A0A087YBG6_POEFO Loading...

Sulfotransferase

AlphaFold DB , UniProt , Accession A0A087YBG6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 345 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	57.4	Low	63.4	Low	220 Å²	220	143 Å²	143	100%	1.084	68%	0.684	S	S	*	*				0	-24	0	-84.8	178.7	-175.2	0	0	114.6	F3	M1-F3 PolarHBondContact O-N 3.15Å
2	L	55	Low	64	Low	137 Å²	137	141.9 Å²	141.9	72%	0.717	67%	0.674	S	S	*	*	H	α-helix	trans	-67.5	-32	179.5	-91.8	89.5	0	0	0	115.7	K4 Q5 Q6	L2-K4 PolarHBondContact O-N 2.94Å; L2-Q5 PolarHBondContact O-N 3.01Å; L2-Q6 PolarHBondContact O-N 2.85Å
3	F	55.2	Low	64.7	Low	180 Å²	180	139.8 Å²	139.8	79%	0.789	67%	0.669	S	S	*	*	H	α-helix	trans	-67.5	-30.7	-177.6	-85.3	-84	0	0	0	114.3	M1 A7	M1-F3 PolarHBondContact O-N 3.15Å; F3-A7 PolarHBondContact O-N 2.93Å
4	K	57.8	Low	65.2	Low	183 Å²	183	142.1 Å²	142.1	80%	0.796	68%	0.675	S	S	*	*	H	α-helix	trans	-73.1	-30.8	177.6	-79	-173.4	175.4	-177.1	0	112.6	L2 L8	L2-K4 PolarHBondContact O-N 2.94Å; K4-L8 PolarHBondContact O-N 2.63Å
5	Q	60.9	Low	65.6	Low	141 Å²	141	138.1 Å²	138.1	66%	0.659	66%	0.663	S	S	*	*	H	α-helix	trans	-74.7	-35.5	178.1	-81.8	177.5	-27.7	0	0	112.5	L2 L8 L9	L2-Q5 PolarHBondContact O-N 3.01Å; Q5-L8 PolarHBondContact O-N 3.19Å; Q5-L9 PolarHBondContact O-N 2.78Å; Q5-L9 VanDerWaalsContact O-N 3.12Å
6	Q	63.6	Low	65.9	Low	117 Å²	117	136.6 Å²	136.6	55%	0.547	66%	0.659	S	S	.	*	H	α-helix	trans	-67.5	-36.5	174.7	-79.9	-176.3	-23.4	0	0	112.9	L2 L9 R10	L2-Q6 PolarHBondContact O-N 2.85Å; Q6-L9 PolarHBondContact O-N 3.26Å; Q6-R10 WeakPolarHBondContact O-CG 3.21Å; Q6-R10 PolarHBondContact O-N 3.32Å
7	A	65.5	Low	66.3	Low	59 Å²	59	130.4 Å²	130.4	49%	0.488	64%	0.639	S	S	.	*	H	α-helix	trans	-64.6	-42.9	175.8	0	0	0	0	0	112	F3 L9 R10 Q11	F3-A7 PolarHBondContact O-N 2.93Å; A7-L9 VanDerWaalsContact C-N 3.35Å; A7-L9 PolarHBondContact O-N 2.83Å; A7-R10 PolarHBondContact O-N 3.09Å; A7-Q11 WeakPolarHBondContact O-CB 3.49Å; A7-Q11 PolarHBondContact O-N 3.31Å
8	L	68.8	Low	66.5	Low	96 Å²	96	126.9 Å²	126.9	50%	0.503	63%	0.63	S	S	.	*	H	α-helix	trans	-65.7	-37.3	178.1	-164	76.7	0	0	0	112.2	K4 Q5 Q11 K12	K4-L8 PolarHBondContact O-N 2.63Å; Q5-L8 PolarHBondContact O-N 3.19Å; L8-Q11 PolarHBondContact O-N 2.99Å; L8-K12 WeakPolarHBondContact O-CG 3.34Å; L8-K12 PolarHBondContact O-N 3.44Å
9	L	70.6	Confident	66.7	Low	112 Å²	112	126 Å²	126	59%	0.586	63%	0.627	S	S	*	*	H	α-helix	trans	-68.7	-41.9	177.6	-156.8	79.1	0	0	0	111.5	Q5 Q6 A7 Q11 K12 L13	Q5-L9 PolarHBondContact O-N 2.78Å; Q5-L9 VanDerWaalsContact O-N 3.12Å; Q6-L9 PolarHBondContact O-N 3.26Å; A7-L9 VanDerWaalsContact C-N 3.35Å; A7-L9 PolarHBondContact O-N 2.83Å; L9-Q11 PolarHBondContact O-N 2.59Å; L9-K12 PolarHBondContact O-N 3.12Å; L9-L13 HydrophobicContact CG-CD1 4.25Å; L9-L13 WeakPolarHBondContact O-CB 3.45Å; L9-L13 PolarHBondContact O-N 3.33Å
10	R	71.1	Confident	67.1	Low	196 Å²	196	124.3 Å²	124.3	74%	0.74	62%	0.623	S	S	*	*	H	α-helix	trans	-62.6	-41.4	174.6	-75.9	-175.6	178.5	-161.8	0.2	112	Q6 A7 L13 F14	Q6-R10 WeakPolarHBondContact O-CG 3.21Å; Q6-R10 PolarHBondContact O-N 3.32Å; A7-R10 PolarHBondContact O-N 3.09Å; R10-L13 PolarHBondContact O-N 3.01Å; R10-F14 WeakPolarHBondContact O-CB 3.5Å; R10-F14 PolarHBondContact O-N 3.43Å
11	Q	71.7	Confident	67.5	Low	132 Å²	132	123.5 Å²	123.5	62%	0.617	62%	0.62	S	S	*	*	H	α-helix	trans	-64.6	-40.7	177.7	-161.3	174.8	12.1	0	0	111.7	A7 L8 L9 F14 V15	A7-Q11 WeakPolarHBondContact O-CB 3.49Å; A7-Q11 PolarHBondContact O-N 3.31Å; L8-Q11 PolarHBondContact O-N 2.99Å; L9-Q11 PolarHBondContact O-N 2.59Å; Q11-F14 PolarHBondContact O-N 3.3Å; Q11-V15 WeakPolarHBondContact O-CG2 3.24Å; Q11-V15 PolarHBondContact O-N 2.96Å; Q11-V15 VanDerWaalsContact O-N 3.15Å
12	K	70.8	Confident	68.2	Low	130 Å²	130	114.9 Å²	114.9	57%	0.565	59%	0.588	S	S	*	*	H	α-helix	trans	-66.6	-40.2	175.2	-74.3	-176.1	176.7	-172	0	112.9	L8 L9 F14 V15 L16	L8-K12 WeakPolarHBondContact O-CG 3.34Å; L8-K12 PolarHBondContact O-N 3.44Å; L9-K12 PolarHBondContact O-N 3.12Å; K12-F14 VanDerWaalsContact C-N 3.34Å; K12-V15 PolarHBondContact O-N 2.87Å; K12-L16 PolarHBondContact O-N 3.21Å
13	L	72.8	Confident	68.9	Low	115 Å²	115	111.7 Å²	111.7	60%	0.602	58%	0.577	S	S	*	*	H	α-helix	trans	-64.9	-36.7	174.9	-97.7	137.3	0	0	0	112.4	L9 R10 L16 G17	L9-L13 HydrophobicContact CG-CD1 4.25Å; L9-L13 WeakPolarHBondContact O-CB 3.45Å; L9-L13 PolarHBondContact O-N 3.33Å; R10-L13 PolarHBondContact O-N 3.01Å; L13-L16 PolarHBondContact O-N 3.16Å; L13-G17 PolarHBondContact O-N 2.86Å
14	F	72.2	Confident	69.8	Low	172 Å²	172	107 Å²	107	75%	0.754	56%	0.563	S	S	*	*	H	α-helix	trans	-67.2	-41.4	177.3	-145.2	-91.4	0	0	0	112	R10 Q11 K12 G17 S18	R10-F14 WeakPolarHBondContact O-CB 3.5Å; R10-F14 PolarHBondContact O-N 3.43Å; Q11-F14 PolarHBondContact O-N 3.3Å; K12-F14 VanDerWaalsContact C-N 3.34Å; F14-G17 PolarHBondContact O-N 3.34Å; F14-S18 PolarHBondContact O-N 3Å
15	V	71.3	Confident	70.4	Confident	82 Å²	82	103.7 Å²	103.7	50%	0.497	55%	0.553	S	S	.	*	H	α-helix	trans	-64.7	-45	175.9	174.1	0	0	0	0	111	Q11 K12 G17 S18 L19	Q11-V15 WeakPolarHBondContact O-CG2 3.24Å; Q11-V15 PolarHBondContact O-N 2.96Å; Q11-V15 VanDerWaalsContact O-N 3.15Å; K12-V15 PolarHBondContact O-N 2.87Å; V15-G17 PolarHBondContact O-N 2.91Å; V15-S18 PolarHBondContact O-N 3.2Å; V15-S18 PolarHBondContact O-OG 2.99Å; V15-L19 HydrophobicContact CG1-CD1 4.17Å; V15-L19 PolarHBondContact O-N 3.34Å
16	L	70.2	Confident	70.9	Confident	114 Å²	114	103.8 Å²	103.8	60%	0.597	55%	0.548	S	S	*	.	H	α-helix	trans	-61.9	-41.7	175.4	-89	153.5	0	0	0	112.4	K12 L13 S18 L19 V20	K12-L16 PolarHBondContact O-N 3.21Å; L13-L16 PolarHBondContact O-N 3.16Å; L16-S18 PolarHBondContact O-N 3.37Å; L16-L19 PolarHBondContact O-N 3.43Å; L16-V20 WeakPolarHBondContact O-CG2 3Å; L16-V20 PolarHBondContact O-N 2.93Å
17	G	72	Confident	70.8	Confident	31 Å²	31	103.6 Å²	103.6	32%	0.32	55%	0.551	S	S	.	*	H	α-helix	trans	-61.6	-42.2	175	0	0	0	0	0	113	L13 F14 V15 L19 V20 I21	L13-G17 PolarHBondContact O-N 2.86Å; F14-G17 PolarHBondContact O-N 3.34Å; V15-G17 PolarHBondContact O-N 2.91Å; G17-L19 PolarHBondContact O-N 3.16Å; G17-V20 PolarHBondContact O-N 3.19Å; G17-I21 WeakPolarHBondContact O-CG1 3.44Å; G17-I21 PolarHBondContact O-N 2.97Å; G17-I21 VanDerWaalsContact O-N 3.1Å
18	S	70.9	Confident	70.9	Confident	68 Å²	68	105.3 Å²	105.3	48%	0.476	56%	0.555	S	S	.	*	H	α-helix	trans	-65.3	-35.3	179.2	70.5	0	0	0	0	113.6	F14 V15 L16 G22	F14-S18 PolarHBondContact O-N 3Å; V15-S18 PolarHBondContact O-N 3.2Å; V15-S18 PolarHBondContact O-OG 2.99Å; L16-S18 PolarHBondContact O-N 3.37Å; S18-G22 PolarHBondContact O-N 3.34Å
19	L	68.8	Low	70.5	Confident	109 Å²	109	104 Å²	104	57%	0.571	56%	0.558	S	S	*	*	H	α-helix	trans	-69.9	-37.6	177.6	-79.4	159.9	0	0	0	112.4	V15 L16 G17 S23	V15-L19 HydrophobicContact CG1-CD1 4.17Å; V15-L19 PolarHBondContact O-N 3.34Å; L16-L19 PolarHBondContact O-N 3.43Å; G17-L19 PolarHBondContact O-N 3.16Å; L19-S23 WeakPolarHBondContact O-CB 3.4Å; L19-S23 PolarHBondContact O-N 2.64Å; L19-S23 VanDerWaalsContact O-N 3.1Å; L19-S23 PolarHBondContact O-OG 2.94Å
20	V	75.6	Confident	69.7	Low	92 Å²	92	106.9 Å²	106.9	56%	0.558	56%	0.561	S	S	*	*	H	α-helix	trans	-69.8	-43.6	177.4	176	0	0	0	0	110.7	L16 G17 G22 S23 V24	L16-V20 WeakPolarHBondContact O-CG2 3Å; L16-V20 PolarHBondContact O-N 2.93Å; G17-V20 PolarHBondContact O-N 3.19Å; V20-G22 PolarHBondContact O-N 2.97Å; V20-S23 PolarHBondContact O-N 3.21Å; V20-V24 WeakPolarHBondContact O-CG2 3.4Å; V20-V24 PolarHBondContact O-N 3.25Å
21	I	75.4	Confident	68.9	Low	107 Å²	107	103 Å²	103	55%	0.549	56%	0.558	S	S	.	*	H	α-helix	trans	-64	-42.5	177.7	-65.6	166.5	0	0	0	111	G17 S23 V24 L25	G17-I21 WeakPolarHBondContact O-CG1 3.44Å; G17-I21 PolarHBondContact O-N 2.97Å; G17-I21 VanDerWaalsContact O-N 3.1Å; I21-S23 VanDerWaalsContact C-N 3.32Å; I21-S23 PolarHBondContact O-N 2.82Å; I21-V24 PolarHBondContact O-N 3.31Å; I21-L25 HydrophobicContact CG2-CD1 3.85Å; I21-L25 HydrophobicContact CG2-CG 4.49Å; I21-L25 WeakPolarHBondContact O-CB 3.33Å; I21-L25 WeakPolarHBondContact O-CG 3.48Å; I21-L25 PolarHBondContact O-N 3.09Å
22	G	71.3	Confident	67.5	Low	40 Å²	40	99.8 Å²	99.8	41%	0.412	56%	0.561	S	S	.	*	H	α-helix	trans	-61.6	-38.7	175.7	0	0	0	0	0	113.1	S18 V20 Y26	S18-G22 PolarHBondContact O-N 3.34Å; V20-G22 PolarHBondContact O-N 2.97Å; G22-Y26 WeakPolarHBondContact O-CB 3.42Å; G22-Y26 PolarHBondContact O-N 3.28Å
23	S	71.3	Confident	66.3	Low	70 Å²	70	99.1 Å²	99.1	49%	0.49	57%	0.568	S	S	.	*	H	α-helix	trans	-69.1	-38.4	178.1	-56.5	0	0	0	0	112.3	L19 V20 I21 L27	L19-S23 WeakPolarHBondContact O-CB 3.4Å; L19-S23 PolarHBondContact O-N 2.64Å; L19-S23 VanDerWaalsContact O-N 3.1Å; L19-S23 PolarHBondContact O-OG 2.94Å; V20-S23 PolarHBondContact O-N 3.21Å; I21-S23 VanDerWaalsContact C-N 3.32Å; I21-S23 PolarHBondContact O-N 2.82Å; S23-L27 PolarHBondContact O-N 3.16Å
24	V	73.3	Confident	64.6	Low	82 Å²	82	101 Å²	101	50%	0.497	58%	0.578	S	S	.	*	H	α-helix	trans	-70	-43.1	176.8	173.3	0	0	0	0	111.2	V20 I21 Y26 L27 V28	V20-V24 WeakPolarHBondContact O-CG2 3.4Å; V20-V24 PolarHBondContact O-N 3.25Å; I21-V24 PolarHBondContact O-N 3.31Å; V24-Y26 VanDerWaalsContact C-N 3.33Å; V24-Y26 PolarHBondContact O-N 2.81Å; V24-L27 PolarHBondContact O-N 3.17Å; V24-V28 HydrophobicContact CG1-CG2 4.42Å; V24-V28 WeakPolarHBondContact O-CG2 3.47Å; V24-V28 PolarHBondContact O-N 3.08Å
25	L	70.8	Confident	63	Low	113 Å²	113	100.2 Å²	100.2	59%	0.592	58%	0.582	S	S	*	*	H	α-helix	trans	-62.7	-38.1	176	-78.2	165.8	0	0	0	112.3	I21 V28 A29	I21-L25 HydrophobicContact CG2-CD1 3.85Å; I21-L25 HydrophobicContact CG2-CG 4.49Å; I21-L25 WeakPolarHBondContact O-CB 3.33Å; I21-L25 WeakPolarHBondContact O-CG 3.48Å; I21-L25 PolarHBondContact O-N 3.09Å; L25-V28 PolarHBondContact O-N 2.89Å; L25-A29 WeakPolarHBondContact O-CB 3.47Å; L25-A29 PolarHBondContact O-N 3.07Å
26	Y	70.9	Confident	61.3	Low	142 Å²	142	108.3 Å²	108.3	56%	0.557	60%	0.603	S	S	*	*	H	α-helix	trans	-64.3	-38.7	175	-177	-99.8	0	0	0	112.5	G22 V24 R30	G22-Y26 WeakPolarHBondContact O-CB 3.42Å; G22-Y26 PolarHBondContact O-N 3.28Å; V24-Y26 VanDerWaalsContact C-N 3.33Å; V24-Y26 PolarHBondContact O-N 2.81Å; Y26-R30 PolarHBondContact O-N 3.43Å; Y26-R30 VanDerWaalsContact O-N 3.16Å; Y26-R30 PolarHBondContact OH-NE 3.49Å
27	L	61.9	Low	59.5	Low	114 Å²	114	110.3 Å²	110.3	60%	0.597	61%	0.614	S	S	*	*	H	α-helix	trans	-68.1	-43	174.8	-97.3	149.2	0	0	0	112.2	S23 V24 A29 R30 V31	S23-L27 PolarHBondContact O-N 3.16Å; V24-L27 PolarHBondContact O-N 3.17Å; L27-A29 PolarHBondContact O-N 3.42Å; L27-R30 PolarHBondContact O-N 3.31Å; L27-V31 VanDerWaalsContact O-CG2 3.28Å; L27-V31 WeakPolarHBondContact O-CG2 3.45Å; L27-V31 PolarHBondContact O-N 3.45Å; L27-V31 VanDerWaalsContact O-N 3.08Å
28	V	66.4	Low	57.9	Low	95 Å²	95	117 Å²	117	58%	0.576	64%	0.637	S	S	*	*	H	α-helix	trans	-64.2	-40.8	176.8	174.5	0	0	0	0	111.2	V24 L25 R30 V31 G32	V24-V28 HydrophobicContact CG1-CG2 4.42Å; V24-V28 WeakPolarHBondContact O-CG2 3.47Å; V24-V28 PolarHBondContact O-N 3.08Å; L25-V28 PolarHBondContact O-N 2.89Å; V28-R30 VanDerWaalsContact C-N 3.33Å; V28-R30 PolarHBondContact O-N 3.5Å; V28-V31 PolarHBondContact O-N 3Å; V28-G32 PolarHBondContact O-N 3.42Å; V28-G32 VanDerWaalsContact O-N 3.1Å
29	A	61.8	Low	56.6	Low	68 Å²	68	118.4 Å²	118.4	56%	0.562	64%	0.644	S	S	*	*	H	α-helix	trans	-65.4	-32.9	177.1	0	0	0	0	0	113.2	L25 L27	L25-A29 WeakPolarHBondContact O-CB 3.47Å; L25-A29 PolarHBondContact O-N 3.07Å; L27-A29 PolarHBondContact O-N 3.42Å
30	R	53.6	Low	54.8	Low	172 Å²	172	120.4 Å²	120.4	65%	0.649	65%	0.654	S	S	*	*	H	α-helix	trans	-77.9	-27.9	175.6	-98.5	-163.3	178	-155.1	0	114	Y26 L27 V28 T33	Y26-R30 PolarHBondContact O-N 3.43Å; Y26-R30 VanDerWaalsContact O-N 3.16Å; Y26-R30 PolarHBondContact OH-NE 3.49Å; L27-R30 PolarHBondContact O-N 3.31Å; V28-R30 VanDerWaalsContact C-N 3.33Å; V28-R30 PolarHBondContact O-N 3.5Å; R30-T33 PolarHBondContact O-OG1 3.25Å
31	V	54.1	Low	52.6	Low	114 Å²	114	121.5 Å²	121.5	69%	0.691	67%	0.665	S	S	*	*	H	α-helix	trans	-80.2	-26.9	178.1	176	0	0	0	0	111.2	L27 V28 T33	L27-V31 VanDerWaalsContact O-CG2 3.28Å; L27-V31 WeakPolarHBondContact O-CG2 3.45Å; L27-V31 PolarHBondContact O-N 3.45Å; L27-V31 VanDerWaalsContact O-N 3.08Å; V28-V31 PolarHBondContact O-N 3Å; V31-T33 VanDerWaalsContact C-N 3.32Å; V31-T33 PolarHBondContact O-N 2.97Å
32	G	42.8	Very low	50.8	Low	66 Å²	66	121.4 Å²	121.4	68%	0.68	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.7	-0.6	179.7	0	0	0	0	0	117	V28	V28-G32 PolarHBondContact O-N 3.42Å; V28-G32 VanDerWaalsContact O-N 3.1Å
33	T	44.3	Very low	48.9	Very low	115 Å²	115	127.6 Å²	127.6	71%	0.706	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.5	16.9	-176.4	40.8	0	0	0	0	115	R30 V31	R30-T33 PolarHBondContact O-OG1 3.25Å; V31-T33 VanDerWaalsContact C-N 3.32Å; V31-T33 PolarHBondContact O-N 2.97Å
34	L	37.4	Very low	46.9	Very low	154 Å²	154	132.9 Å²	132.9	81%	0.806	71%	0.71	S	S	*	*			trans	-121.1	38.9	-178.4	-126.1	124.5	0	0	0	113.9
35	D	39.3	Very low	44.7	Very low	156 Å²	156	134.7 Å²	134.7	83%	0.834	73%	0.726	S	S	*	*			trans	-129.8	93.8	164.1	-92.6	-31.1	0	0	0	109.5
36	R	34.8	Very low	42.8	Very low	252 Å²	252	140.4 Å²	140.4	95%	0.951	74%	0.74	S	S	*	*			trans	-169.3	93.3	154.1	-107.1	172.3	-160.5	-154.6	4.9	109.6
37	L	33.7	Very low	40.8	Very low	156 Å²	156	143.7 Å²	143.7	82%	0.817	76%	0.757	S	S	*	*			trans	-101.4	123.6	161.5	-83.4	167.6	0	0	0	110
38	Q	37.7	Very low	39.2	Very low	171 Å²	171	147.4 Å²	147.4	80%	0.799	77%	0.771	S	S	*	*			trans	74.2	158.9	137.5	-70	-167.6	-22.9	0	0	119.1
39	P	42.8	Very low	37.5	Very low	98 Å²	98	148.6 Å²	148.6	64%	0.636	78%	0.781	S	S	*	*			cis	-151.8	168.1	29.3	43.4	-21.4	0	0	0	121.4
40	I	32.3	Very low	36.1	Very low	152 Å²	152	151 Å²	151	78%	0.779	79%	0.793	S	S	*	*			trans	72.6	129.1	141.7	-68.5	158.9	0	0	0	118.2
41	C	29.2	Very low	34.9	Very low	115 Å²	115	151 Å²	151	78%	0.777	80%	0.801	S	S	*	*				-172.3	-174.8	52.1	-136.2	0	0	0	0	112.2
42	P	37.8	Very low	33.9	Very low	105 Å²	105	151.4 Å²	151.4	68%	0.682	81%	0.806	S	S	*	*				-118.6	176.6	-113.3	38.4	-18.7	0	0	0	115.3
43	I	31.3	Very low	33.5	Very low	169 Å²	169	157.2 Å²	157.2	87%	0.867	82%	0.815	S	S	*	*			trans	179.2	141	132.8	-85.4	150.1	0	0	0	109.7
44	E	29.4	Very low	33	Very low	182 Å²	182	160.1 Å²	160.1	85%	0.85	82%	0.821	S	S	*	*			trans	-60.9	144.5	-171.6	-60.9	165.4	125.5	0	0	115.8
45	S	26.8	Very low	33.4	Very low	120 Å²	120	155.5 Å²	155.5	84%	0.839	80%	0.796	S	S	*	*				179.2	147.2	109.3	53.1	0	0	0	0	112.5
46	R	30.5	Very low	33.3	Very low	233 Å²	233	151.8 Å²	151.8	88%	0.879	78%	0.781	S	S	*	*			trans	-52	138.5	-170.4	-61.1	161.5	-163.9	-168	2.6	114.3
47	F	29	Very low	33.3	Very low	210 Å²	210	146.5 Å²	146.5	92%	0.921	77%	0.77	S	S	*	*				-175.6	111.5	129.4	-99.6	-74.7	0	0	0	108.6
48	H	29	Very low	33.3	Very low	192 Å²	192	148.6 Å²	148.6	89%	0.889	77%	0.768	S	S	*	*			trans	-80.1	130.2	175	-86.6	-72.9	0	0	0	110.8
49	P	29.9	Very low	33.6	Very low	121 Å²	121	142.2 Å²	142.2	79%	0.786	74%	0.74	S	S	*	*			trans	-87.1	115.2	157.4	13.6	3.5	0	0	0	108.9
50	S	31.9	Very low	33.5	Very low	117 Å²	117	141.7 Å²	141.7	82%	0.818	73%	0.732	S	S	*	*			trans	-67.8	132.4	174.5	50.7	0	0	0	0	111.6
51	E	29	Very low	33.7	Very low	173 Å²	173	140.5 Å²	140.5	81%	0.808	72%	0.723	S	S	*	*			trans	-49.9	158.7	172.1	-68.3	177.8	149.2	0	0	113.9	E53	E51-E53 PolarHBondContact O-N 3.46Å
52	P	32.7	Very low	34.3	Very low	123 Å²	123	138.9 Å²	138.9	80%	0.799	70%	0.703	S	S	*	*			trans	-63.4	108.6	170.4	26	-31.9	0	0	0	110.1	Q54	P52-Q54 PolarHBondContact O-N 2.88Å
53	E	35.2	Very low	34.7	Very low	187 Å²	187	136.6 Å²	136.6	87%	0.874	68%	0.682	S	S	*	*			trans	-50.2	107.5	177.1	-87.5	-173.9	146.8	0	0	111.4	E51 I55	E51-E53 PolarHBondContact O-N 3.46Å; E53-I55 PolarHBondContact O-N 3.06Å; E53-I55 VanDerWaalsContact O-N 3.14Å
54	Q	34.6	Very low	35.7	Very low	177 Å²	177	136.8 Å²	136.8	83%	0.827	67%	0.672	S	S	*	*			trans	-64	110.6	162.1	-69.9	-179	-0.7	0	0	108	P52 P56	P52-Q54 PolarHBondContact O-N 2.88Å; Q54-P56 WeakPolarHBondContact O-CD 3.48Å
55	I	45.6	Very low	36.2	Very low	57 Å²	57	130.7 Å²	130.7	29%	0.292	66%	0.658	S	S	.	*			trans	-52.6	112.4	171	-60.7	172.2	0	0	0	108	E53 T59	E53-I55 PolarHBondContact O-N 3.06Å; E53-I55 VanDerWaalsContact O-N 3.14Å; I55-T59 HydrophobicContact CG2-CG2 3.88Å
56	P	36.8	Very low	36.9	Very low	78 Å²	78	126.8 Å²	126.8	51%	0.506	63%	0.628	S	S	.	*			trans	-61.4	147	-174.1	-24.1	33.1	0	0	0	111.6	Q54 R58 T59	Q54-P56 WeakPolarHBondContact O-CD 3.48Å; P56-R58 HydrophobicContact CB-CB 4.31Å; P56-R58 PolarHBondContact O-N 3.35Å; P56-T59 WeakPolarHBondContact CD-OG1 3.43Å; P56-T59 WeakPolarHBondContact O-CA 3.4Å; P56-T59 VanDerWaalsContact O-CB 3.28Å; P56-T59 WeakPolarHBondContact O-CB 3.45Å; P56-T59 PolarHBondContact O-N 2.94Å; P56-T59 PolarHBondContact O-OG1 3.2Å; P56-T59 VanDerWaalsContact O-OG1 3.11Å
57	L	35.4	Very low	37.7	Very low	140 Å²	140	118.3 Å²	118.3	73%	0.733	60%	0.6	S	S	*	*	H	α-helix	trans	-51.4	-25.6	169.3	-93.1	147.3	0	0	0	112.8	T59 L60 Q61	L57-T59 VanDerWaalsContact C-N 3.32Å; L57-T59 PolarHBondContact O-N 3.44Å; L57-L60 WeakPolarHBondContact O-CB 3.33Å; L57-L60 PolarHBondContact O-N 3.41Å; L57-Q61 PolarHBondContact O-N 3.03Å
58	R	33	Very low	38.5	Very low	201 Å²	201	114.3 Å²	114.3	76%	0.758	58%	0.583	S	S	*	*	H	α-helix	trans	-58.9	-37.2	169.3	-98.7	-175.4	179.7	-171.8	0.9	113.1	P56 L60 Q61 F62	P56-R58 HydrophobicContact CB-CB 4.31Å; P56-R58 PolarHBondContact O-N 3.35Å; R58-L60 VanDerWaalsContact C-N 3.32Å; R58-L60 PolarHBondContact O-N 3.23Å; R58-Q61 CarbonylContact O-C 3.6Å; R58-Q61 PolarHBondContact O-N 3.31Å; R58-F62 VanDerWaalsContact O-CB 3.3Å; R58-F62 WeakPolarHBondContact O-CB 3.49Å; R58-F62 PolarHBondContact O-N 3Å
59	T	43.4	Very low	38.8	Very low	36 Å²	36	109.9 Å²	109.9	22%	0.221	56%	0.563	C	S	.	*	H	α-helix	trans	-67.7	-32.2	177.9	-39.3	0	0	0	0	111.9	I55 P56 L57 F62 K63	I55-T59 HydrophobicContact CG2-CG2 3.88Å; P56-T59 WeakPolarHBondContact CD-OG1 3.43Å; P56-T59 WeakPolarHBondContact O-CA 3.4Å; P56-T59 VanDerWaalsContact O-CB 3.28Å; P56-T59 WeakPolarHBondContact O-CB 3.45Å; P56-T59 PolarHBondContact O-N 2.94Å; P56-T59 PolarHBondContact O-OG1 3.2Å; P56-T59 VanDerWaalsContact O-OG1 3.11Å; L57-T59 VanDerWaalsContact C-N 3.32Å; L57-T59 PolarHBondContact O-N 3.44Å; T59-F62 WeakPolarHBondContact O-CB 3.33Å; T59-K63 PolarHBondContact O-N 3.03Å
60	L	40.5	Very low	39.5	Very low	87 Å²	87	105.9 Å²	105.9	46%	0.455	54%	0.535	S	S	.	.	H	α-helix	trans	-73.2	-37.4	172.3	-81	160.4	0	0	0	112.3	L57 R58	L57-L60 WeakPolarHBondContact O-CB 3.33Å; L57-L60 PolarHBondContact O-N 3.41Å; R58-L60 VanDerWaalsContact C-N 3.32Å; R58-L60 PolarHBondContact O-N 3.23Å
61	Q	37.7	Very low	40.1	Very low	127 Å²	127	106.2 Å²	106.2	59%	0.593	52%	0.518	S	S	*	.	H	α-helix	trans	-71.4	-31.4	171.4	-73.4	178	-17.7	0	0	112.3	L57 R58 K63 R64	L57-Q61 PolarHBondContact O-N 3.03Å; R58-Q61 CarbonylContact O-C 3.6Å; R58-Q61 PolarHBondContact O-N 3.31Å; Q61-K63 PolarHBondContact O-N 3.29Å; Q61-R64 WeakPolarHBondContact O-CB 3.02Å; Q61-R64 PolarHBondContact O-N 3.17Å
62	F	40.4	Very low	40.7	Very low	81 Å²	81	105.4 Å²	105.4	36%	0.355	51%	0.512	S	S	.	.	H	α-helix	trans	-60.7	-30.2	175.7	-132.4	-97.5	0	0	0	112.4	R58 T59 R64 L66 H83	R58-F62 VanDerWaalsContact O-CB 3.3Å; R58-F62 WeakPolarHBondContact O-CB 3.49Å; R58-F62 PolarHBondContact O-N 3Å; T59-F62 WeakPolarHBondContact O-CB 3.33Å; F62-R64 PolarHBondContact O-N 2.91Å; F62-L66 HydrophobicContact CE1-CD2 3.61Å; F62-L66 HydrophobicContact CZ-CD2 4.07Å; F62-H83 AromaticContact CE1-CD2 3.91Å; F62-H83 AromaticContact CE1-CE1 3.71Å; F62-H83 AromaticContact CE1-CG 3.78Å; F62-H83 AromaticContact CE1-ND1 3.63Å; F62-H83 AromaticContact CE1-NE2 3.85Å; F62-H83 AromaticContact CE2-CE1 3.76Å; F62-H83 AromaticContact CZ-CD2 3.83Å; F62-H83 AromaticContact CZ-CE1 2.99Å; F62-H83 WeakPolarHBondContact CZ-CE1 3.28Å; F62-H83 AromaticContact CZ-CG 3.86Å; F62-H83 AromaticContact CZ-ND1 3.35Å; F62-H83 VanDerWaalsContact CZ-ND1 3.35Å; F62-H83 WeakPolarHBondContact CZ-ND1 3.33Å; F62-H83 AromaticContact CZ-NE2 3.27Å; F62-H83 VanDerWaalsContact CZ-NE2 3.27Å; F62-H83 WeakPolarHBondContact CZ-NE2 3.44Å
63	K	47.6	Very low	41.3	Very low	57 Å²	57	102.7 Å²	102.7	25%	0.248	51%	0.506	C	S	.	.	H	α-helix	trans	-70.8	-14.5	175.2	-144.3	177.6	178	179.7	0	113.3	T59 Q61 L67 N110 L111 H112	T59-K63 PolarHBondContact O-N 3.03Å; Q61-K63 PolarHBondContact O-N 3.29Å; K63-L67 HydrophobicContact CB-CD1 4.42Å; K63-L67 HydrophobicContact CG-CD1 3.74Å; K63-N110 PolarHBondContact NZ-O 2.91Å; K63-N110 VanDerWaalsContact NZ-O 3.11Å; K63-L111 PolarHBondContact NZ-O 2.97Å; K63-H112 PolarHBondContact NZ-O 3.45Å
64	R	51	Low	41.9	Very low	173 Å²	173	98.7 Å²	98.7	65%	0.653	49%	0.491	S	S	*	.	H	α-helix	trans	-98.5	-26.4	-166.6	-85.7	179.3	167	176.2	-2.6	116.6	Q61 F62	Q61-R64 WeakPolarHBondContact O-CB 3.02Å; Q61-R64 PolarHBondContact O-N 3.17Å; F62-R64 PolarHBondContact O-N 2.91Å
65	G	40.2	Very low	43	Very low	55 Å²	55	91.2 Å²	91.2	57%	0.567	46%	0.459	S	S	*	.	H	α-helix	trans	-110.7	-51.6	-179	0	0	0	0	0	114	L67	G65-L67 PolarHBondContact O-N 3.41Å
66	L	42.2	Very low	44	Very low	37 Å²	37	91.8 Å²	91.8	19%	0.194	47%	0.466	C	S	.	.	H	α-helix	trans	-71.1	-33.5	-173.4	-149	75.2	0	0	0	112.6	F62 H68 E69 L70 Q79	F62-L66 HydrophobicContact CE1-CD2 3.61Å; F62-L66 HydrophobicContact CZ-CD2 4.07Å; L66-H68 PolarHBondContact O-N 3.23Å; L66-E69 PolarHBondContact O-N 3.22Å; L66-L70 HydrophobicContact CB-CD1 4.05Å; L66-L70 HydrophobicContact CD2-CD1 3.58Å; L66-L70 HydrophobicContact CD2-CG 4.49Å; L66-L70 HydrophobicContact CG-CD1 3.59Å; L66-L70 HydrophobicContact CG-CG 4.09Å; L66-L70 WeakPolarHBondContact O-CB 3.45Å; L66-L70 WeakPolarHBondContact O-CG 3.43Å; L66-L70 PolarHBondContact O-N 3.34Å; L66-Q79 HydrophobicContact CD1-CG 4.1Å
67	L	46.6	Very low	45.5	Very low	56 Å²	56	96.4 Å²	96.4	29%	0.293	48%	0.478	S	S	.	.	H	α-helix	trans	-77.6	-11.8	-169.2	-115.8	148.5	0	0	0	115.4	K63 G65 R71	K63-L67 HydrophobicContact CB-CD1 4.42Å; K63-L67 HydrophobicContact CG-CD1 3.74Å; G65-L67 PolarHBondContact O-N 3.41Å; L67-R71 HydrophobicContact CD2-CG 4.32Å; L67-R71 WeakPolarHBondContact O-CB 3.47Å; L67-R71 WeakPolarHBondContact O-CD 3.32Å; L67-R71 WeakPolarHBondContact O-CG 3.39Å; L67-R71 PolarHBondContact O-N 3Å
68	H	44.8	Very low	47	Very low	125 Å²	125	97.1 Å²	97.1	58%	0.579	48%	0.477	S	S	*	.	H	α-helix	trans	-76.2	-42.6	170.3	-174.9	-82.3	0	0	0	111.2	L66	L66-H68 PolarHBondContact O-N 3.23Å
69	E	36.3	Very low	48.7	Very low	99 Å²	99	89.8 Å²	89.8	46%	0.463	45%	0.452	S	S	.	.	H	α-helix	trans	-71.3	-45	175.5	-73.5	-65.2	129.1	0	0	111.7	L66 R71 K72	L66-E69 PolarHBondContact O-N 3.22Å; E69-R71 VanDerWaalsContact C-N 3.26Å; E69-R71 PolarHBondContact O-N 2.92Å; E69-K72 PolarHBondContact O-N 3.12Å
70	L	43.8	Very low	50.3	Low	37 Å²	37	89.9 Å²	89.9	19%	0.194	45%	0.45	C	S	.	.	H	α-helix	trans	-63.1	-29.8	175.3	-63.8	172.4	0	0	0	112.8	L66 K72 G73 A75 L85	L66-L70 HydrophobicContact CB-CD1 4.05Å; L66-L70 HydrophobicContact CD2-CD1 3.58Å; L66-L70 HydrophobicContact CD2-CG 4.49Å; L66-L70 HydrophobicContact CG-CD1 3.59Å; L66-L70 HydrophobicContact CG-CG 4.09Å; L66-L70 WeakPolarHBondContact O-CB 3.45Å; L66-L70 WeakPolarHBondContact O-CG 3.43Å; L66-L70 PolarHBondContact O-N 3.34Å; L70-K72 PolarHBondContact O-N 3.24Å; L70-G73 PolarHBondContact O-N 2.99Å; L70-G73 VanDerWaalsContact O-N 3.11Å; L70-A75 HydrophobicContact CD2-CB 3.07Å; L70-A75 HydrophobicContact CG-CB 4.49Å; L70-L85 HydrophobicContact CD1-CD1 4.24Å
71	R	45.4	Very low	51.8	Low	124 Å²	124	95.4 Å²	95.4	47%	0.468	47%	0.465	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-22.7	178.6	-103	174.4	170	167.2	-2.8	114.1	L67 E69 G73 N110	L67-R71 HydrophobicContact CD2-CG 4.32Å; L67-R71 WeakPolarHBondContact O-CB 3.47Å; L67-R71 WeakPolarHBondContact O-CD 3.32Å; L67-R71 WeakPolarHBondContact O-CG 3.39Å; L67-R71 PolarHBondContact O-N 3Å; E69-R71 VanDerWaalsContact C-N 3.26Å; E69-R71 PolarHBondContact O-N 2.92Å; R71-G73 VanDerWaalsContact C-N 3.31Å; R71-N110 PolarHBondContact NH2-ND2 3.35Å
72	K	41.7	Very low	53.6	Low	157 Å²	157	95.6 Å²	95.6	68%	0.683	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.3	0.2	175.3	-78.6	-172.5	176.2	179.5	0	113.3	E69 L70 N74	E69-K72 PolarHBondContact O-N 3.12Å; L70-K72 PolarHBondContact O-N 3.24Å; K72-N74 VanDerWaalsContact C-N 3.33Å
73	G	45.8	Very low	55.4	Low	65 Å²	65	94 Å²	94	67%	0.67	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.8	9.5	-174.3	0	0	0	0	0	113.9	L70 R71 A75	L70-G73 PolarHBondContact O-N 2.99Å; L70-G73 VanDerWaalsContact O-N 3.11Å; R71-G73 VanDerWaalsContact C-N 3.31Å; G73-A75 PolarHBondContact O-N 3.3Å
74	N	46.1	Very low	57.1	Low	104 Å²	104	97 Å²	97	56%	0.556	48%	0.482	S	S	*	.			trans	-100.6	44.1	-179	-71.5	-0.3	0	0	0	111.7	K72 T76	K72-N74 VanDerWaalsContact C-N 3.33Å; N74-T76 PolarHBondContact O-N 3.49Å; N74-T76 VanDerWaalsContact O-N 3.17Å
75	A	58.1	Low	58.9	Low	20 Å²	20	89.6 Å²	89.6	17%	0.165	46%	0.455	C	S	.	.			trans	-64.6	114.4	165.1	0	0	0	0	0	108.6	L70 G73 I80	L70-A75 HydrophobicContact CD2-CB 3.07Å; L70-A75 HydrophobicContact CG-CB 4.49Å; G73-A75 PolarHBondContact O-N 3.3Å; A75-I80 HydrophobicContact CB-CD1 3.9Å; A75-I80 HydrophobicContact CB-CG1 3.76Å
76	T	66.2	Low	61.3	Low	69 Å²	69	90.1 Å²	90.1	42%	0.423	45%	0.447	S	S	.	.			trans	-63.7	146	173.3	64.3	0	0	0	0	108.4	N74 E78 Q79 I80	N74-T76 PolarHBondContact O-N 3.49Å; N74-T76 VanDerWaalsContact O-N 3.17Å; T76-E78 PolarHBondContact O-N 3.09Å; T76-Q79 PolarHBondContact O-N 2.91Å; T76-Q79 VanDerWaalsContact OG1-CG 3.3Å; T76-Q79 WeakPolarHBondContact OG1-CG 3.48Å; T76-Q79 PolarHBondContact OG1-N 2.88Å; T76-I80 PolarHBondContact O-N 2.94Å; T76-I80 VanDerWaalsContact O-N 3.16Å
77	K	69.2	Low	63.8	Low	174 Å²	174	91.3 Å²	91.3	76%	0.757	45%	0.452	S	S	*	.	H	α-helix	trans	-53.5	-30.5	178.4	-71.5	-179.7	178.7	176.3	0	111.8	R81	K77-R81 WeakPolarHBondContact O-CG 3.31Å; K77-R81 PolarHBondContact O-N 2.81Å
78	E	67.4	Low	66.1	Low	155 Å²	155	90.2 Å²	90.2	72%	0.724	45%	0.445	S	S	*	.	H	α-helix	trans	-66	-46.6	174.6	-66.9	-179.3	158.8	0	0	112.6	T76 I80 R81 L82	T76-E78 PolarHBondContact O-N 3.09Å; E78-I80 VanDerWaalsContact C-N 3.32Å; E78-I80 PolarHBondContact O-N 3.18Å; E78-R81 PolarHBondContact O-N 2.64Å; E78-L82 VanDerWaalsContact O-CB 3.25Å; E78-L82 WeakPolarHBondContact O-CB 3.49Å; E78-L82 PolarHBondContact O-N 2.86Å
79	Q	69.2	Low	68.6	Low	48 Å²	48	87 Å²	87	22%	0.224	43%	0.432	C	S	.	.	H	α-helix	trans	-63.5	-37.3	177.4	-72.2	169.2	-13	0	0	112.4	L66 T76 H83	L66-Q79 HydrophobicContact CD1-CG 4.1Å; T76-Q79 PolarHBondContact O-N 2.91Å; T76-Q79 VanDerWaalsContact OG1-CG 3.3Å; T76-Q79 WeakPolarHBondContact OG1-CG 3.48Å; T76-Q79 PolarHBondContact OG1-N 2.88Å; Q79-H83 PolarHBondContact O-CD2 3.21Å; Q79-H83 PolarHBondContact O-N 3.35Å
80	I	75.3	Confident	71.6	Confident	38 Å²	38	82.4 Å²	82.4	20%	0.195	41%	0.411	C	S	.	.	H	α-helix	trans	-61.6	-47	176.2	-65.4	169.9	0	0	0	110.2	A75 T76 E78 N84 L85 F144	A75-I80 HydrophobicContact CB-CD1 3.9Å; A75-I80 HydrophobicContact CB-CG1 3.76Å; T76-I80 PolarHBondContact O-N 2.94Å; T76-I80 VanDerWaalsContact O-N 3.16Å; E78-I80 VanDerWaalsContact C-N 3.32Å; E78-I80 PolarHBondContact O-N 3.18Å; I80-N84 PolarHBondContact O-N 3.22Å; I80-L85 HydrophobicContact CG2-CB 4.36Å; I80-L85 WeakPolarHBondContact CG2-O 3.25Å; I80-L85 PolarHBondContact O-N 3.03Å; I80-F144 HydrophobicContact CD1-CD2 4.44Å; I80-F144 HydrophobicContact CD1-CE1 3.94Å; I80-F144 HydrophobicContact CD1-CE2 3.86Å; I80-F144 HydrophobicContact CD1-CZ 3.59Å; I80-F144 HydrophobicContact CG1-CD1 4.4Å; I80-F144 HydrophobicContact CG1-CE1 4.23Å; I80-F144 HydrophobicContact CG1-CZ 4.32Å; I80-F144 HydrophobicContact CG2-CD1 4.31Å; I80-F144 HydrophobicContact CG2-CE1 3.9Å
81	R	72.7	Confident	74.2	Confident	203 Å²	203	86.9 Å²	86.9	77%	0.766	43%	0.425	S	S	*	.	H	α-helix	trans	-67.7	-45.5	178.8	-74	179.7	176.6	-179.9	-2	112.2	K77 E78 H83 N84	K77-R81 WeakPolarHBondContact O-CG 3.31Å; K77-R81 PolarHBondContact O-N 2.81Å; E78-R81 PolarHBondContact O-N 2.64Å; R81-H83 VanDerWaalsContact C-N 3.27Å; R81-H83 PolarHBondContact O-N 3.25Å; R81-N84 PolarHBondContact O-N 2.79Å; R81-N84 PolarHBondContact O-OD1 3.29Å
82	L	76.6	Confident	76.7	Confident	130 Å²	130	81 Å²	81	68%	0.681	40%	0.403	S	S	*	.	H	α-helix	trans	-67.4	-28	-173.7	-162.1	136.4	0	0	0	112.9	E78	E78-L82 VanDerWaalsContact O-CB 3.25Å; E78-L82 WeakPolarHBondContact O-CB 3.49Å; E78-L82 PolarHBondContact O-N 2.86Å
