G4VAB4_SCHMA Loading...

Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase

AlphaFold DB , UniProt , Accession G4VAB4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 498 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	38.3	Very low	41.5	Very low	248 Å²	248	169.3 Å²	169.3	100%	1.222	82%	0.82	S	S	*	*				0	115.4	0	-146.1	167.6	173.2	0	0	107.6
2	H	39.6	Very low	42.5	Very low	185 Å²	185	170.4 Å²	170.4	86%	0.856	82%	0.819	S	S	*	*			trans	-71.6	134.9	-179.5	-76.9	-90.6	0	0	0	111.3
3	I	40.7	Very low	43.1	Very low	159 Å²	159	169.4 Å²	169.4	82%	0.815	81%	0.809	S	S	*	*			trans	-147.5	114.8	137.1	-56.5	-174.8	0	0	0	108.1	V5	I3-V5 HydrophobicContact CG2-CG2 4Å
4	K	35.9	Very low	43.8	Very low	213 Å²	213	167.4 Å²	167.4	93%	0.926	80%	0.804	S	S	*	*			trans	-112.9	121	163.1	-103	-177.3	178.4	174.8	0	106.7
5	V	43	Very low	44.5	Very low	132 Å²	132	161.8 Å²	161.8	80%	0.8	79%	0.789	S	S	*	*			trans	-114.9	128.7	164.7	179.9	0	0	0	0	107.3	I3	I3-V5 HydrophobicContact CG2-CG2 4Å
6	R	35.8	Very low	45.4	Very low	232 Å²	232	156.6 Å²	156.6	88%	0.875	77%	0.77	S	S	*	*			trans	-133	120.8	172.7	-132.4	-169.5	-169.1	-174.3	2.1	105.1
7	W	41.2	Very low	46.5	Very low	226 Å²	226	152.1 Å²	152.1	86%	0.856	75%	0.754	S	S	*	*			trans	-161.9	116.6	149.3	-92.5	94.8	0	0	0	109.3
8	F	38.5	Very low	47.8	Very low	154 Å²	154	155.2 Å²	155.2	68%	0.675	76%	0.755	S	S	*	*			trans	37.1	140.4	152	-68.4	-96	0	0	0	121.8
9	P	42	Very low	49.2	Very low	123 Å²	123	154.3 Å²	154.3	80%	0.799	75%	0.747	S	S	*	*				-139	139.9	95.9	38.6	-24.9	0	0	0	114.8
10	T	52.3	Low	50.5	Low	104 Å²	104	152.9 Å²	152.9	64%	0.638	74%	0.741	S	S	*	*			trans	-36.7	165.7	138.9	39.2	0	0	0	0	113.3
11	P	49.4	Very low	51.8	Low	86 Å²	86	153.4 Å²	153.4	56%	0.558	74%	0.736	S	S	*	*			cis	-140.7	153.7	24.9	26	-1.2	0	0	0	116.2	F13	P11-F13 HydrophobicContact CB-CD2 4.33Å; P11-F13 HydrophobicContact CG-CD2 4.22Å; P11-F13 PolarHBondContact O-N 2.68Å
12	F	53	Low	53.8	Low	183 Å²	183	150.7 Å²	150.7	80%	0.803	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-2.3	-2.7	139.6	-97.3	-97.8	0	0	0	123.4
13	F	50.9	Low	55.8	Low	157 Å²	157	147.2 Å²	147.2	69%	0.689	70%	0.697	S	S	*	*	H	α-helix	trans	-79.6	-15.3	-177.2	-95.6	-87.5	0	0	0	115.3	P11 T16 T17	P11-F13 HydrophobicContact CB-CD2 4.33Å; P11-F13 HydrophobicContact CG-CD2 4.22Å; P11-F13 PolarHBondContact O-N 2.68Å; F13-T16 PolarHBondContact O-OG1 3.18Å; F13-T17 PolarHBondContact O-OG1 3.03Å
14	L	52.2	Low	57.9	Low	142 Å²	142	143.8 Å²	143.8	74%	0.743	68%	0.679	S	S	*	*	H	α-helix	trans	-82.5	-17.1	179.8	-83.5	153.1	0	0	0	114.1	T17	L14-T17 WeakPolarHBondContact CA-OG1 3.42Å; L14-T17 PolarHBondContact O-OG1 3.3Å
15	S	54.7	Low	60.3	Low	83 Å²	83	138.2 Å²	138.2	58%	0.58	66%	0.659	S	S	*	*	H	α-helix	trans	-80.5	-42.5	179	165.4	0	0	0	0	111.9	R18 F19	S15-R18 PolarHBondContact O-N 3.09Å; S15-F19 PolarHBondContact O-N 3.43Å; S15-F19 VanDerWaalsContact O-N 3.09Å
16	T	58.5	Low	62.3	Low	79 Å²	79	136.7 Å²	136.7	49%	0.485	65%	0.645	S	S	.	*	H	α-helix	trans	-68.4	-36.3	-179.8	50.5	0	0	0	0	111.8	F13 F19 M20	F13-T16 PolarHBondContact O-OG1 3.18Å; T16-F19 PolarHBondContact O-N 2.93Å; T16-M20 WeakPolarHBondContact O-CB 3.45Å; T16-M20 WeakPolarHBondContact O-CG 3.49Å; T16-M20 PolarHBondContact O-N 3.5Å
17	T	64.8	Low	64.8	Low	80 Å²	80	133 Å²	133	49%	0.491	64%	0.636	S	S	.	*	H	α-helix	trans	-66	-42.4	175.9	42.6	0	0	0	0	112.4	F13 L14 F19 Y21	F13-T17 PolarHBondContact O-OG1 3.03Å; L14-T17 WeakPolarHBondContact CA-OG1 3.42Å; L14-T17 PolarHBondContact O-OG1 3.3Å; T17-F19 PolarHBondContact O-N 2.91Å; T17-Y21 WeakPolarHBondContact O-CB 3.46Å; T17-Y21 PolarHBondContact O-N 3.34Å
18	R	70.2	Confident	67.1	Low	208 Å²	208	127 Å²	127	79%	0.785	62%	0.62	S	S	*	*	H	α-helix	trans	-64.7	-38.3	173.2	-89.3	-173.6	174.9	-173.7	-0.5	112.8	S15 Y21 R22	S15-R18 PolarHBondContact O-N 3.09Å; R18-Y21 PolarHBondContact O-N 2.99Å; R18-R22 WeakPolarHBondContact O-CB 3.49Å; R18-R22 PolarHBondContact O-N 3.32Å
19	F	73.2	Confident	69.4	Low	137 Å²	137	122.7 Å²	122.7	60%	0.601	61%	0.609	S	S	*	*	H	α-helix	trans	-68	-44	178.6	-162.8	-94.2	0	0	0	111.7	S15 T16 T17 Y21 R22 Q23	S15-F19 PolarHBondContact O-N 3.43Å; S15-F19 VanDerWaalsContact O-N 3.09Å; T16-F19 PolarHBondContact O-N 2.93Å; T17-F19 PolarHBondContact O-N 2.91Å; F19-Y21 PolarHBondContact O-N 3.27Å; F19-R22 PolarHBondContact O-N 3.02Å; F19-Q23 HydrophobicContact CD1-CG 4.15Å; F19-Q23 HydrophobicContact CE1-CG 3.97Å; F19-Q23 WeakPolarHBondContact O-CG 3.36Å; F19-Q23 PolarHBondContact O-N 2.97Å
20	M	75.5	Confident	71.7	Confident	126 Å²	126	120.8 Å²	120.8	62%	0.621	60%	0.595	S	S	*	*	H	α-helix	trans	-61.6	-42.5	173.4	-75.9	-154.9	76.4	0	0	111.9	T16 R22 Q23 I24	T16-M20 WeakPolarHBondContact O-CB 3.45Å; T16-M20 WeakPolarHBondContact O-CG 3.49Å; T16-M20 PolarHBondContact O-N 3.5Å; M20-R22 VanDerWaalsContact C-N 3.32Å; M20-R22 PolarHBondContact O-N 3.4Å; M20-Q23 PolarHBondContact O-N 3.49Å; M20-I24 WeakPolarHBondContact O-CB 3.47Å; M20-I24 WeakPolarHBondContact O-CD1 3.34Å; M20-I24 VanDerWaalsContact O-CG1 3.25Å; M20-I24 WeakPolarHBondContact O-CG1 3.45Å; M20-I24 PolarHBondContact O-N 2.89Å
21	Y	78.9	Confident	73.5	Confident	164 Å²	164	120.4 Å²	120.4	64%	0.643	59%	0.589	S	S	*	*	H	α-helix	trans	-62.7	-39.7	178.3	-153	-96.9	0	0	0	111.9	T17 R18 F19 I24 L25	T17-Y21 WeakPolarHBondContact O-CB 3.46Å; T17-Y21 PolarHBondContact O-N 3.34Å; R18-Y21 PolarHBondContact O-N 2.99Å; F19-Y21 PolarHBondContact O-N 3.27Å; Y21-I24 PolarHBondContact O-N 3.45Å; Y21-L25 HydrophobicContact CD1-CD1 3.51Å; Y21-L25 HydrophobicContact CE1-CD1 3.52Å; Y21-L25 WeakPolarHBondContact O-CB 3.48Å; Y21-L25 PolarHBondContact O-N 3.3Å
22	R	79.7	Confident	75.4	Confident	191 Å²	191	121.7 Å²	121.7	72%	0.721	59%	0.59	S	S	*	*	H	α-helix	trans	-67.3	-40.2	176.7	-138	-180	-173.7	-160.4	0.7	112.1	R18 F19 M20 L25 I26	R18-R22 WeakPolarHBondContact O-CB 3.49Å; R18-R22 PolarHBondContact O-N 3.32Å; F19-R22 PolarHBondContact O-N 3.02Å; M20-R22 VanDerWaalsContact C-N 3.32Å; M20-R22 PolarHBondContact O-N 3.4Å; R22-L25 PolarHBondContact O-N 3.49Å; R22-I26 VanDerWaalsContact O-CG1 3.3Å; R22-I26 WeakPolarHBondContact O-CG1 3.25Å; R22-I26 PolarHBondContact O-N 3.45Å
23	Q	81.4	Confident	77.2	Confident	112 Å²	112	117 Å²	117	52%	0.523	58%	0.576	S	S	.	*	H	α-helix	trans	-64.7	-42.4	174.5	-74.6	-121.3	-13.2	0	0	111.9	F19 M20 L25 I26 F27	F19-Q23 HydrophobicContact CD1-CG 4.15Å; F19-Q23 HydrophobicContact CE1-CG 3.97Å; F19-Q23 WeakPolarHBondContact O-CG 3.36Å; F19-Q23 PolarHBondContact O-N 2.97Å; M20-Q23 PolarHBondContact O-N 3.49Å; Q23-L25 PolarHBondContact O-N 2.89Å; Q23-I26 PolarHBondContact O-N 3.42Å; Q23-F27 WeakPolarHBondContact O-CB 3.44Å; Q23-F27 PolarHBondContact O-N 3.16Å
24	I	85.6	Confident	79	Confident	87 Å²	87	113.4 Å²	113.4	45%	0.446	57%	0.567	S	S	.	*	H	α-helix	trans	-62.1	-43.3	176.1	-70.2	163.3	0	0	0	110.9	M20 Y21 F27 L28	M20-I24 WeakPolarHBondContact O-CB 3.47Å; M20-I24 WeakPolarHBondContact O-CD1 3.34Å; M20-I24 VanDerWaalsContact O-CG1 3.25Å; M20-I24 WeakPolarHBondContact O-CG1 3.45Å; M20-I24 PolarHBondContact O-N 2.89Å; Y21-I24 PolarHBondContact O-N 3.45Å; I24-F27 PolarHBondContact O-N 2.71Å; I24-L28 HydrophobicContact CG2-CD1 3.77Å; I24-L28 HydrophobicContact CG2-CG 4.39Å; I24-L28 WeakPolarHBondContact O-CB 3.49Å; I24-L28 WeakPolarHBondContact O-CG 3.3Å; I24-L28 PolarHBondContact O-N 3.03Å
25	L	84.8	Confident	80.8	Confident	96 Å²	96	111.4 Å²	111.4	50%	0.503	56%	0.556	S	S	.	*	H	α-helix	trans	-61.8	-42.8	175.7	-101.4	142.2	0	0	0	112.8	Y21 R22 Q23 L28 S29	Y21-L25 HydrophobicContact CD1-CD1 3.51Å; Y21-L25 HydrophobicContact CE1-CD1 3.52Å; Y21-L25 WeakPolarHBondContact O-CB 3.48Å; Y21-L25 PolarHBondContact O-N 3.3Å; R22-L25 PolarHBondContact O-N 3.49Å; Q23-L25 PolarHBondContact O-N 2.89Å; L25-L28 PolarHBondContact O-N 2.85Å; L25-S29 WeakPolarHBondContact O-CB 3.4Å; L25-S29 PolarHBondContact O-N 3.3Å; L25-S29 PolarHBondContact O-OG 3.48Å
26	I	86.4	Confident	82.3	Confident	101 Å²	101	112 Å²	112	52%	0.518	55%	0.552	S	S	.	*	H	α-helix	trans	-63.5	-46.1	175.6	-67.8	166.1	0	0	0	109.7	R22 Q23 L28 S29 V30	R22-I26 VanDerWaalsContact O-CG1 3.3Å; R22-I26 WeakPolarHBondContact O-CG1 3.25Å; R22-I26 PolarHBondContact O-N 3.45Å; Q23-I26 PolarHBondContact O-N 3.42Å; I26-L28 PolarHBondContact O-N 2.93Å; I26-S29 PolarHBondContact O-N 3.47Å; I26-S29 VanDerWaalsContact O-N 3.16Å; I26-S29 PolarHBondContact O-OG 2.93Å; I26-V30 HydrophobicContact CG2-CG2 4.42Å; I26-V30 WeakPolarHBondContact O-CG2 3.41Å; I26-V30 PolarHBondContact O-N 3.43Å
27	F	88.3	Confident	83.6	Confident	153 Å²	153	112.9 Å²	112.9	67%	0.671	55%	0.554	S	S	*	*	H	α-helix	trans	-61.5	-42.7	179.2	-131.2	-86.5	0	0	0	112.1	Q23 I24 V30 L31	Q23-F27 WeakPolarHBondContact O-CB 3.44Å; Q23-F27 PolarHBondContact O-N 3.16Å; I24-F27 PolarHBondContact O-N 2.71Å; F27-V30 PolarHBondContact O-N 2.91Å; F27-L31 WeakPolarHBondContact O-CB 3.34Å; F27-L31 PolarHBondContact O-N 2.93Å
28	L	89.1	Confident	84.6	Confident	102 Å²	102	115 Å²	115	53%	0.534	56%	0.56	S	S	.	*	H	α-helix	trans	-63.8	-39.5	174.8	-76.1	165.9	0	0	0	111.9	I24 L25 I26 L31 L32	I24-L28 HydrophobicContact CG2-CD1 3.77Å; I24-L28 HydrophobicContact CG2-CG 4.39Å; I24-L28 WeakPolarHBondContact O-CB 3.49Å; I24-L28 WeakPolarHBondContact O-CG 3.3Å; I24-L28 PolarHBondContact O-N 3.03Å; L25-L28 PolarHBondContact O-N 2.85Å; I26-L28 PolarHBondContact O-N 2.93Å; L28-L31 PolarHBondContact O-N 3.05Å; L28-L32 WeakPolarHBondContact O-CB 3.38Å; L28-L32 PolarHBondContact O-N 3.42Å
29	S	86.5	Confident	85.2	Confident	62 Å²	62	109.8 Å²	109.8	43%	0.434	55%	0.547	S	S	.	.	H	α-helix	trans	-67	-40.8	177.6	73.7	0	0	0	0	112.3	L25 I26 L32 V33	L25-S29 WeakPolarHBondContact O-CB 3.4Å; L25-S29 PolarHBondContact O-N 3.3Å; L25-S29 PolarHBondContact O-OG 3.48Å; I26-S29 PolarHBondContact O-N 3.47Å; I26-S29 VanDerWaalsContact O-N 3.16Å; I26-S29 PolarHBondContact O-OG 2.93Å; S29-L32 PolarHBondContact O-N 2.88Å; S29-V33 WeakPolarHBondContact O-CG2 3.32Å; S29-V33 PolarHBondContact O-N 3.36Å
30	V	89.8	Confident	85.4	Confident	84 Å²	84	108.2 Å²	108.2	51%	0.509	54%	0.544	S	S	.	.	H	α-helix	trans	-66.5	-42.7	175.3	173.9	0	0	0	0	110.2	I26 F27 L32 V33 V34	I26-V30 HydrophobicContact CG2-CG2 4.42Å; I26-V30 WeakPolarHBondContact O-CG2 3.41Å; I26-V30 PolarHBondContact O-N 3.43Å; F27-V30 PolarHBondContact O-N 2.91Å; V30-L32 VanDerWaalsContact C-N 3.32Å; V30-L32 PolarHBondContact O-N 3.42Å; V30-V33 PolarHBondContact O-N 3.27Å; V30-V34 HydrophobicContact CG1-CG2 4.41Å; V30-V34 WeakPolarHBondContact O-CG2 3.33Å; V30-V34 PolarHBondContact O-N 3.42Å
31	L	90.5	Very high	85.5	Confident	96 Å²	96	107 Å²	107	50%	0.503	54%	0.54	S	S	.	.	H	α-helix	trans	-61.1	-41.2	176.8	-160	86.3	0	0	0	111.4	F27 L28 V34 L35	F27-L31 WeakPolarHBondContact O-CB 3.34Å; F27-L31 PolarHBondContact O-N 2.93Å; L28-L31 PolarHBondContact O-N 3.05Å; L31-V34 PolarHBondContact O-N 3.4Å; L31-L35 HydrophobicContact CD2-CD1 4.41Å; L31-L35 HydrophobicContact CG-CD1 4.33Å; L31-L35 WeakPolarHBondContact O-CB 3.47Å; L31-L35 PolarHBondContact O-N 3.39Å
32	L	89.5	Confident	85.3	Confident	113 Å²	113	102.1 Å²	102.1	59%	0.592	53%	0.53	S	S	*	.	H	α-helix	trans	-63.8	-43.6	176.6	-168.1	80	0	0	0	111.7	L28 S29 V30 L35 L36	L28-L32 WeakPolarHBondContact O-CB 3.38Å; L28-L32 PolarHBondContact O-N 3.42Å; S29-L32 PolarHBondContact O-N 2.88Å; V30-L32 VanDerWaalsContact C-N 3.32Å; V30-L32 PolarHBondContact O-N 3.42Å; L32-L35 PolarHBondContact O-N 2.87Å; L32-L36 HydrophobicContact CG-CD1 4.21Å; L32-L36 WeakPolarHBondContact O-CB 3.39Å; L32-L36 PolarHBondContact O-N 2.89Å
33	V	89.9	Confident	84.7	Confident	85 Å²	85	100.3 Å²	100.3	52%	0.515	53%	0.527	S	S	.	.	H	α-helix	trans	-63.5	-43.3	176.5	171.9	0	0	0	0	110.9	S29 V30 L36 L37	S29-V33 WeakPolarHBondContact O-CG2 3.32Å; S29-V33 PolarHBondContact O-N 3.36Å; V30-V33 PolarHBondContact O-N 3.27Å; V33-L36 PolarHBondContact O-N 3.35Å; V33-L37 HydrophobicContact CG1-CD1 4.32Å; V33-L37 WeakPolarHBondContact O-CB 3.42Å; V33-L37 PolarHBondContact O-N 2.86Å
34	V	90.2	Very high	83.6	Confident	81 Å²	81	102.4 Å²	102.4	49%	0.491	54%	0.535	S	S	.	.	H	α-helix	trans	-64.6	-41.6	176.4	172.7	0	0	0	0	111.2	V30 L31 L37 M38	V30-V34 HydrophobicContact CG1-CG2 4.41Å; V30-V34 WeakPolarHBondContact O-CG2 3.33Å; V30-V34 PolarHBondContact O-N 3.42Å; L31-V34 PolarHBondContact O-N 3.4Å; V34-L37 PolarHBondContact O-N 2.83Å; V34-M38 HydrophobicContact CG1-CG 4.29Å; V34-M38 WeakPolarHBondContact O-CB 3.21Å; V34-M38 WeakPolarHBondContact O-CG 3.39Å; V34-M38 PolarHBondContact O-N 3.31Å
35	L	88.5	Confident	82	Confident	99 Å²	99	106.9 Å²	106.9	52%	0.518	55%	0.546	S	S	.	.	H	α-helix	trans	-63	-42	175	-106.6	141	0	0	0	112.2	L31 L32 M38 L39	L31-L35 HydrophobicContact CD2-CD1 4.41Å; L31-L35 HydrophobicContact CG-CD1 4.33Å; L31-L35 WeakPolarHBondContact O-CB 3.47Å; L31-L35 PolarHBondContact O-N 3.39Å; L32-L35 PolarHBondContact O-N 2.87Å; L35-M38 PolarHBondContact O-N 3.31Å; L35-L39 WeakPolarHBondContact O-CB 3.34Å; L35-L39 WeakPolarHBondContact O-CG 3.23Å; L35-L39 PolarHBondContact O-N 2.88Å
36	L	87.6	Confident	80.2	Confident	95 Å²	95	112.2 Å²	112.2	50%	0.497	56%	0.559	S	S	.	*	H	α-helix	trans	-63.3	-42.3	174.2	-86.8	157	0	0	0	111.7	L32 V33 L39 L40	L32-L36 HydrophobicContact CG-CD1 4.21Å; L32-L36 WeakPolarHBondContact O-CB 3.39Å; L32-L36 PolarHBondContact O-N 2.89Å; V33-L36 PolarHBondContact O-N 3.35Å; L36-L39 PolarHBondContact O-N 3.37Å; L36-L40 WeakPolarHBondContact O-CB 3.39Å; L36-L40 WeakPolarHBondContact O-CG 3.43Å; L36-L40 PolarHBondContact O-N 2.89Å
37	L	85.9	Confident	78.1	Confident	99 Å²	99	115.2 Å²	115.2	52%	0.518	57%	0.565	S	S	.	*	H	α-helix	trans	-65.2	-42.5	175.8	-121.7	113.6	0	0	0	111.6	V33 V34 L39 L40 L41	V33-L37 HydrophobicContact CG1-CD1 4.32Å; V33-L37 WeakPolarHBondContact O-CB 3.42Å; V33-L37 PolarHBondContact O-N 2.86Å; V34-L37 PolarHBondContact O-N 2.83Å; L37-L39 VanDerWaalsContact C-N 3.34Å; L37-L40 PolarHBondContact O-N 3.4Å; L37-L41 HydrophobicContact CD2-CD1 4.29Å; L37-L41 WeakPolarHBondContact O-CB 3.37Å; L37-L41 VanDerWaalsContact O-CG 3.26Å; L37-L41 WeakPolarHBondContact O-CG 3.26Å; L37-L41 PolarHBondContact O-N 2.81Å
38	M	84.7	Confident	76.1	Confident	125 Å²	125	112 Å²	112	62%	0.616	56%	0.561	S	S	*	*	H	α-helix	trans	-65.7	-37.4	176.2	-71.2	-72.3	-89.7	0	0	111.4	V34 L35 S42	V34-M38 HydrophobicContact CG1-CG 4.29Å; V34-M38 WeakPolarHBondContact O-CB 3.21Å; V34-M38 WeakPolarHBondContact O-CG 3.39Å; V34-M38 PolarHBondContact O-N 3.31Å; L35-M38 PolarHBondContact O-N 3.31Å; M38-S42 VanDerWaalsContact O-CB 3.23Å; M38-S42 WeakPolarHBondContact O-CB 3.34Å; M38-S42 PolarHBondContact O-N 2.78Å; M38-S42 PolarHBondContact O-OG 2.79Å
39	L	82.1	Confident	73.8	Confident	98 Å²	98	114.4 Å²	114.4	51%	0.513	57%	0.57	S	S	.	*	H	α-helix	trans	-65.4	-43.2	173.1	-79.9	162.6	0	0	0	111.7	L35 L36 L37 S42 K43	L35-L39 WeakPolarHBondContact O-CB 3.34Å; L35-L39 WeakPolarHBondContact O-CG 3.23Å; L35-L39 PolarHBondContact O-N 2.88Å; L36-L39 PolarHBondContact O-N 3.37Å; L37-L39 VanDerWaalsContact C-N 3.34Å; L39-S42 WeakPolarHBondContact CA-OG 3.49Å; L39-S42 PolarHBondContact O-N 2.83Å; L39-S42 PolarHBondContact O-OG 3.37Å; L39-K43 PolarHBondContact O-N 3.34Å
40	L	78.5	Confident	71.4	Confident	104 Å²	104	119.6 Å²	119.6	55%	0.545	59%	0.585	S	S	.	*	H	α-helix	trans	-62.9	-45.6	174.6	-79.8	161.1	0	0	0	111.9	L36 L37 S42 K43 F44	L36-L40 WeakPolarHBondContact O-CB 3.39Å; L36-L40 WeakPolarHBondContact O-CG 3.43Å; L36-L40 PolarHBondContact O-N 2.89Å; L37-L40 PolarHBondContact O-N 3.4Å; L40-S42 VanDerWaalsContact C-N 3.35Å; L40-K43 PolarHBondContact O-N 2.97Å; L40-F44 PolarHBondContact O-N 2.81Å
41	L	78.1	Confident	68.7	Low	100 Å²	100	120.1 Å²	120.1	52%	0.524	59%	0.592	S	S	.	*	H	α-helix	trans	-66.9	-35.7	176.7	-71.8	170.9	0	0	0	111.7	L37 F44 R45	L37-L41 HydrophobicContact CD2-CD1 4.29Å; L37-L41 WeakPolarHBondContact O-CB 3.37Å; L37-L41 VanDerWaalsContact O-CG 3.26Å; L37-L41 WeakPolarHBondContact O-CG 3.26Å; L37-L41 PolarHBondContact O-N 2.81Å; L41-F44 PolarHBondContact O-N 2.8Å; L41-R45 WeakPolarHBondContact O-CB 3.48Å; L41-R45 PolarHBondContact O-N 3.02Å
42	S	74.3	Confident	66	Low	62 Å²	62	124 Å²	124	43%	0.434	61%	0.608	S	S	.	*	H	α-helix	trans	-68	-37.2	175.6	75.7	0	0	0	0	111.9	M38 L39 L40 R46	M38-S42 VanDerWaalsContact O-CB 3.23Å; M38-S42 WeakPolarHBondContact O-CB 3.34Å; M38-S42 PolarHBondContact O-N 2.78Å; M38-S42 PolarHBondContact O-OG 2.79Å; L39-S42 WeakPolarHBondContact CA-OG 3.49Å; L39-S42 PolarHBondContact O-N 2.83Å; L39-S42 PolarHBondContact O-OG 3.37Å; L40-S42 VanDerWaalsContact C-N 3.35Å; S42-R46 PolarHBondContact O-N 2.74Å
43	K	66.5	Low	63.3	Low	153 Å²	153	129.6 Å²	129.6	67%	0.665	62%	0.623	S	S	*	*	H	α-helix	trans	-66.4	-39.4	170.7	-78.8	-171.6	174.1	-172.3	0	112.1	L39 L40 R46 Y47	L39-K43 PolarHBondContact O-N 3.34Å; L40-K43 PolarHBondContact O-N 2.97Å; K43-R46 PolarHBondContact O-N 3.47Å; K43-Y47 PolarHBondContact O-N 3.03Å; K43-Y47 VanDerWaalsContact O-N 3.14Å
44	F	58.1	Low	60.5	Low	156 Å²	156	130.2 Å²	130.2	68%	0.684	62%	0.623	S	S	*	*	H	α-helix	trans	-66.9	-40.6	175.4	-106.1	-84.6	0	0	0	112.7	L40 L41 R46 Y47 S48	L40-F44 PolarHBondContact O-N 2.81Å; L41-F44 PolarHBondContact O-N 2.8Å; F44-R46 VanDerWaalsContact C-N 3.34Å; F44-Y47 WeakPolarHBondContact O-CA 3.32Å; F44-Y47 WeakPolarHBondContact O-CB 3.23Å; F44-Y47 PolarHBondContact O-N 2.9Å; F44-S48 PolarHBondContact O-N 3.3Å
45	R	52.8	Low	57.8	Low	181 Å²	181	136 Å²	136	68%	0.683	65%	0.645	S	S	*	*	H	α-helix	trans	-68.6	-33.9	178	-162.1	174	-175.3	175.7	2.5	112	L41 Y47 S48	L41-R45 WeakPolarHBondContact O-CB 3.48Å; L41-R45 PolarHBondContact O-N 3.02Å; R45-Y47 PolarHBondContact O-N 2.81Å; R45-S48 PolarHBondContact O-N 3.33Å; R45-S48 PolarHBondContact O-OG 2.85Å
46	R	47.6	Very low	55.2	Low	207 Å²	207	135.4 Å²	135.4	78%	0.781	65%	0.648	S	S	*	*	H	α-helix	trans	-67.2	-25.1	168.8	-110.3	-178.9	-163.5	173.1	5.9	113.4	S42 K43 F44	S42-R46 PolarHBondContact O-N 2.74Å; K43-R46 PolarHBondContact O-N 3.47Å; F44-R46 VanDerWaalsContact C-N 3.34Å
47	Y	42.1	Very low	52.6	Low	165 Å²	165	135.3 Å²	135.3	65%	0.647	65%	0.649	S	S	*	*	H	α-helix	trans	-83.2	-27.5	176.9	-114.7	-88.5	0	0	0	113.1	K43 F44 R45	K43-Y47 PolarHBondContact O-N 3.03Å; K43-Y47 VanDerWaalsContact O-N 3.14Å; F44-Y47 WeakPolarHBondContact O-CA 3.32Å; F44-Y47 WeakPolarHBondContact O-CB 3.23Å; F44-Y47 PolarHBondContact O-N 2.9Å; R45-Y47 PolarHBondContact O-N 2.81Å
48	S	45.2	Very low	50.1	Low	84 Å²	84	134.5 Å²	134.5	59%	0.587	66%	0.656	S	S	*	*	H	α-helix	trans	-80.5	-13.3	179.7	76.8	0	0	0	0	114.3	F44 R45	F44-S48 PolarHBondContact O-N 3.3Å; R45-S48 PolarHBondContact O-N 3.33Å; R45-S48 PolarHBondContact O-OG 2.85Å
49	E	42.6	Very low	47.7	Very low	153 Å²	153	135.4 Å²	135.4	72%	0.715	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.4	-3	176.1	-77.4	177.2	179.1	0	0	113.5
50	F	34.9	Very low	45.6	Very low	171 Å²	171	140.1 Å²	140.1	75%	0.75	67%	0.665	S	S	*	*			trans	-102.5	70.8	168.7	-91.9	-92.6	0	0	0	109.7
51	S	33.3	Very low	43.4	Very low	95 Å²	95	141.1 Å²	141.1	66%	0.664	67%	0.67	S	S	*	*			trans	-140.6	74.8	174.8	168.1	0	0	0	0	109.2
52	E	34.7	Very low	41.4	Very low	177 Å²	177	145 Å²	145	83%	0.827	68%	0.678	S	S	*	*	S	Bend	trans	162.2	125.6	156.1	-97.9	172.3	166	0	0	105
53	Y	31.7	Very low	39.5	Very low	232 Å²	232	148.7 Å²	148.7	91%	0.91	69%	0.686	S	S	*	*			trans	67.3	80.6	-179.3	-75	-97	0	0	0	117.6
54	D	31.7	Very low	37.9	Very low	97 Å²	97	148.4 Å²	148.4	52%	0.519	69%	0.691	S	S	.	*			trans	-162.4	84.8	136.7	-145	-9.3	0	0	0	113.1	S56 N57	D54-S56 VanDerWaalsContact C-N 3.29Å; D54-S56 PolarHBondContact O-N 2.9Å; D54-S56 VanDerWaalsContact O-N 3.11Å; D54-S56 PolarHBondContact OD1-OG 3.32Å; D54-N57 PolarHBondContact OD2-ND2 3.22Å
55	H	32.8	Very low	36.7	Very low	204 Å²	204	147 Å²	147	94%	0.944	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.9	76.3	163.7	-81	-75.1	0	0	0	109.2
56	S	34.8	Very low	35.6	Very low	85 Å²	85	145.9 Å²	145.9	59%	0.594	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-167.2	-4.6	165.8	61.5	0	0	0	0	118.5	D54	D54-S56 VanDerWaalsContact C-N 3.29Å; D54-S56 PolarHBondContact O-N 2.9Å; D54-S56 VanDerWaalsContact O-N 3.11Å; D54-S56 PolarHBondContact OD1-OG 3.32Å
57	N	32.1	Very low	34.7	Very low	94 Å²	94	143 Å²	143	50%	0.503	70%	0.701	S	S	.	*			trans	-116.5	60.2	-165.3	-78.3	-44.8	0	0	0	115.8	D54 Y59	D54-N57 PolarHBondContact OD2-ND2 3.22Å; N57-Y59 VanDerWaalsContact C-N 3.25Å
58	A	34.1	Very low	34.1	Very low	81 Å²	81	140.4 Å²	140.4	67%	0.669	71%	0.707	S	S	*	*			trans	-79	-4.8	165.4	0	0	0	0	0	113.6	W60	A58-W60 PolarHBondContact O-N 2.92Å
59	Y	35	Very low	33.6	Very low	145 Å²	145	142 Å²	142	57%	0.569	72%	0.715	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82	-11.1	-167.2	-137.6	-94.1	0	0	0	115.5	N57	N57-Y59 VanDerWaalsContact C-N 3.25Å
60	W	36.3	Very low	33.3	Very low	197 Å²	197	140.6 Å²	140.6	75%	0.746	72%	0.717	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.2	-6	-168.5	-68.3	103.8	0	0	0	116.1	A58	A58-W60 PolarHBondContact O-N 2.92Å
61	L	33.7	Very low	33.2	Very low	124 Å²	124	140.1 Å²	140.1	65%	0.649	72%	0.722	S	S	*	*	S	Bend	trans	-98.5	-6.2	-176.8	-95.6	138.8	0	0	0	115.4
62	W	34.5	Very low	33.1	Very low	183 Å²	183	141.3 Å²	141.3	69%	0.693	73%	0.731	S	S	*	*	S	Bend	trans	-91.7	3.1	-172.5	-80.1	72.5	0	0	0	115.6	F88	W62-F88 HydrophobicContact CH2-CD2 4.13Å; W62-F88 HydrophobicContact CH2-CE2 4.41Å; W62-F88 AromaticContact CZ3-CD2 3.86Å; W62-F88 HydrophobicContact CZ3-CD2 3.86Å; W62-F88 HydrophobicContact CZ3-CE2 4.34Å
63	K	35	Very low	32.8	Very low	139 Å²	139	139.5 Å²	139.5	60%	0.604	73%	0.726	S	S	*	*	S	Bend	trans	-94.7	-16.6	-173.1	-113.8	177.8	177.2	177.4	0	115.8
64	D	33.5	Very low	32.7	Very low	146 Å²	146	139.5 Å²	139.5	78%	0.781	73%	0.725	S	S	*	*	S	Bend	trans	-121.9	14.9	-158.3	-68.3	-21.1	0	0	0	117.1
65	V	33.2	Very low	32.6	Very low	127 Å²	127	143.4 Å²	143.4	77%	0.77	75%	0.745	S	S	*	*	S	Bend	trans	-119.1	-12.8	-171.9	-178.1	0	0	0	0	117
66	I	30.1	Very low	32.3	Very low	157 Å²	157	141.3 Å²	141.3	81%	0.805	74%	0.735	S	S	*	*			trans	-140.9	74.8	-179.1	-48.1	-180	0	0	0	112.5
67	L	27.7	Very low	32.1	Very low	147 Å²	147	142.2 Å²	142.2	77%	0.77	74%	0.739	S	S	*	*			trans	-144.9	101.8	161.8	-74.4	177.5	0	0	0	110.6
68	S	30.4	Very low	31.9	Very low	111 Å²	111	144 Å²	144	78%	0.776	75%	0.753	S	S	*	*			trans	-146.3	107.8	161.3	162.3	0	0	0	0	108.1
69	P	33.5	Very low	31.5	Very low	118 Å²	118	147.5 Å²	147.5	77%	0.766	76%	0.755	S	S	*	*			trans	-106.3	120.2	169.4	32	-19.7	0	0	0	110.8
70	T	37	Very low	31.2	Very low	123 Å²	123	144.8 Å²	144.8	76%	0.755	75%	0.75	S	S	*	*			trans	-140.7	109.4	158.6	53.2	0	0	0	0	109.8
71	D	31.4	Very low	30.8	Very low	160 Å²	160	143.9 Å²	143.9	86%	0.856	75%	0.754	S	S	*	*			trans	31	117.1	143.6	-59.5	-27	0	0	0	121.1
72	S	32.8	Very low	30.6	Very low	121 Å²	121	143.6 Å²	143.6	85%	0.846	75%	0.749	S	S	*	*				-166.3	114.6	129	47.2	0	0	0	0	110.6
73	L	28	Very low	30.6	Very low	139 Å²	139	138.6 Å²	138.6	73%	0.728	74%	0.74	S	S	*	*			trans	-59.7	161.3	168.1	-108.1	78.4	0	0	0	111.7
74	W	28.6	Very low	30.4	Very low	232 Å²	232	140.7 Å²	140.7	88%	0.879	75%	0.75	S	S	*	*			trans	104.4	117.9	163.6	-52.2	105.8	0	0	0	116.4
75	L	31.1	Very low	30.2	Very low	178 Å²	178	140 Å²	140	93%	0.932	75%	0.746	S	S	*	*			trans	100.7	88.3	172.3	-56.9	167.5	0	0	0	116.6
76	E	26.3	Very low	30.2	Very low	161 Å²	161	137.2 Å²	137.2	75%	0.752	73%	0.726	S	S	*	*			trans	-75.9	161.5	145.1	-86.4	-175.6	179.1	0	0	109.8
77	P	30.7	Very low	30.3	Very low	103 Å²	103	138.5 Å²	138.5	67%	0.669	72%	0.721	S	S	*	*			cis	-139.8	135.3	-3.9	30.9	-9.1	0	0	0	115
78	V	27.1	Very low	30.5	Very low	133 Å²	133	135.3 Å²	135.3	81%	0.806	70%	0.701	S	S	*	*				-144.2	104.2	128.8	178.4	0	0	0	0	105.3	L80	V78-L80 VanDerWaalsContact C-N 3.25Å; V78-L80 PolarHBondContact O-N 2.87Å
79	H	25.5	Very low	30.5	Very low	154 Å²	154	133.6 Å²	133.6	71%	0.713	69%	0.686	S	S	*	*			trans	-67.9	83.2	175.2	-92	-65.2	0	0	0	110.3
80	L	28.6	Very low	30.6	Very low	88 Å²	88	132.8 Å²	132.8	46%	0.461	67%	0.674	S	S	.	*			trans	-81.1	102.6	145.1	-80.5	161.4	0	0	0	105.4	V78 H82	V78-L80 VanDerWaalsContact C-N 3.25Å; V78-L80 PolarHBondContact O-N 2.87Å; L80-H82 PolarHBondContact O-N 3.42Å
81	Q	27.8	Very low	30.3	Very low	177 Å²	177	132.8 Å²	132.8	83%	0.827	67%	0.669	S	S	*	*			trans	-62.3	86.8	168.9	-79.8	-179	-22.6	0	0	108.2	P83	Q81-P83 VanDerWaalsContact O-CD 3.23Å; Q81-P83 WeakPolarHBondContact O-CD 3.28Å
82	H	30.4	Very low	30.4	Very low	119 Å²	119	135 Å²	135	55%	0.551	67%	0.671	S	S	*	*			trans	-62.7	115.9	159.9	-75.4	-61.3	0	0	0	107	L80 K84	L80-H82 PolarHBondContact O-N 3.42Å; H82-K84 PolarHBondContact O-N 3.4Å
83	P	33.8	Very low	30.4	Very low	77 Å²	77	131.9 Å²	131.9	50%	0.5	65%	0.649	S	S	.	*			trans	-74.2	89.4	171.3	7.9	8.6	0	0	0	106.8	Q81 N85 I86	Q81-P83 VanDerWaalsContact O-CD 3.23Å; Q81-P83 WeakPolarHBondContact O-CD 3.28Å; P83-N85 PolarHBondContact O-N 3.17Å; P83-I86 HydrophobicContact CB-CD1 3.57Å; P83-I86 HydrophobicContact CB-CG1 3.95Å; P83-I86 HydrophobicContact CG-CD1 3.74Å
84	K	30	Very low	31	Very low	184 Å²	184	129.8 Å²	129.8	80%	0.8	65%	0.646	S	S	*	*	S	Bend	trans	-67.3	116.5	158	-67.8	-176.9	180	179.9	0	105.5	H82	H82-K84 PolarHBondContact O-N 3.4Å
85	N	30.4	Very low	31.6	Very low	131 Å²	131	126.6 Å²	126.6	70%	0.701	64%	0.641	S	S	*	*			trans	91.3	82.6	-176.2	-49.2	-37.5	0	0	0	115.6	P83	P83-N85 PolarHBondContact O-N 3.17Å
86	I	33.2	Very low	32.4	Very low	69 Å²	69	119.5 Å²	119.5	35%	0.354	61%	0.605	S	S	.	*			trans	-118.4	105.4	157.4	-67.3	170.1	0	0	0	108.3	P83	P83-I86 HydrophobicContact CB-CD1 3.57Å; P83-I86 HydrophobicContact CB-CG1 3.95Å; P83-I86 HydrophobicContact CG-CD1 3.74Å
87	R	31.3	Very low	33.5	Very low	184 Å²	184	113 Å²	113	69%	0.694	58%	0.578	S	S	*	*			trans	-71.8	120.9	157.4	-86.2	-177.4	176.9	165.4	5.7	107.1	V89	R87-V89 HydrophobicContact CB-CG2 4.23Å; R87-V89 PolarHBondContact O-N 3.35Å
88	F	31.8	Very low	34.4	Very low	79 Å²	79	108.6 Å²	108.6	35%	0.346	55%	0.551	S	S	.	*			trans	-67.7	90.3	158.6	-82	-87.6	0	0	0	107.9	W62 I90	W62-F88 HydrophobicContact CH2-CD2 4.13Å; W62-F88 HydrophobicContact CH2-CE2 4.41Å; W62-F88 AromaticContact CZ3-CD2 3.86Å; W62-F88 HydrophobicContact CZ3-CD2 3.86Å; W62-F88 HydrophobicContact CZ3-CE2 4.34Å; F88-I90 VanDerWaalsContact C-N 3.33Å; F88-I90 PolarHBondContact O-N 3.34Å
89	V	32	Very low	35.6	Very low	76 Å²	76	106.5 Å²	106.5	46%	0.461	54%	0.54	S	S	.	.			trans	-78.7	95.8	160.5	-174	0	0	0	0	105.1	R87 N91	R87-V89 HydrophobicContact CB-CG2 4.23Å; R87-V89 PolarHBondContact O-N 3.35Å; V89-N91 HydrophobicContact CG1-CB 4.44Å; V89-N91 WeakPolarHBondContact CG1-OD1 3.37Å; V89-N91 PolarHBondContact O-N 3.27Å
90	I	34.3	Very low	37	Very low	101 Å²	101	101 Å²	101	52%	0.518	52%	0.515	S	S	.	.			trans	-67	79.9	159.8	-54.8	174.7	0	0	0	105.2	F88 K92	F88-I90 VanDerWaalsContact C-N 3.33Å; F88-I90 PolarHBondContact O-N 3.34Å; I90-K92 PolarHBondContact O-N 3.01Å
91	N	31.6	Very low	38.2	Very low	122 Å²	122	97.5 Å²	97.5	65%	0.652	50%	0.499	S	S	*	.			trans	-64.3	118.4	160.2	-85.8	-18	0	0	0	104.4	V89 S93	V89-N91 HydrophobicContact CG1-CB 4.44Å; V89-N91 WeakPolarHBondContact CG1-OD1 3.37Å; V89-N91 PolarHBondContact O-N 3.27Å; N91-S93 PolarHBondContact O-N 3.31Å
92	K	32.7	Very low	39.3	Very low	206 Å²	206	94.7 Å²	94.7	90%	0.896	48%	0.481	S	S	*	.			trans	-59.9	76.4	157.6	-85.4	-177.7	171.3	179.8	0	107.2	I90 S94	I90-K92 PolarHBondContact O-N 3.01Å; K92-S94 PolarHBondContact O-N 3.27Å
93	S	34	Very low	40.5	Very low	56 Å²	56	95.1 Å²	95.1	39%	0.392	49%	0.487	S	S	.	.			trans	-67.5	113.8	162	46	0	0	0	0	105.7	N91 E95 T96	N91-S93 PolarHBondContact O-N 3.31Å; S93-E95 PolarHBondContact O-N 3.19Å; S93-T96 PolarHBondContact O-OG1 3.22Å; S93-T96 WeakPolarHBondContact OG-CG2 3.24Å
94	S	39.9	Very low	41.6	Very low	95 Å²	95	93.4 Å²	93.4	66%	0.664	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	34.6	175.8	66.6	0	0	0	0	112.5	K92 Y102	K92-S94 PolarHBondContact O-N 3.27Å; S94-Y102 WeakPolarHBondContact O-CE1 3.33Å; S94-Y102 PolarHBondContact O-OH 3.4Å
95	E	42.1	Very low	43	Very low	165 Å²	165	89 Å²	89	77%	0.771	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-130.9	9.5	-174.9	-72.7	-172.1	167	0	0	113.7	S93 Y102	S93-E95 PolarHBondContact O-N 3.19Å; E95-Y102 WeakPolarHBondContact CA-OH 3.33Å; E95-Y102 PolarHBondContact N-OH 3.49Å
96	T	47.3	Very low	44.7	Very low	30 Å²	30	84.5 Å²	84.5	18%	0.184	44%	0.438	C	S	.	.			trans	-99	-4.5	-161.1	50.2	0	0	0	0	117.4	S93 Y102 G196	S93-T96 PolarHBondContact O-OG1 3.22Å; S93-T96 WeakPolarHBondContact OG-CG2 3.24Å; T96-Y102 PolarHBondContact N-OH 3.45Å; T96-G196 WeakPolarHBondContact CG2-O 3.39Å
