContact CD1-CD1 3.97Å; L277-L281 HydrophobicContact CD1-CG 4.19Å; L277-L281 HydrophobicContact CD2-CD1 4.41Å; L277-L281 HydrophobicContact CG-CD1 3.88Å; L277-L281 HydrophobicContact CG-CG 4.44Å; L277-L281 PolarHBondContact O-N 3.47Å; L277-Y290 HydrophobicContact CD1-CD2 4.45Å; L277-I300 HydrophobicContact CD1-CG2 4.5Å; L277-H303 HydrophobicContact CD1-CB 4.18Å; L277-W305 HydrophobicContact CB-CB 4.35Å; L277-W305 HydrophobicContact CD2-CB 4.17Å; L277-W305 HydrophobicContact CD2-CD2 3.96Å; L277-W305 HydrophobicContact CD2-CE3 3.41Å; L277-W305 VanDerWaalsContact CD2-CE3 3.41Å; L277-W305 HydrophobicContact CD2-CG 4.29Å; L277-W305 HydrophobicContact CD2-CZ3 4.05Å; L277-F306 HydrophobicContact CD2-CD2 4.21Å; L277-F306 HydrophobicContact CD2-CE2 3.7Å; L277-F306 HydrophobicContact CD2-CZ 4.5Å
278	L	98.9	Very high	98.5	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-64.6	-36.7	-177.5	-70.2	175.2	0	0	0	112.4	G234 I237 Y238 F266 F270 L274 D276 N280 L281 L282	G234-L278 WeakPolarHBondContact O-CD2 3.41Å; I237-L278 HydrophobicContact CB-CD2 3.97Å; I237-L278 HydrophobicContact CG2-CD2 3.9Å; Y238-L278 HydrophobicContact CD2-CD1 4.03Å; F266-L278 HydrophobicContact CD1-CD1 4.21Å; F266-L278 HydrophobicContact CE1-CB 3.73Å; F266-L278 HydrophobicContact CE1-CD1 3.91Å; F266-L278 HydrophobicContact CZ-CB 4.28Å; F270-L278 HydrophobicContact CD2-CD1 3.95Å; F270-L278 HydrophobicContact CE2-CD1 3.54Å; L274-L278 HydrophobicContact CD1-CD1 3.75Å; L274-L278 HydrophobicContact CD1-CD2 4.49Å; L274-L278 HydrophobicContact CD1-CG 3.86Å; L274-L278 HydrophobicContact CG-CD1 3.85Å; L274-L278 HydrophobicContact CG-CG 4.37Å; L274-L278 WeakPolarHBondContact O-CB 3.4Å; L274-L278 VanDerWaalsContact O-CG 3.28Å; L274-L278 WeakPolarHBondContact O-CG 3.49Å; L274-L278 PolarHBondContact O-N 2.83Å; D276-L278 VanDerWaalsContact C-N 3.34Å; D276-L278 PolarHBondContact O-N 3Å; L278-N280 PolarHBondContact O-N 3.44Å; L278-L281 PolarHBondContact O-N 3.05Å; L278-L282 WeakPolarHBondContact O-CA 3.37Å; L278-L282 VanDerWaalsContact O-CB 3.24Å; L278-L282 WeakPolarHBondContact O-CB 3.33Å; L278-L282 PolarHBondContact O-N 3.3Å
279	K	98.6	Very high	98.5	Very high	117 Å²	117	49.9 Å²	49.9	51%	0.509	26%	0.255	S	S	.	.	H	α-helix	trans	-62.1	-31.4	173.1	-76.8	170.4	-177.5	177.7	0	112.8	F266 K275 D276 L277	F266-K279 HydrophobicContact CE2-CG 4Å; F266-K279 HydrophobicContact CZ-CG 3.9Å; K275-K279 WeakPolarHBondContact O-CB 3.39Å; K275-K279 VanDerWaalsContact O-CG 3.22Å; K275-K279 WeakPolarHBondContact O-CG 3.4Å; K275-K279 PolarHBondContact O-N 3.42Å; D276-K279 PolarHBondContact O-N 3.39Å; L277-K279 VanDerWaalsContact C-N 3.34Å; L277-K279 PolarHBondContact O-N 3.19Å
280	N	98.7	Very high	98.5	Very high	32 Å²	32	48.3 Å²	48.3	17%	0.171	25%	0.246	C	C	.	.	H	α-helix	trans	-85.4	-25.5	179.6	-74.6	-68.7	0	0	0	113.2	D276 L277 L278 R289 Y290	D276-N280 PolarHBondContact O-N 3.42Å; D276-N280 PolarHBondContact O-ND2 3.02Å; L277-N280 PolarHBondContact O-N 3.38Å; L278-N280 PolarHBondContact O-N 3.44Å; N280-R289 WeakPolarHBondContact O-CA 3.36Å; N280-Y290 HydrophobicContact CB-CD1 3.58Å; N280-Y290 HydrophobicContact CB-CD2 3.81Å; N280-Y290 HydrophobicContact CB-CE1 3.65Å; N280-Y290 HydrophobicContact CB-CE2 3.89Å; N280-Y290 HydrophobicContact CB-CG 3.66Å; N280-Y290 PolarHBondContact O-N 3.48Å; N280-Y290 WeakPolarHBondContact OD1-CE1 3.26Å
281	L	98.8	Very high	98.5	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-84.5	-47.4	173	-68.8	173	0	0	0	112.4	W230 L233 I237 L277 L278 Q283 R289 I300	W230-L281 HydrophobicContact CB-CD2 4.41Å; L233-L281 HydrophobicContact CD2-CD1 4.32Å; L233-L281 HydrophobicContact CG-CD1 4.28Å; I237-L281 HydrophobicContact CD1-CD1 4.02Å; L277-L281 HydrophobicContact CD1-CD1 3.97Å; L277-L281 HydrophobicContact CD1-CG 4.19Å; L277-L281 HydrophobicContact CD2-CD1 4.41Å; L277-L281 HydrophobicContact CG-CD1 3.88Å; L277-L281 HydrophobicContact CG-CG 4.44Å; L277-L281 PolarHBondContact O-N 3.47Å; L278-L281 PolarHBondContact O-N 3.05Å; L281-Q283 PolarHBondContact O-N 2.81Å; L281-R289 WeakPolarHBondContact O-CD 3.37Å; L281-R289 WeakPolarHBondContact O-CG 3.27Å; L281-I300 HydrophobicContact CD2-CD1 3.79Å; L281-I300 HydrophobicContact CD2-CG1 4.1Å
282	L	98.8	Very high	98.5	Very high	9 Å²	9	49.2 Å²	49.2	5%	0.047	25%	0.25	C	C	.	.	S	Bend	trans	-81.4	40.4	176.5	-57.5	177.9	0	0	0	111.5	W231 V235 P246 V264 L278	W231-L282 HydrophobicContact CD2-CD2 4.05Å; W231-L282 HydrophobicContact CE3-CD2 4.42Å; W231-L282 HydrophobicContact CG-CD2 4.45Å; W231-L282 HydrophobicContact CH2-CB 4.37Å; W231-L282 HydrophobicContact CZ2-CD2 4.22Å; W231-L282 HydrophobicContact CZ3-CB 4.25Å; W231-L282 WeakPolarHBondContact CZ3-O 3.2Å; V235-L282 HydrophobicContact CG2-CD2 3.68Å; P246-L282 HydrophobicContact CB-CD1 4.21Å; P246-L282 HydrophobicContact CG-CD1 4.15Å; V264-L282 HydrophobicContact CG1-CD1 4.26Å; V264-L282 HydrophobicContact CG2-CB 4.28Å; V264-L282 HydrophobicContact CG2-CD1 3.98Å; L278-L282 WeakPolarHBondContact O-CA 3.37Å; L278-L282 VanDerWaalsContact O-CB 3.24Å; L278-L282 WeakPolarHBondContact O-CB 3.33Å; L278-L282 PolarHBondContact O-N 3.3Å
283	Q	98.4	Very high	98.4	Very high	54 Å²	54	46 Å²	46	25%	0.252	23%	0.232	S	C	.	.			trans	-93.7	120.5	-177.6	178.3	52.3	-101.9	0	0	110.3	L281 D285 K288 R289	L281-Q283 PolarHBondContact O-N 2.81Å; Q283-D285 VanDerWaalsContact C-N 3.35Å; Q283-D285 HydrophobicContact CG-CB 4.27Å; Q283-D285 WeakPolarHBondContact CG-O 3.27Å; Q283-K288 HydrophobicContact CG-CB 3.75Å; Q283-R289 HydrophobicContact CB-CB 4.06Å; Q283-R289 HydrophobicContact CB-CG 4.24Å; Q283-R289 HydrophobicContact CG-CB 4.39Å; Q283-R289 VanDerWaalsContact O-CZ 3.28Å; Q283-R289 PolarHBondContact O-NE 3Å; Q283-R289 PolarHBondContact O-NH2 3.25Å
284	V	98	Very high	98.3	Very high	59 Å²	59	52.1 Å²	52.1	36%	0.358	26%	0.257	S	S	.	.	S	Bend	trans	-67.9	-37.8	178.4	-178.7	0	0	0	0	111	P216 W231 L286	P216-V284 HydrophobicContact CB-CG1 4.32Å; P216-V284 HydrophobicContact CG-CG1 4.38Å; P216-V284 HydrophobicContact CG-CG2 4.13Å; W231-V284 HydrophobicContact CZ3-CG2 4.41Å; V284-L286 PolarHBondContact O-N 2.86Å
285	D	97.6	Very high	98.2	Very high	53 Å²	53	57.1 Å²	57.1	28%	0.283	28%	0.284	S	S	.	.			trans	-73.9	104.4	177.9	-175.3	-9.5	0	0	0	111.2	Q283 T287 K288 R289	Q283-D285 VanDerWaalsContact C-N 3.35Å; Q283-D285 HydrophobicContact CG-CB 4.27Å; Q283-D285 WeakPolarHBondContact CG-O 3.27Å; D285-T287 VanDerWaalsContact CG-OG1 3.29Å; D285-T287 PolarHBondContact O-N 3.38Å; D285-T287 WeakPolarHBondContact OD1-CB 3.38Å; D285-T287 PolarHBondContact OD1-N 2.86Å; D285-T287 PolarHBondContact OD1-OG1 3.4Å; D285-T287 PolarHBondContact OD2-OG1 2.89Å; D285-K288 HydrophobicContact CB-CB 4.4Å; D285-K288 HydrophobicContact CB-CD 4.24Å; D285-K288 HydrophobicContact CB-CG 4.48Å; D285-K288 PolarHBondContact O-N 3.36Å; D285-K288 WeakPolarHBondContact OD2-CD 3.48Å; D285-K288 WeakPolarHBondContact OD2-CE 3.44Å; D285-K288 IonicContact OD2-NZ 3.2Å; D285-K288 PolarHBondContact OD2-NZ 2.86Å; D285-R289 PolarHBondContact O-N 2.83Å; D285-R289 VanDerWaalsContact O-N 3.16Å
