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Isoform k 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 P21137-11 (canonical: P21137), Species CAEEL (Caenorhabditis elegans), Gene kin-1, Length 386 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	36	Very low	36.9	Very low	245 Å²	245	148.5 Å²	148.5	100%	1.207	78%	0.782	S	S	*	*				0	91.3	0	-76.9	-169.3	-113.2	0	0	108.7	S3	M1-S3 PolarHBondContact O-N 3.14Å
2	L	34.5	Very low	37.2	Very low	185 Å²	185	150.8 Å²	150.8	97%	0.969	78%	0.78	S	S	*	*			trans	-87.7	109.5	172.7	-79.5	163	0	0	0	107.9	S4	L2-S4 PolarHBondContact O-N 2.78Å
3	S	33.5	Very low	37.8	Very low	100 Å²	100	148.4 Å²	148.4	70%	0.699	76%	0.763	S	S	*	*			trans	-61.8	114.1	-177.2	172.5	0	0	0	0	111.6	M1 S5	M1-S3 PolarHBondContact O-N 3.14Å; S3-S5 VanDerWaalsContact C-N 3.31Å; S3-S5 PolarHBondContact O-N 2.68Å
4	S	34.6	Very low	38.2	Very low	122 Å²	122	149.9 Å²	149.9	85%	0.853	75%	0.754	S	S	*	*			trans	-71.2	80.7	169	61.8	0	0	0	0	110.1	L2	L2-S4 PolarHBondContact O-N 2.78Å
5	S	34.3	Very low	38.8	Very low	81 Å²	81	150.2 Å²	150.2	57%	0.566	75%	0.749	S	S	*	*			trans	-104	3.2	-176.2	56	0	0	0	0	115.8	S3	S3-S5 VanDerWaalsContact C-N 3.31Å; S3-S5 PolarHBondContact O-N 2.68Å
6	F	36.2	Very low	39	Very low	199 Å²	199	147.4 Å²	147.4	87%	0.873	74%	0.737	S	S	*	*	S	Bend	trans	-98.8	5	-173.9	-101.8	-89.2	0	0	0	117.8
7	F	34.7	Very low	39.4	Very low	193 Å²	193	145.9 Å²	145.9	85%	0.846	73%	0.727	S	S	*	*			trans	-106.5	19.3	-179.8	-92.7	-76.5	0	0	0	116.1	G9	F7-G9 PolarHBondContact O-N 3.3Å
8	R	36.3	Very low	40	Very low	248 Å²	248	140.8 Å²	140.8	94%	0.936	71%	0.712	S	S	*	*			trans	-95.1	60	174.7	-79.6	-172.9	174.9	-174.9	-0	112.9
9	G	39	Very low	40.2	Very low	46 Å²	46	137.9 Å²	137.9	47%	0.474	70%	0.698	S	S	.	*			trans	-76.7	117.1	148.2	0	0	0	0	0	107.1	F7	F7-G9 PolarHBondContact O-N 3.3Å
10	S	43.2	Very low	40.4	Very low	57 Å²	57	138.7 Å²	138.7	40%	0.399	70%	0.697	S	S	.	*			trans	-68.1	141.4	-169.4	80.6	0	0	0	0	110.5	K12 E13	S10-K12 PolarHBondContact O-N 3.14Å; S10-E13 PolarHBondContact N-OE2 3.02Å; S10-E13 VanDerWaalsContact N-OE2 3.15Å; S10-E13 PolarHBondContact O-N 3.32Å
11	M	44.2	Very low	40.6	Very low	158 Å²	158	137.2 Å²	137.2	78%	0.778	69%	0.691	S	S	*	*	H	α-helix	trans	-53.5	-20.9	177.1	-162.4	-173.7	-69.7	0	0	113.1	K15	M11-K15 PolarHBondContact O-N 3.19Å
12	K	40.4	Very low	41.1	Very low	175 Å²	175	130.7 Å²	130.7	76%	0.761	66%	0.657	S	S	*	*	H	α-helix	trans	-69.8	-40	173.1	-85.8	-177.3	173.3	179.2	0	113.2	S10 K15 N16	S10-K12 PolarHBondContact O-N 3.14Å; K12-K15 PolarHBondContact O-N 3.47Å; K12-N16 PolarHBondContact O-N 2.91Å
13	E	44.4	Very low	41.4	Very low	120 Å²	120	127.9 Å²	127.9	56%	0.561	64%	0.637	S	S	*	*	H	α-helix	trans	-67.3	-44.3	179.3	-73	164.1	153.3	0	0	110.6	S10 K15 N16 E17	S10-E13 PolarHBondContact N-OE2 3.02Å; S10-E13 VanDerWaalsContact N-OE2 3.15Å; S10-E13 PolarHBondContact O-N 3.32Å; E13-K15 VanDerWaalsContact C-N 3.32Å; E13-K15 PolarHBondContact O-N 2.91Å; E13-N16 PolarHBondContact O-N 3Å; E13-N16 VanDerWaalsContact O-N 3.12Å; E13-E17 WeakPolarHBondContact O-CB 3.42Å; E13-E17 PolarHBondContact O-N 3.41Å
14	R	44.1	Very low	41.9	Very low	169 Å²	169	127 Å²	127	64%	0.638	63%	0.631	S	S	*	*	H	α-helix	trans	-60	-38.5	175.1	-69.8	-174.4	179.9	-178	0	112.8	A18	R14-A18 VanDerWaalsContact O-CB 3.26Å; R14-A18 WeakPolarHBondContact O-CB 3.44Å; R14-A18 PolarHBondContact O-N 2.96Å
15	K	46.1	Very low	42.3	Very low	155 Å²	155	128.6 Å²	128.6	67%	0.674	62%	0.623	S	S	*	*	H	α-helix	trans	-66	-42.6	174.1	-85.3	-173.7	174.1	-178.3	0	112.2	M11 K12 E13 L19	M11-K15 PolarHBondContact O-N 3.19Å; K12-K15 PolarHBondContact O-N 3.47Å; E13-K15 VanDerWaalsContact C-N 3.32Å; E13-K15 PolarHBondContact O-N 2.91Å; K15-L19 WeakPolarHBondContact O-CB 3.46Å; K15-L19 PolarHBondContact O-N 3.1Å
16	N	42.8	Very low	42.8	Very low	105 Å²	105	127 Å²	127	56%	0.561	60%	0.604	S	S	*	*	H	α-helix	trans	-68.5	-37.1	179.2	-106.2	-0.1	0	0	0	112.4	K12 E13 L19 K20	K12-N16 PolarHBondContact O-N 2.91Å; E13-N16 PolarHBondContact O-N 3Å; E13-N16 VanDerWaalsContact O-N 3.12Å; N16-L19 PolarHBondContact O-N 3.29Å; N16-K20 WeakPolarHBondContact O-CB 3.49Å; N16-K20 WeakPolarHBondContact O-CG 3.33Å; N16-K20 PolarHBondContact O-N 3.34Å
17	E	46.2	Very low	43.1	Very low	122 Å²	122	123.9 Å²	123.9	57%	0.57	60%	0.596	S	S	*	*	H	α-helix	trans	-72.9	-40.8	178.7	-161.5	163.3	-149.1	0	0	111.7	E13 L19 K20 N21	E13-E17 WeakPolarHBondContact O-CB 3.42Å; E13-E17 PolarHBondContact O-N 3.41Å; E17-L19 VanDerWaalsContact C-N 3.31Å; E17-L19 PolarHBondContact O-N 2.98Å; E17-K20 PolarHBondContact O-N 3.33Å; E17-N21 WeakPolarHBondContact O-CB 3.44Å; E17-N21 PolarHBondContact O-N 2.67Å
18	A	50	Low	43.8	Very low	55 Å²	55	117.1 Å²	117.1	46%	0.455	57%	0.572	S	S	.	*	H	α-helix	trans	-59.1	-41.8	169.3	0	0	0	0	0	111.7	R14 H22	R14-A18 VanDerWaalsContact O-CB 3.26Å; R14-A18 WeakPolarHBondContact O-CB 3.44Å; R14-A18 PolarHBondContact O-N 2.96Å; A18-H22 WeakPolarHBondContact O-CB 3.47Å; A18-H22 PolarHBondContact O-N 3.31Å
19	L	43.6	Very low	44.5	Very low	85 Å²	85	108 Å²	108	45%	0.445	56%	0.555	S	S	.	*	H	α-helix	trans	-68.3	-37.6	177.2	-158.5	79.4	0	0	0	112.5	K15 N16 E17 K23	K15-L19 WeakPolarHBondContact O-CB 3.46Å; K15-L19 PolarHBondContact O-N 3.1Å; N16-L19 PolarHBondContact O-N 3.29Å; E17-L19 VanDerWaalsContact C-N 3.31Å; E17-L19 PolarHBondContact O-N 2.98Å; L19-K23 WeakPolarHBondContact O-CB 3.38Å; L19-K23 WeakPolarHBondContact O-CG 3.32Å; L19-K23 PolarHBondContact O-N 3.41Å
20	K	45	Very low	45.7	Very low	153 Å²	153	107.9 Å²	107.9	67%	0.665	55%	0.554	S	S	*	*	H	α-helix	trans	-66.6	-45.5	174.5	-81.3	-178.4	177.6	-177.6	0	111.7	N16 E17 H22 K23 S24	N16-K20 WeakPolarHBondContact O-CB 3.49Å; N16-K20 WeakPolarHBondContact O-CG 3.33Å; N16-K20 PolarHBondContact O-N 3.34Å; E17-K20 PolarHBondContact O-N 3.33Å; K20-H22 VanDerWaalsContact C-N 3.33Å; K20-H22 PolarHBondContact O-N 3.31Å; K20-K23 PolarHBondContact O-N 2.91Å; K20-S24 WeakPolarHBondContact O-CB 3.2Å; K20-S24 PolarHBondContact O-N 3.32Å
21	N	44.7	Very low	46.8	Very low	109 Å²	109	106.4 Å²	106.4	58%	0.583	54%	0.54	S	S	*	.	H	α-helix	trans	-66.3	-35.5	177.4	-72.4	-15.3	0	0	0	111.8	E17 K25	E17-N21 WeakPolarHBondContact O-CB 3.44Å; E17-N21 PolarHBondContact O-N 2.67Å; N21-K25 PolarHBondContact O-N 2.85Å
22	H	45.4	Very low	47.9	Very low	107 Å²	107	104 Å²	104	50%	0.495	53%	0.529	S	S	.	.	H	α-helix	trans	-67.7	-45.1	173	-115.6	-70.9	0	0	0	112.6	A18 K20 S24 K25 Y26	A18-H22 WeakPolarHBondContact O-CB 3.47Å; A18-H22 PolarHBondContact O-N 3.31Å; K20-H22 VanDerWaalsContact C-N 3.33Å; K20-H22 PolarHBondContact O-N 3.31Å; H22-S24 VanDerWaalsContact C-N 3.31Å; H22-S24 PolarHBondContact O-N 3.31Å; H22-K25 PolarHBondContact O-N 3.18Å; H22-Y26 AromaticContact ND1-CE2 3.68Å; H22-Y26 VanDerWaalsContact O-CD2 3.26Å; H22-Y26 WeakPolarHBondContact O-CD2 3.44Å
23	K	40.6	Very low	49.6	Very low	127 Å²	127	99.9 Å²	99.9	55%	0.552	51%	0.513	S	S	*	.	H	α-helix	trans	-62.3	-38.3	176.2	-78.3	-176.7	176.3	-173.5	0	112.4	L19 K20 K25 Y26 I27	L19-K23 WeakPolarHBondContact O-CB 3.38Å; L19-K23 WeakPolarHBondContact O-CG 3.32Å; L19-K23 PolarHBondContact O-N 3.41Å; K20-K23 PolarHBondContact O-N 2.91Å; K23-K25 VanDerWaalsContact C-N 3.29Å; K23-K25 PolarHBondContact O-N 3.15Å; K23-Y26 PolarHBondContact O-N 3.41Å; K23-I27 WeakPolarHBondContact O-CG1 3.22Å; K23-I27 PolarHBondContact O-N 2.9Å
24	S	43.5	Very low	51.4	Low	80 Å²	80	98 Å²	98	56%	0.559	51%	0.51	S	S	*	.	H	α-helix	trans	-63.2	-34.7	178.5	-166.9	0	0	0	0	112.5	K20 H22 Y26 S28	K20-S24 WeakPolarHBondContact O-CB 3.2Å; K20-S24 PolarHBondContact O-N 3.32Å; H22-S24 VanDerWaalsContact C-N 3.31Å; H22-S24 PolarHBondContact O-N 3.31Å; S24-Y26 PolarHBondContact O-N 3.23Å; S24-S28 PolarHBondContact O-N 3.11Å
25	K	43.8	Very low	53.3	Low	157 Å²	157	91.4 Å²	91.4	68%	0.683	49%	0.488	S	S	*	.	H	α-helix	trans	-67.7	-36.9	-179.9	-143.4	175.7	-175.7	-178.2	0	113.1	N21 H22 K23 S28	N21-K25 PolarHBondContact O-N 2.85Å; H22-K25 PolarHBondContact O-N 3.18Å; K23-K25 VanDerWaalsContact C-N 3.29Å; K23-K25 PolarHBondContact O-N 3.15Å; K25-S28 WeakPolarHBondContact O-CB 3.34Å; K25-S28 PolarHBondContact O-OG 3.41Å
26	Y	44.4	Very low	55.3	Low	46 Å²	46	89 Å²	89	18%	0.18	48%	0.478	C	S	.	.	H	α-helix	trans	-82.8	-25	179	-67.8	-72.7	0	0	0	114.2	H22 K23 S24 S28 Y31 D321	H22-Y26 AromaticContact ND1-CE2 3.68Å; H22-Y26 VanDerWaalsContact O-CD2 3.26Å; H22-Y26 WeakPolarHBondContact O-CD2 3.44Å; K23-Y26 PolarHBondContact O-N 3.41Å; S24-Y26 PolarHBondContact O-N 3.23Å; Y26-S28 VanDerWaalsContact C-N 3.27Å; Y26-Y31 AromaticContact CD1-CD2 3.91Å; Y26-Y31 HydrophobicContact CD1-CD2 3.91Å; Y26-Y31 AromaticContact CD1-CE2 3.95Å; Y26-Y31 HydrophobicContact CD1-CE2 3.95Å; Y26-Y31 HydrophobicContact CD1-CG 4.34Å; Y26-Y31 HydrophobicContact CE1-CD2 4.28Å; Y26-Y31 HydrophobicContact CE1-CE2 4.13Å; Y26-D321 VanDerWaalsContact OH-CA 3.23Å; Y26-D321 WeakPolarHBondContact OH-CA 3.48Å; Y26-D321 VanDerWaalsContact OH-CB 3.29Å; Y26-D321 WeakPolarHBondContact OH-CB 3.36Å; Y26-D321 PolarHBondContact OH-OD1 3.32Å; Y26-D321 PolarHBondContact OH-OD2 3.25Å
27	I	43.6	Very low	57.6	Low	135 Å²	135	89.7 Å²	89.7	69%	0.692	48%	0.477	S	S	*	.	H	α-helix	trans	-82.1	-8.2	172.7	-61.7	175.8	0	0	0	111.3	K23 G29	K23-I27 WeakPolarHBondContact O-CG1 3.22Å; K23-I27 PolarHBondContact O-N 2.9Å; I27-G29 PolarHBondContact O-N 3.05Å
28	S	48.7	Very low	59.7	Low	51 Å²	51	87 Å²	87	36%	0.357	46%	0.464	S	S	.	.	S	Bend	trans	-65.5	133.6	175.4	78	0	0	0	0	111	S24 K25 Y26 G30 Y31	S24-S28 PolarHBondContact O-N 3.11Å; K25-S28 WeakPolarHBondContact O-CB 3.34Å; K25-S28 PolarHBondContact O-OG 3.41Å; Y26-S28 VanDerWaalsContact C-N 3.27Å; S28-G30 PolarHBondContact O-N 3.25Å; S28-Y31 PolarHBondContact O-N 2.64Å; S28-Y31 VanDerWaalsContact O-N 3.09Å
29	G	51.4	Low	61.7	Low	55 Å²	55	85.7 Å²	85.7	57%	0.567	45%	0.449	S	S	*	.	H	α-helix	trans	-52.6	-23.8	178.8	0	0	0	0	0	114	I27 E33	I27-G29 PolarHBondContact O-N 3.05Å; G29-E33 WeakPolarHBondContact O-CB 3.45Å; G29-E33 PolarHBondContact O-N 2.95Å
30	G	62.8	Low	64.1	Low	44 Å²	44	84.7 Å²	84.7	45%	0.454	44%	0.444	S	S	.	.	H	α-helix	trans	-63.4	-40.6	176.4	0	0	0	0	0	114.5	S28 T34	S28-G30 PolarHBondContact O-N 3.25Å; G30-T34 WeakPolarHBondContact O-CB 3.24Å; G30-T34 PolarHBondContact O-N 2.68Å; G30-T34 PolarHBondContact O-OG1 3.24Å
31	Y	66.4	Low	66.5	Low	27 Å²	27	84 Å²	84	11%	0.106	44%	0.441	C	S	.	.	H	α-helix	trans	-64.2	-48.3	178.4	171.8	-90.8	0	0	0	111.3	Y26 S28 E33 T34 V35 K312 W322 I323	Y26-Y31 AromaticContact CD1-CD2 3.91Å; Y26-Y31 HydrophobicContact CD1-CD2 3.91Å; Y26-Y31 AromaticContact CD1-CE2 3.95Å; Y26-Y31 HydrophobicContact CD1-CE2 3.95Å; Y26-Y31 HydrophobicContact CD1-CG 4.34Å; Y26-Y31 HydrophobicContact CE1-CD2 4.28Å; Y26-Y31 HydrophobicContact CE1-CE2 4.13Å; S28-Y31 PolarHBondContact O-N 2.64Å; S28-Y31 VanDerWaalsContact O-N 3.09Å; Y31-E33 VanDerWaalsContact C-N 3.33Å; Y31-E33 PolarHBondContact O-N 3.11Å; Y31-T34 PolarHBondContact O-N 3.01Å; Y31-V35 HydrophobicContact CD1-CG2 4.33Å; Y31-V35 HydrophobicContact CE1-CG2 3.84Å; Y31-V35 HydrophobicContact CE2-CG2 4.06Å; Y31-V35 WeakPolarHBondContact O-CG2 3.46Å; Y31-V35 PolarHBondContact O-N 3.29Å; Y31-K312 PolarHBondContact OH-NZ 2.85Å; Y31-W322 HydrophobicContact CE2-CB 4.38Å; Y31-W322 WeakPolarHBondContact OH-CB 3.45Å; Y31-I323 HydrophobicContact CD2-CD1 3.47Å; Y31-I323 VanDerWaalsContact CD2-CD1 3.47Å; Y31-I323 HydrophobicContact CD2-CG1 4.07Å; Y31-I323 HydrophobicContact CE2-CD1 3.71Å; Y31-I323 HydrophobicContact CE2-CG1 3.75Å
32	L	69	Low	68.8	Low	107 Å²	107	79.2 Å²	79.2	56%	0.56	42%	0.417	S	S	*	.	H	α-helix	trans	-64.2	-40.6	-179.3	-70.3	173.2	0	0	0	111.1	V35 K36	L32-V35 PolarHBondContact O-N 3.34Å; L32-K36 VanDerWaalsContact O-CB 3.24Å; L32-K36 WeakPolarHBondContact O-CB 3.39Å; L32-K36 PolarHBondContact O-N 3.41Å
33	E	75	Confident	71.2	Confident	88 Å²	88	80 Å²	80	41%	0.411	42%	0.416	S	S	.	.	H	α-helix	trans	-66.1	-43.4	176.8	-151.5	63.4	-157.1	0	0	111.2	G29 Y31 V35 K36 E37	G29-E33 WeakPolarHBondContact O-CB 3.45Å; G29-E33 PolarHBondContact O-N 2.95Å; Y31-E33 VanDerWaalsContact C-N 3.33Å; Y31-E33 PolarHBondContact O-N 3.11Å; E33-V35 PolarHBondContact O-N 3.07Å; E33-K36 PolarHBondContact O-N 2.92Å; E33-K36 IonicContact OE1-NZ 3.93Å; E33-K36 PolarHBondContact OE1-NZ 3.38Å; E33-E37 WeakPolarHBondContact O-CB 3.42Å; E33-E37 VanDerWaalsContact O-CG 3.29Å; E33-E37 WeakPolarHBondContact O-CG 3.27Å; E33-E37 PolarHBondContact O-N 3.3Å
34	T	82	Confident	73.9	Confident	81 Å²	81	78.2 Å²	78.2	50%	0.497	41%	0.409	S	S	.	.	H	α-helix	trans	-60.9	-42.2	176.5	-58.9	0	0	0	0	112.3	G30 Y31 F38	G30-T34 WeakPolarHBondContact O-CB 3.24Å; G30-T34 PolarHBondContact O-N 2.68Å; G30-T34 PolarHBondContact O-OG1 3.24Å; Y31-T34 PolarHBondContact O-N 3.01Å; T34-F38 WeakPolarHBondContact O-CB 3.36Å; T34-F38 PolarHBondContact O-N 3Å
35	V	85	Confident	76.3	Confident	30 Å²	30	77.3 Å²	77.3	18%	0.182	40%	0.398	C	S	.	.	H	α-helix	trans	-68.2	-41.4	177.8	172.8	0	0	0	0	110.9	Y31 L32 E33 F38 L39	Y31-V35 HydrophobicContact CD1-CG2 4.33Å; Y31-V35 HydrophobicContact CE1-CG2 3.84Å; Y31-V35 HydrophobicContact CE2-CG2 4.06Å; Y31-V35 WeakPolarHBondContact O-CG2 3.46Å; Y31-V35 PolarHBondContact O-N 3.29Å; L32-V35 PolarHBondContact O-N 3.34Å; E33-V35 PolarHBondContact O-N 3.07Å; V35-F38 WeakPolarHBondContact O-CB 3.46Å; V35-F38 PolarHBondContact O-N 3.07Å; V35-L39 HydrophobicContact CG1-CD1 4.08Å; V35-L39 HydrophobicContact CG1-CG 4.41Å; V35-L39 WeakPolarHBondContact O-CG 3.17Å; V35-L39 PolarHBondContact O-N 3.36Å
36	K	87.9	Confident	78.8	Confident	106 Å²	106	70 Å²	70	46%	0.461	37%	0.366	S	S	.	.	H	α-helix	trans	-63.7	-48.4	177.9	-178.9	-175.3	163.4	-149.6	0	111.5	L32 E33 F38 L39 D40	L32-K36 VanDerWaalsContact O-CB 3.24Å; L32-K36 WeakPolarHBondContact O-CB 3.39Å; L32-K36 PolarHBondContact O-N 3.41Å; E33-K36 PolarHBondContact O-N 2.92Å; E33-K36 IonicContact OE1-NZ 3.93Å; E33-K36 PolarHBondContact OE1-NZ 3.38Å; K36-F38 VanDerWaalsContact C-N 3.28Å; K36-F38 PolarHBondContact O-N 3.01Å; K36-L39 PolarHBondContact O-N 3.43Å; K36-L39 VanDerWaalsContact O-N 3.17Å; K36-D40 WeakPolarHBondContact O-CB 3.36Å; K36-D40 PolarHBondContact O-N 2.81Å
37	E	90.1	Very high	81.3	Confident	118 Å²	118	72 Å²	72	55%	0.551	38%	0.376	S	S	*	.	H	α-helix	trans	-56.9	-42.6	174.7	-74.1	173.7	175.1	0	0	111.7	E33 D40 K41	E33-E37 WeakPolarHBondContact O-CB 3.42Å; E33-E37 VanDerWaalsContact O-CG 3.29Å; E33-E37 WeakPolarHBondContact O-CG 3.27Å; E33-E37 PolarHBondContact O-N 3.3Å; E37-D40 PolarHBondContact O-N 3.33Å; E37-K41 WeakPolarHBondContact O-CB 3.36Å; E37-K41 PolarHBondContact O-N 3.33Å
38	F	91.1	Very high	83.8	Confident	66 Å²	66	70.2 Å²	70.2	29%	0.289	37%	0.365	S	S	.	.	H	α-helix	trans	-60.7	-48.4	175.2	170	-96.3	0	0	0	112.1	T34 V35 K36 D40 K41 A42 F120 Y326	T34-F38 WeakPolarHBondContact O-CB 3.36Å; T34-F38 PolarHBondContact O-N 3Å; V35-F38 WeakPolarHBondContact O-CB 3.46Å; V35-F38 PolarHBondContact O-N 3.07Å; K36-F38 VanDerWaalsContact C-N 3.28Å; K36-F38 PolarHBondContact O-N 3.01Å; F38-D40 VanDerWaalsContact C-N 3.33Å; F38-D40 PolarHBondContact O-N 3.07Å; F38-K41 PolarHBondContact O-N 3Å; F38-A42 VanDerWaalsContact O-CB 3.32Å; F38-A42 WeakPolarHBondContact O-CB 3.27Å; F38-A42 PolarHBondContact O-N 3.41Å; F38-F120 HydrophobicContact CE1-CD2 4.38Å; F38-F120 AromaticContact CE1-CE2 3.78Å; F38-F120 HydrophobicContact CE1-CE2 3.78Å; F38-F120 HydrophobicContact CZ-CD2 4.07Å; F38-F120 AromaticContact CZ-CE2 3.78Å; F38-F120 HydrophobicContact CZ-CE2 3.78Å; F38-Y326 HydrophobicContact CE1-CE2 4.43Å; F38-Y326 HydrophobicContact CE2-CE2 4.34Å; F38-Y326 AromaticContact CE2-CZ 3.75Å; F38-Y326 WeakPolarHBondContact CE2-OH 3.46Å; F38-Y326 AromaticContact CZ-CE2 3.91Å; F38-Y326 HydrophobicContact CZ-CE2 3.91Å; F38-Y326 AromaticContact CZ-CZ 3.81Å; F38-Y326 WeakPolarHBondContact CZ-OH 3.24Å
39	L	92.7	Very high	86	Confident	27 Å²	27	71.7 Å²	71.7	14%	0.141	36%	0.363	C	S	.	.	H	α-helix	trans	-67.7	-33.8	179.4	-68	176.7	0	0	0	112.1	V35 K36 A42 R43 E175	V35-L39 HydrophobicContact CG1-CD1 4.08Å; V35-L39 HydrophobicContact CG1-CG 4.41Å; V35-L39 WeakPolarHBondContact O-CG 3.17Å; V35-L39 PolarHBondContact O-N 3.36Å; K36-L39 PolarHBondContact O-N 3.43Å; K36-L39 VanDerWaalsContact O-N 3.17Å; L39-A42 PolarHBondContact O-N 3.18Å; L39-R43 WeakPolarHBondContact O-CG 3.23Å; L39-R43 PolarHBondContact O-N 2.93Å; L39-E175 HydrophobicContact CD1-CG 4.23Å
40	D	94	Very high	88.1	Confident	65 Å²	65	70.6 Å²	70.6	35%	0.348	34%	0.341	S	S	.	.	H	α-helix	trans	-64.9	-46.4	175.5	-71.2	-10.5	0	0	0	111.1	K36 E37 F38 R43 E44	K36-D40 WeakPolarHBondContact O-CB 3.36Å; K36-D40 PolarHBondContact O-N 2.81Å; E37-D40 PolarHBondContact O-N 3.33Å; F38-D40 VanDerWaalsContact C-N 3.33Å; F38-D40 PolarHBondContact O-N 3.07Å; D40-R43 PolarHBondContact O-N 3.33Å; D40-R43 IonicContact OD1-CZ 3.75Å; D40-R43 IonicContact OD1-NE 2.75Å; D40-R43 IonicContact OD1-NH2 2.8Å; D40-R43 PolarHBondContact OD1-NH2 2.78Å; D40-E44 PolarHBondContact O-N 3.08Å
41	K	93.9	Very high	89.6	Confident	138 Å²	138	73.7 Å²	73.7	60%	0.6	34%	0.344	S	S	*	.	H	α-helix	trans	-62.1	-46.1	173.4	-177	178.4	177.6	-178.6	0	111.7	E37 F38 R43 E44 D45	E37-K41 WeakPolarHBondContact O-CB 3.36Å; E37-K41 PolarHBondContact O-N 3.33Å; F38-K41 PolarHBondContact O-N 3Å; K41-R43 PolarHBondContact O-N 3.36Å; K41-E44 PolarHBondContact O-N 3.28Å; K41-E44 VanDerWaalsContact O-N 3.11Å; K41-D45 PolarHBondContact O-N 2.82Å
42	A	93.8	Very high	90.9	Very high	9 Å²	9	77.6 Å²	77.6	7%	0.074	37%	0.367	C	S	.	.	H	α-helix	trans	-57.1	-37	177.1	0	0	0	0	0	112.5	F38 L39 F46 Y176	F38-A42 VanDerWaalsContact O-CB 3.32Å; F38-A42 WeakPolarHBondContact O-CB 3.27Å; F38-A42 PolarHBondContact O-N 3.41Å; L39-A42 PolarHBondContact O-N 3.18Å; A42-F46 WeakPolarHBondContact O-CB 3.34Å; A42-F46 PolarHBondContact O-N 2.95Å; A42-Y176 HydrophobicContact CB-CD2 4.12Å; A42-Y176 HydrophobicContact CB-CE2 3.74Å
43	R	95.7	Very high	91.8	Very high	124 Å²	124	74.8 Å²	74.8	47%	0.468	36%	0.355	S	S	.	.	H	α-helix	trans	-66	-41.5	175.4	-78.7	-172.5	-62.8	176	1.9	112.8	L39 D40 K41 K47 S179 L180	L39-R43 WeakPolarHBondContact O-CG 3.23Å; L39-R43 PolarHBondContact O-N 2.93Å; D40-R43 PolarHBondContact O-N 3.33Å; D40-R43 IonicContact OD1-CZ 3.75Å; D40-R43 IonicContact OD1-NE 2.75Å; D40-R43 IonicContact OD1-NH2 2.8Å; D40-R43 PolarHBondContact OD1-NH2 2.78Å; K41-R43 PolarHBondContact O-N 3.36Å; R43-K47 VanDerWaalsContact O-CB 3.31Å; R43-K47 WeakPolarHBondContact O-CB 3.24Å; R43-K47 PolarHBondContact O-N 2.79Å; R43-S179 VanDerWaalsContact CD-O 3.27Å; R43-S179 WeakPolarHBondContact CD-O 3.45Å; R43-L180 HydrophobicContact CB-CD2 4.37Å; R43-L180 HydrophobicContact CG-CD2 3.77Å
44	E	96.2	Very high	92.3	Very high	89 Å²	89	73.2 Å²	73.2	42%	0.416	36%	0.357	S	S	.	.	H	α-helix	trans	-68.2	-47.8	177	-175.6	55.6	-150.2	0	0	111	D40 K41 F46 K47 Q48	D40-E44 PolarHBondContact O-N 3.08Å; K41-E44 PolarHBondContact O-N 3.28Å; K41-E44 VanDerWaalsContact O-N 3.11Å; E44-F46 VanDerWaalsContact C-N 3.31Å; E44-F46 PolarHBondContact O-N 3.45Å; E44-K47 WeakPolarHBondContact O-CB 3.44Å; E44-K47 PolarHBondContact O-N 3.44Å; E44-K47 VanDerWaalsContact O-N 3.08Å; E44-Q48 WeakPolarHBondContact O-CG 3.47Å; E44-Q48 PolarHBondContact O-N 2.91Å; E44-Q48 PolarHBondContact OE1-NE2 3.26Å
45	D	95.6	Very high	92.4	Very high	61 Å²	61	74.7 Å²	74.7	33%	0.326	36%	0.358	S	S	.	.	H	α-helix	trans	-59.3	-43	177	-69.6	-16.9	0	0	0	111.1	K41 R49	K41-D45 PolarHBondContact O-N 2.82Å; D45-R49 WeakPolarHBondContact O-CG 3.47Å; D45-R49 PolarHBondContact O-N 2.82Å; D45-R49 VanDerWaalsContact O-N 3.15Å
46	F	96.4	Very high	92.3	Very high	3 Å²	3	77 Å²	77	1%	0.013	37%	0.369	C	S	.	.	H	α-helix	trans	-61.1	-45.8	173.9	172.1	-95.6	0	0	0	111.5	A42 E44 Q48 R49 W50 A117 I118 L180 L182	A42-F46 WeakPolarHBondContact O-CB 3.34Å; A42-F46 PolarHBondContact O-N 2.95Å; E44-F46 VanDerWaalsContact C-N 3.31Å; E44-F46 PolarHBondContact O-N 3.45Å; F46-Q48 PolarHBondContact O-N 2.67Å; F46-R49 PolarHBondContact O-N 3.03Å; F46-W50 HydrophobicContact CD1-CB 4.48Å; F46-W50 HydrophobicContact CE1-CB 4.2Å; F46-W50 HydrophobicContact CE1-CD2 4.24Å; F46-W50 HydrophobicContact CE1-CE3 4.19Å; F46-W50 HydrophobicContact CE1-CG 4.26Å; F46-W50 AromaticContact CE2-CE3 3.87Å; F46-W50 HydrophobicContact CE2-CE3 3.87Å; F46-W50 HydrophobicContact CE2-CZ3 4.47Å; F46-W50 HydrophobicContact CZ-CB 4.38Å; F46-W50 AromaticContact CZ-CD2 3.9Å; F46-W50 HydrophobicContact CZ-CD2 3.9Å; F46-W50 AromaticContact CZ-CE3 3.39Å; F46-W50 HydrophobicContact CZ-CE3 3.39Å; F46-W50 HydrophobicContact CZ-CG 4.32Å; F46-W50 AromaticContact CZ-CZ3 4Å; F46-W50 HydrophobicContact CZ-CZ3 4Å; F46-W50 WeakPolarHBondContact O-CB 3.5Å; F46-W50 PolarHBondContact O-N 3.33Å; F46-A117 HydrophobicContact CD2-CB 3.52Å; F46-A117 WeakPolarHBondContact CD2-O 3.29Å; F46-A117 HydrophobicContact CE2-CB 3.43Å; F46-A117 VanDerWaalsContact CE2-CB 3.43Å; F46-A117 HydrophobicContact CG-CB 4.44Å; F46-A117 HydrophobicContact CZ-CB 4.28Å; F46-I118 HydrophobicContact CD2-CG2 4.4Å; F46-I118 HydrophobicContact CE2-CG2 4.23Å; F46-L180 HydrophobicContact CB-CD1 4.09Å; F46-L180 HydrophobicContact CB-CD2 3.58Å; F46-L180 HydrophobicContact CB-CG 4.39Å; F46-L180 HydrophobicContact CD1-CB 4.23Å; F46-L180 HydrophobicContact CD1-CD2 3.99Å; F46-L180 HydrophobicContact CD1-CG 4.46Å; F46-L180 HydrophobicContact CD2-CB 4.43Å; F46-L180 HydrophobicContact CD2-CD1 3.54Å; F46-L180 HydrophobicContact CD2-CD2 4.35Å; F46-L180 HydrophobicContact CD2-CG 4.31Å; F46-L180 HydrophobicContact CE1-CB 4.25Å; F46-L180 HydrophobicContact CE2-CB 4.45Å; F46-L180 HydrophobicContact CE2-CD1 4.07Å; F46-L180 HydrophobicContact CG-CB 4.31Å; F46-L180 HydrophobicContact CG-CD1 3.8Å; F46-L180 HydrophobicContact CG-CD2 3.72Å; F46-L180 HydrophobicContact CG-CG 4.13Å; F46-L180 HydrophobicContact CZ-CB 4.37Å; F46-L182 HydrophobicContact CE2-CD1 3.81Å; F46-L182 HydrophobicContact CZ-CD1 4.14Å; F46-L182 HydrophobicContact CZ-CG 4.42Å
47	K	96.1	Very high	92.5	Very high	88 Å²	88	74.7 Å²	74.7	38%	0.383	36%	0.364	S	S	.	.	H	α-helix	trans	-61.2	-45.8	-179.8	-175.9	-174	172.3	-163.4	0	111.1	R43 E44 R49 W50 E51	R43-K47 VanDerWaalsContact O-CB 3.31Å; R43-K47 WeakPolarHBondContact O-CB 3.24Å; R43-K47 PolarHBondContact O-N 2.79Å; E44-K47 WeakPolarHBondContact O-CB 3.44Å; E44-K47 PolarHBondContact O-N 3.44Å; E44-K47 VanDerWaalsContact O-N 3.08Å; K47-R49 PolarHBondContact O-N 3.4Å; K47-W50 PolarHBondContact O-N 2.97Å; K47-E51 WeakPolarHBondContact CE-OE1 3.5Å; K47-E51 WeakPolarHBondContact CE-OE2 3.42Å; K47-E51 HydrophobicContact CG-CG 4.36Å; K47-E51 WeakPolarHBondContact CG-OE1 3.42Å; K47-E51 WeakPolarHBondContact O-CB 3.43Å; K47-E51 WeakPolarHBondContact O-CG 3.38Å; K47-E51 PolarHBondContact O-N 3.05Å
48	Q	96.3	Very high	92.7	Very high	98 Å²	98	70 Å²	70	46%	0.458	35%	0.345	S	S	.	.	H	α-helix	trans	-56.4	-48.5	176.8	-71.2	-68.7	-19.6	0	0	111.5	E44 F46 N52	E44-Q48 WeakPolarHBondContact O-CG 3.47Å; E44-Q48 PolarHBondContact O-N 2.91Å; E44-Q48 PolarHBondContact OE1-NE2 3.26Å; F46-Q48 PolarHBondContact O-N 2.67Å; Q48-N52 WeakPolarHBondContact O-CB 3.41Å; Q48-N52 PolarHBondContact O-N 3.11Å; Q48-N52 PolarHBondContact O-ND2 2.93Å
49	R	95.2	Very high	92.9	Very high	82 Å²	82	69.6 Å²	69.6	31%	0.309	35%	0.35	S	S	.	.	H	α-helix	trans	-69.6	-34.4	178.2	-63.1	176.5	-142.4	-162.6	6.4	112.9	D45 F46 K47 N52 A117 D119	D45-R49 WeakPolarHBondContact O-CG 3.47Å; D45-R49 PolarHBondContact O-N 2.82Å; D45-R49 VanDerWaalsContact O-N 3.15Å; F46-R49 PolarHBondContact O-N 3.03Å; K47-R49 PolarHBondContact O-N 3.4Å; R49-N52 CarbonylContact O-C 3.47Å; R49-A117 HydrophobicContact CB-CB 4.12Å; R49-D119 IonicContact CZ-OD2 3.68Å; R49-D119 IonicContact NH1-OD2 2.61Å; R49-D119 PolarHBondContact NH1-OD2 3.03Å; R49-D119 IonicContact NH2-OD2 2.78Å; R49-D119 PolarHBondContact NH2-OD2 3.23Å
50	W	95.2	Very high	93	Very high	32 Å²	32	69 Å²	69	12%	0.121	35%	0.348	C	S	.	.	H	α-helix	trans	-70.3	-34.7	179.6	-176.8	-86.2	0	0	0	113	F46 K47 R113 I114 A117	F46-W50 HydrophobicContact CD1-CB 4.48Å; F46-W50 HydrophobicContact CE1-CB 4.2Å; F46-W50 HydrophobicContact CE1-CD2 4.24Å; F46-W50 HydrophobicContact CE1-CE3 4.19Å; F46-W50 HydrophobicContact CE1-CG 4.26Å; F46-W50 AromaticContact CE2-CE3 3.87Å; F46-W50 HydrophobicContact CE2-CE3 3.87Å; F46-W50 HydrophobicContact CE2-CZ3 4.47Å; F46-W50 HydrophobicContact CZ-CB 4.38Å; F46-W50 AromaticContact CZ-CD2 3.9Å; F46-W50 HydrophobicContact CZ-CD2 3.9Å; F46-W50 AromaticContact CZ-CE3 3.39Å; F46-W50 HydrophobicContact CZ-CE3 3.39Å; F46-W50 HydrophobicContact CZ-CG 4.32Å; F46-W50 AromaticContact CZ-CZ3 4Å; F46-W50 HydrophobicContact CZ-CZ3 4Å; F46-W50 WeakPolarHBondContact O-CB 3.5Å; F46-W50 PolarHBondContact O-N 3.33Å; K47-W50 PolarHBondContact O-N 2.97Å; W50-R113 HydrophobicContact CD2-CG 4.26Å; W50-R113 HydrophobicContact CE3-CG 3.92Å; W50-R113 HydrophobicContact CH2-CB 4.46Å; W50-R113 HydrophobicContact CH2-CG 3.91Å; W50-R113 HydrophobicContact CZ2-CG 4.24Å; W50-R113 HydrophobicContact CZ3-CB 4.32Å; W50-R113 HydrophobicContact CZ3-CG 3.74Å; W50-R113 PolarHBondContact O-NE 3.34Å; W50-R113 PolarHBondContact O-NH2 3.1Å; W50-I114 HydrophobicContact CH2-CG1 4.28Å; W50-I114 HydrophobicContact CZ3-CG1 3.88Å; W50-A117 HydrophobicContact CB-CB 4.18Å; W50-A117 HydrophobicContact CE3-CB 3.92Å
51	E	94.5	Very high	93.1	Very high	109 Å²	109	71.8 Å²	71.8	51%	0.509	36%	0.362	S	S	.	.	H	α-helix	trans	-87.2	-26.3	179	-69.4	175.6	178.2	0	0	112.1	K47 P53	K47-E51 WeakPolarHBondContact CE-OE1 3.5Å; K47-E51 WeakPolarHBondContact CE-OE2 3.42Å; K47-E51 HydrophobicContact CG-CG 4.36Å; K47-E51 WeakPolarHBondContact CG-OE1 3.42Å; K47-E51 WeakPolarHBondContact O-CB 3.43Å; K47-E51 WeakPolarHBondContact O-CG 3.38Å; K47-E51 PolarHBondContact O-N 3.05Å; E51-P53 VanDerWaalsContact C-CD 3.44Å; E51-P53 WeakPolarHBondContact O-CD 3.02Å
52	N	93.2	Very high	93.3	Very high	108 Å²	108	68 Å²	68	58%	0.578	35%	0.348	S	S	*	.	S	Bend	trans	-120.9	68.2	178.9	-52.9	-79.6	0	0	0	111.3	Q48 R49 A54	Q48-N52 WeakPolarHBondContact O-CB 3.41Å; Q48-N52 PolarHBondContact O-N 3.11Å; Q48-N52 PolarHBondContact O-ND2 2.93Å; R49-N52 CarbonylContact O-C 3.47Å; N52-A54 PolarHBondContact O-N 3.46Å
53	P	87.9	Confident	93.5	Very high	49 Å²	49	67.7 Å²	67.7	32%	0.318	35%	0.346	S	S	.	.			trans	-67.4	131.5	-178.1	28.4	-34.4	0	0	0	111.1	E51	E51-P53 VanDerWaalsContact C-CD 3.44Å; E51-P53 WeakPolarHBondContact O-CD 3.02Å
54	A	86.3	Confident	93.5	Very high	55 Å²	55	65.2 Å²	65.2	46%	0.455	34%	0.341	S	S	.	.			trans	-67.3	141.4	171.3	0	0	0	0	0	110.5	N52 T57 Q116	N52-A54 PolarHBondContact O-N 3.46Å; A54-T57 HydrophobicContact CB-CG2 3.69Å; A54-Q116 PolarHBondContact O-NE2 2.73Å
55	Q	82.3	Confident	93.5	Very high	111 Å²	111	63.5 Å²	63.5	52%	0.519	33%	0.331	S	S	.	.			trans	-118.5	142.3	176.5	-65.2	-178.3	-3.9	0	0	109.5	T57	Q55-T57 PolarHBondContact O-N 3.29Å
56	N	83.8	Confident	93.4	Very high	78 Å²	78	64 Å²	64	42%	0.417	33%	0.333	S	S	.	.			trans	40.4	63.7	174.1	-66	-41.6	0	0	0	114.1	A58 S129 F130 K131	N56-A58 PolarHBondContact O-N 3.18Å; N56-S129 WeakPolarHBondContact CA-O 3.38Å; N56-S129 PolarHBondContact N-O 2.81Å; N56-F130 WeakPolarHBondContact OD1-CA 3.23Å; N56-K131 PolarHBondContact OD1-N 3.41Å
57	T	91.7	Very high	93.2	Very high	58 Å²	58	66.3 Å²	66.3	36%	0.356	34%	0.343	S	S	.	.			trans	-78	-3.4	-174.8	60.7	0	0	0	0	113.7	A54 Q55 F128 S129	A54-T57 HydrophobicContact CB-CG2 3.69Å; Q55-T57 PolarHBondContact O-N 3.29Å; T57-F128 WeakPolarHBondContact OG1-CA 3.48Å; T57-F128 WeakPolarHBondContact OG1-CB 3.39Å; T57-S129 PolarHBondContact N-O 3.3Å; T57-S129 PolarHBondContact OG1-N 3.48Å; T57-S129 PolarHBondContact OG1-O 3.06Å
58	A	95.4	Very high	93	Very high	19 Å²	19	62.2 Å²	62.2	16%	0.157	33%	0.326	C	S	.	.			trans	-163.3	-179.8	179.2	0	0	0	0	0	109.4	N56 F63 F128 F130	N56-A58 PolarHBondContact O-N 3.18Å; A58-F63 HydrophobicContact CB-CE2 3.86Å; A58-F63 HydrophobicContact CB-CZ 4.18Å; A58-F128 HydrophobicContact CB-CB 4.07Å; A58-F128 HydrophobicContact CB-CD1 3.92Å; A58-F128 HydrophobicContact CB-CG 4.16Å; A58-F130 HydrophobicContact CB-CD1 3.94Å; A58-F130 HydrophobicContact CB-CE1 4.19Å; A58-F130 WeakPolarHBondContact O-CB 2.85Å; A58-F130 VanDerWaalsContact O-CG 3.29Å; A58-F130 WeakPolarHBondContact O-CG 3.22Å
59	C	95.2	Very high	92.7	Very high	58 Å²	58	58.2 Å²	58.2	39%	0.392	31%	0.307	S	S	.	.			trans	-129.4	168.6	167.9	72	0	0	0	0	111.1	D61 D62 F63	C59-D61 PolarHBondContact O-N 3.04Å; C59-D62 PolarHBondContact N-OD2 3.43Å; C59-D62 WeakPolarHBondContact O-CB 3.46Å; C59-D62 PolarHBondContact O-N 3.32Å; C59-D62 VanDerWaalsContact SG-CG 3.51Å; C59-D62 PolarHBondContact SG-OD2 3.09Å; C59-F63 VanDerWaalsContact O-CD2 3.31Å; C59-F63 WeakPolarHBondContact O-CD2 3.49Å; C59-F63 WeakPolarHBondContact O-CE2 3.37Å
60	L	94.7	Very high	92.3	Very high	16 Å²	16	55.4 Å²	55.4	8%	0.084	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-63.5	-33	-176.5	-169.6	63	0	0	0	112.5	D62 F63 R65 M91 F130 Y137 F371 I373	L60-D62 PolarHBondContact O-N 3.45Å; L60-F63 PolarHBondContact O-N 2.87Å; L60-R65 VanDerWaalsContact CD2-NH1 3.33Å; L60-M91 HydrophobicContact CD1-CE 4.11Å; L60-M91 HydrophobicContact CD1-SD 3.82Å; L60-F130 HydrophobicContact CB-CE2 3.9Å; L60-F130 HydrophobicContact CB-CZ 4.41Å; L60-F130 HydrophobicContact CD1-CE2 4.26Å; L60-F130 HydrophobicContact CD1-CZ 4.24Å; L60-F130 VanDerWaalsContact N-CE2 3.29Å; L60-Y137 HydrophobicContact CD1-CD1 4.09Å; L60-Y137 HydrophobicContact CD1-CE1 3.59Å; L60-Y137 HydrophobicContact CD2-CE1 4.47Å; L60-F371 HydrophobicContact CD2-CE2 4.35Å; L60-F371 HydrophobicContact CD2-CZ 3.91Å; L60-I373 HydrophobicContact CD2-CD1 3.65Å
61	D	96.1	Very high	91.9	Very high	122 Å²	122	57.9 Å²	57.9	65%	0.652	32%	0.323	S	S	*	.	G	3₁₀ helix	trans	-70.4	-11.7	-178.9	-71.8	-20.7	0	0	0	113.3	C59 F63 K83	C59-D61 PolarHBondContact O-N 3.04Å; D61-F63 PolarHBondContact O-N 3.21Å; D61-K83 WeakPolarHBondContact O-CD 3.32Å; D61-K83 VanDerWaalsContact O-CE 3.31Å; D61-K83 WeakPolarHBondContact O-CE 3.25Å; D61-K83 PolarHBondContact O-NZ 2.56Å
62	D	97.5	Very high	91.2	Very high	58 Å²	58	55 Å²	55	31%	0.31	32%	0.323	S	S	.	.	G	3₁₀ helix	trans	-73.5	-7.4	173.5	-60.9	-38.6	0	0	0	112.5	C59 L60 H82 K83	C59-D62 PolarHBondContact N-OD2 3.43Å; C59-D62 WeakPolarHBondContact O-CB 3.46Å; C59-D62 PolarHBondContact O-N 3.32Å; C59-D62 VanDerWaalsContact SG-CG 3.51Å; C59-D62 PolarHBondContact SG-OD2 3.09Å; L60-D62 PolarHBondContact O-N 3.45Å; D62-H82 PolarHBondContact O-CD2 2.82Å; D62-K83 WeakPolarHBondContact O-CB 3.25Å; D62-K83 WeakPolarHBondContact O-CG 3.48Å; D62-K83 PolarHBondContact O-N 3.4Å
63	F	97.7	Very high	90.6	Very high	4 Å²	4	54 Å²	54	2%	0.018	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	135.4	-171.9	-58.8	-88	0	0	0	113.2	A58 C59 L60 D61 V80 K81 H82 Y89 M91 F128 F130 V139	A58-F63 HydrophobicContact CB-CE2 3.86Å; A58-F63 HydrophobicContact CB-CZ 4.18Å; C59-F63 VanDerWaalsContact O-CD2 3.31Å; C59-F63 WeakPolarHBondContact O-CD2 3.49Å; C59-F63 WeakPolarHBondContact O-CE2 3.37Å; L60-F63 PolarHBondContact O-N 2.87Å; D61-F63 PolarHBondContact O-N 3.21Å; F63-V80 HydrophobicContact CB-CB 4.2Å; F63-V80 HydrophobicContact CD1-CB 4.33Å; F63-V80 HydrophobicContact CD1-CG2 3.79Å; F63-V80 HydrophobicContact CE1-CG2 4.48Å; F63-V80 HydrophobicContact CG-CG2 4.42Å; F63-K81 CarbonylContact C-O 3.57Å; F63-K81 WeakPolarHBondContact CA-O 3.49Å; F63-H82 HydrophobicContact CD1-CB 3.97Å; F63-H82 HydrophobicContact CE1-CB 3.77Å; F63-H82 AromaticContact CE1-CD2 3.78Å; F63-H82 AromaticContact CZ-CD2 3.97Å; F63-Y89 HydrophobicContact CE1-CD2 4.44Å; F63-M91 HydrophobicContact CB-CE 3.89Å; F63-M91 HydrophobicContact CD1-CE 4.09Å; F63-M91 HydrophobicContact CD2-CE 3.56Å; F63-M91 HydrophobicContact CE2-CE 4.11Å; F63-M91 HydrophobicContact CG-CE 3.56Å; F63-F128 HydrophobicContact CE1-CD2 4.12Å; F63-F128 HydrophobicContact CE1-CE2 4.26Å; F63-F128 HydrophobicContact CZ-CB 4.44Å; F63-F128 AromaticContact CZ-CD2 3.74Å; F63-F128 HydrophobicContact CZ-CD2 3.74Å; F63-F128 HydrophobicContact CZ-CE2 4.14Å; F63-F128 HydrophobicContact CZ-CG 4.1Å; F63-F130 HydrophobicContact CD2-CE1 4.32Å; F63-F130 HydrophobicContact CD2-CZ 4.24Å; F63-F130 AromaticContact CE2-CE1 3.71Å; F63-F130 HydrophobicContact CE2-CE1 3.71Å; F63-F130 HydrophobicContact CE2-CZ 4.08Å; F63-F130 HydrophobicContact CZ-CE1 4.47Å; F63-V139 HydrophobicContact CE1-CG1 3.91Å; F63-V139 HydrophobicContact CE1-CG2 4.38Å; F63-V139 HydrophobicContact CE2-CG2 4.38Å; F63-V139 HydrophobicContact CZ-CG1 4.23Å; F63-V139 HydrophobicContact CZ-CG2 4.02Å
64	D	97	Very high	90.5	Very high	71 Å²	71	53.1 Å²	53.1	38%	0.38	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	121	163.1	-62.6	-42.6	0	0	0	108.9	V80 K81 K83	D64-V80 CarbonylContact O-C 3.57Å; D64-V80 WeakPolarHBondContact O-CA 3.44Å; D64-K81 HydrophobicContact CB-CB 4.34Å; D64-K81 PolarHBondContact N-O 3.47Å; D64-K81 PolarHBondContact O-N 3.3Å; D64-K83 WeakPolarHBondContact OD1-CE 3.49Å; D64-K83 IonicContact OD1-NZ 3.96Å
65	R	94.9	Very high	90.6	Very high	53 Å²	53	51.4 Å²	51.4	20%	0.2	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	117	177.7	-66.8	180	-67.8	-92	-0.9	110.2	L60 M78 V80 T369 E370	L60-R65 VanDerWaalsContact CD2-NH1 3.33Å; R65-M78 HydrophobicContact CB-CE 3.87Å; R65-M78 HydrophobicContact CG-CE 4.41Å; R65-V80 HydrophobicContact CG-CG1 4.38Å; R65-T369 WeakPolarHBondContact CD-O 3.45Å; R65-T369 PolarHBondContact NE-O 3.31Å; R65-E370 IonicContact CZ-OE1 3.58Å; R65-E370 IonicContact CZ-OE2 3.69Å; R65-E370 IonicContact NE-OE1 3.59Å; R65-E370 IonicContact NH2-OE1 2.77Å; R65-E370 PolarHBondContact NH2-OE1 2.77Å; R65-E370 IonicContact NH2-OE2 2.73Å; R65-E370 PolarHBondContact NH2-OE2 2.73Å
66	I	93.6	Very high	91.1	Very high	71 Å²	71	47.1 Å²	47.1	36%	0.364	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	-59	-169.4	-61.5	163.3	0	0	0	111.7	L79 K81 Y88 T369	I66-L79 HydrophobicContact CB-CB 4.47Å; I66-L79 HydrophobicContact CB-CD2 4.35Å; I66-L79 HydrophobicContact CB-CG 4.28Å; I66-L79 WeakPolarHBondContact CB-O 3.35Å; I66-L79 HydrophobicContact CD1-CD2 4.36Å; I66-L79 HydrophobicContact CD1-CG 4.17Å; I66-L79 HydrophobicContact CG2-CD2 4.11Å; I66-L79 PolarHBondContact N-O 2.88Å; I66-K81 HydrophobicContact CD1-CB 3.83Å; I66-Y88 HydrophobicContact CD1-CD1 3.71Å; I66-Y88 HydrophobicContact CD1-CE1 3.45Å; I66-Y88 VanDerWaalsContact CD1-CE1 3.45Å; I66-T369 WeakPolarHBondContact O-CG2 3.39Å
67	K	91.9	Very high	91.5	Very high	52 Å²	52	45.5 Å²	45.5	23%	0.226	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	146.4	-170.8	174.8	164.9	176.1	163	0	111.5	M78 L79 E364	K67-M78 CarbonylContact O-C 3.43Å; K67-M78 VanDerWaalsContact O-CA 3.25Å; K67-M78 WeakPolarHBondContact O-CA 3.47Å; K67-L79 PolarHBondContact N-O 3.23Å; K67-L79 PolarHBondContact O-N 3.03Å; K67-E364 WeakPolarHBondContact CE-OE1 3.29Å; K67-E364 IonicContact NZ-OE1 3.63Å; K67-E364 PolarHBondContact NZ-OE1 3.44Å
68	T	92.2	Very high	91.7	Very high	3 Å²	3	42.7 Å²	42.7	2%	0.018	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	124	170.6	-54.5	0	0	0	0	109.9	R76 V365	T68-R76 HydrophobicContact CG2-CB 4.19Å; T68-V365 HydrophobicContact CG2-CB 3.83Å; T68-V365 HydrophobicContact CG2-CG1 3.77Å; T68-V365 HydrophobicContact CG2-CG2 4.48Å