97	S	49.2	Very low	46.5	Very low	25 Å²	25	86.8 Å²	86.8	18%	0.175	46%	0.46	C	S	.	.	S	Bend	trans	-116.2	139	175.8	42.9	0	0	0	0	108.2	S101 Y102	S97-S101 VanDerWaalsContact C-OG 3.25Å; S97-S101 WeakPolarHBondContact CB-OG 3.5Å; S97-S101 PolarHBondContact O-OG 2.95Å; S97-S101 VanDerWaalsContact O-OG 3.05Å; S97-S101 WeakPolarHBondContact OG-CB 3.36Å; S97-S101 PolarHBondContact OG-OG 3.44Å; S97-Y102 WeakPolarHBondContact O-CE2 3.37Å
98	G	48.8	Very low	49.1	Very low	10 Å²	10	80.4 Å²	80.4	10%	0.103	44%	0.443	C	S	.	.			trans	-51.2	165.3	-172.5	0	0	0	0	0	112.6	L100 S101	G98-L100 PolarHBondContact O-N 3.04Å; G98-S101 PolarHBondContact O-N 3.14Å; G98-S101 PolarHBondContact O-OG 3.05Å
99	P	52.5	Low	51.9	Low	88 Å²	88	79.9 Å²	79.9	57%	0.571	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.7	-25	-162.7	13.1	-28.7	0	0	0	116.1
100	L	54.7	Low	54.6	Low	39 Å²	39	79 Å²	79	20%	0.204	44%	0.441	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-18.8	179.4	-137.5	84	0	0	0	115.9	G98 Y102 L103 L104 Y115 H118	G98-L100 PolarHBondContact O-N 3.04Å; L100-Y102 VanDerWaalsContact C-N 3.25Å; L100-Y102 PolarHBondContact O-N 3.49Å; L100-L103 PolarHBondContact O-N 2.75Å; L100-L103 VanDerWaalsContact O-N 3.09Å; L100-L104 HydrophobicContact CD2-CD1 3.94Å; L100-Y115 HydrophobicContact CB-CD2 4.36Å; L100-H118 HydrophobicContact CD2-CB 4.04Å
101	S	53.6	Low	57.3	Low	15 Å²	15	75.9 Å²	75.9	11%	0.105	43%	0.425	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-26.2	-172.2	59.7	0	0	0	0	115.1	S97 G98 L103	S97-S101 VanDerWaalsContact C-OG 3.25Å; S97-S101 WeakPolarHBondContact CB-OG 3.5Å; S97-S101 PolarHBondContact O-OG 2.95Å; S97-S101 VanDerWaalsContact O-OG 3.05Å; S97-S101 WeakPolarHBondContact OG-CB 3.36Å; S97-S101 PolarHBondContact OG-OG 3.44Å; G98-S101 PolarHBondContact O-N 3.14Å; G98-S101 PolarHBondContact O-OG 3.05Å; S101-L103 PolarHBondContact O-N 2.8Å
102	Y	51.7	Low	60.2	Low	118 Å²	118	70.5 Å²	70.5	46%	0.463	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-11.1	178.6	-58.3	-74.6	0	0	0	112.4	S94 E95 T96 S97 L100	S94-Y102 WeakPolarHBondContact O-CE1 3.33Å; S94-Y102 PolarHBondContact O-OH 3.4Å; E95-Y102 WeakPolarHBondContact CA-OH 3.33Å; E95-Y102 PolarHBondContact N-OH 3.49Å; T96-Y102 PolarHBondContact N-OH 3.45Å; S97-Y102 WeakPolarHBondContact O-CE2 3.37Å; L100-Y102 VanDerWaalsContact C-N 3.25Å; L100-Y102 PolarHBondContact O-N 3.49Å
103	L	54.7	Low	63	Low	127 Å²	127	62.7 Å²	62.7	67%	0.665	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.4	-17.4	-167	-63.2	174.9	0	0	0	113.9	L100 S101	L100-L103 PolarHBondContact O-N 2.75Å; L100-L103 VanDerWaalsContact O-N 3.09Å; S101-L103 PolarHBondContact O-N 2.8Å
104	L	56.9	Low	65.8	Low	41 Å²	41	65 Å²	65	22%	0.215	37%	0.366	C	S	.	.			trans	-131.1	121.8	-174	-64.8	175.4	0	0	0	111.7	L100 F106 N111	L100-L104 HydrophobicContact CD2-CD1 3.94Å; L104-F106 HydrophobicContact CB-CD1 4.46Å; L104-F106 HydrophobicContact CB-CE1 3.92Å; L104-F106 HydrophobicContact CB-CZ 4.43Å; L104-F106 PolarHBondContact O-N 3.45Å; L104-F106 VanDerWaalsContact O-N 3.15Å; L104-N111 HydrophobicContact CB-CB 4.25Å; L104-N111 HydrophobicContact CD1-CB 4.46Å
105	P	59.9	Low	68.2	Low	91 Å²	91	60.6 Å²	60.6	59%	0.591	33%	0.334	S	S	*	.			trans	-67.5	113.5	166.1	25.5	-28.8	0	0	0	108.9	S107 N111	P105-S107 PolarHBondContact O-N 3.19Å; P105-N111 PolarHBondContact O-ND2 2.85Å
106	F	67.6	Low	70.7	Confident	38 Å²	38	52.9 Å²	52.9	17%	0.167	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	8.8	-177	-61.3	-55.9	0	0	0	115.1	L104 S108 Y115 Y187	L104-F106 HydrophobicContact CB-CD1 4.46Å; L104-F106 HydrophobicContact CB-CE1 3.92Å; L104-F106 HydrophobicContact CB-CZ 4.43Å; L104-F106 PolarHBondContact O-N 3.45Å; L104-F106 VanDerWaalsContact O-N 3.15Å; F106-S108 PolarHBondContact O-N 3.1Å; F106-Y115 HydrophobicContact CD1-CG 4.46Å; F106-Y115 VanDerWaalsContact CE1-CB 3.44Å; F106-Y115 HydrophobicContact CE1-CD1 4.38Å; F106-Y115 AromaticContact CE1-CD2 3.74Å; F106-Y115 HydrophobicContact CE1-CD2 3.74Å; F106-Y115 AromaticContact CE1-CG 3.59Å; F106-Y115 HydrophobicContact CE1-CG 3.59Å; F106-Y115 HydrophobicContact CE2-CD2 4.44Å; F106-Y115 HydrophobicContact CZ-CD1 4.46Å; F106-Y115 AromaticContact CZ-CD2 3.42Å; F106-Y115 HydrophobicContact CZ-CD2 3.42Å; F106-Y115 VanDerWaalsContact CZ-CD2 3.42Å; F106-Y115 AromaticContact CZ-CE2 3.92Å; F106-Y115 HydrophobicContact CZ-CE2 3.92Å; F106-Y115 AromaticContact CZ-CG 3.72Å; F106-Y115 HydrophobicContact CZ-CG 3.72Å; F106-Y187 HydrophobicContact CB-CE1 4.26Å; F106-Y187 AromaticContact CD2-CE1 3.79Å; F106-Y187 HydrophobicContact CD2-CE1 3.79Å; F106-Y187 HydrophobicContact CD2-CE2 4.27Å; F106-Y187 AromaticContact CD2-CZ 3.46Å; F106-Y187 VanDerWaalsContact CD2-CZ 3.46Å; F106-Y187 WeakPolarHBondContact CD2-OH 3.41Å; F106-Y187 HydrophobicContact CE2-CE2 4.32Å; F106-Y187 AromaticContact CE2-CZ 3.76Å; F106-Y187 WeakPolarHBondContact CE2-OH 3.44Å; F106-Y187 HydrophobicContact CG-CE1 4.19Å
107	S	70.2	Confident	72.8	Confident	117 Å²	117	54 Å²	54	82%	0.818	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-25.3	172.4	61.3	0	0	0	0	113.8	P105	P105-S107 PolarHBondContact O-N 3.19Å
108	S	85.5	Confident	74.8	Confident	50 Å²	50	55.1 Å²	55.1	35%	0.35	31%	0.31	S	S	.	.	S	Bend	trans	-96.9	131.4	176.2	174.6	0	0	0	0	111.4	F106 S110 N111 L112	F106-S108 PolarHBondContact O-N 3.1Å; S108-S110 PolarHBondContact O-N 2.91Å; S108-S110 PolarHBondContact OG-N 3.34Å; S108-N111 WeakPolarHBondContact O-CB 3.12Å; S108-N111 PolarHBondContact O-N 3.32Å; S108-L112 PolarHBondContact O-N 2.92Å
109	I	90	Very high	77	Confident	68 Å²	68	55.1 Å²	55.1	35%	0.349	31%	0.307	S	S	.	.	H	α-helix	trans	-53.4	-36.4	172.7	-66.5	166.6	0	0	0	111.3	L112 R113 I214 P216	I109-L112 PolarHBondContact O-N 3.03Å; I109-R113 HydrophobicContact CG2-CG 4.31Å; I109-R113 WeakPolarHBondContact O-CB 3.15Å; I109-R113 VanDerWaalsContact O-CG 3.27Å; I109-R113 WeakPolarHBondContact O-CG 3.35Å; I109-R113 PolarHBondContact O-N 2.96Å; I109-I214 WeakPolarHBondContact CG2-O 3.42Å; I109-P216 HydrophobicContact CD1-CG 3.58Å
110	S	89.8	Confident	79	Confident	58 Å²	58	51.2 Å²	51.2	41%	0.406	28%	0.282	S	S	.	.	H	α-helix	trans	-63.8	-43.5	178	-174.9	0	0	0	0	112	S108 L112 R113 Q114	S108-S110 PolarHBondContact O-N 2.91Å; S108-S110 PolarHBondContact OG-N 3.34Å; S110-L112 VanDerWaalsContact C-N 3.33Å; S110-R113 PolarHBondContact O-N 3.42Å; S110-Q114 WeakPolarHBondContact O-CG 3.46Å; S110-Q114 PolarHBondContact O-N 3.21Å; S110-Q114 VanDerWaalsContact O-N 3.08Å
111	N	90.7	Very high	80.8	Confident	34 Å²	34	54 Å²	54	18%	0.182	30%	0.295	C	S	.	.	H	α-helix	trans	-66.1	-40.4	178	-69.3	-7.5	0	0	0	110.6	L104 P105 S108 Q114 Y115	L104-N111 HydrophobicContact CB-CB 4.25Å; L104-N111 HydrophobicContact CD1-CB 4.46Å; P105-N111 PolarHBondContact O-ND2 2.85Å; S108-N111 WeakPolarHBondContact O-CB 3.12Å; S108-N111 PolarHBondContact O-N 3.32Å; N111-Q114 PolarHBondContact O-N 2.88Å; N111-Y115 WeakPolarHBondContact O-CB 3.4Å; N111-Y115 PolarHBondContact O-N 3.15Å
112	L	92.4	Very high	82.6	Confident	9 Å²	9	56.2 Å²	56.2	5%	0.047	31%	0.307	C	S	.	.	H	α-helix	trans	-64.8	-43	177.8	-177.5	56.7	0	0	0	112	S108 I109 S110 Q114 Y115 I116 Y187 Q213 I214	S108-L112 PolarHBondContact O-N 2.92Å; I109-L112 PolarHBondContact O-N 3.03Å; S110-L112 VanDerWaalsContact C-N 3.33Å; L112-Q114 PolarHBondContact O-N 3.11Å; L112-Y115 HydrophobicContact CD1-CD1 4.38Å; L112-Y115 PolarHBondContact O-N 3.18Å; L112-I116 HydrophobicContact CD1-CD1 4.18Å; L112-I116 HydrophobicContact CD1-CG1 4.29Å; L112-I116 HydrophobicContact CG-CD1 4.12Å; L112-I116 WeakPolarHBondContact O-CG1 3.31Å; L112-I116 PolarHBondContact O-N 2.67Å; L112-Y187 HydrophobicContact CD1-CD1 4.24Å; L112-Y187 HydrophobicContact CD1-CD2 3.75Å; L112-Y187 HydrophobicContact CD1-CE2 4.5Å; L112-Y187 HydrophobicContact CD1-CG 3.6Å; L112-Q213 HydrophobicContact CD2-CG 4.09Å; L112-I214 HydrophobicContact CB-CG2 4.26Å; L112-I214 HydrophobicContact CD2-CG2 3.63Å; L112-I214 HydrophobicContact CG-CG2 3.66Å
113	R	92.4	Very high	84.7	Confident	42 Å²	42	51.4 Å²	51.4	16%	0.158	29%	0.289	C	S	.	.	H	α-helix	trans	-59	-46	174.1	-74.3	166.5	174.9	172.3	0.9	112.2	I109 S110 Y115 I116 S117 I214	I109-R113 HydrophobicContact CG2-CG 4.31Å; I109-R113 WeakPolarHBondContact O-CB 3.15Å; I109-R113 VanDerWaalsContact O-CG 3.27Å; I109-R113 WeakPolarHBondContact O-CG 3.35Å; I109-R113 PolarHBondContact O-N 2.96Å; S110-R113 PolarHBondContact O-N 3.42Å; R113-Y115 VanDerWaalsContact C-N 3.33Å; R113-Y115 PolarHBondContact O-N 3.43Å; R113-I116 PolarHBondContact O-N 3.05Å; R113-S117 WeakPolarHBondContact O-CB 3.49Å; R113-S117 PolarHBondContact O-N 3.34Å; R113-I214 HydrophobicContact CG-CB 3.87Å; R113-I214 HydrophobicContact CG-CD1 4.42Å; R113-I214 HydrophobicContact CG-CG2 4.05Å; R113-I214 PolarHBondContact NE-O 3.22Å; R113-I214 PolarHBondContact NH2-O 3.35Å
114	Q	91.3	Very high	86.5	Confident	105 Å²	105	51.1 Å²	51.1	49%	0.491	28%	0.28	S	S	.	.	H	α-helix	trans	-61.9	-42.3	177.1	-73.9	176.9	-0.6	0	0	111.8	S110 N111 L112 H118	S110-Q114 WeakPolarHBondContact O-CG 3.46Å; S110-Q114 PolarHBondContact O-N 3.21Å; S110-Q114 VanDerWaalsContact O-N 3.08Å; N111-Q114 PolarHBondContact O-N 2.88Å; L112-Q114 PolarHBondContact O-N 3.11Å; Q114-H118 VanDerWaalsContact O-CB 3.28Å; Q114-H118 WeakPolarHBondContact O-CB 3.32Å; Q114-H118 PolarHBondContact O-N 3.43Å
115	Y	91.8	Very high	88.4	Confident	2 Å²	2	49.4 Å²	49.4	1%	0.008	27%	0.272	C	S	.	.	H	α-helix	trans	-61.7	-49.2	175.5	171.8	-94.7	0	0	0	112.5	L100 F106 N111 L112 R113 S117 H118 I119 Y187 F207	L100-Y115 HydrophobicContact CB-CD2 4.36Å; F106-Y115 HydrophobicContact CD1-CG 4.46Å; F106-Y115 VanDerWaalsContact CE1-CB 3.44Å; F106-Y115 HydrophobicContact CE1-CD1 4.38Å; F106-Y115 AromaticContact CE1-CD2 3.74Å; F106-Y115 HydrophobicContact CE1-CD2 3.74Å; F106-Y115 AromaticContact CE1-CG 3.59Å; F106-Y115 HydrophobicContact CE1-CG 3.59Å; F106-Y115 HydrophobicContact CE2-CD2 4.44Å; F106-Y115 HydrophobicContact CZ-CD1 4.46Å; F106-Y115 AromaticContact CZ-CD2 3.42Å; F106-Y115 HydrophobicContact CZ-CD2 3.42Å; F106-Y115 VanDerWaalsContact CZ-CD2 3.42Å; F106-Y115 AromaticContact CZ-CE2 3.92Å; F106-Y115 HydrophobicContact CZ-CE2 3.92Å; F106-Y115 AromaticContact CZ-CG 3.72Å; F106-Y115 HydrophobicContact CZ-CG 3.72Å; N111-Y115 WeakPolarHBondContact O-CB 3.4Å; N111-Y115 PolarHBondContact O-N 3.15Å; L112-Y115 HydrophobicContact CD1-CD1 4.38Å; L112-Y115 PolarHBondContact O-N 3.18Å; R113-Y115 VanDerWaalsContact C-N 3.33Å; R113-Y115 PolarHBondContact O-N 3.43Å; Y115-S117 VanDerWaalsContact C-N 3.35Å; Y115-S117 PolarHBondContact O-N 3.31Å; Y115-H118 PolarHBondContact O-N 3.3Å; Y115-I119 HydrophobicContact CD1-CG1 4.25Å; Y115-I119 HydrophobicContact CD2-CD1 4.49Å; Y115-I119 HydrophobicContact CD2-CG1 3.93Å; Y115-I119 HydrophobicContact CE1-CG1 3.84Å; Y115-I119 HydrophobicContact CE2-CD1 3.82Å; Y115-I119 HydrophobicContact CE2-CG1 3.52Å; Y115-I119 HydrophobicContact CG-CG1 4.29Å; Y115-I119 VanDerWaalsContact CZ-CG1 3.47Å; Y115-I119 WeakPolarHBondContact O-CB 3.22Å; Y115-I119 WeakPolarHBondContact O-CG1 3.48Å; Y115-I119 PolarHBondContact O-N 2.84Å; Y115-Y187 HydrophobicContact CD1-CD2 4.11Å; Y115-Y187 AromaticContact CD1-CE2 3.95Å; Y115-Y187 HydrophobicContact CD1-CE2 3.95Å; Y115-Y187 AromaticContact CE1-CD2 3.72Å; Y115-Y187 HydrophobicContact CE1-CD2 3.72Å; Y115-Y187 AromaticContact CE1-CE2 3.4Å; Y115-Y187 HydrophobicContact CE1-CE2 3.4Å; Y115-Y187 VanDerWaalsContact CE1-CE2 3.4Å; Y115-Y187 AromaticContact CZ-CE2 3.84Å; Y115-F207 HydrophobicContact CE1-CD2 4.39Å; Y115-F207 AromaticContact CE1-CE2 3.91Å; Y115-F207 HydrophobicContact CE1-CE2 3.91Å; Y115-F207 HydrophobicContact CE1-CZ 4.02Å
116	I	92.9	Very high	90.2	Very high	4 Å²	4	46.3 Å²	46.3	2%	0.021	25%	0.249	C	C	.	.	H	α-helix	trans	-58.2	-48.4	178.4	-73.9	175.8	0	0	0	110.6	L112 R113 H118 I119 N120 F207 P209 I214	L112-I116 HydrophobicContact CD1-CD1 4.18Å; L112-I116 HydrophobicContact CD1-CG1 4.29Å; L112-I116 HydrophobicContact CG-CD1 4.12Å; L112-I116 WeakPolarHBondContact O-CG1 3.31Å; L112-I116 PolarHBondContact O-N 2.67Å; R113-I116 PolarHBondContact O-N 3.05Å; I116-H118 VanDerWaalsContact C-N 3.33Å; I116-H118 PolarHBondContact O-N 3.43Å; I116-I119 PolarHBondContact O-N 2.96Å; I116-N120 WeakPolarHBondContact O-CB 3.36Å; I116-N120 PolarHBondContact O-N 2.76Å; I116-F207 HydrophobicContact CB-CB 4.15Å; I116-F207 HydrophobicContact CD1-CB 4.15Å; I116-F207 HydrophobicContact CG1-CB 3.69Å; I116-F207 HydrophobicContact CG1-CD1 4.3Å; I116-F207 HydrophobicContact CG1-CG 4.03Å; I116-F207 HydrophobicContact CG2-CB 3.75Å; I116-P209 HydrophobicContact CG2-CB 4.1Å; I116-I214 HydrophobicContact CD1-CD1 4.13Å; I116-I214 HydrophobicContact CD1-CG2 3.86Å
117	S	92.3	Very high	91.6	Very high	52 Å²	52	44.6 Å²	44.6	36%	0.364	24%	0.241	S	C	.	.	H	α-helix	trans	-58.6	-45	176.8	176.6	0	0	0	0	111.7	R113 Y115 M121	R113-S117 WeakPolarHBondContact O-CB 3.49Å; R113-S117 PolarHBondContact O-N 3.34Å; Y115-S117 VanDerWaalsContact C-N 3.35Å; Y115-S117 PolarHBondContact O-N 3.31Å; S117-M121 WeakPolarHBondContact O-CB 3.5Å; S117-M121 PolarHBondContact O-N 3.04Å; S117-M121 VanDerWaalsContact O-N 3.07Å
118	H	92	Very high	92.7	Very high	50 Å²	50	41 Å²	41	23%	0.231	21%	0.212	C	C	.	.	H	α-helix	trans	-65.6	-47.5	179.4	-179.7	76.2	0	0	0	112.7	L100 Q114 Y115 I116 N120 M121 V122	L100-H118 HydrophobicContact CD2-CB 4.04Å; Q114-H118 VanDerWaalsContact O-CB 3.28Å; Q114-H118 WeakPolarHBondContact O-CB 3.32Å; Q114-H118 PolarHBondContact O-N 3.43Å; Y115-H118 PolarHBondContact O-N 3.3Å; I116-H118 VanDerWaalsContact C-N 3.33Å; I116-H118 PolarHBondContact O-N 3.43Å; H118-N120 PolarHBondContact O-N 3Å; H118-M121 PolarHBondContact O-N 3.13Å; H118-V122 WeakPolarHBondContact O-CG2 3.14Å; H118-V122 PolarHBondContact O-N 2.88Å
119	I	93	Very high	93.1	Very high	9 Å²	9	44.3 Å²	44.3	5%	0.046	23%	0.226	C	C	.	.	H	α-helix	trans	-63.3	-44.1	-178.5	-69.7	-64	0	0	0	111.2	Y115 I116 M121 V122 Q123 Q205 F207	Y115-I119 HydrophobicContact CD1-CG1 4.25Å; Y115-I119 HydrophobicContact CD2-CD1 4.49Å; Y115-I119 HydrophobicContact CD2-CG1 3.93Å; Y115-I119 HydrophobicContact CE1-CG1 3.84Å; Y115-I119 HydrophobicContact CE2-CD1 3.82Å; Y115-I119 HydrophobicContact CE2-CG1 3.52Å; Y115-I119 HydrophobicContact CG-CG1 4.29Å; Y115-I119 VanDerWaalsContact CZ-CG1 3.47Å; Y115-I119 WeakPolarHBondContact O-CB 3.22Å; Y115-I119 WeakPolarHBondContact O-CG1 3.48Å; Y115-I119 PolarHBondContact O-N 2.84Å; I116-I119 PolarHBondContact O-N 2.96Å; I119-M121 VanDerWaalsContact C-N 3.32Å; I119-M121 PolarHBondContact O-N 3.23Å; I119-V122 PolarHBondContact O-N 2.92Å; I119-Q123 PolarHBondContact O-N 2.81Å; I119-Q205 WeakPolarHBondContact CG2-O 3.49Å; I119-F207 HydrophobicContact CB-CD2 4.44Å; I119-F207 HydrophobicContact CG2-CD2 3.92Å; I119-F207 HydrophobicContact CG2-CE2 4.01Å
120	N	94.8	Very high	93.4	Very high	7 Å²	7	45.5 Å²	45.5	4%	0.037	23%	0.232	C	C	.	.	H	α-helix	trans	-63.9	-37.4	176.5	-72.7	-10.2	0	0	0	112.2	I116 H118 Q123 F207 F271	I116-N120 WeakPolarHBondContact O-CB 3.36Å; I116-N120 PolarHBondContact O-N 2.76Å; H118-N120 PolarHBondContact O-N 3Å; N120-Q123 WeakPolarHBondContact O-CG 3.44Å; N120-F207 PolarHBondContact ND2-O 2.89Å; N120-F207 PolarHBondContact OD1-N 2.95Å; N120-F271 HydrophobicContact CB-CZ 4.28Å
121	M	92.5	Very high	93.7	Very high	96 Å²	96	45.8 Å²	45.8	47%	0.473	23%	0.225	S	C	.	.	H	α-helix	trans	-67.2	-42.4	177	-178.1	-170.2	67.2	0	0	112	S117 H118 I119	S117-M121 WeakPolarHBondContact O-CB 3.5Å; S117-M121 PolarHBondContact O-N 3.04Å; S117-M121 VanDerWaalsContact O-N 3.07Å; H118-M121 PolarHBondContact O-N 3.13Å; I119-M121 VanDerWaalsContact C-N 3.32Å; I119-M121 PolarHBondContact O-N 3.23Å
122	V	92.4	Very high	93.8	Very high	62 Å²	62	45.8 Å²	45.8	38%	0.376	23%	0.233	S	C	.	.	H	α-helix	trans	-76.6	-32.1	-176.2	173.9	0	0	0	0	112.1	H118 I119 Y124	H118-V122 WeakPolarHBondContact O-CG2 3.14Å; H118-V122 PolarHBondContact O-N 2.88Å; I119-V122 PolarHBondContact O-N 2.92Å; V122-Y124 VanDerWaalsContact C-N 3.28Å; V122-Y124 PolarHBondContact O-N 3.46Å
123	Q	94.6	Very high	93.8	Very high	17 Å²	17	50.6 Å²	50.6	8%	0.079	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.7	42.5	179.8	-57.6	-175.8	6.1	0	0	112.6	I119 N120 V125 F271 H275 F276	I119-Q123 PolarHBondContact O-N 2.81Å; N120-Q123 WeakPolarHBondContact O-CG 3.44Å; Q123-V125 PolarHBondContact O-N 2.96Å; Q123-V125 VanDerWaalsContact O-N 3.14Å; Q123-F271 HydrophobicContact CG-CZ 4.35Å; Q123-H275 PolarHBondContact NE2-O 2.72Å; Q123-F276 HydrophobicContact CB-CD2 4.1Å; Q123-F276 HydrophobicContact CB-CE2 3.6Å; Q123-F276 HydrophobicContact CB-CZ 4.48Å; Q123-F276 HydrophobicContact CG-CD2 3.79Å; Q123-F276 HydrophobicContact CG-CE2 3.75Å
124	Y	94	Very high	94	Very high	121 Å²	121	48.6 Å²	48.6	48%	0.475	25%	0.247	S	C	.	.	P	Polyproline II helix	trans	-60.3	116.7	-173.4	177.7	-103.6	0	0	0	112	V122 K126	V122-Y124 VanDerWaalsContact C-N 3.28Å; V122-Y124 PolarHBondContact O-N 3.46Å; Y124-K126 HydrophobicContact CE1-CB 4.08Å; Y124-K126 HydrophobicContact CE1-CG 4.44Å
125	V	96.6	Very high	94.1	Very high	6 Å²	6	43.6 Å²	43.6	4%	0.036	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	121.3	173.3	-175	0	0	0	0	108.8	Q123 E128 L134 L179 R202 V204 P278	Q123-V125 PolarHBondContact O-N 2.96Å; Q123-V125 VanDerWaalsContact O-N 3.14Å; V125-E128 HydrophobicContact CB-CG 3.75Å; V125-E128 HydrophobicContact CG1-CG 3.58Å; V125-L134 HydrophobicContact CG1-CD1 4.44Å; V125-L179 HydrophobicContact CG1-CD1 4.16Å; V125-R202 HydrophobicContact CG1-CB 3.98Å; V125-R202 HydrophobicContact CG1-CG 4.4Å; V125-V204 HydrophobicContact CB-CG2 4Å; V125-V204 HydrophobicContact CG1-CG2 4.15Å; V125-V204 HydrophobicContact CG2-CG2 3.61Å; V125-P278 HydrophobicContact CG2-CB 4.2Å; V125-P278 HydrophobicContact CG2-CG 3.65Å
126	K	96.6	Very high	94.2	Very high	25 Å²	25	45.2 Å²	45.2	11%	0.109	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	152.4	175.6	-167.8	-168.7	172.2	-153.1	0	110.8	Y124 E128 I195 G196 I198 R202 T203	Y124-K126 HydrophobicContact CE1-CB 4.08Å; Y124-K126 HydrophobicContact CE1-CG 4.44Å; K126-E128 VanDerWaalsContact C-N 3.29Å; K126-E128 PolarHBondContact O-N 3.39Å; K126-I195 PolarHBondContact NZ-O 3.19Å; K126-G196 WeakPolarHBondContact CE-O 3.13Å; K126-G196 PolarHBondContact NZ-O 3.49Å; K126-I198 PolarHBondContact NZ-O 3.1Å; K126-R202 WeakPolarHBondContact O-CA 3.47Å; K126-T203 WeakPolarHBondContact CB-O 3.45Å; K126-T203 PolarHBondContact N-O 3.48Å; K126-T203 PolarHBondContact O-N 3.35Å
127	N	97.1	Very high	94	Very high	2 Å²	2	52.6 Å²	52.6	1%	0.011	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	67.3	23.4	177.4	-51.3	-41.4	0	0	0	113.7	D129 L130 Y131 I198 R199 T201	N127-D129 VanDerWaalsContact CA-OD1 3.28Å; N127-D129 WeakPolarHBondContact CA-OD1 3.49Å; N127-D129 PolarHBondContact O-N 3.31Å; N127-L130 HydrophobicContact CB-CD1 4.31Å; N127-L130 PolarHBondContact O-N 3.31Å; N127-L130 VanDerWaalsContact O-N 3.16Å; N127-Y131 HydrophobicContact CB-CD2 3.82Å; N127-Y131 HydrophobicContact CB-CE2 4Å; N127-Y131 WeakPolarHBondContact O-CD2 3.39Å; N127-Y131 PolarHBondContact O-N 3.11Å; N127-I198 PolarHBondContact ND2-O 2.77Å; N127-R199 VanDerWaalsContact OD1-CD 3.24Å; N127-R199 WeakPolarHBondContact OD1-CD 3.28Å; N127-R199 PolarHBondContact OD1-NH1 3.28Å; N127-T201 PolarHBondContact ND2-O 2.8Å
128	E	93.8	Very high	93.9	Very high	42 Å²	42	57.5 Å²	57.5	20%	0.196	28%	0.284	C	S	.	.	H	α-helix	trans	-65.3	-24.7	171.8	-67.3	-164.7	121.9	0	0	112.6	V125 K126 L130 G132 Q133 L134	V125-E128 HydrophobicContact CB-CG 3.75Å; V125-E128 HydrophobicContact CG1-CG 3.58Å; K126-E128 VanDerWaalsContact C-N 3.29Å; K126-E128 PolarHBondContact O-N 3.39Å; E128-L130 VanDerWaalsContact C-N 3.27Å; E128-L130 PolarHBondContact O-N 3.37Å; E128-G132 CarbonylContact O-C 3.58Å; E128-G132 WeakPolarHBondContact O-CA 3.43Å; E128-G132 PolarHBondContact O-N 3.22Å; E128-Q133 WeakPolarHBondContact OE1-CA 3.46Å; E128-L134 PolarHBondContact OE1-N 3.06Å
129	D	94.3	Very high	93.8	Very high	120 Å²	120	56 Å²	56	64%	0.642	28%	0.277	S	S	*	.	H	α-helix	trans	-63.9	-31	171.5	58.9	-56.4	0	0	0	112.8	N127	N127-D129 VanDerWaalsContact CA-OD1 3.28Å; N127-D129 WeakPolarHBondContact CA-OD1 3.49Å; N127-D129 PolarHBondContact O-N 3.31Å
130	L	95.6	Very high	93.5	Very high	92 Å²	92	57.9 Å²	57.9	48%	0.482	29%	0.285	S	S	.	.	H	α-helix	trans	-92.4	-36	-178.4	-59.4	179	0	0	0	112.8	N127 E128	N127-L130 HydrophobicContact CB-CD1 4.31Å; N127-L130 PolarHBondContact O-N 3.31Å; N127-L130 VanDerWaalsContact O-N 3.16Å; E128-L130 VanDerWaalsContact C-N 3.27Å; E128-L130 PolarHBondContact O-N 3.37Å
131	Y	95.9	Very high	93.1	Very high	65 Å²	65	64.8 Å²	64.8	26%	0.255	32%	0.322	S	S	.	.	H	α-helix	trans	-114.6	-6.1	-170.2	-59.2	-63	0	0	0	113.4	N127 E176 R199 F200 T201 R202	N127-Y131 HydrophobicContact CB-CD2 3.82Å; N127-Y131 HydrophobicContact CB-CE2 4Å; N127-Y131 WeakPolarHBondContact O-CD2 3.39Å; N127-Y131 PolarHBondContact O-N 3.11Å; Y131-E176 HydrophobicContact CD1-CB 4.26Å; Y131-E176 WeakPolarHBondContact CD1-O 3.43Å; Y131-E176 HydrophobicContact CE1-CB 3.71Å; Y131-R199 PolarHBondContact OH-O 3.44Å; Y131-F200 VanDerWaalsContact CZ-C 3.49Å; Y131-F200 WeakPolarHBondContact OH-CA 3.38Å; Y131-F200 PolarHBondContact OH-O 2.83Å; Y131-T201 VanDerWaalsContact CE2-CA 3.41Å; Y131-T201 VanDerWaalsContact CE2-N 3.33Å; Y131-R202 HydrophobicContact CD2-CG 4.07Å; Y131-R202 HydrophobicContact CG-CG 4.24Å; Y131-R202 PolarHBondContact O-NH2 2.78Å
132	G	92.4	Very high	92.9	Very high	34 Å²	34	64.9 Å²	64.9	35%	0.351	33%	0.333	S	S	.	.			trans	91	159.2	-177.3	0	0	0	0	0	113.1	E128 R202	E128-G132 CarbonylContact O-C 3.58Å; E128-G132 WeakPolarHBondContact O-CA 3.43Å; E128-G132 PolarHBondContact O-N 3.22Å; G132-R202 PolarHBondContact O-NE 2.99Å
133	Q	93.7	Very high	92.6	Very high	109 Å²	109	63.2 Å²	63.2	51%	0.509	32%	0.322	S	S	.	.	P	Polyproline II helix	trans	-81.1	141.2	-169.8	-169.9	172.2	42.6	0	0	113.2	E128 N139 S145	E128-Q133 WeakPolarHBondContact OE1-CA 3.46Å; Q133-N139 PolarHBondContact NE2-ND2 3.37Å; Q133-N139 PolarHBondContact OE1-ND2 3.42Å; Q133-S145 PolarHBondContact O-OG 2.82Å
134	L	95.5	Very high	92.3	Very high	1 Å²	1	71.7 Å²	71.7	1%	0.005	35%	0.354	C	S	.	.	P	Polyproline II helix	trans	-101.7	165.3	170.7	-68.1	179.8	0	0	0	111.2	V125 E128 T136 L179 P278	V125-L134 HydrophobicContact CG1-CD1 4.44Å; E128-L134 PolarHBondContact OE1-N 3.06Å; L134-T136 PolarHBondContact O-N 3.45Å; L134-L179 HydrophobicContact CD1-CB 4.47Å; L134-L179 HydrophobicContact CD1-CD1 4.1Å; L134-L179 HydrophobicContact CD1-CD2 3.9Å; L134-L179 HydrophobicContact CD1-CG 4.39Å; L134-P278 HydrophobicContact CB-CB 3.98Å; L134-P278 HydrophobicContact CD1-CB 3.91Å
135	P	94.7	Very high	92.2	Very high	0 Å²	0	68 Å²	68	0%	0	35%	0.346	C	S	.	.	P	Polyproline II helix	trans	-60.4	133.6	175.1	-19.9	30.8	0	0	0	111.3	F140 T143 S145 Y277 P278 Y281	P135-F140 HydrophobicContact CB-CD2 4.21Å; P135-T143 HydrophobicContact CG-CG2 4.33Å; P135-T143 WeakPolarHBondContact CG-O 3.45Å; P135-S145 VanDerWaalsContact CD-O 3.3Å; P135-S145 WeakPolarHBondContact CD-O 3.22Å; P135-S145 VanDerWaalsContact CG-O 3.32Å; P135-S145 WeakPolarHBondContact CG-O 3.45Å; P135-Y277 CarbonylContact O-C 3.58Å; P135-Y277 VanDerWaalsContact O-C 3.32Å; P135-Y277 WeakPolarHBondContact O-CB 3.49Å; P135-P278 WeakPolarHBondContact O-CA 2.95Å; P135-P278 WeakPolarHBondContact O-CD 3.18Å; P135-P278 VanDerWaalsContact O-N 3.16Å; P135-Y281 HydrophobicContact CG-CD2 4.03Å; P135-Y281 HydrophobicContact CG-CE2 4.22Å
136	T	92.8	Very high	92.1	Very high	35 Å²	35	69.7 Å²	69.7	22%	0.215	36%	0.358	C	S	.	.			trans	-121.8	172	174.6	67.5	0	0	0	0	108.3	L134 D138 N139 F140	L134-T136 PolarHBondContact O-N 3.45Å; T136-D138 PolarHBondContact O-N 3.38Å; T136-D138 PolarHBondContact OG1-N 2.96Å; T136-N139 WeakPolarHBondContact CA-OD1 3.31Å; T136-N139 PolarHBondContact N-OD1 3.38Å; T136-N139 PolarHBondContact O-OD1 2.99Å; T136-N139 PolarHBondContact OG1-N 3.21Å; T136-N139 PolarHBondContact OG1-OD1 2.7Å; T136-F140 WeakPolarHBondContact O-CA 3.18Å; T136-F140 VanDerWaalsContact O-CB 3.3Å; T136-F140 WeakPolarHBondContact O-CB 3.46Å; T136-F140 PolarHBondContact O-N 3.19Å
137	R	89	Confident	92.1	Very high	159 Å²	159	68.7 Å²	68.7	60%	0.6	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-39.9	173.9	-179.4	175.6	165.6	-179.4	-3.9	112.8	Y277	R137-Y277 HydrophobicContact CB-CD2 4.12Å; R137-Y277 HydrophobicContact CB-CE2 3.67Å; R137-Y277 HydrophobicContact CG-CE2 4.17Å
138	D	89.7	Confident	92	Very high	155 Å²	155	73.2 Å²	73.2	83%	0.829	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.3	-28.9	-170.7	-62.2	-27.3	0	0	0	113.1	T136	T136-D138 PolarHBondContact O-N 3.38Å; T136-D138 PolarHBondContact OG1-N 2.96Å
139	N	90.6	Very high	92.2	Very high	19 Å²	19	72.1 Å²	72.1	10%	0.102	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.4	12	-179.7	74.4	-0.7	0	0	0	113.5	Q133 T136 N141 S142 T143	Q133-N139 PolarHBondContact NE2-ND2 3.37Å; Q133-N139 PolarHBondContact OE1-ND2 3.42Å; T136-N139 WeakPolarHBondContact CA-OD1 3.31Å; T136-N139 PolarHBondContact N-OD1 3.38Å; T136-N139 PolarHBondContact O-OD1 2.99Å; T136-N139 PolarHBondContact OG1-N 3.21Å; T136-N139 PolarHBondContact OG1-OD1 2.7Å; N139-N141 PolarHBondContact O-N 2.79Å; N139-N141 VanDerWaalsContact O-N 3.09Å; N139-S142 PolarHBondContact O-N 2.88Å; N139-S142 PolarHBondContact O-OG 3.28Å; N139-T143 PolarHBondContact ND2-OG1 3.11Å; N139-T143 PolarHBondContact O-N 3.43Å
140	F	87	Confident	92.4	Very high	48 Å²	48	66.4 Å²	66.4	21%	0.211	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-35.1	-172.2	-173.2	-114.6	0	0	0	113.9	P135 T136 Y277 K280 Y281	P135-F140 HydrophobicContact CB-CD2 4.21Å; T136-F140 WeakPolarHBondContact O-CA 3.18Å; T136-F140 VanDerWaalsContact O-CB 3.3Å; T136-F140 WeakPolarHBondContact O-CB 3.46Å; T136-F140 PolarHBondContact O-N 3.19Å; F140-Y277 HydrophobicContact CB-CD1 4.35Å; F140-Y277 HydrophobicContact CB-CE1 4.47Å; F140-Y277 AromaticContact CD2-CD1 3.59Å; F140-Y277 HydrophobicContact CD2-CD1 3.59Å; F140-Y277 HydrophobicContact CD2-CE1 4.2Å; F140-Y277 HydrophobicContact CE2-CD1 4.1Å; F140-Y277 AromaticContact CG-CD1 4Å; F140-Y277 HydrophobicContact CG-CD1 4Å; F140-Y277 HydrophobicContact CG-CE1 4.18Å; F140-K280 HydrophobicContact CE2-CB 3.87Å; F140-K280 HydrophobicContact CE2-CG 3.61Å; F140-K280 HydrophobicContact CZ-CB 4.45Å; F140-K280 HydrophobicContact CZ-CD 4.5Å; F140-K280 HydrophobicContact CZ-CG 3.68Å; F140-Y281 HydrophobicContact CD2-CE2 4.45Å; F140-Y281 AromaticContact CE2-CE2 3.79Å; F140-Y281 HydrophobicContact CE2-CE2 3.79Å; F140-Y281 AromaticContact CE2-CZ 3.77Å; F140-Y281 HydrophobicContact CZ-CE1 4.49Å; F140-Y281 HydrophobicContact CZ-CE2 4.29Å; F140-Y281 AromaticContact CZ-CZ 3.78Å; F140-Y281 VanDerWaalsContact CZ-OH 3.23Å; F140-Y281 WeakPolarHBondContact CZ-OH 3.19Å
141	N	87.1	Confident	92.6	Very high	152 Å²	152	62.1 Å²	62.1	81%	0.813	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-22.2	-179.6	-68.9	-30.8	0	0	0	113.6	N139	N139-N141 PolarHBondContact O-N 2.79Å; N139-N141 VanDerWaalsContact O-N 3.09Å
142	S	88.1	Confident	92.7	Very high	99 Å²	99	59 Å²	59	69%	0.692	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100	-24.8	-177.2	58.5	0	0	0	0	113.2	N139	N139-S142 PolarHBondContact O-N 2.88Å; N139-S142 PolarHBondContact O-OG 3.28Å
143	T	86.4	Confident	93	Very high	26 Å²	26	57.4 Å²	57.4	16%	0.16	29%	0.291	C	S	.	.			trans	-115.5	116.6	-174.9	-56.5	0	0	0	0	110.7	P135 N139 S145	P135-T143 HydrophobicContact CG-CG2 4.33Å; P135-T143 WeakPolarHBondContact CG-O 3.45Å; N139-T143 PolarHBondContact ND2-OG1 3.11Å; N139-T143 PolarHBondContact O-N 3.43Å; T143-S145 VanDerWaalsContact CG2-OG 3.25Å; T143-S145 WeakPolarHBondContact CG2-OG 3.39Å
144	R	86.7	Confident	93.2	Very high	195 Å²	195	53 Å²	53	74%	0.736	27%	0.271	S	S	*	.			trans	-115.6	26.7	175.2	-61.2	-171.3	-177.6	177.6	1.5	112.9	Y281	R144-Y281 HydrophobicContact CB-CD2 4.22Å; R144-Y281 HydrophobicContact CB-CE2 4.11Å; R144-Y281 HydrophobicContact CG-CE2 3.93Å
145	S	91.8	Very high	93.4	Very high	44 Å²	44	53 Å²	53	31%	0.308	27%	0.27	S	S	.	.			trans	-68.9	159.6	174.8	56.8	0	0	0	0	111	Q133 P135 T143	Q133-S145 PolarHBondContact O-OG 2.82Å; P135-S145 VanDerWaalsContact CD-O 3.3Å; P135-S145 WeakPolarHBondContact CD-O 3.22Å; P135-S145 VanDerWaalsContact CG-O 3.32Å; P135-S145 WeakPolarHBondContact CG-O 3.45Å; T143-S145 VanDerWaalsContact CG2-OG 3.25Å; T143-S145 WeakPolarHBondContact CG2-OG 3.39Å
146	S	94.5	Very high	93.4	Very high	42 Å²	42	56.9 Å²	56.9	29%	0.294	29%	0.289	S	S	.	.			trans	-144.6	145.9	175.6	-160.8	0	0	0	0	108.9	Y282	S146-Y282 WeakPolarHBondContact OG-CA 3.46Å; S146-Y282 WeakPolarHBondContact OG-CB 3.36Å; S146-Y282 WeakPolarHBondContact OG-CD2 3.28Å; S146-Y282 PolarHBondContact OG-N 3.13Å
