A0A096MX52_PAPAN Loading...

Sulfotransferase

AlphaFold DB (A0A2K6PED0), UniProt , Accession A0A096MX52, Species PAPAN (Papio anubis, Olive baboon), Gene HS3ST5, Length 346 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	55.7	Low	60.8	Low	224 Å²	224	145 Å²	145	100%	1.103	68%	0.677	S	S	*	*				0	-26.2	0	-99.1	170	166.8	0	0	114.5
2	L	53	Low	61.5	Low	140 Å²	140	141.8 Å²	141.8	73%	0.733	66%	0.66	S	S	*	*	H	α-helix	trans	-69.8	-30.9	-179.5	-85.9	107.4	0	0	0	116.2	K4 Q5 Q6	L2-K4 PolarHBondContact O-N 3.47Å; L2-Q5 PolarHBondContact O-N 2.82Å; L2-Q6 PolarHBondContact O-N 3.07Å
3	F	51.4	Low	62.2	Low	179 Å²	179	140.2 Å²	140.2	79%	0.785	66%	0.658	S	S	*	*	H	α-helix	trans	-69.4	-29.1	-177.9	-82.6	-83	0	0	0	114.3	A7	F3-A7 PolarHBondContact O-N 3.29Å
4	K	54.5	Low	62.8	Low	181 Å²	181	139.7 Å²	139.7	79%	0.787	66%	0.66	S	S	*	*	H	α-helix	trans	-73.5	-31.9	177	-82.3	-174.3	174.4	-178.3	0	112.7	L2 W8	L2-K4 PolarHBondContact O-N 3.47Å; K4-W8 PolarHBondContact O-N 2.98Å
5	Q	55.9	Low	63.4	Low	132 Å²	132	135.7 Å²	135.7	62%	0.617	65%	0.649	S	S	*	*	H	α-helix	trans	-71.5	-38.1	177.3	-89	177.2	-25.8	0	0	112.4	L2 W8 L9	L2-Q5 PolarHBondContact O-N 2.82Å; Q5-W8 PolarHBondContact O-N 3.42Å; Q5-L9 PolarHBondContact O-N 3.07Å
6	Q	58.9	Low	63.8	Low	117 Å²	117	134.6 Å²	134.6	55%	0.547	65%	0.646	S	S	.	*	H	α-helix	trans	-66.9	-38.2	176	-86.2	-178.6	-23.3	0	0	113	L2 L9 R10	L2-Q6 PolarHBondContact O-N 3.07Å; Q6-L9 PolarHBondContact O-N 2.92Å; Q6-R10 WeakPolarHBondContact O-CG 3.27Å; Q6-R10 PolarHBondContact O-N 3.43Å
7	A	64	Low	64.2	Low	59 Å²	59	128.7 Å²	128.7	49%	0.488	63%	0.63	S	S	.	*	H	α-helix	trans	-64	-41.5	175.7	0	0	0	0	0	111.8	F3 R10 Q11	F3-A7 PolarHBondContact O-N 3.29Å; A7-R10 PolarHBondContact O-N 2.97Å; A7-Q11 PolarHBondContact O-N 3.39Å
8	W	68.9	Low	64.7	Low	149 Å²	149	125.7 Å²	125.7	56%	0.564	62%	0.623	S	S	*	*	H	α-helix	trans	-66.7	-39.6	178.5	-171.3	81.7	0	0	0	113.1	K4 Q5 Q11 K12	K4-W8 PolarHBondContact O-N 2.98Å; Q5-W8 PolarHBondContact O-N 3.42Å; W8-Q11 PolarHBondContact O-N 3.26Å; W8-K12 HydrophobicContact CD2-CD 4.4Å; W8-K12 HydrophobicContact CE3-CD 4.22Å; W8-K12 HydrophobicContact CH2-CD 3.93Å; W8-K12 VanDerWaalsContact CH2-CE 3.48Å; W8-K12 HydrophobicContact CZ2-CD 4.03Å; W8-K12 HydrophobicContact CZ3-CD 3.98Å; W8-K12 PolarHBondContact O-N 3.49Å; W8-K12 VanDerWaalsContact O-N 3.1Å
9	L	65.1	Low	65	Low	98 Å²	98	124.7 Å²	124.7	51%	0.513	62%	0.62	S	S	.	*	H	α-helix	trans	-66.3	-41.1	174.4	-98.1	132.8	0	0	0	112.5	Q5 Q6 Q11 K12 L13	Q5-L9 PolarHBondContact O-N 3.07Å; Q6-L9 PolarHBondContact O-N 2.92Å; L9-Q11 VanDerWaalsContact C-N 3.34Å; L9-Q11 PolarHBondContact O-N 3.48Å; L9-K12 PolarHBondContact O-N 2.94Å; L9-L13 PolarHBondContact O-N 3.31Å
10	R	70.3	Confident	65.5	Low	182 Å²	182	121.6 Å²	121.6	69%	0.687	62%	0.615	S	S	*	*	H	α-helix	trans	-63	-40.4	175.4	-75.6	-178.6	176.6	-166.5	-0.6	112	Q6 A7 L13 L14	Q6-R10 WeakPolarHBondContact O-CG 3.27Å; Q6-R10 PolarHBondContact O-N 3.43Å; A7-R10 PolarHBondContact O-N 2.97Å; R10-L13 PolarHBondContact O-N 3.02Å; R10-L14 PolarHBondContact O-N 3.5Å
11	Q	70.8	Confident	66.1	Low	134 Å²	134	119.9 Å²	119.9	63%	0.626	61%	0.61	S	S	*	*	H	α-helix	trans	-66.4	-39.1	177.9	-162.7	165.4	11.9	0	0	112	A7 W8 L9 L14 V15	A7-Q11 PolarHBondContact O-N 3.39Å; W8-Q11 PolarHBondContact O-N 3.26Å; L9-Q11 VanDerWaalsContact C-N 3.34Å; L9-Q11 PolarHBondContact O-N 3.48Å; Q11-L14 PolarHBondContact O-N 2.84Å; Q11-V15 WeakPolarHBondContact O-CG2 3.33Å; Q11-V15 PolarHBondContact O-N 2.93Å; Q11-V15 VanDerWaalsContact O-N 3.11Å
12	K	69.8	Low	67	Low	107 Å²	107	111 Å²	111	47%	0.465	58%	0.576	S	S	.	*	H	α-helix	trans	-66.6	-39	173.7	-80.5	-168.5	167	-171.8	0	113.5	W8 L9 V15 L16	W8-K12 HydrophobicContact CD2-CD 4.4Å; W8-K12 HydrophobicContact CE3-CD 4.22Å; W8-K12 HydrophobicContact CH2-CD 3.93Å; W8-K12 VanDerWaalsContact CH2-CE 3.48Å; W8-K12 HydrophobicContact CZ2-CD 4.03Å; W8-K12 HydrophobicContact CZ3-CD 3.98Å; W8-K12 PolarHBondContact O-N 3.49Å; W8-K12 VanDerWaalsContact O-N 3.1Å; L9-K12 PolarHBondContact O-N 2.94Å; K12-V15 PolarHBondContact O-N 2.83Å; K12-L16 WeakPolarHBondContact O-CB 3.43Å; K12-L16 WeakPolarHBondContact O-CG 3.42Å; K12-L16 PolarHBondContact O-N 3.2Å
13	L	69.9	Low	67.9	Low	121 Å²	121	107.8 Å²	107.8	63%	0.634	57%	0.566	S	S	*	*	H	α-helix	trans	-65.5	-38.5	175.5	-94.9	145.8	0	0	0	112.2	L9 R10 G17	L9-L13 PolarHBondContact O-N 3.31Å; R10-L13 PolarHBondContact O-N 3.02Å; L13-G17 PolarHBondContact O-N 3.1Å
14	L	70.5	Confident	68.8	Low	133 Å²	133	104.9 Å²	104.9	70%	0.696	56%	0.557	S	S	*	*	H	α-helix	trans	-64.2	-42.9	174.2	-106.4	128.8	0	0	0	112.4	R10 Q11 G17 S18	R10-L14 PolarHBondContact O-N 3.5Å; Q11-L14 PolarHBondContact O-N 2.84Å; L14-G17 PolarHBondContact O-N 2.93Å; L14-S18 PolarHBondContact O-N 3.06Å; L14-S18 PolarHBondContact O-OG 3Å
15	V	71.7	Confident	69.6	Low	80 Å²	80	101.7 Å²	101.7	49%	0.485	55%	0.549	S	S	.	.	H	α-helix	trans	-65.5	-44.7	177.6	173.9	0	0	0	0	110.9	Q11 K12 G17 S18 L19	Q11-V15 WeakPolarHBondContact O-CG2 3.33Å; Q11-V15 PolarHBondContact O-N 2.93Å; Q11-V15 VanDerWaalsContact O-N 3.11Å; K12-V15 PolarHBondContact O-N 2.83Å; V15-G17 PolarHBondContact O-N 2.98Å; V15-S18 PolarHBondContact O-N 3.15Å; V15-S18 PolarHBondContact O-OG 3.46Å; V15-L19 HydrophobicContact CG1-CD1 4.18Å; V15-L19 PolarHBondContact O-N 2.96Å; V15-L19 VanDerWaalsContact O-N 3.11Å
16	L	69.9	Low	70.4	Confident	117 Å²	117	102.3 Å²	102.3	61%	0.613	55%	0.546	S	S	*	.	H	α-helix	trans	-63.7	-39.3	176.4	-76.4	165.1	0	0	0	112.4	K12 L19 A20	K12-L16 WeakPolarHBondContact O-CB 3.43Å; K12-L16 WeakPolarHBondContact O-CG 3.42Å; K12-L16 PolarHBondContact O-N 3.2Å; L16-L19 PolarHBondContact O-N 2.92Å; L16-A20 PolarHBondContact O-N 2.96Å; L16-A20 VanDerWaalsContact O-N 3.16Å
17	G	71.9	Confident	70.7	Confident	35 Å²	35	101.9 Å²	101.9	36%	0.361	55%	0.547	S	S	.	.	H	α-helix	trans	-61.6	-44	173.5	0	0	0	0	0	112.5	L13 L14 V15 L19 A20 V21	L13-G17 PolarHBondContact O-N 3.1Å; L14-G17 PolarHBondContact O-N 2.93Å; V15-G17 PolarHBondContact O-N 2.98Å; G17-L19 PolarHBondContact O-N 2.95Å; G17-A20 PolarHBondContact O-N 3.5Å; G17-V21 WeakPolarHBondContact O-CG2 3.38Å; G17-V21 PolarHBondContact O-N 3.26Å
18	S	72.6	Confident	70.9	Confident	74 Å²	74	103.7 Å²	103.7	52%	0.517	55%	0.552	S	S	.	*	H	α-helix	trans	-64.7	-36.5	179.3	70.5	0	0	0	0	113.3	L14 V15 G22	L14-S18 PolarHBondContact O-N 3.06Å; L14-S18 PolarHBondContact O-OG 3Å; V15-S18 PolarHBondContact O-N 3.15Å; V15-S18 PolarHBondContact O-OG 3.46Å; S18-G22 PolarHBondContact O-N 3.32Å
19	L	70.9	Confident	70.5	Confident	108 Å²	108	99.8 Å²	99.8	57%	0.565	55%	0.552	S	S	*	*	H	α-helix	trans	-70	-37.3	176.8	-74.1	165.9	0	0	0	112.4	V15 L16 G17 S23	V15-L19 HydrophobicContact CG1-CD1 4.18Å; V15-L19 PolarHBondContact O-N 2.96Å; V15-L19 VanDerWaalsContact O-N 3.11Å; L16-L19 PolarHBondContact O-N 2.92Å; G17-L19 PolarHBondContact O-N 2.95Å; L19-S23 WeakPolarHBondContact O-CB 3.33Å; L19-S23 PolarHBondContact O-N 3.25Å; L19-S23 PolarHBondContact O-OG 3.41Å
20	A	74.9	Confident	70	Confident	62 Å²	62	103.1 Å²	103.1	51%	0.512	56%	0.557	S	S	.	*	H	α-helix	trans	-68	-43.7	176.3	0	0	0	0	0	111.6	L16 G17 S23 L24	L16-A20 PolarHBondContact O-N 2.96Å; L16-A20 VanDerWaalsContact O-N 3.16Å; G17-A20 PolarHBondContact O-N 3.5Å; A20-S23 PolarHBondContact O-N 2.95Å; A20-L24 WeakPolarHBondContact O-CB 3.46Å; A20-L24 PolarHBondContact O-N 2.67Å
21	V	78	Confident	69.3	Low	85 Å²	85	99.2 Å²	99.2	52%	0.515	55%	0.554	S	S	.	*	H	α-helix	trans	-66	-41.8	176.9	175.5	0	0	0	0	111.2	G17 S23 L24 L25	G17-V21 WeakPolarHBondContact O-CG2 3.38Å; G17-V21 PolarHBondContact O-N 3.26Å; V21-S23 VanDerWaalsContact C-N 3.35Å; V21-S23 PolarHBondContact O-N 3.24Å; V21-L24 PolarHBondContact O-N 3.15Å; V21-L25 HydrophobicContact CG1-CD1 3.86Å; V21-L25 HydrophobicContact CG1-CG 4.4Å; V21-L25 WeakPolarHBondContact O-CB 3.34Å; V21-L25 WeakPolarHBondContact O-CG 3.4Å; V21-L25 PolarHBondContact O-N 3.48Å
22	G	73.3	Confident	67.9	Low	38 Å²	38	95.9 Å²	95.9	39%	0.392	56%	0.555	S	S	.	*	H	α-helix	trans	-61.8	-40.3	175.3	0	0	0	0	0	113.1	S18 Y26	S18-G22 PolarHBondContact O-N 3.32Å; G22-Y26 WeakPolarHBondContact O-CB 3.32Å; G22-Y26 PolarHBondContact O-N 2.86Å
23	S	72.1	Confident	66.6	Low	73 Å²	73	95.6 Å²	95.6	51%	0.51	57%	0.566	S	S	.	*	H	α-helix	trans	-68	-37.9	176.9	-59.4	0	0	0	0	112.2	L19 A20 V21 L27	L19-S23 WeakPolarHBondContact O-CB 3.33Å; L19-S23 PolarHBondContact O-N 3.25Å; L19-S23 PolarHBondContact O-OG 3.41Å; A20-S23 PolarHBondContact O-N 2.95Å; V21-S23 VanDerWaalsContact C-N 3.35Å; V21-S23 PolarHBondContact O-N 3.24Å; S23-L27 PolarHBondContact O-N 3.49Å; S23-L27 VanDerWaalsContact O-N 3.1Å
24	L	71.8	Confident	65.1	Low	117 Å²	117	96.7 Å²	96.7	61%	0.613	57%	0.572	S	S	*	*	H	α-helix	trans	-68.9	-43.7	177.2	-163.4	73.4	0	0	0	111.6	A20 V21 Y26 L27 V28	A20-L24 WeakPolarHBondContact O-CB 3.46Å; A20-L24 PolarHBondContact O-N 2.67Å; V21-L24 PolarHBondContact O-N 3.15Å; L24-Y26 VanDerWaalsContact C-N 3.33Å; L24-Y26 PolarHBondContact O-N 2.9Å; L24-L27 PolarHBondContact O-N 3.23Å; L24-V28 WeakPolarHBondContact O-CG2 3.4Å; L24-V28 PolarHBondContact O-N 2.87Å
25	L	71.1	Confident	63.7	Low	115 Å²	115	97.7 Å²	97.7	60%	0.602	58%	0.579	S	S	*	*	H	α-helix	trans	-63	-38.6	175.3	-75.2	167.7	0	0	0	112.1	V21 V28 A29	V21-L25 HydrophobicContact CG1-CD1 3.86Å; V21-L25 HydrophobicContact CG1-CG 4.4Å; V21-L25 WeakPolarHBondContact O-CB 3.34Å; V21-L25 WeakPolarHBondContact O-CG 3.4Å; V21-L25 PolarHBondContact O-N 3.48Å; L25-V28 PolarHBondContact O-N 3.2Å; L25-A29 WeakPolarHBondContact O-CB 3.46Å; L25-A29 PolarHBondContact O-N 3.5Å
26	Y	71.8	Confident	62.2	Low	145 Å²	145	105 Å²	105	57%	0.569	60%	0.597	S	S	*	*	H	α-helix	trans	-64.2	-40.1	175	-177	-98.4	0	0	0	112.4	G22 L24 R30	G22-Y26 WeakPolarHBondContact O-CB 3.32Å; G22-Y26 PolarHBondContact O-N 2.86Å; L24-Y26 VanDerWaalsContact C-N 3.33Å; L24-Y26 PolarHBondContact O-N 2.9Å; Y26-R30 PolarHBondContact O-N 3.3Å
27	L	65.9	Low	60.5	Low	107 Å²	107	107.8 Å²	107.8	56%	0.56	61%	0.612	S	S	*	*	H	α-helix	trans	-66.6	-43.7	175.1	-98.5	147.4	0	0	0	112.1	S23 L24 R30 V31	S23-L27 PolarHBondContact O-N 3.49Å; S23-L27 VanDerWaalsContact O-N 3.1Å; L24-L27 PolarHBondContact O-N 3.23Å; L27-R30 PolarHBondContact O-N 3.47Å; L27-V31 WeakPolarHBondContact O-CG2 3.38Å; L27-V31 PolarHBondContact O-N 3.15Å
28	V	68.1	Low	58.7	Low	97 Å²	97	114.7 Å²	114.7	59%	0.588	64%	0.635	S	S	*	*	H	α-helix	trans	-63.7	-42.1	176.8	173.9	0	0	0	0	111.2	L24 L25 R30 V31 G32	L24-V28 WeakPolarHBondContact O-CG2 3.4Å; L24-V28 PolarHBondContact O-N 2.87Å; L25-V28 PolarHBondContact O-N 3.2Å; V28-R30 VanDerWaalsContact C-N 3.32Å; V28-R30 PolarHBondContact O-N 2.99Å; V28-V31 PolarHBondContact O-N 3.08Å; V28-G32 PolarHBondContact O-N 3.28Å
29	A	61.2	Low	56.8	Low	68 Å²	68	117.2 Å²	117.2	56%	0.562	65%	0.649	S	S	*	*	H	α-helix	trans	-64.5	-33.9	176	0	0	0	0	0	112.9	L25	L25-A29 WeakPolarHBondContact O-CB 3.46Å; L25-A29 PolarHBondContact O-N 3.5Å
30	R	54.2	Low	55.1	Low	167 Å²	167	120.1 Å²	120.1	63%	0.63	66%	0.664	S	S	*	*	H	α-helix	trans	-75.4	-35.4	176.5	-113.1	-168.2	-177.8	-156.2	0.8	113.5	Y26 L27 V28	Y26-R30 PolarHBondContact O-N 3.3Å; L27-R30 PolarHBondContact O-N 3.47Å; V28-R30 VanDerWaalsContact C-N 3.32Å; V28-R30 PolarHBondContact O-N 2.99Å
31	V	54.4	Low	53	Low	101 Å²	101	122.4 Å²	122.4	61%	0.612	68%	0.675	S	S	*	*	H	α-helix	trans	-73.2	-36.4	177	175.5	0	0	0	0	110.5	L27 V28 S33	L27-V31 WeakPolarHBondContact O-CG2 3.38Å; L27-V31 PolarHBondContact O-N 3.15Å; V28-V31 PolarHBondContact O-N 3.08Å; V31-S33 VanDerWaalsContact C-N 3.27Å; V31-S33 PolarHBondContact O-N 3.39Å
32	G	42.1	Very low	50.8	Low	64 Å²	64	124.4 Å²	124.4	66%	0.66	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.8	-9.8	177.6	0	0	0	0	0	116.3	V28	V28-G32 PolarHBondContact O-N 3.28Å
33	S	42.2	Very low	48.8	Very low	100 Å²	100	130.6 Å²	130.6	70%	0.699	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.2	3.9	-179.8	-165.4	0	0	0	0	114.2	V31	V31-S33 VanDerWaalsContact C-N 3.27Å; V31-S33 PolarHBondContact O-N 3.39Å
34	L	39.3	Very low	46.9	Very low	144 Å²	144	136.5 Å²	136.5	75%	0.754	73%	0.731	S	S	*	*	S	Bend	trans	-95.3	-4.5	-178.7	-97.8	150.2	0	0	0	114.6
35	D	39.8	Very low	44.9	Very low	155 Å²	155	134.4 Å²	134.4	83%	0.829	74%	0.738	S	S	*	*	S	Bend	trans	-108.4	24.3	-176.8	-80.1	-24.6	0	0	0	115
36	R	40.3	Very low	42.9	Very low	233 Å²	233	140.2 Å²	140.2	88%	0.879	75%	0.752	S	S	*	*			trans	-131.5	78.6	169.5	-75.9	-170.7	-160.7	-149.6	3.4	112.9
37	L	35.2	Very low	40.8	Very low	176 Å²	176	141.8 Å²	141.8	92%	0.921	77%	0.769	S	S	*	*			trans	-131.3	106.6	148.1	-76.6	171.3	0	0	0	107.7
38	Q	34.8	Very low	38.9	Very low	180 Å²	180	140.4 Å²	140.4	84%	0.841	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-69.2	147.4	177	-69.4	178.5	-59.7	0	0	110.9
39	P	32.2	Very low	37	Very low	126 Å²	126	139.9 Å²	139.9	82%	0.818	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-75.3	123.2	171.5	29.3	-29.9	0	0	0	110.3
40	I	34.6	Very low	35.3	Very low	170 Å²	170	141.5 Å²	141.5	87%	0.872	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-84.2	130.8	168.4	-65.1	169.7	0	0	0	108.2
41	C	31.8	Very low	34.4	Very low	110 Å²	110	145.6 Å²	145.6	74%	0.743	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-52.9	161.6	-176.3	-71.9	0	0	0	0	116.2
42	P	30.6	Very low	33.4	Very low	127 Å²	127	146.2 Å²	146.2	83%	0.825	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-82.1	140.2	179.7	34.1	-31.7	0	0	0	111.3
43	I	32.4	Very low	32.9	Very low	167 Å²	167	152 Å²	152	86%	0.856	84%	0.843	S	S	*	*			trans	-107.4	114.7	165.1	-62.4	177.4	0	0	0	107.6
44	E	32.4	Very low	32.7	Very low	198 Å²	198	152.2 Å²	152.2	93%	0.925	85%	0.85	S	S	*	*			trans	-64.7	127.6	160.7	-94.7	177.7	149.8	0	0	109.9
45	G	27.9	Very low	32.5	Very low	73 Å²	73	153.8 Å²	153.8	75%	0.753	85%	0.854	S	S	*	*			trans	-153.9	106.3	172	0	0	0	0	0	110
46	R	29	Very low	32.7	Very low	237 Å²	237	149.6 Å²	149.6	89%	0.894	83%	0.828	S	S	*	*			trans	-70.2	158.2	177.1	-84.8	-179	177.2	-172.2	0.4	112.7
47	L	28.9	Very low	32.8	Very low	177 Å²	177	142 Å²	142	93%	0.927	81%	0.809	S	S	*	*			trans	89	128.2	151.9	-70.9	146.6	0	0	0	119.7
48	G	25.1	Very low	33	Very low	79 Å²	79	140 Å²	140	81%	0.814	80%	0.799	S	S	*	*			trans	129.3	101.7	146.7	0	0	0	0	0	115.1
49	G	28.5	Very low	33.3	Very low	85 Å²	85	141.3 Å²	141.3	88%	0.876	80%	0.796	S	S	*	*			trans	-72.2	147.4	-178.1	0	0	0	0	0	115.3
50	A	26.4	Very low	33.8	Very low	103 Å²	103	136.7 Å²	136.7	85%	0.851	77%	0.768	S	S	*	*			trans	-158.2	103.8	148.6	0	0	0	0	0	109	S52	A50-S52 PolarHBondContact O-N 3.45Å
51	R	34.1	Very low	34.2	Very low	253 Å²	253	130.9 Å²	130.9	96%	0.955	74%	0.739	S	S	*	*			trans	-72.6	115.3	165.4	-109.8	177.9	173.4	174.4	-1.6	107.8
52	S	34	Very low	34.7	Very low	113 Å²	113	132.1 Å²	132.1	79%	0.79	73%	0.734	S	S	*	*			trans	164.8	88.7	132.6	66.9	0	0	0	0	112.6	A50	A50-S52 PolarHBondContact O-N 3.45Å
53	Q	31.5	Very low	35.3	Very low	187 Å²	187	128.7 Å²	128.7	87%	0.874	71%	0.706	S	S	*	*			trans	-143.7	124	136.9	-71.2	-165.6	-2.9	0	0	105.5	E55	Q53-E55 VanDerWaalsContact C-N 3.26Å; Q53-E55 PolarHBondContact O-N 3.15Å
54	A	37.5	Very low	36	Very low	103 Å²	103	123.7 Å²	123.7	85%	0.851	68%	0.678	S	S	*	*			trans	-66.7	91.7	175.1	0	0	0	0	0	108.2	F56	A54-F56 PolarHBondContact O-N 3.33Å; A54-F56 VanDerWaalsContact O-N 3.07Å
55	E	35.5	Very low	36.6	Very low	178 Å²	178	123.8 Å²	123.8	83%	0.832	67%	0.67	S	S	*	*			trans	-58.2	112	169.4	-74.6	-175.5	153.1	0	0	108.1	Q53 P57	Q53-E55 VanDerWaalsContact C-N 3.26Å; Q53-E55 PolarHBondContact O-N 3.15Å; E55-P57 VanDerWaalsContact O-CD 3.27Å; E55-P57 WeakPolarHBondContact O-CD 3.42Å; E55-P57 VanDerWaalsContact O-N 3.12Å
56	F	44.7	Very low	37.2	Very low	66 Å²	66	122.8 Å²	122.8	29%	0.289	66%	0.66	S	S	.	*			trans	-55.2	118.1	166.9	-98.3	-90.2	0	0	0	107.7	A54 L58 A115 P276	A54-F56 PolarHBondContact O-N 3.33Å; A54-F56 VanDerWaalsContact O-N 3.07Å; F56-L58 PolarHBondContact O-N 3.34Å; F56-L58 VanDerWaalsContact O-N 3.15Å; F56-A115 HydrophobicContact CE1-CB 3.68Å; F56-A115 HydrophobicContact CZ-CB 3.76Å; F56-P276 HydrophobicContact CD2-CG 4.41Å; F56-P276 HydrophobicContact CE2-CG 4.1Å
57	P	41.5	Very low	37.7	Very low	75 Å²	75	115.4 Å²	115.4	49%	0.487	64%	0.638	S	S	.	*			trans	-57.4	126.8	-176.7	-22.9	31.5	0	0	0	109.5	E55 R59 A60	E55-P57 VanDerWaalsContact O-CD 3.27Å; E55-P57 WeakPolarHBondContact O-CD 3.42Å; E55-P57 VanDerWaalsContact O-N 3.12Å; P57-R59 PolarHBondContact O-N 3.36Å; P57-A60 WeakPolarHBondContact O-CB 3.44Å; P57-A60 PolarHBondContact O-N 3.48Å
58	L	40.8	Very low	38.4	Very low	134 Å²	134	110.8 Å²	110.8	70%	0.702	61%	0.613	S	S	*	*	H	α-helix	trans	-50.6	-27.6	175.1	-83.3	157	0	0	0	112.3	F56 A60 L61 Q62	F56-L58 PolarHBondContact O-N 3.34Å; F56-L58 VanDerWaalsContact O-N 3.15Å; L58-A60 PolarHBondContact O-N 3Å; L58-L61 WeakPolarHBondContact O-CB 3.37Å; L58-L61 PolarHBondContact O-N 3Å; L58-Q62 PolarHBondContact O-N 2.84Å
59	R	39.3	Very low	39.2	Very low	207 Å²	207	112.3 Å²	112.3	78%	0.781	60%	0.599	S	S	*	*	H	α-helix	trans	-58.3	-42	171.2	-101.6	-178.6	174.6	-176.7	-1.3	113.8	P57 L61 Q62 F63	P57-R59 PolarHBondContact O-N 3.36Å; R59-L61 VanDerWaalsContact C-N 3.27Å; R59-L61 PolarHBondContact O-N 2.93Å; R59-Q62 PolarHBondContact O-N 2.69Å; R59-F63 WeakPolarHBondContact O-CB 3.39Å; R59-F63 PolarHBondContact O-N 2.85Å
60	A	43.7	Very low	39.5	Very low	29 Å²	29	115.9 Å²	115.9	24%	0.24	59%	0.593	C	S	.	*	H	α-helix	trans	-68.2	-28.5	177.6	0	0	0	0	0	112.2	P57 L58	P57-A60 WeakPolarHBondContact O-CB 3.44Å; P57-A60 PolarHBondContact O-N 3.48Å; L58-A60 PolarHBondContact O-N 3Å
61	L	43.7	Very low	40.3	Very low	48 Å²	48	113.2 Å²	113.2	25%	0.251	56%	0.562	S	S	.	*	H	α-helix	trans	-76.5	-37.6	175.3	-77.4	153.3	0	0	0	112.6	L58 R59 P114 R278	L58-L61 WeakPolarHBondContact O-CB 3.37Å; L58-L61 PolarHBondContact O-N 3Å; R59-L61 VanDerWaalsContact C-N 3.27Å; R59-L61 PolarHBondContact O-N 2.93Å; L61-P114 HydrophobicContact CD2-CB 3.62Å; L61-P114 HydrophobicContact CD2-CG 3.54Å; L61-R278 VanDerWaalsContact CD2-NH1 3.26Å
62	Q	41.3	Very low	40.9	Very low	136 Å²	136	107.4 Å²	107.4	64%	0.636	54%	0.54	S	S	*	.	H	α-helix	trans	-73.8	-32.3	177.6	-75.2	174.5	-20	0	0	112.5	L58 R59 K64 R65	L58-Q62 PolarHBondContact O-N 2.84Å; R59-Q62 PolarHBondContact O-N 2.69Å; Q62-K64 VanDerWaalsContact C-N 3.26Å; Q62-K64 PolarHBondContact O-N 3.2Å; Q62-R65 WeakPolarHBondContact O-CB 3.3Å; Q62-R65 PolarHBondContact O-N 3.17Å; Q62-R65 VanDerWaalsContact O-N 3.15Å
63	F	43.2	Very low	41.2	Very low	55 Å²	55	111 Å²	111	24%	0.241	54%	0.542	C	S	.	.	G	3₁₀ helix	trans	-68.1	-20.4	-176.5	-131.4	-100.3	0	0	0	114.5	R59 R65 F71 H84	R59-F63 WeakPolarHBondContact O-CB 3.39Å; R59-F63 PolarHBondContact O-N 2.85Å; F63-R65 VanDerWaalsContact C-N 3.27Å; F63-R65 PolarHBondContact O-N 3.29Å; F63-F71 HydrophobicContact CE1-CE2 4.08Å; F63-H84 AromaticContact CE2-CE1 3.76Å; F63-H84 AromaticContact CZ-CE1 3.52Å; F63-H84 AromaticContact CZ-NE2 3.51Å
64	K	47.8	Very low	41.7	Very low	62 Å²	62	105.7 Å²	105.7	27%	0.27	54%	0.537	S	S	.	.	G	3₁₀ helix	trans	-76.1	-11.6	176	-133.3	-175.4	-160.7	-172.6	0	113.5	Q62 G66 N111 H113 V116	Q62-K64 VanDerWaalsContact C-N 3.26Å; Q62-K64 PolarHBondContact O-N 3.2Å; K64-G66 PolarHBondContact O-N 3.49Å; K64-N111 PolarHBondContact NZ-O 2.96Å; K64-H113 PolarHBondContact NZ-O 3.44Å; K64-V116 PolarHBondContact NZ-O 2.68Å
65	R	45.4	Very low	41.9	Very low	199 Å²	199	107.7 Å²	107.7	75%	0.751	53%	0.534	S	S	*	.	G	3₁₀ helix	trans	-85.3	2.1	-167.5	-99.7	-179.3	173.6	179.3	-1.7	116.9	Q62 F63	Q62-R65 WeakPolarHBondContact O-CB 3.3Å; Q62-R65 PolarHBondContact O-N 3.17Å; Q62-R65 VanDerWaalsContact O-N 3.15Å; F63-R65 VanDerWaalsContact C-N 3.27Å; F63-R65 PolarHBondContact O-N 3.29Å
66	G	40.3	Very low	42.7	Very low	53 Å²	53	100.9 Å²	100.9	55%	0.546	51%	0.508	S	S	.	.	T	Hydrogen-bonded Turn	trans	-172.5	-30.8	173.6	0	0	0	0	0	116.3	K64	K64-G66 PolarHBondContact O-N 3.49Å
67	L	39	Very low	43.5	Very low	82 Å²	82	100.1 Å²	100.1	43%	0.429	51%	0.511	S	S	.	.	G	3₁₀ helix	trans	-86.7	-29.8	-166	-111	148.9	0	0	0	114.9	H69 E70 F71	L67-H69 VanDerWaalsContact C-N 3.25Å; L67-H69 PolarHBondContact O-N 2.94Å; L67-E70 PolarHBondContact O-N 2.98Å; L67-F71 HydrophobicContact CB-CD2 4.25Å; L67-F71 HydrophobicContact CB-CE2 3.83Å; L67-F71 HydrophobicContact CD2-CD2 4.18Å; L67-F71 HydrophobicContact CD2-CE2 3.38Å; L67-F71 HydrophobicContact CD2-CZ 3.65Å; L67-F71 HydrophobicContact CG-CE2 4.19Å; L67-F71 WeakPolarHBondContact O-CD2 3.47Å; L67-F71 PolarHBondContact O-N 3.42Å; L67-F71 VanDerWaalsContact O-N 3.1Å
68	L	44	Very low	44.5	Very low	79 Å²	79	104.9 Å²	104.9	41%	0.414	52%	0.524	S	S	.	.	G	3₁₀ helix	trans	-73.9	-9.2	178.8	-93.9	155.2	0	0	0	115	F71	L68-F71 HydrophobicContact CD2-CB 4.08Å; L68-F71 HydrophobicContact CD2-CD2 4.38Å; L68-F71 HydrophobicContact CG-CD2 4.15Å
69	H	41.2	Very low	45.4	Very low	111 Å²	111	105.7 Å²	105.7	51%	0.514	52%	0.524	S	S	.	.	G	3₁₀ helix	trans	-74.6	-29.5	166.2	-162.1	-69.3	0	0	0	111.3	L67 R72	L67-H69 VanDerWaalsContact C-N 3.25Å; L67-H69 PolarHBondContact O-N 2.94Å; H69-R72 VanDerWaalsContact O-CB 3.3Å; H69-R72 WeakPolarHBondContact O-CB 3.49Å
70	E	35.5	Very low	46.5	Very low	160 Å²	160	99.3 Å²	99.3	75%	0.748	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-36.2	175.5	-66.5	-149.1	146.1	0	0	113	L67 R72	L67-E70 PolarHBondContact O-N 2.98Å; E70-R72 PolarHBondContact O-N 3.47Å
71	F	43.4	Very low	47.7	Very low	47 Å²	47	99.2 Å²	99.2	21%	0.206	50%	0.5	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-6.3	172.4	-69	-63.6	0	0	0	114.2	F63 L67 L68 K73 A76	F63-F71 HydrophobicContact CE1-CE2 4.08Å; L67-F71 HydrophobicContact CB-CD2 4.25Å; L67-F71 HydrophobicContact CB-CE2 3.83Å; L67-F71 HydrophobicContact CD2-CD2 4.18Å; L67-F71 HydrophobicContact CD2-CE2 3.38Å; L67-F71 HydrophobicContact CD2-CZ 3.65Å; L67-F71 HydrophobicContact CG-CE2 4.19Å; L67-F71 WeakPolarHBondContact O-CD2 3.47Å; L67-F71 PolarHBondContact O-N 3.42Å; L67-F71 VanDerWaalsContact O-N 3.1Å; L68-F71 HydrophobicContact CD2-CB 4.08Å; L68-F71 HydrophobicContact CD2-CD2 4.38Å; L68-F71 HydrophobicContact CG-CD2 4.15Å; F71-K73 VanDerWaalsContact C-N 3.3Å; F71-K73 PolarHBondContact O-N 2.95Å; F71-A76 HydrophobicContact CD1-CB 4Å; F71-A76 HydrophobicContact CE1-CB 4.44Å
72	R	46.2	Very low	48.7	Very low	132 Å²	132	106.4 Å²	106.4	50%	0.498	52%	0.523	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-8.5	-172.6	-137.1	176	-171.3	164.1	11.2	114.3	H69 E70	H69-R72 VanDerWaalsContact O-CB 3.3Å; H69-R72 WeakPolarHBondContact O-CB 3.49Å; E70-R72 PolarHBondContact O-N 3.47Å
73	K	39.3	Very low	50.2	Low	187 Å²	187	106 Å²	106	81%	0.813	53%	0.525	S	S	*	.	S	Bend	trans	-108.6	65.5	175.5	-77	-173.5	175.4	-180	0	111.3	F71 N75	F71-K73 VanDerWaalsContact C-N 3.3Å; F71-K73 PolarHBondContact O-N 2.95Å; K73-N75 PolarHBondContact O-N 3.05Å
74	G	42.4	Very low	51.6	Low	76 Å²	76	105.9 Å²	105.9	78%	0.784	53%	0.525	S	S	*	.	S	Bend	trans	60.8	-7.1	157.5	0	0	0	0	0	120
75	N	41	Very low	53.3	Low	145 Å²	145	108.8 Å²	108.8	78%	0.775	54%	0.544	S	S	*	.			trans	-127.7	54	-169.3	-72.5	-0.9	0	0	0	110.9	K73 S77	K73-N75 PolarHBondContact O-N 3.05Å; N75-S77 PolarHBondContact O-N 3.37Å
76	A	54	Low	55.4	Low	35 Å²	35	101 Å²	101	29%	0.289	52%	0.517	S	S	.	.			trans	-67.6	119.8	152.5	0	0	0	0	0	105.8	F71 V81	F71-A76 HydrophobicContact CD1-CB 4Å; F71-A76 HydrophobicContact CE1-CB 4.44Å; A76-V81 HydrophobicContact CB-CG2 4.04Å
77	S	60.5	Low	57.8	Low	51 Å²	51	101.6 Å²	101.6	36%	0.357	51%	0.51	S	S	.	.			trans	-59.8	145.5	176.7	72.7	0	0	0	0	108.3	N75 E79 Q80 V81	N75-S77 PolarHBondContact O-N 3.37Å; S77-E79 PolarHBondContact O-N 3.41Å; S77-Q80 PolarHBondContact O-N 2.85Å; S77-Q80 WeakPolarHBondContact OG-CG 3.37Å; S77-Q80 PolarHBondContact OG-N 3.04Å; S77-V81 PolarHBondContact O-N 3.38Å
78	K	62.9	Low	60.5	Low	175 Å²	175	100.2 Å²	100.2	76%	0.761	50%	0.501	S	S	*	.	H	α-helix	trans	-51.1	-27.6	176.9	-73.7	179.5	178.5	174.6	0	112	R82	K78-R82 WeakPolarHBondContact O-CG 3.42Å; K78-R82 PolarHBondContact O-N 3.01Å
79	E	59.9	Low	62.9	Low	150 Å²	150	98.1 Å²	98.1	70%	0.701	49%	0.489	S	S	*	.	H	α-helix	trans	-69.3	-43.5	177	-163	167.1	-166	0	0	112.9	S77 V81 R82 L83	S77-E79 PolarHBondContact O-N 3.41Å; E79-V81 PolarHBondContact O-N 3.46Å; E79-R82 PolarHBondContact O-N 3.3Å; E79-L83 WeakPolarHBondContact O-CB 3.24Å; E79-L83 PolarHBondContact O-N 3.48Å
80	Q	62	Low	65.6	Low	74 Å²	74	95.6 Å²	95.6	35%	0.346	48%	0.479	S	S	.	.	H	α-helix	trans	-67.1	-34.8	176.3	-72	166.2	-25.9	0	0	112.9	S77 R82 L83 H84	S77-Q80 PolarHBondContact O-N 2.85Å; S77-Q80 WeakPolarHBondContact OG-CG 3.37Å; S77-Q80 PolarHBondContact OG-N 3.04Å; Q80-R82 VanDerWaalsContact C-N 3.33Å; Q80-L83 PolarHBondContact O-N 3.47Å; Q80-H84 PolarHBondContact O-CD2 3.32Å; Q80-H84 PolarHBondContact O-N 3.27Å
81	V	67.9	Low	68.6	Low	27 Å²	27	88.1 Å²	88.1	16%	0.164	44%	0.444	C	S	.	.	H	α-helix	trans	-64.2	-41.6	174.8	176.4	0	0	0	0	110.6	A76 S77 E79 D85 L86 F145	A76-V81 HydrophobicContact CB-CG2 4.04Å; S77-V81 PolarHBondContact O-N 3.38Å; E79-V81 PolarHBondContact O-N 3.46Å; V81-D85 PolarHBondContact O-N 3.16Å; V81-L86 HydrophobicContact CG1-CB 4.23Å; V81-L86 WeakPolarHBondContact CG1-O 3.4Å; V81-L86 PolarHBondContact O-N 3.43Å; V81-L86 VanDerWaalsContact O-N 3.11Å; V81-F145 HydrophobicContact CG1-CD1 4.04Å; V81-F145 HydrophobicContact CG1-CE1 3.65Å; V81-F145 HydrophobicContact CG1-CZ 4.32Å; V81-F145 HydrophobicContact CG2-CE1 4.31Å; V81-F145 HydrophobicContact CG2-CZ 4.34Å
82	R	66.4	Low	71.3	Confident	198 Å²	198	90.5 Å²	90.5	75%	0.747	45%	0.454	S	S	*	.	H	α-helix	trans	-70.6	-39.4	176.5	-71.5	178.5	-172.1	-173.4	1.2	112.5	K78 E79 Q80 H84	K78-R82 WeakPolarHBondContact O-CG 3.42Å; K78-R82 PolarHBondContact O-N 3.01Å; E79-R82 PolarHBondContact O-N 3.3Å; Q80-R82 VanDerWaalsContact C-N 3.33Å; R82-H84 PolarHBondContact O-N 2.74Å
83	L	70.9	Confident	73.8	Confident	129 Å²	129	84.2 Å²	84.2	68%	0.675	43%	0.431	S	S	*	.	H	α-helix	trans	-67	-25.3	-177.7	-162.7	111.9	0	0	0	113.2	E79 Q80	E79-L83 WeakPolarHBondContact O-CB 3.24Å; E79-L83 PolarHBondContact O-N 3.48Å; Q80-L83 PolarHBondContact O-N 3.47Å
84	H	74	Confident	76.6	Confident	52 Å²	52	75.3 Å²	75.3	24%	0.241	39%	0.392	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115	12.1	-176.4	-71	-66.6	0	0	0	113.9	F63 Q80 R82 L86 Y147	F63-H84 AromaticContact CE2-CE1 3.76Å; F63-H84 AromaticContact CZ-CE1 3.52Å; F63-H84 AromaticContact CZ-NE2 3.51Å; Q80-H84 PolarHBondContact O-CD2 3.32Å; Q80-H84 PolarHBondContact O-N 3.27Å; R82-H84 PolarHBondContact O-N 2.74Å; H84-L86 HydrophobicContact CB-CD1 4.21Å; H84-L86 HydrophobicContact CB-CG 3.9Å; H84-L86 PolarHBondContact O-N 3.11Å; H84-L86 VanDerWaalsContact O-N 3.07Å; H84-Y147 HydrophobicContact CB-CE1 4.13Å; H84-Y147 WeakPolarHBondContact O-CE1 3.45Å
85	D	83	Confident	79.3	Confident	123 Å²	123	71.7 Å²	71.7	66%	0.658	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.3	37.9	-179.4	-62	-44.5	0	0	0	113.5	V81	V81-D85 PolarHBondContact O-N 3.16Å
86	L	89.4	Confident	82.1	Confident	35 Å²	35	64.8 Å²	64.8	18%	0.183	32%	0.318	C	S	.	.			trans	-78.3	132.3	-176.8	-70.6	176.2	0	0	0	110.5	V81 H84 F145 Y147	V81-L86 HydrophobicContact CG1-CB 4.23Å; V81-L86 WeakPolarHBondContact CG1-O 3.4Å; V81-L86 PolarHBondContact O-N 3.43Å; V81-L86 VanDerWaalsContact O-N 3.11Å; H84-L86 HydrophobicContact CB-CD1 4.21Å; H84-L86 HydrophobicContact CB-CG 3.9Å; H84-L86 PolarHBondContact O-N 3.11Å; H84-L86 VanDerWaalsContact O-N 3.07Å; L86-F145 HydrophobicContact CB-CB 4.17Å; L86-F145 HydrophobicContact CB-CD1 4.06Å; L86-F145 HydrophobicContact CB-CG 4.48Å; L86-F145 HydrophobicContact CD1-CB 4.5Å; L86-Y147 HydrophobicContact CD2-CD1 3.79Å; L86-Y147 HydrophobicContact CD2-CD2 4.18Å; L86-Y147 HydrophobicContact CD2-CE1 3.72Å; L86-Y147 HydrophobicContact CD2-CE2 4.11Å; L86-Y147 HydrophobicContact CD2-CG 4.03Å; L86-Y147 HydrophobicContact CG-CE1 4.48Å
87	V	91.8	Very high	84.2	Confident	66 Å²	66	63.1 Å²	63.1	40%	0.4	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	149.5	-179	-69.4	0	0	0	0	111.8	Q89 S146	V87-Q89 HydrophobicContact CB-CG 4.47Å; V87-Q89 HydrophobicContact CG2-CG 3.63Å; V87-S146 PolarHBondContact N-O 3.15Å; V87-S146 PolarHBondContact O-N 3.45Å; V87-S146 PolarHBondContact O-OG 3.44Å