83	H	76.2	Confident	79.4	Confident	47 Å²	47	73.5 Å²	73.5	22%	0.218	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.2	10.3	179.5	-63.6	-56.6	0	0	0	114.4	F62 Q79 R81 L85 L146	F62-H83 AromaticContact CE1-CD2 3.91Å; F62-H83 AromaticContact CE1-CE1 3.71Å; F62-H83 AromaticContact CE1-CG 3.78Å; F62-H83 AromaticContact CE1-ND1 3.63Å; F62-H83 AromaticContact CE1-NE2 3.85Å; F62-H83 AromaticContact CE2-CE1 3.76Å; F62-H83 AromaticContact CZ-CD2 3.83Å; F62-H83 AromaticContact CZ-CE1 2.99Å; F62-H83 WeakPolarHBondContact CZ-CE1 3.28Å; F62-H83 AromaticContact CZ-CG 3.86Å; F62-H83 AromaticContact CZ-ND1 3.35Å; F62-H83 VanDerWaalsContact CZ-ND1 3.35Å; F62-H83 WeakPolarHBondContact CZ-ND1 3.33Å; F62-H83 AromaticContact CZ-NE2 3.27Å; F62-H83 VanDerWaalsContact CZ-NE2 3.27Å; F62-H83 WeakPolarHBondContact CZ-NE2 3.44Å; Q79-H83 PolarHBondContact O-CD2 3.21Å; Q79-H83 PolarHBondContact O-N 3.35Å; R81-H83 VanDerWaalsContact C-N 3.27Å; R81-H83 PolarHBondContact O-N 3.25Å; H83-L85 HydrophobicContact CB-CD1 4.4Å; H83-L85 HydrophobicContact CB-CD2 4.27Å; H83-L85 HydrophobicContact CB-CG 3.9Å; H83-L85 PolarHBondContact O-N 3.4Å; H83-L85 VanDerWaalsContact O-N 3.16Å; H83-L146 WeakPolarHBondContact O-CD2 3.42Å
84	N	83.8	Confident	82	Confident	120 Å²	120	70.4 Å²	70.4	64%	0.642	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.3	42	-177.3	-66.7	-35.3	0	0	0	112.6	I80 R81	I80-N84 PolarHBondContact O-N 3.22Å; R81-N84 PolarHBondContact O-N 2.79Å; R81-N84 PolarHBondContact O-OD1 3.29Å
85	L	88.8	Confident	84.5	Confident	18 Å²	18	65.4 Å²	65.4	9%	0.094	31%	0.312	C	S	.	.			trans	-74.7	134.6	-178.6	-64.7	175.9	0	0	0	110.1	L70 I80 H83 F144 L146	L70-L85 HydrophobicContact CD1-CD1 4.24Å; I80-L85 HydrophobicContact CG2-CB 4.36Å; I80-L85 WeakPolarHBondContact CG2-O 3.25Å; I80-L85 PolarHBondContact O-N 3.03Å; H83-L85 HydrophobicContact CB-CD1 4.4Å; H83-L85 HydrophobicContact CB-CD2 4.27Å; H83-L85 HydrophobicContact CB-CG 3.9Å; H83-L85 PolarHBondContact O-N 3.4Å; H83-L85 VanDerWaalsContact O-N 3.16Å; L85-F144 HydrophobicContact CB-CB 4.1Å; L85-F144 HydrophobicContact CB-CD1 3.94Å; L85-F144 HydrophobicContact CB-CG 4.39Å; L85-F144 HydrophobicContact CD1-CB 4.42Å; L85-L146 HydrophobicContact CD2-CD2 3.73Å; L85-L146 HydrophobicContact CD2-CG 4Å
86	V	91.1	Very high	86.4	Confident	66 Å²	66	64.5 Å²	64.5	40%	0.4	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	148.5	179.6	-70.4	0	0	0	0	111.1	Q88 S145	V86-Q88 HydrophobicContact CB-CG 4.44Å; V86-Q88 HydrophobicContact CG2-CG 3.59Å; V86-Q88 PolarHBondContact O-N 3.22Å; V86-S145 PolarHBondContact N-O 3.32Å; V86-S145 PolarHBondContact O-N 3.42Å; V86-S145 PolarHBondContact O-OG 2.9Å
87	Q	94.1	Very high	87.9	Confident	62 Å²	62	61.2 Å²	61.2	29%	0.29	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	108.4	166.5	-64.7	-177.5	-75.8	0	0	108.1	R139 G140 M142 F144	Q87-R139 HydrophobicContact CB-CG 4.29Å; Q87-R139 WeakPolarHBondContact O-CD 3.44Å; Q87-R139 WeakPolarHBondContact O-CG 3.4Å; Q87-G140 VanDerWaalsContact NE2-C 3.3Å; Q87-G140 PolarHBondContact NE2-O 2.96Å; Q87-M142 WeakPolarHBondContact CG-O 3.49Å; Q87-M142 PolarHBondContact NE2-O 3.38Å; Q87-F144 HydrophobicContact CG-CD1 3.94Å; Q87-F144 HydrophobicContact CG-CD2 4.27Å; Q87-F144 HydrophobicContact CG-CE1 3.82Å; Q87-F144 HydrophobicContact CG-CE2 4.14Å; Q87-F144 HydrophobicContact CG-CG 4.17Å; Q87-F144 HydrophobicContact CG-CZ 3.91Å
88	Q	95	Very high	89.3	Confident	34 Å²	34	57.4 Å²	57.4	16%	0.159	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-101.1	141.7	-179.4	-57.9	-176.9	78.3	0	0	109.8	V86 M142 S145 L146	V86-Q88 HydrophobicContact CB-CG 4.44Å; V86-Q88 HydrophobicContact CG2-CG 3.59Å; V86-Q88 PolarHBondContact O-N 3.22Å; Q88-M142 VanDerWaalsContact O-CB 3.27Å; Q88-M142 WeakPolarHBondContact O-CB 3.44Å; Q88-M142 VanDerWaalsContact O-CG 3.24Å; Q88-M142 WeakPolarHBondContact O-CG 3.22Å; Q88-S145 PolarHBondContact NE2-OG 2.73Å; Q88-L146 PolarHBondContact NE2-O 2.8Å
89	L	98.3	Very high	90.8	Very high	58 Å²	58	51.6 Å²	51.6	30%	0.304	24%	0.237	S	C	.	.	P	Polyproline II helix	trans	-56.7	148.6	165.4	-70.2	176.3	0	0	0	110	R91 I135 Y138 R139 M171	L89-R91 PolarHBondContact O-N 3.44Å; L89-I135 HydrophobicContact CD1-CD1 4Å; L89-I135 HydrophobicContact CD1-CG1 3.8Å; L89-I135 HydrophobicContact CD2-CD1 3.75Å; L89-I135 HydrophobicContact CD2-CG1 4.01Å; L89-Y138 HydrophobicContact CD2-CD1 3.62Å; L89-Y138 HydrophobicContact CD2-CE1 4.19Å; L89-R139 HydrophobicContact CD2-CB 3.81Å; L89-R139 HydrophobicContact CD2-CG 4.46Å; L89-R139 HydrophobicContact CG-CB 4.34Å; L89-M171 HydrophobicContact CD1-CG 4.29Å; L89-M171 HydrophobicContact CD1-SD 4.28Å; L89-M171 HydrophobicContact CD2-SD 4.28Å
90	P	98.3	Very high	92.2	Very high	2 Å²	2	49.4 Å²	49.4	1%	0.013	23%	0.227	C	C	.	.	P	Polyproline II helix	trans	-64.5	135.8	-179.8	26.4	-32.2	0	0	0	110.6	I93 Y138 M142 T151 E153 I175	P90-I93 HydrophobicContact CB-CG1 4.12Å; P90-I93 HydrophobicContact CG-CD1 4.12Å; P90-I93 HydrophobicContact CG-CG1 3.98Å; P90-Y138 HydrophobicContact CG-CE1 3.83Å; P90-Y138 WeakPolarHBondContact CG-OH 3.46Å; P90-M142 HydrophobicContact CG-SD 4.4Å; P90-T151 VanDerWaalsContact CA-O 3.26Å; P90-T151 WeakPolarHBondContact CA-O 3.26Å; P90-T151 HydrophobicContact CB-CG2 4.3Å; P90-E153 HydrophobicContact CB-CB 4.27Å; P90-E153 HydrophobicContact CG-CB 4.33Å; P90-I175 WeakPolarHBondContact O-CD1 3.32Å
91	R	98.3	Very high	93.3	Very high	130 Å²	130	48.9 Å²	48.9	49%	0.491	23%	0.231	S	C	.	.	S	Bend	trans	-90.6	-12.2	169.8	-60	179.3	171.8	156.4	0.8	112.1	L89 I150 T151 I175 K176	L89-R91 PolarHBondContact O-N 3.44Å; R91-I150 HydrophobicContact CB-CD1 3.78Å; R91-I150 HydrophobicContact CB-CG1 3.91Å; R91-T151 PolarHBondContact N-O 2.65Å; R91-T151 VanDerWaalsContact N-O 3.14Å; R91-I175 WeakPolarHBondContact O-CG1 3.43Å; R91-K176 PolarHBondContact O-N 3.07Å
92	A	98.8	Very high	94.5	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	146.3	168.2	0	0	0	0	0	111.9	I150 I152 E153 K176 L272	A92-I150 HydrophobicContact CB-CD1 3.98Å; A92-I152 HydrophobicContact CB-CG1 4.35Å; A92-I152 WeakPolarHBondContact O-CA 3.44Å; A92-E153 PolarHBondContact O-N 3.45Å; A92-K176 WeakPolarHBondContact CA-O 3.38Å; A92-K176 HydrophobicContact CB-CB 4.15Å; A92-L272 HydrophobicContact CB-CD2 3.58Å
93	I	98.9	Very high	95.5	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	130.3	178.4	-56.4	175.8	0	0	0	109.6	P90 I95 F125 E153 Y158 I168 M171 I175 K176 L177 L178	P90-I93 HydrophobicContact CB-CG1 4.12Å; P90-I93 HydrophobicContact CG-CD1 4.12Å; P90-I93 HydrophobicContact CG-CG1 3.98Å; I93-I95 HydrophobicContact CB-CG2 4.04Å; I93-I95 HydrophobicContact CG2-CG2 3.63Å; I93-I95 PolarHBondContact O-N 2.99Å; I93-F125 HydrophobicContact CD1-CE2 4.06Å; I93-E153 WeakPolarHBondContact CA-O 3.38Å; I93-Y158 HydrophobicContact CG2-CD2 3.97Å; I93-Y158 HydrophobicContact CG2-CE2 4.04Å; I93-I168 HydrophobicContact CD1-CD1 4.21Å; I93-I168 HydrophobicContact CD1-CG2 4.36Å; I93-M171 HydrophobicContact CD1-CE 4.26Å; I93-I175 HydrophobicContact CD1-CD1 3.59Å; I93-I175 HydrophobicContact CG1-CD1 3.72Å; I93-K176 PolarHBondContact N-O 3.04Å; I93-K176 VanDerWaalsContact N-O 3.08Å; I93-L177 HydrophobicContact CB-CD2 4.34Å; I93-L178 PolarHBondContact O-N 2.87Å
94	I	98.9	Very high	96.5	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	95.9	167	-56.2	168.6	0	0	0	107.9	T102 L105 L106 L109 I152 E153 K154 S155 L178	I94-T102 HydrophobicContact CG2-CG2 3.94Å; I94-L105 HydrophobicContact CD1-CB 4.37Å; I94-L105 HydrophobicContact CD1-CD2 3.92Å; I94-L105 HydrophobicContact CD1-CG 3.91Å; I94-L105 HydrophobicContact CG1-CD2 4.18Å; I94-L105 HydrophobicContact CG2-CD2 4.25Å; I94-L106 HydrophobicContact CD1-CB 3.87Å; I94-L106 HydrophobicContact CD1-CD1 3.87Å; I94-L106 HydrophobicContact CD1-CG 4.49Å; I94-L109 HydrophobicContact CD1-CD1 4.39Å; I94-I152 HydrophobicContact CD1-CG2 4.23Å; I94-I152 HydrophobicContact CG1-CG2 4.14Å; I94-E153 PolarHBondContact N-O 3.19Å; I94-K154 HydrophobicContact CB-CB 3.95Å; I94-K154 HydrophobicContact CB-CG 3.76Å; I94-K154 HydrophobicContact CD1-CB 4.34Å; I94-K154 HydrophobicContact CD1-CG 4.3Å; I94-K154 HydrophobicContact CG2-CG 3.85Å; I94-K154 WeakPolarHBondContact O-CA 3.39Å; I94-S155 PolarHBondContact O-N 3.3Å; I94-L178 WeakPolarHBondContact CA-O 3.49Å; I94-L178 HydrophobicContact CB-CB 4.38Å; I94-L178 HydrophobicContact CG1-CB 3.88Å; I94-L178 HydrophobicContact CG1-CD1 3.89Å
95	I	98.9	Very high	97.2	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	-16.1	-171.2	58.2	171.7	0	0	0	113.2	I93 S155 P156 Y158 F159 I168 L177 L178 I179 W240 F249	I93-I95 HydrophobicContact CB-CG2 4.04Å; I93-I95 HydrophobicContact CG2-CG2 3.63Å; I93-I95 PolarHBondContact O-N 2.99Å; I95-S155 VanDerWaalsContact O-O 3.12Å; I95-P156 CarbonylContact O-C 3.48Å; I95-P156 WeakPolarHBondContact O-CA 3.47Å; I95-Y158 HydrophobicContact CG2-CD2 4.29Å; I95-F159 HydrophobicContact CD1-CD2 4.18Å; I95-F159 VanDerWaalsContact O-CB 3.31Å; I95-F159 WeakPolarHBondContact O-CB 3.42Å; I95-F159 PolarHBondContact O-N 2.89Å; I95-I168 HydrophobicContact CG2-CD1 4.4Å; I95-L177 HydrophobicContact CD1-CB 4.3Å; I95-L177 HydrophobicContact CG2-CD2 3.82Å; I95-L178 PolarHBondContact N-O 3.41Å; I95-I179 HydrophobicContact CD1-CD1 4.04Å; I95-I179 HydrophobicContact CD1-CG1 3.71Å; I95-I179 HydrophobicContact CG1-CG1 3.73Å; I95-W240 HydrophobicContact CB-CH2 3.81Å; I95-W240 HydrophobicContact CB-CZ2 3.99Å; I95-W240 HydrophobicContact CD1-CD2 3.73Å; I95-W240 HydrophobicContact CD1-CE3 3.73Å; I95-W240 HydrophobicContact CD1-CH2 3.54Å; I95-W240 HydrophobicContact CD1-CZ2 3.56Å; I95-W240 HydrophobicContact CD1-CZ3 3.64Å; I95-W240 HydrophobicContact CG1-CH2 4.27Å; I95-W240 HydrophobicContact CG1-CZ2 4.31Å; I95-W240 HydrophobicContact CG2-CH2 3.53Å; I95-W240 HydrophobicContact CG2-CZ2 4.23Å; I95-W240 HydrophobicContact CG2-CZ3 4.05Å; I95-F249 HydrophobicContact CD1-CE1 4.15Å
96	G	98.6	Very high	97.7	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	172.1	-174.9	-173.9	0	0	0	0	0	113.5	T102 I179 I180	G96-T102 WeakPolarHBondContact O-CG2 3.37Å; G96-I179 CarbonylContact O-C 3.6Å; G96-I179 WeakPolarHBondContact O-CA 3.48Å; G96-I180 WeakPolarHBondContact O-CG2 3.27Å; G96-I180 PolarHBondContact O-N 2.88Å
97	V	98.4	Very high	98	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	12%	0.123	C	C	.	.			cis	-95.7	151.7	-5	-169.2	0	0	0	0	110.1	K99 G100 T102 F159 I179 I180 V181 T230 Y233	V97-K99 PolarHBondContact O-N 2.69Å; V97-G100 PolarHBondContact O-N 3.36Å; V97-T102 WeakPolarHBondContact O-CG2 3.39Å; V97-F159 HydrophobicContact CB-CD1 4.24Å; V97-F159 HydrophobicContact CG1-CD1 3.96Å; V97-F159 HydrophobicContact CG1-CE1 4.36Å; V97-F159 HydrophobicContact CG2-CD1 3.46Å; V97-F159 VanDerWaalsContact CG2-CD1 3.46Å; V97-F159 HydrophobicContact CG2-CE1 3.46Å; V97-F159 VanDerWaalsContact CG2-CE1 3.46Å; V97-F159 HydrophobicContact CG2-CG 4.08Å; V97-F159 HydrophobicContact CG2-CZ 4.13Å; V97-I179 HydrophobicContact CG2-CG2 3.89Å; V97-I180 PolarHBondContact N-O 3.06Å; V97-V181 HydrophobicContact CG2-CG1 3.98Å; V97-T230 HydrophobicContact CG1-CG2 3.59Å; V97-Y233 HydrophobicContact CB-CE1 4.31Å; V97-Y233 HydrophobicContact CG1-CE1 4.15Å; V97-Y233 HydrophobicContact CG2-CD1 4.04Å; V97-Y233 HydrophobicContact CG2-CE1 4.05Å
98	R	98.4	Very high	98.2	Very high	95 Å²	95	23.7 Å²	23.7	36%	0.358	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.1	128.5	170.5	-177.8	-174	157.8	140.8	-5.2	109.4	G100 P156 R187 D191	R98-G100 PolarHBondContact O-N 3.09Å; R98-P156 HydrophobicContact CB-CB 4.13Å; R98-R187 WeakPolarHBondContact O-CD 3.43Å; R98-R187 PolarHBondContact O-NH1 2.72Å; R98-D191 IonicContact CZ-OD1 3.47Å; R98-D191 IonicContact NE-OD1 3.12Å; R98-D191 PolarHBondContact NE-OD1 2.85Å; R98-D191 IonicContact NE-OD2 2.66Å; R98-D191 PolarHBondContact NE-OD2 2.94Å; R98-D191 IonicContact NH2-OD1 3.17Å; R98-D191 PolarHBondContact NH2-OD1 3.49Å
99	K	98.3	Very high	98.4	Very high	33 Å²	33	22.2 Å²	22.2	14%	0.143	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	69	3.1	-173.8	-48.8	-48.2	-52.4	-119.4	0	117.1	V97 G101 R187 S190 D191	V97-K99 PolarHBondContact O-N 2.69Å; K99-G101 VanDerWaalsContact C-N 3.27Å; K99-G101 PolarHBondContact O-N 3.12Å; K99-R187 HydrophobicContact CB-CG 4.1Å; K99-S190 WeakPolarHBondContact CE-O 3.37Å; K99-S190 VanDerWaalsContact CE-OG 3.31Å; K99-S190 WeakPolarHBondContact CE-OG 3.36Å; K99-S190 PolarHBondContact NZ-O 3.11Å; K99-S190 PolarHBondContact NZ-OG 3.47Å; K99-D191 HydrophobicContact CG-CB 3.9Å
100	G	98	Very high	98.3	Very high	1 Å²	1	20 Å²	20	1%	0.01	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-14.5	174.1	0	0	0	0	0	114.7	V97 R98 I180 R182	V97-G100 PolarHBondContact O-N 3.36Å; R98-G100 PolarHBondContact O-N 3.09Å; G100-I180 VanDerWaalsContact O-CD1 3.3Å; G100-I180 WeakPolarHBondContact O-CD1 3.34Å; G100-I180 VanDerWaalsContact O-CG1 3.3Å; G100-I180 WeakPolarHBondContact O-CG1 3.41Å; G100-R182 WeakPolarHBondContact O-CD 3.43Å; G100-R182 WeakPolarHBondContact O-CG 3.18Å
101	G	98.1	Very high	98.2	Very high	27 Å²	27	20.7 Å²	20.7	28%	0.278	10%	0.096	S	C	.	.	T	Hydrogen-bonded Turn	trans	111.6	15.3	-175.8	0	0	0	0	0	114.2	K99 R103 A104 L105	K99-G101 VanDerWaalsContact C-N 3.27Å; K99-G101 PolarHBondContact O-N 3.12Å; G101-R103 PolarHBondContact O-N 3.16Å; G101-A104 WeakPolarHBondContact O-CA 3.37Å; G101-A104 WeakPolarHBondContact O-CB 3.1Å; G101-A104 PolarHBondContact O-N 3.03Å; G101-L105 PolarHBondContact O-N 2.88Å
102	T	98.5	Very high	98.1	Very high	11 Å²	11	14.5 Å²	14.5	7%	0.067	7%	0.073	C	C	.	.	H	α-helix	trans	-49.1	-38.4	-176.4	59.9	0	0	0	0	114.1	I94 G96 V97 L106 K154 P156 I180	I94-T102 HydrophobicContact CG2-CG2 3.94Å; G96-T102 WeakPolarHBondContact O-CG2 3.37Å; V97-T102 WeakPolarHBondContact O-CG2 3.39Å; T102-L106 WeakPolarHBondContact O-CB 3.3Å; T102-L106 PolarHBondContact O-N 3.06Å; T102-K154 WeakPolarHBondContact O-CD 3.46Å; T102-P156 HydrophobicContact CG2-CB 4.11Å; T102-P156 HydrophobicContact CG2-CG 3.96Å; T102-P156 VanDerWaalsContact OG1-CG 3.32Å; T102-P156 WeakPolarHBondContact OG1-CG 3.28Å; T102-I180 HydrophobicContact CG2-CG2 3.46Å; T102-I180 VanDerWaalsContact CG2-CG2 3.46Å
103	R	97.8	Very high	97.9	Very high	77 Å²	77	15.5 Å²	15.5	29%	0.291	8%	0.079	S	C	.	.	H	α-helix	trans	-70.6	-38.2	176.6	-176.8	58.4	168.4	-146.3	-5.1	112.5	G101 E107 S119	G101-R103 PolarHBondContact O-N 3.16Å; R103-E107 HydrophobicContact CG-CG 4.35Å; R103-E107 IonicContact CZ-OE1 3.61Å; R103-E107 IonicContact NE-OE1 3.59Å; R103-E107 PolarHBondContact NE-OE1 3.24Å; R103-E107 VanDerWaalsContact NE-OE1 3.12Å; R103-E107 IonicContact NH1-OE1 3.86Å; R103-E107 IonicContact NH2-OE1 2.88Å; R103-E107 PolarHBondContact NH2-OE1 3Å; R103-E107 VanDerWaalsContact O-CG 3.26Å; R103-E107 WeakPolarHBondContact O-CG 3.37Å; R103-E107 PolarHBondContact O-N 3.16Å; R103-E107 VanDerWaalsContact O-N 3.08Å; R103-S119 PolarHBondContact NH1-O 3.37Å; R103-S119 VanDerWaalsContact NH1-O 3.11Å
104	A	98.1	Very high	97.8	Very high	19 Å²	19	16 Å²	16	16%	0.157	8%	0.083	C	C	.	.	H	α-helix	trans	-62.5	-51	176.1	0	0	0	0	0	109.6	G101 L106 E107 M108 L257 L304	G101-A104 WeakPolarHBondContact O-CA 3.37Å; G101-A104 WeakPolarHBondContact O-CB 3.1Å; G101-A104 PolarHBondContact O-N 3.03Å; A104-L106 PolarHBondContact O-N 2.75Å; A104-E107 PolarHBondContact O-N 3.31Å; A104-M108 WeakPolarHBondContact O-CB 3.46Å; A104-M108 VanDerWaalsContact O-CG 3.31Å; A104-M108 WeakPolarHBondContact O-CG 3Å; A104-M108 PolarHBondContact O-N 3.45Å; A104-L257 HydrophobicContact CB-CD2 4.36Å; A104-L304 HydrophobicContact CB-CD1 3.58Å
105	L	98.8	Very high	97.7	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-53.1	-51.4	176.3	-179.4	60.4	0	0	0	112	I94 G101 E107 M108 L109 I180 V252 L257 L265 V268	I94-L105 HydrophobicContact CD1-CB 4.37Å; I94-L105 HydrophobicContact CD1-CD2 3.92Å; I94-L105 HydrophobicContact CD1-CG 3.91Å; I94-L105 HydrophobicContact CG1-CD2 4.18Å; I94-L105 HydrophobicContact CG2-CD2 4.25Å; G101-L105 PolarHBondContact O-N 2.88Å; L105-E107 PolarHBondContact O-N 3.49Å; L105-M108 PolarHBondContact O-N 3.34Å; L105-L109 HydrophobicContact CD1-CD1 3.91Å; L105-L109 HydrophobicContact CD1-CD2 4.46Å; L105-L109 HydrophobicContact CD1-CG 3.99Å; L105-L109 HydrophobicContact CG-CD1 3.96Å; L105-L109 HydrophobicContact CG-CG 4.41Å; L105-L109 WeakPolarHBondContact O-CB 3.25Å; L105-L109 VanDerWaalsContact O-CG 3.28Å; L105-L109 WeakPolarHBondContact O-CG 3.44Å; L105-L109 PolarHBondContact O-N 3.48Å; L105-I180 HydrophobicContact CB-CD1 4.19Å; L105-I180 HydrophobicContact CD2-CB 4.12Å; L105-I180 HydrophobicContact CD2-CG2 4.29Å; L105-V252 HydrophobicContact CD1-CG1 4.38Å; L105-V252 HydrophobicContact CD1-CG2 4.32Å; L105-V252 HydrophobicContact CD2-CB 4.42Å; L105-V252 HydrophobicContact CD2-CG2 3.91Å; L105-L257 HydrophobicContact CB-CD2 4.12Å; L105-L265 HydrophobicContact CD1-CD2 4.13Å; L105-V268 HydrophobicContact CD1-CG2 4.26Å
106	L	98.6	Very high	97.6	Very high	3 Å²	3	17 Å²	17	2%	0.016	9%	0.089	C	C	.	.	H	α-helix	trans	-61.6	-42.1	-179.7	-172.5	71.5	0	0	0	113.1	I94 T102 A104 N110 K117 I152 K154	I94-L106 HydrophobicContact CD1-CB 3.87Å; I94-L106 HydrophobicContact CD1-CD1 3.87Å; I94-L106 HydrophobicContact CD1-CG 4.49Å; T102-L106 WeakPolarHBondContact O-CB 3.3Å; T102-L106 PolarHBondContact O-N 3.06Å; A104-L106 PolarHBondContact O-N 2.75Å; L106-N110 WeakPolarHBondContact O-CB 3.43Å; L106-N110 PolarHBondContact O-N 3.43Å; L106-K117 HydrophobicContact CD1-CB 3.71Å; L106-K117 HydrophobicContact CD2-CB 4.15Å; L106-K117 HydrophobicContact CD2-CD 4.09Å; L106-K117 HydrophobicContact CG-CB 3.82Å; L106-K117 HydrophobicContact CG-CD 3.9Å; L106-K117 HydrophobicContact CG-CG 4.42Å; L106-I152 HydrophobicContact CD1-CB 4.18Å; L106-I152 HydrophobicContact CD1-CG2 3.72Å; L106-K154 HydrophobicContact CB-CD 4.1Å; L106-K154 HydrophobicContact CD1-CB 4.28Å; L106-K154 HydrophobicContact CD2-CB 3.89Å; L106-K154 HydrophobicContact CD2-CD 4.12Å; L106-K154 HydrophobicContact CG-CB 4.47Å
107	E	97.7	Very high	97.5	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-71.4	-36.4	-179.9	-65.8	-72.3	150.4	0	0	111.7	R103 A104 L105 N110 K117 L294 K302 L304	R103-E107 HydrophobicContact CG-CG 4.35Å; R103-E107 IonicContact CZ-OE1 3.61Å; R103-E107 IonicContact NE-OE1 3.59Å; R103-E107 PolarHBondContact NE-OE1 3.24Å; R103-E107 VanDerWaalsContact NE-OE1 3.12Å; R103-E107 IonicContact NH1-OE1 3.86Å; R103-E107 IonicContact NH2-OE1 2.88Å; R103-E107 PolarHBondContact NH2-OE1 3Å; R103-E107 VanDerWaalsContact O-CG 3.26Å; R103-E107 WeakPolarHBondContact O-CG 3.37Å; R103-E107 PolarHBondContact O-N 3.16Å; R103-E107 VanDerWaalsContact O-N 3.08Å; A104-E107 PolarHBondContact O-N 3.31Å; L105-E107 PolarHBondContact O-N 3.49Å; E107-N110 PolarHBondContact O-N 2.92Å; E107-K117 WeakPolarHBondContact OE1-CE 3.35Å; E107-K117 IonicContact OE1-NZ 3.41Å; E107-K117 PolarHBondContact OE1-NZ 3.2Å; E107-K117 IonicContact OE2-NZ 3.65Å; E107-L294 HydrophobicContact CB-CD1 3.71Å; E107-K302 IonicContact OE1-NZ 3.08Å; E107-K302 IonicContact OE2-NZ 2.67Å; E107-K302 PolarHBondContact OE2-NZ 3.36Å; E107-L304 HydrophobicContact CB-CD2 4.01Å; E107-L304 HydrophobicContact CG-CD2 3.88Å
108	M	98.4	Very high	97.4	Very high	8 Å²	8	18.4 Å²	18.4	4%	0.039	10%	0.096	C	C	.	.	H	α-helix	trans	-66.7	-46.7	174.6	-73.8	169.9	171.7	0	0	111.7	A104 L105 N110 L111 L257 P261 L265 L283 L294	A104-M108 WeakPolarHBondContact O-CB 3.46Å; A104-M108 VanDerWaalsContact O-CG 3.31Å; A104-M108 WeakPolarHBondContact O-CG 3Å; A104-M108 PolarHBondContact O-N 3.45Å; L105-M108 PolarHBondContact O-N 3.34Å; M108-N110 PolarHBondContact O-N 3.34Å; M108-L111 WeakPolarHBondContact O-CB 3.42Å; M108-L111 WeakPolarHBondContact O-CD1 3.3Å; M108-L111 VanDerWaalsContact O-CG 3.29Å; M108-L111 WeakPolarHBondContact O-CG 3.41Å; M108-L111 PolarHBondContact O-N 3.2Å; M108-L257 HydrophobicContact SD-CD1 3.85Å; M108-L257 HydrophobicContact SD-CD2 4.21Å; M108-L257 HydrophobicContact SD-CG 4.01Å; M108-P261 HydrophobicContact CE-CB 3.92Å; M108-P261 HydrophobicContact CE-CG 4.37Å; M108-P261 HydrophobicContact SD-CB 4.13Å; M108-L265 HydrophobicContact CB-CD1 3.8Å; M108-L265 HydrophobicContact CB-CD2 3.63Å; M108-L265 HydrophobicContact CB-CG 4.37Å; M108-L265 HydrophobicContact CG-CD1 4.2Å; M108-L265 HydrophobicContact SD-CD1 4.1Å; M108-L265 HydrophobicContact SD-CD2 4.39Å; M108-L283 HydrophobicContact CE-CD2 4.5Å; M108-L283 HydrophobicContact CG-CD2 4.35Å; M108-L294 HydrophobicContact CE-CD2 4.33Å; M108-L294 HydrophobicContact CG-CD2 3.54Å
109	L	98.1	Very high	96.9	Very high	2 Å²	2	17.8 Å²	17.8	1%	0.01	11%	0.106	C	C	.	.	H	α-helix	trans	-60.1	-32	176.3	-69.3	174.9	0	0	0	112.5	I94 L105 L111 H112 V115 I152 L178 L265 V268	I94-L109 HydrophobicContact CD1-CD1 4.39Å; L105-L109 HydrophobicContact CD1-CD1 3.91Å; L105-L109 HydrophobicContact CD1-CD2 4.46Å; L105-L109 HydrophobicContact CD1-CG 3.99Å; L105-L109 HydrophobicContact CG-CD1 3.96Å; L105-L109 HydrophobicContact CG-CG 4.41Å; L105-L109 WeakPolarHBondContact O-CB 3.25Å; L105-L109 VanDerWaalsContact O-CG 3.28Å; L105-L109 WeakPolarHBondContact O-CG 3.44Å; L105-L109 PolarHBondContact O-N 3.48Å; L109-L111 PolarHBondContact O-N 2.93Å; L109-L111 VanDerWaalsContact O-N 3.16Å; L109-H112 WeakPolarHBondContact O-CB 3.24Å; L109-H112 PolarHBondContact O-N 3.26Å; L109-V115 HydrophobicContact CB-CG1 4.38Å; L109-V115 WeakPolarHBondContact O-CB 3.43Å; L109-I152 HydrophobicContact CD1-CD1 4.16Å; L109-L178 HydrophobicContact CD1-CD1 3.99Å; L109-L265 HydrophobicContact CD2-CD2 4.09Å; L109-L265 HydrophobicContact CG-CD2 4.44Å; L109-V268 HydrophobicContact CD1-CG1 3.93Å; L109-V268 HydrophobicContact CD2-CB 3.96Å; L109-V268 HydrophobicContact CD2-CG1 3.48Å; L109-V268 VanDerWaalsContact CD2-CG1 3.48Å; L109-V268 HydrophobicContact CG-CG1 4.33Å
110	N	96.3	Very high	96.6	Very high	12 Å²	12	23 Å²	23	6%	0.064	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-6.1	177.2	-169.3	86.2	0	0	0	113.8	K63 R71 L106 E107 M108 H112 K117	K63-N110 PolarHBondContact NZ-O 2.91Å; K63-N110 VanDerWaalsContact NZ-O 3.11Å; R71-N110 PolarHBondContact NH2-ND2 3.35Å; L106-N110 WeakPolarHBondContact O-CB 3.43Å; L106-N110 PolarHBondContact O-N 3.43Å; E107-N110 PolarHBondContact O-N 2.92Å; M108-N110 PolarHBondContact O-N 3.34Å; N110-H112 VanDerWaalsContact C-N 3.26Å; N110-K117 HydrophobicContact CB-CB 4.41Å; N110-K117 HydrophobicContact CB-CD 3.74Å; N110-K117 HydrophobicContact CB-CG 4.19Å; N110-K117 WeakPolarHBondContact OD1-CG 3.47Å; N110-K117 PolarHBondContact OD1-N 3.19Å
111	L	96	Very high	96.6	Very high	16 Å²	16	26.6 Å²	26.6	8%	0.084	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-36.3	164.9	-67.4	165.2	0	0	0	110.6	K63 M108 L109 I278 N282 L283 L294 F296	K63-L111 PolarHBondContact NZ-O 2.97Å; M108-L111 WeakPolarHBondContact O-CB 3.42Å; M108-L111 WeakPolarHBondContact O-CD1 3.3Å; M108-L111 VanDerWaalsContact O-CG 3.29Å; M108-L111 WeakPolarHBondContact O-CG 3.41Å; M108-L111 PolarHBondContact O-N 3.2Å; L109-L111 PolarHBondContact O-N 2.93Å; L109-L111 VanDerWaalsContact O-N 3.16Å; L111-I278 HydrophobicContact CB-CG1 4.18Å; L111-I278 HydrophobicContact CD1-CG2 4.39Å; L111-N282 HydrophobicContact CD1-CB 3.68Å; L111-N282 HydrophobicContact CD2-CB 4.2Å; L111-N282 HydrophobicContact CG-CB 4.41Å; L111-L283 HydrophobicContact CD1-CD2 3.96Å; L111-L294 HydrophobicContact CD1-CD2 4.1Å; L111-L294 HydrophobicContact CD2-CB 4.39Å; L111-F296 HydrophobicContact CD2-CD1 3.8Å; L111-F296 HydrophobicContact CD2-CE1 3.76Å; L111-F296 HydrophobicContact CD2-CG 4.22Å; L111-F296 HydrophobicContact CD2-CZ 4.13Å
112	H	96.6	Very high	96.6	Very high	1 Å²	1	26.2 Å²	26.2	1%	0.005	14%	0.139	C	C	.	.	S	Bend	trans	-60	135	179.7	-167.9	-83.5	0	0	0	111.7	K63 L109 N110 A114 V115 E269 P275 R277 I278	K63-H112 PolarHBondContact NZ-O 3.45Å; L109-H112 WeakPolarHBondContact O-CB 3.24Å; L109-H112 PolarHBondContact O-N 3.26Å; N110-H112 VanDerWaalsContact C-N 3.26Å; H112-A114 VanDerWaalsContact C-N 3.32Å; H112-A114 VanDerWaalsContact CE1-CB 3.43Å; H112-A114 WeakPolarHBondContact CE1-CB 3.33Å; H112-A114 WeakPolarHBondContact ND1-CB 3.39Å; H112-A114 PolarHBondContact ND1-N 3.03Å; H112-A114 PolarHBondContact O-N 2.68Å; H112-V115 HydrophobicContact CB-CB 4.13Å; H112-V115 HydrophobicContact CB-CG2 3.75Å; H112-V115 PolarHBondContact O-N 2.85Å; H112-E269 IonicContact CD2-OE1 3.85Å; H112-E269 PolarHBondContact CD2-OE1 3.44Å; H112-E269 VanDerWaalsContact CD2-OE1 3.31Å; H112-P275 PolarHBondContact NE2-O 3.28Å; H112-R277 WeakPolarHBondContact NE2-CG 3.23Å; H112-I278 HydrophobicContact CB-CD1 4.22Å; H112-I278 HydrophobicContact CB-CG1 4.14Å
113	P	94.8	Very high	96.6	Very high	21 Å²	21	28.7 Å²	28.7	14%	0.136	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-31	-177.3	25	-33.9	0	0	0	113.6	V115 Q149 R277	P113-V115 VanDerWaalsContact C-N 3.35Å; P113-Q149 PolarHBondContact O-NE2 3.45Å; P113-R277 HydrophobicContact CG-CB 4.27Å; P113-R277 HydrophobicContact CG-CG 4.14Å
114	A	96.8	Very high	96.6	Very high	11 Å²	11	25.1 Å²	25.1	9%	0.091	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-1.9	178.6	0	0	0	0	0	114.3	H112 Q149 I150 L274	H112-A114 VanDerWaalsContact C-N 3.32Å; H112-A114 VanDerWaalsContact CE1-CB 3.43Å; H112-A114 WeakPolarHBondContact CE1-CB 3.33Å; H112-A114 WeakPolarHBondContact ND1-CB 3.39Å; H112-A114 PolarHBondContact ND1-N 3.03Å; H112-A114 PolarHBondContact O-N 2.68Å; A114-Q149 CarbonylContact O-C 3.55Å; A114-Q149 VanDerWaalsContact O-CA 3.23Å; A114-Q149 WeakPolarHBondContact O-CA 3.25Å; A114-Q149 WeakPolarHBondContact O-CB 3.32Å; A114-I150 WeakPolarHBondContact O-CG2 3.47Å; A114-I150 PolarHBondContact O-N 2.87Å; A114-L274 HydrophobicContact CB-CD2 4.03Å
115	V	97.3	Very high	96.7	Very high	2 Å²	2	24.3 Å²	24.3	1%	0.012	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	131	-178.7	174.3	0	0	0	0	110.3	L109 H112 P113 I150 I152 L274	L109-V115 HydrophobicContact CB-CG1 4.38Å; L109-V115 WeakPolarHBondContact O-CB 3.43Å; H112-V115 HydrophobicContact CB-CB 4.13Å; H112-V115 HydrophobicContact CB-CG2 3.75Å; H112-V115 PolarHBondContact O-N 2.85Å; P113-V115 VanDerWaalsContact C-N 3.35Å; V115-I150 HydrophobicContact CB-CG2 4.48Å; V115-I150 HydrophobicContact CG2-CG2 3.83Å; V115-I152 HydrophobicContact CG1-CD1 3.76Å; V115-I152 HydrophobicContact CG1-CG1 4.16Å; V115-I152 HydrophobicContact CG2-CD1 4.3Å; V115-L274 HydrophobicContact CG2-CD1 3.59Å
116	V	97.2	Very high	96.6	Very high	19 Å²	19	25.8 Å²	25.8	12%	0.115	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	119.1	169.8	-168.7	0	0	0	0	108.7	P143 Q149 I150 T151 I152	V116-P143 HydrophobicContact CB-CG 4.29Å; V116-P143 HydrophobicContact CG1-CB 3.66Å; V116-P143 HydrophobicContact CG1-CG 3.44Å; V116-P143 VanDerWaalsContact CG1-CG 3.44Å; V116-Q149 HydrophobicContact CG2-CB 3.97Å; V116-Q149 VanDerWaalsContact CG2-CD 3.49Å; V116-Q149 HydrophobicContact CG2-CG 4.3Å; V116-I150 PolarHBondContact N-O 3.48Å; V116-T151 CarbonylContact O-C 3.53Å; V116-T151 VanDerWaalsContact O-CA 3.28Å; V116-T151 WeakPolarHBondContact O-CA 3.34Å; V116-I152 PolarHBondContact O-N 3Å
117	K	96	Very high	96.6	Very high	28 Å²	28	28.7 Å²	28.7	12%	0.122	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	143.5	-179.4	73.2	-177.2	-179.6	85.1	0	112.8	L106 E107 N110 I152	L106-K117 HydrophobicContact CD1-CB 3.71Å; L106-K117 HydrophobicContact CD2-CB 4.15Å; L106-K117 HydrophobicContact CD2-CD 4.09Å; L106-K117 HydrophobicContact CG-CB 3.82Å; L106-K117 HydrophobicContact CG-CD 3.9Å; L106-K117 HydrophobicContact CG-CG 4.42Å; E107-K117 WeakPolarHBondContact OE1-CE 3.35Å; E107-K117 IonicContact OE1-NZ 3.41Å; E107-K117 PolarHBondContact OE1-NZ 3.2Å; E107-K117 IonicContact OE2-NZ 3.65Å; N110-K117 HydrophobicContact CB-CB 4.41Å; N110-K117 HydrophobicContact CB-CD 3.74Å; N110-K117 HydrophobicContact CB-CG 4.19Å; N110-K117 WeakPolarHBondContact OD1-CG 3.47Å; N110-K117 PolarHBondContact OD1-N 3.19Å; K117-I152 WeakPolarHBondContact CA-O 3.31Å
118	A	95.5	Very high	96.7	Very high	1 Å²	1	33.3 Å²	33.3	1%	0.008	18%	0.177	C	C	.	.			trans	-61	140	158.2	0	0	0	0	0	110	I152 E153	A118-I152 PolarHBondContact N-O 3.25Å; A118-E153 HydrophobicContact CB-CB 4.27Å; A118-E153 HydrophobicContact CB-CG 4.04Å
119	S	87.3	Confident	96.7	Very high	81 Å²	81	41 Å²	41	57%	0.566	21%	0.21	S	C	*	.	S	Bend	trans	-75.1	-34.8	-173.1	57.8	0	0	0	0	112.9	R103	R103-S119 PolarHBondContact NH1-O 3.37Å; R103-S119 VanDerWaalsContact NH1-O 3.11Å
120	Q	92.5	Very high	96.7	Very high	142 Å²	142	42.3 Å²	42.3	66%	0.664	22%	0.217	S	C	*	.	S	Bend	trans	-123.8	167.2	-173.9	-59	-174.5	23.3	0	0	111.6	I122	Q120-I122 PolarHBondContact O-N 2.79Å
121	E	97.8	Very high	96.8	Very high	77 Å²	77	45 Å²	45	36%	0.36	23%	0.227	S	C	.	.			trans	-76.7	116.5	167.6	-42.9	-166	173.8	0	0	106.8	H123 K154 P156	E121-H123 IonicContact OE2-CE1 2.74Å; E121-H123 IonicContact OE2-NE2 3.88Å; E121-K154 VanDerWaalsContact CG-NZ 3.29Å; E121-K154 IonicContact OE1-NZ 2.82Å; E121-K154 PolarHBondContact OE1-NZ 3.02Å; E121-K154 IonicContact OE2-NZ 3.31Å; E121-P156 WeakPolarHBondContact OE2-CD 3.44Å