69	L	89.2	Confident	91.7	Very high	14 Å²	14	41.9 Å²	41.9	7%	0.073	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	-28	178.9	-64.6	175.9	0	0	0	112.5	V77 L79 A90 F142 T358 F361	L69-V77 HydrophobicContact CB-CG1 4.39Å; L69-V77 HydrophobicContact CD1-CG1 4.25Å; L69-V77 PolarHBondContact N-O 3.42Å; L69-L79 HydrophobicContact CD1-CB 4.14Å; L69-L79 HydrophobicContact CD2-CB 4.05Å; L69-L79 HydrophobicContact CG-CB 4.06Å; L69-A90 HydrophobicContact CD1-CB 4.23Å; L69-F142 HydrophobicContact CD1-CD2 3.89Å; L69-F142 HydrophobicContact CD1-CE2 3.64Å; L69-F142 HydrophobicContact CD2-CE2 4.06Å; L69-T358 HydrophobicContact CD2-CG2 3.46Å; L69-T358 VanDerWaalsContact CD2-CG2 3.46Å; L69-F361 HydrophobicContact CB-CD1 3.91Å; L69-F361 HydrophobicContact CB-CE1 4.07Å; L69-F361 HydrophobicContact CD1-CE1 4.14Å; L69-F361 HydrophobicContact CD1-CZ 4.29Å; L69-F361 HydrophobicContact CD2-CD1 3.99Å; L69-F361 HydrophobicContact CD2-CD2 4.08Å; L69-F361 HydrophobicContact CD2-CE1 4.1Å; L69-F361 HydrophobicContact CD2-CE2 4.19Å; L69-F361 HydrophobicContact CD2-CG 3.99Å; L69-F361 HydrophobicContact CD2-CZ 4.21Å; L69-F361 HydrophobicContact CG-CD1 4.42Å; L69-F361 HydrophobicContact CG-CE1 4.33Å
70	G	88.1	Confident	91.8	Very high	23 Å²	23	39.1 Å²	39.1	24%	0.237	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-179.2	163.3	179	0	0	0	0	0	111.8	R76 V77	G70-R76 CarbonylContact O-C 3.45Å; G70-R76 WeakPolarHBondContact O-CA 3.49Å; G70-R76 WeakPolarHBondContact O-CB 3.16Å; G70-V77 PolarHBondContact N-O 2.96Å; G70-V77 PolarHBondContact O-N 3.31Å
71	T	86.8	Confident	91.9	Very high	84 Å²	84	41.6 Å²	41.6	52%	0.515	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	137.2	177	52.9	0	0	0	0	109.9	R76 V365 E367	T71-R76 HydrophobicContact CG2-CB 4.3Å; T71-V365 HydrophobicContact CG2-CG1 3.77Å; T71-E367 WeakPolarHBondContact CG2-OE1 3.42Å
72	G	79.8	Confident	92	Very high	49 Å²	49	36.5 Å²	36.5	51%	0.505	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	176	176.3	0	0	0	0	0	111.4	F74 G75	G72-F74 PolarHBondContact O-N 3Å; G72-F74 VanDerWaalsContact O-N 3.15Å; G72-G75 PolarHBondContact N-O 3.31Å; G72-G75 PolarHBondContact O-N 3.23Å; G72-G75 VanDerWaalsContact O-O 3.06Å
73	S	80.4	Confident	92	Very high	87 Å²	87	38.9 Å²	38.9	61%	0.608	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-30.5	179.2	49.4	0	0	0	0	114.2
74	F	84.8	Confident	92	Very high	30 Å²	30	47.1 Å²	47.1	13%	0.132	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.2	-1.9	-174	-43.2	-60.8	0	0	0	114	G72 L94 D95 V99 L102 Q104	G72-F74 PolarHBondContact O-N 3Å; G72-F74 VanDerWaalsContact O-N 3.15Å; F74-L94 HydrophobicContact CB-CD2 3.92Å; F74-L94 HydrophobicContact CD2-CD2 4.36Å; F74-D95 WeakPolarHBondContact O-CB 3.25Å; F74-D95 PolarHBondContact O-N 3.41Å; F74-V99 HydrophobicContact CB-CG2 3.99Å; F74-V99 HydrophobicContact CD1-CG2 4.45Å; F74-V99 HydrophobicContact CG-CG2 4.16Å; F74-L102 HydrophobicContact CD1-CD1 3.67Å; F74-L102 HydrophobicContact CE1-CB 3.98Å; F74-L102 HydrophobicContact CE1-CD1 3.5Å; F74-L102 VanDerWaalsContact CE1-CD1 3.5Å; F74-L102 HydrophobicContact CE1-CG 4.37Å; F74-Q104 HydrophobicContact CE1-CB 4.11Å; F74-Q104 HydrophobicContact CE1-CG 3.76Å; F74-Q104 HydrophobicContact CZ-CB 3.96Å; F74-Q104 HydrophobicContact CZ-CG 3.59Å
75	G	88.5	Confident	92	Very high	19 Å²	19	46.3 Å²	46.3	20%	0.196	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	162.5	-137.4	-171.9	0	0	0	0	0	111.8	G72 I93	G72-G75 PolarHBondContact N-O 3.31Å; G72-G75 PolarHBondContact O-N 3.23Å; G72-G75 VanDerWaalsContact O-O 3.06Å; G75-I93 WeakPolarHBondContact CA-O 3.42Å
76	R	93.2	Very high	92	Very high	21 Å²	21	45 Å²	45	8%	0.079	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150	163.4	-172.5	69.9	-168.2	-173.1	179.4	7.2	112.6	T68 G70 T71 M78 I93 E367 P368 T369 F371	T68-R76 HydrophobicContact CG2-CB 4.19Å; G70-R76 CarbonylContact O-C 3.45Å; G70-R76 WeakPolarHBondContact O-CA 3.49Å; G70-R76 WeakPolarHBondContact O-CB 3.16Å; T71-R76 HydrophobicContact CG2-CB 4.3Å; R76-M78 HydrophobicContact CG-CG 4.14Å; R76-M78 PolarHBondContact NE-SD 3.34Å; R76-M78 VanDerWaalsContact NE-SD 3.42Å; R76-M78 PolarHBondContact NH2-SD 3.48Å; R76-I93 HydrophobicContact CG-CD1 4.48Å; R76-I93 PolarHBondContact N-O 2.99Å; R76-I93 PolarHBondContact O-N 3.36Å; R76-E367 WeakPolarHBondContact CD-OE2 3.07Å; R76-E367 IonicContact CZ-OE2 3.4Å; R76-E367 IonicContact NE-OE2 3.12Å; R76-E367 IonicContact NH1-OE2 3.36Å; R76-E367 PolarHBondContact NH1-OE2 3.4Å; R76-P368 PolarHBondContact NH1-O 3.04Å; R76-P368 PolarHBondContact NH2-O 3.49Å; R76-T369 PolarHBondContact NH2-O 3.03Å; R76-F371 VanDerWaalsContact NH2-CD1 3.29Å
77	V	93.3	Very high	92.2	Very high	43 Å²	43	45.7 Å²	45.7	26%	0.261	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	130	172.1	-174.9	0	0	0	0	108	L69 G70 A90 M91 K92	L69-V77 HydrophobicContact CB-CG1 4.39Å; L69-V77 HydrophobicContact CD1-CG1 4.25Å; L69-V77 PolarHBondContact N-O 3.42Å; G70-V77 PolarHBondContact N-O 2.96Å; G70-V77 PolarHBondContact O-N 3.31Å; V77-A90 HydrophobicContact CG1-CB 4.01Å; V77-M91 CarbonylContact C-O 3.58Å; V77-M91 WeakPolarHBondContact CA-O 3.37Å; V77-K92 HydrophobicContact CG2-CB 4.24Å; V77-K92 HydrophobicContact CG2-CG 4.28Å
78	M	94.5	Very high	92.4	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	142.3	179.5	-63.6	-172.3	73	0	0	111.6	R65 K67 R76 V80 A90 M91 I93 T369	R65-M78 HydrophobicContact CB-CE 3.87Å; R65-M78 HydrophobicContact CG-CE 4.41Å; K67-M78 CarbonylContact O-C 3.43Å; K67-M78 VanDerWaalsContact O-CA 3.25Å; K67-M78 WeakPolarHBondContact O-CA 3.47Å; R76-M78 HydrophobicContact CG-CG 4.14Å; R76-M78 PolarHBondContact NE-SD 3.34Å; R76-M78 VanDerWaalsContact NE-SD 3.42Å; R76-M78 PolarHBondContact NH2-SD 3.48Å; M78-V80 HydrophobicContact CB-CG1 4.21Å; M78-V80 PolarHBondContact O-N 2.92Å; M78-A90 CarbonylContact O-C 3.59Å; M78-A90 WeakPolarHBondContact O-CA 3.3Å; M78-M91 PolarHBondContact N-O 3.3Å; M78-M91 PolarHBondContact O-N 3.28Å; M78-I93 HydrophobicContact CB-CD1 4.49Å; M78-I93 HydrophobicContact CG-CD1 3.89Å; M78-I93 HydrophobicContact SD-CD1 3.52Å; M78-I93 VanDerWaalsContact SD-CD1 3.52Å; M78-T369 HydrophobicContact CE-CG2 3.88Å
79	L	95.5	Very high	92.7	Very high	2 Å²	2	47.2 Å²	47.2	1%	0.01	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	125.1	159.5	-179.6	64.4	0	0	0	108.2	I66 K67 L69 Y88 Y89 F142 A356 T358	I66-L79 HydrophobicContact CB-CB 4.47Å; I66-L79 HydrophobicContact CB-CD2 4.35Å; I66-L79 HydrophobicContact CB-CG 4.28Å; I66-L79 WeakPolarHBondContact CB-O 3.35Å; I66-L79 HydrophobicContact CD1-CD2 4.36Å; I66-L79 HydrophobicContact CD1-CG 4.17Å; I66-L79 HydrophobicContact CG2-CD2 4.11Å; I66-L79 PolarHBondContact N-O 2.88Å; K67-L79 PolarHBondContact N-O 3.23Å; K67-L79 PolarHBondContact O-N 3.03Å; L69-L79 HydrophobicContact CD1-CB 4.14Å; L69-L79 HydrophobicContact CD2-CB 4.05Å; L69-L79 HydrophobicContact CG-CB 4.06Å; L79-Y88 HydrophobicContact CD1-CD1 4.12Å; L79-Y88 HydrophobicContact CG-CD1 4.4Å; L79-Y89 WeakPolarHBondContact CA-O 3.34Å; L79-F142 HydrophobicContact CD1-CD1 3.81Å; L79-F142 HydrophobicContact CD1-CD2 3.93Å; L79-F142 HydrophobicContact CD1-CE1 3.89Å; L79-F142 HydrophobicContact CD1-CE2 4.01Å; L79-F142 HydrophobicContact CD1-CG 3.83Å; L79-F142 HydrophobicContact CD1-CZ 3.99Å; L79-A356 HydrophobicContact CD2-CB 4.14Å; L79-T358 HydrophobicContact CD2-CG2 3.8Å
80	V	97.4	Very high	93	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	156.2	176.5	-58.4	0	0	0	0	110.3	F63 D64 R65 M78 Y88 Y89 M91	F63-V80 HydrophobicContact CB-CB 4.2Å; F63-V80 HydrophobicContact CD1-CB 4.33Å; F63-V80 HydrophobicContact CD1-CG2 3.79Å; F63-V80 HydrophobicContact CE1-CG2 4.48Å; F63-V80 HydrophobicContact CG-CG2 4.42Å; D64-V80 CarbonylContact O-C 3.57Å; D64-V80 WeakPolarHBondContact O-CA 3.44Å; R65-V80 HydrophobicContact CG-CG1 4.38Å; M78-V80 HydrophobicContact CB-CG1 4.21Å; M78-V80 PolarHBondContact O-N 2.92Å; V80-Y88 CarbonylContact O-C 3.58Å; V80-Y88 VanDerWaalsContact O-CA 3.3Å; V80-Y88 WeakPolarHBondContact O-CA 3.23Å; V80-Y89 PolarHBondContact N-O 3.49Å; V80-Y89 PolarHBondContact O-N 3.17Å; V80-M91 HydrophobicContact CB-CB 4.44Å; V80-M91 HydrophobicContact CB-CE 4.47Å; V80-M91 HydrophobicContact CG1-CB 3.65Å; V80-M91 HydrophobicContact CG1-CE 4.04Å; V80-M91 HydrophobicContact CG1-CG 4.45Å; V80-M91 HydrophobicContact CG1-SD 4.01Å; V80-M91 HydrophobicContact CG2-CB 3.88Å; V80-M91 HydrophobicContact CG2-CE 4.15Å
81	K	98	Very high	93.5	Very high	68 Å²	68	46.1 Å²	46.1	30%	0.296	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	124.2	170.3	-178.2	-176.2	-179.3	-174.2	0	109.2	F63 D64 I66 K83 G86 N87 Y88	F63-K81 CarbonylContact C-O 3.57Å; F63-K81 WeakPolarHBondContact CA-O 3.49Å; D64-K81 HydrophobicContact CB-CB 4.34Å; D64-K81 PolarHBondContact N-O 3.47Å; D64-K81 PolarHBondContact O-N 3.3Å; I66-K81 HydrophobicContact CD1-CB 3.83Å; K81-K83 PolarHBondContact O-N 2.98Å; K81-G86 WeakPolarHBondContact CE-O 3.42Å; K81-N87 CarbonylContact C-O 3.59Å; K81-N87 WeakPolarHBondContact CA-O 3.18Å; K81-Y88 HydrophobicContact CB-CD1 4.05Å; K81-Y88 HydrophobicContact CB-CE1 3.96Å; K81-Y88 HydrophobicContact CD-CE1 4.13Å; K81-Y88 HydrophobicContact CG-CD1 4.45Å; K81-Y88 HydrophobicContact CG-CE1 4.2Å
82	H	98.1	Very high	93.9	Very high	15 Å²	15	44 Å²	44	7%	0.069	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	115.6	174.7	179.2	-128.8	0	0	0	109.3	D62 F63 Q84 S85 G86 N87 Y89	D62-H82 PolarHBondContact O-CD2 2.82Å; F63-H82 HydrophobicContact CD1-CB 3.97Å; F63-H82 HydrophobicContact CE1-CB 3.77Å; F63-H82 AromaticContact CE1-CD2 3.78Å; F63-H82 AromaticContact CZ-CD2 3.97Å; H82-Q84 VanDerWaalsContact C-N 3.34Å; H82-Q84 PolarHBondContact O-N 2.94Å; H82-S85 WeakPolarHBondContact CB-OG 3.39Å; H82-S85 WeakPolarHBondContact ND1-CB 3.38Å; H82-S85 PolarHBondContact ND1-OG 3.22Å; H82-S85 PolarHBondContact O-N 3.4Å; H82-G86 WeakPolarHBondContact O-CA 3.39Å; H82-G86 PolarHBondContact O-N 3.11Å; H82-N87 PolarHBondContact N-O 3.16Å; H82-Y89 HydrophobicContact CB-CD2 4Å; H82-Y89 HydrophobicContact CB-CE2 3.67Å
83	K	97.9	Very high	94.7	Very high	108 Å²	108	42 Å²	42	47%	0.47	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-44.3	-168.7	-71.1	174.8	179.3	170	0	112.9	D61 D62 D64 K81	D61-K83 WeakPolarHBondContact O-CD 3.32Å; D61-K83 VanDerWaalsContact O-CE 3.31Å; D61-K83 WeakPolarHBondContact O-CE 3.25Å; D61-K83 PolarHBondContact O-NZ 2.56Å; D62-K83 WeakPolarHBondContact O-CB 3.25Å; D62-K83 WeakPolarHBondContact O-CG 3.48Å; D62-K83 PolarHBondContact O-N 3.4Å; D64-K83 WeakPolarHBondContact OD1-CE 3.49Å; D64-K83 IonicContact OD1-NZ 3.96Å; K81-K83 PolarHBondContact O-N 2.98Å
84	Q	96.6	Very high	95.4	Very high	176 Å²	176	38 Å²	38	82%	0.822	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-47.1	-176.2	-172.1	-176.3	25.4	0	0	112.4	H82	H82-Q84 VanDerWaalsContact C-N 3.34Å; H82-Q84 PolarHBondContact O-N 2.94Å
85	S	96.7	Very high	95.9	Very high	54 Å²	54	38.6 Å²	38.6	38%	0.378	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-21.9	-175.9	67.6	0	0	0	0	114.2	H82 N87	H82-S85 WeakPolarHBondContact CB-OG 3.39Å; H82-S85 WeakPolarHBondContact ND1-CB 3.38Å; H82-S85 PolarHBondContact ND1-OG 3.22Å; H82-S85 PolarHBondContact O-N 3.4Å; S85-N87 PolarHBondContact O-N 3.03Å; S85-N87 WeakPolarHBondContact OG-CB 3.22Å; S85-N87 PolarHBondContact OG-N 3.35Å
86	G	96.2	Very high	96.2	Very high	27 Å²	27	37.7 Å²	37.7	28%	0.278	19%	0.192	S	C	.	.			trans	73.7	-0	-169.8	0	0	0	0	0	115.3	K81 H82	K81-G86 WeakPolarHBondContact CE-O 3.42Å; H82-G86 WeakPolarHBondContact O-CA 3.39Å; H82-G86 PolarHBondContact O-N 3.11Å
87	N	96.6	Very high	96.3	Very high	85 Å²	85	41.6 Å²	41.6	46%	0.455	21%	0.211	S	C	.	.			trans	-76.1	149.3	-178.3	-67.9	-24.3	0	0	0	112.4	K81 H82 S85 Y89	K81-N87 CarbonylContact C-O 3.59Å; K81-N87 WeakPolarHBondContact CA-O 3.18Å; H82-N87 PolarHBondContact N-O 3.16Å; S85-N87 PolarHBondContact O-N 3.03Å; S85-N87 WeakPolarHBondContact OG-CB 3.22Å; S85-N87 PolarHBondContact OG-N 3.35Å; N87-Y89 HydrophobicContact CB-CD2 4.44Å; N87-Y89 HydrophobicContact CB-CE2 3.58Å
88	Y	96.9	Very high	96.4	Very high	62 Å²	62	44.3 Å²	44.3	24%	0.243	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	142.2	177.6	-65	-92.9	0	0	0	111.3	I66 L79 V80 K81 P355 A356	I66-Y88 HydrophobicContact CD1-CD1 3.71Å; I66-Y88 HydrophobicContact CD1-CE1 3.45Å; I66-Y88 VanDerWaalsContact CD1-CE1 3.45Å; L79-Y88 HydrophobicContact CD1-CD1 4.12Å; L79-Y88 HydrophobicContact CG-CD1 4.4Å; V80-Y88 CarbonylContact O-C 3.58Å; V80-Y88 VanDerWaalsContact O-CA 3.3Å; V80-Y88 WeakPolarHBondContact O-CA 3.23Å; K81-Y88 HydrophobicContact CB-CD1 4.05Å; K81-Y88 HydrophobicContact CB-CE1 3.96Å; K81-Y88 HydrophobicContact CD-CE1 4.13Å; K81-Y88 HydrophobicContact CG-CD1 4.45Å; K81-Y88 HydrophobicContact CG-CE1 4.2Å; Y88-P355 HydrophobicContact CD2-CB 3.71Å; Y88-P355 HydrophobicContact CD2-CG 3.95Å; Y88-P355 HydrophobicContact CE2-CB 3.98Å; Y88-P355 HydrophobicContact CE2-CG 3.67Å; Y88-A356 HydrophobicContact CD1-CB 3.76Å; Y88-A356 HydrophobicContact CE1-CB 3.43Å; Y88-A356 VanDerWaalsContact CE1-CB 3.43Å; Y88-A356 HydrophobicContact CE2-CB 4.29Å; Y88-A356 HydrophobicContact CG-CB 4.32Å
89	Y	97.7	Very high	96.4	Very high	25 Å²	25	44.3 Å²	44.3	10%	0.098	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	159.1	-177.7	-63.4	-85.5	0	0	0	111.4	F63 L79 V80 H82 N87 T127 F128 V139 L140	F63-Y89 HydrophobicContact CE1-CD2 4.44Å; L79-Y89 WeakPolarHBondContact CA-O 3.34Å; V80-Y89 PolarHBondContact N-O 3.49Å; V80-Y89 PolarHBondContact O-N 3.17Å; H82-Y89 HydrophobicContact CB-CD2 4Å; H82-Y89 HydrophobicContact CB-CE2 3.67Å; N87-Y89 HydrophobicContact CB-CD2 4.44Å; N87-Y89 HydrophobicContact CB-CE2 3.58Å; Y89-T127 HydrophobicContact CE1-CG2 4.12Å; Y89-F128 HydrophobicContact CE1-CE2 4.39Å; Y89-F128 HydrophobicContact CE2-CE2 4.11Å; Y89-F128 AromaticContact CZ-CE2 3.96Å; Y89-V139 HydrophobicContact CD1-CG1 4.01Å; Y89-V139 HydrophobicContact CD2-CG1 4.28Å; Y89-V139 HydrophobicContact CG-CG1 3.65Å; Y89-L140 WeakPolarHBondContact CA-O 3.49Å; Y89-L140 WeakPolarHBondContact CB-O 3.22Å; Y89-L140 WeakPolarHBondContact CD1-O 3.21Å
90	A	96.4	Very high	96.4	Very high	14 Å²	14	46.3 Å²	46.3	12%	0.116	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	109.4	166.3	0	0	0	0	0	108.8	L69 V77 M78 L140 F142	L69-A90 HydrophobicContact CD1-CB 4.23Å; V77-A90 HydrophobicContact CG1-CB 4.01Å; M78-A90 CarbonylContact O-C 3.59Å; M78-A90 WeakPolarHBondContact O-CA 3.3Å; A90-L140 PolarHBondContact N-O 3.42Å; A90-L140 PolarHBondContact O-N 3.44Å; A90-F142 HydrophobicContact CB-CD2 4.37Å
91	M	97.2	Very high	96.3	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	108.6	176.4	-177.8	-177.5	-75.6	0	0	109.8	L60 F63 V77 M78 V80 I93 F130 Y137 M138 V139	L60-M91 HydrophobicContact CD1-CE 4.11Å; L60-M91 HydrophobicContact CD1-SD 3.82Å; F63-M91 HydrophobicContact CB-CE 3.89Å; F63-M91 HydrophobicContact CD1-CE 4.09Å; F63-M91 HydrophobicContact CD2-CE 3.56Å; F63-M91 HydrophobicContact CE2-CE 4.11Å; F63-M91 HydrophobicContact CG-CE 3.56Å; V77-M91 CarbonylContact C-O 3.58Å; V77-M91 WeakPolarHBondContact CA-O 3.37Å; M78-M91 PolarHBondContact N-O 3.3Å; M78-M91 PolarHBondContact O-N 3.28Å; V80-M91 HydrophobicContact CB-CB 4.44Å; V80-M91 HydrophobicContact CB-CE 4.47Å; V80-M91 HydrophobicContact CG1-CB 3.65Å; V80-M91 HydrophobicContact CG1-CE 4.04Å; V80-M91 HydrophobicContact CG1-CG 4.45Å; V80-M91 HydrophobicContact CG1-SD 4.01Å; V80-M91 HydrophobicContact CG2-CB 3.88Å; V80-M91 HydrophobicContact CG2-CE 4.15Å; M91-I93 HydrophobicContact CG-CD1 4.4Å; M91-I93 HydrophobicContact CG-CG1 3.84Å; M91-I93 HydrophobicContact SD-CD1 4.16Å; M91-I93 HydrophobicContact SD-CG1 4.11Å; M91-F130 HydrophobicContact CE-CE1 4.3Å; M91-F130 HydrophobicContact CE-CZ 3.87Å; M91-Y137 HydrophobicContact CG-CD1 4.09Å; M91-Y137 HydrophobicContact SD-CD1 3.68Å; M91-Y137 HydrophobicContact SD-CE1 4.19Å; M91-M138 CarbonylContact C-O 3.57Å; M91-M138 WeakPolarHBondContact CA-O 3.41Å; M91-V139 HydrophobicContact CB-CG2 4.48Å; M91-V139 HydrophobicContact CE-CG2 3.82Å; M91-V139 HydrophobicContact CG-CG2 4.16Å
92	K	95.8	Very high	96	Very high	39 Å²	39	55.8 Å²	55.8	17%	0.17	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	117.7	169.8	-178.1	169.6	174.2	-178.1	0	108.5	V77 L94 E111 Y137 M138 L140	V77-K92 HydrophobicContact CG2-CB 4.24Å; V77-K92 HydrophobicContact CG2-CG 4.28Å; K92-L94 HydrophobicContact CG-CD2 4.05Å; K92-L94 HydrophobicContact CG-CG 4.39Å; K92-E111 VanDerWaalsContact NZ-CD 3.28Å; K92-E111 IonicContact NZ-OE1 3.76Å; K92-E111 PolarHBondContact NZ-OE1 3.03Å; K92-E111 IonicContact NZ-OE2 2.8Å; K92-E111 PolarHBondContact NZ-OE2 2.94Å; K92-Y137 WeakPolarHBondContact O-CA 3.4Å; K92-M138 HydrophobicContact CB-CB 4.35Å; K92-M138 HydrophobicContact CD-CE 3.89Å; K92-M138 HydrophobicContact CG-CE 4.3Å; K92-M138 PolarHBondContact N-O 3.27Å; K92-M138 PolarHBondContact O-N 2.93Å; K92-L140 HydrophobicContact CB-CD1 3.99Å
93	I	96.2	Very high	95.8	Very high	6 Å²	6	63.9 Å²	63.9	3%	0.031	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	121.8	-175.9	-50.5	175.2	0	0	0	107.9	G75 R76 M78 M91 N135 Y137 F371	G75-I93 WeakPolarHBondContact CA-O 3.42Å; R76-I93 HydrophobicContact CG-CD1 4.48Å; R76-I93 PolarHBondContact N-O 2.99Å; R76-I93 PolarHBondContact O-N 3.36Å; M78-I93 HydrophobicContact CB-CD1 4.49Å; M78-I93 HydrophobicContact CG-CD1 3.89Å; M78-I93 HydrophobicContact SD-CD1 3.52Å; M78-I93 VanDerWaalsContact SD-CD1 3.52Å; M91-I93 HydrophobicContact CG-CD1 4.4Å; M91-I93 HydrophobicContact CG-CG1 3.84Å; M91-I93 HydrophobicContact SD-CD1 4.16Å; M91-I93 HydrophobicContact SD-CG1 4.11Å; I93-N135 HydrophobicContact CG2-CB 3.98Å; I93-Y137 HydrophobicContact CB-CD1 4.39Å; I93-Y137 HydrophobicContact CB-CE1 4.32Å; I93-Y137 HydrophobicContact CD1-CE1 4.27Å; I93-Y137 HydrophobicContact CG1-CD1 3.91Å; I93-Y137 HydrophobicContact CG1-CE1 3.95Å; I93-Y137 HydrophobicContact CG2-CD1 4.12Å; I93-Y137 HydrophobicContact CG2-CE1 3.63Å; I93-F371 HydrophobicContact CD1-CE1 3.85Å; I93-F371 HydrophobicContact CD1-CZ 4.14Å; I93-F371 HydrophobicContact CG2-CZ 4.32Å
94	L	95.7	Very high	95.6	Very high	5 Å²	5	61.8 Å²	61.8	3%	0.026	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	125.8	-177.4	-52.3	174.3	0	0	0	110.5	F74 K92 K96 V99 T108 N135 L136 M138	F74-L94 HydrophobicContact CB-CD2 3.92Å; F74-L94 HydrophobicContact CD2-CD2 4.36Å; K92-L94 HydrophobicContact CG-CD2 4.05Å; K92-L94 HydrophobicContact CG-CG 4.39Å; L94-K96 PolarHBondContact O-N 3.36Å; L94-V99 HydrophobicContact CB-CG2 4.19Å; L94-T108 HydrophobicContact CD1-CG2 3.51Å; L94-N135 CarbonylContact O-C 3.46Å; L94-N135 WeakPolarHBondContact O-CA 3.38Å; L94-L136 HydrophobicContact CB-CB 4.28Å; L94-L136 PolarHBondContact N-O 2.87Å; L94-L136 PolarHBondContact O-N 3.2Å; L94-M138 HydrophobicContact CD1-CE 3.66Å
95	D	95.1	Very high	95.5	Very high	42 Å²	42	54.7 Å²	54.7	23%	0.225	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	119.6	176.8	176.9	-49.1	0	0	0	110.3	F74 Q97 K98 V99	F74-D95 WeakPolarHBondContact O-CB 3.25Å; F74-D95 PolarHBondContact O-N 3.41Å; D95-Q97 VanDerWaalsContact C-N 3.29Å; D95-Q97 PolarHBondContact O-N 2.76Å; D95-Q97 WeakPolarHBondContact OD1-CA 3.49Å; D95-Q97 VanDerWaalsContact OD1-CB 3.3Å; D95-Q97 WeakPolarHBondContact OD1-CB 3.41Å; D95-Q97 PolarHBondContact OD1-N 3.42Å; D95-K98 HydrophobicContact CB-CB 4.04Å; D95-K98 HydrophobicContact CB-CD 3.94Å; D95-K98 HydrophobicContact CB-CG 3.95Å; D95-K98 PolarHBondContact O-N 2.74Å; D95-K98 PolarHBondContact OD1-N 2.51Å; D95-V99 VanDerWaalsContact O-CG2 3.32Å; D95-V99 WeakPolarHBondContact O-CG2 3.35Å; D95-V99 PolarHBondContact O-N 3.16Å
96	K	95.9	Very high	95.3	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-57.3	-41.2	-177.9	-72.1	-178.3	-177.1	-179.9	0	112	L94 V99 V100 D132 S134 L136 Q378 L379 E380 F383	L94-K96 PolarHBondContact O-N 3.36Å; K96-V99 PolarHBondContact O-N 2.85Å; K96-V100 WeakPolarHBondContact O-CG2 2.91Å; K96-V100 PolarHBondContact O-N 2.68Å; K96-D132 WeakPolarHBondContact CE-O 3.29Å; K96-D132 PolarHBondContact NZ-O 3.09Å; K96-S134 VanDerWaalsContact CB-O 3.31Å; K96-S134 WeakPolarHBondContact CB-O 3.49Å; K96-S134 VanDerWaalsContact CG-O 3.31Å; K96-S134 WeakPolarHBondContact CG-O 3.34Å; K96-S134 PolarHBondContact N-O 3.19Å; K96-L136 HydrophobicContact CD-CD2 4.36Å; K96-L136 HydrophobicContact CG-CD2 3.92Å; K96-L136 HydrophobicContact CG-CG 3.99Å; K96-Q378 VanDerWaalsContact CD-O 3.25Å; K96-Q378 WeakPolarHBondContact CD-O 3.42Å; K96-Q378 PolarHBondContact NZ-O 3.29Å; K96-L379 HydrophobicContact CB-CD1 3.99Å; K96-E380 IonicContact NZ-OE2 2.69Å; K96-E380 PolarHBondContact NZ-OE2 2.97Å; K96-E380 VanDerWaalsContact NZ-OE2 3.1Å; K96-F383 HydrophobicContact CB-CD2 4.34Å; K96-F383 HydrophobicContact CB-CE2 3.86Å; K96-F383 HydrophobicContact CD-CD2 3.94Å; K96-F383 HydrophobicContact CD-CE2 4.3Å; K96-F383 HydrophobicContact CG-CD2 3.91Å; K96-F383 HydrophobicContact CG-CE2 3.86Å
97	Q	94.7	Very high	95.1	Very high	102 Å²	102	61.2 Å²	61.2	48%	0.477	29%	0.289	S	S	.	.	H	α-helix	trans	-66.8	-42.3	-179.1	-59.5	-171.9	-5.8	0	0	111.2	D95 V100 K101 Q378 L379	D95-Q97 VanDerWaalsContact C-N 3.29Å; D95-Q97 PolarHBondContact O-N 2.76Å; D95-Q97 WeakPolarHBondContact OD1-CA 3.49Å; D95-Q97 VanDerWaalsContact OD1-CB 3.3Å; D95-Q97 WeakPolarHBondContact OD1-CB 3.41Å; D95-Q97 PolarHBondContact OD1-N 3.42Å; Q97-V100 PolarHBondContact O-N 2.83Å; Q97-K101 WeakPolarHBondContact O-CB 3.42Å; Q97-K101 PolarHBondContact O-N 3.41Å; Q97-Q378 VanDerWaalsContact NE2-CD 3.34Å; Q97-L379 HydrophobicContact CG-CD1 4.18Å
98	K	94.8	Very high	95	Very high	101 Å²	101	57.2 Å²	57.2	44%	0.439	27%	0.267	S	S	.	.	H	α-helix	trans	-64.1	-43.3	176.1	-67.2	-176.5	-172.5	173.1	0	111.5	D95 V100 K101 L102	D95-K98 HydrophobicContact CB-CB 4.04Å; D95-K98 HydrophobicContact CB-CD 3.94Å; D95-K98 HydrophobicContact CB-CG 3.95Å; D95-K98 PolarHBondContact O-N 2.74Å; D95-K98 PolarHBondContact OD1-N 2.51Å; K98-V100 PolarHBondContact O-N 2.83Å; K98-K101 PolarHBondContact O-N 3.2Å; K98-L102 WeakPolarHBondContact O-CB 3.25Å; K98-L102 WeakPolarHBondContact O-CG 3.2Å; K98-L102 PolarHBondContact O-N 2.95Å
99	V	95.4	Very high	94.9	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-59	-46.6	177	172.9	0	0	0	0	110.9	F74 L94 D95 K96 K103 Q104 V105 F383	F74-V99 HydrophobicContact CB-CG2 3.99Å; F74-V99 HydrophobicContact CD1-CG2 4.45Å; F74-V99 HydrophobicContact CG-CG2 4.16Å; L94-V99 HydrophobicContact CB-CG2 4.19Å; D95-V99 VanDerWaalsContact O-CG2 3.32Å; D95-V99 WeakPolarHBondContact O-CG2 3.35Å; D95-V99 PolarHBondContact O-N 3.16Å; K96-V99 PolarHBondContact O-N 2.85Å; V99-K103 PolarHBondContact O-N 3.46Å; V99-K103 VanDerWaalsContact O-N 3.16Å; V99-Q104 HydrophobicContact CG1-CB 4.31Å; V99-Q104 PolarHBondContact O-N 3.32Å; V99-V105 HydrophobicContact CG1-CG2 4.16Å; V99-F383 HydrophobicContact CB-CZ 4.2Å; V99-F383 HydrophobicContact CG1-CE1 4.08Å; V99-F383 HydrophobicContact CG1-CZ 3.79Å
100	V	94.9	Very high	94.8	Very high	44 Å²	44	57 Å²	57	27%	0.267	27%	0.272	S	S	.	.	H	α-helix	trans	-67	-46.9	178	172	0	0	0	0	111.7	K96 Q97 K98 L102 K103 V105 L379 L382 F383	K96-V100 WeakPolarHBondContact O-CG2 2.91Å; K96-V100 PolarHBondContact O-N 2.68Å; Q97-V100 PolarHBondContact O-N 2.83Å; K98-V100 PolarHBondContact O-N 2.83Å; V100-L102 PolarHBondContact O-N 3.01Å; V100-K103 WeakPolarHBondContact O-CA 3.41Å; V100-K103 PolarHBondContact O-N 3.14Å; V100-V105 HydrophobicContact CB-CG2 4.48Å; V100-V105 HydrophobicContact CG2-CG2 3.69Å; V100-L379 HydrophobicContact CB-CD1 4.14Å; V100-L379 HydrophobicContact CG1-CD2 4.48Å; V100-L379 HydrophobicContact CG2-CD1 3.73Å; V100-L379 HydrophobicContact CG2-CD2 4.29Å; V100-L379 HydrophobicContact CG2-CG 4.41Å; V100-L382 HydrophobicContact CG1-CD1 4.3Å; V100-L382 HydrophobicContact CG2-CD1 3.62Å; V100-F383 HydrophobicContact CG2-CE2 3.93Å; V100-F383 HydrophobicContact CG2-CZ 4.08Å
101	K	94.5	Very high	94.8	Very high	178 Å²	178	56.6 Å²	56.6	77%	0.774	27%	0.268	S	S	*	.	H	α-helix	trans	-57.8	-38.4	179.4	-177.8	179.1	178.5	-179.5	0	112.1	Q97 K98 K103	Q97-K101 WeakPolarHBondContact O-CB 3.42Å; Q97-K101 PolarHBondContact O-N 3.41Å; K98-K101 PolarHBondContact O-N 3.2Å; K101-K103 VanDerWaalsContact C-N 3.29Å
102	L	92.7	Very high	94.7	Very high	89 Å²	89	56.8 Å²	56.8	47%	0.466	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	3.1	177.9	-64.9	173.5	0	0	0	113.3	F74 K98 V100 Q104	F74-L102 HydrophobicContact CD1-CD1 3.67Å; F74-L102 HydrophobicContact CE1-CB 3.98Å; F74-L102 HydrophobicContact CE1-CD1 3.5Å; F74-L102 VanDerWaalsContact CE1-CD1 3.5Å; F74-L102 HydrophobicContact CE1-CG 4.37Å; K98-L102 WeakPolarHBondContact O-CB 3.25Å; K98-L102 WeakPolarHBondContact O-CG 3.2Å; K98-L102 PolarHBondContact O-N 2.95Å; V100-L102 PolarHBondContact O-N 3.01Å; L102-Q104 VanDerWaalsContact C-N 3.34Å; L102-Q104 HydrophobicContact CB-CG 4.19Å; L102-Q104 WeakPolarHBondContact O-CG 3.48Å; L102-Q104 PolarHBondContact O-N 3.46Å
103	K	93.2	Very high	94.7	Very high	185 Å²	185	59.3 Å²	59.3	80%	0.804	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.7	40.8	178.9	-55.4	-178.7	179.1	-178.9	0	113.3	V99 V100 K101	V99-K103 PolarHBondContact O-N 3.46Å; V99-K103 VanDerWaalsContact O-N 3.16Å; V100-K103 WeakPolarHBondContact O-CA 3.41Å; V100-K103 PolarHBondContact O-N 3.14Å; K101-K103 VanDerWaalsContact C-N 3.29Å
104	Q	93.6	Very high	94.8	Very high	63 Å²	63	59 Å²	59	29%	0.294	28%	0.276	S	S	.	.			trans	-109.4	16.5	-175.7	-63.8	-62.6	-31.9	0	0	113.8	F74 V99 L102 E106 H107 T108	F74-Q104 HydrophobicContact CE1-CB 4.11Å; F74-Q104 HydrophobicContact CE1-CG 3.76Å; F74-Q104 HydrophobicContact CZ-CB 3.96Å; F74-Q104 HydrophobicContact CZ-CG 3.59Å; V99-Q104 HydrophobicContact CG1-CB 4.31Å; V99-Q104 PolarHBondContact O-N 3.32Å; L102-Q104 VanDerWaalsContact C-N 3.34Å; L102-Q104 HydrophobicContact CB-CG 4.19Å; L102-Q104 WeakPolarHBondContact O-CG 3.48Å; L102-Q104 PolarHBondContact O-N 3.46Å; Q104-E106 PolarHBondContact O-N 2.89Å; Q104-H107 HydrophobicContact CB-CB 4.4Å; Q104-H107 WeakPolarHBondContact O-CB 3.5Å; Q104-H107 PolarHBondContact O-N 2.88Å; Q104-H107 VanDerWaalsContact OE1-CB 3.23Å; Q104-T108 PolarHBondContact O-N 3.36Å; Q104-T108 PolarHBondContact O-OG1 3.36Å
105	V	94.5	Very high	94.8	Very high	28 Å²	28	58.9 Å²	58.9	17%	0.17	28%	0.275	C	S	.	.	H	α-helix	trans	-55.8	-55.7	-179.4	178.9	0	0	0	0	111.6	V99 V100 H107 T108 L109 L382 F383	V99-V105 HydrophobicContact CG1-CG2 4.16Å; V100-V105 HydrophobicContact CB-CG2 4.48Å; V100-V105 HydrophobicContact CG2-CG2 3.69Å; V105-H107 VanDerWaalsContact C-N 3.27Å; V105-H107 PolarHBondContact O-N 3.09Å; V105-T108 PolarHBondContact O-N 2.84Å; V105-L109 HydrophobicContact CG1-CD1 3.93Å; V105-L109 WeakPolarHBondContact O-CG 3.42Å; V105-L109 PolarHBondContact O-N 2.87Å; V105-L382 HydrophobicContact CG1-CB 4.42Å; V105-F383 HydrophobicContact CB-CE1 4.39Å; V105-F383 HydrophobicContact CG1-CD1 4.38Å; V105-F383 HydrophobicContact CG1-CE1 3.84Å; V105-F383 HydrophobicContact CG1-CZ 4.23Å; V105-F383 HydrophobicContact CG2-CE1 4.29Å; V105-F383 HydrophobicContact CG2-CZ 3.92Å
106	E	93.3	Very high	94.9	Very high	170 Å²	170	58.3 Å²	58.3	79%	0.794	27%	0.271	S	S	*	.	H	α-helix	trans	-61.5	-36.8	-179.6	-66.1	-171.2	161.9	0	0	112.4	Q104 N110	Q104-E106 PolarHBondContact O-N 2.89Å; E106-N110 WeakPolarHBondContact O-CB 3.49Å; E106-N110 PolarHBondContact O-N 3.45Å
107	H	92.4	Very high	94.9	Very high	47 Å²	47	58.4 Å²	58.4	22%	0.218	27%	0.271	C	S	.	.	H	α-helix	trans	-63.7	-49	178.1	178	90.6	0	0	0	111.2	Q104 V105 N110 E111 G206 F207	Q104-H107 HydrophobicContact CB-CB 4.4Å; Q104-H107 WeakPolarHBondContact O-CB 3.5Å; Q104-H107 PolarHBondContact O-N 2.88Å; Q104-H107 VanDerWaalsContact OE1-CB 3.23Å; V105-H107 VanDerWaalsContact C-N 3.27Å; V105-H107 PolarHBondContact O-N 3.09Å; H107-N110 PolarHBondContact O-N 2.93Å; H107-E111 PolarHBondContact O-N 3.45Å; H107-G206 PolarHBondContact CE1-O 3.16Å; H107-G206 PolarHBondContact ND1-O 3.01Å; H107-G206 PolarHBondContact NE2-O 2.94Å; H107-F207 AromaticContact CE1-CD1 3.84Å
108	T	94.5	Very high	95.1	Very high	1 Å²	1	53.7 Å²	53.7	1%	0.006	25%	0.25	C	C	.	.	H	α-helix	trans	-62.9	-43.4	177.1	-62.3	0	0	0	0	112.2	L94 Q104 V105 E111 K112 L136 F386	L94-T108 HydrophobicContact CD1-CG2 3.51Å; Q104-T108 PolarHBondContact O-N 3.36Å; Q104-T108 PolarHBondContact O-OG1 3.36Å; V105-T108 PolarHBondContact O-N 2.84Å; T108-E111 PolarHBondContact O-N 2.8Å; T108-K112 PolarHBondContact O-N 2.87Å; T108-L136 HydrophobicContact CG2-CD1 3.83Å; T108-F386 HydrophobicContact CG2-CE2 4.11Å
109	L	94.6	Very high	95.2	Very high	40 Å²	40	52.7 Å²	52.7	21%	0.209	25%	0.249	C	C	.	.	H	α-helix	trans	-64.6	-39.9	176.9	-69.5	173.4	0	0	0	111.9	V105 R113 F383 F386	V105-L109 HydrophobicContact CG1-CD1 3.93Å; V105-L109 WeakPolarHBondContact O-CG 3.42Å; V105-L109 PolarHBondContact O-N 2.87Å; L109-R113 VanDerWaalsContact O-CB 3.3Å; L109-R113 WeakPolarHBondContact O-CB 3.38Å; L109-R113 PolarHBondContact O-N 3.08Å; L109-F383 HydrophobicContact CD2-CD1 4.38Å; L109-F386 HydrophobicContact CD2-CB 4.07Å; L109-F386 HydrophobicContact CD2-CD2 4.03Å
110	N	94.9	Very high	95.3	Very high	43 Å²	43	53.2 Å²	53.2	23%	0.23	25%	0.252	C	S	.	.	H	α-helix	trans	-66.4	-42.7	176	173.1	83.7	0	0	0	112.1	E106 H107 R113 I114 A208	E106-N110 WeakPolarHBondContact O-CB 3.49Å; E106-N110 PolarHBondContact O-N 3.45Å; H107-N110 PolarHBondContact O-N 2.93Å; N110-R113 PolarHBondContact O-N 3.38Å; N110-I114 WeakPolarHBondContact ND2-CD1 3.4Å; N110-I114 WeakPolarHBondContact O-CG1 3.49Å; N110-I114 PolarHBondContact O-N 2.71Å; N110-A208 PolarHBondContact ND2-O 2.73Å
111	E	96.2	Very high	95.3	Very high	6 Å²	6	52.8 Å²	52.8	3%	0.028	25%	0.25	C	C	.	.	H	α-helix	trans	-56.7	-53.3	174.3	-178.1	-175.4	-173.6	0	0	110.6	K92 H107 T108 R113 I114 L115 F205	K92-E111 VanDerWaalsContact NZ-CD 3.28Å; K92-E111 IonicContact NZ-OE1 3.76Å; K92-E111 PolarHBondContact NZ-OE1 3.03Å; K92-E111 IonicContact NZ-OE2 2.8Å; K92-E111 PolarHBondContact NZ-OE2 2.94Å; H107-E111 PolarHBondContact O-N 3.45Å; T108-E111 PolarHBondContact O-N 2.8Å; E111-R113 VanDerWaalsContact C-N 3.32Å; E111-R113 PolarHBondContact O-N 2.93Å; E111-I114 PolarHBondContact O-N 3.25Å; E111-L115 HydrophobicContact CG-CD1 3.94Å; E111-L115 WeakPolarHBondContact O-CG 2.86Å; E111-L115 PolarHBondContact O-N 3.28Å; E111-F205 HydrophobicContact CG-CB 4.24Å
112	K	95.7	Very high	95.5	Very high	4 Å²	4	44.3 Å²	44.3	2%	0.017	21%	0.213	C	C	.	.	H	α-helix	trans	-53.2	-50.6	176	-178.8	-148.9	152	-171.6	0	110.7	T108 I114 L115 Q116 M126 M138 E385 F386	T108-K112 PolarHBondContact O-N 2.87Å; K112-I114 VanDerWaalsContact C-N 3.31Å; K112-I114 PolarHBondContact O-N 3.02Å; K112-L115 PolarHBondContact O-N 2.97Å; K112-Q116 VanDerWaalsContact CE-OE1 3.27Å; K112-Q116 HydrophobicContact CG-CG 4.49Å; K112-Q116 WeakPolarHBondContact O-CG 3.26Å; K112-Q116 PolarHBondContact O-N 3.46Å; K112-M126 HydrophobicContact CG-CE 4.06Å; K112-M138 HydrophobicContact CB-SD 4.11Å; K112-E385 PolarHBondContact NZ-O 3.3Å; K112-F386 HydrophobicContact CB-CE2 3.98Å; K112-F386 HydrophobicContact CD-CD1 4.35Å; K112-F386 HydrophobicContact CD-CD2 3.76Å; K112-F386 HydrophobicContact CD-CE1 4.39Å; K112-F386 HydrophobicContact CD-CE2 3.84Å; K112-F386 HydrophobicContact CD-CG 4.01Å; K112-F386 HydrophobicContact CD-CZ 4.14Å; K112-F386 WeakPolarHBondContact CD-OXT 3.47Å; K112-F386 WeakPolarHBondContact CE-OXT 3.35Å; K112-F386 HydrophobicContact CG-CD2 4.45Å; K112-F386 HydrophobicContact CG-CE2 4.03Å; K112-F386 HydrophobicContact CG-CZ 4.21Å; K112-F386 PolarHBondContact NZ-OXT 2.81Å
113	R	96.1	Very high	95.8	Very high	91 Å²	91	40.2 Å²	40.2	34%	0.343	19%	0.191	S	C	.	.	H	α-helix	trans	-61.3	-38.2	-177.3	-168.4	176.2	-174.1	149.5	5.9	112.7	W50 L109 N110 E111 A117	W50-R113 HydrophobicContact CD2-CG 4.26Å; W50-R113 HydrophobicContact CE3-CG 3.92Å; W50-R113 HydrophobicContact CH2-CB 4.46Å; W50-R113 HydrophobicContact CH2-CG 3.91Å; W50-R113 HydrophobicContact CZ2-CG 4.24Å; W50-R113 HydrophobicContact CZ3-CB 4.32Å; W50-R113 HydrophobicContact CZ3-CG 3.74Å; W50-R113 PolarHBondContact O-NE 3.34Å; W50-R113 PolarHBondContact O-NH2 3.1Å; L109-R113 VanDerWaalsContact O-CB 3.3Å; L109-R113 WeakPolarHBondContact O-CB 3.38Å; L109-R113 PolarHBondContact O-N 3.08Å; N110-R113 PolarHBondContact O-N 3.38Å; E111-R113 VanDerWaalsContact C-N 3.32Å; E111-R113 PolarHBondContact O-N 2.93Å; R113-A117 WeakPolarHBondContact O-CB 3.39Å; R113-A117 PolarHBondContact O-N 3.34Å
114	I	97.6	Very high	96	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-65.4	-52.4	174	-69.6	169.5	0	0	0	109.9	W50 N110 E111 K112 Q116 A117 I118 L182 F205 A208	W50-I114 HydrophobicContact CH2-CG1 4.28Å; W50-I114 HydrophobicContact CZ3-CG1 3.88Å; N110-I114 WeakPolarHBondContact ND2-CD1 3.4Å; N110-I114 WeakPolarHBondContact O-CG1 3.49Å; N110-I114 PolarHBondContact O-N 2.71Å; E111-I114 PolarHBondContact O-N 3.25Å; K112-I114 VanDerWaalsContact C-N 3.31Å; K112-I114 PolarHBondContact O-N 3.02Å; I114-Q116 VanDerWaalsContact C-N 3.26Å; I114-Q116 PolarHBondContact O-N 2.91Å; I114-A117 PolarHBondContact O-N 3.28Å; I114-I118 HydrophobicContact CG2-CD1 4.36Å; I114-I118 HydrophobicContact CG2-CG2 4.01Å; I114-I118 WeakPolarHBondContact O-CG1 3.36Å; I114-I118 PolarHBondContact O-N 3.28Å; I114-L182 HydrophobicContact CD1-CD2 3.92Å; I114-L182 HydrophobicContact CG1-CD2 3.85Å; I114-L182 HydrophobicContact CG2-CD1 4.06Å; I114-L182 HydrophobicContact CG2-CD2 4.41Å; I114-F205 HydrophobicContact CG2-CB 4.48Å; I114-F205 HydrophobicContact CG2-CD1 3.74Å; I114-F205 HydrophobicContact CG2-CE1 4.38Å; I114-F205 HydrophobicContact CG2-CG 4.38Å; I114-A208 HydrophobicContact CD1-CB 3.82Å; I114-A208 WeakPolarHBondContact CD1-O 3.44Å
115	L	97.4	Very high	96.1	Very high	3 Å²	3	31.1 Å²	31.1	2%	0.016	15%	0.153	C	C	.	.	H	α-helix	trans	-58.5	-34.4	-177.8	-74.9	171.8	0	0	0	113.4	E111 K112 A117 I118 V124 M126 M138 L140 F205	E111-L115 HydrophobicContact CG-CD1 3.94Å; E111-L115 WeakPolarHBondContact O-CG 2.86Å; E111-L115 PolarHBondContact O-N 3.28Å; K112-L115 PolarHBondContact O-N 2.97Å; L115-A117 VanDerWaalsContact C-N 3.33Å; L115-I118 HydrophobicContact CD2-CD1 4.37Å; L115-V124 HydrophobicContact CD2-CG1 4.22Å; L115-M126 HydrophobicContact CB-CB 3.98Å; L115-M126 HydrophobicContact CB-CE 3.84Å; L115-M126 HydrophobicContact CB-SD 4.05Å; L115-M126 HydrophobicContact CD1-SD 4.2Å; L115-M138 HydrophobicContact CD1-SD 3.89Å; L115-L140 HydrophobicContact CD1-CD2 4.13Å; L115-L140 HydrophobicContact CD2-CD2 4.29Å; L115-F205 HydrophobicContact CD2-CB 4.2Å; L115-F205 HydrophobicContact CD2-CD2 3.63Å; L115-F205 HydrophobicContact CD2-CE2 4.26Å; L115-F205 HydrophobicContact CD2-CG 4.05Å; L115-F205 HydrophobicContact CG-CB 4.28Å
116	Q	95.8	Very high	96.2	Very high	30 Å²	30	30.5 Å²	30.5	14%	0.14	15%	0.149	C	C	.	.	H	α-helix	trans	-70.3	-29.1	175.2	-71.2	-172.1	-38.2	0	0	113.5	A54 K112 I114 M126 S129	A54-Q116 PolarHBondContact O-NE2 2.73Å; K112-Q116 VanDerWaalsContact CE-OE1 3.27Å; K112-Q116 HydrophobicContact CG-CG 4.49Å; K112-Q116 WeakPolarHBondContact O-CG 3.26Å; K112-Q116 PolarHBondContact O-N 3.46Å; I114-Q116 VanDerWaalsContact C-N 3.26Å; I114-Q116 PolarHBondContact O-N 2.91Å; Q116-M126 HydrophobicContact CB-CE 4.23Å; Q116-M126 HydrophobicContact CG-CE 3.14Å; Q116-S129 PolarHBondContact NE2-OG 3.43Å