88	Q	94.4	Very high	86	Confident	52 Å²	52	60.7 Å²	60.7	24%	0.243	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	110.4	167	-63.7	-176.4	-75.5	0	0	108.4	R140 K141 M143 F145	Q88-R140 HydrophobicContact CB-CG 4.37Å; Q88-R140 WeakPolarHBondContact O-CD 3.44Å; Q88-R140 VanDerWaalsContact O-CG 3.24Å; Q88-R140 WeakPolarHBondContact O-CG 3.49Å; Q88-K141 VanDerWaalsContact NE2-C 3.29Å; Q88-K141 PolarHBondContact NE2-O 3.04Å; Q88-M143 PolarHBondContact NE2-O 3.2Å; Q88-F145 HydrophobicContact CG-CD1 3.88Å; Q88-F145 HydrophobicContact CG-CD2 4.31Å; Q88-F145 HydrophobicContact CG-CE1 3.77Å; Q88-F145 HydrophobicContact CG-CE2 4.2Å; Q88-F145 HydrophobicContact CG-CG 4.16Å; Q88-F145 HydrophobicContact CG-CZ 3.93Å
89	Q	95.3	Very high	87.7	Confident	36 Å²	36	57 Å²	57	17%	0.168	27%	0.268	C	S	.	.			trans	-104.9	143	-179.2	-59.7	178.8	78	0	0	109.9	V87 M143 S146 Y147	V87-Q89 HydrophobicContact CB-CG 4.47Å; V87-Q89 HydrophobicContact CG2-CG 3.63Å; Q89-M143 VanDerWaalsContact O-CB 3.27Å; Q89-M143 WeakPolarHBondContact O-CB 3.36Å; Q89-M143 VanDerWaalsContact O-CG 3.25Å; Q89-M143 WeakPolarHBondContact O-CG 3.49Å; Q89-S146 PolarHBondContact NE2-OG 3.21Å; Q89-Y147 PolarHBondContact NE2-O 3.42Å
90	L	98.4	Very high	89.5	Confident	58 Å²	58	51.4 Å²	51.4	30%	0.304	24%	0.242	S	C	.	.			trans	-57.4	149.7	166.5	-69.2	176.6	0	0	0	110.3	K92 I136 Y139 R140 M172	L90-K92 PolarHBondContact O-N 3.11Å; L90-I136 HydrophobicContact CD1-CD1 4.06Å; L90-I136 HydrophobicContact CD1-CG1 3.8Å; L90-I136 HydrophobicContact CD2-CD1 3.82Å; L90-I136 HydrophobicContact CD2-CG1 4.01Å; L90-Y139 HydrophobicContact CD2-CD1 3.65Å; L90-Y139 HydrophobicContact CD2-CE1 4.24Å; L90-R140 HydrophobicContact CD2-CB 3.82Å; L90-R140 HydrophobicContact CD2-CG 4.31Å; L90-R140 HydrophobicContact CG-CB 4.38Å; L90-R140 HydrophobicContact CG-CG 4.4Å; L90-M172 HydrophobicContact CD1-CG 4.3Å; L90-M172 HydrophobicContact CD1-SD 4.29Å; L90-M172 HydrophobicContact CD2-SD 4.34Å
91	P	98.4	Very high	91.2	Very high	3 Å²	3	47.9 Å²	47.9	2%	0.019	23%	0.225	C	C	.	.			trans	-64.4	135.3	179.8	26.4	-32.5	0	0	0	110.9	I94 Y139 M143 T152 E154 I176	P91-I94 HydrophobicContact CB-CG1 4.12Å; P91-I94 HydrophobicContact CG-CD1 4.12Å; P91-I94 HydrophobicContact CG-CG1 3.99Å; P91-Y139 HydrophobicContact CG-CE1 3.8Å; P91-Y139 WeakPolarHBondContact CG-OH 3.49Å; P91-M143 HydrophobicContact CG-SD 4.44Å; P91-T152 VanDerWaalsContact CA-O 3.26Å; P91-T152 WeakPolarHBondContact CA-O 3.4Å; P91-T152 HydrophobicContact CB-CG2 4.32Å; P91-E154 HydrophobicContact CB-CB 4.22Å; P91-E154 HydrophobicContact CG-CB 4.3Å; P91-I176 WeakPolarHBondContact O-CD1 3.33Å
92	K	98.6	Very high	92.6	Very high	96 Å²	96	47.9 Å²	47.9	42%	0.417	23%	0.231	S	C	.	.	S	Bend	trans	-90.9	-12.4	170.6	-51.8	175.2	178.7	164.7	0	111.8	L90 I151 T152 I176 K177	L90-K92 PolarHBondContact O-N 3.11Å; K92-I151 HydrophobicContact CB-CD1 3.84Å; K92-I151 HydrophobicContact CB-CG1 3.9Å; K92-T152 PolarHBondContact N-O 3.41Å; K92-T152 VanDerWaalsContact N-O 3.13Å; K92-I176 WeakPolarHBondContact O-CG1 3.24Å; K92-K177 PolarHBondContact O-N 3.26Å
93	A	98.8	Very high	94.1	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	146.4	168.4	0	0	0	0	0	112	I151 I153 E154 K177 L273	A93-I151 HydrophobicContact CB-CD1 3.96Å; A93-I153 HydrophobicContact CB-CG1 4.35Å; A93-I153 WeakPolarHBondContact O-CA 3.43Å; A93-E154 PolarHBondContact O-N 2.95Å; A93-K177 WeakPolarHBondContact CA-O 3.42Å; A93-K177 HydrophobicContact CB-CB 4.15Å; A93-L273 HydrophobicContact CB-CD2 3.6Å
94	I	98.9	Very high	95.4	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	130.9	178.5	-56.8	175.4	0	0	0	109.7	P91 I96 F126 Y159 I169 M172 I176 K177 L178 L179	P91-I94 HydrophobicContact CB-CG1 4.12Å; P91-I94 HydrophobicContact CG-CD1 4.12Å; P91-I94 HydrophobicContact CG-CG1 3.99Å; I94-I96 HydrophobicContact CB-CG2 4.05Å; I94-I96 HydrophobicContact CG2-CG2 3.64Å; I94-I96 PolarHBondContact O-N 3.45Å; I94-F126 HydrophobicContact CD1-CE2 4.11Å; I94-Y159 HydrophobicContact CG2-CD2 3.99Å; I94-Y159 HydrophobicContact CG2-CE2 4.07Å; I94-I169 HydrophobicContact CD1-CD1 4.18Å; I94-I169 HydrophobicContact CD1-CG2 4.36Å; I94-M172 HydrophobicContact CD1-CE 4.26Å; I94-I176 HydrophobicContact CD1-CD1 3.56Å; I94-I176 HydrophobicContact CG1-CD1 3.71Å; I94-K177 PolarHBondContact N-O 3.13Å; I94-K177 VanDerWaalsContact N-O 3.07Å; I94-L178 HydrophobicContact CB-CD2 4.35Å; I94-L179 PolarHBondContact O-N 2.76Å
95	I	98.9	Very high	96.5	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	95.3	167.3	-56.3	169.6	0	0	0	107.9	T103 L106 L107 L110 I153 E154 K155 S156 L179 I181	I95-T103 HydrophobicContact CG2-CG2 3.92Å; I95-L106 HydrophobicContact CD1-CB 4.4Å; I95-L106 HydrophobicContact CD1-CD2 3.94Å; I95-L106 HydrophobicContact CD1-CG 3.94Å; I95-L106 HydrophobicContact CG1-CD2 4.22Å; I95-L106 HydrophobicContact CG2-CD2 4.28Å; I95-L107 HydrophobicContact CD1-CB 3.87Å; I95-L107 HydrophobicContact CD1-CD1 3.86Å; I95-L107 HydrophobicContact CD1-CG 4.48Å; I95-L110 HydrophobicContact CD1-CD1 4.39Å; I95-I153 HydrophobicContact CD1-CG2 4.23Å; I95-I153 HydrophobicContact CG1-CG2 4.13Å; I95-E154 PolarHBondContact N-O 2.99Å; I95-K155 HydrophobicContact CB-CB 3.96Å; I95-K155 HydrophobicContact CB-CG 3.77Å; I95-K155 HydrophobicContact CD1-CB 4.35Å; I95-K155 HydrophobicContact CD1-CG 4.3Å; I95-K155 HydrophobicContact CG2-CG 3.86Å; I95-K155 WeakPolarHBondContact O-CA 3.48Å; I95-S156 PolarHBondContact O-N 3.49Å; I95-L179 WeakPolarHBondContact CA-O 3.28Å; I95-L179 HydrophobicContact CB-CB 4.39Å; I95-L179 HydrophobicContact CG1-CB 3.88Å; I95-L179 HydrophobicContact CG1-CD1 3.91Å; I95-I181 HydrophobicContact CG2-CG2 4.43Å
96	I	98.9	Very high	97.3	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	-16.4	-171	58.3	172.4	0	0	0	113.3	I94 S156 P157 Y159 F160 I169 L178 L179 I180 W241 F250	I94-I96 HydrophobicContact CB-CG2 4.05Å; I94-I96 HydrophobicContact CG2-CG2 3.64Å; I94-I96 PolarHBondContact O-N 3.45Å; I96-S156 VanDerWaalsContact O-O 3.08Å; I96-P157 CarbonylContact O-C 3.57Å; I96-P157 WeakPolarHBondContact O-CA 3.35Å; I96-Y159 HydrophobicContact CG2-CD2 4.35Å; I96-F160 HydrophobicContact CD1-CD2 4.06Å; I96-F160 HydrophobicContact CG1-CD2 4.38Å; I96-F160 VanDerWaalsContact O-CB 3.31Å; I96-F160 WeakPolarHBondContact O-CB 3.34Å; I96-F160 PolarHBondContact O-N 3.37Å; I96-I169 HydrophobicContact CG2-CD1 4.42Å; I96-L178 HydrophobicContact CD1-CB 4.31Å; I96-L178 HydrophobicContact CG2-CD2 3.81Å; I96-L179 PolarHBondContact N-O 2.95Å; I96-I180 HydrophobicContact CD1-CD1 4.17Å; I96-I180 HydrophobicContact CD1-CG1 3.77Å; I96-I180 HydrophobicContact CG1-CG1 3.82Å; I96-W241 HydrophobicContact CB-CH2 3.79Å; I96-W241 HydrophobicContact CB-CZ2 3.98Å; I96-W241 HydrophobicContact CD1-CD2 3.72Å; I96-W241 HydrophobicContact CD1-CE3 3.71Å; I96-W241 HydrophobicContact CD1-CH2 3.57Å; I96-W241 HydrophobicContact CD1-CZ2 3.59Å; I96-W241 HydrophobicContact CD1-CZ3 3.63Å; I96-W241 HydrophobicContact CG1-CH2 4.28Å; I96-W241 HydrophobicContact CG1-CZ2 4.33Å; I96-W241 HydrophobicContact CG2-CH2 3.49Å; I96-W241 VanDerWaalsContact CG2-CH2 3.49Å; I96-W241 HydrophobicContact CG2-CZ2 4.2Å; I96-W241 HydrophobicContact CG2-CZ3 3.99Å; I96-F250 HydrophobicContact CD1-CE1 4.14Å
97	G	98.5	Very high	97.7	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	172.5	-175.2	-173.3	0	0	0	0	0	113.8	T103 I181	G97-T103 WeakPolarHBondContact O-CG2 3.33Å; G97-I181 WeakPolarHBondContact O-CG2 3.12Å; G97-I181 PolarHBondContact O-N 3.44Å
98	V	98.4	Very high	98	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.116	C	C	.	.			cis	-96.4	152.1	-5	-170.1	0	0	0	0	110	K100 G101 T103 F160 I180 I181 V182 T231 Y234	V98-K100 PolarHBondContact O-N 3.15Å; V98-G101 PolarHBondContact O-N 3.03Å; V98-T103 WeakPolarHBondContact O-CG2 3.3Å; V98-F160 HydrophobicContact CB-CD1 4.3Å; V98-F160 HydrophobicContact CG1-CD1 4.04Å; V98-F160 HydrophobicContact CG1-CE1 4.47Å; V98-F160 HydrophobicContact CG2-CD1 3.47Å; V98-F160 VanDerWaalsContact CG2-CD1 3.47Å; V98-F160 HydrophobicContact CG2-CE1 3.49Å; V98-F160 VanDerWaalsContact CG2-CE1 3.49Å; V98-F160 HydrophobicContact CG2-CG 4.07Å; V98-F160 HydrophobicContact CG2-CZ 4.16Å; V98-I180 HydrophobicContact CG2-CG2 3.92Å; V98-I181 PolarHBondContact N-O 3.4Å; V98-V182 HydrophobicContact CG2-CG1 3.9Å; V98-T231 HydrophobicContact CG1-CG2 3.63Å; V98-Y234 HydrophobicContact CB-CE1 4.24Å; V98-Y234 HydrophobicContact CG1-CE1 4.1Å; V98-Y234 HydrophobicContact CG2-CD1 4.01Å; V98-Y234 HydrophobicContact CG2-CE1 4.01Å
99	R	98.3	Very high	98.2	Very high	98 Å²	98	22 Å²	22	37%	0.37	11%	0.107	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.9	128.3	170.7	-174.4	-172.1	156.8	149.4	-6.9	109.4	G101 P157 R188 D192	R99-G101 VanDerWaalsContact C-N 3.25Å; R99-G101 PolarHBondContact O-N 3.27Å; R99-P157 HydrophobicContact CB-CB 4.18Å; R99-R188 PolarHBondContact O-NH1 3.31Å; R99-D192 IonicContact CZ-OD1 2.67Å; R99-D192 IonicContact NE-OD1 3.45Å; R99-D192 PolarHBondContact NE-OD1 2.94Å; R99-D192 IonicContact NE-OD2 3.49Å; R99-D192 PolarHBondContact NE-OD2 3.07Å; R99-D192 IonicContact NH2-OD1 3.14Å; R99-D192 PolarHBondContact NH2-OD1 2.82Å
100	K	98.1	Very high	98.3	Very high	32 Å²	32	20.4 Å²	20.4	14%	0.139	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.6	3.4	-174.6	-47.3	-52.5	-49.9	-132.9	0	116.9	V98 G102 R188 S191 D192	V98-K100 PolarHBondContact O-N 3.15Å; K100-G102 VanDerWaalsContact C-N 3.28Å; K100-G102 PolarHBondContact O-N 3.05Å; K100-R188 HydrophobicContact CB-CG 4.09Å; K100-S191 VanDerWaalsContact CE-O 3.3Å; K100-S191 WeakPolarHBondContact CE-O 3.04Å; K100-S191 VanDerWaalsContact CE-OG 3.26Å; K100-S191 WeakPolarHBondContact CE-OG 3.36Å; K100-S191 PolarHBondContact NZ-O 2.87Å; K100-D192 HydrophobicContact CG-CB 3.86Å
101	G	97.9	Very high	98.2	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-19.2	174.6	0	0	0	0	0	114.5	V98 R99 I181 R183	V98-G101 PolarHBondContact O-N 3.03Å; R99-G101 VanDerWaalsContact C-N 3.25Å; R99-G101 PolarHBondContact O-N 3.27Å; G101-I181 WeakPolarHBondContact O-CD1 3.27Å; G101-I181 WeakPolarHBondContact O-CG1 3.25Å; G101-R183 WeakPolarHBondContact O-CD 3.38Å; G101-R183 VanDerWaalsContact O-CG 3.31Å; G101-R183 WeakPolarHBondContact O-CG 3.32Å
102	G	97.9	Very high	98.1	Very high	28 Å²	28	19.5 Å²	19.5	29%	0.289	10%	0.095	S	C	.	.	T	Hydrogen-bonded Turn	trans	116.4	13.3	-174.6	0	0	0	0	0	113.9	K100 R104 A105 L106	K100-G102 VanDerWaalsContact C-N 3.28Å; K100-G102 PolarHBondContact O-N 3.05Å; G102-R104 PolarHBondContact O-N 2.96Å; G102-A105 WeakPolarHBondContact O-CA 3.26Å; G102-A105 VanDerWaalsContact O-CB 3.32Å; G102-A105 WeakPolarHBondContact O-CB 3.46Å; G102-A105 PolarHBondContact O-N 3.14Å; G102-L106 PolarHBondContact O-N 3.26Å
103	T	98.3	Very high	98.1	Very high	10 Å²	10	15 Å²	15	6%	0.061	8%	0.075	C	C	.	.	H	α-helix	trans	-46.7	-40.4	-177.3	59.7	0	0	0	0	114.3	I95 G97 V98 L107 K155 P157 I181	I95-T103 HydrophobicContact CG2-CG2 3.92Å; G97-T103 WeakPolarHBondContact O-CG2 3.33Å; V98-T103 WeakPolarHBondContact O-CG2 3.3Å; T103-L107 WeakPolarHBondContact O-CB 3.49Å; T103-L107 PolarHBondContact O-N 3.37Å; T103-K155 WeakPolarHBondContact O-CD 3.48Å; T103-P157 HydrophobicContact CG2-CB 4.11Å; T103-P157 HydrophobicContact CG2-CG 3.96Å; T103-P157 WeakPolarHBondContact OG1-CG 3.43Å; T103-I181 HydrophobicContact CG2-CG2 3.46Å; T103-I181 VanDerWaalsContact CG2-CG2 3.46Å
104	R	97.5	Very high	97.9	Very high	70 Å²	70	16 Å²	16	26%	0.264	8%	0.082	S	C	.	.	H	α-helix	trans	-70.4	-37.6	177.6	-176.3	58.2	178.2	-142.4	3.8	112.6	G102 E108 S120	G102-R104 PolarHBondContact O-N 2.96Å; R104-E108 HydrophobicContact CG-CG 4.4Å; R104-E108 IonicContact CZ-OE1 2.65Å; R104-E108 IonicContact NE-OE1 3.56Å; R104-E108 PolarHBondContact NE-OE1 3.34Å; R104-E108 IonicContact NH2-OE1 3.64Å; R104-E108 PolarHBondContact NH2-OE1 2.82Å; R104-E108 VanDerWaalsContact O-CG 3.29Å; R104-E108 WeakPolarHBondContact O-CG 3.37Å; R104-E108 PolarHBondContact O-N 2.82Å; R104-E108 VanDerWaalsContact O-N 3.09Å; R104-S120 PolarHBondContact NH1-O 2.98Å
105	A	97.9	Very high	97.8	Very high	18 Å²	18	16.1 Å²	16.1	15%	0.149	8%	0.082	C	C	.	.	H	α-helix	trans	-62.9	-51	176.1	0	0	0	0	0	109.5	G102 L107 E108 M109 L258 L305	G102-A105 WeakPolarHBondContact O-CA 3.26Å; G102-A105 VanDerWaalsContact O-CB 3.32Å; G102-A105 WeakPolarHBondContact O-CB 3.46Å; G102-A105 PolarHBondContact O-N 3.14Å; A105-L107 PolarHBondContact O-N 3.01Å; A105-E108 PolarHBondContact O-N 3.43Å; A105-M109 WeakPolarHBondContact O-CB 3.34Å; A105-M109 WeakPolarHBondContact O-CG 3.41Å; A105-M109 PolarHBondContact O-N 2.96Å; A105-L258 HydrophobicContact CB-CD2 4.39Å; A105-L305 HydrophobicContact CB-CD1 3.57Å
106	L	98.7	Very high	97.7	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-53.3	-51.2	176.3	-179.8	60.7	0	0	0	111.9	I95 G102 E108 M109 L110 I181 V253 L258 L266 V269	I95-L106 HydrophobicContact CD1-CB 4.4Å; I95-L106 HydrophobicContact CD1-CD2 3.94Å; I95-L106 HydrophobicContact CD1-CG 3.94Å; I95-L106 HydrophobicContact CG1-CD2 4.22Å; I95-L106 HydrophobicContact CG2-CD2 4.28Å; G102-L106 PolarHBondContact O-N 3.26Å; L106-E108 PolarHBondContact O-N 3.45Å; L106-M109 PolarHBondContact O-N 2.73Å; L106-L110 HydrophobicContact CD1-CD1 3.9Å; L106-L110 HydrophobicContact CD1-CD2 4.43Å; L106-L110 HydrophobicContact CD1-CG 3.96Å; L106-L110 HydrophobicContact CG-CD1 3.95Å; L106-L110 HydrophobicContact CG-CG 4.39Å; L106-L110 WeakPolarHBondContact O-CB 3.46Å; L106-L110 VanDerWaalsContact O-CG 3.29Å; L106-L110 WeakPolarHBondContact O-CG 3.49Å; L106-L110 PolarHBondContact O-N 3.47Å; L106-I181 HydrophobicContact CB-CD1 4.2Å; L106-I181 HydrophobicContact CD2-CB 4.08Å; L106-I181 HydrophobicContact CD2-CG2 4.17Å; L106-V253 HydrophobicContact CD1-CG1 4.39Å; L106-V253 HydrophobicContact CD1-CG2 4.33Å; L106-V253 HydrophobicContact CD2-CB 4.42Å; L106-V253 HydrophobicContact CD2-CG2 3.93Å; L106-L258 HydrophobicContact CB-CD2 4.1Å; L106-L266 HydrophobicContact CD1-CD2 4.09Å; L106-V269 HydrophobicContact CD1-CG2 4.31Å
107	L	98.6	Very high	97.7	Very high	3 Å²	3	17.1 Å²	17.1	2%	0.016	9%	0.088	C	C	.	.	H	α-helix	trans	-61.8	-41.1	-179.9	-172.3	71.3	0	0	0	113.1	I95 T103 A105 N111 K118 I153 K155	I95-L107 HydrophobicContact CD1-CB 3.87Å; I95-L107 HydrophobicContact CD1-CD1 3.86Å; I95-L107 HydrophobicContact CD1-CG 4.48Å; T103-L107 WeakPolarHBondContact O-CB 3.49Å; T103-L107 PolarHBondContact O-N 3.37Å; A105-L107 PolarHBondContact O-N 3.01Å; L107-N111 WeakPolarHBondContact O-CB 3.25Å; L107-N111 PolarHBondContact O-N 3.31Å; L107-K118 HydrophobicContact CD1-CB 3.7Å; L107-K118 HydrophobicContact CD2-CB 4.15Å; L107-K118 HydrophobicContact CD2-CD 4.09Å; L107-K118 HydrophobicContact CG-CB 3.82Å; L107-K118 HydrophobicContact CG-CD 3.88Å; L107-K118 HydrophobicContact CG-CG 4.43Å; L107-I153 HydrophobicContact CD1-CB 4.17Å; L107-I153 HydrophobicContact CD1-CG2 3.71Å; L107-K155 HydrophobicContact CB-CD 4.08Å; L107-K155 HydrophobicContact CD1-CB 4.3Å; L107-K155 HydrophobicContact CD2-CB 3.88Å; L107-K155 HydrophobicContact CD2-CD 4.09Å; L107-K155 HydrophobicContact CG-CB 4.46Å
108	E	97.7	Very high	97.6	Very high	1 Å²	1	17.8 Å²	17.8	1%	0.005	9%	0.091	C	C	.	.	H	α-helix	trans	-71.4	-37	179.3	-67	-72.7	148.1	0	0	111.8	R104 A105 L106 N111 K118 L295 K303 L305	R104-E108 HydrophobicContact CG-CG 4.4Å; R104-E108 IonicContact CZ-OE1 2.65Å; R104-E108 IonicContact NE-OE1 3.56Å; R104-E108 PolarHBondContact NE-OE1 3.34Å; R104-E108 IonicContact NH2-OE1 3.64Å; R104-E108 PolarHBondContact NH2-OE1 2.82Å; R104-E108 VanDerWaalsContact O-CG 3.29Å; R104-E108 WeakPolarHBondContact O-CG 3.37Å; R104-E108 PolarHBondContact O-N 2.82Å; R104-E108 VanDerWaalsContact O-N 3.09Å; A105-E108 PolarHBondContact O-N 3.43Å; L106-E108 PolarHBondContact O-N 3.45Å; E108-N111 PolarHBondContact O-N 2.89Å; E108-K118 WeakPolarHBondContact OE1-CE 3.47Å; E108-K118 IonicContact OE1-NZ 2.63Å; E108-K118 PolarHBondContact OE1-NZ 2.72Å; E108-L295 HydrophobicContact CB-CD1 3.7Å; E108-K303 IonicContact OE1-NZ 3.13Å; E108-K303 IonicContact OE2-NZ 3.79Å; E108-K303 PolarHBondContact OE2-NZ 2.81Å; E108-L305 HydrophobicContact CB-CD2 4.03Å; E108-L305 HydrophobicContact CG-CD2 3.93Å
109	M	98.4	Very high	97.4	Very high	9 Å²	9	17.8 Å²	17.8	4%	0.044	9%	0.092	C	C	.	.	H	α-helix	trans	-66.7	-46.7	175	-73.6	170.3	172.2	0	0	111.8	A105 L106 N111 L112 L258 P262 L266 L284 L295	A105-M109 WeakPolarHBondContact O-CB 3.34Å; A105-M109 WeakPolarHBondContact O-CG 3.41Å; A105-M109 PolarHBondContact O-N 2.96Å; L106-M109 PolarHBondContact O-N 2.73Å; M109-N111 PolarHBondContact O-N 3.3Å; M109-L112 WeakPolarHBondContact O-CB 3.46Å; M109-L112 WeakPolarHBondContact O-CD1 3.34Å; M109-L112 VanDerWaalsContact O-CG 3.29Å; M109-L112 WeakPolarHBondContact O-CG 3.38Å; M109-L112 PolarHBondContact O-N 3.39Å; M109-L258 HydrophobicContact SD-CD1 3.84Å; M109-L258 HydrophobicContact SD-CD2 4.17Å; M109-L258 HydrophobicContact SD-CG 4.01Å; M109-P262 HydrophobicContact CE-CB 3.93Å; M109-P262 HydrophobicContact CE-CG 4.41Å; M109-P262 HydrophobicContact SD-CB 4.12Å; M109-L266 HydrophobicContact CB-CD1 3.79Å; M109-L266 HydrophobicContact CB-CD2 3.63Å; M109-L266 HydrophobicContact CB-CG 4.37Å; M109-L266 HydrophobicContact CG-CD1 4.2Å; M109-L266 HydrophobicContact SD-CD1 4.11Å; M109-L266 HydrophobicContact SD-CD2 4.36Å; M109-L284 HydrophobicContact CG-CD2 4.35Å; M109-L295 HydrophobicContact CE-CD2 4.37Å; M109-L295 HydrophobicContact CG-CD2 3.57Å
110	L	98.1	Very high	96.9	Very high	2 Å²	2	16.7 Å²	16.7	1%	0.01	10%	0.099	C	C	.	.	H	α-helix	trans	-60.4	-31.6	176	-69	175.5	0	0	0	112.4	I95 L106 L112 H113 V116 I153 L179 L266 V269	I95-L110 HydrophobicContact CD1-CD1 4.39Å; L106-L110 HydrophobicContact CD1-CD1 3.9Å; L106-L110 HydrophobicContact CD1-CD2 4.43Å; L106-L110 HydrophobicContact CD1-CG 3.96Å; L106-L110 HydrophobicContact CG-CD1 3.95Å; L106-L110 HydrophobicContact CG-CG 4.39Å; L106-L110 WeakPolarHBondContact O-CB 3.46Å; L106-L110 VanDerWaalsContact O-CG 3.29Å; L106-L110 WeakPolarHBondContact O-CG 3.49Å; L106-L110 PolarHBondContact O-N 3.47Å; L110-L112 PolarHBondContact O-N 2.89Å; L110-L112 VanDerWaalsContact O-N 3.16Å; L110-H113 VanDerWaalsContact O-CB 3.26Å; L110-H113 WeakPolarHBondContact O-CB 3.27Å; L110-H113 PolarHBondContact O-N 3.07Å; L110-V116 HydrophobicContact CB-CG1 4.4Å; L110-V116 WeakPolarHBondContact O-CB 3.44Å; L110-I153 HydrophobicContact CD1-CD1 4.2Å; L110-L179 HydrophobicContact CD1-CD1 3.97Å; L110-L266 HydrophobicContact CD2-CD2 4.09Å; L110-L266 HydrophobicContact CG-CD2 4.46Å; L110-V269 HydrophobicContact CD1-CG1 3.91Å; L110-V269 HydrophobicContact CD2-CB 3.93Å; L110-V269 HydrophobicContact CD2-CG1 3.45Å; L110-V269 VanDerWaalsContact CD2-CG1 3.45Å; L110-V269 HydrophobicContact CG-CG1 4.31Å
111	N	96.4	Very high	96.7	Very high	22 Å²	22	21.9 Å²	21.9	12%	0.118	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-4.2	176.8	-172	75.6	0	0	0	113.8	K64 L107 E108 M109 H113 K118	K64-N111 PolarHBondContact NZ-O 2.96Å; L107-N111 WeakPolarHBondContact O-CB 3.25Å; L107-N111 PolarHBondContact O-N 3.31Å; E108-N111 PolarHBondContact O-N 2.89Å; M109-N111 PolarHBondContact O-N 3.3Å; N111-H113 VanDerWaalsContact C-N 3.27Å; N111-K118 HydrophobicContact CB-CB 4.37Å; N111-K118 HydrophobicContact CB-CD 3.67Å; N111-K118 HydrophobicContact CB-CG 4.09Å; N111-K118 WeakPolarHBondContact OD1-CG 3.29Å; N111-K118 PolarHBondContact OD1-N 2.86Å
112	L	96.2	Very high	96.6	Very high	20 Å²	20	25.4 Å²	25.4	11%	0.105	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-32.2	163.3	-65.7	164.9	0	0	0	111.2	M109 L110 I279 N283 L284 L295 F297	M109-L112 WeakPolarHBondContact O-CB 3.46Å; M109-L112 WeakPolarHBondContact O-CD1 3.34Å; M109-L112 VanDerWaalsContact O-CG 3.29Å; M109-L112 WeakPolarHBondContact O-CG 3.38Å; M109-L112 PolarHBondContact O-N 3.39Å; L110-L112 PolarHBondContact O-N 2.89Å; L110-L112 VanDerWaalsContact O-N 3.16Å; L112-I279 HydrophobicContact CB-CG1 4.14Å; L112-I279 HydrophobicContact CD1-CG2 4.37Å; L112-N283 HydrophobicContact CD1-CB 3.67Å; L112-N283 HydrophobicContact CD2-CB 4.21Å; L112-N283 HydrophobicContact CG-CB 4.42Å; L112-L284 HydrophobicContact CD1-CD2 3.96Å; L112-L295 HydrophobicContact CD1-CD2 4.08Å; L112-L295 HydrophobicContact CD2-CB 4.41Å; L112-F297 HydrophobicContact CD2-CD1 3.77Å; L112-F297 HydrophobicContact CD2-CE1 3.71Å; L112-F297 HydrophobicContact CD2-CG 4.27Å; L112-F297 HydrophobicContact CD2-CZ 4.17Å
113	H	96.9	Very high	96.6	Very high	2 Å²	2	25 Å²	25	1%	0.009	13%	0.131	C	C	.	.	S	Bend	trans	-66.4	129.9	-179.1	-172.7	-80.3	0	0	0	111.5	K64 L110 N111 A115 V116 E270 P276 R278 I279	K64-H113 PolarHBondContact NZ-O 3.44Å; L110-H113 VanDerWaalsContact O-CB 3.26Å; L110-H113 WeakPolarHBondContact O-CB 3.27Å; L110-H113 PolarHBondContact O-N 3.07Å; N111-H113 VanDerWaalsContact C-N 3.27Å; H113-A115 VanDerWaalsContact C-N 3.27Å; H113-A115 WeakPolarHBondContact CE1-CB 3.16Å; H113-A115 WeakPolarHBondContact ND1-CB 3.28Å; H113-A115 PolarHBondContact ND1-N 3.13Å; H113-A115 PolarHBondContact O-N 3.21Å; H113-V116 HydrophobicContact CB-CB 4.19Å; H113-V116 HydrophobicContact CB-CG2 3.78Å; H113-V116 PolarHBondContact O-N 3.02Å; H113-E270 IonicContact CD2-OE1 2.86Å; H113-E270 PolarHBondContact CD2-OE1 2.82Å; H113-E270 VanDerWaalsContact CD2-OE1 3.29Å; H113-P276 PolarHBondContact NE2-O 3.42Å; H113-R278 WeakPolarHBondContact NE2-CG 3.44Å; H113-I279 HydrophobicContact CB-CD1 4.14Å; H113-I279 HydrophobicContact CB-CG1 4.06Å
114	P	95.3	Very high	96.6	Very high	22 Å²	22	27.6 Å²	27.6	14%	0.143	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-29.5	-173.3	22.7	-32.9	0	0	0	114.6	L61 V116 Q150 R278	L61-P114 HydrophobicContact CD2-CB 3.62Å; L61-P114 HydrophobicContact CD2-CG 3.54Å; P114-V116 VanDerWaalsContact C-N 3.35Å; P114-Q150 PolarHBondContact O-NE2 2.99Å; P114-R278 HydrophobicContact CG-CB 4.14Å; P114-R278 HydrophobicContact CG-CG 4.08Å
115	A	97	Very high	96.7	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.008	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-5.5	177.1	0	0	0	0	0	114.1	F56 H113 Q150 I151 L275	F56-A115 HydrophobicContact CE1-CB 3.68Å; F56-A115 HydrophobicContact CZ-CB 3.76Å; H113-A115 VanDerWaalsContact C-N 3.27Å; H113-A115 WeakPolarHBondContact CE1-CB 3.16Å; H113-A115 WeakPolarHBondContact ND1-CB 3.28Å; H113-A115 PolarHBondContact ND1-N 3.13Å; H113-A115 PolarHBondContact O-N 3.21Å; A115-Q150 CarbonylContact O-C 3.6Å; A115-Q150 VanDerWaalsContact O-CA 3.24Å; A115-Q150 WeakPolarHBondContact O-CA 2.99Å; A115-Q150 VanDerWaalsContact O-CB 3.28Å; A115-Q150 WeakPolarHBondContact O-CB 3.36Å; A115-I151 WeakPolarHBondContact O-CG2 3.42Å; A115-I151 PolarHBondContact O-N 3.37Å; A115-L275 HydrophobicContact CB-CD2 3.97Å
116	V	97.5	Very high	96.8	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	130.4	-179.4	175.2	0	0	0	0	110.3	K64 L110 H113 P114 I151 I153 L275	K64-V116 PolarHBondContact NZ-O 2.68Å; L110-V116 HydrophobicContact CB-CG1 4.4Å; L110-V116 WeakPolarHBondContact O-CB 3.44Å; H113-V116 HydrophobicContact CB-CB 4.19Å; H113-V116 HydrophobicContact CB-CG2 3.78Å; H113-V116 PolarHBondContact O-N 3.02Å; P114-V116 VanDerWaalsContact C-N 3.35Å; V116-I151 HydrophobicContact CB-CG2 4.43Å; V116-I151 HydrophobicContact CG2-CG2 3.79Å; V116-I153 HydrophobicContact CG1-CD1 3.76Å; V116-I153 HydrophobicContact CG1-CG1 4.15Å; V116-I153 HydrophobicContact CG2-CD1 4.28Å; V116-L275 HydrophobicContact CG2-CD1 3.57Å
117	V	97.5	Very high	96.7	Very high	21 Å²	21	25.1 Å²	25.1	13%	0.127	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	119.5	169.1	-168.1	0	0	0	0	108.5	P144 Q150 I151 T152 I153	V117-P144 HydrophobicContact CB-CG 4.3Å; V117-P144 HydrophobicContact CG1-CB 3.67Å; V117-P144 HydrophobicContact CG1-CG 3.43Å; V117-P144 VanDerWaalsContact CG1-CG 3.43Å; V117-Q150 HydrophobicContact CG2-CB 4.01Å; V117-Q150 VanDerWaalsContact CG2-CD 3.44Å; V117-Q150 HydrophobicContact CG2-CG 4.28Å; V117-Q150 VanDerWaalsContact CG2-OE1 3.28Å; V117-I151 PolarHBondContact N-O 3Å; V117-T152 CarbonylContact O-C 3.58Å; V117-T152 VanDerWaalsContact O-CA 3.28Å; V117-T152 WeakPolarHBondContact O-CA 3.5Å; V117-I153 PolarHBondContact O-N 3.35Å
118	K	96.4	Very high	96.7	Very high	14 Å²	14	27.7 Å²	27.7	6%	0.061	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	144	-179.2	70.7	-179.9	-175.5	86.6	0	112.7	L107 E108 N111 I153	L107-K118 HydrophobicContact CD1-CB 3.7Å; L107-K118 HydrophobicContact CD2-CB 4.15Å; L107-K118 HydrophobicContact CD2-CD 4.09Å; L107-K118 HydrophobicContact CG-CB 3.82Å; L107-K118 HydrophobicContact CG-CD 3.88Å; L107-K118 HydrophobicContact CG-CG 4.43Å; E108-K118 WeakPolarHBondContact OE1-CE 3.47Å; E108-K118 IonicContact OE1-NZ 2.63Å; E108-K118 PolarHBondContact OE1-NZ 2.72Å; N111-K118 HydrophobicContact CB-CB 4.37Å; N111-K118 HydrophobicContact CB-CD 3.67Å; N111-K118 HydrophobicContact CB-CG 4.09Å; N111-K118 WeakPolarHBondContact OD1-CG 3.29Å; N111-K118 PolarHBondContact OD1-N 2.86Å; K118-I153 WeakPolarHBondContact CA-O 3.35Å
119	A	95.8	Very high	96.8	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.008	17%	0.171	C	C	.	.			trans	-60.9	141	158.3	0	0	0	0	0	110	I153 E154	A119-I153 PolarHBondContact N-O 3.1Å; A119-E154 HydrophobicContact CB-CB 4.34Å; A119-E154 HydrophobicContact CB-CG 4.08Å
120	S	87.6	Confident	96.8	Very high	75 Å²	75	39 Å²	39	52%	0.524	20%	0.202	S	C	.	.	S	Bend	trans	-76.9	-35.7	-173.3	58.4	0	0	0	0	112.7	R104	R104-S120 PolarHBondContact NH1-O 2.98Å
121	Q	92.4	Very high	96.8	Very high	140 Å²	140	40.2 Å²	40.2	65%	0.654	21%	0.208	S	C	*	.	S	Bend	trans	-121	166.4	-174.6	-59.5	-175.1	20.9	0	0	111.3
122	E	97.7	Very high	96.9	Very high	74 Å²	74	42.5 Å²	42.5	35%	0.346	22%	0.216	S	C	.	.			trans	-77.4	117.1	168	-44.3	-167.3	176.5	0	0	106.5	H124 K155 P157	E122-H124 IonicContact OE2-CE1 2.71Å; E122-H124 IonicContact OE2-NE2 2.85Å; E122-K155 VanDerWaalsContact CG-NZ 3.29Å; E122-K155 WeakPolarHBondContact CG-O 3.39Å; E122-K155 IonicContact OE1-NZ 2.86Å; E122-K155 PolarHBondContact OE1-NZ 3.41Å; E122-K155 IonicContact OE2-NZ 3.38Å; E122-P157 WeakPolarHBondContact OE2-CD 3.48Å
123	I	97.8	Very high	97	Very high	21 Å²	21	44.8 Å²	44.8	11%	0.108	24%	0.244	C	C	.	.			trans	-81.8	-25	-168.9	-53	-54.4	0	0	0	111.5	F125 W138 Y139 K142 M143 E154	I123-F125 VanDerWaalsContact C-N 3.28Å; I123-F125 HydrophobicContact CG2-CB 4.27Å; I123-F125 PolarHBondContact O-N 2.92Å; I123-W138 HydrophobicContact CG2-CH2 4.14Å; I123-W138 HydrophobicContact CG2-CZ3 3.97Å; I123-Y139 HydrophobicContact CB-CD2 4.48Å; I123-Y139 HydrophobicContact CB-CE2 4.07Å; I123-Y139 HydrophobicContact CG1-CE2 4.44Å; I123-Y139 HydrophobicContact CG2-CD2 3.79Å; I123-Y139 HydrophobicContact CG2-CE2 3.9Å; I123-K142 HydrophobicContact CD1-CB 4.16Å; I123-K142 HydrophobicContact CG2-CB 3.99Å; I123-K142 HydrophobicContact CG2-CG 4.07Å; I123-M143 HydrophobicContact CG1-CE 3.95Å; I123-E154 HydrophobicContact CB-CG 4.47Å; I123-E154 HydrophobicContact CG1-CG 3.82Å
124	H	98.4	Very high	97.1	Very high	64 Å²	64	49.6 Å²	49.6	30%	0.296	27%	0.265	S	S	.	.			trans	49.1	50.7	-178	-67.4	-72.9	0	0	0	111.8	E122 D127 N128 N131 S156	E122-H124 IonicContact OE2-CE1 2.71Å; E122-H124 IonicContact OE2-NE2 2.85Å; H124-D127 WeakPolarHBondContact CA-OD1 3.2Å; H124-D127 WeakPolarHBondContact CB-OD1 3.43Å; H124-D127 IonicContact CE1-OD2 2.69Å; H124-D127 IonicContact CG-OD1 2.67Å; H124-D127 IonicContact CG-OD2 3.92Å; H124-D127 IonicContact ND1-OD1 3.03Å; H124-D127 PolarHBondContact ND1-OD1 2.97Å; H124-D127 IonicContact ND1-OD2 3.43Å; H124-D127 PolarHBondContact ND1-OD2 3.16Å; H124-N128 WeakPolarHBondContact O-CB 3.29Å; H124-N131 WeakPolarHBondContact O-CB 3.15Å; H124-N131 PolarHBondContact O-ND2 2.83Å; H124-S156 PolarHBondContact N-OG 3.04Å