122	I	97.9	Very high	96.9	Very high	20 Å²	20	48.4 Å²	48.4	10%	0.103	26%	0.257	C	S	.	.			trans	-80.9	-24.9	-170.4	-52.7	-53.9	0	0	0	111.3	Q120 F124 N130 W137 Y138 K141 M142 E153 S155	Q120-I122 PolarHBondContact O-N 2.79Å; I122-F124 HydrophobicContact CG2-CB 4.22Å; I122-F124 PolarHBondContact O-N 2.68Å; I122-N130 PolarHBondContact O-ND2 3.16Å; I122-W137 HydrophobicContact CG2-CH2 4.21Å; I122-W137 HydrophobicContact CG2-CZ3 4.02Å; I122-Y138 HydrophobicContact CB-CD2 4.5Å; I122-Y138 HydrophobicContact CB-CE2 4.09Å; I122-Y138 HydrophobicContact CG1-CE2 4.43Å; I122-Y138 HydrophobicContact CG2-CD2 3.81Å; I122-Y138 HydrophobicContact CG2-CE2 3.91Å; I122-K141 HydrophobicContact CD1-CB 4.12Å; I122-K141 HydrophobicContact CG2-CB 4.01Å; I122-K141 HydrophobicContact CG2-CG 4.07Å; I122-M142 HydrophobicContact CG1-CE 3.91Å; I122-E153 HydrophobicContact CB-CG 4.46Å; I122-E153 HydrophobicContact CG1-CG 3.81Å; I122-S155 PolarHBondContact N-OG 3.23Å
123	H	98.5	Very high	97	Very high	62 Å²	62	55.1 Å²	55.1	29%	0.287	28%	0.282	S	S	.	.			trans	48.9	48.5	-177.5	-67.4	-73.5	0	0	0	111.8	E121 D126 N127 N130 S155	E121-H123 IonicContact OE2-CE1 2.74Å; E121-H123 IonicContact OE2-NE2 3.88Å; H123-D126 WeakPolarHBondContact CA-OD1 3.37Å; H123-D126 WeakPolarHBondContact CB-OD1 3.26Å; H123-D126 IonicContact CE1-OD2 3.21Å; H123-D126 IonicContact CG-OD1 2.87Å; H123-D126 IonicContact CG-OD2 2.65Å; H123-D126 IonicContact ND1-OD1 3.72Å; H123-D126 PolarHBondContact ND1-OD1 3.38Å; H123-D126 IonicContact ND1-OD2 2.64Å; H123-D126 PolarHBondContact ND1-OD2 2.82Å; H123-N127 HydrophobicContact CB-CB 4.5Å; H123-N127 VanDerWaalsContact O-CB 3.28Å; H123-N127 WeakPolarHBondContact O-CB 3.38Å; H123-N130 WeakPolarHBondContact O-CB 3.12Å; H123-N130 PolarHBondContact O-ND2 3.37Å; H123-S155 PolarHBondContact N-OG 2.82Å
124	F	98.8	Very high	97.2	Very high	3 Å²	3	55.5 Å²	55.5	1%	0.013	29%	0.291	C	S	.	.			trans	-81.2	-49.3	-177.6	177	-117.1	0	0	0	110.8	I122 N130 Y131 G134 I135 W137 Y138 Y158	I122-F124 HydrophobicContact CG2-CB 4.22Å; I122-F124 PolarHBondContact O-N 2.68Å; F124-N130 HydrophobicContact CD2-CB 4.43Å; F124-N130 WeakPolarHBondContact CD2-O 3.24Å; F124-N130 VanDerWaalsContact CE2-O 3.29Å; F124-N130 WeakPolarHBondContact CE2-O 3.39Å; F124-Y131 HydrophobicContact CD1-CD2 4.33Å; F124-Y131 AromaticContact CE1-CD2 3.85Å; F124-Y131 HydrophobicContact CE1-CD2 3.85Å; F124-Y131 HydrophobicContact CE1-CE2 4.09Å; F124-Y131 HydrophobicContact CE2-CD2 4.28Å; F124-Y131 AromaticContact CZ-CD2 3.82Å; F124-Y131 HydrophobicContact CZ-CD2 3.82Å; F124-Y131 HydrophobicContact CZ-CE2 4.25Å; F124-Y131 WeakPolarHBondContact O-CB 3.48Å; F124-Y131 PolarHBondContact O-N 2.72Å; F124-G134 WeakPolarHBondContact CE2-O 3.33Å; F124-G134 WeakPolarHBondContact CZ-O 3.43Å; F124-I135 HydrophobicContact CE1-CD1 4.18Å; F124-W137 HydrophobicContact CB-CZ3 4.43Å; F124-W137 AromaticContact CD2-CE3 3.7Å; F124-W137 HydrophobicContact CD2-CE3 3.7Å; F124-W137 AromaticContact CD2-CZ3 3.69Å; F124-W137 HydrophobicContact CD2-CZ3 3.69Å; F124-W137 HydrophobicContact CE2-CE3 4.06Å; F124-W137 HydrophobicContact CE2-CZ3 4.48Å; F124-W137 HydrophobicContact CG-CZ3 4.47Å; F124-Y138 HydrophobicContact CB-CD2 3.38Å; F124-Y138 HydrophobicContact CB-CE2 3.61Å; F124-Y138 HydrophobicContact CB-CG 4.09Å; F124-Y138 AromaticContact CD1-CD1 3.79Å; F124-Y138 HydrophobicContact CD1-CD1 3.79Å; F124-Y138 AromaticContact CD1-CD2 3.7Å; F124-Y138 HydrophobicContact CD1-CD2 3.7Å; F124-Y138 HydrophobicContact CD1-CE1 4.26Å; F124-Y138 HydrophobicContact CD1-CE2 4.17Å; F124-Y138 AromaticContact CD1-CG 3.48Å; F124-Y138 HydrophobicContact CD1-CG 3.48Å; F124-Y138 VanDerWaalsContact CD1-CG 3.48Å; F124-Y138 HydrophobicContact CD2-CD2 4.16Å; F124-Y138 HydrophobicContact CD2-CG 4.19Å; F124-Y138 HydrophobicContact CE1-CD1 4.05Å; F124-Y138 AromaticContact CE1-CG 3.89Å; F124-Y138 HydrophobicContact CE1-CG 3.89Å; F124-Y138 HydrophobicContact CG-CD1 4.4Å; F124-Y138 AromaticContact CG-CD2 3.48Å; F124-Y138 HydrophobicContact CG-CD2 3.48Å; F124-Y138 VanDerWaalsContact CG-CD2 3.48Å; F124-Y138 HydrophobicContact CG-CE2 4.09Å; F124-Y138 AromaticContact CG-CG 3.65Å; F124-Y138 HydrophobicContact CG-CG 3.65Å; F124-Y138 HydrophobicContact CZ-CG 4.39Å; F124-Y158 PolarHBondContact N-OH 3.45Å
125	F	98.8	Very high	97.2	Very high	1 Å²	1	58.1 Å²	58.1	0%	0.004	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-22.3	-173.1	-60.1	-70.3	0	0	0	113.9	I93 Y131 Y138 Y158 V164 R167 I168 M171	I93-F125 HydrophobicContact CD1-CE2 4.06Å; F125-Y131 HydrophobicContact CD1-CD2 4.15Å; F125-Y131 AromaticContact CD1-CE2 3.98Å; F125-Y131 HydrophobicContact CD1-CE2 3.98Å; F125-Y131 HydrophobicContact CE1-CE2 4.31Å; F125-Y138 AromaticContact CE2-CE1 3.89Å; F125-Y138 HydrophobicContact CE2-CE1 3.89Å; F125-Y138 AromaticContact CE2-CZ 3.83Å; F125-Y138 HydrophobicContact CZ-CD1 4.39Å; F125-Y138 AromaticContact CZ-CE1 3.94Å; F125-Y138 HydrophobicContact CZ-CE1 3.94Å; F125-Y158 HydrophobicContact CB-CD1 4.4Å; F125-Y158 HydrophobicContact CB-CE1 4Å; F125-Y158 HydrophobicContact CD2-CD2 4.35Å; F125-Y158 HydrophobicContact CD2-CE1 4.35Å; F125-Y158 AromaticContact CD2-CE2 3.62Å; F125-Y158 HydrophobicContact CD2-CE2 3.62Å; F125-Y158 AromaticContact CD2-CZ 3.62Å; F125-Y158 HydrophobicContact CE2-CE2 4.37Å; F125-V164 HydrophobicContact CB-CB 4.31Å; F125-V164 HydrophobicContact CB-CG1 3.82Å; F125-V164 HydrophobicContact CB-CG2 3.91Å; F125-V164 WeakPolarHBondContact O-CG2 3.35Å; F125-R167 HydrophobicContact CB-CB 4.43Å; F125-R167 HydrophobicContact CD1-CB 3.67Å; F125-R167 HydrophobicContact CE1-CB 4.41Å; F125-R167 HydrophobicContact CG-CB 4.47Å; F125-R167 VanDerWaalsContact O-CD 3.24Å; F125-R167 WeakPolarHBondContact O-CD 3.49Å; F125-R167 PolarHBondContact O-NH1 3.24Å; F125-I168 HydrophobicContact CB-CG1 4.29Å; F125-I168 HydrophobicContact CD1-CG1 3.87Å; F125-I168 HydrophobicContact CD2-CD1 3.85Å; F125-I168 HydrophobicContact CD2-CG1 3.45Å; F125-I168 VanDerWaalsContact CD2-CG1 3.45Å; F125-I168 HydrophobicContact CE1-CG1 3.96Å; F125-I168 HydrophobicContact CE2-CD1 4.19Å; F125-I168 HydrophobicContact CE2-CG1 3.6Å; F125-I168 HydrophobicContact CG-CD1 4.28Å; F125-I168 HydrophobicContact CG-CG1 3.59Å; F125-I168 HydrophobicContact CZ-CG1 3.83Å; F125-M171 HydrophobicContact CE1-CB 4.38Å; F125-M171 HydrophobicContact CE1-SD 4.49Å; F125-M171 HydrophobicContact CE2-CE 4.46Å; F125-M171 HydrophobicContact CZ-CB 4.37Å; F125-M171 HydrophobicContact CZ-CE 3.86Å; F125-M171 HydrophobicContact CZ-SD 3.67Å
126	D	98.5	Very high	97.3	Very high	31 Å²	31	62.7 Å²	62.7	17%	0.166	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.7	5.6	-176.7	66.3	-22.4	0	0	0	113.9	H123 A157 Y158 T161 V164	H123-D126 WeakPolarHBondContact CA-OD1 3.37Å; H123-D126 WeakPolarHBondContact CB-OD1 3.26Å; H123-D126 IonicContact CE1-OD2 3.21Å; H123-D126 IonicContact CG-OD1 2.87Å; H123-D126 IonicContact CG-OD2 2.65Å; H123-D126 IonicContact ND1-OD1 3.72Å; H123-D126 PolarHBondContact ND1-OD1 3.38Å; H123-D126 IonicContact ND1-OD2 2.64Å; H123-D126 PolarHBondContact ND1-OD2 2.82Å; D126-A157 WeakPolarHBondContact OD2-CB 3.49Å; D126-Y158 HydrophobicContact CB-CD1 3.9Å; D126-Y158 HydrophobicContact CB-CE1 4.1Å; D126-Y158 WeakPolarHBondContact OD1-CE1 3.38Å; D126-T161 HydrophobicContact CB-CG2 3.99Å; D126-V164 HydrophobicContact CB-CG2 3.84Å
127	N	98.5	Very high	97.3	Very high	64 Å²	64	64.5 Å²	64.5	34%	0.342	33%	0.331	S	S	.	.			trans	-132.2	112.5	177.4	-174.7	-58.2	0	0	0	109.8	H123 K129 N130 Y131	H123-N127 HydrophobicContact CB-CB 4.5Å; H123-N127 VanDerWaalsContact O-CB 3.28Å; H123-N127 WeakPolarHBondContact O-CB 3.38Å; N127-K129 PolarHBondContact O-N 2.96Å; N127-K129 WeakPolarHBondContact OD1-CB 3.39Å; N127-K129 PolarHBondContact OD1-N 3.19Å; N127-N130 HydrophobicContact CB-CB 4.2Å; N127-N130 PolarHBondContact O-N 3.11Å; N127-N130 PolarHBondContact OD1-N 3.06Å; N127-Y131 PolarHBondContact O-N 2.89Å
128	D	98.4	Very high	97.5	Very high	98 Å²	98	63.1 Å²	63.1	52%	0.524	33%	0.326	S	S	.	.	H	α-helix	trans	-59.5	-33.6	-175.1	-60.5	-33.5	0	0	0	113.4	N130 Y131 A132 R167	D128-N130 VanDerWaalsContact C-N 3.33Å; D128-N130 PolarHBondContact O-N 2.93Å; D128-Y131 PolarHBondContact O-N 3.01Å; D128-A132 WeakPolarHBondContact O-CB 3.33Å; D128-A132 PolarHBondContact O-N 2.9Å; D128-R167 IonicContact OD1-CZ 3.31Å; D128-R167 VanDerWaalsContact OD1-CZ 3.31Å; D128-R167 IonicContact OD1-NH1 2.98Å; D128-R167 PolarHBondContact OD1-NH1 2.97Å; D128-R167 IonicContact OD1-NH2 2.69Å; D128-R167 PolarHBondContact OD1-NH2 3.16Å
129	K	98.4	Very high	97.6	Very high	170 Å²	170	68.5 Å²	68.5	74%	0.739	35%	0.345	S	S	*	.	H	α-helix	trans	-67.3	-35.6	177	-61.2	-176.3	178.4	-177.3	0	111.9	N127 R133	N127-K129 PolarHBondContact O-N 2.96Å; N127-K129 WeakPolarHBondContact OD1-CB 3.39Å; N127-K129 PolarHBondContact OD1-N 3.19Å; K129-R133 WeakPolarHBondContact O-CG 3.05Å
130	N	98.3	Very high	98	Very high	28 Å²	28	66.5 Å²	66.5	15%	0.15	34%	0.338	C	S	.	.	H	α-helix	trans	-77.1	-43.3	175.6	-70.5	-24.9	0	0	0	110.8	I122 H123 F124 N127 D128 A132 R133 W137	I122-N130 PolarHBondContact O-ND2 3.16Å; H123-N130 WeakPolarHBondContact O-CB 3.12Å; H123-N130 PolarHBondContact O-ND2 3.37Å; F124-N130 HydrophobicContact CD2-CB 4.43Å; F124-N130 WeakPolarHBondContact CD2-O 3.24Å; F124-N130 VanDerWaalsContact CE2-O 3.29Å; F124-N130 WeakPolarHBondContact CE2-O 3.39Å; N127-N130 HydrophobicContact CB-CB 4.2Å; N127-N130 PolarHBondContact O-N 3.11Å; N127-N130 PolarHBondContact OD1-N 3.06Å; D128-N130 VanDerWaalsContact C-N 3.33Å; D128-N130 PolarHBondContact O-N 2.93Å; N130-A132 VanDerWaalsContact C-N 3.33Å; N130-A132 PolarHBondContact O-N 3.5Å; N130-R133 WeakPolarHBondContact O-CB 3.43Å; N130-R133 PolarHBondContact O-N 2.98Å; N130-R133 VanDerWaalsContact O-N 3.11Å; N130-W137 HydrophobicContact CB-CH2 3.84Å; N130-W137 HydrophobicContact CB-CZ3 3.81Å
131	Y	98.7	Very high	98.2	Very high	69 Å²	69	64.8 Å²	64.8	27%	0.271	33%	0.328	S	S	.	.	H	α-helix	trans	-59.8	-42.2	178.8	-168	-115.4	0	0	0	112.1	F124 F125 N127 D128 R133 G134 R167	F124-Y131 HydrophobicContact CD1-CD2 4.33Å; F124-Y131 AromaticContact CE1-CD2 3.85Å; F124-Y131 HydrophobicContact CE1-CD2 3.85Å; F124-Y131 HydrophobicContact CE1-CE2 4.09Å; F124-Y131 HydrophobicContact CE2-CD2 4.28Å; F124-Y131 AromaticContact CZ-CD2 3.82Å; F124-Y131 HydrophobicContact CZ-CD2 3.82Å; F124-Y131 HydrophobicContact CZ-CE2 4.25Å; F124-Y131 WeakPolarHBondContact O-CB 3.48Å; F124-Y131 PolarHBondContact O-N 2.72Å; F125-Y131 HydrophobicContact CD1-CD2 4.15Å; F125-Y131 AromaticContact CD1-CE2 3.98Å; F125-Y131 HydrophobicContact CD1-CE2 3.98Å; F125-Y131 HydrophobicContact CE1-CE2 4.31Å; N127-Y131 PolarHBondContact O-N 2.89Å; D128-Y131 PolarHBondContact O-N 3.01Å; Y131-R133 PolarHBondContact O-N 3.04Å; Y131-R133 VanDerWaalsContact O-N 3.11Å; Y131-G134 PolarHBondContact O-N 3.32Å; Y131-R167 HydrophobicContact CD1-CG 4.5Å; Y131-R167 HydrophobicContact CD2-CB 4.49Å; Y131-R167 HydrophobicContact CD2-CG 4.45Å; Y131-R167 HydrophobicContact CE1-CG 3.89Å; Y131-R167 HydrophobicContact CE2-CB 3.74Å; Y131-R167 HydrophobicContact CE2-CG 3.85Å
132	A	98.5	Very high	98.2	Very high	87 Å²	87	61.3 Å²	61.3	72%	0.719	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-17.3	177.7	0	0	0	0	0	114.1	D128 N130 G134	D128-A132 WeakPolarHBondContact O-CB 3.33Å; D128-A132 PolarHBondContact O-N 2.9Å; N130-A132 VanDerWaalsContact C-N 3.33Å; N130-A132 PolarHBondContact O-N 3.5Å; A132-G134 PolarHBondContact O-N 2.9Å
133	R	98.6	Very high	98	Very high	142 Å²	142	61.9 Å²	61.9	54%	0.536	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-6.4	174.5	-64	173.4	172.9	178.3	-7.1	113.2	K129 N130 Y131 W137	K129-R133 WeakPolarHBondContact O-CG 3.05Å; N130-R133 WeakPolarHBondContact O-CB 3.43Å; N130-R133 PolarHBondContact O-N 2.98Å; N130-R133 VanDerWaalsContact O-N 3.11Å; Y131-R133 PolarHBondContact O-N 3.04Å; Y131-R133 VanDerWaalsContact O-N 3.11Å; R133-W137 HydrophobicContact CB-CB 3.62Å; R133-W137 HydrophobicContact CB-CD2 3.91Å; R133-W137 HydrophobicContact CB-CE3 4.42Å; R133-W137 HydrophobicContact CB-CG 3.53Å; R133-W137 HydrophobicContact CG-CG 4.34Å; R133-W137 VanDerWaalsContact NH1-CZ2 3.28Å; R133-W137 WeakPolarHBondContact O-CB 3.48Å
134	G	98.4	Very high	97.7	Very high	30 Å²	30	62.6 Å²	62.6	31%	0.309	32%	0.32	S	S	.	.	H	α-helix	trans	80.7	171.4	173.4	0	0	0	0	0	114.5	F124 Y131 A132 D136 W137 Y138	F124-G134 WeakPolarHBondContact CE2-O 3.33Å; F124-G134 WeakPolarHBondContact CZ-O 3.43Å; Y131-G134 PolarHBondContact O-N 3.32Å; A132-G134 PolarHBondContact O-N 2.9Å; G134-D136 VanDerWaalsContact C-N 3.3Å; G134-D136 PolarHBondContact O-N 2.85Å; G134-W137 WeakPolarHBondContact O-CB 3.33Å; G134-W137 PolarHBondContact O-N 3.36Å; G134-Y138 PolarHBondContact O-N 3.4Å
135	I	98.3	Very high	97.4	Very high	66 Å²	66	62.4 Å²	62.4	34%	0.338	32%	0.319	S	S	.	.	H	α-helix	trans	-67.7	-30.5	-172.1	-165.7	62.5	0	0	0	113	L89 F124 W137 Y138 R139 M171	L89-I135 HydrophobicContact CD1-CD1 4Å; L89-I135 HydrophobicContact CD1-CG1 3.8Å; L89-I135 HydrophobicContact CD2-CD1 3.75Å; L89-I135 HydrophobicContact CD2-CG1 4.01Å; F124-I135 HydrophobicContact CE1-CD1 4.18Å; I135-W137 VanDerWaalsContact C-N 3.32Å; I135-W137 PolarHBondContact O-N 2.81Å; I135-Y138 HydrophobicContact CD1-CD1 3.9Å; I135-Y138 WeakPolarHBondContact O-CB 3.47Å; I135-Y138 PolarHBondContact O-N 2.81Å; I135-R139 PolarHBondContact O-N 3.21Å; I135-M171 HydrophobicContact CD1-CB 4.37Å; I135-M171 HydrophobicContact CD1-CG 3.6Å; I135-M171 HydrophobicContact CD1-SD 3.62Å; I135-M171 HydrophobicContact CG1-CG 4.48Å
136	D	98.2	Very high	97.1	Very high	98 Å²	98	63.9 Å²	63.9	52%	0.524	33%	0.326	S	S	.	.	H	α-helix	trans	-66.1	-37.1	177.5	-66.8	-40.9	0	0	0	111.6	G134 Y138 R139 G140	G134-D136 VanDerWaalsContact C-N 3.3Å; G134-D136 PolarHBondContact O-N 2.85Å; D136-Y138 VanDerWaalsContact C-N 3.35Å; D136-R139 PolarHBondContact O-N 2.98Å; D136-R139 IonicContact OD1-CZ 2.7Å; D136-R139 IonicContact OD1-NH1 3.41Å; D136-R139 PolarHBondContact OD1-NH1 2.93Å; D136-R139 IonicContact OD1-NH2 3.91Å; D136-R139 PolarHBondContact OD1-NH2 2.82Å; D136-G140 PolarHBondContact O-N 3.31Å
137	W	98.2	Very high	96.7	Very high	56 Å²	56	65.9 Å²	65.9	21%	0.212	34%	0.341	C	S	.	.	H	α-helix	trans	-62.6	-43.9	172	179.1	89.8	0	0	0	111	I122 F124 N130 R133 G134 I135 G140 K141	I122-W137 HydrophobicContact CG2-CH2 4.21Å; I122-W137 HydrophobicContact CG2-CZ3 4.02Å; F124-W137 HydrophobicContact CB-CZ3 4.43Å; F124-W137 AromaticContact CD2-CE3 3.7Å; F124-W137 HydrophobicContact CD2-CE3 3.7Å; F124-W137 AromaticContact CD2-CZ3 3.69Å; F124-W137 HydrophobicContact CD2-CZ3 3.69Å; F124-W137 HydrophobicContact CE2-CE3 4.06Å; F124-W137 HydrophobicContact CE2-CZ3 4.48Å; F124-W137 HydrophobicContact CG-CZ3 4.47Å; N130-W137 HydrophobicContact CB-CH2 3.84Å; N130-W137 HydrophobicContact CB-CZ3 3.81Å; R133-W137 HydrophobicContact CB-CB 3.62Å; R133-W137 HydrophobicContact CB-CD2 3.91Å; R133-W137 HydrophobicContact CB-CE3 4.42Å; R133-W137 HydrophobicContact CB-CG 3.53Å; R133-W137 HydrophobicContact CG-CG 4.34Å; R133-W137 VanDerWaalsContact NH1-CZ2 3.28Å; R133-W137 WeakPolarHBondContact O-CB 3.48Å; G134-W137 WeakPolarHBondContact O-CB 3.33Å; G134-W137 PolarHBondContact O-N 3.36Å; I135-W137 VanDerWaalsContact C-N 3.32Å; I135-W137 PolarHBondContact O-N 2.81Å; W137-G140 PolarHBondContact O-N 2.85Å; W137-K141 HydrophobicContact CD2-CG 4.4Å; W137-K141 VanDerWaalsContact CE2-CE 3.4Å; W137-K141 HydrophobicContact CE3-CG 4.37Å; W137-K141 HydrophobicContact CH2-CG 4.12Å; W137-K141 HydrophobicContact CZ2-CD 4.32Å; W137-K141 HydrophobicContact CZ2-CG 4.16Å; W137-K141 HydrophobicContact CZ3-CG 4.21Å; W137-K141 WeakPolarHBondContact O-CG 3.49Å; W137-K141 PolarHBondContact O-N 3.34Å
138	Y	98.6	Very high	96.3	Very high	0 Å²	0	68.1 Å²	68.1	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-62.4	-46.3	177.1	-177.3	-128.2	0	0	0	112	L89 P90 I122 F124 F125 G134 I135 D136 G140 K141 M142 E153 M171	L89-Y138 HydrophobicContact CD2-CD1 3.62Å; L89-Y138 HydrophobicContact CD2-CE1 4.19Å; P90-Y138 HydrophobicContact CG-CE1 3.83Å; P90-Y138 WeakPolarHBondContact CG-OH 3.46Å; I122-Y138 HydrophobicContact CB-CD2 4.5Å; I122-Y138 HydrophobicContact CB-CE2 4.09Å; I122-Y138 HydrophobicContact CG1-CE2 4.43Å; I122-Y138 HydrophobicContact CG2-CD2 3.81Å; I122-Y138 HydrophobicContact CG2-CE2 3.91Å; F124-Y138 HydrophobicContact CB-CD2 3.38Å; F124-Y138 HydrophobicContact CB-CE2 3.61Å; F124-Y138 HydrophobicContact CB-CG 4.09Å; F124-Y138 AromaticContact CD1-CD1 3.79Å; F124-Y138 HydrophobicContact CD1-CD1 3.79Å; F124-Y138 AromaticContact CD1-CD2 3.7Å; F124-Y138 HydrophobicContact CD1-CD2 3.7Å; F124-Y138 HydrophobicContact CD1-CE1 4.26Å; F124-Y138 HydrophobicContact CD1-CE2 4.17Å; F124-Y138 AromaticContact CD1-CG 3.48Å; F124-Y138 HydrophobicContact CD1-CG 3.48Å; F124-Y138 VanDerWaalsContact CD1-CG 3.48Å; F124-Y138 HydrophobicContact CD2-CD2 4.16Å; F124-Y138 HydrophobicContact CD2-CG 4.19Å; F124-Y138 HydrophobicContact CE1-CD1 4.05Å; F124-Y138 AromaticContact CE1-CG 3.89Å; F124-Y138 HydrophobicContact CE1-CG 3.89Å; F124-Y138 HydrophobicContact CG-CD1 4.4Å; F124-Y138 AromaticContact CG-CD2 3.48Å; F124-Y138 HydrophobicContact CG-CD2 3.48Å; F124-Y138 VanDerWaalsContact CG-CD2 3.48Å; F124-Y138 HydrophobicContact CG-CE2 4.09Å; F124-Y138 AromaticContact CG-CG 3.65Å; F124-Y138 HydrophobicContact CG-CG 3.65Å; F124-Y138 HydrophobicContact CZ-CG 4.39Å; F125-Y138 AromaticContact CE2-CE1 3.89Å; F125-Y138 HydrophobicContact CE2-CE1 3.89Å; F125-Y138 AromaticContact CE2-CZ 3.83Å; F125-Y138 HydrophobicContact CZ-CD1 4.39Å; F125-Y138 AromaticContact CZ-CE1 3.94Å; F125-Y138 HydrophobicContact CZ-CE1 3.94Å; G134-Y138 PolarHBondContact O-N 3.4Å; I135-Y138 HydrophobicContact CD1-CD1 3.9Å; I135-Y138 WeakPolarHBondContact O-CB 3.47Å; I135-Y138 PolarHBondContact O-N 2.81Å; D136-Y138 VanDerWaalsContact C-N 3.35Å; Y138-G140 VanDerWaalsContact C-N 3.29Å; Y138-G140 PolarHBondContact O-N 2.69Å; Y138-K141 WeakPolarHBondContact O-CB 3.33Å; Y138-K141 PolarHBondContact O-N 3.18Å; Y138-M142 HydrophobicContact CD2-CE 3.84Å; Y138-M142 HydrophobicContact CE1-CE 4.47Å; Y138-M142 HydrophobicContact CE2-CE 3.48Å; Y138-M142 VanDerWaalsContact CE2-CE 3.48Å; Y138-M142 HydrophobicContact CG-CE 4.49Å; Y138-E153 PolarHBondContact OH-OE2 3.02Å; Y138-M171 HydrophobicContact CD1-SD 4.07Å; Y138-M171 HydrophobicContact CE1-SD 3.82Å
139	R	97.9	Very high	96.2	Very high	113 Å²	113	64.3 Å²	64.3	43%	0.426	33%	0.329	S	S	.	.	H	α-helix	trans	-56.8	-43.5	173.2	-175.2	179.5	61.9	-151.6	-8.9	111.2	Q87 L89 I135 D136 K141 M142	Q87-R139 HydrophobicContact CB-CG 4.29Å; Q87-R139 WeakPolarHBondContact O-CD 3.44Å; Q87-R139 WeakPolarHBondContact O-CG 3.4Å; L89-R139 HydrophobicContact CD2-CB 3.81Å; L89-R139 HydrophobicContact CD2-CG 4.46Å; L89-R139 HydrophobicContact CG-CB 4.34Å; I135-R139 PolarHBondContact O-N 3.21Å; D136-R139 PolarHBondContact O-N 2.98Å; D136-R139 IonicContact OD1-CZ 2.7Å; D136-R139 IonicContact OD1-NH1 3.41Å; D136-R139 PolarHBondContact OD1-NH1 2.93Å; D136-R139 IonicContact OD1-NH2 3.91Å; D136-R139 PolarHBondContact OD1-NH2 2.82Å; R139-K141 PolarHBondContact O-N 3.39Å; R139-K141 VanDerWaalsContact O-N 3.13Å; R139-M142 VanDerWaalsContact O-CB 3.3Å; R139-M142 WeakPolarHBondContact O-CB 3.49Å; R139-M142 PolarHBondContact O-N 3.15Å
140	G	96.3	Very high	96.1	Very high	40 Å²	40	57 Å²	57	41%	0.412	30%	0.297	S	S	.	.	H	α-helix	trans	-63.3	-13.9	176.4	0	0	0	0	0	114.8	Q87 D136 W137 Y138	Q87-G140 VanDerWaalsContact NE2-C 3.3Å; Q87-G140 PolarHBondContact NE2-O 2.96Å; D136-G140 PolarHBondContact O-N 3.31Å; W137-G140 PolarHBondContact O-N 2.85Å; Y138-G140 VanDerWaalsContact C-N 3.29Å; Y138-G140 PolarHBondContact O-N 2.69Å
141	K	96.9	Very high	96.1	Very high	106 Å²	106	55.7 Å²	55.7	46%	0.461	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90	-10.9	171.1	-62.3	-56	-177.4	-175.8	0	113.9	I122 W137 Y138 R139	I122-K141 HydrophobicContact CD1-CB 4.12Å; I122-K141 HydrophobicContact CG2-CB 4.01Å; I122-K141 HydrophobicContact CG2-CG 4.07Å; W137-K141 HydrophobicContact CD2-CG 4.4Å; W137-K141 VanDerWaalsContact CE2-CE 3.4Å; W137-K141 HydrophobicContact CE3-CG 4.37Å; W137-K141 HydrophobicContact CH2-CG 4.12Å; W137-K141 HydrophobicContact CZ2-CD 4.32Å; W137-K141 HydrophobicContact CZ2-CG 4.16Å; W137-K141 HydrophobicContact CZ3-CG 4.21Å; W137-K141 WeakPolarHBondContact O-CG 3.49Å; W137-K141 PolarHBondContact O-N 3.34Å; Y138-K141 WeakPolarHBondContact O-CB 3.33Å; Y138-K141 PolarHBondContact O-N 3.18Å; R139-K141 PolarHBondContact O-N 3.39Å; R139-K141 VanDerWaalsContact O-N 3.13Å
142	M	97.2	Very high	96.1	Very high	3 Å²	3	52.4 Å²	52.4	2%	0.015	28%	0.278	C	S	.	.	S	Bend	trans	-75.9	149.9	179.8	-63.3	-59.1	114	0	0	111.1	Q87 Q88 P90 I122 Y138 R139 T151 E153	Q87-M142 WeakPolarHBondContact CG-O 3.49Å; Q87-M142 PolarHBondContact NE2-O 3.38Å; Q88-M142 VanDerWaalsContact O-CB 3.27Å; Q88-M142 WeakPolarHBondContact O-CB 3.44Å; Q88-M142 VanDerWaalsContact O-CG 3.24Å; Q88-M142 WeakPolarHBondContact O-CG 3.22Å; P90-M142 HydrophobicContact CG-SD 4.4Å; I122-M142 HydrophobicContact CG1-CE 3.91Å; Y138-M142 HydrophobicContact CD2-CE 3.84Å; Y138-M142 HydrophobicContact CE1-CE 4.47Å; Y138-M142 HydrophobicContact CE2-CE 3.48Å; Y138-M142 VanDerWaalsContact CE2-CE 3.48Å; Y138-M142 HydrophobicContact CG-CE 4.49Å; R139-M142 VanDerWaalsContact O-CB 3.3Å; R139-M142 WeakPolarHBondContact O-CB 3.49Å; R139-M142 PolarHBondContact O-N 3.15Å; M142-T151 HydrophobicContact CB-CG2 4.24Å; M142-T151 HydrophobicContact CG-CG2 4.25Å; M142-T151 HydrophobicContact SD-CG2 3.69Å; M142-E153 HydrophobicContact CE-CG 4.27Å
143	P	94.5	Very high	96.1	Very high	33 Å²	33	48.3 Å²	48.3	21%	0.214	24%	0.243	C	C	.	.	P	Polyproline II helix	trans	-65.8	153.4	173.8	30.6	-36.5	0	0	0	110.8	V116 T151	V116-P143 HydrophobicContact CB-CG 4.29Å; V116-P143 HydrophobicContact CG1-CB 3.66Å; V116-P143 HydrophobicContact CG1-CG 3.44Å; V116-P143 VanDerWaalsContact CG1-CG 3.44Å; P143-T151 HydrophobicContact CG-CG2 4.25Å
144	F	92.8	Very high	96.1	Very high	76 Å²	76	41.6 Å²	41.6	33%	0.333	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	135.9	163.7	-78.7	-77.4	0	0	0	109.9	I80 L85 Q87	I80-F144 HydrophobicContact CD1-CD2 4.44Å; I80-F144 HydrophobicContact CD1-CE1 3.94Å; I80-F144 HydrophobicContact CD1-CE2 3.86Å; I80-F144 HydrophobicContact CD1-CZ 3.59Å; I80-F144 HydrophobicContact CG1-CD1 4.4Å; I80-F144 HydrophobicContact CG1-CE1 4.23Å; I80-F144 HydrophobicContact CG1-CZ 4.32Å; I80-F144 HydrophobicContact CG2-CD1 4.31Å; I80-F144 HydrophobicContact CG2-CE1 3.9Å; L85-F144 HydrophobicContact CB-CB 4.1Å; L85-F144 HydrophobicContact CB-CD1 3.94Å; L85-F144 HydrophobicContact CB-CG 4.39Å; L85-F144 HydrophobicContact CD1-CB 4.42Å; Q87-F144 HydrophobicContact CG-CD1 3.94Å; Q87-F144 HydrophobicContact CG-CD2 4.27Å; Q87-F144 HydrophobicContact CG-CE1 3.82Å; Q87-F144 HydrophobicContact CG-CE2 4.14Å; Q87-F144 HydrophobicContact CG-CG 4.17Å; Q87-F144 HydrophobicContact CG-CZ 3.91Å
145	S	92.1	Very high	96.1	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	155.7	-175.8	56.7	0	0	0	0	110.2	V86 Q88	V86-S145 PolarHBondContact N-O 3.32Å; V86-S145 PolarHBondContact O-N 3.42Å; V86-S145 PolarHBondContact O-OG 2.9Å; Q88-S145 PolarHBondContact NE2-OG 2.73Å
146	L	91.9	Very high	96.1	Very high	31 Å²	31	37.4 Å²	37.4	16%	0.162	19%	0.19	C	C	.	.			trans	-73.7	151.5	169.3	-63.9	165.2	0	0	0	109.8	H83 L85 Q88 H148 Q149	H83-L146 WeakPolarHBondContact O-CD2 3.42Å; L85-L146 HydrophobicContact CD2-CD2 3.73Å; L85-L146 HydrophobicContact CD2-CG 4Å; Q88-L146 PolarHBondContact NE2-O 2.8Å; L146-H148 PolarHBondContact O-N 3.01Å; L146-H148 VanDerWaalsContact O-N 3.1Å; L146-Q149 HydrophobicContact CB-CG 4.07Å; L146-Q149 WeakPolarHBondContact O-CB 3.14Å; L146-Q149 PolarHBondContact O-N 3.11Å
147	P	90.3	Very high	96.2	Very high	73 Å²	73	34.1 Å²	34.1	47%	0.474	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-31.7	-176.8	-29.1	35.9	0	0	0	115.5	Q149	P147-Q149 VanDerWaalsContact C-N 3.35Å
148	H	90.4	Very high	96.2	Very high	111 Å²	111	31.4 Å²	31.4	51%	0.514	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-9.6	178.9	62.6	-100.5	0	0	0	113.8	L146	L146-H148 PolarHBondContact O-N 3.01Å; L146-H148 VanDerWaalsContact O-N 3.1Å
149	Q	95.2	Very high	96.2	Very high	19 Å²	19	31.4 Å²	31.4	9%	0.089	17%	0.166	C	C	.	.	S	Bend	trans	-83.8	151.7	178.8	-65.9	-178.1	-56.5	0	0	111.3	P113 A114 V116 L146 P147	P113-Q149 PolarHBondContact O-NE2 3.45Å; A114-Q149 CarbonylContact O-C 3.55Å; A114-Q149 VanDerWaalsContact O-CA 3.23Å; A114-Q149 WeakPolarHBondContact O-CA 3.25Å; A114-Q149 WeakPolarHBondContact O-CB 3.32Å; V116-Q149 HydrophobicContact CG2-CB 3.97Å; V116-Q149 VanDerWaalsContact CG2-CD 3.49Å; V116-Q149 HydrophobicContact CG2-CG 4.3Å; L146-Q149 HydrophobicContact CB-CG 4.07Å; L146-Q149 WeakPolarHBondContact O-CB 3.14Å; L146-Q149 PolarHBondContact O-N 3.11Å; P147-Q149 VanDerWaalsContact C-N 3.35Å
150	I	97.4	Very high	96.2	Very high	15 Å²	15	28.9 Å²	28.9	8%	0.077	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	124.9	171.8	176.9	160.4	0	0	0	110.4	R91 A92 A114 V115 V116 I152 L272 L274	R91-I150 HydrophobicContact CB-CD1 3.78Å; R91-I150 HydrophobicContact CB-CG1 3.91Å; A92-I150 HydrophobicContact CB-CD1 3.98Å; A114-I150 WeakPolarHBondContact O-CG2 3.47Å; A114-I150 PolarHBondContact O-N 2.87Å; V115-I150 HydrophobicContact CB-CG2 4.48Å; V115-I150 HydrophobicContact CG2-CG2 3.83Å; V116-I150 PolarHBondContact N-O 3.48Å; I150-I152 HydrophobicContact CG1-CG1 4.06Å; I150-L272 HydrophobicContact CD1-CD2 4.34Å; I150-L274 HydrophobicContact CG2-CD1 4.22Å; I150-L274 HydrophobicContact CG2-CD2 4.12Å
151	T	98.3	Very high	96.4	Very high	2 Å²	2	28.3 Å²	28.3	1%	0.012	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	130.9	166.7	-63.9	0	0	0	0	110.3	P90 R91 V116 M142 P143	P90-T151 VanDerWaalsContact CA-O 3.26Å; P90-T151 WeakPolarHBondContact CA-O 3.26Å; P90-T151 HydrophobicContact CB-CG2 4.3Å; R91-T151 PolarHBondContact N-O 2.65Å; R91-T151 VanDerWaalsContact N-O 3.14Å; V116-T151 CarbonylContact O-C 3.53Å; V116-T151 VanDerWaalsContact O-CA 3.28Å; V116-T151 WeakPolarHBondContact O-CA 3.34Å; M142-T151 HydrophobicContact CB-CG2 4.24Å; M142-T151 HydrophobicContact CG-CG2 4.25Å; M142-T151 HydrophobicContact SD-CG2 3.69Å; P143-T151 HydrophobicContact CG-CG2 4.25Å
152	I	98.7	Very high	96.4	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	128.6	175.1	-54.9	-175.2	0	0	0	110.6	A92 I94 L106 L109 V115 V116 K117 A118 I150 L272	A92-I152 HydrophobicContact CB-CG1 4.35Å; A92-I152 WeakPolarHBondContact O-CA 3.44Å; I94-I152 HydrophobicContact CD1-CG2 4.23Å; I94-I152 HydrophobicContact CG1-CG2 4.14Å; L106-I152 HydrophobicContact CD1-CB 4.18Å; L106-I152 HydrophobicContact CD1-CG2 3.72Å; L109-I152 HydrophobicContact CD1-CD1 4.16Å; V115-I152 HydrophobicContact CG1-CD1 3.76Å; V115-I152 HydrophobicContact CG1-CG1 4.16Å; V115-I152 HydrophobicContact CG2-CD1 4.3Å; V116-I152 PolarHBondContact O-N 3Å; K117-I152 WeakPolarHBondContact CA-O 3.31Å; A118-I152 PolarHBondContact N-O 3.25Å; I150-I152 HydrophobicContact CG1-CG1 4.06Å; I152-L272 HydrophobicContact CD1-CD1 3.82Å
153	E	98.3	Very high	96.5	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	160	173.4	-166	-98.3	119.2	0	0	111	P90 A92 I93 I94 A118 I122 Y138 M142 S155 Y158	P90-E153 HydrophobicContact CB-CB 4.27Å; P90-E153 HydrophobicContact CG-CB 4.33Å; A92-E153 PolarHBondContact O-N 3.45Å; I93-E153 WeakPolarHBondContact CA-O 3.38Å; I94-E153 PolarHBondContact N-O 3.19Å; A118-E153 HydrophobicContact CB-CB 4.27Å; A118-E153 HydrophobicContact CB-CG 4.04Å; I122-E153 HydrophobicContact CB-CG 4.46Å; I122-E153 HydrophobicContact CG1-CG 3.81Å; Y138-E153 PolarHBondContact OH-OE2 3.02Å; M142-E153 HydrophobicContact CE-CG 4.27Å; E153-S155 WeakPolarHBondContact OE1-CB 3.36Å; E153-S155 PolarHBondContact OE1-N 2.96Å; E153-S155 VanDerWaalsContact OE1-N 3.14Å; E153-S155 PolarHBondContact OE1-OG 3.25Å; E153-Y158 VanDerWaalsContact OE2-CE2 3.26Å; E153-Y158 WeakPolarHBondContact OE2-CE2 3.35Å; E153-Y158 PolarHBondContact OE2-OH 3.16Å; E153-Y158 VanDerWaalsContact OE2-OH 3.12Å
154	K	98.7	Very high	96.7	Very high	2 Å²	2	32 Å²	32	1%	0.009	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	109	-176.7	-179.2	-146.5	67.5	51.4	0	111.4	I94 T102 L106 E121	I94-K154 HydrophobicContact CB-CB 3.95Å; I94-K154 HydrophobicContact CB-CG 3.76Å; I94-K154 HydrophobicContact CD1-CB 4.34Å; I94-K154 HydrophobicContact CD1-CG 4.3Å; I94-K154 HydrophobicContact CG2-CG 3.85Å; I94-K154 WeakPolarHBondContact O-CA 3.39Å; T102-K154 WeakPolarHBondContact O-CD 3.46Å; L106-K154 HydrophobicContact CB-CD 4.1Å; L106-K154 HydrophobicContact CD1-CB 4.28Å; L106-K154 HydrophobicContact CD2-CB 3.89Å; L106-K154 HydrophobicContact CD2-CD 4.12Å; L106-K154 HydrophobicContact CG-CB 4.47Å; E121-K154 VanDerWaalsContact CG-NZ 3.29Å; E121-K154 IonicContact OE1-NZ 2.82Å; E121-K154 PolarHBondContact OE1-NZ 3.02Å; E121-K154 IonicContact OE2-NZ 3.31Å