286	L	97.7	Very high	98	Very high	61 Å²	61	55.9 Å²	55.9	32%	0.319	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-22.9	-179.8	-69.6	176.7	0	0	0	114	A227 V284 K288 N292	A227-L286 HydrophobicContact CB-CD2 4.08Å; V284-L286 PolarHBondContact O-N 2.86Å; L286-K288 PolarHBondContact O-N 3.47Å; L286-N292 PolarHBondContact O-ND2 3.29Å
287	T	97.6	Very high	98	Very high	108 Å²	108	53.5 Å²	53.5	66%	0.663	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-7.4	177.4	71.3	0	0	0	0	113.2	D285 L293	D285-T287 VanDerWaalsContact CG-OG1 3.29Å; D285-T287 PolarHBondContact O-N 3.38Å; D285-T287 WeakPolarHBondContact OD1-CB 3.38Å; D285-T287 PolarHBondContact OD1-N 2.86Å; D285-T287 PolarHBondContact OD1-OG1 3.4Å; D285-T287 PolarHBondContact OD2-OG1 2.89Å; T287-L293 WeakPolarHBondContact O-CD2 2.92Å
288	K	98.3	Very high	97.9	Very high	114 Å²	114	55.1 Å²	55.1	50%	0.496	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.7	-10.1	-178.8	-64.2	175.5	-171.3	149.1	0	113.2	Q283 D285 L286 Y290	Q283-K288 HydrophobicContact CG-CB 3.75Å; D285-K288 HydrophobicContact CB-CB 4.4Å; D285-K288 HydrophobicContact CB-CD 4.24Å; D285-K288 HydrophobicContact CB-CG 4.48Å; D285-K288 PolarHBondContact O-N 3.36Å; D285-K288 WeakPolarHBondContact OD2-CD 3.48Å; D285-K288 WeakPolarHBondContact OD2-CE 3.44Å; D285-K288 IonicContact OD2-NZ 3.2Å; D285-K288 PolarHBondContact OD2-NZ 2.86Å; L286-K288 PolarHBondContact O-N 3.47Å; K288-Y290 PolarHBondContact O-N 2.83Å
289	R	98.7	Very high	97.9	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	29%	0.293	C	S	.	.			trans	-71.5	124.7	-178.7	-166.9	-177.1	-60.4	162	4.1	111.5	E217 A227 N280 L281 Q283 D285 N292 L293	E217-R289 IonicContact OE1-CZ 3.55Å; E217-R289 IonicContact OE1-NH1 3.51Å; E217-R289 PolarHBondContact OE1-NH1 3.28Å; E217-R289 IonicContact OE1-NH2 2.9Å; E217-R289 IonicContact OE2-CZ 2.94Å; E217-R289 IonicContact OE2-NH1 3.68Å; E217-R289 IonicContact OE2-NH2 2.91Å; E217-R289 PolarHBondContact OE2-NH2 3.26Å; A227-R289 PolarHBondContact O-NH1 3.48Å; N280-R289 WeakPolarHBondContact O-CA 3.36Å; L281-R289 WeakPolarHBondContact O-CD 3.37Å; L281-R289 WeakPolarHBondContact O-CG 3.27Å; Q283-R289 HydrophobicContact CB-CB 4.06Å; Q283-R289 HydrophobicContact CB-CG 4.24Å; Q283-R289 HydrophobicContact CG-CB 4.39Å; Q283-R289 VanDerWaalsContact O-CZ 3.28Å; Q283-R289 PolarHBondContact O-NE 3Å; Q283-R289 PolarHBondContact O-NH2 3.25Å; D285-R289 PolarHBondContact O-N 2.83Å; D285-R289 VanDerWaalsContact O-N 3.16Å; R289-N292 PolarHBondContact O-N 3.12Å; R289-N292 VanDerWaalsContact O-N 3.15Å; R289-L293 WeakPolarHBondContact O-CG 3.41Å
290	Y	98.7	Very high	97.9	Very high	45 Å²	45	51 Å²	51	18%	0.176	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	147.4	175	-83	21	0	0	0	111.7	L277 N280 K288 N292 L293 D299 I300 H303	L277-Y290 HydrophobicContact CD1-CD2 4.45Å; N280-Y290 HydrophobicContact CB-CD1 3.58Å; N280-Y290 HydrophobicContact CB-CD2 3.81Å; N280-Y290 HydrophobicContact CB-CE1 3.65Å; N280-Y290 HydrophobicContact CB-CE2 3.89Å; N280-Y290 HydrophobicContact CB-CG 3.66Å; N280-Y290 PolarHBondContact O-N 3.48Å; N280-Y290 WeakPolarHBondContact OD1-CE1 3.26Å; K288-Y290 PolarHBondContact O-N 2.83Å; Y290-N292 PolarHBondContact O-N 2.5Å; Y290-L293 HydrophobicContact CD1-CD1 3.93Å; Y290-L293 HydrophobicContact CE1-CD1 4.22Å; Y290-D299 HydrophobicContact CD1-CB 4.2Å; Y290-D299 HydrophobicContact CD2-CB 3.98Å; Y290-D299 WeakPolarHBondContact CD2-O 3.32Å; Y290-D299 HydrophobicContact CE1-CB 4.41Å; Y290-D299 HydrophobicContact CE2-CB 4.19Å; Y290-D299 VanDerWaalsContact CE2-O 3.25Å; Y290-D299 WeakPolarHBondContact CE2-O 3.41Å; Y290-D299 HydrophobicContact CG-CB 3.99Å; Y290-I300 HydrophobicContact CD2-CG1 4.3Å; Y290-H303 AromaticContact CE2-CD2 3.85Å
291	G	98.3	Very high	97.8	Very high	6 Å²	6	50.5 Å²	50.5	6%	0.062	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	82.3	-19.9	-171.5	0	0	0	0	0	114.4	W230 G296	W230-G291 PolarHBondContact NE1-O 2.93Å; G291-G296 WeakPolarHBondContact CA-O 3.45Å; G291-G296 PolarHBondContact N-O 3.23Å
292	N	97.9	Very high	97.8	Very high	49 Å²	49	56.9 Å²	56.9	26%	0.262	30%	0.299	S	S	.	.	S	Bend	trans	-108.2	-1.8	176.9	-165.9	59.2	0	0	0	113.7	N225 A227 L286 R289 Y290	N225-N292 PolarHBondContact ND2-OD1 3.12Å; A227-N292 HydrophobicContact CB-CB 3.84Å; L286-N292 PolarHBondContact O-ND2 3.29Å; R289-N292 PolarHBondContact O-N 3.12Å; R289-N292 VanDerWaalsContact O-N 3.15Å; Y290-N292 PolarHBondContact O-N 2.5Å
293	L	97.4	Very high	97.8	Very high	55 Å²	55	57 Å²	57	29%	0.288	30%	0.3	S	S	.	.	S	Bend	trans	-82.1	178.3	177.5	-50.8	-173	0	0	0	111.7	T287 R289 Y290 N295 G296 D299	T287-L293 WeakPolarHBondContact O-CD2 2.92Å; R289-L293 WeakPolarHBondContact O-CG 3.41Å; Y290-L293 HydrophobicContact CD1-CD1 3.93Å; Y290-L293 HydrophobicContact CE1-CD1 4.22Å; L293-N295 VanDerWaalsContact C-N 3.28Å; L293-N295 PolarHBondContact O-N 3.03Å; L293-G296 WeakPolarHBondContact O-CA 3.28Å; L293-G296 PolarHBondContact O-N 3.36Å; L293-D299 WeakPolarHBondContact CB-OD2 3.45Å
294	K	96.4	Very high	97.8	Very high	213 Å²	213	62.4 Å²	62.4	93%	0.926	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-36.5	-179.6	-172.4	-179.5	177.8	-175.4	0	113.4	G296	K294-G296 VanDerWaalsContact C-N 3.27Å
295	N	96	Very high	97.9	Very high	105 Å²	105	59.8 Å²	59.8	56%	0.561	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-5.8	178	-54.2	-30.9	0	0	0	112.5	L293 V297 A298 D299	L293-N295 VanDerWaalsContact C-N 3.28Å; L293-N295 PolarHBondContact O-N 3.03Å; N295-V297 PolarHBondContact O-N 3.47Å; N295-A298 HydrophobicContact CB-CB 4.31Å; N295-A298 VanDerWaalsContact O-CB 3.31Å; N295-A298 WeakPolarHBondContact O-CB 3.49Å; N295-A298 PolarHBondContact O-N 3.49Å; N295-A298 VanDerWaalsContact O-N 3.14Å; N295-D299 VanDerWaalsContact CB-OD1 3.32Å; N295-D299 WeakPolarHBondContact CB-OD1 3.35Å; N295-D299 PolarHBondContact ND2-OD1 3.17Å
296	G	96.4	Very high	97.9	Very high	18 Å²	18	57.3 Å²	57.3	19%	0.186	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.9	-127.8	177.8	0	0	0	0	0	112.8	G291 L293 K294 A298 D299	G291-G296 WeakPolarHBondContact CA-O 3.45Å; G291-G296 PolarHBondContact N-O 3.23Å; L293-G296 WeakPolarHBondContact O-CA 3.28Å; L293-G296 PolarHBondContact O-N 3.36Å; K294-G296 VanDerWaalsContact C-N 3.27Å; G296-A298 PolarHBondContact O-N 2.84Å; G296-D299 PolarHBondContact O-N 3.34Å