117	A	96.8	Very high	96.4	Very high	1 Å²	1	25 Å²	25	1%	0.008	13%	0.127	C	C	.	.	H	α-helix	trans	-95.7	-26.8	-171.4	0	0	0	0	0	113.4	F46 R49 W50 R113 I114 L115	F46-A117 HydrophobicContact CD2-CB 3.52Å; F46-A117 WeakPolarHBondContact CD2-O 3.29Å; F46-A117 HydrophobicContact CE2-CB 3.43Å; F46-A117 VanDerWaalsContact CE2-CB 3.43Å; F46-A117 HydrophobicContact CG-CB 4.44Å; F46-A117 HydrophobicContact CZ-CB 4.28Å; R49-A117 HydrophobicContact CB-CB 4.12Å; W50-A117 HydrophobicContact CB-CB 4.18Å; W50-A117 HydrophobicContact CE3-CB 3.92Å; R113-A117 WeakPolarHBondContact O-CB 3.39Å; R113-A117 PolarHBondContact O-N 3.34Å; I114-A117 PolarHBondContact O-N 3.28Å; L115-A117 VanDerWaalsContact C-N 3.33Å
118	I	97.8	Very high	96.6	Very high	3 Å²	3	24.5 Å²	24.5	2%	0.015	13%	0.125	C	C	.	.			trans	-81.8	150.5	179.4	64.6	172.1	0	0	0	112.5	F46 I114 L115 L123 Y176 L177 L180 L182 F205	F46-I118 HydrophobicContact CD2-CG2 4.4Å; F46-I118 HydrophobicContact CE2-CG2 4.23Å; I114-I118 HydrophobicContact CG2-CD1 4.36Å; I114-I118 HydrophobicContact CG2-CG2 4.01Å; I114-I118 WeakPolarHBondContact O-CG1 3.36Å; I114-I118 PolarHBondContact O-N 3.28Å; L115-I118 HydrophobicContact CD2-CD1 4.37Å; I118-L123 HydrophobicContact CB-CD1 4.49Å; I118-L123 HydrophobicContact CD1-CB 4.37Å; I118-L123 HydrophobicContact CD1-CD1 3.97Å; I118-Y176 WeakPolarHBondContact CA-OH 3.49Å; I118-Y176 HydrophobicContact CB-CE1 4.13Å; I118-Y176 HydrophobicContact CG2-CE1 4.29Å; I118-L177 HydrophobicContact CG2-CD2 3.96Å; I118-L180 HydrophobicContact CG2-CD1 4.34Å; I118-L182 HydrophobicContact CG2-CD1 3.53Å; I118-F205 HydrophobicContact CD1-CD1 4.08Å; I118-F205 HydrophobicContact CD1-CD2 4.37Å; I118-F205 HydrophobicContact CD1-CE1 3.53Å; I118-F205 HydrophobicContact CD1-CE2 3.85Å; I118-F205 HydrophobicContact CD1-CG 4.46Å; I118-F205 HydrophobicContact CD1-CZ 3.38Å
119	D	96.5	Very high	96.7	Very high	81 Å²	81	24.6 Å²	24.6	43%	0.433	13%	0.125	S	C	.	.			trans	-159.8	102.8	-180	-170	1.1	0	0	0	110	R49 Y176	R49-D119 IonicContact CZ-OD2 3.68Å; R49-D119 IonicContact NH1-OD2 2.61Å; R49-D119 PolarHBondContact NH1-OD2 3.03Å; R49-D119 IonicContact NH2-OD2 2.78Å; R49-D119 PolarHBondContact NH2-OD2 3.23Å; D119-Y176 PolarHBondContact N-OH 3.07Å; D119-Y176 PolarHBondContact O-OH 3.35Å
120	F	97.5	Very high	96.8	Very high	11 Å²	11	22.9 Å²	22.9	5%	0.048	12%	0.116	C	C	.	.			trans	-155.3	142.5	-176.7	-161.9	-106.4	0	0	0	111	F38 F122 L123 L172 A173 Y176 Y326	F38-F120 HydrophobicContact CE1-CD2 4.38Å; F38-F120 AromaticContact CE1-CE2 3.78Å; F38-F120 HydrophobicContact CE1-CE2 3.78Å; F38-F120 HydrophobicContact CZ-CD2 4.07Å; F38-F120 AromaticContact CZ-CE2 3.78Å; F38-F120 HydrophobicContact CZ-CE2 3.78Å; F120-F122 HydrophobicContact CD1-CB 4.4Å; F120-F122 HydrophobicContact CD1-CD2 4.31Å; F120-F122 AromaticContact CE1-CD2 3.72Å; F120-F122 HydrophobicContact CE1-CD2 3.72Å; F120-F122 HydrophobicContact CE1-CE2 4.27Å; F120-F122 HydrophobicContact CE1-CG 4.46Å; F120-F122 PolarHBondContact O-N 3.31Å; F120-L123 HydrophobicContact CB-CB 4.34Å; F120-L123 HydrophobicContact CB-CD1 3.72Å; F120-L123 HydrophobicContact CB-CG 3.85Å; F120-L123 HydrophobicContact CD1-CG 4.33Å; F120-L123 PolarHBondContact O-N 3.17Å; F120-L172 HydrophobicContact CE1-CB 4.06Å; F120-L172 HydrophobicContact CZ-CB 4Å; F120-L172 WeakPolarHBondContact CZ-O 3.42Å; F120-A173 HydrophobicContact CD1-CB 4.23Å; F120-A173 HydrophobicContact CE1-CB 4.24Å; F120-Y176 HydrophobicContact CB-CD1 3.8Å; F120-Y176 HydrophobicContact CB-CD2 4.43Å; F120-Y176 HydrophobicContact CB-CE1 3.87Å; F120-Y176 HydrophobicContact CB-CE2 4.44Å; F120-Y176 HydrophobicContact CB-CG 4.11Å; F120-Y176 HydrophobicContact CD2-CD1 4.08Å; F120-Y176 AromaticContact CD2-CD2 3.5Å; F120-Y176 HydrophobicContact CD2-CD2 3.5Å; F120-Y176 VanDerWaalsContact CD2-CD2 3.5Å; F120-Y176 HydrophobicContact CD2-CE2 4.07Å; F120-Y176 AromaticContact CD2-CG 3.49Å; F120-Y176 HydrophobicContact CD2-CG 3.49Å; F120-Y176 VanDerWaalsContact CD2-CG 3.49Å; F120-Y176 HydrophobicContact CE2-CD2 4.04Å; F120-Y176 HydrophobicContact CE2-CG 4.01Å; F120-Y176 AromaticContact CG-CD1 3.94Å; F120-Y176 HydrophobicContact CG-CD1 3.94Å; F120-Y176 HydrophobicContact CG-CD2 4.19Å; F120-Y176 HydrophobicContact CG-CE1 4.46Å; F120-Y176 AromaticContact CG-CG 3.8Å; F120-Y176 HydrophobicContact CG-CG 3.8Å; F120-Y326 HydrophobicContact CD2-CE2 4.24Å; F120-Y326 AromaticContact CE2-CD2 3.99Å; F120-Y326 HydrophobicContact CE2-CD2 3.99Å; F120-Y326 AromaticContact CE2-CE2 3.53Å; F120-Y326 HydrophobicContact CE2-CE2 3.53Å; F120-Y326 AromaticContact CZ-CD2 3.81Å; F120-Y326 HydrophobicContact CZ-CD2 3.81Å; F120-Y326 AromaticContact CZ-CE2 3.83Å; F120-Y326 HydrophobicContact CZ-CE2 3.83Å
121	P	96.6	Very high	96.8	Very high	35 Å²	35	22.2 Å²	22.2	23%	0.227	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-25.9	-171	-28.6	35.8	0	0	0	116.1	K201 Y326	P121-K201 VanDerWaalsContact O-CE 3.24Å; P121-K201 WeakPolarHBondContact O-CE 3.48Å; P121-K201 PolarHBondContact O-NZ 3.02Å; P121-Y326 HydrophobicContact CG-CD2 4.2Å; P121-Y326 HydrophobicContact CG-CE2 3.67Å
122	F	98.2	Very high	96.7	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.7	9.8	-178.6	-47.4	-43.4	0	0	0	113.7	F120 Q169 L172 A173 Y199 L200 K201 I202 I325 K328	F120-F122 HydrophobicContact CD1-CB 4.4Å; F120-F122 HydrophobicContact CD1-CD2 4.31Å; F120-F122 AromaticContact CE1-CD2 3.72Å; F120-F122 HydrophobicContact CE1-CD2 3.72Å; F120-F122 HydrophobicContact CE1-CE2 4.27Å; F120-F122 HydrophobicContact CE1-CG 4.46Å; F120-F122 PolarHBondContact O-N 3.31Å; F122-Q169 HydrophobicContact CD1-CB 4.27Å; F122-Q169 HydrophobicContact CD1-CG 4.15Å; F122-Q169 HydrophobicContact CD2-CB 3.71Å; F122-Q169 HydrophobicContact CD2-CG 4.12Å; F122-Q169 VanDerWaalsContact CD2-O 3.31Å; F122-Q169 WeakPolarHBondContact CD2-O 3.4Å; F122-Q169 HydrophobicContact CE1-CG 3.97Å; F122-Q169 HydrophobicContact CE2-CB 3.96Å; F122-Q169 HydrophobicContact CE2-CG 3.92Å; F122-Q169 HydrophobicContact CG-CB 3.9Å; F122-Q169 HydrophobicContact CG-CG 4.25Å; F122-Q169 HydrophobicContact CZ-CB 4.35Å; F122-Q169 HydrophobicContact CZ-CG 3.84Å; F122-L172 HydrophobicContact CD2-CB 4.28Å; F122-L172 HydrophobicContact CE2-CB 4.08Å; F122-L172 HydrophobicContact CE2-CD1 3.78Å; F122-A173 HydrophobicContact CB-CB 4.47Å; F122-Y199 HydrophobicContact CD1-CD1 4.29Å; F122-Y199 AromaticContact CE1-CD1 3.58Å; F122-Y199 HydrophobicContact CE1-CD1 3.58Å; F122-Y199 HydrophobicContact CE1-CE1 4.06Å; F122-Y199 HydrophobicContact CZ-CD1 4.39Å; F122-Y199 HydrophobicContact CZ-CE1 4.48Å; F122-L200 WeakPolarHBondContact CA-O 3.29Å; F122-L200 HydrophobicContact CB-CD2 4.48Å; F122-K201 CarbonylContact O-C 3.59Å; F122-K201 WeakPolarHBondContact O-CA 3.26Å; F122-I202 PolarHBondContact O-N 3.11Å; F122-I325 HydrophobicContact CE2-CG2 4.13Å; F122-I325 HydrophobicContact CZ-CG2 3.83Å; F122-I325 WeakPolarHBondContact CZ-O 3.14Å; F122-K328 HydrophobicContact CE1-CG 4.26Å
123	L	98.4	Very high	96.7	Very high	2 Å²	2	25.3 Å²	25.3	1%	0.01	13%	0.128	C	C	.	.	B	Isolated β-bridge	trans	-108.7	146.5	172.1	-55	-178.5	0	0	0	108.2	I118 F120 A173 Y176 L177 K201 I202 F205	I118-L123 HydrophobicContact CB-CD1 4.49Å; I118-L123 HydrophobicContact CD1-CB 4.37Å; I118-L123 HydrophobicContact CD1-CD1 3.97Å; F120-L123 HydrophobicContact CB-CB 4.34Å; F120-L123 HydrophobicContact CB-CD1 3.72Å; F120-L123 HydrophobicContact CB-CG 3.85Å; F120-L123 HydrophobicContact CD1-CG 4.33Å; F120-L123 PolarHBondContact O-N 3.17Å; L123-A173 HydrophobicContact CD2-CB 3.81Å; L123-Y176 HydrophobicContact CD1-CD1 3.85Å; L123-Y176 HydrophobicContact CD1-CE1 3.87Å; L123-L177 HydrophobicContact CD1-CD1 4.39Å; L123-L177 HydrophobicContact CD1-CD2 3.81Å; L123-L177 HydrophobicContact CD1-CG 4.05Å; L123-L177 HydrophobicContact CD2-CD1 4.44Å; L123-K201 WeakPolarHBondContact O-CD 3.39Å; L123-K201 PolarHBondContact O-NZ 2.75Å; L123-I202 HydrophobicContact CD2-CB 3.71Å; L123-I202 HydrophobicContact CD2-CD1 3.84Å; L123-I202 HydrophobicContact CD2-CG1 4.02Å; L123-I202 HydrophobicContact CD2-CG2 4.42Å; L123-F205 HydrophobicContact CB-CZ 4.31Å; L123-F205 HydrophobicContact CD1-CZ 4.14Å; L123-F205 HydrophobicContact CD2-CZ 3.88Å; L123-F205 HydrophobicContact CG-CZ 4.31Å
124	V	97.6	Very high	96.6	Very high	4 Å²	4	21.6 Å²	21.6	2%	0.024	12%	0.116	C	C	.	.			trans	-64.3	135.5	171.4	72.3	0	0	0	0	109.3	L115 L140 E141 I202 F205	L115-V124 HydrophobicContact CD2-CG1 4.22Å; V124-L140 HydrophobicContact CG1-CD2 3.75Å; V124-L140 HydrophobicContact CG2-CB 3.96Å; V124-L140 HydrophobicContact CG2-CD2 4.09Å; V124-E141 HydrophobicContact CG2-CB 4.15Å; V124-I202 PolarHBondContact N-O 3.3Å; V124-F205 HydrophobicContact CG1-CE2 4.4Å
125	N	95.9	Very high	96.5	Very high	53 Å²	53	22.2 Å²	22.2	28%	0.283	12%	0.119	S	C	.	.			trans	-93.9	133.7	175.9	-179.3	-93	0	0	0	110.2	T127 L140 E141	N125-T127 PolarHBondContact OD1-OG1 2.93Å; N125-L140 CarbonylContact O-C 3.52Å; N125-L140 WeakPolarHBondContact O-CA 3.46Å; N125-E141 PolarHBondContact O-N 3.36Å
126	M	97	Very high	96.5	Very high	16 Å²	16	22 Å²	22	8%	0.079	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	115	167.1	-174.1	170.7	71.7	0	0	109.3	K112 L115 Q116 F128 M138 L140	K112-M126 HydrophobicContact CG-CE 4.06Å; L115-M126 HydrophobicContact CB-CB 3.98Å; L115-M126 HydrophobicContact CB-CE 3.84Å; L115-M126 HydrophobicContact CB-SD 4.05Å; L115-M126 HydrophobicContact CD1-SD 4.2Å; Q116-M126 HydrophobicContact CB-CE 4.23Å; Q116-M126 HydrophobicContact CG-CE 3.14Å; M126-F128 WeakPolarHBondContact CG-O 3.49Å; M126-M138 HydrophobicContact SD-CB 3.58Å; M126-M138 VanDerWaalsContact SD-CB 3.58Å; M126-M138 HydrophobicContact SD-CG 3.58Å; M126-M138 VanDerWaalsContact SD-CG 3.58Å; M126-M138 HydrophobicContact SD-SD 4.02Å; M126-L140 HydrophobicContact CB-CG 4.48Å
127	T	96.2	Very high	96.5	Very high	55 Å²	55	20.6 Å²	20.6	34%	0.337	11%	0.112	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	-38	-175.7	-50.4	0	0	0	0	111.9	Y89 N125 V139	Y89-T127 HydrophobicContact CE1-CG2 4.12Å; N125-T127 PolarHBondContact OD1-OG1 2.93Å; T127-V139 PolarHBondContact N-O 3.14Å
128	F	97.1	Very high	96.5	Very high	36 Å²	36	20.6 Å²	20.6	16%	0.158	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	151	177.7	-45.7	-86.9	0	0	0	111.7	T57 A58 F63 Y89 M126 V139	T57-F128 WeakPolarHBondContact OG1-CA 3.48Å; T57-F128 WeakPolarHBondContact OG1-CB 3.39Å; A58-F128 HydrophobicContact CB-CB 4.07Å; A58-F128 HydrophobicContact CB-CD1 3.92Å; A58-F128 HydrophobicContact CB-CG 4.16Å; F63-F128 HydrophobicContact CE1-CD2 4.12Å; F63-F128 HydrophobicContact CE1-CE2 4.26Å; F63-F128 HydrophobicContact CZ-CB 4.44Å; F63-F128 AromaticContact CZ-CD2 3.74Å; F63-F128 HydrophobicContact CZ-CD2 3.74Å; F63-F128 HydrophobicContact CZ-CE2 4.14Å; F63-F128 HydrophobicContact CZ-CG 4.1Å; Y89-F128 HydrophobicContact CE1-CE2 4.39Å; Y89-F128 HydrophobicContact CE2-CE2 4.11Å; Y89-F128 AromaticContact CZ-CE2 3.96Å; M126-F128 WeakPolarHBondContact CG-O 3.49Å; F128-V139 HydrophobicContact CB-CB 3.88Å; F128-V139 HydrophobicContact CB-CG2 4.04Å; F128-V139 HydrophobicContact CD2-CB 4.02Å; F128-V139 HydrophobicContact CD2-CG1 3.87Å; F128-V139 HydrophobicContact CG-CB 4.47Å; F128-V139 PolarHBondContact N-O 3.41Å; F128-V139 PolarHBondContact O-N 3.14Å
129	S	96.9	Very high	96.5	Very high	2 Å²	2	20.5 Å²	20.5	1%	0.014	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	133.9	169.8	58.4	0	0	0	0	110.4	N56 T57 Q116 Y137	N56-S129 WeakPolarHBondContact CA-O 3.38Å; N56-S129 PolarHBondContact N-O 2.81Å; T57-S129 PolarHBondContact N-O 3.3Å; T57-S129 PolarHBondContact OG1-N 3.48Å; T57-S129 PolarHBondContact OG1-O 3.06Å; Q116-S129 PolarHBondContact NE2-OG 3.43Å; S129-Y137 VanDerWaalsContact CA-O 3.26Å; S129-Y137 WeakPolarHBondContact CA-O 3.32Å
130	F	96.7	Very high	96.6	Very high	4 Å²	4	17.3 Å²	17.3	2%	0.018	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.8	173.1	-178.9	59.9	-87.3	0	0	0	110.8	N56 A58 L60 F63 M91 Y137 V139 F386	N56-F130 WeakPolarHBondContact OD1-CA 3.23Å; A58-F130 HydrophobicContact CB-CD1 3.94Å; A58-F130 HydrophobicContact CB-CE1 4.19Å; A58-F130 WeakPolarHBondContact O-CB 2.85Å; A58-F130 VanDerWaalsContact O-CG 3.29Å; A58-F130 WeakPolarHBondContact O-CG 3.22Å; L60-F130 HydrophobicContact CB-CE2 3.9Å; L60-F130 HydrophobicContact CB-CZ 4.41Å; L60-F130 HydrophobicContact CD1-CE2 4.26Å; L60-F130 HydrophobicContact CD1-CZ 4.24Å; L60-F130 VanDerWaalsContact N-CE2 3.29Å; F63-F130 HydrophobicContact CD2-CE1 4.32Å; F63-F130 HydrophobicContact CD2-CZ 4.24Å; F63-F130 AromaticContact CE2-CE1 3.71Å; F63-F130 HydrophobicContact CE2-CE1 3.71Å; F63-F130 HydrophobicContact CE2-CZ 4.08Å; F63-F130 HydrophobicContact CZ-CE1 4.47Å; M91-F130 HydrophobicContact CE-CE1 4.3Å; M91-F130 HydrophobicContact CE-CZ 3.87Å; F130-Y137 AromaticContact CD2-CD2 3.42Å; F130-Y137 HydrophobicContact CD2-CD2 3.42Å; F130-Y137 VanDerWaalsContact CD2-CD2 3.42Å; F130-Y137 HydrophobicContact CD2-CE2 4.17Å; F130-Y137 AromaticContact CD2-CG 3.83Å; F130-Y137 HydrophobicContact CD2-CG 3.83Å; F130-Y137 HydrophobicContact CE1-CG 4.36Å; F130-Y137 HydrophobicContact CE2-CD1 4.01Å; F130-Y137 AromaticContact CE2-CD2 3.23Å; F130-Y137 HydrophobicContact CE2-CD2 3.23Å; F130-Y137 AromaticContact CE2-CE2 3.82Å; F130-Y137 HydrophobicContact CE2-CE2 3.82Å; F130-Y137 AromaticContact CE2-CG 3.33Å; F130-Y137 HydrophobicContact CE2-CG 3.33Å; F130-Y137 HydrophobicContact CG-CD2 4.33Å; F130-Y137 HydrophobicContact CZ-CD1 4.1Å; F130-Y137 HydrophobicContact CZ-CD2 4.04Å; F130-Y137 AromaticContact CZ-CG 3.65Å; F130-Y137 HydrophobicContact CZ-CG 3.65Å; F130-Y137 PolarHBondContact N-O 2.81Å; F130-Y137 VanDerWaalsContact N-O 3.09Å; F130-Y137 WeakPolarHBondContact O-CA 3.24Å; F130-Y137 WeakPolarHBondContact O-CB 3.26Å; F130-Y137 WeakPolarHBondContact O-CD2 3.29Å; F130-Y137 PolarHBondContact O-N 3.47Å; F130-V139 HydrophobicContact CE1-CG2 3.79Å; F130-F386 VanDerWaalsContact O-CE1 3.24Å; F130-F386 WeakPolarHBondContact O-CE1 3.26Å
131	K	95.3	Very high	96.5	Very high	30 Å²	30	19.7 Å²	19.7	13%	0.13	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	158.7	175.7	60.8	178.5	173	177.3	0	110.7	N56 N135 L136 E380 F383 F386	N56-K131 PolarHBondContact OD1-N 3.41Å; K131-N135 WeakPolarHBondContact CA-O 3.31Å; K131-N135 WeakPolarHBondContact CB-O 3.38Å; K131-L136 HydrophobicContact CB-CD2 3.83Å; K131-E380 WeakPolarHBondContact CE-OE1 3.39Å; K131-E380 IonicContact NZ-OE1 3.36Å; K131-E380 PolarHBondContact NZ-OE1 3.33Å; K131-E380 IonicContact NZ-OE2 3.84Å; K131-F383 HydrophobicContact CD-CB 4.45Å; K131-F383 PolarHBondContact NZ-O 2.8Å; K131-F386 HydrophobicContact CB-CD1 4.16Å; K131-F386 HydrophobicContact CD-CB 4.36Å
132	D	94.4	Very high	96.5	Very high	29 Å²	29	19.1 Å²	19.1	16%	0.155	10%	0.099	C	C	.	.			trans	-120.7	-163	164.5	67.1	27.9	0	0	0	109.9	K96 S134 N135 Y137 I373	K96-D132 WeakPolarHBondContact CE-O 3.29Å; K96-D132 PolarHBondContact NZ-O 3.09Å; D132-S134 PolarHBondContact O-N 3.39Å; D132-S134 WeakPolarHBondContact OD1-CA 3.49Å; D132-S134 PolarHBondContact OD1-N 3.24Å; D132-N135 PolarHBondContact N-O 3.27Å; D132-N135 PolarHBondContact OD1-N 3.14Å; D132-Y137 HydrophobicContact CB-CE2 4.17Å; D132-Y137 VanDerWaalsContact OD2-CE2 3.28Å; D132-Y137 WeakPolarHBondContact OD2-CE2 3.49Å; D132-Y137 VanDerWaalsContact OD2-CZ 3.28Å; D132-Y137 PolarHBondContact OD2-OH 2.74Å; D132-I373 HydrophobicContact CB-CG2 4.16Å; D132-I373 VanDerWaalsContact OD2-CD1 3.26Å; D132-I373 WeakPolarHBondContact OD2-CD1 3.42Å; D132-I373 WeakPolarHBondContact OD2-CG1 3.34Å
133	N	94.3	Very high	96.3	Very high	45 Å²	45	19.4 Å²	19.4	24%	0.241	10%	0.1	C	C	.	.	S	Bend	trans	-63.6	-25.2	-179.9	-71.4	-17.5	0	0	0	114.2	I373 A374 A375 P377 Q378	N133-I373 HydrophobicContact CB-CG2 4.12Å; N133-A374 HydrophobicContact CB-CB 4.3Å; N133-A374 WeakPolarHBondContact CB-O 3.47Å; N133-A374 PolarHBondContact ND2-O 2.84Å; N133-A375 PolarHBondContact ND2-O 3.2Å; N133-P377 WeakPolarHBondContact OD1-CA 3.45Å; N133-P377 WeakPolarHBondContact OD1-CG 3.21Å; N133-Q378 VanDerWaalsContact O-CB 3.22Å; N133-Q378 WeakPolarHBondContact O-CB 3.42Å; N133-Q378 WeakPolarHBondContact O-CG 3.43Å; N133-Q378 PolarHBondContact O-N 3.19Å
134	S	94.5	Very high	95.8	Very high	13 Å²	13	19.9 Å²	19.9	9%	0.091	10%	0.104	C	C	.	.	S	Bend	trans	-117.9	-31.2	-171.4	-72.9	0	0	0	0	114.2	K96 D132 A374	K96-S134 VanDerWaalsContact CB-O 3.31Å; K96-S134 WeakPolarHBondContact CB-O 3.49Å; K96-S134 VanDerWaalsContact CG-O 3.31Å; K96-S134 WeakPolarHBondContact CG-O 3.34Å; K96-S134 PolarHBondContact N-O 3.19Å; D132-S134 PolarHBondContact O-N 3.39Å; D132-S134 WeakPolarHBondContact OD1-CA 3.49Å; D132-S134 PolarHBondContact OD1-N 3.24Å; S134-A374 VanDerWaalsContact OG-CB 3.23Å; S134-A374 WeakPolarHBondContact OG-CB 3.44Å; S134-A374 PolarHBondContact OG-N 2.9Å
135	N	96	Very high	95.3	Very high	13 Å²	13	19.7 Å²	19.7	7%	0.07	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	157.1	-165.4	-57.9	-69.1	0	0	0	112.6	I93 L94 K131 D132 Y137 F371	I93-N135 HydrophobicContact CG2-CB 3.98Å; L94-N135 CarbonylContact O-C 3.46Å; L94-N135 WeakPolarHBondContact O-CA 3.38Å; K131-N135 WeakPolarHBondContact CA-O 3.31Å; K131-N135 WeakPolarHBondContact CB-O 3.38Å; D132-N135 PolarHBondContact N-O 3.27Å; D132-N135 PolarHBondContact OD1-N 3.14Å; N135-Y137 HydrophobicContact CB-CE1 4.25Å; N135-Y137 HydrophobicContact CB-CE2 3.75Å; N135-F371 VanDerWaalsContact ND2-CE2 3.31Å; N135-F371 WeakPolarHBondContact ND2-CE2 3.19Å
136	L	96.1	Very high	95	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	138.6	170	-47.7	171.8	0	0	0	108.3	L94 K96 T108 K131 F383 F386	L94-L136 HydrophobicContact CB-CB 4.28Å; L94-L136 PolarHBondContact N-O 2.87Å; L94-L136 PolarHBondContact O-N 3.2Å; K96-L136 HydrophobicContact CD-CD2 4.36Å; K96-L136 HydrophobicContact CG-CD2 3.92Å; K96-L136 HydrophobicContact CG-CG 3.99Å; T108-L136 HydrophobicContact CG2-CD1 3.83Å; K131-L136 HydrophobicContact CB-CD2 3.83Å; L136-F383 HydrophobicContact CD1-CD1 3.56Å; L136-F383 HydrophobicContact CD1-CE1 3.44Å; L136-F383 VanDerWaalsContact CD1-CE1 3.44Å; L136-F383 HydrophobicContact CD1-CG 4.24Å; L136-F383 HydrophobicContact CD1-CZ 4.04Å; L136-F383 HydrophobicContact CD2-CB 3.98Å; L136-F383 HydrophobicContact CD2-CD1 3.94Å; L136-F383 HydrophobicContact CD2-CD2 4.42Å; L136-F383 HydrophobicContact CD2-CG 3.86Å; L136-F383 HydrophobicContact CG-CD1 4.36Å; L136-F386 HydrophobicContact CB-CD1 4.13Å; L136-F386 HydrophobicContact CB-CD2 4.17Å; L136-F386 HydrophobicContact CB-CE1 3.8Å; L136-F386 HydrophobicContact CB-CE2 3.81Å; L136-F386 HydrophobicContact CB-CG 4.35Å; L136-F386 HydrophobicContact CB-CZ 3.63Å; L136-F386 HydrophobicContact CD1-CD2 3.9Å; L136-F386 HydrophobicContact CD1-CE2 4.02Å; L136-F386 HydrophobicContact CD1-CG 4.46Å; L136-F386 HydrophobicContact CD2-CB 4.16Å; L136-F386 HydrophobicContact CD2-CD1 3.95Å; L136-F386 HydrophobicContact CD2-CD2 4.06Å; L136-F386 HydrophobicContact CD2-CE1 4.49Å; L136-F386 HydrophobicContact CD2-CG 3.76Å; L136-F386 HydrophobicContact CG-CD2 4.26Å; L136-F386 HydrophobicContact CG-CE2 4.35Å; L136-F386 HydrophobicContact CG-CG 4.4Å
137	Y	97.1	Very high	94.8	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	124.8	-174.3	-58.1	-87.3	0	0	0	110.7	L60 M91 K92 I93 S129 F130 D132 N135 F371 F386	L60-Y137 HydrophobicContact CD1-CD1 4.09Å; L60-Y137 HydrophobicContact CD1-CE1 3.59Å; L60-Y137 HydrophobicContact CD2-CE1 4.47Å; M91-Y137 HydrophobicContact CG-CD1 4.09Å; M91-Y137 HydrophobicContact SD-CD1 3.68Å; M91-Y137 HydrophobicContact SD-CE1 4.19Å; K92-Y137 WeakPolarHBondContact O-CA 3.4Å; I93-Y137 HydrophobicContact CB-CD1 4.39Å; I93-Y137 HydrophobicContact CB-CE1 4.32Å; I93-Y137 HydrophobicContact CD1-CE1 4.27Å; I93-Y137 HydrophobicContact CG1-CD1 3.91Å; I93-Y137 HydrophobicContact CG1-CE1 3.95Å; I93-Y137 HydrophobicContact CG2-CD1 4.12Å; I93-Y137 HydrophobicContact CG2-CE1 3.63Å; S129-Y137 VanDerWaalsContact CA-O 3.26Å; S129-Y137 WeakPolarHBondContact CA-O 3.32Å; F130-Y137 AromaticContact CD2-CD2 3.42Å; F130-Y137 HydrophobicContact CD2-CD2 3.42Å; F130-Y137 VanDerWaalsContact CD2-CD2 3.42Å; F130-Y137 HydrophobicContact CD2-CE2 4.17Å; F130-Y137 AromaticContact CD2-CG 3.83Å; F130-Y137 HydrophobicContact CD2-CG 3.83Å; F130-Y137 HydrophobicContact CE1-CG 4.36Å; F130-Y137 HydrophobicContact CE2-CD1 4.01Å; F130-Y137 AromaticContact CE2-CD2 3.23Å; F130-Y137 HydrophobicContact CE2-CD2 3.23Å; F130-Y137 AromaticContact CE2-CE2 3.82Å; F130-Y137 HydrophobicContact CE2-CE2 3.82Å; F130-Y137 AromaticContact CE2-CG 3.33Å; F130-Y137 HydrophobicContact CE2-CG 3.33Å; F130-Y137 HydrophobicContact CG-CD2 4.33Å; F130-Y137 HydrophobicContact CZ-CD1 4.1Å; F130-Y137 HydrophobicContact CZ-CD2 4.04Å; F130-Y137 AromaticContact CZ-CG 3.65Å; F130-Y137 HydrophobicContact CZ-CG 3.65Å; F130-Y137 PolarHBondContact N-O 2.81Å; F130-Y137 VanDerWaalsContact N-O 3.09Å; F130-Y137 WeakPolarHBondContact O-CA 3.24Å; F130-Y137 WeakPolarHBondContact O-CB 3.26Å; F130-Y137 WeakPolarHBondContact O-CD2 3.29Å; F130-Y137 PolarHBondContact O-N 3.47Å; D132-Y137 HydrophobicContact CB-CE2 4.17Å; D132-Y137 VanDerWaalsContact OD2-CE2 3.28Å; D132-Y137 WeakPolarHBondContact OD2-CE2 3.49Å; D132-Y137 VanDerWaalsContact OD2-CZ 3.28Å; D132-Y137 PolarHBondContact OD2-OH 2.74Å; N135-Y137 HydrophobicContact CB-CE1 4.25Å; N135-Y137 HydrophobicContact CB-CE2 3.75Å; Y137-F371 AromaticContact CE1-CZ 3.95Å; Y137-F371 HydrophobicContact CE1-CZ 3.95Å; Y137-F371 WeakPolarHBondContact OH-CE2 3.38Å; Y137-F371 VanDerWaalsContact OH-CZ 3.3Å; Y137-F371 WeakPolarHBondContact OH-CZ 3.31Å; Y137-F386 WeakPolarHBondContact O-CE1 3.44Å
138	M	97.2	Very high	94.7	Very high	1 Å²	1	16.9 Å²	16.9	1%	0.005	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	116.9	167.1	-66.5	-176.4	-81.5	0	0	107.7	M91 K92 L94 K112 L115 M126 L140 F386	M91-M138 CarbonylContact C-O 3.57Å; M91-M138 WeakPolarHBondContact CA-O 3.41Å; K92-M138 HydrophobicContact CB-CB 4.35Å; K92-M138 HydrophobicContact CD-CE 3.89Å; K92-M138 HydrophobicContact CG-CE 4.3Å; K92-M138 PolarHBondContact N-O 3.27Å; K92-M138 PolarHBondContact O-N 2.93Å; L94-M138 HydrophobicContact CD1-CE 3.66Å; K112-M138 HydrophobicContact CB-SD 4.11Å; L115-M138 HydrophobicContact CD1-SD 3.89Å; M126-M138 HydrophobicContact SD-CB 3.58Å; M126-M138 VanDerWaalsContact SD-CB 3.58Å; M126-M138 HydrophobicContact SD-CG 3.58Å; M126-M138 VanDerWaalsContact SD-CG 3.58Å; M126-M138 HydrophobicContact SD-SD 4.02Å; M138-L140 HydrophobicContact CB-CD1 4.04Å; M138-L140 WeakPolarHBondContact O-CD1 3.42Å; M138-F386 HydrophobicContact CG-CZ 3.82Å
139	V	97.8	Very high	94.6	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	106.5	-179.2	-173.5	0	0	0	0	108.4	F63 Y89 M91 T127 F128 F130	F63-V139 HydrophobicContact CE1-CG1 3.91Å; F63-V139 HydrophobicContact CE1-CG2 4.38Å; F63-V139 HydrophobicContact CE2-CG2 4.38Å; F63-V139 HydrophobicContact CZ-CG1 4.23Å; F63-V139 HydrophobicContact CZ-CG2 4.02Å; Y89-V139 HydrophobicContact CD1-CG1 4.01Å; Y89-V139 HydrophobicContact CD2-CG1 4.28Å; Y89-V139 HydrophobicContact CG-CG1 3.65Å; M91-V139 HydrophobicContact CB-CG2 4.48Å; M91-V139 HydrophobicContact CE-CG2 3.82Å; M91-V139 HydrophobicContact CG-CG2 4.16Å; T127-V139 PolarHBondContact N-O 3.14Å; F128-V139 HydrophobicContact CB-CB 3.88Å; F128-V139 HydrophobicContact CB-CG2 4.04Å; F128-V139 HydrophobicContact CD2-CB 4.02Å; F128-V139 HydrophobicContact CD2-CG1 3.87Å; F128-V139 HydrophobicContact CG-CB 4.47Å; F128-V139 PolarHBondContact N-O 3.41Å; F128-V139 PolarHBondContact O-N 3.14Å; F130-V139 HydrophobicContact CE1-CG2 3.79Å
140	L	97.6	Very high	94.3	Very high	14 Å²	14	20.1 Å²	20.1	7%	0.073	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	157.1	-175.3	-55.1	101.7	0	0	0	111.2	Y89 A90 K92 L115 V124 N125 M126 M138 F142	Y89-L140 WeakPolarHBondContact CA-O 3.49Å; Y89-L140 WeakPolarHBondContact CB-O 3.22Å; Y89-L140 WeakPolarHBondContact CD1-O 3.21Å; A90-L140 PolarHBondContact N-O 3.42Å; A90-L140 PolarHBondContact O-N 3.44Å; K92-L140 HydrophobicContact CB-CD1 3.99Å; L115-L140 HydrophobicContact CD1-CD2 4.13Å; L115-L140 HydrophobicContact CD2-CD2 4.29Å; V124-L140 HydrophobicContact CG1-CD2 3.75Å; V124-L140 HydrophobicContact CG2-CB 3.96Å; V124-L140 HydrophobicContact CG2-CD2 4.09Å; N125-L140 CarbonylContact O-C 3.52Å; N125-L140 WeakPolarHBondContact O-CA 3.46Å; M126-L140 HydrophobicContact CB-CG 4.48Å; M138-L140 HydrophobicContact CB-CD1 4.04Å; M138-L140 WeakPolarHBondContact O-CD1 3.42Å; L140-F142 PolarHBondContact O-N 2.99Å
141	E	95.6	Very high	94	Very high	62 Å²	62	20.1 Å²	20.1	29%	0.29	10%	0.103	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-49.1	128.6	167.5	-172	-173.3	175.1	0	0	110.8	V124 N125 I143 K201	V124-E141 HydrophobicContact CG2-CB 4.15Å; N125-E141 PolarHBondContact O-N 3.36Å; E141-I143 HydrophobicContact CB-CD1 4.36Å; E141-I143 HydrophobicContact CG-CD1 3.7Å; E141-K201 IonicContact OE1-NZ 2.64Å; E141-K201 PolarHBondContact OE1-NZ 2.89Å; E141-K201 WeakPolarHBondContact OE2-CE 3.2Å; E141-K201 IonicContact OE2-NZ 3.51Å; E141-K201 PolarHBondContact OE2-NZ 3.07Å
142	F	95.8	Very high	93.9	Very high	23 Å²	23	18.8 Å²	18.8	10%	0.101	10%	0.098	C	C	.	.			trans	-82.5	119.1	176.1	177	-121.1	0	0	0	110.8	L69 L79 A90 L140 P355 D357 T358 F361	L69-F142 HydrophobicContact CD1-CD2 3.89Å; L69-F142 HydrophobicContact CD1-CE2 3.64Å; L69-F142 HydrophobicContact CD2-CE2 4.06Å; L79-F142 HydrophobicContact CD1-CD1 3.81Å; L79-F142 HydrophobicContact CD1-CD2 3.93Å; L79-F142 HydrophobicContact CD1-CE1 3.89Å; L79-F142 HydrophobicContact CD1-CE2 4.01Å; L79-F142 HydrophobicContact CD1-CG 3.83Å; L79-F142 HydrophobicContact CD1-CZ 3.99Å; A90-F142 HydrophobicContact CB-CD2 4.37Å; L140-F142 PolarHBondContact O-N 2.99Å; F142-P355 WeakPolarHBondContact CD1-O 3.2Å; F142-P355 WeakPolarHBondContact CE1-O 3.49Å; F142-D357 VanDerWaalsContact CZ-O 3.29Å; F142-D357 WeakPolarHBondContact CZ-O 3.14Å; F142-T358 HydrophobicContact CZ-CG2 4.08Å; F142-F361 HydrophobicContact CD2-CZ 4.31Å; F142-F361 HydrophobicContact CE2-CE1 4.46Å; F142-F361 AromaticContact CE2-CE2 3.53Å; F142-F361 HydrophobicContact CE2-CE2 3.53Å; F142-F361 AromaticContact CE2-CZ 3.44Å; F142-F361 HydrophobicContact CE2-CZ 3.44Å; F142-F361 VanDerWaalsContact CE2-CZ 3.44Å; F142-F361 AromaticContact CZ-CE2 3.72Å; F142-F361 HydrophobicContact CZ-CE2 3.72Å; F142-F361 HydrophobicContact CZ-CZ 4.11Å
143	I	94.5	Very high	93.8	Very high	6 Å²	6	23.1 Å²	23.1	3%	0.031	11%	0.112	C	C	.	.			trans	-105.4	102.4	178.3	-48.3	-54.5	0	0	0	109.2	E141 G145 L193 I194 D195 K201	E141-I143 HydrophobicContact CB-CD1 4.36Å; E141-I143 HydrophobicContact CG-CD1 3.7Å; I143-G145 PolarHBondContact O-N 3.12Å; I143-L193 HydrophobicContact CB-CB 3.88Å; I143-L193 HydrophobicContact CB-CD1 3.83Å; I143-L193 HydrophobicContact CB-CG 4.5Å; I143-L193 HydrophobicContact CG1-CB 4.32Å; I143-L193 HydrophobicContact CG1-CD1 4.01Å; I143-L193 HydrophobicContact CG2-CB 3.6Å; I143-L193 HydrophobicContact CG2-CD1 4.5Å; I143-I194 WeakPolarHBondContact CG2-O 3.47Å; I143-D195 HydrophobicContact CG2-CB 4.08Å; I143-K201 HydrophobicContact CD1-CB 4.2Å; I143-K201 HydrophobicContact CD1-CD 4.18Å; I143-K201 HydrophobicContact CD1-CG 3.69Å; I143-K201 HydrophobicContact CG1-CB 3.96Å; I143-K201 HydrophobicContact CG1-CG 4.03Å
144	S	88.1	Confident	93.6	Very high	12 Å²	12	25.1 Å²	25.1	8%	0.084	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-18.3	-168.9	55.6	0	0	0	0	115.3	G146 V352 H360	S144-G146 PolarHBondContact O-N 3.38Å; S144-V352 WeakPolarHBondContact OG-CG2 3.49Å; S144-H360 PolarHBondContact O-CD2 2.92Å
145	G	87.6	Confident	93.4	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-9.4	-175.9	0	0	0	0	0	114.5	I143 H151 I194 P350 H360	I143-G145 PolarHBondContact O-N 3.12Å; G145-H151 PolarHBondContact O-CE1 3.29Å; G145-H151 PolarHBondContact O-NE2 3.11Å; G145-I194 CarbonylContact C-O 3.45Å; G145-I194 WeakPolarHBondContact CA-O 3.37Å; G145-I194 PolarHBondContact N-O 3.49Å; G145-P350 VanDerWaalsContact CA-CB 3.43Å; G145-H360 VanDerWaalsContact O-CB 3.29Å; G145-H360 WeakPolarHBondContact O-CB 3.45Å
146	G	89.6	Confident	93.2	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.01	14%	0.137	C	C	.	.			trans	81.1	-170.4	174.5	0	0	0	0	0	114.1	S144 L193 I194	S144-G146 PolarHBondContact O-N 3.38Å; G146-L193 CarbonylContact O-C 3.54Å; G146-L193 VanDerWaalsContact O-CA 3.3Å; G146-L193 WeakPolarHBondContact O-CA 3.42Å; G146-I194 PolarHBondContact O-N 3.35Å
147	E	92.9	Very high	93.1	Very high	63 Å²	63	32.9 Å²	32.9	29%	0.294	16%	0.157	S	C	.	.	B	Isolated β-bridge	trans	-82.4	139.6	-170.9	-61.6	170.4	-168.5	0	0	112.7	F149 S150 H151 L193	E147-F149 HydrophobicContact CB-CB 4.36Å; E147-F149 PolarHBondContact O-N 2.8Å; E147-S150 PolarHBondContact O-N 3.3Å; E147-H151 PolarHBondContact O-CD2 3.08Å; E147-H151 PolarHBondContact O-N 3.27Å; E147-L193 HydrophobicContact CB-CD2 4.44Å; E147-L193 HydrophobicContact CG-CD2 3.74Å
148	M	94.7	Very high	92.9	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-56	-33.6	171.5	178.9	-179.2	-67.6	0	0	111.4	S150 H151 L152 F158 Y166 P189 L192 L200 L247 M251	M148-S150 PolarHBondContact O-N 2.82Å; M148-H151 PolarHBondContact O-N 2.97Å; M148-L152 VanDerWaalsContact O-CB 3.31Å; M148-L152 WeakPolarHBondContact O-CB 3.21Å; M148-L152 PolarHBondContact O-N 3.28Å; M148-F158 HydrophobicContact CG-CE2 3.89Å; M148-F158 HydrophobicContact CG-CZ 4.18Å; M148-F158 HydrophobicContact SD-CE2 4.18Å; M148-Y166 HydrophobicContact CE-CD1 3.92Å; M148-Y166 HydrophobicContact CE-CD2 3.93Å; M148-Y166 HydrophobicContact CE-CE1 4.45Å; M148-Y166 HydrophobicContact CE-CE2 4.46Å; M148-Y166 HydrophobicContact CE-CG 3.64Å; M148-P189 HydrophobicContact CB-CB 4.39Å; M148-P189 WeakPolarHBondContact CB-O 3.4Å; M148-P189 HydrophobicContact CG-CB 4.35Å; M148-P189 PolarHBondContact N-O 3.07Å; M148-L192 HydrophobicContact CB-CB 3.95Å; M148-L192 WeakPolarHBondContact CB-O 3.35Å; M148-L192 HydrophobicContact CE-CB 4.26Å; M148-L192 HydrophobicContact CE-CD1 4.03Å; M148-L192 PolarHBondContact N-O 2.79Å; M148-L192 HydrophobicContact SD-CB 4.46Å; M148-L192 HydrophobicContact SD-CD1 3.83Å; M148-L200 HydrophobicContact CE-CD1 3.5Å; M148-L200 VanDerWaalsContact CE-CD1 3.5Å; M148-L247 HydrophobicContact SD-CD1 4.46Å; M148-M251 HydrophobicContact CE-SD 4.2Å; M148-M251 HydrophobicContact SD-CG 4.13Å; M148-M251 HydrophobicContact SD-SD 3.78Å
149	F	94.2	Very high	92.7	Very high	64 Å²	64	35.1 Å²	35.1	28%	0.281	17%	0.173	S	C	.	.	H	α-helix	trans	-51.9	-55	175.2	-177.3	-96.7	0	0	0	112.1	E147 H151 L152 R153 P189 E190	E147-F149 HydrophobicContact CB-CB 4.36Å; E147-F149 PolarHBondContact O-N 2.8Å; F149-H151 VanDerWaalsContact C-N 3.32Å; F149-H151 PolarHBondContact O-N 3.18Å; F149-L152 PolarHBondContact O-N 3.27Å; F149-R153 HydrophobicContact CD1-CG 4.22Å; F149-R153 HydrophobicContact CE1-CG 3.89Å; F149-R153 HydrophobicContact CE2-CG 4.21Å; F149-R153 HydrophobicContact CZ-CG 3.88Å; F149-R153 WeakPolarHBondContact O-CB 3.38Å; F149-R153 VanDerWaalsContact O-CG 3.29Å; F149-R153 WeakPolarHBondContact O-CG 3.43Å; F149-R153 PolarHBondContact O-N 2.88Å; F149-P189 HydrophobicContact CB-CB 3.82Å; F149-P189 HydrophobicContact CD2-CB 4.23Å; F149-P189 PolarHBondContact N-O 2.97Å; F149-P189 VanDerWaalsContact N-O 3.14Å; F149-E190 HydrophobicContact CB-CG 3.96Å; F149-E190 HydrophobicContact CD2-CG 4Å; F149-E190 WeakPolarHBondContact CD2-OE1 3.1Å; F149-E190 WeakPolarHBondContact CE2-OE1 3.42Å; F149-E190 HydrophobicContact CG-CG 3.96Å
150	S	90.9	Very high	92.6	Very high	43 Å²	43	36.7 Å²	36.7	30%	0.301	18%	0.18	S	C	.	.	H	α-helix	trans	-59.5	-42.8	179.4	-65.8	0	0	0	0	111.8	E147 M148 R154	E147-S150 PolarHBondContact O-N 3.3Å; M148-S150 PolarHBondContact O-N 2.82Å; S150-R154 WeakPolarHBondContact O-CB 3.14Å; S150-R154 PolarHBondContact O-N 3.05Å; S150-R154 VanDerWaalsContact O-N 3.09Å
151	H	91	Very high	92.4	Very high	3 Å²	3	38.9 Å²	38.9	1%	0.014	20%	0.195	C	C	.	.	H	α-helix	trans	-63.9	-46.5	176.4	-67.7	-59.6	0	0	0	112.7	G145 E147 M148 F149 R154 I155 F158 A347	G145-H151 PolarHBondContact O-CE1 3.29Å; G145-H151 PolarHBondContact O-NE2 3.11Å; E147-H151 PolarHBondContact O-CD2 3.08Å; E147-H151 PolarHBondContact O-N 3.27Å; M148-H151 PolarHBondContact O-N 2.97Å; F149-H151 VanDerWaalsContact C-N 3.32Å; F149-H151 PolarHBondContact O-N 3.18Å; H151-R154 PolarHBondContact ND1-NH2 2.92Å; H151-R154 PolarHBondContact O-N 2.66Å; H151-I155 WeakPolarHBondContact O-CB 3.09Å; H151-I155 WeakPolarHBondContact O-CD1 3.22Å; H151-I155 WeakPolarHBondContact O-CG1 3.23Å; H151-I155 PolarHBondContact O-N 2.89Å; H151-F158 HydrophobicContact CB-CZ 4.19Å; H151-A347 HydrophobicContact CB-CB 3.89Å
152	L	92.8	Very high	92.3	Very high	2 Å²	2	36.3 Å²	36.3	1%	0.01	18%	0.183	C	C	.	.	H	α-helix	trans	-63.1	-46.5	-179.4	-178.5	61.3	0	0	0	111	M148 F149 R154 I155 G156 F158 E250	M148-L152 VanDerWaalsContact O-CB 3.31Å; M148-L152 WeakPolarHBondContact O-CB 3.21Å; M148-L152 PolarHBondContact O-N 3.28Å; F149-L152 PolarHBondContact O-N 3.27Å; L152-R154 VanDerWaalsContact C-N 3.35Å; L152-R154 PolarHBondContact O-N 3.29Å; L152-I155 PolarHBondContact O-N 3.15Å; L152-G156 CarbonylContact O-C 3.57Å; L152-G156 WeakPolarHBondContact O-CA 3.41Å; L152-G156 PolarHBondContact O-N 2.93Å; L152-F158 HydrophobicContact CB-CE1 4.26Å; L152-F158 HydrophobicContact CB-CZ 4.06Å; L152-F158 HydrophobicContact CD1-CD1 3.98Å; L152-F158 HydrophobicContact CD1-CD2 4.37Å; L152-F158 HydrophobicContact CD1-CE1 4.04Å; L152-F158 HydrophobicContact CD1-CE2 4.45Å; L152-F158 HydrophobicContact CD1-CG 4.14Å; L152-F158 HydrophobicContact CD1-CZ 4.29Å; L152-E250 HydrophobicContact CD2-CG 3.71Å
153	R	92.4	Very high	92.3	Very high	120 Å²	120	35.2 Å²	35.2	45%	0.453	18%	0.178	S	C	.	.	H	α-helix	trans	-60.7	-43.1	178.2	-69	-71.9	151.1	-154.2	-9.3	111.9	F149 G156 E250 G254	F149-R153 HydrophobicContact CD1-CG 4.22Å; F149-R153 HydrophobicContact CE1-CG 3.89Å; F149-R153 HydrophobicContact CE2-CG 4.21Å; F149-R153 HydrophobicContact CZ-CG 3.88Å; F149-R153 WeakPolarHBondContact O-CB 3.38Å; F149-R153 VanDerWaalsContact O-CG 3.29Å; F149-R153 WeakPolarHBondContact O-CG 3.43Å; F149-R153 PolarHBondContact O-N 2.88Å; R153-G156 PolarHBondContact O-N 3.45Å; R153-E250 IonicContact NH2-OE1 3.05Å; R153-E250 PolarHBondContact NH2-OE1 3.49Å; R153-G254 PolarHBondContact NH1-O 2.89Å
154	R	89.1	Confident	92.4	Very high	87 Å²	87	36.7 Å²	36.7	33%	0.328	18%	0.183	S	C	.	.	H	α-helix	trans	-65.4	-38.3	178.5	-177.3	177.1	64.4	176.3	-9.7	113.3	S150 H151 L152 E346	S150-R154 WeakPolarHBondContact O-CB 3.14Å; S150-R154 PolarHBondContact O-N 3.05Å; S150-R154 VanDerWaalsContact O-N 3.09Å; H151-R154 PolarHBondContact ND1-NH2 2.92Å; H151-R154 PolarHBondContact O-N 2.66Å; L152-R154 VanDerWaalsContact C-N 3.35Å; L152-R154 PolarHBondContact O-N 3.29Å; R154-E346 IonicContact CZ-OE1 2.84Å; R154-E346 IonicContact CZ-OE2 2.62Å; R154-E346 VanDerWaalsContact CZ-OE2 3.31Å; R154-E346 IonicContact NH1-OE1 3.78Å; R154-E346 PolarHBondContact NH1-OE1 3.23Å; R154-E346 IonicContact NH1-OE2 3.05Å; R154-E346 PolarHBondContact NH1-OE2 2.62Å; R154-E346 IonicContact NH2-OE1 3.01Å; R154-E346 PolarHBondContact NH2-OE1 3.2Å; R154-E346 IonicContact NH2-OE2 3.43Å; R154-E346 PolarHBondContact NH2-OE2 2.58Å