155	S	98.7	Very high	97	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.149	C	C	.	.			trans	-133.7	97.8	174.3	-70.2	0	0	0	0	109.3	I94 I95 I122 H123 E153 A157 Y158	I94-S155 PolarHBondContact O-N 3.3Å; I95-S155 VanDerWaalsContact O-O 3.12Å; I122-S155 PolarHBondContact N-OG 3.23Å; H123-S155 PolarHBondContact N-OG 2.82Å; E153-S155 WeakPolarHBondContact OE1-CB 3.36Å; E153-S155 PolarHBondContact OE1-N 2.96Å; E153-S155 VanDerWaalsContact OE1-N 3.14Å; E153-S155 PolarHBondContact OE1-OG 3.25Å; S155-A157 PolarHBondContact O-N 3.14Å; S155-A157 VanDerWaalsContact O-N 3.1Å; S155-Y158 VanDerWaalsContact CB-CE1 3.43Å; S155-Y158 VanDerWaalsContact O-CB 3.26Å; S155-Y158 WeakPolarHBondContact O-CB 3.24Å; S155-Y158 VanDerWaalsContact O-CG 3.28Å; S155-Y158 PolarHBondContact O-N 3.48Å
156	P	98.7	Very high	97.3	Very high	8 Å²	8	31.8 Å²	31.8	5%	0.052	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-14.4	-168.9	-20.9	35.2	0	0	0	115	I95 R98 T102 E121 Y158	I95-P156 CarbonylContact O-C 3.48Å; I95-P156 WeakPolarHBondContact O-CA 3.47Å; R98-P156 HydrophobicContact CB-CB 4.13Å; T102-P156 HydrophobicContact CG2-CB 4.11Å; T102-P156 HydrophobicContact CG2-CG 3.96Å; T102-P156 VanDerWaalsContact OG1-CG 3.32Å; T102-P156 WeakPolarHBondContact OG1-CG 3.28Å; E121-P156 WeakPolarHBondContact OE2-CD 3.44Å; P156-Y158 VanDerWaalsContact C-N 3.29Å
157	A	98.6	Very high	97.7	Very high	28 Å²	28	32.1 Å²	32.1	23%	0.231	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-26.4	175	0	0	0	0	0	111.9	D126 S155 F159 I160 T161	D126-A157 WeakPolarHBondContact OD2-CB 3.49Å; S155-A157 PolarHBondContact O-N 3.14Å; S155-A157 VanDerWaalsContact O-N 3.1Å; A157-F159 PolarHBondContact O-N 2.9Å; A157-F159 VanDerWaalsContact O-N 3.16Å; A157-I160 VanDerWaalsContact O-CG1 3.25Å; A157-I160 WeakPolarHBondContact O-CG1 3.41Å; A157-I160 PolarHBondContact O-N 3.17Å; A157-T161 PolarHBondContact O-N 3.49Å; A157-T161 PolarHBondContact O-OG1 3.45Å; A157-T161 VanDerWaalsContact O-OG1 3.09Å
158	Y	98.9	Very high	98.1	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.1	-45.6	179.3	-72.7	-1.1	0	0	0	111.9	I93 I95 F124 F125 D126 E153 S155 P156 I160 T161 V164 I168 W240	I93-Y158 HydrophobicContact CG2-CD2 3.97Å; I93-Y158 HydrophobicContact CG2-CE2 4.04Å; I95-Y158 HydrophobicContact CG2-CD2 4.29Å; F124-Y158 PolarHBondContact N-OH 3.45Å; F125-Y158 HydrophobicContact CB-CD1 4.4Å; F125-Y158 HydrophobicContact CB-CE1 4Å; F125-Y158 HydrophobicContact CD2-CD2 4.35Å; F125-Y158 HydrophobicContact CD2-CE1 4.35Å; F125-Y158 AromaticContact CD2-CE2 3.62Å; F125-Y158 HydrophobicContact CD2-CE2 3.62Å; F125-Y158 AromaticContact CD2-CZ 3.62Å; F125-Y158 HydrophobicContact CE2-CE2 4.37Å; D126-Y158 HydrophobicContact CB-CD1 3.9Å; D126-Y158 HydrophobicContact CB-CE1 4.1Å; D126-Y158 WeakPolarHBondContact OD1-CE1 3.38Å; E153-Y158 VanDerWaalsContact OE2-CE2 3.26Å; E153-Y158 WeakPolarHBondContact OE2-CE2 3.35Å; E153-Y158 PolarHBondContact OE2-OH 3.16Å; E153-Y158 VanDerWaalsContact OE2-OH 3.12Å; S155-Y158 VanDerWaalsContact CB-CE1 3.43Å; S155-Y158 VanDerWaalsContact O-CB 3.26Å; S155-Y158 WeakPolarHBondContact O-CB 3.24Å; S155-Y158 VanDerWaalsContact O-CG 3.28Å; S155-Y158 PolarHBondContact O-N 3.48Å; P156-Y158 VanDerWaalsContact C-N 3.29Å; Y158-I160 PolarHBondContact O-N 3Å; Y158-I160 VanDerWaalsContact O-N 3.11Å; Y158-T161 PolarHBondContact O-N 2.94Å; Y158-V164 HydrophobicContact CD1-CG1 4.14Å; Y158-V164 HydrophobicContact CD1-CG2 4.2Å; Y158-V164 HydrophobicContact CD2-CG1 4.36Å; Y158-V164 HydrophobicContact CG-CG1 3.81Å; Y158-I168 HydrophobicContact CD2-CD1 4.13Å; Y158-W240 WeakPolarHBondContact O-CZ2 3.48Å
159	F	98.9	Very high	98.5	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-35.5	-177.4	-174.2	-114.5	0	0	0	114.2	I95 V97 A157 I179 Y233 H236 W240	I95-F159 HydrophobicContact CD1-CD2 4.18Å; I95-F159 VanDerWaalsContact O-CB 3.31Å; I95-F159 WeakPolarHBondContact O-CB 3.42Å; I95-F159 PolarHBondContact O-N 2.89Å; V97-F159 HydrophobicContact CB-CD1 4.24Å; V97-F159 HydrophobicContact CG1-CD1 3.96Å; V97-F159 HydrophobicContact CG1-CE1 4.36Å; V97-F159 HydrophobicContact CG2-CD1 3.46Å; V97-F159 VanDerWaalsContact CG2-CD1 3.46Å; V97-F159 HydrophobicContact CG2-CE1 3.46Å; V97-F159 VanDerWaalsContact CG2-CE1 3.46Å; V97-F159 HydrophobicContact CG2-CG 4.08Å; V97-F159 HydrophobicContact CG2-CZ 4.13Å; A157-F159 PolarHBondContact O-N 2.9Å; A157-F159 VanDerWaalsContact O-N 3.16Å; F159-I179 HydrophobicContact CD2-CD1 4.18Å; F159-I179 HydrophobicContact CD2-CG1 4.43Å; F159-I179 HydrophobicContact CD2-CG2 4.46Å; F159-I179 HydrophobicContact CE2-CD1 3.73Å; F159-I179 HydrophobicContact CE2-CG1 4.37Å; F159-I179 HydrophobicContact CE2-CG2 4.19Å; F159-I179 HydrophobicContact CZ-CG2 4.48Å; F159-Y233 HydrophobicContact CE1-CD1 4.24Å; F159-H236 HydrophobicContact CD1-CB 3.8Å; F159-H236 HydrophobicContact CD2-CB 4.42Å; F159-H236 HydrophobicContact CE1-CB 3.31Å; F159-H236 AromaticContact CE1-CD2 3.99Å; F159-H236 AromaticContact CE1-CG 3.84Å; F159-H236 HydrophobicContact CE2-CB 3.97Å; F159-H236 HydrophobicContact CG-CB 4.35Å; F159-H236 HydrophobicContact CZ-CB 3.41Å; F159-H236 VanDerWaalsContact CZ-CB 3.41Å; F159-W240 AromaticContact CD2-NE1 3.78Å; F159-W240 PolarHBondContact O-NE1 3Å
160	I	98.6	Very high	98.6	Very high	59 Å²	59	33 Å²	33	30%	0.303	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.7	-23.8	-174.7	64.3	164.3	0	0	0	114.2	A157 Y158 T230 R239	A157-I160 VanDerWaalsContact O-CG1 3.25Å; A157-I160 WeakPolarHBondContact O-CG1 3.41Å; A157-I160 PolarHBondContact O-N 3.17Å; Y158-I160 PolarHBondContact O-N 3Å; Y158-I160 VanDerWaalsContact O-N 3.11Å; I160-T230 HydrophobicContact CG2-CG2 3.91Å; I160-R239 PolarHBondContact O-NH2 3.11Å
161	T	98.7	Very high	98.7	Very high	28 Å²	28	34.3 Å²	34.3	17%	0.172	17%	0.165	C	C	.	.			trans	-71.3	136.7	-178.5	-57.4	0	0	0	0	110.6	D126 A157 Y158 E163 V164	D126-T161 HydrophobicContact CB-CG2 3.99Å; A157-T161 PolarHBondContact O-N 3.49Å; A157-T161 PolarHBondContact O-OG1 3.45Å; A157-T161 VanDerWaalsContact O-OG1 3.09Å; Y158-T161 PolarHBondContact O-N 2.94Å; T161-E163 HydrophobicContact CG2-CG 4.15Å; T161-E163 WeakPolarHBondContact CG2-OE1 2.97Å; T161-E163 VanDerWaalsContact CG2-OE2 3.3Å; T161-E163 WeakPolarHBondContact CG2-OE2 3.21Å; T161-V164 HydrophobicContact CG2-CG2 3.62Å
162	E	98.4	Very high	98.7	Very high	153 Å²	153	36.9 Å²	36.9	72%	0.715	18%	0.178	S	C	*	.	S	Bend	trans	-77.4	-38.4	-165	-66.3	-175.4	177.6	0	0	112.9	P165	E162-P165 WeakPolarHBondContact O-CD 3.28Å
163	E	98.6	Very high	98.7	Very high	66 Å²	66	39.3 Å²	39.3	31%	0.308	20%	0.196	S	C	.	.	S	Bend	trans	-79.7	-15.4	-177.9	64.1	-82.9	-172.5	0	0	114	T161 R167	T161-E163 HydrophobicContact CG2-CG 4.15Å; T161-E163 WeakPolarHBondContact CG2-OE1 2.97Å; T161-E163 VanDerWaalsContact CG2-OE2 3.3Å; T161-E163 WeakPolarHBondContact CG2-OE2 3.21Å; E163-R167 VanDerWaalsContact O-CG 3.3Å; E163-R167 WeakPolarHBondContact O-CG 3.2Å; E163-R167 PolarHBondContact O-N 2.94Å
164	V	98.9	Very high	98.7	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-64.9	-44.6	-172.1	171.9	0	0	0	0	114.3	F125 D126 Y158 T161 E166 R167 I168 W240	F125-V164 HydrophobicContact CB-CB 4.31Å; F125-V164 HydrophobicContact CB-CG1 3.82Å; F125-V164 HydrophobicContact CB-CG2 3.91Å; F125-V164 WeakPolarHBondContact O-CG2 3.35Å; D126-V164 HydrophobicContact CB-CG2 3.84Å; Y158-V164 HydrophobicContact CD1-CG1 4.14Å; Y158-V164 HydrophobicContact CD1-CG2 4.2Å; Y158-V164 HydrophobicContact CD2-CG1 4.36Å; Y158-V164 HydrophobicContact CG-CG1 3.81Å; T161-V164 HydrophobicContact CG2-CG2 3.62Å; V164-E166 VanDerWaalsContact C-N 3.32Å; V164-E166 PolarHBondContact O-N 3.4Å; V164-R167 PolarHBondContact O-N 3.29Å; V164-I168 HydrophobicContact CG1-CD1 3.53Å; V164-I168 HydrophobicContact CG1-CG1 4.04Å; V164-I168 WeakPolarHBondContact O-CG1 3.37Å; V164-I168 PolarHBondContact O-N 2.82Å; V164-W240 HydrophobicContact CG1-CH2 3.81Å; V164-W240 HydrophobicContact CG1-CZ2 4Å
165	P	98.9	Very high	98.7	Very high	1 Å²	1	43.4 Å²	43.4	1%	0.006	22%	0.224	C	C	.	.	H	α-helix	trans	-54.8	-46.8	179.9	-26.7	35.2	0	0	0	112.7	E162 I168 F169 W240 Y243 F244	E162-P165 WeakPolarHBondContact O-CD 3.28Å; P165-I168 PolarHBondContact O-N 3.24Å; P165-F169 WeakPolarHBondContact O-CB 3.49Å; P165-F169 PolarHBondContact O-N 2.81Å; P165-W240 HydrophobicContact CB-CD2 4.16Å; P165-W240 HydrophobicContact CB-CE3 4.13Å; P165-W240 HydrophobicContact CG-CD2 3.75Å; P165-W240 HydrophobicContact CG-CE3 4.18Å; P165-W240 HydrophobicContact CG-CG 4.02Å; P165-W240 HydrophobicContact CG-CZ2 4.24Å; P165-Y243 HydrophobicContact CB-CD2 3.52Å; P165-Y243 HydrophobicContact CB-CE2 4.02Å; P165-Y243 HydrophobicContact CB-CG 4.2Å; P165-F244 WeakPolarHBondContact O-CE2 3.18Å
166	E	98.9	Very high	98.7	Very high	71 Å²	71	45.6 Å²	45.6	33%	0.332	23%	0.234	S	C	.	.	H	α-helix	trans	-62.1	-45.9	178.1	-171.2	-172.2	164.4	0	0	111.6	V164 I168 F169 K170 Y243	V164-E166 VanDerWaalsContact C-N 3.32Å; V164-E166 PolarHBondContact O-N 3.4Å; E166-I168 VanDerWaalsContact C-N 3.35Å; E166-I168 PolarHBondContact O-N 3.29Å; E166-F169 WeakPolarHBondContact O-CB 3.16Å; E166-F169 PolarHBondContact O-N 3.39Å; E166-K170 HydrophobicContact CG-CD 4.48Å; E166-K170 WeakPolarHBondContact O-CG 3.43Å; E166-K170 PolarHBondContact O-N 3.31Å; E166-K170 WeakPolarHBondContact OE1-CE 3.34Å; E166-K170 IonicContact OE1-NZ 2.64Å; E166-K170 PolarHBondContact OE1-NZ 2.89Å; E166-Y243 HydrophobicContact CB-CD1 4.38Å; E166-Y243 HydrophobicContact CB-CE1 3.66Å; E166-Y243 HydrophobicContact CB-CE2 4.2Å; E166-Y243 HydrophobicContact CG-CE1 3.69Å
167	R	98.8	Very high	98.7	Very high	39 Å²	39	45.2 Å²	45.2	15%	0.147	23%	0.231	C	C	.	.	H	α-helix	trans	-64.7	-38.9	-178.1	-67.2	175.5	172.3	-178.3	-3	112.2	F125 D128 Y131 E163 V164 M171	F125-R167 HydrophobicContact CB-CB 4.43Å; F125-R167 HydrophobicContact CD1-CB 3.67Å; F125-R167 HydrophobicContact CE1-CB 4.41Å; F125-R167 HydrophobicContact CG-CB 4.47Å; F125-R167 VanDerWaalsContact O-CD 3.24Å; F125-R167 WeakPolarHBondContact O-CD 3.49Å; F125-R167 PolarHBondContact O-NH1 3.24Å; D128-R167 IonicContact OD1-CZ 3.31Å; D128-R167 VanDerWaalsContact OD1-CZ 3.31Å; D128-R167 IonicContact OD1-NH1 2.98Å; D128-R167 PolarHBondContact OD1-NH1 2.97Å; D128-R167 IonicContact OD1-NH2 2.69Å; D128-R167 PolarHBondContact OD1-NH2 3.16Å; Y131-R167 HydrophobicContact CD1-CG 4.5Å; Y131-R167 HydrophobicContact CD2-CB 4.49Å; Y131-R167 HydrophobicContact CD2-CG 4.45Å; Y131-R167 HydrophobicContact CE1-CG 3.89Å; Y131-R167 HydrophobicContact CE2-CB 3.74Å; Y131-R167 HydrophobicContact CE2-CG 3.85Å; E163-R167 VanDerWaalsContact O-CG 3.3Å; E163-R167 WeakPolarHBondContact O-CG 3.2Å; E163-R167 PolarHBondContact O-N 2.94Å; V164-R167 PolarHBondContact O-N 3.29Å; R167-M171 PolarHBondContact O-N 2.77Å
168	I	98.9	Very high	98.8	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-69	-40.5	174.5	-66.6	177.3	0	0	0	110.1	I93 I95 F125 Y158 V164 P165 E166 K170 M171 N172 I175 L177 W240 F244	I93-I168 HydrophobicContact CD1-CD1 4.21Å; I93-I168 HydrophobicContact CD1-CG2 4.36Å; I95-I168 HydrophobicContact CG2-CD1 4.4Å; F125-I168 HydrophobicContact CB-CG1 4.29Å; F125-I168 HydrophobicContact CD1-CG1 3.87Å; F125-I168 HydrophobicContact CD2-CD1 3.85Å; F125-I168 HydrophobicContact CD2-CG1 3.45Å; F125-I168 VanDerWaalsContact CD2-CG1 3.45Å; F125-I168 HydrophobicContact CE1-CG1 3.96Å; F125-I168 HydrophobicContact CE2-CD1 4.19Å; F125-I168 HydrophobicContact CE2-CG1 3.6Å; F125-I168 HydrophobicContact CG-CD1 4.28Å; F125-I168 HydrophobicContact CG-CG1 3.59Å; F125-I168 HydrophobicContact CZ-CG1 3.83Å; Y158-I168 HydrophobicContact CD2-CD1 4.13Å; V164-I168 HydrophobicContact CG1-CD1 3.53Å; V164-I168 HydrophobicContact CG1-CG1 4.04Å; V164-I168 WeakPolarHBondContact O-CG1 3.37Å; V164-I168 PolarHBondContact O-N 2.82Å; P165-I168 PolarHBondContact O-N 3.24Å; E166-I168 VanDerWaalsContact C-N 3.35Å; E166-I168 PolarHBondContact O-N 3.29Å; I168-K170 VanDerWaalsContact C-N 3.33Å; I168-K170 PolarHBondContact O-N 2.83Å; I168-M171 HydrophobicContact CG2-CE 4.48Å; I168-M171 WeakPolarHBondContact O-CB 3.47Å; I168-M171 PolarHBondContact O-N 2.98Å; I168-M171 VanDerWaalsContact O-N 3.07Å; I168-N172 PolarHBondContact O-N 3.1Å; I168-I175 HydrophobicContact CG2-CG2 3.76Å; I168-L177 HydrophobicContact CG2-CD2 4.47Å; I168-W240 HydrophobicContact CD1-CH2 3.67Å; I168-W240 HydrophobicContact CD1-CZ3 3.99Å; I168-F244 HydrophobicContact CB-CZ 4.12Å; I168-F244 HydrophobicContact CG2-CE2 4.44Å; I168-F244 HydrophobicContact CG2-CZ 3.75Å
169	F	98.9	Very high	98.8	Very high	82 Å²	82	43.9 Å²	43.9	36%	0.36	22%	0.22	S	C	.	.	H	α-helix	trans	-61.2	-42.9	178.9	-178	-93.3	0	0	0	111.5	P165 E166 M171 N172 S173 Y243 F244	P165-F169 WeakPolarHBondContact O-CB 3.49Å; P165-F169 PolarHBondContact O-N 2.81Å; E166-F169 WeakPolarHBondContact O-CB 3.16Å; E166-F169 PolarHBondContact O-N 3.39Å; F169-M171 VanDerWaalsContact C-N 3.27Å; F169-M171 PolarHBondContact O-N 3.36Å; F169-N172 CarbonylContact O-C 3.41Å; F169-N172 PolarHBondContact O-N 2.98Å; F169-S173 PolarHBondContact O-N 3.27Å; F169-S173 VanDerWaalsContact O-N 3.16Å; F169-Y243 HydrophobicContact CB-CD1 4.05Å; F169-Y243 HydrophobicContact CB-CG 4.43Å; F169-Y243 HydrophobicContact CD1-CD1 4.33Å; F169-Y243 WeakPolarHBondContact CD2-O 3.41Å; F169-Y243 WeakPolarHBondContact CE2-O 3.48Å; F169-Y243 HydrophobicContact CG-CD1 4.09Å; F169-F244 HydrophobicContact CB-CE1 4.19Å; F169-F244 HydrophobicContact CB-CE2 4.15Å; F169-F244 HydrophobicContact CB-CZ 3.68Å; F169-F244 HydrophobicContact CD2-CD1 4.19Å; F169-F244 AromaticContact CD2-CE1 3.9Å; F169-F244 HydrophobicContact CD2-CE1 3.9Å; F169-F244 HydrophobicContact CD2-CZ 4.19Å; F169-F244 HydrophobicContact CG-CZ 4.46Å
170	K	98.8	Very high	98.8	Very high	139 Å²	139	43.9 Å²	43.9	60%	0.604	22%	0.22	S	C	*	.	H	α-helix	trans	-61	-32.5	173.7	-73.9	177.7	-177.4	171	0	113.3	E166 I168	E166-K170 HydrophobicContact CG-CD 4.48Å; E166-K170 WeakPolarHBondContact O-CG 3.43Å; E166-K170 PolarHBondContact O-N 3.31Å; E166-K170 WeakPolarHBondContact OE1-CE 3.34Å; E166-K170 IonicContact OE1-NZ 2.64Å; E166-K170 PolarHBondContact OE1-NZ 2.89Å; I168-K170 VanDerWaalsContact C-N 3.33Å; I168-K170 PolarHBondContact O-N 2.83Å
171	M	98.7	Very high	98.8	Very high	42 Å²	42	41 Å²	41	21%	0.207	21%	0.206	C	C	.	.	H	α-helix	trans	-73.1	-49.8	175.3	177.2	-168.7	66.5	0	0	111.2	L89 I93 F125 I135 Y138 R167 I168 F169 I175	L89-M171 HydrophobicContact CD1-CG 4.29Å; L89-M171 HydrophobicContact CD1-SD 4.28Å; L89-M171 HydrophobicContact CD2-SD 4.28Å; I93-M171 HydrophobicContact CD1-CE 4.26Å; F125-M171 HydrophobicContact CE1-CB 4.38Å; F125-M171 HydrophobicContact CE1-SD 4.49Å; F125-M171 HydrophobicContact CE2-CE 4.46Å; F125-M171 HydrophobicContact CZ-CB 4.37Å; F125-M171 HydrophobicContact CZ-CE 3.86Å; F125-M171 HydrophobicContact CZ-SD 3.67Å; I135-M171 HydrophobicContact CD1-CB 4.37Å; I135-M171 HydrophobicContact CD1-CG 3.6Å; I135-M171 HydrophobicContact CD1-SD 3.62Å; I135-M171 HydrophobicContact CG1-CG 4.48Å; Y138-M171 HydrophobicContact CD1-SD 4.07Å; Y138-M171 HydrophobicContact CE1-SD 3.82Å; R167-M171 PolarHBondContact O-N 2.77Å; I168-M171 HydrophobicContact CG2-CE 4.48Å; I168-M171 WeakPolarHBondContact O-CB 3.47Å; I168-M171 PolarHBondContact O-N 2.98Å; I168-M171 VanDerWaalsContact O-N 3.07Å; F169-M171 VanDerWaalsContact C-N 3.27Å; F169-M171 PolarHBondContact O-N 3.36Å; M171-I175 HydrophobicContact CE-CD1 3.61Å
172	N	98.6	Very high	98.7	Very high	56 Å²	56	41.7 Å²	41.7	30%	0.299	21%	0.205	S	C	.	.			trans	-159.8	103.2	-177.2	-179.3	0.5	0	0	0	109.7	I168 F169 S174 I175	I168-N172 PolarHBondContact O-N 3.1Å; F169-N172 CarbonylContact O-C 3.41Å; F169-N172 PolarHBondContact O-N 2.98Å; N172-S174 PolarHBondContact O-N 2.93Å; N172-S174 PolarHBondContact OD1-N 2.92Å; N172-I175 HydrophobicContact CB-CB 4.15Å; N172-I175 WeakPolarHBondContact O-CB 3.37Å; N172-I175 WeakPolarHBondContact O-CG2 3.45Å; N172-I175 PolarHBondContact O-N 2.94Å; N172-I175 PolarHBondContact OD1-N 3.31Å
173	S	98.6	Very high	98.8	Very high	52 Å²	52	35.1 Å²	35.1	36%	0.364	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-21.5	178.9	53.7	0	0	0	0	113.2	F169 Q248	F169-S173 PolarHBondContact O-N 3.27Å; F169-S173 VanDerWaalsContact O-N 3.16Å; S173-Q248 PolarHBondContact O-NE2 3.22Å; S173-Q248 PolarHBondContact O-OE1 3.22Å
174	S	98.6	Very high	98.8	Very high	87 Å²	87	32 Å²	32	61%	0.608	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.8	12	-179.8	-52.5	0	0	0	0	114	N172 Q248	N172-S174 PolarHBondContact O-N 2.93Å; N172-S174 PolarHBondContact OD1-N 2.92Å; S174-Q248 VanDerWaalsContact C-NE2 3.29Å
175	I	98.8	Very high	98.8	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.005	16%	0.161	C	C	.	.			trans	-67.2	146.5	-177.9	-161	166.7	0	0	0	112.3	P90 R91 I93 I168 M171 N172 L177 F244 Q248	P90-I175 WeakPolarHBondContact O-CD1 3.32Å; R91-I175 WeakPolarHBondContact O-CG1 3.43Å; I93-I175 HydrophobicContact CD1-CD1 3.59Å; I93-I175 HydrophobicContact CG1-CD1 3.72Å; I168-I175 HydrophobicContact CG2-CG2 3.76Å; M171-I175 HydrophobicContact CE-CD1 3.61Å; N172-I175 HydrophobicContact CB-CB 4.15Å; N172-I175 WeakPolarHBondContact O-CB 3.37Å; N172-I175 WeakPolarHBondContact O-CG2 3.45Å; N172-I175 PolarHBondContact O-N 2.94Å; N172-I175 PolarHBondContact OD1-N 3.31Å; I175-L177 HydrophobicContact CG2-CD2 3.88Å; I175-L177 HydrophobicContact CG2-CG 4.18Å; I175-F244 HydrophobicContact CG2-CE1 3.85Å; I175-F244 HydrophobicContact CG2-CZ 4.26Å; I175-Q248 PolarHBondContact O-NE2 3.44Å
176	K	98.9	Very high	98.7	Very high	45 Å²	45	34.1 Å²	34.1	20%	0.196	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	134.3	173.2	-70.8	-174.5	-178.7	178.8	0	111.3	R91 A92 I93 F271 L272 N273	R91-K176 PolarHBondContact O-N 3.07Å; A92-K176 WeakPolarHBondContact CA-O 3.38Å; A92-K176 HydrophobicContact CB-CB 4.15Å; I93-K176 PolarHBondContact N-O 3.04Å; I93-K176 VanDerWaalsContact N-O 3.08Å; K176-F271 HydrophobicContact CB-CE1 3.7Å; K176-F271 HydrophobicContact CB-CZ 3.79Å; K176-F271 HydrophobicContact CD-CD1 4.45Å; K176-F271 HydrophobicContact CD-CE1 4.11Å; K176-F271 HydrophobicContact CD-CZ 4.16Å; K176-F271 WeakPolarHBondContact CD-O 3.41Å; K176-F271 VanDerWaalsContact CE-O 3.32Å; K176-F271 WeakPolarHBondContact CE-O 3.49Å; K176-F271 HydrophobicContact CG-CE1 4.17Å; K176-F271 HydrophobicContact CG-CZ 3.96Å; K176-F271 PolarHBondContact NZ-O 2.88Å; K176-L272 HydrophobicContact CB-CD2 4.2Å; K176-L272 HydrophobicContact CD-CD2 4.04Å; K176-N273 PolarHBondContact NZ-ND2 2.82Å; K176-N273 PolarHBondContact NZ-OD1 2.74Å
177	L	98.9	Very high	98.7	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	126.5	-174.8	-61	173.5	0	0	0	110.3	I93 I95 I168 I175 W240 F244 Q248 F249 H250	I93-L177 HydrophobicContact CB-CD2 4.34Å; I95-L177 HydrophobicContact CD1-CB 4.3Å; I95-L177 HydrophobicContact CG2-CD2 3.82Å; I168-L177 HydrophobicContact CG2-CD2 4.47Å; I175-L177 HydrophobicContact CG2-CD2 3.88Å; I175-L177 HydrophobicContact CG2-CG 4.18Å; L177-W240 HydrophobicContact CD1-CE3 3.71Å; L177-W240 HydrophobicContact CD1-CZ3 3.71Å; L177-W240 HydrophobicContact CD2-CZ3 4.2Å; L177-F244 HydrophobicContact CD1-CB 4.35Å; L177-F244 HydrophobicContact CD1-CD1 4.23Å; L177-F244 HydrophobicContact CD1-CD2 3.72Å; L177-F244 HydrophobicContact CD1-CE1 4.46Å; L177-F244 HydrophobicContact CD1-CE2 3.98Å; L177-F244 HydrophobicContact CD1-CG 3.84Å; L177-F244 HydrophobicContact CD1-CZ 4.33Å; L177-Q248 PolarHBondContact N-O 2.98Å; L177-F249 HydrophobicContact CB-CD1 3.69Å; L177-F249 HydrophobicContact CB-CE1 3.84Å; L177-F249 HydrophobicContact CB-CG 4.43Å; L177-F249 HydrophobicContact CD1-CD1 4.06Å; L177-F249 HydrophobicContact CD1-CE1 3.35Å; L177-F249 HydrophobicContact CD1-CE2 4.43Å; L177-F249 HydrophobicContact CD1-CZ 3.55Å; L177-F249 HydrophobicContact CG-CE1 4.24Å; L177-F249 CarbonylContact O-C 3.59Å; L177-F249 WeakPolarHBondContact O-CA 3.48Å; L177-H250 PolarHBondContact O-N 2.99Å
178	L	98.9	Very high	98.7	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	127.1	177.1	-71.2	166.7	0	0	0	109.7	I93 I94 I95 L109 H250 V252 V268 F271 L272	I93-L178 PolarHBondContact O-N 2.87Å; I94-L178 WeakPolarHBondContact CA-O 3.49Å; I94-L178 HydrophobicContact CB-CB 4.38Å; I94-L178 HydrophobicContact CG1-CB 3.88Å; I94-L178 HydrophobicContact CG1-CD1 3.89Å; I95-L178 PolarHBondContact N-O 3.41Å; L109-L178 HydrophobicContact CD1-CD1 3.99Å; L178-H250 HydrophobicContact CD2-CB 3.87Å; L178-V252 HydrophobicContact CD2-CG2 4.36Å; L178-V268 HydrophobicContact CD1-CG1 3.99Å; L178-V268 HydrophobicContact CD2-CG1 3.79Å; L178-V268 HydrophobicContact CD2-CG2 4.28Å; L178-F271 HydrophobicContact CD2-CD1 3.92Å; L178-F271 HydrophobicContact CD2-CE1 4.04Å; L178-F271 HydrophobicContact CG-CE1 4.4Å; L178-L272 HydrophobicContact CD1-CD1 4.44Å
179	I	98.9	Very high	98.7	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	119.4	173.5	-55.1	170	0	0	0	107.3	I95 G96 V97 F159 V181 L237 F249 H250 I251 V252	I95-I179 HydrophobicContact CD1-CD1 4.04Å; I95-I179 HydrophobicContact CD1-CG1 3.71Å; I95-I179 HydrophobicContact CG1-CG1 3.73Å; G96-I179 CarbonylContact O-C 3.6Å; G96-I179 WeakPolarHBondContact O-CA 3.48Å; V97-I179 HydrophobicContact CG2-CG2 3.89Å; F159-I179 HydrophobicContact CD2-CD1 4.18Å; F159-I179 HydrophobicContact CD2-CG1 4.43Å; F159-I179 HydrophobicContact CD2-CG2 4.46Å; F159-I179 HydrophobicContact CE2-CD1 3.73Å; F159-I179 HydrophobicContact CE2-CG1 4.37Å; F159-I179 HydrophobicContact CE2-CG2 4.19Å; F159-I179 HydrophobicContact CZ-CG2 4.48Å; I179-V181 HydrophobicContact CG2-CG1 3.86Å; I179-L237 HydrophobicContact CD1-CD1 4Å; I179-F249 HydrophobicContact CD1-CD1 3.65Å; I179-F249 HydrophobicContact CD1-CE1 4.22Å; I179-F249 HydrophobicContact CG1-CD1 4.31Å; I179-H250 PolarHBondContact N-O 3.15Å; I179-I251 HydrophobicContact CB-CD1 3.86Å; I179-I251 HydrophobicContact CD1-CD1 3.69Å; I179-I251 HydrophobicContact CG1-CD1 4.19Å; I179-I251 CarbonylContact O-C 3.19Å; I179-I251 VanDerWaalsContact O-CA 3.27Å; I179-I251 WeakPolarHBondContact O-CA 3.31Å; I179-V252 PolarHBondContact O-N 2.92Å
180	I	98.9	Very high	98.7	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	121.4	170.3	-174.8	174.5	0	0	0	110.1	G96 V97 G100 T102 L105 V252 L257	G96-I180 WeakPolarHBondContact O-CG2 3.27Å; G96-I180 PolarHBondContact O-N 2.88Å; V97-I180 PolarHBondContact N-O 3.06Å; G100-I180 VanDerWaalsContact O-CD1 3.3Å; G100-I180 WeakPolarHBondContact O-CD1 3.34Å; G100-I180 VanDerWaalsContact O-CG1 3.3Å; G100-I180 WeakPolarHBondContact O-CG1 3.41Å; T102-I180 HydrophobicContact CG2-CG2 3.46Å; T102-I180 VanDerWaalsContact CG2-CG2 3.46Å; L105-I180 HydrophobicContact CB-CD1 4.19Å; L105-I180 HydrophobicContact CD2-CB 4.12Å; L105-I180 HydrophobicContact CD2-CG2 4.29Å; I180-V252 WeakPolarHBondContact CA-O 3.4Å; I180-V252 HydrophobicContact CB-CB 3.95Å; I180-V252 HydrophobicContact CB-CG1 4.39Å; I180-V252 HydrophobicContact CD1-CG1 4.02Å; I180-V252 HydrophobicContact CG1-CB 3.98Å; I180-V252 HydrophobicContact CG1-CG1 3.96Å; I180-L257 HydrophobicContact CD1-CB 4.5Å; I180-L257 HydrophobicContact CD1-CD2 3.41Å; I180-L257 VanDerWaalsContact CD1-CD2 3.41Å
181	V	98.8	Very high	98.7	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	158.7	-177.5	-68.4	0	0	0	0	110.6	V97 I179 Y233 I251 V252 G254 F334 F342 W344	V97-V181 HydrophobicContact CG2-CG1 3.98Å; I179-V181 HydrophobicContact CG2-CG1 3.86Å; V181-Y233 HydrophobicContact CB-CD2 4.13Å; V181-Y233 HydrophobicContact CB-CE2 3.81Å; V181-Y233 HydrophobicContact CG1-CD1 4.31Å; V181-Y233 HydrophobicContact CG1-CD2 3.84Å; V181-Y233 HydrophobicContact CG1-CE1 4.39Å; V181-Y233 HydrophobicContact CG1-CE2 3.94Å; V181-Y233 HydrophobicContact CG1-CG 4.06Å; V181-I251 HydrophobicContact CG1-CG2 4.42Å; V181-I251 HydrophobicContact CG2-CG2 3.63Å; V181-V252 PolarHBondContact N-O 3.34Å; V181-V252 VanDerWaalsContact N-O 3.1Å; V181-G254 WeakPolarHBondContact O-CA 3.27Å; V181-G254 PolarHBondContact O-N 3.1Å; V181-F334 HydrophobicContact CG1-CE1 4.4Å; V181-F334 HydrophobicContact CG1-CZ 3.95Å; V181-F334 HydrophobicContact CG2-CE1 4.16Å; V181-F334 HydrophobicContact CG2-CZ 4.41Å; V181-F342 HydrophobicContact CG2-CD1 4.21Å; V181-F342 HydrophobicContact CG2-CE1 3.7Å; V181-F342 HydrophobicContact CG2-CZ 3.89Å; V181-W344 HydrophobicContact CB-CH2 3.96Å; V181-W344 HydrophobicContact CB-CZ2 4.1Å; V181-W344 HydrophobicContact CG2-CH2 3.75Å; V181-W344 HydrophobicContact CG2-CZ2 3.78Å
182	R	97.9	Very high	98.7	Very high	42 Å²	42	18.3 Å²	18.3	16%	0.158	11%	0.105	C	C	.	.			trans	-138.3	170.6	174.1	-70.5	-172.6	66.5	-170.8	1.2	108.7	G100 P184 Y233 D255 W344	G100-R182 WeakPolarHBondContact O-CD 3.43Å; G100-R182 WeakPolarHBondContact O-CG 3.18Å; R182-P184 WeakPolarHBondContact O-CD 3.48Å; R182-P184 VanDerWaalsContact O-N 3.09Å; R182-Y233 WeakPolarHBondContact O-CE2 3.3Å; R182-Y233 PolarHBondContact O-OH 2.87Å; R182-D255 WeakPolarHBondContact CA-OD2 3.4Å; R182-D255 WeakPolarHBondContact CB-OD1 3.45Å; R182-D255 IonicContact CZ-OD1 3.85Å; R182-D255 IonicContact NE-OD1 3.12Å; R182-D255 PolarHBondContact NE-OD1 3.34Å; R182-D255 IonicContact NH2-OD1 3.3Å; R182-D255 PolarHBondContact NH2-OD1 2.75Å; R182-W344 WeakPolarHBondContact O-CZ2 3.36Å
183	E	98.7	Very high	98.7	Very high	15 Å²	15	15.9 Å²	15.9	7%	0.07	9%	0.092	C	C	.	.			trans	-45.7	119.1	172.1	-167	-77.8	122.1	0	0	110	T185 T186 R187 D255 W344 P345	E183-T185 VanDerWaalsContact C-N 3.29Å; E183-T185 PolarHBondContact O-N 2.86Å; E183-T185 WeakPolarHBondContact OE1-CB 3.5Å; E183-T185 PolarHBondContact OE1-N 3.35Å; E183-T185 PolarHBondContact OE1-OG1 3.3Å; E183-T185 VanDerWaalsContact OE2-CB 3.32Å; E183-T185 WeakPolarHBondContact OE2-CB 3.43Å; E183-T185 PolarHBondContact OE2-N 3.37Å; E183-T186 WeakPolarHBondContact O-CB 3.49Å; E183-T186 PolarHBondContact O-N 3.21Å; E183-T186 VanDerWaalsContact OE2-CB 3.25Å; E183-T186 WeakPolarHBondContact OE2-CB 3.36Å; E183-T186 PolarHBondContact OE2-N 3.26Å; E183-T186 PolarHBondContact OE2-OG1 3.02Å; E183-R187 WeakPolarHBondContact O-CB 3.34Å; E183-R187 PolarHBondContact O-N 3.38Å; E183-D255 PolarHBondContact N-OD2 3.21Å; E183-W344 HydrophobicContact CB-CG 4.13Å; E183-W344 HydrophobicContact CG-CB 4.06Å; E183-W344 HydrophobicContact CG-CG 4.02Å; E183-P345 HydrophobicContact CG-CG 4.19Å
184	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	-52.3	-39.3	-169.5	-33.9	36.8	0	0	0	115.3	R182 A188 S231 Y233 F327 N331 W344	R182-P184 WeakPolarHBondContact O-CD 3.48Å; R182-P184 VanDerWaalsContact O-N 3.09Å; P184-A188 WeakPolarHBondContact O-CB 3.42Å; P184-A188 PolarHBondContact O-N 3.44Å; P184-S231 WeakPolarHBondContact O-CB 3.42Å; P184-S231 PolarHBondContact O-OG 3.17Å; P184-Y233 HydrophobicContact CG-CE2 3.99Å; P184-F327 HydrophobicContact CB-CB 3.96Å; P184-F327 HydrophobicContact CB-CD1 3.93Å; P184-F327 HydrophobicContact CB-CD2 3.51Å; P184-F327 HydrophobicContact CB-CE1 4.31Å; P184-F327 HydrophobicContact CB-CE2 3.92Å; P184-F327 HydrophobicContact CB-CG 3.53Å; P184-F327 HydrophobicContact CB-CZ 4.31Å; P184-F327 HydrophobicContact CG-CB 4.22Å; P184-F327 HydrophobicContact CG-CG 4.3Å; P184-N331 VanDerWaalsContact CG-OD1 3.27Å; P184-N331 WeakPolarHBondContact CG-OD1 3.42Å; P184-W344 VanDerWaalsContact CD-CE3 3.47Å; P184-W344 HydrophobicContact CG-CD2 4.4Å; P184-W344 HydrophobicContact CG-CE3 3.81Å; P184-W344 HydrophobicContact CG-CZ3 4.08Å
185	T	98.8	Very high	98.6	Very high	3 Å²	3	14.1 Å²	14.1	2%	0.018	7%	0.071	C	C	.	.	H	α-helix	trans	-69.5	-50.4	179.9	-48.2	0	0	0	0	110.1	E183 R187 A188 V189 V320 L323	E183-T185 VanDerWaalsContact C-N 3.29Å; E183-T185 PolarHBondContact O-N 2.86Å; E183-T185 WeakPolarHBondContact OE1-CB 3.5Å; E183-T185 PolarHBondContact OE1-N 3.35Å; E183-T185 PolarHBondContact OE1-OG1 3.3Å; E183-T185 VanDerWaalsContact OE2-CB 3.32Å; E183-T185 WeakPolarHBondContact OE2-CB 3.43Å; E183-T185 PolarHBondContact OE2-N 3.37Å; T185-R187 VanDerWaalsContact C-N 3.28Å; T185-R187 PolarHBondContact O-N 3.44Å; T185-A188 WeakPolarHBondContact O-CA 3.49Å; T185-A188 WeakPolarHBondContact O-CB 3.49Å; T185-A188 PolarHBondContact O-N 3.22Å; T185-V189 WeakPolarHBondContact O-CG2 3.39Å; T185-V189 PolarHBondContact O-N 3.12Å; T185-V320 HydrophobicContact CG2-CG1 4.33Å; T185-L323 HydrophobicContact CG2-CB 3.85Å; T185-L323 HydrophobicContact CG2-CD1 3.88Å
186	T	98.6	Very high	98.6	Very high	43 Å²	43	15.5 Å²	15.5	26%	0.264	8%	0.078	S	C	.	.	H	α-helix	trans	-57.6	-41	175.2	-61.4	0	0	0	0	111.3	E183 V189 S190	E183-T186 WeakPolarHBondContact O-CB 3.49Å; E183-T186 PolarHBondContact O-N 3.21Å; E183-T186 VanDerWaalsContact OE2-CB 3.25Å; E183-T186 WeakPolarHBondContact OE2-CB 3.36Å; E183-T186 PolarHBondContact OE2-N 3.26Å; E183-T186 PolarHBondContact OE2-OG1 3.02Å; T186-V189 PolarHBondContact O-N 2.55Å; T186-S190 WeakPolarHBondContact O-CB 3.2Å; T186-S190 PolarHBondContact O-N 3.36Å