297	V	97.2	Very high	97.9	Very high	26 Å²	26	57.6 Å²	57.6	16%	0.158	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-20.8	-179.1	68.3	0	0	0	0	113.3	V160 E164 W230 N295 D299 I300 K301	V160-V297 HydrophobicContact CG1-CG2 3.7Å; E164-V297 HydrophobicContact CB-CG1 4.47Å; E164-V297 HydrophobicContact CB-CG2 4.3Å; E164-V297 HydrophobicContact CG-CG1 4Å; E164-V297 WeakPolarHBondContact OE1-CG1 3.41Å; W230-V297 HydrophobicContact CH2-CB 4.22Å; W230-V297 HydrophobicContact CH2-CG2 3.57Å; W230-V297 HydrophobicContact CZ2-CB 4.15Å; W230-V297 HydrophobicContact CZ2-CG2 4.02Å; W230-V297 HydrophobicContact CZ3-CG2 4.36Å; N295-V297 PolarHBondContact O-N 3.47Å; V297-D299 PolarHBondContact O-N 3.01Å; V297-I300 WeakPolarHBondContact O-CB 3.35Å; V297-I300 PolarHBondContact O-N 3.45Å; V297-K301 HydrophobicContact CG2-CG 4.27Å; V297-K301 PolarHBondContact O-N 3.42Å
298	A	97.2	Very high	97.8	Very high	34 Å²	34	57 Å²	57	28%	0.281	31%	0.311	S	S	.	.	H	α-helix	trans	-64.1	-30.3	180	0	0	0	0	0	112.3	N295 G296 I300 K301 N302	N295-A298 HydrophobicContact CB-CB 4.31Å; N295-A298 VanDerWaalsContact O-CB 3.31Å; N295-A298 WeakPolarHBondContact O-CB 3.49Å; N295-A298 PolarHBondContact O-N 3.49Å; N295-A298 VanDerWaalsContact O-N 3.14Å; G296-A298 PolarHBondContact O-N 2.84Å; A298-I300 PolarHBondContact O-N 3.42Å; A298-K301 PolarHBondContact O-N 3Å; A298-N302 VanDerWaalsContact O-CB 3.28Å; A298-N302 WeakPolarHBondContact O-CB 3.3Å; A298-N302 PolarHBondContact O-N 2.75Å; A298-N302 PolarHBondContact O-ND2 3.05Å
299	D	98.4	Very high	97.8	Very high	30 Å²	30	52.7 Å²	52.7	16%	0.16	29%	0.294	C	S	.	.	H	α-helix	trans	-63.3	-29.6	174	-68.1	-34.5	0	0	0	111.9	Y290 L293 N295 G296 V297	Y290-D299 HydrophobicContact CD1-CB 4.2Å; Y290-D299 HydrophobicContact CD2-CB 3.98Å; Y290-D299 WeakPolarHBondContact CD2-O 3.32Å; Y290-D299 HydrophobicContact CE1-CB 4.41Å; Y290-D299 HydrophobicContact CE2-CB 4.19Å; Y290-D299 VanDerWaalsContact CE2-O 3.25Å; Y290-D299 WeakPolarHBondContact CE2-O 3.41Å; Y290-D299 HydrophobicContact CG-CB 3.99Å; L293-D299 WeakPolarHBondContact CB-OD2 3.45Å; N295-D299 VanDerWaalsContact CB-OD1 3.32Å; N295-D299 WeakPolarHBondContact CB-OD1 3.35Å; N295-D299 PolarHBondContact ND2-OD1 3.17Å; G296-D299 PolarHBondContact O-N 3.34Å; V297-D299 PolarHBondContact O-N 3.01Å
300	I	98.7	Very high	97.8	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-80.5	-49.5	175	-56.6	171.7	0	0	0	109.7	V160 W230 L277 L281 Y290 V297 A298 N302 H303 F306	V160-I300 HydrophobicContact CG1-CG2 4.45Å; V160-I300 HydrophobicContact CG2-CG2 3.79Å; W230-I300 HydrophobicContact CD2-CD1 3.69Å; W230-I300 HydrophobicContact CE3-CD1 3.26Å; W230-I300 HydrophobicContact CG-CD1 4.33Å; W230-I300 HydrophobicContact CH2-CD1 4.25Å; W230-I300 HydrophobicContact CZ3-CD1 3.58Å; L277-I300 HydrophobicContact CD1-CG2 4.5Å; L281-I300 HydrophobicContact CD2-CD1 3.79Å; L281-I300 HydrophobicContact CD2-CG1 4.1Å; Y290-I300 HydrophobicContact CD2-CG1 4.3Å; V297-I300 WeakPolarHBondContact O-CB 3.35Å; V297-I300 PolarHBondContact O-N 3.45Å; A298-I300 PolarHBondContact O-N 3.42Å; I300-N302 VanDerWaalsContact C-N 3.31Å; I300-N302 PolarHBondContact O-N 3.19Å; I300-H303 VanDerWaalsContact O-CB 3.25Å; I300-H303 WeakPolarHBondContact O-CB 3.27Å; I300-H303 PolarHBondContact O-N 2.76Å; I300-H303 VanDerWaalsContact O-N 3.17Å; I300-F306 HydrophobicContact CG2-CD2 4.26Å; I300-F306 HydrophobicContact CG2-CE2 3.73Å; I300-F306 VanDerWaalsContact O-CD2 3.28Å; I300-F306 WeakPolarHBondContact O-CD2 3.26Å
301	K	98.3	Very high	97.7	Very high	21 Å²	21	56.6 Å²	56.6	9%	0.091	32%	0.315	C	S	.	.	H	α-helix	trans	-62.6	-36.7	-175.1	-74.5	-174.4	170.1	177.1	0	113.9	L24 V160 E164 V297 A298 H303 W311	L24-K301 VanDerWaalsContact CD2-NZ 3.28Å; V160-K301 HydrophobicContact CG1-CG 3.9Å; E164-K301 IonicContact OE1-NZ 3.75Å; E164-K301 PolarHBondContact OE1-NZ 2.91Å; E164-K301 WeakPolarHBondContact OE2-CE 3.28Å; E164-K301 IonicContact OE2-NZ 2.68Å; E164-K301 PolarHBondContact OE2-NZ 2.88Å; V297-K301 HydrophobicContact CG2-CG 4.27Å; V297-K301 PolarHBondContact O-N 3.42Å; A298-K301 PolarHBondContact O-N 3Å; K301-H303 VanDerWaalsContact C-N 3.34Å; K301-W311 VanDerWaalsContact CA-CZ2 3.42Å; K301-W311 HydrophobicContact CB-CD2 4.45Å; K301-W311 HydrophobicContact CB-CH2 4.44Å; K301-W311 HydrophobicContact CB-CZ2 3.76Å; K301-W311 HydrophobicContact CD-CD2 4.12Å; K301-W311 HydrophobicContact CD-CE3 4.39Å; K301-W311 HydrophobicContact CD-CG 4.47Å; K301-W311 HydrophobicContact CG-CD2 3.99Å; K301-W311 HydrophobicContact CG-CE3 4.21Å; K301-W311 HydrophobicContact CG-CH2 3.89Å; K301-W311 HydrophobicContact CG-CZ2 3.66Å; K301-W311 HydrophobicContact CG-CZ3 4.14Å; K301-W311 PolarHBondContact O-NE1 2.85Å
302	N	98.1	Very high	97.5	Very high	134 Å²	134	58.3 Å²	58.3	72%	0.717	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91	1.2	-178.5	-61.3	-26.7	0	0	0	112.7	A298 I300	A298-N302 VanDerWaalsContact O-CB 3.28Å; A298-N302 WeakPolarHBondContact O-CB 3.3Å; A298-N302 PolarHBondContact O-N 2.75Å; A298-N302 PolarHBondContact O-ND2 3.05Å; I300-N302 VanDerWaalsContact C-N 3.31Å; I300-N302 PolarHBondContact O-N 3.19Å
303	H	98.8	Very high	97.4	Very high	13 Å²	13	56.5 Å²	56.5	6%	0.06	31%	0.314	C	S	.	.	S	Bend	trans	-64.5	142.2	177.9	-172.9	-90.5	0	0	0	110.9	E273 D276 L277 Y290 I300 K301 W305 F306 G307	E273-H303 PolarHBondContact O-CE1 3.26Å; D276-H303 IonicContact OD2-NE2 3.75Å; D276-H303 PolarHBondContact OD2-NE2 3.45Å; L277-H303 HydrophobicContact CD1-CB 4.18Å; Y290-H303 AromaticContact CE2-CD2 3.85Å; I300-H303 VanDerWaalsContact O-CB 3.25Å; I300-H303 WeakPolarHBondContact O-CB 3.27Å; I300-H303 PolarHBondContact O-N 2.76Å; I300-H303 VanDerWaalsContact O-N 3.17Å; K301-H303 VanDerWaalsContact C-N 3.34Å; H303-W305 WeakPolarHBondContact ND1-CB 3.41Å; H303-W305 PolarHBondContact ND1-N 2.85Å; H303-W305 PolarHBondContact O-N 2.64Å; H303-W305 VanDerWaalsContact O-N 3.08Å; H303-F306 CarbonylContact O-C 3.56Å; H303-F306 WeakPolarHBondContact O-CA 3.44Å; H303-F306 PolarHBondContact O-N 3.26Å; H303-G307 PolarHBondContact O-N 3.45Å
304	K	98.6	Very high	97.4	Very high	166 Å²	166	54.1 Å²	54.1	72%	0.722	30%	0.302	S	S	*	.	G	3₁₀ helix	trans	-54.5	-34.2	-176.4	-68.1	-177.5	-179.2	177.9	0	113.8	E273 F306 G307	E273-K304 HydrophobicContact CG-CB 4.02Å; K304-F306 PolarHBondContact O-N 3.12Å; K304-G307 PolarHBondContact O-N 3.04Å