155	I	90.3	Very high	92.8	Very high	36 Å²	36	36.5 Å²	36.5	19%	0.185	18%	0.181	C	C	.	.	H	α-helix	trans	-83.3	-26	-179.1	-71.3	159	0	0	0	111.7	H151 L152 R157 F158 R343 L344 A347	H151-I155 WeakPolarHBondContact O-CB 3.09Å; H151-I155 WeakPolarHBondContact O-CD1 3.22Å; H151-I155 WeakPolarHBondContact O-CG1 3.23Å; H151-I155 PolarHBondContact O-N 2.89Å; L152-I155 PolarHBondContact O-N 3.15Å; I155-R157 VanDerWaalsContact C-N 3.31Å; I155-R157 WeakPolarHBondContact CG2-O 3.42Å; I155-R157 PolarHBondContact O-N 2.9Å; I155-F158 HydrophobicContact CB-CE1 4.48Å; I155-F158 HydrophobicContact CD1-CD1 4.19Å; I155-F158 HydrophobicContact CD1-CE1 3.7Å; I155-F158 HydrophobicContact CG2-CD1 4.36Å; I155-R343 WeakPolarHBondContact CD1-O 3.04Å; I155-R343 HydrophobicContact CG1-CB 4.23Å; I155-R343 WeakPolarHBondContact CG1-O 3.2Å; I155-L344 HydrophobicContact CD1-CD1 3.95Å; I155-L344 HydrophobicContact CG2-CD1 3.9Å; I155-A347 HydrophobicContact CD1-CB 3.13Å
156	G	92.4	Very high	93.2	Very high	40 Å²	40	36.6 Å²	36.6	41%	0.412	18%	0.181	S	C	.	.	S	Bend	trans	91.3	-56.6	-171.2	0	0	0	0	0	111.1	L152 R153 G254	L152-G156 CarbonylContact O-C 3.57Å; L152-G156 WeakPolarHBondContact O-CA 3.41Å; L152-G156 PolarHBondContact O-N 2.93Å; R153-G156 PolarHBondContact O-N 3.45Å; G156-G254 WeakPolarHBondContact O-CA 3.46Å
157	R	93.5	Very high	93.7	Very high	114 Å²	114	36.5 Å²	36.5	43%	0.43	18%	0.181	S	C	.	.			trans	-158	148.3	175.8	69	-164.9	-178.5	96.2	0.4	112.6	I155 M251 A252 H280	I155-R157 VanDerWaalsContact C-N 3.31Å; I155-R157 WeakPolarHBondContact CG2-O 3.42Å; I155-R157 PolarHBondContact O-N 2.9Å; R157-M251 CarbonylContact C-O 3.57Å; R157-A252 WeakPolarHBondContact CD-O 3.46Å; R157-A252 PolarHBondContact NH1-O 3.31Å; R157-H280 PolarHBondContact NH1-CD2 3.19Å; R157-H280 PolarHBondContact NH1-NE2 3Å
158	F	93.5	Very high	93.9	Very high	2 Å²	2	33.5 Å²	33.5	1%	0.009	17%	0.167	C	C	.	.			trans	-80.8	151.9	172.7	-62.1	-15.6	0	0	0	111.4	M148 H151 L152 I155 H162 Y166 M251 L344 A347	M148-F158 HydrophobicContact CG-CE2 3.89Å; M148-F158 HydrophobicContact CG-CZ 4.18Å; M148-F158 HydrophobicContact SD-CE2 4.18Å; H151-F158 HydrophobicContact CB-CZ 4.19Å; L152-F158 HydrophobicContact CB-CE1 4.26Å; L152-F158 HydrophobicContact CB-CZ 4.06Å; L152-F158 HydrophobicContact CD1-CD1 3.98Å; L152-F158 HydrophobicContact CD1-CD2 4.37Å; L152-F158 HydrophobicContact CD1-CE1 4.04Å; L152-F158 HydrophobicContact CD1-CE2 4.45Å; L152-F158 HydrophobicContact CD1-CG 4.14Å; L152-F158 HydrophobicContact CD1-CZ 4.29Å; I155-F158 HydrophobicContact CB-CE1 4.48Å; I155-F158 HydrophobicContact CD1-CD1 4.19Å; I155-F158 HydrophobicContact CD1-CE1 3.7Å; I155-F158 HydrophobicContact CG2-CD1 4.36Å; F158-H162 HydrophobicContact CB-CB 4.04Å; F158-Y166 HydrophobicContact CD2-CD2 4.18Å; F158-Y166 HydrophobicContact CD2-CE2 4.22Å; F158-Y166 HydrophobicContact CE2-CD2 4.13Å; F158-Y166 AromaticContact CE2-CE2 3.98Å; F158-Y166 HydrophobicContact CE2-CE2 3.98Å; F158-M251 HydrophobicContact CB-CB 4.43Å; F158-M251 HydrophobicContact CD2-CB 4.04Å; F158-M251 HydrophobicContact CD2-CG 3.94Å; F158-M251 HydrophobicContact CD2-SD 4.03Å; F158-M251 HydrophobicContact CE2-CG 4.34Å; F158-M251 HydrophobicContact CE2-SD 4.37Å; F158-M251 PolarHBondContact N-O 2.66Å; F158-L344 HydrophobicContact CD1-CD1 4.43Å; F158-A347 HydrophobicContact CE1-CB 4.21Å
159	S	93.2	Very high	94.1	Very high	46 Å²	46	33.5 Å²	33.5	32%	0.322	17%	0.167	S	C	.	.			trans	-71.4	159.7	168.9	68.3	0	0	0	0	110.5	H162 S163	S159-H162 WeakPolarHBondContact O-CB 3.47Å; S159-H162 PolarHBondContact O-N 3.32Å; S159-H162 VanDerWaalsContact O-N 3.08Å; S159-H162 PolarHBondContact OG-ND1 3.16Å; S159-S163 PolarHBondContact O-N 3.41Å; S159-S163 PolarHBondContact O-OG 3.31Å
160	E	94.9	Very high	94.3	Very high	33 Å²	33	30.5 Å²	30.5	15%	0.154	15%	0.153	C	C	.	.	H	α-helix	trans	-58.9	-39.2	178.5	-64.6	-166.3	-156.1	0	0	113.8	H162 S163 R164 S282 L285 W316	E160-H162 VanDerWaalsContact C-N 3.3Å; E160-H162 PolarHBondContact O-N 2.85Å; E160-S163 PolarHBondContact O-N 3.49Å; E160-R164 WeakPolarHBondContact O-CB 3.44Å; E160-R164 PolarHBondContact O-N 3.43Å; E160-S282 VanDerWaalsContact CD-OG 3.3Å; E160-S282 WeakPolarHBondContact OE1-CB 3.24Å; E160-S282 PolarHBondContact OE1-N 3.02Å; E160-S282 PolarHBondContact OE1-OG 2.75Å; E160-S282 WeakPolarHBondContact OE2-CB 3.47Å; E160-S282 PolarHBondContact OE2-OG 3.21Å; E160-L285 HydrophobicContact CG-CD2 3.89Å; E160-L285 WeakPolarHBondContact OE1-CD2 3.33Å; E160-W316 HydrophobicContact CB-CZ2 4.36Å; E160-W316 PolarHBondContact OE2-NE1 3.43Å
161	P	93.9	Very high	94.7	Very high	60 Å²	60	28.4 Å²	28.4	39%	0.39	14%	0.139	S	C	.	.	H	α-helix	trans	-57.5	-38.9	171.8	-27	36.2	0	0	0	114.4	F165 P333	P161-F165 PolarHBondContact O-N 3.03Å; P161-P333 HydrophobicContact CB-CB 4.36Å; P161-P333 HydrophobicContact CB-CG 4.46Å
162	H	92.3	Very high	95	Very high	7 Å²	7	28.8 Å²	28.8	3%	0.032	14%	0.141	C	C	.	.	H	α-helix	trans	-71.2	-46.4	177.5	-69.4	57.5	0	0	0	110.7	F158 S159 E160 R164 F165 Y166 P333 L344 L348	F158-H162 HydrophobicContact CB-CB 4.04Å; S159-H162 WeakPolarHBondContact O-CB 3.47Å; S159-H162 PolarHBondContact O-N 3.32Å; S159-H162 VanDerWaalsContact O-N 3.08Å; S159-H162 PolarHBondContact OG-ND1 3.16Å; E160-H162 VanDerWaalsContact C-N 3.3Å; E160-H162 PolarHBondContact O-N 2.85Å; H162-R164 PolarHBondContact O-N 3.46Å; H162-F165 WeakPolarHBondContact O-CB 3.45Å; H162-F165 PolarHBondContact O-N 3.44Å; H162-F165 VanDerWaalsContact O-N 3.11Å; H162-Y166 VanDerWaalsContact O-CD2 3.29Å; H162-Y166 WeakPolarHBondContact O-CD2 3.48Å; H162-Y166 PolarHBondContact O-N 2.86Å; H162-Y166 VanDerWaalsContact O-N 3.12Å; H162-P333 PolarHBondContact CE1-O 3.22Å; H162-P333 PolarHBondContact NE2-O 2.82Å; H162-L344 VanDerWaalsContact CE1-CD2 3.41Å; H162-L344 WeakPolarHBondContact CE1-CD2 3.34Å; H162-L344 WeakPolarHBondContact NE2-CD2 3.33Å; H162-L344 WeakPolarHBondContact NE2-CG 3.32Å; H162-L348 WeakPolarHBondContact CD2-CD2 3.23Å; H162-L348 WeakPolarHBondContact NE2-CD1 3.49Å
163	S	96	Very high	95.3	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-56.9	-40.7	175.5	-54.4	0	0	0	0	111.1	S159 E160 A167 M251	S159-S163 PolarHBondContact O-N 3.41Å; S159-S163 PolarHBondContact O-OG 3.31Å; E160-S163 PolarHBondContact O-N 3.49Å; S163-A167 WeakPolarHBondContact O-CB 3.49Å; S163-A167 PolarHBondContact O-N 3.4Å; S163-M251 WeakPolarHBondContact O-CE 3.31Å; S163-M251 WeakPolarHBondContact OG-CB 3.5Å
164	R	97.1	Very high	95.6	Very high	38 Å²	38	23 Å²	23	14%	0.143	12%	0.119	C	C	.	.	H	α-helix	trans	-66	-40.9	176.7	-174.6	-173.1	-58.1	109.4	10.2	112.6	E160 H162 A168 W316 F317 T320	E160-R164 WeakPolarHBondContact O-CB 3.44Å; E160-R164 PolarHBondContact O-N 3.43Å; H162-R164 PolarHBondContact O-N 3.46Å; R164-A168 VanDerWaalsContact O-CB 3.23Å; R164-A168 WeakPolarHBondContact O-CB 3.18Å; R164-A168 PolarHBondContact O-N 3.34Å; R164-W316 HydrophobicContact CB-CE3 4.36Å; R164-W316 HydrophobicContact CB-CH2 3.59Å; R164-W316 HydrophobicContact CB-CZ2 3.93Å; R164-W316 HydrophobicContact CB-CZ3 3.8Å; R164-W316 WeakPolarHBondContact CD-O 3.34Å; R164-W316 HydrophobicContact CG-CE3 4.17Å; R164-W316 HydrophobicContact CG-CH2 4.26Å; R164-W316 HydrophobicContact CG-CZ3 3.95Å; R164-W316 VanDerWaalsContact N-CH2 3.35Å; R164-W316 PolarHBondContact NE-O 2.88Å; R164-F317 HydrophobicContact CG-CD1 3.7Å; R164-F317 HydrophobicContact CG-CE1 3.94Å; R164-T320 WeakPolarHBondContact CD-OG1 3.38Å
165	F	96	Very high	96	Very high	8 Å²	8	20.2 Å²	20.2	4%	0.035	11%	0.11	C	C	.	.	H	α-helix	trans	-61.5	-47.3	178.1	174.8	-106.2	0	0	0	111.7	P161 H162 Q169 G198 Y199 I330 P332 P333	P161-F165 PolarHBondContact O-N 3.03Å; H162-F165 WeakPolarHBondContact O-CB 3.45Å; H162-F165 PolarHBondContact O-N 3.44Å; H162-F165 VanDerWaalsContact O-N 3.11Å; F165-Q169 VanDerWaalsContact CD1-NE2 3.33Å; F165-Q169 WeakPolarHBondContact O-CG 3.47Å; F165-Q169 PolarHBondContact O-N 3Å; F165-Q169 PolarHBondContact O-NE2 3.46Å; F165-G198 WeakPolarHBondContact CE1-O 3.48Å; F165-Y199 HydrophobicContact CE2-CE1 4.05Å; F165-Y199 AromaticContact CE2-CZ 3.99Å; F165-Y199 HydrophobicContact CZ-CD1 4.05Å; F165-Y199 HydrophobicContact CZ-CD2 4.27Å; F165-Y199 AromaticContact CZ-CE1 3.8Å; F165-Y199 HydrophobicContact CZ-CE1 3.8Å; F165-Y199 HydrophobicContact CZ-CE2 4.01Å; F165-Y199 HydrophobicContact CZ-CG 4.29Å; F165-Y199 AromaticContact CZ-CZ 3.77Å; F165-I330 HydrophobicContact CD2-CG2 4.07Å; F165-I330 HydrophobicContact CE2-CB 4.24Å; F165-I330 HydrophobicContact CE2-CG2 3.88Å; F165-P332 HydrophobicContact CD1-CB 4.49Å; F165-P332 HydrophobicContact CE1-CB 3.95Å; F165-P332 HydrophobicContact CE1-CG 3.97Å; F165-P332 HydrophobicContact CZ-CB 4.13Å; F165-P332 HydrophobicContact CZ-CG 3.83Å; F165-P333 HydrophobicContact CB-CG 4.14Å
166	Y	97.1	Very high	96.4	Very high	1 Å²	1	18.8 Å²	18.8	0%	0.004	10%	0.102	C	C	.	.	H	α-helix	trans	-70.4	-43.5	175.9	-65.4	-57.9	0	0	0	112.6	M148 F158 H162 A168 Q169 I170 I194 L200 M251 A347 L348	M148-Y166 HydrophobicContact CE-CD1 3.92Å; M148-Y166 HydrophobicContact CE-CD2 3.93Å; M148-Y166 HydrophobicContact CE-CE1 4.45Å; M148-Y166 HydrophobicContact CE-CE2 4.46Å; M148-Y166 HydrophobicContact CE-CG 3.64Å; F158-Y166 HydrophobicContact CD2-CD2 4.18Å; F158-Y166 HydrophobicContact CD2-CE2 4.22Å; F158-Y166 HydrophobicContact CE2-CD2 4.13Å; F158-Y166 AromaticContact CE2-CE2 3.98Å; F158-Y166 HydrophobicContact CE2-CE2 3.98Å; H162-Y166 VanDerWaalsContact O-CD2 3.29Å; H162-Y166 WeakPolarHBondContact O-CD2 3.48Å; H162-Y166 PolarHBondContact O-N 2.86Å; H162-Y166 VanDerWaalsContact O-N 3.12Å; Y166-A168 VanDerWaalsContact C-N 3.27Å; Y166-A168 PolarHBondContact O-N 3.12Å; Y166-Q169 WeakPolarHBondContact O-CB 3.33Å; Y166-Q169 PolarHBondContact O-N 3.04Å; Y166-Q169 VanDerWaalsContact O-N 3.11Å; Y166-I170 WeakPolarHBondContact O-CG1 3.2Å; Y166-I170 PolarHBondContact O-N 3.34Å; Y166-I194 HydrophobicContact CE1-CD1 4.23Å; Y166-I194 HydrophobicContact CE1-CG1 4.46Å; Y166-L200 HydrophobicContact CD1-CB 4.04Å; Y166-L200 HydrophobicContact CD1-CD1 4.02Å; Y166-M251 HydrophobicContact CD2-SD 4.28Å; Y166-A347 PolarHBondContact OH-O 2.91Å; Y166-L348 HydrophobicContact CE2-CD2 4.31Å; Y166-L348 WeakPolarHBondContact OH-CD2 3.34Å
167	A	98.5	Very high	96.7	Very high	0 Å²	0	17 Å²	17	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-59.5	-37.7	177.5	0	0	0	0	0	112.3	S163 Q169 I170 V171 L244 I248 M251 W316 F317	S163-A167 WeakPolarHBondContact O-CB 3.49Å; S163-A167 PolarHBondContact O-N 3.4Å; A167-Q169 VanDerWaalsContact C-N 3.35Å; A167-Q169 PolarHBondContact O-N 2.86Å; A167-I170 PolarHBondContact O-N 3.32Å; A167-V171 WeakPolarHBondContact O-CB 3.3Å; A167-V171 VanDerWaalsContact O-CG2 3.23Å; A167-V171 WeakPolarHBondContact O-CG2 3.49Å; A167-V171 PolarHBondContact O-N 2.96Å; A167-L244 HydrophobicContact CB-CD1 4.3Å; A167-I248 HydrophobicContact CB-CD1 3.82Å; A167-I248 HydrophobicContact CB-CG1 3.7Å; A167-M251 HydrophobicContact CB-CE 4.38Å; A167-W316 HydrophobicContact CB-CH2 4.43Å; A167-W316 HydrophobicContact CB-CZ3 4.17Å; A167-F317 HydrophobicContact CB-CE1 4.13Å; A167-F317 HydrophobicContact CB-CZ 3.91Å
168	A	98.4	Very high	96.9	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-64.1	-39.1	176.6	0	0	0	0	0	112.4	R164 Y166 V171 L172 F317 T320 W322 I325	R164-A168 VanDerWaalsContact O-CB 3.23Å; R164-A168 WeakPolarHBondContact O-CB 3.18Å; R164-A168 PolarHBondContact O-N 3.34Å; Y166-A168 VanDerWaalsContact C-N 3.27Å; Y166-A168 PolarHBondContact O-N 3.12Å; A168-V171 PolarHBondContact O-N 2.86Å; A168-L172 WeakPolarHBondContact O-CG 3.5Å; A168-L172 PolarHBondContact O-N 2.93Å; A168-L172 VanDerWaalsContact O-N 3.08Å; A168-F317 HydrophobicContact CB-CD1 4.4Å; A168-F317 HydrophobicContact CB-CE1 4.02Å; A168-T320 HydrophobicContact CB-CG2 3.84Å; A168-W322 HydrophobicContact CB-CE3 4.32Å; A168-W322 HydrophobicContact CB-CH2 4.04Å; A168-W322 HydrophobicContact CB-CZ3 3.69Å; A168-W322 WeakPolarHBondContact O-CZ3 3.38Å; A168-I325 HydrophobicContact CB-CD1 3.47Å; A168-I325 VanDerWaalsContact CB-CD1 3.47Å
169	Q	98.3	Very high	97	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-64	-42.5	174.8	-67.3	168	74.7	0	0	111.3	F122 F165 Y166 A167 L172 A173 Y199 I325	F122-Q169 HydrophobicContact CD1-CB 4.27Å; F122-Q169 HydrophobicContact CD1-CG 4.15Å; F122-Q169 HydrophobicContact CD2-CB 3.71Å; F122-Q169 HydrophobicContact CD2-CG 4.12Å; F122-Q169 VanDerWaalsContact CD2-O 3.31Å; F122-Q169 WeakPolarHBondContact CD2-O 3.4Å; F122-Q169 HydrophobicContact CE1-CG 3.97Å; F122-Q169 HydrophobicContact CE2-CB 3.96Å; F122-Q169 HydrophobicContact CE2-CG 3.92Å; F122-Q169 HydrophobicContact CG-CB 3.9Å; F122-Q169 HydrophobicContact CG-CG 4.25Å; F122-Q169 HydrophobicContact CZ-CB 4.35Å; F122-Q169 HydrophobicContact CZ-CG 3.84Å; F165-Q169 VanDerWaalsContact CD1-NE2 3.33Å; F165-Q169 WeakPolarHBondContact O-CG 3.47Å; F165-Q169 PolarHBondContact O-N 3Å; F165-Q169 PolarHBondContact O-NE2 3.46Å; Y166-Q169 WeakPolarHBondContact O-CB 3.33Å; Y166-Q169 PolarHBondContact O-N 3.04Å; Y166-Q169 VanDerWaalsContact O-N 3.11Å; A167-Q169 VanDerWaalsContact C-N 3.35Å; A167-Q169 PolarHBondContact O-N 2.86Å; Q169-L172 PolarHBondContact O-N 2.96Å; Q169-A173 WeakPolarHBondContact O-CB 3.45Å; Q169-A173 PolarHBondContact O-N 2.87Å; Q169-Y199 HydrophobicContact CG-CD1 4.44Å; Q169-I325 HydrophobicContact CG-CG2 3.61Å
170	I	98.8	Very high	97.2	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-66.7	-40.6	177.9	-62	162.7	0	0	0	111.1	Y166 A167 L172 A173 F174 L187 L192 L200 I202 L244 L247	Y166-I170 WeakPolarHBondContact O-CG1 3.2Å; Y166-I170 PolarHBondContact O-N 3.34Å; A167-I170 PolarHBondContact O-N 3.32Å; I170-L172 VanDerWaalsContact C-N 3.31Å; I170-L172 PolarHBondContact O-N 3.45Å; I170-A173 PolarHBondContact O-N 3.35Å; I170-F174 HydrophobicContact CG2-CD1 4.37Å; I170-F174 HydrophobicContact CG2-CD2 4.03Å; I170-F174 HydrophobicContact CG2-CE1 4.16Å; I170-F174 HydrophobicContact CG2-CE2 3.77Å; I170-F174 HydrophobicContact CG2-CG 4.33Å; I170-F174 HydrophobicContact CG2-CZ 3.86Å; I170-F174 WeakPolarHBondContact O-CB 3.44Å; I170-F174 WeakPolarHBondContact O-CG 3.38Å; I170-F174 PolarHBondContact O-N 3.36Å; I170-L187 HydrophobicContact CD1-CD1 4.3Å; I170-L187 HydrophobicContact CG2-CD1 3.98Å; I170-L187 HydrophobicContact CG2-CD2 4.06Å; I170-L192 HydrophobicContact CD1-CD1 3.92Å; I170-L192 HydrophobicContact CD1-CD2 4.44Å; I170-L200 HydrophobicContact CD1-CD1 4.17Å; I170-L200 HydrophobicContact CG1-CD1 4.22Å; I170-L200 HydrophobicContact CG1-CD2 3.99Å; I170-I202 HydrophobicContact CG1-CD1 4.5Å; I170-L244 HydrophobicContact CB-CD1 4.21Å; I170-L244 HydrophobicContact CG2-CD1 3.93Å; I170-L247 HydrophobicContact CD1-CD2 3.27Å
171	V	98.8	Very high	97.3	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-58.2	-44.3	174.3	167.6	0	0	0	0	111	A167 A168 F174 E175 W241 L244 V308 I311 K312 F317 W322	A167-V171 WeakPolarHBondContact O-CB 3.3Å; A167-V171 VanDerWaalsContact O-CG2 3.23Å; A167-V171 WeakPolarHBondContact O-CG2 3.49Å; A167-V171 PolarHBondContact O-N 2.96Å; A168-V171 PolarHBondContact O-N 2.86Å; V171-F174 PolarHBondContact O-N 3.42Å; V171-E175 VanDerWaalsContact O-CB 3.3Å; V171-E175 WeakPolarHBondContact O-CB 3.29Å; V171-E175 PolarHBondContact O-N 3.33Å; V171-W241 HydrophobicContact CB-CZ3 4.39Å; V171-W241 HydrophobicContact CG1-CH2 4.39Å; V171-W241 HydrophobicContact CG1-CZ3 4.38Å; V171-W241 HydrophobicContact CG2-CZ3 4.08Å; V171-L244 HydrophobicContact CG2-CD2 3.5Å; V171-V308 HydrophobicContact CG1-CG2 3.78Å; V171-I311 HydrophobicContact CG2-CG2 3.94Å; V171-K312 HydrophobicContact CG1-CD 4.1Å; V171-K312 HydrophobicContact CG1-CG 3.66Å; V171-F317 HydrophobicContact CG2-CZ 4.25Å; V171-W322 HydrophobicContact CB-CH2 4.14Å; V171-W322 HydrophobicContact CB-CZ3 3.89Å; V171-W322 HydrophobicContact CG1-CH2 3.89Å; V171-W322 HydrophobicContact CG1-CZ3 3.73Å; V171-W322 HydrophobicContact CG2-CH2 4.49Å
172	L	98.3	Very high	97.6	Very high	11 Å²	11	9.3 Å²	9.3	6%	0.058	5%	0.047	C	C	.	.	H	α-helix	trans	-65.6	-41.2	176.8	-70.9	170.1	0	0	0	111.9	F120 F122 A168 Q169 I170 E175 Y176 W322 I325	F120-L172 HydrophobicContact CE1-CB 4.06Å; F120-L172 HydrophobicContact CZ-CB 4Å; F120-L172 WeakPolarHBondContact CZ-O 3.42Å; F122-L172 HydrophobicContact CD2-CB 4.28Å; F122-L172 HydrophobicContact CE2-CB 4.08Å; F122-L172 HydrophobicContact CE2-CD1 3.78Å; A168-L172 WeakPolarHBondContact O-CG 3.5Å; A168-L172 PolarHBondContact O-N 2.93Å; A168-L172 VanDerWaalsContact O-N 3.08Å; Q169-L172 PolarHBondContact O-N 2.96Å; I170-L172 VanDerWaalsContact C-N 3.31Å; I170-L172 PolarHBondContact O-N 3.45Å; L172-E175 PolarHBondContact O-N 2.91Å; L172-Y176 WeakPolarHBondContact O-CB 3.1Å; L172-Y176 PolarHBondContact O-N 3.27Å; L172-W322 HydrophobicContact CD1-CE3 4.16Å; L172-W322 HydrophobicContact CD2-CE3 3.94Å; L172-W322 HydrophobicContact CG-CE3 3.86Å; L172-W322 HydrophobicContact CG-CZ3 4.25Å; L172-I325 HydrophobicContact CD1-CB 4.34Å; L172-I325 HydrophobicContact CD1-CG2 3.86Å
173	A	98.6	Very high	97.8	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-64.3	-41.7	176.4	0	0	0	0	0	112.2	F120 F122 L123 Q169 I170 Y176 L177 I202	F120-A173 HydrophobicContact CD1-CB 4.23Å; F120-A173 HydrophobicContact CE1-CB 4.24Å; F122-A173 HydrophobicContact CB-CB 4.47Å; L123-A173 HydrophobicContact CD2-CB 3.81Å; Q169-A173 WeakPolarHBondContact O-CB 3.45Å; Q169-A173 PolarHBondContact O-N 2.87Å; I170-A173 PolarHBondContact O-N 3.35Å; A173-Y176 WeakPolarHBondContact O-CB 3.43Å; A173-Y176 PolarHBondContact O-N 2.89Å; A173-L177 WeakPolarHBondContact O-CB 3.35Å; A173-L177 VanDerWaalsContact O-CG 3.32Å; A173-L177 WeakPolarHBondContact O-CG 3.27Å; A173-L177 PolarHBondContact O-N 3.42Å; A173-I202 HydrophobicContact CB-CD1 3.65Å
174	F	98.7	Very high	98	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-70.4	-39.6	175.9	-74.1	-2.8	0	0	0	112.4	I170 V171 Y176 L177 H178 Y184 L187 I202 D240 W241 L244	I170-F174 HydrophobicContact CG2-CD1 4.37Å; I170-F174 HydrophobicContact CG2-CD2 4.03Å; I170-F174 HydrophobicContact CG2-CE1 4.16Å; I170-F174 HydrophobicContact CG2-CE2 3.77Å; I170-F174 HydrophobicContact CG2-CG 4.33Å; I170-F174 HydrophobicContact CG2-CZ 3.86Å; I170-F174 WeakPolarHBondContact O-CB 3.44Å; I170-F174 WeakPolarHBondContact O-CG 3.38Å; I170-F174 PolarHBondContact O-N 3.36Å; V171-F174 PolarHBondContact O-N 3.42Å; F174-Y176 VanDerWaalsContact C-N 3.27Å; F174-Y176 PolarHBondContact O-N 2.92Å; F174-L177 HydrophobicContact CD1-CD1 4.38Å; F174-L177 PolarHBondContact O-N 3.21Å; F174-H178 WeakPolarHBondContact O-CB 3.33Å; F174-H178 PolarHBondContact O-CD2 3.32Å; F174-H178 PolarHBondContact O-N 2.98Å; F174-Y184 AromaticContact CE1-CD1 3.82Å; F174-Y184 HydrophobicContact CE1-CD1 3.82Å; F174-Y184 HydrophobicContact CE1-CG 4.07Å; F174-Y184 HydrophobicContact CZ-CD1 4.03Å; F174-L187 HydrophobicContact CE2-CD2 3.93Å; F174-L187 HydrophobicContact CZ-CB 4.06Å; F174-L187 HydrophobicContact CZ-CD1 3.96Å; F174-L187 HydrophobicContact CZ-CD2 3.87Å; F174-L187 HydrophobicContact CZ-CG 4.18Å; F174-I202 HydrophobicContact CE1-CD1 4.36Å; F174-D240 HydrophobicContact CD2-CB 3.82Å; F174-D240 HydrophobicContact CE2-CB 3.61Å; F174-D240 WeakPolarHBondContact CE2-O 3.45Å; F174-D240 HydrophobicContact CG-CB 4.44Å; F174-D240 HydrophobicContact CZ-CB 4.04Å; F174-W241 HydrophobicContact CB-CH2 3.54Å; F174-W241 HydrophobicContact CB-CZ2 4.08Å; F174-W241 HydrophobicContact CB-CZ3 3.89Å; F174-W241 HydrophobicContact CD2-CE3 4.1Å; F174-W241 HydrophobicContact CD2-CH2 4.38Å; F174-W241 AromaticContact CD2-CZ3 3.91Å; F174-W241 HydrophobicContact CD2-CZ3 3.91Å; F174-W241 HydrophobicContact CG-CZ3 4.43Å; F174-L244 HydrophobicContact CE2-CB 4.49Å
175	E	97.8	Very high	98	Very high	29 Å²	29	8.5 Å²	8.5	14%	0.136	4%	0.043	C	C	.	.	H	α-helix	trans	-55.4	-45.9	172.2	-177.3	172.3	-137.4	0	0	110.8	L39 V171 L172 S179 V308 K312	L39-E175 HydrophobicContact CD1-CG 4.23Å; V171-E175 VanDerWaalsContact O-CB 3.3Å; V171-E175 WeakPolarHBondContact O-CB 3.29Å; V171-E175 PolarHBondContact O-N 3.33Å; L172-E175 PolarHBondContact O-N 2.91Å; E175-S179 WeakPolarHBondContact O-CB 3.36Å; E175-S179 PolarHBondContact O-N 3.38Å; E175-S179 VanDerWaalsContact O-N 3.07Å; E175-V308 HydrophobicContact CB-CG2 4.33Å; E175-V308 HydrophobicContact CG-CG1 4.09Å; E175-V308 WeakPolarHBondContact OE1-CG1 3.01Å; E175-K312 VanDerWaalsContact CD-NZ 3.28Å; E175-K312 IonicContact OE1-NZ 3.32Å; E175-K312 PolarHBondContact OE1-NZ 2.76Å; E175-K312 IonicContact OE2-NZ 2.97Å; E175-K312 PolarHBondContact OE2-NZ 3.35Å
176	Y	98.1	Very high	98.1	Very high	6 Å²	6	8.3 Å²	8.3	2%	0.024	4%	0.042	C	C	.	.	H	α-helix	trans	-60.8	-58.3	172.9	170.1	-96	0	0	0	112.1	A42 I118 D119 F120 L123 L172 A173 F174 H178 S179 L180	A42-Y176 HydrophobicContact CB-CD2 4.12Å; A42-Y176 HydrophobicContact CB-CE2 3.74Å; I118-Y176 WeakPolarHBondContact CA-OH 3.49Å; I118-Y176 HydrophobicContact CB-CE1 4.13Å; I118-Y176 HydrophobicContact CG2-CE1 4.29Å; D119-Y176 PolarHBondContact N-OH 3.07Å; D119-Y176 PolarHBondContact O-OH 3.35Å; F120-Y176 HydrophobicContact CB-CD1 3.8Å; F120-Y176 HydrophobicContact CB-CD2 4.43Å; F120-Y176 HydrophobicContact CB-CE1 3.87Å; F120-Y176 HydrophobicContact CB-CE2 4.44Å; F120-Y176 HydrophobicContact CB-CG 4.11Å; F120-Y176 HydrophobicContact CD2-CD1 4.08Å; F120-Y176 AromaticContact CD2-CD2 3.5Å; F120-Y176 HydrophobicContact CD2-CD2 3.5Å; F120-Y176 VanDerWaalsContact CD2-CD2 3.5Å; F120-Y176 HydrophobicContact CD2-CE2 4.07Å; F120-Y176 AromaticContact CD2-CG 3.49Å; F120-Y176 HydrophobicContact CD2-CG 3.49Å; F120-Y176 VanDerWaalsContact CD2-CG 3.49Å; F120-Y176 HydrophobicContact CE2-CD2 4.04Å; F120-Y176 HydrophobicContact CE2-CG 4.01Å; F120-Y176 AromaticContact CG-CD1 3.94Å; F120-Y176 HydrophobicContact CG-CD1 3.94Å; F120-Y176 HydrophobicContact CG-CD2 4.19Å; F120-Y176 HydrophobicContact CG-CE1 4.46Å; F120-Y176 AromaticContact CG-CG 3.8Å; F120-Y176 HydrophobicContact CG-CG 3.8Å; L123-Y176 HydrophobicContact CD1-CD1 3.85Å; L123-Y176 HydrophobicContact CD1-CE1 3.87Å; L172-Y176 WeakPolarHBondContact O-CB 3.1Å; L172-Y176 PolarHBondContact O-N 3.27Å; A173-Y176 WeakPolarHBondContact O-CB 3.43Å; A173-Y176 PolarHBondContact O-N 2.89Å; F174-Y176 VanDerWaalsContact C-N 3.27Å; F174-Y176 PolarHBondContact O-N 2.92Å; Y176-H178 VanDerWaalsContact C-N 3.32Å; Y176-H178 PolarHBondContact O-N 3.44Å; Y176-S179 WeakPolarHBondContact O-CB 3.43Å; Y176-S179 PolarHBondContact O-N 2.7Å; Y176-S179 VanDerWaalsContact O-N 3.09Å; Y176-S179 PolarHBondContact O-OG 3.4Å; Y176-L180 HydrophobicContact CD1-CD1 4.21Å; Y176-L180 HydrophobicContact CE1-CD1 3.55Å; Y176-L180 HydrophobicContact CE2-CD1 4.07Å; Y176-L180 VanDerWaalsContact CZ-CD1 3.46Å; Y176-L180 WeakPolarHBondContact O-CG 3.41Å; Y176-L180 PolarHBondContact O-N 3.09Å
177	L	98.5	Very high	98.1	Very high	1 Å²	1	8.3 Å²	8.3	1%	0.005	4%	0.042	C	C	.	.	H	α-helix	trans	-58.5	-43.6	-177.3	-72.1	175.6	0	0	0	112.1	I118 L123 A173 F174 S179 L180 D181 L182 F205	I118-L177 HydrophobicContact CG2-CD2 3.96Å; L123-L177 HydrophobicContact CD1-CD1 4.39Å; L123-L177 HydrophobicContact CD1-CD2 3.81Å; L123-L177 HydrophobicContact CD1-CG 4.05Å; L123-L177 HydrophobicContact CD2-CD1 4.44Å; A173-L177 WeakPolarHBondContact O-CB 3.35Å; A173-L177 VanDerWaalsContact O-CG 3.32Å; A173-L177 WeakPolarHBondContact O-CG 3.27Å; A173-L177 PolarHBondContact O-N 3.42Å; F174-L177 HydrophobicContact CD1-CD1 4.38Å; F174-L177 PolarHBondContact O-N 3.21Å; L177-S179 VanDerWaalsContact C-N 3.3Å; L177-S179 PolarHBondContact O-N 3.02Å; L177-L180 CarbonylContact O-C 3.46Å; L177-L180 WeakPolarHBondContact O-CA 3.44Å; L177-L180 WeakPolarHBondContact O-CB 3.39Å; L177-L180 PolarHBondContact O-N 2.79Å; L177-D181 PolarHBondContact O-N 3.31Å; L177-L182 CarbonylContact C-O 3.58Å; L177-L182 HydrophobicContact CB-CB 4.13Å; L177-L182 HydrophobicContact CD2-CB 4.17Å; L177-L182 HydrophobicContact CD2-CD1 3.8Å; L177-L182 WeakPolarHBondContact O-CB 3.46Å; L177-L182 PolarHBondContact O-N 2.94Å; L177-F205 HydrophobicContact CD1-CE1 4.03Å; L177-F205 HydrophobicContact CD2-CE1 4.03Å
178	H	97.7	Very high	98.1	Very high	18 Å²	18	9.9 Å²	9.9	8%	0.083	5%	0.049	C	C	.	.	H	α-helix	trans	-66	-33.5	179.9	-70.3	-171.8	0	0	0	111.5	F174 Y176 L180 D181 L182 K237 D240 W241	F174-H178 WeakPolarHBondContact O-CB 3.33Å; F174-H178 PolarHBondContact O-CD2 3.32Å; F174-H178 PolarHBondContact O-N 2.98Å; Y176-H178 VanDerWaalsContact C-N 3.32Å; Y176-H178 PolarHBondContact O-N 3.44Å; H178-L180 PolarHBondContact O-N 3.2Å; H178-D181 PolarHBondContact O-N 3.21Å; H178-D181 VanDerWaalsContact O-N 3.08Å; H178-L182 PolarHBondContact CD2-O 3.42Å; H178-K237 HydrophobicContact CB-CD 3.81Å; H178-K237 HydrophobicContact CB-CG 4.23Å; H178-K237 PolarHBondContact CE1-O 2.62Å; H178-K237 VanDerWaalsContact CE1-O 3.28Å; H178-K237 WeakPolarHBondContact O-CE 3.4Å; H178-D240 IonicContact CD2-OD2 2.69Å; H178-D240 IonicContact CE1-OD2 3.1Å; H178-D240 IonicContact NE2-OD2 3.03Å; H178-D240 PolarHBondContact NE2-OD2 3.41Å; H178-W241 AromaticContact CE1-CE2 3.75Å; H178-W241 AromaticContact CE1-CZ2 3.94Å; H178-W241 AromaticContact CE1-NE1 3.61Å; H178-W241 AromaticContact ND1-CE2 3.79Å; H178-W241 AromaticContact ND1-CZ2 3.71Å; H178-W241 AromaticContact ND1-NE1 3.59Å
179	S	96.6	Very high	98	Very high	28 Å²	28	9.9 Å²	9.9	20%	0.196	5%	0.049	C	C	.	.	H	α-helix	trans	-61.4	-24.9	172.4	82	0	0	0	0	112.6	R43 E175 Y176 L177	R43-S179 VanDerWaalsContact CD-O 3.27Å; R43-S179 WeakPolarHBondContact CD-O 3.45Å; E175-S179 WeakPolarHBondContact O-CB 3.36Å; E175-S179 PolarHBondContact O-N 3.38Å; E175-S179 VanDerWaalsContact O-N 3.07Å; Y176-S179 WeakPolarHBondContact O-CB 3.43Å; Y176-S179 PolarHBondContact O-N 2.7Å; Y176-S179 VanDerWaalsContact O-N 3.09Å; Y176-S179 PolarHBondContact O-OG 3.4Å; L177-S179 VanDerWaalsContact C-N 3.3Å; L177-S179 PolarHBondContact O-N 3.02Å
180	L	97.4	Very high	97.9	Very high	4 Å²	4	12.9 Å²	12.9	2%	0.021	6%	0.064	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.6	6	178.5	-52.8	177.5	0	0	0	113.3	R43 F46 I118 Y176 L177 H178 L182	R43-L180 HydrophobicContact CB-CD2 4.37Å; R43-L180 HydrophobicContact CG-CD2 3.77Å; F46-L180 HydrophobicContact CB-CD1 4.09Å; F46-L180 HydrophobicContact CB-CD2 3.58Å; F46-L180 HydrophobicContact CB-CG 4.39Å; F46-L180 HydrophobicContact CD1-CB 4.23Å; F46-L180 HydrophobicContact CD1-CD2 3.99Å; F46-L180 HydrophobicContact CD1-CG 4.46Å; F46-L180 HydrophobicContact CD2-CB 4.43Å; F46-L180 HydrophobicContact CD2-CD1 3.54Å; F46-L180 HydrophobicContact CD2-CD2 4.35Å; F46-L180 HydrophobicContact CD2-CG 4.31Å; F46-L180 HydrophobicContact CE1-CB 4.25Å; F46-L180 HydrophobicContact CE2-CB 4.45Å; F46-L180 HydrophobicContact CE2-CD1 4.07Å; F46-L180 HydrophobicContact CG-CB 4.31Å; F46-L180 HydrophobicContact CG-CD1 3.8Å; F46-L180 HydrophobicContact CG-CD2 3.72Å; F46-L180 HydrophobicContact CG-CG 4.13Å; F46-L180 HydrophobicContact CZ-CB 4.37Å; I118-L180 HydrophobicContact CG2-CD1 4.34Å; Y176-L180 HydrophobicContact CD1-CD1 4.21Å; Y176-L180 HydrophobicContact CE1-CD1 3.55Å; Y176-L180 HydrophobicContact CE2-CD1 4.07Å; Y176-L180 VanDerWaalsContact CZ-CD1 3.46Å; Y176-L180 WeakPolarHBondContact O-CG 3.41Å; Y176-L180 PolarHBondContact O-N 3.09Å; L177-L180 CarbonylContact O-C 3.46Å; L177-L180 WeakPolarHBondContact O-CA 3.44Å; L177-L180 WeakPolarHBondContact O-CB 3.39Å; L177-L180 PolarHBondContact O-N 2.79Å; H178-L180 PolarHBondContact O-N 3.2Å; L180-L182 HydrophobicContact CB-CD1 4.16Å; L180-L182 HydrophobicContact CB-CG 4.18Å; L180-L182 HydrophobicContact CD1-CD1 4.2Å; L180-L182 PolarHBondContact O-N 3.41Å
181	D	97.4	Very high	97.8	Very high	44 Å²	44	13.5 Å²	13.5	24%	0.235	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.6	18.4	-167.6	-64.3	-47.6	0	0	0	114.6	L177 H178 R210 V211 K212 K237	L177-D181 PolarHBondContact O-N 3.31Å; H178-D181 PolarHBondContact O-N 3.21Å; H178-D181 VanDerWaalsContact O-N 3.08Å; D181-R210 HydrophobicContact CB-CG 4.01Å; D181-R210 CarbonylContact O-C 3.53Å; D181-R210 VanDerWaalsContact O-CA 3.29Å; D181-R210 WeakPolarHBondContact O-CA 3.48Å; D181-V211 PolarHBondContact O-N 2.9Å; D181-K212 HydrophobicContact CB-CG 4.49Å; D181-K237 IonicContact OD1-NZ 3.45Å; D181-K237 PolarHBondContact OD1-NZ 3.41Å
182	L	98.4	Very high	97.7	Very high	1 Å²	1	13.5 Å²	13.5	1%	0.005	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	135.1	173.6	-64.8	170.4	0	0	0	110.1	F46 I114 I118 L177 H178 L180 K209 R210	F46-L182 HydrophobicContact CE2-CD1 3.81Å; F46-L182 HydrophobicContact CZ-CD1 4.14Å; F46-L182 HydrophobicContact CZ-CG 4.42Å; I114-L182 HydrophobicContact CD1-CD2 3.92Å; I114-L182 HydrophobicContact CG1-CD2 3.85Å; I114-L182 HydrophobicContact CG2-CD1 4.06Å; I114-L182 HydrophobicContact CG2-CD2 4.41Å; I118-L182 HydrophobicContact CG2-CD1 3.53Å; L177-L182 CarbonylContact C-O 3.58Å; L177-L182 HydrophobicContact CB-CB 4.13Å; L177-L182 HydrophobicContact CD2-CB 4.17Å; L177-L182 HydrophobicContact CD2-CD1 3.8Å; L177-L182 WeakPolarHBondContact O-CB 3.46Å; L177-L182 PolarHBondContact O-N 2.94Å; H178-L182 PolarHBondContact CD2-O 3.42Å; L180-L182 HydrophobicContact CB-CD1 4.16Å; L180-L182 HydrophobicContact CB-CG 4.18Å; L180-L182 HydrophobicContact CD1-CD1 4.2Å; L180-L182 PolarHBondContact O-N 3.41Å; L182-K209 WeakPolarHBondContact CA-O 3.32Å; L182-R210 HydrophobicContact CD2-CB 3.87Å; L182-R210 HydrophobicContact CD2-CG 4.29Å
183	I	98.1	Very high	97.6	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	137.1	166.1	58.6	176.5	0	0	0	108.4	R185 A208 K209 V211 T215 Y235 K237 D240	I183-R185 HydrophobicContact CB-CG 4.18Å; I183-R185 HydrophobicContact CD1-CG 3.83Å; I183-R185 HydrophobicContact CG1-CG 3.82Å; I183-A208 CarbonylContact O-C 3.53Å; I183-A208 WeakPolarHBondContact O-CA 3.3Å; I183-K209 HydrophobicContact CG1-CB 4.49Å; I183-K209 WeakPolarHBondContact CG1-O 3.3Å; I183-K209 PolarHBondContact N-O 2.92Å; I183-K209 PolarHBondContact O-N 3.45Å; I183-V211 HydrophobicContact CD1-CB 4.13Å; I183-V211 HydrophobicContact CD1-CG2 3.51Å; I183-V211 HydrophobicContact CG1-CB 4.41Å; I183-V211 HydrophobicContact CG1-CG2 3.85Å; I183-T215 HydrophobicContact CD1-CG2 3.95Å; I183-Y235 HydrophobicContact CD1-CE2 3.96Å; I183-K237 HydrophobicContact CG2-CB 4.19Å; I183-K237 HydrophobicContact CG2-CG 3.64Å; I183-D240 WeakPolarHBondContact CA-OD2 3.29Å
184	Y	98.6	Very high	97.3	Very high	1 Å²	1	14 Å²	14	0%	0.004	7%	0.069	C	C	.	.			trans	-87	-44.9	-171.3	177.4	-114.9	0	0	0	112.5	F174 D186 L187 N191 I202 T203 D204 F205 F207 A208 D240	F174-Y184 AromaticContact CE1-CD1 3.82Å; F174-Y184 HydrophobicContact CE1-CD1 3.82Å; F174-Y184 HydrophobicContact CE1-CG 4.07Å; F174-Y184 HydrophobicContact CZ-CD1 4.03Å; Y184-D186 WeakPolarHBondContact CE1-O 3.43Å; Y184-D186 PolarHBondContact O-N 3.15Å; Y184-D186 VanDerWaalsContact O-N 3.09Å; Y184-D186 PolarHBondContact OH-O 2.87Å; Y184-L187 HydrophobicContact CD1-CB 4.18Å; Y184-L187 HydrophobicContact CE1-CB 4.15Å; Y184-L187 HydrophobicContact CE1-CD1 4.33Å; Y184-L187 VanDerWaalsContact CE1-N 3.32Å; Y184-N191 WeakPolarHBondContact OH-CB 3.36Å; Y184-N191 PolarHBondContact OH-ND2 2.82Å; Y184-I202 HydrophobicContact CD2-CG2 4.3Å; Y184-I202 HydrophobicContact CE1-CG2 3.91Å; Y184-I202 HydrophobicContact CE2-CG2 3.63Å; Y184-I202 VanDerWaalsContact CZ-CG2 3.43Å; Y184-T203 PolarHBondContact OH-O 3.23Å; Y184-D204 WeakPolarHBondContact CE2-O 3.14Å; Y184-F205 HydrophobicContact CD2-CD1 4.2Å; Y184-F205 HydrophobicContact CD2-CE1 4.1Å; Y184-F205 HydrophobicContact CE2-CD1 4.45Å; Y184-F205 HydrophobicContact CE2-CE1 4.46Å; Y184-F207 CarbonylContact O-C 3.6Å; Y184-A208 HydrophobicContact CD2-CB 4.49Å; Y184-A208 PolarHBondContact O-N 3.08Å; Y184-D240 PolarHBondContact N-OD1 3.49Å; Y184-D240 PolarHBondContact N-OD2 2.84Å
185	R	98	Very high	97	Very high	26 Å²	26	14.7 Å²	14.7	10%	0.098	7%	0.073	C	C	.	.			trans	65.2	-2.5	170.8	-54.8	-170.5	-69.9	173.8	6.6	118.3	I183 F207 C219 Y235 V239 D240	I183-R185 HydrophobicContact CB-CG 4.18Å; I183-R185 HydrophobicContact CD1-CG 3.83Å; I183-R185 HydrophobicContact CG1-CG 3.82Å; R185-F207 HydrophobicContact CB-CB 4.3Å; R185-F207 PolarHBondContact NE-O 2.9Å; R185-F207 PolarHBondContact NH2-O 3.42Å; R185-C219 PolarHBondContact NH1-SG 3.08Å; R185-C219 VanDerWaalsContact NH1-SG 3.45Å; R185-Y235 WeakPolarHBondContact CD-OH 3.29Å; R185-Y235 PolarHBondContact NH1-OH 3.29Å; R185-V239 HydrophobicContact CG-CG2 4.42Å; R185-D240 PolarHBondContact N-OD1 3.44Å
186	D	97.2	Very high	96.5	Very high	4 Å²	4	16.4 Å²	16.4	2%	0.021	9%	0.088	C	C	.	.			trans	-134.4	45.2	176.9	-150.2	29	0	0	0	113.4	Y184 K188 N191 F207 T221	Y184-D186 WeakPolarHBondContact CE1-O 3.43Å; Y184-D186 PolarHBondContact O-N 3.15Å; Y184-D186 VanDerWaalsContact O-N 3.09Å; Y184-D186 PolarHBondContact OH-O 2.87Å; D186-K188 PolarHBondContact O-N 3.34Å; D186-K188 IonicContact OD1-NZ 3.43Å; D186-K188 PolarHBondContact OD1-NZ 3.17Å; D186-K188 WeakPolarHBondContact OD2-CE 3.17Å; D186-K188 IonicContact OD2-NZ 2.67Å; D186-K188 PolarHBondContact OD2-NZ 3.23Å; D186-N191 PolarHBondContact O-ND2 3.41Å; D186-N191 PolarHBondContact OD2-ND2 3.17Å; D186-F207 HydrophobicContact CB-CB 4.22Å; D186-F207 HydrophobicContact CB-CD2 3.68Å; D186-F207 HydrophobicContact CB-CG 4.44Å; D186-F207 VanDerWaalsContact CG-CD2 3.48Å; D186-T221 PolarHBondContact OD1-N 2.93Å; D186-T221 PolarHBondContact OD1-OG1 3.32Å
187	L	98.6	Very high	96	Very high	1 Å²	1	19.3 Å²	19.3	1%	0.005	11%	0.107	C	C	.	.			trans	-70.4	119.5	172.4	-170.1	71.5	0	0	0	109.7	I170 F174 Y184 L192 Y224 A243 L244 L247	I170-L187 HydrophobicContact CD1-CD1 4.3Å; I170-L187 HydrophobicContact CG2-CD1 3.98Å; I170-L187 HydrophobicContact CG2-CD2 4.06Å; F174-L187 HydrophobicContact CE2-CD2 3.93Å; F174-L187 HydrophobicContact CZ-CB 4.06Å; F174-L187 HydrophobicContact CZ-CD1 3.96Å; F174-L187 HydrophobicContact CZ-CD2 3.87Å; F174-L187 HydrophobicContact CZ-CG 4.18Å; Y184-L187 HydrophobicContact CD1-CB 4.18Å; Y184-L187 HydrophobicContact CE1-CB 4.15Å; Y184-L187 HydrophobicContact CE1-CD1 4.33Å; Y184-L187 VanDerWaalsContact CE1-N 3.32Å; L187-L192 HydrophobicContact CD1-CD1 4.17Å; L187-L192 HydrophobicContact CD1-CD2 3.9Å; L187-L192 HydrophobicContact CD1-CG 4.39Å; L187-Y224 WeakPolarHBondContact O-CD1 3.4Å; L187-Y224 WeakPolarHBondContact O-CE1 3.34Å; L187-A243 HydrophobicContact CB-CB 3.92Å; L187-A243 HydrophobicContact CD2-CB 4.32Å; L187-L244 HydrophobicContact CD2-CB 4.2Å; L187-L247 HydrophobicContact CD1-CD2 4.14Å; L187-L247 HydrophobicContact CD2-CB 4.13Å; L187-L247 HydrophobicContact CD2-CD2 3.85Å; L187-L247 HydrophobicContact CG-CD2 4.01Å
188	K	97.7	Very high	95.6	Very high	33 Å²	33	19.2 Å²	19.2	14%	0.143	11%	0.106	C	C	.	.	S	Bend	trans	-162.5	159	174.7	62.2	-178.3	162.5	-153.8	0	109.4	D186 E190 N191 L192 T221 Y224	D186-K188 PolarHBondContact O-N 3.34Å; D186-K188 IonicContact OD1-NZ 3.43Å; D186-K188 PolarHBondContact OD1-NZ 3.17Å; D186-K188 WeakPolarHBondContact OD2-CE 3.17Å; D186-K188 IonicContact OD2-NZ 2.67Å; D186-K188 PolarHBondContact OD2-NZ 3.23Å; K188-E190 VanDerWaalsContact CB-OE2 3.26Å; K188-E190 WeakPolarHBondContact CB-OE2 3.22Å; K188-E190 HydrophobicContact CD-CB 4.13Å; K188-E190 WeakPolarHBondContact CD-OE2 3.36Å; K188-E190 HydrophobicContact CG-CB 4.14Å; K188-E190 VanDerWaalsContact CG-OE2 3.24Å; K188-E190 WeakPolarHBondContact CG-OE2 3.4Å; K188-E190 PolarHBondContact O-N 3.09Å; K188-E190 VanDerWaalsContact O-N 3.14Å; K188-N191 VanDerWaalsContact CE-CG 3.43Å; K188-N191 WeakPolarHBondContact CE-ND2 3.06Å; K188-N191 WeakPolarHBondContact CE-OD1 3.3Å; K188-N191 HydrophobicContact CG-CB 4.3Å; K188-N191 PolarHBondContact O-N 3.15Å; K188-N191 VanDerWaalsContact O-N 3.14Å; K188-L192 WeakPolarHBondContact O-CG 3.45Å; K188-T221 HydrophobicContact CD-CG2 4.3Å; K188-T221 WeakPolarHBondContact CD-OG1 3.41Å; K188-T221 PolarHBondContact NZ-OG1 3.37Å; K188-Y224 HydrophobicContact CB-CD2 4.14Å; K188-Y224 HydrophobicContact CB-CE2 3.99Å