187	R	98.8	Very high	98.4	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-63.6	-42.5	175	-166.6	-128.2	64.8	85.2	4.1	111.5	R98 K99 E183 T185 S190 D191 A227 S231 Y233	R98-R187 WeakPolarHBondContact O-CD 3.43Å; R98-R187 PolarHBondContact O-NH1 2.72Å; K99-R187 HydrophobicContact CB-CG 4.1Å; E183-R187 WeakPolarHBondContact O-CB 3.34Å; E183-R187 PolarHBondContact O-N 3.38Å; T185-R187 VanDerWaalsContact C-N 3.28Å; T185-R187 PolarHBondContact O-N 3.44Å; R187-S190 PolarHBondContact O-N 3.14Å; R187-D191 IonicContact CZ-OD2 3.55Å; R187-D191 IonicContact NH1-OD2 3.37Å; R187-D191 PolarHBondContact NH1-OD2 2.67Å; R187-D191 IonicContact NH2-OD2 3.44Å; R187-D191 PolarHBondContact NH2-OD2 3.41Å; R187-D191 PolarHBondContact O-N 3.41Å; R187-A227 PolarHBondContact NH2-O 3.27Å; R187-S231 PolarHBondContact NE-OG 3.37Å; R187-S231 PolarHBondContact NH2-OG 3.38Å; R187-Y233 WeakPolarHBondContact CB-OH 3.29Å; R187-Y233 WeakPolarHBondContact CD-OH 3.36Å
188	A	98.8	Very high	98.3	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-64.4	-44.7	177.6	0	0	0	0	0	111.9	P184 T185 D191 Y192 F209 A227	P184-A188 WeakPolarHBondContact O-CB 3.42Å; P184-A188 PolarHBondContact O-N 3.44Å; T185-A188 WeakPolarHBondContact O-CA 3.49Å; T185-A188 WeakPolarHBondContact O-CB 3.49Å; T185-A188 PolarHBondContact O-N 3.22Å; A188-D191 WeakPolarHBondContact O-CB 3.49Å; A188-D191 PolarHBondContact O-N 3.26Å; A188-Y192 PolarHBondContact O-N 2.82Å; A188-F209 HydrophobicContact CB-CE2 4.33Å; A188-F209 HydrophobicContact CB-CZ 4.19Å; A188-A227 HydrophobicContact CB-CB 4.19Å
189	V	98.7	Very high	98.2	Very high	11 Å²	11	21.7 Å²	21.7	7%	0.067	11%	0.113	C	C	.	.	H	α-helix	trans	-60.9	-45.3	174	176.1	0	0	0	0	110.5	T185 T186 D191 Y192 T193 F209 H312 P313 V315	T185-V189 WeakPolarHBondContact O-CG2 3.39Å; T185-V189 PolarHBondContact O-N 3.12Å; T186-V189 PolarHBondContact O-N 2.55Å; V189-D191 PolarHBondContact O-N 3.03Å; V189-Y192 WeakPolarHBondContact O-CB 3.26Å; V189-Y192 PolarHBondContact O-N 3.38Å; V189-Y192 VanDerWaalsContact O-N 3.15Å; V189-T193 PolarHBondContact O-N 3.36Å; V189-T193 PolarHBondContact O-OG1 3.33Å; V189-F209 HydrophobicContact CG2-CD1 4.34Å; V189-F209 HydrophobicContact CG2-CE1 3.88Å; V189-F209 HydrophobicContact CG2-CE2 4.22Å; V189-F209 HydrophobicContact CG2-CZ 3.81Å; V189-H312 HydrophobicContact CG1-CB 3.9Å; V189-P313 HydrophobicContact CG1-CG 4.2Å; V189-V315 HydrophobicContact CG1-CG2 4.29Å; V189-V315 HydrophobicContact CG2-CG2 3.96Å
190	S	98.5	Very high	98.1	Very high	9 Å²	9	26.6 Å²	26.6	6%	0.063	14%	0.136	C	C	.	.	H	α-helix	trans	-62.3	-29.6	177.6	-161.5	0	0	0	0	113.4	K99 T186 R187 Q194 H312	K99-S190 WeakPolarHBondContact CE-O 3.37Å; K99-S190 VanDerWaalsContact CE-OG 3.31Å; K99-S190 WeakPolarHBondContact CE-OG 3.36Å; K99-S190 PolarHBondContact NZ-O 3.11Å; K99-S190 PolarHBondContact NZ-OG 3.47Å; T186-S190 WeakPolarHBondContact O-CB 3.2Å; T186-S190 PolarHBondContact O-N 3.36Å; R187-S190 PolarHBondContact O-N 3.14Å; S190-Q194 PolarHBondContact O-N 2.86Å; S190-H312 WeakPolarHBondContact CB-NE2 3.42Å; S190-H312 PolarHBondContact OG-NE2 3.01Å
191	D	98.6	Very high	97.9	Very high	9 Å²	9	35.7 Å²	35.7	5%	0.048	17%	0.171	C	C	.	.	H	α-helix	trans	-71.2	-49.1	175	-155.4	-21.5	0	0	0	110.5	R98 K99 R187 A188 V189 T193 Q194 V195 A227	R98-D191 IonicContact CZ-OD1 3.47Å; R98-D191 IonicContact NE-OD1 3.12Å; R98-D191 PolarHBondContact NE-OD1 2.85Å; R98-D191 IonicContact NE-OD2 2.66Å; R98-D191 PolarHBondContact NE-OD2 2.94Å; R98-D191 IonicContact NH2-OD1 3.17Å; R98-D191 PolarHBondContact NH2-OD1 3.49Å; K99-D191 HydrophobicContact CG-CB 3.9Å; R187-D191 IonicContact CZ-OD2 3.55Å; R187-D191 IonicContact NH1-OD2 3.37Å; R187-D191 PolarHBondContact NH1-OD2 2.67Å; R187-D191 IonicContact NH2-OD2 3.44Å; R187-D191 PolarHBondContact NH2-OD2 3.41Å; R187-D191 PolarHBondContact O-N 3.41Å; A188-D191 WeakPolarHBondContact O-CB 3.49Å; A188-D191 PolarHBondContact O-N 3.26Å; V189-D191 PolarHBondContact O-N 3.03Å; D191-T193 PolarHBondContact O-N 2.97Å; D191-Q194 PolarHBondContact O-N 3.47Å; D191-V195 WeakPolarHBondContact O-CG2 3.45Å; D191-V195 PolarHBondContact O-N 2.93Å; D191-V195 VanDerWaalsContact O-N 3.14Å; D191-A227 HydrophobicContact CB-CB 4.01Å
192	Y	98.6	Very high	97.8	Very high	12 Å²	12	41.8 Å²	41.8	5%	0.047	20%	0.197	C	C	.	.	H	α-helix	trans	-52.6	-51.9	172.6	169	-94.9	0	0	0	111.9	A188 V189 Q194 V195 L196 Y206 H207 F209 L212 P313	A188-Y192 PolarHBondContact O-N 2.82Å; V189-Y192 WeakPolarHBondContact O-CB 3.26Å; V189-Y192 PolarHBondContact O-N 3.38Å; V189-Y192 VanDerWaalsContact O-N 3.15Å; Y192-Q194 VanDerWaalsContact C-N 3.27Å; Y192-Q194 PolarHBondContact O-N 2.67Å; Y192-V195 CarbonylContact O-C 3.59Å; Y192-V195 WeakPolarHBondContact O-CA 3.47Å; Y192-V195 PolarHBondContact O-N 2.85Å; Y192-L196 HydrophobicContact CE1-CB 4.3Å; Y192-L196 HydrophobicContact CE1-CD2 3.82Å; Y192-L196 WeakPolarHBondContact O-CB 3.5Å; Y192-L196 PolarHBondContact O-N 3.08Å; Y192-Y206 HydrophobicContact CD2-CD1 4.28Å; Y192-Y206 AromaticContact CD2-CE1 3.81Å; Y192-Y206 HydrophobicContact CD2-CE1 3.81Å; Y192-Y206 AromaticContact CE2-CD1 3.68Å; Y192-Y206 HydrophobicContact CE2-CD1 3.68Å; Y192-Y206 AromaticContact CE2-CE1 3.64Å; Y192-Y206 HydrophobicContact CE2-CE1 3.64Å; Y192-H207 VanDerWaalsContact CE2-O 3.24Å; Y192-H207 WeakPolarHBondContact CE2-O 3.39Å; Y192-H207 PolarHBondContact OH-O 2.87Å; Y192-F209 HydrophobicContact CD1-CB 3.98Å; Y192-F209 HydrophobicContact CD1-CD2 4.18Å; Y192-F209 HydrophobicContact CD1-CG 4.48Å; Y192-F209 HydrophobicContact CD2-CB 4.1Å; Y192-F209 AromaticContact CD2-CD2 3.93Å; Y192-F209 HydrophobicContact CD2-CD2 3.93Å; Y192-F209 HydrophobicContact CE1-CB 4.01Å; Y192-F209 HydrophobicContact CE2-CB 4.12Å; Y192-F209 HydrophobicContact CG-CB 4.04Å; Y192-F209 AromaticContact CG-CD2 3.61Å; Y192-F209 HydrophobicContact CG-CD2 3.61Å; Y192-F209 HydrophobicContact CG-CG 4.28Å; Y192-L212 HydrophobicContact CD2-CD1 3.9Å; Y192-L212 HydrophobicContact CE2-CD1 3.81Å; Y192-P313 HydrophobicContact CD1-CG 3.93Å; Y192-P313 HydrophobicContact CE1-CG 3.8Å
193	T	98.5	Very high	97.7	Very high	5 Å²	5	47.4 Å²	47.4	3%	0.031	23%	0.231	C	C	.	.	H	α-helix	trans	-55.9	-41.6	-179.2	-50.6	0	0	0	0	112	V189 D191 V195 L196 E197 R310 I311 P313	V189-T193 PolarHBondContact O-N 3.36Å; V189-T193 PolarHBondContact O-OG1 3.33Å; D191-T193 PolarHBondContact O-N 2.97Å; T193-V195 VanDerWaalsContact C-N 3.34Å; T193-V195 PolarHBondContact O-N 3.48Å; T193-L196 PolarHBondContact O-N 2.75Å; T193-E197 PolarHBondContact O-N 3.29Å; T193-R310 HydrophobicContact CG2-CB 3.99Å; T193-I311 WeakPolarHBondContact CG2-O 3.37Å; T193-P313 WeakPolarHBondContact OG1-CD 3.46Å
194	Q	98.1	Very high	97.7	Very high	64 Å²	64	52.7 Å²	52.7	30%	0.299	25%	0.253	S	S	.	.	H	α-helix	trans	-68.3	-34.2	178	174.6	175.2	-26.1	0	0	112.5	S190 D191 Y192 G198	S190-Q194 PolarHBondContact O-N 2.86Å; D191-Q194 PolarHBondContact O-N 3.47Å; Y192-Q194 VanDerWaalsContact C-N 3.27Å; Y192-Q194 PolarHBondContact O-N 2.67Å; Q194-G198 PolarHBondContact O-N 3.41Å
195	V	97.9	Very high	97.5	Very high	38 Å²	38	59.3 Å²	59.3	23%	0.23	29%	0.294	C	S	.	.	H	α-helix	trans	-70.8	-43.7	175.2	177.1	0	0	0	0	110.4	D191 Y192 T193 G198 K199 Y206	D191-V195 WeakPolarHBondContact O-CG2 3.45Å; D191-V195 PolarHBondContact O-N 2.93Å; D191-V195 VanDerWaalsContact O-N 3.14Å; Y192-V195 CarbonylContact O-C 3.59Å; Y192-V195 WeakPolarHBondContact O-CA 3.47Å; Y192-V195 PolarHBondContact O-N 2.85Å; T193-V195 VanDerWaalsContact C-N 3.34Å; T193-V195 PolarHBondContact O-N 3.48Å; V195-G198 PolarHBondContact O-N 3.49Å; V195-K199 HydrophobicContact CG1-CG 4.42Å; V195-K199 VanDerWaalsContact O-CG 3.32Å; V195-K199 WeakPolarHBondContact O-CG 3.29Å; V195-K199 PolarHBondContact O-N 3.49Å; V195-Y206 HydrophobicContact CB-CE1 4.31Å; V195-Y206 HydrophobicContact CG1-CD1 4.46Å; V195-Y206 HydrophobicContact CG1-CE1 3.77Å; V195-Y206 HydrophobicContact CG1-CE2 4.02Å
196	L	97.5	Very high	97.4	Very high	30 Å²	30	62.5 Å²	62.5	16%	0.157	31%	0.306	C	S	.	.	H	α-helix	trans	-55.6	-57.3	177.2	177	63.3	0	0	0	111.1	Y192 T193 G198 K199 E200 Y206	Y192-L196 HydrophobicContact CE1-CB 4.3Å; Y192-L196 HydrophobicContact CE1-CD2 3.82Å; Y192-L196 WeakPolarHBondContact O-CB 3.5Å; Y192-L196 PolarHBondContact O-N 3.08Å; T193-L196 PolarHBondContact O-N 2.75Å; L196-G198 PolarHBondContact O-N 3.39Å; L196-G198 VanDerWaalsContact O-N 3.16Å; L196-K199 WeakPolarHBondContact O-CA 3.33Å; L196-K199 WeakPolarHBondContact O-CB 3.13Å; L196-K199 PolarHBondContact O-N 3.36Å; L196-E200 HydrophobicContact CD1-CG 4.21Å; L196-E200 HydrophobicContact CG-CG 4.42Å; L196-E200 WeakPolarHBondContact O-CG 3.31Å; L196-E200 PolarHBondContact O-N 3.08Å; L196-Y206 HydrophobicContact CB-CD1 4.43Å; L196-Y206 HydrophobicContact CD1-CD1 4.35Å
197	E	96	Very high	97.3	Very high	73 Å²	73	66.2 Å²	66.2	34%	0.341	32%	0.32	S	S	.	.	H	α-helix	trans	-57	-36.7	177.1	-75.9	-176.9	-162.3	0	0	112.4	T193 K199 E200 R201 R310	T193-E197 PolarHBondContact O-N 3.29Å; E197-K199 VanDerWaalsContact C-N 3.26Å; E197-K199 PolarHBondContact O-N 3.32Å; E197-E200 PolarHBondContact O-N 2.85Å; E197-R201 WeakPolarHBondContact O-CB 3.36Å; E197-R201 PolarHBondContact O-N 3.04Å; E197-R310 VanDerWaalsContact CD-CD 3.46Å; E197-R310 WeakPolarHBondContact OE1-CD 3.43Å; E197-R310 WeakPolarHBondContact OE1-CG 3.4Å; E197-R310 IonicContact OE1-NE 2.69Å; E197-R310 PolarHBondContact OE1-NE 2.83Å; E197-R310 VanDerWaalsContact OE1-NE 3.12Å; E197-R310 WeakPolarHBondContact OE2-CD 3.48Å; E197-R310 IonicContact OE2-CZ 3.34Å; E197-R310 IonicContact OE2-NE 3.08Å; E197-R310 PolarHBondContact OE2-NE 3.25Å; E197-R310 IonicContact OE2-NH2 2.81Å; E197-R310 PolarHBondContact OE2-NH2 3.41Å
198	G	96.6	Very high	97.3	Very high	25 Å²	25	73 Å²	73	26%	0.258	35%	0.35	S	S	.	.	H	α-helix	trans	-66	-28.1	177.2	0	0	0	0	0	113.6	Q194 V195 L196 K202	Q194-G198 PolarHBondContact O-N 3.41Å; V195-G198 PolarHBondContact O-N 3.49Å; L196-G198 PolarHBondContact O-N 3.39Å; L196-G198 VanDerWaalsContact O-N 3.16Å; G198-K202 WeakPolarHBondContact O-CG 3.37Å
199	K	96.7	Very high	97.2	Very high	76 Å²	76	73.1 Å²	73.1	33%	0.33	35%	0.35	S	S	.	.	H	α-helix	trans	-82.3	-44.5	174.9	-68.1	-79	-174.8	167	0	110.9	V195 L196 E197 R201 K202 N203 K204 Y206	V195-K199 HydrophobicContact CG1-CG 4.42Å; V195-K199 VanDerWaalsContact O-CG 3.32Å; V195-K199 WeakPolarHBondContact O-CG 3.29Å; V195-K199 PolarHBondContact O-N 3.49Å; L196-K199 WeakPolarHBondContact O-CA 3.33Å; L196-K199 WeakPolarHBondContact O-CB 3.13Å; L196-K199 PolarHBondContact O-N 3.36Å; E197-K199 VanDerWaalsContact C-N 3.26Å; E197-K199 PolarHBondContact O-N 3.32Å; K199-R201 PolarHBondContact O-N 3.37Å; K199-K202 CarbonylContact O-C 3.37Å; K199-K202 WeakPolarHBondContact O-CA 3.44Å; K199-K202 WeakPolarHBondContact O-CB 3.38Å; K199-K202 PolarHBondContact O-N 3.2Å; K199-N203 PolarHBondContact O-N 3.28Å; K199-K204 CarbonylContact C-O 3.4Å; K199-K204 HydrophobicContact CB-CB 4.28Å; K199-K204 HydrophobicContact CD-CB 4.13Å; K199-K204 PolarHBondContact O-N 2.77Å; K199-Y206 HydrophobicContact CD-CD2 4.32Å; K199-Y206 HydrophobicContact CG-CD2 3.98Å; K199-Y206 HydrophobicContact CG-CG 4.17Å
200	E	95.5	Very high	97.2	Very high	103 Å²	103	74.4 Å²	74.4	48%	0.481	36%	0.356	S	S	.	.	H	α-helix	trans	-58.7	-45.8	177	-70.3	171.3	159.9	0	0	111.6	L196 E197 K202 N203	L196-E200 HydrophobicContact CD1-CG 4.21Å; L196-E200 HydrophobicContact CG-CG 4.42Å; L196-E200 WeakPolarHBondContact O-CG 3.31Å; L196-E200 PolarHBondContact O-N 3.08Å; E197-E200 PolarHBondContact O-N 2.85Å; E200-K202 PolarHBondContact O-N 2.86Å; E200-N203 WeakPolarHBondContact O-CA 3.36Å; E200-N203 PolarHBondContact O-N 3.06Å; E200-N203 PolarHBondContact O-OD1 3.05Å
201	R	95.8	Very high	97.2	Very high	191 Å²	191	79.2 Å²	79.2	72%	0.721	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-19.8	174.6	-171.3	179.2	59.5	78.8	-2.8	113.6	E197 K199	E197-R201 WeakPolarHBondContact O-CB 3.36Å; E197-R201 PolarHBondContact O-N 3.04Å; K199-R201 PolarHBondContact O-N 3.37Å
202	K	96.8	Very high	97.2	Very high	129 Å²	129	80.1 Å²	80.1	56%	0.561	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102	12	176.4	-64.7	-179.1	-179.8	-174.5	0	112.2	G198 K199 E200 K204	G198-K202 WeakPolarHBondContact O-CG 3.37Å; K199-K202 CarbonylContact O-C 3.37Å; K199-K202 WeakPolarHBondContact O-CA 3.44Å; K199-K202 WeakPolarHBondContact O-CB 3.38Å; K199-K202 PolarHBondContact O-N 3.2Å; E200-K202 PolarHBondContact O-N 2.86Å; K202-K204 HydrophobicContact CB-CG 4.28Å; K202-K204 PolarHBondContact O-N 2.64Å
203	N	96.4	Very high	97.1	Very high	160 Å²	160	79.6 Å²	79.6	86%	0.856	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.6	40.9	-174.7	-60	-27.6	0	0	0	112.7	K199 E200	K199-N203 PolarHBondContact O-N 3.28Å; E200-N203 WeakPolarHBondContact O-CA 3.36Å; E200-N203 PolarHBondContact O-N 3.06Å; E200-N203 PolarHBondContact O-OD1 3.05Å
204	K	96.9	Very high	97.1	Very high	125 Å²	125	80.6 Å²	80.6	54%	0.543	39%	0.388	S	S	.	.			trans	-112.3	139.8	176.9	-63.9	-169.8	178.7	-166	0	110.3	K199 K202	K199-K204 CarbonylContact C-O 3.4Å; K199-K204 HydrophobicContact CB-CB 4.28Å; K199-K204 HydrophobicContact CD-CB 4.13Å; K199-K204 PolarHBondContact O-N 2.77Å; K202-K204 HydrophobicContact CB-CG 4.28Å; K202-K204 PolarHBondContact O-N 2.64Å
205	T	95	Very high	97.1	Very high	140 Å²	140	79.9 Å²	79.9	86%	0.859	39%	0.387	S	S	*	.			trans	-71.2	155.8	171.4	55.7	0	0	0	0	111.2
206	Y	96.9	Very high	96.9	Very high	69 Å²	69	82.5 Å²	82.5	27%	0.271	41%	0.412	S	S	.	.			trans	-146.5	145.3	174.8	-157	-122.9	0	0	0	109.2	Y192 V195 L196 K199 L212	Y192-Y206 HydrophobicContact CD2-CD1 4.28Å; Y192-Y206 AromaticContact CD2-CE1 3.81Å; Y192-Y206 HydrophobicContact CD2-CE1 3.81Å; Y192-Y206 AromaticContact CE2-CD1 3.68Å; Y192-Y206 HydrophobicContact CE2-CD1 3.68Å; Y192-Y206 AromaticContact CE2-CE1 3.64Å; Y192-Y206 HydrophobicContact CE2-CE1 3.64Å; V195-Y206 HydrophobicContact CB-CE1 4.31Å; V195-Y206 HydrophobicContact CG1-CD1 4.46Å; V195-Y206 HydrophobicContact CG1-CE1 3.77Å; V195-Y206 HydrophobicContact CG1-CE2 4.02Å; L196-Y206 HydrophobicContact CB-CD1 4.43Å; L196-Y206 HydrophobicContact CD1-CD1 4.35Å; K199-Y206 HydrophobicContact CD-CD2 4.32Å; K199-Y206 HydrophobicContact CG-CD2 3.98Å; K199-Y206 HydrophobicContact CG-CG 4.17Å; Y206-L212 HydrophobicContact CD1-CD1 4.28Å; Y206-L212 HydrophobicContact CE1-CD1 3.54Å
207	H	96.9	Very high	96.8	Very high	122 Å²	122	88.3 Å²	88.3	57%	0.565	44%	0.443	S	S	*	.			trans	-69.9	153.6	179.6	-61.5	-67.9	0	0	0	110.9	Y192 N211 L212	Y192-H207 VanDerWaalsContact CE2-O 3.24Å; Y192-H207 WeakPolarHBondContact CE2-O 3.39Å; Y192-H207 PolarHBondContact OH-O 2.87Å; H207-N211 HydrophobicContact CB-CB 4.3Å; H207-L212 HydrophobicContact CB-CD1 4.42Å; H207-L212 HydrophobicContact CB-CD2 3.99Å; H207-L212 HydrophobicContact CB-CG 4Å
208	K	97.6	Very high	96.9	Very high	142 Å²	142	89 Å²	89	62%	0.617	45%	0.452	S	S	*	.			trans	-57.1	155.8	170.2	-66.7	-168.9	175.6	-173.7	0	111.3	E210 N211 L212	K208-E210 VanDerWaalsContact C-N 3.29Å; K208-E210 WeakPolarHBondContact CB-OE2 3.5Å; K208-E210 PolarHBondContact O-N 3.45Å; K208-N211 PolarHBondContact O-N 2.88Å; K208-L212 PolarHBondContact O-N 3.47Å
209	F	98.4	Very high	96.8	Very high	2 Å²	2	91.3 Å²	91.3	1%	0.009	46%	0.464	C	S	.	.	H	α-helix	trans	-59.8	-41.6	-177.3	177	-104.1	0	0	0	111.8	A188 V189 Y192 N211 L212 A213 Y225 V315 V319 L323	A188-F209 HydrophobicContact CB-CE2 4.33Å; A188-F209 HydrophobicContact CB-CZ 4.19Å; V189-F209 HydrophobicContact CG2-CD1 4.34Å; V189-F209 HydrophobicContact CG2-CE1 3.88Å; V189-F209 HydrophobicContact CG2-CE2 4.22Å; V189-F209 HydrophobicContact CG2-CZ 3.81Å; Y192-F209 HydrophobicContact CD1-CB 3.98Å; Y192-F209 HydrophobicContact CD1-CD2 4.18Å; Y192-F209 HydrophobicContact CD1-CG 4.48Å; Y192-F209 HydrophobicContact CD2-CB 4.1Å; Y192-F209 AromaticContact CD2-CD2 3.93Å; Y192-F209 HydrophobicContact CD2-CD2 3.93Å; Y192-F209 HydrophobicContact CE1-CB 4.01Å; Y192-F209 HydrophobicContact CE2-CB 4.12Å; Y192-F209 HydrophobicContact CG-CB 4.04Å; Y192-F209 AromaticContact CG-CD2 3.61Å; Y192-F209 HydrophobicContact CG-CD2 3.61Å; Y192-F209 HydrophobicContact CG-CG 4.28Å; F209-N211 PolarHBondContact O-N 2.85Å; F209-L212 PolarHBondContact O-N 3.01Å; F209-L212 VanDerWaalsContact O-N 3.07Å; F209-A213 HydrophobicContact CD1-CB 4.2Å; F209-A213 HydrophobicContact CE1-CB 3.84Å; F209-A213 HydrophobicContact CE2-CB 4.21Å; F209-A213 HydrophobicContact CZ-CB 3.85Å; F209-A213 VanDerWaalsContact O-CB 3.28Å; F209-A213 WeakPolarHBondContact O-CB 2.96Å; F209-A213 PolarHBondContact O-N 3.49Å; F209-Y225 HydrophobicContact CD2-CE1 4.21Å; F209-Y225 AromaticContact CE2-CE1 3.97Å; F209-Y225 HydrophobicContact CE2-CE1 3.97Å; F209-V315 HydrophobicContact CB-CG2 4.41Å; F209-V315 HydrophobicContact CD1-CB 4.43Å; F209-V315 HydrophobicContact CD1-CG1 3.64Å; F209-V315 HydrophobicContact CD1-CG2 3.83Å; F209-V315 HydrophobicContact CE1-CG1 4.05Å; F209-V315 HydrophobicContact CE1-CG2 4.47Å; F209-V315 HydrophobicContact CG-CG2 4.33Å; F209-V319 HydrophobicContact CE1-CG1 4.48Å; F209-L323 HydrophobicContact CE1-CD1 3.55Å; F209-L323 HydrophobicContact CZ-CD1 3.8Å
210	E	98.2	Very high	96.8	Very high	39 Å²	39	93.1 Å²	93.1	18%	0.182	47%	0.474	C	S	.	.	H	α-helix	trans	-56.7	-48.3	179.7	-61.2	83.2	175.2	0	0	111.1	K208 L212 A213 I214 V315 D316 V319	K208-E210 VanDerWaalsContact C-N 3.29Å; K208-E210 WeakPolarHBondContact CB-OE2 3.5Å; K208-E210 PolarHBondContact O-N 3.45Å; E210-L212 PolarHBondContact O-N 3.39Å; E210-L212 VanDerWaalsContact O-N 3.16Å; E210-A213 PolarHBondContact O-N 2.65Å; E210-I214 WeakPolarHBondContact O-CB 3.32Å; E210-I214 PolarHBondContact O-N 3.24Å; E210-V315 WeakPolarHBondContact OE1-CA 3.47Å; E210-D316 HydrophobicContact CG-CB 4.23Å; E210-D316 PolarHBondContact OE1-N 3.17Å; E210-D316 VanDerWaalsContact OE1-N 3.12Å; E210-V319 HydrophobicContact CB-CG2 4.23Å; E210-V319 HydrophobicContact CG-CB 4.29Å; E210-V319 HydrophobicContact CG-CG1 4.33Å; E210-V319 HydrophobicContact CG-CG2 3.8Å
211	N	97.6	Very high	97	Very high	109 Å²	109	88.9 Å²	88.9	58%	0.583	46%	0.455	S	S	*	.	H	α-helix	trans	-65.6	-20	-179.9	-62.7	5.5	0	0	0	113.2	H207 K208 F209	H207-N211 HydrophobicContact CB-CB 4.3Å; K208-N211 PolarHBondContact O-N 2.88Å; F209-N211 PolarHBondContact O-N 2.85Å
212	L	98.2	Very high	97.1	Very high	29 Å²	29	81.4 Å²	81.4	15%	0.152	43%	0.429	C	S	.	.	H	α-helix	trans	-94.2	-39.7	177	-63.3	173.8	0	0	0	111.5	Y192 Y206 H207 K208 F209 E210 N222 Y225	Y192-L212 HydrophobicContact CD2-CD1 3.9Å; Y192-L212 HydrophobicContact CE2-CD1 3.81Å; Y206-L212 HydrophobicContact CD1-CD1 4.28Å; Y206-L212 HydrophobicContact CE1-CD1 3.54Å; H207-L212 HydrophobicContact CB-CD1 4.42Å; H207-L212 HydrophobicContact CB-CD2 3.99Å; H207-L212 HydrophobicContact CB-CG 4Å; K208-L212 PolarHBondContact O-N 3.47Å; F209-L212 PolarHBondContact O-N 3.01Å; F209-L212 VanDerWaalsContact O-N 3.07Å; E210-L212 PolarHBondContact O-N 3.39Å; E210-L212 VanDerWaalsContact O-N 3.16Å; L212-N222 WeakPolarHBondContact O-CB 3.32Å; L212-N222 PolarHBondContact O-ND2 3.23Å; L212-Y225 HydrophobicContact CB-CD1 4.02Å; L212-Y225 HydrophobicContact CB-CD2 4.28Å; L212-Y225 HydrophobicContact CB-CE1 3.88Å; L212-Y225 HydrophobicContact CB-CE2 4.19Å; L212-Y225 HydrophobicContact CB-CG 4.24Å; L212-Y225 HydrophobicContact CD1-CE2 4.26Å; L212-Y225 WeakPolarHBondContact O-CB 3.4Å
213	A	98.3	Very high	97.1	Very high	0 Å²	0	78.6 Å²	78.6	0%	0	42%	0.423	C	S	.	.	H	α-helix	trans	-84	-21.9	-173.8	0	0	0	0	0	113.4	F209 E210 N222 Y225 V228 L323	F209-A213 HydrophobicContact CD1-CB 4.2Å; F209-A213 HydrophobicContact CE1-CB 3.84Å; F209-A213 HydrophobicContact CE2-CB 4.21Å; F209-A213 HydrophobicContact CZ-CB 3.85Å; F209-A213 VanDerWaalsContact O-CB 3.28Å; F209-A213 WeakPolarHBondContact O-CB 2.96Å; F209-A213 PolarHBondContact O-N 3.49Å; E210-A213 PolarHBondContact O-N 2.65Å; A213-N222 WeakPolarHBondContact O-CB 3.35Å; A213-N222 PolarHBondContact O-N 3.17Å; A213-Y225 HydrophobicContact CB-CD1 4.23Å; A213-V228 HydrophobicContact CB-CG2 4.26Å; A213-L323 HydrophobicContact CB-CD1 4.4Å
214	I	98.4	Very high	97.2	Very high	27 Å²	27	78.7 Å²	78.7	14%	0.138	42%	0.416	C	S	.	.	B	Isolated β-bridge	trans	-115.2	135.2	177.6	-55	-57	0	0	0	109.2	E210 E220 V221 V319 K322	E210-I214 WeakPolarHBondContact O-CB 3.32Å; E210-I214 PolarHBondContact O-N 3.24Å; I214-E220 CarbonylContact C-O 3.59Å; I214-E220 WeakPolarHBondContact CA-O 3.47Å; I214-V221 HydrophobicContact CD1-CG2 4.24Å; I214-V319 HydrophobicContact CD1-CG1 4.15Å; I214-V319 HydrophobicContact CG1-CG1 3.95Å; I214-V319 HydrophobicContact CG1-CG2 4.08Å; I214-K322 HydrophobicContact CD1-CD 3.89Å; I214-K322 HydrophobicContact CD1-CG 4.4Å
215	D	97.2	Very high	97.2	Very high	49 Å²	49	74 Å²	74	26%	0.262	40%	0.395	S	S	.	.			trans	-77.9	126	173.9	178.3	-79.5	0	0	0	109.8	N217 T218 C219 E220 N222	D215-N217 VanDerWaalsContact C-N 3.28Å; D215-N217 PolarHBondContact O-N 3.37Å; D215-N217 PolarHBondContact OD1-N 2.65Å; D215-T218 WeakPolarHBondContact CB-OG1 3.44Å; D215-T218 PolarHBondContact OD1-N 2.66Å; D215-T218 PolarHBondContact OD1-OG1 3.19Å; D215-C219 WeakPolarHBondContact O-CA 3.34Å; D215-C219 PolarHBondContact O-N 2.82Å; D215-E220 PolarHBondContact N-O 3.45Å; D215-N222 HydrophobicContact CB-CB 4.45Å
216	A	94.6	Very high	97.4	Very high	93 Å²	93	75.2 Å²	75.2	77%	0.769	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-22.6	-172.2	0	0	0	0	0	114.1
217	N	95.6	Very high	97.4	Very high	152 Å²	152	72 Å²	72	81%	0.813	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88	-39.7	-177.5	-61.9	-40.2	0	0	0	111.4	D215	D215-N217 VanDerWaalsContact C-N 3.28Å; D215-N217 PolarHBondContact O-N 3.37Å; D215-N217 PolarHBondContact OD1-N 2.65Å
218	T	96.4	Very high	97.5	Very high	86 Å²	86	66.2 Å²	66.2	53%	0.528	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.4	-15.8	-175.8	57.9	0	0	0	0	113	D215 E220	D215-T218 WeakPolarHBondContact CB-OG1 3.44Å; D215-T218 PolarHBondContact OD1-N 2.66Å; D215-T218 PolarHBondContact OD1-OG1 3.19Å; T218-E220 PolarHBondContact O-N 3.12Å; T218-E220 VanDerWaalsContact O-N 3.15Å; T218-E220 PolarHBondContact OG1-N 3.41Å
219	C	95.4	Very high	97.6	Very high	75 Å²	75	64.5 Å²	64.5	51%	0.507	34%	0.339	S	S	.	.			trans	57.6	16.4	-167.7	-62.6	0	0	0	0	113.3	D215 K322	D215-C219 WeakPolarHBondContact O-CA 3.34Å; D215-C219 PolarHBondContact O-N 2.82Å; C219-K322 WeakPolarHBondContact O-CD 3.09Å; C219-K322 PolarHBondContact O-NZ 3.39Å
220	E	97.8	Very high	97.6	Very high	113 Å²	113	64.8 Å²	64.8	53%	0.528	34%	0.341	S	S	.	.	S	Bend	trans	-99.6	167.7	-179	-72.5	-56.3	137.3	0	0	112.7	I214 D215 T218 N222	I214-E220 CarbonylContact C-O 3.59Å; I214-E220 WeakPolarHBondContact CA-O 3.47Å; D215-E220 PolarHBondContact N-O 3.45Å; T218-E220 PolarHBondContact O-N 3.12Å; T218-E220 VanDerWaalsContact O-N 3.15Å; T218-E220 PolarHBondContact OG1-N 3.41Å; E220-N222 PolarHBondContact O-N 3.28Å
221	V	98.4	Very high	97.6	Very high	15 Å²	15	63 Å²	63	9%	0.091	33%	0.332	C	S	.	.	B	Isolated β-bridge	trans	-62.3	123.9	178.9	175.2	0	0	0	0	111.3	I214 T223 V228 K322 L323 F326	I214-V221 HydrophobicContact CD1-CG2 4.24Å; V221-T223 PolarHBondContact O-N 2.98Å; V221-T223 VanDerWaalsContact O-N 3.09Å; V221-V228 HydrophobicContact CG1-CG1 3.58Å; V221-V228 HydrophobicContact CG1-CG2 4.27Å; V221-K322 HydrophobicContact CG2-CD 4.49Å; V221-K322 HydrophobicContact CG2-CG 3.89Å; V221-L323 HydrophobicContact CB-CD2 4.45Å; V221-L323 HydrophobicContact CG1-CD2 3.69Å; V221-L323 HydrophobicContact CG2-CD2 3.88Å; V221-F326 HydrophobicContact CB-CB 4.21Å; V221-F326 HydrophobicContact CB-CD1 4.3Å; V221-F326 HydrophobicContact CB-CD2 3.84Å; V221-F326 HydrophobicContact CB-CE2 4.31Å; V221-F326 HydrophobicContact CB-CG 3.84Å; V221-F326 HydrophobicContact CG1-CB 4.47Å; V221-F326 HydrophobicContact CG1-CD1 3.73Å; V221-F326 HydrophobicContact CG1-CD2 4.04Å; V221-F326 HydrophobicContact CG1-CE1 3.93Å; V221-F326 HydrophobicContact CG1-CE2 4.23Å; V221-F326 HydrophobicContact CG1-CG 3.8Å; V221-F326 HydrophobicContact CG1-CZ 4.19Å; V221-F326 HydrophobicContact CG2-CB 3.64Å; V221-F326 HydrophobicContact CG2-CD1 4.43Å; V221-F326 HydrophobicContact CG2-CD2 4.21Å; V221-F326 HydrophobicContact CG2-CG 3.84Å
222	N	98.4	Very high	97.7	Very high	34 Å²	34	58.3 Å²	58.3	18%	0.182	31%	0.307	C	S	.	.			trans	-77.8	93	179.5	-176.9	1.7	0	0	0	111.9	L212 A213 D215 E220 K224 Y225	L212-N222 WeakPolarHBondContact O-CB 3.32Å; L212-N222 PolarHBondContact O-ND2 3.23Å; A213-N222 WeakPolarHBondContact O-CB 3.35Å; A213-N222 PolarHBondContact O-N 3.17Å; D215-N222 HydrophobicContact CB-CB 4.45Å; E220-N222 PolarHBondContact O-N 3.28Å; N222-K224 PolarHBondContact O-N 3.3Å; N222-K224 WeakPolarHBondContact OD1-CA 3.44Å; N222-K224 VanDerWaalsContact OD1-CB 3.24Å; N222-K224 WeakPolarHBondContact OD1-CB 3.39Å; N222-K224 PolarHBondContact OD1-N 2.93Å; N222-Y225 WeakPolarHBondContact O-CB 3.16Å; N222-Y225 PolarHBondContact O-N 3.46Å; N222-Y225 VanDerWaalsContact O-N 3.09Å; N222-Y225 PolarHBondContact OD1-N 2.89Å
223	T	97.3	Very high	97.7	Very high	69 Å²	69	57 Å²	57	42%	0.423	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-10.3	176.7	65.4	0	0	0	0	114.3	V221 Y225 R229 F326	V221-T223 PolarHBondContact O-N 2.98Å; V221-T223 VanDerWaalsContact O-N 3.09Å; T223-Y225 VanDerWaalsContact C-N 3.33Å; T223-R229 PolarHBondContact O-NE 3.37Å; T223-F326 HydrophobicContact CG2-CE2 3.78Å; T223-F326 HydrophobicContact CG2-CZ 3.61Å
224	K	97.2	Very high	97.7	Very high	163 Å²	163	57.2 Å²	57.2	71%	0.709	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-25.1	171.7	-58.4	176.1	-177.8	169.6	0	111.7	N222 K226	N222-K224 PolarHBondContact O-N 3.3Å; N222-K224 WeakPolarHBondContact OD1-CA 3.44Å; N222-K224 VanDerWaalsContact OD1-CB 3.24Å; N222-K224 WeakPolarHBondContact OD1-CB 3.39Å; N222-K224 PolarHBondContact OD1-N 2.93Å; K224-K226 PolarHBondContact O-N 2.84Å
225	Y	98.4	Very high	97.7	Very high	26 Å²	26	61 Å²	61	10%	0.102	32%	0.317	C	S	.	.	S	Bend	trans	-68.2	123	177.8	-177.7	-144.9	0	0	0	111.2	F209 L212 A213 N222 T223 A227 V228 R229	F209-Y225 HydrophobicContact CD2-CE1 4.21Å; F209-Y225 AromaticContact CE2-CE1 3.97Å; F209-Y225 HydrophobicContact CE2-CE1 3.97Å; L212-Y225 HydrophobicContact CB-CD1 4.02Å; L212-Y225 HydrophobicContact CB-CD2 4.28Å; L212-Y225 HydrophobicContact CB-CE1 3.88Å; L212-Y225 HydrophobicContact CB-CE2 4.19Å; L212-Y225 HydrophobicContact CB-CG 4.24Å; L212-Y225 HydrophobicContact CD1-CE2 4.26Å; L212-Y225 WeakPolarHBondContact O-CB 3.4Å; A213-Y225 HydrophobicContact CB-CD1 4.23Å; N222-Y225 WeakPolarHBondContact O-CB 3.16Å; N222-Y225 PolarHBondContact O-N 3.46Å; N222-Y225 VanDerWaalsContact O-N 3.09Å; N222-Y225 PolarHBondContact OD1-N 2.89Å; T223-Y225 VanDerWaalsContact C-N 3.33Å; Y225-A227 HydrophobicContact CD1-CB 4.03Å; Y225-A227 HydrophobicContact CE1-CB 3.49Å; Y225-A227 VanDerWaalsContact CE1-CB 3.49Å; Y225-A227 HydrophobicContact CE2-CB 4.14Å; Y225-A227 PolarHBondContact O-N 3.45Å; Y225-V228 HydrophobicContact CD1-CG2 3.93Å; Y225-V228 PolarHBondContact O-N 3.13Å; Y225-V228 VanDerWaalsContact O-N 3.08Å; Y225-R229 PolarHBondContact O-N 3.1Å
226	K	97.8	Very high	97.7	Very high	165 Å²	165	59.1 Å²	59.1	72%	0.717	31%	0.306	S	S	*	.	H	α-helix	trans	-57.3	-34.7	-173.8	-68.5	-174.7	178.8	-176.2	0	113.2	K224 T230	K224-K226 PolarHBondContact O-N 2.84Å; K226-T230 VanDerWaalsContact O-CB 3.28Å; K226-T230 WeakPolarHBondContact O-CB 3.49Å; K226-T230 PolarHBondContact O-N 2.84Å; K226-T230 PolarHBondContact O-OG1 3.12Å
227	A	98.3	Very high	97.9	Very high	2 Å²	2	54.7 Å²	54.7	2%	0.017	27%	0.27	C	S	.	.	H	α-helix	trans	-68.9	-41.3	178.7	0	0	0	0	0	111.7	R187 A188 D191 Y225 S231	R187-A227 PolarHBondContact NH2-O 3.27Å; A188-A227 HydrophobicContact CB-CB 4.19Å; D191-A227 HydrophobicContact CB-CB 4.01Å; Y225-A227 HydrophobicContact CD1-CB 4.03Å; Y225-A227 HydrophobicContact CE1-CB 3.49Å; Y225-A227 VanDerWaalsContact CE1-CB 3.49Å; Y225-A227 HydrophobicContact CE2-CB 4.14Å; Y225-A227 PolarHBondContact O-N 3.45Å; A227-S231 PolarHBondContact O-N 3.45Å; A227-S231 PolarHBondContact O-OG 3.13Å
228	V	98.7	Very high	98.1	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-63.8	-50.7	173.3	171	0	0	0	0	110.1	A213 V221 Y225 T230 S231 L323 F326 F327	A213-V228 HydrophobicContact CB-CG2 4.26Å; V221-V228 HydrophobicContact CG1-CG1 3.58Å; V221-V228 HydrophobicContact CG1-CG2 4.27Å; Y225-V228 HydrophobicContact CD1-CG2 3.93Å; Y225-V228 PolarHBondContact O-N 3.13Å; Y225-V228 VanDerWaalsContact O-N 3.08Å; V228-T230 VanDerWaalsContact C-N 3.35Å; V228-T230 PolarHBondContact O-N 3.19Å; V228-S231 WeakPolarHBondContact O-CB 3.43Å; V228-S231 PolarHBondContact O-N 2.99Å; V228-L323 HydrophobicContact CG2-CD2 4.07Å; V228-F326 HydrophobicContact CG1-CE1 3.82Å; V228-F326 HydrophobicContact CG1-CZ 4.37Å; V228-F327 HydrophobicContact CG1-CE1 4.28Å; V228-F327 HydrophobicContact CG1-CZ 4.09Å
229	R	98.4	Very high	98.2	Very high	107 Å²	107	49 Å²	49	40%	0.404	23%	0.231	S	C	.	.	H	α-helix	trans	-57.5	-44.9	-177.7	-170.7	-176.1	-59.4	-177.4	-0.7	113	T223 Y225 S231 I232 H236	T223-R229 PolarHBondContact O-NE 3.37Å; Y225-R229 PolarHBondContact O-N 3.1Å; R229-S231 PolarHBondContact O-N 3.05Å; R229-I232 WeakPolarHBondContact O-CB 3.3Å; R229-I232 PolarHBondContact O-N 3.1Å; R229-I232 VanDerWaalsContact O-N 3.09Å; R229-H236 PolarHBondContact O-NE2 3.2Å