305	W	98.8	Very high	97.3	Very high	4 Å²	4	46.9 Å²	46.9	2%	0.015	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-60.9	-30.1	176	-168.5	74.5	0	0	0	112.9	E149 R153 A156 I237 E273 L274 L277 H303	E149-W305 HydrophobicContact CB-CZ2 4.39Å; E149-W305 PolarHBondContact OE2-NE1 2.91Å; R153-W305 HydrophobicContact CB-CE3 4.43Å; R153-W305 HydrophobicContact CB-CH2 3.57Å; R153-W305 HydrophobicContact CB-CZ2 3.91Å; R153-W305 HydrophobicContact CB-CZ3 3.84Å; R153-W305 WeakPolarHBondContact CD-O 3.32Å; R153-W305 HydrophobicContact CG-CE3 4.14Å; R153-W305 HydrophobicContact CG-CH2 4.15Å; R153-W305 HydrophobicContact CG-CZ3 3.88Å; R153-W305 PolarHBondContact NE-O 2.91Å; A156-W305 HydrophobicContact CB-CH2 4.35Å; A156-W305 HydrophobicContact CB-CZ3 4.06Å; I237-W305 HydrophobicContact CD1-CZ3 4.33Å; I237-W305 HydrophobicContact CG2-CH2 3.89Å; I237-W305 HydrophobicContact CG2-CZ2 4.36Å; I237-W305 HydrophobicContact CG2-CZ3 4.3Å; E273-W305 HydrophobicContact CB-CB 4Å; E273-W305 HydrophobicContact CB-CG 4.46Å; L274-W305 HydrophobicContact CB-CG 4.5Å; L274-W305 HydrophobicContact CD1-CD2 4.28Å; L274-W305 HydrophobicContact CD1-CZ2 3.89Å; L277-W305 HydrophobicContact CB-CB 4.35Å; L277-W305 HydrophobicContact CD2-CB 4.17Å; L277-W305 HydrophobicContact CD2-CD2 3.96Å; L277-W305 HydrophobicContact CD2-CE3 3.41Å; L277-W305 VanDerWaalsContact CD2-CE3 3.41Å; L277-W305 HydrophobicContact CD2-CG 4.29Å; L277-W305 HydrophobicContact CD2-CZ3 4.05Å; H303-W305 WeakPolarHBondContact ND1-CB 3.41Å; H303-W305 PolarHBondContact ND1-N 2.85Å; H303-W305 PolarHBondContact O-N 2.64Å; H303-W305 VanDerWaalsContact O-N 3.08Å
306	F	98.8	Very high	97.3	Very high	2 Å²	2	46.5 Å²	46.5	1%	0.009	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-92.3	7.3	171.9	-74	-74.1	0	0	0	113.2	R153 A156 A157 V160 L277 I300 H303 K304 S308 T309 W311	R153-F306 HydrophobicContact CG-CD1 3.7Å; R153-F306 HydrophobicContact CG-CE1 3.88Å; A156-F306 HydrophobicContact CB-CE1 4.05Å; A156-F306 HydrophobicContact CB-CZ 3.83Å; A157-F306 HydrophobicContact CB-CE1 4.16Å; V160-F306 HydrophobicContact CG2-CZ 4.18Å; L277-F306 HydrophobicContact CD2-CD2 4.21Å; L277-F306 HydrophobicContact CD2-CE2 3.7Å; L277-F306 HydrophobicContact CD2-CZ 4.5Å; I300-F306 HydrophobicContact CG2-CD2 4.26Å; I300-F306 HydrophobicContact CG2-CE2 3.73Å; I300-F306 VanDerWaalsContact O-CD2 3.28Å; I300-F306 WeakPolarHBondContact O-CD2 3.26Å; H303-F306 CarbonylContact O-C 3.56Å; H303-F306 WeakPolarHBondContact O-CA 3.44Å; H303-F306 PolarHBondContact O-N 3.26Å; K304-F306 PolarHBondContact O-N 3.12Å; F306-S308 PolarHBondContact O-N 2.94Å; F306-T309 WeakPolarHBondContact CA-OG1 3.47Å; F306-T309 HydrophobicContact CD1-CG2 4.36Å; F306-T309 WeakPolarHBondContact CD1-OG1 3.27Å; F306-T309 WeakPolarHBondContact O-CA 3.25Å; F306-T309 WeakPolarHBondContact O-CB 3.1Å; F306-T309 PolarHBondContact O-N 3.25Å; F306-T309 PolarHBondContact O-OG1 2.87Å; F306-W311 HydrophobicContact CB-CH2 4.46Å; F306-W311 HydrophobicContact CB-CZ2 3.76Å; F306-W311 AromaticContact CD1-CH2 3.65Å; F306-W311 HydrophobicContact CD1-CH2 3.65Å; F306-W311 AromaticContact CD1-CZ2 3.78Å; F306-W311 HydrophobicContact CD1-CZ2 3.78Å; F306-W311 HydrophobicContact CD2-CH2 4.36Å; F306-W311 HydrophobicContact CD2-CZ2 4.33Å; F306-W311 AromaticContact CE1-CH2 3.86Å; F306-W311 HydrophobicContact CE1-CH2 3.86Å; F306-W311 HydrophobicContact CE1-CZ2 4.44Å; F306-W311 AromaticContact CG-CH2 3.93Å; F306-W311 HydrophobicContact CG-CH2 3.93Å; F306-W311 AromaticContact CG-CZ2 3.71Å; F306-W311 HydrophobicContact CG-CZ2 3.71Å; F306-W311 HydrophobicContact CZ-CH2 4.28Å
307	G	97.6	Very high	97.3	Very high	67 Å²	67	49 Å²	49	69%	0.691	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-20.9	-171.5	0	0	0	0	0	115.6	H303 K304	H303-G307 PolarHBondContact O-N 3.45Å; K304-G307 PolarHBondContact O-N 3.04Å
308	S	96.1	Very high	97.3	Very high	96 Å²	96	54.7 Å²	54.7	67%	0.671	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.8	9	174.2	72.3	0	0	0	0	114.1	F306	F306-S308 PolarHBondContact O-N 2.94Å
309	T	98.2	Very high	97.3	Very high	23 Å²	23	56.1 Å²	56.1	14%	0.141	29%	0.294	C	S	.	.			trans	-95.6	116.3	-170.8	-48.7	0	0	0	0	110.3	R153 A157 F306 W311 I314	R153-T309 WeakPolarHBondContact CD-OG1 3.18Å; A157-T309 HydrophobicContact CB-CG2 3.78Å; F306-T309 WeakPolarHBondContact CA-OG1 3.47Å; F306-T309 HydrophobicContact CD1-CG2 4.36Å; F306-T309 WeakPolarHBondContact CD1-OG1 3.27Å; F306-T309 WeakPolarHBondContact O-CA 3.25Å; F306-T309 WeakPolarHBondContact O-CB 3.1Å; F306-T309 PolarHBondContact O-N 3.25Å; F306-T309 PolarHBondContact O-OG1 2.87Å; T309-W311 HydrophobicContact CG2-CD2 4.19Å; T309-W311 HydrophobicContact CG2-CE3 4.39Å; T309-W311 HydrophobicContact CG2-CH2 4.42Å; T309-W311 HydrophobicContact CG2-CZ2 4.19Å; T309-W311 PolarHBondContact O-N 3.26Å; T309-I314 HydrophobicContact CG2-CG1 4.19Å
310	D	97.1	Very high	97.3	Very high	85 Å²	85	63.3 Å²	63.3	46%	0.455	33%	0.327	S	S	.	.			trans	-85.2	100	166.7	-175.6	-24.1	0	0	0	109.5	I312 A313 I314	D310-I312 VanDerWaalsContact C-N 3.28Å; D310-I312 PolarHBondContact O-N 3.49Å; D310-I312 PolarHBondContact OD1-N 2.93Å; D310-A313 HydrophobicContact CB-CB 3.79Å; D310-A313 VanDerWaalsContact CG-CB 3.42Å; D310-A313 PolarHBondContact O-N 3.35Å; D310-A313 PolarHBondContact OD1-N 2.9Å; D310-I314 WeakPolarHBondContact O-CG1 3.33Å; D310-I314 PolarHBondContact O-N 2.84Å
311	W	96.5	Very high	97.3	Very high	41 Å²	41	64 Å²	64	16%	0.155	33%	0.333	C	S	.	.	H	α-helix	trans	-60.2	-34.9	-178.2	-63.4	100.5	0	0	0	113.4	A157 V160 L161 K301 F306 T309 Y315	A157-W311 HydrophobicContact CB-CE3 4.39Å; A157-W311 HydrophobicContact CB-CH2 4.21Å; A157-W311 HydrophobicContact CB-CZ3 3.79Å; V160-W311 HydrophobicContact CB-CH2 4.1Å; V160-W311 HydrophobicContact CB-CZ3 3.82Å; V160-W311 HydrophobicContact CG1-CH2 3.83Å; V160-W311 HydrophobicContact CG1-CZ3 3.65Å; V160-W311 HydrophobicContact CG2-CH2 4.39Å; L161-W311 HydrophobicContact CD1-CE3 4.2Å; L161-W311 HydrophobicContact CD2-CE3 3.99Å; L161-W311 HydrophobicContact CG-CE3 3.9Å; L161-W311 HydrophobicContact CG-CZ3 4.31Å; K301-W311 VanDerWaalsContact CA-CZ2 3.42Å; K301-W311 HydrophobicContact CB-CD2 4.45Å; K301-W311 HydrophobicContact CB-CH2 4.44Å; K301-W311 HydrophobicContact CB-CZ2 3.76Å; K301-W311 HydrophobicContact CD-CD2 4.12Å; K301-W311 HydrophobicContact CD-CE3 4.39Å; K301-W311 HydrophobicContact CD-CG 4.47Å; K301-W311 HydrophobicContact CG-CD2 3.99Å; K301-W311 HydrophobicContact CG-CE3 4.21Å; K301-W311 HydrophobicContact CG-CH2 3.89Å; K301-W311 HydrophobicContact CG-CZ2 3.66Å; K301-W311 HydrophobicContact CG-CZ3 4.14Å; K301-W311 PolarHBondContact O-NE1 2.85Å; F306-W311 HydrophobicContact CB-CH2 4.46Å; F306-W311 HydrophobicContact CB-CZ2 3.76Å; F306-W311 AromaticContact CD1-CH2 3.65Å; F306-W311 HydrophobicContact CD1-CH2 3.65Å; F306-W311 AromaticContact CD1-CZ2 3.78Å; F306-W311 HydrophobicContact CD1-CZ2 3.78Å; F306-W311 HydrophobicContact CD2-CH2 4.36Å; F306-W311 HydrophobicContact CD2-CZ2 4.33Å; F306-W311 AromaticContact CE1-CH2 3.86Å; F306-W311 HydrophobicContact CE1-CH2 3.86Å; F306-W311 HydrophobicContact CE1-CZ2 4.44Å; F306-W311 AromaticContact CG-CH2 3.93Å; F306-W311 HydrophobicContact CG-CH2 3.93Å; F306-W311 AromaticContact CG-CZ2 3.71Å; F306-W311 HydrophobicContact CG-CZ2 3.71Å; F306-W311 HydrophobicContact CZ-CH2 4.28Å; T309-W311 HydrophobicContact CG2-CD2 4.19Å; T309-W311 HydrophobicContact CG2-CE3 4.39Å; T309-W311 HydrophobicContact CG2-CH2 4.42Å; T309-W311 HydrophobicContact CG2-CZ2 4.19Å; T309-W311 PolarHBondContact O-N 3.26Å; W311-Y315 WeakPolarHBondContact O-CB 3.48Å; W311-Y315 PolarHBondContact O-N 2.72Å