125	F	98.8	Very high	97.2	Very high	4 Å²	4	50 Å²	50	2%	0.018	27%	0.273	C	S	.	.			trans	-83.7	-48.2	-178.4	176.8	-117.4	0	0	0	111.1	I123 N131 Y132 G135 I136 W138 Y139 Y159	I123-F125 VanDerWaalsContact C-N 3.28Å; I123-F125 HydrophobicContact CG2-CB 4.27Å; I123-F125 PolarHBondContact O-N 2.92Å; F125-N131 HydrophobicContact CD2-CB 4.48Å; F125-N131 WeakPolarHBondContact CD2-O 3.39Å; F125-N131 VanDerWaalsContact CE2-O 3.26Å; F125-N131 WeakPolarHBondContact CE2-O 3.28Å; F125-Y132 HydrophobicContact CD1-CD2 4.33Å; F125-Y132 AromaticContact CE1-CD2 3.85Å; F125-Y132 HydrophobicContact CE1-CD2 3.85Å; F125-Y132 HydrophobicContact CE1-CE2 4.08Å; F125-Y132 HydrophobicContact CE2-CD2 4.24Å; F125-Y132 AromaticContact CZ-CD2 3.8Å; F125-Y132 HydrophobicContact CZ-CD2 3.8Å; F125-Y132 HydrophobicContact CZ-CE2 4.21Å; F125-Y132 WeakPolarHBondContact O-CA 3.29Å; F125-Y132 WeakPolarHBondContact O-CB 3.26Å; F125-Y132 PolarHBondContact O-N 3.16Å; F125-G135 WeakPolarHBondContact CE2-O 3.4Å; F125-I136 HydrophobicContact CE1-CD1 4.09Å; F125-I136 HydrophobicContact CZ-CD1 4.48Å; F125-W138 HydrophobicContact CB-CZ3 4.28Å; F125-W138 AromaticContact CD2-CE3 3.63Å; F125-W138 HydrophobicContact CD2-CE3 3.63Å; F125-W138 AromaticContact CD2-CZ3 3.6Å; F125-W138 HydrophobicContact CD2-CZ3 3.6Å; F125-W138 HydrophobicContact CE2-CE3 4.02Å; F125-W138 HydrophobicContact CE2-CZ3 4.43Å; F125-W138 HydrophobicContact CG-CZ3 4.34Å; F125-Y139 HydrophobicContact CB-CD2 3.35Å; F125-Y139 HydrophobicContact CB-CE2 3.59Å; F125-Y139 HydrophobicContact CB-CG 4.08Å; F125-Y139 AromaticContact CD1-CD1 3.82Å; F125-Y139 HydrophobicContact CD1-CD1 3.82Å; F125-Y139 AromaticContact CD1-CD2 3.68Å; F125-Y139 HydrophobicContact CD1-CD2 3.68Å; F125-Y139 HydrophobicContact CD1-CE1 4.29Å; F125-Y139 HydrophobicContact CD1-CE2 4.15Å; F125-Y139 AromaticContact CD1-CG 3.49Å; F125-Y139 HydrophobicContact CD1-CG 3.49Å; F125-Y139 VanDerWaalsContact CD1-CG 3.49Å; F125-Y139 HydrophobicContact CD2-CD2 4.18Å; F125-Y139 HydrophobicContact CD2-CG 4.22Å; F125-Y139 HydrophobicContact CE1-CD1 4.1Å; F125-Y139 AromaticContact CE1-CG 3.92Å; F125-Y139 HydrophobicContact CE1-CG 3.92Å; F125-Y139 HydrophobicContact CG-CD1 4.43Å; F125-Y139 AromaticContact CG-CD2 3.47Å; F125-Y139 HydrophobicContact CG-CD2 3.47Å; F125-Y139 VanDerWaalsContact CG-CD2 3.47Å; F125-Y139 HydrophobicContact CG-CE2 4.09Å; F125-Y139 AromaticContact CG-CG 3.66Å; F125-Y139 HydrophobicContact CG-CG 3.66Å; F125-Y139 HydrophobicContact CZ-CG 4.43Å; F125-Y159 PolarHBondContact N-OH 2.6Å
126	F	98.8	Very high	97.3	Very high	1 Å²	1	53.1 Å²	53.1	0%	0.004	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83	-22.1	-173.6	-60.3	-70.4	0	0	0	113.8	I94 Y132 Y139 Y159 V165 R168 I169 M172	I94-F126 HydrophobicContact CD1-CE2 4.11Å; F126-Y132 HydrophobicContact CD1-CD2 4.12Å; F126-Y132 AromaticContact CD1-CE2 3.94Å; F126-Y132 HydrophobicContact CD1-CE2 3.94Å; F126-Y132 HydrophobicContact CE1-CE2 4.27Å; F126-Y139 AromaticContact CE2-CE1 3.94Å; F126-Y139 HydrophobicContact CE2-CE1 3.94Å; F126-Y139 AromaticContact CE2-CZ 3.87Å; F126-Y139 HydrophobicContact CZ-CD1 4.46Å; F126-Y139 HydrophobicContact CZ-CE1 4.02Å; F126-Y159 HydrophobicContact CB-CD1 4.37Å; F126-Y159 HydrophobicContact CB-CE1 3.96Å; F126-Y159 HydrophobicContact CD2-CD2 4.37Å; F126-Y159 HydrophobicContact CD2-CE1 4.33Å; F126-Y159 AromaticContact CD2-CE2 3.63Å; F126-Y159 HydrophobicContact CD2-CE2 3.63Å; F126-Y159 AromaticContact CD2-CZ 3.62Å; F126-Y159 HydrophobicContact CE2-CE2 4.39Å; F126-V165 HydrophobicContact CB-CB 4.3Å; F126-V165 HydrophobicContact CB-CG1 3.78Å; F126-V165 HydrophobicContact CB-CG2 3.93Å; F126-V165 WeakPolarHBondContact O-CG2 3.36Å; F126-R168 HydrophobicContact CB-CB 4.45Å; F126-R168 HydrophobicContact CD1-CB 3.64Å; F126-R168 HydrophobicContact CE1-CB 4.37Å; F126-R168 HydrophobicContact CG-CB 4.47Å; F126-R168 VanDerWaalsContact O-CD 3.27Å; F126-R168 WeakPolarHBondContact O-CD 3.37Å; F126-R168 PolarHBondContact O-NH1 2.93Å; F126-I169 HydrophobicContact CB-CG1 4.32Å; F126-I169 HydrophobicContact CD1-CG1 3.89Å; F126-I169 HydrophobicContact CD2-CD1 3.86Å; F126-I169 HydrophobicContact CD2-CG1 3.47Å; F126-I169 VanDerWaalsContact CD2-CG1 3.47Å; F126-I169 HydrophobicContact CE1-CG1 3.97Å; F126-I169 HydrophobicContact CE2-CD1 4.18Å; F126-I169 HydrophobicContact CE2-CG1 3.6Å; F126-I169 HydrophobicContact CG-CD1 4.31Å; F126-I169 HydrophobicContact CG-CG1 3.62Å; F126-I169 HydrophobicContact CZ-CG1 3.84Å; F126-M172 HydrophobicContact CE1-CB 4.4Å; F126-M172 HydrophobicContact CE2-CE 4.41Å; F126-M172 HydrophobicContact CZ-CB 4.38Å; F126-M172 HydrophobicContact CZ-CE 3.83Å; F126-M172 HydrophobicContact CZ-SD 3.67Å
127	D	98.4	Very high	97.3	Very high	30 Å²	30	57.1 Å²	57.1	16%	0.16	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.5	6.8	-175.6	64.9	-19.1	0	0	0	114.2	H124 A158 Y159 T162 V165	H124-D127 WeakPolarHBondContact CA-OD1 3.2Å; H124-D127 WeakPolarHBondContact CB-OD1 3.43Å; H124-D127 IonicContact CE1-OD2 2.69Å; H124-D127 IonicContact CG-OD1 2.67Å; H124-D127 IonicContact CG-OD2 3.92Å; H124-D127 IonicContact ND1-OD1 3.03Å; H124-D127 PolarHBondContact ND1-OD1 2.97Å; H124-D127 IonicContact ND1-OD2 3.43Å; H124-D127 PolarHBondContact ND1-OD2 3.16Å; D127-A158 WeakPolarHBondContact OD2-CB 3.32Å; D127-Y159 HydrophobicContact CB-CD1 3.88Å; D127-Y159 HydrophobicContact CB-CE1 4.08Å; D127-Y159 WeakPolarHBondContact OD1-CE1 3.46Å; D127-T162 HydrophobicContact CB-CG2 4.07Å; D127-V165 HydrophobicContact CB-CG2 3.89Å
128	N	98.4	Very high	97.3	Very high	58 Å²	58	59 Å²	59	31%	0.31	31%	0.312	S	S	.	.			trans	-134.8	117.4	176.8	177.1	-70.4	0	0	0	109.1	H124 E130 N131 Y132	H124-N128 WeakPolarHBondContact O-CB 3.29Å; N128-E130 VanDerWaalsContact C-N 3.33Å; N128-E130 PolarHBondContact O-N 3.01Å; N128-E130 WeakPolarHBondContact OD1-CB 3.44Å; N128-E130 PolarHBondContact OD1-N 3.07Å; N128-E130 VanDerWaalsContact OD1-N 3.11Å; N128-N131 HydrophobicContact CB-CB 4.26Å; N128-N131 PolarHBondContact O-N 3.11Å; N128-N131 VanDerWaalsContact O-N 3.15Å; N128-N131 PolarHBondContact OD1-N 3.29Å; N128-Y132 PolarHBondContact O-N 3.42Å
129	D	98.4	Very high	97.4	Very high	100 Å²	100	58.3 Å²	58.3	54%	0.535	31%	0.309	S	S	.	.	H	α-helix	trans	-65.4	-33.6	-173	-63.3	-28	0	0	0	113.4	N131 Y132 G133 R168	D129-N131 VanDerWaalsContact C-N 3.32Å; D129-N131 PolarHBondContact O-N 3.06Å; D129-Y132 PolarHBondContact O-N 2.93Å; D129-G133 PolarHBondContact O-N 3.01Å; D129-R168 IonicContact OD1-CZ 3.25Å; D129-R168 VanDerWaalsContact OD1-CZ 3.24Å; D129-R168 IonicContact OD1-NH1 2.71Å; D129-R168 PolarHBondContact OD1-NH1 3.11Å; D129-R168 IonicContact OD1-NH2 2.76Å; D129-R168 PolarHBondContact OD1-NH2 3.44Å
130	E	98.3	Very high	97.5	Very high	147 Å²	147	62.6 Å²	62.6	69%	0.687	33%	0.325	S	S	*	.	H	α-helix	trans	-64.1	-39.5	175.3	-58.1	178	-177.9	0	0	111.3	N128 K134	N128-E130 VanDerWaalsContact C-N 3.33Å; N128-E130 PolarHBondContact O-N 3.01Å; N128-E130 WeakPolarHBondContact OD1-CB 3.44Å; N128-E130 PolarHBondContact OD1-N 3.07Å; N128-E130 VanDerWaalsContact OD1-N 3.11Å; E130-K134 WeakPolarHBondContact O-CE 3.41Å; E130-K134 WeakPolarHBondContact O-CG 3.3Å
131	N	98.3	Very high	98	Very high	27 Å²	27	65.4 Å²	65.4	14%	0.144	33%	0.328	C	S	.	.	H	α-helix	trans	-74.1	-42.9	176.5	-71	-25.8	0	0	0	111.6	H124 F125 N128 D129 G133 K134 W138	H124-N131 WeakPolarHBondContact O-CB 3.15Å; H124-N131 PolarHBondContact O-ND2 2.83Å; F125-N131 HydrophobicContact CD2-CB 4.48Å; F125-N131 WeakPolarHBondContact CD2-O 3.39Å; F125-N131 VanDerWaalsContact CE2-O 3.26Å; F125-N131 WeakPolarHBondContact CE2-O 3.28Å; N128-N131 HydrophobicContact CB-CB 4.26Å; N128-N131 PolarHBondContact O-N 3.11Å; N128-N131 VanDerWaalsContact O-N 3.15Å; N128-N131 PolarHBondContact OD1-N 3.29Å; D129-N131 VanDerWaalsContact C-N 3.32Å; D129-N131 PolarHBondContact O-N 3.06Å; N131-G133 VanDerWaalsContact C-N 3.32Å; N131-G133 PolarHBondContact O-N 3.22Å; N131-K134 WeakPolarHBondContact O-CB 3.43Å; N131-K134 PolarHBondContact O-N 3.31Å; N131-K134 VanDerWaalsContact O-N 3.17Å; N131-K134 PolarHBondContact OD1-NZ 2.75Å; N131-W138 HydrophobicContact CB-CH2 3.76Å; N131-W138 HydrophobicContact CB-CZ3 3.85Å
132	Y	98.7	Very high	98.2	Very high	71 Å²	71	63.8 Å²	63.8	28%	0.278	32%	0.319	S	S	.	.	H	α-helix	trans	-61.2	-41.3	178.4	-168.2	-115.5	0	0	0	111.8	F125 F126 N128 D129 K134 G135 R168	F125-Y132 HydrophobicContact CD1-CD2 4.33Å; F125-Y132 AromaticContact CE1-CD2 3.85Å; F125-Y132 HydrophobicContact CE1-CD2 3.85Å; F125-Y132 HydrophobicContact CE1-CE2 4.08Å; F125-Y132 HydrophobicContact CE2-CD2 4.24Å; F125-Y132 AromaticContact CZ-CD2 3.8Å; F125-Y132 HydrophobicContact CZ-CD2 3.8Å; F125-Y132 HydrophobicContact CZ-CE2 4.21Å; F125-Y132 WeakPolarHBondContact O-CA 3.29Å; F125-Y132 WeakPolarHBondContact O-CB 3.26Å; F125-Y132 PolarHBondContact O-N 3.16Å; F126-Y132 HydrophobicContact CD1-CD2 4.12Å; F126-Y132 AromaticContact CD1-CE2 3.94Å; F126-Y132 HydrophobicContact CD1-CE2 3.94Å; F126-Y132 HydrophobicContact CE1-CE2 4.27Å; N128-Y132 PolarHBondContact O-N 3.42Å; D129-Y132 PolarHBondContact O-N 2.93Å; Y132-K134 PolarHBondContact O-N 3.2Å; Y132-K134 VanDerWaalsContact O-N 3.16Å; Y132-G135 PolarHBondContact O-N 3.18Å; Y132-R168 HydrophobicContact CD1-CG 4.5Å; Y132-R168 HydrophobicContact CD2-CB 4.48Å; Y132-R168 HydrophobicContact CD2-CG 4.47Å; Y132-R168 HydrophobicContact CE1-CG 3.9Å; Y132-R168 HydrophobicContact CE2-CB 3.72Å; Y132-R168 HydrophobicContact CE2-CG 3.87Å
133	G	98.4	Very high	98.2	Very high	68 Å²	68	60.5 Å²	60.5	70%	0.701	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-18.6	177.1	0	0	0	0	0	114.6	D129 N131 G135	D129-G133 PolarHBondContact O-N 3.01Å; N131-G133 VanDerWaalsContact C-N 3.32Å; N131-G133 PolarHBondContact O-N 3.22Å; G133-G135 PolarHBondContact O-N 2.97Å
134	K	98.6	Very high	98.1	Very high	103 Å²	103	61 Å²	61	45%	0.448	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-7.5	173.7	-63.2	164.2	-166.2	158.5	0	113	E130 N131 Y132 W138	E130-K134 WeakPolarHBondContact O-CE 3.41Å; E130-K134 WeakPolarHBondContact O-CG 3.3Å; N131-K134 WeakPolarHBondContact O-CB 3.43Å; N131-K134 PolarHBondContact O-N 3.31Å; N131-K134 VanDerWaalsContact O-N 3.17Å; N131-K134 PolarHBondContact OD1-NZ 2.75Å; Y132-K134 PolarHBondContact O-N 3.2Å; Y132-K134 VanDerWaalsContact O-N 3.16Å; K134-W138 HydrophobicContact CB-CB 3.6Å; K134-W138 HydrophobicContact CB-CD2 3.94Å; K134-W138 HydrophobicContact CB-CG 3.51Å; K134-W138 HydrophobicContact CD-CD2 3.92Å; K134-W138 HydrophobicContact CD-CG 4Å; K134-W138 HydrophobicContact CD-CZ2 4.1Å; K134-W138 HydrophobicContact CG-CG 4.33Å; K134-W138 WeakPolarHBondContact O-CB 3.35Å
135	G	98.4	Very high	97.8	Very high	30 Å²	30	62.1 Å²	62.1	31%	0.309	31%	0.312	S	S	.	.	H	α-helix	trans	79.7	170.5	173.2	0	0	0	0	0	114.8	F125 Y132 G133 E137 W138 Y139	F125-G135 WeakPolarHBondContact CE2-O 3.4Å; Y132-G135 PolarHBondContact O-N 3.18Å; G133-G135 PolarHBondContact O-N 2.97Å; G135-E137 VanDerWaalsContact C-N 3.26Å; G135-E137 PolarHBondContact O-N 3.06Å; G135-W138 WeakPolarHBondContact O-CB 3.43Å; G135-W138 PolarHBondContact O-N 2.67Å; G135-W138 VanDerWaalsContact O-N 3.15Å; G135-Y139 PolarHBondContact O-N 2.95Å
136	I	98.4	Very high	97.6	Very high	66 Å²	66	62 Å²	62	34%	0.338	31%	0.312	S	S	.	.	H	α-helix	trans	-65.1	-29.8	-171.5	-165	61.9	0	0	0	113.5	L90 F125 W138 Y139 R140 M172	L90-I136 HydrophobicContact CD1-CD1 4.06Å; L90-I136 HydrophobicContact CD1-CG1 3.8Å; L90-I136 HydrophobicContact CD2-CD1 3.82Å; L90-I136 HydrophobicContact CD2-CG1 4.01Å; F125-I136 HydrophobicContact CE1-CD1 4.09Å; F125-I136 HydrophobicContact CZ-CD1 4.48Å; I136-W138 VanDerWaalsContact C-N 3.34Å; I136-W138 PolarHBondContact O-N 3.16Å; I136-Y139 HydrophobicContact CD1-CD1 3.89Å; I136-Y139 WeakPolarHBondContact O-CB 3.42Å; I136-Y139 PolarHBondContact O-N 2.76Å; I136-R140 PolarHBondContact O-N 3Å; I136-M172 HydrophobicContact CD1-CB 4.31Å; I136-M172 HydrophobicContact CD1-CG 3.56Å; I136-M172 HydrophobicContact CD1-SD 3.55Å; I136-M172 VanDerWaalsContact CD1-SD 3.55Å; I136-M172 HydrophobicContact CG1-CG 4.4Å
137	E	98.2	Very high	97.3	Very high	84 Å²	84	63.8 Å²	63.8	39%	0.393	32%	0.319	S	S	.	.	H	α-helix	trans	-65.8	-37.5	176.9	-76.4	-60.8	134.9	0	0	112.2	G135 Y139 R140 K141	G135-E137 VanDerWaalsContact C-N 3.26Å; G135-E137 PolarHBondContact O-N 3.06Å; E137-Y139 VanDerWaalsContact C-N 3.33Å; E137-R140 VanDerWaalsContact CD-CZ 3.48Å; E137-R140 PolarHBondContact O-N 3.47Å; E137-R140 IonicContact OE1-CZ 2.8Å; E137-R140 VanDerWaalsContact OE1-CZ 3.25Å; E137-R140 IonicContact OE1-NE 2.82Å; E137-R140 IonicContact OE1-NH1 3.67Å; E137-R140 PolarHBondContact OE1-NH1 3.47Å; E137-R140 IonicContact OE1-NH2 3.51Å; E137-R140 IonicContact OE2-CZ 3.81Å; E137-R140 IonicContact OE2-NE 2.92Å; E137-R140 IonicContact OE2-NH1 2.6Å; E137-R140 PolarHBondContact OE2-NH1 3.12Å; E137-R140 IonicContact OE2-NH2 3.26Å; E137-R140 PolarHBondContact OE2-NH2 3.36Å; E137-K141 WeakPolarHBondContact O-CG 3.48Å; E137-K141 PolarHBondContact O-N 3.16Å
138	W	98.2	Very high	96.9	Very high	60 Å²	60	65.2 Å²	65.2	23%	0.227	33%	0.33	C	S	.	.	H	α-helix	trans	-62.4	-44.3	171.7	177.4	93.2	0	0	0	110.7	I123 F125 N131 K134 G135 I136 K141 K142	I123-W138 HydrophobicContact CG2-CH2 4.14Å; I123-W138 HydrophobicContact CG2-CZ3 3.97Å; F125-W138 HydrophobicContact CB-CZ3 4.28Å; F125-W138 AromaticContact CD2-CE3 3.63Å; F125-W138 HydrophobicContact CD2-CE3 3.63Å; F125-W138 AromaticContact CD2-CZ3 3.6Å; F125-W138 HydrophobicContact CD2-CZ3 3.6Å; F125-W138 HydrophobicContact CE2-CE3 4.02Å; F125-W138 HydrophobicContact CE2-CZ3 4.43Å; F125-W138 HydrophobicContact CG-CZ3 4.34Å; N131-W138 HydrophobicContact CB-CH2 3.76Å; N131-W138 HydrophobicContact CB-CZ3 3.85Å; K134-W138 HydrophobicContact CB-CB 3.6Å; K134-W138 HydrophobicContact CB-CD2 3.94Å; K134-W138 HydrophobicContact CB-CG 3.51Å; K134-W138 HydrophobicContact CD-CD2 3.92Å; K134-W138 HydrophobicContact CD-CG 4Å; K134-W138 HydrophobicContact CD-CZ2 4.1Å; K134-W138 HydrophobicContact CG-CG 4.33Å; K134-W138 WeakPolarHBondContact O-CB 3.35Å; G135-W138 WeakPolarHBondContact O-CB 3.43Å; G135-W138 PolarHBondContact O-N 2.67Å; G135-W138 VanDerWaalsContact O-N 3.15Å; I136-W138 VanDerWaalsContact C-N 3.34Å; I136-W138 PolarHBondContact O-N 3.16Å; W138-K141 PolarHBondContact O-N 2.8Å; W138-K142 HydrophobicContact CD2-CG 4.4Å; W138-K142 VanDerWaalsContact CE2-CE 3.45Å; W138-K142 HydrophobicContact CE3-CG 4.38Å; W138-K142 HydrophobicContact CH2-CG 4.21Å; W138-K142 HydrophobicContact CZ2-CD 4.39Å; W138-K142 HydrophobicContact CZ2-CG 4.25Å; W138-K142 HydrophobicContact CZ3-CG 4.26Å; W138-K142 WeakPolarHBondContact O-CG 3.23Å; W138-K142 PolarHBondContact O-N 3.27Å
139	Y	98.5	Very high	96.5	Very high	0 Å²	0	68.5 Å²	68.5	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-62.3	-45.1	177.4	-176.3	-126.4	0	0	0	112	L90 P91 I123 F125 F126 G135 I136 E137 K141 K142 M143 E154 M172	L90-Y139 HydrophobicContact CD2-CD1 3.65Å; L90-Y139 HydrophobicContact CD2-CE1 4.24Å; P91-Y139 HydrophobicContact CG-CE1 3.8Å; P91-Y139 WeakPolarHBondContact CG-OH 3.49Å; I123-Y139 HydrophobicContact CB-CD2 4.48Å; I123-Y139 HydrophobicContact CB-CE2 4.07Å; I123-Y139 HydrophobicContact CG1-CE2 4.44Å; I123-Y139 HydrophobicContact CG2-CD2 3.79Å; I123-Y139 HydrophobicContact CG2-CE2 3.9Å; F125-Y139 HydrophobicContact CB-CD2 3.35Å; F125-Y139 HydrophobicContact CB-CE2 3.59Å; F125-Y139 HydrophobicContact CB-CG 4.08Å; F125-Y139 AromaticContact CD1-CD1 3.82Å; F125-Y139 HydrophobicContact CD1-CD1 3.82Å; F125-Y139 AromaticContact CD1-CD2 3.68Å; F125-Y139 HydrophobicContact CD1-CD2 3.68Å; F125-Y139 HydrophobicContact CD1-CE1 4.29Å; F125-Y139 HydrophobicContact CD1-CE2 4.15Å; F125-Y139 AromaticContact CD1-CG 3.49Å; F125-Y139 HydrophobicContact CD1-CG 3.49Å; F125-Y139 VanDerWaalsContact CD1-CG 3.49Å; F125-Y139 HydrophobicContact CD2-CD2 4.18Å; F125-Y139 HydrophobicContact CD2-CG 4.22Å; F125-Y139 HydrophobicContact CE1-CD1 4.1Å; F125-Y139 AromaticContact CE1-CG 3.92Å; F125-Y139 HydrophobicContact CE1-CG 3.92Å; F125-Y139 HydrophobicContact CG-CD1 4.43Å; F125-Y139 AromaticContact CG-CD2 3.47Å; F125-Y139 HydrophobicContact CG-CD2 3.47Å; F125-Y139 VanDerWaalsContact CG-CD2 3.47Å; F125-Y139 HydrophobicContact CG-CE2 4.09Å; F125-Y139 AromaticContact CG-CG 3.66Å; F125-Y139 HydrophobicContact CG-CG 3.66Å; F125-Y139 HydrophobicContact CZ-CG 4.43Å; F126-Y139 AromaticContact CE2-CE1 3.94Å; F126-Y139 HydrophobicContact CE2-CE1 3.94Å; F126-Y139 AromaticContact CE2-CZ 3.87Å; F126-Y139 HydrophobicContact CZ-CD1 4.46Å; F126-Y139 HydrophobicContact CZ-CE1 4.02Å; G135-Y139 PolarHBondContact O-N 2.95Å; I136-Y139 HydrophobicContact CD1-CD1 3.89Å; I136-Y139 WeakPolarHBondContact O-CB 3.42Å; I136-Y139 PolarHBondContact O-N 2.76Å; E137-Y139 VanDerWaalsContact C-N 3.33Å; Y139-K141 VanDerWaalsContact C-N 3.33Å; Y139-K141 PolarHBondContact O-N 3.46Å; Y139-K142 WeakPolarHBondContact O-CB 3.37Å; Y139-K142 PolarHBondContact O-N 2.86Å; Y139-M143 HydrophobicContact CD2-CE 3.76Å; Y139-M143 HydrophobicContact CE1-CE 4.31Å; Y139-M143 HydrophobicContact CE2-CE 3.42Å; Y139-M143 VanDerWaalsContact CE2-CE 3.42Å; Y139-M143 HydrophobicContact CG-CE 4.36Å; Y139-M143 WeakPolarHBondContact O-CE 3.34Å; Y139-E154 PolarHBondContact OH-OE2 2.9Å; Y139-M172 HydrophobicContact CD1-SD 4.1Å; Y139-M172 HydrophobicContact CE1-SD 3.87Å
140	R	97.9	Very high	96.4	Very high	92 Å²	92	64.6 Å²	64.6	35%	0.347	32%	0.322	S	S	.	.	H	α-helix	trans	-56.9	-45.1	175.1	-169.3	-178	77.2	-156.5	-0.7	111.6	Q88 L90 I136 E137 K142 M143	Q88-R140 HydrophobicContact CB-CG 4.37Å; Q88-R140 WeakPolarHBondContact O-CD 3.44Å; Q88-R140 VanDerWaalsContact O-CG 3.24Å; Q88-R140 WeakPolarHBondContact O-CG 3.49Å; L90-R140 HydrophobicContact CD2-CB 3.82Å; L90-R140 HydrophobicContact CD2-CG 4.31Å; L90-R140 HydrophobicContact CG-CB 4.38Å; L90-R140 HydrophobicContact CG-CG 4.4Å; I136-R140 PolarHBondContact O-N 3Å; E137-R140 VanDerWaalsContact CD-CZ 3.48Å; E137-R140 PolarHBondContact O-N 3.47Å; E137-R140 IonicContact OE1-CZ 2.8Å; E137-R140 VanDerWaalsContact OE1-CZ 3.25Å; E137-R140 IonicContact OE1-NE 2.82Å; E137-R140 IonicContact OE1-NH1 3.67Å; E137-R140 PolarHBondContact OE1-NH1 3.47Å; E137-R140 IonicContact OE1-NH2 3.51Å; E137-R140 IonicContact OE2-CZ 3.81Å; E137-R140 IonicContact OE2-NE 2.92Å; E137-R140 IonicContact OE2-NH1 2.6Å; E137-R140 PolarHBondContact OE2-NH1 3.12Å; E137-R140 IonicContact OE2-NH2 3.26Å; E137-R140 PolarHBondContact OE2-NH2 3.36Å; R140-K142 PolarHBondContact O-N 3.22Å; R140-K142 VanDerWaalsContact O-N 3.17Å; R140-M143 VanDerWaalsContact O-CB 3.27Å; R140-M143 WeakPolarHBondContact O-CB 3.4Å; R140-M143 PolarHBondContact O-N 3.42Å
141	K	96.6	Very high	96.4	Very high	134 Å²	134	58.2 Å²	58.2	58%	0.583	29%	0.292	S	S	*	.	H	α-helix	trans	-65.7	-14.2	178	-72.4	174.5	-176.4	177	0	114	Q88 E137 W138 Y139	Q88-K141 VanDerWaalsContact NE2-C 3.29Å; Q88-K141 PolarHBondContact NE2-O 3.04Å; E137-K141 WeakPolarHBondContact O-CG 3.48Å; E137-K141 PolarHBondContact O-N 3.16Å; W138-K141 PolarHBondContact O-N 2.8Å; Y139-K141 VanDerWaalsContact C-N 3.33Å; Y139-K141 PolarHBondContact O-N 3.46Å
142	K	97.1	Very high	96.4	Very high	106 Å²	106	57 Å²	57	46%	0.461	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-13	170.9	-63.2	-61.6	-175	179.8	0	113.3	I123 W138 Y139 R140	I123-K142 HydrophobicContact CD1-CB 4.16Å; I123-K142 HydrophobicContact CG2-CB 3.99Å; I123-K142 HydrophobicContact CG2-CG 4.07Å; W138-K142 HydrophobicContact CD2-CG 4.4Å; W138-K142 VanDerWaalsContact CE2-CE 3.45Å; W138-K142 HydrophobicContact CE3-CG 4.38Å; W138-K142 HydrophobicContact CH2-CG 4.21Å; W138-K142 HydrophobicContact CZ2-CD 4.39Å; W138-K142 HydrophobicContact CZ2-CG 4.25Å; W138-K142 HydrophobicContact CZ3-CG 4.26Å; W138-K142 WeakPolarHBondContact O-CG 3.23Å; W138-K142 PolarHBondContact O-N 3.27Å; Y139-K142 WeakPolarHBondContact O-CB 3.37Å; Y139-K142 PolarHBondContact O-N 2.86Å; R140-K142 PolarHBondContact O-N 3.22Å; R140-K142 VanDerWaalsContact O-N 3.17Å
143	M	97.4	Very high	96.4	Very high	4 Å²	4	53.6 Å²	53.6	2%	0.02	27%	0.273	C	S	.	.	S	Bend	trans	-75.2	149.7	179	-62.5	-58	118.6	0	0	111.3	Q88 Q89 P91 I123 Y139 R140 T152 E154	Q88-M143 PolarHBondContact NE2-O 3.2Å; Q89-M143 VanDerWaalsContact O-CB 3.27Å; Q89-M143 WeakPolarHBondContact O-CB 3.36Å; Q89-M143 VanDerWaalsContact O-CG 3.25Å; Q89-M143 WeakPolarHBondContact O-CG 3.49Å; P91-M143 HydrophobicContact CG-SD 4.44Å; I123-M143 HydrophobicContact CG1-CE 3.95Å; Y139-M143 HydrophobicContact CD2-CE 3.76Å; Y139-M143 HydrophobicContact CE1-CE 4.31Å; Y139-M143 HydrophobicContact CE2-CE 3.42Å; Y139-M143 VanDerWaalsContact CE2-CE 3.42Å; Y139-M143 HydrophobicContact CG-CE 4.36Å; Y139-M143 WeakPolarHBondContact O-CE 3.34Å; R140-M143 VanDerWaalsContact O-CB 3.27Å; R140-M143 WeakPolarHBondContact O-CB 3.4Å; R140-M143 PolarHBondContact O-N 3.42Å; M143-T152 HydrophobicContact CB-CG2 4.18Å; M143-T152 HydrophobicContact CG-CG2 4.19Å; M143-T152 HydrophobicContact SD-CG2 3.7Å; M143-E154 HydrophobicContact CE-CG 4.24Å
144	P	95.4	Very high	96.4	Very high	32 Å²	32	50.4 Å²	50.4	21%	0.208	24%	0.239	C	C	.	.	P	Polyproline II helix	trans	-65.5	154.5	173.9	30.7	-36.8	0	0	0	111	V117 T152	V117-P144 HydrophobicContact CB-CG 4.3Å; V117-P144 HydrophobicContact CG1-CB 3.67Å; V117-P144 HydrophobicContact CG1-CG 3.43Å; V117-P144 VanDerWaalsContact CG1-CG 3.43Å; P144-T152 HydrophobicContact CG-CG2 4.29Å
145	F	93.8	Very high	96.4	Very high	87 Å²	87	45.6 Å²	45.6	38%	0.382	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	138.1	164.1	-77	-78.7	0	0	0	110.1	V81 L86 Q88	V81-F145 HydrophobicContact CG1-CD1 4.04Å; V81-F145 HydrophobicContact CG1-CE1 3.65Å; V81-F145 HydrophobicContact CG1-CZ 4.32Å; V81-F145 HydrophobicContact CG2-CE1 4.31Å; V81-F145 HydrophobicContact CG2-CZ 4.34Å; L86-F145 HydrophobicContact CB-CB 4.17Å; L86-F145 HydrophobicContact CB-CD1 4.06Å; L86-F145 HydrophobicContact CB-CG 4.48Å; L86-F145 HydrophobicContact CD1-CB 4.5Å; Q88-F145 HydrophobicContact CG-CD1 3.88Å; Q88-F145 HydrophobicContact CG-CD2 4.31Å; Q88-F145 HydrophobicContact CG-CE1 3.77Å; Q88-F145 HydrophobicContact CG-CE2 4.2Å; Q88-F145 HydrophobicContact CG-CG 4.16Å; Q88-F145 HydrophobicContact CG-CZ 3.93Å
146	S	92.6	Very high	96.4	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.007	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	155.6	-174.9	56.9	0	0	0	0	110.2	V87 Q89	V87-S146 PolarHBondContact N-O 3.15Å; V87-S146 PolarHBondContact O-N 3.45Å; V87-S146 PolarHBondContact O-OG 3.44Å; Q89-S146 PolarHBondContact NE2-OG 3.21Å
147	Y	92.4	Very high	96.4	Very high	39 Å²	39	41.4 Å²	41.4	15%	0.153	19%	0.19	C	C	.	.			trans	-73.3	151.2	168.7	-64.5	-74.2	0	0	0	110.6	H84 L86 Q89 Q149 Q150	H84-Y147 HydrophobicContact CB-CE1 4.13Å; H84-Y147 WeakPolarHBondContact O-CE1 3.45Å; L86-Y147 HydrophobicContact CD2-CD1 3.79Å; L86-Y147 HydrophobicContact CD2-CD2 4.18Å; L86-Y147 HydrophobicContact CD2-CE1 3.72Å; L86-Y147 HydrophobicContact CD2-CE2 4.11Å; L86-Y147 HydrophobicContact CD2-CG 4.03Å; L86-Y147 HydrophobicContact CG-CE1 4.48Å; Q89-Y147 PolarHBondContact NE2-O 3.42Å; Y147-Q149 PolarHBondContact O-N 3Å; Y147-Q149 VanDerWaalsContact O-N 3.08Å; Y147-Q150 WeakPolarHBondContact O-CB 3.45Å; Y147-Q150 PolarHBondContact O-N 3.45Å
148	P	90.5	Very high	96.4	Very high	61 Å²	61	38.8 Å²	38.8	40%	0.396	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-33	-178.6	-29.4	36.1	0	0	0	115.1	Q150	P148-Q150 VanDerWaalsContact C-N 3.31Å
149	Q	91.6	Very high	96.5	Very high	126 Å²	126	36 Å²	36	59%	0.589	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-11.5	-178.9	-54.2	78	12.1	0	0	113.2	Y147	Y147-Q149 PolarHBondContact O-N 3Å; Y147-Q149 VanDerWaalsContact O-N 3.08Å
150	Q	95.5	Very high	96.5	Very high	18 Å²	18	36 Å²	36	8%	0.084	17%	0.172	C	C	.	.	S	Bend	trans	-80.8	158.8	177.5	-66.9	-177	-56.5	0	0	111.5	P114 A115 V117 Y147 P148	P114-Q150 PolarHBondContact O-NE2 2.99Å; A115-Q150 CarbonylContact O-C 3.6Å; A115-Q150 VanDerWaalsContact O-CA 3.24Å; A115-Q150 WeakPolarHBondContact O-CA 2.99Å; A115-Q150 VanDerWaalsContact O-CB 3.28Å; A115-Q150 WeakPolarHBondContact O-CB 3.36Å; V117-Q150 HydrophobicContact CG2-CB 4.01Å; V117-Q150 VanDerWaalsContact CG2-CD 3.44Å; V117-Q150 HydrophobicContact CG2-CG 4.28Å; V117-Q150 VanDerWaalsContact CG2-OE1 3.28Å; Y147-Q150 WeakPolarHBondContact O-CB 3.45Å; Y147-Q150 PolarHBondContact O-N 3.45Å; P148-Q150 VanDerWaalsContact C-N 3.31Å
151	I	97.7	Very high	96.5	Very high	14 Å²	14	34.4 Å²	34.4	7%	0.072	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	124.6	171.1	179.1	162	0	0	0	110	K92 A93 A115 V116 V117 I153 L273 L275	K92-I151 HydrophobicContact CB-CD1 3.84Å; K92-I151 HydrophobicContact CB-CG1 3.9Å; A93-I151 HydrophobicContact CB-CD1 3.96Å; A115-I151 WeakPolarHBondContact O-CG2 3.42Å; A115-I151 PolarHBondContact O-N 3.37Å; V116-I151 HydrophobicContact CB-CG2 4.43Å; V116-I151 HydrophobicContact CG2-CG2 3.79Å; V117-I151 PolarHBondContact N-O 3Å; I151-I153 HydrophobicContact CD1-CG1 4.5Å; I151-I153 HydrophobicContact CG1-CG1 4.08Å; I151-L273 HydrophobicContact CD1-CD2 4.28Å; I151-L275 HydrophobicContact CG2-CD1 4.27Å; I151-L275 HydrophobicContact CG2-CD2 4.16Å
152	T	98.3	Very high	96.6	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.006	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	130	167.3	-63.2	0	0	0	0	109.7	P91 K92 V117 M143 P144	P91-T152 VanDerWaalsContact CA-O 3.26Å; P91-T152 WeakPolarHBondContact CA-O 3.4Å; P91-T152 HydrophobicContact CB-CG2 4.32Å; K92-T152 PolarHBondContact N-O 3.41Å; K92-T152 VanDerWaalsContact N-O 3.13Å; V117-T152 CarbonylContact O-C 3.58Å; V117-T152 VanDerWaalsContact O-CA 3.28Å; V117-T152 WeakPolarHBondContact O-CA 3.5Å; M143-T152 HydrophobicContact CB-CG2 4.18Å; M143-T152 HydrophobicContact CG-CG2 4.19Å; M143-T152 HydrophobicContact SD-CG2 3.7Å; P144-T152 HydrophobicContact CG-CG2 4.29Å
153	I	98.7	Very high	96.7	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	128.6	175.3	-54.8	-175.1	0	0	0	110.5	A93 I95 L107 L110 V116 V117 K118 A119 I151 L273	A93-I153 HydrophobicContact CB-CG1 4.35Å; A93-I153 WeakPolarHBondContact O-CA 3.43Å; I95-I153 HydrophobicContact CD1-CG2 4.23Å; I95-I153 HydrophobicContact CG1-CG2 4.13Å; L107-I153 HydrophobicContact CD1-CB 4.17Å; L107-I153 HydrophobicContact CD1-CG2 3.71Å; L110-I153 HydrophobicContact CD1-CD1 4.2Å; V116-I153 HydrophobicContact CG1-CD1 3.76Å; V116-I153 HydrophobicContact CG1-CG1 4.15Å; V116-I153 HydrophobicContact CG2-CD1 4.28Å; V117-I153 PolarHBondContact O-N 3.35Å; K118-I153 WeakPolarHBondContact CA-O 3.35Å; A119-I153 PolarHBondContact N-O 3.1Å; I151-I153 HydrophobicContact CD1-CG1 4.5Å; I151-I153 HydrophobicContact CG1-CG1 4.08Å; I153-L273 HydrophobicContact CD1-CD1 3.81Å
154	E	98.4	Very high	96.7	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	159.9	174	-164.1	-96.8	114.8	0	0	110.9	P91 A93 I95 A119 I123 Y139 M143 S156 Y159	P91-E154 HydrophobicContact CB-CB 4.22Å; P91-E154 HydrophobicContact CG-CB 4.3Å; A93-E154 PolarHBondContact O-N 2.95Å; I95-E154 PolarHBondContact N-O 2.99Å; A119-E154 HydrophobicContact CB-CB 4.34Å; A119-E154 HydrophobicContact CB-CG 4.08Å; I123-E154 HydrophobicContact CB-CG 4.47Å; I123-E154 HydrophobicContact CG1-CG 3.82Å; Y139-E154 PolarHBondContact OH-OE2 2.9Å; M143-E154 HydrophobicContact CE-CG 4.24Å; E154-S156 WeakPolarHBondContact OE1-CB 3.43Å; E154-S156 PolarHBondContact OE1-N 3.25Å; E154-S156 VanDerWaalsContact OE1-N 3.15Å; E154-S156 PolarHBondContact OE1-OG 3.4Å; E154-Y159 VanDerWaalsContact OE2-CE2 3.24Å; E154-Y159 WeakPolarHBondContact OE2-CE2 3.4Å; E154-Y159 PolarHBondContact OE2-OH 3.46Å; E154-Y159 VanDerWaalsContact OE2-OH 3.12Å
155	K	98.7	Very high	96.9	Very high	3 Å²	3	33.8 Å²	33.8	1%	0.013	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	106.7	-176.2	-179	-146.2	68.1	52.6	0	111.2	I95 T103 L107 E122	I95-K155 HydrophobicContact CB-CB 3.96Å; I95-K155 HydrophobicContact CB-CG 3.77Å; I95-K155 HydrophobicContact CD1-CB 4.35Å; I95-K155 HydrophobicContact CD1-CG 4.3Å; I95-K155 HydrophobicContact CG2-CG 3.86Å; I95-K155 WeakPolarHBondContact O-CA 3.48Å; T103-K155 WeakPolarHBondContact O-CD 3.48Å; L107-K155 HydrophobicContact CB-CD 4.08Å; L107-K155 HydrophobicContact CD1-CB 4.3Å; L107-K155 HydrophobicContact CD2-CB 3.88Å; L107-K155 HydrophobicContact CD2-CD 4.09Å; L107-K155 HydrophobicContact CG-CB 4.46Å; E122-K155 VanDerWaalsContact CG-NZ 3.29Å; E122-K155 WeakPolarHBondContact CG-O 3.39Å; E122-K155 IonicContact OE1-NZ 2.86Å; E122-K155 PolarHBondContact OE1-NZ 3.41Å; E122-K155 IonicContact OE2-NZ 3.38Å