230	T	98.6	Very high	98.3	Very high	8 Å²	8	45.5 Å²	45.5	5%	0.049	21%	0.207	C	C	.	.	H	α-helix	trans	-62.8	-27.8	179.3	-59.1	0	0	0	0	112.4	V97 I160 K226 V228 I232	V97-T230 HydrophobicContact CG1-CG2 3.59Å; I160-T230 HydrophobicContact CG2-CG2 3.91Å; K226-T230 VanDerWaalsContact O-CB 3.28Å; K226-T230 WeakPolarHBondContact O-CB 3.49Å; K226-T230 PolarHBondContact O-N 2.84Å; K226-T230 PolarHBondContact O-OG1 3.12Å; V228-T230 VanDerWaalsContact C-N 3.35Å; V228-T230 PolarHBondContact O-N 3.19Å; T230-I232 VanDerWaalsContact C-N 3.28Å; T230-I232 PolarHBondContact O-N 2.74Å
231	S	98.8	Very high	98.4	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-8.4	177.4	-69.5	0	0	0	0	113.5	P184 R187 A227 V228 R229 Y233	P184-S231 WeakPolarHBondContact O-CB 3.42Å; P184-S231 PolarHBondContact O-OG 3.17Å; R187-S231 PolarHBondContact NE-OG 3.37Å; R187-S231 PolarHBondContact NH2-OG 3.38Å; A227-S231 PolarHBondContact O-N 3.45Å; A227-S231 PolarHBondContact O-OG 3.13Å; V228-S231 WeakPolarHBondContact O-CB 3.43Å; V228-S231 PolarHBondContact O-N 2.99Å; R229-S231 PolarHBondContact O-N 3.05Å; S231-Y233 PolarHBondContact O-N 3.14Å
232	I	98.7	Very high	98.4	Very high	12 Å²	12	49.9 Å²	49.9	6%	0.062	23%	0.225	C	C	.	.			trans	-82.3	71.7	174.3	-51.3	174.5	0	0	0	108.8	R229 T230 T234 K235 H236 F326 F327 F330	R229-I232 WeakPolarHBondContact O-CB 3.3Å; R229-I232 PolarHBondContact O-N 3.1Å; R229-I232 VanDerWaalsContact O-N 3.09Å; T230-I232 VanDerWaalsContact C-N 3.28Å; T230-I232 PolarHBondContact O-N 2.74Å; I232-T234 VanDerWaalsContact C-N 3.3Å; I232-T234 HydrophobicContact CG2-CG2 4.25Å; I232-T234 PolarHBondContact O-N 3.33Å; I232-K235 HydrophobicContact CB-CB 4.45Å; I232-K235 HydrophobicContact CG2-CB 3.84Å; I232-K235 PolarHBondContact O-N 3.46Å; I232-H236 PolarHBondContact O-CD2 3.43Å; I232-H236 VanDerWaalsContact O-CD2 3.3Å; I232-F326 HydrophobicContact CD1-CE1 4.16Å; I232-F326 HydrophobicContact CD1-CZ 3.97Å; I232-F326 HydrophobicContact CG1-CE1 4.26Å; I232-F327 HydrophobicContact CG1-CD1 4.49Å; I232-F327 HydrophobicContact CG1-CE1 4.11Å; I232-F330 HydrophobicContact CG2-CB 4.17Å; I232-F330 HydrophobicContact CG2-CD1 3.59Å; I232-F330 HydrophobicContact CG2-CD2 4.22Å; I232-F330 HydrophobicContact CG2-CE1 3.97Å; I232-F330 HydrophobicContact CG2-CG 3.73Å; I232-F330 HydrophobicContact CG2-CZ 4.43Å
233	Y	98.8	Very high	98.4	Very high	2 Å²	2	52.2 Å²	52.2	1%	0.008	23%	0.232	C	C	.	.	H	α-helix	trans	-57.6	-39.8	-169.7	-56.3	-37.5	0	0	0	113.6	V97 F159 V181 R182 P184 R187 S231 K235 H236 L237 W344	V97-Y233 HydrophobicContact CB-CE1 4.31Å; V97-Y233 HydrophobicContact CG1-CE1 4.15Å; V97-Y233 HydrophobicContact CG2-CD1 4.04Å; V97-Y233 HydrophobicContact CG2-CE1 4.05Å; F159-Y233 HydrophobicContact CE1-CD1 4.24Å; V181-Y233 HydrophobicContact CB-CD2 4.13Å; V181-Y233 HydrophobicContact CB-CE2 3.81Å; V181-Y233 HydrophobicContact CG1-CD1 4.31Å; V181-Y233 HydrophobicContact CG1-CD2 3.84Å; V181-Y233 HydrophobicContact CG1-CE1 4.39Å; V181-Y233 HydrophobicContact CG1-CE2 3.94Å; V181-Y233 HydrophobicContact CG1-CG 4.06Å; R182-Y233 WeakPolarHBondContact O-CE2 3.3Å; R182-Y233 PolarHBondContact O-OH 2.87Å; P184-Y233 HydrophobicContact CG-CE2 3.99Å; R187-Y233 WeakPolarHBondContact CB-OH 3.29Å; R187-Y233 WeakPolarHBondContact CD-OH 3.36Å; S231-Y233 PolarHBondContact O-N 3.14Å; Y233-K235 VanDerWaalsContact C-N 3.32Å; Y233-K235 PolarHBondContact O-N 2.88Å; Y233-H236 PolarHBondContact O-N 3.08Å; Y233-H236 VanDerWaalsContact O-N 3.12Å; Y233-L237 PolarHBondContact O-N 3.37Å; Y233-W344 AromaticContact CD2-CH2 3.72Å; Y233-W344 HydrophobicContact CD2-CH2 3.72Å; Y233-W344 AromaticContact CD2-CZ3 3.82Å; Y233-W344 HydrophobicContact CD2-CZ3 3.82Å; Y233-W344 AromaticContact CE2-CH2 3.51Å; Y233-W344 HydrophobicContact CE2-CH2 3.51Å; Y233-W344 HydrophobicContact CE2-CZ2 4.27Å; Y233-W344 AromaticContact CE2-CZ3 3.79Å; Y233-W344 HydrophobicContact CE2-CZ3 3.79Å
234	T	98.4	Very high	98.5	Very high	4 Å²	4	49.1 Å²	49.1	3%	0.025	21%	0.213	C	C	.	.	H	α-helix	trans	-56.5	-43.6	179.9	-169.9	0	0	0	0	112.3	I232 H236 L237 E238 F330 K333 I337	I232-T234 VanDerWaalsContact C-N 3.3Å; I232-T234 HydrophobicContact CG2-CG2 4.25Å; I232-T234 PolarHBondContact O-N 3.33Å; T234-H236 PolarHBondContact O-N 3.41Å; T234-L237 PolarHBondContact O-N 3.47Å; T234-E238 WeakPolarHBondContact O-CG 3.14Å; T234-E238 PolarHBondContact O-N 3.24Å; T234-F330 HydrophobicContact CG2-CB 3.91Å; T234-F330 HydrophobicContact CG2-CD1 3.76Å; T234-F330 HydrophobicContact CG2-CG 4.31Å; T234-K333 HydrophobicContact CG2-CD 4.39Å; T234-K333 WeakPolarHBondContact OG1-CG 3.49Å; T234-I337 WeakPolarHBondContact OG1-CD1 3.28Å
235	K	97.9	Very high	98.6	Very high	107 Å²	107	44.2 Å²	44.2	47%	0.465	20%	0.197	S	C	.	.	H	α-helix	trans	-60.7	-35	179.7	175.8	174.8	-179.8	169.7	0	112.5	I232 Y233 R239	I232-K235 HydrophobicContact CB-CB 4.45Å; I232-K235 HydrophobicContact CG2-CB 3.84Å; I232-K235 PolarHBondContact O-N 3.46Å; Y233-K235 VanDerWaalsContact C-N 3.32Å; Y233-K235 PolarHBondContact O-N 2.88Å; K235-R239 PolarHBondContact O-NH1 2.96Å
236	H	98.8	Very high	98.6	Very high	8 Å²	8	45.5 Å²	45.5	4%	0.037	21%	0.208	C	C	.	.	H	α-helix	trans	-77.3	-50.2	178	-65	-65.1	0	0	0	110.1	F159 R229 I232 Y233 T234 E238 R239 W240	F159-H236 HydrophobicContact CD1-CB 3.8Å; F159-H236 HydrophobicContact CD2-CB 4.42Å; F159-H236 HydrophobicContact CE1-CB 3.31Å; F159-H236 AromaticContact CE1-CD2 3.99Å; F159-H236 AromaticContact CE1-CG 3.84Å; F159-H236 HydrophobicContact CE2-CB 3.97Å; F159-H236 HydrophobicContact CG-CB 4.35Å; F159-H236 HydrophobicContact CZ-CB 3.41Å; F159-H236 VanDerWaalsContact CZ-CB 3.41Å; R229-H236 PolarHBondContact O-NE2 3.2Å; I232-H236 PolarHBondContact O-CD2 3.43Å; I232-H236 VanDerWaalsContact O-CD2 3.3Å; Y233-H236 PolarHBondContact O-N 3.08Å; Y233-H236 VanDerWaalsContact O-N 3.12Å; T234-H236 PolarHBondContact O-N 3.41Å; H236-E238 VanDerWaalsContact C-N 3.3Å; H236-E238 PolarHBondContact O-N 2.94Å; H236-R239 PolarHBondContact ND1-NH1 3.3Å; H236-R239 VanDerWaalsContact ND1-NH1 3.16Å; H236-R239 PolarHBondContact ND1-NH2 3.12Å; H236-R239 WeakPolarHBondContact O-CB 3.32Å; H236-R239 PolarHBondContact O-N 3.13Å; H236-W240 VanDerWaalsContact O-CD1 3.29Å; H236-W240 PolarHBondContact O-N 2.97Å
237	L	98.8	Very high	98.6	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.005	21%	0.205	C	C	.	.	H	α-helix	trans	-56.4	-41.1	179.9	-177.1	59.7	0	0	0	112.5	I179 Y233 T234 R239 W240 L241 F249 F334 I337 T338	I179-L237 HydrophobicContact CD1-CD1 4Å; Y233-L237 PolarHBondContact O-N 3.37Å; T234-L237 PolarHBondContact O-N 3.47Å; L237-R239 PolarHBondContact O-N 2.87Å; L237-R239 VanDerWaalsContact O-N 3.17Å; L237-W240 WeakPolarHBondContact O-CA 3.47Å; L237-W240 WeakPolarHBondContact O-CB 3.39Å; L237-W240 PolarHBondContact O-N 3.49Å; L237-L241 HydrophobicContact CD1-CD1 4.5Å; L237-L241 HydrophobicContact CD1-CG 4.23Å; L237-L241 HydrophobicContact CG-CD1 3.95Å; L237-L241 HydrophobicContact CG-CG 4.17Å; L237-L241 WeakPolarHBondContact O-CG 3.45Å; L237-L241 PolarHBondContact O-N 3.31Å; L237-F249 HydrophobicContact CD1-CD1 4.36Å; L237-F249 HydrophobicContact CD1-CE1 4.44Å; L237-F334 HydrophobicContact CB-CE2 4.45Å; L237-F334 HydrophobicContact CD2-CD2 3.92Å; L237-F334 HydrophobicContact CD2-CE2 3.71Å; L237-I337 HydrophobicContact CD2-CB 4.38Å; L237-I337 HydrophobicContact CD2-CG2 3.56Å; L237-I337 HydrophobicContact CG-CG2 4.26Å; L237-T338 HydrophobicContact CD2-CG2 3.57Å
238	E	98.6	Very high	98.6	Very high	76 Å²	76	45.9 Å²	45.9	36%	0.355	21%	0.212	S	C	.	.	H	α-helix	trans	-57	-31.3	176.1	-75.8	-179.2	147.6	0	0	113.6	T234 H236 K333 I337	T234-E238 WeakPolarHBondContact O-CG 3.14Å; T234-E238 PolarHBondContact O-N 3.24Å; H236-E238 VanDerWaalsContact C-N 3.3Å; H236-E238 PolarHBondContact O-N 2.94Å; E238-K333 WeakPolarHBondContact OE1-CE 3.36Å; E238-K333 IonicContact OE1-NZ 2.59Å; E238-K333 PolarHBondContact OE1-NZ 3.27Å; E238-K333 IonicContact OE2-NZ 3.94Å; E238-I337 HydrophobicContact CG-CD1 4.3Å
239	R	98.6	Very high	98.6	Very high	43 Å²	43	46.7 Å²	46.7	16%	0.162	22%	0.216	C	C	.	.	H	α-helix	trans	-72.8	-37.6	174.7	-62.1	-165.5	-54.5	-88.1	7.2	112	I160 K235 H236 L237 L241 K242	I160-R239 PolarHBondContact O-NH2 3.11Å; K235-R239 PolarHBondContact O-NH1 2.96Å; H236-R239 PolarHBondContact ND1-NH1 3.3Å; H236-R239 VanDerWaalsContact ND1-NH1 3.16Å; H236-R239 PolarHBondContact ND1-NH2 3.12Å; H236-R239 WeakPolarHBondContact O-CB 3.32Å; H236-R239 PolarHBondContact O-N 3.13Å; L237-R239 PolarHBondContact O-N 2.87Å; L237-R239 VanDerWaalsContact O-N 3.17Å; R239-L241 VanDerWaalsContact C-N 3.34Å; R239-K242 WeakPolarHBondContact O-CB 3.45Å; R239-K242 PolarHBondContact O-N 2.87Å
240	W	98.9	Very high	98.6	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-67.1	-37.8	176.7	-76.9	86.8	0	0	0	111.7	I95 Y158 F159 V164 P165 I168 L177 H236 L237 K242 Y243 F244 F249	I95-W240 HydrophobicContact CB-CH2 3.81Å; I95-W240 HydrophobicContact CB-CZ2 3.99Å; I95-W240 HydrophobicContact CD1-CD2 3.73Å; I95-W240 HydrophobicContact CD1-CE3 3.73Å; I95-W240 HydrophobicContact CD1-CH2 3.54Å; I95-W240 HydrophobicContact CD1-CZ2 3.56Å; I95-W240 HydrophobicContact CD1-CZ3 3.64Å; I95-W240 HydrophobicContact CG1-CH2 4.27Å; I95-W240 HydrophobicContact CG1-CZ2 4.31Å; I95-W240 HydrophobicContact CG2-CH2 3.53Å; I95-W240 HydrophobicContact CG2-CZ2 4.23Å; I95-W240 HydrophobicContact CG2-CZ3 4.05Å; Y158-W240 WeakPolarHBondContact O-CZ2 3.48Å; F159-W240 AromaticContact CD2-NE1 3.78Å; F159-W240 PolarHBondContact O-NE1 3Å; V164-W240 HydrophobicContact CG1-CH2 3.81Å; V164-W240 HydrophobicContact CG1-CZ2 4Å; P165-W240 HydrophobicContact CB-CD2 4.16Å; P165-W240 HydrophobicContact CB-CE3 4.13Å; P165-W240 HydrophobicContact CG-CD2 3.75Å; P165-W240 HydrophobicContact CG-CE3 4.18Å; P165-W240 HydrophobicContact CG-CG 4.02Å; P165-W240 HydrophobicContact CG-CZ2 4.24Å; I168-W240 HydrophobicContact CD1-CH2 3.67Å; I168-W240 HydrophobicContact CD1-CZ3 3.99Å; L177-W240 HydrophobicContact CD1-CE3 3.71Å; L177-W240 HydrophobicContact CD1-CZ3 3.71Å; L177-W240 HydrophobicContact CD2-CZ3 4.2Å; H236-W240 VanDerWaalsContact O-CD1 3.29Å; H236-W240 PolarHBondContact O-N 2.97Å; L237-W240 WeakPolarHBondContact O-CA 3.47Å; L237-W240 WeakPolarHBondContact O-CB 3.39Å; L237-W240 PolarHBondContact O-N 3.49Å; W240-K242 PolarHBondContact O-N 2.92Å; W240-Y243 PolarHBondContact O-N 3.04Å; W240-F244 HydrophobicContact CE3-CD2 4.04Å; W240-F244 HydrophobicContact CE3-CE2 4.06Å; W240-F244 HydrophobicContact CZ3-CE2 4.16Å; W240-F244 PolarHBondContact O-N 2.8Å; W240-F249 HydrophobicContact CB-CE1 3.91Å; W240-F249 HydrophobicContact CB-CZ 3.68Å; W240-F249 HydrophobicContact CD2-CE1 4.31Å; W240-F249 HydrophobicContact CE3-CE1 4Å; W240-F249 HydrophobicContact CE3-CZ 4.21Å; W240-F249 HydrophobicContact CG-CE1 4.32Å; W240-F249 HydrophobicContact CG-CZ 4.47Å
241	L	98.8	Very high	98.6	Very high	54 Å²	54	43 Å²	43	28%	0.283	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-12.4	178.4	-68.8	173.6	0	0	0	114.3	L237 R239 Y243 F244 V246 F249 I337	L237-L241 HydrophobicContact CD1-CD1 4.5Å; L237-L241 HydrophobicContact CD1-CG 4.23Å; L237-L241 HydrophobicContact CG-CD1 3.95Å; L237-L241 HydrophobicContact CG-CG 4.17Å; L237-L241 WeakPolarHBondContact O-CG 3.45Å; L237-L241 PolarHBondContact O-N 3.31Å; R239-L241 VanDerWaalsContact C-N 3.34Å; L241-Y243 PolarHBondContact O-N 2.9Å; L241-F244 WeakPolarHBondContact CA-O 3.33Å; L241-V246 HydrophobicContact CD2-CB 3.95Å; L241-V246 HydrophobicContact CD2-CG2 4.34Å; L241-F249 HydrophobicContact CD2-CD2 4.29Å; L241-F249 HydrophobicContact CD2-CE2 3.99Å; L241-I337 HydrophobicContact CD1-CG2 3.48Å; L241-I337 VanDerWaalsContact CD1-CG2 3.48Å
242	K	98.8	Very high	98.7	Very high	167 Å²	167	43 Å²	43	73%	0.726	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-20.6	169.4	-63.1	-179.9	-179	-173.6	0	113	R239 W240	R239-K242 WeakPolarHBondContact O-CB 3.45Å; R239-K242 PolarHBondContact O-N 2.87Å; W240-K242 PolarHBondContact O-N 2.92Å
243	Y	98.9	Very high	98.7	Very high	83 Å²	83	43.1 Å²	43.1	33%	0.325	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116.8	-36.6	-174.3	-68.2	-81.8	0	0	0	112.8	P165 E166 F169 W240 L241	P165-Y243 HydrophobicContact CB-CD2 3.52Å; P165-Y243 HydrophobicContact CB-CE2 4.02Å; P165-Y243 HydrophobicContact CB-CG 4.2Å; E166-Y243 HydrophobicContact CB-CD1 4.38Å; E166-Y243 HydrophobicContact CB-CE1 3.66Å; E166-Y243 HydrophobicContact CB-CE2 4.2Å; E166-Y243 HydrophobicContact CG-CE1 3.69Å; F169-Y243 HydrophobicContact CB-CD1 4.05Å; F169-Y243 HydrophobicContact CB-CG 4.43Å; F169-Y243 HydrophobicContact CD1-CD1 4.33Å; F169-Y243 WeakPolarHBondContact CD2-O 3.41Å; F169-Y243 WeakPolarHBondContact CE2-O 3.48Å; F169-Y243 HydrophobicContact CG-CD1 4.09Å; W240-Y243 PolarHBondContact O-N 3.04Å; L241-Y243 PolarHBondContact O-N 2.9Å
244	F	98.9	Very high	98.6	Very high	3 Å²	3	43.1 Å²	43.1	1%	0.013	20%	0.204	C	C	.	.	S	Bend	trans	-121.5	138.5	-175	-59.6	-81.1	0	0	0	110.6	P165 I168 F169 I175 L177 W240 L241 F249	P165-F244 WeakPolarHBondContact O-CE2 3.18Å; I168-F244 HydrophobicContact CB-CZ 4.12Å; I168-F244 HydrophobicContact CG2-CE2 4.44Å; I168-F244 HydrophobicContact CG2-CZ 3.75Å; F169-F244 HydrophobicContact CB-CE1 4.19Å; F169-F244 HydrophobicContact CB-CE2 4.15Å; F169-F244 HydrophobicContact CB-CZ 3.68Å; F169-F244 HydrophobicContact CD2-CD1 4.19Å; F169-F244 AromaticContact CD2-CE1 3.9Å; F169-F244 HydrophobicContact CD2-CE1 3.9Å; F169-F244 HydrophobicContact CD2-CZ 4.19Å; F169-F244 HydrophobicContact CG-CZ 4.46Å; I175-F244 HydrophobicContact CG2-CE1 3.85Å; I175-F244 HydrophobicContact CG2-CZ 4.26Å; L177-F244 HydrophobicContact CD1-CB 4.35Å; L177-F244 HydrophobicContact CD1-CD1 4.23Å; L177-F244 HydrophobicContact CD1-CD2 3.72Å; L177-F244 HydrophobicContact CD1-CE1 4.46Å; L177-F244 HydrophobicContact CD1-CE2 3.98Å; L177-F244 HydrophobicContact CD1-CG 3.84Å; L177-F244 HydrophobicContact CD1-CZ 4.33Å; W240-F244 HydrophobicContact CE3-CD2 4.04Å; W240-F244 HydrophobicContact CE3-CE2 4.06Å; W240-F244 HydrophobicContact CZ3-CE2 4.16Å; W240-F244 PolarHBondContact O-N 2.8Å; L241-F244 WeakPolarHBondContact CA-O 3.33Å; F244-F249 HydrophobicContact CB-CE2 3.48Å; F244-F249 VanDerWaalsContact CB-CE2 3.48Å; F244-F249 HydrophobicContact CB-CZ 3.62Å; F244-F249 HydrophobicContact CD2-CZ 4.21Å; F244-F249 HydrophobicContact CG-CZ 4.25Å
245	P	98.4	Very high	98.6	Very high	60 Å²	60	44.8 Å²	44.8	39%	0.39	21%	0.213	S	C	.	.			trans	-69.2	153.5	174.5	35.5	-39	0	0	0	110.1	E247 Q248 F249	P245-E247 WeakPolarHBondContact CB-OE2 3.32Å; P245-E247 PolarHBondContact O-N 2.91Å; P245-E247 VanDerWaalsContact O-N 3.16Å; P245-Q248 VanDerWaalsContact CD-OE1 3.29Å; P245-Q248 HydrophobicContact CG-CB 4.39Å; P245-Q248 HydrophobicContact CG-CG 4Å; P245-Q248 VanDerWaalsContact CG-OE1 3.31Å; P245-Q248 PolarHBondContact O-N 2.8Å; P245-F249 WeakPolarHBondContact O-CD2 3.16Å; P245-F249 WeakPolarHBondContact O-CE2 3.44Å
246	V	98.1	Very high	98.7	Very high	53 Å²	53	46.3 Å²	46.3	32%	0.321	22%	0.215	S	C	.	.	G	3₁₀ helix	trans	-61.7	-28.7	-171.6	67.7	0	0	0	0	112.4	L241 Q248 F249	L241-V246 HydrophobicContact CD2-CB 3.95Å; L241-V246 HydrophobicContact CD2-CG2 4.34Å; V246-Q248 PolarHBondContact O-N 3.16Å; V246-F249 WeakPolarHBondContact O-CB 3.43Å; V246-F249 PolarHBondContact O-N 3.31Å
247	E	98.3	Very high	98.6	Very high	139 Å²	139	46.3 Å²	46.3	65%	0.65	22%	0.215	S	C	*	.	G	3₁₀ helix	trans	-66.3	-19.8	179.1	-58	74.2	-162.9	0	0	112.8	P245 F249 F271	P245-E247 WeakPolarHBondContact CB-OE2 3.32Å; P245-E247 PolarHBondContact O-N 2.91Å; P245-E247 VanDerWaalsContact O-N 3.16Å; E247-F249 VanDerWaalsContact C-N 3.27Å; E247-F271 WeakPolarHBondContact O-CE2 3.49Å
248	Q	98.8	Very high	98.5	Very high	37 Å²	37	48.5 Å²	48.5	17%	0.173	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-84	-0.8	173.1	-78.1	-178.6	-128.7	0	0	113.2	S173 S174 I175 L177 P245 V246 F271	S173-Q248 PolarHBondContact O-NE2 3.22Å; S173-Q248 PolarHBondContact O-OE1 3.22Å; S174-Q248 VanDerWaalsContact C-NE2 3.29Å; I175-Q248 PolarHBondContact O-NE2 3.44Å; L177-Q248 PolarHBondContact N-O 2.98Å; P245-Q248 VanDerWaalsContact CD-OE1 3.29Å; P245-Q248 HydrophobicContact CG-CB 4.39Å; P245-Q248 HydrophobicContact CG-CG 4Å; P245-Q248 VanDerWaalsContact CG-OE1 3.31Å; P245-Q248 PolarHBondContact O-N 2.8Å; V246-Q248 PolarHBondContact O-N 3.16Å; Q248-F271 WeakPolarHBondContact O-CZ 3.48Å
249	F	98.9	Very high	98.4	Very high	17 Å²	17	49.2 Å²	49.2	8%	0.075	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	140	173.4	-61.3	-92.6	0	0	0	111	I95 L177 I179 L237 W240 L241 F244 P245 V246 E247 I251	I95-F249 HydrophobicContact CD1-CE1 4.15Å; L177-F249 HydrophobicContact CB-CD1 3.69Å; L177-F249 HydrophobicContact CB-CE1 3.84Å; L177-F249 HydrophobicContact CB-CG 4.43Å; L177-F249 HydrophobicContact CD1-CD1 4.06Å; L177-F249 HydrophobicContact CD1-CE1 3.35Å; L177-F249 HydrophobicContact CD1-CE2 4.43Å; L177-F249 HydrophobicContact CD1-CZ 3.55Å; L177-F249 HydrophobicContact CG-CE1 4.24Å; L177-F249 CarbonylContact O-C 3.59Å; L177-F249 WeakPolarHBondContact O-CA 3.48Å; I179-F249 HydrophobicContact CD1-CD1 3.65Å; I179-F249 HydrophobicContact CD1-CE1 4.22Å; I179-F249 HydrophobicContact CG1-CD1 4.31Å; L237-F249 HydrophobicContact CD1-CD1 4.36Å; L237-F249 HydrophobicContact CD1-CE1 4.44Å; W240-F249 HydrophobicContact CB-CE1 3.91Å; W240-F249 HydrophobicContact CB-CZ 3.68Å; W240-F249 HydrophobicContact CD2-CE1 4.31Å; W240-F249 HydrophobicContact CE3-CE1 4Å; W240-F249 HydrophobicContact CE3-CZ 4.21Å; W240-F249 HydrophobicContact CG-CE1 4.32Å; W240-F249 HydrophobicContact CG-CZ 4.47Å; L241-F249 HydrophobicContact CD2-CD2 4.29Å; L241-F249 HydrophobicContact CD2-CE2 3.99Å; F244-F249 HydrophobicContact CB-CE2 3.48Å; F244-F249 VanDerWaalsContact CB-CE2 3.48Å; F244-F249 HydrophobicContact CB-CZ 3.62Å; F244-F249 HydrophobicContact CD2-CZ 4.21Å; F244-F249 HydrophobicContact CG-CZ 4.25Å; P245-F249 WeakPolarHBondContact O-CD2 3.16Å; P245-F249 WeakPolarHBondContact O-CE2 3.44Å; V246-F249 WeakPolarHBondContact O-CB 3.43Å; V246-F249 PolarHBondContact O-N 3.31Å; E247-F249 VanDerWaalsContact C-N 3.27Å; F249-I251 HydrophobicContact CB-CD1 4.3Å
250	H	98.9	Very high	98.3	Very high	27 Å²	27	49.9 Å²	49.9	13%	0.125	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	122.1	162.8	-179.8	74	0	0	0	110.3	L177 L178 I179 F271	L177-H250 PolarHBondContact O-N 2.99Å; L178-H250 HydrophobicContact CD2-CB 3.87Å; I179-H250 PolarHBondContact N-O 3.15Å; H250-F271 HydrophobicContact CB-CB 4.02Å; H250-F271 HydrophobicContact CB-CD1 3.33Å; H250-F271 HydrophobicContact CB-CD2 3.6Å; H250-F271 HydrophobicContact CB-CE1 3.51Å; H250-F271 HydrophobicContact CB-CE2 3.78Å; H250-F271 HydrophobicContact CB-CG 3.35Å; H250-F271 HydrophobicContact CB-CZ 3.73Å; H250-F271 AromaticContact CG-CG 3.82Å
251	I	98.8	Very high	98.3	Very high	11 Å²	11	50 Å²	50	6%	0.056	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	110.6	-178.8	-42.5	-57.7	0	0	0	108.5	I179 V181 F249 F334 T338 R340 F342	I179-I251 HydrophobicContact CB-CD1 3.86Å; I179-I251 HydrophobicContact CD1-CD1 3.69Å; I179-I251 HydrophobicContact CG1-CD1 4.19Å; I179-I251 CarbonylContact O-C 3.19Å; I179-I251 VanDerWaalsContact O-CA 3.27Å; I179-I251 WeakPolarHBondContact O-CA 3.31Å; V181-I251 HydrophobicContact CG1-CG2 4.42Å; V181-I251 HydrophobicContact CG2-CG2 3.63Å; F249-I251 HydrophobicContact CB-CD1 4.3Å; I251-F334 HydrophobicContact CD1-CZ 4.38Å; I251-F334 HydrophobicContact CG1-CZ 4.42Å; I251-F334 HydrophobicContact CG2-CE1 3.97Å; I251-F334 HydrophobicContact CG2-CZ 3.74Å; I251-T338 HydrophobicContact CD1-CG2 4.11Å; I251-T338 HydrophobicContact CG1-CG2 3.64Å; I251-R340 PolarHBondContact O-NH1 2.84Å; I251-F342 HydrophobicContact CB-CZ 4.08Å; I251-F342 HydrophobicContact CG2-CE1 4.19Å; I251-F342 HydrophobicContact CG2-CE2 4.23Å; I251-F342 HydrophobicContact CG2-CZ 3.43Å; I251-F342 VanDerWaalsContact CG2-CZ 3.43Å
252	V	98.9	Very high	98.3	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	131.2	175.9	-178.1	0	0	0	0	109.2	L105 L178 I179 I180 V181 G254 E264 V268	L105-V252 HydrophobicContact CD1-CG1 4.38Å; L105-V252 HydrophobicContact CD1-CG2 4.32Å; L105-V252 HydrophobicContact CD2-CB 4.42Å; L105-V252 HydrophobicContact CD2-CG2 3.91Å; L178-V252 HydrophobicContact CD2-CG2 4.36Å; I179-V252 PolarHBondContact O-N 2.92Å; I180-V252 WeakPolarHBondContact CA-O 3.4Å; I180-V252 HydrophobicContact CB-CB 3.95Å; I180-V252 HydrophobicContact CB-CG1 4.39Å; I180-V252 HydrophobicContact CD1-CG1 4.02Å; I180-V252 HydrophobicContact CG1-CB 3.98Å; I180-V252 HydrophobicContact CG1-CG1 3.96Å; V181-V252 PolarHBondContact N-O 3.34Å; V181-V252 VanDerWaalsContact N-O 3.1Å; V252-G254 PolarHBondContact O-N 3.37Å; V252-E264 HydrophobicContact CG1-CB 4.37Å; V252-V268 HydrophobicContact CG2-CG2 3.57Å
253	D	98.8	Very high	98.3	Very high	13 Å²	13	43 Å²	43	7%	0.07	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	104.2	171.7	-176.8	-19.2	0	0	0	109.1	D255 R256 L257 E264 F342	D253-D255 VanDerWaalsContact C-N 3.3Å; D253-D255 PolarHBondContact O-N 2.81Å; D253-D255 WeakPolarHBondContact OD1-CA 3.45Å; D253-D255 PolarHBondContact OD1-N 3.02Å; D253-R256 HydrophobicContact CB-CB 3.88Å; D253-R256 HydrophobicContact CB-CG 4.14Å; D253-R256 PolarHBondContact O-N 2.85Å; D253-R256 PolarHBondContact OD1-N 2.83Å; D253-R256 WeakPolarHBondContact OD2-CG 3.25Å; D253-L257 WeakPolarHBondContact O-CB 3.37Å; D253-L257 PolarHBondContact O-N 2.92Å; D253-E264 PolarHBondContact N-OE2 2.96Å; D253-F342 HydrophobicContact CB-CD1 3.74Å; D253-F342 HydrophobicContact CB-CE1 3.65Å
254	G	98.6	Very high	98.3	Very high	2 Å²	2	39.5 Å²	39.5	2%	0.021	20%	0.204	C	C	.	.	H	α-helix	trans	-73.2	-20.1	-179.5	0	0	0	0	0	113.8	V181 V252 I258	V181-G254 WeakPolarHBondContact O-CA 3.27Å; V181-G254 PolarHBondContact O-N 3.1Å; V252-G254 PolarHBondContact O-N 3.37Å; G254-I258 WeakPolarHBondContact O-CD1 3.46Å; G254-I258 VanDerWaalsContact O-CG1 3.29Å; G254-I258 WeakPolarHBondContact O-CG1 3.46Å; G254-I258 PolarHBondContact O-N 3.29Å
255	D	98.3	Very high	98.3	Very high	40 Å²	40	39.4 Å²	39.4	21%	0.214	20%	0.204	C	C	.	.	H	α-helix	trans	-77.2	-43.3	173.8	-61.4	-43.9	0	0	0	109.4	R182 E183 D253 L257 I258 T259 W344	R182-D255 WeakPolarHBondContact CA-OD2 3.4Å; R182-D255 WeakPolarHBondContact CB-OD1 3.45Å; R182-D255 IonicContact CZ-OD1 3.85Å; R182-D255 IonicContact NE-OD1 3.12Å; R182-D255 PolarHBondContact NE-OD1 3.34Å; R182-D255 IonicContact NH2-OD1 3.3Å; R182-D255 PolarHBondContact NH2-OD1 2.75Å; E183-D255 PolarHBondContact N-OD2 3.21Å; D253-D255 VanDerWaalsContact C-N 3.3Å; D253-D255 PolarHBondContact O-N 2.81Å; D253-D255 WeakPolarHBondContact OD1-CA 3.45Å; D253-D255 PolarHBondContact OD1-N 3.02Å; D255-L257 PolarHBondContact O-N 3.14Å; D255-I258 WeakPolarHBondContact O-CB 3.28Å; D255-I258 PolarHBondContact O-N 3.43Å; D255-T259 PolarHBondContact O-N 3.12Å; D255-T259 PolarHBondContact O-OG1 2.93Å; D255-W344 PolarHBondContact OD2-NE1 3.1Å; D255-W344 VanDerWaalsContact OD2-NE1 3.16Å
256	R	98.1	Very high	98.3	Very high	139 Å²	139	39.9 Å²	39.9	53%	0.525	20%	0.201	S	C	.	.	H	α-helix	trans	-61	-40.9	168	-76.9	-76.8	-175.2	167.1	-0.9	112.6	D253 I258 T259 D260 E264	D253-R256 HydrophobicContact CB-CB 3.88Å; D253-R256 HydrophobicContact CB-CG 4.14Å; D253-R256 PolarHBondContact O-N 2.85Å; D253-R256 PolarHBondContact OD1-N 2.83Å; D253-R256 WeakPolarHBondContact OD2-CG 3.25Å; R256-I258 PolarHBondContact O-N 2.74Å; R256-I258 VanDerWaalsContact O-N 3.13Å; R256-T259 PolarHBondContact O-N 2.7Å; R256-T259 VanDerWaalsContact O-N 3.1Å; R256-T259 PolarHBondContact O-OG1 3.09Å; R256-D260 CarbonylContact O-C 3.58Å; R256-D260 WeakPolarHBondContact O-CA 3.26Å; R256-D260 PolarHBondContact O-N 2.04Å; R256-D260 VanDerWaalsContact O-O 3.12Å; R256-E264 HydrophobicContact CB-CG 3.75Å
257	L	98	Very high	98.3	Very high	7 Å²	7	39.9 Å²	39.9	4%	0.037	20%	0.199	C	C	.	.	H	α-helix	trans	-60.9	-25.9	178.3	-165.3	74.1	0	0	0	112.6	A104 L105 M108 I180 D253 D255 P261 E264 L265	A104-L257 HydrophobicContact CB-CD2 4.36Å; L105-L257 HydrophobicContact CB-CD2 4.12Å; M108-L257 HydrophobicContact SD-CD1 3.85Å; M108-L257 HydrophobicContact SD-CD2 4.21Å; M108-L257 HydrophobicContact SD-CG 4.01Å; I180-L257 HydrophobicContact CD1-CB 4.5Å; I180-L257 HydrophobicContact CD1-CD2 3.41Å; I180-L257 VanDerWaalsContact CD1-CD2 3.41Å; D253-L257 WeakPolarHBondContact O-CB 3.37Å; D253-L257 PolarHBondContact O-N 2.92Å; D255-L257 PolarHBondContact O-N 3.14Å; L257-P261 HydrophobicContact CD1-CB 4.05Å; L257-P261 WeakPolarHBondContact O-CB 3.37Å; L257-E264 HydrophobicContact CD1-CB 3.94Å; L257-L265 HydrophobicContact CD1-CD2 4.16Å; L257-L265 HydrophobicContact CD1-CG 4.16Å
258	I	96.8	Very high	98.3	Very high	48 Å²	48	33.3 Å²	33.3	25%	0.246	17%	0.168	C	C	.	.	H	α-helix	trans	-77.1	-43.1	175.5	-71.4	163.7	0	0	0	111.1	G254 D255 R256 F291 Y292	G254-I258 WeakPolarHBondContact O-CD1 3.46Å; G254-I258 VanDerWaalsContact O-CG1 3.29Å; G254-I258 WeakPolarHBondContact O-CG1 3.46Å; G254-I258 PolarHBondContact O-N 3.29Å; D255-I258 WeakPolarHBondContact O-CB 3.28Å; D255-I258 PolarHBondContact O-N 3.43Å; R256-I258 PolarHBondContact O-N 2.74Å; R256-I258 VanDerWaalsContact O-N 3.13Å; I258-F291 HydrophobicContact CG1-CE1 4.44Å; I258-F291 HydrophobicContact CG2-CD1 4.01Å; I258-F291 HydrophobicContact CG2-CE1 3.9Å; I258-Y292 WeakPolarHBondContact O-CD2 3.47Å
259	T	96.6	Very high	98.3	Very high	90 Å²	90	31.7 Å²	31.7	55%	0.552	16%	0.16	S	C	*	.	H	α-helix	trans	-90.7	-36.2	-171.4	58.5	0	0	0	0	114	D255 R256 Y292	D255-T259 PolarHBondContact O-N 3.12Å; D255-T259 PolarHBondContact O-OG1 2.93Å; R256-T259 PolarHBondContact O-N 2.7Å; R256-T259 VanDerWaalsContact O-N 3.1Å; R256-T259 PolarHBondContact O-OG1 3.09Å; T259-Y292 WeakPolarHBondContact O-CE2 3.44Å
260	D	97	Very high	98.3	Very high	57 Å²	57	38.7 Å²	38.7	31%	0.305	19%	0.186	S	C	.	.			trans	-150.7	80.9	-176.6	-174.5	15	0	0	0	110.2	R256 P263	R256-D260 CarbonylContact O-C 3.58Å; R256-D260 WeakPolarHBondContact O-CA 3.26Å; R256-D260 PolarHBondContact O-N 2.04Å; R256-D260 VanDerWaalsContact O-O 3.12Å; D260-P263 WeakPolarHBondContact O-CD 3.24Å; D260-P263 VanDerWaalsContact OD1-CD 3.32Å; D260-P263 WeakPolarHBondContact OD1-CD 3.27Å; D260-P263 WeakPolarHBondContact OD2-CG 3.19Å
261	P	98.3	Very high	98.3	Very high	2 Å²	2	39 Å²	39	1%	0.013	19%	0.188	C	C	.	.	H	α-helix	trans	-70.9	-29.6	-169.9	21.4	-31.5	0	0	0	115.5	M108 L257 E264 L265 L283 Y292	M108-P261 HydrophobicContact CE-CB 3.92Å; M108-P261 HydrophobicContact CE-CG 4.37Å; M108-P261 HydrophobicContact SD-CB 4.13Å; L257-P261 HydrophobicContact CD1-CB 4.05Å; L257-P261 WeakPolarHBondContact O-CB 3.37Å; P261-E264 PolarHBondContact O-N 3Å; P261-L265 HydrophobicContact CB-CD1 4.33Å; P261-L265 VanDerWaalsContact O-CG 3.25Å; P261-L265 WeakPolarHBondContact O-CG 3.28Å; P261-L265 PolarHBondContact O-N 3.48Å; P261-L283 HydrophobicContact CB-CD1 4.14Å; P261-L283 HydrophobicContact CG-CD1 3.9Å; P261-Y292 HydrophobicContact CG-CD1 3.87Å; P261-Y292 HydrophobicContact CG-CD2 3.86Å; P261-Y292 HydrophobicContact CG-CE1 4.18Å; P261-Y292 HydrophobicContact CG-CE2 4.19Å; P261-Y292 HydrophobicContact CG-CG 3.7Å
262	L	98.4	Very high	98.3	Very high	23 Å²	23	39 Å²	39	12%	0.12	19%	0.187	C	C	.	.	H	α-helix	trans	-63.7	-46.9	-169	-179.4	64.8	0	0	0	113	E264 L265 Q266 I278 Q280 L283	L262-E264 VanDerWaalsContact C-N 3.33Å; L262-E264 PolarHBondContact O-N 3.45Å; L262-L265 PolarHBondContact O-N 2.95Å; L262-L265 VanDerWaalsContact O-N 3.17Å; L262-Q266 HydrophobicContact CD1-CG 4.32Å; L262-Q266 WeakPolarHBondContact O-CG 3.42Å; L262-Q266 PolarHBondContact O-N 3.16Å; L262-I278 HydrophobicContact CD1-CG2 4.15Å; L262-Q280 HydrophobicContact CD2-CB 4.11Å; L262-L283 HydrophobicContact CB-CD1 4.04Å; L262-L283 HydrophobicContact CD1-CD1 4.33Å
263	P	98.5	Very high	98.3	Very high	53 Å²	53	45.4 Å²	45.4	34%	0.344	22%	0.222	S	C	.	.	H	α-helix	trans	-59.8	-39.7	177.8	-26.2	37	0	0	0	113.5	D260 Q266 L267	D260-P263 WeakPolarHBondContact O-CD 3.24Å; D260-P263 VanDerWaalsContact OD1-CD 3.32Å; D260-P263 WeakPolarHBondContact OD1-CD 3.27Å; D260-P263 WeakPolarHBondContact OD2-CG 3.19Å; P263-Q266 PolarHBondContact O-N 2.91Å; P263-L267 WeakPolarHBondContact O-CG 3.3Å; P263-L267 PolarHBondContact O-N 3.18Å; P263-L267 VanDerWaalsContact O-N 3.1Å