312	I	94.3	Very high	97.2	Very high	43 Å²	43	66.2 Å²	66.2	22%	0.221	35%	0.349	C	S	.	.	H	α-helix	trans	-75.3	-43.4	180	-66.1	179.1	0	0	0	109.6	N20 D310 I314 Y315 Q316	N20-I312 HydrophobicContact CB-CD1 3.61Å; N20-I312 WeakPolarHBondContact OD1-CD1 3.19Å; D310-I312 VanDerWaalsContact C-N 3.28Å; D310-I312 PolarHBondContact O-N 3.49Å; D310-I312 PolarHBondContact OD1-N 2.93Å; I312-I314 VanDerWaalsContact C-N 3.3Å; I312-I314 PolarHBondContact O-N 3.11Å; I312-Y315 PolarHBondContact O-N 2.79Å; I312-Q316 HydrophobicContact CG2-CG 4.19Å; I312-Q316 WeakPolarHBondContact O-CB 3.35Å; I312-Q316 VanDerWaalsContact O-CG 3.29Å; I312-Q316 WeakPolarHBondContact O-CG 3.38Å; I312-Q316 PolarHBondContact O-N 3.48Å
313	A	96.2	Very high	97	Very high	11 Å²	11	62.1 Å²	62.1	9%	0.091	33%	0.325	C	S	.	.	H	α-helix	trans	-63.5	-37.2	176.1	0	0	0	0	0	111.7	D310 K317 K318 I319	D310-A313 HydrophobicContact CB-CB 3.79Å; D310-A313 VanDerWaalsContact CG-CB 3.42Å; D310-A313 PolarHBondContact O-N 3.35Å; D310-A313 PolarHBondContact OD1-N 2.9Å; A313-K317 PolarHBondContact O-N 3.48Å; A313-K318 HydrophobicContact CB-CB 4.19Å; A313-K318 PolarHBondContact O-N 3.17Å; A313-I319 HydrophobicContact CB-CD1 3.56Å; A313-I319 HydrophobicContact CB-CG1 3.8Å
314	I	97.4	Very high	96.9	Very high	5 Å²	5	66.8 Å²	66.8	3%	0.026	35%	0.35	C	S	.	.	H	α-helix	trans	-60.2	-55	171.1	-68.2	-72	0	0	0	109.9	F111 F154 A157 Q158 L161 T309 D310 I312 Q316 K317 I319	F111-I314 HydrophobicContact CE2-CG2 4.18Å; F111-I314 HydrophobicContact CZ-CG2 3.91Å; F111-I314 WeakPolarHBondContact CZ-O 3.35Å; F154-I314 HydrophobicContact CD2-CD1 3.63Å; F154-I314 HydrophobicContact CE2-CD1 3.84Å; A157-I314 HydrophobicContact CB-CG1 4.27Å; A157-I314 HydrophobicContact CB-CG2 4.3Å; Q158-I314 HydrophobicContact CG-CG2 3.73Å; L161-I314 HydrophobicContact CD1-CB 4.24Å; L161-I314 HydrophobicContact CD1-CG2 3.74Å; T309-I314 HydrophobicContact CG2-CG1 4.19Å; D310-I314 WeakPolarHBondContact O-CG1 3.33Å; D310-I314 PolarHBondContact O-N 2.84Å; I312-I314 VanDerWaalsContact C-N 3.3Å; I312-I314 PolarHBondContact O-N 3.11Å; I314-Q316 VanDerWaalsContact C-N 3.27Å; I314-Q316 PolarHBondContact O-N 3.02Å; I314-K317 WeakPolarHBondContact O-CA 3.21Å; I314-K317 PolarHBondContact O-N 3.15Å; I314-I319 HydrophobicContact CD1-CB 3.9Å; I314-I319 HydrophobicContact CD1-CG1 3.69Å; I314-I319 HydrophobicContact CD1-CG2 4.19Å; I314-I319 HydrophobicContact CG1-CG1 4.02Å
315	Y	95.4	Very high	96.6	Very high	61 Å²	61	59.4 Å²	59.4	24%	0.239	32%	0.319	C	S	.	.	H	α-helix	trans	-53.9	-42.7	179.4	173.1	-103.2	0	0	0	112.7	F27 F109 P110 W311 I312 K317	F27-Y315 HydrophobicContact CE1-CE2 4.27Å; F27-Y315 AromaticContact CE2-CZ 3.97Å; F27-Y315 WeakPolarHBondContact CE2-OH 3.45Å; F27-Y315 HydrophobicContact CZ-CE2 4.08Å; F27-Y315 AromaticContact CZ-CZ 3.96Å; F27-Y315 VanDerWaalsContact CZ-OH 3.24Å; F27-Y315 WeakPolarHBondContact CZ-OH 3.5Å; F109-Y315 HydrophobicContact CD2-CE2 4.3Å; F109-Y315 AromaticContact CE2-CD2 4Å; F109-Y315 HydrophobicContact CE2-CD2 4Å; F109-Y315 AromaticContact CE2-CE2 3.61Å; F109-Y315 HydrophobicContact CE2-CE2 3.61Å; F109-Y315 AromaticContact CZ-CD2 3.92Å; F109-Y315 HydrophobicContact CZ-CD2 3.92Å; F109-Y315 HydrophobicContact CZ-CE2 4.02Å; P110-Y315 HydrophobicContact CG-CD2 4.05Å; P110-Y315 HydrophobicContact CG-CE2 3.57Å; W311-Y315 WeakPolarHBondContact O-CB 3.48Å; W311-Y315 PolarHBondContact O-N 2.72Å; I312-Y315 PolarHBondContact O-N 2.79Å; Y315-K317 PolarHBondContact O-N 3.29Å
316	Q	95.2	Very high	96.4	Very high	97 Å²	97	67.9 Å²	67.9	45%	0.453	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	4.6	179.4	-66.9	-180	-10.2	0	0	113.8	I312 I314 K318	I312-Q316 HydrophobicContact CG2-CG 4.19Å; I312-Q316 WeakPolarHBondContact O-CB 3.35Å; I312-Q316 VanDerWaalsContact O-CG 3.29Å; I312-Q316 WeakPolarHBondContact O-CG 3.38Å; I312-Q316 PolarHBondContact O-N 3.48Å; I314-Q316 VanDerWaalsContact C-N 3.27Å; I314-Q316 PolarHBondContact O-N 3.02Å; Q316-K318 VanDerWaalsContact C-N 3.3Å; Q316-K318 HydrophobicContact CB-CD 3.98Å; Q316-K318 HydrophobicContact CB-CG 3.94Å; Q316-K318 PolarHBondContact O-N 3.36Å
317	K	97	Very high	96.1	Very high	69 Å²	69	69.9 Å²	69.9	30%	0.3	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	53	41.4	-175.3	-60.5	-167.6	174	-170.6	0	114.2	F111 D184 Y188 A313 I314 Y315	F111-K317 HydrophobicContact CE1-CG 4.23Å; D184-K317 IonicContact OD2-NZ 2.68Å; D184-K317 PolarHBondContact OD2-NZ 2.92Å; Y188-K317 HydrophobicContact CD1-CB 4.5Å; Y188-K317 HydrophobicContact CD1-CD 4.29Å; Y188-K317 HydrophobicContact CD1-CG 3.88Å; Y188-K317 HydrophobicContact CD2-CB 4.25Å; Y188-K317 HydrophobicContact CD2-CD 4.19Å; Y188-K317 HydrophobicContact CD2-CG 4.22Å; Y188-K317 HydrophobicContact CE1-CB 4.16Å; Y188-K317 HydrophobicContact CE1-CG 3.92Å; Y188-K317 HydrophobicContact CE2-CB 3.89Å; Y188-K317 HydrophobicContact CE2-CG 4.26Å; Y188-K317 HydrophobicContact CG-CD 3.99Å; Y188-K317 HydrophobicContact CG-CG 4.03Å; Y188-K317 VanDerWaalsContact CZ-CA 3.45Å; Y188-K317 VanDerWaalsContact OH-C 3.27Å; Y188-K317 VanDerWaalsContact OH-CA 3.28Å; Y188-K317 WeakPolarHBondContact OH-CA 3.12Å; A313-K317 PolarHBondContact O-N 3.48Å; I314-K317 WeakPolarHBondContact O-CA 3.21Å; I314-K317 PolarHBondContact O-N 3.15Å; Y315-K317 PolarHBondContact O-N 3.29Å
318	K	97.2	Very high	95.8	Very high	146 Å²	146	77.2 Å²	77.2	64%	0.635	38%	0.376	S	S	*	.			trans	-101.2	-5.3	-177.8	-70	-179	175.8	172.1	0	114.6	Y188 A313 Q316	Y188-K318 PolarHBondContact OH-N 3.38Å; A313-K318 HydrophobicContact CB-CB 4.19Å; A313-K318 PolarHBondContact O-N 3.17Å; Q316-K318 VanDerWaalsContact C-N 3.3Å; Q316-K318 HydrophobicContact CB-CD 3.98Å; Q316-K318 HydrophobicContact CB-CG 3.94Å; Q316-K318 PolarHBondContact O-N 3.36Å
319	I	97.5	Very high	95.6	Very high	64 Å²	64	74 Å²	74	33%	0.328	36%	0.359	S	S	.	.	S	Bend	trans	-88.2	134.7	176.8	-59.9	-59.4	0	0	0	108.2	F154 Y188 A313 I314 A321	F154-I319 HydrophobicContact CD2-CB 4.49Å; F154-I319 HydrophobicContact CD2-CG2 3.93Å; F154-I319 HydrophobicContact CE2-CB 4.12Å; F154-I319 HydrophobicContact CE2-CG2 3.95Å; Y188-I319 PolarHBondContact OH-N 3.44Å; Y188-I319 PolarHBondContact OH-O 3.44Å; A313-I319 HydrophobicContact CB-CD1 3.56Å; A313-I319 HydrophobicContact CB-CG1 3.8Å; I314-I319 HydrophobicContact CD1-CB 3.9Å; I314-I319 HydrophobicContact CD1-CG1 3.69Å; I314-I319 HydrophobicContact CD1-CG2 4.19Å; I314-I319 HydrophobicContact CG1-CG1 4.02Å; I319-A321 PolarHBondContact O-N 2.74Å