156	S	98.7	Very high	97.1	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.152	C	C	.	.			trans	-131.2	97	174.7	-99.5	0	0	0	0	109.5	I95 I96 H124 E154 A158 Y159	I95-S156 PolarHBondContact O-N 3.49Å; I96-S156 VanDerWaalsContact O-O 3.08Å; H124-S156 PolarHBondContact N-OG 3.04Å; E154-S156 WeakPolarHBondContact OE1-CB 3.43Å; E154-S156 PolarHBondContact OE1-N 3.25Å; E154-S156 VanDerWaalsContact OE1-N 3.15Å; E154-S156 PolarHBondContact OE1-OG 3.4Å; S156-A158 PolarHBondContact O-N 3.48Å; S156-A158 VanDerWaalsContact O-N 3.1Å; S156-Y159 VanDerWaalsContact CB-CE1 3.42Å; S156-Y159 VanDerWaalsContact CB-CE2 3.42Å; S156-Y159 VanDerWaalsContact O-CB 3.26Å; S156-Y159 WeakPolarHBondContact O-CB 3.45Å; S156-Y159 VanDerWaalsContact O-CG 3.3Å; S156-Y159 PolarHBondContact O-N 3.05Å; S156-Y159 VanDerWaalsContact O-N 3.07Å
157	P	98.6	Very high	97.4	Very high	8 Å²	8	33.1 Å²	33.1	5%	0.052	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-14.9	-169.9	-20.5	34.6	0	0	0	115	I96 R99 T103 E122 Y159	I96-P157 CarbonylContact O-C 3.57Å; I96-P157 WeakPolarHBondContact O-CA 3.35Å; R99-P157 HydrophobicContact CB-CB 4.18Å; T103-P157 HydrophobicContact CG2-CB 4.11Å; T103-P157 HydrophobicContact CG2-CG 3.96Å; T103-P157 WeakPolarHBondContact OG1-CG 3.43Å; E122-P157 WeakPolarHBondContact OE2-CD 3.48Å; P157-Y159 VanDerWaalsContact C-N 3.31Å
158	A	98.5	Very high	97.7	Very high	29 Å²	29	32.9 Å²	32.9	24%	0.24	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-25.9	175.4	0	0	0	0	0	112	D127 S156 F160 I161 T162	D127-A158 WeakPolarHBondContact OD2-CB 3.32Å; S156-A158 PolarHBondContact O-N 3.48Å; S156-A158 VanDerWaalsContact O-N 3.1Å; A158-F160 PolarHBondContact O-N 3.21Å; A158-F160 VanDerWaalsContact O-N 3.16Å; A158-I161 VanDerWaalsContact O-CG1 3.24Å; A158-I161 WeakPolarHBondContact O-CG1 3.36Å; A158-I161 PolarHBondContact O-N 3.06Å; A158-T162 PolarHBondContact O-N 2.92Å; A158-T162 PolarHBondContact O-OG1 2.9Å; A158-T162 VanDerWaalsContact O-OG1 3.12Å
159	Y	98.9	Very high	98.1	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.4	-45.1	178.8	-72.4	-3.1	0	0	0	112	I94 I96 F125 F126 D127 E154 S156 P157 I161 T162 V165 I169 W241	I94-Y159 HydrophobicContact CG2-CD2 3.99Å; I94-Y159 HydrophobicContact CG2-CE2 4.07Å; I96-Y159 HydrophobicContact CG2-CD2 4.35Å; F125-Y159 PolarHBondContact N-OH 2.6Å; F126-Y159 HydrophobicContact CB-CD1 4.37Å; F126-Y159 HydrophobicContact CB-CE1 3.96Å; F126-Y159 HydrophobicContact CD2-CD2 4.37Å; F126-Y159 HydrophobicContact CD2-CE1 4.33Å; F126-Y159 AromaticContact CD2-CE2 3.63Å; F126-Y159 HydrophobicContact CD2-CE2 3.63Å; F126-Y159 AromaticContact CD2-CZ 3.62Å; F126-Y159 HydrophobicContact CE2-CE2 4.39Å; D127-Y159 HydrophobicContact CB-CD1 3.88Å; D127-Y159 HydrophobicContact CB-CE1 4.08Å; D127-Y159 WeakPolarHBondContact OD1-CE1 3.46Å; E154-Y159 VanDerWaalsContact OE2-CE2 3.24Å; E154-Y159 WeakPolarHBondContact OE2-CE2 3.4Å; E154-Y159 PolarHBondContact OE2-OH 3.46Å; E154-Y159 VanDerWaalsContact OE2-OH 3.12Å; S156-Y159 VanDerWaalsContact CB-CE1 3.42Å; S156-Y159 VanDerWaalsContact CB-CE2 3.42Å; S156-Y159 VanDerWaalsContact O-CB 3.26Å; S156-Y159 WeakPolarHBondContact O-CB 3.45Å; S156-Y159 VanDerWaalsContact O-CG 3.3Å; S156-Y159 PolarHBondContact O-N 3.05Å; S156-Y159 VanDerWaalsContact O-N 3.07Å; P157-Y159 VanDerWaalsContact C-N 3.31Å; Y159-I161 PolarHBondContact O-N 3.19Å; Y159-I161 VanDerWaalsContact O-N 3.09Å; Y159-T162 PolarHBondContact O-N 3.28Å; Y159-V165 HydrophobicContact CD1-CG1 4.1Å; Y159-V165 HydrophobicContact CD1-CG2 4.22Å; Y159-V165 HydrophobicContact CD2-CG1 4.35Å; Y159-V165 HydrophobicContact CG-CG1 3.79Å; Y159-I169 HydrophobicContact CD2-CD1 4.16Å; Y159-W241 WeakPolarHBondContact O-CZ2 3.27Å
160	F	98.9	Very high	98.5	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-34.8	-177.3	-172.5	-113.5	0	0	0	114.1	I96 V98 A158 I180 Y234 H237 W241	I96-F160 HydrophobicContact CD1-CD2 4.06Å; I96-F160 HydrophobicContact CG1-CD2 4.38Å; I96-F160 VanDerWaalsContact O-CB 3.31Å; I96-F160 WeakPolarHBondContact O-CB 3.34Å; I96-F160 PolarHBondContact O-N 3.37Å; V98-F160 HydrophobicContact CB-CD1 4.3Å; V98-F160 HydrophobicContact CG1-CD1 4.04Å; V98-F160 HydrophobicContact CG1-CE1 4.47Å; V98-F160 HydrophobicContact CG2-CD1 3.47Å; V98-F160 VanDerWaalsContact CG2-CD1 3.47Å; V98-F160 HydrophobicContact CG2-CE1 3.49Å; V98-F160 VanDerWaalsContact CG2-CE1 3.49Å; V98-F160 HydrophobicContact CG2-CG 4.07Å; V98-F160 HydrophobicContact CG2-CZ 4.16Å; A158-F160 PolarHBondContact O-N 3.21Å; A158-F160 VanDerWaalsContact O-N 3.16Å; F160-I180 HydrophobicContact CD2-CD1 4.32Å; F160-I180 HydrophobicContact CD2-CG1 4.49Å; F160-I180 HydrophobicContact CD2-CG2 4.43Å; F160-I180 HydrophobicContact CE2-CD1 3.77Å; F160-I180 HydrophobicContact CE2-CG1 4.34Å; F160-I180 HydrophobicContact CE2-CG2 4.13Å; F160-I180 HydrophobicContact CZ-CG2 4.43Å; F160-Y234 HydrophobicContact CE1-CD1 4.29Å; F160-H237 HydrophobicContact CD1-CB 3.76Å; F160-H237 HydrophobicContact CD2-CB 4.49Å; F160-H237 HydrophobicContact CE1-CB 3.28Å; F160-H237 AromaticContact CE1-CG 3.85Å; F160-H237 HydrophobicContact CE2-CB 4.06Å; F160-H237 HydrophobicContact CG-CB 4.36Å; F160-H237 HydrophobicContact CZ-CB 3.46Å; F160-H237 VanDerWaalsContact CZ-CB 3.46Å; F160-W241 AromaticContact CD2-NE1 3.79Å; F160-W241 PolarHBondContact O-NE1 3.44Å
161	I	98.6	Very high	98.6	Very high	60 Å²	60	34.7 Å²	34.7	31%	0.308	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.1	-26	-175	64.4	165	0	0	0	114.2	A158 Y159 T231 R240	A158-I161 VanDerWaalsContact O-CG1 3.24Å; A158-I161 WeakPolarHBondContact O-CG1 3.36Å; A158-I161 PolarHBondContact O-N 3.06Å; Y159-I161 PolarHBondContact O-N 3.19Å; Y159-I161 VanDerWaalsContact O-N 3.09Å; I161-T231 HydrophobicContact CG2-CG2 3.94Å; I161-R240 PolarHBondContact O-NH2 3.01Å
162	T	98.7	Very high	98.7	Very high	32 Å²	32	35.9 Å²	35.9	20%	0.196	17%	0.17	C	C	.	.			trans	-70.3	133	-178.2	-53.2	0	0	0	0	110.5	D127 A158 Y159 E164 V165	D127-T162 HydrophobicContact CB-CG2 4.07Å; A158-T162 PolarHBondContact O-N 2.92Å; A158-T162 PolarHBondContact O-OG1 2.9Å; A158-T162 VanDerWaalsContact O-OG1 3.12Å; Y159-T162 PolarHBondContact O-N 3.28Å; T162-E164 HydrophobicContact CG2-CG 3.99Å; T162-E164 WeakPolarHBondContact CG2-OE1 3.42Å; T162-V165 HydrophobicContact CG2-CG2 3.76Å
163	E	98.4	Very high	98.7	Very high	159 Å²	159	38.6 Å²	38.6	74%	0.743	18%	0.184	S	C	*	.	S	Bend	trans	-72.9	-37.6	-165.3	-64.8	-175.5	177.8	0	0	113.6	P166	E163-P166 WeakPolarHBondContact O-CD 3.4Å
164	E	98.6	Very high	98.7	Very high	71 Å²	71	40.9 Å²	40.9	33%	0.332	20%	0.201	S	C	.	.	S	Bend	trans	-79.2	-16.6	-178.3	63.7	-137.4	151.5	0	0	114.7	T162 E167 R168	T162-E164 HydrophobicContact CG2-CG 3.99Å; T162-E164 WeakPolarHBondContact CG2-OE1 3.42Å; E164-E167 PolarHBondContact O-N 2.99Å; E164-R168 WeakPolarHBondContact O-CG 3.28Å; E164-R168 PolarHBondContact O-N 3.19Å; E164-R168 IonicContact OE2-CZ 3.61Å; E164-R168 IonicContact OE2-NH2 3.04Å; E164-R168 PolarHBondContact OE2-NH2 3.34Å; E164-R168 VanDerWaalsContact OE2-NH2 3.13Å
165	V	98.9	Very high	98.7	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-64	-43.5	-170.7	172.6	0	0	0	0	113.8	F126 D127 Y159 T162 E167 R168 I169 W241	F126-V165 HydrophobicContact CB-CB 4.3Å; F126-V165 HydrophobicContact CB-CG1 3.78Å; F126-V165 HydrophobicContact CB-CG2 3.93Å; F126-V165 WeakPolarHBondContact O-CG2 3.36Å; D127-V165 HydrophobicContact CB-CG2 3.89Å; Y159-V165 HydrophobicContact CD1-CG1 4.1Å; Y159-V165 HydrophobicContact CD1-CG2 4.22Å; Y159-V165 HydrophobicContact CD2-CG1 4.35Å; Y159-V165 HydrophobicContact CG-CG1 3.79Å; T162-V165 HydrophobicContact CG2-CG2 3.76Å; V165-E167 VanDerWaalsContact C-N 3.32Å; V165-E167 PolarHBondContact O-N 3.37Å; V165-R168 PolarHBondContact O-N 2.93Å; V165-I169 HydrophobicContact CG1-CD1 3.56Å; V165-I169 HydrophobicContact CG1-CG1 4.01Å; V165-I169 WeakPolarHBondContact O-CG1 3.5Å; V165-I169 PolarHBondContact O-N 3.38Å; V165-W241 HydrophobicContact CG1-CH2 3.86Å; V165-W241 HydrophobicContact CG1-CZ2 4.05Å
166	P	98.9	Very high	98.7	Very high	1 Å²	1	45 Å²	45	1%	0.006	23%	0.23	C	C	.	.	H	α-helix	trans	-54.2	-46.9	178.7	-26.8	35.3	0	0	0	112.8	E163 I169 Y170 W241 Y244 F245	E163-P166 WeakPolarHBondContact O-CD 3.4Å; P166-I169 PolarHBondContact O-N 3.26Å; P166-Y170 VanDerWaalsContact O-CB 3.32Å; P166-Y170 WeakPolarHBondContact O-CB 3.41Å; P166-Y170 PolarHBondContact O-N 3.12Å; P166-W241 HydrophobicContact CB-CD2 4.21Å; P166-W241 HydrophobicContact CB-CE3 4.21Å; P166-W241 HydrophobicContact CG-CD2 3.78Å; P166-W241 HydrophobicContact CG-CE3 4.22Å; P166-W241 HydrophobicContact CG-CG 4.02Å; P166-W241 HydrophobicContact CG-CZ2 4.27Å; P166-Y244 HydrophobicContact CB-CD2 3.56Å; P166-Y244 HydrophobicContact CB-CE2 4.04Å; P166-Y244 HydrophobicContact CB-CG 4.22Å; P166-F245 WeakPolarHBondContact O-CE2 3.1Å
167	E	98.9	Very high	98.7	Very high	73 Å²	73	47.3 Å²	47.3	34%	0.341	24%	0.24	S	C	.	.	H	α-helix	trans	-63	-45.6	178.4	-173.5	-179.6	159.9	0	0	112	E164 V165 I169 Y170 K171 Y244	E164-E167 PolarHBondContact O-N 2.99Å; V165-E167 VanDerWaalsContact C-N 3.32Å; V165-E167 PolarHBondContact O-N 3.37Å; E167-I169 VanDerWaalsContact C-N 3.35Å; E167-I169 PolarHBondContact O-N 2.91Å; E167-Y170 WeakPolarHBondContact O-CB 3.26Å; E167-Y170 PolarHBondContact O-N 3.37Å; E167-K171 HydrophobicContact CG-CD 4.39Å; E167-K171 WeakPolarHBondContact O-CG 3.32Å; E167-K171 PolarHBondContact O-N 3.06Å; E167-K171 WeakPolarHBondContact OE1-CE 3.28Å; E167-K171 IonicContact OE1-NZ 3.25Å; E167-K171 PolarHBondContact OE1-NZ 3.18Å; E167-Y244 HydrophobicContact CB-CD1 4.3Å; E167-Y244 HydrophobicContact CB-CE1 3.56Å; E167-Y244 HydrophobicContact CB-CE2 4.3Å; E167-Y244 HydrophobicContact CG-CE1 3.67Å; E167-Y244 PolarHBondContact OE2-OH 3.11Å
168	R	98.8	Very high	98.7	Very high	34 Å²	34	46.9 Å²	46.9	13%	0.128	24%	0.237	C	C	.	.	H	α-helix	trans	-64.2	-40	-178.4	-65.1	176.2	179.6	-172.9	-1	111.8	F126 D129 Y132 E164 V165 M172	F126-R168 HydrophobicContact CB-CB 4.45Å; F126-R168 HydrophobicContact CD1-CB 3.64Å; F126-R168 HydrophobicContact CE1-CB 4.37Å; F126-R168 HydrophobicContact CG-CB 4.47Å; F126-R168 VanDerWaalsContact O-CD 3.27Å; F126-R168 WeakPolarHBondContact O-CD 3.37Å; F126-R168 PolarHBondContact O-NH1 2.93Å; D129-R168 IonicContact OD1-CZ 3.25Å; D129-R168 VanDerWaalsContact OD1-CZ 3.24Å; D129-R168 IonicContact OD1-NH1 2.71Å; D129-R168 PolarHBondContact OD1-NH1 3.11Å; D129-R168 IonicContact OD1-NH2 2.76Å; D129-R168 PolarHBondContact OD1-NH2 3.44Å; Y132-R168 HydrophobicContact CD1-CG 4.5Å; Y132-R168 HydrophobicContact CD2-CB 4.48Å; Y132-R168 HydrophobicContact CD2-CG 4.47Å; Y132-R168 HydrophobicContact CE1-CG 3.9Å; Y132-R168 HydrophobicContact CE2-CB 3.72Å; Y132-R168 HydrophobicContact CE2-CG 3.87Å; E164-R168 WeakPolarHBondContact O-CG 3.28Å; E164-R168 PolarHBondContact O-N 3.19Å; E164-R168 IonicContact OE2-CZ 3.61Å; E164-R168 IonicContact OE2-NH2 3.04Å; E164-R168 PolarHBondContact OE2-NH2 3.34Å; E164-R168 VanDerWaalsContact OE2-NH2 3.13Å; V165-R168 PolarHBondContact O-N 2.93Å; R168-M172 PolarHBondContact O-N 2.88Å
169	I	98.9	Very high	98.8	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-67.8	-40.4	174.3	-65.4	179.7	0	0	0	110.4	I94 I96 F126 Y159 V165 P166 E167 K171 M172 N173 I176 W241 F245	I94-I169 HydrophobicContact CD1-CD1 4.18Å; I94-I169 HydrophobicContact CD1-CG2 4.36Å; I96-I169 HydrophobicContact CG2-CD1 4.42Å; F126-I169 HydrophobicContact CB-CG1 4.32Å; F126-I169 HydrophobicContact CD1-CG1 3.89Å; F126-I169 HydrophobicContact CD2-CD1 3.86Å; F126-I169 HydrophobicContact CD2-CG1 3.47Å; F126-I169 VanDerWaalsContact CD2-CG1 3.47Å; F126-I169 HydrophobicContact CE1-CG1 3.97Å; F126-I169 HydrophobicContact CE2-CD1 4.18Å; F126-I169 HydrophobicContact CE2-CG1 3.6Å; F126-I169 HydrophobicContact CG-CD1 4.31Å; F126-I169 HydrophobicContact CG-CG1 3.62Å; F126-I169 HydrophobicContact CZ-CG1 3.84Å; Y159-I169 HydrophobicContact CD2-CD1 4.16Å; V165-I169 HydrophobicContact CG1-CD1 3.56Å; V165-I169 HydrophobicContact CG1-CG1 4.01Å; V165-I169 WeakPolarHBondContact O-CG1 3.5Å; V165-I169 PolarHBondContact O-N 3.38Å; P166-I169 PolarHBondContact O-N 3.26Å; E167-I169 VanDerWaalsContact C-N 3.35Å; E167-I169 PolarHBondContact O-N 2.91Å; I169-K171 VanDerWaalsContact C-N 3.34Å; I169-K171 PolarHBondContact O-N 3.36Å; I169-M172 HydrophobicContact CG2-CE 4.42Å; I169-M172 WeakPolarHBondContact O-CB 3.41Å; I169-M172 PolarHBondContact O-N 3.31Å; I169-M172 VanDerWaalsContact O-N 3.11Å; I169-N173 PolarHBondContact O-N 3.01Å; I169-I176 HydrophobicContact CG2-CG2 3.75Å; I169-W241 HydrophobicContact CD1-CH2 3.69Å; I169-W241 HydrophobicContact CD1-CZ3 4.01Å; I169-F245 HydrophobicContact CB-CE2 4.49Å; I169-F245 HydrophobicContact CB-CZ 4.1Å; I169-F245 HydrophobicContact CG2-CE2 4.42Å; I169-F245 HydrophobicContact CG2-CZ 3.74Å
170	Y	98.9	Very high	98.8	Very high	105 Å²	105	45.5 Å²	45.5	41%	0.412	23%	0.226	S	C	.	.	H	α-helix	trans	-61.7	-42.6	179.2	-177.5	-93.1	0	0	0	111.6	P166 E167 M172 N173 S174 Y244 F245	P166-Y170 VanDerWaalsContact O-CB 3.32Å; P166-Y170 WeakPolarHBondContact O-CB 3.41Å; P166-Y170 PolarHBondContact O-N 3.12Å; E167-Y170 WeakPolarHBondContact O-CB 3.26Å; E167-Y170 PolarHBondContact O-N 3.37Å; Y170-M172 VanDerWaalsContact C-N 3.28Å; Y170-M172 PolarHBondContact O-N 2.94Å; Y170-N173 CarbonylContact O-C 3.4Å; Y170-N173 PolarHBondContact O-N 3.25Å; Y170-S174 PolarHBondContact O-N 3.06Å; Y170-S174 VanDerWaalsContact O-N 3.14Å; Y170-Y244 HydrophobicContact CD1-CD1 4.34Å; Y170-Y244 WeakPolarHBondContact CD2-O 3.44Å; Y170-Y244 WeakPolarHBondContact CE2-O 3.48Å; Y170-Y244 HydrophobicContact CG-CD1 4.1Å; Y170-F245 HydrophobicContact CD2-CD1 4.19Å; Y170-F245 AromaticContact CD2-CE1 3.9Å; Y170-F245 HydrophobicContact CD2-CE1 3.9Å; Y170-F245 HydrophobicContact CD2-CZ 4.18Å; Y170-F245 HydrophobicContact CG-CZ 4.46Å
171	K	98.8	Very high	98.8	Very high	139 Å²	139	45.5 Å²	45.5	60%	0.604	23%	0.226	S	C	*	.	H	α-helix	trans	-60.9	-34.3	173.8	-74.4	177.6	-177.9	171.3	0	113.1	E167 I169	E167-K171 HydrophobicContact CG-CD 4.39Å; E167-K171 WeakPolarHBondContact O-CG 3.32Å; E167-K171 PolarHBondContact O-N 3.06Å; E167-K171 WeakPolarHBondContact OE1-CE 3.28Å; E167-K171 IonicContact OE1-NZ 3.25Å; E167-K171 PolarHBondContact OE1-NZ 3.18Å; I169-K171 VanDerWaalsContact C-N 3.34Å; I169-K171 PolarHBondContact O-N 3.36Å
172	M	98.7	Very high	98.8	Very high	39 Å²	39	42.7 Å²	42.7	19%	0.192	21%	0.211	C	C	.	.	H	α-helix	trans	-71.6	-50.1	175	176.6	-168.6	66.3	0	0	111.4	L90 I94 F126 I136 Y139 R168 I169 Y170 I176	L90-M172 HydrophobicContact CD1-CG 4.3Å; L90-M172 HydrophobicContact CD1-SD 4.29Å; L90-M172 HydrophobicContact CD2-SD 4.34Å; I94-M172 HydrophobicContact CD1-CE 4.26Å; F126-M172 HydrophobicContact CE1-CB 4.4Å; F126-M172 HydrophobicContact CE2-CE 4.41Å; F126-M172 HydrophobicContact CZ-CB 4.38Å; F126-M172 HydrophobicContact CZ-CE 3.83Å; F126-M172 HydrophobicContact CZ-SD 3.67Å; I136-M172 HydrophobicContact CD1-CB 4.31Å; I136-M172 HydrophobicContact CD1-CG 3.56Å; I136-M172 HydrophobicContact CD1-SD 3.55Å; I136-M172 VanDerWaalsContact CD1-SD 3.55Å; I136-M172 HydrophobicContact CG1-CG 4.4Å; Y139-M172 HydrophobicContact CD1-SD 4.1Å; Y139-M172 HydrophobicContact CE1-SD 3.87Å; R168-M172 PolarHBondContact O-N 2.88Å; I169-M172 HydrophobicContact CG2-CE 4.42Å; I169-M172 WeakPolarHBondContact O-CB 3.41Å; I169-M172 PolarHBondContact O-N 3.31Å; I169-M172 VanDerWaalsContact O-N 3.11Å; Y170-M172 VanDerWaalsContact C-N 3.28Å; Y170-M172 PolarHBondContact O-N 2.94Å; M172-I176 HydrophobicContact CE-CD1 3.63Å
173	N	98.6	Very high	98.7	Very high	57 Å²	57	43.2 Å²	43.2	31%	0.305	21%	0.21	S	C	.	.			trans	-159.7	102.1	-177.2	-179.2	0.9	0	0	0	110	I169 Y170 S175 I176	I169-N173 PolarHBondContact O-N 3.01Å; Y170-N173 CarbonylContact O-C 3.4Å; Y170-N173 PolarHBondContact O-N 3.25Å; N173-S175 PolarHBondContact O-N 2.85Å; N173-S175 WeakPolarHBondContact OD1-CA 3.44Å; N173-S175 PolarHBondContact OD1-N 3.33Å; N173-I176 HydrophobicContact CB-CB 4.17Å; N173-I176 WeakPolarHBondContact O-CB 3.24Å; N173-I176 WeakPolarHBondContact O-CG2 3.41Å; N173-I176 PolarHBondContact O-N 2.77Å; N173-I176 PolarHBondContact OD1-N 3.41Å
174	S	98.6	Very high	98.8	Very high	49 Å²	49	36.2 Å²	36.2	34%	0.343	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-21.6	178.4	56.5	0	0	0	0	113.4	Y170 Q249	Y170-S174 PolarHBondContact O-N 3.06Å; Y170-S174 VanDerWaalsContact O-N 3.14Å; S174-Q249 PolarHBondContact O-NE2 2.88Å; S174-Q249 PolarHBondContact O-OE1 3.22Å
175	S	98.7	Very high	98.8	Very high	88 Å²	88	32.8 Å²	32.8	62%	0.615	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.8	11.5	-178.6	-57.2	0	0	0	0	113.8	N173	N173-S175 PolarHBondContact O-N 2.85Å; N173-S175 WeakPolarHBondContact OD1-CA 3.44Å; N173-S175 PolarHBondContact OD1-N 3.33Å
176	I	98.8	Very high	98.8	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.005	16%	0.161	C	C	.	.			trans	-67.8	146.1	-177.4	-161	166.4	0	0	0	112.2	P91 K92 I94 I169 M172 N173 L178 F245 Q249	P91-I176 WeakPolarHBondContact O-CD1 3.33Å; K92-I176 WeakPolarHBondContact O-CG1 3.24Å; I94-I176 HydrophobicContact CD1-CD1 3.56Å; I94-I176 HydrophobicContact CG1-CD1 3.71Å; I169-I176 HydrophobicContact CG2-CG2 3.75Å; M172-I176 HydrophobicContact CE-CD1 3.63Å; N173-I176 HydrophobicContact CB-CB 4.17Å; N173-I176 WeakPolarHBondContact O-CB 3.24Å; N173-I176 WeakPolarHBondContact O-CG2 3.41Å; N173-I176 PolarHBondContact O-N 2.77Å; N173-I176 PolarHBondContact OD1-N 3.41Å; I176-L178 HydrophobicContact CG2-CD2 3.88Å; I176-L178 HydrophobicContact CG2-CG 4.2Å; I176-F245 HydrophobicContact CG2-CE1 3.82Å; I176-F245 HydrophobicContact CG2-CZ 4.22Å; I176-Q249 PolarHBondContact O-NE2 2.91Å
177	K	98.9	Very high	98.8	Very high	48 Å²	48	34.5 Å²	34.5	21%	0.209	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	134.7	173.3	-71.1	-174.7	-178.9	179.1	0	111.3	K92 A93 I94 F272 L273 N274	K92-K177 PolarHBondContact O-N 3.26Å; A93-K177 WeakPolarHBondContact CA-O 3.42Å; A93-K177 HydrophobicContact CB-CB 4.15Å; I94-K177 PolarHBondContact N-O 3.13Å; I94-K177 VanDerWaalsContact N-O 3.07Å; K177-F272 HydrophobicContact CB-CE1 3.72Å; K177-F272 HydrophobicContact CB-CZ 3.8Å; K177-F272 HydrophobicContact CD-CD1 4.46Å; K177-F272 HydrophobicContact CD-CE1 4.09Å; K177-F272 HydrophobicContact CD-CZ 4.11Å; K177-F272 WeakPolarHBondContact CD-O 3.49Å; K177-F272 WeakPolarHBondContact CE-O 3.48Å; K177-F272 HydrophobicContact CG-CE1 4.18Å; K177-F272 HydrophobicContact CG-CZ 3.95Å; K177-F272 PolarHBondContact NZ-O 2.83Å; K177-L273 HydrophobicContact CB-CD2 4.24Å; K177-L273 HydrophobicContact CD-CD2 4.06Å; K177-N274 VanDerWaalsContact NZ-CG 3.27Å; K177-N274 PolarHBondContact NZ-ND2 3.35Å; K177-N274 PolarHBondContact NZ-OD1 3Å
178	L	98.9	Very high	98.8	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	125.2	-174.4	-60.9	173.8	0	0	0	110.3	I94 I96 I176 W241 F245 Q249 F250 H251	I94-L178 HydrophobicContact CB-CD2 4.35Å; I96-L178 HydrophobicContact CD1-CB 4.31Å; I96-L178 HydrophobicContact CG2-CD2 3.81Å; I176-L178 HydrophobicContact CG2-CD2 3.88Å; I176-L178 HydrophobicContact CG2-CG 4.2Å; L178-W241 HydrophobicContact CD1-CE3 3.69Å; L178-W241 HydrophobicContact CD1-CZ3 3.7Å; L178-W241 HydrophobicContact CD2-CZ3 4.15Å; L178-F245 HydrophobicContact CD1-CB 4.3Å; L178-F245 HydrophobicContact CD1-CD1 4.23Å; L178-F245 HydrophobicContact CD1-CD2 3.71Å; L178-F245 HydrophobicContact CD1-CE1 4.5Å; L178-F245 HydrophobicContact CD1-CE2 4.01Å; L178-F245 HydrophobicContact CD1-CG 3.82Å; L178-F245 HydrophobicContact CD1-CZ 4.38Å; L178-Q249 PolarHBondContact N-O 3Å; L178-F250 HydrophobicContact CB-CD1 3.71Å; L178-F250 HydrophobicContact CB-CE1 3.85Å; L178-F250 HydrophobicContact CB-CG 4.41Å; L178-F250 HydrophobicContact CD1-CD1 4.08Å; L178-F250 HydrophobicContact CD1-CE1 3.37Å; L178-F250 HydrophobicContact CD1-CE2 4.35Å; L178-F250 HydrophobicContact CD1-CZ 3.51Å; L178-F250 HydrophobicContact CG-CE1 4.26Å; L178-F250 CarbonylContact O-C 3.59Å; L178-F250 WeakPolarHBondContact O-CA 3.45Å; L178-H251 PolarHBondContact O-N 3.36Å
179	L	98.9	Very high	98.8	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	127.4	176.9	-72.1	166.2	0	0	0	109.7	I94 I95 I96 L110 H251 V253 V269 F272 L273	I94-L179 PolarHBondContact O-N 2.76Å; I95-L179 WeakPolarHBondContact CA-O 3.28Å; I95-L179 HydrophobicContact CB-CB 4.39Å; I95-L179 HydrophobicContact CG1-CB 3.88Å; I95-L179 HydrophobicContact CG1-CD1 3.91Å; I96-L179 PolarHBondContact N-O 2.95Å; L110-L179 HydrophobicContact CD1-CD1 3.97Å; L179-H251 HydrophobicContact CD2-CB 3.86Å; L179-V253 HydrophobicContact CD2-CG2 4.36Å; L179-V269 HydrophobicContact CD1-CG1 4.01Å; L179-V269 HydrophobicContact CD2-CG1 3.79Å; L179-V269 HydrophobicContact CD2-CG2 4.24Å; L179-F272 HydrophobicContact CD2-CD1 3.95Å; L179-F272 HydrophobicContact CD2-CE1 4.07Å; L179-F272 HydrophobicContact CG-CE1 4.41Å; L179-L273 HydrophobicContact CD1-CD1 4.43Å
180	I	98.9	Very high	98.7	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	118.9	173.8	-52.2	169.3	0	0	0	107.5	I96 V98 F160 V182 L238 F250 H251 V252 V253	I96-I180 HydrophobicContact CD1-CD1 4.17Å; I96-I180 HydrophobicContact CD1-CG1 3.77Å; I96-I180 HydrophobicContact CG1-CG1 3.82Å; V98-I180 HydrophobicContact CG2-CG2 3.92Å; F160-I180 HydrophobicContact CD2-CD1 4.32Å; F160-I180 HydrophobicContact CD2-CG1 4.49Å; F160-I180 HydrophobicContact CD2-CG2 4.43Å; F160-I180 HydrophobicContact CE2-CD1 3.77Å; F160-I180 HydrophobicContact CE2-CG1 4.34Å; F160-I180 HydrophobicContact CE2-CG2 4.13Å; F160-I180 HydrophobicContact CZ-CG2 4.43Å; I180-V182 HydrophobicContact CG2-CG1 3.86Å; I180-L238 HydrophobicContact CD1-CD1 3.94Å; I180-F250 HydrophobicContact CD1-CD1 3.61Å; I180-F250 HydrophobicContact CD1-CE1 4.21Å; I180-F250 HydrophobicContact CG1-CD1 4.24Å; I180-H251 PolarHBondContact N-O 3.47Å; I180-V252 CarbonylContact O-C 3.53Å; I180-V252 VanDerWaalsContact O-CA 3.28Å; I180-V252 WeakPolarHBondContact O-CA 3.18Å; I180-V253 PolarHBondContact O-N 2.93Å
181	I	98.9	Very high	98.7	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	120.4	170.1	179.4	167.1	0	0	0	110.1	I95 G97 V98 G101 T103 L106 V253 L258	I95-I181 HydrophobicContact CG2-CG2 4.43Å; G97-I181 WeakPolarHBondContact O-CG2 3.12Å; G97-I181 PolarHBondContact O-N 3.44Å; V98-I181 PolarHBondContact N-O 3.4Å; G101-I181 WeakPolarHBondContact O-CD1 3.27Å; G101-I181 WeakPolarHBondContact O-CG1 3.25Å; T103-I181 HydrophobicContact CG2-CG2 3.46Å; T103-I181 VanDerWaalsContact CG2-CG2 3.46Å; L106-I181 HydrophobicContact CB-CD1 4.2Å; L106-I181 HydrophobicContact CD2-CB 4.08Å; L106-I181 HydrophobicContact CD2-CG2 4.17Å; I181-V253 WeakPolarHBondContact CA-O 3.27Å; I181-V253 HydrophobicContact CB-CB 3.99Å; I181-V253 HydrophobicContact CB-CG1 4.43Å; I181-V253 HydrophobicContact CD1-CG1 4.03Å; I181-V253 HydrophobicContact CG1-CB 4.16Å; I181-V253 HydrophobicContact CG1-CG1 4.14Å; I181-L258 HydrophobicContact CD1-CB 4.45Å; I181-L258 HydrophobicContact CD1-CD2 3.43Å; I181-L258 VanDerWaalsContact CD1-CD2 3.43Å
182	V	98.9	Very high	98.7	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	157.2	-177.6	-69.3	0	0	0	0	110.8	V98 I180 Y234 V252 V253 G255 F335 L343 W345	V98-V182 HydrophobicContact CG2-CG1 3.9Å; I180-V182 HydrophobicContact CG2-CG1 3.86Å; V182-Y234 HydrophobicContact CB-CD2 4.22Å; V182-Y234 HydrophobicContact CB-CE2 3.89Å; V182-Y234 HydrophobicContact CG1-CD1 4.2Å; V182-Y234 HydrophobicContact CG1-CD2 3.96Å; V182-Y234 HydrophobicContact CG1-CE1 4.25Å; V182-Y234 HydrophobicContact CG1-CE2 4.02Å; V182-Y234 HydrophobicContact CG1-CG 4.04Å; V182-V252 HydrophobicContact CG2-CG1 3.62Å; V182-V253 PolarHBondContact N-O 3.1Å; V182-V253 VanDerWaalsContact N-O 3.12Å; V182-G255 VanDerWaalsContact O-CA 3.24Å; V182-G255 WeakPolarHBondContact O-CA 3.46Å; V182-G255 PolarHBondContact O-N 3.27Å; V182-F335 HydrophobicContact CG1-CE1 4.49Å; V182-F335 HydrophobicContact CG1-CZ 4.04Å; V182-F335 HydrophobicContact CG2-CE1 4.13Å; V182-F335 HydrophobicContact CG2-CZ 4.37Å; V182-L343 HydrophobicContact CG2-CD1 3.48Å; V182-L343 VanDerWaalsContact CG2-CD1 3.48Å; V182-W345 HydrophobicContact CB-CH2 3.93Å; V182-W345 HydrophobicContact CB-CZ2 4.01Å; V182-W345 HydrophobicContact CG2-CH2 3.77Å; V182-W345 HydrophobicContact CG2-CZ2 3.77Å
183	R	98.1	Very high	98.7	Very high	44 Å²	44	18.2 Å²	18.2	17%	0.166	10%	0.103	C	C	.	.			trans	-135.7	171.8	174.4	-70.5	-173.2	66.2	-172.8	2.2	109.2	G101 P185 Y234 D256 W345	G101-R183 WeakPolarHBondContact O-CD 3.38Å; G101-R183 VanDerWaalsContact O-CG 3.31Å; G101-R183 WeakPolarHBondContact O-CG 3.32Å; R183-P185 WeakPolarHBondContact O-CD 3.4Å; R183-P185 VanDerWaalsContact O-N 3.09Å; R183-Y234 WeakPolarHBondContact O-CE2 3.5Å; R183-Y234 PolarHBondContact O-OH 2.95Å; R183-D256 WeakPolarHBondContact CA-OD2 3.43Å; R183-D256 WeakPolarHBondContact CB-OD1 3.42Å; R183-D256 IonicContact CZ-OD1 3.88Å; R183-D256 IonicContact NE-OD1 3.69Å; R183-D256 PolarHBondContact NE-OD1 3.09Å; R183-D256 IonicContact NH2-OD1 3.36Å; R183-D256 PolarHBondContact NH2-OD1 3.06Å; R183-W345 VanDerWaalsContact C-CZ2 3.44Å; R183-W345 VanDerWaalsContact O-CZ2 3.28Å; R183-W345 WeakPolarHBondContact O-CZ2 3.4Å
184	E	98.7	Very high	98.7	Very high	11 Å²	11	15.8 Å²	15.8	5%	0.051	9%	0.091	C	C	.	.			trans	-46.8	118.9	173	-167.4	-80.3	123	0	0	110.1	T186 T187 R188 D256 W345 P346	E184-T186 VanDerWaalsContact C-N 3.28Å; E184-T186 PolarHBondContact O-N 3.25Å; E184-T186 WeakPolarHBondContact OE1-CA 3.5Å; E184-T186 WeakPolarHBondContact OE1-CB 3.36Å; E184-T186 PolarHBondContact OE1-N 2.88Å; E184-T186 PolarHBondContact OE1-OG1 3.03Å; E184-T186 WeakPolarHBondContact OE2-CB 3.37Å; E184-T186 PolarHBondContact OE2-N 2.96Å; E184-T187 WeakPolarHBondContact O-CB 3.43Å; E184-T187 PolarHBondContact O-N 2.74Å; E184-T187 VanDerWaalsContact O-N 3.14Å; E184-T187 VanDerWaalsContact OE2-CB 3.26Å; E184-T187 WeakPolarHBondContact OE2-CB 3.47Å; E184-T187 PolarHBondContact OE2-N 2.91Å; E184-T187 PolarHBondContact OE2-OG1 3.36Å; E184-R188 WeakPolarHBondContact O-CB 3.37Å; E184-R188 PolarHBondContact O-N 3.12Å; E184-D256 PolarHBondContact N-OD2 3.12Å; E184-W345 HydrophobicContact CB-CG 4.15Å; E184-W345 HydrophobicContact CG-CB 4.1Å; E184-W345 HydrophobicContact CG-CG 4.08Å; E184-W345 VanDerWaalsContact N-NE1 3.18Å; E184-P346 HydrophobicContact CG-CG 4.17Å
185	P	98.8	Very high	98.7	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-51	-40	-170.1	-34.1	36	0	0	0	115.2	R183 A189 S232 Y234 F328 N332 W345	R183-P185 WeakPolarHBondContact O-CD 3.4Å; R183-P185 VanDerWaalsContact O-N 3.09Å; P185-A189 WeakPolarHBondContact O-CB 3.33Å; P185-A189 PolarHBondContact O-N 3.34Å; P185-S232 WeakPolarHBondContact O-CB 3.47Å; P185-S232 PolarHBondContact O-OG 2.84Å; P185-Y234 HydrophobicContact CG-CE2 3.92Å; P185-F328 HydrophobicContact CB-CB 3.94Å; P185-F328 HydrophobicContact CB-CD1 3.9Å; P185-F328 HydrophobicContact CB-CD2 3.5Å; P185-F328 HydrophobicContact CB-CE1 4.27Å; P185-F328 HydrophobicContact CB-CE2 3.91Å; P185-F328 HydrophobicContact CB-CG 3.51Å; P185-F328 HydrophobicContact CB-CZ 4.28Å; P185-F328 HydrophobicContact CG-CB 4.2Å; P185-F328 HydrophobicContact CG-CG 4.27Å; P185-N332 VanDerWaalsContact CG-OD1 3.26Å; P185-N332 WeakPolarHBondContact CG-OD1 3.35Å; P185-W345 VanDerWaalsContact CD-CE3 3.47Å; P185-W345 HydrophobicContact CG-CD2 4.39Å; P185-W345 HydrophobicContact CG-CE3 3.83Å; P185-W345 HydrophobicContact CG-CZ3 4.04Å
186	T	98.8	Very high	98.6	Very high	2 Å²	2	14.2 Å²	14.2	1%	0.012	7%	0.071	C	C	.	.	H	α-helix	trans	-69.7	-49.5	179.8	-46.8	0	0	0	0	110.3	E184 R188 A189 I190 I321 L324	E184-T186 VanDerWaalsContact C-N 3.28Å; E184-T186 PolarHBondContact O-N 3.25Å; E184-T186 WeakPolarHBondContact OE1-CA 3.5Å; E184-T186 WeakPolarHBondContact OE1-CB 3.36Å; E184-T186 PolarHBondContact OE1-N 2.88Å; E184-T186 PolarHBondContact OE1-OG1 3.03Å; E184-T186 WeakPolarHBondContact OE2-CB 3.37Å; E184-T186 PolarHBondContact OE2-N 2.96Å; T186-R188 VanDerWaalsContact C-N 3.29Å; T186-R188 PolarHBondContact O-N 3.24Å; T186-A189 WeakPolarHBondContact O-CB 3.07Å; T186-A189 PolarHBondContact O-N 2.84Å; T186-A189 VanDerWaalsContact O-N 3.1Å; T186-I190 HydrophobicContact CG2-CD1 4.19Å; T186-I190 WeakPolarHBondContact O-CG1 3.46Å; T186-I190 PolarHBondContact O-N 3.41Å; T186-I321 HydrophobicContact CG2-CG2 4.37Å; T186-L324 HydrophobicContact CG2-CB 3.84Å; T186-L324 HydrophobicContact CG2-CD1 3.89Å