189	P	97.3	Very high	95.4	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.103	C	C	.	.	G	3₁₀ helix	trans	-56.6	-27.8	-178.3	-26.5	34.9	0	0	0	114.6	M148 F149 L192 Y224 L247	M148-P189 HydrophobicContact CB-CB 4.39Å; M148-P189 WeakPolarHBondContact CB-O 3.4Å; M148-P189 HydrophobicContact CG-CB 4.35Å; M148-P189 PolarHBondContact N-O 3.07Å; F149-P189 HydrophobicContact CB-CB 3.82Å; F149-P189 HydrophobicContact CD2-CB 4.23Å; F149-P189 PolarHBondContact N-O 2.97Å; F149-P189 VanDerWaalsContact N-O 3.14Å; P189-L192 PolarHBondContact O-N 3.31Å; P189-Y224 WeakPolarHBondContact CD-OH 3.23Å; P189-L247 HydrophobicContact CG-CD1 3.77Å
190	E	95.1	Very high	95.4	Very high	64 Å²	64	17.3 Å²	17.3	30%	0.299	9%	0.094	S	C	.	.	G	3₁₀ helix	trans	-68.7	-34.3	-179.9	-60.9	85.8	160.9	0	0	111.8	F149 K188 L192	F149-E190 HydrophobicContact CB-CG 3.96Å; F149-E190 HydrophobicContact CD2-CG 4Å; F149-E190 WeakPolarHBondContact CD2-OE1 3.1Å; F149-E190 WeakPolarHBondContact CE2-OE1 3.42Å; F149-E190 HydrophobicContact CG-CG 3.96Å; K188-E190 VanDerWaalsContact CB-OE2 3.26Å; K188-E190 WeakPolarHBondContact CB-OE2 3.22Å; K188-E190 HydrophobicContact CD-CB 4.13Å; K188-E190 WeakPolarHBondContact CD-OE2 3.36Å; K188-E190 HydrophobicContact CG-CB 4.14Å; K188-E190 VanDerWaalsContact CG-OE2 3.24Å; K188-E190 WeakPolarHBondContact CG-OE2 3.4Å; K188-E190 PolarHBondContact O-N 3.09Å; K188-E190 VanDerWaalsContact O-N 3.14Å; E190-L192 VanDerWaalsContact C-N 3.27Å; E190-L192 PolarHBondContact O-N 3.38Å
191	N	96.7	Very high	95.4	Very high	12 Å²	12	17.8 Å²	17.8	6%	0.064	10%	0.096	C	C	.	.	G	3₁₀ helix	trans	-91.7	14.2	-180	-63.8	4.6	0	0	0	112.8	Y184 D186 K188 T203	Y184-N191 WeakPolarHBondContact OH-CB 3.36Å; Y184-N191 PolarHBondContact OH-ND2 2.82Å; D186-N191 PolarHBondContact O-ND2 3.41Å; D186-N191 PolarHBondContact OD2-ND2 3.17Å; K188-N191 VanDerWaalsContact CE-CG 3.43Å; K188-N191 WeakPolarHBondContact CE-ND2 3.06Å; K188-N191 WeakPolarHBondContact CE-OD1 3.3Å; K188-N191 HydrophobicContact CG-CB 4.3Å; K188-N191 PolarHBondContact O-N 3.15Å; K188-N191 VanDerWaalsContact O-N 3.14Å; N191-T203 PolarHBondContact O-N 3Å
192	L	97.6	Very high	95.5	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	103.3	-179.5	-62.2	177.7	0	0	0	109.3	M148 I170 L187 K188 P189 E190 L200 I202 L247	M148-L192 HydrophobicContact CB-CB 3.95Å; M148-L192 WeakPolarHBondContact CB-O 3.35Å; M148-L192 HydrophobicContact CE-CB 4.26Å; M148-L192 HydrophobicContact CE-CD1 4.03Å; M148-L192 PolarHBondContact N-O 2.79Å; M148-L192 HydrophobicContact SD-CB 4.46Å; M148-L192 HydrophobicContact SD-CD1 3.83Å; I170-L192 HydrophobicContact CD1-CD1 3.92Å; I170-L192 HydrophobicContact CD1-CD2 4.44Å; L187-L192 HydrophobicContact CD1-CD1 4.17Å; L187-L192 HydrophobicContact CD1-CD2 3.9Å; L187-L192 HydrophobicContact CD1-CG 4.39Å; K188-L192 WeakPolarHBondContact O-CG 3.45Å; P189-L192 PolarHBondContact O-N 3.31Å; E190-L192 VanDerWaalsContact C-N 3.27Å; E190-L192 PolarHBondContact O-N 3.38Å; L192-L200 HydrophobicContact CB-CD1 3.93Å; L192-L200 HydrophobicContact CB-CG 4.48Å; L192-L200 HydrophobicContact CD1-CD1 4.09Å; L192-L200 HydrophobicContact CD2-CD1 3.95Å; L192-L200 HydrophobicContact CD2-CD2 4.08Å; L192-L200 HydrophobicContact CD2-CG 4.26Å; L192-L200 HydrophobicContact CG-CD1 4.19Å; L192-I202 HydrophobicContact CD2-CB 4.32Å; L192-I202 HydrophobicContact CD2-CD1 4.47Å; L192-I202 HydrophobicContact CD2-CG1 3.71Å; L192-I202 HydrophobicContact CD2-CG2 4.41Å; L192-L247 HydrophobicContact CD1-CD1 4.05Å; L192-L247 HydrophobicContact CD1-CD2 3.5Å; L192-L247 HydrophobicContact CD1-CG 4.42Å
193	L	95.4	Very high	95.4	Very high	22 Å²	22	17.1 Å²	17.1	12%	0.115	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	149.1	177.4	-54.6	178.5	0	0	0	110.5	I143 G146 E147 L200 K201 T203	I143-L193 HydrophobicContact CB-CB 3.88Å; I143-L193 HydrophobicContact CB-CD1 3.83Å; I143-L193 HydrophobicContact CB-CG 4.5Å; I143-L193 HydrophobicContact CG1-CB 4.32Å; I143-L193 HydrophobicContact CG1-CD1 4.01Å; I143-L193 HydrophobicContact CG2-CB 3.6Å; I143-L193 HydrophobicContact CG2-CD1 4.5Å; G146-L193 CarbonylContact O-C 3.54Å; G146-L193 VanDerWaalsContact O-CA 3.3Å; G146-L193 WeakPolarHBondContact O-CA 3.42Å; E147-L193 HydrophobicContact CB-CD2 4.44Å; E147-L193 HydrophobicContact CG-CD2 3.74Å; L193-L200 CarbonylContact O-C 3.41Å; L193-L200 WeakPolarHBondContact O-CA 3.49Å; L193-K201 HydrophobicContact CB-CB 4.36Å; L193-K201 PolarHBondContact N-O 2.87Å; L193-K201 PolarHBondContact O-N 3.01Å; L193-T203 HydrophobicContact CD1-CG2 3.93Å; L193-T203 HydrophobicContact CD2-CG2 4.48Å; L193-T203 HydrophobicContact CG-CG2 3.87Å
194	I	93.3	Very high	95.2	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	125.7	175.4	-55.5	-177.5	0	0	0	108.4	I143 G145 G146 Y166 Y199 A347 P350	I143-I194 WeakPolarHBondContact CG2-O 3.47Å; G145-I194 CarbonylContact C-O 3.45Å; G145-I194 WeakPolarHBondContact CA-O 3.37Å; G145-I194 PolarHBondContact N-O 3.49Å; G146-I194 PolarHBondContact O-N 3.35Å; Y166-I194 HydrophobicContact CE1-CD1 4.23Å; Y166-I194 HydrophobicContact CE1-CG1 4.46Å; I194-Y199 CarbonylContact C-O 3.55Å; I194-Y199 WeakPolarHBondContact CA-O 3.4Å; I194-A347 WeakPolarHBondContact CD1-O 3.37Å; I194-P350 HydrophobicContact CB-CG 4.24Å; I194-P350 HydrophobicContact CG2-CG 3.86Å
195	D	91.4	Very high	95.1	Very high	14 Å²	14	20 Å²	20	8%	0.075	11%	0.109	C	C	.	.			trans	-79.2	170.3	177	74.6	26.2	0	0	0	112	I143 T197 G198 Y199 K328	I143-D195 HydrophobicContact CG2-CB 4.08Å; D195-T197 PolarHBondContact O-N 3.41Å; D195-T197 VanDerWaalsContact O-N 3.08Å; D195-T197 VanDerWaalsContact OD1-CA 3.3Å; D195-T197 WeakPolarHBondContact OD1-CA 3.31Å; D195-T197 WeakPolarHBondContact OD1-CB 3.28Å; D195-T197 PolarHBondContact OD1-N 2.89Å; D195-T197 PolarHBondContact OD1-OG1 2.97Å; D195-T197 PolarHBondContact OD2-OG1 3.42Å; D195-G198 PolarHBondContact O-N 3.43Å; D195-G198 PolarHBondContact OD1-N 3.22Å; D195-Y199 PolarHBondContact N-O 2.86Å; D195-Y199 PolarHBondContact OD1-N 3.05Å; D195-Y199 WeakPolarHBondContact OD2-CB 3.35Å; D195-K328 IonicContact OD2-NZ 3.33Å; D195-K328 PolarHBondContact OD2-NZ 3.48Å
196	S	86.9	Confident	94.9	Very high	66 Å²	66	18.9 Å²	18.9	46%	0.462	11%	0.106	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-14.8	-179.4	58.2	0	0	0	0	114.1
197	T	88.4	Confident	94.8	Very high	66 Å²	66	22 Å²	22	41%	0.405	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-5.7	175.2	72.7	0	0	0	0	113	D195 P332 Y349	D195-T197 PolarHBondContact O-N 3.41Å; D195-T197 VanDerWaalsContact O-N 3.08Å; D195-T197 VanDerWaalsContact OD1-CA 3.3Å; D195-T197 WeakPolarHBondContact OD1-CA 3.31Å; D195-T197 WeakPolarHBondContact OD1-CB 3.28Å; D195-T197 PolarHBondContact OD1-N 2.89Å; D195-T197 PolarHBondContact OD1-OG1 2.97Å; D195-T197 PolarHBondContact OD2-OG1 3.42Å; T197-P332 WeakPolarHBondContact O-CG 3.26Å; T197-Y349 WeakPolarHBondContact O-CE1 3.09Å
198	G	90.3	Very high	94.7	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.119	C	C	.	.	S	Bend	trans	90.9	2.4	-178.6	0	0	0	0	0	115.7	F165 D195 L348	F165-G198 WeakPolarHBondContact CE1-O 3.48Å; D195-G198 PolarHBondContact O-N 3.43Å; D195-G198 PolarHBondContact OD1-N 3.22Å; G198-L348 WeakPolarHBondContact CA-O 3.41Å
199	Y	94.1	Very high	94.7	Very high	6 Å²	6	24.1 Å²	24.1	2%	0.024	13%	0.129	C	C	.	.			trans	-84.2	155	177.2	-83	-97.1	0	0	0	110.9	F122 F165 Q169 I194 D195 K328 I330	F122-Y199 HydrophobicContact CD1-CD1 4.29Å; F122-Y199 AromaticContact CE1-CD1 3.58Å; F122-Y199 HydrophobicContact CE1-CD1 3.58Å; F122-Y199 HydrophobicContact CE1-CE1 4.06Å; F122-Y199 HydrophobicContact CZ-CD1 4.39Å; F122-Y199 HydrophobicContact CZ-CE1 4.48Å; F165-Y199 HydrophobicContact CE2-CE1 4.05Å; F165-Y199 AromaticContact CE2-CZ 3.99Å; F165-Y199 HydrophobicContact CZ-CD1 4.05Å; F165-Y199 HydrophobicContact CZ-CD2 4.27Å; F165-Y199 AromaticContact CZ-CE1 3.8Å; F165-Y199 HydrophobicContact CZ-CE1 3.8Å; F165-Y199 HydrophobicContact CZ-CE2 4.01Å; F165-Y199 HydrophobicContact CZ-CG 4.29Å; F165-Y199 AromaticContact CZ-CZ 3.77Å; Q169-Y199 HydrophobicContact CG-CD1 4.44Å; I194-Y199 CarbonylContact C-O 3.55Å; I194-Y199 WeakPolarHBondContact CA-O 3.4Å; D195-Y199 PolarHBondContact N-O 2.86Å; D195-Y199 PolarHBondContact OD1-N 3.05Å; D195-Y199 WeakPolarHBondContact OD2-CB 3.35Å; Y199-K328 HydrophobicContact CD1-CB 4.43Å; Y199-K328 HydrophobicContact CD1-CD 4.23Å; Y199-K328 HydrophobicContact CD1-CG 3.84Å; Y199-K328 HydrophobicContact CD2-CB 4.41Å; Y199-K328 HydrophobicContact CD2-CD 4.34Å; Y199-K328 HydrophobicContact CD2-CG 4.4Å; Y199-K328 HydrophobicContact CE1-CB 4.03Å; Y199-K328 HydrophobicContact CE1-CG 3.83Å; Y199-K328 HydrophobicContact CE2-CB 4.02Å; Y199-K328 HydrophobicContact CE2-CG 4.41Å; Y199-K328 HydrophobicContact CG-CD 4.05Å; Y199-K328 HydrophobicContact CG-CG 4.12Å; Y199-K328 VanDerWaalsContact CZ-CA 3.45Å; Y199-K328 VanDerWaalsContact OH-C 3.23Å; Y199-K328 VanDerWaalsContact OH-CA 3.3Å; Y199-K328 WeakPolarHBondContact OH-CA 3.36Å; Y199-I330 WeakPolarHBondContact CE2-O 3.47Å; Y199-I330 PolarHBondContact OH-N 2.69Å; Y199-I330 VanDerWaalsContact OH-N 3.13Å; Y199-I330 PolarHBondContact OH-O 3.27Å
200	L	95.6	Very high	94.7	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	145	-175.7	175.5	142	0	0	0	111.4	F122 M148 Y166 I170 L192 L193 I202	F122-L200 WeakPolarHBondContact CA-O 3.29Å; F122-L200 HydrophobicContact CB-CD2 4.48Å; M148-L200 HydrophobicContact CE-CD1 3.5Å; M148-L200 VanDerWaalsContact CE-CD1 3.5Å; Y166-L200 HydrophobicContact CD1-CB 4.04Å; Y166-L200 HydrophobicContact CD1-CD1 4.02Å; I170-L200 HydrophobicContact CD1-CD1 4.17Å; I170-L200 HydrophobicContact CG1-CD1 4.22Å; I170-L200 HydrophobicContact CG1-CD2 3.99Å; L192-L200 HydrophobicContact CB-CD1 3.93Å; L192-L200 HydrophobicContact CB-CG 4.48Å; L192-L200 HydrophobicContact CD1-CD1 4.09Å; L192-L200 HydrophobicContact CD2-CD1 3.95Å; L192-L200 HydrophobicContact CD2-CD2 4.08Å; L192-L200 HydrophobicContact CD2-CG 4.26Å; L192-L200 HydrophobicContact CG-CD1 4.19Å; L193-L200 CarbonylContact O-C 3.41Å; L193-L200 WeakPolarHBondContact O-CA 3.49Å; L200-I202 HydrophobicContact CD2-CD1 4.41Å; L200-I202 HydrophobicContact CD2-CG1 3.59Å
201	K	97.6	Very high	94.7	Very high	13 Å²	13	25.2 Å²	25.2	6%	0.057	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	110.6	171.3	-73.2	-82.1	-176.7	164.7	0	108.6	P121 F122 L123 E141 I143 L193	P121-K201 VanDerWaalsContact O-CE 3.24Å; P121-K201 WeakPolarHBondContact O-CE 3.48Å; P121-K201 PolarHBondContact O-NZ 3.02Å; F122-K201 CarbonylContact O-C 3.59Å; F122-K201 WeakPolarHBondContact O-CA 3.26Å; L123-K201 WeakPolarHBondContact O-CD 3.39Å; L123-K201 PolarHBondContact O-NZ 2.75Å; E141-K201 IonicContact OE1-NZ 2.64Å; E141-K201 PolarHBondContact OE1-NZ 2.89Å; E141-K201 WeakPolarHBondContact OE2-CE 3.2Å; E141-K201 IonicContact OE2-NZ 3.51Å; E141-K201 PolarHBondContact OE2-NZ 3.07Å; I143-K201 HydrophobicContact CD1-CB 4.2Å; I143-K201 HydrophobicContact CD1-CD 4.18Å; I143-K201 HydrophobicContact CD1-CG 3.69Å; I143-K201 HydrophobicContact CG1-CB 3.96Å; I143-K201 HydrophobicContact CG1-CG 4.03Å; L193-K201 HydrophobicContact CB-CB 4.36Å; L193-K201 PolarHBondContact N-O 2.87Å; L193-K201 PolarHBondContact O-N 3.01Å
202	I	98.5	Very high	94.5	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	128	170.2	-52.6	-177.7	0	0	0	107.6	F122 L123 V124 I170 A173 F174 Y184 L192 L200	F122-I202 PolarHBondContact O-N 3.11Å; L123-I202 HydrophobicContact CD2-CB 3.71Å; L123-I202 HydrophobicContact CD2-CD1 3.84Å; L123-I202 HydrophobicContact CD2-CG1 4.02Å; L123-I202 HydrophobicContact CD2-CG2 4.42Å; V124-I202 PolarHBondContact N-O 3.3Å; I170-I202 HydrophobicContact CG1-CD1 4.5Å; A173-I202 HydrophobicContact CB-CD1 3.65Å; F174-I202 HydrophobicContact CE1-CD1 4.36Å; Y184-I202 HydrophobicContact CD2-CG2 4.3Å; Y184-I202 HydrophobicContact CE1-CG2 3.91Å; Y184-I202 HydrophobicContact CE2-CG2 3.63Å; Y184-I202 VanDerWaalsContact CZ-CG2 3.43Å; L192-I202 HydrophobicContact CD2-CB 4.32Å; L192-I202 HydrophobicContact CD2-CD1 4.47Å; L192-I202 HydrophobicContact CD2-CG1 3.71Å; L192-I202 HydrophobicContact CD2-CG2 4.41Å; L200-I202 HydrophobicContact CD2-CD1 4.41Å; L200-I202 HydrophobicContact CD2-CG1 3.59Å
203	T	96.4	Very high	94.3	Very high	31 Å²	31	35 Å²	35	19%	0.19	19%	0.187	C	C	.	.			trans	-119.5	-174.9	178.1	-168.5	0	0	0	0	110.4	Y184 N191 L193	Y184-T203 PolarHBondContact OH-O 3.23Å; N191-T203 PolarHBondContact O-N 3Å; L193-T203 HydrophobicContact CD1-CG2 3.93Å; L193-T203 HydrophobicContact CD2-CG2 4.48Å; L193-T203 HydrophobicContact CG-CG2 3.87Å
204	D	93.8	Very high	94.3	Very high	60 Å²	60	41.9 Å²	41.9	32%	0.321	21%	0.211	S	C	.	.			trans	51.5	82.8	176.1	-162.8	-1.4	0	0	0	115.1	Y184 G206	Y184-D204 WeakPolarHBondContact CE2-O 3.14Å; D204-G206 VanDerWaalsContact C-N 3.29Å; D204-G206 PolarHBondContact O-N 2.98Å; D204-G206 PolarHBondContact OD1-N 3.45Å
205	F	96.5	Very high	94.5	Very high	1 Å²	1	42.4 Å²	42.4	0%	0.004	22%	0.215	C	C	.	.			trans	-90.4	15.3	179.3	-79	-101.5	0	0	0	113	E111 I114 L115 I118 L123 V124 L177 Y184 F207 A208	E111-F205 HydrophobicContact CG-CB 4.24Å; I114-F205 HydrophobicContact CG2-CB 4.48Å; I114-F205 HydrophobicContact CG2-CD1 3.74Å; I114-F205 HydrophobicContact CG2-CE1 4.38Å; I114-F205 HydrophobicContact CG2-CG 4.38Å; L115-F205 HydrophobicContact CD2-CB 4.2Å; L115-F205 HydrophobicContact CD2-CD2 3.63Å; L115-F205 HydrophobicContact CD2-CE2 4.26Å; L115-F205 HydrophobicContact CD2-CG 4.05Å; L115-F205 HydrophobicContact CG-CB 4.28Å; I118-F205 HydrophobicContact CD1-CD1 4.08Å; I118-F205 HydrophobicContact CD1-CD2 4.37Å; I118-F205 HydrophobicContact CD1-CE1 3.53Å; I118-F205 HydrophobicContact CD1-CE2 3.85Å; I118-F205 HydrophobicContact CD1-CG 4.46Å; I118-F205 HydrophobicContact CD1-CZ 3.38Å; L123-F205 HydrophobicContact CB-CZ 4.31Å; L123-F205 HydrophobicContact CD1-CZ 4.14Å; L123-F205 HydrophobicContact CD2-CZ 3.88Å; L123-F205 HydrophobicContact CG-CZ 4.31Å; V124-F205 HydrophobicContact CG1-CE2 4.4Å; L177-F205 HydrophobicContact CD1-CE1 4.03Å; L177-F205 HydrophobicContact CD2-CE1 4.03Å; Y184-F205 HydrophobicContact CD2-CD1 4.2Å; Y184-F205 HydrophobicContact CD2-CE1 4.1Å; Y184-F205 HydrophobicContact CE2-CD1 4.45Å; Y184-F205 HydrophobicContact CE2-CE1 4.46Å; F205-F207 VanDerWaalsContact C-N 3.32Å; F205-F207 PolarHBondContact O-N 3.5Å; F205-A208 HydrophobicContact CB-CB 4.02Å; F205-A208 HydrophobicContact CD1-CB 3.61Å; F205-A208 HydrophobicContact CG-CB 4.27Å; F205-A208 VanDerWaalsContact O-CB 3.28Å; F205-A208 WeakPolarHBondContact O-CB 3.32Å; F205-A208 PolarHBondContact O-N 3.35Å
206	G	94.1	Very high	94.8	Very high	3 Å²	3	49.9 Å²	49.9	3%	0.031	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-48.1	-179.1	0	0	0	0	0	112.1	H107 D204 A208	H107-G206 PolarHBondContact CE1-O 3.16Å; H107-G206 PolarHBondContact ND1-O 3.01Å; H107-G206 PolarHBondContact NE2-O 2.94Å; D204-G206 VanDerWaalsContact C-N 3.29Å; D204-G206 PolarHBondContact O-N 2.98Å; D204-G206 PolarHBondContact OD1-N 3.45Å; G206-A208 VanDerWaalsContact C-N 3.3Å; G206-A208 PolarHBondContact O-N 3.27Å
207	F	95.3	Very high	95.1	Very high	69 Å²	69	49.9 Å²	49.9	30%	0.303	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-3.1	176.6	-62	-35.5	0	0	0	114.2	H107 Y184 R185 D186 F205 C219	H107-F207 AromaticContact CE1-CD1 3.84Å; Y184-F207 CarbonylContact O-C 3.6Å; R185-F207 HydrophobicContact CB-CB 4.3Å; R185-F207 PolarHBondContact NE-O 2.9Å; R185-F207 PolarHBondContact NH2-O 3.42Å; D186-F207 HydrophobicContact CB-CB 4.22Å; D186-F207 HydrophobicContact CB-CD2 3.68Å; D186-F207 HydrophobicContact CB-CG 4.44Å; D186-F207 VanDerWaalsContact CG-CD2 3.48Å; F205-F207 VanDerWaalsContact C-N 3.32Å; F205-F207 PolarHBondContact O-N 3.5Å; F207-C219 HydrophobicContact CD1-CB 3.89Å; F207-C219 HydrophobicContact CE1-CB 4.12Å; F207-C219 HydrophobicContact CG-CB 4.15Å
208	A	97.8	Very high	95.3	Very high	2 Å²	2	52.1 Å²	52.1	2%	0.017	25%	0.248	C	C	.	.			trans	-68.2	144.1	177.5	0	0	0	0	0	111.2	N110 I114 I183 Y184 F205 G206	N110-A208 PolarHBondContact ND2-O 2.73Å; I114-A208 HydrophobicContact CD1-CB 3.82Å; I114-A208 WeakPolarHBondContact CD1-O 3.44Å; I183-A208 CarbonylContact O-C 3.53Å; I183-A208 WeakPolarHBondContact O-CA 3.3Å; Y184-A208 HydrophobicContact CD2-CB 4.49Å; Y184-A208 PolarHBondContact O-N 3.08Å; F205-A208 HydrophobicContact CB-CB 4.02Å; F205-A208 HydrophobicContact CD1-CB 3.61Å; F205-A208 HydrophobicContact CG-CB 4.27Å; F205-A208 VanDerWaalsContact O-CB 3.28Å; F205-A208 WeakPolarHBondContact O-CB 3.32Å; F205-A208 PolarHBondContact O-N 3.35Å; G206-A208 VanDerWaalsContact C-N 3.3Å; G206-A208 PolarHBondContact O-N 3.27Å
209	K	96.7	Very high	95.4	Very high	78 Å²	78	52.9 Å²	52.9	34%	0.339	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	144	-179.2	-176	169.2	-178	166.9	0	111.6	L182 I183 V211	L182-K209 WeakPolarHBondContact CA-O 3.32Å; I183-K209 HydrophobicContact CG1-CB 4.49Å; I183-K209 WeakPolarHBondContact CG1-O 3.3Å; I183-K209 PolarHBondContact N-O 2.92Å; I183-K209 PolarHBondContact O-N 3.45Å; K209-V211 HydrophobicContact CB-CG2 4.33Å; K209-V211 HydrophobicContact CD-CG2 4.37Å; K209-V211 HydrophobicContact CG-CG2 4Å
210	R	96.5	Very high	95.3	Very high	76 Å²	76	53.6 Å²	53.6	29%	0.287	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	121	170	-160.2	173.6	-179	-172.6	-1.2	110.8	D181 L182	D181-R210 HydrophobicContact CB-CG 4.01Å; D181-R210 CarbonylContact O-C 3.53Å; D181-R210 VanDerWaalsContact O-CA 3.29Å; D181-R210 WeakPolarHBondContact O-CA 3.48Å; L182-R210 HydrophobicContact CD2-CB 3.87Å; L182-R210 HydrophobicContact CD2-CG 4.29Å
211	V	96.3	Very high	95.3	Very high	10 Å²	10	54.8 Å²	54.8	6%	0.061	27%	0.27	C	S	.	.			trans	-136.4	105.1	-175.3	-177.8	0	0	0	0	110.5	D181 I183 K209 T215	D181-V211 PolarHBondContact O-N 2.9Å; I183-V211 HydrophobicContact CD1-CB 4.13Å; I183-V211 HydrophobicContact CD1-CG2 3.51Å; I183-V211 HydrophobicContact CG1-CB 4.41Å; I183-V211 HydrophobicContact CG1-CG2 3.85Å; K209-V211 HydrophobicContact CB-CG2 4.33Å; K209-V211 HydrophobicContact CD-CG2 4.37Å; K209-V211 HydrophobicContact CG-CG2 4Å; V211-T215 HydrophobicContact CG2-CG2 4.13Å
212	K	91.8	Very high	95.1	Very high	170 Å²	170	55.9 Å²	55.9	74%	0.739	28%	0.278	S	S	*	.	S	Bend	trans	-78.3	-24.9	173.6	-66.6	-175.7	176.7	-178.9	0	113.5	D181	D181-K212 HydrophobicContact CB-CG 4.49Å
213	G	93.9	Very high	95.1	Very high	48 Å²	48	58.5 Å²	58.5	50%	0.495	29%	0.29	S	S	.	.	S	Bend	trans	-127.2	-108.6	-177.1	0	0	0	0	0	111.6
214	R	95.9	Very high	95.1	Very high	167 Å²	167	57.8 Å²	57.8	63%	0.63	28%	0.284	S	S	*	.			trans	-123.1	156.3	176.2	-70.2	-178.1	177.2	-178.1	0.5	111.4	W216 Y235	R214-W216 HydrophobicContact CB-CH2 3.82Å; R214-W216 HydrophobicContact CB-CZ2 4.34Å; R214-W216 HydrophobicContact CB-CZ3 4.02Å; R214-W216 WeakPolarHBondContact O-CZ3 3.46Å; R214-Y235 CarbonylContact C-O 3.53Å; R214-Y235 VanDerWaalsContact CA-O 3.25Å; R214-Y235 WeakPolarHBondContact CA-O 3.42Å
215	T	96.5	Very high	95.3	Very high	11 Å²	11	55.2 Å²	55.2	7%	0.067	27%	0.27	C	S	.	.	B	Isolated β-bridge	trans	-132	163.7	169.1	-165.1	0	0	0	0	110.1	I183 V211 G234 Y235	I183-T215 HydrophobicContact CD1-CG2 3.95Å; V211-T215 HydrophobicContact CG2-CG2 4.13Å; T215-G234 WeakPolarHBondContact O-CA 3.35Å; T215-Y235 HydrophobicContact CG2-CD1 4.41Å; T215-Y235 HydrophobicContact CG2-CD2 3.94Å; T215-Y235 HydrophobicContact CG2-CE1 3.92Å; T215-Y235 HydrophobicContact CG2-CE2 3.36Å; T215-Y235 HydrophobicContact CG2-CG 4.43Å; T215-Y235 PolarHBondContact N-O 2.8Å; T215-Y235 WeakPolarHBondContact O-CD1 3.49Å; T215-Y235 PolarHBondContact O-N 2.76Å
216	W	97.1	Very high	95.4	Very high	171 Å²	171	55.1 Å²	55.1	65%	0.648	27%	0.27	S	S	*	.			trans	-128.3	0.8	-174.9	-71.4	-101	0	0	0	112.8	R214 L218	R214-W216 HydrophobicContact CB-CH2 3.82Å; R214-W216 HydrophobicContact CB-CZ2 4.34Å; R214-W216 HydrophobicContact CB-CZ3 4.02Å; R214-W216 WeakPolarHBondContact O-CZ3 3.46Å; W216-L218 PolarHBondContact O-N 2.93Å
217	T	93.8	Very high	95.6	Very high	66 Å²	66	55.1 Å²	55.1	41%	0.405	27%	0.269	S	S	.	.			trans	-65	120.3	-178	-53	0	0	0	0	110.1	C219 Y235	T217-C219 HydrophobicContact CG2-CB 4.48Å; T217-C219 PolarHBondContact O-N 3.29Å; T217-Y235 WeakPolarHBondContact O-CE1 3.24Å; T217-Y235 PolarHBondContact O-OH 3.44Å
218	L	93.6	Very high	95.7	Very high	112 Å²	112	52.2 Å²	52.2	59%	0.586	26%	0.257	S	S	*	.			trans	-77.5	109.6	171	177	62.9	0	0	0	109.2	W216 L225 I229	W216-L218 PolarHBondContact O-N 2.93Å; L218-L225 HydrophobicContact CD1-CD1 4.03Å; L218-I229 HydrophobicContact CD1-CG2 3.47Å; L218-I229 VanDerWaalsContact CD1-CG2 3.47Å
219	C	92.5	Very high	95.7	Very high	17 Å²	17	52.6 Å²	52.6	12%	0.115	26%	0.258	C	S	.	.			trans	-155	161.3	176	61.5	0	0	0	0	110.3	R185 F207 T217 L225	R185-C219 PolarHBondContact NH1-SG 3.08Å; R185-C219 VanDerWaalsContact NH1-SG 3.45Å; F207-C219 HydrophobicContact CD1-CB 3.89Å; F207-C219 HydrophobicContact CE1-CB 4.12Å; F207-C219 HydrophobicContact CG-CB 4.15Å; T217-C219 HydrophobicContact CG2-CB 4.48Å; T217-C219 PolarHBondContact O-N 3.29Å; C219-L225 WeakPolarHBondContact O-CD2 3.26Å
220	G	92.1	Very high	95.7	Very high	21 Å²	21	50.5 Å²	50.5	22%	0.216	25%	0.251	C	S	.	.	S	Bend	trans	113.5	-176.6	-177.3	0	0	0	0	0	112.1
221	T	93.6	Very high	95.7	Very high	25 Å²	25	50.6 Å²	50.6	15%	0.153	26%	0.256	C	S	.	.			trans	-94.1	129.2	-174.5	-57.9	0	0	0	0	110.3	D186 K188 E223 Y224 L225	D186-T221 PolarHBondContact OD1-N 2.93Å; D186-T221 PolarHBondContact OD1-OG1 3.32Å; K188-T221 HydrophobicContact CD-CG2 4.3Å; K188-T221 WeakPolarHBondContact CD-OG1 3.41Å; K188-T221 PolarHBondContact NZ-OG1 3.37Å; T221-E223 VanDerWaalsContact C-N 3.32Å; T221-E223 PolarHBondContact O-N 2.97Å; T221-E223 VanDerWaalsContact O-N 3.11Å; T221-Y224 HydrophobicContact CG2-CD2 4.24Å; T221-Y224 WeakPolarHBondContact O-CA 3.49Å; T221-Y224 PolarHBondContact O-N 2.97Å; T221-L225 PolarHBondContact O-N 3.4Å
222	P	95.2	Very high	95.6	Very high	35 Å²	35	54.6 Å²	54.6	23%	0.227	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-48.1	-44	-167.4	-32.6	37.1	0	0	0	116	Y224 L225 I266 Y267 I270	P222-Y224 PolarHBondContact O-N 3.28Å; P222-L225 PolarHBondContact O-N 2.91Å; P222-I266 HydrophobicContact CB-CD1 4.4Å; P222-Y267 HydrophobicContact CB-CE1 3.86Å; P222-I270 VanDerWaalsContact O-CD1 3.27Å; P222-I270 WeakPolarHBondContact O-CD1 3.35Å
223	E	96.9	Very high	95.9	Very high	56 Å²	56	52.5 Å²	52.5	26%	0.262	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-65.7	-24.2	-179	-64.2	83.9	169.8	0	0	113	T221 V246 P256 I266	T221-E223 VanDerWaalsContact C-N 3.32Å; T221-E223 PolarHBondContact O-N 2.97Å; T221-E223 VanDerWaalsContact O-N 3.11Å; E223-V246 WeakPolarHBondContact O-CG1 3.3Å; E223-P256 HydrophobicContact CB-CB 4.27Å; E223-P256 HydrophobicContact CB-CG 4.4Å; E223-P256 HydrophobicContact CG-CG 4.13Å; E223-I266 HydrophobicContact CG-CD1 4.21Å; E223-I266 HydrophobicContact CG-CG2 4.5Å
224	Y	98.2	Very high	96	Very high	15 Å²	15	50.7 Å²	50.7	6%	0.059	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-102.4	-8.2	-175.1	-73.4	-93	0	0	0	113.3	L187 K188 P189 T221 P222 A226 A243 V246 L247 E250	L187-Y224 WeakPolarHBondContact O-CD1 3.4Å; L187-Y224 WeakPolarHBondContact O-CE1 3.34Å; K188-Y224 HydrophobicContact CB-CD2 4.14Å; K188-Y224 HydrophobicContact CB-CE2 3.99Å; P189-Y224 WeakPolarHBondContact CD-OH 3.23Å; T221-Y224 HydrophobicContact CG2-CD2 4.24Å; T221-Y224 WeakPolarHBondContact O-CA 3.49Å; T221-Y224 PolarHBondContact O-N 2.97Å; P222-Y224 PolarHBondContact O-N 3.28Å; Y224-A226 PolarHBondContact O-N 2.9Å; Y224-A243 HydrophobicContact CD1-CB 4.24Å; Y224-V246 HydrophobicContact CD1-CB 3.76Å; Y224-V246 HydrophobicContact CD1-CG1 3.55Å; Y224-V246 HydrophobicContact CD2-CG1 4.25Å; Y224-V246 HydrophobicContact CE1-CB 3.87Å; Y224-V246 HydrophobicContact CE1-CG1 3.49Å; Y224-V246 VanDerWaalsContact CE1-CG1 3.49Å; Y224-V246 HydrophobicContact CE2-CG1 4.16Å; Y224-V246 HydrophobicContact CG-CB 4.47Å; Y224-V246 HydrophobicContact CG-CG1 3.95Å; Y224-L247 HydrophobicContact CE1-CB 3.98Å; Y224-L247 HydrophobicContact CE1-CD1 4.37Å; Y224-E250 PolarHBondContact OH-OE2 2.74Å
225	L	97.8	Very high	96	Very high	6 Å²	6	43 Å²	43	3%	0.031	23%	0.228	C	C	.	.			trans	-65.1	134.3	179.2	-66.1	-175.4	0	0	0	111.3	L218 C219 T221 P222 I229 I230 W242 Y267	L218-L225 HydrophobicContact CD1-CD1 4.03Å; C219-L225 WeakPolarHBondContact O-CD2 3.26Å; T221-L225 PolarHBondContact O-N 3.4Å; P222-L225 PolarHBondContact O-N 2.91Å; L225-I229 HydrophobicContact CD2-CD1 4.32Å; L225-I229 HydrophobicContact CD2-CG2 4.3Å; L225-I230 HydrophobicContact CB-CD1 4.13Å; L225-I230 HydrophobicContact CB-CG1 4.06Å; L225-I230 HydrophobicContact CD1-CG1 4.35Å; L225-W242 PolarHBondContact O-NE1 3.3Å; L225-Y267 HydrophobicContact CD1-CE1 3.89Å
226	A	98.1	Very high	96	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.238	C	C	.	.			trans	-74.4	150.4	173.1	0	0	0	0	0	111.2	Y224 E228 I229 I230 V239 W242	Y224-A226 PolarHBondContact O-N 2.9Å; A226-E228 HydrophobicContact CB-CG 4.38Å; A226-E228 WeakPolarHBondContact CB-OE2 3.36Å; A226-E228 PolarHBondContact O-N 2.93Å; A226-I229 HydrophobicContact CB-CD1 4.43Å; A226-I229 HydrophobicContact CB-CG1 4.4Å; A226-I229 WeakPolarHBondContact O-CB 3.38Å; A226-I229 PolarHBondContact O-N 3.33Å; A226-I230 PolarHBondContact O-N 3.22Å; A226-V239 HydrophobicContact CB-CB 3.98Å; A226-V239 HydrophobicContact CB-CG1 3.89Å; A226-W242 HydrophobicContact CB-CB 3.89Å; A226-W242 HydrophobicContact CB-CD2 4.31Å; A226-W242 HydrophobicContact CB-CG 3.77Å
227	P	97.9	Very high	96	Very high	2 Å²	2	39 Å²	39	1%	0.013	22%	0.217	C	C	.	.	H	α-helix	trans	-54.4	-38.1	-179.4	-24.8	30.6	0	0	0	113.7	I229 I230 L231 W242 I270 V295	P227-I229 VanDerWaalsContact C-N 3.3Å; P227-I229 PolarHBondContact O-N 2.93Å; P227-I230 PolarHBondContact O-N 3.03Å; P227-L231 WeakPolarHBondContact O-CB 3.47Å; P227-L231 WeakPolarHBondContact O-CG 3.5Å; P227-L231 PolarHBondContact O-N 2.88Å; P227-W242 HydrophobicContact CG-CE3 4.13Å; P227-W242 HydrophobicContact CG-CH2 3.5Å; P227-W242 HydrophobicContact CG-CZ2 3.95Å; P227-W242 HydrophobicContact CG-CZ3 3.59Å; P227-I270 HydrophobicContact CB-CG2 4.26Å; P227-I270 HydrophobicContact CG-CG2 3.74Å; P227-V295 HydrophobicContact CB-CG1 4.2Å; P227-V295 HydrophobicContact CG-CG1 4.38Å; P227-V295 HydrophobicContact CG-CG2 4.06Å
228	E	97.6	Very high	96.2	Very high	8 Å²	8	36 Å²	36	4%	0.037	20%	0.198	C	C	.	.	H	α-helix	trans	-66.2	-29.4	179.1	62.8	-88.8	-153.1	0	0	113.5	A226 S232 K233 V239 R300	A226-E228 HydrophobicContact CB-CG 4.38Å; A226-E228 WeakPolarHBondContact CB-OE2 3.36Å; A226-E228 PolarHBondContact O-N 2.93Å; E228-S232 PolarHBondContact O-N 3.02Å; E228-K233 HydrophobicContact CB-CB 4.15Å; E228-K233 WeakPolarHBondContact O-CB 3.32Å; E228-K233 PolarHBondContact O-N 3.05Å; E228-V239 HydrophobicContact CG-CG1 4.12Å; E228-V239 WeakPolarHBondContact OE1-CG1 3.39Å; E228-R300 IonicContact OE1-CZ 3.93Å; E228-R300 IonicContact OE1-NH1 3.52Å; E228-R300 PolarHBondContact OE1-NH1 2.91Å; E228-R300 IonicContact OE1-NH2 3.51Å; E228-R300 IonicContact OE2-CZ 3.08Å; E228-R300 IonicContact OE2-NH1 2.82Å; E228-R300 PolarHBondContact OE2-NH1 3.27Å; E228-R300 IonicContact OE2-NH2 3.59Å; E228-R300 PolarHBondContact OE2-NH2 2.89Å
229	I	97.6	Very high	96.5	Very high	11 Å²	11	30.9 Å²	30.9	6%	0.056	17%	0.172	C	C	.	.	H	α-helix	trans	-69.2	-48.8	174.1	-60.8	178.9	0	0	0	109.2	L218 L225 A226 P227 L231 S232 Y235 V239	L218-I229 HydrophobicContact CD1-CG2 3.47Å; L218-I229 VanDerWaalsContact CD1-CG2 3.47Å; L225-I229 HydrophobicContact CD2-CD1 4.32Å; L225-I229 HydrophobicContact CD2-CG2 4.3Å; A226-I229 HydrophobicContact CB-CD1 4.43Å; A226-I229 HydrophobicContact CB-CG1 4.4Å; A226-I229 WeakPolarHBondContact O-CB 3.38Å; A226-I229 PolarHBondContact O-N 3.33Å; P227-I229 VanDerWaalsContact C-N 3.3Å; P227-I229 PolarHBondContact O-N 2.93Å; I229-L231 VanDerWaalsContact C-N 3.31Å; I229-L231 PolarHBondContact O-N 3.44Å; I229-S232 PolarHBondContact O-N 2.95Å; I229-Y235 HydrophobicContact CD1-CD2 4.44Å; I229-Y235 HydrophobicContact CD1-CE1 4.47Å; I229-Y235 HydrophobicContact CD1-CE2 4.31Å; I229-Y235 HydrophobicContact CG1-CD1 3.74Å; I229-Y235 HydrophobicContact CG1-CD2 4.24Å; I229-Y235 HydrophobicContact CG1-CE1 3.92Å; I229-Y235 HydrophobicContact CG1-CE2 4.4Å; I229-Y235 HydrophobicContact CG1-CG 3.9Å; I229-Y235 HydrophobicContact CG2-CE1 4.43Å; I229-V239 HydrophobicContact CD1-CB 3.9Å; I229-V239 HydrophobicContact CD1-CG1 3.76Å; I229-V239 HydrophobicContact CD1-CG2 4.28Å; I229-V239 HydrophobicContact CG1-CB 4.49Å; I229-V239 HydrophobicContact CG1-CG1 3.81Å
230	I	96.8	Very high	96.8	Very high	34 Å²	34	30.1 Å²	30.1	17%	0.174	17%	0.167	C	C	.	.	H	α-helix	trans	-60.6	-42.4	180	-65.7	164.5	0	0	0	110.8	L225 A226 P227 S232 Y267 I270 V271	L225-I230 HydrophobicContact CB-CD1 4.13Å; L225-I230 HydrophobicContact CB-CG1 4.06Å; L225-I230 HydrophobicContact CD1-CG1 4.35Å; A226-I230 PolarHBondContact O-N 3.22Å; P227-I230 PolarHBondContact O-N 3.03Å; I230-S232 PolarHBondContact O-N 3.36Å; I230-S232 VanDerWaalsContact O-N 3.15Å; I230-Y267 HydrophobicContact CD1-CD1 3.71Å; I230-Y267 HydrophobicContact CD1-CE1 4.5Å; I230-Y267 HydrophobicContact CD1-CG 4.21Å; I230-Y267 HydrophobicContact CG1-CD1 3.94Å; I230-Y267 HydrophobicContact CG1-CE1 4.44Å; I230-Y267 HydrophobicContact CG1-CG 4.3Å; I230-Y267 HydrophobicContact CG2-CG 4.1Å; I230-I270 HydrophobicContact CD1-CB 3.8Å; I230-I270 HydrophobicContact CD1-CD1 3.8Å; I230-I270 HydrophobicContact CD1-CG1 4.41Å; I230-I270 HydrophobicContact CD1-CG2 3.48Å; I230-I270 VanDerWaalsContact CD1-CG2 3.48Å; I230-V271 HydrophobicContact CB-CG2 4.38Å; I230-V271 HydrophobicContact CG2-CG2 3.84Å
231	L	96.5	Very high	97.1	Very high	77 Å²	77	29.3 Å²	29.3	40%	0.403	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	9.5	177.6	-64.3	172.6	0	0	0	113.3	P227 I229 K233 V271	P227-L231 WeakPolarHBondContact O-CB 3.47Å; P227-L231 WeakPolarHBondContact O-CG 3.5Å; P227-L231 PolarHBondContact O-N 2.88Å; I229-L231 VanDerWaalsContact C-N 3.31Å; I229-L231 PolarHBondContact O-N 3.44Å; L231-K233 HydrophobicContact CB-CD 4.3Å; L231-K233 HydrophobicContact CB-CG 4.16Å; L231-K233 PolarHBondContact O-N 3.49Å; L231-K233 VanDerWaalsContact O-N 3.11Å; L231-V271 HydrophobicContact CD1-CG1 4.48Å; L231-V271 HydrophobicContact CD2-CG1 4.14Å; L231-V271 HydrophobicContact CD2-CG2 4.06Å; L231-V271 HydrophobicContact CG-CG2 4.12Å
232	S	95.1	Very high	97.3	Very high	95 Å²	95	28.1 Å²	28.1	66%	0.664	15%	0.15	S	C	*	.	T	Hydrogen-bonded Turn	trans	54	31.6	179.1	-59.1	0	0	0	0	113.7	E228 I229 I230	E228-S232 PolarHBondContact O-N 3.02Å; I229-S232 PolarHBondContact O-N 2.95Å; I230-S232 PolarHBondContact O-N 3.36Å; I230-S232 VanDerWaalsContact O-N 3.15Å
233	K	96.5	Very high	97.5	Very high	125 Å²	125	26.8 Å²	26.8	54%	0.543	14%	0.142	S	C	.	.			trans	-86.8	147.5	174.9	-63.3	178.3	-179.1	176.1	0	109.3	E228 L231 Y235	E228-K233 HydrophobicContact CB-CB 4.15Å; E228-K233 WeakPolarHBondContact O-CB 3.32Å; E228-K233 PolarHBondContact O-N 3.05Å; L231-K233 HydrophobicContact CB-CD 4.3Å; L231-K233 HydrophobicContact CB-CG 4.16Å; L231-K233 PolarHBondContact O-N 3.49Å; L231-K233 VanDerWaalsContact O-N 3.11Å; K233-Y235 PolarHBondContact O-N 3.4Å
234	G	96.3	Very high	97.6	Very high	11 Å²	11	24.1 Å²	24.1	11%	0.113	13%	0.129	C	C	.	.			trans	-61.9	125.6	173.3	0	0	0	0	0	110.3	T215	T215-G234 WeakPolarHBondContact O-CA 3.35Å
235	Y	97.5	Very high	97.6	Very high	5 Å²	5	23.4 Å²	23.4	2%	0.02	13%	0.126	C	C	.	.	B	Isolated β-bridge	trans	-124.3	169.2	-173.6	69	-95.1	0	0	0	112	I183 R185 R214 T215 T217 I229 K233 V239	I183-Y235 HydrophobicContact CD1-CE2 3.96Å; R185-Y235 WeakPolarHBondContact CD-OH 3.29Å; R185-Y235 PolarHBondContact NH1-OH 3.29Å; R214-Y235 CarbonylContact C-O 3.53Å; R214-Y235 VanDerWaalsContact CA-O 3.25Å; R214-Y235 WeakPolarHBondContact CA-O 3.42Å; T215-Y235 HydrophobicContact CG2-CD1 4.41Å; T215-Y235 HydrophobicContact CG2-CD2 3.94Å; T215-Y235 HydrophobicContact CG2-CE1 3.92Å; T215-Y235 HydrophobicContact CG2-CE2 3.36Å; T215-Y235 HydrophobicContact CG2-CG 4.43Å; T215-Y235 PolarHBondContact N-O 2.8Å; T215-Y235 WeakPolarHBondContact O-CD1 3.49Å; T215-Y235 PolarHBondContact O-N 2.76Å; T217-Y235 WeakPolarHBondContact O-CE1 3.24Å; T217-Y235 PolarHBondContact O-OH 3.44Å; I229-Y235 HydrophobicContact CD1-CD2 4.44Å; I229-Y235 HydrophobicContact CD1-CE1 4.47Å; I229-Y235 HydrophobicContact CD1-CE2 4.31Å; I229-Y235 HydrophobicContact CG1-CD1 3.74Å; I229-Y235 HydrophobicContact CG1-CD2 4.24Å; I229-Y235 HydrophobicContact CG1-CE1 3.92Å; I229-Y235 HydrophobicContact CG1-CE2 4.4Å; I229-Y235 HydrophobicContact CG1-CG 3.9Å; I229-Y235 HydrophobicContact CG2-CE1 4.43Å; K233-Y235 PolarHBondContact O-N 3.4Å; Y235-V239 HydrophobicContact CD2-CB 4.41Å; Y235-V239 HydrophobicContact CD2-CG1 3.54Å; Y235-V239 HydrophobicContact CD2-CG2 3.99Å; Y235-V239 HydrophobicContact CE2-CG1 4.4Å; Y235-V239 HydrophobicContact CE2-CG2 4.22Å; Y235-V239 HydrophobicContact CG-CG1 3.87Å
236	N	95.8	Very high	97.7	Very high	49 Å²	49	23.1 Å²	23.1	26%	0.262	13%	0.125	S	C	.	.			trans	-145	-153.1	-178.1	69.1	3.4	0	0	0	110.3	A238 V239	N236-A238 PolarHBondContact O-N 2.91Å; N236-A238 WeakPolarHBondContact OD1-CB 3.41Å; N236-A238 PolarHBondContact OD1-N 3.5Å; N236-V239 WeakPolarHBondContact O-CG2 3.01Å; N236-V239 PolarHBondContact O-N 3.49Å
237	K	97.7	Very high	97.7	Very high	49 Å²	49	23.1 Å²	23.1	21%	0.213	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.8	-25.5	177.1	-64.9	168.6	171.9	90	0	115.5	H178 D181 I183 V239 D240	H178-K237 HydrophobicContact CB-CD 3.81Å; H178-K237 HydrophobicContact CB-CG 4.23Å; H178-K237 PolarHBondContact CE1-O 2.62Å; H178-K237 VanDerWaalsContact CE1-O 3.28Å; H178-K237 WeakPolarHBondContact O-CE 3.4Å; D181-K237 IonicContact OD1-NZ 3.45Å; D181-K237 PolarHBondContact OD1-NZ 3.41Å; I183-K237 HydrophobicContact CG2-CB 4.19Å; I183-K237 HydrophobicContact CG2-CG 3.64Å; K237-V239 PolarHBondContact O-N 3.31Å; K237-V239 VanDerWaalsContact O-N 3.16Å; K237-D240 PolarHBondContact O-N 3.46Å
238	A	98	Very high	97.7	Very high	2 Å²	2	23 Å²	23	2%	0.017	12%	0.124	C	C	.	.	H	α-helix	trans	-63.6	-19.6	-177.3	0	0	0	0	0	114.9	N236 W241 W242 L297 R300 N303	N236-A238 PolarHBondContact O-N 2.91Å; N236-A238 WeakPolarHBondContact OD1-CB 3.41Å; N236-A238 PolarHBondContact OD1-N 3.5Å; A238-W241 PolarHBondContact O-N 2.78Å; A238-W242 PolarHBondContact O-N 2.95Å; A238-L297 HydrophobicContact CB-CD2 4.12Å; A238-R300 PolarHBondContact O-NH1 3.29Å; A238-N303 HydrophobicContact CB-CB 3.95Å
239	V	98.4	Very high	97.8	Very high	5 Å²	5	22.9 Å²	22.9	3%	0.03	12%	0.124	C	C	.	.	H	α-helix	trans	-71.3	-32.2	178.9	-56.1	0	0	0	0	112.1	R185 A226 E228 I229 Y235 N236 K237 W241 W242 A243	R185-V239 HydrophobicContact CG-CG2 4.42Å; A226-V239 HydrophobicContact CB-CB 3.98Å; A226-V239 HydrophobicContact CB-CG1 3.89Å; E228-V239 HydrophobicContact CG-CG1 4.12Å; E228-V239 WeakPolarHBondContact OE1-CG1 3.39Å; I229-V239 HydrophobicContact CD1-CB 3.9Å; I229-V239 HydrophobicContact CD1-CG1 3.76Å; I229-V239 HydrophobicContact CD1-CG2 4.28Å; I229-V239 HydrophobicContact CG1-CB 4.49Å; I229-V239 HydrophobicContact CG1-CG1 3.81Å; Y235-V239 HydrophobicContact CD2-CB 4.41Å; Y235-V239 HydrophobicContact CD2-CG1 3.54Å; Y235-V239 HydrophobicContact CD2-CG2 3.99Å; Y235-V239 HydrophobicContact CE2-CG1 4.4Å; Y235-V239 HydrophobicContact CE2-CG2 4.22Å; Y235-V239 HydrophobicContact CG-CG1 3.87Å; N236-V239 WeakPolarHBondContact O-CG2 3.01Å; N236-V239 PolarHBondContact O-N 3.49Å; K237-V239 PolarHBondContact O-N 3.31Å; K237-V239 VanDerWaalsContact O-N 3.16Å; V239-W241 VanDerWaalsContact C-N 3.32Å; V239-W241 PolarHBondContact O-N 3.18Å; V239-W242 WeakPolarHBondContact O-CB 3.42Å; V239-W242 PolarHBondContact O-N 3.44Å; V239-A243 PolarHBondContact O-N 3.24Å