147	P	96.7	Very high	93.4	Very high	4 Å²	4	58.7 Å²	58.7	3%	0.026	30%	0.297	C	S	.	.			trans	-66.7	156.2	171.3	30.5	-36.8	0	0	0	111	H149 V150 L179 Y282	P147-H149 VanDerWaalsContact C-N 3.35Å; P147-V150 HydrophobicContact CG-CG2 3.53Å; P147-L179 HydrophobicContact CB-CB 3.74Å; P147-L179 HydrophobicContact CG-CB 3.82Å; P147-L179 HydrophobicContact CG-CD2 4.34Å; P147-Y282 HydrophobicContact CG-CD2 4.29Å; P147-Y282 VanDerWaalsContact O-CD2 3.31Å; P147-Y282 WeakPolarHBondContact O-CD2 3.44Å; P147-Y282 VanDerWaalsContact O-CE2 3.28Å; P147-Y282 WeakPolarHBondContact O-CE2 3.29Å
148	N	96.1	Very high	93.5	Very high	97 Å²	97	53.6 Å²	53.6	52%	0.519	28%	0.277	S	S	.	.	S	Bend	trans	-70.3	-36.4	176.6	-71	1	0	0	0	111.4	T177 Y282	N148-T177 WeakPolarHBondContact CB-OG1 3.4Å; N148-T177 PolarHBondContact N-O 3.22Å; N148-T177 WeakPolarHBondContact ND2-CB 3.25Å; N148-T177 PolarHBondContact ND2-OG1 2.97Å; N148-Y282 PolarHBondContact O-OH 2.88Å
149	H	98	Very high	93.6	Very high	18 Å²	18	47.3 Å²	47.3	8%	0.083	25%	0.246	C	C	.	.			trans	-136.8	144.3	178.4	-58.7	-70.2	0	0	0	110.4	P147 A178 L179 L300 E304	P147-H149 VanDerWaalsContact C-N 3.35Å; H149-A178 HydrophobicContact CB-CB 4.04Å; H149-A178 CarbonylContact O-C 3.57Å; H149-A178 VanDerWaalsContact O-CA 3.3Å; H149-A178 WeakPolarHBondContact O-CA 3.37Å; H149-L179 PolarHBondContact O-N 3.32Å; H149-L300 HydrophobicContact CB-CD1 4.49Å; H149-L300 HydrophobicContact CB-CD2 3.8Å; H149-E304 IonicContact CE1-OE2 2.72Å
150	V	98.7	Very high	93.5	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	124.1	173.3	-178.9	0	0	0	0	109.3	P147 I152 L179 I181 T279 Y282 F286 I287	P147-V150 HydrophobicContact CG-CG2 3.53Å; V150-I152 HydrophobicContact CG1-CG1 4.31Å; V150-L179 WeakPolarHBondContact CA-O 3.33Å; V150-I181 HydrophobicContact CG1-CD1 3.88Å; V150-T279 HydrophobicContact CG1-CG2 4.02Å; V150-T279 HydrophobicContact CG2-CG2 3.95Å; V150-Y282 HydrophobicContact CB-CD1 4.11Å; V150-Y282 HydrophobicContact CB-CE1 3.82Å; V150-Y282 HydrophobicContact CG2-CD1 3.54Å; V150-Y282 HydrophobicContact CG2-CD2 3.86Å; V150-Y282 HydrophobicContact CG2-CE1 3.61Å; V150-Y282 HydrophobicContact CG2-CE2 3.95Å; V150-Y282 HydrophobicContact CG2-CG 3.66Å; V150-F286 HydrophobicContact CB-CD1 3.94Å; V150-F286 HydrophobicContact CB-CE1 4.32Å; V150-F286 HydrophobicContact CG1-CD1 3.56Å; V150-F286 HydrophobicContact CG1-CE1 3.95Å; V150-F286 HydrophobicContact CG2-CE1 4.46Å; V150-I287 PolarHBondContact O-N 3.49Å
151	I	98.8	Very high	93.8	Very high	2 Å²	2	48.6 Å²	48.6	1%	0.01	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	126.9	175.4	-55.9	176.6	0	0	0	107.9	I153 L169 I175 L179 I180 I181 I287 L289 L300	I151-I153 HydrophobicContact CG2-CD1 4.38Å; I151-I153 HydrophobicContact CG2-CG1 3.94Å; I151-L169 HydrophobicContact CD1-CD2 3.75Å; I151-I175 HydrophobicContact CD1-CD1 3.97Å; I151-L179 PolarHBondContact N-O 2.67Å; I151-I180 HydrophobicContact CB-CG1 4.48Å; I151-I180 HydrophobicContact CD1-CG1 4.47Å; I151-I180 WeakPolarHBondContact O-CA 3.32Å; I151-I181 PolarHBondContact O-N 3.35Å; I151-I287 CarbonylContact C-O 3.39Å; I151-I287 WeakPolarHBondContact CA-O 3.5Å; I151-I287 HydrophobicContact CG1-CB 4.4Å; I151-L289 HydrophobicContact CG2-CD1 3.56Å; I151-L289 HydrophobicContact CG2-CG 4.06Å; I151-L300 HydrophobicContact CD1-CD2 4.37Å
152	I	98.8	Very high	94.2	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	120.2	175.6	-46.4	175.6	0	0	0	107.8	V150 I181 K268 V272 F286 I287 L288 L289	V150-I152 HydrophobicContact CG1-CG1 4.31Å; I152-I181 CarbonylContact C-O 3.59Å; I152-I181 WeakPolarHBondContact CA-O 3.17Å; I152-I181 HydrophobicContact CG1-CD1 4.48Å; I152-K268 HydrophobicContact CG2-CD 4.08Å; I152-K268 HydrophobicContact CG2-CG 4.32Å; I152-V272 HydrophobicContact CD1-CB 3.8Å; I152-V272 HydrophobicContact CD1-CG1 3.5Å; I152-V272 HydrophobicContact CD1-CG2 4.17Å; I152-V272 HydrophobicContact CG1-CG1 4.07Å; I152-F286 HydrophobicContact CD1-CB 4.27Å; I152-F286 HydrophobicContact CD1-CD1 4.01Å; I152-I287 PolarHBondContact N-O 2.69Å; I152-L288 HydrophobicContact CB-CD2 3.84Å; I152-L288 HydrophobicContact CD1-CD2 3.75Å; I152-L288 HydrophobicContact CG1-CD2 4.14Å; I152-L288 WeakPolarHBondContact O-CA 3.5Å; I152-L289 PolarHBondContact O-N 3.3Å
153	I	98.7	Very high	94.5	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	119.6	-177.1	-55.1	174.9	0	0	0	108.5	I151 V155 L165 L169 I180 I181 F182 S183 L289	I151-I153 HydrophobicContact CG2-CD1 4.38Å; I151-I153 HydrophobicContact CG2-CG1 3.94Å; I153-V155 HydrophobicContact CB-CG2 4.47Å; I153-V155 HydrophobicContact CG2-CG2 3.85Å; I153-L165 HydrophobicContact CD1-CD2 3.93Å; I153-L165 HydrophobicContact CG1-CD2 4.37Å; I153-L165 HydrophobicContact CG2-CD2 3.73Å; I153-L169 HydrophobicContact CD1-CD1 3.83Å; I153-I180 HydrophobicContact CD1-CG2 3.46Å; I153-I180 VanDerWaalsContact CD1-CG2 3.46Å; I153-I180 HydrophobicContact CG1-CG2 4.15Å; I153-I181 PolarHBondContact N-O 3.11Å; I153-F182 HydrophobicContact CB-CD1 4.16Å; I153-F182 HydrophobicContact CD1-CD1 3.95Å; I153-F182 HydrophobicContact CD1-CE1 3.51Å; I153-F182 HydrophobicContact CD1-CZ 4Å; I153-F182 HydrophobicContact CG2-CD1 4.38Å; I153-S183 PolarHBondContact O-N 3.02Å; I153-L289 CarbonylContact C-O 3.53Å; I153-L289 WeakPolarHBondContact CA-O 3.28Å; I153-L289 HydrophobicContact CG1-CB 4.23Å
154	Q	98.5	Very high	94.8	Very high	17 Å²	17	38.2 Å²	38.2	8%	0.079	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	118.7	169.4	-171	162.7	-44.7	0	0	109.5	K268 L289 E291	Q154-K268 HydrophobicContact CB-CD 4.11Å; Q154-K268 HydrophobicContact CG-CD 4.4Å; Q154-L289 PolarHBondContact N-O 2.82Å; Q154-E291 PolarHBondContact O-N 2.91Å
155	V	97.9	Very high	95.3	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	130	-176.1	-177.6	0	0	0	0	109.1	I153 L162 F182 S183 H184 D185 L191	I153-V155 HydrophobicContact CB-CG2 4.47Å; I153-V155 HydrophobicContact CG2-CG2 3.85Å; V155-L162 HydrophobicContact CG1-CD2 3.96Å; V155-L162 HydrophobicContact CG2-CD1 4.16Å; V155-L162 HydrophobicContact CG2-CD2 4.48Å; V155-F182 HydrophobicContact CG2-CB 4.28Å; V155-F182 HydrophobicContact CG2-CD1 4Å; V155-S183 PolarHBondContact N-O 2Å; V155-H184 WeakPolarHBondContact O-CA 3.45Å; V155-D185 PolarHBondContact O-N 2.77Å; V155-L191 HydrophobicContact CG1-CD1 4.05Å
156	H	95.4	Very high	95.6	Very high	83 Å²	83	27.1 Å²	27.1	38%	0.384	14%	0.143	S	C	.	.			trans	-110.4	-94.1	172.9	-175.3	59.4	0	0	0	109	D185 F186 L191 E291	H156-D185 WeakPolarHBondContact CA-OD1 3.45Å; H156-D185 IonicContact CE1-OD1 3.05Å; H156-D185 IonicContact CG-OD1 3.65Å; H156-D185 IonicContact ND1-OD1 3.46Å; H156-D185 PolarHBondContact ND1-OD1 3.2Å; H156-D185 IonicContact ND1-OD2 3.85Å; H156-F186 WeakPolarHBondContact O-CB 3.3Å; H156-L191 WeakPolarHBondContact O-CD1 3.07Å; H156-E291 PolarHBondContact N-OE2 3.06Å
157	N	93.2	Very high	95.6	Very high	72 Å²	72	26.3 Å²	26.3	39%	0.385	14%	0.135	S	C	.	.	S	Bend	trans	-151.6	36.4	-175.3	-164.7	27.6	0	0	0	113.5	F186 E291	N157-F186 HydrophobicContact CB-CD1 4.02Å; N157-F186 HydrophobicContact CB-CE1 4.5Å; N157-F186 HydrophobicContact CB-CG 4.34Å; N157-E291 PolarHBondContact N-OE2 3.23Å
158	R	90.5	Very high	95.6	Very high	52 Å²	52	26.2 Å²	26.2	20%	0.196	13%	0.134	C	C	.	.			trans	-111.8	82.5	178.4	-66.7	-175.3	-69.9	172.6	-1.5	111.3	I160 E161 L162 E291 D292	R158-I160 VanDerWaalsContact C-N 3.33Å; R158-I160 PolarHBondContact O-N 2.89Å; R158-E161 HydrophobicContact CB-CB 4.02Å; R158-E161 HydrophobicContact CB-CG 4.33Å; R158-E161 WeakPolarHBondContact CB-OE2 3.02Å; R158-E161 PolarHBondContact O-N 3.03Å; R158-L162 WeakPolarHBondContact O-CB 3.31Å; R158-L162 PolarHBondContact O-N 3.49Å; R158-E291 HydrophobicContact CB-CG 4.24Å; R158-E291 VanDerWaalsContact CB-OE1 3.31Å; R158-E291 WeakPolarHBondContact CB-OE1 3.47Å; R158-E291 WeakPolarHBondContact CG-OE1 3.17Å; R158-E291 IonicContact CZ-OE1 2.75Å; R158-E291 PolarHBondContact N-OE1 3.15Å; R158-E291 PolarHBondContact N-OE2 3.35Å; R158-E291 IonicContact NE-OE1 3.77Å; R158-E291 PolarHBondContact NE-OE1 2.88Å; R158-E291 IonicContact NH2-OE1 2.75Å; R158-D292 IonicContact CZ-OD2 3.51Å; R158-D292 IonicContact NH1-OD2 2.63Å; R158-D292 PolarHBondContact NH1-OD2 2.6Å; R158-D292 IonicContact NH2-OD1 2.76Å; R158-D292 PolarHBondContact NH2-OD1 2.77Å; R158-D292 IonicContact NH2-OD2 2.75Å; R158-D292 PolarHBondContact NH2-OD2 3.24Å
159	S	91.6	Very high	95.7	Very high	23 Å²	23	21.6 Å²	21.6	16%	0.161	11%	0.11	C	C	.	.	H	α-helix	trans	-63.1	-34.7	-174.7	61.3	0	0	0	0	113.8	S163 E190	S159-S163 WeakPolarHBondContact O-CB 2.92Å; S159-S163 PolarHBondContact O-N 2.77Å; S159-E190 WeakPolarHBondContact CB-OE1 3.38Å; S159-E190 PolarHBondContact OG-OE1 3.45Å
160	I	90.1	Very high	95.7	Very high	78 Å²	78	24 Å²	24	40%	0.4	12%	0.118	S	C	.	.	H	α-helix	trans	-64.9	-55.6	178.3	-63.1	173.2	0	0	0	109.8	R158 L162 S163 L164	R158-I160 VanDerWaalsContact C-N 3.33Å; R158-I160 PolarHBondContact O-N 2.89Å; I160-L162 VanDerWaalsContact C-N 3.33Å; I160-L162 PolarHBondContact O-N 2.98Å; I160-S163 WeakPolarHBondContact O-CB 3.47Å; I160-S163 PolarHBondContact O-N 2.88Å; I160-S163 VanDerWaalsContact O-N 3.11Å; I160-S163 PolarHBondContact O-OG 3.12Å; I160-L164 HydrophobicContact CG2-CD1 4.27Å; I160-L164 WeakPolarHBondContact O-CG 3.15Å; I160-L164 PolarHBondContact O-N 3.46Å; I160-L164 VanDerWaalsContact O-N 3.11Å
161	E	91.7	Very high	95.5	Very high	16 Å²	16	28.2 Å²	28.2	8%	0.075	13%	0.134	C	C	.	.	H	α-helix	trans	-55.2	-48.7	176.5	-75.3	69	-157.7	0	0	111.1	R158 S163 L164 L165 E291 D292 T420	R158-E161 HydrophobicContact CB-CB 4.02Å; R158-E161 HydrophobicContact CB-CG 4.33Å; R158-E161 WeakPolarHBondContact CB-OE2 3.02Å; R158-E161 PolarHBondContact O-N 3.03Å; E161-S163 VanDerWaalsContact C-N 3.27Å; E161-S163 PolarHBondContact O-N 2.93Å; E161-L164 WeakPolarHBondContact O-CB 3.47Å; E161-L164 PolarHBondContact O-N 3.38Å; E161-L165 PolarHBondContact O-N 3.07Å; E161-E291 CarbonylContact C-O 3.48Å; E161-D292 HydrophobicContact CB-CB 4.02Å; E161-D292 HydrophobicContact CG-CB 3.89Å; E161-T420 HydrophobicContact CG-CG2 4.09Å; E161-T420 PolarHBondContact OE1-OG1 2.81Å
162	L	95.3	Very high	95.4	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-59.2	-38.8	177.6	-177.3	60.6	0	0	0	112	V155 R158 I160 L164 L165 I166 F182 L191 L194 I195 E291	V155-L162 HydrophobicContact CG1-CD2 3.96Å; V155-L162 HydrophobicContact CG2-CD1 4.16Å; V155-L162 HydrophobicContact CG2-CD2 4.48Å; R158-L162 WeakPolarHBondContact O-CB 3.31Å; R158-L162 PolarHBondContact O-N 3.49Å; I160-L162 VanDerWaalsContact C-N 3.33Å; I160-L162 PolarHBondContact O-N 2.98Å; L162-L164 VanDerWaalsContact C-N 3.31Å; L162-L164 PolarHBondContact O-N 3.07Å; L162-L165 HydrophobicContact CD1-CD2 4.5Å; L162-L165 PolarHBondContact O-N 3.47Å; L162-I166 HydrophobicContact CD1-CD1 4.23Å; L162-I166 HydrophobicContact CD1-CG1 4.43Å; L162-I166 HydrophobicContact CG-CD1 3.92Å; L162-I166 WeakPolarHBondContact O-CB 3.27Å; L162-I166 VanDerWaalsContact O-CG1 3.29Å; L162-I166 WeakPolarHBondContact O-CG1 3.38Å; L162-I166 PolarHBondContact O-N 3.23Å; L162-F182 HydrophobicContact CD1-CD1 4.18Å; L162-F182 HydrophobicContact CD1-CE1 3.95Å; L162-L191 HydrophobicContact CD2-CD2 3.76Å; L162-L194 HydrophobicContact CB-CD2 4.16Å; L162-L194 HydrophobicContact CD2-CD2 4.03Å; L162-L194 HydrophobicContact CG-CD2 3.92Å; L162-I195 HydrophobicContact CD2-CD1 4.25Å; L162-I195 HydrophobicContact CD2-CG1 4.37Å; L162-E291 WeakPolarHBondContact CA-O 3.4Å; L162-E291 HydrophobicContact CB-CB 4.31Å; L162-E291 HydrophobicContact CD1-CB 4.27Å; L162-E291 PolarHBondContact N-O 3.35Å
163	S	94.4	Very high	95.3	Very high	33 Å²	33	35 Å²	35	23%	0.231	16%	0.163	C	C	.	.	H	α-helix	trans	-65.2	-36.8	178	78.3	0	0	0	0	112.1	S159 I160 E161 I166 E167	S159-S163 WeakPolarHBondContact O-CB 2.92Å; S159-S163 PolarHBondContact O-N 2.77Å; I160-S163 WeakPolarHBondContact O-CB 3.47Å; I160-S163 PolarHBondContact O-N 2.88Å; I160-S163 VanDerWaalsContact O-N 3.11Å; I160-S163 PolarHBondContact O-OG 3.12Å; E161-S163 VanDerWaalsContact C-N 3.27Å; E161-S163 PolarHBondContact O-N 2.93Å; S163-I166 PolarHBondContact O-N 2.98Å; S163-E167 WeakPolarHBondContact O-CB 3.39Å; S163-E167 PolarHBondContact O-N 3.31Å
164	L	93.9	Very high	95.1	Very high	26 Å²	26	35.9 Å²	35.9	14%	0.136	17%	0.173	C	C	.	.	H	α-helix	trans	-70.4	-40.4	176.6	-64	167.6	0	0	0	111	I160 E161 L162 E167 S168 T420 V424	I160-L164 HydrophobicContact CG2-CD1 4.27Å; I160-L164 WeakPolarHBondContact O-CG 3.15Å; I160-L164 PolarHBondContact O-N 3.46Å; I160-L164 VanDerWaalsContact O-N 3.11Å; E161-L164 WeakPolarHBondContact O-CB 3.47Å; E161-L164 PolarHBondContact O-N 3.38Å; L162-L164 VanDerWaalsContact C-N 3.31Å; L162-L164 PolarHBondContact O-N 3.07Å; L164-E167 PolarHBondContact O-N 3.11Å; L164-S168 PolarHBondContact O-N 2.69Å; L164-T420 HydrophobicContact CD1-CG2 3.39Å; L164-V424 HydrophobicContact CB-CG2 4.21Å; L164-V424 HydrophobicContact CD1-CG2 3.93Å; L164-V424 HydrophobicContact CD2-CB 4.47Å; L164-V424 HydrophobicContact CD2-CG1 4.3Å; L164-V424 HydrophobicContact CD2-CG2 4.17Å; L164-V424 HydrophobicContact CG-CG2 4.33Å
165	L	96.4	Very high	95.1	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-58.7	-50	171.6	176.5	55.1	0	0	0	111.1	I153 E161 L162 E167 S168 L169 L289 E290 H293 V295	I153-L165 HydrophobicContact CD1-CD2 3.93Å; I153-L165 HydrophobicContact CG1-CD2 4.37Å; I153-L165 HydrophobicContact CG2-CD2 3.73Å; E161-L165 PolarHBondContact O-N 3.07Å; L162-L165 HydrophobicContact CD1-CD2 4.5Å; L162-L165 PolarHBondContact O-N 3.47Å; L165-E167 VanDerWaalsContact C-N 3.3Å; L165-E167 PolarHBondContact O-N 3.28Å; L165-S168 PolarHBondContact O-N 3.38Å; L165-S168 VanDerWaalsContact O-N 3.13Å; L165-S168 PolarHBondContact O-OG 3.11Å; L165-L169 HydrophobicContact CD1-CD1 3.87Å; L165-L169 HydrophobicContact CD1-CG 4.08Å; L165-L169 HydrophobicContact CG-CD1 3.81Å; L165-L169 HydrophobicContact CG-CG 4.49Å; L165-L169 WeakPolarHBondContact O-CG 3.49Å; L165-L169 PolarHBondContact O-N 2.94Å; L165-L289 HydrophobicContact CD1-CD1 4.17Å; L165-E290 WeakPolarHBondContact CD2-O 3.46Å; L165-H293 VanDerWaalsContact CB-O 3.28Å; L165-H293 WeakPolarHBondContact CB-O 3.38Å; L165-H293 HydrophobicContact CD1-CB 4.35Å; L165-H293 WeakPolarHBondContact CD1-O 2.93Å; L165-V295 HydrophobicContact CD1-CG1 4.12Å
166	I	97.6	Very high	95.1	Very high	6 Å²	6	39.6 Å²	39.6	3%	0.031	19%	0.191	C	C	.	.	H	α-helix	trans	-59.2	-42	178.6	-72.4	166.1	0	0	0	111.3	L162 S163 S168 L169 R170 F182 L194 I195 I198 F200	L162-I166 HydrophobicContact CD1-CD1 4.23Å; L162-I166 HydrophobicContact CD1-CG1 4.43Å; L162-I166 HydrophobicContact CG-CD1 3.92Å; L162-I166 WeakPolarHBondContact O-CB 3.27Å; L162-I166 VanDerWaalsContact O-CG1 3.29Å; L162-I166 WeakPolarHBondContact O-CG1 3.38Å; L162-I166 PolarHBondContact O-N 3.23Å; S163-I166 PolarHBondContact O-N 2.98Å; I166-S168 VanDerWaalsContact C-N 3.35Å; I166-L169 PolarHBondContact O-N 2.64Å; I166-R170 WeakPolarHBondContact O-CB 3.31Å; I166-R170 PolarHBondContact O-N 3.42Å; I166-F182 HydrophobicContact CD1-CE1 4.32Å; I166-F182 HydrophobicContact CD1-CZ 4.44Å; I166-F182 HydrophobicContact CG1-CE1 4.23Å; I166-F182 HydrophobicContact CG1-CZ 4.24Å; I166-L194 HydrophobicContact CD1-CD1 4.33Å; I166-L194 HydrophobicContact CD1-CD2 3.87Å; I166-L194 HydrophobicContact CD1-CG 3.65Å; I166-I195 HydrophobicContact CD1-CG1 4.38Å; I166-I198 HydrophobicContact CD1-CD1 3.97Å; I166-I198 HydrophobicContact CG1-CD1 4.05Å; I166-I198 HydrophobicContact CG2-CD1 4.1Å; I166-I198 HydrophobicContact CG2-CG1 4Å; I166-F200 HydrophobicContact CG2-CE1 4.13Å; I166-F200 HydrophobicContact CG2-CZ 4.14Å
167	E	95.2	Very high	95.1	Very high	26 Å²	26	37.6 Å²	37.6	12%	0.121	19%	0.185	C	C	.	.	H	α-helix	trans	-64.5	-38.7	176.5	175.4	55.7	-161.9	0	0	112.1	S163 L164 L165 R170 R171	S163-E167 WeakPolarHBondContact O-CB 3.39Å; S163-E167 PolarHBondContact O-N 3.31Å; L164-E167 PolarHBondContact O-N 3.11Å; L165-E167 VanDerWaalsContact C-N 3.3Å; L165-E167 PolarHBondContact O-N 3.28Å; E167-R170 VanDerWaalsContact CD-NH2 3.31Å; E167-R170 PolarHBondContact O-N 2.64Å; E167-R170 IonicContact OE1-CZ 3.2Å; E167-R170 IonicContact OE1-NE 3.9Å; E167-R170 IonicContact OE1-NH2 3.52Å; E167-R170 PolarHBondContact OE1-NH2 3.11Å; E167-R170 IonicContact OE2-CZ 3.37Å; E167-R170 IonicContact OE2-NE 2.81Å; E167-R170 PolarHBondContact OE2-NE 2.91Å; E167-R170 IonicContact OE2-NH2 3.1Å; E167-R170 PolarHBondContact OE2-NH2 2.95Å; E167-R170 VanDerWaalsContact OE2-NH2 3.1Å; E167-R171 WeakPolarHBondContact O-CG 3.44Å; E167-R171 IonicContact OE1-CZ 3.25Å; E167-R171 VanDerWaalsContact OE1-CZ 3.25Å; E167-R171 IonicContact OE1-NE 2.85Å; E167-R171 PolarHBondContact OE1-NE 2.91Å; E167-R171 IonicContact OE1-NH2 2.8Å; E167-R171 PolarHBondContact OE1-NH2 2.92Å
168	S	96.4	Very high	95.3	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.007	17%	0.166	C	C	.	.	H	α-helix	trans	-65.9	-43.1	174.4	73.1	0	0	0	0	112	L164 L165 I166 R170 R171 T172 V295	L164-S168 PolarHBondContact O-N 2.69Å; L165-S168 PolarHBondContact O-N 3.38Å; L165-S168 VanDerWaalsContact O-N 3.13Å; L165-S168 PolarHBondContact O-OG 3.11Å; I166-S168 VanDerWaalsContact C-N 3.35Å; S168-R170 VanDerWaalsContact C-N 3.32Å; S168-R170 PolarHBondContact O-N 2.9Å; S168-R171 PolarHBondContact O-N 3.36Å; S168-R171 VanDerWaalsContact O-N 3.1Å; S168-T172 PolarHBondContact O-N 3.36Å; S168-T172 PolarHBondContact O-OG1 3.35Å; S168-V295 WeakPolarHBondContact OG-CG2 3.35Å; S168-V295 PolarHBondContact OG-N 2.71Å; S168-V295 VanDerWaalsContact OG-N 3.12Å
169	L	98.2	Very high	95.7	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.005	16%	0.157	C	C	.	.	H	α-helix	trans	-62.3	-37.7	176.1	-72.5	162.2	0	0	0	112.3	I151 I153 L165 I166 R171 T172 I175 I180 F200 V295	I151-L169 HydrophobicContact CD1-CD2 3.75Å; I153-L169 HydrophobicContact CD1-CD1 3.83Å; L165-L169 HydrophobicContact CD1-CD1 3.87Å; L165-L169 HydrophobicContact CD1-CG 4.08Å; L165-L169 HydrophobicContact CG-CD1 3.81Å; L165-L169 HydrophobicContact CG-CG 4.49Å; L165-L169 WeakPolarHBondContact O-CG 3.49Å; L165-L169 PolarHBondContact O-N 2.94Å; I166-L169 PolarHBondContact O-N 2.64Å; L169-R171 PolarHBondContact O-N 3.46Å; L169-T172 WeakPolarHBondContact O-CB 3.39Å; L169-T172 PolarHBondContact O-N 3.11Å; L169-T172 VanDerWaalsContact O-N 3.11Å; L169-I175 HydrophobicContact CD2-CD1 4.27Å; L169-I180 HydrophobicContact CB-CD1 4.44Å; L169-I180 HydrophobicContact CD1-CD1 4.09Å; L169-I180 HydrophobicContact CD2-CD1 4.33Å; L169-F200 HydrophobicContact CB-CE2 4.34Å; L169-F200 HydrophobicContact CB-CZ 4.43Å; L169-V295 HydrophobicContact CD2-CG2 3.86Å; L169-V295 HydrophobicContact CG-CG2 4.07Å
170	R	97.6	Very high	96	Very high	69 Å²	69	30.7 Å²	30.7	26%	0.26	15%	0.149	S	C	.	.	H	α-helix	trans	-59.9	-27.6	176.2	-171.1	179.8	71.4	73.9	5.6	112.7	I166 E167 S168 F200	I166-R170 WeakPolarHBondContact O-CB 3.31Å; I166-R170 PolarHBondContact O-N 3.42Å; E167-R170 VanDerWaalsContact CD-NH2 3.31Å; E167-R170 PolarHBondContact O-N 2.64Å; E167-R170 IonicContact OE1-CZ 3.2Å; E167-R170 IonicContact OE1-NE 3.9Å; E167-R170 IonicContact OE1-NH2 3.52Å; E167-R170 PolarHBondContact OE1-NH2 3.11Å; E167-R170 IonicContact OE2-CZ 3.37Å; E167-R170 IonicContact OE2-NE 2.81Å; E167-R170 PolarHBondContact OE2-NE 2.91Å; E167-R170 IonicContact OE2-NH2 3.1Å; E167-R170 PolarHBondContact OE2-NH2 2.95Å; E167-R170 VanDerWaalsContact OE2-NH2 3.1Å; S168-R170 VanDerWaalsContact C-N 3.32Å; S168-R170 PolarHBondContact O-N 2.9Å; R170-F200 HydrophobicContact CB-CD1 3.87Å; R170-F200 HydrophobicContact CB-CE1 3.62Å; R170-F200 HydrophobicContact CB-CE2 4.33Å; R170-F200 HydrophobicContact CB-CG 4.3Å; R170-F200 HydrophobicContact CB-CZ 3.88Å; R170-F200 HydrophobicContact CG-CB 4.47Å; R170-F200 HydrophobicContact CG-CD1 3.53Å; R170-F200 HydrophobicContact CG-CE1 3.81Å; R170-F200 HydrophobicContact CG-CG 3.98Å; R170-F200 HydrophobicContact CG-CZ 4.47Å
171	R	95.3	Very high	96.4	Very high	88 Å²	88	27 Å²	27	33%	0.332	13%	0.13	S	C	.	.	H	α-helix	trans	-90	-14.7	179.1	-61.8	176.5	-173.5	-163.5	4.2	113.2	E167 S168 L169 K173 E297	E167-R171 WeakPolarHBondContact O-CG 3.44Å; E167-R171 IonicContact OE1-CZ 3.25Å; E167-R171 VanDerWaalsContact OE1-CZ 3.25Å; E167-R171 IonicContact OE1-NE 2.85Å; E167-R171 PolarHBondContact OE1-NE 2.91Å; E167-R171 IonicContact OE1-NH2 2.8Å; E167-R171 PolarHBondContact OE1-NH2 2.92Å; S168-R171 PolarHBondContact O-N 3.36Å; S168-R171 VanDerWaalsContact O-N 3.1Å; L169-R171 PolarHBondContact O-N 3.46Å; R171-K173 PolarHBondContact O-N 3.34Å; R171-E297 HydrophobicContact CB-CG 3.89Å
172	T	97.2	Very high	96.8	Very high	4 Å²	4	26.2 Å²	26.2	3%	0.025	13%	0.127	C	C	.	.	S	Bend	trans	-64.2	126	179.3	-61.4	0	0	0	0	111.3	S168 L169 I175 E297 I299 L300	S168-T172 PolarHBondContact O-N 3.36Å; S168-T172 PolarHBondContact O-OG1 3.35Å; L169-T172 WeakPolarHBondContact O-CB 3.39Å; L169-T172 PolarHBondContact O-N 3.11Å; L169-T172 VanDerWaalsContact O-N 3.11Å; T172-I175 HydrophobicContact CG2-CD1 4.49Å; T172-I175 VanDerWaalsContact O-CB 3.31Å; T172-I175 WeakPolarHBondContact O-CB 3.33Å; T172-I175 VanDerWaalsContact O-CG2 3.22Å; T172-I175 WeakPolarHBondContact O-CG2 3.48Å; T172-I175 PolarHBondContact O-N 2.98Å; T172-E297 WeakPolarHBondContact CA-O 3.48Å; T172-I299 HydrophobicContact CG2-CG2 3.63Å; T172-L300 HydrophobicContact CG2-CB 4.35Å; T172-L300 HydrophobicContact CG2-CD1 3.82Å; T172-L300 HydrophobicContact CG2-CG 3.68Å
173	K	95.4	Very high	96.9	Very high	139 Å²	139	26.2 Å²	26.2	60%	0.604	13%	0.127	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72	134.4	179.5	-174.5	176.2	-178.7	179.5	0	110.9	R171 I175 E297 Y440	R171-K173 PolarHBondContact O-N 3.34Å; K173-I175 VanDerWaalsContact C-N 3.32Å; K173-E297 PolarHBondContact N-O 2.87Å; K173-Y440 HydrophobicContact CB-CE1 3.9Å; K173-Y440 WeakPolarHBondContact CB-OH 3.48Å; K173-Y440 HydrophobicContact CD-CD1 4.44Å; K173-Y440 HydrophobicContact CD-CE1 3.7Å; K173-Y440 HydrophobicContact CG-CE1 4.39Å
174	G	96.1	Very high	97.1	Very high	20 Å²	20	24.6 Å²	24.6	21%	0.206	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.2	0.3	-179	0	0	0	0	0	114.3	E176 T177	G174-E176 WeakPolarHBondContact CA-OE1 3.46Å; G174-E176 WeakPolarHBondContact CA-OE2 3.47Å; G174-E176 PolarHBondContact N-OE2 3.15Å; G174-E176 PolarHBondContact O-N 3.19Å; G174-T177 PolarHBondContact O-N 2.94Å; G174-T177 PolarHBondContact O-OG1 2.79Å; G174-T177 VanDerWaalsContact O-OG1 3.11Å
175	I	97.9	Very high	97.3	Very high	6 Å²	6	23.7 Å²	23.7	3%	0.031	11%	0.111	C	C	.	.	G	3₁₀ helix	trans	-62.2	-24.6	-176.5	-161.9	66.4	0	0	0	112.9	I151 L169 T172 K173 T177 A178 I180 F200 T201 L300	I151-I175 HydrophobicContact CD1-CD1 3.97Å; L169-I175 HydrophobicContact CD2-CD1 4.27Å; T172-I175 HydrophobicContact CG2-CD1 4.49Å; T172-I175 VanDerWaalsContact O-CB 3.31Å; T172-I175 WeakPolarHBondContact O-CB 3.33Å; T172-I175 VanDerWaalsContact O-CG2 3.22Å; T172-I175 WeakPolarHBondContact O-CG2 3.48Å; T172-I175 PolarHBondContact O-N 2.98Å; K173-I175 VanDerWaalsContact C-N 3.32Å; I175-T177 PolarHBondContact O-N 2.67Å; I175-T177 VanDerWaalsContact O-N 3.15Å; I175-A178 HydrophobicContact CD1-CB 4.03Å; I175-A178 VanDerWaalsContact O-CB 3.3Å; I175-A178 WeakPolarHBondContact O-CB 3.39Å; I175-A178 PolarHBondContact O-N 3.48Å; I175-I180 HydrophobicContact CD1-CD1 4.07Å; I175-I180 HydrophobicContact CG1-CD1 4.34Å; I175-F200 HydrophobicContact CG1-CD2 4.29Å; I175-F200 HydrophobicContact CG1-CE2 4.25Å; I175-F200 HydrophobicContact CG2-CD2 4.01Å; I175-T201 HydrophobicContact CG1-CG2 4.46Å; I175-T201 VanDerWaalsContact O-CB 3.22Å; I175-T201 WeakPolarHBondContact O-CB 3.29Å; I175-T201 PolarHBondContact O-OG1 3.02Å; I175-L300 HydrophobicContact CB-CD1 4.41Å; I175-L300 HydrophobicContact CD1-CD1 3.9Å
176	E	97.2	Very high	97.2	Very high	88 Å²	88	26.6 Å²	26.6	41%	0.411	12%	0.124	S	C	.	.	G	3₁₀ helix	trans	-59.8	-26.6	-178.9	68.8	-73.7	170.2	0	0	113.5	Y131 G174 F200	Y131-E176 HydrophobicContact CD1-CB 4.26Å; Y131-E176 WeakPolarHBondContact CD1-O 3.43Å; Y131-E176 HydrophobicContact CE1-CB 3.71Å; G174-E176 WeakPolarHBondContact CA-OE1 3.46Å; G174-E176 WeakPolarHBondContact CA-OE2 3.47Å; G174-E176 PolarHBondContact N-OE2 3.15Å; G174-E176 PolarHBondContact O-N 3.19Å; E176-F200 WeakPolarHBondContact CA-O 3.47Å
177	T	95.1	Very high	97.1	Very high	42 Å²	42	27.1 Å²	27.1	26%	0.258	13%	0.126	S	C	.	.	G	3₁₀ helix	trans	-96.8	-3.9	178.5	61.4	0	0	0	0	113.9	N148 G174 I175 R202	N148-T177 WeakPolarHBondContact CB-OG1 3.4Å; N148-T177 PolarHBondContact N-O 3.22Å; N148-T177 WeakPolarHBondContact ND2-CB 3.25Å; N148-T177 PolarHBondContact ND2-OG1 2.97Å; G174-T177 PolarHBondContact O-N 2.94Å; G174-T177 PolarHBondContact O-OG1 2.79Å; G174-T177 VanDerWaalsContact O-OG1 3.11Å; I175-T177 PolarHBondContact O-N 2.67Å; I175-T177 VanDerWaalsContact O-N 3.15Å; T177-R202 PolarHBondContact O-NH1 3.27Å
178	A	98.1	Very high	97	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.126	C	C	.	.			trans	-77	170.3	179.1	0	0	0	0	0	112.4	H149 I175 T201	H149-A178 HydrophobicContact CB-CB 4.04Å; H149-A178 CarbonylContact O-C 3.57Å; H149-A178 VanDerWaalsContact O-CA 3.3Å; H149-A178 WeakPolarHBondContact O-CA 3.37Å; I175-A178 HydrophobicContact CD1-CB 4.03Å; I175-A178 VanDerWaalsContact O-CB 3.3Å; I175-A178 WeakPolarHBondContact O-CB 3.39Å; I175-A178 PolarHBondContact O-N 3.48Å; A178-T201 PolarHBondContact O-OG1 2.94Å; A178-T201 VanDerWaalsContact O-OG1 3.11Å
179	L	98.6	Very high	96.8	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	123.3	164.4	176.6	65	0	0	0	108.5	V125 L134 P147 H149 V150 I151 I181 R202 V204 F276 P278 T279	V125-L179 HydrophobicContact CG1-CD1 4.16Å; L134-L179 HydrophobicContact CD1-CB 4.47Å; L134-L179 HydrophobicContact CD1-CD1 4.1Å; L134-L179 HydrophobicContact CD1-CD2 3.9Å; L134-L179 HydrophobicContact CD1-CG 4.39Å; P147-L179 HydrophobicContact CB-CB 3.74Å; P147-L179 HydrophobicContact CG-CB 3.82Å; P147-L179 HydrophobicContact CG-CD2 4.34Å; H149-L179 PolarHBondContact O-N 3.32Å; V150-L179 WeakPolarHBondContact CA-O 3.33Å; I151-L179 PolarHBondContact N-O 2.67Å; L179-I181 HydrophobicContact CD2-CD1 4.11Å; L179-I181 HydrophobicContact CD2-CG1 4.17Å; L179-I181 HydrophobicContact CG-CD1 4.45Å; L179-I181 HydrophobicContact CG-CG1 4.04Å; L179-R202 HydrophobicContact CD1-CB 3.87Å; L179-V204 HydrophobicContact CD1-CG2 3.89Å; L179-F276 HydrophobicContact CD2-CE1 4.08Å; L179-P278 HydrophobicContact CD2-CB 3.95Å; L179-T279 HydrophobicContact CD2-CG2 3.97Å
180	I	98.8	Very high	96.5	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.005	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	120.9	175.5	-50.7	-172.2	0	0	0	109.6	I151 I153 L169 I175 F182 F200 T201 R202 T203 V204	I151-I180 HydrophobicContact CB-CG1 4.48Å; I151-I180 HydrophobicContact CD1-CG1 4.47Å; I151-I180 WeakPolarHBondContact O-CA 3.32Å; I153-I180 HydrophobicContact CD1-CG2 3.46Å; I153-I180 VanDerWaalsContact CD1-CG2 3.46Å; I153-I180 HydrophobicContact CG1-CG2 4.15Å; L169-I180 HydrophobicContact CB-CD1 4.44Å; L169-I180 HydrophobicContact CD1-CD1 4.09Å; L169-I180 HydrophobicContact CD2-CD1 4.33Å; I175-I180 HydrophobicContact CD1-CD1 4.07Å; I175-I180 HydrophobicContact CG1-CD1 4.34Å; I180-F182 HydrophobicContact CB-CE2 4.18Å; I180-F182 HydrophobicContact CG2-CD2 4.15Å; I180-F182 HydrophobicContact CG2-CE1 4.31Å; I180-F182 HydrophobicContact CG2-CE2 3.57Å; I180-F182 HydrophobicContact CG2-CZ 3.66Å; I180-F200 HydrophobicContact CD1-CE2 4.45Å; I180-T201 HydrophobicContact CD1-CG2 3.59Å; I180-T201 HydrophobicContact CG1-CG2 3.84Å; I180-R202 PolarHBondContact N-O 3.4Å; I180-T203 HydrophobicContact CB-CG2 4.42Å; I180-T203 CarbonylContact O-C 3.59Å; I180-T203 VanDerWaalsContact O-CA 3.22Å; I180-T203 WeakPolarHBondContact O-CA 3.38Å; I180-V204 PolarHBondContact O-N 3.46Å
181	I	98.8	Very high	96.3	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	111	-178.4	-55.7	166.5	0	0	0	107.7	V150 I151 I152 I153 L179 V204 I206 V272 F276 T279	V150-I181 HydrophobicContact CG1-CD1 3.88Å; I151-I181 PolarHBondContact O-N 3.35Å; I152-I181 CarbonylContact C-O 3.59Å; I152-I181 WeakPolarHBondContact CA-O 3.17Å; I152-I181 HydrophobicContact CG1-CD1 4.48Å; I153-I181 PolarHBondContact N-O 3.11Å; L179-I181 HydrophobicContact CD2-CD1 4.11Å; L179-I181 HydrophobicContact CD2-CG1 4.17Å; L179-I181 HydrophobicContact CG-CD1 4.45Å; L179-I181 HydrophobicContact CG-CG1 4.04Å; I181-V204 WeakPolarHBondContact CA-O 3.38Å; I181-I206 HydrophobicContact CG2-CD1 3.82Å; I181-I206 HydrophobicContact CG2-CG1 4.01Å; I181-I206 HydrophobicContact CG2-CG2 4.22Å; I181-V272 HydrophobicContact CD1-CB 4.4Å; I181-V272 HydrophobicContact CD1-CG1 3.5Å; I181-V272 VanDerWaalsContact CD1-CG1 3.5Å; I181-V272 HydrophobicContact CD1-CG2 3.93Å; I181-V272 HydrophobicContact CG2-CG2 3.97Å; I181-F276 HydrophobicContact CD1-CD1 4.07Å; I181-F276 HydrophobicContact CD1-CE1 3.71Å; I181-F276 HydrophobicContact CG1-CE1 4.24Å; I181-T279 HydrophobicContact CD1-CG2 4.09Å