264	E	98.6	Very high	98.2	Very high	9 Å²	9	46 Å²	46	4%	0.042	23%	0.225	C	C	.	.	H	α-helix	trans	-64.1	-41.8	175.4	-73.5	-55	115.9	0	0	111.7	V252 D253 R256 L257 P261 L262 Q266 L267 V268 R340	V252-E264 HydrophobicContact CG1-CB 4.37Å; D253-E264 PolarHBondContact N-OE2 2.96Å; R256-E264 HydrophobicContact CB-CG 3.75Å; L257-E264 HydrophobicContact CD1-CB 3.94Å; P261-E264 PolarHBondContact O-N 3Å; L262-E264 VanDerWaalsContact C-N 3.33Å; L262-E264 PolarHBondContact O-N 3.45Å; E264-Q266 VanDerWaalsContact C-N 3.33Å; E264-Q266 PolarHBondContact O-N 3.1Å; E264-L267 WeakPolarHBondContact O-CB 3.26Å; E264-L267 PolarHBondContact O-N 3.1Å; E264-V268 WeakPolarHBondContact O-CG2 3.5Å; E264-V268 PolarHBondContact O-N 2.95Å; E264-V268 VanDerWaalsContact O-N 3.12Å; E264-R340 IonicContact OE1-CZ 3.4Å; E264-R340 IonicContact OE1-NH1 3.85Å; E264-R340 IonicContact OE1-NH2 3.69Å; E264-R340 PolarHBondContact OE1-NH2 2.94Å; E264-R340 IonicContact OE2-CZ 3.71Å; E264-R340 IonicContact OE2-NH1 3.31Å; E264-R340 PolarHBondContact OE2-NH1 2.79Å; E264-R340 IonicContact OE2-NH2 2.81Å; E264-R340 PolarHBondContact OE2-NH2 3.22Å; E264-R340 VanDerWaalsContact OE2-NH2 3.08Å
265	L	98.8	Very high	98.2	Very high	0 Å²	0	49 Å²	49	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-66	-36.4	178.4	-66	169.5	0	0	0	111.9	L105 M108 L109 L257 P261 L262 L267 V268 E269 I278 L283	L105-L265 HydrophobicContact CD1-CD2 4.13Å; M108-L265 HydrophobicContact CB-CD1 3.8Å; M108-L265 HydrophobicContact CB-CD2 3.63Å; M108-L265 HydrophobicContact CB-CG 4.37Å; M108-L265 HydrophobicContact CG-CD1 4.2Å; M108-L265 HydrophobicContact SD-CD1 4.1Å; M108-L265 HydrophobicContact SD-CD2 4.39Å; L109-L265 HydrophobicContact CD2-CD2 4.09Å; L109-L265 HydrophobicContact CG-CD2 4.44Å; L257-L265 HydrophobicContact CD1-CD2 4.16Å; L257-L265 HydrophobicContact CD1-CG 4.16Å; P261-L265 HydrophobicContact CB-CD1 4.33Å; P261-L265 VanDerWaalsContact O-CG 3.25Å; P261-L265 WeakPolarHBondContact O-CG 3.28Å; P261-L265 PolarHBondContact O-N 3.48Å; L262-L265 PolarHBondContact O-N 2.95Å; L262-L265 VanDerWaalsContact O-N 3.17Å; L265-L267 VanDerWaalsContact C-N 3.34Å; L265-V268 PolarHBondContact O-N 3.4Å; L265-E269 WeakPolarHBondContact O-CG 3.41Å; L265-E269 PolarHBondContact O-N 2.86Å; L265-I278 HydrophobicContact CB-CD1 4.37Å; L265-I278 HydrophobicContact CD1-CG2 4.02Å; L265-L283 HydrophobicContact CD1-CD1 3.88Å; L265-L283 HydrophobicContact CD1-CD2 4.39Å
266	Q	98.6	Very high	98.1	Very high	71 Å²	71	50.6 Å²	50.6	33%	0.332	26%	0.258	S	S	.	.	H	α-helix	trans	-67.7	-32.7	175.4	-71.8	175.9	-25.1	0	0	112.8	L262 P263 E264 V268 R270	L262-Q266 HydrophobicContact CD1-CG 4.32Å; L262-Q266 WeakPolarHBondContact O-CG 3.42Å; L262-Q266 PolarHBondContact O-N 3.16Å; P263-Q266 PolarHBondContact O-N 2.91Å; E264-Q266 VanDerWaalsContact C-N 3.33Å; E264-Q266 PolarHBondContact O-N 3.1Å; Q266-V268 VanDerWaalsContact C-N 3.34Å; Q266-R270 WeakPolarHBondContact O-CG 3.45Å; Q266-R270 PolarHBondContact O-N 3.2Å; Q266-R270 VanDerWaalsContact O-N 3.13Å; Q266-R270 PolarHBondContact O-NE 3.38Å
267	L	98.7	Very high	98	Very high	53 Å²	53	50 Å²	50	28%	0.277	26%	0.256	S	S	.	.	H	α-helix	trans	-63.6	-42.3	170.1	-73.9	166.4	0	0	0	111	P263 E264 L265 R270 F271	P263-L267 WeakPolarHBondContact O-CG 3.3Å; P263-L267 PolarHBondContact O-N 3.18Å; P263-L267 VanDerWaalsContact O-N 3.1Å; E264-L267 WeakPolarHBondContact O-CB 3.26Å; E264-L267 PolarHBondContact O-N 3.1Å; L265-L267 VanDerWaalsContact C-N 3.34Å; L267-R270 PolarHBondContact O-N 2.79Å; L267-F271 WeakPolarHBondContact O-CB 3.28Å; L267-F271 PolarHBondContact O-N 3.02Å
268	V	98.8	Very high	97.9	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-68	-41	176.9	-177.7	0	0	0	0	111.9	L105 L109 L178 V252 E264 L265 Q266 R270 F271 L272	L105-V268 HydrophobicContact CD1-CG2 4.26Å; L109-V268 HydrophobicContact CD1-CG1 3.93Å; L109-V268 HydrophobicContact CD2-CB 3.96Å; L109-V268 HydrophobicContact CD2-CG1 3.48Å; L109-V268 VanDerWaalsContact CD2-CG1 3.48Å; L109-V268 HydrophobicContact CG-CG1 4.33Å; L178-V268 HydrophobicContact CD1-CG1 3.99Å; L178-V268 HydrophobicContact CD2-CG1 3.79Å; L178-V268 HydrophobicContact CD2-CG2 4.28Å; V252-V268 HydrophobicContact CG2-CG2 3.57Å; E264-V268 WeakPolarHBondContact O-CG2 3.5Å; E264-V268 PolarHBondContact O-N 2.95Å; E264-V268 VanDerWaalsContact O-N 3.12Å; L265-V268 PolarHBondContact O-N 3.4Å; Q266-V268 VanDerWaalsContact C-N 3.34Å; V268-R270 VanDerWaalsContact C-N 3.34Å; V268-R270 PolarHBondContact O-N 3.06Å; V268-F271 PolarHBondContact O-N 3.16Å; V268-L272 HydrophobicContact CG1-CD1 3.82Å; V268-L272 HydrophobicContact CG1-CG 4.12Å; V268-L272 WeakPolarHBondContact O-CB 3.43Å; V268-L272 VanDerWaalsContact O-CG 3.31Å; V268-L272 WeakPolarHBondContact O-CG 3.39Å; V268-L272 PolarHBondContact O-N 2.81Å
269	E	98.8	Very high	97.9	Very high	3 Å²	3	49.9 Å²	49.9	1%	0.014	26%	0.26	C	S	.	.	H	α-helix	trans	-55.4	-50	174.3	-75.2	179.2	141.4	0	0	110.6	H112 L265 L272 N273 L274 S276 R277 I278	H112-E269 IonicContact CD2-OE1 3.85Å; H112-E269 PolarHBondContact CD2-OE1 3.44Å; H112-E269 VanDerWaalsContact CD2-OE1 3.31Å; L265-E269 WeakPolarHBondContact O-CG 3.41Å; L265-E269 PolarHBondContact O-N 2.86Å; E269-L272 CarbonylContact O-C 3.5Å; E269-L272 PolarHBondContact O-N 2.82Å; E269-N273 PolarHBondContact O-N 3.11Å; E269-N273 VanDerWaalsContact O-N 3.17Å; E269-L274 HydrophobicContact CB-CB 4.37Å; E269-L274 PolarHBondContact O-N 3.11Å; E269-S276 VanDerWaalsContact OE2-CA 3.28Å; E269-S276 WeakPolarHBondContact OE2-CA 3.34Å; E269-S276 WeakPolarHBondContact OE2-CB 3.12Å; E269-S276 PolarHBondContact OE2-OG 3.4Å; E269-R277 PolarHBondContact OE1-N 3.15Å; E269-I278 HydrophobicContact CG-CD1 4.48Å; E269-I278 WeakPolarHBondContact OE1-CG1 3.36Å; E269-I278 PolarHBondContact OE1-N 2.96Å
270	R	98.8	Very high	97.9	Very high	164 Å²	164	50.5 Å²	50.5	62%	0.619	26%	0.256	S	S	*	.	H	α-helix	trans	-59.8	-48.9	176.2	-75.4	-175.5	-74	171.9	-10.3	112.2	Q266 L267 V268 L272 N273	Q266-R270 WeakPolarHBondContact O-CG 3.45Å; Q266-R270 PolarHBondContact O-N 3.2Å; Q266-R270 VanDerWaalsContact O-N 3.13Å; Q266-R270 PolarHBondContact O-NE 3.38Å; L267-R270 PolarHBondContact O-N 2.79Å; V268-R270 VanDerWaalsContact C-N 3.34Å; V268-R270 PolarHBondContact O-N 3.06Å; R270-L272 PolarHBondContact O-N 3.47Å; R270-N273 PolarHBondContact O-N 3.31Å; R270-N273 PolarHBondContact O-OD1 3.24Å
271	F	98.8	Very high	97.8	Very high	35 Å²	35	52.7 Å²	52.7	15%	0.154	26%	0.261	C	S	.	.	H	α-helix	trans	-58.5	-37.3	178.1	171.5	-108.1	0	0	0	112.2	K176 L178 E247 Q248 H250 L267 V268 N273	K176-F271 HydrophobicContact CB-CE1 3.7Å; K176-F271 HydrophobicContact CB-CZ 3.79Å; K176-F271 HydrophobicContact CD-CD1 4.45Å; K176-F271 HydrophobicContact CD-CE1 4.11Å; K176-F271 HydrophobicContact CD-CZ 4.16Å; K176-F271 WeakPolarHBondContact CD-O 3.41Å; K176-F271 VanDerWaalsContact CE-O 3.32Å; K176-F271 WeakPolarHBondContact CE-O 3.49Å; K176-F271 HydrophobicContact CG-CE1 4.17Å; K176-F271 HydrophobicContact CG-CZ 3.96Å; K176-F271 PolarHBondContact NZ-O 2.88Å; L178-F271 HydrophobicContact CD2-CD1 3.92Å; L178-F271 HydrophobicContact CD2-CE1 4.04Å; L178-F271 HydrophobicContact CG-CE1 4.4Å; E247-F271 WeakPolarHBondContact O-CE2 3.49Å; Q248-F271 WeakPolarHBondContact O-CZ 3.48Å; H250-F271 HydrophobicContact CB-CB 4.02Å; H250-F271 HydrophobicContact CB-CD1 3.33Å; H250-F271 HydrophobicContact CB-CD2 3.6Å; H250-F271 HydrophobicContact CB-CE1 3.51Å; H250-F271 HydrophobicContact CB-CE2 3.78Å; H250-F271 HydrophobicContact CB-CG 3.35Å; H250-F271 HydrophobicContact CB-CZ 3.73Å; H250-F271 AromaticContact CG-CG 3.82Å; L267-F271 WeakPolarHBondContact O-CB 3.28Å; L267-F271 PolarHBondContact O-N 3.02Å; V268-F271 PolarHBondContact O-N 3.16Å; F271-N273 VanDerWaalsContact C-N 3.26Å; F271-N273 PolarHBondContact O-N 2.99Å
272	L	98.6	Very high	97.8	Very high	10 Å²	10	53.7 Å²	53.7	5%	0.052	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.3	0.5	177.9	-65.6	-179.3	0	0	0	113.8	A92 I150 I152 K176 L178 V268 E269 R270 L274	A92-L272 HydrophobicContact CB-CD2 3.58Å; I150-L272 HydrophobicContact CD1-CD2 4.34Å; I152-L272 HydrophobicContact CD1-CD1 3.82Å; K176-L272 HydrophobicContact CB-CD2 4.2Å; K176-L272 HydrophobicContact CD-CD2 4.04Å; L178-L272 HydrophobicContact CD1-CD1 4.44Å; V268-L272 HydrophobicContact CG1-CD1 3.82Å; V268-L272 HydrophobicContact CG1-CG 4.12Å; V268-L272 WeakPolarHBondContact O-CB 3.43Å; V268-L272 VanDerWaalsContact O-CG 3.31Å; V268-L272 WeakPolarHBondContact O-CG 3.39Å; V268-L272 PolarHBondContact O-N 2.81Å; E269-L272 CarbonylContact O-C 3.5Å; E269-L272 PolarHBondContact O-N 2.82Å; R270-L272 PolarHBondContact O-N 3.47Å; L272-L274 VanDerWaalsContact C-N 3.28Å; L272-L274 HydrophobicContact CB-CD1 3.96Å; L272-L274 HydrophobicContact CB-CG 3.9Å; L272-L274 HydrophobicContact CD1-CD1 4.13Å
273	N	98.3	Very high	97.7	Very high	134 Å²	134	52.9 Å²	52.9	72%	0.717	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.7	39.2	-172.3	-55.9	-25.8	0	0	0	112.6	K176 E269 R270 F271	K176-N273 PolarHBondContact NZ-ND2 2.82Å; K176-N273 PolarHBondContact NZ-OD1 2.74Å; E269-N273 PolarHBondContact O-N 3.11Å; E269-N273 VanDerWaalsContact O-N 3.17Å; R270-N273 PolarHBondContact O-N 3.31Å; R270-N273 PolarHBondContact O-OD1 3.24Å; F271-N273 VanDerWaalsContact C-N 3.26Å; F271-N273 PolarHBondContact O-N 2.99Å
274	L	97.6	Very high	97.6	Very high	27 Å²	27	52.9 Å²	52.9	14%	0.141	26%	0.255	C	S	.	.			trans	-99.7	143.2	175.8	-64	177.1	0	0	0	110.3	A114 V115 I150 E269 L272	A114-L274 HydrophobicContact CB-CD2 4.03Å; V115-L274 HydrophobicContact CG2-CD1 3.59Å; I150-L274 HydrophobicContact CG2-CD1 4.22Å; I150-L274 HydrophobicContact CG2-CD2 4.12Å; E269-L274 HydrophobicContact CB-CB 4.37Å; E269-L274 PolarHBondContact O-N 3.11Å; L272-L274 VanDerWaalsContact C-N 3.28Å; L272-L274 HydrophobicContact CB-CD1 3.96Å; L272-L274 HydrophobicContact CB-CG 3.9Å; L272-L274 HydrophobicContact CD1-CD1 4.13Å
275	P	97.1	Very high	97.5	Very high	63 Å²	63	57.8 Å²	57.8	41%	0.409	28%	0.277	S	S	.	.			trans	-63.2	147.9	170.4	28.5	-34.2	0	0	0	109.7	H112 R277	H112-P275 PolarHBondContact NE2-O 3.28Å; P275-R277 HydrophobicContact CB-CG 4.46Å; P275-R277 HydrophobicContact CG-CG 4.16Å; P275-R277 PolarHBondContact O-N 3.4Å; P275-R277 VanDerWaalsContact O-N 3.09Å
276	S	96.4	Very high	97.4	Very high	74 Å²	74	59.7 Å²	59.7	52%	0.517	29%	0.287	S	S	.	.	S	Bend	trans	-71.1	112.7	178.4	-164.9	0	0	0	0	110.7	E269	E269-S276 VanDerWaalsContact OE2-CA 3.28Å; E269-S276 WeakPolarHBondContact OE2-CA 3.34Å; E269-S276 WeakPolarHBondContact OE2-CB 3.12Å; E269-S276 PolarHBondContact OE2-OG 3.4Å
277	R	96.7	Very high	97.2	Very high	127 Å²	127	60.4 Å²	60.4	48%	0.479	31%	0.305	S	S	.	.			trans	-130.9	-20.5	-177.6	-61.6	-65.6	-171.5	170.6	0.3	112.8	H112 P113 E269 P275	H112-R277 WeakPolarHBondContact NE2-CG 3.23Å; P113-R277 HydrophobicContact CG-CB 4.27Å; P113-R277 HydrophobicContact CG-CG 4.14Å; E269-R277 PolarHBondContact OE1-N 3.15Å; P275-R277 HydrophobicContact CB-CG 4.46Å; P275-R277 HydrophobicContact CG-CG 4.16Å; P275-R277 PolarHBondContact O-N 3.4Å; P275-R277 VanDerWaalsContact O-N 3.09Å
278	I	96.9	Very high	96.8	Very high	4 Å²	4	64.4 Å²	64.4	2%	0.021	33%	0.332	C	S	.	.			trans	-73.6	131.7	169.8	-59	173	0	0	0	108	L111 H112 L262 L265 E269	L111-I278 HydrophobicContact CB-CG1 4.18Å; L111-I278 HydrophobicContact CD1-CG2 4.39Å; H112-I278 HydrophobicContact CB-CD1 4.22Å; H112-I278 HydrophobicContact CB-CG1 4.14Å; L262-I278 HydrophobicContact CD1-CG2 4.15Å; L265-I278 HydrophobicContact CB-CD1 4.37Å; L265-I278 HydrophobicContact CD1-CG2 4.02Å; E269-I278 HydrophobicContact CG-CD1 4.48Å; E269-I278 WeakPolarHBondContact OE1-CG1 3.36Å; E269-I278 PolarHBondContact OE1-N 2.96Å
279	S	96.6	Very high	96.4	Very high	49 Å²	49	71.1 Å²	71.1	34%	0.343	36%	0.357	S	S	.	.			trans	-131.9	167.9	-175.3	67.8	0	0	0	0	111.7	Y281 N282	S279-Y281 PolarHBondContact O-N 3.47Å; S279-Y281 VanDerWaalsContact O-N 3.16Å; S279-Y281 PolarHBondContact OG-N 3.12Å; S279-N282 PolarHBondContact N-OD1 3.39Å; S279-N282 WeakPolarHBondContact O-CB 3.34Å; S279-N282 PolarHBondContact O-N 3.45Å; S279-N282 PolarHBondContact O-OD1 3.01Å; S279-N282 PolarHBondContact OG-OD1 3.35Å
280	Q	96	Very high	96.1	Very high	103 Å²	103	72.8 Å²	72.8	48%	0.481	38%	0.375	S	S	.	.	G	3₁₀ helix	trans	-55.1	-32.5	174.1	-167.3	68.5	5.1	0	0	112.1	L262 N282 L283	L262-Q280 HydrophobicContact CD2-CB 4.11Å; Q280-N282 PolarHBondContact O-N 3.5Å; Q280-L283 PolarHBondContact O-N 3.06Å; Q280-L283 VanDerWaalsContact O-N 3.1Å
281	Y	95.4	Very high	95.9	Very high	103 Å²	103	68.5 Å²	68.5	40%	0.404	36%	0.361	S	S	.	.	G	3₁₀ helix	trans	-58.2	-32.1	176.8	173.4	-98.2	0	0	0	112.7	S279 L283 R295 I298	S279-Y281 PolarHBondContact O-N 3.47Å; S279-Y281 VanDerWaalsContact O-N 3.16Å; S279-Y281 PolarHBondContact OG-N 3.12Å; Y281-L283 PolarHBondContact O-N 2.74Å; Y281-R295 HydrophobicContact CE1-CG 4Å; Y281-R295 WeakPolarHBondContact O-CB 3.42Å; Y281-R295 WeakPolarHBondContact O-CD 3.49Å; Y281-I298 PolarHBondContact OH-N 3.48Å
282	N	97	Very high	95.8	Very high	22 Å²	22	69 Å²	69	12%	0.118	36%	0.362	C	S	.	.	G	3₁₀ helix	trans	-76.9	-9.9	-177.6	-57.4	116.5	0	0	0	113.7	L111 S279 Q280 L294 R295	L111-N282 HydrophobicContact CD1-CB 3.68Å; L111-N282 HydrophobicContact CD2-CB 4.2Å; L111-N282 HydrophobicContact CG-CB 4.41Å; S279-N282 PolarHBondContact N-OD1 3.39Å; S279-N282 WeakPolarHBondContact O-CB 3.34Å; S279-N282 PolarHBondContact O-N 3.45Å; S279-N282 PolarHBondContact O-OD1 3.01Å; S279-N282 PolarHBondContact OG-OD1 3.35Å; Q280-N282 PolarHBondContact O-N 3.5Å; N282-L294 CarbonylContact O-C 3.58Å; N282-L294 WeakPolarHBondContact O-CA 3.42Å; N282-R295 WeakPolarHBondContact CA-O 3.45Å; N282-R295 PolarHBondContact ND2-O 3.42Å; N282-R295 PolarHBondContact O-N 3.33Å
283	L	97.3	Very high	95.7	Very high	6 Å²	6	68.7 Å²	68.7	3%	0.031	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	120.1	-169.5	-55.8	170.4	0	0	0	108.5	M108 L111 P261 L262 L265 Q280 Y281 Y292 L294	M108-L283 HydrophobicContact CE-CD2 4.5Å; M108-L283 HydrophobicContact CG-CD2 4.35Å; L111-L283 HydrophobicContact CD1-CD2 3.96Å; P261-L283 HydrophobicContact CB-CD1 4.14Å; P261-L283 HydrophobicContact CG-CD1 3.9Å; L262-L283 HydrophobicContact CB-CD1 4.04Å; L262-L283 HydrophobicContact CD1-CD1 4.33Å; L265-L283 HydrophobicContact CD1-CD1 3.88Å; L265-L283 HydrophobicContact CD1-CD2 4.39Å; Q280-L283 PolarHBondContact O-N 3.06Å; Q280-L283 VanDerWaalsContact O-N 3.1Å; Y281-L283 PolarHBondContact O-N 2.74Å; L283-Y292 HydrophobicContact CB-CD1 4.06Å; L283-L294 HydrophobicContact CD2-CD2 3.8Å
284	Y	96.2	Very high	95.6	Very high	54 Å²	54	62.5 Å²	62.5	21%	0.212	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	135.7	176.1	71.9	-83.5	0	0	0	110	N286 Y292 C293 R295 N301	Y284-N286 HydrophobicContact CE2-CB 4.34Å; Y284-Y292 WeakPolarHBondContact O-CA 3.41Å; Y284-C293 HydrophobicContact CD1-CB 4.23Å; Y284-C293 WeakPolarHBondContact CD1-O 3.37Å; Y284-C293 HydrophobicContact CD2-CB 4.44Å; Y284-C293 HydrophobicContact CE1-CB 3.58Å; Y284-C293 HydrophobicContact CE2-CB 3.83Å; Y284-C293 PolarHBondContact N-O 3.5Å; Y284-C293 PolarHBondContact O-N 3.14Å; Y284-C293 WeakPolarHBondContact OH-CB 3.31Å; Y284-R295 HydrophobicContact CD1-CB 4.14Å; Y284-R295 HydrophobicContact CE1-CB 4.44Å; Y284-N301 HydrophobicContact CE1-CB 4.07Å
285	F	96.8	Very high	95.5	Very high	112 Å²	112	64.8 Å²	64.8	49%	0.491	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	130.2	177	-171.2	-102.9	0	0	0	110	A287 Y292	F285-A287 HydrophobicContact CE1-CB 4.48Å; F285-Y292 HydrophobicContact CB-CD1 4.41Å; F285-Y292 HydrophobicContact CB-CE1 4.2Å; F285-Y292 AromaticContact CD2-CD2 3.89Å; F285-Y292 HydrophobicContact CD2-CD2 3.89Å; F285-Y292 AromaticContact CD2-CE2 3.87Å; F285-Y292 HydrophobicContact CD2-CE2 3.87Å; F285-Y292 HydrophobicContact CD2-CG 4.4Å
286	N	95.8	Very high	95	Very high	40 Å²	40	63.9 Å²	63.9	21%	0.214	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	107	174.8	-177.5	-54.3	0	0	0	109	Y284 T288 R289 G290 F291 C293	Y284-N286 HydrophobicContact CE2-CB 4.34Å; N286-T288 VanDerWaalsContact C-N 3.31Å; N286-T288 PolarHBondContact O-N 3.06Å; N286-T288 WeakPolarHBondContact OD1-CB 3.21Å; N286-T288 PolarHBondContact OD1-N 3.18Å; N286-T288 VanDerWaalsContact OD1-N 3.14Å; N286-R289 HydrophobicContact CB-CB 4.08Å; N286-R289 HydrophobicContact CB-CG 4.26Å; N286-R289 PolarHBondContact O-N 3.29Å; N286-R289 VanDerWaalsContact O-N 3.12Å; N286-R289 WeakPolarHBondContact OD1-CG 3.29Å; N286-R289 PolarHBondContact OD1-N 3.45Å; N286-G290 PolarHBondContact O-N 3.48Å; N286-F291 PolarHBondContact N-O 2.95Å; N286-C293 VanDerWaalsContact CB-SG 3.6Å
287	A	93.8	Very high	94.3	Very high	85 Å²	85	62.1 Å²	62.1	70%	0.702	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-38.1	-176.4	0	0	0	0	0	113.1	F285 R289 G290	F285-A287 HydrophobicContact CE1-CB 4.48Å; A287-R289 VanDerWaalsContact C-N 3.31Å; A287-R289 PolarHBondContact O-N 3.34Å; A287-G290 PolarHBondContact O-N 3.36Å
288	T	91.2	Very high	93.5	Very high	138 Å²	138	62.8 Å²	62.8	85%	0.847	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-36.6	177.1	-45.2	0	0	0	0	112.1	N286	N286-T288 VanDerWaalsContact C-N 3.31Å; N286-T288 PolarHBondContact O-N 3.06Å; N286-T288 WeakPolarHBondContact OD1-CB 3.21Å; N286-T288 PolarHBondContact OD1-N 3.18Å; N286-T288 VanDerWaalsContact OD1-N 3.14Å
289	R	89.8	Confident	92.7	Very high	141 Å²	141	69 Å²	69	53%	0.532	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82	-26.5	177.1	-67.2	-68	-173.3	179.3	-3.5	112.4	N286 A287 F291	N286-R289 HydrophobicContact CB-CB 4.08Å; N286-R289 HydrophobicContact CB-CG 4.26Å; N286-R289 PolarHBondContact O-N 3.29Å; N286-R289 VanDerWaalsContact O-N 3.12Å; N286-R289 WeakPolarHBondContact OD1-CG 3.29Å; N286-R289 PolarHBondContact OD1-N 3.45Å; A287-R289 VanDerWaalsContact C-N 3.31Å; A287-R289 PolarHBondContact O-N 3.34Å; R289-F291 VanDerWaalsContact C-N 3.26Å; R289-F291 WeakPolarHBondContact O-CD2 3.15Å; R289-F291 PolarHBondContact O-N 3.02Å
290	G	92.8	Very high	92.3	Very high	37 Å²	37	71 Å²	71	38%	0.381	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.5	14.7	-171.4	0	0	0	0	0	114.1	N286 A287	N286-G290 PolarHBondContact O-N 3.48Å; A287-G290 PolarHBondContact O-N 3.36Å
291	F	95.1	Very high	92.1	Very high	74 Å²	74	69.4 Å²	69.4	33%	0.325	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	159.9	-176.9	-64.8	-79.2	0	0	0	111.9	I258 N286 R289	I258-F291 HydrophobicContact CG1-CE1 4.44Å; I258-F291 HydrophobicContact CG2-CD1 4.01Å; I258-F291 HydrophobicContact CG2-CE1 3.9Å; N286-F291 PolarHBondContact N-O 2.95Å; R289-F291 VanDerWaalsContact C-N 3.26Å; R289-F291 WeakPolarHBondContact O-CD2 3.15Å; R289-F291 PolarHBondContact O-N 3.02Å
292	Y	96.9	Very high	92	Very high	46 Å²	46	67.7 Å²	67.7	18%	0.18	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	134.5	168.1	-78.5	-94.3	0	0	0	112	I258 T259 P261 L283 Y284 F285	I258-Y292 WeakPolarHBondContact O-CD2 3.47Å; T259-Y292 WeakPolarHBondContact O-CE2 3.44Å; P261-Y292 HydrophobicContact CG-CD1 3.87Å; P261-Y292 HydrophobicContact CG-CD2 3.86Å; P261-Y292 HydrophobicContact CG-CE1 4.18Å; P261-Y292 HydrophobicContact CG-CE2 4.19Å; P261-Y292 HydrophobicContact CG-CG 3.7Å; L283-Y292 HydrophobicContact CB-CD1 4.06Å; Y284-Y292 WeakPolarHBondContact O-CA 3.41Å; F285-Y292 HydrophobicContact CB-CD1 4.41Å; F285-Y292 HydrophobicContact CB-CE1 4.2Å; F285-Y292 AromaticContact CD2-CD2 3.89Å; F285-Y292 HydrophobicContact CD2-CD2 3.89Å; F285-Y292 AromaticContact CD2-CE2 3.87Å; F285-Y292 HydrophobicContact CD2-CE2 3.87Å; F285-Y292 HydrophobicContact CD2-CG 4.4Å
293	C	96.9	Very high	91.9	Very high	4 Å²	4	68.3 Å²	68.3	3%	0.027	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	165.2	170.4	-62.2	0	0	0	0	110.5	Y284 N286 C303	Y284-C293 HydrophobicContact CD1-CB 4.23Å; Y284-C293 WeakPolarHBondContact CD1-O 3.37Å; Y284-C293 HydrophobicContact CD2-CB 4.44Å; Y284-C293 HydrophobicContact CE1-CB 3.58Å; Y284-C293 HydrophobicContact CE2-CB 3.83Å; Y284-C293 PolarHBondContact N-O 3.5Å; Y284-C293 PolarHBondContact O-N 3.14Å; Y284-C293 WeakPolarHBondContact OH-CB 3.31Å; N286-C293 VanDerWaalsContact CB-SG 3.6Å; C293-C303 HydrophobicContact CB-CB 4.02Å; C293-C303 WeakPolarHBondContact CB-SG 3.38Å; C293-C303 VanDerWaalsContact SG-CA 3.55Å; C293-C303 WeakPolarHBondContact SG-CB 3.43Å; C293-C303 CovalentContact SG-SG 2.04Å; C293-C303 PolarHBondContact SG-SG 3.48Å
294	L	96.5	Very high	91.7	Very high	3 Å²	3	70 Å²	70	2%	0.016	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	130.4	-169.7	-48.8	-178.3	0	0	0	110.8	E107 M108 L111 N282 L283 F296 N301 K302	E107-L294 HydrophobicContact CB-CD1 3.71Å; M108-L294 HydrophobicContact CE-CD2 4.33Å; M108-L294 HydrophobicContact CG-CD2 3.54Å; L111-L294 HydrophobicContact CD1-CD2 4.1Å; L111-L294 HydrophobicContact CD2-CB 4.39Å; N282-L294 CarbonylContact O-C 3.58Å; N282-L294 WeakPolarHBondContact O-CA 3.42Å; L283-L294 HydrophobicContact CD2-CD2 3.8Å; L294-F296 HydrophobicContact CB-CE2 4.01Å; L294-F296 HydrophobicContact CD1-CZ 4.39Å; L294-N301 CarbonylContact O-C 3.48Å; L294-N301 WeakPolarHBondContact O-CA 3.41Å; L294-K302 PolarHBondContact N-O 3.11Å; L294-K302 PolarHBondContact O-N 3.44Å
295	R	93.9	Very high	91.5	Very high	75 Å²	75	70.5 Å²	70.5	28%	0.283	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	114.9	170.9	-179.2	177.8	-56.1	156.3	-2.9	109.4	Y281 N282 Y284 N297 N301	Y281-R295 HydrophobicContact CE1-CG 4Å; Y281-R295 WeakPolarHBondContact O-CB 3.42Å; Y281-R295 WeakPolarHBondContact O-CD 3.49Å; N282-R295 WeakPolarHBondContact CA-O 3.45Å; N282-R295 PolarHBondContact ND2-O 3.42Å; N282-R295 PolarHBondContact O-N 3.33Å; Y284-R295 HydrophobicContact CD1-CB 4.14Å; Y284-R295 HydrophobicContact CE1-CB 4.44Å; R295-N297 WeakPolarHBondContact CG-O 3.13Å; R295-N301 WeakPolarHBondContact CA-OD1 3.08Å; R295-N301 WeakPolarHBondContact CB-OD1 3.5Å; R295-N301 VanDerWaalsContact CG-OD1 3.26Å; R295-N301 WeakPolarHBondContact CG-OD1 3.4Å
296	F	87.3	Confident	91	Very high	44 Å²	44	68 Å²	68	19%	0.193	39%	0.385	C	S	.	.	S	Bend	trans	-90.9	-36.6	177.5	-70.1	-90.5	0	0	0	111.7	L111 L294 F300 K302	L111-F296 HydrophobicContact CD2-CD1 3.8Å; L111-F296 HydrophobicContact CD2-CE1 3.76Å; L111-F296 HydrophobicContact CD2-CG 4.22Å; L111-F296 HydrophobicContact CD2-CZ 4.13Å; L294-F296 HydrophobicContact CB-CE2 4.01Å; L294-F296 HydrophobicContact CD1-CZ 4.39Å; F296-F300 HydrophobicContact CB-CB 4.5Å; F296-F300 HydrophobicContact CB-CD1 3.72Å; F296-F300 AromaticContact CD2-CD1 3.44Å; F296-F300 HydrophobicContact CD2-CD1 3.44Å; F296-F300 VanDerWaalsContact CD2-CD1 3.44Å; F296-F300 AromaticContact CD2-CE1 3.49Å; F296-F300 HydrophobicContact CD2-CE1 3.49Å; F296-F300 VanDerWaalsContact CD2-CE1 3.49Å; F296-F300 HydrophobicContact CE2-CD1 4.27Å; F296-F300 AromaticContact CE2-CE1 3.85Å; F296-F300 HydrophobicContact CE2-CE1 3.85Å; F296-F300 AromaticContact CG-CD1 3.71Å; F296-F300 HydrophobicContact CG-CD1 3.71Å; F296-F300 HydrophobicContact CG-CE1 4.03Å; F296-F300 PolarHBondContact N-O 3.4Å; F296-K302 HydrophobicContact CD2-CB 4.44Å; F296-K302 HydrophobicContact CE2-CB 3.91Å; F296-K302 HydrophobicContact CE2-CD 4.16Å
297	N	82.6	Confident	90.6	Very high	37 Å²	37	68.5 Å²	68.5	20%	0.198	39%	0.392	C	S	.	.	S	Bend	trans	-158.4	-175.9	173.7	62.8	56.5	0	0	0	109.4	R295 V299 F300	R295-N297 WeakPolarHBondContact CG-O 3.13Å; N297-V299 PolarHBondContact O-N 3.34Å; N297-V299 WeakPolarHBondContact OD1-CA 3.04Å; N297-V299 PolarHBondContact OD1-N 3.19Å; N297-F300 PolarHBondContact N-O 3.24Å; N297-F300 PolarHBondContact O-N 3.31Å; N297-F300 PolarHBondContact OD1-N 3.18Å
298	I	78.3	Confident	90.5	Very high	142 Å²	142	68.6 Å²	68.6	73%	0.728	38%	0.377	S	S	*	.	S	Bend	trans	-56.6	-32.9	-178	-61.3	168	0	0	0	112.2	Y281	Y281-I298 PolarHBondContact OH-N 3.48Å
299	V	81.9	Confident	90.4	Very high	133 Å²	133	64.2 Å²	64.2	81%	0.806	36%	0.359	S	S	*	.	S	Bend	trans	-101.4	-29.8	-173	-172.7	0	0	0	0	112.3	N297	N297-V299 PolarHBondContact O-N 3.34Å; N297-V299 WeakPolarHBondContact OD1-CA 3.04Å; N297-V299 PolarHBondContact OD1-N 3.19Å
300	F	88.1	Confident	90.6	Very high	93 Å²	93	59.7 Å²	59.7	41%	0.408	34%	0.342	S	S	.	.			trans	-108.6	105.6	-172.4	-170.6	-116.1	0	0	0	112.6	F296 N297 K302	F296-F300 HydrophobicContact CB-CB 4.5Å; F296-F300 HydrophobicContact CB-CD1 3.72Å; F296-F300 AromaticContact CD2-CD1 3.44Å; F296-F300 HydrophobicContact CD2-CD1 3.44Å; F296-F300 VanDerWaalsContact CD2-CD1 3.44Å; F296-F300 AromaticContact CD2-CE1 3.49Å; F296-F300 HydrophobicContact CD2-CE1 3.49Å; F296-F300 VanDerWaalsContact CD2-CE1 3.49Å; F296-F300 HydrophobicContact CE2-CD1 4.27Å; F296-F300 AromaticContact CE2-CE1 3.85Å; F296-F300 HydrophobicContact CE2-CE1 3.85Å; F296-F300 AromaticContact CG-CD1 3.71Å; F296-F300 HydrophobicContact CG-CD1 3.71Å; F296-F300 HydrophobicContact CG-CE1 4.03Å; F296-F300 PolarHBondContact N-O 3.4Å; N297-F300 PolarHBondContact N-O 3.24Å; N297-F300 PolarHBondContact O-N 3.31Å; N297-F300 PolarHBondContact OD1-N 3.18Å; F300-K302 HydrophobicContact CZ-CB 4.49Å
301	N	91.1	Very high	90.6	Very high	69 Å²	69	65.4 Å²	65.4	37%	0.369	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	150.8	172	-64.9	-44.3	0	0	0	110.5	Y284 L294 R295	Y284-N301 HydrophobicContact CE1-CB 4.07Å; L294-N301 CarbonylContact O-C 3.48Å; L294-N301 WeakPolarHBondContact O-CA 3.41Å; R295-N301 WeakPolarHBondContact CA-OD1 3.08Å; R295-N301 WeakPolarHBondContact CB-OD1 3.5Å; R295-N301 VanDerWaalsContact CG-OD1 3.26Å; R295-N301 WeakPolarHBondContact CG-OD1 3.4Å
302	K	93.1	Very high	90.6	Very high	66 Å²	66	65 Å²	65	29%	0.287	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	123.7	-179.2	-178.3	-176.5	176.9	-173.7	0	110.9	E107 L294 F296 F300	E107-K302 IonicContact OE1-NZ 3.08Å; E107-K302 IonicContact OE2-NZ 2.67Å; E107-K302 PolarHBondContact OE2-NZ 3.36Å; L294-K302 PolarHBondContact N-O 3.11Å; L294-K302 PolarHBondContact O-N 3.44Å; F296-K302 HydrophobicContact CD2-CB 4.44Å; F296-K302 HydrophobicContact CE2-CB 3.91Å; F296-K302 HydrophobicContact CE2-CD 4.16Å; F300-K302 HydrophobicContact CZ-CB 4.49Å
303	C	95.1	Very high	90.6	Very high	35 Å²	35	65 Å²	65	24%	0.236	37%	0.366	C	S	.	.	P	Polyproline II helix	trans	-89.5	160.5	163	-63.2	0	0	0	0	110.7	C293	C293-C303 HydrophobicContact CB-CB 4.02Å; C293-C303 WeakPolarHBondContact CB-SG 3.38Å; C293-C303 VanDerWaalsContact SG-CA 3.55Å; C293-C303 WeakPolarHBondContact SG-CB 3.43Å; C293-C303 CovalentContact SG-SG 2.04Å; C293-C303 PolarHBondContact SG-SG 3.48Å
304	L	93.7	Very high	90.6	Very high	43 Å²	43	73.8 Å²	73.8	23%	0.225	41%	0.407	C	S	.	.	P	Polyproline II helix	trans	-65.1	158.5	170	-61	178	0	0	0	110.6	A104 E107 K308	A104-L304 HydrophobicContact CB-CD1 3.58Å; E107-L304 HydrophobicContact CB-CD2 4.01Å; E107-L304 HydrophobicContact CG-CD2 3.88Å; L304-K308 HydrophobicContact CB-CB 3.99Å; L304-K308 HydrophobicContact CB-CG 4.02Å; L304-K308 HydrophobicContact CD1-CB 4.44Å
305	A	91.3	Very high	90.6	Very high	63 Å²	63	74.7 Å²	74.7	52%	0.521	41%	0.413	S	S	.	.	P	Polyproline II helix	trans	-58.5	152	-179.9	0	0	0	0	0	111.6	S307 K308	A305-S307 PolarHBondContact O-N 2.99Å; A305-K308 WeakPolarHBondContact O-CB 3.5Å; A305-K308 WeakPolarHBondContact O-CG 3.4Å; A305-K308 PolarHBondContact O-N 3.18Å
306	G	86.1	Confident	90.8	Very high	59 Å²	59	75.2 Å²	75.2	61%	0.608	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-18.1	179.9	0	0	0	0	0	114.6	K308	G306-K308 PolarHBondContact O-N 3.49Å
307	S	86.9	Confident	91.3	Very high	52 Å²	52	76.6 Å²	76.6	36%	0.364	44%	0.441	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.2	6.3	169.4	64.9	0	0	0	0	114.3	A305 R310	A305-S307 PolarHBondContact O-N 2.99Å; S307-R310 VanDerWaalsContact O-CZ 3.24Å; S307-R310 PolarHBondContact O-NH1 3.19Å
308	K	92.7	Very high	92	Very high	87 Å²	87	78.3 Å²	78.3	38%	0.378	46%	0.456	S	S	.	.	S	Bend	trans	-117.9	131.8	176.4	-52.6	-58.5	171.9	-170.4	0	108	L304 A305 G306	L304-K308 HydrophobicContact CB-CB 3.99Å; L304-K308 HydrophobicContact CB-CG 4.02Å; L304-K308 HydrophobicContact CD1-CB 4.44Å; A305-K308 WeakPolarHBondContact O-CB 3.5Å; A305-K308 WeakPolarHBondContact O-CG 3.4Å; A305-K308 PolarHBondContact O-N 3.18Å; G306-K308 PolarHBondContact O-N 3.49Å
309	G	89.6	Confident	93	Very high	46 Å²	46	72.3 Å²	72.3	47%	0.474	43%	0.425	S	S	.	.	S	Bend	trans	80.1	43.5	-174.2	0	0	0	0	0	113.9
310	R	92.6	Very high	93.7	Very high	45 Å²	45	67.8 Å²	67.8	17%	0.17	40%	0.398	C	S	.	.	P	Polyproline II helix	trans	-66.1	148.1	176.9	-64.7	170	167.9	87.9	6.7	110.7	T193 E197 S307 H312	T193-R310 HydrophobicContact CG2-CB 3.99Å; E197-R310 VanDerWaalsContact CD-CD 3.46Å; E197-R310 WeakPolarHBondContact OE1-CD 3.43Å; E197-R310 WeakPolarHBondContact OE1-CG 3.4Å; E197-R310 IonicContact OE1-NE 2.69Å; E197-R310 PolarHBondContact OE1-NE 2.83Å; E197-R310 VanDerWaalsContact OE1-NE 3.12Å; E197-R310 WeakPolarHBondContact OE2-CD 3.48Å; E197-R310 IonicContact OE2-CZ 3.34Å; E197-R310 IonicContact OE2-NE 3.08Å; E197-R310 PolarHBondContact OE2-NE 3.25Å; E197-R310 IonicContact OE2-NH2 2.81Å; E197-R310 PolarHBondContact OE2-NH2 3.41Å; S307-R310 VanDerWaalsContact O-CZ 3.24Å; S307-R310 PolarHBondContact O-NH1 3.19Å; R310-H312 PolarHBondContact O-CD2 3.4Å; R310-H312 PolarHBondContact O-N 3.16Å
311	I	92.6	Very high	94.2	Very high	157 Å²	157	67.4 Å²	67.4	81%	0.805	40%	0.404	S	S	*	.	P	Polyproline II helix	trans	-64.2	125.1	167.5	-59.5	174.1	0	0	0	107.7	T193	T193-I311 WeakPolarHBondContact CG2-O 3.37Å