187	T	98.6	Very high	98.5	Very high	35 Å²	35	15.6 Å²	15.6	22%	0.215	8%	0.078	C	C	.	.	H	α-helix	trans	-58.4	-40.8	175.2	-61.3	0	0	0	0	111.6	E184 I190 S191	E184-T187 WeakPolarHBondContact O-CB 3.43Å; E184-T187 PolarHBondContact O-N 2.74Å; E184-T187 VanDerWaalsContact O-N 3.14Å; E184-T187 VanDerWaalsContact OE2-CB 3.26Å; E184-T187 WeakPolarHBondContact OE2-CB 3.47Å; E184-T187 PolarHBondContact OE2-N 2.91Å; E184-T187 PolarHBondContact OE2-OG1 3.36Å; T187-I190 PolarHBondContact O-N 3.21Å; T187-S191 WeakPolarHBondContact O-CB 3.48Å; T187-S191 PolarHBondContact O-N 3.04Å
188	R	98.8	Very high	98.4	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-63.4	-43.3	175.2	-167.8	-128.8	67.8	82.9	3.9	111.5	R99 K100 E184 T186 S191 D192 A228 S232 Y234	R99-R188 PolarHBondContact O-NH1 3.31Å; K100-R188 HydrophobicContact CB-CG 4.09Å; E184-R188 WeakPolarHBondContact O-CB 3.37Å; E184-R188 PolarHBondContact O-N 3.12Å; T186-R188 VanDerWaalsContact C-N 3.29Å; T186-R188 PolarHBondContact O-N 3.24Å; R188-S191 PolarHBondContact O-N 3.37Å; R188-D192 IonicContact CZ-OD2 2.62Å; R188-D192 IonicContact NH1-OD2 3.58Å; R188-D192 PolarHBondContact NH1-OD2 3.39Å; R188-D192 IonicContact NH2-OD2 4Å; R188-D192 PolarHBondContact NH2-OD2 3.47Å; R188-D192 PolarHBondContact O-N 2.87Å; R188-A228 PolarHBondContact NH2-O 3.27Å; R188-S232 PolarHBondContact NE-OG 3.14Å; R188-S232 PolarHBondContact NH2-OG 3.17Å; R188-Y234 WeakPolarHBondContact CB-OH 3.31Å; R188-Y234 WeakPolarHBondContact CD-OH 3.48Å
189	A	98.8	Very high	98.3	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-63.5	-44.1	177.5	0	0	0	0	0	112	P185 T186 D192 Y193 F210 A228	P185-A189 WeakPolarHBondContact O-CB 3.33Å; P185-A189 PolarHBondContact O-N 3.34Å; T186-A189 WeakPolarHBondContact O-CB 3.07Å; T186-A189 PolarHBondContact O-N 2.84Å; T186-A189 VanDerWaalsContact O-N 3.1Å; A189-D192 WeakPolarHBondContact O-CB 3.4Å; A189-D192 PolarHBondContact O-N 3.43Å; A189-Y193 PolarHBondContact O-N 2.81Å; A189-F210 HydrophobicContact CB-CE2 4.33Å; A189-F210 HydrophobicContact CB-CZ 4.22Å; A189-A228 HydrophobicContact CB-CB 4.21Å
190	I	98.8	Very high	98.2	Very high	15 Å²	15	20.7 Å²	20.7	8%	0.077	11%	0.107	C	C	.	.	H	α-helix	trans	-61.8	-45.6	174.7	-64.4	167.4	0	0	0	110.2	T186 T187 D192 Y193 T194 F210 H313 P314 V316	T186-I190 HydrophobicContact CG2-CD1 4.19Å; T186-I190 WeakPolarHBondContact O-CG1 3.46Å; T186-I190 PolarHBondContact O-N 3.41Å; T187-I190 PolarHBondContact O-N 3.21Å; I190-D192 PolarHBondContact O-N 3.28Å; I190-Y193 WeakPolarHBondContact O-CB 3.08Å; I190-Y193 PolarHBondContact O-N 3.27Å; I190-Y193 VanDerWaalsContact O-N 3.14Å; I190-T194 PolarHBondContact O-N 3.29Å; I190-T194 PolarHBondContact O-OG1 2.8Å; I190-F210 HydrophobicContact CG1-CD1 4.35Å; I190-F210 HydrophobicContact CG1-CE1 3.9Å; I190-F210 HydrophobicContact CG1-CE2 4.19Å; I190-F210 HydrophobicContact CG1-CZ 3.81Å; I190-H313 HydrophobicContact CG2-CB 3.89Å; I190-P314 HydrophobicContact CG2-CG 4.23Å; I190-V316 HydrophobicContact CD1-CB 4.46Å; I190-V316 HydrophobicContact CD1-CG2 3.99Å; I190-V316 HydrophobicContact CG1-CG2 4.17Å; I190-V316 HydrophobicContact CG2-CG2 4.49Å
191	S	98.4	Very high	98	Very high	11 Å²	11	25.6 Å²	25.6	8%	0.077	13%	0.13	C	C	.	.	H	α-helix	trans	-62.7	-28.9	178.3	-161	0	0	0	0	113.5	K100 T187 R188 Q195 H313	K100-S191 VanDerWaalsContact CE-O 3.3Å; K100-S191 WeakPolarHBondContact CE-O 3.04Å; K100-S191 VanDerWaalsContact CE-OG 3.26Å; K100-S191 WeakPolarHBondContact CE-OG 3.36Å; K100-S191 PolarHBondContact NZ-O 2.87Å; T187-S191 WeakPolarHBondContact O-CB 3.48Å; T187-S191 PolarHBondContact O-N 3.04Å; R188-S191 PolarHBondContact O-N 3.37Å; S191-Q195 PolarHBondContact O-N 3.19Å; S191-H313 WeakPolarHBondContact CB-NE2 3.36Å; S191-H313 PolarHBondContact OG-NE2 3.23Å
192	D	98.6	Very high	97.8	Very high	10 Å²	10	33.7 Å²	33.7	5%	0.053	16%	0.16	C	C	.	.	H	α-helix	trans	-71.1	-49.8	174.4	-155.5	-20.5	0	0	0	110.6	R99 K100 R188 A189 I190 T194 Q195 V196 A228	R99-D192 IonicContact CZ-OD1 2.67Å; R99-D192 IonicContact NE-OD1 3.45Å; R99-D192 PolarHBondContact NE-OD1 2.94Å; R99-D192 IonicContact NE-OD2 3.49Å; R99-D192 PolarHBondContact NE-OD2 3.07Å; R99-D192 IonicContact NH2-OD1 3.14Å; R99-D192 PolarHBondContact NH2-OD1 2.82Å; K100-D192 HydrophobicContact CG-CB 3.86Å; R188-D192 IonicContact CZ-OD2 2.62Å; R188-D192 IonicContact NH1-OD2 3.58Å; R188-D192 PolarHBondContact NH1-OD2 3.39Å; R188-D192 IonicContact NH2-OD2 4Å; R188-D192 PolarHBondContact NH2-OD2 3.47Å; R188-D192 PolarHBondContact O-N 2.87Å; A189-D192 WeakPolarHBondContact O-CB 3.4Å; A189-D192 PolarHBondContact O-N 3.43Å; I190-D192 PolarHBondContact O-N 3.28Å; D192-T194 PolarHBondContact O-N 3.47Å; D192-Q195 PolarHBondContact O-N 2.93Å; D192-V196 WeakPolarHBondContact O-CG2 3.44Å; D192-V196 PolarHBondContact O-N 3.3Å; D192-V196 VanDerWaalsContact O-N 3.15Å; D192-A228 HydrophobicContact CB-CB 4.04Å
193	Y	98.6	Very high	97.7	Very high	11 Å²	11	40.7 Å²	40.7	4%	0.043	19%	0.191	C	C	.	.	H	α-helix	trans	-52.6	-52.1	172.6	169.5	-96.4	0	0	0	112	A189 I190 Q195 V196 L197 Y207 Y208 K209 F210 L213 P314	A189-Y193 PolarHBondContact O-N 2.81Å; I190-Y193 WeakPolarHBondContact O-CB 3.08Å; I190-Y193 PolarHBondContact O-N 3.27Å; I190-Y193 VanDerWaalsContact O-N 3.14Å; Y193-Q195 VanDerWaalsContact C-N 3.26Å; Y193-Q195 PolarHBondContact O-N 3.1Å; Y193-V196 CarbonylContact O-C 3.49Å; Y193-V196 WeakPolarHBondContact O-CA 3.42Å; Y193-V196 PolarHBondContact O-N 3.03Å; Y193-L197 HydrophobicContact CE1-CB 4.32Å; Y193-L197 HydrophobicContact CE1-CD2 3.84Å; Y193-L197 WeakPolarHBondContact O-CB 3.48Å; Y193-L197 PolarHBondContact O-N 3Å; Y193-Y207 HydrophobicContact CD2-CD1 4.28Å; Y193-Y207 AromaticContact CD2-CE1 3.77Å; Y193-Y207 HydrophobicContact CD2-CE1 3.77Å; Y193-Y207 AromaticContact CE2-CD1 3.67Å; Y193-Y207 HydrophobicContact CE2-CD1 3.67Å; Y193-Y207 AromaticContact CE2-CE1 3.6Å; Y193-Y207 HydrophobicContact CE2-CE1 3.6Å; Y193-Y208 WeakPolarHBondContact CE2-O 3.44Å; Y193-Y208 PolarHBondContact OH-O 3.46Å; Y193-K209 WeakPolarHBondContact OH-CA 3.26Å; Y193-F210 HydrophobicContact CD1-CB 3.98Å; Y193-F210 HydrophobicContact CD1-CD2 4.19Å; Y193-F210 HydrophobicContact CD1-CG 4.49Å; Y193-F210 HydrophobicContact CD2-CB 4.21Å; Y193-F210 HydrophobicContact CD2-CD2 4.03Å; Y193-F210 HydrophobicContact CE1-CB 4Å; Y193-F210 HydrophobicContact CE2-CB 4.23Å; Y193-F210 HydrophobicContact CG-CB 4.09Å; Y193-F210 AromaticContact CG-CD2 3.67Å; Y193-F210 HydrophobicContact CG-CD2 3.67Å; Y193-F210 HydrophobicContact CG-CG 4.33Å; Y193-L213 HydrophobicContact CD2-CD1 3.87Å; Y193-L213 HydrophobicContact CE2-CD1 3.75Å; Y193-P314 HydrophobicContact CD1-CG 3.91Å; Y193-P314 HydrophobicContact CE1-CG 3.81Å
194	T	98.4	Very high	97.6	Very high	6 Å²	6	46.1 Å²	46.1	4%	0.037	22%	0.223	C	C	.	.	H	α-helix	trans	-55.3	-41.5	-179.7	-51.1	0	0	0	0	111.9	I190 D192 V196 L197 E198 R311 I312 P314	I190-T194 PolarHBondContact O-N 3.29Å; I190-T194 PolarHBondContact O-OG1 2.8Å; D192-T194 PolarHBondContact O-N 3.47Å; T194-V196 VanDerWaalsContact C-N 3.34Å; T194-V196 PolarHBondContact O-N 2.91Å; T194-L197 PolarHBondContact O-N 3.07Å; T194-E198 PolarHBondContact O-N 3.49Å; T194-R311 HydrophobicContact CG2-CB 3.96Å; T194-I312 VanDerWaalsContact CG2-O 3.29Å; T194-I312 WeakPolarHBondContact CG2-O 3.41Å; T194-P314 WeakPolarHBondContact OG1-CD 3.41Å
195	Q	97.8	Very high	97.5	Very high	65 Å²	65	51.5 Å²	51.5	30%	0.304	25%	0.246	S	C	.	.	H	α-helix	trans	-68.1	-35.2	178.4	176.6	175.2	-28.2	0	0	112.4	S191 D192 Y193 G199	S191-Q195 PolarHBondContact O-N 3.19Å; D192-Q195 PolarHBondContact O-N 2.93Å; Y193-Q195 VanDerWaalsContact C-N 3.26Å; Y193-Q195 PolarHBondContact O-N 3.1Å; Q195-G199 PolarHBondContact O-N 2.76Å
196	V	97.8	Very high	97.3	Very high	39 Å²	39	58.1 Å²	58.1	24%	0.236	29%	0.287	C	S	.	.	H	α-helix	trans	-70.6	-43.6	175.6	177.6	0	0	0	0	110.5	D192 Y193 T194 G199 K200 Y207	D192-V196 WeakPolarHBondContact O-CG2 3.44Å; D192-V196 PolarHBondContact O-N 3.3Å; D192-V196 VanDerWaalsContact O-N 3.15Å; Y193-V196 CarbonylContact O-C 3.49Å; Y193-V196 WeakPolarHBondContact O-CA 3.42Å; Y193-V196 PolarHBondContact O-N 3.03Å; T194-V196 VanDerWaalsContact C-N 3.34Å; T194-V196 PolarHBondContact O-N 2.91Å; V196-G199 CarbonylContact O-C 3.59Å; V196-G199 WeakPolarHBondContact O-CA 3.44Å; V196-G199 PolarHBondContact O-N 3.43Å; V196-G199 VanDerWaalsContact O-N 3.12Å; V196-K200 HydrophobicContact CG1-CG 4.45Å; V196-K200 WeakPolarHBondContact O-CG 3.35Å; V196-K200 PolarHBondContact O-N 3.4Å; V196-Y207 HydrophobicContact CB-CE1 4.18Å; V196-Y207 HydrophobicContact CG1-CD1 4.38Å; V196-Y207 HydrophobicContact CG1-CE1 3.66Å; V196-Y207 HydrophobicContact CG1-CE2 4.17Å
197	L	97.3	Very high	97.2	Very high	31 Å²	31	61.5 Å²	61.5	16%	0.162	30%	0.3	C	S	.	.	H	α-helix	trans	-55.5	-57.7	176.9	176.9	62.3	0	0	0	111	Y193 T194 G199 K200 E201 Y207	Y193-L197 HydrophobicContact CE1-CB 4.32Å; Y193-L197 HydrophobicContact CE1-CD2 3.84Å; Y193-L197 WeakPolarHBondContact O-CB 3.48Å; Y193-L197 PolarHBondContact O-N 3Å; T194-L197 PolarHBondContact O-N 3.07Å; L197-G199 PolarHBondContact O-N 3.4Å; L197-G199 VanDerWaalsContact O-N 3.12Å; L197-K200 WeakPolarHBondContact O-CA 3.43Å; L197-K200 WeakPolarHBondContact O-CB 3.47Å; L197-K200 PolarHBondContact O-N 2.63Å; L197-E201 HydrophobicContact CD1-CG 4.2Å; L197-E201 HydrophobicContact CG-CG 4.45Å; L197-E201 WeakPolarHBondContact O-CG 3.26Å; L197-E201 PolarHBondContact O-N 2.92Å; L197-Y207 HydrophobicContact CB-CD1 4.32Å; L197-Y207 HydrophobicContact CD1-CD1 4.29Å
198	E	95.7	Very high	97.2	Very high	57 Å²	57	66.3 Å²	66.3	27%	0.266	32%	0.315	S	S	.	.	H	α-helix	trans	-58	-32.9	176.5	-75	-176.7	-164.2	0	0	112.6	T194 K200 E201 R202 R311	T194-E198 PolarHBondContact O-N 3.49Å; E198-K200 VanDerWaalsContact C-N 3.31Å; E198-E201 WeakPolarHBondContact CA-OE2 3.47Å; E198-R202 WeakPolarHBondContact O-CB 3.49Å; E198-R202 PolarHBondContact O-N 3.42Å; E198-R202 VanDerWaalsContact O-N 3.1Å; E198-R202 PolarHBondContact O-NH2 3.39Å; E198-R311 VanDerWaalsContact CD-CD 3.44Å; E198-R311 WeakPolarHBondContact OE1-CD 3.35Å; E198-R311 WeakPolarHBondContact OE1-CG 3.34Å; E198-R311 IonicContact OE1-NE 3.9Å; E198-R311 PolarHBondContact OE1-NE 2.8Å; E198-R311 VanDerWaalsContact OE1-NE 3.14Å; E198-R311 WeakPolarHBondContact OE2-CD 3.21Å; E198-R311 IonicContact OE2-CZ 3.05Å; E198-R311 IonicContact OE2-NE 2.69Å; E198-R311 PolarHBondContact OE2-NE 3.15Å; E198-R311 IonicContact OE2-NH2 3.71Å; E198-R311 PolarHBondContact OE2-NH2 3.07Å
199	G	96.4	Very high	97.1	Very high	20 Å²	20	73.9 Å²	73.9	21%	0.206	35%	0.348	C	S	.	.	H	α-helix	trans	-65.5	-33.5	175.9	0	0	0	0	0	113.3	Q195 V196 L197 K203	Q195-G199 PolarHBondContact O-N 2.76Å; V196-G199 CarbonylContact O-C 3.59Å; V196-G199 WeakPolarHBondContact O-CA 3.44Å; V196-G199 PolarHBondContact O-N 3.43Å; V196-G199 VanDerWaalsContact O-N 3.12Å; L197-G199 PolarHBondContact O-N 3.4Å; L197-G199 VanDerWaalsContact O-N 3.12Å; G199-K203 WeakPolarHBondContact O-CG 3.33Å
200	K	96.4	Very high	97.1	Very high	77 Å²	77	74 Å²	74	34%	0.335	35%	0.348	S	S	.	.	H	α-helix	trans	-79.5	-44.4	176.3	-68.6	-78.3	-176.3	175	0	111	V196 L197 E198 R202 K203 N204 K205 Y207	V196-K200 HydrophobicContact CG1-CG 4.45Å; V196-K200 WeakPolarHBondContact O-CG 3.35Å; V196-K200 PolarHBondContact O-N 3.4Å; L197-K200 WeakPolarHBondContact O-CA 3.43Å; L197-K200 WeakPolarHBondContact O-CB 3.47Å; L197-K200 PolarHBondContact O-N 2.63Å; E198-K200 VanDerWaalsContact C-N 3.31Å; K200-R202 PolarHBondContact O-N 3.2Å; K200-K203 CarbonylContact O-C 3.53Å; K200-K203 WeakPolarHBondContact O-CA 3.31Å; K200-K203 PolarHBondContact O-N 3.34Å; K200-N204 PolarHBondContact O-N 3.24Å; K200-K205 CarbonylContact C-O 3.37Å; K200-K205 HydrophobicContact CB-CB 4.23Å; K200-K205 HydrophobicContact CD-CB 4.02Å; K200-K205 HydrophobicContact CD-CD 4.49Å; K200-K205 PolarHBondContact O-N 2.99Å; K200-Y207 HydrophobicContact CD-CD2 4.49Å; K200-Y207 HydrophobicContact CG-CD2 4.12Å; K200-Y207 HydrophobicContact CG-CG 4.17Å
201	E	95.3	Very high	97.1	Very high	104 Å²	104	75.4 Å²	75.4	49%	0.486	36%	0.355	S	S	.	.	H	α-helix	trans	-58.8	-45.5	178.2	-70.4	170.9	159.8	0	0	111.8	L197 E198 K203 N204	L197-E201 HydrophobicContact CD1-CG 4.2Å; L197-E201 HydrophobicContact CG-CG 4.45Å; L197-E201 WeakPolarHBondContact O-CG 3.26Å; L197-E201 PolarHBondContact O-N 2.92Å; E198-E201 WeakPolarHBondContact CA-OE2 3.47Å; E201-K203 PolarHBondContact O-N 3.23Å; E201-N204 WeakPolarHBondContact O-CA 3.43Å; E201-N204 PolarHBondContact O-N 3.11Å; E201-N204 PolarHBondContact O-OD1 3.21Å
202	R	95.3	Very high	97.1	Very high	170 Å²	170	81.2 Å²	81.2	64%	0.642	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-20.7	175.2	-161.3	-173.6	-45.3	92.9	15.4	113.8	E198 K200	E198-R202 WeakPolarHBondContact O-CB 3.49Å; E198-R202 PolarHBondContact O-N 3.42Å; E198-R202 VanDerWaalsContact O-N 3.1Å; E198-R202 PolarHBondContact O-NH2 3.39Å; K200-R202 PolarHBondContact O-N 3.2Å
203	K	96.6	Very high	97	Very high	147 Å²	147	82 Å²	82	64%	0.639	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.2	12.5	176.8	-63.8	-176.5	-179.9	-170.8	0	111.9	G199 K200 E201 K205	G199-K203 WeakPolarHBondContact O-CG 3.33Å; K200-K203 CarbonylContact O-C 3.53Å; K200-K203 WeakPolarHBondContact O-CA 3.31Å; K200-K203 PolarHBondContact O-N 3.34Å; E201-K203 PolarHBondContact O-N 3.23Å; K203-K205 HydrophobicContact CB-CG 4.32Å; K203-K205 PolarHBondContact O-N 3.46Å
204	N	96.1	Very high	97	Very high	158 Å²	158	81.5 Å²	81.5	85%	0.845	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.4	40.2	-175	-61.3	-23.9	0	0	0	113	K200 E201	K200-N204 PolarHBondContact O-N 3.24Å; E201-N204 WeakPolarHBondContact O-CA 3.43Å; E201-N204 PolarHBondContact O-N 3.11Å; E201-N204 PolarHBondContact O-OD1 3.21Å
205	K	96.8	Very high	97	Very high	123 Å²	123	82.3 Å²	82.3	54%	0.535	39%	0.385	S	S	.	.			trans	-110.6	140.3	177.2	-65.5	-171.7	179.3	-168.4	0	110.4	K200 K203	K200-K205 CarbonylContact C-O 3.37Å; K200-K205 HydrophobicContact CB-CB 4.23Å; K200-K205 HydrophobicContact CD-CB 4.02Å; K200-K205 HydrophobicContact CD-CD 4.49Å; K200-K205 PolarHBondContact O-N 2.99Å; K203-K205 HydrophobicContact CB-CG 4.32Å; K203-K205 PolarHBondContact O-N 3.46Å
206	T	95.1	Very high	97	Very high	140 Å²	140	81.2 Å²	81.2	86%	0.859	38%	0.381	S	S	*	.			trans	-72.1	153.4	172.7	56.4	0	0	0	0	111.3
207	Y	96.9	Very high	96.8	Very high	72 Å²	72	84.4 Å²	84.4	28%	0.282	40%	0.403	S	S	.	.			trans	-146.5	146.1	174.2	-156.7	-129.2	0	0	0	109.5	Y193 V196 L197 K200 L213	Y193-Y207 HydrophobicContact CD2-CD1 4.28Å; Y193-Y207 AromaticContact CD2-CE1 3.77Å; Y193-Y207 HydrophobicContact CD2-CE1 3.77Å; Y193-Y207 AromaticContact CE2-CD1 3.67Å; Y193-Y207 HydrophobicContact CE2-CD1 3.67Å; Y193-Y207 AromaticContact CE2-CE1 3.6Å; Y193-Y207 HydrophobicContact CE2-CE1 3.6Å; V196-Y207 HydrophobicContact CB-CE1 4.18Å; V196-Y207 HydrophobicContact CG1-CD1 4.38Å; V196-Y207 HydrophobicContact CG1-CE1 3.66Å; V196-Y207 HydrophobicContact CG1-CE2 4.17Å; L197-Y207 HydrophobicContact CB-CD1 4.32Å; L197-Y207 HydrophobicContact CD1-CD1 4.29Å; K200-Y207 HydrophobicContact CD-CD2 4.49Å; K200-Y207 HydrophobicContact CG-CD2 4.12Å; K200-Y207 HydrophobicContact CG-CG 4.17Å; Y207-L213 HydrophobicContact CD1-CD1 4.38Å; Y207-L213 HydrophobicContact CE1-CD1 3.66Å; Y207-L213 HydrophobicContact CE2-CD1 4.4Å
208	Y	97.3	Very high	96.8	Very high	137 Å²	137	90 Å²	90	54%	0.537	43%	0.433	S	S	.	.			trans	-70.8	157	-179.9	-66.7	-57.4	0	0	0	111.5	Y193 K212 L213	Y193-Y208 WeakPolarHBondContact CE2-O 3.44Å; Y193-Y208 PolarHBondContact OH-O 3.46Å; Y208-K212 HydrophobicContact CD1-CD 3.64Å; Y208-K212 HydrophobicContact CE1-CD 4.13Å; Y208-K212 VanDerWaalsContact CE1-NZ 3.31Å; Y208-K212 HydrophobicContact CG-CD 3.95Å; Y208-K212 HydrophobicContact CG-CG 4.42Å; Y208-L213 HydrophobicContact CD2-CD2 4.07Å
209	K	97.8	Very high	96.8	Very high	158 Å²	158	91.4 Å²	91.4	69%	0.687	45%	0.445	S	S	*	.			trans	-59	155.1	167.5	-67.8	-168	173.8	-172.7	0	111	Y193 E211 K212 L213	Y193-K209 WeakPolarHBondContact OH-CA 3.26Å; K209-E211 VanDerWaalsContact C-N 3.29Å; K209-E211 WeakPolarHBondContact CB-OE2 3.49Å; K209-E211 PolarHBondContact O-N 3.21Å; K209-K212 PolarHBondContact O-N 2.92Å; K209-L213 PolarHBondContact O-N 2.87Å
210	F	98.4	Very high	96.7	Very high	2 Å²	2	93.8 Å²	93.8	1%	0.009	46%	0.458	C	S	.	.	H	α-helix	trans	-58.3	-42.2	-176.7	176.6	-104.7	0	0	0	112.1	A189 I190 Y193 K212 L213 A214 Y226 V316 V320 L324	A189-F210 HydrophobicContact CB-CE2 4.33Å; A189-F210 HydrophobicContact CB-CZ 4.22Å; I190-F210 HydrophobicContact CG1-CD1 4.35Å; I190-F210 HydrophobicContact CG1-CE1 3.9Å; I190-F210 HydrophobicContact CG1-CE2 4.19Å; I190-F210 HydrophobicContact CG1-CZ 3.81Å; Y193-F210 HydrophobicContact CD1-CB 3.98Å; Y193-F210 HydrophobicContact CD1-CD2 4.19Å; Y193-F210 HydrophobicContact CD1-CG 4.49Å; Y193-F210 HydrophobicContact CD2-CB 4.21Å; Y193-F210 HydrophobicContact CD2-CD2 4.03Å; Y193-F210 HydrophobicContact CE1-CB 4Å; Y193-F210 HydrophobicContact CE2-CB 4.23Å; Y193-F210 HydrophobicContact CG-CB 4.09Å; Y193-F210 AromaticContact CG-CD2 3.67Å; Y193-F210 HydrophobicContact CG-CD2 3.67Å; Y193-F210 HydrophobicContact CG-CG 4.33Å; F210-K212 VanDerWaalsContact C-N 3.35Å; F210-K212 PolarHBondContact O-N 2.95Å; F210-L213 PolarHBondContact O-N 3.18Å; F210-A214 HydrophobicContact CD1-CB 4.19Å; F210-A214 HydrophobicContact CD2-CB 4.49Å; F210-A214 HydrophobicContact CE1-CB 3.82Å; F210-A214 HydrophobicContact CE2-CB 4.15Å; F210-A214 HydrophobicContact CZ-CB 3.81Å; F210-A214 VanDerWaalsContact O-CB 3.32Å; F210-A214 WeakPolarHBondContact O-CB 3.33Å; F210-A214 PolarHBondContact O-N 2.98Å; F210-Y226 HydrophobicContact CD2-CE1 4.27Å; F210-Y226 HydrophobicContact CE2-CE1 4.02Å; F210-V316 HydrophobicContact CB-CG2 4.28Å; F210-V316 HydrophobicContact CD1-CB 4.44Å; F210-V316 HydrophobicContact CD1-CG1 3.66Å; F210-V316 HydrophobicContact CD1-CG2 3.83Å; F210-V316 HydrophobicContact CE1-CG1 4.11Å; F210-V316 HydrophobicContact CG-CG2 4.28Å; F210-V320 HydrophobicContact CE1-CG1 4.42Å; F210-L324 HydrophobicContact CE1-CD1 3.52Å; F210-L324 HydrophobicContact CZ-CD1 3.76Å
211	E	98.2	Very high	96.8	Very high	45 Å²	45	95.7 Å²	95.7	21%	0.21	47%	0.468	C	S	.	.	H	α-helix	trans	-57.4	-46.3	-179.1	-60.2	84.1	172.4	0	0	111.4	K209 L213 A214 I215 V316 D317 V320	K209-E211 VanDerWaalsContact C-N 3.29Å; K209-E211 WeakPolarHBondContact CB-OE2 3.49Å; K209-E211 PolarHBondContact O-N 3.21Å; E211-L213 PolarHBondContact O-N 3.23Å; E211-A214 PolarHBondContact O-N 3.34Å; E211-I215 WeakPolarHBondContact O-CB 3.33Å; E211-I215 PolarHBondContact O-N 3.29Å; E211-V316 HydrophobicContact CG-CG1 4.4Å; E211-V316 WeakPolarHBondContact OE1-CA 3.42Å; E211-D317 HydrophobicContact CG-CB 4.17Å; E211-D317 PolarHBondContact OE1-N 3.45Å; E211-V320 HydrophobicContact CB-CG2 4.2Å; E211-V320 HydrophobicContact CG-CB 4.24Å; E211-V320 HydrophobicContact CG-CG1 4.28Å; E211-V320 HydrophobicContact CG-CG2 3.76Å
212	K	97.7	Very high	96.9	Very high	133 Å²	133	91.5 Å²	91.5	58%	0.578	45%	0.449	S	S	*	.	H	α-helix	trans	-65.4	-21.6	179.4	-173.4	169.4	-179.8	179.7	0	113.1	Y208 K209 F210	Y208-K212 HydrophobicContact CD1-CD 3.64Å; Y208-K212 HydrophobicContact CE1-CD 4.13Å; Y208-K212 VanDerWaalsContact CE1-NZ 3.31Å; Y208-K212 HydrophobicContact CG-CD 3.95Å; Y208-K212 HydrophobicContact CG-CG 4.42Å; K209-K212 PolarHBondContact O-N 2.92Å; F210-K212 VanDerWaalsContact C-N 3.35Å; F210-K212 PolarHBondContact O-N 2.95Å
213	L	98.2	Very high	97.1	Very high	28 Å²	28	85 Å²	85	15%	0.147	43%	0.427	C	S	.	.	H	α-helix	trans	-92.6	-40.1	176.4	-61.8	175	0	0	0	111.8	Y193 Y207 Y208 K209 F210 E211 N223 Y226	Y193-L213 HydrophobicContact CD2-CD1 3.87Å; Y193-L213 HydrophobicContact CE2-CD1 3.75Å; Y207-L213 HydrophobicContact CD1-CD1 4.38Å; Y207-L213 HydrophobicContact CE1-CD1 3.66Å; Y207-L213 HydrophobicContact CE2-CD1 4.4Å; Y208-L213 HydrophobicContact CD2-CD2 4.07Å; K209-L213 PolarHBondContact O-N 2.87Å; F210-L213 PolarHBondContact O-N 3.18Å; E211-L213 PolarHBondContact O-N 3.23Å; L213-N223 PolarHBondContact O-ND2 3.03Å; L213-Y226 HydrophobicContact CB-CD1 4.08Å; L213-Y226 HydrophobicContact CB-CD2 4.21Å; L213-Y226 HydrophobicContact CB-CE1 3.92Å; L213-Y226 HydrophobicContact CB-CE2 4.1Å; L213-Y226 HydrophobicContact CB-CG 4.24Å; L213-Y226 HydrophobicContact CD1-CE2 4.15Å; L213-Y226 WeakPolarHBondContact O-CB 3.26Å
214	A	98.3	Very high	97.1	Very high	0 Å²	0	81.2 Å²	81.2	0%	0	42%	0.417	C	S	.	.	H	α-helix	trans	-84.6	-20.6	-173	0	0	0	0	0	113.7	F210 E211 N223 Y226 V229 L324	F210-A214 HydrophobicContact CD1-CB 4.19Å; F210-A214 HydrophobicContact CD2-CB 4.49Å; F210-A214 HydrophobicContact CE1-CB 3.82Å; F210-A214 HydrophobicContact CE2-CB 4.15Å; F210-A214 HydrophobicContact CZ-CB 3.81Å; F210-A214 VanDerWaalsContact O-CB 3.32Å; F210-A214 WeakPolarHBondContact O-CB 3.33Å; F210-A214 PolarHBondContact O-N 2.98Å; E211-A214 PolarHBondContact O-N 3.34Å; A214-N223 WeakPolarHBondContact O-CB 3.33Å; A214-N223 PolarHBondContact O-N 3.49Å; A214-Y226 HydrophobicContact CB-CD1 4.24Å; A214-V229 HydrophobicContact CB-CG2 4.3Å; A214-L324 HydrophobicContact CB-CD1 4.44Å
215	I	98.4	Very high	97.2	Very high	22 Å²	22	81.7 Å²	81.7	11%	0.113	41%	0.411	C	S	.	.	B	Isolated β-bridge	trans	-115.7	134.3	178	-55.8	-59.2	0	0	0	109.3	E211 E221 V222 V320	E211-I215 WeakPolarHBondContact O-CB 3.33Å; E211-I215 PolarHBondContact O-N 3.29Å; I215-E221 CarbonylContact C-O 3.6Å; I215-E221 WeakPolarHBondContact CA-O 3.24Å; I215-V222 HydrophobicContact CD1-CG2 4.24Å; I215-V320 HydrophobicContact CD1-CG1 4.12Å; I215-V320 HydrophobicContact CG1-CG1 3.91Å; I215-V320 HydrophobicContact CG1-CG2 4.03Å
216	D	97.1	Very high	97.3	Very high	43 Å²	43	77.1 Å²	77.1	23%	0.23	39%	0.391	C	S	.	.			trans	-75.5	126.7	173.2	179	-76	0	0	0	109.5	N218 T219 C220 E221 N223	D216-N218 VanDerWaalsContact C-N 3.3Å; D216-N218 PolarHBondContact O-N 3.23Å; D216-N218 WeakPolarHBondContact OD1-CB 3.48Å; D216-N218 PolarHBondContact OD1-N 2.98Å; D216-T219 WeakPolarHBondContact CB-OG1 3.42Å; D216-T219 PolarHBondContact OD1-N 3.31Å; D216-T219 PolarHBondContact OD1-OG1 3.16Å; D216-C220 VanDerWaalsContact O-CA 3.22Å; D216-C220 WeakPolarHBondContact O-CA 3.38Å; D216-C220 PolarHBondContact O-N 3.18Å; D216-E221 PolarHBondContact N-O 2.85Å; D216-N223 HydrophobicContact CB-CB 4.49Å
217	P	94.6	Very high	97.4	Very high	106 Å²	106	78.4 Å²	78.4	69%	0.688	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-22.3	-172.4	28.3	-35.4	0	0	0	113.7
218	N	95.4	Very high	97.4	Very high	149 Å²	149	75.1 Å²	75.1	80%	0.797	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	-38.7	-176.5	-61.3	-32.7	0	0	0	111.3	D216	D216-N218 VanDerWaalsContact C-N 3.3Å; D216-N218 PolarHBondContact O-N 3.23Å; D216-N218 WeakPolarHBondContact OD1-CB 3.48Å; D216-N218 PolarHBondContact OD1-N 2.98Å
219	T	96.3	Very high	97.5	Very high	86 Å²	86	68.6 Å²	68.6	53%	0.528	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.3	-16.5	-176.6	57.6	0	0	0	0	113.1	D216 E221	D216-T219 WeakPolarHBondContact CB-OG1 3.42Å; D216-T219 PolarHBondContact OD1-N 3.31Å; D216-T219 PolarHBondContact OD1-OG1 3.16Å; T219-E221 PolarHBondContact O-N 3.03Å; T219-E221 PolarHBondContact OG1-N 2.94Å
220	C	95.4	Very high	97.5	Very high	70 Å²	70	66.3 Å²	66.3	47%	0.473	33%	0.333	S	S	.	.			trans	57.6	19.2	-169.3	-57.6	0	0	0	0	114.1	D216 K323	D216-C220 VanDerWaalsContact O-CA 3.22Å; D216-C220 WeakPolarHBondContact O-CA 3.38Å; D216-C220 PolarHBondContact O-N 3.18Å; C220-K323 PolarHBondContact O-NZ 2.96Å
221	E	97.7	Very high	97.6	Very high	117 Å²	117	66.6 Å²	66.6	55%	0.547	34%	0.336	S	S	.	.	S	Bend	trans	-101.5	168.1	179.5	-71.7	-56.9	138.3	0	0	112.5	I215 D216 T219 N223	I215-E221 CarbonylContact C-O 3.6Å; I215-E221 WeakPolarHBondContact CA-O 3.24Å; D216-E221 PolarHBondContact N-O 2.85Å; T219-E221 PolarHBondContact O-N 3.03Å; T219-E221 PolarHBondContact OG1-N 2.94Å; E221-N223 PolarHBondContact O-N 2.71Å
222	V	98.4	Very high	97.6	Very high	15 Å²	15	64.5 Å²	64.5	9%	0.091	33%	0.326	C	S	.	.	B	Isolated β-bridge	trans	-63.9	124.8	-179.9	174.2	0	0	0	0	111.5	I215 T224 V229 L324 F327	I215-V222 HydrophobicContact CD1-CG2 4.24Å; V222-T224 PolarHBondContact O-N 2.87Å; V222-T224 VanDerWaalsContact O-N 3.13Å; V222-V229 HydrophobicContact CG1-CG1 3.59Å; V222-V229 HydrophobicContact CG1-CG2 4.26Å; V222-L324 HydrophobicContact CB-CD2 4.43Å; V222-L324 HydrophobicContact CG1-CD2 3.71Å; V222-L324 HydrophobicContact CG2-CD2 3.83Å; V222-L324 HydrophobicContact CG2-CG 4.41Å; V222-F327 HydrophobicContact CB-CB 4.2Å; V222-F327 HydrophobicContact CB-CD1 4.3Å; V222-F327 HydrophobicContact CB-CD2 3.88Å; V222-F327 HydrophobicContact CB-CE2 4.36Å; V222-F327 HydrophobicContact CB-CG 3.85Å; V222-F327 HydrophobicContact CG1-CB 4.47Å; V222-F327 HydrophobicContact CG1-CD1 3.72Å; V222-F327 HydrophobicContact CG1-CD2 4.06Å; V222-F327 HydrophobicContact CG1-CE1 3.92Å; V222-F327 HydrophobicContact CG1-CE2 4.24Å; V222-F327 HydrophobicContact CG1-CG 3.8Å; V222-F327 HydrophobicContact CG1-CZ 4.19Å; V222-F327 HydrophobicContact CG2-CB 3.68Å; V222-F327 HydrophobicContact CG2-CD1 4.45Å; V222-F327 HydrophobicContact CG2-CD2 4.29Å; V222-F327 HydrophobicContact CG2-CG 3.88Å
223	N	98.4	Very high	97.6	Very high	34 Å²	34	58.7 Å²	58.7	18%	0.182	30%	0.301	C	S	.	.			trans	-78.9	94.4	179.8	-177.4	1.6	0	0	0	112.1	L213 A214 D216 E221 K225 Y226	L213-N223 PolarHBondContact O-ND2 3.03Å; A214-N223 WeakPolarHBondContact O-CB 3.33Å; A214-N223 PolarHBondContact O-N 3.49Å; D216-N223 HydrophobicContact CB-CB 4.49Å; E221-N223 PolarHBondContact O-N 2.71Å; N223-K225 PolarHBondContact O-N 3.23Å; N223-K225 WeakPolarHBondContact OD1-CA 3.47Å; N223-K225 VanDerWaalsContact OD1-CB 3.28Å; N223-K225 WeakPolarHBondContact OD1-CB 3.32Å; N223-K225 PolarHBondContact OD1-N 3.12Å; N223-Y226 WeakPolarHBondContact O-CB 3.4Å; N223-Y226 PolarHBondContact O-N 3.26Å; N223-Y226 VanDerWaalsContact O-N 3.11Å; N223-Y226 PolarHBondContact OD1-N 2.63Å
224	T	97.3	Very high	97.7	Very high	68 Å²	68	57.5 Å²	57.5	42%	0.417	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-10.2	177.9	65	0	0	0	0	114.5	V222 Y226 R230 F327	V222-T224 PolarHBondContact O-N 2.87Å; V222-T224 VanDerWaalsContact O-N 3.13Å; T224-Y226 VanDerWaalsContact C-N 3.33Å; T224-R230 PolarHBondContact O-NE 2.83Å; T224-F327 HydrophobicContact CG2-CE2 3.81Å; T224-F327 HydrophobicContact CG2-CZ 3.64Å
225	K	97.3	Very high	97.7	Very high	168 Å²	168	57.7 Å²	57.7	73%	0.73	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-23.4	171.6	-58.2	176.2	-178.7	171.2	0	111.4	N223 K227	N223-K225 PolarHBondContact O-N 3.23Å; N223-K225 WeakPolarHBondContact OD1-CA 3.47Å; N223-K225 VanDerWaalsContact OD1-CB 3.28Å; N223-K225 WeakPolarHBondContact OD1-CB 3.32Å; N223-K225 PolarHBondContact OD1-N 3.12Å; K225-K227 PolarHBondContact O-N 3.3Å
226	Y	98.4	Very high	97.6	Very high	27 Å²	27	61.8 Å²	61.8	11%	0.106	31%	0.313	C	S	.	.	S	Bend	trans	-68.6	121.9	177	-177.3	-142.2	0	0	0	111	F210 L213 A214 N223 T224 A228 V229 R230	F210-Y226 HydrophobicContact CD2-CE1 4.27Å; F210-Y226 HydrophobicContact CE2-CE1 4.02Å; L213-Y226 HydrophobicContact CB-CD1 4.08Å; L213-Y226 HydrophobicContact CB-CD2 4.21Å; L213-Y226 HydrophobicContact CB-CE1 3.92Å; L213-Y226 HydrophobicContact CB-CE2 4.1Å; L213-Y226 HydrophobicContact CB-CG 4.24Å; L213-Y226 HydrophobicContact CD1-CE2 4.15Å; L213-Y226 WeakPolarHBondContact O-CB 3.26Å; A214-Y226 HydrophobicContact CB-CD1 4.24Å; N223-Y226 WeakPolarHBondContact O-CB 3.4Å; N223-Y226 PolarHBondContact O-N 3.26Å; N223-Y226 VanDerWaalsContact O-N 3.11Å; N223-Y226 PolarHBondContact OD1-N 2.63Å; T224-Y226 VanDerWaalsContact C-N 3.33Å; Y226-A228 HydrophobicContact CD1-CB 4Å; Y226-A228 HydrophobicContact CE1-CB 3.46Å; Y226-A228 VanDerWaalsContact CE1-CB 3.46Å; Y226-A228 HydrophobicContact CE2-CB 4.24Å; Y226-A228 PolarHBondContact O-N 2.75Å; Y226-A228 VanDerWaalsContact O-N 3.15Å; Y226-V229 HydrophobicContact CD1-CG2 3.95Å; Y226-V229 PolarHBondContact O-N 3.39Å; Y226-R230 PolarHBondContact O-N 2.62Å