182	F	98.8	Very high	96.3	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	116.7	173.1	-61.2	-91	0	0	0	108.6	I153 V155 L162 I166 I180 H184 I195 I198 T203 V204 Q205 I206	I153-F182 HydrophobicContact CB-CD1 4.16Å; I153-F182 HydrophobicContact CD1-CD1 3.95Å; I153-F182 HydrophobicContact CD1-CE1 3.51Å; I153-F182 HydrophobicContact CD1-CZ 4Å; I153-F182 HydrophobicContact CG2-CD1 4.38Å; V155-F182 HydrophobicContact CG2-CB 4.28Å; V155-F182 HydrophobicContact CG2-CD1 4Å; L162-F182 HydrophobicContact CD1-CD1 4.18Å; L162-F182 HydrophobicContact CD1-CE1 3.95Å; I166-F182 HydrophobicContact CD1-CE1 4.32Å; I166-F182 HydrophobicContact CD1-CZ 4.44Å; I166-F182 HydrophobicContact CG1-CE1 4.23Å; I166-F182 HydrophobicContact CG1-CZ 4.24Å; I180-F182 HydrophobicContact CB-CE2 4.18Å; I180-F182 HydrophobicContact CG2-CD2 4.15Å; I180-F182 HydrophobicContact CG2-CE1 4.31Å; I180-F182 HydrophobicContact CG2-CE2 3.57Å; I180-F182 HydrophobicContact CG2-CZ 3.66Å; F182-H184 WeakPolarHBondContact CB-NE2 3.48Å; F182-H184 PolarHBondContact O-CD2 3.32Å; F182-I195 HydrophobicContact CB-CD1 3.73Å; F182-I195 HydrophobicContact CD1-CD1 3.67Å; F182-I195 HydrophobicContact CD1-CG1 3.88Å; F182-I195 HydrophobicContact CD2-CD1 4.13Å; F182-I195 HydrophobicContact CD2-CG1 4.12Å; F182-I195 HydrophobicContact CD2-CG2 3.6Å; F182-I195 HydrophobicContact CE1-CD1 4.29Å; F182-I195 HydrophobicContact CE1-CG1 3.99Å; F182-I195 HydrophobicContact CE2-CG1 4.23Å; F182-I195 HydrophobicContact CE2-CG2 3.76Å; F182-I195 HydrophobicContact CG-CD1 3.57Å; F182-I195 HydrophobicContact CG-CG1 3.95Å; F182-I195 HydrophobicContact CG-CG2 4.2Å; F182-I195 HydrophobicContact CZ-CG1 4.17Å; F182-I195 HydrophobicContact CZ-CG2 4.45Å; F182-I198 HydrophobicContact CE2-CD1 3.75Å; F182-I198 HydrophobicContact CZ-CD1 3.52Å; F182-T203 HydrophobicContact CE2-CG2 3.97Å; F182-V204 PolarHBondContact N-O 2.95Å; F182-Q205 HydrophobicContact CB-CG 4.35Å; F182-Q205 WeakPolarHBondContact O-CA 3.33Å; F182-I206 PolarHBondContact O-N 3.16Å
183	S	98.7	Very high	96.2	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	111.8	179.7	-174.2	0	0	0	0	109.6	I153 V155 I206 H264 W267 K268	I153-S183 PolarHBondContact O-N 3.02Å; V155-S183 PolarHBondContact N-O 2Å; S183-I206 CarbonylContact C-O 3.55Å; S183-I206 WeakPolarHBondContact CA-O 3.33Å; S183-H264 PolarHBondContact O-CE1 3.38Å; S183-H264 PolarHBondContact O-NE2 3.27Å; S183-H264 PolarHBondContact OG-CD2 3.15Å; S183-H264 PolarHBondContact OG-NE2 2.87Å; S183-W267 WeakPolarHBondContact OG-CZ3 3.29Å; S183-K268 WeakPolarHBondContact OG-CB 3.49Å
184	H	98.4	Very high	96.2	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	136.7	-171.6	-63.3	-95.7	0	0	0	111.5	V155 F182 I195 I206 F207 Y208	V155-H184 WeakPolarHBondContact O-CA 3.45Å; F182-H184 WeakPolarHBondContact CB-NE2 3.48Å; F182-H184 PolarHBondContact O-CD2 3.32Å; H184-I195 WeakPolarHBondContact CE1-CD1 3.07Å; H184-I195 WeakPolarHBondContact NE2-CD1 3.1Å; H184-I206 PolarHBondContact CD2-O 2.59Å; H184-I206 PolarHBondContact N-O 3.33Å; H184-F207 HydrophobicContact CB-CD1 3.47Å; H184-F207 VanDerWaalsContact CB-CD1 3.47Å; H184-F207 HydrophobicContact CB-CE1 3.63Å; H184-F207 HydrophobicContact CB-CG 4.18Å; H184-F207 HydrophobicContact CB-CZ 4.48Å; H184-F207 AromaticContact CG-CE1 3.76Å; H184-F207 CarbonylContact O-C 3.57Å; H184-F207 WeakPolarHBondContact O-CA 3.29Å; H184-Y208 WeakPolarHBondContact O-CB 3.37Å; H184-Y208 PolarHBondContact O-N 3.01Å
185	D	96.9	Very high	96.3	Very high	7 Å²	7	26.1 Å²	26.1	4%	0.037	14%	0.136	C	C	.	.	S	Bend	trans	-107.1	0.5	161	57.7	25.6	0	0	0	113	V155 H156 Y208 S211 Q260 H264	V155-D185 PolarHBondContact O-N 2.77Å; H156-D185 WeakPolarHBondContact CA-OD1 3.45Å; H156-D185 IonicContact CE1-OD1 3.05Å; H156-D185 IonicContact CG-OD1 3.65Å; H156-D185 IonicContact ND1-OD1 3.46Å; H156-D185 PolarHBondContact ND1-OD1 3.2Å; H156-D185 IonicContact ND1-OD2 3.85Å; D185-Y208 HydrophobicContact CB-CD1 4.08Å; D185-S211 WeakPolarHBondContact O-CB 3.46Å; D185-S211 PolarHBondContact O-OG 2.85Å; D185-Q260 HydrophobicContact CB-CG 4.31Å; D185-Q260 PolarHBondContact OD2-NE2 2.98Å; D185-H264 WeakPolarHBondContact CB-ND1 3.47Å; D185-H264 VanDerWaalsContact CG-ND1 3.3Å; D185-H264 PolarHBondContact N-CE1 3.43Å; D185-H264 IonicContact OD2-CE1 3.14Å; D185-H264 IonicContact OD2-CG 2.75Å; D185-H264 IonicContact OD2-ND1 2.69Å; D185-H264 PolarHBondContact OD2-ND1 2.89Å
186	F	95.7	Very high	96.1	Very high	60 Å²	60	26 Å²	26	26%	0.263	14%	0.136	S	C	.	.	S	Bend	trans	-138	125	175.3	-170.2	-91.3	0	0	0	110.3	H156 N157 Q213	H156-F186 WeakPolarHBondContact O-CB 3.3Å; N157-F186 HydrophobicContact CB-CD1 4.02Å; N157-F186 HydrophobicContact CB-CE1 4.5Å; N157-F186 HydrophobicContact CB-CG 4.34Å; F186-Q213 HydrophobicContact CD2-CB 4.16Å; F186-Q213 HydrophobicContact CD2-CG 4.09Å; F186-Q213 HydrophobicContact CE2-CG 4.1Å
187	Y	95	Very high	96.1	Very high	18 Å²	18	24.6 Å²	24.6	7%	0.071	14%	0.136	C	C	.	.			trans	-79.6	126.6	171.9	-176.9	-82.2	0	0	0	110.1	F106 L112 Y115 D189 N192 F207 Q213	F106-Y187 HydrophobicContact CB-CE1 4.26Å; F106-Y187 AromaticContact CD2-CE1 3.79Å; F106-Y187 HydrophobicContact CD2-CE1 3.79Å; F106-Y187 HydrophobicContact CD2-CE2 4.27Å; F106-Y187 AromaticContact CD2-CZ 3.46Å; F106-Y187 VanDerWaalsContact CD2-CZ 3.46Å; F106-Y187 WeakPolarHBondContact CD2-OH 3.41Å; F106-Y187 HydrophobicContact CE2-CE2 4.32Å; F106-Y187 AromaticContact CE2-CZ 3.76Å; F106-Y187 WeakPolarHBondContact CE2-OH 3.44Å; F106-Y187 HydrophobicContact CG-CE1 4.19Å; L112-Y187 HydrophobicContact CD1-CD1 4.24Å; L112-Y187 HydrophobicContact CD1-CD2 3.75Å; L112-Y187 HydrophobicContact CD1-CE2 4.5Å; L112-Y187 HydrophobicContact CD1-CG 3.6Å; Y115-Y187 HydrophobicContact CD1-CD2 4.11Å; Y115-Y187 AromaticContact CD1-CE2 3.95Å; Y115-Y187 HydrophobicContact CD1-CE2 3.95Å; Y115-Y187 AromaticContact CE1-CD2 3.72Å; Y115-Y187 HydrophobicContact CE1-CD2 3.72Å; Y115-Y187 AromaticContact CE1-CE2 3.4Å; Y115-Y187 HydrophobicContact CE1-CE2 3.4Å; Y115-Y187 VanDerWaalsContact CE1-CE2 3.4Å; Y115-Y187 AromaticContact CZ-CE2 3.84Å; Y187-D189 WeakPolarHBondContact CE1-OD1 3.22Å; Y187-D189 PolarHBondContact OH-OD1 2.61Å; Y187-N192 WeakPolarHBondContact CD2-ND2 3.19Å; Y187-N192 WeakPolarHBondContact CE2-ND2 3.47Å; Y187-N192 PolarHBondContact OH-ND2 3.23Å; Y187-F207 AromaticContact CD2-CE1 3.86Å; Y187-F207 HydrophobicContact CD2-CE1 3.86Å; Y187-F207 HydrophobicContact CD2-CZ 4.19Å; Y187-Q213 PolarHBondContact O-NE2 3.07Å
188	S	92.9	Very high	96.2	Very high	19 Å²	19	22.7 Å²	22.7	13%	0.133	12%	0.124	C	C	.	.			trans	-145.2	128.8	174.5	169.8	0	0	0	0	109.8	E190 L191 N192	S188-E190 PolarHBondContact O-N 2.86Å; S188-E190 PolarHBondContact OG-N 3.05Å; S188-L191 PolarHBondContact O-N 2.83Å; S188-N192 WeakPolarHBondContact O-CB 3.4Å; S188-N192 PolarHBondContact O-N 3.31Å; S188-N192 PolarHBondContact O-ND2 3.16Å; S188-N192 VanDerWaalsContact O-ND2 3.11Å
189	D	91.5	Very high	96.2	Very high	107 Å²	107	29.3 Å²	29.3	57%	0.572	15%	0.149	S	C	*	.	H	α-helix	trans	-58	-32.6	175.4	-70.5	-25.9	0	0	0	111.9	Y187 S193	Y187-D189 WeakPolarHBondContact CE1-OD1 3.22Å; Y187-D189 PolarHBondContact OH-OD1 2.61Å; D189-S193 WeakPolarHBondContact O-CB 3.49Å; D189-S193 PolarHBondContact O-N 3.39Å; D189-S193 PolarHBondContact O-OG 3.37Å
190	E	92.4	Very high	96.1	Very high	117 Å²	117	31 Å²	31	55%	0.547	16%	0.157	S	C	.	.	H	α-helix	trans	-65.9	-50	177.3	-173.5	-178.3	167.6	0	0	111.3	S159 S188 S193 L194	S159-E190 WeakPolarHBondContact CB-OE1 3.38Å; S159-E190 PolarHBondContact OG-OE1 3.45Å; S188-E190 PolarHBondContact O-N 2.86Å; S188-E190 PolarHBondContact OG-N 3.05Å; E190-S193 PolarHBondContact O-N 3.41Å; E190-L194 WeakPolarHBondContact O-CB 3.24Å; E190-L194 PolarHBondContact O-N 3.31Å
191	L	94.3	Very high	96.1	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-63.4	-45.1	177.6	-59.6	173.7	0	0	0	110.9	V155 H156 L162 S188 S193 L194 I195	V155-L191 HydrophobicContact CG1-CD1 4.05Å; H156-L191 WeakPolarHBondContact O-CD1 3.07Å; L162-L191 HydrophobicContact CD2-CD2 3.76Å; S188-L191 PolarHBondContact O-N 2.83Å; L191-S193 VanDerWaalsContact C-N 3.32Å; L191-S193 PolarHBondContact O-N 2.69Å; L191-L194 WeakPolarHBondContact O-CB 3.28Å; L191-L194 PolarHBondContact O-N 3.07Å; L191-I195 PolarHBondContact O-N 2.97Å
192	N	95.1	Very high	96.1	Very high	6 Å²	6	32.1 Å²	32.1	3%	0.032	16%	0.161	C	C	.	.	H	α-helix	trans	-63.1	-38.6	179.2	-67.9	-28.3	0	0	0	111.6	Y187 S188 G196 Q205	Y187-N192 WeakPolarHBondContact CD2-ND2 3.19Å; Y187-N192 WeakPolarHBondContact CE2-ND2 3.47Å; Y187-N192 PolarHBondContact OH-ND2 3.23Å; S188-N192 WeakPolarHBondContact O-CB 3.4Å; S188-N192 PolarHBondContact O-N 3.31Å; S188-N192 PolarHBondContact O-ND2 3.16Å; S188-N192 VanDerWaalsContact O-ND2 3.11Å; N192-G196 VanDerWaalsContact O-CA 3.27Å; N192-G196 WeakPolarHBondContact O-CA 3.44Å; N192-G196 PolarHBondContact O-N 2.82Å; N192-Q205 PolarHBondContact OD1-OE1 3.31Å
193	S	94.8	Very high	96.1	Very high	49 Å²	49	32.3 Å²	32.3	34%	0.343	16%	0.162	S	C	.	.	H	α-helix	trans	-68.2	-40.4	175.8	-63.5	0	0	0	0	111.5	D189 E190 L191 G196 S197	D189-S193 WeakPolarHBondContact O-CB 3.49Å; D189-S193 PolarHBondContact O-N 3.39Å; D189-S193 PolarHBondContact O-OG 3.37Å; E190-S193 PolarHBondContact O-N 3.41Å; L191-S193 VanDerWaalsContact C-N 3.32Å; L191-S193 PolarHBondContact O-N 2.69Å; S193-G196 CarbonylContact O-C 3.59Å; S193-G196 WeakPolarHBondContact O-CA 3.11Å; S193-G196 PolarHBondContact O-N 3Å; S193-S197 PolarHBondContact O-N 2.75Å
194	L	95.2	Very high	96	Very high	27 Å²	27	32.3 Å²	32.3	14%	0.141	16%	0.162	C	C	.	.	H	α-helix	trans	-60.8	-51.8	177.1	180	64.8	0	0	0	111.2	L162 I166 E190 L191 G196 S197	L162-L194 HydrophobicContact CB-CD2 4.16Å; L162-L194 HydrophobicContact CD2-CD2 4.03Å; L162-L194 HydrophobicContact CG-CD2 3.92Å; I166-L194 HydrophobicContact CD1-CD1 4.33Å; I166-L194 HydrophobicContact CD1-CD2 3.87Å; I166-L194 HydrophobicContact CD1-CG 3.65Å; E190-L194 WeakPolarHBondContact O-CB 3.24Å; E190-L194 PolarHBondContact O-N 3.31Å; L191-L194 WeakPolarHBondContact O-CB 3.28Å; L191-L194 PolarHBondContact O-N 3.07Å; L194-G196 VanDerWaalsContact C-N 3.31Å; L194-G196 PolarHBondContact O-N 2.89Å; L194-S197 WeakPolarHBondContact O-CB 3.36Å; L194-S197 PolarHBondContact O-N 3.12Å; L194-S197 VanDerWaalsContact O-N 3.15Å; L194-S197 PolarHBondContact O-OG 2.97Å
195	I	97.1	Very high	96	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.005	17%	0.168	C	C	.	.	H	α-helix	trans	-66	-38.1	175.6	-65.3	161.8	0	0	0	110.9	K126 L162 I166 F182 H184 L191 S197 I198 Q205	K126-I195 PolarHBondContact NZ-O 3.19Å; L162-I195 HydrophobicContact CD2-CD1 4.25Å; L162-I195 HydrophobicContact CD2-CG1 4.37Å; I166-I195 HydrophobicContact CD1-CG1 4.38Å; F182-I195 HydrophobicContact CB-CD1 3.73Å; F182-I195 HydrophobicContact CD1-CD1 3.67Å; F182-I195 HydrophobicContact CD1-CG1 3.88Å; F182-I195 HydrophobicContact CD2-CD1 4.13Å; F182-I195 HydrophobicContact CD2-CG1 4.12Å; F182-I195 HydrophobicContact CD2-CG2 3.6Å; F182-I195 HydrophobicContact CE1-CD1 4.29Å; F182-I195 HydrophobicContact CE1-CG1 3.99Å; F182-I195 HydrophobicContact CE2-CG1 4.23Å; F182-I195 HydrophobicContact CE2-CG2 3.76Å; F182-I195 HydrophobicContact CG-CD1 3.57Å; F182-I195 HydrophobicContact CG-CG1 3.95Å; F182-I195 HydrophobicContact CG-CG2 4.2Å; F182-I195 HydrophobicContact CZ-CG1 4.17Å; F182-I195 HydrophobicContact CZ-CG2 4.45Å; H184-I195 WeakPolarHBondContact CE1-CD1 3.07Å; H184-I195 WeakPolarHBondContact NE2-CD1 3.1Å; L191-I195 PolarHBondContact O-N 2.97Å; I195-S197 PolarHBondContact O-N 2.73Å; I195-S197 VanDerWaalsContact O-N 3.11Å; I195-I198 HydrophobicContact CG2-CD1 4.34Å; I195-I198 WeakPolarHBondContact O-CB 3.37Å; I195-I198 WeakPolarHBondContact O-CG1 3.32Å; I195-I198 PolarHBondContact O-N 2.86Å; I195-Q205 HydrophobicContact CD1-CG 4.31Å; I195-Q205 HydrophobicContact CG2-CG 3.73Å
196	G	95.2	Very high	96.1	Very high	4 Å²	4	33.3 Å²	33.3	4%	0.041	17%	0.166	C	C	.	.	H	α-helix	trans	-55	-21.4	171.4	0	0	0	0	0	115	T96 K126 N192 S193 L194	T96-G196 WeakPolarHBondContact CG2-O 3.39Å; K126-G196 WeakPolarHBondContact CE-O 3.13Å; K126-G196 PolarHBondContact NZ-O 3.49Å; N192-G196 VanDerWaalsContact O-CA 3.27Å; N192-G196 WeakPolarHBondContact O-CA 3.44Å; N192-G196 PolarHBondContact O-N 2.82Å; S193-G196 CarbonylContact O-C 3.59Å; S193-G196 WeakPolarHBondContact O-CA 3.11Å; S193-G196 PolarHBondContact O-N 3Å; L194-G196 VanDerWaalsContact C-N 3.31Å; L194-G196 PolarHBondContact O-N 2.89Å
197	S	95.9	Very high	96.1	Very high	58 Å²	58	30.5 Å²	30.5	41%	0.406	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-13.3	176.9	76.8	0	0	0	0	114.1	S193 L194 I195 R199	S193-S197 PolarHBondContact O-N 2.75Å; L194-S197 WeakPolarHBondContact O-CB 3.36Å; L194-S197 PolarHBondContact O-N 3.12Å; L194-S197 VanDerWaalsContact O-N 3.15Å; L194-S197 PolarHBondContact O-OG 2.97Å; I195-S197 PolarHBondContact O-N 2.73Å; I195-S197 VanDerWaalsContact O-N 3.11Å; S197-R199 PolarHBondContact O-N 3.34Å
198	I	98.1	Very high	96.3	Very high	3 Å²	3	29.8 Å²	29.8	2%	0.015	15%	0.151	C	C	.	.			trans	-67.5	125.5	-173.6	-62.7	170.5	0	0	0	110.9	K126 N127 I166 F182 I195 F200 T201 T203	K126-I198 PolarHBondContact NZ-O 3.1Å; N127-I198 PolarHBondContact ND2-O 2.77Å; I166-I198 HydrophobicContact CD1-CD1 3.97Å; I166-I198 HydrophobicContact CG1-CD1 4.05Å; I166-I198 HydrophobicContact CG2-CD1 4.1Å; I166-I198 HydrophobicContact CG2-CG1 4Å; F182-I198 HydrophobicContact CE2-CD1 3.75Å; F182-I198 HydrophobicContact CZ-CD1 3.52Å; I195-I198 HydrophobicContact CG2-CD1 4.34Å; I195-I198 WeakPolarHBondContact O-CB 3.37Å; I195-I198 WeakPolarHBondContact O-CG1 3.32Å; I195-I198 PolarHBondContact O-N 2.86Å; I198-F200 HydrophobicContact CB-CE1 4.36Å; I198-F200 HydrophobicContact CG1-CE1 4.21Å; I198-F200 HydrophobicContact CG1-CZ 4.41Å; I198-F200 HydrophobicContact CG2-CD1 3.92Å; I198-F200 HydrophobicContact CG2-CD2 4.35Å; I198-F200 HydrophobicContact CG2-CE1 3.66Å; I198-F200 HydrophobicContact CG2-CE2 4.09Å; I198-F200 HydrophobicContact CG2-CG 4.28Å; I198-F200 HydrophobicContact CG2-CZ 3.74Å; I198-T201 HydrophobicContact CG2-CG2 4.16Å; I198-T203 HydrophobicContact CB-CG2 4.01Å; I198-T203 HydrophobicContact CD1-CG2 4.06Å; I198-T203 HydrophobicContact CG2-CG2 3.55Å
199	R	97.4	Very high	96.4	Very high	139 Å²	139	29.2 Å²	29.2	53%	0.525	15%	0.147	S	C	.	.			trans	-128.2	0.4	178.3	-70.4	-61	-130.4	-167.3	2.5	114.7	N127 Y131 S197	N127-R199 VanDerWaalsContact OD1-CD 3.24Å; N127-R199 WeakPolarHBondContact OD1-CD 3.28Å; N127-R199 PolarHBondContact OD1-NH1 3.28Å; Y131-R199 PolarHBondContact OH-O 3.44Å; S197-R199 PolarHBondContact O-N 3.34Å
200	F	97.8	Very high	96.6	Very high	36 Å²	36	24.2 Å²	24.2	16%	0.158	12%	0.12	C	C	.	.	S	Bend	trans	-93.8	-2	-174.3	57.8	-101.6	0	0	0	114.2	Y131 I166 L169 R170 I175 E176 I180 I198	Y131-F200 VanDerWaalsContact CZ-C 3.49Å; Y131-F200 WeakPolarHBondContact OH-CA 3.38Å; Y131-F200 PolarHBondContact OH-O 2.83Å; I166-F200 HydrophobicContact CG2-CE1 4.13Å; I166-F200 HydrophobicContact CG2-CZ 4.14Å; L169-F200 HydrophobicContact CB-CE2 4.34Å; L169-F200 HydrophobicContact CB-CZ 4.43Å; R170-F200 HydrophobicContact CB-CD1 3.87Å; R170-F200 HydrophobicContact CB-CE1 3.62Å; R170-F200 HydrophobicContact CB-CE2 4.33Å; R170-F200 HydrophobicContact CB-CG 4.3Å; R170-F200 HydrophobicContact CB-CZ 3.88Å; R170-F200 HydrophobicContact CG-CB 4.47Å; R170-F200 HydrophobicContact CG-CD1 3.53Å; R170-F200 HydrophobicContact CG-CE1 3.81Å; R170-F200 HydrophobicContact CG-CG 3.98Å; R170-F200 HydrophobicContact CG-CZ 4.47Å; I175-F200 HydrophobicContact CG1-CD2 4.29Å; I175-F200 HydrophobicContact CG1-CE2 4.25Å; I175-F200 HydrophobicContact CG2-CD2 4.01Å; E176-F200 WeakPolarHBondContact CA-O 3.47Å; I180-F200 HydrophobicContact CD1-CE2 4.45Å; I198-F200 HydrophobicContact CB-CE1 4.36Å; I198-F200 HydrophobicContact CG1-CE1 4.21Å; I198-F200 HydrophobicContact CG1-CZ 4.41Å; I198-F200 HydrophobicContact CG2-CD1 3.92Å; I198-F200 HydrophobicContact CG2-CD2 4.35Å; I198-F200 HydrophobicContact CG2-CE1 3.66Å; I198-F200 HydrophobicContact CG2-CE2 4.09Å; I198-F200 HydrophobicContact CG2-CG 4.28Å; I198-F200 HydrophobicContact CG2-CZ 3.74Å
201	T	98.4	Very high	96.8	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.095	C	C	.	.	S	Bend	trans	-164.8	172.3	179.4	-170.2	0	0	0	0	110.9	N127 Y131 I175 A178 I180 I198 T203	N127-T201 PolarHBondContact ND2-O 2.8Å; Y131-T201 VanDerWaalsContact CE2-CA 3.41Å; Y131-T201 VanDerWaalsContact CE2-N 3.33Å; I175-T201 HydrophobicContact CG1-CG2 4.46Å; I175-T201 VanDerWaalsContact O-CB 3.22Å; I175-T201 WeakPolarHBondContact O-CB 3.29Å; I175-T201 PolarHBondContact O-OG1 3.02Å; A178-T201 PolarHBondContact O-OG1 2.94Å; A178-T201 VanDerWaalsContact O-OG1 3.11Å; I180-T201 HydrophobicContact CD1-CG2 3.59Å; I180-T201 HydrophobicContact CG1-CG2 3.84Å; I198-T201 HydrophobicContact CG2-CG2 4.16Å; T201-T203 HydrophobicContact CG2-CG2 4.05Å
202	R	98.1	Very high	96.9	Very high	24 Å²	24	21.2 Å²	21.2	9%	0.091	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	135	170.2	-60.2	-174.7	-153.9	87.2	-10.1	110.4	V125 K126 Y131 G132 T177 L179 I180	V125-R202 HydrophobicContact CG1-CB 3.98Å; V125-R202 HydrophobicContact CG1-CG 4.4Å; K126-R202 WeakPolarHBondContact O-CA 3.47Å; Y131-R202 HydrophobicContact CD2-CG 4.07Å; Y131-R202 HydrophobicContact CG-CG 4.24Å; Y131-R202 PolarHBondContact O-NH2 2.78Å; G132-R202 PolarHBondContact O-NE 2.99Å; T177-R202 PolarHBondContact O-NH1 3.27Å; L179-R202 HydrophobicContact CD1-CB 3.87Å; I180-R202 PolarHBondContact N-O 3.4Å
203	T	98.4	Very high	96.9	Very high	3 Å²	3	23.1 Å²	23.1	2%	0.018	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	145.6	179.3	62.4	0	0	0	0	111.7	K126 I180 F182 I198 T201	K126-T203 WeakPolarHBondContact CB-O 3.45Å; K126-T203 PolarHBondContact N-O 3.48Å; K126-T203 PolarHBondContact O-N 3.35Å; I180-T203 HydrophobicContact CB-CG2 4.42Å; I180-T203 CarbonylContact O-C 3.59Å; I180-T203 VanDerWaalsContact O-CA 3.22Å; I180-T203 WeakPolarHBondContact O-CA 3.38Å; F182-T203 HydrophobicContact CE2-CG2 3.97Å; I198-T203 HydrophobicContact CB-CG2 4.01Å; I198-T203 HydrophobicContact CD1-CG2 4.06Å; I198-T203 HydrophobicContact CG2-CG2 3.55Å; T201-T203 HydrophobicContact CG2-CG2 4.05Å
204	V	98	Very high	96.9	Very high	1 Å²	1	21 Å²	21	1%	0.006	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	144.2	171.8	178.5	0	0	0	0	108.7	V125 L179 I180 I181 F182 I206 F276	V125-V204 HydrophobicContact CB-CG2 4Å; V125-V204 HydrophobicContact CG1-CG2 4.15Å; V125-V204 HydrophobicContact CG2-CG2 3.61Å; L179-V204 HydrophobicContact CD1-CG2 3.89Å; I180-V204 PolarHBondContact O-N 3.46Å; I181-V204 WeakPolarHBondContact CA-O 3.38Å; F182-V204 PolarHBondContact N-O 2.95Å; V204-I206 HydrophobicContact CG1-CG2 3.9Å; V204-F276 HydrophobicContact CB-CZ 4.1Å; V204-F276 HydrophobicContact CG1-CE2 4.02Å; V204-F276 HydrophobicContact CG1-CZ 3.74Å; V204-F276 HydrophobicContact CG2-CZ 3.87Å
205	Q	98	Very high	96.9	Very high	27 Å²	27	19.7 Å²	19.7	13%	0.126	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	127.1	167.8	-66.6	178	112	0	0	108.9	I119 F182 N192 I195 F207	I119-Q205 WeakPolarHBondContact CG2-O 3.49Å; F182-Q205 HydrophobicContact CB-CG 4.35Å; F182-Q205 WeakPolarHBondContact O-CA 3.33Å; N192-Q205 PolarHBondContact OD1-OE1 3.31Å; I195-Q205 HydrophobicContact CD1-CG 4.31Å; I195-Q205 HydrophobicContact CG2-CG 3.73Å; Q205-F207 HydrophobicContact CB-CE2 3.97Å; Q205-F207 HydrophobicContact CB-CZ 4.43Å
206	I	97.8	Very high	96.8	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	149.9	171.8	67.7	175.5	0	0	0	108	I181 F182 S183 H184 V204 W267 F271 V272 F276	I181-I206 HydrophobicContact CG2-CD1 3.82Å; I181-I206 HydrophobicContact CG2-CG1 4.01Å; I181-I206 HydrophobicContact CG2-CG2 4.22Å; F182-I206 PolarHBondContact O-N 3.16Å; S183-I206 CarbonylContact C-O 3.55Å; S183-I206 WeakPolarHBondContact CA-O 3.33Å; H184-I206 PolarHBondContact CD2-O 2.59Å; H184-I206 PolarHBondContact N-O 3.33Å; V204-I206 HydrophobicContact CG1-CG2 3.9Å; I206-W267 HydrophobicContact CB-CH2 4.06Å; I206-W267 HydrophobicContact CD1-CH2 3.96Å; I206-W267 HydrophobicContact CD1-CZ3 3.96Å; I206-W267 HydrophobicContact CG1-CH2 3.98Å; I206-W267 HydrophobicContact CG1-CZ3 4.09Å; I206-F271 HydrophobicContact CB-CD1 4.49Å; I206-F271 HydrophobicContact CB-CE1 4.26Å; I206-F271 HydrophobicContact CD1-CD1 3.75Å; I206-F271 HydrophobicContact CD1-CE1 4.34Å; I206-F271 HydrophobicContact CG2-CD1 4.27Å; I206-F271 HydrophobicContact CG2-CE1 3.78Å; I206-V272 HydrophobicContact CD1-CG2 3.78Å; I206-F276 HydrophobicContact CG2-CE2 4.29Å
207	F	97.4	Very high	96.8	Very high	2 Å²	2	26.9 Å²	26.9	1%	0.009	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	122.6	-173.6	-69.5	-95.1	0	0	0	110.7	Y115 I116 I119 N120 H184 Y187 Q205 P209 W267	Y115-F207 HydrophobicContact CE1-CD2 4.39Å; Y115-F207 AromaticContact CE1-CE2 3.91Å; Y115-F207 HydrophobicContact CE1-CE2 3.91Å; Y115-F207 HydrophobicContact CE1-CZ 4.02Å; I116-F207 HydrophobicContact CB-CB 4.15Å; I116-F207 HydrophobicContact CD1-CB 4.15Å; I116-F207 HydrophobicContact CG1-CB 3.69Å; I116-F207 HydrophobicContact CG1-CD1 4.3Å; I116-F207 HydrophobicContact CG1-CG 4.03Å; I116-F207 HydrophobicContact CG2-CB 3.75Å; I119-F207 HydrophobicContact CB-CD2 4.44Å; I119-F207 HydrophobicContact CG2-CD2 3.92Å; I119-F207 HydrophobicContact CG2-CE2 4.01Å; N120-F207 PolarHBondContact ND2-O 2.89Å; N120-F207 PolarHBondContact OD1-N 2.95Å; H184-F207 HydrophobicContact CB-CD1 3.47Å; H184-F207 VanDerWaalsContact CB-CD1 3.47Å; H184-F207 HydrophobicContact CB-CE1 3.63Å; H184-F207 HydrophobicContact CB-CG 4.18Å; H184-F207 HydrophobicContact CB-CZ 4.48Å; H184-F207 AromaticContact CG-CE1 3.76Å; H184-F207 CarbonylContact O-C 3.57Å; H184-F207 WeakPolarHBondContact O-CA 3.29Å; Y187-F207 AromaticContact CD2-CE1 3.86Å; Y187-F207 HydrophobicContact CD2-CE1 3.86Å; Y187-F207 HydrophobicContact CD2-CZ 4.19Å; Q205-F207 HydrophobicContact CB-CE2 3.97Å; Q205-F207 HydrophobicContact CB-CZ 4.43Å; F207-P209 VanDerWaalsContact O-CD 3.3Å; F207-P209 WeakPolarHBondContact O-CD 3.31Å; F207-P209 VanDerWaalsContact O-N 3.11Å; F207-W267 VanDerWaalsContact O-CH2 3.23Å; F207-W267 WeakPolarHBondContact O-CH2 3.49Å
208	Y	97.4	Very high	96.8	Very high	2 Å²	2	24.8 Å²	24.8	1%	0.008	12%	0.119	C	C	.	.			trans	-57	113.5	175.7	177	-126.3	0	0	0	110	H184 D185 H210 Q260 N263 H264 W267	H184-Y208 WeakPolarHBondContact O-CB 3.37Å; H184-Y208 PolarHBondContact O-N 3.01Å; D185-Y208 HydrophobicContact CB-CD1 4.08Å; Y208-H210 HydrophobicContact CE1-CB 4.04Å; Y208-H210 WeakPolarHBondContact CE1-O 3.28Å; Y208-H210 HydrophobicContact CE2-CB 4.12Å; Y208-H210 AromaticContact CE2-CD2 3.66Å; Y208-H210 AromaticContact CZ-CD2 3.97Å; Y208-H210 PolarHBondContact O-N 2.97Å; Y208-H210 VanDerWaalsContact O-N 3.12Å; Y208-H210 WeakPolarHBondContact OH-CB 3.42Å; Y208-Q260 HydrophobicContact CD1-CG 4.3Å; Y208-Q260 HydrophobicContact CE1-CG 4.11Å; Y208-N263 WeakPolarHBondContact OH-CB 3.49Å; Y208-H264 HydrophobicContact CD1-CB 4.09Å; Y208-H264 HydrophobicContact CE1-CB 4.46Å; Y208-H264 HydrophobicContact CG-CB 4.13Å; Y208-W267 HydrophobicContact CD2-CB 3.76Å; Y208-W267 AromaticContact CD2-CD2 3.69Å; Y208-W267 HydrophobicContact CD2-CD2 3.69Å; Y208-W267 AromaticContact CD2-CE3 3.78Å; Y208-W267 HydrophobicContact CD2-CE3 3.78Å; Y208-W267 AromaticContact CD2-CG 3.67Å; Y208-W267 HydrophobicContact CD2-CG 3.67Å; Y208-W267 HydrophobicContact CE2-CB 3.78Å; Y208-W267 HydrophobicContact CE2-CD2 4.48Å; Y208-W267 AromaticContact CE2-CG 4Å; Y208-W267 HydrophobicContact CE2-CG 4Å; Y208-W267 HydrophobicContact CG-CE3 4.33Å
209	P	96.2	Very high	96.7	Very high	8 Å²	8	24.8 Å²	24.8	5%	0.052	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	7.2	-166.2	35.7	-38.7	0	0	0	112.8	I116 F207 I214 W267 S495	I116-P209 HydrophobicContact CG2-CB 4.1Å; F207-P209 VanDerWaalsContact O-CD 3.3Å; F207-P209 WeakPolarHBondContact O-CD 3.31Å; F207-P209 VanDerWaalsContact O-N 3.11Å; P209-I214 WeakPolarHBondContact O-CD1 3.31Å; P209-W267 HydrophobicContact CG-CZ2 4.33Å; P209-S495 WeakPolarHBondContact CB-OG 3.29Å; P209-S495 WeakPolarHBondContact O-CB 3.5Å; P209-S495 PolarHBondContact O-OG 3.27Å
210	H	96.4	Very high	96.7	Very high	1 Å²	1	18.6 Å²	18.6	1%	0.005	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-129.1	35.1	177.5	-33.2	-61	0	0	0	111.6	Y208 P220 L471 W480 L491 S495 P496	Y208-H210 HydrophobicContact CE1-CB 4.04Å; Y208-H210 WeakPolarHBondContact CE1-O 3.28Å; Y208-H210 HydrophobicContact CE2-CB 4.12Å; Y208-H210 AromaticContact CE2-CD2 3.66Å; Y208-H210 AromaticContact CZ-CD2 3.97Å; Y208-H210 PolarHBondContact O-N 2.97Å; Y208-H210 VanDerWaalsContact O-N 3.12Å; Y208-H210 WeakPolarHBondContact OH-CB 3.42Å; H210-P220 HydrophobicContact CB-CG 3.93Å; H210-P220 WeakPolarHBondContact O-CG 3.45Å; H210-L471 HydrophobicContact CB-CD2 4.33Å; H210-W480 AromaticContact CE1-CH2 3.66Å; H210-L491 HydrophobicContact CB-CD1 3.96Å; H210-L491 WeakPolarHBondContact ND1-CD1 3.35Å; H210-S495 PolarHBondContact CE1-OG 3.35Å; H210-S495 WeakPolarHBondContact ND1-CB 3.47Å; H210-S495 PolarHBondContact ND1-OG 3.12Å; H210-P496 PolarHBondContact CE1-O 2.95Å
211	S	96.5	Very high	96.7	Very high	1 Å²	1	16.9 Å²	16.9	1%	0.007	9%	0.089	C	C	.	.			trans	-76.1	156.5	177.9	80	0	0	0	0	112.8	D185 Q213 I214 F215 Q260	D185-S211 WeakPolarHBondContact O-CB 3.46Å; D185-S211 PolarHBondContact O-OG 2.85Å; S211-Q213 PolarHBondContact O-N 2.63Å; S211-Q213 PolarHBondContact OG-N 2.86Å; S211-I214 VanDerWaalsContact O-CG1 3.28Å; S211-I214 WeakPolarHBondContact O-CG1 3.35Å; S211-I214 PolarHBondContact O-N 3.44Å; S211-F215 PolarHBondContact O-N 3.32Å; S211-F215 VanDerWaalsContact O-N 3.16Å; S211-Q260 VanDerWaalsContact CA-OE1 3.23Å
212	M	95.5	Very high	96.6	Very high	54 Å²	54	20.7 Å²	20.7	27%	0.266	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-27.9	174.6	66.4	170.1	65.8	0	0	112.7	I214 F215 P216 H257	M212-I214 VanDerWaalsContact C-N 3.27Å; M212-I214 PolarHBondContact O-N 3.04Å; M212-F215 CarbonylContact O-C 3.58Å; M212-F215 PolarHBondContact O-N 3.21Å; M212-P216 VanDerWaalsContact O-CA 3.24Å; M212-P216 WeakPolarHBondContact O-CA 3.37Å; M212-H257 HydrophobicContact CE-CB 3.69Å
213	Q	95	Very high	96.5	Very high	46 Å²	46	20 Å²	20	22%	0.215	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-37.3	-179.3	-171.4	-172.4	38.4	0	0	111.3	L112 F186 Y187 S211	L112-Q213 HydrophobicContact CD2-CG 4.09Å; F186-Q213 HydrophobicContact CD2-CB 4.16Å; F186-Q213 HydrophobicContact CD2-CG 4.09Å; F186-Q213 HydrophobicContact CE2-CG 4.1Å; Y187-Q213 PolarHBondContact O-NE2 3.07Å; S211-Q213 PolarHBondContact O-N 2.63Å; S211-Q213 PolarHBondContact OG-N 2.86Å
214	I	94.7	Very high	96.4	Very high	3 Å²	3	24.9 Å²	24.9	2%	0.015	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.4	-2.7	177.3	54.3	168.2	0	0	0	113.3	I109 L112 R113 I116 P209 S211 M212	I109-I214 WeakPolarHBondContact CG2-O 3.42Å; L112-I214 HydrophobicContact CB-CG2 4.26Å; L112-I214 HydrophobicContact CD2-CG2 3.63Å; L112-I214 HydrophobicContact CG-CG2 3.66Å; R113-I214 HydrophobicContact CG-CB 3.87Å; R113-I214 HydrophobicContact CG-CD1 4.42Å; R113-I214 HydrophobicContact CG-CG2 4.05Å; R113-I214 PolarHBondContact NE-O 3.22Å; R113-I214 PolarHBondContact NH2-O 3.35Å; I116-I214 HydrophobicContact CD1-CD1 4.13Å; I116-I214 HydrophobicContact CD1-CG2 3.86Å; P209-I214 WeakPolarHBondContact O-CD1 3.31Å; S211-I214 VanDerWaalsContact O-CG1 3.28Å; S211-I214 WeakPolarHBondContact O-CG1 3.35Å; S211-I214 PolarHBondContact O-N 3.44Å; M212-I214 VanDerWaalsContact C-N 3.27Å; M212-I214 PolarHBondContact O-N 3.04Å
215	F	95.6	Very high	96.3	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.17	C	C	.	.	S	Bend	trans	-134.6	57.1	173.4	-67.9	-81.3	0	0	0	111.1	S211 M212 D217 P220 G221 L491 Y494	S211-F215 PolarHBondContact O-N 3.32Å; S211-F215 VanDerWaalsContact O-N 3.16Å; M212-F215 CarbonylContact O-C 3.58Å; M212-F215 PolarHBondContact O-N 3.21Å; F215-D217 PolarHBondContact O-N 2.97Å; F215-P220 HydrophobicContact CD2-CG 4.4Å; F215-G221 WeakPolarHBondContact O-CA 3.36Å; F215-G221 PolarHBondContact O-N 2.92Å; F215-L491 HydrophobicContact CE1-CD1 4.33Å; F215-L491 HydrophobicContact CE2-CD1 3.93Å; F215-L491 HydrophobicContact CZ-CD1 3.8Å; F215-Y494 HydrophobicContact CE1-CD2 4.3Å