320	E	97.5	Very high	95.3	Very high	182 Å²	182	77.9 Å²	77.9	85%	0.85	38%	0.384	S	S	*	.	P	Polyproline II helix	trans	-61.6	124.9	174.4	-173.4	176.9	-177.2	0	0	110.1
321	A	97.8	Very high	95.2	Very high	15 Å²	15	75 Å²	75	12%	0.124	37%	0.374	C	S	.	.	P	Polyproline II helix	trans	-72.1	136.1	-179.5	0	0	0	0	0	110.4	F154 T186 I319 F323 L324	F154-A321 HydrophobicContact CE1-CB 4.09Å; F154-A321 HydrophobicContact CZ-CB 3.87Å; T186-A321 VanDerWaalsContact O-CB 3.27Å; T186-A321 WeakPolarHBondContact O-CB 3.36Å; I319-A321 PolarHBondContact O-N 2.74Å; A321-F323 PolarHBondContact O-N 3.27Å; A321-F323 VanDerWaalsContact O-N 3.17Å; A321-L324 HydrophobicContact CB-CD2 4.28Å
322	P	96.5	Very high	95.1	Very high	66 Å²	66	74.1 Å²	74.1	43%	0.429	37%	0.372	S	S	.	.	S	Bend	trans	-68	-14.9	-180	28.9	-36.8	0	0	0	113.4	H151 F154	H151-P322 HydrophobicContact CB-CB 4.06Å; H151-P322 HydrophobicContact CB-CG 4.18Å; H151-P322 WeakPolarHBondContact CD2-CG 3.42Å; F154-P322 HydrophobicContact CB-CG 4.26Å; F154-P322 HydrophobicContact CD1-CG 3.79Å; F154-P322 HydrophobicContact CE1-CG 4.39Å; F154-P322 HydrophobicContact CG-CG 4.14Å
323	F	94.7	Very high	95.1	Very high	49 Å²	49	72.6 Å²	72.6	22%	0.215	37%	0.366	C	S	.	.			trans	-148	130.2	-179.5	169.6	-103.8	0	0	0	109.7	H140 I183 G187 A321 P325	H140-F323 AromaticContact CD2-CE1 3.98Å; H140-F323 AromaticContact CE1-CE1 3.68Å; H140-F323 AromaticContact CE1-CZ 3.49Å; H140-F323 VanDerWaalsContact CE1-CZ 3.49Å; H140-F323 WeakPolarHBondContact CE1-CZ 3.14Å; H140-F323 AromaticContact CG-CE1 3.85Å; H140-F323 AromaticContact ND1-CE1 3.68Å; H140-F323 AromaticContact ND1-CZ 3.37Å; H140-F323 WeakPolarHBondContact ND1-CZ 3.31Å; H140-F323 AromaticContact NE2-CE1 3.86Å; I183-F323 HydrophobicContact CD1-CD1 4.02Å; I183-F323 HydrophobicContact CD1-CE1 4.13Å; I183-F323 HydrophobicContact CG2-CD1 4.43Å; G187-F323 WeakPolarHBondContact CA-O 3.43Å; A321-F323 PolarHBondContact O-N 3.27Å; A321-F323 VanDerWaalsContact O-N 3.17Å; F323-P325 HydrophobicContact CE1-CB 3.94Å; F323-P325 HydrophobicContact CZ-CB 4.17Å
324	L	95.6	Very high	95	Very high	111 Å²	111	75.1 Å²	75.1	58%	0.581	38%	0.384	S	S	*	.			trans	-113.3	118.8	172.2	-67.3	174.5	0	0	0	108.6	T186 A321	T186-L324 VanDerWaalsContact C-CD2 3.41Å; T186-L324 WeakPolarHBondContact O-CD2 3.48Å; A321-L324 HydrophobicContact CB-CD2 4.28Å
325	P	93.9	Very high	94.9	Very high	10 Å²	10	76.1 Å²	76.1	7%	0.065	39%	0.389	C	S	.	.			trans	-67.2	148.1	176.7	27.8	-32.4	0	0	0	110.5	I183 D184 F323 C327	I183-P325 HydrophobicContact CG2-CG 4.13Å; D184-P325 WeakPolarHBondContact O-CD 3.36Å; D184-P325 VanDerWaalsContact O-CG 3.24Å; D184-P325 WeakPolarHBondContact O-CG 3.48Å; F323-P325 HydrophobicContact CE1-CB 3.94Å; F323-P325 HydrophobicContact CZ-CB 4.17Å; P325-C327 PolarHBondContact O-N 3.23Å
326	K	93.7	Very high	94.7	Very high	182 Å²	182	74.5 Å²	74.5	79%	0.791	38%	0.383	S	S	*	.			trans	-74.9	115.6	173.2	-67.2	-177	-178.7	179.9	0	108.4	N335	K326-N335 PolarHBondContact O-ND2 2.96Å
327	C	92.3	Very high	94.5	Very high	44 Å²	44	74.8 Å²	74.8	30%	0.297	39%	0.388	S	S	.	.			trans	-128.4	119.7	175.1	-57.4	0	0	0	0	109.3	S133 P325 D332	S133-C327 PolarHBondContact OG-SG 3.39Å; P325-C327 PolarHBondContact O-N 3.23Å; C327-D332 WeakPolarHBondContact CA-OD2 3.14Å
328	R	91.8	Very high	94.3	Very high	221 Å²	221	78.3 Å²	78.3	83%	0.834	41%	0.41	S	S	*	.	S	Bend	trans	-81.7	-14.4	-177.6	-58.1	178.8	-161	-174.7	5.2	113.3	D332	R328-D332 HydrophobicContact CB-CB 4.34Å; R328-D332 WeakPolarHBondContact CB-OD2 3.37Å; R328-D332 WeakPolarHBondContact CG-OD2 3.4Å; R328-D332 PolarHBondContact N-OD2 2.79Å
329	G	92.4	Very high	94.2	Very high	29 Å²	29	74.9 Å²	74.9	30%	0.299	39%	0.393	S	S	.	.	S	Bend	trans	172	179.5	179	0	0	0	0	0	112.8	G331 D332	G329-G331 VanDerWaalsContact C-N 3.27Å; G329-G331 PolarHBondContact O-N 3.29Å; G329-D332 VanDerWaalsContact O-CB 3.31Å; G329-D332 WeakPolarHBondContact O-CB 3.19Å; G329-D332 PolarHBondContact O-N 3.21Å; G329-D332 VanDerWaalsContact O-N 3.1Å
330	P	91.5	Very high	94	Very high	105 Å²	105	79.7 Å²	79.7	68%	0.682	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-26.9	-173.1	-25.8	35.5	0	0	0	115.4	Y77 F131	Y77-P330 HydrophobicContact CD2-CB 3.77Å; Y77-P330 HydrophobicContact CE2-CB 4.04Å; F131-P330 WeakPolarHBondContact CD1-O 3.41Å; F131-P330 WeakPolarHBondContact CE1-O 3.38Å
331	G	94.4	Very high	93.8	Very high	23 Å²	23	75.3 Å²	75.3	24%	0.237	39%	0.394	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104	15.3	177	0	0	0	0	0	113.8	L68 G329 A333	L68-G331 WeakPolarHBondContact CD2-O 3.42Å; G329-G331 VanDerWaalsContact C-N 3.27Å; G329-G331 PolarHBondContact O-N 3.29Å; G331-A333 PolarHBondContact O-N 3.01Å
332	D	95.4	Very high	93.4	Very high	23 Å²	23	80.3 Å²	80.3	12%	0.123	42%	0.415	C	S	.	.			trans	-72.9	113.8	-179.3	-177.1	13.6	0	0	0	111	F131 C327 R328 G329 S334	F131-D332 WeakPolarHBondContact CZ-O 3.3Å; C327-D332 WeakPolarHBondContact CA-OD2 3.14Å; R328-D332 HydrophobicContact CB-CB 4.34Å; R328-D332 WeakPolarHBondContact CB-OD2 3.37Å; R328-D332 WeakPolarHBondContact CG-OD2 3.4Å; R328-D332 PolarHBondContact N-OD2 2.79Å; G329-D332 VanDerWaalsContact O-CB 3.31Å; G329-D332 WeakPolarHBondContact O-CB 3.19Å; G329-D332 PolarHBondContact O-N 3.21Å; G329-D332 VanDerWaalsContact O-N 3.1Å; D332-S334 VanDerWaalsContact CG-OG 3.27Å; D332-S334 WeakPolarHBondContact OD1-CB 3.18Å; D332-S334 PolarHBondContact OD1-N 3.36Å; D332-S334 PolarHBondContact OD1-OG 3.48Å; D332-S334 PolarHBondContact OD2-OG 3.46Å; D332-S334 VanDerWaalsContact OD2-OG 3.08Å
333	A	94.5	Very high	93.1	Very high	11 Å²	11	82 Å²	82	9%	0.091	43%	0.426	C	S	.	.			trans	-105.7	21.1	176	0	0	0	0	0	112.9	K56 L58 L68 F131 G331 N335 F336	K56-A333 HydrophobicContact CD-CB 4.3Å; L58-A333 HydrophobicContact CD2-CB 3.68Å; L68-A333 HydrophobicContact CD2-CB 4.2Å; F131-A333 HydrophobicContact CZ-CB 4.37Å; G331-A333 PolarHBondContact O-N 3.01Å; A333-N335 PolarHBondContact O-N 3.37Å; A333-F336 HydrophobicContact CB-CD2 4.28Å; A333-F336 PolarHBondContact O-N 3.07Å; A333-F336 VanDerWaalsContact O-N 3.09Å
334	S	94.4	Very high	93	Very high	65 Å²	65	82.1 Å²	82.1	46%	0.455	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-11.8	-178.8	62.4	0	0	0	0	114.8	D332 F336	D332-S334 VanDerWaalsContact CG-OG 3.27Å; D332-S334 WeakPolarHBondContact OD1-CB 3.18Å; D332-S334 PolarHBondContact OD1-N 3.36Å; D332-S334 PolarHBondContact OD1-OG 3.48Å; D332-S334 PolarHBondContact OD2-OG 3.46Å; D332-S334 VanDerWaalsContact OD2-OG 3.08Å; S334-F336 VanDerWaalsContact C-N 3.31Å