227	K	97.7	Very high	97.7	Very high	167 Å²	167	60.2 Å²	60.2	73%	0.726	30%	0.304	S	S	*	.	H	α-helix	trans	-56	-35.7	-173.9	-69.4	-174.3	177.7	-175.6	0	113.1	K225 T231	K225-K227 PolarHBondContact O-N 3.3Å; K227-T231 VanDerWaalsContact O-CB 3.31Å; K227-T231 WeakPolarHBondContact O-CB 3.34Å; K227-T231 PolarHBondContact O-N 2.64Å; K227-T231 PolarHBondContact O-OG1 3.03Å
228	A	98.3	Very high	97.9	Very high	2 Å²	2	55.1 Å²	55.1	2%	0.017	27%	0.271	C	S	.	.	H	α-helix	trans	-68.7	-39.6	179.1	0	0	0	0	0	111.9	R188 A189 D192 Y226 S232	R188-A228 PolarHBondContact NH2-O 3.27Å; A189-A228 HydrophobicContact CB-CB 4.21Å; D192-A228 HydrophobicContact CB-CB 4.04Å; Y226-A228 HydrophobicContact CD1-CB 4Å; Y226-A228 HydrophobicContact CE1-CB 3.46Å; Y226-A228 VanDerWaalsContact CE1-CB 3.46Å; Y226-A228 HydrophobicContact CE2-CB 4.24Å; Y226-A228 PolarHBondContact O-N 2.75Å; Y226-A228 VanDerWaalsContact O-N 3.15Å; A228-S232 PolarHBondContact O-N 2.82Å; A228-S232 PolarHBondContact O-OG 3.38Å
229	V	98.7	Very high	98.1	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-65.4	-50.4	173.5	170.2	0	0	0	0	110	A214 V222 Y226 T231 S232 L324 F327 F328	A214-V229 HydrophobicContact CB-CG2 4.3Å; V222-V229 HydrophobicContact CG1-CG1 3.59Å; V222-V229 HydrophobicContact CG1-CG2 4.26Å; Y226-V229 HydrophobicContact CD1-CG2 3.95Å; Y226-V229 PolarHBondContact O-N 3.39Å; V229-T231 VanDerWaalsContact C-N 3.33Å; V229-T231 PolarHBondContact O-N 3.46Å; V229-S232 WeakPolarHBondContact O-CB 3.07Å; V229-S232 PolarHBondContact O-N 3.03Å; V229-L324 HydrophobicContact CG2-CD2 4.08Å; V229-F327 HydrophobicContact CG1-CE1 3.82Å; V229-F327 HydrophobicContact CG1-CZ 4.35Å; V229-F328 HydrophobicContact CG1-CE1 4.31Å; V229-F328 HydrophobicContact CG1-CZ 4.1Å
230	R	98.4	Very high	98.2	Very high	110 Å²	110	49.7 Å²	49.7	42%	0.415	23%	0.233	S	C	.	.	H	α-helix	trans	-56.6	-44.8	-178.5	-173	-178	-63	-175.4	-2.8	112.9	T224 Y226 S232 I233 H237	T224-R230 PolarHBondContact O-NE 2.83Å; Y226-R230 PolarHBondContact O-N 2.62Å; R230-S232 PolarHBondContact O-N 2.74Å; R230-I233 WeakPolarHBondContact O-CB 3.5Å; R230-I233 PolarHBondContact O-N 2.87Å; R230-I233 VanDerWaalsContact O-N 3.1Å; R230-H237 PolarHBondContact O-NE2 3.49Å
231	T	98.5	Very high	98.3	Very high	9 Å²	9	46.3 Å²	46.3	6%	0.055	21%	0.21	C	C	.	.	H	α-helix	trans	-63.4	-27.4	180	-58.6	0	0	0	0	112.5	V98 I161 K227 V229 I233	V98-T231 HydrophobicContact CG1-CG2 3.63Å; I161-T231 HydrophobicContact CG2-CG2 3.94Å; K227-T231 VanDerWaalsContact O-CB 3.31Å; K227-T231 WeakPolarHBondContact O-CB 3.34Å; K227-T231 PolarHBondContact O-N 2.64Å; K227-T231 PolarHBondContact O-OG1 3.03Å; V229-T231 VanDerWaalsContact C-N 3.33Å; V229-T231 PolarHBondContact O-N 3.46Å; T231-I233 VanDerWaalsContact C-N 3.28Å; T231-I233 PolarHBondContact O-N 3.2Å
232	S	98.8	Very high	98.4	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-7.7	177.7	-68.3	0	0	0	0	113.5	P185 R188 A228 V229 R230 Y234	P185-S232 WeakPolarHBondContact O-CB 3.47Å; P185-S232 PolarHBondContact O-OG 2.84Å; R188-S232 PolarHBondContact NE-OG 3.14Å; R188-S232 PolarHBondContact NH2-OG 3.17Å; A228-S232 PolarHBondContact O-N 2.82Å; A228-S232 PolarHBondContact O-OG 3.38Å; V229-S232 WeakPolarHBondContact O-CB 3.07Å; V229-S232 PolarHBondContact O-N 3.03Å; R230-S232 PolarHBondContact O-N 2.74Å; S232-Y234 PolarHBondContact O-N 2.75Å
233	I	98.7	Very high	98.4	Very high	12 Å²	12	50.7 Å²	50.7	6%	0.062	23%	0.229	C	C	.	.			trans	-82.5	70.8	174.5	-51.2	174.9	0	0	0	108.6	R230 T231 T235 K236 H237 F327 F328 F331	R230-I233 WeakPolarHBondContact O-CB 3.5Å; R230-I233 PolarHBondContact O-N 2.87Å; R230-I233 VanDerWaalsContact O-N 3.1Å; T231-I233 VanDerWaalsContact C-N 3.28Å; T231-I233 PolarHBondContact O-N 3.2Å; I233-T235 VanDerWaalsContact C-N 3.29Å; I233-T235 HydrophobicContact CG2-CG2 4.24Å; I233-T235 PolarHBondContact O-N 3.17Å; I233-K236 HydrophobicContact CB-CB 4.47Å; I233-K236 HydrophobicContact CG2-CB 3.86Å; I233-K236 PolarHBondContact O-N 2.8Å; I233-H237 PolarHBondContact O-CD2 3.15Å; I233-H237 VanDerWaalsContact O-CD2 3.31Å; I233-F327 HydrophobicContact CD1-CE1 4.19Å; I233-F327 HydrophobicContact CD1-CZ 3.98Å; I233-F327 HydrophobicContact CG1-CE1 4.29Å; I233-F328 HydrophobicContact CG1-CE1 4.12Å; I233-F331 HydrophobicContact CG2-CB 4.2Å; I233-F331 HydrophobicContact CG2-CD1 3.61Å; I233-F331 HydrophobicContact CG2-CD2 4.25Å; I233-F331 HydrophobicContact CG2-CE1 3.98Å; I233-F331 HydrophobicContact CG2-CG 3.76Å; I233-F331 HydrophobicContact CG2-CZ 4.44Å
234	Y	98.8	Very high	98.4	Very high	2 Å²	2	52.9 Å²	52.9	1%	0.008	24%	0.235	C	C	.	.	H	α-helix	trans	-57.3	-39.4	-169.6	-54.5	-43.2	0	0	0	113.5	V98 F160 V182 R183 P185 R188 S232 K236 H237 L238 W345	V98-Y234 HydrophobicContact CB-CE1 4.24Å; V98-Y234 HydrophobicContact CG1-CE1 4.1Å; V98-Y234 HydrophobicContact CG2-CD1 4.01Å; V98-Y234 HydrophobicContact CG2-CE1 4.01Å; F160-Y234 HydrophobicContact CE1-CD1 4.29Å; V182-Y234 HydrophobicContact CB-CD2 4.22Å; V182-Y234 HydrophobicContact CB-CE2 3.89Å; V182-Y234 HydrophobicContact CG1-CD1 4.2Å; V182-Y234 HydrophobicContact CG1-CD2 3.96Å; V182-Y234 HydrophobicContact CG1-CE1 4.25Å; V182-Y234 HydrophobicContact CG1-CE2 4.02Å; V182-Y234 HydrophobicContact CG1-CG 4.04Å; R183-Y234 WeakPolarHBondContact O-CE2 3.5Å; R183-Y234 PolarHBondContact O-OH 2.95Å; P185-Y234 HydrophobicContact CG-CE2 3.92Å; R188-Y234 WeakPolarHBondContact CB-OH 3.31Å; R188-Y234 WeakPolarHBondContact CD-OH 3.48Å; S232-Y234 PolarHBondContact O-N 2.75Å; Y234-K236 VanDerWaalsContact C-N 3.32Å; Y234-K236 PolarHBondContact O-N 3.38Å; Y234-H237 PolarHBondContact O-N 2.85Å; Y234-H237 VanDerWaalsContact O-N 3.11Å; Y234-L238 PolarHBondContact O-N 3.09Å; Y234-W345 AromaticContact CD2-CH2 3.55Å; Y234-W345 HydrophobicContact CD2-CH2 3.55Å; Y234-W345 AromaticContact CD2-CZ3 3.73Å; Y234-W345 HydrophobicContact CD2-CZ3 3.73Å; Y234-W345 AromaticContact CE2-CH2 3.32Å; Y234-W345 HydrophobicContact CE2-CH2 3.32Å; Y234-W345 HydrophobicContact CE2-CZ2 4.07Å; Y234-W345 AromaticContact CE2-CZ3 3.7Å; Y234-W345 HydrophobicContact CE2-CZ3 3.7Å
235	T	98.4	Very high	98.5	Very high	4 Å²	4	49.8 Å²	49.8	3%	0.025	22%	0.216	C	C	.	.	H	α-helix	trans	-56.7	-43.3	-179.9	-170.1	0	0	0	0	112.3	I233 H237 L238 E239 F331 K334 I338	I233-T235 VanDerWaalsContact C-N 3.29Å; I233-T235 HydrophobicContact CG2-CG2 4.24Å; I233-T235 PolarHBondContact O-N 3.17Å; T235-H237 PolarHBondContact O-N 3.04Å; T235-L238 PolarHBondContact O-N 3.04Å; T235-E239 WeakPolarHBondContact O-CG 3.32Å; T235-E239 PolarHBondContact O-N 2.71Å; T235-F331 HydrophobicContact CG2-CB 3.91Å; T235-F331 HydrophobicContact CG2-CD1 3.76Å; T235-F331 HydrophobicContact CG2-CG 4.31Å; T235-K334 HydrophobicContact CG2-CD 4.42Å; T235-K334 WeakPolarHBondContact OG1-CG 3.47Å; T235-I338 WeakPolarHBondContact OG1-CD1 3.42Å
236	K	97.9	Very high	98.6	Very high	109 Å²	109	44.7 Å²	44.7	47%	0.474	20%	0.2	S	C	.	.	H	α-helix	trans	-61	-35	179.4	178.7	176.5	-178.8	172.4	0	112.4	I233 Y234 R240	I233-K236 HydrophobicContact CB-CB 4.47Å; I233-K236 HydrophobicContact CG2-CB 3.86Å; I233-K236 PolarHBondContact O-N 2.8Å; Y234-K236 VanDerWaalsContact C-N 3.32Å; Y234-K236 PolarHBondContact O-N 3.38Å; K236-R240 PolarHBondContact O-NH1 2.86Å
237	H	98.8	Very high	98.6	Very high	9 Å²	9	46 Å²	46	4%	0.042	21%	0.208	C	C	.	.	H	α-helix	trans	-76.7	-50.4	177.9	-64.9	-65.8	0	0	0	110.1	F160 R230 I233 Y234 T235 E239 R240 W241	F160-H237 HydrophobicContact CD1-CB 3.76Å; F160-H237 HydrophobicContact CD2-CB 4.49Å; F160-H237 HydrophobicContact CE1-CB 3.28Å; F160-H237 AromaticContact CE1-CG 3.85Å; F160-H237 HydrophobicContact CE2-CB 4.06Å; F160-H237 HydrophobicContact CG-CB 4.36Å; F160-H237 HydrophobicContact CZ-CB 3.46Å; F160-H237 VanDerWaalsContact CZ-CB 3.46Å; R230-H237 PolarHBondContact O-NE2 3.49Å; I233-H237 PolarHBondContact O-CD2 3.15Å; I233-H237 VanDerWaalsContact O-CD2 3.31Å; Y234-H237 PolarHBondContact O-N 2.85Å; Y234-H237 VanDerWaalsContact O-N 3.11Å; T235-H237 PolarHBondContact O-N 3.04Å; H237-E239 VanDerWaalsContact C-N 3.29Å; H237-E239 PolarHBondContact O-N 2.69Å; H237-R240 PolarHBondContact ND1-NH1 3.33Å; H237-R240 VanDerWaalsContact ND1-NH1 3.11Å; H237-R240 PolarHBondContact ND1-NH2 2.95Å; H237-R240 WeakPolarHBondContact O-CB 3.39Å; H237-R240 PolarHBondContact O-N 3.39Å; H237-W241 VanDerWaalsContact O-CD1 3.29Å; H237-W241 PolarHBondContact O-N 3.29Å
238	L	98.8	Very high	98.6	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-56.1	-41.3	179.8	-176.8	59.4	0	0	0	112.5	I180 Y234 T235 R240 W241 L242 F250 F335 I338 T339	I180-L238 HydrophobicContact CD1-CD1 3.94Å; Y234-L238 PolarHBondContact O-N 3.09Å; T235-L238 PolarHBondContact O-N 3.04Å; L238-R240 PolarHBondContact O-N 2.76Å; L238-W241 WeakPolarHBondContact O-CA 3.16Å; L238-W241 WeakPolarHBondContact O-CB 3.5Å; L238-W241 PolarHBondContact O-N 2.83Å; L238-L242 HydrophobicContact CD1-CD1 4.5Å; L238-L242 HydrophobicContact CD1-CG 4.23Å; L238-L242 HydrophobicContact CG-CD1 3.96Å; L238-L242 HydrophobicContact CG-CG 4.17Å; L238-L242 WeakPolarHBondContact O-CG 3.33Å; L238-L242 PolarHBondContact O-N 3.13Å; L238-F250 HydrophobicContact CD1-CD1 4.29Å; L238-F250 HydrophobicContact CD1-CE1 4.35Å; L238-F335 HydrophobicContact CB-CE2 4.42Å; L238-F335 HydrophobicContact CD2-CD2 3.96Å; L238-F335 HydrophobicContact CD2-CE2 3.72Å; L238-I338 HydrophobicContact CD2-CB 4.39Å; L238-I338 HydrophobicContact CD2-CG2 3.56Å; L238-I338 HydrophobicContact CG-CG2 4.26Å; L238-T339 HydrophobicContact CD2-CG2 3.58Å
239	E	98.6	Very high	98.6	Very high	78 Å²	78	46.4 Å²	46.4	36%	0.364	21%	0.212	S	C	.	.	H	α-helix	trans	-56.8	-32.7	176	-76.3	-179.1	154.9	0	0	113.6	T235 H237 K334 I338	T235-E239 WeakPolarHBondContact O-CG 3.32Å; T235-E239 PolarHBondContact O-N 2.71Å; H237-E239 VanDerWaalsContact C-N 3.29Å; H237-E239 PolarHBondContact O-N 2.69Å; E239-K334 WeakPolarHBondContact OE1-CE 3.41Å; E239-K334 IonicContact OE1-NZ 3.83Å; E239-K334 PolarHBondContact OE1-NZ 3.43Å; E239-I338 HydrophobicContact CG-CD1 4.3Å
240	R	98.6	Very high	98.7	Very high	42 Å²	42	47.1 Å²	47.1	16%	0.158	22%	0.215	C	C	.	.	H	α-helix	trans	-71.9	-38.4	175	-62	-165.4	-53.4	-86.8	6.1	111.9	I161 K236 H237 L238 L242 K243	I161-R240 PolarHBondContact O-NH2 3.01Å; K236-R240 PolarHBondContact O-NH1 2.86Å; H237-R240 PolarHBondContact ND1-NH1 3.33Å; H237-R240 VanDerWaalsContact ND1-NH1 3.11Å; H237-R240 PolarHBondContact ND1-NH2 2.95Å; H237-R240 WeakPolarHBondContact O-CB 3.39Å; H237-R240 PolarHBondContact O-N 3.39Å; L238-R240 PolarHBondContact O-N 2.76Å; R240-L242 VanDerWaalsContact C-N 3.32Å; R240-K243 WeakPolarHBondContact O-CB 3.32Å; R240-K243 PolarHBondContact O-N 2.93Å
241	W	98.9	Very high	98.7	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-66	-37.7	176.6	-77.2	85.5	0	0	0	111.7	I96 Y159 F160 V165 P166 I169 L178 H237 L238 K243 Y244 F245 F250	I96-W241 HydrophobicContact CB-CH2 3.79Å; I96-W241 HydrophobicContact CB-CZ2 3.98Å; I96-W241 HydrophobicContact CD1-CD2 3.72Å; I96-W241 HydrophobicContact CD1-CE3 3.71Å; I96-W241 HydrophobicContact CD1-CH2 3.57Å; I96-W241 HydrophobicContact CD1-CZ2 3.59Å; I96-W241 HydrophobicContact CD1-CZ3 3.63Å; I96-W241 HydrophobicContact CG1-CH2 4.28Å; I96-W241 HydrophobicContact CG1-CZ2 4.33Å; I96-W241 HydrophobicContact CG2-CH2 3.49Å; I96-W241 VanDerWaalsContact CG2-CH2 3.49Å; I96-W241 HydrophobicContact CG2-CZ2 4.2Å; I96-W241 HydrophobicContact CG2-CZ3 3.99Å; Y159-W241 WeakPolarHBondContact O-CZ2 3.27Å; F160-W241 AromaticContact CD2-NE1 3.79Å; F160-W241 PolarHBondContact O-NE1 3.44Å; V165-W241 HydrophobicContact CG1-CH2 3.86Å; V165-W241 HydrophobicContact CG1-CZ2 4.05Å; P166-W241 HydrophobicContact CB-CD2 4.21Å; P166-W241 HydrophobicContact CB-CE3 4.21Å; P166-W241 HydrophobicContact CG-CD2 3.78Å; P166-W241 HydrophobicContact CG-CE3 4.22Å; P166-W241 HydrophobicContact CG-CG 4.02Å; P166-W241 HydrophobicContact CG-CZ2 4.27Å; I169-W241 HydrophobicContact CD1-CH2 3.69Å; I169-W241 HydrophobicContact CD1-CZ3 4.01Å; L178-W241 HydrophobicContact CD1-CE3 3.69Å; L178-W241 HydrophobicContact CD1-CZ3 3.7Å; L178-W241 HydrophobicContact CD2-CZ3 4.15Å; H237-W241 VanDerWaalsContact O-CD1 3.29Å; H237-W241 PolarHBondContact O-N 3.29Å; L238-W241 WeakPolarHBondContact O-CA 3.16Å; L238-W241 WeakPolarHBondContact O-CB 3.5Å; L238-W241 PolarHBondContact O-N 2.83Å; W241-K243 PolarHBondContact O-N 3.12Å; W241-Y244 PolarHBondContact O-N 2.04Å; W241-F245 HydrophobicContact CE3-CD2 4.05Å; W241-F245 HydrophobicContact CE3-CE2 4.1Å; W241-F245 HydrophobicContact CZ3-CE2 4.18Å; W241-F245 PolarHBondContact O-N 2.81Å; W241-F250 HydrophobicContact CB-CE1 3.93Å; W241-F250 HydrophobicContact CB-CZ 3.7Å; W241-F250 HydrophobicContact CD2-CE1 4.34Å; W241-F250 HydrophobicContact CE3-CE1 4.04Å; W241-F250 HydrophobicContact CE3-CZ 4.22Å; W241-F250 HydrophobicContact CG-CE1 4.34Å; W241-F250 HydrophobicContact CG-CZ 4.49Å
242	L	98.8	Very high	98.7	Very high	57 Å²	57	43.3 Å²	43.3	30%	0.298	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-11.7	178.4	-68.7	174.6	0	0	0	114.4	L238 R240 Y244 F245 I247 F250 I338	L238-L242 HydrophobicContact CD1-CD1 4.5Å; L238-L242 HydrophobicContact CD1-CG 4.23Å; L238-L242 HydrophobicContact CG-CD1 3.96Å; L238-L242 HydrophobicContact CG-CG 4.17Å; L238-L242 WeakPolarHBondContact O-CG 3.33Å; L238-L242 PolarHBondContact O-N 3.13Å; R240-L242 VanDerWaalsContact C-N 3.32Å; L242-Y244 PolarHBondContact O-N 3.34Å; L242-F245 WeakPolarHBondContact CA-O 3.29Å; L242-I247 HydrophobicContact CD2-CB 4.02Å; L242-I247 HydrophobicContact CD2-CD1 4.02Å; L242-F250 HydrophobicContact CD2-CD2 4.26Å; L242-F250 HydrophobicContact CD2-CE2 3.95Å; L242-I338 HydrophobicContact CD1-CG2 3.49Å; L242-I338 VanDerWaalsContact CD1-CG2 3.49Å
243	K	98.8	Very high	98.7	Very high	166 Å²	166	43.3 Å²	43.3	72%	0.722	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-21.2	169.4	-61.8	-178.3	-178.9	-173.8	0	113	R240 W241	R240-K243 WeakPolarHBondContact O-CB 3.32Å; R240-K243 PolarHBondContact O-N 2.93Å; W241-K243 PolarHBondContact O-N 3.12Å
244	Y	98.9	Very high	98.7	Very high	81 Å²	81	43.4 Å²	43.4	32%	0.318	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-117.1	-35.6	-174.9	-65.8	-87.2	0	0	0	112.7	P166 E167 Y170 W241 L242	P166-Y244 HydrophobicContact CB-CD2 3.56Å; P166-Y244 HydrophobicContact CB-CE2 4.04Å; P166-Y244 HydrophobicContact CB-CG 4.22Å; E167-Y244 HydrophobicContact CB-CD1 4.3Å; E167-Y244 HydrophobicContact CB-CE1 3.56Å; E167-Y244 HydrophobicContact CB-CE2 4.3Å; E167-Y244 HydrophobicContact CG-CE1 3.67Å; E167-Y244 PolarHBondContact OE2-OH 3.11Å; Y170-Y244 HydrophobicContact CD1-CD1 4.34Å; Y170-Y244 WeakPolarHBondContact CD2-O 3.44Å; Y170-Y244 WeakPolarHBondContact CE2-O 3.48Å; Y170-Y244 HydrophobicContact CG-CD1 4.1Å; W241-Y244 PolarHBondContact O-N 2.04Å; L242-Y244 PolarHBondContact O-N 3.34Å
245	F	98.9	Very high	98.7	Very high	2 Å²	2	43.3 Å²	43.3	1%	0.009	20%	0.203	C	C	.	.	S	Bend	trans	-121.1	138.2	-175	-60.5	-80.2	0	0	0	110.8	P166 I169 Y170 I176 L178 W241 L242 F250	P166-F245 WeakPolarHBondContact O-CE2 3.1Å; I169-F245 HydrophobicContact CB-CE2 4.49Å; I169-F245 HydrophobicContact CB-CZ 4.1Å; I169-F245 HydrophobicContact CG2-CE2 4.42Å; I169-F245 HydrophobicContact CG2-CZ 3.74Å; Y170-F245 HydrophobicContact CD2-CD1 4.19Å; Y170-F245 AromaticContact CD2-CE1 3.9Å; Y170-F245 HydrophobicContact CD2-CE1 3.9Å; Y170-F245 HydrophobicContact CD2-CZ 4.18Å; Y170-F245 HydrophobicContact CG-CZ 4.46Å; I176-F245 HydrophobicContact CG2-CE1 3.82Å; I176-F245 HydrophobicContact CG2-CZ 4.22Å; L178-F245 HydrophobicContact CD1-CB 4.3Å; L178-F245 HydrophobicContact CD1-CD1 4.23Å; L178-F245 HydrophobicContact CD1-CD2 3.71Å; L178-F245 HydrophobicContact CD1-CE1 4.5Å; L178-F245 HydrophobicContact CD1-CE2 4.01Å; L178-F245 HydrophobicContact CD1-CG 3.82Å; L178-F245 HydrophobicContact CD1-CZ 4.38Å; W241-F245 HydrophobicContact CE3-CD2 4.05Å; W241-F245 HydrophobicContact CE3-CE2 4.1Å; W241-F245 HydrophobicContact CZ3-CE2 4.18Å; W241-F245 PolarHBondContact O-N 2.81Å; L242-F245 WeakPolarHBondContact CA-O 3.29Å; F245-F250 HydrophobicContact CB-CE2 3.45Å; F245-F250 VanDerWaalsContact CB-CE2 3.45Å; F245-F250 HydrophobicContact CB-CZ 3.62Å; F245-F250 HydrophobicContact CD2-CZ 4.28Å; F245-F250 HydrophobicContact CG-CZ 4.29Å
246	P	98.6	Very high	98.7	Very high	62 Å²	62	45 Å²	45	40%	0.403	21%	0.212	S	C	.	.			trans	-70.7	153	175.1	35.8	-39.1	0	0	0	110.3	E248 Q249 F250	P246-E248 WeakPolarHBondContact CB-OE2 3.08Å; P246-E248 PolarHBondContact O-N 2.85Å; P246-E248 VanDerWaalsContact O-N 3.15Å; P246-Q249 VanDerWaalsContact CD-OE1 3.24Å; P246-Q249 HydrophobicContact CG-CB 4.4Å; P246-Q249 HydrophobicContact CG-CG 4.01Å; P246-Q249 VanDerWaalsContact CG-OE1 3.26Å; P246-Q249 PolarHBondContact O-N 2.86Å; P246-F250 VanDerWaalsContact O-CD2 3.3Å; P246-F250 WeakPolarHBondContact O-CD2 3.12Å; P246-F250 WeakPolarHBondContact O-CE2 3.3Å
247	I	98.5	Very high	98.7	Very high	53 Å²	53	43.8 Å²	43.8	27%	0.272	20%	0.204	S	C	.	.	G	3₁₀ helix	trans	-61	-28.5	-172.4	-174.4	61.6	0	0	0	112.4	L242 Q249 F250 I338	L242-I247 HydrophobicContact CD2-CB 4.02Å; L242-I247 HydrophobicContact CD2-CD1 4.02Å; I247-Q249 PolarHBondContact O-N 2.92Å; I247-F250 HydrophobicContact CD1-CB 4.43Å; I247-F250 HydrophobicContact CD1-CD2 4.47Å; I247-F250 WeakPolarHBondContact O-CB 3.4Å; I247-F250 PolarHBondContact O-N 3.16Å; I247-I338 HydrophobicContact CD1-CG2 4.32Å
248	E	98.5	Very high	98.7	Very high	141 Å²	141	43.7 Å²	43.7	66%	0.659	20%	0.204	S	C	*	.	G	3₁₀ helix	trans	-65.9	-20.7	179.1	-58.8	73.8	-162.3	0	0	112.7	P246 F250	P246-E248 WeakPolarHBondContact CB-OE2 3.08Å; P246-E248 PolarHBondContact O-N 2.85Å; P246-E248 VanDerWaalsContact O-N 3.15Å; E248-F250 VanDerWaalsContact C-N 3.28Å
249	Q	98.8	Very high	98.6	Very high	37 Å²	37	46 Å²	46	17%	0.173	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-84.4	-1.2	173.1	-77.1	-179.6	-126.9	0	0	113.1	S174 I176 L178 P246 I247 F272	S174-Q249 PolarHBondContact O-NE2 2.88Å; S174-Q249 PolarHBondContact O-OE1 3.22Å; I176-Q249 PolarHBondContact O-NE2 2.91Å; L178-Q249 PolarHBondContact N-O 3Å; P246-Q249 VanDerWaalsContact CD-OE1 3.24Å; P246-Q249 HydrophobicContact CG-CB 4.4Å; P246-Q249 HydrophobicContact CG-CG 4.01Å; P246-Q249 VanDerWaalsContact CG-OE1 3.26Å; P246-Q249 PolarHBondContact O-N 2.86Å; I247-Q249 PolarHBondContact O-N 2.92Å; Q249-F272 WeakPolarHBondContact O-CZ 3.04Å
250	F	98.9	Very high	98.5	Very high	15 Å²	15	46.5 Å²	46.5	7%	0.066	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	142.8	174	-62.7	-93.9	0	0	0	111.2	I96 L178 I180 L238 W241 L242 F245 P246 I247 E248	I96-F250 HydrophobicContact CD1-CE1 4.14Å; L178-F250 HydrophobicContact CB-CD1 3.71Å; L178-F250 HydrophobicContact CB-CE1 3.85Å; L178-F250 HydrophobicContact CB-CG 4.41Å; L178-F250 HydrophobicContact CD1-CD1 4.08Å; L178-F250 HydrophobicContact CD1-CE1 3.37Å; L178-F250 HydrophobicContact CD1-CE2 4.35Å; L178-F250 HydrophobicContact CD1-CZ 3.51Å; L178-F250 HydrophobicContact CG-CE1 4.26Å; L178-F250 CarbonylContact O-C 3.59Å; L178-F250 WeakPolarHBondContact O-CA 3.45Å; I180-F250 HydrophobicContact CD1-CD1 3.61Å; I180-F250 HydrophobicContact CD1-CE1 4.21Å; I180-F250 HydrophobicContact CG1-CD1 4.24Å; L238-F250 HydrophobicContact CD1-CD1 4.29Å; L238-F250 HydrophobicContact CD1-CE1 4.35Å; W241-F250 HydrophobicContact CB-CE1 3.93Å; W241-F250 HydrophobicContact CB-CZ 3.7Å; W241-F250 HydrophobicContact CD2-CE1 4.34Å; W241-F250 HydrophobicContact CE3-CE1 4.04Å; W241-F250 HydrophobicContact CE3-CZ 4.22Å; W241-F250 HydrophobicContact CG-CE1 4.34Å; W241-F250 HydrophobicContact CG-CZ 4.49Å; L242-F250 HydrophobicContact CD2-CD2 4.26Å; L242-F250 HydrophobicContact CD2-CE2 3.95Å; F245-F250 HydrophobicContact CB-CE2 3.45Å; F245-F250 VanDerWaalsContact CB-CE2 3.45Å; F245-F250 HydrophobicContact CB-CZ 3.62Å; F245-F250 HydrophobicContact CD2-CZ 4.28Å; F245-F250 HydrophobicContact CG-CZ 4.29Å; P246-F250 VanDerWaalsContact O-CD2 3.3Å; P246-F250 WeakPolarHBondContact O-CD2 3.12Å; P246-F250 WeakPolarHBondContact O-CE2 3.3Å; I247-F250 HydrophobicContact CD1-CB 4.43Å; I247-F250 HydrophobicContact CD1-CD2 4.47Å; I247-F250 WeakPolarHBondContact O-CB 3.4Å; I247-F250 PolarHBondContact O-N 3.16Å; E248-F250 VanDerWaalsContact C-N 3.28Å
251	H	98.9	Very high	98.4	Very high	29 Å²	29	49.4 Å²	49.4	13%	0.134	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	119.8	163.4	-179.3	75.6	0	0	0	110.3	L178 L179 I180 F272	L178-H251 PolarHBondContact O-N 3.36Å; L179-H251 HydrophobicContact CD2-CB 3.86Å; I180-H251 PolarHBondContact N-O 3.47Å; H251-F272 HydrophobicContact CB-CB 4.08Å; H251-F272 HydrophobicContact CB-CD1 3.35Å; H251-F272 HydrophobicContact CB-CD2 3.63Å; H251-F272 HydrophobicContact CB-CE1 3.5Å; H251-F272 HydrophobicContact CB-CE2 3.78Å; H251-F272 HydrophobicContact CB-CG 3.39Å; H251-F272 HydrophobicContact CB-CZ 3.72Å; H251-F272 AromaticContact CG-CG 3.81Å
252	V	98.9	Very high	98.4	Very high	11 Å²	11	49.5 Å²	49.5	7%	0.067	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	114.5	177.8	-178.6	0	0	0	0	108.6	I180 V182 F335 T339 R341 L343	I180-V252 CarbonylContact O-C 3.53Å; I180-V252 VanDerWaalsContact O-CA 3.28Å; I180-V252 WeakPolarHBondContact O-CA 3.18Å; V182-V252 HydrophobicContact CG2-CG1 3.62Å; V252-F335 HydrophobicContact CG1-CE1 4Å; V252-F335 HydrophobicContact CG1-CZ 3.98Å; V252-F335 HydrophobicContact CG2-CZ 4.12Å; V252-T339 HydrophobicContact CG2-CG2 3.7Å; V252-R341 PolarHBondContact O-NH1 3.44Å; V252-L343 HydrophobicContact CG1-CD1 4.44Å
253	V	98.9	Very high	98.4	Very high	0 Å²	0	48 Å²	48	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	130.4	173.3	-178.6	0	0	0	0	108.8	L106 L179 I180 I181 V182 G255 E265 V269	L106-V253 HydrophobicContact CD1-CG1 4.39Å; L106-V253 HydrophobicContact CD1-CG2 4.33Å; L106-V253 HydrophobicContact CD2-CB 4.42Å; L106-V253 HydrophobicContact CD2-CG2 3.93Å; L179-V253 HydrophobicContact CD2-CG2 4.36Å; I180-V253 PolarHBondContact O-N 2.93Å; I181-V253 WeakPolarHBondContact CA-O 3.27Å; I181-V253 HydrophobicContact CB-CB 3.99Å; I181-V253 HydrophobicContact CB-CG1 4.43Å; I181-V253 HydrophobicContact CD1-CG1 4.03Å; I181-V253 HydrophobicContact CG1-CB 4.16Å; I181-V253 HydrophobicContact CG1-CG1 4.14Å; V182-V253 PolarHBondContact N-O 3.1Å; V182-V253 VanDerWaalsContact N-O 3.12Å; V253-G255 PolarHBondContact O-N 3.04Å; V253-E265 HydrophobicContact CG1-CB 4.29Å; V253-V269 HydrophobicContact CG2-CG2 3.55Å
254	D	98.8	Very high	98.4	Very high	13 Å²	13	42.5 Å²	42.5	7%	0.07	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	105.4	172.1	-176.9	-20.6	0	0	0	109.1	D256 R257 L258 E265 L343	D254-D256 VanDerWaalsContact C-N 3.32Å; D254-D256 PolarHBondContact OD1-N 3.5Å; D254-R257 HydrophobicContact CB-CB 3.91Å; D254-R257 HydrophobicContact CB-CG 4.42Å; D254-R257 PolarHBondContact OD1-N 3.28Å; D254-R257 WeakPolarHBondContact OD2-CG 3.35Å; D254-L258 WeakPolarHBondContact O-CB 3.47Å; D254-L258 PolarHBondContact O-N 3.17Å; D254-E265 PolarHBondContact N-OE2 2.94Å; D254-L343 HydrophobicContact CB-CD2 3.77Å
255	G	98.6	Very high	98.3	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.01	20%	0.2	C	C	.	.	H	α-helix	trans	-74.6	-20.4	-178.6	0	0	0	0	0	113.9	V182 V253 I259	V182-G255 VanDerWaalsContact O-CA 3.24Å; V182-G255 WeakPolarHBondContact O-CA 3.46Å; V182-G255 PolarHBondContact O-N 3.27Å; V253-G255 PolarHBondContact O-N 3.04Å; G255-I259 WeakPolarHBondContact O-CD1 3.47Å; G255-I259 WeakPolarHBondContact O-CG1 3.33Å; G255-I259 PolarHBondContact O-N 3.31Å
256	D	98.4	Very high	98.3	Very high	39 Å²	39	38.8 Å²	38.8	21%	0.209	20%	0.199	C	C	.	.	H	α-helix	trans	-76.4	-42.4	173.8	-62.8	-44.9	0	0	0	109.3	R183 E184 D254 I259 T260 W345	R183-D256 WeakPolarHBondContact CA-OD2 3.43Å; R183-D256 WeakPolarHBondContact CB-OD1 3.42Å; R183-D256 IonicContact CZ-OD1 3.88Å; R183-D256 IonicContact NE-OD1 3.69Å; R183-D256 PolarHBondContact NE-OD1 3.09Å; R183-D256 IonicContact NH2-OD1 3.36Å; R183-D256 PolarHBondContact NH2-OD1 3.06Å; E184-D256 PolarHBondContact N-OD2 3.12Å; D254-D256 VanDerWaalsContact C-N 3.32Å; D254-D256 PolarHBondContact OD1-N 3.5Å; D256-I259 WeakPolarHBondContact O-CB 3.33Å; D256-I259 PolarHBondContact O-N 2.96Å; D256-T260 PolarHBondContact O-N 3.36Å; D256-T260 PolarHBondContact O-OG1 3.22Å; D256-W345 PolarHBondContact OD2-NE1 3.43Å; D256-W345 VanDerWaalsContact OD2-NE1 3.13Å
257	R	98.2	Very high	98.3	Very high	84 Å²	84	40.1 Å²	40.1	32%	0.317	20%	0.2	S	C	.	.	H	α-helix	trans	-64	-36.8	168.1	-84.2	-152.7	54.4	123.8	14.2	113.9	D254 I259 T260 E261 E265	D254-R257 HydrophobicContact CB-CB 3.91Å; D254-R257 HydrophobicContact CB-CG 4.42Å; D254-R257 PolarHBondContact OD1-N 3.28Å; D254-R257 WeakPolarHBondContact OD2-CG 3.35Å; R257-I259 PolarHBondContact O-N 3.37Å; R257-T260 PolarHBondContact O-N 3.37Å; R257-T260 PolarHBondContact O-OG1 3.15Å; R257-E261 IonicContact CZ-OE2 3.46Å; R257-E261 IonicContact NH1-OE2 3.6Å; R257-E261 VanDerWaalsContact NH2-CB 3.26Å; R257-E261 IonicContact NH2-OE2 3.24Å; R257-E261 PolarHBondContact NH2-OE2 3.37Å; R257-E261 CarbonylContact O-C 3.42Å; R257-E261 WeakPolarHBondContact O-CA 3.44Å; R257-E261 PolarHBondContact O-N 2.96Å; R257-E261 VanDerWaalsContact O-O 3.12Å; R257-E265 HydrophobicContact CB-CG 3.9Å; R257-E265 IonicContact NE-OE1 2.86Å
258	L	98.2	Very high	98.4	Very high	7 Å²	7	41.3 Å²	41.3	4%	0.037	21%	0.207	C	C	.	.	H	α-helix	trans	-62.1	-25.5	176.7	-166.6	73.9	0	0	0	112.1	A105 L106 M109 I181 D254 P262 E265 L266	A105-L258 HydrophobicContact CB-CD2 4.39Å; L106-L258 HydrophobicContact CB-CD2 4.1Å; M109-L258 HydrophobicContact SD-CD1 3.84Å; M109-L258 HydrophobicContact SD-CD2 4.17Å; M109-L258 HydrophobicContact SD-CG 4.01Å; I181-L258 HydrophobicContact CD1-CB 4.45Å; I181-L258 HydrophobicContact CD1-CD2 3.43Å; I181-L258 VanDerWaalsContact CD1-CD2 3.43Å; D254-L258 WeakPolarHBondContact O-CB 3.47Å; D254-L258 PolarHBondContact O-N 3.17Å; L258-P262 HydrophobicContact CD1-CB 4.04Å; L258-P262 WeakPolarHBondContact O-CB 3.49Å; L258-E265 HydrophobicContact CD1-CB 3.91Å; L258-L266 HydrophobicContact CD1-CD2 4.13Å; L258-L266 HydrophobicContact CD1-CG 4.17Å
259	I	96.9	Very high	98.4	Very high	49 Å²	49	34.6 Å²	34.6	25%	0.251	18%	0.175	S	C	.	.	H	α-helix	trans	-77.3	-43	176.4	-71.2	163.9	0	0	0	111.2	G255 D256 R257 F292 Y293	G255-I259 WeakPolarHBondContact O-CD1 3.47Å; G255-I259 WeakPolarHBondContact O-CG1 3.33Å; G255-I259 PolarHBondContact O-N 3.31Å; D256-I259 WeakPolarHBondContact O-CB 3.33Å; D256-I259 PolarHBondContact O-N 2.96Å; R257-I259 PolarHBondContact O-N 3.37Å; I259-F292 HydrophobicContact CG1-CE1 4.46Å; I259-F292 HydrophobicContact CG2-CD1 4.02Å; I259-F292 HydrophobicContact CG2-CE1 3.92Å; I259-Y293 WeakPolarHBondContact O-CD2 3.39Å
260	T	96.8	Very high	98.4	Very high	88 Å²	88	33 Å²	33	54%	0.54	17%	0.168	S	C	.	.	H	α-helix	trans	-89.6	-41.4	-173	54.3	0	0	0	0	113.2	D256 R257 Y293	D256-T260 PolarHBondContact O-N 3.36Å; D256-T260 PolarHBondContact O-OG1 3.22Å; R257-T260 PolarHBondContact O-N 3.37Å; R257-T260 PolarHBondContact O-OG1 3.15Å; T260-Y293 VanDerWaalsContact O-CE2 3.3Å; T260-Y293 WeakPolarHBondContact O-CE2 3.24Å
261	E	96.8	Very high	98.4	Very high	103 Å²	103	40 Å²	40	48%	0.481	20%	0.198	S	C	.	.			trans	-143.6	80.2	-176.7	-72	-176.3	-168.9	0	0	110.5	R257 P264	R257-E261 IonicContact CZ-OE2 3.46Å; R257-E261 IonicContact NH1-OE2 3.6Å; R257-E261 VanDerWaalsContact NH2-CB 3.26Å; R257-E261 IonicContact NH2-OE2 3.24Å; R257-E261 PolarHBondContact NH2-OE2 3.37Å; R257-E261 CarbonylContact O-C 3.42Å; R257-E261 WeakPolarHBondContact O-CA 3.44Å; R257-E261 PolarHBondContact O-N 2.96Å; R257-E261 VanDerWaalsContact O-O 3.12Å; E261-P264 WeakPolarHBondContact O-CD 3.26Å
262	P	98.3	Very high	98.4	Very high	2 Å²	2	40.1 Å²	40.1	1%	0.013	20%	0.198	C	C	.	.	H	α-helix	trans	-69.7	-34.3	-171.3	21.2	-32.1	0	0	0	115.5	M109 L258 E265 L266 L284 Y293	M109-P262 HydrophobicContact CE-CB 3.93Å; M109-P262 HydrophobicContact CE-CG 4.41Å; M109-P262 HydrophobicContact SD-CB 4.12Å; L258-P262 HydrophobicContact CD1-CB 4.04Å; L258-P262 WeakPolarHBondContact O-CB 3.49Å; P262-E265 PolarHBondContact O-N 2.93Å; P262-L266 HydrophobicContact CB-CD1 4.38Å; P262-L266 VanDerWaalsContact O-CG 3.29Å; P262-L266 WeakPolarHBondContact O-CG 3.45Å; P262-L266 PolarHBondContact O-N 2.83Å; P262-L284 HydrophobicContact CB-CD1 4.09Å; P262-L284 HydrophobicContact CG-CD1 3.88Å; P262-Y293 HydrophobicContact CG-CD1 3.9Å; P262-Y293 HydrophobicContact CG-CD2 3.85Å; P262-Y293 HydrophobicContact CG-CE1 4.18Å; P262-Y293 HydrophobicContact CG-CE2 4.17Å; P262-Y293 HydrophobicContact CG-CG 3.72Å