216	P	94.4	Very high	96.3	Very high	48 Å²	48	32 Å²	32	31%	0.312	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-45.5	-169	22.5	-33.3	0	0	0	113.2	I109 M212 T222	I109-P216 HydrophobicContact CD1-CG 3.58Å; M212-P216 VanDerWaalsContact O-CA 3.24Å; M212-P216 WeakPolarHBondContact O-CA 3.37Å; P216-T222 PolarHBondContact O-N 3.24Å; P216-T222 VanDerWaalsContact O-N 3.15Å
217	D	94.9	Very high	96.3	Very high	108 Å²	108	32.3 Å²	32.3	58%	0.578	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	-108.9	20.4	-171.2	-49.3	-52.9	0	0	0	113.2	F215 T222 P224	F215-D217 PolarHBondContact O-N 2.97Å; D217-T222 CarbonylContact C-O 3.49Å; D217-T222 WeakPolarHBondContact CA-O 2.86Å; D217-P224 HydrophobicContact CB-CG 4.46Å; D217-P224 WeakPolarHBondContact O-CD 3.3Å
218	T	96	Very high	96.3	Very high	14 Å²	14	37 Å²	37	9%	0.086	20%	0.197	C	C	.	.	S	Bend	trans	-151.2	150.9	-174.5	59.6	0	0	0	0	109.3	G221 K490	T218-G221 CarbonylContact O-C 3.44Å; T218-G221 WeakPolarHBondContact O-CA 3.31Å; T218-G221 PolarHBondContact O-N 3.43Å; T218-K490 HydrophobicContact CG2-CD 3.42Å; T218-K490 VanDerWaalsContact CG2-CD 3.42Å
219	F	97.5	Very high	96.2	Very high	3 Å²	3	38 Å²	38	1%	0.013	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.1	134.9	173	-178.2	-87.9	0	0	0	111.7	R467 L471 L484 A488 L491	F219-R467 HydrophobicContact CD1-CB 4.32Å; F219-R467 HydrophobicContact CD2-CB 3.66Å; F219-R467 HydrophobicContact CD2-CG 4.44Å; F219-R467 HydrophobicContact CE1-CB 4.01Å; F219-R467 HydrophobicContact CE2-CB 3.33Å; F219-R467 HydrophobicContact CG-CB 4.16Å; F219-R467 HydrophobicContact CZ-CB 3.53Å; F219-R467 VanDerWaalsContact CZ-O 3.27Å; F219-R467 WeakPolarHBondContact CZ-O 3.49Å; F219-L471 HydrophobicContact CE1-CB 4.11Å; F219-L471 HydrophobicContact CE1-CD2 3.92Å; F219-L471 HydrophobicContact CZ-CB 4.03Å; F219-L471 HydrophobicContact CZ-CD2 3.99Å; F219-L484 HydrophobicContact CD1-CD2 4.29Å; F219-L484 HydrophobicContact CE1-CD2 3.71Å; F219-L484 HydrophobicContact CZ-CD2 4.39Å; F219-A488 HydrophobicContact CB-CB 4.06Å; F219-A488 HydrophobicContact CD1-CB 3.47Å; F219-A488 VanDerWaalsContact CD1-CB 3.47Å; F219-A488 HydrophobicContact CE1-CB 4.3Å; F219-A488 HydrophobicContact CG-CB 4.03Å; F219-L491 HydrophobicContact CD1-CD2 3.88Å; F219-L491 HydrophobicContact CE1-CD2 3.7Å
220	P	97.2	Very high	96.2	Very high	9 Å²	9	47 Å²	47	6%	0.058	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	cis	-88.4	4.3	7.5	35.8	-39.3	0	0	0	116.5	H210 F215 R254 S256 L471	H210-P220 HydrophobicContact CB-CG 3.93Å; H210-P220 WeakPolarHBondContact O-CG 3.45Å; F215-P220 HydrophobicContact CD2-CG 4.4Å; P220-R254 PolarHBondContact O-NH2 3.46Å; P220-S256 WeakPolarHBondContact O-CB 3.27Å; P220-L471 HydrophobicContact CB-CD2 3.85Å; P220-L471 HydrophobicContact CG-CD2 4.13Å
221	G	97.1	Very high	96.2	Very high	0 Å²	0	48 Å²	48	0%	0	24%	0.242	C	C	.	.	S	Bend	trans	-73.4	-152.3	163.5	0	0	0	0	0	111.7	F215 T218 R254	F215-G221 WeakPolarHBondContact O-CA 3.36Å; F215-G221 PolarHBondContact O-N 2.92Å; T218-G221 CarbonylContact O-C 3.44Å; T218-G221 WeakPolarHBondContact O-CA 3.31Å; T218-G221 PolarHBondContact O-N 3.43Å; G221-R254 PolarHBondContact O-NH1 3.35Å; G221-R254 PolarHBondContact O-NH2 3.24Å
222	T	96.2	Very high	96.3	Very high	80 Å²	80	55.4 Å²	55.4	49%	0.491	27%	0.274	S	S	.	.			trans	-97.7	99.8	-174.2	-56	0	0	0	0	109.4	P216 D217 S256	P216-T222 PolarHBondContact O-N 3.24Å; P216-T222 VanDerWaalsContact O-N 3.15Å; D217-T222 CarbonylContact C-O 3.49Å; D217-T222 WeakPolarHBondContact CA-O 2.86Å; T222-S256 PolarHBondContact OG1-OG 3.36Å
223	D	96.7	Very high	96.3	Very high	10 Å²	10	53.9 Å²	53.9	5%	0.053	27%	0.268	C	S	.	.			trans	-69.6	130.6	173.8	-166.1	-58.9	0	0	0	108.9	R225 D226 L242	D223-R225 PolarHBondContact O-N 3.03Å; D223-R225 VanDerWaalsContact OD1-CB 3.32Å; D223-R225 WeakPolarHBondContact OD1-CB 3.3Å; D223-R225 WeakPolarHBondContact OD1-CG 3.38Å; D223-R225 IonicContact OD1-CZ 3.85Å; D223-R225 PolarHBondContact OD1-N 3.11Å; D223-R225 IonicContact OD1-NE 2.76Å; D223-R225 PolarHBondContact OD1-NE 3.49Å; D223-R225 IonicContact OD1-NH2 2.73Å; D223-R225 IonicContact OD2-CZ 3.85Å; D223-R225 IonicContact OD2-NE 3.34Å; D223-R225 IonicContact OD2-NH2 3.78Å; D223-R225 PolarHBondContact OD2-NH2 2.96Å; D223-D226 VanDerWaalsContact O-CB 3.27Å; D223-D226 WeakPolarHBondContact O-CB 3.28Å; D223-D226 PolarHBondContact O-N 3.36Å; D223-L242 HydrophobicContact CB-CD2 4.32Å
224	P	96.2	Very high	96.4	Very high	106 Å²	106	55 Å²	55	69%	0.688	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-15.6	178.1	-27	34.4	0	0	0	114.7	D217	D217-P224 HydrophobicContact CB-CG 4.46Å; D217-P224 WeakPolarHBondContact O-CD 3.3Å
225	R	96.5	Very high	96.6	Very high	155 Å²	155	60 Å²	60	59%	0.585	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.1	-7.4	176.7	-57.5	168	-65.9	166.7	3.9	113.1	D223 C241 L242	D223-R225 PolarHBondContact O-N 3.03Å; D223-R225 VanDerWaalsContact OD1-CB 3.32Å; D223-R225 WeakPolarHBondContact OD1-CB 3.3Å; D223-R225 WeakPolarHBondContact OD1-CG 3.38Å; D223-R225 IonicContact OD1-CZ 3.85Å; D223-R225 PolarHBondContact OD1-N 3.11Å; D223-R225 IonicContact OD1-NE 2.76Å; D223-R225 PolarHBondContact OD1-NE 3.49Å; D223-R225 IonicContact OD1-NH2 2.73Å; D223-R225 IonicContact OD2-CZ 3.85Å; D223-R225 IonicContact OD2-NE 3.34Å; D223-R225 IonicContact OD2-NH2 3.78Å; D223-R225 PolarHBondContact OD2-NH2 2.96Å; R225-C241 WeakPolarHBondContact O-CB 3.43Å; R225-L242 HydrophobicContact CB-CB 4.11Å; R225-L242 HydrophobicContact CB-CD2 4.45Å; R225-L242 VanDerWaalsContact O-CB 3.32Å; R225-L242 WeakPolarHBondContact O-CB 3.37Å; R225-L242 PolarHBondContact O-N 2.73Å
226	D	97.5	Very high	96.7	Very high	22 Å²	22	60 Å²	60	12%	0.118	31%	0.308	C	S	.	.	S	Bend	trans	-61.2	147.9	174.2	-75.7	-8.1	0	0	0	110.2	D223 R254 R467	D223-D226 VanDerWaalsContact O-CB 3.27Å; D223-D226 WeakPolarHBondContact O-CB 3.28Å; D223-D226 PolarHBondContact O-N 3.36Å; D226-R254 IonicContact OD2-CZ 2.69Å; D226-R254 IonicContact OD2-NH1 3.57Å; D226-R254 PolarHBondContact OD2-NH1 2.82Å; D226-R467 VanDerWaalsContact CG-NH2 3.31Å; D226-R467 IonicContact OD1-CZ 3.7Å; D226-R467 IonicContact OD1-NH1 3.67Å; D226-R467 PolarHBondContact OD1-NH1 3.15Å; D226-R467 IonicContact OD1-NH2 2.69Å; D226-R467 PolarHBondContact OD1-NH2 2.84Å; D226-R467 IonicContact OD2-NH1 3.63Å; D226-R467 IonicContact OD2-NH2 2.95Å; D226-R467 PolarHBondContact OD2-NH2 3.2Å
227	C	98	Very high	96.7	Very high	6 Å²	6	65.3 Å²	65.3	4%	0.041	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-64.6	141	172.1	-56.7	0	0	0	0	109.9	S229 I231 C241 N243 A244 Y253	C227-S229 PolarHBondContact O-N 3.33Å; C227-I231 HydrophobicContact CB-CG2 3.95Å; C227-C241 WeakPolarHBondContact CA-SG 3.43Å; C227-C241 HydrophobicContact CB-CB 3.92Å; C227-C241 WeakPolarHBondContact CB-SG 3.23Å; C227-C241 WeakPolarHBondContact SG-CB 3.27Å; C227-C241 CovalentContact SG-SG 2.02Å; C227-C241 PolarHBondContact SG-SG 3.05Å; C227-N243 WeakPolarHBondContact CB-OD1 3.22Å; C227-N243 PolarHBondContact N-OD1 2.81Å; C227-N243 PolarHBondContact SG-OD1 2.7Å; C227-A244 WeakPolarHBondContact SG-CA 3.38Å; C227-A244 PolarHBondContact SG-N 2.87Å; C227-Y253 HydrophobicContact CB-CD1 3.74Å; C227-Y253 HydrophobicContact CB-CD2 3.7Å; C227-Y253 HydrophobicContact CB-CE1 4.17Å; C227-Y253 HydrophobicContact CB-CE2 4.13Å; C227-Y253 HydrophobicContact CB-CG 3.48Å; C227-Y253 VanDerWaalsContact CB-CG 3.48Å
228	D	97	Very high	96.8	Very high	102 Å²	102	66.6 Å²	66.6	55%	0.545	33%	0.329	S	S	.	.	P	Polyproline II helix	trans	-55	137.9	167.2	176.7	-84.9	0	0	0	109.9	R230 I231 Y253	D228-R230 PolarHBondContact O-N 2.82Å; D228-R230 PolarHBondContact OD1-N 2.78Å; D228-I231 HydrophobicContact CB-CB 4.15Å; D228-I231 HydrophobicContact CB-CG2 4.29Å; D228-I231 WeakPolarHBondContact O-CG2 2.95Å; D228-I231 PolarHBondContact O-N 2.95Å; D228-I231 PolarHBondContact OD1-N 2.84Å; D228-Y253 WeakPolarHBondContact O-CD2 3.4Å
229	S	95.5	Very high	96.8	Very high	22 Å²	22	70.6 Å²	70.6	15%	0.154	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-29.2	-173.9	61.3	0	0	0	0	113.9	C227 H252 Y253	C227-S229 PolarHBondContact O-N 3.33Å; S229-H252 CarbonylContact O-C 3.51Å; S229-H252 VanDerWaalsContact O-CA 3.25Å; S229-H252 WeakPolarHBondContact O-CA 3.36Å; S229-H252 VanDerWaalsContact O-CB 3.32Å; S229-H252 WeakPolarHBondContact O-CB 2.97Å; S229-Y253 PolarHBondContact O-N 3.48Å
230	R	95.8	Very high	96.8	Very high	198 Å²	198	78.4 Å²	78.4	75%	0.747	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.8	2.5	-174.2	-61.8	-174.4	-176.2	-177.7	1.8	114.1	D228	D228-R230 PolarHBondContact O-N 2.82Å; D228-R230 PolarHBondContact OD1-N 2.78Å
231	I	97	Very high	96.8	Very high	22 Å²	22	78.8 Å²	78.8	11%	0.113	39%	0.388	C	S	.	.			trans	-62	140.1	175.7	-168.3	173	0	0	0	110.5	C227 D228 E235 A236 I239 Y253	C227-I231 HydrophobicContact CB-CG2 3.95Å; D228-I231 HydrophobicContact CB-CB 4.15Å; D228-I231 HydrophobicContact CB-CG2 4.29Å; D228-I231 WeakPolarHBondContact O-CG2 2.95Å; D228-I231 PolarHBondContact O-N 2.95Å; D228-I231 PolarHBondContact OD1-N 2.84Å; I231-E235 HydrophobicContact CD1-CB 4.22Å; I231-E235 HydrophobicContact CD1-CG 3.91Å; I231-E235 HydrophobicContact CG1-CB 3.94Å; I231-E235 HydrophobicContact CG1-CG 4.01Å; I231-A236 HydrophobicContact CG2-CB 3.99Å; I231-I239 HydrophobicContact CD1-CD1 3.49Å; I231-I239 VanDerWaalsContact CD1-CD1 3.49Å; I231-I239 HydrophobicContact CD1-CG1 4.26Å; I231-Y253 HydrophobicContact CG2-CD2 3.65Å; I231-Y253 HydrophobicContact CG2-CE2 3.63Å; I231-Y253 WeakPolarHBondContact O-CE2 3.36Å
232	K	97.3	Very high	96.7	Very high	156 Å²	156	80.1 Å²	80.1	68%	0.678	40%	0.395	S	S	*	.			trans	-68.2	141.5	-179.9	-70.2	179.5	-179.6	174.6	0	110.2	A234 E235 A236	K232-A234 PolarHBondContact O-N 2.91Å; K232-E235 WeakPolarHBondContact O-CA 3.4Å; K232-E235 WeakPolarHBondContact O-CB 3.16Å; K232-E235 PolarHBondContact O-N 2.57Å; K232-A236 PolarHBondContact O-N 3.05Å
233	P	96.9	Very high	96.8	Very high	21 Å²	21	76.3 Å²	76.3	14%	0.136	37%	0.372	C	S	.	.	H	α-helix	trans	-58.4	-26.9	-178.4	-26.6	30.9	0	0	0	116	R237 Q251 Y253	P233-R237 WeakPolarHBondContact O-CB 3.44Å; P233-R237 VanDerWaalsContact O-CG 3.28Å; P233-R237 WeakPolarHBondContact O-CG 3.48Å; P233-R237 PolarHBondContact O-N 3.26Å; P233-R237 PolarHBondContact O-NE 2.75Å; P233-Q251 HydrophobicContact CG-CB 3.79Å; P233-Q251 HydrophobicContact CG-CG 4.27Å; P233-Y253 WeakPolarHBondContact CA-OH 3.34Å
234	A	96.9	Very high	96.8	Very high	70 Å²	70	76.2 Å²	76.2	58%	0.579	37%	0.373	S	S	*	.	H	α-helix	trans	-69.5	-40.1	174.3	0	0	0	0	0	111.6	K232 N238	K232-A234 PolarHBondContact O-N 2.91Å; A234-N238 PolarHBondContact O-N 2.95Å
235	E	97.2	Very high	96.9	Very high	107 Å²	107	81.1 Å²	81.1	50%	0.5	38%	0.377	S	S	.	.	H	α-helix	trans	-74.4	-43.4	179.1	-168.9	-178	170.4	0	0	111	I231 K232 R237 N238 I239	I231-E235 HydrophobicContact CD1-CB 4.22Å; I231-E235 HydrophobicContact CD1-CG 3.91Å; I231-E235 HydrophobicContact CG1-CB 3.94Å; I231-E235 HydrophobicContact CG1-CG 4.01Å; K232-E235 WeakPolarHBondContact O-CA 3.4Å; K232-E235 WeakPolarHBondContact O-CB 3.16Å; K232-E235 PolarHBondContact O-N 2.57Å; E235-R237 VanDerWaalsContact C-N 3.26Å; E235-R237 PolarHBondContact O-N 2.83Å; E235-N238 WeakPolarHBondContact O-CA 3.38Å; E235-N238 WeakPolarHBondContact O-CB 3.42Å; E235-N238 PolarHBondContact O-N 3.04Å; E235-I239 PolarHBondContact O-N 2.94Å
236	A	97.7	Very high	96.9	Very high	0 Å²	0	76.2 Å²	76.2	0%	0	36%	0.359	C	S	.	.	H	α-helix	trans	-51.9	-45.1	172.9	0	0	0	0	0	112.3	I231 K232 N238 I239 E240 C241 A244 Y253	I231-A236 HydrophobicContact CG2-CB 3.99Å; K232-A236 PolarHBondContact O-N 3.05Å; A236-N238 VanDerWaalsContact C-N 3.34Å; A236-I239 WeakPolarHBondContact O-CG1 3.32Å; A236-E240 PolarHBondContact O-N 3.13Å; A236-C241 PolarHBondContact O-N 2.81Å; A236-C241 PolarHBondContact O-SG 3.46Å; A236-A244 HydrophobicContact CB-CB 4.07Å; A236-A244 WeakPolarHBondContact O-CB 3.31Å; A236-Y253 HydrophobicContact CB-CE1 4.49Å; A236-Y253 HydrophobicContact CB-CE2 3.67Å; A236-Y253 WeakPolarHBondContact CB-OH 3.45Å
237	R	96.3	Very high	96.9	Very high	161 Å²	161	76.6 Å²	76.6	61%	0.608	36%	0.363	S	S	*	.	H	α-helix	trans	-67.8	-32.5	176.5	-77.7	-177	-77.1	-178.4	-5.5	112.8	P233 E235 A244	P233-R237 WeakPolarHBondContact O-CB 3.44Å; P233-R237 VanDerWaalsContact O-CG 3.28Å; P233-R237 WeakPolarHBondContact O-CG 3.48Å; P233-R237 PolarHBondContact O-N 3.26Å; P233-R237 PolarHBondContact O-NE 2.75Å; E235-R237 VanDerWaalsContact C-N 3.26Å; E235-R237 PolarHBondContact O-N 2.83Å; R237-A244 HydrophobicContact CG-CB 4.47Å
238	N	97	Very high	96.9	Very high	135 Å²	135	76.8 Å²	76.8	72%	0.722	36%	0.364	S	S	*	.	H	α-helix	trans	-73	-37.6	177.7	-173.7	50.2	0	0	0	112.3	A234 E235 A236 E240	A234-N238 PolarHBondContact O-N 2.95Å; E235-N238 WeakPolarHBondContact O-CA 3.38Å; E235-N238 WeakPolarHBondContact O-CB 3.42Å; E235-N238 PolarHBondContact O-N 3.04Å; A236-N238 VanDerWaalsContact C-N 3.34Å; N238-E240 VanDerWaalsContact C-N 3.3Å
239	I	95.9	Very high	96.9	Very high	97 Å²	97	75.7 Å²	75.7	50%	0.497	36%	0.361	S	S	.	.	H	α-helix	trans	-83.5	-8.1	176.3	68.2	167.3	0	0	0	113.3	I231 E235 A236 C241	I231-I239 HydrophobicContact CD1-CD1 3.49Å; I231-I239 VanDerWaalsContact CD1-CD1 3.49Å; I231-I239 HydrophobicContact CD1-CG1 4.26Å; E235-I239 PolarHBondContact O-N 2.94Å; A236-I239 WeakPolarHBondContact O-CG1 3.32Å; I239-C241 VanDerWaalsContact C-N 3.27Å; I239-C241 HydrophobicContact CD1-CB 3.96Å; I239-C241 HydrophobicContact CG1-CB 4.1Å; I239-C241 PolarHBondContact O-N 2.96Å
240	E	96.4	Very high	96.9	Very high	167 Å²	167	79.6 Å²	79.6	78%	0.78	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.9	39.6	-179.7	-57.6	-171.5	157.8	0	0	114	A236 N238	A236-E240 PolarHBondContact O-N 3.13Å; N238-E240 VanDerWaalsContact C-N 3.3Å
241	C	97.2	Very high	97	Very high	18 Å²	18	74.8 Å²	74.8	12%	0.122	36%	0.361	C	S	.	.			trans	-61.9	154.4	172.7	50.7	0	0	0	0	111.4	R225 C227 A236 I239 N243 A244	R225-C241 WeakPolarHBondContact O-CB 3.43Å; C227-C241 WeakPolarHBondContact CA-SG 3.43Å; C227-C241 HydrophobicContact CB-CB 3.92Å; C227-C241 WeakPolarHBondContact CB-SG 3.23Å; C227-C241 WeakPolarHBondContact SG-CB 3.27Å; C227-C241 CovalentContact SG-SG 2.02Å; C227-C241 PolarHBondContact SG-SG 3.05Å; A236-C241 PolarHBondContact O-N 2.81Å; A236-C241 PolarHBondContact O-SG 3.46Å; I239-C241 VanDerWaalsContact C-N 3.27Å; I239-C241 HydrophobicContact CD1-CB 3.96Å; I239-C241 HydrophobicContact CG1-CB 4.1Å; I239-C241 PolarHBondContact O-N 2.96Å; C241-N243 VanDerWaalsContact C-N 3.27Å; C241-N243 PolarHBondContact O-N 3.48Å; C241-N243 VanDerWaalsContact O-N 3.08Å; C241-A244 WeakPolarHBondContact O-CB 3.44Å; C241-A244 PolarHBondContact O-N 2.77Å
242	L	96	Very high	97	Very high	27 Å²	27	77.8 Å²	77.8	14%	0.141	37%	0.374	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-39.4	-160.4	-172.7	57.5	0	0	0	113.9	D223 R225 W487	D223-L242 HydrophobicContact CB-CD2 4.32Å; R225-L242 HydrophobicContact CB-CB 4.11Å; R225-L242 HydrophobicContact CB-CD2 4.45Å; R225-L242 VanDerWaalsContact O-CB 3.32Å; R225-L242 WeakPolarHBondContact O-CB 3.37Å; R225-L242 PolarHBondContact O-N 2.73Å; L242-W487 HydrophobicContact CD1-CE3 3.51Å; L242-W487 HydrophobicContact CD1-CZ3 3.64Å; L242-W487 HydrophobicContact CG-CE3 4.44Å
243	N	97.3	Very high	97.1	Very high	0 Å²	0	70.6 Å²	70.6	0%	0	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.1	21.7	-178.5	60.3	-23.2	0	0	0	113.6	C227 C241 R245 W246 Y253 D465	C227-N243 WeakPolarHBondContact CB-OD1 3.22Å; C227-N243 PolarHBondContact N-OD1 2.81Å; C227-N243 PolarHBondContact SG-OD1 2.7Å; C241-N243 VanDerWaalsContact C-N 3.27Å; C241-N243 PolarHBondContact O-N 3.48Å; C241-N243 VanDerWaalsContact O-N 3.08Å; N243-R245 PolarHBondContact O-N 3.42Å; N243-W246 HydrophobicContact CB-CE3 3.8Å; N243-W246 HydrophobicContact CB-CZ3 4.3Å; N243-W246 PolarHBondContact O-N 3.29Å; N243-Y253 WeakPolarHBondContact O-CD1 3.3Å; N243-Y253 WeakPolarHBondContact O-CE1 3.37Å; N243-D465 WeakPolarHBondContact CB-OD2 3.5Å; N243-D465 VanDerWaalsContact CG-OD2 3.3Å; N243-D465 PolarHBondContact ND2-OD2 3.07Å
244	A	97.8	Very high	97.1	Very high	9 Å²	9	70.3 Å²	70.3	7%	0.074	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-25.3	-176.8	0	0	0	0	0	114.2	C227 A236 R237 C241 Y253	C227-A244 WeakPolarHBondContact SG-CA 3.38Å; C227-A244 PolarHBondContact SG-N 2.87Å; A236-A244 HydrophobicContact CB-CB 4.07Å; A236-A244 WeakPolarHBondContact O-CB 3.31Å; R237-A244 HydrophobicContact CG-CB 4.47Å; C241-A244 WeakPolarHBondContact O-CB 3.44Å; C241-A244 PolarHBondContact O-N 2.77Å; A244-Y253 PolarHBondContact O-OH 2.63Å
245	R	96.9	Very high	97.1	Very high	208 Å²	208	70.3 Å²	70.3	79%	0.785	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-8.5	-178.8	-62.8	-176.5	-178.7	178.3	1.6	114.6	N243 P247	N243-R245 PolarHBondContact O-N 3.42Å; R245-P247 WeakPolarHBondContact O-CD 3.28Å
246	W	97.3	Very high	97.1	Very high	52 Å²	52	65.6 Å²	65.6	20%	0.197	31%	0.306	C	S	.	.			trans	-127.3	51.3	-169.9	-48.9	-45.3	0	0	0	113.5	N243 E466 R467 W487	N243-W246 HydrophobicContact CB-CE3 3.8Å; N243-W246 HydrophobicContact CB-CZ3 4.3Å; N243-W246 PolarHBondContact O-N 3.29Å; W246-E466 HydrophobicContact CD2-CB 3.6Å; W246-E466 HydrophobicContact CE3-CB 3.89Å; W246-E466 HydrophobicContact CG-CB 4.09Å; W246-E466 HydrophobicContact CH2-CB 4.12Å; W246-E466 HydrophobicContact CZ2-CB 3.83Å; W246-E466 HydrophobicContact CZ2-CG 4.43Å; W246-E466 HydrophobicContact CZ3-CB 4.15Å; W246-R467 HydrophobicContact CZ3-CG 4.05Å; W246-W487 AromaticContact CH2-CD1 3.87Å; W246-W487 HydrophobicContact CH2-CD2 4.01Å; W246-W487 AromaticContact CH2-CE2 3.82Å; W246-W487 HydrophobicContact CH2-CG 4.03Å; W246-W487 HydrophobicContact CH2-CZ2 4.43Å; W246-W487 AromaticContact CH2-NE1 3.69Å
247	P	97.8	Very high	96.9	Very high	31 Å²	31	69.1 Å²	69.1	20%	0.201	32%	0.322	C	S	.	.			trans	-67.6	155.3	170.8	34.1	-36.3	0	0	0	110.5	R245 H252 Y253 S464	R245-P247 WeakPolarHBondContact O-CD 3.28Å; P247-H252 CarbonylContact C-O 3.38Å; P247-H252 WeakPolarHBondContact CA-O 3.42Å; P247-Y253 HydrophobicContact CB-CD1 4.42Å; P247-Y253 HydrophobicContact CB-CE1 3.92Å; P247-S464 WeakPolarHBondContact O-CB 3.06Å
248	D	97.7	Very high	96.8	Very high	10 Å²	10	63.7 Å²	63.7	5%	0.053	30%	0.303	C	S	.	.			trans	-71.7	178.9	174.3	80.1	0.8	0	0	0	113.1	F250 Q251 H252 G461 G462	D248-F250 PolarHBondContact O-N 3.43Å; D248-F250 VanDerWaalsContact O-N 3.12Å; D248-F250 VanDerWaalsContact OD1-CA 3.25Å; D248-F250 WeakPolarHBondContact OD1-CA 3.49Å; D248-F250 PolarHBondContact OD1-N 3.48Å; D248-Q251 PolarHBondContact O-N 3.07Å; D248-Q251 PolarHBondContact O-NE2 3.39Å; D248-Q251 PolarHBondContact OD1-N 2.83Å; D248-H252 PolarHBondContact N-O 3.33Å; D248-H252 PolarHBondContact OD1-N 3.01Å; D248-G461 WeakPolarHBondContact OD2-CA 3.1Å; D248-G462 PolarHBondContact OD2-N 2.92Å
249	T	96.4	Very high	96.8	Very high	79 Å²	79	57.3 Å²	57.3	49%	0.485	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-31.2	177.4	-62.3	0	0	0	0	112.2	D371 V459	T249-D371 WeakPolarHBondContact CB-OD2 3.43Å; T249-D371 PolarHBondContact N-OD2 2.69Å; T249-D371 PolarHBondContact OG1-OD2 2.77Å; T249-V459 HydrophobicContact CG2-CG1 3.98Å
250	F	96.8	Very high	96.9	Very high	104 Å²	104	53.2 Å²	53.2	46%	0.456	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.3	9.5	179.5	-59.5	-72.7	0	0	0	113.7	D248 H252 V459	D248-F250 PolarHBondContact O-N 3.43Å; D248-F250 VanDerWaalsContact O-N 3.12Å; D248-F250 VanDerWaalsContact OD1-CA 3.25Å; D248-F250 WeakPolarHBondContact OD1-CA 3.49Å; D248-F250 PolarHBondContact OD1-N 3.48Å; F250-H252 VanDerWaalsContact C-N 3.3Å; F250-V459 HydrophobicContact CE2-CG1 4.44Å; F250-V459 VanDerWaalsContact CE2-O 3.29Å; F250-V459 WeakPolarHBondContact CE2-O 3.32Å; F250-V459 HydrophobicContact CZ-CG1 4.42Å; F250-V459 VanDerWaalsContact CZ-O 3.31Å; F250-V459 WeakPolarHBondContact CZ-O 3.39Å
251	Q	97.3	Very high	96.9	Very high	97 Å²	97	47.1 Å²	47.1	45%	0.453	22%	0.22	S	C	.	.	S	Bend	trans	66.2	26.8	-179.8	-54.3	-60.8	-54.4	0	0	114.6	P233 D248	P233-Q251 HydrophobicContact CG-CB 3.79Å; P233-Q251 HydrophobicContact CG-CG 4.27Å; D248-Q251 PolarHBondContact O-N 3.07Å; D248-Q251 PolarHBondContact O-NE2 3.39Å; D248-Q251 PolarHBondContact OD1-N 2.83Å
252	H	97.5	Very high	96.9	Very high	85 Å²	85	46.2 Å²	46.2	39%	0.394	21%	0.214	S	C	.	.	P	Polyproline II helix	trans	-98.2	158	171.3	-57.5	127.3	0	0	0	111.4	S229 P247 D248 F250	S229-H252 CarbonylContact O-C 3.51Å; S229-H252 VanDerWaalsContact O-CA 3.25Å; S229-H252 WeakPolarHBondContact O-CA 3.36Å; S229-H252 VanDerWaalsContact O-CB 3.32Å; S229-H252 WeakPolarHBondContact O-CB 2.97Å; P247-H252 CarbonylContact C-O 3.38Å; P247-H252 WeakPolarHBondContact CA-O 3.42Å; D248-H252 PolarHBondContact N-O 3.33Å; D248-H252 PolarHBondContact OD1-N 3.01Å; F250-H252 VanDerWaalsContact C-N 3.3Å
253	Y	98.1	Very high	97	Very high	4 Å²	4	45 Å²	45	2%	0.016	21%	0.208	C	C	.	.	P	Polyproline II helix	trans	-100.5	160.1	174.4	-65.3	-82.7	0	0	0	111.2	C227 D228 S229 I231 P233 A236 N243 A244 P247	C227-Y253 HydrophobicContact CB-CD1 3.74Å; C227-Y253 HydrophobicContact CB-CD2 3.7Å; C227-Y253 HydrophobicContact CB-CE1 4.17Å; C227-Y253 HydrophobicContact CB-CE2 4.13Å; C227-Y253 HydrophobicContact CB-CG 3.48Å; C227-Y253 VanDerWaalsContact CB-CG 3.48Å; D228-Y253 WeakPolarHBondContact O-CD2 3.4Å; S229-Y253 PolarHBondContact O-N 3.48Å; I231-Y253 HydrophobicContact CG2-CD2 3.65Å; I231-Y253 HydrophobicContact CG2-CE2 3.63Å; I231-Y253 WeakPolarHBondContact O-CE2 3.36Å; P233-Y253 WeakPolarHBondContact CA-OH 3.34Å; A236-Y253 HydrophobicContact CB-CE1 4.49Å; A236-Y253 HydrophobicContact CB-CE2 3.67Å; A236-Y253 WeakPolarHBondContact CB-OH 3.45Å; N243-Y253 WeakPolarHBondContact O-CD1 3.3Å; N243-Y253 WeakPolarHBondContact O-CE1 3.37Å; A244-Y253 PolarHBondContact O-OH 2.63Å; P247-Y253 HydrophobicContact CB-CD1 4.42Å; P247-Y253 HydrophobicContact CB-CE1 3.92Å
254	R	97.9	Very high	97.1	Very high	15 Å²	15	45 Å²	45	6%	0.057	21%	0.208	C	C	.	.	P	Polyproline II helix	trans	-54.3	149	-174.1	72.9	-177.7	-75.2	-85.9	-2.7	112.7	P220 G221 D226 T259 D465 R467 D468	P220-R254 PolarHBondContact O-NH2 3.46Å; G221-R254 PolarHBondContact O-NH1 3.35Å; G221-R254 PolarHBondContact O-NH2 3.24Å; D226-R254 IonicContact OD2-CZ 2.69Å; D226-R254 IonicContact OD2-NH1 3.57Å; D226-R254 PolarHBondContact OD2-NH1 2.82Å; R254-T259 HydrophobicContact CB-CG2 4.41Å; R254-D465 HydrophobicContact CB-CB 4.06Å; R254-D465 WeakPolarHBondContact CD-OD2 3.34Å; R254-D465 HydrophobicContact CG-CB 4.42Å; R254-R467 VanDerWaalsContact CD-NH2 3.29Å; R254-D468 WeakPolarHBondContact CD-OD2 3.46Å; R254-D468 IonicContact CZ-OD2 3.71Å; R254-D468 IonicContact NE-OD1 3.54Å; R254-D468 IonicContact NE-OD2 2.86Å; R254-D468 PolarHBondContact NE-OD2 3.14Å; R254-D468 IonicContact NH2-OD1 3.6Å; R254-D468 IonicContact NH2-OD2 3.59Å
255	E	97.4	Very high	97.1	Very high	70 Å²	70	44.8 Å²	44.8	33%	0.327	21%	0.205	S	C	.	.			trans	-124.6	120.9	164.8	-64.7	-177.9	66.7	0	0	108.6	H257 F258 T259	E255-H257 PolarHBondContact O-N 2.88Å; E255-H257 IonicContact OE1-CD2 3.71Å; E255-H257 IonicContact OE1-CE1 2.82Å; E255-H257 IonicContact OE1-NE2 3.61Å; E255-H257 PolarHBondContact OE1-NE2 3.02Å; E255-F258 HydrophobicContact CB-CD2 3.86Å; E255-F258 HydrophobicContact CB-CE2 4.47Å; E255-F258 HydrophobicContact CG-CD2 4.46Å; E255-F258 PolarHBondContact O-N 2.9Å; E255-F258 VanDerWaalsContact O-N 3.1Å; E255-T259 PolarHBondContact O-N 2.94Å; E255-T259 VanDerWaalsContact O-N 3.13Å
256	S	96.6	Very high	97.1	Very high	8 Å²	8	34.9 Å²	34.9	6%	0.056	17%	0.168	C	C	.	.	H	α-helix	trans	-59.5	-31.1	-171.1	55.5	0	0	0	0	114	P220 T222 T259 Q260	P220-S256 WeakPolarHBondContact O-CB 3.27Å; T222-S256 PolarHBondContact OG1-OG 3.36Å; S256-T259 PolarHBondContact O-N 3.11Å; S256-Q260 WeakPolarHBondContact O-CB 3.42Å; S256-Q260 PolarHBondContact O-N 2.8Å
257	H	93.6	Very high	97.2	Very high	74 Å²	74	32.4 Å²	32.4	34%	0.343	16%	0.158	S	C	.	.	H	α-helix	trans	-68.7	-32.7	178	67.2	83	0	0	0	113.5	M212 E255	M212-H257 HydrophobicContact CE-CB 3.69Å; E255-H257 PolarHBondContact O-N 2.88Å; E255-H257 IonicContact OE1-CD2 3.71Å; E255-H257 IonicContact OE1-CE1 2.82Å; E255-H257 IonicContact OE1-NE2 3.61Å; E255-H257 PolarHBondContact OE1-NE2 3.02Å
258	F	94.2	Very high	97.2	Very high	47 Å²	47	31.1 Å²	31.1	21%	0.206	15%	0.15	C	C	.	.	H	α-helix	trans	-76.2	-42.1	171.6	-66	-41.9	0	0	0	111.2	E255 Q260 I261 Y373	E255-F258 HydrophobicContact CB-CD2 3.86Å; E255-F258 HydrophobicContact CB-CE2 4.47Å; E255-F258 HydrophobicContact CG-CD2 4.46Å; E255-F258 PolarHBondContact O-N 2.9Å; E255-F258 VanDerWaalsContact O-N 3.1Å; F258-Q260 VanDerWaalsContact C-N 3.33Å; F258-Q260 PolarHBondContact O-N 2.86Å; F258-I261 PolarHBondContact O-N 2.82Å; F258-Y373 HydrophobicContact CB-CD2 3.8Å; F258-Y373 HydrophobicContact CB-CE2 4.31Å; F258-Y373 HydrophobicContact CB-CG 3.95Å; F258-Y373 HydrophobicContact CD1-CD2 4.36Å; F258-Y373 HydrophobicContact CD1-CE2 4.03Å; F258-Y373 HydrophobicContact CG-CD2 4.22Å; F258-Y373 HydrophobicContact CG-CE2 4.23Å
259	T	97	Very high	97.2	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.006	15%	0.147	C	C	.	.	H	α-helix	trans	-73	-26.7	-173.1	73.8	0	0	0	0	113.8	R254 E255 S256 I261 N263 W463 D468	R254-T259 HydrophobicContact CB-CG2 4.41Å; E255-T259 PolarHBondContact O-N 2.94Å; E255-T259 VanDerWaalsContact O-N 3.13Å; S256-T259 PolarHBondContact O-N 3.11Å; T259-I261 VanDerWaalsContact C-N 3.29Å; T259-I261 PolarHBondContact O-N 2.8Å; T259-N263 PolarHBondContact O-N 3.21Å; T259-N263 PolarHBondContact O-ND2 3.39Å; T259-W463 VanDerWaalsContact CA-CZ3 3.49Å; T259-W463 HydrophobicContact CG2-CE3 3.99Å; T259-W463 HydrophobicContact CG2-CZ3 4.13Å; T259-W463 WeakPolarHBondContact O-CH2 3.43Å; T259-W463 WeakPolarHBondContact O-CZ3 3.03Å; T259-D468 VanDerWaalsContact CB-OD1 3.24Å; T259-D468 WeakPolarHBondContact CB-OD1 3.37Å; T259-D468 PolarHBondContact OG1-OD1 2.8Å
260	Q	97.4	Very high	97.2	Very high	11 Å²	11	27.3 Å²	27.3	5%	0.051	13%	0.126	C	C	.	.	H	α-helix	trans	-59.7	-38.1	175.4	-179.1	171	-78.6	0	0	112.5	D185 Y208 S211 S256 F258 K262 N263 H264	D185-Q260 HydrophobicContact CB-CG 4.31Å; D185-Q260 PolarHBondContact OD2-NE2 2.98Å; Y208-Q260 HydrophobicContact CD1-CG 4.3Å; Y208-Q260 HydrophobicContact CE1-CG 4.11Å; S211-Q260 VanDerWaalsContact CA-OE1 3.23Å; S256-Q260 WeakPolarHBondContact O-CB 3.42Å; S256-Q260 PolarHBondContact O-N 2.8Å; F258-Q260 VanDerWaalsContact C-N 3.33Å; F258-Q260 PolarHBondContact O-N 2.86Å; Q260-K262 PolarHBondContact O-N 3.11Å; Q260-N263 PolarHBondContact O-N 2.81Å; Q260-H264 VanDerWaalsContact O-CB 3.23Å; Q260-H264 WeakPolarHBondContact O-CB 3.42Å; Q260-H264 PolarHBondContact O-N 2.83Å
261	I	96.6	Very high	97.2	Very high	39 Å²	39	22.4 Å²	22.4	20%	0.2	11%	0.105	C	C	.	.	H	α-helix	trans	-60.7	-49.1	-172.4	-60.1	166.5	0	0	0	111	F258 T259 W265 L411	F258-I261 PolarHBondContact O-N 2.82Å; T259-I261 VanDerWaalsContact C-N 3.29Å; T259-I261 PolarHBondContact O-N 2.8Å; I261-W265 VanDerWaalsContact O-CB 3.31Å; I261-W265 WeakPolarHBondContact O-CB 3.43Å; I261-W265 PolarHBondContact O-N 2.96Å; I261-L411 HydrophobicContact CD1-CD1 3.34Å
262	K	98	Very high	97.3	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-71.4	-36.4	179.9	168.8	175.8	175.6	-174.3	0	112.7	Q260 W265 L266 F367 Y370 D372 Y373 W375 S378 W463	Q260-K262 PolarHBondContact O-N 3.11Å; K262-W265 PolarHBondContact O-N 3.03Å; K262-L266 PolarHBondContact O-N 2.72Å; K262-L266 VanDerWaalsContact O-N 3.1Å; K262-F367 HydrophobicContact CD-CE1 4.08Å; K262-F367 HydrophobicContact CD-CZ 4.24Å; K262-F367 WeakPolarHBondContact CE-O 3.48Å; K262-F367 HydrophobicContact CG-CE1 3.74Å; K262-F367 HydrophobicContact CG-CZ 3.88Å; K262-F367 PolarHBondContact NZ-O 2.93Å; K262-Y370 PolarHBondContact NZ-O 2.95Å; K262-D372 VanDerWaalsContact CD-O 3.28Å; K262-D372 WeakPolarHBondContact CD-O 3.33Å; K262-D372 PolarHBondContact NZ-O 2.78Å; K262-Y373 WeakPolarHBondContact CB-O 3.38Å; K262-W375 HydrophobicContact CB-CB 4.24Å; K262-W375 HydrophobicContact CG-CB 4.27Å; K262-S378 WeakPolarHBondContact CE-OG 3.15Å; K262-S378 PolarHBondContact NZ-OG 3.26Å; K262-W463 HydrophobicContact CB-CE3 4.43Å; K262-W463 HydrophobicContact CB-CH2 3.64Å; K262-W463 HydrophobicContact CB-CZ2 4.4Å; K262-W463 HydrophobicContact CB-CZ3 3.63Å; K262-W463 HydrophobicContact CD-CD2 3.78Å; K262-W463 HydrophobicContact CD-CE3 3.88Å; K262-W463 HydrophobicContact CD-CG 4.45Å; K262-W463 HydrophobicContact CD-CH2 3.71Å; K262-W463 HydrophobicContact CD-CZ2 3.67Å; K262-W463 HydrophobicContact CD-CZ3 3.77Å; K262-W463 HydrophobicContact CG-CH2 3.54Å; K262-W463 HydrophobicContact CG-CZ2 3.8Å; K262-W463 HydrophobicContact CG-CZ3 3.9Å; K262-W463 VanDerWaalsContact NZ-CD1 3.28Å