240	D	98.7	Very high	97.8	Very high	1 Å²	1	22.8 Å²	22.8	1%	0.005	12%	0.123	C	C	.	.	H	α-helix	trans	-67.5	-36.2	177.7	-72.1	-20.6	0	0	0	110.6	F174 H178 I183 Y184 R185 K237 A243 L244	F174-D240 HydrophobicContact CD2-CB 3.82Å; F174-D240 HydrophobicContact CE2-CB 3.61Å; F174-D240 WeakPolarHBondContact CE2-O 3.45Å; F174-D240 HydrophobicContact CG-CB 4.44Å; F174-D240 HydrophobicContact CZ-CB 4.04Å; H178-D240 IonicContact CD2-OD2 2.69Å; H178-D240 IonicContact CE1-OD2 3.1Å; H178-D240 IonicContact NE2-OD2 3.03Å; H178-D240 PolarHBondContact NE2-OD2 3.41Å; I183-D240 WeakPolarHBondContact CA-OD2 3.29Å; Y184-D240 PolarHBondContact N-OD1 3.49Å; Y184-D240 PolarHBondContact N-OD2 2.84Å; R185-D240 PolarHBondContact N-OD1 3.44Å; K237-D240 PolarHBondContact O-N 3.46Å; D240-A243 PolarHBondContact O-N 2.93Å; D240-L244 PolarHBondContact O-N 3.39Å
241	W	98.8	Very high	97.9	Very high	5 Å²	5	21.2 Å²	21.2	2%	0.019	12%	0.115	C	C	.	.	H	α-helix	trans	-69.9	-32	175.5	-58.8	124.9	0	0	0	113.2	V171 F174 H178 A238 V239 L244 G245 L292 V308 I311	V171-W241 HydrophobicContact CB-CZ3 4.39Å; V171-W241 HydrophobicContact CG1-CH2 4.39Å; V171-W241 HydrophobicContact CG1-CZ3 4.38Å; V171-W241 HydrophobicContact CG2-CZ3 4.08Å; F174-W241 HydrophobicContact CB-CH2 3.54Å; F174-W241 HydrophobicContact CB-CZ2 4.08Å; F174-W241 HydrophobicContact CB-CZ3 3.89Å; F174-W241 HydrophobicContact CD2-CE3 4.1Å; F174-W241 HydrophobicContact CD2-CH2 4.38Å; F174-W241 AromaticContact CD2-CZ3 3.91Å; F174-W241 HydrophobicContact CD2-CZ3 3.91Å; F174-W241 HydrophobicContact CG-CZ3 4.43Å; H178-W241 AromaticContact CE1-CE2 3.75Å; H178-W241 AromaticContact CE1-CZ2 3.94Å; H178-W241 AromaticContact CE1-NE1 3.61Å; H178-W241 AromaticContact ND1-CE2 3.79Å; H178-W241 AromaticContact ND1-CZ2 3.71Å; H178-W241 AromaticContact ND1-NE1 3.59Å; A238-W241 PolarHBondContact O-N 2.78Å; V239-W241 VanDerWaalsContact C-N 3.32Å; V239-W241 PolarHBondContact O-N 3.18Å; W241-L244 HydrophobicContact CE3-CD2 3.7Å; W241-L244 HydrophobicContact CZ3-CD2 3.88Å; W241-G245 PolarHBondContact O-N 3.44Å; W241-G245 VanDerWaalsContact O-N 3.17Å; W241-L292 HydrophobicContact CB-CD2 4.32Å; W241-V308 HydrophobicContact CH2-CB 4.31Å; W241-V308 HydrophobicContact CH2-CG2 3.58Å; W241-V308 HydrophobicContact CZ2-CB 4.05Å; W241-V308 HydrophobicContact CZ2-CG2 3.84Å; W241-V308 HydrophobicContact CZ3-CG2 4.44Å; W241-I311 HydrophobicContact CB-CD1 4.4Å; W241-I311 HydrophobicContact CD2-CD1 3.48Å; W241-I311 VanDerWaalsContact CD2-CD1 3.48Å; W241-I311 HydrophobicContact CE3-CD1 3.3Å; W241-I311 HydrophobicContact CG-CD1 3.98Å; W241-I311 HydrophobicContact CH2-CD1 4.34Å; W241-I311 HydrophobicContact CZ2-CD1 4.48Å; W241-I311 HydrophobicContact CZ3-CD1 3.77Å
242	W	98.8	Very high	97.9	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-63	-50.8	168.8	172.3	-82.6	0	0	0	110.5	L225 A226 P227 A238 V239 L244 G245 V246 F258 I270 L293 V295	L225-W242 PolarHBondContact O-NE1 3.3Å; A226-W242 HydrophobicContact CB-CB 3.89Å; A226-W242 HydrophobicContact CB-CD2 4.31Å; A226-W242 HydrophobicContact CB-CG 3.77Å; P227-W242 HydrophobicContact CG-CE3 4.13Å; P227-W242 HydrophobicContact CG-CH2 3.5Å; P227-W242 HydrophobicContact CG-CZ2 3.95Å; P227-W242 HydrophobicContact CG-CZ3 3.59Å; A238-W242 PolarHBondContact O-N 2.95Å; V239-W242 WeakPolarHBondContact O-CB 3.42Å; V239-W242 PolarHBondContact O-N 3.44Å; W242-L244 PolarHBondContact O-N 3.36Å; W242-G245 WeakPolarHBondContact O-CA 3.34Å; W242-G245 PolarHBondContact O-N 3.17Å; W242-V246 PolarHBondContact O-N 2.98Å; W242-F258 AromaticContact CH2-CE2 3.96Å; W242-F258 HydrophobicContact CH2-CE2 3.96Å; W242-F258 AromaticContact CH2-CZ 3.94Å; W242-F258 HydrophobicContact CH2-CZ 3.94Å; W242-F258 HydrophobicContact CZ2-CD2 4.2Å; W242-F258 AromaticContact CZ2-CE2 3.38Å; W242-F258 HydrophobicContact CZ2-CE2 3.38Å; W242-F258 AromaticContact CZ2-CZ 3.84Å; W242-F258 HydrophobicContact CZ2-CZ 3.84Å; W242-I270 HydrophobicContact CH2-CG2 4.28Å; W242-I270 HydrophobicContact CZ2-CG2 3.69Å; W242-L293 HydrophobicContact CD2-CD2 4.1Å; W242-L293 HydrophobicContact CE3-CD2 4.35Å; W242-L293 HydrophobicContact CZ2-CD2 4.34Å; W242-L293 VanDerWaalsContact CZ3-C 3.44Å; W242-L293 HydrophobicContact CZ3-CB 4.31Å; W242-V295 HydrophobicContact CZ3-CG2 4.47Å
243	A	98.8	Very high	98.1	Very high	6 Å²	6	13.5 Å²	13.5	5%	0.05	7%	0.068	C	C	.	.	H	α-helix	trans	-60	-35.9	179.4	0	0	0	0	0	111.8	L187 Y224 V239 D240 G245 V246 L247	L187-A243 HydrophobicContact CB-CB 3.92Å; L187-A243 HydrophobicContact CD2-CB 4.32Å; Y224-A243 HydrophobicContact CD1-CB 4.24Å; V239-A243 PolarHBondContact O-N 3.24Å; D240-A243 PolarHBondContact O-N 2.93Å; A243-G245 VanDerWaalsContact C-N 3.33Å; A243-G245 PolarHBondContact O-N 3.36Å; A243-V246 WeakPolarHBondContact O-CB 3.32Å; A243-V246 PolarHBondContact O-N 3.49Å; A243-L247 WeakPolarHBondContact O-CB 3.24Å; A243-L247 PolarHBondContact O-N 2.94Å
244	L	98.9	Very high	98.1	Very high	0 Å²	0	7.9 Å²	7.9	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-59.7	-42.2	170.9	176.5	66.8	0	0	0	111.8	A167 I170 V171 F174 L187 D240 W241 W242 V246 L247 I248 L292	A167-L244 HydrophobicContact CB-CD1 4.3Å; I170-L244 HydrophobicContact CB-CD1 4.21Å; I170-L244 HydrophobicContact CG2-CD1 3.93Å; V171-L244 HydrophobicContact CG2-CD2 3.5Å; F174-L244 HydrophobicContact CE2-CB 4.49Å; L187-L244 HydrophobicContact CD2-CB 4.2Å; D240-L244 PolarHBondContact O-N 3.39Å; W241-L244 HydrophobicContact CE3-CD2 3.7Å; W241-L244 HydrophobicContact CZ3-CD2 3.88Å; W242-L244 PolarHBondContact O-N 3.36Å; L244-V246 VanDerWaalsContact C-N 3.34Å; L244-L247 PolarHBondContact O-N 3.34Å; L244-I248 HydrophobicContact CD1-CD1 3.95Å; L244-I248 HydrophobicContact CD1-CG1 4.1Å; L244-I248 HydrophobicContact CD2-CD1 4.39Å; L244-I248 HydrophobicContact CG-CD1 3.82Å; L244-I248 HydrophobicContact CG-CG1 4.36Å; L244-I248 WeakPolarHBondContact O-CB 3.45Å; L244-I248 VanDerWaalsContact O-CG1 3.26Å; L244-I248 WeakPolarHBondContact O-CG1 3.35Å; L244-I248 PolarHBondContact O-N 3.09Å; L244-L292 HydrophobicContact CD2-CD1 4.5Å
245	G	98.8	Very high	98.1	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-61.2	-42.1	174.7	0	0	0	0	0	112.6	W241 W242 A243 Y249 L289	W241-G245 PolarHBondContact O-N 3.44Å; W241-G245 VanDerWaalsContact O-N 3.17Å; W242-G245 WeakPolarHBondContact O-CA 3.34Å; W242-G245 PolarHBondContact O-N 3.17Å; A243-G245 VanDerWaalsContact C-N 3.33Å; A243-G245 PolarHBondContact O-N 3.36Å; G245-Y249 WeakPolarHBondContact O-CB 2.79Å; G245-Y249 PolarHBondContact O-N 2.95Å; G245-Y249 VanDerWaalsContact O-N 3.09Å; G245-L289 WeakPolarHBondContact O-CD2 3.39Å
246	V	98.8	Very high	98.1	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-61.7	-48.2	175.4	177.7	0	0	0	0	109.9	E223 Y224 W242 A243 L244 Y249 E250 P256 P257 L293	E223-V246 WeakPolarHBondContact O-CG1 3.3Å; Y224-V246 HydrophobicContact CD1-CB 3.76Å; Y224-V246 HydrophobicContact CD1-CG1 3.55Å; Y224-V246 HydrophobicContact CD2-CG1 4.25Å; Y224-V246 HydrophobicContact CE1-CB 3.87Å; Y224-V246 HydrophobicContact CE1-CG1 3.49Å; Y224-V246 VanDerWaalsContact CE1-CG1 3.49Å; Y224-V246 HydrophobicContact CE2-CG1 4.16Å; Y224-V246 HydrophobicContact CG-CB 4.47Å; Y224-V246 HydrophobicContact CG-CG1 3.95Å; W242-V246 PolarHBondContact O-N 2.98Å; A243-V246 WeakPolarHBondContact O-CB 3.32Å; A243-V246 PolarHBondContact O-N 3.49Å; L244-V246 VanDerWaalsContact C-N 3.34Å; V246-Y249 WeakPolarHBondContact O-CB 3.43Å; V246-Y249 PolarHBondContact O-N 2.61Å; V246-E250 PolarHBondContact O-N 3.01Å; V246-P256 HydrophobicContact CG1-CB 4.35Å; V246-P257 HydrophobicContact CB-CG 4.41Å; V246-P257 HydrophobicContact CG1-CG 4.19Å; V246-P257 HydrophobicContact CG2-CG 4.27Å; V246-L293 HydrophobicContact CG2-CD2 3.76Å
247	L	98.8	Very high	98.2	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-62.9	-45	179.9	-175	70.2	0	0	0	112.6	M148 I170 L187 P189 L192 Y224 A243 L244 Y249 E250 M251	M148-L247 HydrophobicContact SD-CD1 4.46Å; I170-L247 HydrophobicContact CD1-CD2 3.27Å; L187-L247 HydrophobicContact CD1-CD2 4.14Å; L187-L247 HydrophobicContact CD2-CB 4.13Å; L187-L247 HydrophobicContact CD2-CD2 3.85Å; L187-L247 HydrophobicContact CG-CD2 4.01Å; P189-L247 HydrophobicContact CG-CD1 3.77Å; L192-L247 HydrophobicContact CD1-CD1 4.05Å; L192-L247 HydrophobicContact CD1-CD2 3.5Å; L192-L247 HydrophobicContact CD1-CG 4.42Å; Y224-L247 HydrophobicContact CE1-CB 3.98Å; Y224-L247 HydrophobicContact CE1-CD1 4.37Å; A243-L247 WeakPolarHBondContact O-CB 3.24Å; A243-L247 PolarHBondContact O-N 2.94Å; L244-L247 PolarHBondContact O-N 3.34Å; L247-Y249 VanDerWaalsContact C-N 3.29Å; L247-Y249 PolarHBondContact O-N 2.84Å; L247-E250 PolarHBondContact O-N 2.99Å; L247-M251 HydrophobicContact CD1-CG 4.47Å; L247-M251 HydrophobicContact CD2-CE 4.38Å; L247-M251 HydrophobicContact CG-CE 4.12Å; L247-M251 HydrophobicContact CG-CG 4.4Å; L247-M251 HydrophobicContact CG-SD 4.49Å; L247-M251 WeakPolarHBondContact O-CB 3.31Å; L247-M251 WeakPolarHBondContact O-CG 3.46Å; L247-M251 PolarHBondContact O-N 3.31Å
248	I	98.8	Very high	98.2	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-60.6	-42.9	178	-71.1	169.3	0	0	0	110.4	A167 L244 M251 A252 L285 L288 L289 L292 W316	A167-I248 HydrophobicContact CB-CD1 3.82Å; A167-I248 HydrophobicContact CB-CG1 3.7Å; L244-I248 HydrophobicContact CD1-CD1 3.95Å; L244-I248 HydrophobicContact CD1-CG1 4.1Å; L244-I248 HydrophobicContact CD2-CD1 4.39Å; L244-I248 HydrophobicContact CG-CD1 3.82Å; L244-I248 HydrophobicContact CG-CG1 4.36Å; L244-I248 WeakPolarHBondContact O-CB 3.45Å; L244-I248 VanDerWaalsContact O-CG1 3.26Å; L244-I248 WeakPolarHBondContact O-CG1 3.35Å; L244-I248 PolarHBondContact O-N 3.09Å; I248-M251 HydrophobicContact CG1-CE 4.26Å; I248-A252 WeakPolarHBondContact O-CB 3.32Å; I248-A252 PolarHBondContact O-N 3.3Å; I248-A252 VanDerWaalsContact O-N 3.16Å; I248-L285 HydrophobicContact CG2-CD1 3.53Å; I248-L288 HydrophobicContact CD1-CD2 4.17Å; I248-L289 HydrophobicContact CB-CD2 4.07Å; I248-L289 HydrophobicContact CG2-CD2 3.94Å; I248-L292 HydrophobicContact CD1-CD1 4.06Å; I248-W316 HydrophobicContact CD1-CZ3 4.31Å; I248-W316 HydrophobicContact CG2-CH2 3.95Å; I248-W316 HydrophobicContact CG2-CZ2 4.32Å; I248-W316 HydrophobicContact CG2-CZ3 4.44Å
249	Y	98.8	Very high	98	Very high	6 Å²	6	13.7 Å²	13.7	2%	0.024	7%	0.067	C	C	.	.	H	α-helix	trans	-60.6	-50.2	174.2	-176.7	-68.6	0	0	0	110.3	G245 V246 L247 M251 A252 A253 Y255 P257 V275 K276 F277 F281 L289	G245-Y249 WeakPolarHBondContact O-CB 2.79Å; G245-Y249 PolarHBondContact O-N 2.95Å; G245-Y249 VanDerWaalsContact O-N 3.09Å; V246-Y249 WeakPolarHBondContact O-CB 3.43Å; V246-Y249 PolarHBondContact O-N 2.61Å; L247-Y249 VanDerWaalsContact C-N 3.29Å; L247-Y249 PolarHBondContact O-N 2.84Å; Y249-M251 PolarHBondContact O-N 3.41Å; Y249-A252 PolarHBondContact O-N 2.95Å; Y249-A253 HydrophobicContact CD1-CB 3.86Å; Y249-A253 HydrophobicContact CE1-CB 3.57Å; Y249-A253 VanDerWaalsContact O-CB 3.25Å; Y249-A253 WeakPolarHBondContact O-CB 3.21Å; Y249-A253 PolarHBondContact O-N 3.29Å; Y249-Y255 VanDerWaalsContact CD1-O 3.25Å; Y249-Y255 WeakPolarHBondContact CD1-O 3.4Å; Y249-Y255 HydrophobicContact CE1-CD2 4.01Å; Y249-Y255 AromaticContact CE1-CE2 3.74Å; Y249-Y255 HydrophobicContact CE1-CE2 3.74Å; Y249-Y255 VanDerWaalsContact CE1-O 3.32Å; Y249-Y255 WeakPolarHBondContact CE1-O 3.34Å; Y249-P257 HydrophobicContact CD1-CB 3.86Å; Y249-P257 HydrophobicContact CD1-CG 4.17Å; Y249-P257 HydrophobicContact CD2-CB 3.77Å; Y249-P257 HydrophobicContact CD2-CG 4.41Å; Y249-P257 HydrophobicContact CE1-CB 4.04Å; Y249-P257 HydrophobicContact CE2-CB 3.93Å; Y249-P257 HydrophobicContact CG-CB 3.76Å; Y249-P257 HydrophobicContact CG-CG 4Å; Y249-V275 HydrophobicContact CD2-CG1 4.11Å; Y249-V275 HydrophobicContact CE2-CG1 3.82Å; Y249-K276 WeakPolarHBondContact CE2-O 3.32Å; Y249-K276 PolarHBondContact OH-O 3.02Å; Y249-F277 HydrophobicContact CD2-CD1 4.49Å; Y249-F277 HydrophobicContact CE2-CD1 4.26Å; Y249-F281 AromaticContact CD2-CE2 3.8Å; Y249-F281 HydrophobicContact CD2-CE2 3.8Å; Y249-F281 HydrophobicContact CD2-CZ 4.26Å; Y249-F281 HydrophobicContact CE2-CE2 4.01Å; Y249-F281 HydrophobicContact CE2-CZ 4.42Å; Y249-F281 HydrophobicContact CG-CE2 4.29Å; Y249-F281 HydrophobicContact CG-CZ 4.38Å; Y249-L289 HydrophobicContact CD2-CD1 4.04Å
250	E	98.5	Very high	97.9	Very high	9 Å²	9	14.6 Å²	14.6	4%	0.042	7%	0.074	C	C	.	.	H	α-helix	trans	-61.5	-43.3	-177.5	178.4	159.7	-169.9	0	0	112.3	L152 R153 Y224 V246 L247 A252 G254 Y255	L152-E250 HydrophobicContact CD2-CG 3.71Å; R153-E250 IonicContact NH2-OE1 3.05Å; R153-E250 PolarHBondContact NH2-OE1 3.49Å; Y224-E250 PolarHBondContact OH-OE2 2.74Å; V246-E250 PolarHBondContact O-N 3.01Å; L247-E250 PolarHBondContact O-N 2.99Å; E250-A252 VanDerWaalsContact C-N 3.34Å; E250-A252 PolarHBondContact O-N 3.48Å; E250-G254 VanDerWaalsContact O-CA 3.25Å; E250-G254 WeakPolarHBondContact O-CA 3.33Å; E250-G254 PolarHBondContact O-N 2.63Å; E250-Y255 WeakPolarHBondContact CA-O 3.33Å
251	M	97.7	Very high	97.6	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-59	-45.2	174.2	-72.5	-170.9	-66.6	0	0	111.6	M148 R157 F158 S163 Y166 A167 L247 I248 Y249	M148-M251 HydrophobicContact CE-SD 4.2Å; M148-M251 HydrophobicContact SD-CG 4.13Å; M148-M251 HydrophobicContact SD-SD 3.78Å; R157-M251 CarbonylContact C-O 3.57Å; F158-M251 HydrophobicContact CB-CB 4.43Å; F158-M251 HydrophobicContact CD2-CB 4.04Å; F158-M251 HydrophobicContact CD2-CG 3.94Å; F158-M251 HydrophobicContact CD2-SD 4.03Å; F158-M251 HydrophobicContact CE2-CG 4.34Å; F158-M251 HydrophobicContact CE2-SD 4.37Å; F158-M251 PolarHBondContact N-O 2.66Å; S163-M251 WeakPolarHBondContact O-CE 3.31Å; S163-M251 WeakPolarHBondContact OG-CB 3.5Å; Y166-M251 HydrophobicContact CD2-SD 4.28Å; A167-M251 HydrophobicContact CB-CE 4.38Å; L247-M251 HydrophobicContact CD1-CG 4.47Å; L247-M251 HydrophobicContact CD2-CE 4.38Å; L247-M251 HydrophobicContact CG-CE 4.12Å; L247-M251 HydrophobicContact CG-CG 4.4Å; L247-M251 HydrophobicContact CG-SD 4.49Å; L247-M251 WeakPolarHBondContact O-CB 3.31Å; L247-M251 WeakPolarHBondContact O-CG 3.46Å; L247-M251 PolarHBondContact O-N 3.31Å; I248-M251 HydrophobicContact CG1-CE 4.26Å; Y249-M251 PolarHBondContact O-N 3.41Å
252	A	97.5	Very high	97.4	Very high	2 Å²	2	26.6 Å²	26.6	2%	0.017	14%	0.135	C	C	.	.	H	α-helix	trans	-78.3	-29.8	-175.1	0	0	0	0	0	114.1	R157 I248 Y249 E250 F281 L285	R157-A252 WeakPolarHBondContact CD-O 3.46Å; R157-A252 PolarHBondContact NH1-O 3.31Å; I248-A252 WeakPolarHBondContact O-CB 3.32Å; I248-A252 PolarHBondContact O-N 3.3Å; I248-A252 VanDerWaalsContact O-N 3.16Å; Y249-A252 PolarHBondContact O-N 2.95Å; E250-A252 VanDerWaalsContact C-N 3.34Å; E250-A252 PolarHBondContact O-N 3.48Å; A252-F281 HydrophobicContact CB-CD1 4.5Å; A252-F281 HydrophobicContact CB-CE1 3.65Å; A252-F281 HydrophobicContact CB-CZ 3.72Å; A252-L285 HydrophobicContact CB-CD2 3.85Å
253	A	97.8	Very high	97.2	Very high	8 Å²	8	29.5 Å²	29.5	7%	0.066	15%	0.154	C	C	.	.	H	α-helix	trans	-96.5	-32.1	-177.9	0	0	0	0	0	113.6	Y249 Y255 P278 F281	Y249-A253 HydrophobicContact CD1-CB 3.86Å; Y249-A253 HydrophobicContact CE1-CB 3.57Å; Y249-A253 VanDerWaalsContact O-CB 3.25Å; Y249-A253 WeakPolarHBondContact O-CB 3.21Å; Y249-A253 PolarHBondContact O-N 3.29Å; A253-Y255 HydrophobicContact CB-CD1 4.15Å; A253-Y255 HydrophobicContact CB-CD2 4.48Å; A253-Y255 HydrophobicContact CB-CE1 3.89Å; A253-Y255 HydrophobicContact CB-CE2 4.23Å; A253-Y255 HydrophobicContact CB-CG 4.44Å; A253-Y255 WeakPolarHBondContact O-CD1 3.45Å; A253-Y255 WeakPolarHBondContact O-CE1 3.3Å; A253-P278 HydrophobicContact CB-CG 4.19Å; A253-F281 HydrophobicContact CB-CE1 4.13Å; A253-F281 HydrophobicContact CB-CZ 3.88Å
254	G	96.5	Very high	97	Very high	8 Å²	8	34.1 Å²	34.1	8%	0.082	18%	0.177	C	C	.	.	S	Bend	trans	92.5	2	-170.8	0	0	0	0	0	115.3	R153 G156 E250	R153-G254 PolarHBondContact NH1-O 2.89Å; G156-G254 WeakPolarHBondContact O-CA 3.46Å; E250-G254 VanDerWaalsContact O-CA 3.25Å; E250-G254 WeakPolarHBondContact O-CA 3.33Å; E250-G254 PolarHBondContact O-N 2.63Å
255	Y	97.3	Very high	96.9	Very high	93 Å²	93	37.9 Å²	37.9	37%	0.365	20%	0.195	S	C	.	.	S	Bend	trans	-156	151	-178.4	55.9	-92.8	0	0	0	109.8	Y249 E250 A253 F259	Y249-Y255 VanDerWaalsContact CD1-O 3.25Å; Y249-Y255 WeakPolarHBondContact CD1-O 3.4Å; Y249-Y255 HydrophobicContact CE1-CD2 4.01Å; Y249-Y255 AromaticContact CE1-CE2 3.74Å; Y249-Y255 HydrophobicContact CE1-CE2 3.74Å; Y249-Y255 VanDerWaalsContact CE1-O 3.32Å; Y249-Y255 WeakPolarHBondContact CE1-O 3.34Å; E250-Y255 WeakPolarHBondContact CA-O 3.33Å; A253-Y255 HydrophobicContact CB-CD1 4.15Å; A253-Y255 HydrophobicContact CB-CD2 4.48Å; A253-Y255 HydrophobicContact CB-CE1 3.89Å; A253-Y255 HydrophobicContact CB-CE2 4.23Å; A253-Y255 HydrophobicContact CB-CG 4.44Å; A253-Y255 WeakPolarHBondContact O-CD1 3.45Å; A253-Y255 WeakPolarHBondContact O-CE1 3.3Å; Y255-F259 HydrophobicContact CD2-CD1 4.4Å; Y255-F259 AromaticContact CD2-CE1 3.93Å; Y255-F259 HydrophobicContact CD2-CE1 3.93Å; Y255-F259 HydrophobicContact CE2-CE1 4.29Å
256	P	97.8	Very high	96.8	Very high	15 Å²	15	38.1 Å²	38.1	10%	0.097	20%	0.196	C	C	.	.			trans	-69	154.9	-178.9	26.4	-32.4	0	0	0	112.3	E223 V246 F258 F259	E223-P256 HydrophobicContact CB-CB 4.27Å; E223-P256 HydrophobicContact CB-CG 4.4Å; E223-P256 HydrophobicContact CG-CG 4.13Å; V246-P256 HydrophobicContact CG1-CB 4.35Å; P256-F258 VanDerWaalsContact C-N 3.25Å; P256-F258 PolarHBondContact O-N 3.38Å; P256-F259 HydrophobicContact CG-CB 4.22Å; P256-F259 VanDerWaalsContact O-CD1 3.27Å; P256-F259 WeakPolarHBondContact O-CD1 3.48Å
257	P	98.1	Very high	96.7	Very high	15 Å²	15	40.9 Å²	40.9	10%	0.097	21%	0.207	C	C	.	.	S	Bend	trans	-66	-26.4	179.9	24.1	-31.9	0	0	0	113.6	V246 Y249 V275 L293	V246-P257 HydrophobicContact CB-CG 4.41Å; V246-P257 HydrophobicContact CG1-CG 4.19Å; V246-P257 HydrophobicContact CG2-CG 4.27Å; Y249-P257 HydrophobicContact CD1-CB 3.86Å; Y249-P257 HydrophobicContact CD1-CG 4.17Å; Y249-P257 HydrophobicContact CD2-CB 3.77Å; Y249-P257 HydrophobicContact CD2-CG 4.41Å; Y249-P257 HydrophobicContact CE1-CB 4.04Å; Y249-P257 HydrophobicContact CE2-CB 3.93Å; Y249-P257 HydrophobicContact CG-CB 3.76Å; Y249-P257 HydrophobicContact CG-CG 4Å; P257-V275 HydrophobicContact CB-CG1 4.13Å; P257-L293 HydrophobicContact CB-CD1 4.36Å; P257-L293 HydrophobicContact CG-CD1 4.13Å
258	F	97.5	Very high	96.6	Very high	2 Å²	2	47 Å²	47	1%	0.009	24%	0.235	C	C	.	.	S	Bend	trans	-123.9	108.9	179.3	-46.1	-75.3	0	0	0	108.7	W242 P256 I266 K269 I270 V275 L293	W242-F258 AromaticContact CH2-CE2 3.96Å; W242-F258 HydrophobicContact CH2-CE2 3.96Å; W242-F258 AromaticContact CH2-CZ 3.94Å; W242-F258 HydrophobicContact CH2-CZ 3.94Å; W242-F258 HydrophobicContact CZ2-CD2 4.2Å; W242-F258 AromaticContact CZ2-CE2 3.38Å; W242-F258 HydrophobicContact CZ2-CE2 3.38Å; W242-F258 AromaticContact CZ2-CZ 3.84Å; W242-F258 HydrophobicContact CZ2-CZ 3.84Å; P256-F258 VanDerWaalsContact C-N 3.25Å; P256-F258 PolarHBondContact O-N 3.38Å; F258-I266 HydrophobicContact CB-CG2 4.41Å; F258-K269 HydrophobicContact CB-CB 4.38Å; F258-K269 HydrophobicContact CD1-CB 4.1Å; F258-I270 HydrophobicContact CB-CD1 4.42Å; F258-I270 HydrophobicContact CB-CG1 3.69Å; F258-I270 HydrophobicContact CD1-CG1 4.25Å; F258-I270 HydrophobicContact CD2-CG1 3.65Å; F258-I270 HydrophobicContact CE2-CG1 4.33Å; F258-I270 HydrophobicContact CG-CG1 3.6Å; F258-V275 HydrophobicContact CE1-CG2 3.89Å; F258-V275 HydrophobicContact CE2-CG2 4.42Å; F258-V275 HydrophobicContact CZ-CG2 3.52Å; F258-L293 HydrophobicContact CE2-CD2 4.44Å
259	F	93.9	Very high	96.6	Very high	113 Å²	113	51.3 Å²	51.3	50%	0.496	25%	0.254	S	S	.	.			trans	-141.9	147.8	177.4	62.6	-81.7	0	0	0	110	Y255 P256 K269	Y255-F259 HydrophobicContact CD2-CD1 4.4Å; Y255-F259 AromaticContact CD2-CE1 3.93Å; Y255-F259 HydrophobicContact CD2-CE1 3.93Å; Y255-F259 HydrophobicContact CE2-CE1 4.29Å; P256-F259 HydrophobicContact CG-CB 4.22Å; P256-F259 VanDerWaalsContact O-CD1 3.27Å; P256-F259 WeakPolarHBondContact O-CD1 3.48Å; F259-K269 PolarHBondContact O-NZ 2.68Å
260	A	95.1	Very high	96.5	Very high	23 Å²	23	51 Å²	51	19%	0.19	25%	0.253	C	S	.	.			trans	-164.6	167.2	176	0	0	0	0	0	108.7	Q262 Q265 I266	A260-Q262 VanDerWaalsContact C-N 3.28Å; A260-Q262 PolarHBondContact O-N 2.87Å; A260-Q265 HydrophobicContact CB-CB 3.46Å; A260-Q265 VanDerWaalsContact CB-CB 3.46Å; A260-I266 HydrophobicContact CB-CG1 3.85Å
261	D	93.3	Very high	96.5	Very high	149 Å²	149	53.1 Å²	53.1	80%	0.797	27%	0.266	S	S	*	.	S	Bend	trans	-72	-24.1	-175.8	-57.2	-29.2	0	0	0	113
262	Q	94.5	Very high	96.4	Very high	110 Å²	110	56 Å²	56	51%	0.514	29%	0.286	S	S	.	.	S	Bend	trans	-123.4	136.7	-177.9	-63.9	-60.6	-48.1	0	0	110.5	A260 I264 Q265 I266	A260-Q262 VanDerWaalsContact C-N 3.28Å; A260-Q262 PolarHBondContact O-N 2.87Å; Q262-I264 HydrophobicContact CB-CG2 4.23Å; Q262-I264 PolarHBondContact O-N 3.39Å; Q262-I264 VanDerWaalsContact O-N 3.11Å; Q262-Q265 HydrophobicContact CB-CG 4.32Å; Q262-Q265 WeakPolarHBondContact O-CB 3.24Å; Q262-Q265 PolarHBondContact O-N 3.35Å; Q262-I266 PolarHBondContact O-N 2.89Å
263	P	93.1	Very high	96.2	Very high	60 Å²	60	57 Å²	57	39%	0.39	30%	0.297	S	S	.	.	H	α-helix	trans	-52.1	-38	-179.3	-30.1	35.5	0	0	0	114.2	Q265 I266 Y267	P263-Q265 VanDerWaalsContact C-N 3.27Å; P263-Q265 PolarHBondContact O-N 2.79Å; P263-I266 WeakPolarHBondContact O-CB 3.33Å; P263-I266 PolarHBondContact O-N 3.21Å; P263-I266 VanDerWaalsContact O-N 3.1Å; P263-Y267 HydrophobicContact CB-CE2 4.29Å; P263-Y267 WeakPolarHBondContact O-CD1 3.25Å; P263-Y267 WeakPolarHBondContact O-CD2 3.22Å; P263-Y267 VanDerWaalsContact O-CG 3.23Å; P263-Y267 PolarHBondContact O-N 3.05Å
264	I	94.9	Very high	96.1	Very high	104 Å²	104	64.7 Å²	64.7	53%	0.533	33%	0.329	S	S	.	.	H	α-helix	trans	-60.6	-36.6	178.9	-166.5	61.3	0	0	0	112.7	Q262 Y267 E268	Q262-I264 HydrophobicContact CB-CG2 4.23Å; Q262-I264 PolarHBondContact O-N 3.39Å; Q262-I264 VanDerWaalsContact O-N 3.11Å; I264-Y267 HydrophobicContact CD1-CD2 4.34Å; I264-Y267 WeakPolarHBondContact O-CB 3.35Å; I264-Y267 PolarHBondContact O-N 3.45Å; I264-E268 WeakPolarHBondContact O-CG 3.32Å; I264-E268 PolarHBondContact O-N 3.15Å
265	Q	97	Very high	96.1	Very high	79 Å²	79	65.8 Å²	65.8	37%	0.369	33%	0.334	S	S	.	.	H	α-helix	trans	-74.3	-31.5	177.9	-62	175.3	18.2	0	0	111.5	A260 Q262 P263 Y267 K269	A260-Q265 HydrophobicContact CB-CB 3.46Å; A260-Q265 VanDerWaalsContact CB-CB 3.46Å; Q262-Q265 HydrophobicContact CB-CG 4.32Å; Q262-Q265 WeakPolarHBondContact O-CB 3.24Å; Q262-Q265 PolarHBondContact O-N 3.35Å; P263-Q265 VanDerWaalsContact C-N 3.27Å; P263-Q265 PolarHBondContact O-N 2.79Å; Q265-Y267 VanDerWaalsContact C-N 3.32Å; Q265-K269 WeakPolarHBondContact O-CG 3.35Å; Q265-K269 PolarHBondContact O-N 3.19Å; Q265-K269 VanDerWaalsContact O-N 3.14Å
266	I	97	Very high	96.1	Very high	5 Å²	5	70 Å²	70	3%	0.026	35%	0.354	C	S	.	.	H	α-helix	trans	-62.4	-46.3	171	-57.6	177.1	0	0	0	108.8	P222 E223 F258 A260 Q262 P263 E268 K269 I270	P222-I266 HydrophobicContact CB-CD1 4.4Å; E223-I266 HydrophobicContact CG-CD1 4.21Å; E223-I266 HydrophobicContact CG-CG2 4.5Å; F258-I266 HydrophobicContact CB-CG2 4.41Å; A260-I266 HydrophobicContact CB-CG1 3.85Å; Q262-I266 PolarHBondContact O-N 2.89Å; P263-I266 WeakPolarHBondContact O-CB 3.33Å; P263-I266 PolarHBondContact O-N 3.21Å; P263-I266 VanDerWaalsContact O-N 3.1Å; I266-E268 PolarHBondContact O-N 3.45Å; I266-K269 WeakPolarHBondContact O-CB 3.44Å; I266-K269 PolarHBondContact O-N 2.94Å; I266-I270 HydrophobicContact CG2-CD1 3.76Å; I266-I270 HydrophobicContact CG2-CG1 4.4Å; I266-I270 WeakPolarHBondContact O-CG1 3.42Å; I266-I270 PolarHBondContact O-N 3.11Å
267	Y	97.2	Very high	96.1	Very high	58 Å²	58	71.9 Å²	71.9	23%	0.227	36%	0.361	C	S	.	.	H	α-helix	trans	-61.1	-44.5	178.9	-60.3	-20.7	0	0	0	112.8	P222 L225 I230 P263 I264 Q265 K269 I270 V271	P222-Y267 HydrophobicContact CB-CE1 3.86Å; L225-Y267 HydrophobicContact CD1-CE1 3.89Å; I230-Y267 HydrophobicContact CD1-CD1 3.71Å; I230-Y267 HydrophobicContact CD1-CE1 4.5Å; I230-Y267 HydrophobicContact CD1-CG 4.21Å; I230-Y267 HydrophobicContact CG1-CD1 3.94Å; I230-Y267 HydrophobicContact CG1-CE1 4.44Å; I230-Y267 HydrophobicContact CG1-CG 4.3Å; I230-Y267 HydrophobicContact CG2-CG 4.1Å; P263-Y267 HydrophobicContact CB-CE2 4.29Å; P263-Y267 WeakPolarHBondContact O-CD1 3.25Å; P263-Y267 WeakPolarHBondContact O-CD2 3.22Å; P263-Y267 VanDerWaalsContact O-CG 3.23Å; P263-Y267 PolarHBondContact O-N 3.05Å; I264-Y267 HydrophobicContact CD1-CD2 4.34Å; I264-Y267 WeakPolarHBondContact O-CB 3.35Å; I264-Y267 PolarHBondContact O-N 3.45Å; Q265-Y267 VanDerWaalsContact C-N 3.32Å; Y267-K269 VanDerWaalsContact C-N 3.32Å; Y267-K269 PolarHBondContact O-N 2.8Å; Y267-I270 PolarHBondContact O-N 2.84Å; Y267-V271 WeakPolarHBondContact O-CB 3.39Å; Y267-V271 WeakPolarHBondContact O-CG2 3.46Å; Y267-V271 PolarHBondContact O-N 2.82Å
268	E	97.3	Very high	96.1	Very high	129 Å²	129	71.9 Å²	71.9	60%	0.603	36%	0.36	S	S	*	.	H	α-helix	trans	-57.9	-43.6	174.3	-72.9	173.5	172.3	0	0	112	I264 I266 S272	I264-E268 WeakPolarHBondContact O-CG 3.32Å; I264-E268 PolarHBondContact O-N 3.15Å; I266-E268 PolarHBondContact O-N 3.45Å; E268-S272 WeakPolarHBondContact O-CB 3.42Å; E268-S272 PolarHBondContact O-N 2.82Å
269	K	97.7	Very high	96.1	Very high	89 Å²	89	77.2 Å²	77.2	39%	0.387	40%	0.398	S	S	.	.	H	α-helix	trans	-64.3	-45.1	177.2	-72.4	177.8	-176	-176.2	0	111.7	F258 F259 Q265 I266 Y267 S272 G273	F258-K269 HydrophobicContact CB-CB 4.38Å; F258-K269 HydrophobicContact CD1-CB 4.1Å; F259-K269 PolarHBondContact O-NZ 2.68Å; Q265-K269 WeakPolarHBondContact O-CG 3.35Å; Q265-K269 PolarHBondContact O-N 3.19Å; Q265-K269 VanDerWaalsContact O-N 3.14Å; I266-K269 WeakPolarHBondContact O-CB 3.44Å; I266-K269 PolarHBondContact O-N 2.94Å; Y267-K269 VanDerWaalsContact C-N 3.32Å; Y267-K269 PolarHBondContact O-N 2.8Å; K269-S272 PolarHBondContact O-N 3.31Å; K269-S272 PolarHBondContact O-OG 2.95Å; K269-G273 PolarHBondContact O-N 2.9Å
270	I	97.9	Very high	96.2	Very high	0 Å²	0	75.9 Å²	75.9	0%	0	39%	0.393	C	S	.	.	H	α-helix	trans	-59.8	-50.4	177.2	-72	167.2	0	0	0	110.8	P222 P227 I230 W242 F258 I266 Y267 S272 G273	P222-I270 VanDerWaalsContact O-CD1 3.27Å; P222-I270 WeakPolarHBondContact O-CD1 3.35Å; P227-I270 HydrophobicContact CB-CG2 4.26Å; P227-I270 HydrophobicContact CG-CG2 3.74Å; I230-I270 HydrophobicContact CD1-CB 3.8Å; I230-I270 HydrophobicContact CD1-CD1 3.8Å; I230-I270 HydrophobicContact CD1-CG1 4.41Å; I230-I270 HydrophobicContact CD1-CG2 3.48Å; I230-I270 VanDerWaalsContact CD1-CG2 3.48Å; W242-I270 HydrophobicContact CH2-CG2 4.28Å; W242-I270 HydrophobicContact CZ2-CG2 3.69Å; F258-I270 HydrophobicContact CB-CD1 4.42Å; F258-I270 HydrophobicContact CB-CG1 3.69Å; F258-I270 HydrophobicContact CD1-CG1 4.25Å; F258-I270 HydrophobicContact CD2-CG1 3.65Å; F258-I270 HydrophobicContact CE2-CG1 4.33Å; F258-I270 HydrophobicContact CG-CG1 3.6Å; I266-I270 HydrophobicContact CG2-CD1 3.76Å; I266-I270 HydrophobicContact CG2-CG1 4.4Å; I266-I270 WeakPolarHBondContact O-CG1 3.42Å; I266-I270 PolarHBondContact O-N 3.11Å; Y267-I270 PolarHBondContact O-N 2.84Å; I270-S272 VanDerWaalsContact C-N 3.25Å; I270-S272 PolarHBondContact O-N 2.92Å; I270-G273 PolarHBondContact O-N 2.8Å
271	V	97	Very high	96.4	Very high	53 Å²	53	75 Å²	75	32%	0.321	39%	0.385	S	S	.	.	H	α-helix	trans	-63.1	-33.2	-179.4	171.5	0	0	0	0	111.5	I230 L231 Y267 G273	I230-V271 HydrophobicContact CB-CG2 4.38Å; I230-V271 HydrophobicContact CG2-CG2 3.84Å; L231-V271 HydrophobicContact CD1-CG1 4.48Å; L231-V271 HydrophobicContact CD2-CG1 4.14Å; L231-V271 HydrophobicContact CD2-CG2 4.06Å; L231-V271 HydrophobicContact CG-CG2 4.12Å; Y267-V271 WeakPolarHBondContact O-CB 3.39Å; Y267-V271 WeakPolarHBondContact O-CG2 3.46Å; Y267-V271 PolarHBondContact O-N 2.82Å; V271-G273 PolarHBondContact O-N 2.99Å
272	S	96.4	Very high	96.6	Very high	61 Å²	61	69.5 Å²	69.5	43%	0.427	36%	0.358	S	S	.	.	H	α-helix	trans	-65.7	-23.9	174.2	84.4	0	0	0	0	113.7	E268 K269 I270 K274	E268-S272 WeakPolarHBondContact O-CB 3.42Å; E268-S272 PolarHBondContact O-N 2.82Å; K269-S272 PolarHBondContact O-N 3.31Å; K269-S272 PolarHBondContact O-OG 2.95Å; I270-S272 VanDerWaalsContact C-N 3.25Å; I270-S272 PolarHBondContact O-N 2.92Å; S272-K274 PolarHBondContact O-N 3.44Å; S272-K274 VanDerWaalsContact O-N 3.14Å; S272-K274 PolarHBondContact OG-N 2.86Å
273	G	93.8	Very high	96.8	Very high	23 Å²	23	70.1 Å²	70.1	24%	0.237	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	64.9	8.8	-177.2	0	0	0	0	0	115.2	K269 I270 V271 V275	K269-G273 PolarHBondContact O-N 2.9Å; I270-G273 PolarHBondContact O-N 2.8Å; V271-G273 PolarHBondContact O-N 2.99Å; G273-V275 PolarHBondContact O-N 3.13Å
274	K	94.7	Very high	97.1	Very high	170 Å²	170	71.3 Å²	71.3	74%	0.739	37%	0.366	S	S	*	.			trans	-83	94.3	-174.8	-67.7	-178.8	-178	175.4	0	111.6	S272	S272-K274 PolarHBondContact O-N 3.44Å; S272-K274 VanDerWaalsContact O-N 3.14Å; S272-K274 PolarHBondContact OG-N 2.86Å
275	V	97	Very high	97.2	Very high	30 Å²	30	66.4 Å²	66.4	18%	0.182	34%	0.34	C	S	.	.	P	Polyproline II helix	trans	-90.5	129.3	176.2	-175.8	0	0	0	0	111.1	Y249 P257 F258 G273 F277 L293	Y249-V275 HydrophobicContact CD2-CG1 4.11Å; Y249-V275 HydrophobicContact CE2-CG1 3.82Å; P257-V275 HydrophobicContact CB-CG1 4.13Å; F258-V275 HydrophobicContact CE1-CG2 3.89Å; F258-V275 HydrophobicContact CE2-CG2 4.42Å; F258-V275 HydrophobicContact CZ-CG2 3.52Å; G273-V275 PolarHBondContact O-N 3.13Å; V275-F277 HydrophobicContact CB-CE2 4.3Å; V275-F277 HydrophobicContact CB-CZ 4.03Å; V275-F277 HydrophobicContact CG1-CD1 4.16Å; V275-F277 HydrophobicContact CG1-CE1 3.67Å; V275-F277 HydrophobicContact CG1-CE2 4.19Å; V275-F277 HydrophobicContact CG1-CZ 3.69Å; V275-L293 HydrophobicContact CG1-CD1 4.31Å; V275-L293 HydrophobicContact CG2-CB 4.24Å; V275-L293 HydrophobicContact CG2-CD1 3.86Å
276	K	96.8	Very high	97.3	Very high	181 Å²	181	64.8 Å²	64.8	79%	0.787	33%	0.332	S	S	*	.	P	Polyproline II helix	trans	-97.5	124.1	170.2	-67.1	-177.2	-179	179	0	109.8	Y249	Y249-K276 WeakPolarHBondContact CE2-O 3.32Å; Y249-K276 PolarHBondContact OH-O 3.02Å
277	F	97.9	Very high	97.4	Very high	56 Å²	56	68 Å²	68	25%	0.246	35%	0.349	C	S	.	.	P	Polyproline II helix	trans	-96.9	131.6	-178.8	-62.5	-74.8	0	0	0	111.7	Y249 V275 F281 K286 L289 K290	Y249-F277 HydrophobicContact CD2-CD1 4.49Å; Y249-F277 HydrophobicContact CE2-CD1 4.26Å; V275-F277 HydrophobicContact CB-CE2 4.3Å; V275-F277 HydrophobicContact CB-CZ 4.03Å; V275-F277 HydrophobicContact CG1-CD1 4.16Å; V275-F277 HydrophobicContact CG1-CE1 3.67Å; V275-F277 HydrophobicContact CG1-CE2 4.19Å; V275-F277 HydrophobicContact CG1-CZ 3.69Å; F277-F281 HydrophobicContact CB-CD2 4.46Å; F277-F281 AromaticContact CD1-CD2 3.94Å; F277-F281 HydrophobicContact CD1-CD2 3.94Å; F277-F281 HydrophobicContact CD1-CE2 4.24Å; F277-K286 HydrophobicContact CB-CD 4.24Å; F277-K286 HydrophobicContact CB-CG 4.02Å; F277-K286 HydrophobicContact CD1-CG 4.06Å; F277-K286 HydrophobicContact CD2-CG 4.48Å; F277-K286 HydrophobicContact CG-CG 3.92Å; F277-L289 HydrophobicContact CD1-CD1 4.24Å; F277-L289 HydrophobicContact CE1-CB 3.7Å; F277-L289 HydrophobicContact CE1-CD1 3.85Å; F277-L289 HydrophobicContact CE1-CG 4.46Å; F277-L289 HydrophobicContact CZ-CB 4.24Å; F277-K290 HydrophobicContact CE2-CG 4.04Å; F277-K290 HydrophobicContact CZ-CG 3.92Å
278	P	97.7	Very high	97.5	Very high	14 Å²	14	65.2 Å²	65.2	9%	0.091	34%	0.338	C	S	.	.	P	Polyproline II helix	trans	-56.8	148.5	169.5	-24.8	35	0	0	0	112.2	A253 H280 F281	A253-P278 HydrophobicContact CB-CG 4.19Å; P278-H280 WeakPolarHBondContact CB-CE1 3.39Å; P278-H280 PolarHBondContact O-N 2.59Å; P278-F281 HydrophobicContact CB-CD1 3.96Å; P278-F281 HydrophobicContact CB-CE1 4.11Å; P278-F281 HydrophobicContact CB-CG 4.46Å; P278-F281 HydrophobicContact CG-CD1 4.02Å; P278-F281 HydrophobicContact CG-CE1 3.72Å; P278-F281 HydrophobicContact CG-CE2 4.42Å; P278-F281 HydrophobicContact CG-CZ 3.95Å; P278-F281 PolarHBondContact O-N 3.08Å
279	S	97.1	Very high	97.5	Very high	115 Å²	115	59 Å²	59	80%	0.804	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-35.2	-179.3	54.3	0	0	0	0	112.6	F281	S279-F281 VanDerWaalsContact C-N 3.27Å; S279-F281 PolarHBondContact O-N 3.26Å
280	H	97	Very high	97.6	Very high	84 Å²	84	60.5 Å²	60.5	39%	0.389	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-5.7	-177.7	64.1	-101.9	0	0	0	114.7	R157 P278	R157-H280 PolarHBondContact NH1-CD2 3.19Å; R157-H280 PolarHBondContact NH1-NE2 3Å; P278-H280 WeakPolarHBondContact CB-CE1 3.39Å; P278-H280 PolarHBondContact O-N 2.59Å
281	F	98.5	Very high	97.6	Very high	6 Å²	6	62.1 Å²	62.1	3%	0.026	33%	0.325	C	S	.	.	S	Bend	trans	-70.3	134.6	173.6	-81.5	19.3	0	0	0	110.3	Y249 A252 A253 F277 P278 S279 L285 K286 L289	Y249-F281 AromaticContact CD2-CE2 3.8Å; Y249-F281 HydrophobicContact CD2-CE2 3.8Å; Y249-F281 HydrophobicContact CD2-CZ 4.26Å; Y249-F281 HydrophobicContact CE2-CE2 4.01Å; Y249-F281 HydrophobicContact CE2-CZ 4.42Å; Y249-F281 HydrophobicContact CG-CE2 4.29Å; Y249-F281 HydrophobicContact CG-CZ 4.38Å; A252-F281 HydrophobicContact CB-CD1 4.5Å; A252-F281 HydrophobicContact CB-CE1 3.65Å; A252-F281 HydrophobicContact CB-CZ 3.72Å; A253-F281 HydrophobicContact CB-CE1 4.13Å; A253-F281 HydrophobicContact CB-CZ 3.88Å; F277-F281 HydrophobicContact CB-CD2 4.46Å; F277-F281 AromaticContact CD1-CD2 3.94Å; F277-F281 HydrophobicContact CD1-CD2 3.94Å; F277-F281 HydrophobicContact CD1-CE2 4.24Å; P278-F281 HydrophobicContact CB-CD1 3.96Å; P278-F281 HydrophobicContact CB-CE1 4.11Å; P278-F281 HydrophobicContact CB-CG 4.46Å; P278-F281 HydrophobicContact CG-CD1 4.02Å; P278-F281 HydrophobicContact CG-CE1 3.72Å; P278-F281 HydrophobicContact CG-CE2 4.42Å; P278-F281 HydrophobicContact CG-CZ 3.95Å; P278-F281 PolarHBondContact O-N 3.08Å; S279-F281 VanDerWaalsContact C-N 3.27Å; S279-F281 PolarHBondContact O-N 3.26Å; F281-L285 HydrophobicContact CB-CD2 4.13Å; F281-L285 HydrophobicContact CD1-CD2 3.9Å; F281-L285 HydrophobicContact CD2-CD2 3.61Å; F281-L285 HydrophobicContact CD2-CG 3.91Å; F281-L285 HydrophobicContact CE1-CD2 4.16Å; F281-L285 HydrophobicContact CE2-CD2 3.89Å; F281-L285 HydrophobicContact CE2-CG 4.31Å; F281-L285 HydrophobicContact CG-CD2 3.61Å; F281-L285 HydrophobicContact CG-CG 4.26Å; F281-L285 HydrophobicContact CZ-CD2 4.14Å; F281-K286 HydrophobicContact CB-CD 4.37Å; F281-K286 HydrophobicContact CB-CG 3.93Å; F281-K286 WeakPolarHBondContact O-CE 3.14Å; F281-K286 PolarHBondContact O-NZ 2.74Å; F281-K286 VanDerWaalsContact O-NZ 3.07Å; F281-L289 HydrophobicContact CD2-CD1 4.02Å; F281-L289 HydrophobicContact CE2-CD1 3.63Å