263	L	98.4	Very high	98.3	Very high	24 Å²	24	40.1 Å²	40.1	13%	0.126	20%	0.198	C	C	.	.	H	α-helix	trans	-60.7	-47	-169.7	-179	65.5	0	0	0	113.3	E265 L266 Q267 I279 Q281 L284	L263-E265 VanDerWaalsContact C-N 3.34Å; L263-E265 PolarHBondContact O-N 3.27Å; L263-L266 PolarHBondContact O-N 3.49Å; L263-L266 VanDerWaalsContact O-N 3.16Å; L263-Q267 HydrophobicContact CD1-CG 4.34Å; L263-Q267 HydrophobicContact CG-CG 4.49Å; L263-Q267 WeakPolarHBondContact O-CG 3.41Å; L263-Q267 PolarHBondContact O-N 2.76Å; L263-I279 HydrophobicContact CD1-CG2 4.13Å; L263-Q281 HydrophobicContact CD2-CB 4.1Å; L263-L284 HydrophobicContact CB-CD1 4.07Å; L263-L284 HydrophobicContact CD1-CD1 4.4Å
264	P	98.6	Very high	98.3	Very high	52 Å²	52	46.5 Å²	46.5	34%	0.338	23%	0.232	S	C	.	.	H	α-helix	trans	-58.9	-41.4	177	-27.6	37.6	0	0	0	113.5	E261 L266 Q267 L268	E261-P264 WeakPolarHBondContact O-CD 3.26Å; P264-L266 VanDerWaalsContact C-N 3.33Å; P264-L266 PolarHBondContact O-N 3.5Å; P264-Q267 PolarHBondContact O-N 3.44Å; P264-L268 WeakPolarHBondContact O-CG 3.38Å; P264-L268 PolarHBondContact O-N 3.48Å; P264-L268 VanDerWaalsContact O-N 3.15Å
265	E	98.6	Very high	98.3	Very high	4 Å²	4	47 Å²	47	2%	0.019	24%	0.235	C	C	.	.	H	α-helix	trans	-62.8	-41.2	176.1	-71.7	-55.5	121.9	0	0	111.7	V253 D254 R257 L258 P262 L263 Q267 L268 V269 R341	V253-E265 HydrophobicContact CG1-CB 4.29Å; D254-E265 PolarHBondContact N-OE2 2.94Å; R257-E265 HydrophobicContact CB-CG 3.9Å; R257-E265 IonicContact NE-OE1 2.86Å; L258-E265 HydrophobicContact CD1-CB 3.91Å; P262-E265 PolarHBondContact O-N 2.93Å; L263-E265 VanDerWaalsContact C-N 3.34Å; L263-E265 PolarHBondContact O-N 3.27Å; E265-Q267 VanDerWaalsContact C-N 3.34Å; E265-Q267 PolarHBondContact O-N 3.22Å; E265-L268 PolarHBondContact O-N 2.66Å; E265-V269 WeakPolarHBondContact O-CG2 3.02Å; E265-V269 PolarHBondContact O-N 2.8Å; E265-V269 VanDerWaalsContact O-N 3.15Å; E265-R341 IonicContact OE1-CZ 3.29Å; E265-R341 IonicContact OE1-NH1 2.68Å; E265-R341 IonicContact OE1-NH2 3.71Å; E265-R341 PolarHBondContact OE1-NH2 2.96Å; E265-R341 IonicContact OE2-CZ 2.69Å; E265-R341 IonicContact OE2-NH1 3.02Å; E265-R341 PolarHBondContact OE2-NH1 3.23Å; E265-R341 IonicContact OE2-NH2 3.38Å; E265-R341 PolarHBondContact OE2-NH2 2.87Å
266	L	98.8	Very high	98.2	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-66.9	-36	179.1	-65	170.5	0	0	0	112.2	L106 M109 L110 L258 P262 L263 P264 V269 E270 I279 L284	L106-L266 HydrophobicContact CD1-CD2 4.09Å; M109-L266 HydrophobicContact CB-CD1 3.79Å; M109-L266 HydrophobicContact CB-CD2 3.63Å; M109-L266 HydrophobicContact CB-CG 4.37Å; M109-L266 HydrophobicContact CG-CD1 4.2Å; M109-L266 HydrophobicContact SD-CD1 4.11Å; M109-L266 HydrophobicContact SD-CD2 4.36Å; L110-L266 HydrophobicContact CD2-CD2 4.09Å; L110-L266 HydrophobicContact CG-CD2 4.46Å; L258-L266 HydrophobicContact CD1-CD2 4.13Å; L258-L266 HydrophobicContact CD1-CG 4.17Å; P262-L266 HydrophobicContact CB-CD1 4.38Å; P262-L266 VanDerWaalsContact O-CG 3.29Å; P262-L266 WeakPolarHBondContact O-CG 3.45Å; P262-L266 PolarHBondContact O-N 2.83Å; L263-L266 PolarHBondContact O-N 3.49Å; L263-L266 VanDerWaalsContact O-N 3.16Å; P264-L266 VanDerWaalsContact C-N 3.33Å; P264-L266 PolarHBondContact O-N 3.5Å; L266-V269 PolarHBondContact O-N 2.9Å; L266-E270 WeakPolarHBondContact O-CG 3.38Å; L266-E270 PolarHBondContact O-N 2.8Å; L266-I279 HydrophobicContact CB-CD1 4.37Å; L266-I279 HydrophobicContact CD1-CG2 4.01Å; L266-L284 HydrophobicContact CD1-CD1 3.89Å; L266-L284 HydrophobicContact CD1-CD2 4.46Å
267	Q	98.6	Very high	98.1	Very high	90 Å²	90	52 Å²	52	42%	0.421	27%	0.269	S	S	.	.	H	α-helix	trans	-66.1	-37.4	175.8	-72.2	174	-28.8	0	0	112.2	L263 P264 E265 V269 E270 K271	L263-Q267 HydrophobicContact CD1-CG 4.34Å; L263-Q267 HydrophobicContact CG-CG 4.49Å; L263-Q267 WeakPolarHBondContact O-CG 3.41Å; L263-Q267 PolarHBondContact O-N 2.76Å; P264-Q267 PolarHBondContact O-N 3.44Å; E265-Q267 VanDerWaalsContact C-N 3.34Å; E265-Q267 PolarHBondContact O-N 3.22Å; Q267-V269 VanDerWaalsContact C-N 3.29Å; Q267-V269 PolarHBondContact O-N 3.07Å; Q267-E270 PolarHBondContact O-N 3.44Å; Q267-K271 PolarHBondContact O-N 3.04Å
268	L	98.8	Very high	98.1	Very high	78 Å²	78	53 Å²	53	41%	0.408	27%	0.273	S	S	.	.	H	α-helix	trans	-62.2	-39.9	172	-66.1	175.5	0	0	0	111.3	P264 E265 K271 F272	P264-L268 WeakPolarHBondContact O-CG 3.38Å; P264-L268 PolarHBondContact O-N 3.48Å; P264-L268 VanDerWaalsContact O-N 3.15Å; E265-L268 PolarHBondContact O-N 2.66Å; L268-K271 PolarHBondContact O-N 3.25Å; L268-F272 WeakPolarHBondContact O-CB 3.41Å; L268-F272 PolarHBondContact O-N 3.01Å
269	V	98.8	Very high	98	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-68.7	-41.3	175.8	-178.1	0	0	0	0	111.8	L106 L110 L179 V253 E265 L266 Q267 K271 F272 L273	L106-V269 HydrophobicContact CD1-CG2 4.31Å; L110-V269 HydrophobicContact CD1-CG1 3.91Å; L110-V269 HydrophobicContact CD2-CB 3.93Å; L110-V269 HydrophobicContact CD2-CG1 3.45Å; L110-V269 VanDerWaalsContact CD2-CG1 3.45Å; L110-V269 HydrophobicContact CG-CG1 4.31Å; L179-V269 HydrophobicContact CD1-CG1 4.01Å; L179-V269 HydrophobicContact CD2-CG1 3.79Å; L179-V269 HydrophobicContact CD2-CG2 4.24Å; V253-V269 HydrophobicContact CG2-CG2 3.55Å; E265-V269 WeakPolarHBondContact O-CG2 3.02Å; E265-V269 PolarHBondContact O-N 2.8Å; E265-V269 VanDerWaalsContact O-N 3.15Å; L266-V269 PolarHBondContact O-N 2.9Å; Q267-V269 VanDerWaalsContact C-N 3.29Å; Q267-V269 PolarHBondContact O-N 3.07Å; V269-K271 VanDerWaalsContact C-N 3.34Å; V269-K271 PolarHBondContact O-N 3.31Å; V269-F272 PolarHBondContact O-N 3.34Å; V269-L273 HydrophobicContact CG1-CD1 3.81Å; V269-L273 HydrophobicContact CG1-CG 4.12Å; V269-L273 WeakPolarHBondContact O-CB 3.44Å; V269-L273 VanDerWaalsContact O-CG 3.3Å; V269-L273 WeakPolarHBondContact O-CG 3.44Å; V269-L273 PolarHBondContact O-N 2.92Å
270	E	98.8	Very high	98	Very high	3 Å²	3	52.8 Å²	52.8	1%	0.014	28%	0.276	C	S	.	.	H	α-helix	trans	-56.5	-49.3	174.2	-75.3	176.7	139.3	0	0	110.4	H113 L266 Q267 F272 L273 N274 L275 R278 I279	H113-E270 IonicContact CD2-OE1 2.86Å; H113-E270 PolarHBondContact CD2-OE1 2.82Å; H113-E270 VanDerWaalsContact CD2-OE1 3.29Å; L266-E270 WeakPolarHBondContact O-CG 3.38Å; L266-E270 PolarHBondContact O-N 2.8Å; Q267-E270 PolarHBondContact O-N 3.44Å; E270-F272 PolarHBondContact O-N 3.29Å; E270-L273 CarbonylContact O-C 3.58Å; E270-L273 PolarHBondContact O-N 3.1Å; E270-N274 PolarHBondContact O-N 3.1Å; E270-N274 VanDerWaalsContact O-N 3.15Å; E270-L275 HydrophobicContact CB-CB 4.32Å; E270-L275 PolarHBondContact O-N 2.9Å; E270-R278 PolarHBondContact OE1-N 3.25Å; E270-I279 HydrophobicContact CG-CD1 4.44Å; E270-I279 WeakPolarHBondContact OE1-CB 3.45Å; E270-I279 WeakPolarHBondContact OE1-CG1 3.46Å; E270-I279 PolarHBondContact OE1-N 3.07Å
271	K	98.7	Very high	98	Very high	164 Å²	164	54 Å²	54	71%	0.713	28%	0.275	S	S	*	.	H	α-helix	trans	-59.1	-49.2	176	-175.7	179.1	179.9	-179.1	0	111.6	Q267 L268 V269 L273 N274	Q267-K271 PolarHBondContact O-N 3.04Å; L268-K271 PolarHBondContact O-N 3.25Å; V269-K271 VanDerWaalsContact C-N 3.34Å; V269-K271 PolarHBondContact O-N 3.31Å; K271-L273 VanDerWaalsContact C-N 3.26Å; K271-L273 PolarHBondContact O-N 3.23Å; K271-N274 PolarHBondContact O-N 3.36Å; K271-N274 PolarHBondContact O-OD1 3.36Å
272	F	98.8	Very high	97.9	Very high	31 Å²	31	53.9 Å²	53.9	14%	0.136	27%	0.271	C	S	.	.	H	α-helix	trans	-59.4	-37.2	178.5	171.2	-107.6	0	0	0	112.3	K177 L179 Q249 H251 L268 V269 E270 N274	K177-F272 HydrophobicContact CB-CE1 3.72Å; K177-F272 HydrophobicContact CB-CZ 3.8Å; K177-F272 HydrophobicContact CD-CD1 4.46Å; K177-F272 HydrophobicContact CD-CE1 4.09Å; K177-F272 HydrophobicContact CD-CZ 4.11Å; K177-F272 WeakPolarHBondContact CD-O 3.49Å; K177-F272 WeakPolarHBondContact CE-O 3.48Å; K177-F272 HydrophobicContact CG-CE1 4.18Å; K177-F272 HydrophobicContact CG-CZ 3.95Å; K177-F272 PolarHBondContact NZ-O 2.83Å; L179-F272 HydrophobicContact CD2-CD1 3.95Å; L179-F272 HydrophobicContact CD2-CE1 4.07Å; L179-F272 HydrophobicContact CG-CE1 4.41Å; Q249-F272 WeakPolarHBondContact O-CZ 3.04Å; H251-F272 HydrophobicContact CB-CB 4.08Å; H251-F272 HydrophobicContact CB-CD1 3.35Å; H251-F272 HydrophobicContact CB-CD2 3.63Å; H251-F272 HydrophobicContact CB-CE1 3.5Å; H251-F272 HydrophobicContact CB-CE2 3.78Å; H251-F272 HydrophobicContact CB-CG 3.39Å; H251-F272 HydrophobicContact CB-CZ 3.72Å; H251-F272 AromaticContact CG-CG 3.81Å; L268-F272 WeakPolarHBondContact O-CB 3.41Å; L268-F272 PolarHBondContact O-N 3.01Å; V269-F272 PolarHBondContact O-N 3.34Å; E270-F272 PolarHBondContact O-N 3.29Å; F272-N274 VanDerWaalsContact C-N 3.25Å; F272-N274 PolarHBondContact O-N 2.95Å
273	L	98.6	Very high	97.9	Very high	11 Å²	11	54.9 Å²	54.9	6%	0.058	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	1.7	177.9	-65.7	-179.6	0	0	0	113.8	A93 I151 I153 K177 L179 V269 E270 K271 L275	A93-L273 HydrophobicContact CB-CD2 3.6Å; I151-L273 HydrophobicContact CD1-CD2 4.28Å; I153-L273 HydrophobicContact CD1-CD1 3.81Å; K177-L273 HydrophobicContact CB-CD2 4.24Å; K177-L273 HydrophobicContact CD-CD2 4.06Å; L179-L273 HydrophobicContact CD1-CD1 4.43Å; V269-L273 HydrophobicContact CG1-CD1 3.81Å; V269-L273 HydrophobicContact CG1-CG 4.12Å; V269-L273 WeakPolarHBondContact O-CB 3.44Å; V269-L273 VanDerWaalsContact O-CG 3.3Å; V269-L273 WeakPolarHBondContact O-CG 3.44Å; V269-L273 PolarHBondContact O-N 2.92Å; E270-L273 CarbonylContact O-C 3.58Å; E270-L273 PolarHBondContact O-N 3.1Å; K271-L273 VanDerWaalsContact C-N 3.26Å; K271-L273 PolarHBondContact O-N 3.23Å; L273-L275 VanDerWaalsContact C-N 3.27Å; L273-L275 HydrophobicContact CB-CD1 3.95Å; L273-L275 HydrophobicContact CB-CG 3.88Å; L273-L275 HydrophobicContact CD1-CD1 4.13Å; L273-L275 PolarHBondContact O-N 3.47Å
274	N	98.4	Very high	97.8	Very high	133 Å²	133	54 Å²	54	71%	0.711	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.6	38.6	-173.2	-54.5	-27.3	0	0	0	112.6	K177 E270 K271 F272	K177-N274 VanDerWaalsContact NZ-CG 3.27Å; K177-N274 PolarHBondContact NZ-ND2 3.35Å; K177-N274 PolarHBondContact NZ-OD1 3Å; E270-N274 PolarHBondContact O-N 3.1Å; E270-N274 VanDerWaalsContact O-N 3.15Å; K271-N274 PolarHBondContact O-N 3.36Å; K271-N274 PolarHBondContact O-OD1 3.36Å; F272-N274 VanDerWaalsContact C-N 3.25Å; F272-N274 PolarHBondContact O-N 2.95Å
275	L	97.6	Very high	97.7	Very high	24 Å²	24	54.2 Å²	54.2	13%	0.126	27%	0.266	C	S	.	.			trans	-98.6	142.8	176.3	-64.1	177.5	0	0	0	110.3	A115 V116 I151 E270 L273	A115-L275 HydrophobicContact CB-CD2 3.97Å; V116-L275 HydrophobicContact CG2-CD1 3.57Å; I151-L275 HydrophobicContact CG2-CD1 4.27Å; I151-L275 HydrophobicContact CG2-CD2 4.16Å; E270-L275 HydrophobicContact CB-CB 4.32Å; E270-L275 PolarHBondContact O-N 2.9Å; L273-L275 VanDerWaalsContact C-N 3.27Å; L273-L275 HydrophobicContact CB-CD1 3.95Å; L273-L275 HydrophobicContact CB-CG 3.88Å; L273-L275 HydrophobicContact CD1-CD1 4.13Å; L273-L275 PolarHBondContact O-N 3.47Å
276	P	97.3	Very high	97.6	Very high	41 Å²	41	59.2 Å²	59.2	27%	0.266	29%	0.288	S	S	.	.			trans	-63.9	149.5	171	28.4	-33.9	0	0	0	110.1	F56 H113 R278	F56-P276 HydrophobicContact CD2-CG 4.41Å; F56-P276 HydrophobicContact CE2-CG 4.1Å; H113-P276 PolarHBondContact NE2-O 3.42Å; P276-R278 HydrophobicContact CB-CG 4.5Å; P276-R278 HydrophobicContact CG-CG 4.19Å; P276-R278 PolarHBondContact O-N 2.65Å
277	P	97.1	Very high	97.4	Very high	104 Å²	104	61.1 Å²	61.1	68%	0.675	30%	0.298	S	S	*	.	S	Bend	trans	-68.7	109.4	179.6	28	-33.9	0	0	0	110
278	R	97.3	Very high	97.2	Very high	104 Å²	104	60.9 Å²	60.9	39%	0.392	31%	0.312	S	S	.	.			trans	-130.3	-19.2	-178.8	-60.4	-64.5	-178.3	98.1	-0.7	113.4	L61 H113 P114 E270 P276	L61-R278 VanDerWaalsContact CD2-NH1 3.26Å; H113-R278 WeakPolarHBondContact NE2-CG 3.44Å; P114-R278 HydrophobicContact CG-CB 4.14Å; P114-R278 HydrophobicContact CG-CG 4.08Å; E270-R278 PolarHBondContact OE1-N 3.25Å; P276-R278 HydrophobicContact CB-CG 4.5Å; P276-R278 HydrophobicContact CG-CG 4.19Å; P276-R278 PolarHBondContact O-N 2.65Å
279	I	97.1	Very high	96.8	Very high	6 Å²	6	63.8 Å²	63.8	3%	0.031	33%	0.333	C	S	.	.			trans	-75.1	130.8	169.5	-59	172.8	0	0	0	108.1	L112 H113 L263 L266 E270	L112-I279 HydrophobicContact CB-CG1 4.14Å; L112-I279 HydrophobicContact CD1-CG2 4.37Å; H113-I279 HydrophobicContact CB-CD1 4.14Å; H113-I279 HydrophobicContact CB-CG1 4.06Å; L263-I279 HydrophobicContact CD1-CG2 4.13Å; L266-I279 HydrophobicContact CB-CD1 4.37Å; L266-I279 HydrophobicContact CD1-CG2 4.01Å; E270-I279 HydrophobicContact CG-CD1 4.44Å; E270-I279 WeakPolarHBondContact OE1-CB 3.45Å; E270-I279 WeakPolarHBondContact OE1-CG1 3.46Å; E270-I279 PolarHBondContact OE1-N 3.07Å
280	S	96.4	Very high	96.4	Very high	47 Å²	47	70.4 Å²	70.4	33%	0.329	36%	0.358	S	S	.	.			trans	-129.6	167.3	-175.4	68.8	0	0	0	0	111.8	Y282 N283	S280-Y282 PolarHBondContact O-N 3.23Å; S280-Y282 PolarHBondContact OG-N 3.13Å; S280-N283 PolarHBondContact N-OD1 3.46Å; S280-N283 WeakPolarHBondContact O-CB 3.21Å; S280-N283 PolarHBondContact O-N 2.83Å; S280-N283 PolarHBondContact O-OD1 2.68Å; S280-N283 PolarHBondContact OG-OD1 2.85Å
281	Q	96.1	Very high	96.1	Very high	112 Å²	112	71.9 Å²	71.9	52%	0.523	37%	0.374	S	S	.	.	G	3₁₀ helix	trans	-55.9	-32	174	-167.9	70	1.2	0	0	112.1	L263 N283 L284	L263-Q281 HydrophobicContact CD2-CB 4.1Å; Q281-N283 PolarHBondContact O-N 3.3Å; Q281-L284 PolarHBondContact O-N 3.35Å; Q281-L284 VanDerWaalsContact O-N 3.12Å
282	Y	95.3	Very high	96	Very high	102 Å²	102	67.6 Å²	67.6	40%	0.4	36%	0.356	S	S	.	.	G	3₁₀ helix	trans	-58.7	-31.9	176.7	171.7	-97.6	0	0	0	112.7	S280 L284 R296 I299	S280-Y282 PolarHBondContact O-N 3.23Å; S280-Y282 PolarHBondContact OG-N 3.13Å; Y282-L284 PolarHBondContact O-N 3.45Å; Y282-R296 HydrophobicContact CE1-CG 3.98Å; Y282-R296 VanDerWaalsContact CE2-CD 3.5Å; Y282-R296 WeakPolarHBondContact O-CD 3.3Å; Y282-I299 PolarHBondContact OH-N 3.13Å
283	N	97.1	Very high	95.9	Very high	22 Å²	22	68.4 Å²	68.4	12%	0.118	36%	0.358	C	S	.	.	G	3₁₀ helix	trans	-76	-10.5	-177.8	-58	114.4	0	0	0	113.6	L112 S280 Q281 L295 R296	L112-N283 HydrophobicContact CD1-CB 3.67Å; L112-N283 HydrophobicContact CD2-CB 4.21Å; L112-N283 HydrophobicContact CG-CB 4.42Å; S280-N283 PolarHBondContact N-OD1 3.46Å; S280-N283 WeakPolarHBondContact O-CB 3.21Å; S280-N283 PolarHBondContact O-N 2.83Å; S280-N283 PolarHBondContact O-OD1 2.68Å; S280-N283 PolarHBondContact OG-OD1 2.85Å; Q281-N283 PolarHBondContact O-N 3.3Å; N283-L295 CarbonylContact O-C 3.56Å; N283-L295 WeakPolarHBondContact O-CA 3.38Å; N283-R296 WeakPolarHBondContact CA-O 3.4Å; N283-R296 PolarHBondContact ND2-O 3.42Å; N283-R296 VanDerWaalsContact ND2-O 3.16Å; N283-R296 PolarHBondContact O-N 2.69Å
284	L	97.2	Very high	95.8	Very high	7 Å²	7	68 Å²	68	4%	0.037	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	120.2	-170	-55.6	172.1	0	0	0	108.8	M109 L112 P262 L263 L266 Q281 Y282 Y293 L295	M109-L284 HydrophobicContact CG-CD2 4.35Å; L112-L284 HydrophobicContact CD1-CD2 3.96Å; P262-L284 HydrophobicContact CB-CD1 4.09Å; P262-L284 HydrophobicContact CG-CD1 3.88Å; L263-L284 HydrophobicContact CB-CD1 4.07Å; L263-L284 HydrophobicContact CD1-CD1 4.4Å; L266-L284 HydrophobicContact CD1-CD1 3.89Å; L266-L284 HydrophobicContact CD1-CD2 4.46Å; Q281-L284 PolarHBondContact O-N 3.35Å; Q281-L284 VanDerWaalsContact O-N 3.12Å; Y282-L284 PolarHBondContact O-N 3.45Å; L284-Y293 HydrophobicContact CB-CD1 4.01Å; L284-Y293 HydrophobicContact CB-CE1 4.48Å; L284-L295 HydrophobicContact CD2-CD2 3.72Å
285	Y	96.2	Very high	95.7	Very high	56 Å²	56	61.8 Å²	61.8	22%	0.22	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	136.8	175.5	72.6	-82.6	0	0	0	110.1	N287 Y293 C294 R296 N302	Y285-N287 HydrophobicContact CE2-CB 4.37Å; Y285-Y293 WeakPolarHBondContact O-CA 3.47Å; Y285-C294 HydrophobicContact CD1-CB 4.21Å; Y285-C294 WeakPolarHBondContact CD1-O 3.37Å; Y285-C294 HydrophobicContact CD2-CB 4.5Å; Y285-C294 HydrophobicContact CE1-CB 3.55Å; Y285-C294 HydrophobicContact CE2-CB 3.9Å; Y285-C294 PolarHBondContact N-O 2.94Å; Y285-C294 PolarHBondContact O-N 2.88Å; Y285-C294 WeakPolarHBondContact OH-CB 3.38Å; Y285-R296 HydrophobicContact CD1-CB 4.24Å; Y285-N302 HydrophobicContact CE1-CB 4.06Å
286	F	96.7	Very high	95.5	Very high	109 Å²	109	64.2 Å²	64.2	48%	0.478	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	129.9	177.6	-171.9	-103.8	0	0	0	110.1	A288 Y293	F286-A288 HydrophobicContact CE1-CB 4.46Å; F286-Y293 HydrophobicContact CB-CD1 4.43Å; F286-Y293 HydrophobicContact CB-CE1 4.21Å; F286-Y293 HydrophobicContact CB-CE2 4.49Å; F286-Y293 AromaticContact CD2-CD2 3.88Å; F286-Y293 HydrophobicContact CD2-CD2 3.88Å; F286-Y293 AromaticContact CD2-CE2 3.88Å; F286-Y293 HydrophobicContact CD2-CE2 3.88Å; F286-Y293 HydrophobicContact CD2-CG 4.42Å
287	N	95.7	Very high	95.1	Very high	39 Å²	39	65.1 Å²	65.1	21%	0.209	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	106.4	174.9	-177.2	-52.3	0	0	0	109.1	Y285 T289 R290 G291 F292 C294	Y285-N287 HydrophobicContact CE2-CB 4.37Å; N287-T289 VanDerWaalsContact C-N 3.31Å; N287-T289 PolarHBondContact O-N 3.31Å; N287-T289 WeakPolarHBondContact OD1-CB 2.99Å; N287-T289 PolarHBondContact OD1-N 2.97Å; N287-T289 VanDerWaalsContact OD1-N 3.13Å; N287-R290 HydrophobicContact CB-CB 4.09Å; N287-R290 HydrophobicContact CB-CG 4.27Å; N287-R290 PolarHBondContact O-N 2.77Å; N287-R290 VanDerWaalsContact O-N 3.12Å; N287-R290 PolarHBondContact OD1-N 3.11Å; N287-G291 PolarHBondContact O-N 3.04Å; N287-F292 PolarHBondContact N-O 2.71Å; N287-C294 VanDerWaalsContact CB-SG 3.6Å
288	A	93.6	Very high	94.5	Very high	85 Å²	85	62.3 Å²	62.3	70%	0.702	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-38.1	-176.7	0	0	0	0	0	113.1	F286 R290 G291	F286-A288 HydrophobicContact CE1-CB 4.46Å; A288-R290 VanDerWaalsContact C-N 3.32Å; A288-R290 PolarHBondContact O-N 2.79Å; A288-G291 PolarHBondContact O-N 3.15Å
289	T	91	Very high	93.6	Very high	139 Å²	139	64.5 Å²	64.5	85%	0.853	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-36.5	177.4	-47.7	0	0	0	0	112.2	N287	N287-T289 VanDerWaalsContact C-N 3.31Å; N287-T289 PolarHBondContact O-N 3.31Å; N287-T289 WeakPolarHBondContact OD1-CB 2.99Å; N287-T289 PolarHBondContact OD1-N 2.97Å; N287-T289 VanDerWaalsContact OD1-N 3.13Å
290	R	90	Very high	92.9	Very high	139 Å²	139	71.7 Å²	71.7	53%	0.525	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-26.9	176.6	-67.3	-68.9	-172.9	178.7	-3.1	112.4	N287 A288 F292	N287-R290 HydrophobicContact CB-CB 4.09Å; N287-R290 HydrophobicContact CB-CG 4.27Å; N287-R290 PolarHBondContact O-N 2.77Å; N287-R290 VanDerWaalsContact O-N 3.12Å; N287-R290 PolarHBondContact OD1-N 3.11Å; A288-R290 VanDerWaalsContact C-N 3.32Å; A288-R290 PolarHBondContact O-N 2.79Å; R290-F292 VanDerWaalsContact C-N 3.28Å; R290-F292 WeakPolarHBondContact O-CD2 3.21Å
291	G	92.5	Very high	92.6	Very high	35 Å²	35	72.8 Å²	72.8	36%	0.361	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.1	15.8	-171.4	0	0	0	0	0	114	N287 A288	N287-G291 PolarHBondContact O-N 3.04Å; A288-G291 PolarHBondContact O-N 3.15Å
292	F	95.2	Very high	92.4	Very high	74 Å²	74	70.7 Å²	70.7	33%	0.325	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	160	-176.9	-64.7	-79.1	0	0	0	111.9	I259 N287 R290	I259-F292 HydrophobicContact CG1-CE1 4.46Å; I259-F292 HydrophobicContact CG2-CD1 4.02Å; I259-F292 HydrophobicContact CG2-CE1 3.92Å; N287-F292 PolarHBondContact N-O 2.71Å; R290-F292 VanDerWaalsContact C-N 3.28Å; R290-F292 WeakPolarHBondContact O-CD2 3.21Å
293	Y	96.8	Very high	92.3	Very high	48 Å²	48	68.5 Å²	68.5	19%	0.188	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	134.8	167.9	-79.9	-93.8	0	0	0	112	I259 T260 P262 L284 Y285 F286	I259-Y293 WeakPolarHBondContact O-CD2 3.39Å; T260-Y293 VanDerWaalsContact O-CE2 3.3Å; T260-Y293 WeakPolarHBondContact O-CE2 3.24Å; P262-Y293 HydrophobicContact CG-CD1 3.9Å; P262-Y293 HydrophobicContact CG-CD2 3.85Å; P262-Y293 HydrophobicContact CG-CE1 4.18Å; P262-Y293 HydrophobicContact CG-CE2 4.17Å; P262-Y293 HydrophobicContact CG-CG 3.72Å; L284-Y293 HydrophobicContact CB-CD1 4.01Å; L284-Y293 HydrophobicContact CB-CE1 4.48Å; Y285-Y293 WeakPolarHBondContact O-CA 3.47Å; F286-Y293 HydrophobicContact CB-CD1 4.43Å; F286-Y293 HydrophobicContact CB-CE1 4.21Å; F286-Y293 HydrophobicContact CB-CE2 4.49Å; F286-Y293 AromaticContact CD2-CD2 3.88Å; F286-Y293 HydrophobicContact CD2-CD2 3.88Å; F286-Y293 AromaticContact CD2-CE2 3.88Å; F286-Y293 HydrophobicContact CD2-CE2 3.88Å; F286-Y293 HydrophobicContact CD2-CG 4.42Å
294	C	96.8	Very high	92.1	Very high	2 Å²	2	69 Å²	69	1%	0.014	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	165	170.6	-61.7	0	0	0	0	110.4	Y285 N287 C304	Y285-C294 HydrophobicContact CD1-CB 4.21Å; Y285-C294 WeakPolarHBondContact CD1-O 3.37Å; Y285-C294 HydrophobicContact CD2-CB 4.5Å; Y285-C294 HydrophobicContact CE1-CB 3.55Å; Y285-C294 HydrophobicContact CE2-CB 3.9Å; Y285-C294 PolarHBondContact N-O 2.94Å; Y285-C294 PolarHBondContact O-N 2.88Å; Y285-C294 WeakPolarHBondContact OH-CB 3.38Å; N287-C294 VanDerWaalsContact CB-SG 3.6Å; C294-C304 HydrophobicContact CB-CB 4.01Å; C294-C304 WeakPolarHBondContact CB-SG 3.31Å; C294-C304 VanDerWaalsContact SG-CA 3.55Å; C294-C304 WeakPolarHBondContact SG-CB 3.45Å; C294-C304 CovalentContact SG-SG 2.04Å; C294-C304 PolarHBondContact SG-SG 2.91Å
295	L	96.4	Very high	92	Very high	3 Å²	3	70.5 Å²	70.5	2%	0.016	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	134.1	-170.2	-48.9	-178.3	0	0	0	110.9	E108 M109 L112 N283 L284 F297 N302 K303	E108-L295 HydrophobicContact CB-CD1 3.7Å; M109-L295 HydrophobicContact CE-CD2 4.37Å; M109-L295 HydrophobicContact CG-CD2 3.57Å; L112-L295 HydrophobicContact CD1-CD2 4.08Å; L112-L295 HydrophobicContact CD2-CB 4.41Å; N283-L295 CarbonylContact O-C 3.56Å; N283-L295 WeakPolarHBondContact O-CA 3.38Å; L284-L295 HydrophobicContact CD2-CD2 3.72Å; L295-F297 HydrophobicContact CB-CE2 4.04Å; L295-F297 HydrophobicContact CB-CZ 4.42Å; L295-F297 HydrophobicContact CD1-CZ 4.34Å; L295-N302 CarbonylContact O-C 3.14Å; L295-N302 WeakPolarHBondContact O-CA 3.42Å; L295-K303 PolarHBondContact N-O 3.15Å; L295-K303 PolarHBondContact O-N 3.11Å
296	R	94.1	Very high	91.7	Very high	75 Å²	75	70.8 Å²	70.8	28%	0.283	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	118	171.5	-179.4	178.5	-57.1	159.1	-2.5	109.5	Y282 N283 Y285 N298 N302	Y282-R296 HydrophobicContact CE1-CG 3.98Å; Y282-R296 VanDerWaalsContact CE2-CD 3.5Å; Y282-R296 WeakPolarHBondContact O-CD 3.3Å; N283-R296 WeakPolarHBondContact CA-O 3.4Å; N283-R296 PolarHBondContact ND2-O 3.42Å; N283-R296 VanDerWaalsContact ND2-O 3.16Å; N283-R296 PolarHBondContact O-N 2.69Å; Y285-R296 HydrophobicContact CD1-CB 4.24Å; R296-N298 WeakPolarHBondContact CG-O 3.41Å; R296-N302 WeakPolarHBondContact CB-OD1 3.12Å; R296-N302 VanDerWaalsContact CG-OD1 3.23Å; R296-N302 WeakPolarHBondContact CG-OD1 3.26Å
297	F	88.4	Confident	91.1	Very high	59 Å²	59	68.4 Å²	68.4	26%	0.259	38%	0.381	S	S	.	.	S	Bend	trans	-94	-39.3	179.1	-67.8	-89.4	0	0	0	111.9	L112 L295 F301 K303	L112-F297 HydrophobicContact CD2-CD1 3.77Å; L112-F297 HydrophobicContact CD2-CE1 3.71Å; L112-F297 HydrophobicContact CD2-CG 4.27Å; L112-F297 HydrophobicContact CD2-CZ 4.17Å; L295-F297 HydrophobicContact CB-CE2 4.04Å; L295-F297 HydrophobicContact CB-CZ 4.42Å; L295-F297 HydrophobicContact CD1-CZ 4.34Å; F297-F301 HydrophobicContact CB-CD1 3.75Å; F297-F301 AromaticContact CD2-CD1 3.37Å; F297-F301 HydrophobicContact CD2-CD1 3.37Å; F297-F301 AromaticContact CD2-CE1 3.46Å; F297-F301 HydrophobicContact CD2-CE1 3.46Å; F297-F301 VanDerWaalsContact CD2-CE1 3.46Å; F297-F301 HydrophobicContact CD2-CG 4.49Å; F297-F301 HydrophobicContact CE2-CD1 4.18Å; F297-F301 AromaticContact CE2-CE1 3.79Å; F297-F301 HydrophobicContact CE2-CE1 3.79Å; F297-F301 AromaticContact CG-CD1 3.71Å; F297-F301 HydrophobicContact CG-CD1 3.71Å; F297-F301 HydrophobicContact CG-CE1 4.05Å; F297-F301 PolarHBondContact N-O 3.37Å; F297-K303 HydrophobicContact CD2-CB 4.48Å; F297-K303 HydrophobicContact CE2-CB 3.86Å; F297-K303 HydrophobicContact CE2-CD 4.19Å
298	N	84.4	Confident	90.6	Very high	46 Å²	46	68.9 Å²	68.9	25%	0.246	39%	0.388	C	S	.	.	S	Bend	trans	-153.3	-173.8	174.1	63.9	44.6	0	0	0	109.1	R296 I300 F301	R296-N298 WeakPolarHBondContact CG-O 3.41Å; N298-I300 PolarHBondContact O-N 3.4Å; N298-I300 PolarHBondContact OD1-N 3.47Å; N298-F301 WeakPolarHBondContact OD1-CB 3.36Å; N298-F301 PolarHBondContact OD1-N 3.43Å
299	I	79.3	Confident	90.5	Very high	149 Å²	149	69 Å²	69	76%	0.764	37%	0.372	S	S	*	.	S	Bend	trans	-59.4	-31.1	-176.2	-59.2	170	0	0	0	112	Y282	Y282-I299 PolarHBondContact OH-N 3.13Å
300	I	82.8	Confident	90.4	Very high	158 Å²	158	64.5 Å²	64.5	81%	0.81	35%	0.354	S	S	*	.	S	Bend	trans	-102.8	-32.5	-171.7	-55.5	172.1	0	0	0	111.4	N298	N298-I300 PolarHBondContact O-N 3.4Å; N298-I300 PolarHBondContact OD1-N 3.47Å
301	F	88.9	Confident	90.5	Very high	70 Å²	70	59.8 Å²	59.8	31%	0.307	34%	0.336	S	S	.	.			trans	-104.5	105.2	-170.8	-170.4	-116.5	0	0	0	112.4	F297 N298	F297-F301 HydrophobicContact CB-CD1 3.75Å; F297-F301 AromaticContact CD2-CD1 3.37Å; F297-F301 HydrophobicContact CD2-CD1 3.37Å; F297-F301 AromaticContact CD2-CE1 3.46Å; F297-F301 HydrophobicContact CD2-CE1 3.46Å; F297-F301 VanDerWaalsContact CD2-CE1 3.46Å; F297-F301 HydrophobicContact CD2-CG 4.49Å; F297-F301 HydrophobicContact CE2-CD1 4.18Å; F297-F301 AromaticContact CE2-CE1 3.79Å; F297-F301 HydrophobicContact CE2-CE1 3.79Å; F297-F301 AromaticContact CG-CD1 3.71Å; F297-F301 HydrophobicContact CG-CD1 3.71Å; F297-F301 HydrophobicContact CG-CE1 4.05Å; F297-F301 PolarHBondContact N-O 3.37Å; N298-F301 WeakPolarHBondContact OD1-CB 3.36Å; N298-F301 PolarHBondContact OD1-N 3.43Å
302	N	91.3	Very high	90.5	Very high	68 Å²	68	65.6 Å²	65.6	36%	0.364	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	151	171.6	-64.3	-48.2	0	0	0	110.5	Y285 L295 R296	Y285-N302 HydrophobicContact CE1-CB 4.06Å; L295-N302 CarbonylContact O-C 3.14Å; L295-N302 WeakPolarHBondContact O-CA 3.42Å; R296-N302 WeakPolarHBondContact CB-OD1 3.12Å; R296-N302 VanDerWaalsContact CG-OD1 3.23Å; R296-N302 WeakPolarHBondContact CG-OD1 3.26Å
303	K	93.1	Very high	90.5	Very high	56 Å²	56	65.2 Å²	65.2	24%	0.243	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	124.9	-179.5	-177.5	-176	175	-173.3	0	111.1	E108 L295 F297	E108-K303 IonicContact OE1-NZ 3.13Å; E108-K303 IonicContact OE2-NZ 3.79Å; E108-K303 PolarHBondContact OE2-NZ 2.81Å; L295-K303 PolarHBondContact N-O 3.15Å; L295-K303 PolarHBondContact O-N 3.11Å; F297-K303 HydrophobicContact CD2-CB 4.48Å; F297-K303 HydrophobicContact CE2-CB 3.86Å; F297-K303 HydrophobicContact CE2-CD 4.19Å
304	C	94.7	Very high	90.4	Very high	32 Å²	32	65 Å²	65	22%	0.216	36%	0.361	C	S	.	.	P	Polyproline II helix	trans	-89.9	160.4	163.3	-63.2	0	0	0	0	110.9	C294	C294-C304 HydrophobicContact CB-CB 4.01Å; C294-C304 WeakPolarHBondContact CB-SG 3.31Å; C294-C304 VanDerWaalsContact SG-CA 3.55Å; C294-C304 WeakPolarHBondContact SG-CB 3.45Å; C294-C304 CovalentContact SG-SG 2.04Å; C294-C304 PolarHBondContact SG-SG 2.91Å
305	L	93.2	Very high	90.4	Very high	39 Å²	39	73.8 Å²	73.8	20%	0.204	40%	0.402	C	S	.	.	P	Polyproline II helix	trans	-64.4	157.8	169.9	-60.4	178.6	0	0	0	110.6	A105 E108 K309	A105-L305 HydrophobicContact CB-CD1 3.57Å; E108-L305 HydrophobicContact CB-CD2 4.03Å; E108-L305 HydrophobicContact CG-CD2 3.93Å; L305-K309 HydrophobicContact CB-CB 4.01Å; L305-K309 HydrophobicContact CB-CG 4.04Å; L305-K309 HydrophobicContact CD1-CB 4.44Å
306	A	90.5	Very high	90.5	Very high	62 Å²	62	74.1 Å²	74.1	51%	0.512	40%	0.404	S	S	.	.	P	Polyproline II helix	trans	-58.1	151.7	180	0	0	0	0	0	111.6	S308 K309	A306-S308 PolarHBondContact O-N 2.9Å; A306-K309 WeakPolarHBondContact O-CB 3.39Å; A306-K309 PolarHBondContact O-N 2.96Å
307	G	84.8	Confident	90.7	Very high	58 Å²	58	74.1 Å²	74.1	60%	0.598	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-17.2	-179.8	0	0	0	0	0	114.7	K309	G307-K309 PolarHBondContact O-N 2.64Å