263	N	97.8	Very high	97.2	Very high	1 Å²	1	13.8 Å²	13.8	1%	0.005	6%	0.064	C	C	.	.	H	α-helix	trans	-67.8	-45.1	175.2	-77.3	-48.4	0	0	0	112.3	Y208 T259 Q260 W265 L266 W267 W463 L475	Y208-N263 WeakPolarHBondContact OH-CB 3.49Å; T259-N263 PolarHBondContact O-N 3.21Å; T259-N263 PolarHBondContact O-ND2 3.39Å; Q260-N263 PolarHBondContact O-N 2.81Å; N263-W265 VanDerWaalsContact C-N 3.27Å; N263-W265 PolarHBondContact O-N 2.87Å; N263-L266 PolarHBondContact O-N 2.8Å; N263-W267 WeakPolarHBondContact O-CB 3.28Å; N263-W267 PolarHBondContact O-N 3.44Å; N263-W463 HydrophobicContact CB-CH2 4.41Å; N263-W463 WeakPolarHBondContact ND2-CH2 3.48Å; N263-L475 HydrophobicContact CB-CD1 4.32Å; N263-L475 WeakPolarHBondContact O-CD1 3.31Å
264	H	98.3	Very high	97.1	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-60.4	-41.5	174.4	-177.7	-173.5	0	0	0	110.2	S183 D185 Y208 Q260 L266 W267 K268	S183-H264 PolarHBondContact O-CE1 3.38Å; S183-H264 PolarHBondContact O-NE2 3.27Å; S183-H264 PolarHBondContact OG-CD2 3.15Å; S183-H264 PolarHBondContact OG-NE2 2.87Å; D185-H264 WeakPolarHBondContact CB-ND1 3.47Å; D185-H264 VanDerWaalsContact CG-ND1 3.3Å; D185-H264 PolarHBondContact N-CE1 3.43Å; D185-H264 IonicContact OD2-CE1 3.14Å; D185-H264 IonicContact OD2-CG 2.75Å; D185-H264 IonicContact OD2-ND1 2.69Å; D185-H264 PolarHBondContact OD2-ND1 2.89Å; Y208-H264 HydrophobicContact CD1-CB 4.09Å; Y208-H264 HydrophobicContact CE1-CB 4.46Å; Y208-H264 HydrophobicContact CG-CB 4.13Å; Q260-H264 VanDerWaalsContact O-CB 3.23Å; Q260-H264 WeakPolarHBondContact O-CB 3.42Å; Q260-H264 PolarHBondContact O-N 2.83Å; H264-L266 VanDerWaalsContact C-N 3.33Å; H264-L266 PolarHBondContact O-N 3.27Å; H264-W267 PolarHBondContact O-N 2.87Å; H264-K268 WeakPolarHBondContact O-CB 3.01Å; H264-K268 WeakPolarHBondContact O-CG 3.48Å; H264-K268 PolarHBondContact O-N 3.33Å
265	W	98.3	Very high	96.9	Very high	4 Å²	4	18.1 Å²	18.1	2%	0.015	9%	0.087	C	C	.	.	H	α-helix	trans	-59.8	-44.5	179.1	-177.2	101.6	0	0	0	112.7	I261 K262 N263 K268 I269 L288 M350 W357 F367 W375	I261-W265 VanDerWaalsContact O-CB 3.31Å; I261-W265 WeakPolarHBondContact O-CB 3.43Å; I261-W265 PolarHBondContact O-N 2.96Å; K262-W265 PolarHBondContact O-N 3.03Å; N263-W265 VanDerWaalsContact C-N 3.27Å; N263-W265 PolarHBondContact O-N 2.87Å; W265-K268 VanDerWaalsContact CA-NZ 3.27Å; W265-K268 VanDerWaalsContact CG-NZ 3.32Å; W265-K268 WeakPolarHBondContact O-CG 3.38Å; W265-K268 PolarHBondContact O-NZ 3.49Å; W265-I269 HydrophobicContact CD2-CD1 3.79Å; W265-I269 HydrophobicContact CE3-CD1 4.04Å; W265-I269 HydrophobicContact CH2-CD1 3.51Å; W265-I269 HydrophobicContact CZ2-CD1 3.2Å; W265-I269 HydrophobicContact CZ3-CD1 3.93Å; W265-I269 WeakPolarHBondContact O-CD1 3.12Å; W265-I269 WeakPolarHBondContact O-CG1 3.37Å; W265-L288 HydrophobicContact CZ2-CD1 4.29Å; W265-M350 HydrophobicContact CH2-CE 4.46Å; W265-M350 HydrophobicContact CZ2-CE 3.5Å; W265-M350 VanDerWaalsContact CZ2-CE 3.5Å; W265-W357 HydrophobicContact CH2-CZ3 4.03Å; W265-W357 HydrophobicContact CZ3-CH2 4.41Å; W265-W357 HydrophobicContact CZ3-CZ3 4.26Å; W265-F367 HydrophobicContact CE3-CZ 4.14Å; W265-F367 HydrophobicContact CZ3-CE2 4.34Å; W265-F367 HydrophobicContact CZ3-CZ 4.16Å; W265-W375 HydrophobicContact CB-CB 3.99Å; W265-W375 HydrophobicContact CB-CG 3.89Å; W265-W375 AromaticContact CD1-CD1 3.69Å; W265-W375 AromaticContact CD1-CD2 3.29Å; W265-W375 AromaticContact CD1-CE2 3.4Å; W265-W375 AromaticContact CD1-CE3 3.78Å; W265-W375 AromaticContact CD1-CG 3.52Å; W265-W375 AromaticContact CD1-CZ2 3.98Å; W265-W375 AromaticContact CD1-NE1 3.61Å; W265-W375 HydrophobicContact CD2-CB 3.88Å; W265-W375 AromaticContact CD2-CD2 3.87Å; W265-W375 HydrophobicContact CD2-CD2 3.87Å; W265-W375 AromaticContact CD2-CE3 3.91Å; W265-W375 HydrophobicContact CD2-CE3 3.91Å; W265-W375 AromaticContact CD2-CG 3.87Å; W265-W375 HydrophobicContact CD2-CG 3.87Å; W265-W375 AromaticContact CE2-CD2 3.69Å; W265-W375 AromaticContact CE2-CE3 3.35Å; W265-W375 AromaticContact CE2-CZ3 3.83Å; W265-W375 HydrophobicContact CE3-CB 4.09Å; W265-W375 HydrophobicContact CG-CB 3.81Å; W265-W375 AromaticContact CG-CD1 3.84Å; W265-W375 AromaticContact CG-CD2 3.71Å; W265-W375 HydrophobicContact CG-CD2 3.71Å; W265-W375 HydrophobicContact CG-CE3 4.22Å; W265-W375 AromaticContact CG-CG 3.49Å; W265-W375 HydrophobicContact CG-CG 3.49Å; W265-W375 VanDerWaalsContact CG-CG 3.49Å; W265-W375 HydrophobicContact CH2-CE3 4.48Å; W265-W375 HydrophobicContact CZ2-CD2 4.49Å; W265-W375 AromaticContact CZ2-CE3 3.72Å; W265-W375 HydrophobicContact CZ2-CE3 3.72Å; W265-W375 AromaticContact CZ2-CZ3 3.99Å; W265-W375 HydrophobicContact CZ2-CZ3 3.99Å; W265-W375 AromaticContact NE1-CD2 3.29Å; W265-W375 VanDerWaalsContact NE1-CD2 3.29Å; W265-W375 AromaticContact NE1-CE2 3.55Å; W265-W375 AromaticContact NE1-CE3 3.24Å; W265-W375 AromaticContact NE1-CG 3.97Å; W265-W375 AromaticContact NE1-CH2 3.76Å; W265-W375 AromaticContact NE1-CZ2 3.78Å; W265-W375 AromaticContact NE1-CZ3 3.51Å
266	L	98.1	Very high	96.8	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-68.6	-51.7	178	174.7	56	0	0	0	111.4	K262 N263 H264 K268 I269 E270 W357 L364 F367 C472 L475 F476	K262-L266 PolarHBondContact O-N 2.72Å; K262-L266 VanDerWaalsContact O-N 3.1Å; N263-L266 PolarHBondContact O-N 2.8Å; H264-L266 VanDerWaalsContact C-N 3.33Å; H264-L266 PolarHBondContact O-N 3.27Å; L266-K268 VanDerWaalsContact C-N 3.34Å; L266-K268 PolarHBondContact O-N 3.47Å; L266-I269 PolarHBondContact O-N 3.09Å; L266-E270 WeakPolarHBondContact O-CB 3.46Å; L266-E270 PolarHBondContact O-N 3.04Å; L266-E270 VanDerWaalsContact O-N 3.09Å; L266-W357 HydrophobicContact CD1-CH2 3.88Å; L266-W357 HydrophobicContact CD1-CZ2 4.25Å; L266-L364 HydrophobicContact CD1-CD1 3.92Å; L266-L364 HydrophobicContact CD1-CD2 3.57Å; L266-L364 HydrophobicContact CD1-CG 4.41Å; L266-L364 HydrophobicContact CD2-CD2 4.47Å; L266-F367 HydrophobicContact CD2-CE1 4.43Å; L266-C472 VanDerWaalsContact CD2-SG 3.54Å; L266-L475 HydrophobicContact CB-CD1 4.29Å; L266-L475 HydrophobicContact CD2-CB 4.33Å; L266-L475 HydrophobicContact CD2-CD1 4.12Å; L266-L475 HydrophobicContact CG-CB 4.42Å; L266-L475 HydrophobicContact CG-CD1 4.17Å; L266-F476 HydrophobicContact CD2-CD1 4.45Å
267	W	98	Very high	96.8	Very high	1 Å²	1	18.1 Å²	18.1	0%	0.004	8%	0.083	C	C	.	.	H	α-helix	trans	-56.2	-46.6	-176.9	171.1	81.2	0	0	0	112	S183 I206 F207 Y208 P209 N263 H264 I269 E270 F271 L475 Y498	S183-W267 WeakPolarHBondContact OG-CZ3 3.29Å; I206-W267 HydrophobicContact CB-CH2 4.06Å; I206-W267 HydrophobicContact CD1-CH2 3.96Å; I206-W267 HydrophobicContact CD1-CZ3 3.96Å; I206-W267 HydrophobicContact CG1-CH2 3.98Å; I206-W267 HydrophobicContact CG1-CZ3 4.09Å; F207-W267 VanDerWaalsContact O-CH2 3.23Å; F207-W267 WeakPolarHBondContact O-CH2 3.49Å; Y208-W267 HydrophobicContact CD2-CB 3.76Å; Y208-W267 AromaticContact CD2-CD2 3.69Å; Y208-W267 HydrophobicContact CD2-CD2 3.69Å; Y208-W267 AromaticContact CD2-CE3 3.78Å; Y208-W267 HydrophobicContact CD2-CE3 3.78Å; Y208-W267 AromaticContact CD2-CG 3.67Å; Y208-W267 HydrophobicContact CD2-CG 3.67Å; Y208-W267 HydrophobicContact CE2-CB 3.78Å; Y208-W267 HydrophobicContact CE2-CD2 4.48Å; Y208-W267 AromaticContact CE2-CG 4Å; Y208-W267 HydrophobicContact CE2-CG 4Å; Y208-W267 HydrophobicContact CG-CE3 4.33Å; P209-W267 HydrophobicContact CG-CZ2 4.33Å; N263-W267 WeakPolarHBondContact O-CB 3.28Å; N263-W267 PolarHBondContact O-N 3.44Å; H264-W267 PolarHBondContact O-N 2.87Å; W267-I269 VanDerWaalsContact C-N 3.29Å; W267-I269 PolarHBondContact O-N 3.24Å; W267-E270 PolarHBondContact O-N 3.4Å; W267-F271 HydrophobicContact CZ2-CB 4.3Å; W267-F271 HydrophobicContact CZ2-CD1 4.39Å; W267-F271 HydrophobicContact CZ2-CD2 4.27Å; W267-F271 HydrophobicContact CZ2-CG 4.06Å; W267-F271 VanDerWaalsContact O-CB 3.23Å; W267-F271 WeakPolarHBondContact O-CB 3.4Å; W267-F271 PolarHBondContact O-N 2.93Å; W267-L475 HydrophobicContact CB-CD1 3.99Å; W267-L475 HydrophobicContact CB-CD2 4.1Å; W267-L475 HydrophobicContact CG-CD2 4.39Å; W267-Y498 AromaticContact CD1-CE1 3.79Å; W267-Y498 AromaticContact NE1-CE1 3.67Å
268	K	97.9	Very high	96.9	Very high	3 Å²	3	14.6 Å²	14.6	1%	0.013	7%	0.067	C	C	.	.	H	α-helix	trans	-63.5	-37.7	-174	76.4	-178.7	-170.4	-72	0	112.1	I152 Q154 S183 H264 W265 L266 V272	I152-K268 HydrophobicContact CG2-CD 4.08Å; I152-K268 HydrophobicContact CG2-CG 4.32Å; Q154-K268 HydrophobicContact CB-CD 4.11Å; Q154-K268 HydrophobicContact CG-CD 4.4Å; S183-K268 WeakPolarHBondContact OG-CB 3.49Å; H264-K268 WeakPolarHBondContact O-CB 3.01Å; H264-K268 WeakPolarHBondContact O-CG 3.48Å; H264-K268 PolarHBondContact O-N 3.33Å; W265-K268 VanDerWaalsContact CA-NZ 3.27Å; W265-K268 VanDerWaalsContact CG-NZ 3.32Å; W265-K268 WeakPolarHBondContact O-CG 3.38Å; W265-K268 PolarHBondContact O-NZ 3.49Å; L266-K268 VanDerWaalsContact C-N 3.34Å; L266-K268 PolarHBondContact O-N 3.47Å; K268-V272 VanDerWaalsContact O-CB 3.29Å; K268-V272 WeakPolarHBondContact O-CB 3.3Å; K268-V272 WeakPolarHBondContact O-CG2 3.25Å; K268-V272 PolarHBondContact O-N 3.37Å
269	I	97.7	Very high	97.1	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-74.7	-45.6	-178.3	-58.3	169.7	0	0	0	109.4	W265 L266 W267 F271 V272 M273 L288 W357	W265-I269 HydrophobicContact CD2-CD1 3.79Å; W265-I269 HydrophobicContact CE3-CD1 4.04Å; W265-I269 HydrophobicContact CH2-CD1 3.51Å; W265-I269 HydrophobicContact CZ2-CD1 3.2Å; W265-I269 HydrophobicContact CZ3-CD1 3.93Å; W265-I269 WeakPolarHBondContact O-CD1 3.12Å; W265-I269 WeakPolarHBondContact O-CG1 3.37Å; L266-I269 PolarHBondContact O-N 3.09Å; W267-I269 VanDerWaalsContact C-N 3.29Å; W267-I269 PolarHBondContact O-N 3.24Å; I269-F271 VanDerWaalsContact C-N 3.34Å; I269-F271 PolarHBondContact O-N 3.01Å; I269-V272 PolarHBondContact O-N 3.46Å; I269-M273 HydrophobicContact CG2-CE 3.75Å; I269-M273 HydrophobicContact CG2-CG 4.09Å; I269-M273 HydrophobicContact CG2-SD 4.22Å; I269-M273 WeakPolarHBondContact O-CB 3.32Å; I269-M273 WeakPolarHBondContact O-CG 3.09Å; I269-M273 PolarHBondContact O-N 3.27Å; I269-L288 HydrophobicContact CD1-CD1 3.63Å; I269-L288 HydrophobicContact CD1-CD2 4.24Å; I269-L288 HydrophobicContact CG1-CD1 4.32Å; I269-L288 HydrophobicContact CG1-CD2 4.02Å; I269-W357 HydrophobicContact CB-CH2 3.7Å; I269-W357 HydrophobicContact CB-CZ2 4.07Å; I269-W357 HydrophobicContact CB-CZ3 3.95Å; I269-W357 HydrophobicContact CD1-CH2 4.38Å; I269-W357 HydrophobicContact CD1-CZ3 4.07Å; I269-W357 HydrophobicContact CG2-CD2 3.74Å; I269-W357 HydrophobicContact CG2-CE3 3.52Å; I269-W357 HydrophobicContact CG2-CH2 3.56Å; I269-W357 HydrophobicContact CG2-CZ2 3.77Å; I269-W357 HydrophobicContact CG2-CZ3 3.43Å; I269-W357 VanDerWaalsContact CG2-CZ3 3.43Å
270	E	97.3	Very high	97	Very high	9 Å²	9	17 Å²	17	4%	0.042	8%	0.077	C	C	.	.	H	α-helix	trans	-58.4	-47.1	176.3	-176.3	59.3	-160.4	0	0	111.3	L266 W267 M273 N274 H275 W357 Y498	L266-E270 WeakPolarHBondContact O-CB 3.46Å; L266-E270 PolarHBondContact O-N 3.04Å; L266-E270 VanDerWaalsContact O-N 3.09Å; W267-E270 PolarHBondContact O-N 3.4Å; E270-M273 PolarHBondContact O-N 3.39Å; E270-N274 WeakPolarHBondContact O-CB 3.11Å; E270-N274 PolarHBondContact O-N 3.03Å; E270-N274 PolarHBondContact OE1-ND2 3.4Å; E270-N274 PolarHBondContact OE2-ND2 2.87Å; E270-N274 VanDerWaalsContact OE2-ND2 3.12Å; E270-H275 IonicContact OE1-NE2 3.44Å; E270-W357 HydrophobicContact CB-CZ2 4.19Å; E270-W357 WeakPolarHBondContact OE2-CZ2 3.23Å; E270-W357 PolarHBondContact OE2-NE1 2.73Å; E270-W357 VanDerWaalsContact OE2-NE1 3.13Å; E270-Y498 HydrophobicContact CG-CE2 4.48Å; E270-Y498 WeakPolarHBondContact CG-OH 3.46Å
271	F	97.3	Very high	96.8	Very high	2 Å²	2	20.2 Å²	20.2	1%	0.009	9%	0.09	C	C	.	.	I	π-helix	trans	-57.4	-54.4	175.8	-173.7	-105.5	0	0	0	111.5	N120 Q123 I206 W267 I269 M273 H275 F276 Y498	N120-F271 HydrophobicContact CB-CZ 4.28Å; Q123-F271 HydrophobicContact CG-CZ 4.35Å; I206-F271 HydrophobicContact CB-CD1 4.49Å; I206-F271 HydrophobicContact CB-CE1 4.26Å; I206-F271 HydrophobicContact CD1-CD1 3.75Å; I206-F271 HydrophobicContact CD1-CE1 4.34Å; I206-F271 HydrophobicContact CG2-CD1 4.27Å; I206-F271 HydrophobicContact CG2-CE1 3.78Å; W267-F271 HydrophobicContact CZ2-CB 4.3Å; W267-F271 HydrophobicContact CZ2-CD1 4.39Å; W267-F271 HydrophobicContact CZ2-CD2 4.27Å; W267-F271 HydrophobicContact CZ2-CG 4.06Å; W267-F271 VanDerWaalsContact O-CB 3.23Å; W267-F271 WeakPolarHBondContact O-CB 3.4Å; W267-F271 PolarHBondContact O-N 2.93Å; I269-F271 VanDerWaalsContact C-N 3.34Å; I269-F271 PolarHBondContact O-N 3.01Å; F271-M273 PolarHBondContact O-N 3.21Å; F271-H275 HydrophobicContact CD2-CB 3.89Å; F271-H275 HydrophobicContact CE2-CB 4.22Å; F271-H275 CarbonylContact O-C 3.54Å; F271-H275 WeakPolarHBondContact O-CA 3.43Å; F271-H275 PolarHBondContact O-N 2.89Å; F271-F276 HydrophobicContact CD1-CD2 4.31Å; F271-F276 AromaticContact CE1-CD2 3.7Å; F271-F276 HydrophobicContact CE1-CD2 3.7Å; F271-F276 HydrophobicContact CE1-CE2 4.34Å; F271-F276 HydrophobicContact CZ-CD2 4.4Å; F271-F276 WeakPolarHBondContact O-CB 3.47Å; F271-F276 PolarHBondContact O-N 2.79Å; F271-Y498 HydrophobicContact CB-CE1 4.07Å; F271-Y498 AromaticContact CD2-CD1 3.51Å; F271-Y498 HydrophobicContact CD2-CD1 3.51Å; F271-Y498 AromaticContact CD2-CE1 3.86Å; F271-Y498 HydrophobicContact CD2-CE1 3.86Å; F271-Y498 HydrophobicContact CE2-CD1 4.18Å; F271-Y498 HydrophobicContact CG-CE1 4.49Å
272	V	97.8	Very high	96.8	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	8%	0.082	C	C	.	.	I	π-helix	trans	-67.5	-33.7	-175.7	171.8	0	0	0	0	112.7	I152 I181 I206 K268 I269 F276 T279 F286	I152-V272 HydrophobicContact CD1-CB 3.8Å; I152-V272 HydrophobicContact CD1-CG1 3.5Å; I152-V272 HydrophobicContact CD1-CG2 4.17Å; I152-V272 HydrophobicContact CG1-CG1 4.07Å; I181-V272 HydrophobicContact CD1-CB 4.4Å; I181-V272 HydrophobicContact CD1-CG1 3.5Å; I181-V272 VanDerWaalsContact CD1-CG1 3.5Å; I181-V272 HydrophobicContact CD1-CG2 3.93Å; I181-V272 HydrophobicContact CG2-CG2 3.97Å; I206-V272 HydrophobicContact CD1-CG2 3.78Å; K268-V272 VanDerWaalsContact O-CB 3.29Å; K268-V272 WeakPolarHBondContact O-CB 3.3Å; K268-V272 WeakPolarHBondContact O-CG2 3.25Å; K268-V272 PolarHBondContact O-N 3.37Å; I269-V272 PolarHBondContact O-N 3.46Å; V272-F276 HydrophobicContact CG1-CD1 4.46Å; V272-F276 WeakPolarHBondContact O-CB 3.19Å; V272-T279 HydrophobicContact CG1-CG2 4.17Å; V272-T279 PolarHBondContact O-OG1 3.04Å; V272-F286 HydrophobicContact CG1-CD1 4.02Å; V272-F286 HydrophobicContact CG1-CE1 3.85Å
273	M	97	Very high	96.7	Very high	0 Å²	0	25 Å²	25	0%	0	11%	0.111	C	C	.	.	I	π-helix	trans	-82.7	-40.8	179.9	-65.9	-151.2	-171.9	0	0	111.9	I269 E270 F271 F286 V352 R354 W357	I269-M273 HydrophobicContact CG2-CE 3.75Å; I269-M273 HydrophobicContact CG2-CG 4.09Å; I269-M273 HydrophobicContact CG2-SD 4.22Å; I269-M273 WeakPolarHBondContact O-CB 3.32Å; I269-M273 WeakPolarHBondContact O-CG 3.09Å; I269-M273 PolarHBondContact O-N 3.27Å; E270-M273 PolarHBondContact O-N 3.39Å; F271-M273 PolarHBondContact O-N 3.21Å; M273-F286 HydrophobicContact CE-CB 3.73Å; M273-F286 HydrophobicContact CE-CD1 4.31Å; M273-F286 HydrophobicContact CE-CD2 3.38Å; M273-F286 HydrophobicContact CE-CE2 4Å; M273-F286 HydrophobicContact CE-CG 3.56Å; M273-F286 HydrophobicContact CG-CD1 4.46Å; M273-F286 HydrophobicContact CG-CD2 4.38Å; M273-F286 HydrophobicContact CG-CE1 4.24Å; M273-F286 HydrophobicContact CG-CE2 4.16Å; M273-F286 HydrophobicContact CG-CZ 4.07Å; M273-F286 HydrophobicContact SD-CD2 4.04Å; M273-F286 HydrophobicContact SD-CE2 4.04Å; M273-V352 HydrophobicContact CE-CB 4.49Å; M273-V352 HydrophobicContact CE-CG1 3.52Å; M273-V352 HydrophobicContact CE-CG2 4.39Å; M273-R354 VanDerWaalsContact O-CZ 3.3Å; M273-R354 PolarHBondContact O-NH1 3.22Å; M273-R354 PolarHBondContact O-NH2 3.49Å; M273-W357 HydrophobicContact CE-CB 4.28Å; M273-W357 HydrophobicContact CE-CG 4.41Å; M273-W357 HydrophobicContact SD-CB 3.53Å; M273-W357 VanDerWaalsContact SD-CB 3.53Å; M273-W357 HydrophobicContact SD-CD2 4.13Å; M273-W357 HydrophobicContact SD-CG 3.48Å
274	N	95.1	Very high	96.7	Very high	52 Å²	52	25.6 Å²	25.6	28%	0.278	12%	0.117	S	C	.	.	I	π-helix	trans	-107.5	-29.3	-168.1	-68.7	-26.7	0	0	0	115	E270 E361	E270-N274 WeakPolarHBondContact O-CB 3.11Å; E270-N274 PolarHBondContact O-N 3.03Å; E270-N274 PolarHBondContact OE1-ND2 3.4Å; E270-N274 PolarHBondContact OE2-ND2 2.87Å; E270-N274 VanDerWaalsContact OE2-ND2 3.12Å; N274-E361 PolarHBondContact ND2-OE1 2.96Å
275	H	94.4	Very high	96.7	Very high	59 Å²	59	25.7 Å²	25.7	27%	0.273	12%	0.117	S	C	.	.	I	π-helix	trans	-114.3	-3.4	-171	-59.8	-76.9	0	0	0	114.1	Q123 E270 F271 Y498	Q123-H275 PolarHBondContact NE2-O 2.72Å; E270-H275 IonicContact OE1-NE2 3.44Å; F271-H275 HydrophobicContact CD2-CB 3.89Å; F271-H275 HydrophobicContact CE2-CB 4.22Å; F271-H275 CarbonylContact O-C 3.54Å; F271-H275 WeakPolarHBondContact O-CA 3.43Å; F271-H275 PolarHBondContact O-N 2.89Å; H275-Y498 HydrophobicContact CB-CD1 4.38Å; H275-Y498 HydrophobicContact CB-CG 4.44Å; H275-Y498 AromaticContact CD2-CD1 3.97Å; H275-Y498 AromaticContact CD2-CD2 3.67Å; H275-Y498 AromaticContact CD2-CE1 3.85Å; H275-Y498 AromaticContact CD2-CE2 3.56Å; H275-Y498 AromaticContact CD2-CG 3.88Å; H275-Y498 AromaticContact CD2-CZ 3.67Å; H275-Y498 AromaticContact CE1-CD2 3.51Å; H275-Y498 AromaticContact CE1-CE2 3.85Å; H275-Y498 AromaticContact CG-CD2 3.93Å; H275-Y498 AromaticContact CG-CG 3.82Å; H275-Y498 AromaticContact ND1-CD2 3.84Å; H275-Y498 AromaticContact ND1-CG 3.97Å; H275-Y498 AromaticContact NE2-CD2 3.41Å; H275-Y498 WeakPolarHBondContact NE2-CD2 3.37Å; H275-Y498 AromaticContact NE2-CE2 3.27Å; H275-Y498 VanDerWaalsContact NE2-CE2 3.27Å; H275-Y498 WeakPolarHBondContact NE2-CE2 3.41Å; H275-Y498 AromaticContact NE2-CZ 3.83Å
276	F	96	Very high	96.7	Very high	2 Å²	2	25.5 Å²	25.5	1%	0.009	12%	0.116	C	C	.	.			trans	-101.1	119	-175	-162.7	-118	0	0	0	111.8	Q123 L179 I181 V204 I206 F271 V272 P278 T279 K280	Q123-F276 HydrophobicContact CB-CD2 4.1Å; Q123-F276 HydrophobicContact CB-CE2 3.6Å; Q123-F276 HydrophobicContact CB-CZ 4.48Å; Q123-F276 HydrophobicContact CG-CD2 3.79Å; Q123-F276 HydrophobicContact CG-CE2 3.75Å; L179-F276 HydrophobicContact CD2-CE1 4.08Å; I181-F276 HydrophobicContact CD1-CD1 4.07Å; I181-F276 HydrophobicContact CD1-CE1 3.71Å; I181-F276 HydrophobicContact CG1-CE1 4.24Å; V204-F276 HydrophobicContact CB-CZ 4.1Å; V204-F276 HydrophobicContact CG1-CE2 4.02Å; V204-F276 HydrophobicContact CG1-CZ 3.74Å; V204-F276 HydrophobicContact CG2-CZ 3.87Å; I206-F276 HydrophobicContact CG2-CE2 4.29Å; F271-F276 HydrophobicContact CD1-CD2 4.31Å; F271-F276 AromaticContact CE1-CD2 3.7Å; F271-F276 HydrophobicContact CE1-CD2 3.7Å; F271-F276 HydrophobicContact CE1-CE2 4.34Å; F271-F276 HydrophobicContact CZ-CD2 4.4Å; F271-F276 WeakPolarHBondContact O-CB 3.47Å; F271-F276 PolarHBondContact O-N 2.79Å; V272-F276 HydrophobicContact CG1-CD1 4.46Å; V272-F276 WeakPolarHBondContact O-CB 3.19Å; F276-P278 HydrophobicContact CD1-CB 4.14Å; F276-P278 HydrophobicContact CD1-CG 4.13Å; F276-P278 HydrophobicContact CE1-CB 3.63Å; F276-P278 HydrophobicContact CE1-CG 3.57Å; F276-P278 HydrophobicContact CE2-CG 4.24Å; F276-P278 HydrophobicContact CZ-CB 4.14Å; F276-P278 HydrophobicContact CZ-CG 3.59Å; F276-T279 HydrophobicContact CD1-CG2 3.76Å; F276-T279 WeakPolarHBondContact CD1-OG1 3.35Å; F276-T279 HydrophobicContact CE1-CG2 4.15Å; F276-T279 PolarHBondContact O-OG1 2.91Å; F276-K280 PolarHBondContact O-N 3Å
277	Y	95.8	Very high	96.7	Very high	75 Å²	75	25.6 Å²	25.6	29%	0.294	12%	0.117	S	C	.	.	G	3₁₀ helix	trans	-64.5	-44.6	-176.9	-67.8	-81.8	0	0	0	113.1	P135 R137 F140 T279 K280	P135-Y277 CarbonylContact O-C 3.58Å; P135-Y277 VanDerWaalsContact O-C 3.32Å; P135-Y277 WeakPolarHBondContact O-CB 3.49Å; R137-Y277 HydrophobicContact CB-CD2 4.12Å; R137-Y277 HydrophobicContact CB-CE2 3.67Å; R137-Y277 HydrophobicContact CG-CE2 4.17Å; F140-Y277 HydrophobicContact CB-CD1 4.35Å; F140-Y277 HydrophobicContact CB-CE1 4.47Å; F140-Y277 AromaticContact CD2-CD1 3.59Å; F140-Y277 HydrophobicContact CD2-CD1 3.59Å; F140-Y277 HydrophobicContact CD2-CE1 4.2Å; F140-Y277 HydrophobicContact CE2-CD1 4.1Å; F140-Y277 AromaticContact CG-CD1 4Å; F140-Y277 HydrophobicContact CG-CD1 4Å; F140-Y277 HydrophobicContact CG-CE1 4.18Å; Y277-T279 PolarHBondContact O-N 2.87Å; Y277-K280 VanDerWaalsContact O-CB 3.29Å; Y277-K280 WeakPolarHBondContact O-CB 3.26Å; Y277-K280 PolarHBondContact O-N 2.76Å
278	P	96.5	Very high	96.8	Very high	1 Å²	1	26 Å²	26	1%	0.006	12%	0.119	C	C	.	.	G	3₁₀ helix	trans	-61.2	-22.5	-175.1	-28.3	37	0	0	0	115.1	V125 L134 P135 L179 F276	V125-P278 HydrophobicContact CG2-CB 4.2Å; V125-P278 HydrophobicContact CG2-CG 3.65Å; L134-P278 HydrophobicContact CB-CB 3.98Å; L134-P278 HydrophobicContact CD1-CB 3.91Å; P135-P278 WeakPolarHBondContact O-CA 2.95Å; P135-P278 WeakPolarHBondContact O-CD 3.18Å; P135-P278 VanDerWaalsContact O-N 3.16Å; L179-P278 HydrophobicContact CD2-CB 3.95Å; F276-P278 HydrophobicContact CD1-CB 4.14Å; F276-P278 HydrophobicContact CD1-CG 4.13Å; F276-P278 HydrophobicContact CE1-CB 3.63Å; F276-P278 HydrophobicContact CE1-CG 3.57Å; F276-P278 HydrophobicContact CE2-CG 4.24Å; F276-P278 HydrophobicContact CZ-CB 4.14Å; F276-P278 HydrophobicContact CZ-CG 3.59Å
279	T	97.2	Very high	96.8	Very high	0 Å²	0	26 Å²	26	0%	0	12%	0.119	C	C	.	.	G	3₁₀ helix	trans	-107.2	4.1	-179.5	55.6	0	0	0	0	112.6	V150 L179 I181 V272 F276 Y277 Y281 Y282 F286 R354	V150-T279 HydrophobicContact CG1-CG2 4.02Å; V150-T279 HydrophobicContact CG2-CG2 3.95Å; L179-T279 HydrophobicContact CD2-CG2 3.97Å; I181-T279 HydrophobicContact CD1-CG2 4.09Å; V272-T279 HydrophobicContact CG1-CG2 4.17Å; V272-T279 PolarHBondContact O-OG1 3.04Å; F276-T279 HydrophobicContact CD1-CG2 3.76Å; F276-T279 WeakPolarHBondContact CD1-OG1 3.35Å; F276-T279 HydrophobicContact CE1-CG2 4.15Å; F276-T279 PolarHBondContact O-OG1 2.91Å; Y277-T279 PolarHBondContact O-N 2.87Å; T279-Y281 PolarHBondContact O-N 2.92Å; T279-Y281 VanDerWaalsContact O-N 3.14Å; T279-Y282 VanDerWaalsContact O-CB 3.29Å; T279-Y282 WeakPolarHBondContact O-CB 3.46Å; T279-Y282 PolarHBondContact O-N 3.02Å; T279-F286 HydrophobicContact CG2-CE1 4.05Å; T279-R354 PolarHBondContact O-NH2 3.3Å
280	K	95	Very high	96.8	Very high	97 Å²	97	28.6 Å²	28.6	42%	0.422	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-38.5	-171.7	-172.4	67.8	174	-173.5	0	113.5	F140 F276 Y277	F140-K280 HydrophobicContact CE2-CB 3.87Å; F140-K280 HydrophobicContact CE2-CG 3.61Å; F140-K280 HydrophobicContact CZ-CB 4.45Å; F140-K280 HydrophobicContact CZ-CD 4.5Å; F140-K280 HydrophobicContact CZ-CG 3.68Å; F276-K280 PolarHBondContact O-N 3Å; Y277-K280 VanDerWaalsContact O-CB 3.29Å; Y277-K280 WeakPolarHBondContact O-CB 3.26Å; Y277-K280 PolarHBondContact O-N 2.76Å
281	Y	94	Very high	96.7	Very high	79 Å²	79	28.3 Å²	28.3	31%	0.31	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.5	7.5	179.9	-55	-64.6	0	0	0	113.5	P135 F140 R144 T279 E283	P135-Y281 HydrophobicContact CG-CD2 4.03Å; P135-Y281 HydrophobicContact CG-CE2 4.22Å; F140-Y281 HydrophobicContact CD2-CE2 4.45Å; F140-Y281 AromaticContact CE2-CE2 3.79Å; F140-Y281 HydrophobicContact CE2-CE2 3.79Å; F140-Y281 AromaticContact CE2-CZ 3.77Å; F140-Y281 HydrophobicContact CZ-CE1 4.49Å; F140-Y281 HydrophobicContact CZ-CE2 4.29Å; F140-Y281 AromaticContact CZ-CZ 3.78Å; F140-Y281 VanDerWaalsContact CZ-OH 3.23Å; F140-Y281 WeakPolarHBondContact CZ-OH 3.19Å; R144-Y281 HydrophobicContact CB-CD2 4.22Å; R144-Y281 HydrophobicContact CB-CE2 4.11Å; R144-Y281 HydrophobicContact CG-CE2 3.93Å; T279-Y281 PolarHBondContact O-N 2.92Å; T279-Y281 VanDerWaalsContact O-N 3.14Å; Y281-E283 PolarHBondContact O-N 3.1Å
282	Y	96.6	Very high	96.5	Very high	11 Å²	11	28.5 Å²	28.5	4%	0.043	13%	0.131	C	C	.	.			trans	-74.2	120.8	179.1	-173.3	-111.6	0	0	0	110.8	S146 P147 N148 V150 T279 G284 Y285 F286 R354	S146-Y282 WeakPolarHBondContact OG-CA 3.46Å; S146-Y282 WeakPolarHBondContact OG-CB 3.36Å; S146-Y282 WeakPolarHBondContact OG-CD2 3.28Å; S146-Y282 PolarHBondContact OG-N 3.13Å; P147-Y282 HydrophobicContact CG-CD2 4.29Å; P147-Y282 VanDerWaalsContact O-CD2 3.31Å; P147-Y282 WeakPolarHBondContact O-CD2 3.44Å; P147-Y282 VanDerWaalsContact O-CE2 3.28Å; P147-Y282 WeakPolarHBondContact O-CE2 3.29Å; N148-Y282 PolarHBondContact O-OH 2.88Å; V150-Y282 HydrophobicContact CB-CD1 4.11Å; V150-Y282 HydrophobicContact CB-CE1 3.82Å; V150-Y282 HydrophobicContact CG2-CD1 3.54Å; V150-Y282 HydrophobicContact CG2-CD2 3.86Å; V150-Y282 HydrophobicContact CG2-CE1 3.61Å; V150-Y282 HydrophobicContact CG2-CE2 3.95Å; V150-Y282 HydrophobicContact CG2-CG 3.66Å; T279-Y282 VanDerWaalsContact O-CB 3.29Å; T279-Y282 WeakPolarHBondContact O-CB 3.46Å; T279-Y282 PolarHBondContact O-N 3.02Å; Y282-G284 VanDerWaalsContact CZ-CA 3.47Å; Y282-Y285 WeakPolarHBondContact CE1-O 3.29Å; Y282-Y285 PolarHBondContact OH-O 3.03Å; Y282-Y285 VanDerWaalsContact OH-O 3.11Å; Y282-F286 HydrophobicContact CD1-CD1 4.36Å; Y282-F286 HydrophobicContact CD1-CD2 4.08Å; Y282-F286 AromaticContact CD1-CE1 3.97Å; Y282-F286 HydrophobicContact CD1-CE1 3.97Å; Y282-F286 AromaticContact CD1-CE2 3.64Å; Y282-F286 HydrophobicContact CD1-CE2 3.64Å; Y282-F286 HydrophobicContact CD1-CG 4.43Å; Y282-F286 AromaticContact CD1-CZ 3.59Å; Y282-F286 HydrophobicContact CD1-CZ 3.59Å; Y282-F286 HydrophobicContact CE1-CD2 4.22Å; Y282-F286 HydrophobicContact CE1-CE2 4.24Å; Y282-F286 HydrophobicContact CE1-CG 4.42Å; Y282-F286 HydrophobicContact CE1-CZ 4.46Å; Y282-F286 HydrophobicContact CG-CZ 4.44Å; Y282-R354 WeakPolarHBondContact O-CD 3.13Å; Y282-R354 PolarHBondContact O-NE 2.94Å
283	E	95.6	Very high	96.4	Very high	130 Å²	130	28.7 Å²	28.7	61%	0.607	13%	0.132	S	C	*	.			trans	-106.9	0	-178.7	-67.6	-171.3	155.2	0	0	113.4	Y281 P313 L314	Y281-E283 PolarHBondContact O-N 3.1Å; E283-P313 WeakPolarHBondContact O-CB 3.39Å; E283-P313 VanDerWaalsContact O-CG 3.27Å; E283-P313 WeakPolarHBondContact O-CG 3.29Å; E283-L314 HydrophobicContact CB-CD2 4.11Å; E283-L314 HydrophobicContact CG-CD2 4.4Å
284	G	97.1	Very high	96.3	Very high	12 Å²	12	29.1 Å²	29.1	12%	0.124	13%	0.134	C	C	.	.	S	Bend	trans	-80.8	-169.3	178.3	0	0	0	0	0	114	Y282	Y282-G284 VanDerWaalsContact CZ-CA 3.47Å
285	Y	98.3	Very high	96.4	Very high	3 Å²	3	26.7 Å²	26.7	1%	0.012	12%	0.121	C	C	.	.			trans	-83.8	132.5	171.5	-71.1	-78.7	0	0	0	110.8	Y282 W311 P313 T316 I320 A351	Y282-Y285 WeakPolarHBondContact CE1-O 3.29Å; Y282-Y285 PolarHBondContact OH-O 3.03Å; Y282-Y285 VanDerWaalsContact OH-O 3.11Å; Y285-W311 WeakPolarHBondContact CE2-O 3.1Å; Y285-W311 PolarHBondContact OH-O 2.7Å; Y285-P313 HydrophobicContact CD1-CB 4.37Å; Y285-P313 HydrophobicContact CD2-CB 3.94Å; Y285-P313 HydrophobicContact CD2-CG 4.3Å; Y285-P313 HydrophobicContact CE1-CB 4.19Å; Y285-P313 HydrophobicContact CE2-CB 3.75Å; Y285-P313 HydrophobicContact CE2-CG 4.11Å; Y285-P313 HydrophobicContact CG-CB 4.24Å; Y285-T316 HydrophobicContact CE1-CG2 4.01Å; Y285-T316 WeakPolarHBondContact OH-CG2 3.36Å; Y285-I320 HydrophobicContact CD1-CD1 3.9Å; Y285-I320 HydrophobicContact CD2-CD1 3.67Å; Y285-I320 HydrophobicContact CE1-CD1 3.75Å; Y285-I320 HydrophobicContact CE1-CG1 4.18Å; Y285-I320 HydrophobicContact CE2-CD1 3.5Å; Y285-I320 VanDerWaalsContact CE2-CD1 3.5Å; Y285-I320 HydrophobicContact CG-CD1 3.87Å; Y285-A351 HydrophobicContact CD1-CB 4.34Å; Y285-A351 HydrophobicContact CG-CB 4.3Å
286	F	98.6	Very high	96.4	Very high	0 Å²	0	24 Å²	24	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	112.5	168.8	-65	-102.8	0	0	0	108.3	V150 I152 V272 M273 T279 Y282 A351 V352 R354	V150-F286 HydrophobicContact CB-CD1 3.94Å; V150-F286 HydrophobicContact CB-CE1 4.32Å; V150-F286 HydrophobicContact CG1-CD1 3.56Å; V150-F286 HydrophobicContact CG1-CE1 3.95Å; V150-F286 HydrophobicContact CG2-CE1 4.46Å; I152-F286 HydrophobicContact CD1-CB 4.27Å; I152-F286 HydrophobicContact CD1-CD1 4.01Å; V272-F286 HydrophobicContact CG1-CD1 4.02Å; V272-F286 HydrophobicContact CG1-CE1 3.85Å; M273-F286 HydrophobicContact CE-CB 3.73Å; M273-F286 HydrophobicContact CE-CD1 4.31Å; M273-F286 HydrophobicContact CE-CD2 3.38Å; M273-F286 HydrophobicContact CE-CE2 4Å; M273-F286 HydrophobicContact CE-CG 3.56Å; M273-F286 HydrophobicContact CG-CD1 4.46Å; M273-F286 HydrophobicContact CG-CD2 4.38Å; M273-F286 HydrophobicContact CG-CE1 4.24Å; M273-F286 HydrophobicContact CG-CE2 4.16Å; M273-F286 HydrophobicContact CG-CZ 4.07Å; M273-F286 HydrophobicContact SD-CD2 4.04Å; M273-F286 HydrophobicContact SD-CE2 4.04Å; T279-F286 HydrophobicContact CG2-CE1 4.05Å; Y282-F286 HydrophobicContact CD1-CD1 4.36Å; Y282-F286 HydrophobicContact CD1-CD2 4.08Å; Y282-F286 AromaticContact CD1-CE1 3.97Å; Y282-F286 HydrophobicContact CD1-CE1 3.97Å; Y282-F286 AromaticContact CD1-CE2 3.64Å; Y282-F286 HydrophobicContact CD1-CE2 3.64Å; Y282-F286 HydrophobicContact CD1-CG 4.43Å; Y282-F286 AromaticContact CD1-CZ 3.59Å; Y282-F286 HydrophobicContact CD1-CZ 3.59Å; Y282-F286 HydrophobicContact CE1-CD2 4.22Å; Y282-F286 HydrophobicContact CE1-CE2 4.24Å; Y282-F286 HydrophobicContact CE1-CG 4.42Å; Y282-F286 HydrophobicContact CE1-CZ 4.46Å; Y282-F286 HydrophobicContact CG-CZ 4.44Å; F286-A351 VanDerWaalsContact O-CA 3.3Å; F286-A351 WeakPolarHBondContact O-CA 3.48Å; F286-V352 HydrophobicContact CB-CG1 4.35Å; F286-V352 PolarHBondContact N-O 2.83Å; F286-V352 PolarHBondContact O-N 3.49Å; F286-R354 HydrophobicContact CE2-CG 3.87Å