282	S	98.5	Very high	97.7	Very high	33 Å²	33	59.6 Å²	59.6	23%	0.231	31%	0.309	C	S	.	.			trans	-60.6	157.6	171.1	69.4	0	0	0	0	111.8	E160 E284 L285 K286	E160-S282 VanDerWaalsContact CD-OG 3.3Å; E160-S282 WeakPolarHBondContact OE1-CB 3.24Å; E160-S282 PolarHBondContact OE1-N 3.02Å; E160-S282 PolarHBondContact OE1-OG 2.75Å; E160-S282 WeakPolarHBondContact OE2-CB 3.47Å; E160-S282 PolarHBondContact OE2-OG 3.21Å; S282-E284 PolarHBondContact O-N 3.34Å; S282-L285 PolarHBondContact O-N 2.89Å; S282-L285 VanDerWaalsContact OG-CB 3.23Å; S282-L285 WeakPolarHBondContact OG-CB 3.39Å; S282-L285 PolarHBondContact OG-N 3.29Å; S282-K286 WeakPolarHBondContact O-CG 3.13Å; S282-K286 PolarHBondContact O-N 3.24Å
283	N	98.5	Very high	97.8	Very high	123 Å²	123	57.1 Å²	57.1	66%	0.658	29%	0.291	S	S	*	.	H	α-helix	trans	-65	-36.3	176.2	-72.3	-31	0	0	0	110.8	K286 D287	N283-K286 PolarHBondContact O-N 3.47Å; N283-D287 WeakPolarHBondContact O-CB 3.44Å; N283-D287 PolarHBondContact O-N 3.24Å
284	E	98.6	Very high	98	Very high	85 Å²	85	58.6 Å²	58.6	40%	0.397	29%	0.292	S	S	.	.	H	α-helix	trans	-63.8	-42.3	175.5	-64.4	73.2	-163.3	0	0	111.4	S282 D287 L288 H314 K315 W316	S282-E284 PolarHBondContact O-N 3.34Å; E284-D287 PolarHBondContact O-N 3.01Å; E284-L288 PolarHBondContact O-N 3.4Å; E284-H314 PolarHBondContact O-CE1 2.77Å; E284-H314 VanDerWaalsContact O-CE1 3.23Å; E284-K315 HydrophobicContact CG-CB 4.08Å; E284-W316 HydrophobicContact CB-CB 4.04Å; E284-W316 HydrophobicContact CB-CG 4.47Å
285	L	98.8	Very high	98.1	Very high	0 Å²	0	53 Å²	53	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-64.6	-46.8	176.1	177.1	56.1	0	0	0	111.2	E160 I248 A252 F281 S282 D287 L288 L289 W316	E160-L285 HydrophobicContact CG-CD2 3.89Å; E160-L285 WeakPolarHBondContact OE1-CD2 3.33Å; I248-L285 HydrophobicContact CG2-CD1 3.53Å; A252-L285 HydrophobicContact CB-CD2 3.85Å; F281-L285 HydrophobicContact CB-CD2 4.13Å; F281-L285 HydrophobicContact CD1-CD2 3.9Å; F281-L285 HydrophobicContact CD2-CD2 3.61Å; F281-L285 HydrophobicContact CD2-CG 3.91Å; F281-L285 HydrophobicContact CE1-CD2 4.16Å; F281-L285 HydrophobicContact CE2-CD2 3.89Å; F281-L285 HydrophobicContact CE2-CG 4.31Å; F281-L285 HydrophobicContact CG-CD2 3.61Å; F281-L285 HydrophobicContact CG-CG 4.26Å; F281-L285 HydrophobicContact CZ-CD2 4.14Å; S282-L285 PolarHBondContact O-N 2.89Å; S282-L285 VanDerWaalsContact OG-CB 3.23Å; S282-L285 WeakPolarHBondContact OG-CB 3.39Å; S282-L285 PolarHBondContact OG-N 3.29Å; L285-D287 VanDerWaalsContact C-N 3.27Å; L285-D287 PolarHBondContact O-N 3.1Å; L285-L288 PolarHBondContact O-N 3.06Å; L285-L289 HydrophobicContact CD1-CD1 3.73Å; L285-L289 HydrophobicContact CD1-CG 3.89Å; L285-L289 HydrophobicContact CG-CD1 3.85Å; L285-L289 HydrophobicContact CG-CG 4.4Å; L285-L289 WeakPolarHBondContact O-CB 3.31Å; L285-L289 VanDerWaalsContact O-CG 3.3Å; L285-L289 WeakPolarHBondContact O-CG 3.32Å; L285-L289 PolarHBondContact O-N 3.26Å; L285-W316 HydrophobicContact CD1-CD2 4.44Å; L285-W316 HydrophobicContact CD1-CZ2 3.99Å
286	K	98.7	Very high	98.1	Very high	45 Å²	45	54.2 Å²	54.2	20%	0.196	28%	0.277	C	S	.	.	H	α-helix	trans	-57.9	-41.8	176.8	-70.1	171.3	-173.9	160.6	0	111.4	F277 F281 S282 N283 K290	F277-K286 HydrophobicContact CB-CD 4.24Å; F277-K286 HydrophobicContact CB-CG 4.02Å; F277-K286 HydrophobicContact CD1-CG 4.06Å; F277-K286 HydrophobicContact CD2-CG 4.48Å; F277-K286 HydrophobicContact CG-CG 3.92Å; F281-K286 HydrophobicContact CB-CD 4.37Å; F281-K286 HydrophobicContact CB-CG 3.93Å; F281-K286 WeakPolarHBondContact O-CE 3.14Å; F281-K286 PolarHBondContact O-NZ 2.74Å; F281-K286 VanDerWaalsContact O-NZ 3.07Å; S282-K286 WeakPolarHBondContact O-CG 3.13Å; S282-K286 PolarHBondContact O-N 3.24Å; N283-K286 PolarHBondContact O-N 3.47Å; K286-K290 WeakPolarHBondContact O-CB 3.01Å; K286-K290 VanDerWaalsContact O-CG 3.23Å; K286-K290 WeakPolarHBondContact O-CG 3.49Å; K286-K290 PolarHBondContact O-N 3.29Å
287	D	98.6	Very high	98.1	Very high	72 Å²	72	48 Å²	48	39%	0.385	25%	0.253	S	S	.	.	H	α-helix	trans	-66.1	-46.2	178.8	-165.4	50.3	0	0	0	111.8	N283 E284 L285 L289 K290 N291 H314	N283-D287 WeakPolarHBondContact O-CB 3.44Å; N283-D287 PolarHBondContact O-N 3.24Å; E284-D287 PolarHBondContact O-N 3.01Å; L285-D287 VanDerWaalsContact C-N 3.27Å; L285-D287 PolarHBondContact O-N 3.1Å; D287-L289 PolarHBondContact O-N 3.21Å; D287-K290 PolarHBondContact O-N 2.87Å; D287-N291 PolarHBondContact O-N 3.11Å; D287-N291 PolarHBondContact O-ND2 3.46Å; D287-H314 IonicContact OD2-CE1 2.73Å; D287-H314 IonicContact OD2-NE2 2.76Å; D287-H314 PolarHBondContact OD2-NE2 2.96Å; D287-H314 VanDerWaalsContact OD2-NE2 3.08Å
288	L	98.8	Very high	98	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-57.4	-50	175.2	-179.9	60.2	0	0	0	111.3	I248 E284 L285 K290 N291 L292 H314 W316 F317	I248-L288 HydrophobicContact CD1-CD2 4.17Å; E284-L288 PolarHBondContact O-N 3.4Å; L285-L288 PolarHBondContact O-N 3.06Å; L288-K290 VanDerWaalsContact C-N 3.33Å; L288-K290 PolarHBondContact O-N 3.24Å; L288-N291 PolarHBondContact O-N 3.16Å; L288-N291 VanDerWaalsContact O-N 3.07Å; L288-L292 HydrophobicContact CD1-CD1 3.97Å; L288-L292 HydrophobicContact CD1-CG 4.18Å; L288-L292 HydrophobicContact CD2-CD1 4.37Å; L288-L292 HydrophobicContact CG-CD1 3.85Å; L288-L292 HydrophobicContact CG-CG 4.41Å; L288-L292 PolarHBondContact O-N 2.84Å; L288-H314 HydrophobicContact CD1-CB 4.02Å; L288-H314 PolarHBondContact N-CE1 3.13Å; L288-W316 HydrophobicContact CB-CB 4.27Å; L288-W316 HydrophobicContact CD2-CB 4.1Å; L288-W316 HydrophobicContact CD2-CD2 3.88Å; L288-W316 HydrophobicContact CD2-CE3 3.39Å; L288-W316 HydrophobicContact CD2-CG 4.21Å; L288-W316 HydrophobicContact CD2-CZ3 4Å; L288-F317 HydrophobicContact CD2-CD2 4.27Å; L288-F317 HydrophobicContact CD2-CE2 3.77Å
289	L	98.8	Very high	98	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-64	-36.7	-177.3	-70.7	173.7	0	0	0	112.2	G245 I248 Y249 F277 F281 L285 D287 N291 L292 L293	G245-L289 WeakPolarHBondContact O-CD2 3.39Å; I248-L289 HydrophobicContact CB-CD2 4.07Å; I248-L289 HydrophobicContact CG2-CD2 3.94Å; Y249-L289 HydrophobicContact CD2-CD1 4.04Å; F277-L289 HydrophobicContact CD1-CD1 4.24Å; F277-L289 HydrophobicContact CE1-CB 3.7Å; F277-L289 HydrophobicContact CE1-CD1 3.85Å; F277-L289 HydrophobicContact CE1-CG 4.46Å; F277-L289 HydrophobicContact CZ-CB 4.24Å; F281-L289 HydrophobicContact CD2-CD1 4.02Å; F281-L289 HydrophobicContact CE2-CD1 3.63Å; L285-L289 HydrophobicContact CD1-CD1 3.73Å; L285-L289 HydrophobicContact CD1-CG 3.89Å; L285-L289 HydrophobicContact CG-CD1 3.85Å; L285-L289 HydrophobicContact CG-CG 4.4Å; L285-L289 WeakPolarHBondContact O-CB 3.31Å; L285-L289 VanDerWaalsContact O-CG 3.3Å; L285-L289 WeakPolarHBondContact O-CG 3.32Å; L285-L289 PolarHBondContact O-N 3.26Å; D287-L289 PolarHBondContact O-N 3.21Å; L289-N291 PolarHBondContact O-N 3.2Å; L289-L292 PolarHBondContact O-N 3.36Å; L289-L293 HydrophobicContact CD2-CD1 4.48Å; L289-L293 WeakPolarHBondContact O-CA 3.36Å; L289-L293 VanDerWaalsContact O-CB 3.24Å; L289-L293 WeakPolarHBondContact O-CB 3Å; L289-L293 PolarHBondContact O-N 2.97Å
290	K	98.4	Very high	98.1	Very high	119 Å²	119	50 Å²	50	52%	0.517	25%	0.254	S	S	.	.	H	α-helix	trans	-62.1	-30.2	173.8	-78	171.5	-179.3	-179.2	0	113.2	F277 K286 D287 L288	F277-K290 HydrophobicContact CE2-CG 4.04Å; F277-K290 HydrophobicContact CZ-CG 3.92Å; K286-K290 WeakPolarHBondContact O-CB 3.01Å; K286-K290 VanDerWaalsContact O-CG 3.23Å; K286-K290 WeakPolarHBondContact O-CG 3.49Å; K286-K290 PolarHBondContact O-N 3.29Å; D287-K290 PolarHBondContact O-N 2.87Å; L288-K290 VanDerWaalsContact C-N 3.33Å; L288-K290 PolarHBondContact O-N 3.24Å
291	N	98.5	Very high	98.1	Very high	35 Å²	35	48.2 Å²	48.2	19%	0.187	24%	0.244	C	C	.	.	H	α-helix	trans	-88.3	-25.3	179.7	-71.3	-68.2	0	0	0	113.1	D287 L288 L289 R300 Y301	D287-N291 PolarHBondContact O-N 3.11Å; D287-N291 PolarHBondContact O-ND2 3.46Å; L288-N291 PolarHBondContact O-N 3.16Å; L288-N291 VanDerWaalsContact O-N 3.07Å; L289-N291 PolarHBondContact O-N 3.2Å; N291-R300 WeakPolarHBondContact O-CA 3.37Å; N291-Y301 HydrophobicContact CB-CD1 3.66Å; N291-Y301 HydrophobicContact CB-CD2 3.54Å; N291-Y301 HydrophobicContact CB-CE1 3.74Å; N291-Y301 HydrophobicContact CB-CE2 3.61Å; N291-Y301 HydrophobicContact CB-CG 3.56Å; N291-Y301 VanDerWaalsContact CG-CZ 3.49Å; N291-Y301 PolarHBondContact O-N 3.12Å; N291-Y301 WeakPolarHBondContact OD1-CE1 3.34Å
292	L	98.7	Very high	98.1	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-84.4	-48.1	173.2	-69.8	174	0	0	0	112.6	W241 L244 I248 L288 L289 Q294 R300 I311	W241-L292 HydrophobicContact CB-CD2 4.32Å; L244-L292 HydrophobicContact CD2-CD1 4.5Å; I248-L292 HydrophobicContact CD1-CD1 4.06Å; L288-L292 HydrophobicContact CD1-CD1 3.97Å; L288-L292 HydrophobicContact CD1-CG 4.18Å; L288-L292 HydrophobicContact CD2-CD1 4.37Å; L288-L292 HydrophobicContact CG-CD1 3.85Å; L288-L292 HydrophobicContact CG-CG 4.41Å; L288-L292 PolarHBondContact O-N 2.84Å; L289-L292 PolarHBondContact O-N 3.36Å; L292-Q294 PolarHBondContact O-N 3.44Å; L292-R300 WeakPolarHBondContact O-CG 3.42Å; L292-I311 HydrophobicContact CD2-CD1 3.74Å; L292-I311 HydrophobicContact CD2-CG1 3.97Å
293	L	98.6	Very high	98	Very high	8 Å²	8	49.7 Å²	49.7	4%	0.042	25%	0.253	C	S	.	.	S	Bend	trans	-82	50.4	178.5	-58.8	178.5	0	0	0	110.9	W242 V246 P257 F258 V275 L289	W242-L293 HydrophobicContact CD2-CD2 4.1Å; W242-L293 HydrophobicContact CE3-CD2 4.35Å; W242-L293 HydrophobicContact CZ2-CD2 4.34Å; W242-L293 VanDerWaalsContact CZ3-C 3.44Å; W242-L293 HydrophobicContact CZ3-CB 4.31Å; V246-L293 HydrophobicContact CG2-CD2 3.76Å; P257-L293 HydrophobicContact CB-CD1 4.36Å; P257-L293 HydrophobicContact CG-CD1 4.13Å; F258-L293 HydrophobicContact CE2-CD2 4.44Å; V275-L293 HydrophobicContact CG1-CD1 4.31Å; V275-L293 HydrophobicContact CG2-CB 4.24Å; V275-L293 HydrophobicContact CG2-CD1 3.86Å; L289-L293 HydrophobicContact CD2-CD1 4.48Å; L289-L293 WeakPolarHBondContact O-CA 3.36Å; L289-L293 VanDerWaalsContact O-CB 3.24Å; L289-L293 WeakPolarHBondContact O-CB 3Å; L289-L293 PolarHBondContact O-N 2.97Å
294	Q	98	Very high	97.9	Very high	55 Å²	55	46.3 Å²	46.3	26%	0.257	24%	0.235	S	C	.	.			trans	-107.1	119.1	-176.3	-175.7	38.5	-106.8	0	0	110.9	L292 D296 K299 R300	L292-Q294 PolarHBondContact O-N 3.44Å; Q294-D296 HydrophobicContact CG-CB 4.45Å; Q294-D296 WeakPolarHBondContact CG-O 3.46Å; Q294-K299 HydrophobicContact CG-CB 3.71Å; Q294-R300 HydrophobicContact CB-CB 4.11Å; Q294-R300 HydrophobicContact CB-CG 4.3Å; Q294-R300 VanDerWaalsContact O-CZ 3.29Å; Q294-R300 PolarHBondContact O-NE 2.89Å; Q294-R300 PolarHBondContact O-NH2 3.11Å
295	V	97.3	Very high	97.7	Very high	53 Å²	53	52.3 Å²	52.3	32%	0.321	26%	0.26	S	S	.	.	S	Bend	trans	-66.7	-40.2	179.8	-179.3	0	0	0	0	111.4	P227 W242 L297	P227-V295 HydrophobicContact CB-CG1 4.2Å; P227-V295 HydrophobicContact CG-CG1 4.38Å; P227-V295 HydrophobicContact CG-CG2 4.06Å; W242-V295 HydrophobicContact CZ3-CG2 4.47Å; V295-L297 PolarHBondContact O-N 3Å
296	D	96.5	Very high	97.5	Very high	54 Å²	54	57.1 Å²	57.1	29%	0.289	29%	0.286	S	S	.	.	S	Bend	trans	-74.6	104.2	175.4	-176.9	-7.3	0	0	0	110.5	Q294 T298 K299 R300	Q294-D296 HydrophobicContact CG-CB 4.45Å; Q294-D296 WeakPolarHBondContact CG-O 3.46Å; D296-T298 VanDerWaalsContact CG-OG1 3.26Å; D296-T298 PolarHBondContact O-N 3.31Å; D296-T298 WeakPolarHBondContact OD1-CB 3.48Å; D296-T298 PolarHBondContact OD1-N 3.22Å; D296-T298 PolarHBondContact OD1-OG1 2.81Å; D296-T298 PolarHBondContact OD2-OG1 2.92Å; D296-K299 HydrophobicContact CB-CB 4.44Å; D296-K299 HydrophobicContact CB-CD 4.28Å; D296-K299 PolarHBondContact O-N 2.84Å; D296-K299 WeakPolarHBondContact OD2-CD 3.43Å; D296-K299 VanDerWaalsContact OD2-CE 3.22Å; D296-K299 WeakPolarHBondContact OD2-CE 3.4Å; D296-K299 IonicContact OD2-NZ 2.78Å; D296-K299 PolarHBondContact OD2-NZ 3.08Å; D296-R300 PolarHBondContact O-N 2.89Å
297	L	96.9	Very high	97.3	Very high	52 Å²	52	55.9 Å²	55.9	27%	0.272	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-55.3	-27.1	-179.9	-68.9	176.6	0	0	0	113.5	A238 V295 K299 R300 N303	A238-L297 HydrophobicContact CB-CD2 4.12Å; V295-L297 PolarHBondContact O-N 3Å; L297-K299 PolarHBondContact O-N 2.93Å; L297-R300 VanDerWaalsContact CD2-CZ 3.49Å; L297-R300 PolarHBondContact O-N 3.49Å; L297-N303 PolarHBondContact O-ND2 3.05Å
298	T	96.2	Very high	97.2	Very high	106 Å²	106	53.9 Å²	53.9	65%	0.65	28%	0.276	S	S	*	.	G	3₁₀ helix	trans	-73.7	-7.4	178.4	71.2	0	0	0	0	113.4	D296 L304	D296-T298 VanDerWaalsContact CG-OG1 3.26Å; D296-T298 PolarHBondContact O-N 3.31Å; D296-T298 WeakPolarHBondContact OD1-CB 3.48Å; D296-T298 PolarHBondContact OD1-N 3.22Å; D296-T298 PolarHBondContact OD1-OG1 2.81Å; D296-T298 PolarHBondContact OD2-OG1 2.92Å; T298-L304 VanDerWaalsContact C-CD2 3.48Å; T298-L304 WeakPolarHBondContact O-CD2 3.29Å
299	K	97.5	Very high	97.1	Very high	120 Å²	120	55.3 Å²	55.3	52%	0.522	29%	0.288	S	S	.	.	G	3₁₀ helix	trans	-121.5	-2.6	179.5	-64	174.9	-172	139.5	0	112.8	Q294 D296 L297	Q294-K299 HydrophobicContact CG-CB 3.71Å; D296-K299 HydrophobicContact CB-CB 4.44Å; D296-K299 HydrophobicContact CB-CD 4.28Å; D296-K299 PolarHBondContact O-N 2.84Å; D296-K299 WeakPolarHBondContact OD2-CD 3.43Å; D296-K299 VanDerWaalsContact OD2-CE 3.22Å; D296-K299 WeakPolarHBondContact OD2-CE 3.4Å; D296-K299 IonicContact OD2-NZ 2.78Å; D296-K299 PolarHBondContact OD2-NZ 3.08Å; L297-K299 PolarHBondContact O-N 2.93Å
300	R	98.5	Very high	97.1	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	30%	0.295	C	S	.	.			trans	-81.1	123.7	-178.7	-167.7	-174.7	-63.6	166.5	4.8	111.2	E228 A238 N291 L292 Q294 D296 L297 N303 L304	E228-R300 IonicContact OE1-CZ 3.93Å; E228-R300 IonicContact OE1-NH1 3.52Å; E228-R300 PolarHBondContact OE1-NH1 2.91Å; E228-R300 IonicContact OE1-NH2 3.51Å; E228-R300 IonicContact OE2-CZ 3.08Å; E228-R300 IonicContact OE2-NH1 2.82Å; E228-R300 PolarHBondContact OE2-NH1 3.27Å; E228-R300 IonicContact OE2-NH2 3.59Å; E228-R300 PolarHBondContact OE2-NH2 2.89Å; A238-R300 PolarHBondContact O-NH1 3.29Å; N291-R300 WeakPolarHBondContact O-CA 3.37Å; L292-R300 WeakPolarHBondContact O-CG 3.42Å; Q294-R300 HydrophobicContact CB-CB 4.11Å; Q294-R300 HydrophobicContact CB-CG 4.3Å; Q294-R300 VanDerWaalsContact O-CZ 3.29Å; Q294-R300 PolarHBondContact O-NE 2.89Å; Q294-R300 PolarHBondContact O-NH2 3.11Å; D296-R300 PolarHBondContact O-N 2.89Å; L297-R300 VanDerWaalsContact CD2-CZ 3.49Å; L297-R300 PolarHBondContact O-N 3.49Å; R300-N303 HydrophobicContact CB-CB 4.47Å; R300-N303 PolarHBondContact O-N 3.35Å; R300-L304 WeakPolarHBondContact O-CG 3.44Å; R300-L304 PolarHBondContact O-N 3.36Å
301	Y	98.3	Very high	97.1	Very high	46 Å²	46	51 Å²	51	18%	0.18	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58	143.3	171.3	-79.3	11.2	0	0	0	111.2	N291 N303 L304 D310 H314	N291-Y301 HydrophobicContact CB-CD1 3.66Å; N291-Y301 HydrophobicContact CB-CD2 3.54Å; N291-Y301 HydrophobicContact CB-CE1 3.74Å; N291-Y301 HydrophobicContact CB-CE2 3.61Å; N291-Y301 HydrophobicContact CB-CG 3.56Å; N291-Y301 VanDerWaalsContact CG-CZ 3.49Å; N291-Y301 PolarHBondContact O-N 3.12Å; N291-Y301 WeakPolarHBondContact OD1-CE1 3.34Å; Y301-N303 PolarHBondContact O-N 3.42Å; Y301-L304 HydrophobicContact CD1-CD1 3.79Å; Y301-L304 HydrophobicContact CE1-CD1 4.04Å; Y301-D310 HydrophobicContact CD1-CB 3.92Å; Y301-D310 HydrophobicContact CD2-CB 4.03Å; Y301-D310 WeakPolarHBondContact CD2-O 3.31Å; Y301-D310 HydrophobicContact CE1-CB 4.24Å; Y301-D310 HydrophobicContact CE2-CB 4.36Å; Y301-D310 WeakPolarHBondContact CE2-O 3.19Å; Y301-D310 HydrophobicContact CG-CB 3.8Å; Y301-H314 AromaticContact CE2-CD2 3.81Å
302	G	97.1	Very high	97.1	Very high	14 Å²	14	49.9 Å²	49.9	14%	0.144	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	85.8	-19.2	-169.4	0	0	0	0	0	114.2	G307	G302-G307 WeakPolarHBondContact CA-O 3.45Å; G302-G307 PolarHBondContact N-O 2.99Å
303	N	96.6	Very high	97	Very high	56 Å²	56	55.7 Å²	55.7	30%	0.299	30%	0.295	S	S	.	.	S	Bend	trans	-113.1	-4.2	175.9	-166.8	68.4	0	0	0	113.8	A238 L297 R300 Y301	A238-N303 HydrophobicContact CB-CB 3.95Å; L297-N303 PolarHBondContact O-ND2 3.05Å; R300-N303 HydrophobicContact CB-CB 4.47Å; R300-N303 PolarHBondContact O-N 3.35Å; Y301-N303 PolarHBondContact O-N 3.42Å
304	L	96	Very high	97	Very high	53 Å²	53	55.8 Å²	55.8	28%	0.277	30%	0.295	S	S	.	.	S	Bend	trans	-78.6	179.4	174.2	-47.8	-173.9	0	0	0	111.4	T298 R300 Y301 N306 G307 D310	T298-L304 VanDerWaalsContact C-CD2 3.48Å; T298-L304 WeakPolarHBondContact O-CD2 3.29Å; R300-L304 WeakPolarHBondContact O-CG 3.44Å; R300-L304 PolarHBondContact O-N 3.36Å; Y301-L304 HydrophobicContact CD1-CD1 3.79Å; Y301-L304 HydrophobicContact CE1-CD1 4.04Å; L304-N306 VanDerWaalsContact C-N 3.26Å; L304-N306 PolarHBondContact O-N 2.86Å; L304-G307 PolarHBondContact O-N 2.95Å; L304-D310 WeakPolarHBondContact CB-OD2 3.25Å
305	K	94.9	Very high	97	Very high	210 Å²	210	60.8 Å²	60.8	91%	0.913	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-34.3	-179.6	-173	179.6	177.8	-176.4	0	113.9	G307	K305-G307 VanDerWaalsContact C-N 3.34Å
306	N	94.4	Very high	97.1	Very high	102 Å²	102	58.4 Å²	58.4	55%	0.545	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-1.8	178.7	-45.2	-47.4	0	0	0	112.8	L304 V308 A309 D310	L304-N306 VanDerWaalsContact C-N 3.26Å; L304-N306 PolarHBondContact O-N 2.86Å; N306-V308 PolarHBondContact O-N 2.91Å; N306-A309 HydrophobicContact CB-CB 4.17Å; N306-A309 VanDerWaalsContact O-CB 3.26Å; N306-A309 WeakPolarHBondContact O-CB 3.38Å; N306-A309 PolarHBondContact O-N 2.96Å; N306-D310 WeakPolarHBondContact CB-OD1 3.31Å; N306-D310 WeakPolarHBondContact CB-OD2 3.45Å; N306-D310 PolarHBondContact ND2-OD1 3.09Å
307	G	95.4	Very high	97.1	Very high	19 Å²	19	56 Å²	56	20%	0.196	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.1	-126.7	176.7	0	0	0	0	0	113	G302 L304 K305 A309 D310	G302-G307 WeakPolarHBondContact CA-O 3.45Å; G302-G307 PolarHBondContact N-O 2.99Å; L304-G307 PolarHBondContact O-N 2.95Å; K305-G307 VanDerWaalsContact C-N 3.34Å; G307-A309 PolarHBondContact O-N 3.2Å; G307-D310 PolarHBondContact O-N 2.83Å
308	V	96.7	Very high	97.1	Very high	29 Å²	29	56.1 Å²	56.1	18%	0.176	30%	0.302	C	S	.	.	H	α-helix	trans	-62.9	-22.4	-179.8	68	0	0	0	0	113.2	V171 E175 W241 N306 D310 I311 K312	V171-V308 HydrophobicContact CG1-CG2 3.78Å; E175-V308 HydrophobicContact CB-CG2 4.33Å; E175-V308 HydrophobicContact CG-CG1 4.09Å; E175-V308 WeakPolarHBondContact OE1-CG1 3.01Å; W241-V308 HydrophobicContact CH2-CB 4.31Å; W241-V308 HydrophobicContact CH2-CG2 3.58Å; W241-V308 HydrophobicContact CZ2-CB 4.05Å; W241-V308 HydrophobicContact CZ2-CG2 3.84Å; W241-V308 HydrophobicContact CZ3-CG2 4.44Å; N306-V308 PolarHBondContact O-N 2.91Å; V308-D310 VanDerWaalsContact C-N 3.26Å; V308-D310 PolarHBondContact O-N 2.76Å; V308-I311 WeakPolarHBondContact O-CA 3.37Å; V308-I311 WeakPolarHBondContact O-CB 3.3Å; V308-I311 PolarHBondContact O-N 2.98Å; V308-K312 HydrophobicContact CG1-CD 4.45Å; V308-K312 HydrophobicContact CG2-CD 3.9Å; V308-K312 HydrophobicContact CG2-CG 4.11Å; V308-K312 PolarHBondContact O-N 2.73Å
309	A	96.3	Very high	96.9	Very high	31 Å²	31	55.7 Å²	55.7	26%	0.256	30%	0.303	S	S	.	.	H	α-helix	trans	-66.2	-29	179.3	0	0	0	0	0	112.3	N306 G307 I311 K312 N313	N306-A309 HydrophobicContact CB-CB 4.17Å; N306-A309 VanDerWaalsContact O-CB 3.26Å; N306-A309 WeakPolarHBondContact O-CB 3.38Å; N306-A309 PolarHBondContact O-N 2.96Å; G307-A309 PolarHBondContact O-N 3.2Å; A309-I311 PolarHBondContact O-N 3.08Å; A309-K312 PolarHBondContact O-N 3.05Å; A309-N313 VanDerWaalsContact O-CB 3.22Å; A309-N313 WeakPolarHBondContact O-CB 3.3Å; A309-N313 PolarHBondContact O-N 2.74Å; A309-N313 PolarHBondContact O-ND2 2.74Å; A309-N313 VanDerWaalsContact O-ND2 3.17Å
310	D	97.9	Very high	96.8	Very high	27 Å²	27	50.6 Å²	50.6	14%	0.144	28%	0.282	C	S	.	.	H	α-helix	trans	-63.4	-30.2	173	-65.8	-45.1	0	0	0	111.6	Y301 L304 N306 G307 V308	Y301-D310 HydrophobicContact CD1-CB 3.92Å; Y301-D310 HydrophobicContact CD2-CB 4.03Å; Y301-D310 WeakPolarHBondContact CD2-O 3.31Å; Y301-D310 HydrophobicContact CE1-CB 4.24Å; Y301-D310 HydrophobicContact CE2-CB 4.36Å; Y301-D310 WeakPolarHBondContact CE2-O 3.19Å; Y301-D310 HydrophobicContact CG-CB 3.8Å; L304-D310 WeakPolarHBondContact CB-OD2 3.25Å; N306-D310 WeakPolarHBondContact CB-OD1 3.31Å; N306-D310 WeakPolarHBondContact CB-OD2 3.45Å; N306-D310 PolarHBondContact ND2-OD1 3.09Å; G307-D310 PolarHBondContact O-N 2.83Å; V308-D310 VanDerWaalsContact C-N 3.26Å; V308-D310 PolarHBondContact O-N 2.76Å
311	I	98.5	Very high	96.7	Very high	0 Å²	0	53 Å²	53	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-79.7	-53.8	175.4	-54.7	173.7	0	0	0	109.8	V171 W241 L292 V308 A309 N313 H314 F317	V171-I311 HydrophobicContact CG2-CG2 3.94Å; W241-I311 HydrophobicContact CB-CD1 4.4Å; W241-I311 HydrophobicContact CD2-CD1 3.48Å; W241-I311 VanDerWaalsContact CD2-CD1 3.48Å; W241-I311 HydrophobicContact CE3-CD1 3.3Å; W241-I311 HydrophobicContact CG-CD1 3.98Å; W241-I311 HydrophobicContact CH2-CD1 4.34Å; W241-I311 HydrophobicContact CZ2-CD1 4.48Å; W241-I311 HydrophobicContact CZ3-CD1 3.77Å; L292-I311 HydrophobicContact CD2-CD1 3.74Å; L292-I311 HydrophobicContact CD2-CG1 3.97Å; V308-I311 WeakPolarHBondContact O-CA 3.37Å; V308-I311 WeakPolarHBondContact O-CB 3.3Å; V308-I311 PolarHBondContact O-N 2.98Å; A309-I311 PolarHBondContact O-N 3.08Å; I311-N313 VanDerWaalsContact C-N 3.28Å; I311-N313 PolarHBondContact O-N 3.42Å; I311-H314 VanDerWaalsContact O-CB 3.23Å; I311-H314 WeakPolarHBondContact O-CB 3.4Å; I311-H314 PolarHBondContact O-N 2.76Å; I311-H314 VanDerWaalsContact O-N 3.1Å; I311-F317 HydrophobicContact CG2-CD2 4.36Å; I311-F317 HydrophobicContact CG2-CE2 3.79Å; I311-F317 VanDerWaalsContact O-CD2 3.29Å; I311-F317 WeakPolarHBondContact O-CD2 3.48Å
312	K	98.1	Very high	96.5	Very high	12 Å²	12	51.2 Å²	51.2	5%	0.052	29%	0.288	C	S	.	.	H	α-helix	trans	-62.7	-33.3	-174.1	-71.5	173.1	68.9	173.2	0	113.4	Y31 V171 E175 V308 A309 W322	Y31-K312 PolarHBondContact OH-NZ 2.85Å; V171-K312 HydrophobicContact CG1-CD 4.1Å; V171-K312 HydrophobicContact CG1-CG 3.66Å; E175-K312 VanDerWaalsContact CD-NZ 3.28Å; E175-K312 IonicContact OE1-NZ 3.32Å; E175-K312 PolarHBondContact OE1-NZ 2.76Å; E175-K312 IonicContact OE2-NZ 2.97Å; E175-K312 PolarHBondContact OE2-NZ 3.35Å; V308-K312 HydrophobicContact CG1-CD 4.45Å; V308-K312 HydrophobicContact CG2-CD 3.9Å; V308-K312 HydrophobicContact CG2-CG 4.11Å; V308-K312 PolarHBondContact O-N 2.73Å; A309-K312 PolarHBondContact O-N 3.05Å; K312-W322 VanDerWaalsContact CA-CZ2 3.43Å; K312-W322 HydrophobicContact CB-CD2 4.47Å; K312-W322 HydrophobicContact CB-CH2 4.28Å; K312-W322 HydrophobicContact CB-CZ2 3.67Å; K312-W322 HydrophobicContact CD-CD2 4.46Å; K312-W322 HydrophobicContact CD-CE3 4.49Å; K312-W322 HydrophobicContact CG-CD2 4.16Å; K312-W322 HydrophobicContact CG-CE3 4.24Å; K312-W322 HydrophobicContact CG-CH2 3.73Å; K312-W322 HydrophobicContact CG-CZ2 3.63Å; K312-W322 HydrophobicContact CG-CZ3 4.02Å; K312-W322 WeakPolarHBondContact O-CZ2 3.46Å; K312-W322 PolarHBondContact O-NE1 2.86Å
313	N	97.3	Very high	96.4	Very high	122 Å²	122	53.7 Å²	53.7	65%	0.652	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.3	0.1	179.9	-63.6	-37.3	0	0	0	113.6	A309 I311	A309-N313 VanDerWaalsContact O-CB 3.22Å; A309-N313 WeakPolarHBondContact O-CB 3.3Å; A309-N313 PolarHBondContact O-N 2.74Å; A309-N313 PolarHBondContact O-ND2 2.74Å; A309-N313 VanDerWaalsContact O-ND2 3.17Å; I311-N313 VanDerWaalsContact C-N 3.28Å; I311-N313 PolarHBondContact O-N 3.42Å
314	H	98.5	Very high	96.3	Very high	11 Å²	11	51.5 Å²	51.5	5%	0.051	29%	0.287	C	S	.	.	S	Bend	trans	-62.6	144.7	178.2	-171.5	-96.3	0	0	0	111.2	E284 D287 L288 Y301 I311 W316 F317 G318	E284-H314 PolarHBondContact O-CE1 2.77Å; E284-H314 VanDerWaalsContact O-CE1 3.23Å; D287-H314 IonicContact OD2-CE1 2.73Å; D287-H314 IonicContact OD2-NE2 2.76Å; D287-H314 PolarHBondContact OD2-NE2 2.96Å; D287-H314 VanDerWaalsContact OD2-NE2 3.08Å; L288-H314 HydrophobicContact CD1-CB 4.02Å; L288-H314 PolarHBondContact N-CE1 3.13Å; Y301-H314 AromaticContact CE2-CD2 3.81Å; I311-H314 VanDerWaalsContact O-CB 3.23Å; I311-H314 WeakPolarHBondContact O-CB 3.4Å; I311-H314 PolarHBondContact O-N 2.76Å; I311-H314 VanDerWaalsContact O-N 3.1Å; H314-W316 WeakPolarHBondContact ND1-CB 3.46Å; H314-W316 PolarHBondContact ND1-N 3.41Å; H314-W316 VanDerWaalsContact ND1-N 3.11Å; H314-W316 PolarHBondContact O-N 3.34Å; H314-W316 VanDerWaalsContact O-N 3.08Å; H314-F317 CarbonylContact O-C 3.45Å; H314-F317 WeakPolarHBondContact O-CA 3.23Å; H314-F317 PolarHBondContact O-N 3.42Å; H314-G318 PolarHBondContact O-N 3.4Å
315	K	98.2	Very high	96.2	Very high	159 Å²	159	49.2 Å²	49.2	69%	0.691	28%	0.275	S	S	*	.	G	3₁₀ helix	trans	-55.7	-32.7	-177	-68.1	178.5	-177.3	170.4	0	113.3	E284 F317 G318	E284-K315 HydrophobicContact CG-CB 4.08Å; K315-F317 VanDerWaalsContact C-N 3.25Å; K315-F317 PolarHBondContact O-N 3.18Å; K315-G318 PolarHBondContact O-N 3.16Å
316	W	98.6	Very high	96.2	Very high	4 Å²	4	42.7 Å²	42.7	2%	0.015	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-62.7	-31.1	176.3	-168.7	77.4	0	0	0	112.7	E160 R164 A167 I248 E284 L285 L288 H314 G318	E160-W316 HydrophobicContact CB-CZ2 4.36Å; E160-W316 PolarHBondContact OE2-NE1 3.43Å; R164-W316 HydrophobicContact CB-CE3 4.36Å; R164-W316 HydrophobicContact CB-CH2 3.59Å; R164-W316 HydrophobicContact CB-CZ2 3.93Å; R164-W316 HydrophobicContact CB-CZ3 3.8Å; R164-W316 WeakPolarHBondContact CD-O 3.34Å; R164-W316 HydrophobicContact CG-CE3 4.17Å; R164-W316 HydrophobicContact CG-CH2 4.26Å; R164-W316 HydrophobicContact CG-CZ3 3.95Å; R164-W316 VanDerWaalsContact N-CH2 3.35Å; R164-W316 PolarHBondContact NE-O 2.88Å; A167-W316 HydrophobicContact CB-CH2 4.43Å; A167-W316 HydrophobicContact CB-CZ3 4.17Å; I248-W316 HydrophobicContact CD1-CZ3 4.31Å; I248-W316 HydrophobicContact CG2-CH2 3.95Å; I248-W316 HydrophobicContact CG2-CZ2 4.32Å; I248-W316 HydrophobicContact CG2-CZ3 4.44Å; E284-W316 HydrophobicContact CB-CB 4.04Å; E284-W316 HydrophobicContact CB-CG 4.47Å; L285-W316 HydrophobicContact CD1-CD2 4.44Å; L285-W316 HydrophobicContact CD1-CZ2 3.99Å; L288-W316 HydrophobicContact CB-CB 4.27Å; L288-W316 HydrophobicContact CD2-CB 4.1Å; L288-W316 HydrophobicContact CD2-CD2 3.88Å; L288-W316 HydrophobicContact CD2-CE3 3.39Å; L288-W316 HydrophobicContact CD2-CG 4.21Å; L288-W316 HydrophobicContact CD2-CZ3 4Å; H314-W316 WeakPolarHBondContact ND1-CB 3.46Å; H314-W316 PolarHBondContact ND1-N 3.41Å; H314-W316 VanDerWaalsContact ND1-N 3.11Å; H314-W316 PolarHBondContact O-N 3.34Å; H314-W316 VanDerWaalsContact O-N 3.08Å; W316-G318 VanDerWaalsContact C-N 3.33Å
317	F	98.4	Very high	96.3	Very high	3 Å²	3	42.4 Å²	42.4	1%	0.013	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-91.6	11.9	171.1	-71.7	-73.4	0	0	0	112.9	R164 A167 A168 V171 L288 I311 H314 K315 S319 T320 W322	R164-F317 HydrophobicContact CG-CD1 3.7Å; R164-F317 HydrophobicContact CG-CE1 3.94Å; A167-F317 HydrophobicContact CB-CE1 4.13Å; A167-F317 HydrophobicContact CB-CZ 3.91Å; A168-F317 HydrophobicContact CB-CD1 4.4Å; A168-F317 HydrophobicContact CB-CE1 4.02Å; V171-F317 HydrophobicContact CG2-CZ 4.25Å; L288-F317 HydrophobicContact CD2-CD2 4.27Å; L288-F317 HydrophobicContact CD2-CE2 3.77Å; I311-F317 HydrophobicContact CG2-CD2 4.36Å; I311-F317 HydrophobicContact CG2-CE2 3.79Å; I311-F317 VanDerWaalsContact O-CD2 3.29Å; I311-F317 WeakPolarHBondContact O-CD2 3.48Å; H314-F317 CarbonylContact O-C 3.45Å; H314-F317 WeakPolarHBondContact O-CA 3.23Å; H314-F317 PolarHBondContact O-N 3.42Å; K315-F317 VanDerWaalsContact C-N 3.25Å; K315-F317 PolarHBondContact O-N 3.18Å; F317-S319 PolarHBondContact O-N 2.83Å; F317-T320 HydrophobicContact CD1-CG2 4.44Å; F317-T320 WeakPolarHBondContact O-CB 3.49Å; F317-T320 PolarHBondContact O-N 3.49Å; F317-T320 PolarHBondContact O-OG1 2.76Å; F317-W322 HydrophobicContact CB-CZ2 3.77Å; F317-W322 AromaticContact CD1-CH2 3.73Å; F317-W322 HydrophobicContact CD1-CH2 3.73Å; F317-W322 AromaticContact CD1-CZ2 3.82Å; F317-W322 HydrophobicContact CD1-CZ2 3.82Å; F317-W322 HydrophobicContact CD2-CH2 4.41Å; F317-W322 HydrophobicContact CD2-CZ2 4.34Å; F317-W322 AromaticContact CE1-CH2 3.93Å; F317-W322 HydrophobicContact CE1-CH2 3.93Å; F317-W322 HydrophobicContact CE1-CZ2 4.47Å; F317-W322 AromaticContact CG-CH2 3.99Å; F317-W322 HydrophobicContact CG-CH2 3.99Å; F317-W322 AromaticContact CG-CZ2 3.74Å; F317-W322 HydrophobicContact CG-CZ2 3.74Å; F317-W322 HydrophobicContact CZ-CH2 4.34Å
318	G	95.5	Very high	96.2	Very high	54 Å²	54	45 Å²	45	56%	0.557	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63	-17.8	-171.7	0	0	0	0	0	115.5	H314 K315 W316	H314-G318 PolarHBondContact O-N 3.4Å; K315-G318 PolarHBondContact O-N 3.16Å; W316-G318 VanDerWaalsContact C-N 3.33Å
319	S	92.5	Very high	96	Very high	97 Å²	97	50.5 Å²	50.5	68%	0.678	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.3	6.3	174.2	68.8	0	0	0	0	113.5	F317	F317-S319 PolarHBondContact O-N 2.83Å
320	T	95.8	Very high	95.7	Very high	13 Å²	13	51.7 Å²	51.7	8%	0.08	27%	0.269	C	S	.	.			trans	-86.5	122.9	-174.3	-64.8	0	0	0	0	110.7	R164 A168 F317 W322 I325	R164-T320 WeakPolarHBondContact CD-OG1 3.38Å; A168-T320 HydrophobicContact CB-CG2 3.84Å; F317-T320 HydrophobicContact CD1-CG2 4.44Å; F317-T320 WeakPolarHBondContact O-CB 3.49Å; F317-T320 PolarHBondContact O-N 3.49Å; F317-T320 PolarHBondContact O-OG1 2.76Å; T320-W322 HydrophobicContact CG2-CD2 3.88Å; T320-W322 HydrophobicContact CG2-CE3 4.18Å; T320-W322 HydrophobicContact CG2-CG 4.34Å; T320-W322 HydrophobicContact CG2-CH2 4.28Å; T320-W322 HydrophobicContact CG2-CZ2 3.97Å; T320-W322 HydrophobicContact CG2-CZ3 4.39Å; T320-W322 PolarHBondContact O-N 2.94Å; T320-I325 HydrophobicContact CG2-CD1 3.6Å
321	D	94.7	Very high	95	Very high	50 Å²	50	55 Å²	55	27%	0.267	29%	0.291	S	S	.	.			trans	-91.5	97.1	167.5	-173.1	-13.8	0	0	0	110.7	Y26 I323 A324 I325 I330	Y26-D321 VanDerWaalsContact OH-CA 3.23Å; Y26-D321 WeakPolarHBondContact OH-CA 3.48Å; Y26-D321 VanDerWaalsContact OH-CB 3.29Å; Y26-D321 WeakPolarHBondContact OH-CB 3.36Å; Y26-D321 PolarHBondContact OH-OD1 3.32Å; Y26-D321 PolarHBondContact OH-OD2 3.25Å; D321-I323 VanDerWaalsContact C-N 3.32Å; D321-I323 PolarHBondContact O-N 3.46Å; D321-I323 PolarHBondContact OD1-N 2.96Å; D321-I323 VanDerWaalsContact OD1-N 3.16Å; D321-A324 HydrophobicContact CB-CB 3.85Å; D321-A324 PolarHBondContact O-N 3.08Å; D321-A324 PolarHBondContact OD1-N 2.8Å; D321-A324 VanDerWaalsContact OD1-N 3.11Å; D321-A324 WeakPolarHBondContact OD2-CB 3.34Å; D321-I325 WeakPolarHBondContact O-CG1 3.37Å; D321-I325 PolarHBondContact O-N 2.86Å; D321-I330 HydrophobicContact CB-CD1 4.44Å
322	W	95.5	Very high	94	Very high	10 Å²	10	55.2 Å²	55.2	4%	0.038	29%	0.292	C	S	.	.	H	α-helix	trans	-60.1	-37.5	-177.1	-62.6	101.9	0	0	0	113.5	Y31 A168 V171 L172 K312 F317 T320 Y326	Y31-W322 HydrophobicContact CE2-CB 4.38Å; Y31-W322 WeakPolarHBondContact OH-CB 3.45Å; A168-W322 HydrophobicContact CB-CE3 4.32Å; A168-W322 HydrophobicContact CB-CH2 4.04Å; A168-W322 HydrophobicContact CB-CZ3 3.69Å; A168-W322 WeakPolarHBondContact O-CZ3 3.38Å; V171-W322 HydrophobicContact CB-CH2 4.14Å; V171-W322 HydrophobicContact CB-CZ3 3.89Å; V171-W322 HydrophobicContact CG1-CH2 3.89Å; V171-W322 HydrophobicContact CG1-CZ3 3.73Å; V171-W322 HydrophobicContact CG2-CH2 4.49Å; L172-W322 HydrophobicContact CD1-CE3 4.16Å; L172-W322 HydrophobicContact CD2-CE3 3.94Å; L172-W322 HydrophobicContact CG-CE3 3.86Å; L172-W322 HydrophobicContact CG-CZ3 4.25Å; K312-W322 VanDerWaalsContact CA-CZ2 3.43Å; K312-W322 HydrophobicContact CB-CD2 4.47Å; K312-W322 HydrophobicContact CB-CH2 4.28Å; K312-W322 HydrophobicContact CB-CZ2 3.67Å; K312-W322 HydrophobicContact CD-CD2 4.46Å; K312-W322 HydrophobicContact CD-CE3 4.49Å; K312-W322 HydrophobicContact CG-CD2 4.16Å; K312-W322 HydrophobicContact CG-CE3 4.24Å; K312-W322 HydrophobicContact CG-CH2 3.73Å; K312-W322 HydrophobicContact CG-CZ2 3.63Å; K312-W322 HydrophobicContact CG-CZ3 4.02Å; K312-W322 WeakPolarHBondContact O-CZ2 3.46Å; K312-W322 PolarHBondContact O-NE1 2.86Å; F317-W322 HydrophobicContact CB-CZ2 3.77Å; F317-W322 AromaticContact CD1-CH2 3.73Å; F317-W322 HydrophobicContact CD1-CH2 3.73Å; F317-W322 AromaticContact CD1-CZ2 3.82Å; F317-W322 HydrophobicContact CD1-CZ2 3.82Å; F317-W322 HydrophobicContact CD2-CH2 4.41Å; F317-W322 HydrophobicContact CD2-CZ2 4.34Å; F317-W322 AromaticContact CE1-CH2 3.93Å; F317-W322 HydrophobicContact CE1-CH2 3.93Å; F317-W322 HydrophobicContact CE1-CZ2 4.47Å; F317-W322 AromaticContact CG-CH2 3.99Å; F317-W322 HydrophobicContact CG-CH2 3.99Å; F317-W322 AromaticContact CG-CZ2 3.74Å; F317-W322 HydrophobicContact CG-CZ2 3.74Å; F317-W322 HydrophobicContact CZ-CH2 4.34Å; T320-W322 HydrophobicContact CG2-CD2 3.88Å; T320-W322 HydrophobicContact CG2-CE3 4.18Å; T320-W322 HydrophobicContact CG2-CG 4.34Å; T320-W322 HydrophobicContact CG2-CH2 4.28Å; T320-W322 HydrophobicContact CG2-CZ2 3.97Å; T320-W322 HydrophobicContact CG2-CZ3 4.39Å; T320-W322 PolarHBondContact O-N 2.94Å; W322-Y326 WeakPolarHBondContact O-CB 3.37Å; W322-Y326 PolarHBondContact O-N 3.06Å
323	I	94	Very high	92.7	Very high	65 Å²	65	56.6 Å²	56.6	33%	0.333	30%	0.302	S	S	.	.	H	α-helix	trans	-72.1	-45.9	178.5	-76.4	160.1	0	0	0	109.9	Y31 D321 I325 Y326 Q327	Y31-I323 HydrophobicContact CD2-CD1 3.47Å; Y31-I323 VanDerWaalsContact CD2-CD1 3.47Å; Y31-I323 HydrophobicContact CD2-CG1 4.07Å; Y31-I323 HydrophobicContact CE2-CD1 3.71Å; Y31-I323 HydrophobicContact CE2-CG1 3.75Å; D321-I323 VanDerWaalsContact C-N 3.32Å; D321-I323 PolarHBondContact O-N 3.46Å; D321-I323 PolarHBondContact OD1-N 2.96Å; D321-I323 VanDerWaalsContact OD1-N 3.16Å; I323-I325 VanDerWaalsContact C-N 3.28Å; I323-I325 PolarHBondContact O-N 2.82Å; I323-Y326 PolarHBondContact O-N 3.45Å; I323-Q327 HydrophobicContact CG2-CG 4.18Å; I323-Q327 WeakPolarHBondContact O-CB 3.39Å; I323-Q327 WeakPolarHBondContact O-CG 3.45Å; I323-Q327 PolarHBondContact O-N 2.58Å
324	A	94.1	Very high	90.8	Very high	10 Å²	10	53.6 Å²	53.6	8%	0.083	29%	0.291	C	S	.	.	H	α-helix	trans	-64.4	-36.1	-179.6	0	0	0	0	0	111.6	D321 K328 K329 I330	D321-A324 HydrophobicContact CB-CB 3.85Å; D321-A324 PolarHBondContact O-N 3.08Å; D321-A324 PolarHBondContact OD1-N 2.8Å; D321-A324 VanDerWaalsContact OD1-N 3.11Å; D321-A324 WeakPolarHBondContact OD2-CB 3.34Å; A324-K328 PolarHBondContact O-N 2.85Å; A324-K329 HydrophobicContact CB-CB 4.22Å; A324-K329 PolarHBondContact O-N 3.32Å; A324-I330 HydrophobicContact CB-CD1 3.51Å; A324-I330 HydrophobicContact CB-CG1 3.66Å; A324-I330 PolarHBondContact O-N 2.74Å
325	I	95.4	Very high	88.4	Confident	6 Å²	6	56.5 Å²	56.5	3%	0.031	30%	0.304	C	S	.	.	H	α-helix	trans	-62.1	-54.2	171.8	-70.8	-178.4	0	0	0	109.9	F122 A168 Q169 L172 T320 D321 I323 Q327 K328 I330	F122-I325 HydrophobicContact CE2-CG2 4.13Å; F122-I325 HydrophobicContact CZ-CG2 3.83Å; F122-I325 WeakPolarHBondContact CZ-O 3.14Å; A168-I325 HydrophobicContact CB-CD1 3.47Å; A168-I325 VanDerWaalsContact CB-CD1 3.47Å; Q169-I325 HydrophobicContact CG-CG2 3.61Å; L172-I325 HydrophobicContact CD1-CB 4.34Å; L172-I325 HydrophobicContact CD1-CG2 3.86Å; T320-I325 HydrophobicContact CG2-CD1 3.6Å; D321-I325 WeakPolarHBondContact O-CG1 3.37Å; D321-I325 PolarHBondContact O-N 2.86Å; I323-I325 VanDerWaalsContact C-N 3.28Å; I323-I325 PolarHBondContact O-N 2.82Å; I325-Q327 VanDerWaalsContact C-N 3.26Å; I325-Q327 PolarHBondContact O-N 3.43Å; I325-K328 WeakPolarHBondContact O-CA 3.48Å; I325-K328 PolarHBondContact O-N 3.03Å; I325-I330 HydrophobicContact CG1-CB 4.25Å; I325-I330 HydrophobicContact CG1-CG1 3.72Å