308	S	85	Confident	91.1	Very high	50 Å²	50	75.7 Å²	75.7	35%	0.35	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.2	3.3	169.8	65.6	0	0	0	0	114.2	A306 R311	A306-S308 PolarHBondContact O-N 2.9Å; S308-R311 PolarHBondContact O-NH1 3.43Å
309	K	91.7	Very high	91.8	Very high	86 Å²	86	76.5 Å²	76.5	37%	0.374	44%	0.435	S	S	.	.	S	Bend	trans	-114.5	131.2	176.5	-52.2	-56.5	175.2	-170.5	0	108.2	L305 A306 G307	L305-K309 HydrophobicContact CB-CB 4.01Å; L305-K309 HydrophobicContact CB-CG 4.04Å; L305-K309 HydrophobicContact CD1-CB 4.44Å; A306-K309 WeakPolarHBondContact O-CB 3.39Å; A306-K309 PolarHBondContact O-N 2.96Å; G307-K309 PolarHBondContact O-N 2.64Å
310	G	88.6	Confident	92.7	Very high	46 Å²	46	70 Å²	70	47%	0.474	40%	0.402	S	S	.	.	S	Bend	trans	81.8	43	-174.2	0	0	0	0	0	114.1
311	R	92.1	Very high	93.4	Very high	40 Å²	40	64.3 Å²	64.3	15%	0.151	37%	0.373	C	S	.	.	P	Polyproline II helix	trans	-66	148.1	176.8	-65	171.2	169.7	87.8	5.7	110.8	T194 E198 S308 H313	T194-R311 HydrophobicContact CG2-CB 3.96Å; E198-R311 VanDerWaalsContact CD-CD 3.44Å; E198-R311 WeakPolarHBondContact OE1-CD 3.35Å; E198-R311 WeakPolarHBondContact OE1-CG 3.34Å; E198-R311 IonicContact OE1-NE 3.9Å; E198-R311 PolarHBondContact OE1-NE 2.8Å; E198-R311 VanDerWaalsContact OE1-NE 3.14Å; E198-R311 WeakPolarHBondContact OE2-CD 3.21Å; E198-R311 IonicContact OE2-CZ 3.05Å; E198-R311 IonicContact OE2-NE 2.69Å; E198-R311 PolarHBondContact OE2-NE 3.15Å; E198-R311 IonicContact OE2-NH2 3.71Å; E198-R311 PolarHBondContact OE2-NH2 3.07Å; S308-R311 PolarHBondContact O-NH1 3.43Å; R311-H313 PolarHBondContact O-CD2 3.14Å; R311-H313 PolarHBondContact O-N 2.99Å
312	I	91.9	Very high	93.9	Very high	157 Å²	157	65.3 Å²	65.3	81%	0.805	39%	0.385	S	S	*	.	P	Polyproline II helix	trans	-63.9	126.5	167.7	-59.9	173	0	0	0	107.8	T194	T194-I312 VanDerWaalsContact CG2-O 3.29Å; T194-I312 WeakPolarHBondContact CG2-O 3.41Å
313	H	96	Very high	94.2	Very high	66 Å²	66	66 Å²	66	31%	0.306	39%	0.385	S	S	.	.	P	Polyproline II helix	trans	-82.5	144.4	176	-70.8	-177.8	0	0	0	109.5	I190 S191 R311	I190-H313 HydrophobicContact CG2-CB 3.89Å; S191-H313 WeakPolarHBondContact CB-NE2 3.36Å; S191-H313 PolarHBondContact OG-NE2 3.23Å; R311-H313 PolarHBondContact O-CD2 3.14Å; R311-H313 PolarHBondContact O-N 2.99Å
314	P	95.6	Very high	94.5	Very high	44 Å²	44	63.3 Å²	63.3	29%	0.286	37%	0.373	S	S	.	.	P	Polyproline II helix	trans	-63.3	152.2	171.3	32.1	-38.1	0	0	0	109.7	I190 Y193 T194	I190-P314 HydrophobicContact CG2-CG 4.23Å; Y193-P314 HydrophobicContact CD1-CG 3.91Å; Y193-P314 HydrophobicContact CE1-CG 3.81Å; T194-P314 WeakPolarHBondContact OG1-CD 3.41Å
315	E	96.5	Very high	94.7	Very high	186 Å²	186	66.1 Å²	66.1	87%	0.869	38%	0.379	S	S	*	.	P	Polyproline II helix	trans	-65.8	135	164.9	-168.8	173.9	-173.3	0	0	109.1
316	V	97.5	Very high	95	Very high	9 Å²	9	72.5 Å²	72.5	6%	0.055	41%	0.405	C	S	.	.			trans	-124.7	138.6	179.4	176.4	0	0	0	0	107.7	I190 F210 E211 V320 I321	I190-V316 HydrophobicContact CD1-CB 4.46Å; I190-V316 HydrophobicContact CD1-CG2 3.99Å; I190-V316 HydrophobicContact CG1-CG2 4.17Å; I190-V316 HydrophobicContact CG2-CG2 4.49Å; F210-V316 HydrophobicContact CB-CG2 4.28Å; F210-V316 HydrophobicContact CD1-CB 4.44Å; F210-V316 HydrophobicContact CD1-CG1 3.66Å; F210-V316 HydrophobicContact CD1-CG2 3.83Å; F210-V316 HydrophobicContact CE1-CG1 4.11Å; F210-V316 HydrophobicContact CG-CG2 4.28Å; E211-V316 HydrophobicContact CG-CG1 4.4Å; E211-V316 WeakPolarHBondContact OE1-CA 3.42Å; V316-V320 HydrophobicContact CG1-CB 4.23Å; V316-V320 HydrophobicContact CG1-CG1 4.12Å; V316-I321 HydrophobicContact CB-CD1 4.23Å; V316-I321 HydrophobicContact CB-CG1 4.19Å; V316-I321 HydrophobicContact CG1-CD1 4.5Å; V316-I321 HydrophobicContact CG1-CG1 3.94Å
317	D	97.9	Very high	95.3	Very high	75 Å²	75	71.8 Å²	71.8	40%	0.401	39%	0.391	S	S	.	.			trans	-49.5	124.3	177.7	-172.4	-41.4	0	0	0	111.7	E211 S319 V320 I321	E211-D317 HydrophobicContact CG-CB 4.17Å; E211-D317 PolarHBondContact OE1-N 3.45Å; D317-S319 PolarHBondContact O-N 2.85Å; D317-S319 VanDerWaalsContact O-N 3.15Å; D317-S319 VanDerWaalsContact OD1-CB 3.27Å; D317-S319 WeakPolarHBondContact OD1-CB 3.5Å; D317-S319 PolarHBondContact OD1-N 3.15Å; D317-S319 PolarHBondContact OD1-OG 3.46Å; D317-V320 HydrophobicContact CB-CB 4.27Å; D317-V320 HydrophobicContact CB-CG2 4.01Å; D317-V320 WeakPolarHBondContact O-CA 3.46Å; D317-V320 WeakPolarHBondContact O-CB 3.38Å; D317-V320 PolarHBondContact O-N 3.34Å; D317-I321 PolarHBondContact O-N 3.21Å; D317-I321 VanDerWaalsContact O-N 3.07Å
318	P	98.3	Very high	96	Very high	93 Å²	93	69 Å²	69	60%	0.604	36%	0.362	S	S	*	.	H	α-helix	trans	-55	-31.6	179.3	-27.8	35.5	0	0	0	114.4	V320 I321 T322	P318-V320 VanDerWaalsContact C-N 3.35Å; P318-I321 PolarHBondContact O-N 2.67Å; P318-T322 WeakPolarHBondContact O-CB 3.42Å; P318-T322 PolarHBondContact O-N 2.85Å; P318-T322 PolarHBondContact O-OG1 3.4Å
319	S	97.8	Very high	96.7	Very high	63 Å²	63	70.6 Å²	70.6	44%	0.441	36%	0.364	S	S	.	.	H	α-helix	trans	-66.3	-38.1	176	71	0	0	0	0	111.6	D317 T322 K323	D317-S319 PolarHBondContact O-N 2.85Å; D317-S319 VanDerWaalsContact O-N 3.15Å; D317-S319 VanDerWaalsContact OD1-CB 3.27Å; D317-S319 WeakPolarHBondContact OD1-CB 3.5Å; D317-S319 PolarHBondContact OD1-N 3.15Å; D317-S319 PolarHBondContact OD1-OG 3.46Å; S319-T322 PolarHBondContact O-N 3.23Å; S319-K323 WeakPolarHBondContact O-CG 3.37Å; S319-K323 PolarHBondContact O-N 3.35Å
320	V	98.3	Very high	97	Very high	12 Å²	12	70.1 Å²	70.1	7%	0.073	37%	0.369	C	S	.	.	H	α-helix	trans	-69.6	-41.3	176.1	173.5	0	0	0	0	110.8	F210 E211 I215 V316 D317 P318 T322 K323 L324	F210-V320 HydrophobicContact CE1-CG1 4.42Å; E211-V320 HydrophobicContact CB-CG2 4.2Å; E211-V320 HydrophobicContact CG-CB 4.24Å; E211-V320 HydrophobicContact CG-CG1 4.28Å; E211-V320 HydrophobicContact CG-CG2 3.76Å; I215-V320 HydrophobicContact CD1-CG1 4.12Å; I215-V320 HydrophobicContact CG1-CG1 3.91Å; I215-V320 HydrophobicContact CG1-CG2 4.03Å; V316-V320 HydrophobicContact CG1-CB 4.23Å; V316-V320 HydrophobicContact CG1-CG1 4.12Å; D317-V320 HydrophobicContact CB-CB 4.27Å; D317-V320 HydrophobicContact CB-CG2 4.01Å; D317-V320 WeakPolarHBondContact O-CA 3.46Å; D317-V320 WeakPolarHBondContact O-CB 3.38Å; D317-V320 PolarHBondContact O-N 3.34Å; P318-V320 VanDerWaalsContact C-N 3.35Å; V320-T322 VanDerWaalsContact C-N 3.32Å; V320-T322 PolarHBondContact O-N 2.96Å; V320-K323 PolarHBondContact O-N 2.67Å; V320-L324 HydrophobicContact CG1-CD1 4.02Å; V320-L324 WeakPolarHBondContact O-CB 3.49Å; V320-L324 WeakPolarHBondContact O-CG 3.49Å; V320-L324 PolarHBondContact O-N 3.18Å
321	I	98.6	Very high	97.5	Very high	39 Å²	39	71.3 Å²	71.3	20%	0.2	36%	0.361	C	S	.	.	H	α-helix	trans	-58.8	-46.6	173.3	-64.6	175.2	0	0	0	110.3	T186 V316 D317 P318 K323 L324 R325	T186-I321 HydrophobicContact CG2-CG2 4.37Å; V316-I321 HydrophobicContact CB-CD1 4.23Å; V316-I321 HydrophobicContact CB-CG1 4.19Å; V316-I321 HydrophobicContact CG1-CD1 4.5Å; V316-I321 HydrophobicContact CG1-CG1 3.94Å; D317-I321 PolarHBondContact O-N 3.21Å; D317-I321 VanDerWaalsContact O-N 3.07Å; P318-I321 PolarHBondContact O-N 2.67Å; I321-K323 PolarHBondContact O-N 3.14Å; I321-L324 PolarHBondContact O-N 2.97Å; I321-R325 HydrophobicContact CG2-CG 4.48Å; I321-R325 WeakPolarHBondContact O-CG 3.27Å; I321-R325 PolarHBondContact O-N 3Å
322	T	98.4	Very high	97.8	Very high	91 Å²	91	69.6 Å²	69.6	56%	0.558	36%	0.355	S	S	*	.	H	α-helix	trans	-61.7	-45.2	179.5	-58.4	0	0	0	0	111.5	P318 S319 V320 L324 R325 K326	P318-T322 WeakPolarHBondContact O-CB 3.42Å; P318-T322 PolarHBondContact O-N 2.85Å; P318-T322 PolarHBondContact O-OG1 3.4Å; S319-T322 PolarHBondContact O-N 3.23Å; V320-T322 VanDerWaalsContact C-N 3.32Å; V320-T322 PolarHBondContact O-N 2.96Å; T322-L324 PolarHBondContact O-N 2.66Å; T322-R325 PolarHBondContact O-N 2.87Å; T322-K326 WeakPolarHBondContact O-CB 2.96Å; T322-K326 PolarHBondContact O-N 3.38Å
323	K	98.5	Very high	98.1	Very high	82 Å²	82	66.4 Å²	66.4	36%	0.357	34%	0.337	S	S	.	.	H	α-helix	trans	-59.6	-44.9	174.7	-77.4	-176.3	175	-170.1	0	112.2	C220 S319 V320 I321 K326 F327	C220-K323 PolarHBondContact O-NZ 2.96Å; S319-K323 WeakPolarHBondContact O-CG 3.37Å; S319-K323 PolarHBondContact O-N 3.35Å; V320-K323 PolarHBondContact O-N 2.67Å; I321-K323 PolarHBondContact O-N 3.14Å; K323-K326 PolarHBondContact O-N 3.45Å; K323-F327 WeakPolarHBondContact O-CB 3.17Å; K323-F327 PolarHBondContact O-N 3.01Å
324	L	98.8	Very high	98.3	Very high	0 Å²	0	67.4 Å²	67.4	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-64.9	-44.2	179.1	-75.7	168.8	0	0	0	112.4	T186 F210 A214 V222 V229 V320 I321 T322 F327 F328	T186-L324 HydrophobicContact CG2-CB 3.84Å; T186-L324 HydrophobicContact CG2-CD1 3.89Å; F210-L324 HydrophobicContact CE1-CD1 3.52Å; F210-L324 HydrophobicContact CZ-CD1 3.76Å; A214-L324 HydrophobicContact CB-CD1 4.44Å; V222-L324 HydrophobicContact CB-CD2 4.43Å; V222-L324 HydrophobicContact CG1-CD2 3.71Å; V222-L324 HydrophobicContact CG2-CD2 3.83Å; V222-L324 HydrophobicContact CG2-CG 4.41Å; V229-L324 HydrophobicContact CG2-CD2 4.08Å; V320-L324 HydrophobicContact CG1-CD1 4.02Å; V320-L324 WeakPolarHBondContact O-CB 3.49Å; V320-L324 WeakPolarHBondContact O-CG 3.49Å; V320-L324 PolarHBondContact O-N 3.18Å; I321-L324 PolarHBondContact O-N 2.97Å; T322-L324 PolarHBondContact O-N 2.66Å; L324-F327 WeakPolarHBondContact O-CB 3.34Å; L324-F327 PolarHBondContact O-N 3.23Å; L324-F328 HydrophobicContact CB-CD2 4.35Å; L324-F328 HydrophobicContact CB-CE2 4.13Å; L324-F328 HydrophobicContact CD2-CE2 4.03Å; L324-F328 HydrophobicContact CD2-CZ 4.43Å; L324-F328 WeakPolarHBondContact O-CD2 3.29Å; L324-F328 WeakPolarHBondContact O-CG 3.18Å; L324-F328 PolarHBondContact O-N 2.83Å
325	R	98.8	Very high	98.4	Very high	90 Å²	90	65.3 Å²	65.3	34%	0.34	33%	0.327	S	S	.	.	H	α-helix	trans	-60.1	-47.8	176	-73.6	176.2	176.4	171.2	-2.7	111.6	I321 T322 F327 F328 H329 P346	I321-R325 HydrophobicContact CG2-CG 4.48Å; I321-R325 WeakPolarHBondContact O-CG 3.27Å; I321-R325 PolarHBondContact O-N 3Å; T322-R325 PolarHBondContact O-N 2.87Å; R325-F327 VanDerWaalsContact C-N 3.3Å; R325-F327 PolarHBondContact O-N 2.87Å; R325-F328 PolarHBondContact O-N 3.45Å; R325-H329 PolarHBondContact O-N 3.29Å; R325-P346 HydrophobicContact CG-CG 4.34Å; R325-P346 VanDerWaalsContact NE-CG 3.33Å
326	K	98.7	Very high	98.5	Very high	174 Å²	174	57 Å²	57	76%	0.757	29%	0.288	S	S	*	.	H	α-helix	trans	-58	-42.4	174.9	-174.2	177.1	179.4	-179.1	0	111.9	T322 K323 P330	T322-K326 WeakPolarHBondContact O-CB 2.96Å; T322-K326 PolarHBondContact O-N 3.38Å; K323-K326 PolarHBondContact O-N 3.45Å; K326-P330 WeakPolarHBondContact O-CD 3.22Å
327	F	98.8	Very high	98.6	Very high	47 Å²	47	64.2 Å²	64.2	21%	0.206	32%	0.321	C	S	.	.	H	α-helix	trans	-63.1	-43.6	176.2	168.7	-95.2	0	0	0	112.7	V222 T224 V229 I233 K323 L324 R325 P330 F331	V222-F327 HydrophobicContact CB-CB 4.2Å; V222-F327 HydrophobicContact CB-CD1 4.3Å; V222-F327 HydrophobicContact CB-CD2 3.88Å; V222-F327 HydrophobicContact CB-CE2 4.36Å; V222-F327 HydrophobicContact CB-CG 3.85Å; V222-F327 HydrophobicContact CG1-CB 4.47Å; V222-F327 HydrophobicContact CG1-CD1 3.72Å; V222-F327 HydrophobicContact CG1-CD2 4.06Å; V222-F327 HydrophobicContact CG1-CE1 3.92Å; V222-F327 HydrophobicContact CG1-CE2 4.24Å; V222-F327 HydrophobicContact CG1-CG 3.8Å; V222-F327 HydrophobicContact CG1-CZ 4.19Å; V222-F327 HydrophobicContact CG2-CB 3.68Å; V222-F327 HydrophobicContact CG2-CD1 4.45Å; V222-F327 HydrophobicContact CG2-CD2 4.29Å; V222-F327 HydrophobicContact CG2-CG 3.88Å; T224-F327 HydrophobicContact CG2-CE2 3.81Å; T224-F327 HydrophobicContact CG2-CZ 3.64Å; V229-F327 HydrophobicContact CG1-CE1 3.82Å; V229-F327 HydrophobicContact CG1-CZ 4.35Å; I233-F327 HydrophobicContact CD1-CE1 4.19Å; I233-F327 HydrophobicContact CD1-CZ 3.98Å; I233-F327 HydrophobicContact CG1-CE1 4.29Å; K323-F327 WeakPolarHBondContact O-CB 3.17Å; K323-F327 PolarHBondContact O-N 3.01Å; L324-F327 WeakPolarHBondContact O-CB 3.34Å; L324-F327 PolarHBondContact O-N 3.23Å; R325-F327 VanDerWaalsContact C-N 3.3Å; R325-F327 PolarHBondContact O-N 2.87Å; F327-P330 WeakPolarHBondContact O-CD 3.4Å; F327-F331 HydrophobicContact CE1-CE2 4.16Å; F327-F331 HydrophobicContact CE2-CE2 4.02Å; F327-F331 AromaticContact CZ-CE2 3.8Å; F327-F331 HydrophobicContact CZ-CE2 3.8Å; F327-F331 WeakPolarHBondContact O-CD2 3.28Å; F327-F331 WeakPolarHBondContact O-CE2 3.36Å
328	F	98.8	Very high	98.6	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-75.8	-25.9	-178.8	-69.5	-57	0	0	0	113.4	P185 V229 I233 L324 R325 F331 N332	P185-F328 HydrophobicContact CB-CB 3.94Å; P185-F328 HydrophobicContact CB-CD1 3.9Å; P185-F328 HydrophobicContact CB-CD2 3.5Å; P185-F328 HydrophobicContact CB-CE1 4.27Å; P185-F328 HydrophobicContact CB-CE2 3.91Å; P185-F328 HydrophobicContact CB-CG 3.51Å; P185-F328 HydrophobicContact CB-CZ 4.28Å; P185-F328 HydrophobicContact CG-CB 4.2Å; P185-F328 HydrophobicContact CG-CG 4.27Å; V229-F328 HydrophobicContact CG1-CE1 4.31Å; V229-F328 HydrophobicContact CG1-CZ 4.1Å; I233-F328 HydrophobicContact CG1-CE1 4.12Å; L324-F328 HydrophobicContact CB-CD2 4.35Å; L324-F328 HydrophobicContact CB-CE2 4.13Å; L324-F328 HydrophobicContact CD2-CE2 4.03Å; L324-F328 HydrophobicContact CD2-CZ 4.43Å; L324-F328 WeakPolarHBondContact O-CD2 3.29Å; L324-F328 WeakPolarHBondContact O-CG 3.18Å; L324-F328 PolarHBondContact O-N 2.83Å; R325-F328 PolarHBondContact O-N 3.45Å; F328-F331 CarbonylContact O-C 3.49Å; F328-F331 WeakPolarHBondContact O-CA 3.36Å; F328-F331 WeakPolarHBondContact O-CB 3.38Å; F328-F331 PolarHBondContact O-N 3.04Å; F328-N332 PolarHBondContact O-N 3.39Å; F328-N332 PolarHBondContact O-OD1 3.01Å
329	H	98.8	Very high	98.6	Very high	83 Å²	83	59.5 Å²	59.5	38%	0.384	29%	0.291	S	S	.	.	H	α-helix	trans	-46	-54.4	-175.2	-171	86.6	0	0	0	115	R325 F331 N332 Q333	R325-H329 PolarHBondContact O-N 3.29Å; H329-F331 VanDerWaalsContact C-N 3.29Å; H329-F331 PolarHBondContact O-N 2.9Å; H329-N332 WeakPolarHBondContact O-CB 3.5Å; H329-N332 PolarHBondContact O-N 3.31Å; H329-N332 VanDerWaalsContact O-N 3.12Å; H329-Q333 PolarHBondContact CE1-NE2 2.97Å; H329-Q333 WeakPolarHBondContact O-CG 3.5Å; H329-Q333 PolarHBondContact O-N 3.2Å
330	P	98.6	Very high	98.6	Very high	76 Å²	76	60 Å²	60	49%	0.494	31%	0.307	S	S	.	.	H	α-helix	trans	-62.4	-34.7	179.3	24.7	-35.3	0	0	0	113.1	K326 F327 K334	K326-P330 WeakPolarHBondContact O-CD 3.22Å; F327-P330 WeakPolarHBondContact O-CD 3.4Å; P330-K334 PolarHBondContact O-N 2.82Å
331	F	98.7	Very high	98.5	Very high	70 Å²	70	62 Å²	62	31%	0.307	31%	0.313	S	S	.	.	H	α-helix	trans	-71.3	-33.3	176.3	-57.8	-69.5	0	0	0	112.2	I233 T235 F327 F328 H329 F335	I233-F331 HydrophobicContact CG2-CB 4.2Å; I233-F331 HydrophobicContact CG2-CD1 3.61Å; I233-F331 HydrophobicContact CG2-CD2 4.25Å; I233-F331 HydrophobicContact CG2-CE1 3.98Å; I233-F331 HydrophobicContact CG2-CG 3.76Å; I233-F331 HydrophobicContact CG2-CZ 4.44Å; T235-F331 HydrophobicContact CG2-CB 3.91Å; T235-F331 HydrophobicContact CG2-CD1 3.76Å; T235-F331 HydrophobicContact CG2-CG 4.31Å; F327-F331 HydrophobicContact CE1-CE2 4.16Å; F327-F331 HydrophobicContact CE2-CE2 4.02Å; F327-F331 AromaticContact CZ-CE2 3.8Å; F327-F331 HydrophobicContact CZ-CE2 3.8Å; F327-F331 WeakPolarHBondContact O-CD2 3.28Å; F327-F331 WeakPolarHBondContact O-CE2 3.36Å; F328-F331 CarbonylContact O-C 3.49Å; F328-F331 WeakPolarHBondContact O-CA 3.36Å; F328-F331 WeakPolarHBondContact O-CB 3.38Å; F328-F331 PolarHBondContact O-N 3.04Å; H329-F331 VanDerWaalsContact C-N 3.29Å; H329-F331 PolarHBondContact O-N 2.9Å; F331-F335 WeakPolarHBondContact O-CB 3.32Å; F331-F335 PolarHBondContact O-N 3.48Å
332	N	98.8	Very high	98.5	Very high	4 Å²	4	64.4 Å²	64.4	2%	0.021	33%	0.329	C	S	.	.	H	α-helix	trans	-65.9	-48.6	175.8	-64.2	-13.6	0	0	0	110.5	P185 F328 H329 K334 F335 Y336 W345	P185-N332 VanDerWaalsContact CG-OD1 3.26Å; P185-N332 WeakPolarHBondContact CG-OD1 3.35Å; F328-N332 PolarHBondContact O-N 3.39Å; F328-N332 PolarHBondContact O-OD1 3.01Å; H329-N332 WeakPolarHBondContact O-CB 3.5Å; H329-N332 PolarHBondContact O-N 3.31Å; H329-N332 VanDerWaalsContact O-N 3.12Å; N332-K334 VanDerWaalsContact C-N 3.31Å; N332-K334 PolarHBondContact O-N 3.49Å; N332-F335 WeakPolarHBondContact O-CA 3.4Å; N332-F335 WeakPolarHBondContact O-CB 3.19Å; N332-F335 PolarHBondContact O-N 3.05Å; N332-Y336 HydrophobicContact CB-CE2 4.1Å; N332-Y336 WeakPolarHBondContact O-CD1 3.49Å; N332-Y336 WeakPolarHBondContact O-CD2 3.48Å; N332-Y336 PolarHBondContact O-N 3.2Å; N332-W345 HydrophobicContact CB-CE3 4.13Å
333	Q	98.8	Very high	98.4	Very high	90 Å²	90	60.5 Å²	60.5	42%	0.421	31%	0.305	S	S	.	.	H	α-helix	trans	-57.3	-45.6	177.1	-63.9	-53.5	-31.7	0	0	111.6	H329 F335 Y336 Q337	H329-Q333 PolarHBondContact CE1-NE2 2.97Å; H329-Q333 WeakPolarHBondContact O-CG 3.5Å; H329-Q333 PolarHBondContact O-N 3.2Å; Q333-F335 VanDerWaalsContact C-N 3.34Å; Q333-F335 PolarHBondContact O-N 3.35Å; Q333-Y336 PolarHBondContact O-N 2.82Å; Q333-Q337 PolarHBondContact O-N 3.22Å
334	K	98.8	Very high	98.3	Very high	87 Å²	87	63.3 Å²	63.3	38%	0.378	32%	0.324	S	S	.	.	H	α-helix	trans	-62.7	-39.8	175.5	-170.1	174.1	178.1	179.8	0	112.4	T235 E239 P330 N332 Q337 I338	T235-K334 HydrophobicContact CG2-CD 4.42Å; T235-K334 WeakPolarHBondContact OG1-CG 3.47Å; E239-K334 WeakPolarHBondContact OE1-CE 3.41Å; E239-K334 IonicContact OE1-NZ 3.83Å; E239-K334 PolarHBondContact OE1-NZ 3.43Å; P330-K334 PolarHBondContact O-N 2.82Å; N332-K334 VanDerWaalsContact C-N 3.31Å; N332-K334 PolarHBondContact O-N 3.49Å; K334-Q337 PolarHBondContact O-N 3.02Å; K334-I338 HydrophobicContact CG-CD1 4Å; K334-I338 VanDerWaalsContact O-CG1 3.26Å; K334-I338 WeakPolarHBondContact O-CG1 3.4Å; K334-I338 PolarHBondContact O-N 2.72Å
335	F	98.8	Very high	98.3	Very high	1 Å²	1	64.2 Å²	64.2	0%	0.004	33%	0.327	C	S	.	.	H	α-helix	trans	-63.5	-41.3	175.8	-175.7	-99	0	0	0	112	V182 L238 V252 F331 N332 Q333 I338 T339 L343 W345	V182-F335 HydrophobicContact CG1-CE1 4.49Å; V182-F335 HydrophobicContact CG1-CZ 4.04Å; V182-F335 HydrophobicContact CG2-CE1 4.13Å; V182-F335 HydrophobicContact CG2-CZ 4.37Å; L238-F335 HydrophobicContact CB-CE2 4.42Å; L238-F335 HydrophobicContact CD2-CD2 3.96Å; L238-F335 HydrophobicContact CD2-CE2 3.72Å; V252-F335 HydrophobicContact CG1-CE1 4Å; V252-F335 HydrophobicContact CG1-CZ 3.98Å; V252-F335 HydrophobicContact CG2-CZ 4.12Å; F331-F335 WeakPolarHBondContact O-CB 3.32Å; F331-F335 PolarHBondContact O-N 3.48Å; N332-F335 WeakPolarHBondContact O-CA 3.4Å; N332-F335 WeakPolarHBondContact O-CB 3.19Å; N332-F335 PolarHBondContact O-N 3.05Å; Q333-F335 VanDerWaalsContact C-N 3.34Å; Q333-F335 PolarHBondContact O-N 3.35Å; F335-I338 PolarHBondContact O-N 2.9Å; F335-T339 HydrophobicContact CD1-CG2 4.32Å; F335-T339 HydrophobicContact CD2-CG2 4.24Å; F335-T339 HydrophobicContact CE1-CG2 4.02Å; F335-T339 HydrophobicContact CE2-CG2 3.94Å; F335-T339 HydrophobicContact CG-CG2 4.43Å; F335-T339 HydrophobicContact CZ-CG2 3.83Å; F335-T339 WeakPolarHBondContact O-CB 3.37Å; F335-T339 VanDerWaalsContact O-CG2 3.25Å; F335-T339 WeakPolarHBondContact O-CG2 3.45Å; F335-T339 PolarHBondContact O-N 2.97Å; F335-T339 PolarHBondContact O-OG1 3.1Å; F335-L343 HydrophobicContact CD1-CD1 4.48Å; F335-L343 HydrophobicContact CE1-CD1 4.03Å; F335-W345 HydrophobicContact CD1-CH2 4.39Å; F335-W345 HydrophobicContact CD1-CZ3 4.36Å; F335-W345 HydrophobicContact CE1-CH2 4.36Å
336	Y	98.7	Very high	98.1	Very high	10 Å²	10	64.1 Å²	64.1	4%	0.039	34%	0.339	C	S	.	.	H	α-helix	trans	-63.8	-43.8	175.7	-53.8	-26.7	0	0	0	111.5	N332 Q333 I338 T339 G340 R341 T342 L343 W345	N332-Y336 HydrophobicContact CB-CE2 4.1Å; N332-Y336 WeakPolarHBondContact O-CD1 3.49Å; N332-Y336 WeakPolarHBondContact O-CD2 3.48Å; N332-Y336 PolarHBondContact O-N 3.2Å; Q333-Y336 PolarHBondContact O-N 2.82Å; Y336-I338 PolarHBondContact O-N 2.9Å; Y336-T339 PolarHBondContact O-N 3.12Å; Y336-T339 PolarHBondContact O-OG1 3.23Å; Y336-G340 WeakPolarHBondContact O-CA 3.48Å; Y336-G340 PolarHBondContact O-N 3.27Å; Y336-R341 VanDerWaalsContact CD1-O 3.27Å; Y336-R341 WeakPolarHBondContact CD1-O 3.4Å; Y336-R341 PolarHBondContact O-N 2.95Å; Y336-T342 HydrophobicContact CD2-CG2 4.07Å; Y336-T342 HydrophobicContact CE2-CG2 4.28Å; Y336-T342 HydrophobicContact CG-CG2 4.49Å; Y336-L343 HydrophobicContact CD1-CB 4.49Å; Y336-L343 HydrophobicContact CD1-CG 4.35Å; Y336-L343 HydrophobicContact CE1-CB 3.7Å; Y336-L343 HydrophobicContact CE1-CD1 4.13Å; Y336-L343 HydrophobicContact CE1-CG 3.93Å; Y336-W345 HydrophobicContact CE1-CD2 4.39Å; Y336-W345 AromaticContact CE1-CE3 3.78Å; Y336-W345 HydrophobicContact CE1-CE3 3.78Å; Y336-W345 AromaticContact CE1-CZ3 3.84Å; Y336-W345 HydrophobicContact CE1-CZ3 3.84Å; Y336-W345 AromaticContact CZ-CE3 3.76Å; Y336-W345 VanDerWaalsContact OH-CB 3.28Å; Y336-W345 WeakPolarHBondContact OH-CB 3.45Å; Y336-W345 VanDerWaalsContact OH-CD2 3.23Å; Y336-W345 PolarHBondContact OH-N 3.36Å
337	Q	98.5	Very high	98.1	Very high	161 Å²	161	58.7 Å²	58.7	75%	0.752	32%	0.318	S	S	*	.	H	α-helix	trans	-59.6	-47.4	176.6	-174.1	-177.2	4.7	0	0	111.9	Q333 K334 T339	Q333-Q337 PolarHBondContact O-N 3.22Å; K334-Q337 PolarHBondContact O-N 3.02Å; Q337-T339 PolarHBondContact O-N 3.31Å
338	I	98.4	Very high	98	Very high	43 Å²	43	59.3 Å²	59.3	22%	0.221	32%	0.324	C	S	.	.	H	α-helix	trans	-64.7	-41.5	-179.9	-69.3	167.3	0	0	0	111.4	T235 L238 E239 L242 I247 K334 F335 Y336	T235-I338 WeakPolarHBondContact OG1-CD1 3.42Å; L238-I338 HydrophobicContact CD2-CB 4.39Å; L238-I338 HydrophobicContact CD2-CG2 3.56Å; L238-I338 HydrophobicContact CG-CG2 4.26Å; E239-I338 HydrophobicContact CG-CD1 4.3Å; L242-I338 HydrophobicContact CD1-CG2 3.49Å; L242-I338 VanDerWaalsContact CD1-CG2 3.49Å; I247-I338 HydrophobicContact CD1-CG2 4.32Å; K334-I338 HydrophobicContact CG-CD1 4Å; K334-I338 VanDerWaalsContact O-CG1 3.26Å; K334-I338 WeakPolarHBondContact O-CG1 3.4Å; K334-I338 PolarHBondContact O-N 2.72Å; F335-I338 PolarHBondContact O-N 2.9Å; Y336-I338 PolarHBondContact O-N 2.9Å
339	T	98.1	Very high	98	Very high	27 Å²	27	62.6 Å²	62.6	17%	0.166	34%	0.342	C	S	.	.	H	α-helix	trans	-88.2	-11.5	-172.9	59	0	0	0	0	113.5	L238 V252 F335 Y336 Q337 R341	L238-T339 HydrophobicContact CD2-CG2 3.58Å; V252-T339 HydrophobicContact CG2-CG2 3.7Å; F335-T339 HydrophobicContact CD1-CG2 4.32Å; F335-T339 HydrophobicContact CD2-CG2 4.24Å; F335-T339 HydrophobicContact CE1-CG2 4.02Å; F335-T339 HydrophobicContact CE2-CG2 3.94Å; F335-T339 HydrophobicContact CG-CG2 4.43Å; F335-T339 HydrophobicContact CZ-CG2 3.83Å; F335-T339 WeakPolarHBondContact O-CB 3.37Å; F335-T339 VanDerWaalsContact O-CG2 3.25Å; F335-T339 WeakPolarHBondContact O-CG2 3.45Å; F335-T339 PolarHBondContact O-N 2.97Å; F335-T339 PolarHBondContact O-OG1 3.1Å; Y336-T339 PolarHBondContact O-N 3.12Å; Y336-T339 PolarHBondContact O-OG1 3.23Å; Q337-T339 PolarHBondContact O-N 3.31Å; T339-R341 PolarHBondContact O-N 3.12Å; T339-R341 PolarHBondContact OG1-N 2.93Å
340	G	97.8	Very high	98	Very high	74 Å²	74	61.4 Å²	61.4	76%	0.763	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.5	14.8	-171.2	0	0	0	0	0	113.7	Y336	Y336-G340 WeakPolarHBondContact O-CA 3.48Å; Y336-G340 PolarHBondContact O-N 3.27Å
341	R	97.3	Very high	97.9	Very high	52 Å²	52	60.4 Å²	60.4	20%	0.196	33%	0.33	C	S	.	.			trans	-129.7	111.4	-173.5	-172.7	177.6	176.9	164.3	8.5	111.3	V252 E265 Y336 T339 L343	V252-R341 PolarHBondContact O-NH1 3.44Å; E265-R341 IonicContact OE1-CZ 3.29Å; E265-R341 IonicContact OE1-NH1 2.68Å; E265-R341 IonicContact OE1-NH2 3.71Å; E265-R341 PolarHBondContact OE1-NH2 2.96Å; E265-R341 IonicContact OE2-CZ 2.69Å; E265-R341 IonicContact OE2-NH1 3.02Å; E265-R341 PolarHBondContact OE2-NH1 3.23Å; E265-R341 IonicContact OE2-NH2 3.38Å; E265-R341 PolarHBondContact OE2-NH2 2.87Å; Y336-R341 VanDerWaalsContact CD1-O 3.27Å; Y336-R341 WeakPolarHBondContact CD1-O 3.4Å; Y336-R341 PolarHBondContact O-N 2.95Å; T339-R341 PolarHBondContact O-N 3.12Å; T339-R341 PolarHBondContact OG1-N 2.93Å; R341-L343 HydrophobicContact CG-CD2 3.93Å
342	T	97.7	Very high	97.9	Very high	90 Å²	90	59.8 Å²	59.8	55%	0.552	33%	0.331	S	S	*	.			trans	-82.3	127.5	173	-54.2	0	0	0	0	110.5	Y336 N344	Y336-T342 HydrophobicContact CD2-CG2 4.07Å; Y336-T342 HydrophobicContact CE2-CG2 4.28Å; Y336-T342 HydrophobicContact CG-CG2 4.49Å; T342-N344 WeakPolarHBondContact CG2-OD1 3.48Å
343	L	97.6	Very high	97.8	Very high	10 Å²	10	63.8 Å²	63.8	5%	0.052	35%	0.353	C	S	.	.			trans	-106.9	3	-175.9	-57.7	173	0	0	0	113.6	V182 V252 D254 F335 Y336 R341 W345	V182-L343 HydrophobicContact CG2-CD1 3.48Å; V182-L343 VanDerWaalsContact CG2-CD1 3.48Å; V252-L343 HydrophobicContact CG1-CD1 4.44Å; D254-L343 HydrophobicContact CB-CD2 3.77Å; F335-L343 HydrophobicContact CD1-CD1 4.48Å; F335-L343 HydrophobicContact CE1-CD1 4.03Å; Y336-L343 HydrophobicContact CD1-CB 4.49Å; Y336-L343 HydrophobicContact CD1-CG 4.35Å; Y336-L343 HydrophobicContact CE1-CB 3.7Å; Y336-L343 HydrophobicContact CE1-CD1 4.13Å; Y336-L343 HydrophobicContact CE1-CG 3.93Å; R341-L343 HydrophobicContact CG-CD2 3.93Å; L343-W345 VanDerWaalsContact C-N 3.27Å; L343-W345 HydrophobicContact CB-CD2 4.13Å; L343-W345 HydrophobicContact CB-CH2 4.5Å; L343-W345 HydrophobicContact CB-CZ2 3.99Å; L343-W345 HydrophobicContact CD1-CH2 3.36Å; L343-W345 HydrophobicContact CD1-CZ2 3.26Å; L343-W345 HydrophobicContact CD1-CZ3 4.15Å; L343-W345 HydrophobicContact CG-CZ2 4.25Å; L343-W345 PolarHBondContact O-N 3.06Å
344	N	96.6	Very high	97.7	Very high	141 Å²	141	61.8 Å²	61.8	75%	0.754	35%	0.348	S	S	*	.			trans	52.4	39.5	175.6	-56.6	-42.4	0	0	0	114.1	T342	T342-N344 WeakPolarHBondContact CG2-OD1 3.48Å
345	W	98.3	Very high	97.7	Very high	18 Å²	18	59.7 Å²	59.7	7%	0.068	35%	0.345	C	S	.	.			trans	-72.2	143.3	172.1	-60.9	-34.5	0	0	0	110.7	V182 R183 E184 P185 Y234 D256 N332 F335 Y336 L343	V182-W345 HydrophobicContact CB-CH2 3.93Å; V182-W345 HydrophobicContact CB-CZ2 4.01Å; V182-W345 HydrophobicContact CG2-CH2 3.77Å; V182-W345 HydrophobicContact CG2-CZ2 3.77Å; R183-W345 VanDerWaalsContact C-CZ2 3.44Å; R183-W345 VanDerWaalsContact O-CZ2 3.28Å; R183-W345 WeakPolarHBondContact O-CZ2 3.4Å; E184-W345 HydrophobicContact CB-CG 4.15Å; E184-W345 HydrophobicContact CG-CB 4.1Å; E184-W345 HydrophobicContact CG-CG 4.08Å; E184-W345 VanDerWaalsContact N-NE1 3.18Å; P185-W345 VanDerWaalsContact CD-CE3 3.47Å; P185-W345 HydrophobicContact CG-CD2 4.39Å; P185-W345 HydrophobicContact CG-CE3 3.83Å; P185-W345 HydrophobicContact CG-CZ3 4.04Å; Y234-W345 AromaticContact CD2-CH2 3.55Å; Y234-W345 HydrophobicContact CD2-CH2 3.55Å; Y234-W345 AromaticContact CD2-CZ3 3.73Å; Y234-W345 HydrophobicContact CD2-CZ3 3.73Å; Y234-W345 AromaticContact CE2-CH2 3.32Å; Y234-W345 HydrophobicContact CE2-CH2 3.32Å; Y234-W345 HydrophobicContact CE2-CZ2 4.07Å; Y234-W345 AromaticContact CE2-CZ3 3.7Å; Y234-W345 HydrophobicContact CE2-CZ3 3.7Å; D256-W345 PolarHBondContact OD2-NE1 3.43Å; D256-W345 VanDerWaalsContact OD2-NE1 3.13Å; N332-W345 HydrophobicContact CB-CE3 4.13Å; F335-W345 HydrophobicContact CD1-CH2 4.39Å; F335-W345 HydrophobicContact CD1-CZ3 4.36Å; F335-W345 HydrophobicContact CE1-CH2 4.36Å; Y336-W345 HydrophobicContact CE1-CD2 4.39Å; Y336-W345 AromaticContact CE1-CE3 3.78Å; Y336-W345 HydrophobicContact CE1-CE3 3.78Å; Y336-W345 AromaticContact CE1-CZ3 3.84Å; Y336-W345 HydrophobicContact CE1-CZ3 3.84Å; Y336-W345 AromaticContact CZ-CE3 3.76Å; Y336-W345 VanDerWaalsContact OH-CB 3.28Å; Y336-W345 WeakPolarHBondContact OH-CB 3.45Å; Y336-W345 VanDerWaalsContact OH-CD2 3.23Å; Y336-W345 PolarHBondContact OH-N 3.36Å; L343-W345 VanDerWaalsContact C-N 3.27Å; L343-W345 HydrophobicContact CB-CD2 4.13Å; L343-W345 HydrophobicContact CB-CH2 4.5Å; L343-W345 HydrophobicContact CB-CZ2 3.99Å; L343-W345 HydrophobicContact CD1-CH2 3.36Å; L343-W345 HydrophobicContact CD1-CZ2 3.26Å; L343-W345 HydrophobicContact CD1-CZ3 4.15Å; L343-W345 HydrophobicContact CG-CZ2 4.25Å; L343-W345 PolarHBondContact O-N 3.06Å
346	P	94.3	Very high	97.6	Very high	89 Å²	89	65 Å²	65	58%	0.578	38%	0.376	S	S	*	.			trans	-68.6	0	-176.7	30.9	-38.4	0	0	0	114.4	E184 R325	E184-P346 HydrophobicContact CG-CG 4.17Å; R325-P346 HydrophobicContact CG-CG 4.34Å; R325-P346 VanDerWaalsContact NE-CG 3.33Å

Retrieved 346 of 346 residues in 69 ms (Link to these results)

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