287	I	98.6	Very high	96.4	Very high	2 Å²	2	25.8 Å²	25.8	1%	0.01	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	119.7	179.5	-59	171.7	0	0	0	108.7	V150 I151 I152 L289 L300 L322 A351	V150-I287 PolarHBondContact O-N 3.49Å; I151-I287 CarbonylContact C-O 3.39Å; I151-I287 WeakPolarHBondContact CA-O 3.5Å; I151-I287 HydrophobicContact CG1-CB 4.4Å; I152-I287 PolarHBondContact N-O 2.69Å; I287-L289 HydrophobicContact CG2-CD2 4.21Å; I287-L289 HydrophobicContact CG2-CG 4.21Å; I287-L300 HydrophobicContact CD1-CD2 4.11Å; I287-L322 HydrophobicContact CD1-CD1 3.99Å; I287-L322 HydrophobicContact CG1-CD1 4.07Å; I287-L322 HydrophobicContact CG2-CD1 3.97Å; I287-A351 HydrophobicContact CG1-CB 4.05Å
288	L	98.5	Very high	96.4	Very high	10 Å²	10	22.2 Å²	22.2	5%	0.052	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	124.1	179.1	-54.1	175.5	0	0	0	109.6	I152 W265 I269 G349 M350 V352	I152-L288 HydrophobicContact CB-CD2 3.84Å; I152-L288 HydrophobicContact CD1-CD2 3.75Å; I152-L288 HydrophobicContact CG1-CD2 4.14Å; I152-L288 WeakPolarHBondContact O-CA 3.5Å; W265-L288 HydrophobicContact CZ2-CD1 4.29Å; I269-L288 HydrophobicContact CD1-CD1 3.63Å; I269-L288 HydrophobicContact CD1-CD2 4.24Å; I269-L288 HydrophobicContact CG1-CD1 4.32Å; I269-L288 HydrophobicContact CG1-CD2 4.02Å; L288-G349 WeakPolarHBondContact O-CA 3.37Å; L288-M350 VanDerWaalsContact CB-O 3.29Å; L288-M350 WeakPolarHBondContact CB-O 3.38Å; L288-M350 HydrophobicContact CD1-CE 3.38Å; L288-M350 WeakPolarHBondContact CG-O 3.27Å; L288-M350 PolarHBondContact N-O 3.31Å; L288-M350 PolarHBondContact O-N 3.32Å; L288-V352 HydrophobicContact CD1-CG1 4.01Å; L288-V352 HydrophobicContact CG-CG1 4.35Å
289	L	98.4	Very high	96.4	Very high	3 Å²	3	22.3 Å²	22.3	2%	0.016	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	163.4	174.9	-58.4	175.9	0	0	0	110.2	I151 I152 I153 Q154 L165 I287 H293 V295 V402	I151-L289 HydrophobicContact CG2-CD1 3.56Å; I151-L289 HydrophobicContact CG2-CG 4.06Å; I152-L289 PolarHBondContact O-N 3.3Å; I153-L289 CarbonylContact C-O 3.53Å; I153-L289 WeakPolarHBondContact CA-O 3.28Å; I153-L289 HydrophobicContact CG1-CB 4.23Å; Q154-L289 PolarHBondContact N-O 2.82Å; L165-L289 HydrophobicContact CD1-CD1 4.17Å; I287-L289 HydrophobicContact CG2-CD2 4.21Å; I287-L289 HydrophobicContact CG2-CG 4.21Å; L289-H293 WeakPolarHBondContact CA-ND1 3.37Å; L289-H293 HydrophobicContact CD2-CB 4.36Å; L289-V295 HydrophobicContact CD1-CG1 3.76Å; L289-V295 HydrophobicContact CD2-CG1 4.28Å; L289-V402 HydrophobicContact CD2-CG1 3.97Å; L289-V402 HydrophobicContact CD2-CG2 3.93Å
290	E	97.3	Very high	96.5	Very high	53 Å²	53	22.4 Å²	22.4	25%	0.248	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	157.9	170.3	-58.9	-168	-168	0	0	108.2	L165 D292 H293	L165-E290 WeakPolarHBondContact CD2-O 3.46Å; E290-D292 WeakPolarHBondContact CB-OD1 3.27Å; E290-D292 PolarHBondContact O-N 2.85Å; E290-H293 PolarHBondContact N-CE1 3.38Å; E290-H293 PolarHBondContact N-ND1 2.84Å; E290-H293 WeakPolarHBondContact O-CB 3.46Å; E290-H293 PolarHBondContact O-N 3.5Å
291	E	95.7	Very high	96.6	Very high	4 Å²	4	20.9 Å²	20.9	2%	0.019	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-20.6	-176.2	64.3	-176	-180	0	0	114.6	Q154 H156 N157 R158 E161 L162	Q154-E291 PolarHBondContact O-N 2.91Å; H156-E291 PolarHBondContact N-OE2 3.06Å; N157-E291 PolarHBondContact N-OE2 3.23Å; R158-E291 HydrophobicContact CB-CG 4.24Å; R158-E291 VanDerWaalsContact CB-OE1 3.31Å; R158-E291 WeakPolarHBondContact CB-OE1 3.47Å; R158-E291 WeakPolarHBondContact CG-OE1 3.17Å; R158-E291 IonicContact CZ-OE1 2.75Å; R158-E291 PolarHBondContact N-OE1 3.15Å; R158-E291 PolarHBondContact N-OE2 3.35Å; R158-E291 IonicContact NE-OE1 3.77Å; R158-E291 PolarHBondContact NE-OE1 2.88Å; R158-E291 IonicContact NH2-OE1 2.75Å; E161-E291 CarbonylContact C-O 3.48Å; L162-E291 WeakPolarHBondContact CA-O 3.4Å; L162-E291 HydrophobicContact CB-CB 4.31Å; L162-E291 HydrophobicContact CD1-CB 4.27Å; L162-E291 PolarHBondContact N-O 3.35Å
292	D	93.8	Very high	96.7	Very high	5 Å²	5	17.1 Å²	17.1	3%	0.027	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.8	21.6	178.4	65.9	-11.9	0	0	0	114.2	R158 E161 E290 H404 S405 G406	R158-D292 IonicContact CZ-OD2 3.51Å; R158-D292 IonicContact NH1-OD2 2.63Å; R158-D292 PolarHBondContact NH1-OD2 2.6Å; R158-D292 IonicContact NH2-OD1 2.76Å; R158-D292 PolarHBondContact NH2-OD1 2.77Å; R158-D292 IonicContact NH2-OD2 2.75Å; R158-D292 PolarHBondContact NH2-OD2 3.24Å; E161-D292 HydrophobicContact CB-CB 4.02Å; E161-D292 HydrophobicContact CG-CB 3.89Å; E290-D292 WeakPolarHBondContact CB-OD1 3.27Å; E290-D292 PolarHBondContact O-N 2.85Å; D292-H404 CarbonylContact O-C 3.32Å; D292-H404 IonicContact OD1-CD2 3.67Å; D292-H404 IonicContact OD2-CD2 2.89Å; D292-H404 PolarHBondContact OD2-CD2 3.16Å; D292-H404 IonicContact OD2-NE2 3.73Å; D292-H404 PolarHBondContact OD2-NE2 2.7Å; D292-S405 WeakPolarHBondContact O-CA 3.44Å; D292-S405 PolarHBondContact O-N 2.93Å; D292-S405 PolarHBondContact O-OG 2.98Å; D292-G406 PolarHBondContact O-N 2.82Å
293	H	95.8	Very high	96.8	Very high	5 Å²	5	16.8 Å²	16.8	2%	0.023	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	157.5	164.3	-72.4	163.8	0	0	0	112.2	L165 L289 E290 V402 F403	L165-H293 VanDerWaalsContact CB-O 3.28Å; L165-H293 WeakPolarHBondContact CB-O 3.38Å; L165-H293 HydrophobicContact CD1-CB 4.35Å; L165-H293 WeakPolarHBondContact CD1-O 2.93Å; L289-H293 WeakPolarHBondContact CA-ND1 3.37Å; L289-H293 HydrophobicContact CD2-CB 4.36Å; E290-H293 PolarHBondContact N-CE1 3.38Å; E290-H293 PolarHBondContact N-ND1 2.84Å; E290-H293 WeakPolarHBondContact O-CB 3.46Å; E290-H293 PolarHBondContact O-N 3.5Å; H293-V402 HydrophobicContact CB-CG1 3.77Å; H293-F403 CarbonylContact C-O 3.56Å; H293-F403 VanDerWaalsContact CA-O 3.29Å; H293-F403 WeakPolarHBondContact CA-O 3.47Å
294	F	94.3	Very high	96.8	Very high	8 Å²	8	13.4 Å²	13.4	4%	0.035	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	128.3	167.5	-174.8	-80.1	0	0	0	108.3	V402 F403 V424 I427 L428	F294-V402 WeakPolarHBondContact O-CA 3.25Å; F294-F403 HydrophobicContact CB-CB 4.39Å; F294-F403 PolarHBondContact N-O 3.39Å; F294-F403 PolarHBondContact O-N 2.76Å; F294-V424 HydrophobicContact CD2-CB 4.45Å; F294-V424 HydrophobicContact CD2-CG1 4.07Å; F294-V424 HydrophobicContact CD2-CG2 3.68Å; F294-V424 HydrophobicContact CE2-CB 4.34Å; F294-V424 HydrophobicContact CE2-CG1 3.5Å; F294-V424 HydrophobicContact CE2-CG2 4.03Å; F294-V424 HydrophobicContact CG-CG2 4.48Å; F294-V424 HydrophobicContact CZ-CG1 4.2Å; F294-I427 HydrophobicContact CB-CD1 4.36Å; F294-I427 HydrophobicContact CD1-CD1 4.16Å; F294-I427 HydrophobicContact CD1-CG2 3.76Å; F294-I427 HydrophobicContact CE1-CB 4.42Å; F294-I427 HydrophobicContact CE1-CG2 3.56Å; F294-I427 HydrophobicContact CG-CD1 4.27Å; F294-I427 HydrophobicContact CZ-CG2 4.44Å; F294-L428 HydrophobicContact CZ-CD2 3.89Å; F294-L428 HydrophobicContact CZ-CG 4.32Å
295	V	96.5	Very high	96.8	Very high	2 Å²	2	13.8 Å²	13.8	1%	0.012	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	147.4	-176.2	-55.7	0	0	0	0	112.7	L165 S168 L169 L289 I299 R401 V402	L165-V295 HydrophobicContact CD1-CG1 4.12Å; S168-V295 WeakPolarHBondContact OG-CG2 3.35Å; S168-V295 PolarHBondContact OG-N 2.71Å; S168-V295 VanDerWaalsContact OG-N 3.12Å; L169-V295 HydrophobicContact CD2-CG2 3.86Å; L169-V295 HydrophobicContact CG-CG2 4.07Å; L289-V295 HydrophobicContact CD1-CG1 3.76Å; L289-V295 HydrophobicContact CD2-CG1 4.28Å; V295-I299 HydrophobicContact CB-CD1 4.11Å; V295-I299 HydrophobicContact CB-CG2 4.24Å; V295-I299 HydrophobicContact CG1-CD1 3.94Å; V295-I299 HydrophobicContact CG2-CG2 4.39Å; V295-R401 WeakPolarHBondContact CA-O 3.4Å; V295-V402 HydrophobicContact CG1-CG2 4.35Å
296	V	95.1	Very high	96.8	Very high	3 Å²	3	13.7 Å²	13.7	2%	0.018	7%	0.066	C	C	.	.			trans	-83.2	144.9	171.9	-178.1	0	0	0	0	109.8	D298 I299 R401 F403 F431 L439	V296-D298 PolarHBondContact O-N 3.28Å; V296-I299 WeakPolarHBondContact O-CB 3.14Å; V296-I299 VanDerWaalsContact O-CG2 3.31Å; V296-I299 WeakPolarHBondContact O-CG2 3.44Å; V296-I299 PolarHBondContact O-N 2.76Å; V296-R401 HydrophobicContact CB-CB 4.48Å; V296-R401 HydrophobicContact CB-CG 4.24Å; V296-R401 PolarHBondContact N-O 3.15Å; V296-F403 HydrophobicContact CG2-CD2 4.08Å; V296-F403 HydrophobicContact CG2-CE2 3.55Å; V296-F431 HydrophobicContact CB-CE2 4.47Å; V296-F431 HydrophobicContact CB-CZ 4.32Å; V296-F431 HydrophobicContact CG1-CE1 4.04Å; V296-F431 HydrophobicContact CG1-CE2 4.01Å; V296-F431 HydrophobicContact CG1-CZ 3.63Å; V296-F431 HydrophobicContact CG2-CE2 3.71Å; V296-F431 HydrophobicContact CG2-CZ 3.64Å; V296-L439 HydrophobicContact CG1-CD1 3.88Å; V296-L439 HydrophobicContact CG1-CD2 3.74Å
297	E	94.9	Very high	96.7	Very high	38 Å²	38	14.7 Å²	14.7	18%	0.178	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-22	-169.6	-60.1	-177.1	175.5	0	0	114.6	R171 T172 K173 Y440	R171-E297 HydrophobicContact CB-CG 3.89Å; T172-E297 WeakPolarHBondContact CA-O 3.48Å; K173-E297 PolarHBondContact N-O 2.87Å; E297-Y440 PolarHBondContact O-OH 2.96Å
298	D	96.2	Very high	96.6	Very high	1 Å²	1	21.5 Å²	21.5	1%	0.005	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.7	8.7	179.1	80.6	-21	0	0	0	114.5	V296 L300 H301 V302 R401 L439 Y440	V296-D298 PolarHBondContact O-N 3.28Å; D298-L300 VanDerWaalsContact C-N 3.3Å; D298-L300 PolarHBondContact O-N 2.65Å; D298-H301 HydrophobicContact CB-CB 4.45Å; D298-H301 WeakPolarHBondContact O-CB 3.41Å; D298-H301 PolarHBondContact O-N 3.02Å; D298-H301 VanDerWaalsContact O-N 3.07Å; D298-V302 PolarHBondContact O-N 3.06Å; D298-R401 WeakPolarHBondContact OD1-CG 3.41Å; D298-R401 IonicContact OD1-CZ 3.6Å; D298-R401 IonicContact OD1-NE 3.52Å; D298-R401 PolarHBondContact OD1-NE 2.85Å; D298-R401 IonicContact OD1-NH2 3.81Å; D298-R401 IonicContact OD2-CZ 2.82Å; D298-R401 IonicContact OD2-NE 3.77Å; D298-R401 IonicContact OD2-NH2 3.97Å; D298-R401 PolarHBondContact OD2-NH2 3.46Å; D298-L439 HydrophobicContact CB-CB 4.23Å; D298-L439 WeakPolarHBondContact OD2-CA 3.45Å; D298-Y440 HydrophobicContact CB-CD1 3.62Å; D298-Y440 HydrophobicContact CB-CD2 4.16Å; D298-Y440 HydrophobicContact CB-CE1 3.55Å; D298-Y440 HydrophobicContact CB-CE2 4.11Å; D298-Y440 HydrophobicContact CB-CG 3.93Å; D298-Y440 PolarHBondContact OD2-N 3.34Å
299	I	97.7	Very high	96.4	Very high	2 Å²	2	26.3 Å²	26.3	1%	0.01	13%	0.128	C	C	.	.	H	α-helix	trans	-53.1	-43.7	-176.1	-173.2	170.9	0	0	0	113.2	T172 V295 V296 S303 L322 R401 V402	T172-I299 HydrophobicContact CG2-CG2 3.63Å; V295-I299 HydrophobicContact CB-CD1 4.11Å; V295-I299 HydrophobicContact CB-CG2 4.24Å; V295-I299 HydrophobicContact CG1-CD1 3.94Å; V295-I299 HydrophobicContact CG2-CG2 4.39Å; V296-I299 WeakPolarHBondContact O-CB 3.14Å; V296-I299 VanDerWaalsContact O-CG2 3.31Å; V296-I299 WeakPolarHBondContact O-CG2 3.44Å; V296-I299 PolarHBondContact O-N 2.76Å; I299-S303 WeakPolarHBondContact O-CB 3.17Å; I299-S303 PolarHBondContact O-N 2.96Å; I299-L322 HydrophobicContact CD1-CD1 4.05Å; I299-L322 HydrophobicContact CG1-CD1 3.96Å; I299-R401 HydrophobicContact CB-CB 4.15Å; I299-R401 HydrophobicContact CB-CG 4.27Å; I299-R401 HydrophobicContact CD1-CB 4.39Å; I299-R401 HydrophobicContact CG1-CB 4.01Å; I299-V402 HydrophobicContact CD1-CG2 3.57Å
300	L	98.1	Very high	96.3	Very high	3 Å²	3	27.6 Å²	27.6	2%	0.016	14%	0.136	C	C	.	.	H	α-helix	trans	-70.2	-38.6	179.8	-63.4	-175.6	0	0	0	111.9	H149 I151 T172 I175 I287 D298 S303 E304	H149-L300 HydrophobicContact CB-CD1 4.49Å; H149-L300 HydrophobicContact CB-CD2 3.8Å; I151-L300 HydrophobicContact CD1-CD2 4.37Å; T172-L300 HydrophobicContact CG2-CB 4.35Å; T172-L300 HydrophobicContact CG2-CD1 3.82Å; T172-L300 HydrophobicContact CG2-CG 3.68Å; I175-L300 HydrophobicContact CB-CD1 4.41Å; I175-L300 HydrophobicContact CD1-CD1 3.9Å; I287-L300 HydrophobicContact CD1-CD2 4.11Å; D298-L300 VanDerWaalsContact C-N 3.3Å; D298-L300 PolarHBondContact O-N 2.65Å; L300-S303 PolarHBondContact O-N 3.14Å; L300-E304 VanDerWaalsContact O-CB 3.31Å; L300-E304 WeakPolarHBondContact O-CB 3.46Å; L300-E304 PolarHBondContact O-N 3.15Å
301	H	97.3	Very high	96.2	Very high	65 Å²	65	26.5 Å²	26.5	30%	0.301	13%	0.13	S	C	.	.	H	α-helix	trans	-61.6	-46.2	175.5	173.3	87.4	0	0	0	111.6	D298 E304 L305 Y440 P441	D298-H301 HydrophobicContact CB-CB 4.45Å; D298-H301 WeakPolarHBondContact O-CB 3.41Å; D298-H301 PolarHBondContact O-N 3.02Å; D298-H301 VanDerWaalsContact O-N 3.07Å; H301-E304 PolarHBondContact O-N 2.95Å; H301-L305 VanDerWaalsContact NE2-CD1 3.33Å; H301-L305 WeakPolarHBondContact NE2-CD1 3.19Å; H301-L305 WeakPolarHBondContact O-CG 3.39Å; H301-L305 PolarHBondContact O-N 3.14Å; H301-Y440 HydrophobicContact CB-CD1 3.95Å; H301-Y440 HydrophobicContact CB-CE1 4.35Å; H301-Y440 AromaticContact CG-CD1 3.9Å; H301-P441 PolarHBondContact NE2-O 3.03Å
302	V	97.1	Very high	96.3	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-65.7	-43.9	177.2	170.9	0	0	0	0	111.4	D298 E304 L305 I306 L396 P441 L444	D298-V302 PolarHBondContact O-N 3.06Å; V302-E304 VanDerWaalsContact C-N 3.25Å; V302-E304 PolarHBondContact O-N 3.21Å; V302-L305 PolarHBondContact O-N 3.45Å; V302-I306 HydrophobicContact CG1-CD1 4.09Å; V302-I306 WeakPolarHBondContact O-CG1 3.34Å; V302-I306 PolarHBondContact O-N 3.36Å; V302-L396 HydrophobicContact CG1-CD2 3.48Å; V302-L396 VanDerWaalsContact CG1-CD2 3.48Å; V302-P441 HydrophobicContact CG2-CG 4.35Å; V302-L444 HydrophobicContact CG1-CD1 4.29Å
303	S	97.2	Very high	96.5	Very high	4 Å²	4	28.6 Å²	28.6	3%	0.028	15%	0.145	C	C	.	.	H	α-helix	trans	-57.8	-40.7	174.6	-175.9	0	0	0	0	111.7	I299 L300 I306 S307	I299-S303 WeakPolarHBondContact O-CB 3.17Å; I299-S303 PolarHBondContact O-N 2.96Å; L300-S303 PolarHBondContact O-N 3.14Å; S303-I306 PolarHBondContact O-N 3.42Å; S303-S307 WeakPolarHBondContact O-CB 3.29Å; S303-S307 PolarHBondContact O-N 3.02Å
304	E	96.7	Very high	96.5	Very high	59 Å²	59	32.8 Å²	32.8	28%	0.276	17%	0.167	S	C	.	.	H	α-helix	trans	-68.3	-41.6	178.8	-171.8	65.7	-177.9	0	0	112.3	H149 L300 H301 V302 I306 S307 K308	H149-E304 IonicContact CE1-OE2 2.72Å; L300-E304 VanDerWaalsContact O-CB 3.31Å; L300-E304 WeakPolarHBondContact O-CB 3.46Å; L300-E304 PolarHBondContact O-N 3.15Å; H301-E304 PolarHBondContact O-N 2.95Å; V302-E304 VanDerWaalsContact C-N 3.25Å; V302-E304 PolarHBondContact O-N 3.21Å; E304-I306 VanDerWaalsContact C-N 3.34Å; E304-I306 PolarHBondContact O-N 3.32Å; E304-S307 PolarHBondContact O-N 2.92Å; E304-K308 HydrophobicContact CG-CD 4.13Å; E304-K308 WeakPolarHBondContact O-CB 3.34Å; E304-K308 PolarHBondContact O-N 3.19Å; E304-K308 WeakPolarHBondContact OE1-CE 3.29Å; E304-K308 IonicContact OE1-NZ 3.8Å; E304-K308 PolarHBondContact OE1-NZ 2.84Å
305	L	97	Very high	96.5	Very high	20 Å²	20	41.2 Å²	41.2	11%	0.105	20%	0.204	C	C	.	.	H	α-helix	trans	-61.2	-42.5	174	-76.8	174.6	0	0	0	112.2	H301 V302 N309 P441 L444	H301-L305 VanDerWaalsContact NE2-CD1 3.33Å; H301-L305 WeakPolarHBondContact NE2-CD1 3.19Å; H301-L305 WeakPolarHBondContact O-CG 3.39Å; H301-L305 PolarHBondContact O-N 3.14Å; V302-L305 PolarHBondContact O-N 3.45Å; L305-N309 WeakPolarHBondContact O-CB 3.49Å; L305-N309 PolarHBondContact O-N 3.35Å; L305-P441 HydrophobicContact CD1-CG 4.19Å; L305-P441 WeakPolarHBondContact CD1-O 3.14Å; L305-L444 HydrophobicContact CB-CD1 3.83Å; L305-L444 HydrophobicContact CB-CG 4.33Å; L305-L444 HydrophobicContact CD1-CD1 4.49Å; L305-L444 HydrophobicContact CD1-CG 4.36Å
306	I	97.4	Very high	96.3	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	20%	0.204	C	C	.	.	I	π-helix	trans	-61.3	-51.3	175.3	-67.2	167.2	0	0	0	109.6	V302 S303 E304 K308 V310 W311 I320 L322 L394 L396 L444	V302-I306 HydrophobicContact CG1-CD1 4.09Å; V302-I306 WeakPolarHBondContact O-CG1 3.34Å; V302-I306 PolarHBondContact O-N 3.36Å; S303-I306 PolarHBondContact O-N 3.42Å; E304-I306 VanDerWaalsContact C-N 3.34Å; E304-I306 PolarHBondContact O-N 3.32Å; I306-K308 VanDerWaalsContact C-N 3.33Å; I306-K308 PolarHBondContact O-N 2.77Å; I306-V310 HydrophobicContact CG2-CB 4.46Å; I306-V310 PolarHBondContact O-N 3.04Å; I306-W311 HydrophobicContact CG2-CB 4.19Å; I306-W311 PolarHBondContact O-N 3.3Å; I306-I320 HydrophobicContact CB-CD1 4.31Å; I306-I320 HydrophobicContact CD1-CG2 3.94Å; I306-I320 HydrophobicContact CG2-CD1 3.5Å; I306-I320 HydrophobicContact CG2-CG1 4.16Å; I306-L322 HydrophobicContact CD1-CD2 4.48Å; I306-L394 HydrophobicContact CB-CD2 4.45Å; I306-L394 HydrophobicContact CD1-CD2 4.11Å; I306-L394 HydrophobicContact CG1-CD2 4.15Å; I306-L394 HydrophobicContact CG2-CD2 3.46Å; I306-L394 VanDerWaalsContact CG2-CD2 3.46Å; I306-L396 HydrophobicContact CD1-CD1 4.38Å; I306-L444 HydrophobicContact CD1-CD1 4.4Å; I306-L444 HydrophobicContact CG1-CD1 3.61Å
307	S	96.9	Very high	96	Very high	22 Å²	22	44 Å²	44	15%	0.154	22%	0.219	C	C	.	.	I	π-helix	trans	-56.3	-43.7	-178.4	-177.3	0	0	0	0	113.1	S303 E304 S312 P313	S303-S307 WeakPolarHBondContact O-CB 3.29Å; S303-S307 PolarHBondContact O-N 3.02Å; E304-S307 PolarHBondContact O-N 2.92Å; S307-S312 WeakPolarHBondContact O-CA 3.45Å; S307-P313 VanDerWaalsContact OG-CD 3.27Å; S307-P313 WeakPolarHBondContact OG-CD 3.34Å
308	K	96	Very high	96	Very high	144 Å²	144	42.2 Å²	42.2	63%	0.626	21%	0.21	S	C	*	.	I	π-helix	trans	-82.1	-39.7	-176.8	-74.2	178.2	165.6	153.6	0	113.8	E304 I306	E304-K308 HydrophobicContact CG-CD 4.13Å; E304-K308 WeakPolarHBondContact O-CB 3.34Å; E304-K308 PolarHBondContact O-N 3.19Å; E304-K308 WeakPolarHBondContact OE1-CE 3.29Å; E304-K308 IonicContact OE1-NZ 3.8Å; E304-K308 PolarHBondContact OE1-NZ 2.84Å; I306-K308 VanDerWaalsContact C-N 3.33Å; I306-K308 PolarHBondContact O-N 2.77Å
309	N	95.7	Very high	96.1	Very high	112 Å²	112	42.2 Å²	42.2	60%	0.599	21%	0.21	S	C	*	.	I	π-helix	trans	-118.9	-19.9	-161.8	-56.5	-34	0	0	0	114.7	L305	L305-N309 WeakPolarHBondContact O-CB 3.49Å; L305-N309 PolarHBondContact O-N 3.35Å
310	V	95.8	Very high	96.1	Very high	29 Å²	29	42.1 Å²	42.1	18%	0.176	21%	0.21	C	C	.	.	I	π-helix	trans	-115.1	-55.5	-174.4	-178.2	0	0	0	0	112.2	I306 V336 L394 L444 L446	I306-V310 HydrophobicContact CG2-CB 4.46Å; I306-V310 PolarHBondContact O-N 3.04Å; V310-V336 HydrophobicContact CG1-CG2 3.76Å; V310-V336 HydrophobicContact CG2-CG2 4.29Å; V310-L394 HydrophobicContact CG1-CD1 4.43Å; V310-L394 HydrophobicContact CG1-CD2 4.24Å; V310-L444 HydrophobicContact CG2-CB 3.87Å; V310-L446 HydrophobicContact CG1-CB 4.07Å; V310-L446 HydrophobicContact CG1-CD1 4.05Å; V310-L446 HydrophobicContact CG1-CG 4.47Å
311	W	95.7	Very high	96	Very high	30 Å²	30	42 Å²	42	11%	0.114	21%	0.21	C	C	.	.			trans	-146.1	97.1	-172.1	-154	28.1	0	0	0	110	Y285 I306 T316 D317 G318 I319 I320 L338 K392 L394	Y285-W311 WeakPolarHBondContact CE2-O 3.1Å; Y285-W311 PolarHBondContact OH-O 2.7Å; I306-W311 HydrophobicContact CG2-CB 4.19Å; I306-W311 PolarHBondContact O-N 3.3Å; W311-T316 VanDerWaalsContact CD2-OG1 3.24Å; W311-T316 WeakPolarHBondContact CZ2-OG1 3.46Å; W311-T316 PolarHBondContact NE1-OG1 2.96Å; W311-D317 VanDerWaalsContact CZ2-OD1 3.28Å; W311-D317 WeakPolarHBondContact CZ2-OD1 3.46Å; W311-G318 VanDerWaalsContact CZ2-N 3.35Å; W311-I319 WeakPolarHBondContact CZ3-O 3.26Å; W311-I320 HydrophobicContact CE3-CG1 4.19Å; W311-I320 HydrophobicContact CZ3-CG1 4.47Å; W311-L338 HydrophobicContact CH2-CD1 3.66Å; W311-L338 HydrophobicContact CZ2-CD1 3.74Å; W311-L338 HydrophobicContact CZ3-CD1 4.19Å; W311-K392 HydrophobicContact CH2-CB 4.11Å; W311-K392 HydrophobicContact CZ2-CB 4.29Å; W311-L394 HydrophobicContact CB-CD2 4.39Å; W311-L394 HydrophobicContact CE3-CB 3.45Å; W311-L394 VanDerWaalsContact CE3-CB 3.45Å; W311-L394 HydrophobicContact CE3-CD2 4.11Å; W311-L394 HydrophobicContact CE3-CG 4.28Å; W311-L394 HydrophobicContact CH2-CB 4.36Å; W311-L394 HydrophobicContact CZ3-CB 3.36Å
312	S	97	Very high	96	Very high	45 Å²	45	39 Å²	39	32%	0.315	20%	0.196	S	C	.	.			trans	-67.8	134.4	-176	177.5	0	0	0	0	112	S307 L314 K315 T316	S307-S312 WeakPolarHBondContact O-CA 3.45Å; S312-L314 PolarHBondContact O-N 3.29Å; S312-L314 VanDerWaalsContact O-N 3.1Å; S312-L314 PolarHBondContact OG-N 3.01Å; S312-K315 PolarHBondContact O-N 2.95Å; S312-T316 WeakPolarHBondContact O-CB 3.48Å; S312-T316 WeakPolarHBondContact O-CG2 3.44Å; S312-T316 PolarHBondContact O-N 3.09Å
313	P	97.5	Very high	95.9	Very high	8 Å²	8	39.1 Å²	39.1	5%	0.052	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-22.5	178.6	24.5	-34	0	0	0	113.3	E283 Y285 S307 S353 V355	E283-P313 WeakPolarHBondContact O-CB 3.39Å; E283-P313 VanDerWaalsContact O-CG 3.27Å; E283-P313 WeakPolarHBondContact O-CG 3.29Å; Y285-P313 HydrophobicContact CD1-CB 4.37Å; Y285-P313 HydrophobicContact CD2-CB 3.94Å; Y285-P313 HydrophobicContact CD2-CG 4.3Å; Y285-P313 HydrophobicContact CE1-CB 4.19Å; Y285-P313 HydrophobicContact CE2-CB 3.75Å; Y285-P313 HydrophobicContact CE2-CG 4.11Å; Y285-P313 HydrophobicContact CG-CB 4.24Å; S307-P313 VanDerWaalsContact OG-CD 3.27Å; S307-P313 WeakPolarHBondContact OG-CD 3.34Å; P313-S353 WeakPolarHBondContact O-CB 3.38Å; P313-S353 PolarHBondContact O-OG 2.89Å; P313-V355 WeakPolarHBondContact O-CG2 3.35Å
314	L	96.3	Very high	95.4	Very high	93 Å²	93	39.9 Å²	39.9	49%	0.487	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-11.9	178.8	-62.2	-180	0	0	0	114	E283 S312	E283-L314 HydrophobicContact CB-CD2 4.11Å; E283-L314 HydrophobicContact CG-CD2 4.4Å; S312-L314 PolarHBondContact O-N 3.29Å; S312-L314 VanDerWaalsContact O-N 3.1Å; S312-L314 PolarHBondContact OG-N 3.01Å
315	K	93.8	Very high	94.9	Very high	185 Å²	185	42.2 Å²	42.2	80%	0.804	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-133.7	-2.9	-174.1	-61.6	-178.1	-178.5	177	0	114.1	S312	S312-K315 PolarHBondContact O-N 2.95Å
316	T	92.1	Very high	94.3	Very high	4 Å²	4	44.7 Å²	44.7	3%	0.025	22%	0.223	C	C	.	.			trans	-68.4	147.6	-179.6	174.8	0	0	0	0	112.3	Y285 W311 S312 G318 S353 V356	Y285-T316 HydrophobicContact CE1-CG2 4.01Å; Y285-T316 WeakPolarHBondContact OH-CG2 3.36Å; W311-T316 VanDerWaalsContact CD2-OG1 3.24Å; W311-T316 WeakPolarHBondContact CZ2-OG1 3.46Å; W311-T316 PolarHBondContact NE1-OG1 2.96Å; S312-T316 WeakPolarHBondContact O-CB 3.48Å; S312-T316 WeakPolarHBondContact O-CG2 3.44Å; S312-T316 PolarHBondContact O-N 3.09Å; T316-G318 PolarHBondContact OG1-N 3.16Å; T316-G318 PolarHBondContact OG1-O 3.09Å; T316-S353 VanDerWaalsContact CG2-OG 3.28Å; T316-S353 WeakPolarHBondContact CG2-OG 3.34Å; T316-V356 HydrophobicContact CG2-CG2 3.77Å
317	D	90.6	Very high	93.3	Very high	60 Å²	60	52.9 Å²	52.9	32%	0.321	26%	0.258	S	S	.	.	S	Bend	trans	-110.6	18.1	171.7	62	-17.6	0	0	0	112.4	W311 K392	W311-D317 VanDerWaalsContact CZ2-OD1 3.28Å; W311-D317 WeakPolarHBondContact CZ2-OD1 3.46Å; D317-K392 IonicContact OD1-NZ 3.43Å; D317-K392 VanDerWaalsContact OD2-CE 3.27Å; D317-K392 WeakPolarHBondContact OD2-CE 3.39Å; D317-K392 IonicContact OD2-NZ 2.77Å; D317-K392 PolarHBondContact OD2-NZ 3.47Å
318	G	95	Very high	92.7	Very high	0 Å²	0	58 Å²	58	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.8	-165.5	175.8	0	0	0	0	0	115.3	W311 T316 V356 K392	W311-G318 VanDerWaalsContact CZ2-N 3.35Å; T316-G318 PolarHBondContact OG1-N 3.16Å; T316-G318 PolarHBondContact OG1-O 3.09Å; G318-V356 VanDerWaalsContact O-CG2 3.29Å; G318-V356 WeakPolarHBondContact O-CG2 3.3Å; G318-K392 VanDerWaalsContact CA-O 3.3Å; G318-K392 WeakPolarHBondContact CA-O 3.49Å
319	I	96.7	Very high	92.3	Very high	1 Å²	1	51.8 Å²	51.8	1%	0.005	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	153	-167.5	50.1	-178.3	0	0	0	111.7	W311 W341 M350 A351 V352 V356 L379 L391 K392 A393 L394	W311-I319 WeakPolarHBondContact CZ3-O 3.26Å; I319-W341 HydrophobicContact CD1-CB 4.49Å; I319-W341 HydrophobicContact CD1-CD2 3.52Å; I319-W341 HydrophobicContact CD1-CE3 3.08Å; I319-W341 HydrophobicContact CD1-CG 4.14Å; I319-W341 HydrophobicContact CD1-CH2 3.87Å; I319-W341 HydrophobicContact CD1-CZ2 4.35Å; I319-W341 HydrophobicContact CD1-CZ3 3.24Å; I319-W341 HydrophobicContact CG1-CE3 3.86Å; I319-W341 HydrophobicContact CG1-CZ3 4.14Å; I319-M350 HydrophobicContact CB-CG 4.14Å; I319-M350 HydrophobicContact CB-SD 4.34Å; I319-M350 HydrophobicContact CD1-CG 4.09Å; I319-M350 HydrophobicContact CD1-SD 3.35Å; I319-M350 WeakPolarHBondContact CD1-SD 3.42Å; I319-M350 HydrophobicContact CG1-SD 4.39Å; I319-M350 HydrophobicContact CG2-CG 4.41Å; I319-M350 HydrophobicContact CG2-SD 4.3Å; I319-A351 WeakPolarHBondContact CA-O 3.38Å; I319-V352 HydrophobicContact CG2-CB 4.01Å; I319-V352 HydrophobicContact CG2-CG2 4.12Å; I319-V356 HydrophobicContact CG2-CG1 3.87Å; I319-L379 HydrophobicContact CD1-CD2 4.42Å; I319-L391 HydrophobicContact CD1-CD2 3.91Å; I319-L391 HydrophobicContact CD1-CG 4.38Å; I319-L391 HydrophobicContact CG1-CD1 4.43Å; I319-L391 HydrophobicContact CG1-CG 4.49Å; I319-K392 WeakPolarHBondContact CG1-O 3.4Å; I319-K392 PolarHBondContact N-O 2.9Å; I319-A393 HydrophobicContact CG1-CB 4.48Å; I319-A393 CarbonylContact O-C 3.52Å; I319-A393 WeakPolarHBondContact O-CA 3.48Å; I319-L394 PolarHBondContact O-N 2.82Å
320	I	97.7	Very high	91.9	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	130.8	175.9	-55.8	164.7	0	0	0	108.2	Y285 I306 W311 L322 M350 A351 L394	Y285-I320 HydrophobicContact CD1-CD1 3.9Å; Y285-I320 HydrophobicContact CD2-CD1 3.67Å; Y285-I320 HydrophobicContact CE1-CD1 3.75Å; Y285-I320 HydrophobicContact CE1-CG1 4.18Å; Y285-I320 HydrophobicContact CE2-CD1 3.5Å; Y285-I320 VanDerWaalsContact CE2-CD1 3.5Å; Y285-I320 HydrophobicContact CG-CD1 3.87Å; I306-I320 HydrophobicContact CB-CD1 4.31Å; I306-I320 HydrophobicContact CD1-CG2 3.94Å; I306-I320 HydrophobicContact CG2-CD1 3.5Å; I306-I320 HydrophobicContact CG2-CG1 4.16Å; W311-I320 HydrophobicContact CE3-CG1 4.19Å; W311-I320 HydrophobicContact CZ3-CG1 4.47Å; I320-L322 HydrophobicContact CG2-CD2 3.82Å; I320-L322 HydrophobicContact CG2-CG 4.01Å; I320-M350 CarbonylContact O-C 3.07Å; I320-M350 VanDerWaalsContact O-CA 3.28Å; I320-M350 WeakPolarHBondContact O-CA 3.48Å; I320-A351 HydrophobicContact CB-CB 3.91Å; I320-A351 HydrophobicContact CD1-CB 4.31Å; I320-A351 PolarHBondContact N-O 3.26Å; I320-A351 PolarHBondContact O-N 2.69Å; I320-L394 CarbonylContact C-O 3.42Å; I320-L394 WeakPolarHBondContact CA-O 3.43Å; I320-L394 HydrophobicContact CG1-CB 4.45Å; I320-L394 HydrophobicContact CG1-CD2 4.46Å
321	A	97.1	Very high	91.7	Very high	2 Å²	2	47.6 Å²	47.6	2%	0.017	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	98.4	168.4	0	0	0	0	0	108.6	H346 L394 T395 L396	A321-H346 HydrophobicContact CB-CB 3.8Å; A321-L394 PolarHBondContact N-O 2.8Å; A321-T395 HydrophobicContact CB-CG2 4.28Å; A321-L396 WeakPolarHBondContact O-CD1 3.41Å
322	L	97.1	Very high	91.3	Very high	1 Å²	1	51.7 Å²	51.7	1%	0.005	26%	0.257	C	S	.	.			trans	-75.4	-18.6	178.3	-64.4	167.6	0	0	0	112	I287 I299 I306 I320 G349 A351 L396 R401 V402	I287-L322 HydrophobicContact CD1-CD1 3.99Å; I287-L322 HydrophobicContact CG1-CD1 4.07Å; I287-L322 HydrophobicContact CG2-CD1 3.97Å; I299-L322 HydrophobicContact CD1-CD1 4.05Å; I299-L322 HydrophobicContact CG1-CD1 3.96Å; I306-L322 HydrophobicContact CD1-CD2 4.48Å; I320-L322 HydrophobicContact CG2-CD2 3.82Å; I320-L322 HydrophobicContact CG2-CG 4.01Å; L322-G349 VanDerWaalsContact CB-O 3.31Å; L322-G349 WeakPolarHBondContact CB-O 3.27Å; L322-G349 WeakPolarHBondContact CG-O 3.27Å; L322-G349 PolarHBondContact N-O 3.42Å; L322-G349 VanDerWaalsContact N-O 3.07Å; L322-A351 HydrophobicContact CD1-CB 4.4Å; L322-L396 HydrophobicContact CD2-CD1 3.99Å; L322-R401 HydrophobicContact CB-CB 4.44Å; L322-R401 WeakPolarHBondContact O-CA 3.35Å; L322-R401 PolarHBondContact O-N 3.13Å; L322-V402 HydrophobicContact CB-CG2 4.03Å; L322-V402 PolarHBondContact O-N 2.58Å
323	G	93.7	Very high	90.8	Very high	3 Å²	3	51.9 Å²	51.9	3%	0.031	26%	0.259	C	S	.	.	B	Isolated β-bridge	trans	-108.3	152.9	174.5	0	0	0	0	0	113.2	M348 T400 V402	G323-M348 WeakPolarHBondContact CA-O 3.28Å; G323-M348 PolarHBondContact N-O 3.45Å; G323-T400 VanDerWaalsContact CA-OG1 3.29Å; G323-T400 WeakPolarHBondContact CA-OG1 3.36Å; G323-V402 WeakPolarHBondContact CA-O 3.32Å