326	Y	95.1	Very high	85.5	Confident	73 Å²	73	53.6 Å²	53.6	29%	0.286	30%	0.303	S	S	.	.	H	α-helix	trans	-53.1	-43	179.2	173.5	-103.4	0	0	0	112.7	F38 F120 P121 W322 I323 K328	F38-Y326 HydrophobicContact CE1-CE2 4.43Å; F38-Y326 HydrophobicContact CE2-CE2 4.34Å; F38-Y326 AromaticContact CE2-CZ 3.75Å; F38-Y326 WeakPolarHBondContact CE2-OH 3.46Å; F38-Y326 AromaticContact CZ-CE2 3.91Å; F38-Y326 HydrophobicContact CZ-CE2 3.91Å; F38-Y326 AromaticContact CZ-CZ 3.81Å; F38-Y326 WeakPolarHBondContact CZ-OH 3.24Å; F120-Y326 HydrophobicContact CD2-CE2 4.24Å; F120-Y326 AromaticContact CE2-CD2 3.99Å; F120-Y326 HydrophobicContact CE2-CD2 3.99Å; F120-Y326 AromaticContact CE2-CE2 3.53Å; F120-Y326 HydrophobicContact CE2-CE2 3.53Å; F120-Y326 AromaticContact CZ-CD2 3.81Å; F120-Y326 HydrophobicContact CZ-CD2 3.81Å; F120-Y326 AromaticContact CZ-CE2 3.83Å; F120-Y326 HydrophobicContact CZ-CE2 3.83Å; P121-Y326 HydrophobicContact CG-CD2 4.2Å; P121-Y326 HydrophobicContact CG-CE2 3.67Å; W322-Y326 WeakPolarHBondContact O-CB 3.37Å; W322-Y326 PolarHBondContact O-N 3.06Å; I323-Y326 PolarHBondContact O-N 3.45Å; Y326-K328 PolarHBondContact O-N 2.95Å
327	Q	94.7	Very high	82.8	Confident	95 Å²	95	64.3 Å²	64.3	44%	0.444	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	5.9	179	-66.3	-179.4	-12.4	0	0	113.9	I323 I325 K329	I323-Q327 HydrophobicContact CG2-CG 4.18Å; I323-Q327 WeakPolarHBondContact O-CB 3.39Å; I323-Q327 WeakPolarHBondContact O-CG 3.45Å; I323-Q327 PolarHBondContact O-N 2.58Å; I325-Q327 VanDerWaalsContact C-N 3.26Å; I325-Q327 PolarHBondContact O-N 3.43Å; Q327-K329 HydrophobicContact CB-CD 3.98Å; Q327-K329 HydrophobicContact CB-CG 3.92Å; Q327-K329 PolarHBondContact O-N 3.25Å; Q327-K329 VanDerWaalsContact OE1-CE 3.24Å
328	K	93.6	Very high	80.2	Confident	74 Å²	74	67.1 Å²	67.1	32%	0.322	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.3	32.8	-173.4	-59.5	-166.7	172.4	-166.6	0	114.3	F122 D195 Y199 A324 I325 Y326	F122-K328 HydrophobicContact CE1-CG 4.26Å; D195-K328 IonicContact OD2-NZ 3.33Å; D195-K328 PolarHBondContact OD2-NZ 3.48Å; Y199-K328 HydrophobicContact CD1-CB 4.43Å; Y199-K328 HydrophobicContact CD1-CD 4.23Å; Y199-K328 HydrophobicContact CD1-CG 3.84Å; Y199-K328 HydrophobicContact CD2-CB 4.41Å; Y199-K328 HydrophobicContact CD2-CD 4.34Å; Y199-K328 HydrophobicContact CD2-CG 4.4Å; Y199-K328 HydrophobicContact CE1-CB 4.03Å; Y199-K328 HydrophobicContact CE1-CG 3.83Å; Y199-K328 HydrophobicContact CE2-CB 4.02Å; Y199-K328 HydrophobicContact CE2-CG 4.41Å; Y199-K328 HydrophobicContact CG-CD 4.05Å; Y199-K328 HydrophobicContact CG-CG 4.12Å; Y199-K328 VanDerWaalsContact CZ-CA 3.45Å; Y199-K328 VanDerWaalsContact OH-C 3.23Å; Y199-K328 VanDerWaalsContact OH-CA 3.3Å; Y199-K328 WeakPolarHBondContact OH-CA 3.36Å; A324-K328 PolarHBondContact O-N 2.85Å; I325-K328 WeakPolarHBondContact O-CA 3.48Å; I325-K328 PolarHBondContact O-N 3.03Å; Y326-K328 PolarHBondContact O-N 2.95Å
329	K	92.6	Very high	77.8	Confident	144 Å²	144	70.6 Å²	70.6	63%	0.626	38%	0.381	S	S	*	.			trans	-93.6	-9.6	-179	-70.4	-179.1	179.9	169.6	0	114.1	A324 Q327	A324-K329 HydrophobicContact CB-CB 4.22Å; A324-K329 PolarHBondContact O-N 3.32Å; Q327-K329 HydrophobicContact CB-CD 3.98Å; Q327-K329 HydrophobicContact CB-CG 3.92Å; Q327-K329 PolarHBondContact O-N 3.25Å; Q327-K329 VanDerWaalsContact OE1-CE 3.24Å
330	I	89.9	Confident	75.4	Confident	56 Å²	56	71.7 Å²	71.7	29%	0.287	39%	0.389	S	S	.	.	S	Bend	trans	-81.3	122.9	172.6	-63.8	-56.7	0	0	0	108.4	F165 Y199 D321 A324 I325 P332	F165-I330 HydrophobicContact CD2-CG2 4.07Å; F165-I330 HydrophobicContact CE2-CB 4.24Å; F165-I330 HydrophobicContact CE2-CG2 3.88Å; Y199-I330 WeakPolarHBondContact CE2-O 3.47Å; Y199-I330 PolarHBondContact OH-N 2.69Å; Y199-I330 VanDerWaalsContact OH-N 3.13Å; Y199-I330 PolarHBondContact OH-O 3.27Å; D321-I330 HydrophobicContact CB-CD1 4.44Å; A324-I330 HydrophobicContact CB-CD1 3.51Å; A324-I330 HydrophobicContact CB-CG1 3.66Å; A324-I330 PolarHBondContact O-N 2.74Å; I325-I330 HydrophobicContact CG1-CB 4.25Å; I325-I330 HydrophobicContact CG1-CG1 3.72Å; I330-P332 WeakPolarHBondContact O-CD 3.48Å
331	T	83.8	Confident	73.3	Confident	98 Å²	98	76.7 Å²	76.7	60%	0.601	42%	0.415	S	S	*	.			trans	-65.6	123.8	162.8	-50.9	0	0	0	0	107.4	Y349	T331-Y349 VanDerWaalsContact CG2-OH 3.3Å; T331-Y349 WeakPolarHBondContact CG2-OH 3.3Å
332	P	78.8	Confident	71.5	Confident	3 Å²	3	76.6 Å²	76.6	2%	0.019	43%	0.426	C	S	.	.			trans	-44.4	139.5	170.7	-27.2	29.4	0	0	0	110.7	F165 T197 I330 S334 L348 Y349	F165-P332 HydrophobicContact CD1-CB 4.49Å; F165-P332 HydrophobicContact CE1-CB 3.95Å; F165-P332 HydrophobicContact CE1-CG 3.97Å; F165-P332 HydrophobicContact CZ-CB 4.13Å; F165-P332 HydrophobicContact CZ-CG 3.83Å; T197-P332 WeakPolarHBondContact O-CG 3.26Å; I330-P332 WeakPolarHBondContact O-CD 3.48Å; P332-S334 VanDerWaalsContact C-N 3.33Å; P332-S334 PolarHBondContact O-N 3.28Å; P332-L348 HydrophobicContact CB-CB 4.27Å; P332-L348 HydrophobicContact CB-CD1 4.07Å; P332-L348 HydrophobicContact CB-CD2 3.97Å; P332-L348 HydrophobicContact CB-CG 4.35Å; P332-Y349 HydrophobicContact CB-CE2 4.44Å; P332-Y349 WeakPolarHBondContact CD-OH 3.33Å; P332-Y349 HydrophobicContact CG-CE2 4.5Å
333	P	70	Confident	69.9	Low	41 Å²	41	84.3 Å²	84.3	27%	0.266	46%	0.455	S	S	.	.			trans	-57.1	85.5	-172.5	-25.3	33.7	0	0	0	114.1	P161 H162 F165 L348	P161-P333 HydrophobicContact CB-CB 4.36Å; P161-P333 HydrophobicContact CB-CG 4.46Å; H162-P333 PolarHBondContact CE1-O 3.22Å; H162-P333 PolarHBondContact NE2-O 2.82Å; F165-P333 HydrophobicContact CB-CG 4.14Å; P333-L348 VanDerWaalsContact C-CD1 3.49Å; P333-L348 WeakPolarHBondContact O-CD1 3.49Å
334	S	57.8	Low	68.3	Low	60 Å²	60	81.9 Å²	81.9	42%	0.42	44%	0.443	S	S	.	.			trans	-74.6	144.7	-177.5	-173.4	0	0	0	0	111.3	P332 S336	P332-S334 VanDerWaalsContact C-N 3.33Å; P332-S334 PolarHBondContact O-N 3.28Å; S334-S336 PolarHBondContact O-N 3.01Å; S334-S336 VanDerWaalsContact O-N 3.11Å
335	F	47	Very low	66.5	Low	72 Å²	72	85.9 Å²	85.9	32%	0.316	46%	0.459	S	S	.	.			trans	-64.1	112.4	156.6	-72	-64.9	0	0	0	106.7	K337 E339 L344	F335-K337 PolarHBondContact O-N 2.74Å; F335-E339 HydrophobicContact CB-CB 4.26Å; F335-E339 HydrophobicContact CD1-CB 4.18Å; F335-E339 WeakPolarHBondContact CD1-OE2 3.34Å; F335-E339 VanDerWaalsContact CE1-OE2 3.3Å; F335-E339 WeakPolarHBondContact CE1-OE2 3.39Å; F335-E339 HydrophobicContact CG-CB 4.26Å; F335-L344 HydrophobicContact CD2-CB 4.18Å; F335-L344 HydrophobicContact CD2-CD2 3.95Å; F335-L344 HydrophobicContact CE1-CD2 4.44Å; F335-L344 HydrophobicContact CE2-CB 3.55Å; F335-L344 HydrophobicContact CE2-CD2 3.1Å; F335-L344 HydrophobicContact CE2-CG 3.9Å; F335-L344 HydrophobicContact CZ-CD2 3.38Å
336	S	38	Very low	64.8	Low	97 Å²	97	87.6 Å²	87.6	68%	0.678	47%	0.467	S	S	*	.			trans	-37.2	137.1	161.4	43.5	0	0	0	0	110	S334 G338	S334-S336 PolarHBondContact O-N 3.01Å; S334-S336 VanDerWaalsContact O-N 3.11Å; S336-G338 PolarHBondContact O-N 2.71Å
337	K	41.7	Very low	63.3	Low	229 Å²	229	84.2 Å²	84.2	100%	0.996	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-42.4	12.6	-166.4	-74.9	-175.3	174	-178.8	0	120.4	F335	F335-K337 PolarHBondContact O-N 2.74Å
338	G	43.7	Very low	62	Low	62 Å²	62	79.8 Å²	79.8	64%	0.639	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.7	-4.9	-178.3	0	0	0	0	0	117.5	S336	S336-G338 PolarHBondContact O-N 2.71Å
339	E	44.1	Very low	61	Low	127 Å²	127	79.2 Å²	79.2	59%	0.593	43%	0.429	S	S	*	.			trans	-104.1	105.8	-178.1	-74.1	-175.2	168.7	0	0	113.1	F335 N341	F335-E339 HydrophobicContact CB-CB 4.26Å; F335-E339 HydrophobicContact CD1-CB 4.18Å; F335-E339 WeakPolarHBondContact CD1-OE2 3.34Å; F335-E339 VanDerWaalsContact CE1-OE2 3.3Å; F335-E339 WeakPolarHBondContact CE1-OE2 3.39Å; F335-E339 HydrophobicContact CG-CB 4.26Å; E339-N341 PolarHBondContact O-N 2.8Å
340	S	43.3	Very low	60.1	Low	121 Å²	121	72.6 Å²	72.6	85%	0.846	40%	0.401	S	S	*	.			trans	-69.6	32.3	-172.4	-38.7	0	0	0	0	116.2	G342	S340-G342 PolarHBondContact O-N 3.1Å
341	N	51.5	Low	59.5	Low	118 Å²	118	77.4 Å²	77.4	63%	0.631	42%	0.415	S	S	*	.			trans	-97.4	75.4	168.7	-86	-10.2	0	0	0	109.8	E339 R343 L344	E339-N341 PolarHBondContact O-N 2.8Å; N341-R343 PolarHBondContact O-N 2.81Å; N341-L344 PolarHBondContact O-N 3.09Å; N341-L344 VanDerWaalsContact O-N 3.15Å
342	G	56.4	Low	59.2	Low	48 Å²	48	74.7 Å²	74.7	50%	0.495	40%	0.399	S	S	.	.	H	α-helix	trans	-51.7	-19	179.5	0	0	0	0	0	114.9	S340 E346	S340-G342 PolarHBondContact O-N 3.1Å; G342-E346 PolarHBondContact O-N 2.89Å
343	R	62.9	Low	59.4	Low	171 Å²	171	80.8 Å²	80.8	65%	0.645	43%	0.431	S	S	*	.	H	α-helix	trans	-62.3	-42.5	176.9	-62.5	-173.1	-177.2	-173.6	1.6	113.9	I155 N341	I155-R343 WeakPolarHBondContact CD1-O 3.04Å; I155-R343 HydrophobicContact CG1-CB 4.23Å; I155-R343 WeakPolarHBondContact CG1-O 3.2Å; N341-R343 PolarHBondContact O-N 2.81Å
344	L	61	Low	60.1	Low	15 Å²	15	80.1 Å²	80.1	8%	0.079	43%	0.432	C	S	.	.	H	α-helix	trans	-77.9	-37.9	-178	-162.9	69.2	0	0	0	111.7	I155 F158 H162 F335 N341 E346 A347 L348	I155-L344 HydrophobicContact CD1-CD1 3.95Å; I155-L344 HydrophobicContact CG2-CD1 3.9Å; F158-L344 HydrophobicContact CD1-CD1 4.43Å; H162-L344 VanDerWaalsContact CE1-CD2 3.41Å; H162-L344 WeakPolarHBondContact CE1-CD2 3.34Å; H162-L344 WeakPolarHBondContact NE2-CD2 3.33Å; H162-L344 WeakPolarHBondContact NE2-CG 3.32Å; F335-L344 HydrophobicContact CD2-CB 4.18Å; F335-L344 HydrophobicContact CD2-CD2 3.95Å; F335-L344 HydrophobicContact CE1-CD2 4.44Å; F335-L344 HydrophobicContact CE2-CB 3.55Å; F335-L344 HydrophobicContact CE2-CD2 3.1Å; F335-L344 HydrophobicContact CE2-CG 3.9Å; F335-L344 HydrophobicContact CZ-CD2 3.38Å; N341-L344 PolarHBondContact O-N 3.09Å; N341-L344 VanDerWaalsContact O-N 3.15Å; L344-E346 PolarHBondContact O-N 2.69Å; L344-A347 PolarHBondContact O-N 2.86Å; L344-A347 VanDerWaalsContact O-N 3.07Å; L344-L348 PolarHBondContact O-N 3.25Å
345	F	56.2	Low	61.3	Low	94 Å²	94	81.7 Å²	81.7	41%	0.412	44%	0.44	S	S	.	.	H	α-helix	trans	-54.4	-42.4	175.4	179.6	-92.8	0	0	0	110.9	A347 L348 Y349	F345-A347 VanDerWaalsContact C-N 3.34Å; F345-A347 PolarHBondContact O-N 3.36Å; F345-L348 PolarHBondContact O-N 2.82Å; F345-Y349 HydrophobicContact CE2-CD2 4.1Å; F345-Y349 HydrophobicContact CZ-CD2 4.35Å; F345-Y349 PolarHBondContact O-N 3.44Å
346	E	58.7	Low	63.2	Low	42 Å²	42	79.9 Å²	79.9	20%	0.196	44%	0.439	C	S	.	.	H	α-helix	trans	-71.7	-22.9	179.9	-158	-171.8	151	0	0	114.2	R154 G342 L344 Y349 P350 R351 H360	R154-E346 IonicContact CZ-OE1 2.84Å; R154-E346 IonicContact CZ-OE2 2.62Å; R154-E346 VanDerWaalsContact CZ-OE2 3.31Å; R154-E346 IonicContact NH1-OE1 3.78Å; R154-E346 PolarHBondContact NH1-OE1 3.23Å; R154-E346 IonicContact NH1-OE2 3.05Å; R154-E346 PolarHBondContact NH1-OE2 2.62Å; R154-E346 IonicContact NH2-OE1 3.01Å; R154-E346 PolarHBondContact NH2-OE1 3.2Å; R154-E346 IonicContact NH2-OE2 3.43Å; R154-E346 PolarHBondContact NH2-OE2 2.58Å; G342-E346 PolarHBondContact O-N 2.89Å; L344-E346 PolarHBondContact O-N 2.69Å; E346-Y349 CarbonylContact O-C 3.56Å; E346-P350 VanDerWaalsContact O-CA 3.24Å; E346-P350 WeakPolarHBondContact O-CA 3.25Å; E346-P350 VanDerWaalsContact O-N 3.16Å; E346-R351 HydrophobicContact CG-CG 4.44Å; E346-H360 IonicContact OE1-CE1 2.7Å; E346-H360 PolarHBondContact OE1-CE1 2.87Å
347	A	63.4	Low	65.4	Low	1 Å²	1	76.1 Å²	76.1	1%	0.008	41%	0.411	C	S	.	.	H	α-helix	trans	-76.3	-27.8	170.1	0	0	0	0	0	113.2	H151 I155 F158 Y166 I194 L344 F345	H151-A347 HydrophobicContact CB-CB 3.89Å; I155-A347 HydrophobicContact CD1-CB 3.13Å; F158-A347 HydrophobicContact CE1-CB 4.21Å; Y166-A347 PolarHBondContact OH-O 2.91Å; I194-A347 WeakPolarHBondContact CD1-O 3.37Å; L344-A347 PolarHBondContact O-N 2.86Å; L344-A347 VanDerWaalsContact O-N 3.07Å; F345-A347 VanDerWaalsContact C-N 3.34Å; F345-A347 PolarHBondContact O-N 3.36Å
348	L	67.1	Low	67.4	Low	2 Å²	2	66.5 Å²	66.5	1%	0.01	37%	0.372	C	S	.	.	H	α-helix	trans	-84.1	-35.5	174.4	-71.7	-170.7	0	0	0	112.9	H162 Y166 G198 P332 P333 L344 F345	H162-L348 WeakPolarHBondContact CD2-CD2 3.23Å; H162-L348 WeakPolarHBondContact NE2-CD1 3.49Å; Y166-L348 HydrophobicContact CE2-CD2 4.31Å; Y166-L348 WeakPolarHBondContact OH-CD2 3.34Å; G198-L348 WeakPolarHBondContact CA-O 3.41Å; P332-L348 HydrophobicContact CB-CB 4.27Å; P332-L348 HydrophobicContact CB-CD1 4.07Å; P332-L348 HydrophobicContact CB-CD2 3.97Å; P332-L348 HydrophobicContact CB-CG 4.35Å; P333-L348 VanDerWaalsContact C-CD1 3.49Å; P333-L348 WeakPolarHBondContact O-CD1 3.49Å; L344-L348 PolarHBondContact O-N 3.25Å; F345-L348 PolarHBondContact O-N 2.82Å
349	Y	73	Confident	69.4	Low	62 Å²	62	69 Å²	69	24%	0.243	36%	0.362	C	S	.	.	S	Bend	trans	-131	84.2	176.7	-68	-81.8	0	0	0	107.2	T197 T331 P332 F345 E346 R351	T197-Y349 WeakPolarHBondContact O-CE1 3.09Å; T331-Y349 VanDerWaalsContact CG2-OH 3.3Å; T331-Y349 WeakPolarHBondContact CG2-OH 3.3Å; P332-Y349 HydrophobicContact CB-CE2 4.44Å; P332-Y349 WeakPolarHBondContact CD-OH 3.33Å; P332-Y349 HydrophobicContact CG-CE2 4.5Å; F345-Y349 HydrophobicContact CE2-CD2 4.1Å; F345-Y349 HydrophobicContact CZ-CD2 4.35Å; F345-Y349 PolarHBondContact O-N 3.44Å; E346-Y349 CarbonylContact O-C 3.56Å; Y349-R351 PolarHBondContact O-N 2.84Å; Y349-R351 VanDerWaalsContact O-N 3.13Å
350	P	74.1	Confident	71.2	Confident	6 Å²	6	64 Å²	64	4%	0.039	34%	0.339	C	S	.	.			trans	-51.4	125.1	172.2	-25	35.4	0	0	0	108.2	G145 I194 E346 V352	G145-P350 VanDerWaalsContact CA-CB 3.43Å; I194-P350 HydrophobicContact CB-CG 4.24Å; I194-P350 HydrophobicContact CG2-CG 3.86Å; E346-P350 VanDerWaalsContact O-CA 3.24Å; E346-P350 WeakPolarHBondContact O-CA 3.25Å; E346-P350 VanDerWaalsContact O-N 3.16Å; P350-V352 PolarHBondContact O-N 3.05Å; P350-V352 VanDerWaalsContact O-N 3.16Å
351	R	76.6	Confident	72.9	Confident	156 Å²	156	60.5 Å²	60.5	59%	0.589	31%	0.308	S	S	*	.			trans	-66	119.4	176.9	-70.9	-177	-177.3	-174.2	1.1	107.7	E346 Y349 R359 H360	E346-R351 HydrophobicContact CG-CG 4.44Å; Y349-R351 PolarHBondContact O-N 2.84Å; Y349-R351 VanDerWaalsContact O-N 3.13Å; R351-R359 VanDerWaalsContact O-CD 3.31Å; R351-R359 WeakPolarHBondContact O-CD 3.28Å; R351-H360 PolarHBondContact O-NE2 2.97Å
352	V	78.6	Confident	73.7	Confident	42 Å²	42	59.7 Å²	59.7	26%	0.255	31%	0.307	S	S	.	.			trans	-124.6	119.1	-178.9	170.4	0	0	0	0	107.4	S144 P350 G354 D357	S144-V352 WeakPolarHBondContact OG-CG2 3.49Å; P350-V352 PolarHBondContact O-N 3.05Å; P350-V352 VanDerWaalsContact O-N 3.16Å; V352-G354 VanDerWaalsContact C-N 3.32Å; V352-G354 WeakPolarHBondContact CG1-O 3.3Å; V352-D357 VanDerWaalsContact CA-OD2 3.25Å; V352-D357 WeakPolarHBondContact CA-OD2 3.26Å; V352-D357 HydrophobicContact CG1-CB 3.89Å
353	D	82.7	Confident	74	Confident	130 Å²	130	65.5 Å²	65.5	70%	0.695	32%	0.321	S	S	*	.	S	Bend	trans	-84.3	-8.1	-178.5	-74	9.4	0	0	0	112.7	D357 R359	D353-D357 PolarHBondContact N-OD2 2.93Å; D353-R359 IonicContact OD1-CZ 3.49Å; D353-R359 IonicContact OD1-NH1 3.82Å; D353-R359 PolarHBondContact OD1-NH1 2.74Å; D353-R359 IonicContact OD1-NH2 2.66Å; D353-R359 PolarHBondContact OD1-NH2 2.93Å; D353-R359 IonicContact OD2-CZ 3.31Å; D353-R359 IonicContact OD2-NH1 2.87Å; D353-R359 PolarHBondContact OD2-NH1 3.39Å; D353-R359 IonicContact OD2-NH2 3.31Å; D353-R359 PolarHBondContact OD2-NH2 3.14Å
354	G	83.8	Confident	73.9	Confident	27 Å²	27	63.1 Å²	63.1	28%	0.278	32%	0.318	S	S	.	.	S	Bend	trans	174.7	176.4	177.3	0	0	0	0	0	113.8	V352 A356 D357	V352-G354 VanDerWaalsContact C-N 3.32Å; V352-G354 WeakPolarHBondContact CG1-O 3.3Å; G354-A356 PolarHBondContact O-N 3.44Å; G354-A356 VanDerWaalsContact O-N 3.14Å; G354-D357 WeakPolarHBondContact O-CB 3.43Å; G354-D357 PolarHBondContact O-N 3.15Å; G354-D357 VanDerWaalsContact O-N 3.14Å
355	P	83.8	Confident	74.3	Confident	93 Å²	93	64.3 Å²	64.3	60%	0.604	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-14.8	-175.5	28.4	-36.8	0	0	0	114.3	Y88 F142	Y88-P355 HydrophobicContact CD2-CB 3.71Å; Y88-P355 HydrophobicContact CD2-CG 3.95Å; Y88-P355 HydrophobicContact CE2-CB 3.98Å; Y88-P355 HydrophobicContact CE2-CG 3.67Å; F142-P355 WeakPolarHBondContact CD1-O 3.2Å; F142-P355 WeakPolarHBondContact CE1-O 3.49Å
356	A	85.8	Confident	75.1	Confident	34 Å²	34	68.4 Å²	68.4	28%	0.281	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.6	9.8	178.3	0	0	0	0	0	113.3	L79 Y88 G354 T358	L79-A356 HydrophobicContact CD2-CB 4.14Å; Y88-A356 HydrophobicContact CD1-CB 3.76Å; Y88-A356 HydrophobicContact CE1-CB 3.43Å; Y88-A356 VanDerWaalsContact CE1-CB 3.43Å; Y88-A356 HydrophobicContact CE2-CB 4.29Å; Y88-A356 HydrophobicContact CG-CB 4.32Å; G354-A356 PolarHBondContact O-N 3.44Å; G354-A356 VanDerWaalsContact O-N 3.14Å; A356-T358 PolarHBondContact O-N 3.12Å
357	D	84.4	Confident	76	Confident	18 Å²	18	70.2 Å²	70.2	10%	0.096	35%	0.354	C	S	.	.			trans	-67.3	128.7	-174	-167.6	-10.3	0	0	0	111.7	F142 V352 D353 G354 R359	F142-D357 VanDerWaalsContact CZ-O 3.29Å; F142-D357 WeakPolarHBondContact CZ-O 3.14Å; V352-D357 VanDerWaalsContact CA-OD2 3.25Å; V352-D357 WeakPolarHBondContact CA-OD2 3.26Å; V352-D357 HydrophobicContact CG1-CB 3.89Å; D353-D357 PolarHBondContact N-OD2 2.93Å; G354-D357 WeakPolarHBondContact O-CB 3.43Å; G354-D357 PolarHBondContact O-N 3.15Å; G354-D357 VanDerWaalsContact O-N 3.14Å; D357-R359 VanDerWaalsContact CG-NE 3.28Å; D357-R359 WeakPolarHBondContact OD1-CB 3.44Å; D357-R359 IonicContact OD1-CZ 3.48Å; D357-R359 PolarHBondContact OD1-N 3.33Å; D357-R359 IonicContact OD1-NE 3.05Å; D357-R359 PolarHBondContact OD1-NE 3.36Å; D357-R359 IonicContact OD1-NH2 3.42Å; D357-R359 IonicContact OD2-CZ 3.41Å; D357-R359 IonicContact OD2-NE 3.02Å; D357-R359 PolarHBondContact OD2-NE 2.78Å; D357-R359 IonicContact OD2-NH1 3.76Å; D357-R359 IonicContact OD2-NH2 2.74Å; D357-R359 PolarHBondContact OD2-NH2 3.14Å; D357-R359 VanDerWaalsContact OD2-NH2 3.12Å
358	T	84.4	Confident	76.9	Confident	28 Å²	28	74.6 Å²	74.6	17%	0.172	38%	0.383	C	S	.	.			trans	-119.4	12.2	-177.3	53.3	0	0	0	0	113.5	L69 L79 F142 A356 H360 F361	L69-T358 HydrophobicContact CD2-CG2 3.46Å; L69-T358 VanDerWaalsContact CD2-CG2 3.46Å; L79-T358 HydrophobicContact CD2-CG2 3.8Å; F142-T358 HydrophobicContact CZ-CG2 4.08Å; A356-T358 PolarHBondContact O-N 3.12Å; T358-H360 PolarHBondContact O-N 3.26Å; T358-H360 VanDerWaalsContact O-N 3.09Å; T358-F361 HydrophobicContact CG2-CD2 4.43Å; T358-F361 PolarHBondContact O-N 2.64Å; T358-F361 VanDerWaalsContact O-N 3.08Å
359	R	85.6	Confident	77.7	Confident	113 Å²	113	76.8 Å²	76.8	43%	0.426	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-22.3	-175	76.6	-174.6	62.5	-167.9	-28.1	115.5	R351 D353 D357	R351-R359 VanDerWaalsContact O-CD 3.31Å; R351-R359 WeakPolarHBondContact O-CD 3.28Å; D353-R359 IonicContact OD1-CZ 3.49Å; D353-R359 IonicContact OD1-NH1 3.82Å; D353-R359 PolarHBondContact OD1-NH1 2.74Å; D353-R359 IonicContact OD1-NH2 2.66Å; D353-R359 PolarHBondContact OD1-NH2 2.93Å; D353-R359 IonicContact OD2-CZ 3.31Å; D353-R359 IonicContact OD2-NH1 2.87Å; D353-R359 PolarHBondContact OD2-NH1 3.39Å; D353-R359 IonicContact OD2-NH2 3.31Å; D353-R359 PolarHBondContact OD2-NH2 3.14Å; D357-R359 VanDerWaalsContact CG-NE 3.28Å; D357-R359 WeakPolarHBondContact OD1-CB 3.44Å; D357-R359 IonicContact OD1-CZ 3.48Å; D357-R359 PolarHBondContact OD1-N 3.33Å; D357-R359 IonicContact OD1-NE 3.05Å; D357-R359 PolarHBondContact OD1-NE 3.36Å; D357-R359 IonicContact OD1-NH2 3.42Å; D357-R359 IonicContact OD2-CZ 3.41Å; D357-R359 IonicContact OD2-NE 3.02Å; D357-R359 PolarHBondContact OD2-NE 2.78Å; D357-R359 IonicContact OD2-NH1 3.76Å; D357-R359 IonicContact OD2-NH2 2.74Å; D357-R359 PolarHBondContact OD2-NH2 3.14Å; D357-R359 VanDerWaalsContact OD2-NH2 3.12Å
360	H	81.7	Confident	78.2	Confident	24 Å²	24	79.4 Å²	79.4	11%	0.111	41%	0.411	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	3	-178.7	-59.8	-67	0	0	0	112.9	S144 G145 E346 R351 T358	S144-H360 PolarHBondContact O-CD2 2.92Å; G145-H360 VanDerWaalsContact O-CB 3.29Å; G145-H360 WeakPolarHBondContact O-CB 3.45Å; E346-H360 IonicContact OE1-CE1 2.7Å; E346-H360 PolarHBondContact OE1-CE1 2.87Å; R351-H360 PolarHBondContact O-NE2 2.97Å; T358-H360 PolarHBondContact O-N 3.26Å; T358-H360 VanDerWaalsContact O-N 3.09Å
361	F	79.7	Confident	78.6	Confident	47 Å²	47	81.5 Å²	81.5	21%	0.206	42%	0.419	C	S	.	.	S	Bend	trans	-90.3	142.4	173.5	-68.1	-96.8	0	0	0	110.4	L69 F142 T358 E363	L69-F361 HydrophobicContact CB-CD1 3.91Å; L69-F361 HydrophobicContact CB-CE1 4.07Å; L69-F361 HydrophobicContact CD1-CE1 4.14Å; L69-F361 HydrophobicContact CD1-CZ 4.29Å; L69-F361 HydrophobicContact CD2-CD1 3.99Å; L69-F361 HydrophobicContact CD2-CD2 4.08Å; L69-F361 HydrophobicContact CD2-CE1 4.1Å; L69-F361 HydrophobicContact CD2-CE2 4.19Å; L69-F361 HydrophobicContact CD2-CG 3.99Å; L69-F361 HydrophobicContact CD2-CZ 4.21Å; L69-F361 HydrophobicContact CG-CD1 4.42Å; L69-F361 HydrophobicContact CG-CE1 4.33Å; F142-F361 HydrophobicContact CD2-CZ 4.31Å; F142-F361 HydrophobicContact CE2-CE1 4.46Å; F142-F361 AromaticContact CE2-CE2 3.53Å; F142-F361 HydrophobicContact CE2-CE2 3.53Å; F142-F361 AromaticContact CE2-CZ 3.44Å; F142-F361 HydrophobicContact CE2-CZ 3.44Å; F142-F361 VanDerWaalsContact CE2-CZ 3.44Å; F142-F361 AromaticContact CZ-CE2 3.72Å; F142-F361 HydrophobicContact CZ-CE2 3.72Å; F142-F361 HydrophobicContact CZ-CZ 4.11Å; T358-F361 HydrophobicContact CG2-CD2 4.43Å; T358-F361 PolarHBondContact O-N 2.64Å; T358-F361 VanDerWaalsContact O-N 3.08Å; F361-E363 PolarHBondContact O-N 2.82Å
362	V	67.4	Low	79	Confident	101 Å²	101	80.5 Å²	80.5	61%	0.612	43%	0.43	S	S	*	.	S	Bend	trans	-73.2	95.8	-174.6	-174.7	0	0	0	0	110
363	E	63.7	Low	79.4	Confident	169 Å²	169	81.7 Å²	81.7	79%	0.79	44%	0.435	S	S	*	.	S	Bend	trans	57.2	153.7	172.5	-69.9	-176.3	168.1	0	0	117.3	F361 V365	F361-E363 PolarHBondContact O-N 2.82Å; E363-V365 PolarHBondContact O-N 2.5Å
364	E	60.8	Low	79.7	Confident	122 Å²	122	76.4 Å²	76.4	57%	0.57	41%	0.409	S	S	*	.			trans	-74.1	98.9	-177.3	-171.5	155.7	-116.6	0	0	110.1	K67 Q366	K67-E364 WeakPolarHBondContact CE-OE1 3.29Å; K67-E364 IonicContact NZ-OE1 3.63Å; K67-E364 PolarHBondContact NZ-OE1 3.44Å; E364-Q366 PolarHBondContact O-N 3.29Å
365	V	69.6	Low	79.8	Confident	40 Å²	40	80 Å²	80	24%	0.242	44%	0.436	C	S	.	.			trans	-63.2	103.8	167.6	-179.6	0	0	0	0	107.9	T68 T71 E363 E367	T68-V365 HydrophobicContact CG2-CB 3.83Å; T68-V365 HydrophobicContact CG2-CG1 3.77Å; T68-V365 HydrophobicContact CG2-CG2 4.48Å; T71-V365 HydrophobicContact CG2-CG1 3.77Å; E363-V365 PolarHBondContact O-N 2.5Å; V365-E367 HydrophobicContact CG1-CB 4.16Å; V365-E367 HydrophobicContact CG1-CG 3.82Å; V365-E367 PolarHBondContact O-N 3.32Å
366	Q	72.7	Confident	79.9	Confident	179 Å²	179	80.3 Å²	80.3	84%	0.836	44%	0.436	S	S	*	.			trans	-75	61.9	174.7	-67.1	-172.9	4.1	0	0	110.8	E364	E364-Q366 PolarHBondContact O-N 3.29Å
367	E	77.7	Confident	79.9	Confident	81 Å²	81	82.6 Å²	82.6	38%	0.379	45%	0.448	S	S	.	.			trans	-98.8	139.7	163.6	-79.3	-165.9	-172.2	0	0	110	T71 R76 V365 T369	T71-E367 WeakPolarHBondContact CG2-OE1 3.42Å; R76-E367 WeakPolarHBondContact CD-OE2 3.07Å; R76-E367 IonicContact CZ-OE2 3.4Å; R76-E367 IonicContact NE-OE2 3.12Å; R76-E367 IonicContact NH1-OE2 3.36Å; R76-E367 PolarHBondContact NH1-OE2 3.4Å; V365-E367 HydrophobicContact CG1-CB 4.16Å; V365-E367 HydrophobicContact CG1-CG 3.82Å; V365-E367 PolarHBondContact O-N 3.32Å; E367-T369 PolarHBondContact O-N 3.27Å
368	P	82.5	Confident	79.9	Confident	93 Å²	93	84 Å²	84	60%	0.604	45%	0.454	S	S	*	.			trans	-55.3	136.3	175.8	-23.6	32.9	0	0	0	111	R76 E370	R76-P368 PolarHBondContact NH1-O 3.04Å; R76-P368 PolarHBondContact NH2-O 3.49Å; P368-E370 PolarHBondContact O-N 2.96Å
369	T	82.2	Confident	80.1	Confident	48 Å²	48	85.6 Å²	85.6	29%	0.294	46%	0.461	S	S	.	.	S	Bend	trans	-66.3	-27.6	176.1	50.5	0	0	0	0	112.1	R65 I66 R76 M78 E367	R65-T369 WeakPolarHBondContact CD-O 3.45Å; R65-T369 PolarHBondContact NE-O 3.31Å; I66-T369 WeakPolarHBondContact O-CG2 3.39Å; R76-T369 PolarHBondContact NH2-O 3.03Å; M78-T369 HydrophobicContact CE-CG2 3.88Å; E367-T369 PolarHBondContact O-N 3.27Å
370	E	83.7	Confident	80.1	Confident	117 Å²	117	83.5 Å²	83.5	55%	0.547	46%	0.457	S	S	.	.			trans	-85	145.3	172.5	-64.3	-57.3	136.1	0	0	111.8	R65 P368	R65-E370 IonicContact CZ-OE1 3.58Å; R65-E370 IonicContact CZ-OE2 3.69Å; R65-E370 IonicContact NE-OE1 3.59Å; R65-E370 IonicContact NH2-OE1 2.77Å; R65-E370 PolarHBondContact NH2-OE1 2.77Å; R65-E370 IonicContact NH2-OE2 2.73Å; R65-E370 PolarHBondContact NH2-OE2 2.73Å; P368-E370 PolarHBondContact O-N 2.96Å
371	F	82.5	Confident	80.5	Confident	50 Å²	50	91 Å²	91	22%	0.219	49%	0.492	C	S	.	.			trans	-147.7	156.9	173.9	53.8	-87.7	0	0	0	110	L60 R76 I93 N135 Y137 I373	L60-F371 HydrophobicContact CD2-CE2 4.35Å; L60-F371 HydrophobicContact CD2-CZ 3.91Å; R76-F371 VanDerWaalsContact NH2-CD1 3.29Å; I93-F371 HydrophobicContact CD1-CE1 3.85Å; I93-F371 HydrophobicContact CD1-CZ 4.14Å; I93-F371 HydrophobicContact CG2-CZ 4.32Å; N135-F371 VanDerWaalsContact ND2-CE2 3.31Å; N135-F371 WeakPolarHBondContact ND2-CE2 3.19Å; Y137-F371 AromaticContact CE1-CZ 3.95Å; Y137-F371 HydrophobicContact CE1-CZ 3.95Å; Y137-F371 WeakPolarHBondContact OH-CE2 3.38Å; Y137-F371 VanDerWaalsContact OH-CZ 3.3Å; Y137-F371 WeakPolarHBondContact OH-CZ 3.31Å; F371-I373 HydrophobicContact CD2-CG1 4.31Å; F371-I373 HydrophobicContact CE2-CD1 4.45Å; F371-I373 HydrophobicContact CE2-CG1 4.04Å
372	V	84.9	Confident	81	Confident	134 Å²	134	92.7 Å²	92.7	81%	0.812	50%	0.502	S	S	*	.	P	Polyproline II helix	trans	-81.6	125.2	-175.2	-178.3	0	0	0	0	110.1
373	I	88.4	Confident	82.1	Confident	68 Å²	68	87.9 Å²	87.9	35%	0.349	47%	0.473	S	S	.	.	P	Polyproline II helix	trans	-98	131.6	170.2	-58.9	166.8	0	0	0	107.9	L60 D132 N133 F371	L60-I373 HydrophobicContact CD2-CD1 3.65Å; D132-I373 HydrophobicContact CB-CG2 4.16Å; D132-I373 VanDerWaalsContact OD2-CD1 3.26Å; D132-I373 WeakPolarHBondContact OD2-CD1 3.42Å; D132-I373 WeakPolarHBondContact OD2-CG1 3.34Å; N133-I373 HydrophobicContact CB-CG2 4.12Å; F371-I373 HydrophobicContact CD2-CG1 4.31Å; F371-I373 HydrophobicContact CE2-CD1 4.45Å; F371-I373 HydrophobicContact CE2-CG1 4.04Å
374	A	87.6	Confident	83.2	Confident	19 Å²	19	83.9 Å²	83.9	16%	0.157	46%	0.46	C	S	.	.	P	Polyproline II helix	trans	-62.5	144	179	0	0	0	0	0	111.5	N133 S134 T376 Q378	N133-A374 HydrophobicContact CB-CB 4.3Å; N133-A374 WeakPolarHBondContact CB-O 3.47Å; N133-A374 PolarHBondContact ND2-O 2.84Å; S134-A374 VanDerWaalsContact OG-CB 3.23Å; S134-A374 WeakPolarHBondContact OG-CB 3.44Å; S134-A374 PolarHBondContact OG-N 2.9Å; A374-T376 VanDerWaalsContact C-N 3.3Å; A374-T376 PolarHBondContact O-N 3.24Å; A374-Q378 HydrophobicContact CB-CG 4.05Å; A374-Q378 VanDerWaalsContact CB-NE2 3.29Å
375	A	86.9	Confident	84.3	Confident	103 Å²	103	84.3 Å²	84.3	85%	0.851	46%	0.462	S	S	*	.	S	Bend	trans	-69.7	-27.5	178	0	0	0	0	0	113.1	N133	N133-A375 PolarHBondContact ND2-O 3.2Å
376	T	86.4	Confident	85.1	Confident	99 Å²	99	82.5 Å²	82.5	61%	0.607	45%	0.451	S	S	*	.	S	Bend	trans	-111.9	142.2	179.1	55.7	0	0	0	0	111	A374 Q378	A374-T376 VanDerWaalsContact C-N 3.3Å; A374-T376 PolarHBondContact O-N 3.24Å; T376-Q378 PolarHBondContact O-N 3.3Å
377	P	84.3	Confident	85.7	Confident	82 Å²	82	77.7 Å²	77.7	53%	0.532	43%	0.431	S	S	.	.			trans	-54.5	125.7	175.1	-24.1	32.3	0	0	0	111.6	N133 E380	N133-P377 WeakPolarHBondContact OD1-CA 3.45Å; N133-P377 WeakPolarHBondContact OD1-CG 3.21Å; P377-E380 HydrophobicContact CB-CB 4.23Å; P377-E380 HydrophobicContact CB-CG 4.5Å
378	Q	84.9	Confident	86.1	Confident	46 Å²	46	77.5 Å²	77.5	22%	0.215	43%	0.434	C	S	.	.			trans	-102	135.1	174.3	-54.9	-178	-12.2	0	0	109.6	K96 Q97 N133 A374 T376 E380	K96-Q378 VanDerWaalsContact CD-O 3.25Å; K96-Q378 WeakPolarHBondContact CD-O 3.42Å; K96-Q378 PolarHBondContact NZ-O 3.29Å; Q97-Q378 VanDerWaalsContact NE2-CD 3.34Å; N133-Q378 VanDerWaalsContact O-CB 3.22Å; N133-Q378 WeakPolarHBondContact O-CB 3.42Å; N133-Q378 WeakPolarHBondContact O-CG 3.43Å; N133-Q378 PolarHBondContact O-N 3.19Å; A374-Q378 HydrophobicContact CB-CG 4.05Å; A374-Q378 VanDerWaalsContact CB-NE2 3.29Å; T376-Q378 PolarHBondContact O-N 3.3Å; Q378-E380 PolarHBondContact O-N 2.85Å; Q378-E380 VanDerWaalsContact O-N 3.08Å
379	L	89.5	Confident	86.3	Confident	63 Å²	63	76.6 Å²	76.6	33%	0.33	43%	0.425	S	S	.	.	S	Bend	trans	56.6	30	167.9	-56.1	160.9	0	0	0	113	K96 Q97 V100 E381 L382 F383	K96-L379 HydrophobicContact CB-CD1 3.99Å; Q97-L379 HydrophobicContact CG-CD1 4.18Å; V100-L379 HydrophobicContact CB-CD1 4.14Å; V100-L379 HydrophobicContact CG1-CD2 4.48Å; V100-L379 HydrophobicContact CG2-CD1 3.73Å; V100-L379 HydrophobicContact CG2-CD2 4.29Å; V100-L379 HydrophobicContact CG2-CG 4.41Å; L379-E381 VanDerWaalsContact C-N 3.3Å; L379-E381 PolarHBondContact O-N 3.41Å; L379-L382 HydrophobicContact CB-CD1 4.4Å; L379-L382 HydrophobicContact CD2-CD1 4.14Å; L379-L382 PolarHBondContact O-N 2.84Å; L379-F383 HydrophobicContact CB-CD2 4.3Å; L379-F383 HydrophobicContact CB-CE2 4.23Å; L379-F383 WeakPolarHBondContact O-CD2 2.91Å
380	E	84.7	Confident	86.6	Confident	69 Å²	69	78.3 Å²	78.3	32%	0.322	43%	0.433	S	S	.	.	G	3₁₀ helix	trans	-60.7	-40.1	-167.9	-170	56.8	-154.7	0	0	112.3	K96 K131 P377 Q378 L382 F383 V384	K96-E380 IonicContact NZ-OE2 2.69Å; K96-E380 PolarHBondContact NZ-OE2 2.97Å; K96-E380 VanDerWaalsContact NZ-OE2 3.1Å; K131-E380 WeakPolarHBondContact CE-OE1 3.39Å; K131-E380 IonicContact NZ-OE1 3.36Å; K131-E380 PolarHBondContact NZ-OE1 3.33Å; K131-E380 IonicContact NZ-OE2 3.84Å; P377-E380 HydrophobicContact CB-CB 4.23Å; P377-E380 HydrophobicContact CB-CG 4.5Å; Q378-E380 PolarHBondContact O-N 2.85Å; Q378-E380 VanDerWaalsContact O-N 3.08Å; E380-L382 PolarHBondContact O-N 3.2Å; E380-F383 CarbonylContact O-C 3.58Å; E380-F383 PolarHBondContact O-N 3.22Å; E380-F383 VanDerWaalsContact O-N 3.1Å; E380-V384 VanDerWaalsContact O-CG2 3.24Å; E380-V384 WeakPolarHBondContact O-CG2 3.32Å; E380-V384 PolarHBondContact O-N 3.31Å; E380-V384 VanDerWaalsContact O-N 3.12Å
381	E	89.6	Confident	86.7	Confident	181 Å²	181	75.9 Å²	75.9	85%	0.846	43%	0.425	S	S	*	.	G	3₁₀ helix	trans	-57.6	-30.1	177.4	-61.2	177.4	-173.1	0	0	113.4	L379	L379-E381 VanDerWaalsContact C-N 3.3Å; L379-E381 PolarHBondContact O-N 3.41Å
382	L	91.2	Very high	87	Confident	83 Å²	83	77.6 Å²	77.6	44%	0.435	44%	0.439	S	S	.	.	G	3₁₀ helix	trans	-83.1	-19.3	-178.7	-63.4	176.7	0	0	0	113.1	V100 V105 L379 E380	V100-L382 HydrophobicContact CG1-CD1 4.3Å; V100-L382 HydrophobicContact CG2-CD1 3.62Å; V105-L382 HydrophobicContact CG1-CB 4.42Å; L379-L382 HydrophobicContact CB-CD1 4.4Å; L379-L382 HydrophobicContact CD2-CD1 4.14Å; L379-L382 PolarHBondContact O-N 2.84Å; E380-L382 PolarHBondContact O-N 3.2Å
383	F	90.7	Very high	87.2	Confident	0 Å²	0	73.6 Å²	73.6	0%	0	41%	0.412	C	S	.	.	S	Bend	trans	-123.5	21.4	-174.6	-61.7	-71.7	0	0	0	112.3	K96 V99 V100 V105 L109 K131 L136 L379 E380 E385 F386	K96-F383 HydrophobicContact CB-CD2 4.34Å; K96-F383 HydrophobicContact CB-CE2 3.86Å; K96-F383 HydrophobicContact CD-CD2 3.94Å; K96-F383 HydrophobicContact CD-CE2 4.3Å; K96-F383 HydrophobicContact CG-CD2 3.91Å; K96-F383 HydrophobicContact CG-CE2 3.86Å; V99-F383 HydrophobicContact CB-CZ 4.2Å; V99-F383 HydrophobicContact CG1-CE1 4.08Å; V99-F383 HydrophobicContact CG1-CZ 3.79Å; V100-F383 HydrophobicContact CG2-CE2 3.93Å; V100-F383 HydrophobicContact CG2-CZ 4.08Å; V105-F383 HydrophobicContact CB-CE1 4.39Å; V105-F383 HydrophobicContact CG1-CD1 4.38Å; V105-F383 HydrophobicContact CG1-CE1 3.84Å; V105-F383 HydrophobicContact CG1-CZ 4.23Å; V105-F383 HydrophobicContact CG2-CE1 4.29Å; V105-F383 HydrophobicContact CG2-CZ 3.92Å; L109-F383 HydrophobicContact CD2-CD1 4.38Å; K131-F383 HydrophobicContact CD-CB 4.45Å; K131-F383 PolarHBondContact NZ-O 2.8Å; L136-F383 HydrophobicContact CD1-CD1 3.56Å; L136-F383 HydrophobicContact CD1-CE1 3.44Å; L136-F383 VanDerWaalsContact CD1-CE1 3.44Å; L136-F383 HydrophobicContact CD1-CG 4.24Å; L136-F383 HydrophobicContact CD1-CZ 4.04Å; L136-F383 HydrophobicContact CD2-CB 3.98Å; L136-F383 HydrophobicContact CD2-CD1 3.94Å; L136-F383 HydrophobicContact CD2-CD2 4.42Å; L136-F383 HydrophobicContact CD2-CG 3.86Å; L136-F383 HydrophobicContact CG-CD1 4.36Å; L379-F383 HydrophobicContact CB-CD2 4.3Å; L379-F383 HydrophobicContact CB-CE2 4.23Å; L379-F383 WeakPolarHBondContact O-CD2 2.91Å; E380-F383 CarbonylContact O-C 3.58Å; E380-F383 PolarHBondContact O-N 3.22Å; E380-F383 VanDerWaalsContact O-N 3.1Å; F383-E385 PolarHBondContact O-N 2.84Å; F383-F386 HydrophobicContact CB-CB 4.16Å; F383-F386 WeakPolarHBondContact O-CB 3.31Å; F383-F386 PolarHBondContact O-N 2.72Å
384	V	87	Confident	87.1	Confident	84 Å²	84	74 Å²	74	51%	0.509	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-41	179.4	177.9	0	0	0	0	111.5	E380 F386	E380-V384 VanDerWaalsContact O-CG2 3.24Å; E380-V384 WeakPolarHBondContact O-CG2 3.32Å; E380-V384 PolarHBondContact O-N 3.31Å; E380-V384 VanDerWaalsContact O-N 3.12Å; V384-F386 VanDerWaalsContact C-N 3.31Å; V384-F386 PolarHBondContact O-N 3.38Å
385	E	82.7	Confident	87.1	Confident	132 Å²	132	78.6 Å²	78.6	62%	0.617	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	1.4	-178.8	-57.2	-172.6	167.9	0	0	114.4	K112 F383	K112-E385 PolarHBondContact NZ-O 3.3Å; F383-E385 PolarHBondContact O-N 2.84Å
386	F	86.8	Confident	87.1	Confident	1 Å²	1	76.4 Å²	76.4	0%	0.004	40%	0.402	C	S	.	.			trans	-74.1	0	177.1	-165.9	-79.9	0	0	0	112.5	T108 L109 K112 F130 K131 L136 Y137 M138 F383 V384	T108-F386 HydrophobicContact CG2-CE2 4.11Å; L109-F386 HydrophobicContact CD2-CB 4.07Å; L109-F386 HydrophobicContact CD2-CD2 4.03Å; K112-F386 HydrophobicContact CB-CE2 3.98Å; K112-F386 HydrophobicContact CD-CD1 4.35Å; K112-F386 HydrophobicContact CD-CD2 3.76Å; K112-F386 HydrophobicContact CD-CE1 4.39Å; K112-F386 HydrophobicContact CD-CE2 3.84Å; K112-F386 HydrophobicContact CD-CG 4.01Å; K112-F386 HydrophobicContact CD-CZ 4.14Å; K112-F386 WeakPolarHBondContact CD-OXT 3.47Å; K112-F386 WeakPolarHBondContact CE-OXT 3.35Å; K112-F386 HydrophobicContact CG-CD2 4.45Å; K112-F386 HydrophobicContact CG-CE2 4.03Å; K112-F386 HydrophobicContact CG-CZ 4.21Å; K112-F386 PolarHBondContact NZ-OXT 2.81Å; F130-F386 VanDerWaalsContact O-CE1 3.24Å; F130-F386 WeakPolarHBondContact O-CE1 3.26Å; K131-F386 HydrophobicContact CB-CD1 4.16Å; K131-F386 HydrophobicContact CD-CB 4.36Å; L136-F386 HydrophobicContact CB-CD1 4.13Å; L136-F386 HydrophobicContact CB-CD2 4.17Å; L136-F386 HydrophobicContact CB-CE1 3.8Å; L136-F386 HydrophobicContact CB-CE2 3.81Å; L136-F386 HydrophobicContact CB-CG 4.35Å; L136-F386 HydrophobicContact CB-CZ 3.63Å; L136-F386 HydrophobicContact CD1-CD2 3.9Å; L136-F386 HydrophobicContact CD1-CE2 4.02Å; L136-F386 HydrophobicContact CD1-CG 4.46Å; L136-F386 HydrophobicContact CD2-CB 4.16Å; L136-F386 HydrophobicContact CD2-CD1 3.95Å; L136-F386 HydrophobicContact CD2-CD2 4.06Å; L136-F386 HydrophobicContact CD2-CE1 4.49Å; L136-F386 HydrophobicContact CD2-CG 3.76Å; L136-F386 HydrophobicContact CG-CD2 4.26Å; L136-F386 HydrophobicContact CG-CE2 4.35Å; L136-F386 HydrophobicContact CG-CG 4.4Å; Y137-F386 WeakPolarHBondContact O-CE1 3.44Å; M138-F386 HydrophobicContact CG-CZ 3.82Å; F383-F386 HydrophobicContact CB-CB 4.16Å; F383-F386 WeakPolarHBondContact O-CB 3.31Å; F383-F386 PolarHBondContact O-N 2.72Å; V384-F386 VanDerWaalsContact C-N 3.31Å; V384-F386 PolarHBondContact O-N 3.38Å

Retrieved 386 of 386 residues in 2142 ms (Link to these results)

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