312	H	96.3	Very high	94.6	Very high	66 Å²	66	67.7 Å²	67.7	31%	0.306	40%	0.401	S	S	.	.	P	Polyproline II helix	trans	-81.4	144.2	175.5	-69.6	179.5	0	0	0	109.3	V189 S190 R310	V189-H312 HydrophobicContact CG1-CB 3.9Å; S190-H312 WeakPolarHBondContact CB-NE2 3.42Å; S190-H312 PolarHBondContact OG-NE2 3.01Å; R310-H312 PolarHBondContact O-CD2 3.4Å; R310-H312 PolarHBondContact O-N 3.16Å
313	P	95.6	Very high	94.9	Very high	45 Å²	45	64.5 Å²	64.5	29%	0.292	39%	0.388	S	S	.	.	P	Polyproline II helix	trans	-62.4	152.5	170	32.6	-38.7	0	0	0	109.7	V189 Y192 T193	V189-P313 HydrophobicContact CG1-CG 4.2Å; Y192-P313 HydrophobicContact CD1-CG 3.93Å; Y192-P313 HydrophobicContact CE1-CG 3.8Å; T193-P313 WeakPolarHBondContact OG1-CD 3.46Å
314	E	96.6	Very high	95	Very high	190 Å²	190	65 Å²	65	89%	0.888	39%	0.387	S	S	*	.	P	Polyproline II helix	trans	-65.3	134.9	164.6	-169.1	173.3	-173.7	0	0	109
315	V	97.3	Very high	95.3	Very high	21 Å²	21	71.2 Å²	71.2	13%	0.127	41%	0.412	C	S	.	.			trans	-122.1	137.7	178.2	177.8	0	0	0	0	107.4	V189 F209 E210 A317 V319 V320	V189-V315 HydrophobicContact CG1-CG2 4.29Å; V189-V315 HydrophobicContact CG2-CG2 3.96Å; F209-V315 HydrophobicContact CB-CG2 4.41Å; F209-V315 HydrophobicContact CD1-CB 4.43Å; F209-V315 HydrophobicContact CD1-CG1 3.64Å; F209-V315 HydrophobicContact CD1-CG2 3.83Å; F209-V315 HydrophobicContact CE1-CG1 4.05Å; F209-V315 HydrophobicContact CE1-CG2 4.47Å; F209-V315 HydrophobicContact CG-CG2 4.33Å; E210-V315 WeakPolarHBondContact OE1-CA 3.47Å; V315-A317 PolarHBondContact O-N 2.97Å; V315-V319 HydrophobicContact CG1-CB 4.24Å; V315-V319 HydrophobicContact CG1-CG1 4.11Å; V315-V320 HydrophobicContact CB-CG2 4.09Å; V315-V320 HydrophobicContact CG1-CG2 3.89Å
316	D	97.8	Very high	95.6	Very high	87 Å²	87	70.3 Å²	70.3	47%	0.465	40%	0.396	S	S	.	.			trans	-51	128.4	177.8	-170.4	-45.9	0	0	0	111.7	E210 S318 V319 V320	E210-D316 HydrophobicContact CG-CB 4.23Å; E210-D316 PolarHBondContact OE1-N 3.17Å; E210-D316 VanDerWaalsContact OE1-N 3.12Å; D316-S318 VanDerWaalsContact CG-OG 3.27Å; D316-S318 PolarHBondContact O-N 3.48Å; D316-S318 VanDerWaalsContact OD1-CB 3.31Å; D316-S318 WeakPolarHBondContact OD1-CB 3.39Å; D316-S318 PolarHBondContact OD1-N 2.99Å; D316-S318 PolarHBondContact OD1-OG 3.38Å; D316-V319 HydrophobicContact CB-CB 4.3Å; D316-V319 HydrophobicContact CB-CG2 4.05Å; D316-V319 WeakPolarHBondContact O-CA 3.16Å; D316-V319 WeakPolarHBondContact O-CB 3.45Å; D316-V319 PolarHBondContact O-N 3.35Å; D316-V320 PolarHBondContact O-N 3.21Å
317	A	97.9	Very high	96.2	Very high	73 Å²	73	67.5 Å²	67.5	60%	0.603	37%	0.367	S	S	*	.	H	α-helix	trans	-58.3	-32.5	-178.1	0	0	0	0	0	112.9	V315 V319 V320 T321	V315-A317 PolarHBondContact O-N 2.97Å; A317-V319 VanDerWaalsContact C-N 3.34Å; A317-V320 PolarHBondContact O-N 3.05Å; A317-T321 WeakPolarHBondContact O-CB 3.49Å; A317-T321 PolarHBondContact O-N 3.4Å; A317-T321 PolarHBondContact O-OG1 3.5Å
318	S	97.8	Very high	96.8	Very high	73 Å²	73	68.9 Å²	68.9	51%	0.51	37%	0.368	S	S	.	.	H	α-helix	trans	-66.3	-37.1	175.3	68.9	0	0	0	0	111.8	D316 K322	D316-S318 VanDerWaalsContact CG-OG 3.27Å; D316-S318 PolarHBondContact O-N 3.48Å; D316-S318 VanDerWaalsContact OD1-CB 3.31Å; D316-S318 WeakPolarHBondContact OD1-CB 3.39Å; D316-S318 PolarHBondContact OD1-N 2.99Å; D316-S318 PolarHBondContact OD1-OG 3.38Å; S318-K322 WeakPolarHBondContact O-CB 3.41Å; S318-K322 PolarHBondContact O-N 2.96Å
319	V	98.2	Very high	97.1	Very high	15 Å²	15	68.5 Å²	68.5	9%	0.091	37%	0.374	C	S	.	.	H	α-helix	trans	-71.3	-41.9	176.2	174.2	0	0	0	0	110.8	F209 E210 I214 V315 D316 A317 K322 L323	F209-V319 HydrophobicContact CE1-CG1 4.48Å; E210-V319 HydrophobicContact CB-CG2 4.23Å; E210-V319 HydrophobicContact CG-CB 4.29Å; E210-V319 HydrophobicContact CG-CG1 4.33Å; E210-V319 HydrophobicContact CG-CG2 3.8Å; I214-V319 HydrophobicContact CD1-CG1 4.15Å; I214-V319 HydrophobicContact CG1-CG1 3.95Å; I214-V319 HydrophobicContact CG1-CG2 4.08Å; V315-V319 HydrophobicContact CG1-CB 4.24Å; V315-V319 HydrophobicContact CG1-CG1 4.11Å; D316-V319 HydrophobicContact CB-CB 4.3Å; D316-V319 HydrophobicContact CB-CG2 4.05Å; D316-V319 WeakPolarHBondContact O-CA 3.16Å; D316-V319 WeakPolarHBondContact O-CB 3.45Å; D316-V319 PolarHBondContact O-N 3.35Å; A317-V319 VanDerWaalsContact C-N 3.34Å; V319-K322 PolarHBondContact O-N 3.37Å; V319-L323 HydrophobicContact CG1-CD1 4.07Å; V319-L323 WeakPolarHBondContact O-CB 3.36Å; V319-L323 WeakPolarHBondContact O-CG 3.38Å; V319-L323 PolarHBondContact O-N 3.42Å
320	V	98.5	Very high	97.5	Very high	39 Å²	39	69.5 Å²	69.5	24%	0.236	37%	0.365	C	S	.	.	H	α-helix	trans	-58.1	-50.4	173.6	173.8	0	0	0	0	110.6	T185 V315 D316 A317 K322 L323 Q324	T185-V320 HydrophobicContact CG2-CG1 4.33Å; V315-V320 HydrophobicContact CB-CG2 4.09Å; V315-V320 HydrophobicContact CG1-CG2 3.89Å; D316-V320 PolarHBondContact O-N 3.21Å; A317-V320 PolarHBondContact O-N 3.05Å; V320-K322 VanDerWaalsContact C-N 3.31Å; V320-K322 PolarHBondContact O-N 3.06Å; V320-L323 PolarHBondContact O-N 3.17Å; V320-Q324 HydrophobicContact CG1-CG 4.4Å; V320-Q324 WeakPolarHBondContact O-CG 3.49Å; V320-Q324 PolarHBondContact O-N 3.44Å
321	T	98.3	Very high	97.8	Very high	85 Å²	85	67.5 Å²	67.5	52%	0.521	36%	0.358	S	S	.	.	H	α-helix	trans	-59.3	-43	179.1	-56.9	0	0	0	0	111.4	A317 Q324 K325	A317-T321 WeakPolarHBondContact O-CB 3.49Å; A317-T321 PolarHBondContact O-N 3.4Å; A317-T321 PolarHBondContact O-OG1 3.5Å; T321-Q324 PolarHBondContact O-N 3.49Å; T321-K325 WeakPolarHBondContact O-CB 3.32Å; T321-K325 PolarHBondContact O-N 3.03Å
322	K	98.6	Very high	98.1	Very high	74 Å²	74	64.3 Å²	64.3	32%	0.322	34%	0.34	S	S	.	.	H	α-helix	trans	-63.5	-41.6	177.5	-176	169.1	-75.1	-177.9	0	112	I214 C219 V221 S318 V319 V320 F326	I214-K322 HydrophobicContact CD1-CD 3.89Å; I214-K322 HydrophobicContact CD1-CG 4.4Å; C219-K322 WeakPolarHBondContact O-CD 3.09Å; C219-K322 PolarHBondContact O-NZ 3.39Å; V221-K322 HydrophobicContact CG2-CD 4.49Å; V221-K322 HydrophobicContact CG2-CG 3.89Å; S318-K322 WeakPolarHBondContact O-CB 3.41Å; S318-K322 PolarHBondContact O-N 2.96Å; V319-K322 PolarHBondContact O-N 3.37Å; V320-K322 VanDerWaalsContact C-N 3.31Å; V320-K322 PolarHBondContact O-N 3.06Å; K322-F326 WeakPolarHBondContact O-CB 3.43Å; K322-F326 PolarHBondContact O-N 2.99Å
323	L	98.7	Very high	98.2	Very high	0 Å²	0	65.2 Å²	65.2	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-66.6	-43.8	176.1	-75.2	169.5	0	0	0	112.4	T185 F209 A213 V221 V228 V319 V320 F326 F327	T185-L323 HydrophobicContact CG2-CB 3.85Å; T185-L323 HydrophobicContact CG2-CD1 3.88Å; F209-L323 HydrophobicContact CE1-CD1 3.55Å; F209-L323 HydrophobicContact CZ-CD1 3.8Å; A213-L323 HydrophobicContact CB-CD1 4.4Å; V221-L323 HydrophobicContact CB-CD2 4.45Å; V221-L323 HydrophobicContact CG1-CD2 3.69Å; V221-L323 HydrophobicContact CG2-CD2 3.88Å; V228-L323 HydrophobicContact CG2-CD2 4.07Å; V319-L323 HydrophobicContact CG1-CD1 4.07Å; V319-L323 WeakPolarHBondContact O-CB 3.36Å; V319-L323 WeakPolarHBondContact O-CG 3.38Å; V319-L323 PolarHBondContact O-N 3.42Å; V320-L323 PolarHBondContact O-N 3.17Å; L323-F326 WeakPolarHBondContact O-CB 3.26Å; L323-F326 PolarHBondContact O-N 3.5Å; L323-F327 HydrophobicContact CB-CD2 4.32Å; L323-F327 HydrophobicContact CB-CE2 4.09Å; L323-F327 HydrophobicContact CD2-CE2 4.05Å; L323-F327 HydrophobicContact CD2-CZ 4.42Å; L323-F327 WeakPolarHBondContact O-CD2 3.49Å; L323-F327 WeakPolarHBondContact O-CG 3.42Å; L323-F327 PolarHBondContact O-N 3.37Å
324	Q	98.7	Very high	98.3	Very high	45 Å²	45	63.1 Å²	63.1	21%	0.21	33%	0.329	C	S	.	.	H	α-helix	trans	-58.9	-49.2	176.2	-72.5	169.8	-19.7	0	0	110.9	V320 T321 F326 F327 H328 P345	V320-Q324 HydrophobicContact CG1-CG 4.4Å; V320-Q324 WeakPolarHBondContact O-CG 3.49Å; V320-Q324 PolarHBondContact O-N 3.44Å; T321-Q324 PolarHBondContact O-N 3.49Å; Q324-F326 VanDerWaalsContact C-N 3.3Å; Q324-F326 PolarHBondContact O-N 3.1Å; Q324-F327 PolarHBondContact O-N 3.4Å; Q324-F327 VanDerWaalsContact O-N 3.16Å; Q324-H328 PolarHBondContact O-N 2.94Å; Q324-P345 HydrophobicContact CG-CG 4.12Å; Q324-P345 VanDerWaalsContact NE2-CG 3.29Å
325	K	98.6	Very high	98.4	Very high	173 Å²	173	54.6 Å²	54.6	75%	0.752	29%	0.289	S	S	*	.	H	α-helix	trans	-58.5	-41.1	175.1	-173.4	176.7	-179.5	179.1	0	112.3	T321 P329	T321-K325 WeakPolarHBondContact O-CB 3.32Å; T321-K325 PolarHBondContact O-N 3.03Å; K325-P329 WeakPolarHBondContact O-CD 3.43Å
326	F	98.7	Very high	98.5	Very high	45 Å²	45	61.3 Å²	61.3	20%	0.197	32%	0.319	C	S	.	.	H	α-helix	trans	-64	-43	176.2	168.2	-94.7	0	0	0	112.6	V221 T223 V228 I232 K322 L323 Q324 P329 F330	V221-F326 HydrophobicContact CB-CB 4.21Å; V221-F326 HydrophobicContact CB-CD1 4.3Å; V221-F326 HydrophobicContact CB-CD2 3.84Å; V221-F326 HydrophobicContact CB-CE2 4.31Å; V221-F326 HydrophobicContact CB-CG 3.84Å; V221-F326 HydrophobicContact CG1-CB 4.47Å; V221-F326 HydrophobicContact CG1-CD1 3.73Å; V221-F326 HydrophobicContact CG1-CD2 4.04Å; V221-F326 HydrophobicContact CG1-CE1 3.93Å; V221-F326 HydrophobicContact CG1-CE2 4.23Å; V221-F326 HydrophobicContact CG1-CG 3.8Å; V221-F326 HydrophobicContact CG1-CZ 4.19Å; V221-F326 HydrophobicContact CG2-CB 3.64Å; V221-F326 HydrophobicContact CG2-CD1 4.43Å; V221-F326 HydrophobicContact CG2-CD2 4.21Å; V221-F326 HydrophobicContact CG2-CG 3.84Å; T223-F326 HydrophobicContact CG2-CE2 3.78Å; T223-F326 HydrophobicContact CG2-CZ 3.61Å; V228-F326 HydrophobicContact CG1-CE1 3.82Å; V228-F326 HydrophobicContact CG1-CZ 4.37Å; I232-F326 HydrophobicContact CD1-CE1 4.16Å; I232-F326 HydrophobicContact CD1-CZ 3.97Å; I232-F326 HydrophobicContact CG1-CE1 4.26Å; K322-F326 WeakPolarHBondContact O-CB 3.43Å; K322-F326 PolarHBondContact O-N 2.99Å; L323-F326 WeakPolarHBondContact O-CB 3.26Å; L323-F326 PolarHBondContact O-N 3.5Å; Q324-F326 VanDerWaalsContact C-N 3.3Å; Q324-F326 PolarHBondContact O-N 3.1Å; F326-P329 WeakPolarHBondContact O-CD 3.25Å; F326-F330 HydrophobicContact CE1-CD2 4.49Å; F326-F330 HydrophobicContact CE1-CE2 4.12Å; F326-F330 AromaticContact CE2-CE2 3.99Å; F326-F330 HydrophobicContact CE2-CE2 3.99Å; F326-F330 AromaticContact CZ-CE2 3.75Å; F326-F330 HydrophobicContact CZ-CE2 3.75Å; F326-F330 HydrophobicContact CZ-CZ 4.47Å; F326-F330 WeakPolarHBondContact O-CD2 3.11Å; F326-F330 WeakPolarHBondContact O-CE2 3.47Å
327	F	98.8	Very high	98.5	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-75.8	-26.8	-178.9	-69.4	-56.5	0	0	0	113.2	P184 V228 I232 L323 Q324 F330 N331	P184-F327 HydrophobicContact CB-CB 3.96Å; P184-F327 HydrophobicContact CB-CD1 3.93Å; P184-F327 HydrophobicContact CB-CD2 3.51Å; P184-F327 HydrophobicContact CB-CE1 4.31Å; P184-F327 HydrophobicContact CB-CE2 3.92Å; P184-F327 HydrophobicContact CB-CG 3.53Å; P184-F327 HydrophobicContact CB-CZ 4.31Å; P184-F327 HydrophobicContact CG-CB 4.22Å; P184-F327 HydrophobicContact CG-CG 4.3Å; V228-F327 HydrophobicContact CG1-CE1 4.28Å; V228-F327 HydrophobicContact CG1-CZ 4.09Å; I232-F327 HydrophobicContact CG1-CD1 4.49Å; I232-F327 HydrophobicContact CG1-CE1 4.11Å; L323-F327 HydrophobicContact CB-CD2 4.32Å; L323-F327 HydrophobicContact CB-CE2 4.09Å; L323-F327 HydrophobicContact CD2-CE2 4.05Å; L323-F327 HydrophobicContact CD2-CZ 4.42Å; L323-F327 WeakPolarHBondContact O-CD2 3.49Å; L323-F327 WeakPolarHBondContact O-CG 3.42Å; L323-F327 PolarHBondContact O-N 3.37Å; Q324-F327 PolarHBondContact O-N 3.4Å; Q324-F327 VanDerWaalsContact O-N 3.16Å; F327-F330 CarbonylContact O-C 3.59Å; F327-F330 WeakPolarHBondContact O-CA 3.3Å; F327-F330 WeakPolarHBondContact O-CB 3.16Å; F327-F330 PolarHBondContact O-N 3.06Å; F327-N331 VanDerWaalsContact O-CG 3.22Å; F327-N331 PolarHBondContact O-N 2.92Å; F327-N331 PolarHBondContact O-OD1 2.96Å
328	H	98.7	Very high	98.5	Very high	80 Å²	80	57.1 Å²	57.1	37%	0.37	29%	0.287	S	S	.	.	H	α-helix	trans	-45.6	-54.2	-175.4	-169.1	86.8	0	0	0	115.1	Q324 F330 N331 Q332	Q324-H328 PolarHBondContact O-N 2.94Å; H328-F330 VanDerWaalsContact C-N 3.29Å; H328-F330 PolarHBondContact O-N 3.41Å; H328-N331 WeakPolarHBondContact O-CB 3.38Å; H328-N331 PolarHBondContact O-N 3.5Å; H328-N331 VanDerWaalsContact O-N 3.12Å; H328-Q332 PolarHBondContact CE1-NE2 3.34Å; H328-Q332 VanDerWaalsContact CE1-NE2 3.31Å; H328-Q332 PolarHBondContact NE2-NE2 3.43Å; H328-Q332 WeakPolarHBondContact O-CG 3.49Å; H328-Q332 PolarHBondContact O-N 2.95Å
329	P	98.6	Very high	98.5	Very high	79 Å²	79	57.2 Å²	57.2	51%	0.513	30%	0.3	S	S	.	.	H	α-helix	trans	-62.6	-34.4	179.1	24.6	-35.3	0	0	0	113.2	K325 F326 K333	K325-P329 WeakPolarHBondContact O-CD 3.43Å; F326-P329 WeakPolarHBondContact O-CD 3.25Å; P329-K333 PolarHBondContact O-N 3.02Å
330	F	98.7	Very high	98.4	Very high	67 Å²	67	59.1 Å²	59.1	29%	0.294	31%	0.305	S	S	.	.	H	α-helix	trans	-71.4	-33.8	176	-58.1	-69.7	0	0	0	112.1	I232 T234 F326 F327 H328 F334	I232-F330 HydrophobicContact CG2-CB 4.17Å; I232-F330 HydrophobicContact CG2-CD1 3.59Å; I232-F330 HydrophobicContact CG2-CD2 4.22Å; I232-F330 HydrophobicContact CG2-CE1 3.97Å; I232-F330 HydrophobicContact CG2-CG 3.73Å; I232-F330 HydrophobicContact CG2-CZ 4.43Å; T234-F330 HydrophobicContact CG2-CB 3.91Å; T234-F330 HydrophobicContact CG2-CD1 3.76Å; T234-F330 HydrophobicContact CG2-CG 4.31Å; F326-F330 HydrophobicContact CE1-CD2 4.49Å; F326-F330 HydrophobicContact CE1-CE2 4.12Å; F326-F330 AromaticContact CE2-CE2 3.99Å; F326-F330 HydrophobicContact CE2-CE2 3.99Å; F326-F330 AromaticContact CZ-CE2 3.75Å; F326-F330 HydrophobicContact CZ-CE2 3.75Å; F326-F330 HydrophobicContact CZ-CZ 4.47Å; F326-F330 WeakPolarHBondContact O-CD2 3.11Å; F326-F330 WeakPolarHBondContact O-CE2 3.47Å; F327-F330 CarbonylContact O-C 3.59Å; F327-F330 WeakPolarHBondContact O-CA 3.3Å; F327-F330 WeakPolarHBondContact O-CB 3.16Å; F327-F330 PolarHBondContact O-N 3.06Å; H328-F330 VanDerWaalsContact C-N 3.29Å; H328-F330 PolarHBondContact O-N 3.41Å; F330-F334 WeakPolarHBondContact O-CB 3.46Å; F330-F334 PolarHBondContact O-N 3.1Å
331	N	98.8	Very high	98.4	Very high	3 Å²	3	61.3 Å²	61.3	2%	0.016	32%	0.319	C	S	.	.	H	α-helix	trans	-65.5	-48.8	175.9	-64.8	-13.7	0	0	0	110.5	P184 F327 H328 K333 F334 Y335 W344	P184-N331 VanDerWaalsContact CG-OD1 3.27Å; P184-N331 WeakPolarHBondContact CG-OD1 3.42Å; F327-N331 VanDerWaalsContact O-CG 3.22Å; F327-N331 PolarHBondContact O-N 2.92Å; F327-N331 PolarHBondContact O-OD1 2.96Å; H328-N331 WeakPolarHBondContact O-CB 3.38Å; H328-N331 PolarHBondContact O-N 3.5Å; H328-N331 VanDerWaalsContact O-N 3.12Å; N331-K333 VanDerWaalsContact C-N 3.3Å; N331-K333 PolarHBondContact O-N 3.43Å; N331-F334 WeakPolarHBondContact O-CA 3.46Å; N331-F334 WeakPolarHBondContact O-CB 3.33Å; N331-F334 PolarHBondContact O-N 3.49Å; N331-Y335 HydrophobicContact CB-CE1 4.36Å; N331-Y335 HydrophobicContact CB-CE2 4.18Å; N331-Y335 VanDerWaalsContact O-CD1 3.22Å; N331-Y335 WeakPolarHBondContact O-CD1 3.5Å; N331-Y335 WeakPolarHBondContact O-CD2 3.34Å; N331-Y335 PolarHBondContact O-N 2.76Å; N331-W344 HydrophobicContact CB-CE3 4.17Å
332	Q	98.7	Very high	98.3	Very high	91 Å²	91	58 Å²	58	43%	0.425	30%	0.297	S	S	.	.	H	α-helix	trans	-57.2	-45.1	177.4	-63.8	-53.6	-30.2	0	0	111.6	H328 F334 Y335 Q336	H328-Q332 PolarHBondContact CE1-NE2 3.34Å; H328-Q332 VanDerWaalsContact CE1-NE2 3.31Å; H328-Q332 PolarHBondContact NE2-NE2 3.43Å; H328-Q332 WeakPolarHBondContact O-CG 3.49Å; H328-Q332 PolarHBondContact O-N 2.95Å; Q332-F334 PolarHBondContact O-N 3.26Å; Q332-Y335 PolarHBondContact O-N 3.35Å; Q332-Q336 PolarHBondContact O-N 3.08Å
333	K	98.7	Very high	98	Very high	85 Å²	85	61.1 Å²	61.1	37%	0.37	32%	0.318	S	S	.	.	H	α-helix	trans	-63.3	-40	175.6	-171	174.4	177.4	-179.6	0	112.4	T234 E238 P329 N331 Y335 Q336 I337	T234-K333 HydrophobicContact CG2-CD 4.39Å; T234-K333 WeakPolarHBondContact OG1-CG 3.49Å; E238-K333 WeakPolarHBondContact OE1-CE 3.36Å; E238-K333 IonicContact OE1-NZ 2.59Å; E238-K333 PolarHBondContact OE1-NZ 3.27Å; E238-K333 IonicContact OE2-NZ 3.94Å; P329-K333 PolarHBondContact O-N 3.02Å; N331-K333 VanDerWaalsContact C-N 3.3Å; N331-K333 PolarHBondContact O-N 3.43Å; K333-Y335 VanDerWaalsContact C-N 3.34Å; K333-Q336 PolarHBondContact O-N 3.43Å; K333-I337 HydrophobicContact CG-CD1 4Å; K333-I337 VanDerWaalsContact O-CG1 3.25Å; K333-I337 WeakPolarHBondContact O-CG1 3.28Å; K333-I337 PolarHBondContact O-N 3.16Å
334	F	98.8	Very high	98	Very high	1 Å²	1	62 Å²	62	0%	0.004	32%	0.321	C	S	.	.	H	α-helix	trans	-62.7	-40.8	175.3	-176.6	-101.3	0	0	0	111.8	V181 L237 I251 F330 N331 Q332 I337 T338 F342 W344	V181-F334 HydrophobicContact CG1-CE1 4.4Å; V181-F334 HydrophobicContact CG1-CZ 3.95Å; V181-F334 HydrophobicContact CG2-CE1 4.16Å; V181-F334 HydrophobicContact CG2-CZ 4.41Å; L237-F334 HydrophobicContact CB-CE2 4.45Å; L237-F334 HydrophobicContact CD2-CD2 3.92Å; L237-F334 HydrophobicContact CD2-CE2 3.71Å; I251-F334 HydrophobicContact CD1-CZ 4.38Å; I251-F334 HydrophobicContact CG1-CZ 4.42Å; I251-F334 HydrophobicContact CG2-CE1 3.97Å; I251-F334 HydrophobicContact CG2-CZ 3.74Å; F330-F334 WeakPolarHBondContact O-CB 3.46Å; F330-F334 PolarHBondContact O-N 3.1Å; N331-F334 WeakPolarHBondContact O-CA 3.46Å; N331-F334 WeakPolarHBondContact O-CB 3.33Å; N331-F334 PolarHBondContact O-N 3.49Å; Q332-F334 PolarHBondContact O-N 3.26Å; F334-I337 PolarHBondContact O-N 3.18Å; F334-T338 HydrophobicContact CD1-CG2 4.38Å; F334-T338 HydrophobicContact CD2-CG2 4.18Å; F334-T338 HydrophobicContact CE1-CG2 4.1Å; F334-T338 HydrophobicContact CE2-CG2 3.9Å; F334-T338 HydrophobicContact CG-CG2 4.42Å; F334-T338 HydrophobicContact CZ-CG2 3.86Å; F334-T338 WeakPolarHBondContact O-CB 3.49Å; F334-T338 VanDerWaalsContact O-CG2 3.24Å; F334-T338 WeakPolarHBondContact O-CG2 3.3Å; F334-T338 PolarHBondContact O-N 2.78Å; F334-T338 PolarHBondContact O-OG1 3.26Å; F334-F342 HydrophobicContact CD1-CE2 4.23Å; F334-F342 HydrophobicContact CE1-CD2 4.4Å; F334-F342 AromaticContact CE1-CE2 3.75Å; F334-F342 HydrophobicContact CE1-CE2 3.75Å; F334-F342 HydrophobicContact CE1-CZ 4.27Å; F334-W344 HydrophobicContact CD1-CH2 4.35Å; F334-W344 HydrophobicContact CD1-CZ3 4.33Å; F334-W344 HydrophobicContact CE1-CH2 4.27Å
335	Y	98.6	Very high	97.7	Very high	10 Å²	10	64.3 Å²	64.3	4%	0.039	34%	0.34	C	S	.	.	H	α-helix	trans	-64.8	-43.8	176.9	-54.3	-21.2	0	0	0	111.6	N331 Q332 K333 I337 T338 G339 R340 T341 F342 W344	N331-Y335 HydrophobicContact CB-CE1 4.36Å; N331-Y335 HydrophobicContact CB-CE2 4.18Å; N331-Y335 VanDerWaalsContact O-CD1 3.22Å; N331-Y335 WeakPolarHBondContact O-CD1 3.5Å; N331-Y335 WeakPolarHBondContact O-CD2 3.34Å; N331-Y335 PolarHBondContact O-N 2.76Å; Q332-Y335 PolarHBondContact O-N 3.35Å; K333-Y335 VanDerWaalsContact C-N 3.34Å; Y335-I337 PolarHBondContact O-N 3.01Å; Y335-T338 PolarHBondContact O-N 3.44Å; Y335-T338 PolarHBondContact O-OG1 3.47Å; Y335-G339 WeakPolarHBondContact O-CA 3.5Å; Y335-G339 PolarHBondContact O-N 3.04Å; Y335-R340 WeakPolarHBondContact CA-O 3.27Å; Y335-R340 WeakPolarHBondContact CD1-O 2.99Å; Y335-R340 PolarHBondContact O-N 3.25Å; Y335-T341 HydrophobicContact CD2-CG2 3.94Å; Y335-T341 HydrophobicContact CE2-CG2 4.11Å; Y335-T341 HydrophobicContact CG-CG2 4.45Å; Y335-F342 AromaticContact CD1-CD2 3.63Å; Y335-F342 HydrophobicContact CD1-CD2 3.63Å; Y335-F342 HydrophobicContact CD1-CE2 4.28Å; Y335-F342 HydrophobicContact CE1-CB 3.91Å; Y335-F342 AromaticContact CE1-CD2 3.44Å; Y335-F342 HydrophobicContact CE1-CD2 3.44Å; Y335-F342 VanDerWaalsContact CE1-CD2 3.44Å; Y335-F342 HydrophobicContact CE1-CE2 4.42Å; Y335-F342 HydrophobicContact CE1-CG 4.12Å; Y335-W344 HydrophobicContact CE1-CD2 4.39Å; Y335-W344 AromaticContact CE1-CE3 3.73Å; Y335-W344 HydrophobicContact CE1-CE3 3.73Å; Y335-W344 HydrophobicContact CE1-CH2 4.36Å; Y335-W344 AromaticContact CE1-CZ3 3.72Å; Y335-W344 HydrophobicContact CE1-CZ3 3.72Å; Y335-W344 AromaticContact CZ-CE3 3.77Å; Y335-W344 WeakPolarHBondContact OH-CB 3.41Å; Y335-W344 VanDerWaalsContact OH-CD2 3.24Å; Y335-W344 PolarHBondContact OH-N 3.32Å
336	Q	98.4	Very high	97.6	Very high	163 Å²	163	58.9 Å²	58.9	76%	0.762	32%	0.32	S	S	*	.	H	α-helix	trans	-59.4	-47.7	176.4	-174.4	-176.9	7.1	0	0	111.8	Q332 K333 T338	Q332-Q336 PolarHBondContact O-N 3.08Å; K333-Q336 PolarHBondContact O-N 3.43Å; Q336-T338 PolarHBondContact O-N 3.3Å
337	I	98.2	Very high	97.6	Very high	44 Å²	44	59.6 Å²	59.6	23%	0.226	33%	0.326	C	S	.	.	H	α-helix	trans	-63.9	-42.5	-179.9	-69.5	167.6	0	0	0	111.2	T234 L237 E238 L241 K333 F334 Y335	T234-I337 WeakPolarHBondContact OG1-CD1 3.28Å; L237-I337 HydrophobicContact CD2-CB 4.38Å; L237-I337 HydrophobicContact CD2-CG2 3.56Å; L237-I337 HydrophobicContact CG-CG2 4.26Å; E238-I337 HydrophobicContact CG-CD1 4.3Å; L241-I337 HydrophobicContact CD1-CG2 3.48Å; L241-I337 VanDerWaalsContact CD1-CG2 3.48Å; K333-I337 HydrophobicContact CG-CD1 4Å; K333-I337 VanDerWaalsContact O-CG1 3.25Å; K333-I337 WeakPolarHBondContact O-CG1 3.28Å; K333-I337 PolarHBondContact O-N 3.16Å; F334-I337 PolarHBondContact O-N 3.18Å; Y335-I337 PolarHBondContact O-N 3.01Å
338	T	97.7	Very high	97.5	Very high	27 Å²	27	62.9 Å²	62.9	17%	0.166	34%	0.344	C	S	.	.	H	α-helix	trans	-88.1	-10.8	-172.2	59.6	0	0	0	0	113.5	L237 I251 F334 Y335 Q336 R340	L237-T338 HydrophobicContact CD2-CG2 3.57Å; I251-T338 HydrophobicContact CD1-CG2 4.11Å; I251-T338 HydrophobicContact CG1-CG2 3.64Å; F334-T338 HydrophobicContact CD1-CG2 4.38Å; F334-T338 HydrophobicContact CD2-CG2 4.18Å; F334-T338 HydrophobicContact CE1-CG2 4.1Å; F334-T338 HydrophobicContact CE2-CG2 3.9Å; F334-T338 HydrophobicContact CG-CG2 4.42Å; F334-T338 HydrophobicContact CZ-CG2 3.86Å; F334-T338 WeakPolarHBondContact O-CB 3.49Å; F334-T338 VanDerWaalsContact O-CG2 3.24Å; F334-T338 WeakPolarHBondContact O-CG2 3.3Å; F334-T338 PolarHBondContact O-N 2.78Å; F334-T338 PolarHBondContact O-OG1 3.26Å; Y335-T338 PolarHBondContact O-N 3.44Å; Y335-T338 PolarHBondContact O-OG1 3.47Å; Q336-T338 PolarHBondContact O-N 3.3Å; T338-R340 PolarHBondContact O-N 2.74Å; T338-R340 PolarHBondContact OG1-N 3.4Å; T338-R340 PolarHBondContact OG1-O 2.96Å
339	G	97.4	Very high	97.4	Very high	76 Å²	76	61.9 Å²	61.9	78%	0.784	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.3	15.8	-172.2	0	0	0	0	0	113.7	Y335	Y335-G339 WeakPolarHBondContact O-CA 3.5Å; Y335-G339 PolarHBondContact O-N 3.04Å
340	R	97.1	Very high	97.4	Very high	54 Å²	54	60.9 Å²	60.9	20%	0.204	33%	0.332	C	S	.	.			trans	-131.6	123.9	-174.7	-174.6	174.3	176.5	166.5	13	111.1	I251 E264 Y335 T338 F342	I251-R340 PolarHBondContact O-NH1 2.84Å; E264-R340 IonicContact OE1-CZ 3.4Å; E264-R340 IonicContact OE1-NH1 3.85Å; E264-R340 IonicContact OE1-NH2 3.69Å; E264-R340 PolarHBondContact OE1-NH2 2.94Å; E264-R340 IonicContact OE2-CZ 3.71Å; E264-R340 IonicContact OE2-NH1 3.31Å; E264-R340 PolarHBondContact OE2-NH1 2.79Å; E264-R340 IonicContact OE2-NH2 2.81Å; E264-R340 PolarHBondContact OE2-NH2 3.22Å; E264-R340 VanDerWaalsContact OE2-NH2 3.08Å; Y335-R340 WeakPolarHBondContact CA-O 3.27Å; Y335-R340 WeakPolarHBondContact CD1-O 2.99Å; Y335-R340 PolarHBondContact O-N 3.25Å; T338-R340 PolarHBondContact O-N 2.74Å; T338-R340 PolarHBondContact OG1-N 3.4Å; T338-R340 PolarHBondContact OG1-O 2.96Å; R340-F342 HydrophobicContact CB-CE2 4.02Å; R340-F342 HydrophobicContact CB-CZ 4.26Å; R340-F342 HydrophobicContact CG-CD2 4.46Å; R340-F342 HydrophobicContact CG-CE1 4.4Å; R340-F342 HydrophobicContact CG-CE2 3.83Å; R340-F342 HydrophobicContact CG-CZ 3.77Å; R340-F342 WeakPolarHBondContact O-CD2 3.35Å; R340-F342 VanDerWaalsContact O-CE2 3.26Å; R340-F342 WeakPolarHBondContact O-CE2 3.42Å
341	T	97.1	Very high	97.3	Very high	86 Å²	86	60.5 Å²	60.5	53%	0.528	34%	0.335	S	S	.	.			trans	-96.5	136.1	176.1	-54	0	0	0	0	110.7	Y335 N343	Y335-T341 HydrophobicContact CD2-CG2 3.94Å; Y335-T341 HydrophobicContact CE2-CG2 4.11Å; Y335-T341 HydrophobicContact CG-CG2 4.45Å; T341-N343 WeakPolarHBondContact CG2-OD1 3.44Å
342	F	95.9	Very high	97.2	Very high	14 Å²	14	64.6 Å²	64.6	6%	0.061	36%	0.357	C	S	.	.			trans	-110.6	-3.5	-177	-62.5	-99	0	0	0	113.4	V181 I251 D253 F334 Y335 R340 W344	V181-F342 HydrophobicContact CG2-CD1 4.21Å; V181-F342 HydrophobicContact CG2-CE1 3.7Å; V181-F342 HydrophobicContact CG2-CZ 3.89Å; I251-F342 HydrophobicContact CB-CZ 4.08Å; I251-F342 HydrophobicContact CG2-CE1 4.19Å; I251-F342 HydrophobicContact CG2-CE2 4.23Å; I251-F342 HydrophobicContact CG2-CZ 3.43Å; I251-F342 VanDerWaalsContact CG2-CZ 3.43Å; D253-F342 HydrophobicContact CB-CD1 3.74Å; D253-F342 HydrophobicContact CB-CE1 3.65Å; F334-F342 HydrophobicContact CD1-CE2 4.23Å; F334-F342 HydrophobicContact CE1-CD2 4.4Å; F334-F342 AromaticContact CE1-CE2 3.75Å; F334-F342 HydrophobicContact CE1-CE2 3.75Å; F334-F342 HydrophobicContact CE1-CZ 4.27Å; Y335-F342 AromaticContact CD1-CD2 3.63Å; Y335-F342 HydrophobicContact CD1-CD2 3.63Å; Y335-F342 HydrophobicContact CD1-CE2 4.28Å; Y335-F342 HydrophobicContact CE1-CB 3.91Å; Y335-F342 AromaticContact CE1-CD2 3.44Å; Y335-F342 HydrophobicContact CE1-CD2 3.44Å; Y335-F342 VanDerWaalsContact CE1-CD2 3.44Å; Y335-F342 HydrophobicContact CE1-CE2 4.42Å; Y335-F342 HydrophobicContact CE1-CG 4.12Å; R340-F342 HydrophobicContact CB-CE2 4.02Å; R340-F342 HydrophobicContact CB-CZ 4.26Å; R340-F342 HydrophobicContact CG-CD2 4.46Å; R340-F342 HydrophobicContact CG-CE1 4.4Å; R340-F342 HydrophobicContact CG-CE2 3.83Å; R340-F342 HydrophobicContact CG-CZ 3.77Å; R340-F342 WeakPolarHBondContact O-CD2 3.35Å; R340-F342 VanDerWaalsContact O-CE2 3.26Å; R340-F342 WeakPolarHBondContact O-CE2 3.42Å; F342-W344 HydrophobicContact CB-CD2 3.88Å; F342-W344 VanDerWaalsContact CB-CE2 3.45Å; F342-W344 HydrophobicContact CB-CE3 4.47Å; F342-W344 HydrophobicContact CB-CG 4.25Å; F342-W344 HydrophobicContact CB-CH2 4.28Å; F342-W344 HydrophobicContact CB-CZ2 3.69Å; F342-W344 AromaticContact CD1-CZ2 3.91Å; F342-W344 HydrophobicContact CD1-CZ2 3.91Å; F342-W344 HydrophobicContact CD2-CH2 4.2Å; F342-W344 HydrophobicContact CD2-CZ2 4.27Å; F342-W344 HydrophobicContact CG-CH2 4.08Å; F342-W344 AromaticContact CG-CZ2 3.69Å; F342-W344 HydrophobicContact CG-CZ2 3.69Å; F342-W344 PolarHBondContact O-N 3.33Å
343	N	93.7	Very high	97	Very high	141 Å²	141	62.5 Å²	62.5	75%	0.754	35%	0.352	S	S	*	.			trans	52.5	39.6	-179.8	-56.7	-36	0	0	0	113.4	T341	T341-N343 WeakPolarHBondContact CG2-OD1 3.44Å
344	W	97.8	Very high	96.9	Very high	17 Å²	17	60.7 Å²	60.7	6%	0.064	35%	0.351	C	S	.	.			trans	-69.2	143.9	171.3	-60.6	-34.2	0	0	0	110.1	V181 R182 E183 P184 Y233 D255 N331 F334 Y335 F342	V181-W344 HydrophobicContact CB-CH2 3.96Å; V181-W344 HydrophobicContact CB-CZ2 4.1Å; V181-W344 HydrophobicContact CG2-CH2 3.75Å; V181-W344 HydrophobicContact CG2-CZ2 3.78Å; R182-W344 WeakPolarHBondContact O-CZ2 3.36Å; E183-W344 HydrophobicContact CB-CG 4.13Å; E183-W344 HydrophobicContact CG-CB 4.06Å; E183-W344 HydrophobicContact CG-CG 4.02Å; P184-W344 VanDerWaalsContact CD-CE3 3.47Å; P184-W344 HydrophobicContact CG-CD2 4.4Å; P184-W344 HydrophobicContact CG-CE3 3.81Å; P184-W344 HydrophobicContact CG-CZ3 4.08Å; Y233-W344 AromaticContact CD2-CH2 3.72Å; Y233-W344 HydrophobicContact CD2-CH2 3.72Å; Y233-W344 AromaticContact CD2-CZ3 3.82Å; Y233-W344 HydrophobicContact CD2-CZ3 3.82Å; Y233-W344 AromaticContact CE2-CH2 3.51Å; Y233-W344 HydrophobicContact CE2-CH2 3.51Å; Y233-W344 HydrophobicContact CE2-CZ2 4.27Å; Y233-W344 AromaticContact CE2-CZ3 3.79Å; Y233-W344 HydrophobicContact CE2-CZ3 3.79Å; D255-W344 PolarHBondContact OD2-NE1 3.1Å; D255-W344 VanDerWaalsContact OD2-NE1 3.16Å; N331-W344 HydrophobicContact CB-CE3 4.17Å; F334-W344 HydrophobicContact CD1-CH2 4.35Å; F334-W344 HydrophobicContact CD1-CZ3 4.33Å; F334-W344 HydrophobicContact CE1-CH2 4.27Å; Y335-W344 HydrophobicContact CE1-CD2 4.39Å; Y335-W344 AromaticContact CE1-CE3 3.73Å; Y335-W344 HydrophobicContact CE1-CE3 3.73Å; Y335-W344 HydrophobicContact CE1-CH2 4.36Å; Y335-W344 AromaticContact CE1-CZ3 3.72Å; Y335-W344 HydrophobicContact CE1-CZ3 3.72Å; Y335-W344 AromaticContact CZ-CE3 3.77Å; Y335-W344 WeakPolarHBondContact OH-CB 3.41Å; Y335-W344 VanDerWaalsContact OH-CD2 3.24Å; Y335-W344 PolarHBondContact OH-N 3.32Å; F342-W344 HydrophobicContact CB-CD2 3.88Å; F342-W344 VanDerWaalsContact CB-CE2 3.45Å; F342-W344 HydrophobicContact CB-CE3 4.47Å; F342-W344 HydrophobicContact CB-CG 4.25Å; F342-W344 HydrophobicContact CB-CH2 4.28Å; F342-W344 HydrophobicContact CB-CZ2 3.69Å; F342-W344 AromaticContact CD1-CZ2 3.91Å; F342-W344 HydrophobicContact CD1-CZ2 3.91Å; F342-W344 HydrophobicContact CD2-CH2 4.2Å; F342-W344 HydrophobicContact CD2-CZ2 4.27Å; F342-W344 HydrophobicContact CG-CH2 4.08Å; F342-W344 AromaticContact CG-CZ2 3.69Å; F342-W344 HydrophobicContact CG-CZ2 3.69Å; F342-W344 PolarHBondContact O-N 3.33Å
345	P	92.4	Very high	96.7	Very high	95 Å²	95	66.1 Å²	66.1	62%	0.617	38%	0.382	S	S	*	.			trans	-60.6	0	-178.6	25.7	-35	0	0	0	113.8	E183 Q324	E183-P345 HydrophobicContact CG-CG 4.19Å; Q324-P345 HydrophobicContact CG-CG 4.12Å; Q324-P345 VanDerWaalsContact NE2-CG 3.29Å

Retrieved 345 of 345 residues in 207.9 ms (Link to these results)

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