335	N	94.2	Very high	92.8	Very high	26 Å²	26	86.7 Å²	86.7	14%	0.139	44%	0.438	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	4.9	171	-62.1	-60.4	0	0	0	113.4	S133 G134 K326 A333	S133-N335 PolarHBondContact O-ND2 3.26Å; G134-N335 WeakPolarHBondContact O-CB 3.16Å; K326-N335 PolarHBondContact O-ND2 2.96Å; A333-N335 PolarHBondContact O-N 3.37Å
336	F	91.8	Very high	92.9	Very high	26 Å²	26	90.1 Å²	90.1	11%	0.114	46%	0.455	C	S	.	.	S	Bend	trans	-115.6	148.2	177.2	-64.4	-93.7	0	0	0	110.4	L58 F131 I132 A333 S334	L58-F336 HydrophobicContact CB-CD1 4.14Å; L58-F336 HydrophobicContact CB-CE1 4.46Å; L58-F336 HydrophobicContact CD2-CB 4.2Å; L58-F336 HydrophobicContact CD2-CD1 4.24Å; L58-F336 HydrophobicContact CD2-CD2 3.87Å; L58-F336 HydrophobicContact CD2-CE2 4.28Å; L58-F336 HydrophobicContact CD2-CG 3.84Å; F131-F336 HydrophobicContact CE2-CD2 4.37Å; F131-F336 AromaticContact CE2-CE2 3.62Å; F131-F336 HydrophobicContact CE2-CE2 3.62Å; F131-F336 HydrophobicContact CE2-CZ 4.03Å; F131-F336 AromaticContact CZ-CE2 3.96Å; F131-F336 HydrophobicContact CZ-CE2 3.96Å; I132-F336 VanDerWaalsContact O-CZ 3.25Å; I132-F336 WeakPolarHBondContact O-CZ 3.27Å; A333-F336 HydrophobicContact CB-CD2 4.28Å; A333-F336 PolarHBondContact O-N 3.07Å; A333-F336 VanDerWaalsContact O-N 3.09Å; S334-F336 VanDerWaalsContact C-N 3.31Å
337	D	90.9	Very high	93	Very high	104 Å²	104	83 Å²	83	56%	0.556	43%	0.428	S	S	*	.			trans	-64.2	164	176	-67.2	-23.5	0	0	0	111.6	K56 Y339	K56-D337 WeakPolarHBondContact CE-O 3.48Å; K56-D337 PolarHBondContact NZ-O 3.25Å; K56-D337 VanDerWaalsContact NZ-O 3.09Å; D337-Y339 HydrophobicContact CB-CE2 3.91Å
338	D	93.1	Very high	93.2	Very high	142 Å²	142	84.7 Å²	84.7	76%	0.759	45%	0.453	S	S	*	.			trans	-91.5	132.3	172.6	-67.9	-48.4	0	0	0	109.7	K56	K56-D338 WeakPolarHBondContact CE-OD1 3.36Å; K56-D338 IonicContact NZ-OD1 2.82Å; K56-D338 PolarHBondContact NZ-OD1 2.83Å
339	Y	94.6	Very high	93.5	Very high	74 Å²	74	78.2 Å²	78.2	29%	0.29	44%	0.438	S	S	.	.			trans	-122.2	155.2	179.5	-66.8	-91.4	0	0	0	110.4	T57 L58 T60 D337 E341	T57-Y339 HydrophobicContact CG2-CD2 4.27Å; T57-Y339 HydrophobicContact CG2-CG 4.05Å; L58-Y339 WeakPolarHBondContact O-CE2 3.43Å; T60-Y339 HydrophobicContact CG2-CD1 3.79Å; T60-Y339 HydrophobicContact CG2-CE1 4.33Å; T60-Y339 HydrophobicContact CG2-CG 4.33Å; D337-Y339 HydrophobicContact CB-CE2 3.91Å; Y339-E341 PolarHBondContact O-N 2.69Å
340	E	93.5	Very high	93.7	Very high	165 Å²	165	82 Å²	82	77%	0.771	45%	0.448	S	S	*	.			trans	-67.8	125.4	173.3	-168.5	176.5	177.7	0	0	110.9	R65	R65-E340 PolarHBondContact NH1-O 3.26Å
341	E	93.5	Very high	94	Very high	90 Å²	90	79.9 Å²	79.9	42%	0.421	43%	0.428	S	S	.	.			trans	-78.7	124.2	177.6	-61	-60.3	168.5	0	0	110.2	K56 T57 R65 Y339	K56-E341 WeakPolarHBondContact CA-OE1 3.29Å; T57-E341 PolarHBondContact N-OE1 2.89Å; T57-E341 PolarHBondContact OG1-OE2 3.42Å; R65-E341 IonicContact NH1-OE2 3.53Å; Y339-E341 PolarHBondContact O-N 2.69Å
342	E	89	Confident	94.1	Very high	120 Å²	120	80 Å²	80	56%	0.561	43%	0.425	S	S	*	.			trans	-110.5	140.4	173.7	-66.3	174.2	160	0	0	110	R65 L344	R65-E342 IonicContact CZ-OE2 3.79Å; R65-E342 VanDerWaalsContact NH1-N 3.15Å; R65-E342 VanDerWaalsContact NH2-CB 3.28Å; R65-E342 IonicContact NH2-OE1 2.57Å; R65-E342 IonicContact NH2-OE2 2.76Å; R65-E342 PolarHBondContact NH2-OE2 2.72Å; E342-L344 PolarHBondContact O-N 3.2Å
343	P	90.2	Very high	94.2	Very high	102 Å²	102	80.7 Å²	80.7	66%	0.662	43%	0.434	S	S	*	.			trans	-65.2	128	174.5	26.3	-32.7	0	0	0	110.7	R345	P343-R345 PolarHBondContact O-N 3.49Å
344	L	92.4	Very high	94.3	Very high	52 Å²	52	89.4 Å²	89.4	27%	0.272	47%	0.47	S	S	.	.			trans	-71.2	112.2	174.2	-176.1	63	0	0	0	110.1	L49 I82 N124 Y126 E342	L49-L344 HydrophobicContact CD1-CD2 4.15Å; L49-L344 HydrophobicContact CD2-CD2 3.66Å; I82-L344 HydrophobicContact CD1-CD2 4.32Å; I82-L344 HydrophobicContact CG2-CD1 3.77Å; N124-L344 WeakPolarHBondContact ND2-CD1 3.1Å; Y126-L344 HydrophobicContact CE1-CD2 4.11Å; E342-L344 PolarHBondContact O-N 3.2Å
345	R	91.9	Very high	94.4	Very high	206 Å²	206	90.3 Å²	90.3	78%	0.777	47%	0.467	S	S	*	.			trans	-96.6	126.5	179.5	-63.4	-174	-177.3	-172.1	1.1	110.9	P343	P343-R345 PolarHBondContact O-N 3.49Å
346	I	96.2	Very high	94.6	Very high	83 Å²	83	89 Å²	89	43%	0.426	46%	0.46	S	S	.	.			trans	-112	122.3	175.2	-54.7	171.9	0	0	0	108.2	L49 D121 N122	L49-I346 HydrophobicContact CD2-CD1 3.64Å; D121-I346 HydrophobicContact CB-CG2 4.33Å; D121-I346 VanDerWaalsContact OD2-CD1 3.27Å; D121-I346 WeakPolarHBondContact OD2-CD1 3.47Å; D121-I346 WeakPolarHBondContact OD2-CG1 3.41Å; N122-I346 HydrophobicContact CB-CG2 4.11Å
347	S	95.8	Very high	94.8	Very high	32 Å²	32	90.6 Å²	90.6	22%	0.224	48%	0.478	C	S	.	.			trans	-67.2	145.3	178.7	167.6	0	0	0	0	110.8	N122 S123 T349 K351	N122-S347 WeakPolarHBondContact CB-O 3.47Å; N122-S347 PolarHBondContact ND2-O 3.25Å; S123-S347 WeakPolarHBondContact OG-CB 3.09Å; S123-S347 PolarHBondContact OG-N 3.34Å; S347-T349 WeakPolarHBondContact CB-O 3.18Å; S347-T349 PolarHBondContact O-N 2.8Å; S347-T349 PolarHBondContact OG-N 3.3Å; S347-T349 PolarHBondContact OG-O 3.32Å; S347-T349 PolarHBondContact OG-OG1 3.46Å; S347-T349 VanDerWaalsContact OG-OG1 3.11Å; S347-K351 WeakPolarHBondContact OG-CE 3.34Å
348	G	96.5	Very high	94.9	Very high	80 Å²	80	91.9 Å²	91.9	83%	0.825	48%	0.48	S	S	*	.	S	Bend	trans	-69.6	-9.6	169.5	0	0	0	0	0	114
349	T	96.8	Very high	95.1	Very high	84 Å²	84	85.2 Å²	85.2	52%	0.515	44%	0.444	S	S	.	.	S	Bend	trans	-123.3	139.9	177.3	52.7	0	0	0	0	111.1	S347 K351	S347-T349 WeakPolarHBondContact CB-O 3.18Å; S347-T349 PolarHBondContact O-N 2.8Å; S347-T349 PolarHBondContact OG-N 3.3Å; S347-T349 PolarHBondContact OG-O 3.32Å; S347-T349 PolarHBondContact OG-OG1 3.46Å; S347-T349 VanDerWaalsContact OG-OG1 3.11Å; T349-K351 PolarHBondContact O-N 3.02Å; T349-K351 PolarHBondContact OG1-NZ 3.34Å
350	E	97.7	Very high	95.1	Very high	110 Å²	110	85.8 Å²	85.8	51%	0.514	45%	0.452	S	S	.	.			trans	-65.8	130.1	179.5	-167.7	176.1	-157.3	0	0	111.8	A353	E350-A353 VanDerWaalsContact CD-CB 3.46Å; E350-A353 HydrophobicContact CG-CB 3.93Å; E350-A353 WeakPolarHBondContact OE2-CB 3.42Å
351	K	97.7	Very high	95.2	Very high	59 Å²	59	81.6 Å²	81.6	26%	0.257	44%	0.435	S	S	.	.			trans	-105.6	141.4	176.5	-53.6	-51.6	-173.2	-165	0	110	K85 Q86 N122 S347 T349 A353	K85-K351 WeakPolarHBondContact CD-O 2.97Å; K85-K351 PolarHBondContact NZ-O 3.08Å; Q86-K351 HydrophobicContact CG-CB 4.15Å; Q86-K351 HydrophobicContact CG-CG 4.32Å; N122-K351 VanDerWaalsContact O-CB 3.3Å; N122-K351 WeakPolarHBondContact O-CB 3.3Å; N122-K351 WeakPolarHBondContact O-CG 3.5Å; N122-K351 PolarHBondContact O-N 3.42Å; S347-K351 WeakPolarHBondContact OG-CE 3.34Å; T349-K351 PolarHBondContact O-N 3.02Å; T349-K351 PolarHBondContact OG1-NZ 3.34Å; K351-A353 PolarHBondContact O-N 2.95Å; K351-A353 VanDerWaalsContact O-N 3.15Å
352	C	96.9	Very high	95.3	Very high	25 Å²	25	81.1 Å²	81.1	17%	0.169	44%	0.436	C	S	.	.	S	Bend	trans	53	36.6	170.8	-50.1	0	0	0	0	114.1	K85 V89 K354 E355 F356	K85-C352 HydrophobicContact CB-CB 4.05Å; K85-C352 HydrophobicContact CD-CB 4.45Å; V89-C352 HydrophobicContact CG2-CB 4.06Å; C352-K354 VanDerWaalsContact C-N 3.31Å; C352-K354 PolarHBondContact O-N 2.76Å; C352-E355 WeakPolarHBondContact CA-OE2 3.43Å; C352-E355 HydrophobicContact CB-CB 4.35Å; C352-E355 PolarHBondContact O-N 3.17Å; C352-F356 HydrophobicContact CB-CD2 3.63Å; C352-F356 HydrophobicContact CB-CE2 3.67Å; C352-F356 WeakPolarHBondContact O-CD2 3.44Å; C352-F356 PolarHBondContact O-N 3.31Å; C352-F356 VanDerWaalsContact O-N 3.17Å
353	A	96.2	Very high	95.7	Very high	38 Å²	38	78.8 Å²	78.8	31%	0.314	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-40.6	-174.6	0	0	0	0	0	112.3	E350 K351 A357	E350-A353 VanDerWaalsContact CD-CB 3.46Å; E350-A353 HydrophobicContact CG-CB 3.93Å; E350-A353 WeakPolarHBondContact OE2-CB 3.42Å; K351-A353 PolarHBondContact O-N 2.95Å; K351-A353 VanDerWaalsContact O-N 3.15Å; A353-A357 WeakPolarHBondContact O-CA 3.46Å; A353-A357 PolarHBondContact O-N 2.95Å; A353-A357 VanDerWaalsContact O-N 3.09Å
354	K	96.9	Very high	96	Very high	194 Å²	194	77.4 Å²	77.4	84%	0.843	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-42.2	-179.1	-67.5	-174.6	179.1	-178.3	0	111.4	C352 F356	C352-K354 VanDerWaalsContact C-N 3.31Å; C352-K354 PolarHBondContact O-N 2.76Å; K354-F356 VanDerWaalsContact C-N 3.3Å; K354-F356 PolarHBondContact O-N 2.9Å
355	E	97.7	Very high	96.3	Very high	84 Å²	84	79.1 Å²	79.1	39%	0.393	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-32.7	-177.6	-63.7	89.8	152.1	0	0	112.3	V89 V94 C352	V89-E355 HydrophobicContact CG2-CB 4.29Å; V89-E355 HydrophobicContact CG2-CG 4.17Å; V94-E355 HydrophobicContact CG1-CB 4.17Å; V94-E355 WeakPolarHBondContact CG1-O 3.42Å; V94-E355 HydrophobicContact CG2-CB 4.44Å; C352-E355 WeakPolarHBondContact CA-OE2 3.43Å; C352-E355 HydrophobicContact CB-CB 4.35Å; C352-E355 PolarHBondContact O-N 3.17Å
356	F	97.3	Very high	96.6	Very high	0 Å²	0	70 Å²	70	0%	0	40%	0.399	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.9	26.3	-178.3	-57.8	-67.8	0	0	0	113.2	K85 V88 V89 V94 L98 K120 L125 C352 K354 E358 F359	K85-F356 HydrophobicContact CB-CD2 4.05Å; K85-F356 HydrophobicContact CB-CE2 3.74Å; K85-F356 HydrophobicContact CD-CD2 4.03Å; K85-F356 HydrophobicContact CG-CD2 3.8Å; K85-F356 HydrophobicContact CG-CE2 3.93Å; V88-F356 HydrophobicContact CB-CZ 3.85Å; V88-F356 HydrophobicContact CG1-CE1 3.87Å; V88-F356 HydrophobicContact CG1-CZ 3.52Å; V89-F356 HydrophobicContact CG2-CE2 3.8Å; V89-F356 HydrophobicContact CG2-CZ 4.04Å; V94-F356 HydrophobicContact CB-CE1 4.33Å; V94-F356 HydrophobicContact CG1-CD1 4.38Å; V94-F356 HydrophobicContact CG1-CE1 3.93Å; V94-F356 HydrophobicContact CG1-CZ 4.41Å; V94-F356 HydrophobicContact CG2-CE1 4.25Å; V94-F356 HydrophobicContact CG2-CZ 3.97Å; L98-F356 HydrophobicContact CD2-CD1 4.34Å; K120-F356 PolarHBondContact NZ-O 3.5Å; L125-F356 HydrophobicContact CD1-CD1 3.57Å; L125-F356 HydrophobicContact CD1-CD2 4.41Å; L125-F356 HydrophobicContact CD1-CE1 3.6Å; L125-F356 HydrophobicContact CD1-CE2 4.43Å; L125-F356 HydrophobicContact CD1-CG 4Å; L125-F356 HydrophobicContact CD1-CZ 4.05Å; L125-F356 HydrophobicContact CD2-CB 3.95Å; L125-F356 HydrophobicContact CD2-CD1 4.27Å; L125-F356 HydrophobicContact CD2-CD2 4.41Å; L125-F356 HydrophobicContact CD2-CG 3.96Å; C352-F356 HydrophobicContact CB-CD2 3.63Å; C352-F356 HydrophobicContact CB-CE2 3.67Å; C352-F356 WeakPolarHBondContact O-CD2 3.44Å; C352-F356 PolarHBondContact O-N 3.31Å; C352-F356 VanDerWaalsContact O-N 3.17Å; K354-F356 VanDerWaalsContact C-N 3.3Å; K354-F356 PolarHBondContact O-N 2.9Å; F356-E358 VanDerWaalsContact C-N 3.26Å; F356-E358 PolarHBondContact O-N 2.93Å; F356-F359 HydrophobicContact CB-CB 4.13Å; F356-F359 WeakPolarHBondContact O-CB 3.45Å; F356-F359 PolarHBondContact O-N 2.91Å; F356-F359 VanDerWaalsContact O-N 3.17Å
357	A	96.2	Very high	96.6	Very high	58 Å²	58	69 Å²	69	48%	0.479	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-41.3	179.7	0	0	0	0	0	111.8	K120 A353 F359	K120-A357 PolarHBondContact NZ-O 2.79Å; A353-A357 WeakPolarHBondContact O-CA 3.46Å; A353-A357 PolarHBondContact O-N 2.95Å; A353-A357 VanDerWaalsContact O-N 3.09Å; A357-F359 PolarHBondContact O-N 3.14Å
358	E	94	Very high	96.7	Very high	131 Å²	131	72.1 Å²	72.1	61%	0.612	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-5.3	-178.6	-61.7	-173.1	176.2	0	0	114.9	Q44 F356	Q44-E358 PolarHBondContact NE2-O 3.09Å; F356-E358 VanDerWaalsContact C-N 3.26Å; F356-E358 PolarHBondContact O-N 2.93Å
359	F	96	Very high	96.7	Very high	2 Å²	2	71.4 Å²	71.4	1%	0.009	37%	0.373	C	S	.	.			trans	-63.4	0	178.7	-170	-80.2	0	0	0	111.2	T97 L98 K101 F119 K120 L125 M127 F356 A357	T97-F359 HydrophobicContact CG2-CD2 4.48Å; T97-F359 HydrophobicContact CG2-CE2 4.13Å; L98-F359 HydrophobicContact CD2-CB 3.99Å; L98-F359 HydrophobicContact CD2-CD2 4.3Å; K101-F359 HydrophobicContact CB-CD2 4.23Å; K101-F359 HydrophobicContact CB-CE2 3.78Å; K101-F359 HydrophobicContact CB-CZ 4.27Å; K101-F359 WeakPolarHBondContact CD-OXT 3.29Å; K101-F359 WeakPolarHBondContact CE-OXT 3.26Å; K101-F359 HydrophobicContact CG-CD2 4.27Å; K101-F359 HydrophobicContact CG-CE1 4.38Å; K101-F359 HydrophobicContact CG-CE2 3.87Å; K101-F359 HydrophobicContact CG-CZ 3.92Å; K101-F359 PolarHBondContact NZ-OXT 3.41Å; F119-F359 WeakPolarHBondContact O-CE1 3.34Å; K120-F359 HydrophobicContact CB-CD1 4.37Å; K120-F359 HydrophobicContact CD-CB 4.21Å; K120-F359 PolarHBondContact NZ-O 3.02Å; L125-F359 HydrophobicContact CB-CD1 4.39Å; L125-F359 HydrophobicContact CB-CD2 4.27Å; L125-F359 HydrophobicContact CB-CE1 3.95Å; L125-F359 HydrophobicContact CB-CE2 3.8Å; L125-F359 HydrophobicContact CB-CZ 3.63Å; L125-F359 HydrophobicContact CD1-CD2 3.83Å; L125-F359 HydrophobicContact CD1-CE2 3.9Å; L125-F359 HydrophobicContact CD1-CG 4.44Å; L125-F359 HydrophobicContact CD2-CB 4.16Å; L125-F359 HydrophobicContact CD2-CD1 3.91Å; L125-F359 HydrophobicContact CD2-CD2 3.97Å; L125-F359 HydrophobicContact CD2-CE1 4.32Å; L125-F359 HydrophobicContact CD2-CE2 4.36Å; L125-F359 HydrophobicContact CD2-CG 3.73Å; L125-F359 HydrophobicContact CG-CD2 4.24Å; L125-F359 HydrophobicContact CG-CE2 4.23Å; L125-F359 HydrophobicContact CG-CG 4.46Å; L125-F359 HydrophobicContact CG-CZ 4.45Å; M127-F359 HydrophobicContact CG-CZ 3.84Å; F356-F359 HydrophobicContact CB-CB 4.13Å; F356-F359 WeakPolarHBondContact O-CB 3.45Å; F356-F359 PolarHBondContact O-N 2.91Å; F356-F359 VanDerWaalsContact O-N 3.17Å; A357-F359 PolarHBondContact O-N 3.14Å

Retrieved 359 of 359 residues in 2055.2 ms (Link to these results)

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