324	S	88.5	Confident	90.5	Very high	19 Å²	19	54.5 Å²	54.5	13%	0.133	27%	0.272	C	S	.	.			trans	-141.6	157.5	163.3	79.8	0	0	0	0	111.1	D326 M348 T400	S324-D326 WeakPolarHBondContact CB-OD2 3.46Å; S324-D326 PolarHBondContact O-N 2.84Å; S324-D326 WeakPolarHBondContact OG-CB 3.23Å; S324-D326 PolarHBondContact OG-N 3.4Å; S324-D326 PolarHBondContact OG-OD2 3.36Å; S324-M348 WeakPolarHBondContact O-CE 3.39Å; S324-T400 PolarHBondContact N-OG1 2.79Å; S324-T400 VanDerWaalsContact N-OG1 3.07Å
325	Y	86.2	Confident	90.4	Very high	108 Å²	108	52.6 Å²	52.6	42%	0.424	26%	0.264	S	S	.	.			trans	-81.1	10.6	175.8	-64.7	-83.5	0	0	0	112.7	K327 P344 N347 M348	Y325-K327 PolarHBondContact O-N 3.1Å; Y325-P344 VanDerWaalsContact CD2-O 3.31Å; Y325-P344 WeakPolarHBondContact CD2-O 3.28Å; Y325-P344 WeakPolarHBondContact CE2-O 3.41Å; Y325-N347 VanDerWaalsContact CE2-OD1 3.23Å; Y325-N347 WeakPolarHBondContact CE2-OD1 3.31Å; Y325-N347 PolarHBondContact OH-ND2 2.86Å; Y325-N347 PolarHBondContact OH-OD1 3.33Å; Y325-M348 HydrophobicContact CD1-CE 3.56Å; Y325-M348 HydrophobicContact CD1-SD 3.94Å; Y325-M348 HydrophobicContact CD2-CE 3.55Å; Y325-M348 HydrophobicContact CE1-CE 3.67Å; Y325-M348 HydrophobicContact CE1-CG 4.3Å; Y325-M348 HydrophobicContact CE1-SD 3.5Å; Y325-M348 WeakPolarHBondContact CE1-SD 3.3Å; Y325-M348 HydrophobicContact CE2-CE 3.65Å; Y325-M348 HydrophobicContact CE2-CG 4.12Å; Y325-M348 HydrophobicContact CE2-SD 4.12Å; Y325-M348 HydrophobicContact CG-CE 3.49Å; Y325-M348 VanDerWaalsContact CG-CE 3.49Å; Y325-M348 HydrophobicContact CG-SD 4.43Å; Y325-M348 VanDerWaalsContact CZ-SD 3.59Å; Y325-M348 VanDerWaalsContact N-CE 3.27Å
326	D	82.8	Confident	90.5	Very high	73 Å²	73	43.8 Å²	43.8	39%	0.39	23%	0.226	S	C	.	.			trans	-65.9	130.3	178.4	-59.6	-41.9	0	0	0	109.6	S324 N329 L398	S324-D326 WeakPolarHBondContact CB-OD2 3.46Å; S324-D326 PolarHBondContact O-N 2.84Å; S324-D326 WeakPolarHBondContact OG-CB 3.23Å; S324-D326 PolarHBondContact OG-N 3.4Å; S324-D326 PolarHBondContact OG-OD2 3.36Å; D326-N329 PolarHBondContact O-ND2 3.21Å; D326-L398 HydrophobicContact CB-CD2 4.17Å
327	K	77.8	Confident	90.6	Very high	171 Å²	171	45.1 Å²	45.1	74%	0.743	23%	0.232	S	C	*	.	S	Bend	trans	-86.1	-23.3	-179.7	-64.2	-176.4	179.2	178.9	0	112.9	Y325 N329	Y325-K327 PolarHBondContact O-N 3.1Å; K327-N329 PolarHBondContact O-N 3.38Å
328	D	84.1	Confident	90.8	Very high	130 Å²	130	42.8 Å²	42.8	70%	0.695	22%	0.22	S	C	*	.			trans	-101.1	47.3	-170.6	-58.6	-39.5	0	0	0	112.4	N330	D328-N330 PolarHBondContact O-N 3.43Å
329	N	86.6	Confident	90.7	Very high	13 Å²	13	43.7 Å²	43.7	7%	0.07	23%	0.225	C	C	.	.			trans	-64.3	127.2	177.5	-68.9	-77.7	0	0	0	110.8	D326 K327 Y331 L398 S399 T400	D326-N329 PolarHBondContact O-ND2 3.21Å; K327-N329 PolarHBondContact O-N 3.38Å; N329-Y331 HydrophobicContact CB-CD2 4.41Å; N329-Y331 HydrophobicContact CB-CE2 3.7Å; N329-L398 CarbonylContact C-O 3.5Å; N329-L398 VanDerWaalsContact CA-O 3.3Å; N329-L398 WeakPolarHBondContact CA-O 3.42Å; N329-L398 WeakPolarHBondContact OD1-CA 3.31Å; N329-L398 PolarHBondContact OD1-O 3.37Å; N329-S399 PolarHBondContact OD1-N 2.88Å; N329-T400 HydrophobicContact CB-CG2 4.48Å; N329-T400 VanDerWaalsContact CG-CG2 3.45Å; N329-T400 VanDerWaalsContact ND2-CG2 3.32Å; N329-T400 WeakPolarHBondContact ND2-CG2 3.2Å; N329-T400 WeakPolarHBondContact OD1-CB 3.46Å; N329-T400 WeakPolarHBondContact OD1-CG2 2.85Å; N329-T400 PolarHBondContact OD1-N 2.8Å
330	N	88.2	Confident	90.6	Very high	50 Å²	50	45.7 Å²	45.7	27%	0.267	23%	0.233	S	C	.	.			trans	-130.3	-10.9	-176.3	66.1	42.2	0	0	0	113.8	D328 L332 L398 L435 R438	D328-N330 PolarHBondContact O-N 3.43Å; N330-L332 HydrophobicContact CB-CD1 4.21Å; N330-L332 HydrophobicContact CB-CG 4.28Å; N330-L332 PolarHBondContact O-N 3.35Å; N330-L332 WeakPolarHBondContact OD1-CB 3.17Å; N330-L332 PolarHBondContact OD1-N 3.32Å; N330-L398 PolarHBondContact N-O 2.92Å; N330-L435 WeakPolarHBondContact O-CD2 3.34Å; N330-R438 PolarHBondContact O-NH1 3.47Å
331	Y	90.7	Very high	90.3	Very high	4 Å²	4	45.9 Å²	45.9	2%	0.016	23%	0.233	C	C	.	.			trans	53.7	21.9	175.7	-55.8	-93.7	0	0	0	114.3	N329 S333 L398 T400 F403 M430 F431 L435 R438 L439	N329-Y331 HydrophobicContact CB-CD2 4.41Å; N329-Y331 HydrophobicContact CB-CE2 3.7Å; Y331-S333 VanDerWaalsContact C-N 3.32Å; Y331-L398 PolarHBondContact N-O 3.33Å; Y331-L398 VanDerWaalsContact N-O 3.15Å; Y331-T400 WeakPolarHBondContact CE1-O 3.25Å; Y331-T400 PolarHBondContact OH-O 3.1Å; Y331-F403 WeakPolarHBondContact OH-CZ 3.11Å; Y331-M430 HydrophobicContact CE2-SD 4.18Å; Y331-F431 HydrophobicContact CD2-CE1 4.31Å; Y331-F431 HydrophobicContact CE1-CE1 4.19Å; Y331-F431 HydrophobicContact CE1-CZ 4.2Å; Y331-F431 AromaticContact CE2-CE1 3.78Å; Y331-F431 HydrophobicContact CE2-CE1 3.78Å; Y331-F431 AromaticContact CE2-CZ 3.85Å; Y331-F431 HydrophobicContact CE2-CZ 3.85Å; Y331-F431 AromaticContact CZ-CE1 3.75Å; Y331-F431 AromaticContact CZ-CZ 3.54Å; Y331-F431 WeakPolarHBondContact OH-CZ 3.06Å; Y331-L435 HydrophobicContact CD2-CD1 4.35Å; Y331-L435 HydrophobicContact CD2-CD2 4.27Å; Y331-R438 VanDerWaalsContact O-CD 3.28Å; Y331-R438 WeakPolarHBondContact O-CD 3.05Å; Y331-L439 HydrophobicContact CD1-CD2 4.24Å; Y331-L439 HydrophobicContact CE1-CD2 4.36Å
332	L	87.4	Confident	90.1	Very high	116 Å²	116	47.1 Å²	47.1	61%	0.607	24%	0.24	S	C	*	.			trans	-77	-22.9	-179.8	-73.6	169.1	0	0	0	112.7	N330 R438	N330-L332 HydrophobicContact CB-CD1 4.21Å; N330-L332 HydrophobicContact CB-CG 4.28Å; N330-L332 PolarHBondContact O-N 3.35Å; N330-L332 WeakPolarHBondContact OD1-CB 3.17Å; N330-L332 PolarHBondContact OD1-N 3.32Å; L332-R438 VanDerWaalsContact CD2-NH2 3.31Å; L332-R438 VanDerWaalsContact CG-NH1 3.34Å
333	S	87.2	Confident	89.9	Confident	49 Å²	49	47 Å²	47	34%	0.343	24%	0.239	S	C	.	.			trans	-107.8	129.7	-172.5	-176.1	0	0	0	0	110.6	Y331 V335	Y331-S333 VanDerWaalsContact C-N 3.32Å; S333-V335 VanDerWaalsContact OG-CB 3.25Å; S333-V335 WeakPolarHBondContact OG-CB 3.5Å; S333-V335 WeakPolarHBondContact OG-CG2 3.5Å; S333-V335 PolarHBondContact OG-N 3.39Å; S333-V335 VanDerWaalsContact OG-N 3.11Å
334	N	91.7	Very high	89.7	Confident	62 Å²	62	50.1 Å²	50.1	33%	0.332	26%	0.259	S	S	.	.			trans	-92.2	19.2	166.9	-68.3	-21.1	0	0	0	111.6	P441 L444 H445	N334-P441 WeakPolarHBondContact OD1-CB 3.49Å; N334-L444 HydrophobicContact CB-CD2 4.41Å; N334-L444 CarbonylContact O-C 3.54Å; N334-L444 VanDerWaalsContact O-CA 3.31Å; N334-L444 WeakPolarHBondContact O-CA 3.23Å; N334-H445 PolarHBondContact O-N 3.43Å
335	V	93.5	Very high	89.7	Confident	54 Å²	54	55 Å²	55	33%	0.327	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	131.8	177.6	178.9	0	0	0	0	109.7	S333 H445 S447	S333-V335 VanDerWaalsContact OG-CB 3.25Å; S333-V335 WeakPolarHBondContact OG-CB 3.5Å; S333-V335 WeakPolarHBondContact OG-CG2 3.5Å; S333-V335 PolarHBondContact OG-N 3.39Å; S333-V335 VanDerWaalsContact OG-N 3.11Å; V335-H445 CarbonylContact C-O 3.46Å; V335-H445 VanDerWaalsContact CA-O 3.28Å; V335-H445 WeakPolarHBondContact CA-O 3.36Å; V335-S447 VanDerWaalsContact CG1-CB 3.43Å
336	V	95.3	Very high	90	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	139.9	165.6	-64.4	0	0	0	0	108.8	V310 L394 T395 L396 L444 H445 L446 S447	V310-V336 HydrophobicContact CG1-CG2 3.76Å; V310-V336 HydrophobicContact CG2-CG2 4.29Å; V336-L394 HydrophobicContact CB-CD1 4.06Å; V336-L394 HydrophobicContact CB-CD2 4.3Å; V336-L394 HydrophobicContact CB-CG 4.13Å; V336-L394 HydrophobicContact CG2-CD1 3.92Å; V336-L394 HydrophobicContact CG2-CD2 4.22Å; V336-L394 HydrophobicContact CG2-CG 4.33Å; V336-T395 CarbonylContact C-O 3.48Å; V336-T395 VanDerWaalsContact CA-O 3.32Å; V336-T395 WeakPolarHBondContact CA-O 3.36Å; V336-L396 HydrophobicContact CG1-CD2 4.1Å; V336-L396 HydrophobicContact CG1-CG 4.05Å; V336-L444 HydrophobicContact CG1-CB 4.36Å; V336-L444 HydrophobicContact CG1-CD1 4.11Å; V336-L444 HydrophobicContact CG1-CD2 4.3Å; V336-L444 HydrophobicContact CG1-CG 4.5Å; V336-H445 PolarHBondContact N-O 3.35Å; V336-L446 HydrophobicContact CG2-CD1 4.29Å; V336-S447 PolarHBondContact O-N 3.23Å
337	E	95	Very high	90.5	Very high	32 Å²	32	48.2 Å²	48.2	15%	0.15	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	124.4	-171.3	-179	175.2	140.2	0	0	111.2	L394 T395 P397 S447 K449	E337-L394 CarbonylContact O-C 3.13Å; E337-L394 WeakPolarHBondContact O-CA 3.27Å; E337-T395 PolarHBondContact N-O 2.79Å; E337-T395 PolarHBondContact O-N 3.03Å; E337-T395 PolarHBondContact O-OG1 3.19Å; E337-T395 VanDerWaalsContact O-OG1 3.04Å; E337-P397 HydrophobicContact CB-CG 3.85Å; E337-S447 VanDerWaalsContact CA-O 3.32Å; E337-S447 WeakPolarHBondContact CA-O 3.35Å; E337-K449 HydrophobicContact CG-CB 3.9Å; E337-K449 HydrophobicContact CG-CD 4.33Å; E337-K449 HydrophobicContact CG-CG 4.08Å; E337-K449 WeakPolarHBondContact OE1-CB 3.41Å; E337-K449 WeakPolarHBondContact OE2-CD 3.23Å; E337-K449 WeakPolarHBondContact OE2-CE 3.49Å; E337-K449 IonicContact OE2-NZ 2.78Å; E337-K449 PolarHBondContact OE2-NZ 3.38Å
338	L	95.1	Very high	91.2	Very high	11 Å²	11	40.2 Å²	40.2	6%	0.058	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	121.6	173.4	-171.5	67.9	0	0	0	110.1	W311 K392 L394 L446 S447 E448 K449 I450	W311-L338 HydrophobicContact CH2-CD1 3.66Å; W311-L338 HydrophobicContact CZ2-CD1 3.74Å; W311-L338 HydrophobicContact CZ3-CD1 4.19Å; L338-K392 HydrophobicContact CD1-CB 3.98Å; L338-K392 HydrophobicContact CD1-CD 4.19Å; L338-K392 HydrophobicContact CD2-CD 4.06Å; L338-K392 HydrophobicContact CG-CD 4.22Å; L338-L394 HydrophobicContact CB-CD1 4.29Å; L338-L394 HydrophobicContact CD1-CB 4.46Å; L338-L394 HydrophobicContact CD1-CD1 4.4Å; L338-L446 HydrophobicContact CB-CD1 4.03Å; L338-S447 PolarHBondContact N-O 2.04Å; L338-E448 HydrophobicContact CD2-CG 4.43Å; L338-K449 CarbonylContact O-C 3.39Å; L338-K449 PolarHBondContact O-N 3.42Å; L338-I450 HydrophobicContact CD2-CD1 4.12Å; L338-I450 HydrophobicContact CG-CD1 4.35Å
339	T	93.2	Very high	91.8	Very high	19 Å²	19	34 Å²	34	12%	0.117	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	-173.4	-178.6	-169.7	0	0	0	0	110.5	K392 A393 T395	T339-K392 CarbonylContact O-C 3.47Å; T339-K392 VanDerWaalsContact O-CA 3.26Å; T339-K392 WeakPolarHBondContact O-CA 3.39Å; T339-K392 WeakPolarHBondContact O-CB 3.24Å; T339-A393 HydrophobicContact CG2-CB 4.39Å; T339-A393 PolarHBondContact N-O 3.38Å; T339-A393 PolarHBondContact O-N 3.23Å; T339-T395 HydrophobicContact CG2-CG2 3.9Å
340	Y	92.7	Very high	92.3	Very high	42 Å²	42	33.6 Å²	33.6	17%	0.165	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	148.6	170.2	-69.8	-56.7	0	0	0	111.8	L342 H346 K390 K392 I450 H451	Y340-L342 PolarHBondContact O-N 2.88Å; Y340-H346 PolarHBondContact O-CE1 3.45Å; Y340-H346 VanDerWaalsContact O-CE1 3.27Å; Y340-H346 PolarHBondContact O-ND1 3.44Å; Y340-K390 HydrophobicContact CD1-CB 3.81Å; Y340-K390 HydrophobicContact CD1-CD 4.39Å; Y340-K390 HydrophobicContact CE1-CB 3.61Å; Y340-K390 HydrophobicContact CE1-CD 4.01Å; Y340-K390 HydrophobicContact CE1-CG 4.37Å; Y340-K390 HydrophobicContact CE2-CD 4.44Å; Y340-K392 HydrophobicContact CD1-CG 4.44Å; Y340-I450 HydrophobicContact CD2-CG2 4.08Å; Y340-I450 HydrophobicContact CE1-CG2 4Å; Y340-I450 HydrophobicContact CE2-CG2 3.37Å; Y340-I450 WeakPolarHBondContact OH-CG2 3.34Å; Y340-H451 WeakPolarHBondContact CD2-O 3.2Å; Y340-H451 VanDerWaalsContact CE2-O 3.26Å; Y340-H451 WeakPolarHBondContact CE2-O 3.49Å
341	W	93	Very high	92.7	Very high	4 Å²	4	31.2 Å²	31.2	2%	0.015	17%	0.165	C	C	.	.			trans	-60.1	133	173.2	172.1	-104.3	0	0	0	111.7	I319 H346 N347 M350 W375 D376 L379 L391 A393	I319-W341 HydrophobicContact CD1-CB 4.49Å; I319-W341 HydrophobicContact CD1-CD2 3.52Å; I319-W341 HydrophobicContact CD1-CE3 3.08Å; I319-W341 HydrophobicContact CD1-CG 4.14Å; I319-W341 HydrophobicContact CD1-CH2 3.87Å; I319-W341 HydrophobicContact CD1-CZ2 4.35Å; I319-W341 HydrophobicContact CD1-CZ3 3.24Å; I319-W341 HydrophobicContact CG1-CE3 3.86Å; I319-W341 HydrophobicContact CG1-CZ3 4.14Å; W341-H346 HydrophobicContact CD2-CB 4.21Å; W341-H346 HydrophobicContact CE3-CB 3.27Å; W341-H346 VanDerWaalsContact CH2-C 3.4Å; W341-H346 HydrophobicContact CH2-CB 4.08Å; W341-H346 WeakPolarHBondContact CH2-O 3.3Å; W341-H346 HydrophobicContact CZ3-CB 3.22Å; W341-H346 WeakPolarHBondContact CZ3-O 3.46Å; W341-N347 HydrophobicContact CH2-CB 4.25Å; W341-N347 HydrophobicContact CZ2-CB 4.38Å; W341-M350 HydrophobicContact CH2-CG 4.45Å; W341-M350 HydrophobicContact CH2-SD 3.58Å; W341-M350 VanDerWaalsContact CH2-SD 3.58Å; W341-M350 HydrophobicContact CZ2-SD 4.26Å; W341-M350 HydrophobicContact CZ3-SD 3.95Å; W341-W375 HydrophobicContact CZ2-CZ3 4.39Å; W341-D376 HydrophobicContact CZ2-CB 4.49Å; W341-L379 HydrophobicContact CZ2-CD2 3.97Å; W341-L391 HydrophobicContact CB-CB 4.24Å; W341-L391 HydrophobicContact CB-CD2 3.88Å; W341-L391 HydrophobicContact CB-CG 3.86Å; W341-L391 HydrophobicContact CG-CD2 3.94Å; W341-L391 HydrophobicContact CG-CG 4.45Å; W341-L391 PolarHBondContact N-O 2.96Å; W341-A393 HydrophobicContact CB-CB 4.47Å; W341-A393 HydrophobicContact CE3-CB 4.19Å
342	L	92.2	Very high	93.1	Very high	28 Å²	28	31.1 Å²	31.1	15%	0.147	17%	0.165	C	C	.	.			trans	-136	110.7	178.6	-73.8	176.2	0	0	0	108	Y340 P344 K345 H346 I455	Y340-L342 PolarHBondContact O-N 2.88Å; L342-P344 VanDerWaalsContact C-CD 3.47Å; L342-K345 HydrophobicContact CB-CB 4.15Å; L342-K345 HydrophobicContact CB-CG 4.39Å; L342-K345 HydrophobicContact CD1-CD 3.92Å; L342-K345 PolarHBondContact O-N 3.02Å; L342-H346 PolarHBondContact N-ND1 2.82Å; L342-H346 WeakPolarHBondContact O-CB 3.23Å; L342-H346 PolarHBondContact O-N 3.34Å; L342-I455 HydrophobicContact CD2-CB 4.41Å; L342-I455 HydrophobicContact CD2-CD1 3.38Å; L342-I455 HydrophobicContact CD2-CG1 3.83Å; L342-I455 HydrophobicContact CD2-CG2 3.9Å; L342-I455 HydrophobicContact CG-CD1 4.28Å
343	A	92.5	Very high	93.6	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-45.8	-52.1	177.7	0	0	0	0	0	113	K345 N347 D376 W377 Q380	A343-K345 PolarHBondContact O-N 3.03Å; A343-N347 WeakPolarHBondContact O-CB 3.28Å; A343-N347 VanDerWaalsContact O-CG 3.28Å; A343-N347 PolarHBondContact O-ND2 3.28Å; A343-D376 HydrophobicContact CB-CB 3.95Å; A343-D376 WeakPolarHBondContact CB-O 3.17Å; A343-W377 HydrophobicContact CB-CD2 4.03Å; A343-W377 HydrophobicContact CB-CE3 4.36Å; A343-W377 HydrophobicContact CB-CG 4.2Å; A343-Q380 HydrophobicContact CB-CB 4.27Å
344	P	89.2	Confident	94.1	Very high	68 Å²	68	25.7 Å²	25.7	44%	0.442	13%	0.129	S	C	.	.	H	α-helix	trans	-71.4	-3.8	-176.3	29.7	-37.9	0	0	0	114.8	Y325 L342 W377	Y325-P344 VanDerWaalsContact CD2-O 3.31Å; Y325-P344 WeakPolarHBondContact CD2-O 3.28Å; Y325-P344 WeakPolarHBondContact CE2-O 3.41Å; L342-P344 VanDerWaalsContact C-CD 3.47Å; P344-W377 HydrophobicContact CB-CZ2 4.46Å; P344-W377 HydrophobicContact CG-CH2 4.3Å; P344-W377 HydrophobicContact CG-CZ2 4.4Å
345	K	89.4	Confident	94.3	Very high	121 Å²	121	25.1 Å²	25.1	53%	0.526	13%	0.128	S	C	.	.	H	α-helix	trans	-119.6	-35.2	-176.1	-65.7	-167.6	179.3	-175.7	0	113.8	L342 A343	L342-K345 HydrophobicContact CB-CB 4.15Å; L342-K345 HydrophobicContact CB-CG 4.39Å; L342-K345 HydrophobicContact CD1-CD 3.92Å; L342-K345 PolarHBondContact O-N 3.02Å; A343-K345 PolarHBondContact O-N 3.03Å
346	H	92.9	Very high	94.4	Very high	14 Å²	14	22.6 Å²	22.6	7%	0.065	11%	0.112	C	C	.	.	H	α-helix	trans	-116.1	1.5	-161.5	-57	154.4	0	0	0	112.9	A321 Y340 W341 L342 M348	A321-H346 HydrophobicContact CB-CB 3.8Å; Y340-H346 PolarHBondContact O-CE1 3.45Å; Y340-H346 VanDerWaalsContact O-CE1 3.27Å; Y340-H346 PolarHBondContact O-ND1 3.44Å; W341-H346 HydrophobicContact CD2-CB 4.21Å; W341-H346 HydrophobicContact CE3-CB 3.27Å; W341-H346 VanDerWaalsContact CH2-C 3.4Å; W341-H346 HydrophobicContact CH2-CB 4.08Å; W341-H346 WeakPolarHBondContact CH2-O 3.3Å; W341-H346 HydrophobicContact CZ3-CB 3.22Å; W341-H346 WeakPolarHBondContact CZ3-O 3.46Å; L342-H346 PolarHBondContact N-ND1 2.82Å; L342-H346 WeakPolarHBondContact O-CB 3.23Å; L342-H346 PolarHBondContact O-N 3.34Å; H346-M348 VanDerWaalsContact C-N 3.26Å; H346-M348 PolarHBondContact O-N 3.37Å
347	N	92.2	Very high	94.5	Very high	24 Å²	24	22.7 Å²	22.7	13%	0.128	11%	0.113	C	C	.	.			trans	-70.2	-13.5	-177.1	67.4	-2	0	0	0	115.3	Y325 W341 A343 W375 D376	Y325-N347 VanDerWaalsContact CE2-OD1 3.23Å; Y325-N347 WeakPolarHBondContact CE2-OD1 3.31Å; Y325-N347 PolarHBondContact OH-ND2 2.86Å; Y325-N347 PolarHBondContact OH-OD1 3.33Å; W341-N347 HydrophobicContact CH2-CB 4.25Å; W341-N347 HydrophobicContact CZ2-CB 4.38Å; A343-N347 WeakPolarHBondContact O-CB 3.28Å; A343-N347 VanDerWaalsContact O-CG 3.28Å; A343-N347 PolarHBondContact O-ND2 3.28Å; N347-W375 HydrophobicContact CB-CH2 3.87Å; N347-W375 HydrophobicContact CB-CZ2 4.3Å; N347-D376 HydrophobicContact CB-CB 4.05Å; N347-D376 PolarHBondContact ND2-OD2 3.34Å
348	M	93.5	Very high	94.6	Very high	3 Å²	3	27.4 Å²	27.4	2%	0.015	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89	129	179.5	-65.4	-172.3	-62.7	0	0	112.4	G323 S324 Y325 H346 M350 H404	G323-M348 WeakPolarHBondContact CA-O 3.28Å; G323-M348 PolarHBondContact N-O 3.45Å; S324-M348 WeakPolarHBondContact O-CE 3.39Å; Y325-M348 HydrophobicContact CD1-CE 3.56Å; Y325-M348 HydrophobicContact CD1-SD 3.94Å; Y325-M348 HydrophobicContact CD2-CE 3.55Å; Y325-M348 HydrophobicContact CE1-CE 3.67Å; Y325-M348 HydrophobicContact CE1-CG 4.3Å; Y325-M348 HydrophobicContact CE1-SD 3.5Å; Y325-M348 WeakPolarHBondContact CE1-SD 3.3Å; Y325-M348 HydrophobicContact CE2-CE 3.65Å; Y325-M348 HydrophobicContact CE2-CG 4.12Å; Y325-M348 HydrophobicContact CE2-SD 4.12Å; Y325-M348 HydrophobicContact CG-CE 3.49Å; Y325-M348 VanDerWaalsContact CG-CE 3.49Å; Y325-M348 HydrophobicContact CG-SD 4.43Å; Y325-M348 VanDerWaalsContact CZ-SD 3.59Å; Y325-M348 VanDerWaalsContact N-CE 3.27Å; H346-M348 VanDerWaalsContact C-N 3.26Å; H346-M348 PolarHBondContact O-N 3.37Å; M348-M350 VanDerWaalsContact C-N 3.31Å; M348-M350 PolarHBondContact O-N 3.09Å; M348-H404 HydrophobicContact SD-CB 3.51Å; M348-H404 VanDerWaalsContact SD-CB 3.51Å
349	G	96.1	Very high	94.6	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.7	37.7	176.9	0	0	0	0	0	113.2	L288 L322 A351	L288-G349 WeakPolarHBondContact O-CA 3.37Å; L322-G349 VanDerWaalsContact CB-O 3.31Å; L322-G349 WeakPolarHBondContact CB-O 3.27Å; L322-G349 WeakPolarHBondContact CG-O 3.27Å; L322-G349 PolarHBondContact N-O 3.42Å; L322-G349 VanDerWaalsContact N-O 3.07Å; G349-A351 PolarHBondContact O-N 3.02Å
350	M	96.8	Very high	94.8	Very high	4 Å²	4	28 Å²	28	2%	0.02	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	122.2	-177.3	178	169.1	66.9	0	0	110.8	W265 L288 I319 I320 W341 M348 W375 L379	W265-M350 HydrophobicContact CH2-CE 4.46Å; W265-M350 HydrophobicContact CZ2-CE 3.5Å; W265-M350 VanDerWaalsContact CZ2-CE 3.5Å; L288-M350 VanDerWaalsContact CB-O 3.29Å; L288-M350 WeakPolarHBondContact CB-O 3.38Å; L288-M350 HydrophobicContact CD1-CE 3.38Å; L288-M350 WeakPolarHBondContact CG-O 3.27Å; L288-M350 PolarHBondContact N-O 3.31Å; L288-M350 PolarHBondContact O-N 3.32Å; I319-M350 HydrophobicContact CB-CG 4.14Å; I319-M350 HydrophobicContact CB-SD 4.34Å; I319-M350 HydrophobicContact CD1-CG 4.09Å; I319-M350 HydrophobicContact CD1-SD 3.35Å; I319-M350 WeakPolarHBondContact CD1-SD 3.42Å; I319-M350 HydrophobicContact CG1-SD 4.39Å; I319-M350 HydrophobicContact CG2-CG 4.41Å; I319-M350 HydrophobicContact CG2-SD 4.3Å; I320-M350 CarbonylContact O-C 3.07Å; I320-M350 VanDerWaalsContact O-CA 3.28Å; I320-M350 WeakPolarHBondContact O-CA 3.48Å; W341-M350 HydrophobicContact CH2-CG 4.45Å; W341-M350 HydrophobicContact CH2-SD 3.58Å; W341-M350 VanDerWaalsContact CH2-SD 3.58Å; W341-M350 HydrophobicContact CZ2-SD 4.26Å; W341-M350 HydrophobicContact CZ3-SD 3.95Å; M348-M350 VanDerWaalsContact C-N 3.31Å; M348-M350 PolarHBondContact O-N 3.09Å; M350-W375 HydrophobicContact CE-CH2 4.23Å; M350-W375 HydrophobicContact CE-CZ3 3.75Å; M350-L379 HydrophobicContact CE-CD2 3.99Å; M350-L379 HydrophobicContact SD-CD2 3.87Å
351	A	98.1	Very high	94.9	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	124.6	172	0	0	0	0	0	110.6	Y285 F286 I287 I319 I320 L322 G349	Y285-A351 HydrophobicContact CD1-CB 4.34Å; Y285-A351 HydrophobicContact CG-CB 4.3Å; F286-A351 VanDerWaalsContact O-CA 3.3Å; F286-A351 WeakPolarHBondContact O-CA 3.48Å; I287-A351 HydrophobicContact CG1-CB 4.05Å; I319-A351 WeakPolarHBondContact CA-O 3.38Å; I320-A351 HydrophobicContact CB-CB 3.91Å; I320-A351 HydrophobicContact CD1-CB 4.31Å; I320-A351 PolarHBondContact N-O 3.26Å; I320-A351 PolarHBondContact O-N 2.69Å; L322-A351 HydrophobicContact CD1-CB 4.4Å; G349-A351 PolarHBondContact O-N 3.02Å
352	V	98	Very high	95.1	Very high	2 Å²	2	35.2 Å²	35.2	1%	0.012	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	138.5	-176.7	54.5	0	0	0	0	110.5	M273 F286 L288 I319 V356 W357 I360	M273-V352 HydrophobicContact CE-CB 4.49Å; M273-V352 HydrophobicContact CE-CG1 3.52Å; M273-V352 HydrophobicContact CE-CG2 4.39Å; F286-V352 HydrophobicContact CB-CG1 4.35Å; F286-V352 PolarHBondContact N-O 2.83Å; F286-V352 PolarHBondContact O-N 3.49Å; L288-V352 HydrophobicContact CD1-CG1 4.01Å; L288-V352 HydrophobicContact CG-CG1 4.35Å; I319-V352 HydrophobicContact CG2-CB 4.01Å; I319-V352 HydrophobicContact CG2-CG2 4.12Å; V352-V356 HydrophobicContact CG2-CB 4.14Å; V352-V356 HydrophobicContact CG2-CG1 4.09Å; V352-W357 HydrophobicContact CG2-CB 4.39Å; V352-I360 HydrophobicContact CG2-CD1 4.44Å
353	S	97.7	Very high	95.4	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.165	C	C	.	.			trans	-96.3	164.1	175.1	78.7	0	0	0	0	111.4	P313 T316 V355 V356 W357	P313-S353 WeakPolarHBondContact O-CB 3.38Å; P313-S353 PolarHBondContact O-OG 2.89Å; T316-S353 VanDerWaalsContact CG2-OG 3.28Å; T316-S353 WeakPolarHBondContact CG2-OG 3.34Å; S353-V355 PolarHBondContact O-N 3.43Å; S353-V355 PolarHBondContact OG-N 3.32Å; S353-V356 PolarHBondContact O-N 3.18Å; S353-V356 PolarHBondContact OG-N 3.36Å; S353-W357 PolarHBondContact O-N 3.12Å
354	R	97.3	Very high	95.6	Very high	52 Å²	52	34.1 Å²	34.1	20%	0.196	17%	0.165	C	C	.	.	H	α-helix	trans	-58.8	-33.4	173.5	-64.7	-174.5	168.2	-77.4	2.2	113	M273 T279 Y282 F286 K358	M273-R354 VanDerWaalsContact O-CZ 3.3Å; M273-R354 PolarHBondContact O-NH1 3.22Å; M273-R354 PolarHBondContact O-NH2 3.49Å; T279-R354 PolarHBondContact O-NH2 3.3Å; Y282-R354 WeakPolarHBondContact O-CD 3.13Å; Y282-R354 PolarHBondContact O-NE 2.94Å; F286-R354 HydrophobicContact CE2-CG 3.87Å; R354-K358 WeakPolarHBondContact O-CG 3.43Å; R354-K358 PolarHBondContact O-N 2.7Å
355	V	96.4	Very high	96	Very high	50 Å²	50	34.8 Å²	34.8	30%	0.303	17%	0.165	S	C	.	.	H	α-helix	trans	-63.6	-45.8	178.5	174.5	0	0	0	0	110.3	P313 S353 N359	P313-V355 WeakPolarHBondContact O-CG2 3.35Å; S353-V355 PolarHBondContact O-N 3.43Å; S353-V355 PolarHBondContact OG-N 3.32Å; V355-N359 PolarHBondContact O-N 2.91Å
356	V	96.8	Very high	96.4	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-72.9	-39.9	179.8	175.5	0	0	0	0	110.9	T316 G318 I319 V352 S353 K358 N359 I360 F387 L391	T316-V356 HydrophobicContact CG2-CG2 3.77Å; G318-V356 VanDerWaalsContact O-CG2 3.29Å; G318-V356 WeakPolarHBondContact O-CG2 3.3Å; I319-V356 HydrophobicContact CG2-CG1 3.87Å; V352-V356 HydrophobicContact CG2-CB 4.14Å; V352-V356 HydrophobicContact CG2-CG1 4.09Å; S353-V356 PolarHBondContact O-N 3.18Å; S353-V356 PolarHBondContact OG-N 3.36Å; V356-K358 VanDerWaalsContact C-N 3.31Å; V356-K358 PolarHBondContact O-N 3.24Å; V356-N359 WeakPolarHBondContact O-CA 3.48Å; V356-N359 WeakPolarHBondContact O-CB 3.39Å; V356-N359 PolarHBondContact O-N 2.98Å; V356-I360 HydrophobicContact CG1-CD1 4.36Å; V356-I360 WeakPolarHBondContact O-CG1 3.47Å; V356-I360 PolarHBondContact O-N 3.45Å; V356-F387 HydrophobicContact CG1-CE1 4.5Å; V356-L391 HydrophobicContact CG1-CD1 4.18Å
357	W	97.1	Very high	96.7	Very high	3 Å²	3	31.1 Å²	31.1	1%	0.011	15%	0.151	C	C	.	.	H	α-helix	trans	-57.4	-43	175	-174.3	-107.7	0	0	0	112.1	W265 L266 I269 E270 M273 V352 S353 N359 I360 E361	W265-W357 HydrophobicContact CH2-CZ3 4.03Å; W265-W357 HydrophobicContact CZ3-CH2 4.41Å; W265-W357 HydrophobicContact CZ3-CZ3 4.26Å; L266-W357 HydrophobicContact CD1-CH2 3.88Å; L266-W357 HydrophobicContact CD1-CZ2 4.25Å; I269-W357 HydrophobicContact CB-CH2 3.7Å; I269-W357 HydrophobicContact CB-CZ2 4.07Å; I269-W357 HydrophobicContact CB-CZ3 3.95Å; I269-W357 HydrophobicContact CD1-CH2 4.38Å; I269-W357 HydrophobicContact CD1-CZ3 4.07Å; I269-W357 HydrophobicContact CG2-CD2 3.74Å; I269-W357 HydrophobicContact CG2-CE3 3.52Å; I269-W357 HydrophobicContact CG2-CH2 3.56Å; I269-W357 HydrophobicContact CG2-CZ2 3.77Å; I269-W357 HydrophobicContact CG2-CZ3 3.43Å; I269-W357 VanDerWaalsContact CG2-CZ3 3.43Å; E270-W357 HydrophobicContact CB-CZ2 4.19Å; E270-W357 WeakPolarHBondContact OE2-CZ2 3.23Å; E270-W357 PolarHBondContact OE2-NE1 2.73Å; E270-W357 VanDerWaalsContact OE2-NE1 3.13Å; M273-W357 HydrophobicContact CE-CB 4.28Å; M273-W357 HydrophobicContact CE-CG 4.41Å; M273-W357 HydrophobicContact SD-CB 3.53Å; M273-W357 VanDerWaalsContact SD-CB 3.53Å; M273-W357 HydrophobicContact SD-CD2 4.13Å; M273-W357 HydrophobicContact SD-CG 3.48Å; V352-W357 HydrophobicContact CG2-CB 4.39Å; S353-W357 PolarHBondContact O-N 3.12Å; W357-N359 PolarHBondContact O-N 3.36Å; W357-I360 HydrophobicContact CE3-CB 4.15Å; W357-I360 HydrophobicContact CE3-CD1 3.87Å; W357-I360 HydrophobicContact CE3-CG2 4.15Å; W357-I360 HydrophobicContact CH2-CG2 4.44Å; W357-I360 HydrophobicContact CZ3-CB 4.43Å; W357-I360 HydrophobicContact CZ3-CD1 4.21Å; W357-I360 HydrophobicContact CZ3-CG2 3.92Å; W357-I360 CarbonylContact O-C 3.54Å; W357-I360 WeakPolarHBondContact O-CA 3.28Å; W357-I360 WeakPolarHBondContact O-CB 3.42Å; W357-I360 PolarHBondContact O-N 3.48Å; W357-E361 HydrophobicContact CG-CG 4.5Å; W357-E361 PolarHBondContact NE1-OE1 2.99Å; W357-E361 WeakPolarHBondContact O-CG 3.29Å; W357-E361 PolarHBondContact O-N 2.91Å
358	K	95.7	Very high	97	Very high	131 Å²	131	30 Å²	30	57%	0.57	15%	0.145	S	C	*	.	H	α-helix	trans	-58.6	-32.8	174.1	-76.7	178.7	178.1	-175.5	0	113.8	R354 V356 E361 Q362	R354-K358 WeakPolarHBondContact O-CG 3.43Å; R354-K358 PolarHBondContact O-N 2.7Å; V356-K358 VanDerWaalsContact C-N 3.31Å; V356-K358 PolarHBondContact O-N 3.24Å; K358-E361 WeakPolarHBondContact CA-OE2 3.4Å; K358-Q362 WeakPolarHBondContact O-CG 3.11Å; K358-Q362 PolarHBondContact O-N 3.44Å
359	N	95.6	Very high	97.2	Very high	40 Å²	40	33.9 Å²	33.9	21%	0.214	16%	0.162	C	C	.	.	H	α-helix	trans	-73.7	-37.6	173.2	-64.2	-19.8	0	0	0	111.2	V355 V356 W357 Q362 F387	V355-N359 PolarHBondContact O-N 2.91Å; V356-N359 WeakPolarHBondContact O-CA 3.48Å; V356-N359 WeakPolarHBondContact O-CB 3.39Å; V356-N359 PolarHBondContact O-N 2.98Å; W357-N359 PolarHBondContact O-N 3.36Å; N359-Q362 PolarHBondContact O-N 2.91Å; N359-F387 HydrophobicContact CB-CD1 4.4Å; N359-F387 HydrophobicContact CB-CE1 3.7Å; N359-F387 HydrophobicContact CB-CZ 3.86Å
360	I	97.2	Very high	97.2	Very high	3 Å²	3	35.1 Å²	35.1	2%	0.015	17%	0.167	C	C	.	.	H	α-helix	trans	-59.9	-46.8	172.3	-63.6	176.6	0	0	0	110.2	V352 V356 W357 Q362 C363 L364 L379 I382 F387	V352-I360 HydrophobicContact CG2-CD1 4.44Å; V356-I360 HydrophobicContact CG1-CD1 4.36Å; V356-I360 WeakPolarHBondContact O-CG1 3.47Å; V356-I360 PolarHBondContact O-N 3.45Å; W357-I360 HydrophobicContact CE3-CB 4.15Å; W357-I360 HydrophobicContact CE3-CD1 3.87Å; W357-I360 HydrophobicContact CE3-CG2 4.15Å; W357-I360 HydrophobicContact CH2-CG2 4.44Å; W357-I360 HydrophobicContact CZ3-CB 4.43Å; W357-I360 HydrophobicContact CZ3-CD1 4.21Å; W357-I360 HydrophobicContact CZ3-CG2 3.92Å; W357-I360 CarbonylContact O-C 3.54Å; W357-I360 WeakPolarHBondContact O-CA 3.28Å; W357-I360 WeakPolarHBondContact O-CB 3.42Å; W357-I360 PolarHBondContact O-N 3.48Å; I360-Q362 VanDerWaalsContact C-N 3.26Å; I360-Q362 PolarHBondContact O-N 3.28Å; I360-C363 CarbonylContact O-C 3.44Å; I360-C363 WeakPolarHBondContact O-CA 3.25Å; I360-C363 WeakPolarHBondContact O-CB 3.35Å; I360-C363 PolarHBondContact O-N 3.39Å; I360-L364 HydrophobicContact CG2-CD2 3.87Å; I360-L364 HydrophobicContact CG2-CG 4.34Å; I360-L364 WeakPolarHBondContact O-CG 3.32Å; I360-L364 PolarHBondContact O-N 3.42Å; I360-L364 VanDerWaalsContact O-N 3.09Å; I360-L379 HydrophobicContact CD1-CD1 3.96Å; I360-L379 HydrophobicContact CG1-CD1 4.28Å; I360-I382 HydrophobicContact CG2-CD1 4.02Å; I360-F387 HydrophobicContact CB-CZ 4.42Å; I360-F387 HydrophobicContact CG1-CE2 4.01Å; I360-F387 HydrophobicContact CG1-CZ 3.54Å
361	E	96.4	Very high	97.3	Very high	51 Å²	51	35.4 Å²	35.4	24%	0.238	17%	0.169	C	C	.	.	H	α-helix	trans	-52.1	-43.2	179.8	-75.8	173	167	0	0	112.4	N274 W357 K358 C363 L364	N274-E361 PolarHBondContact ND2-OE1 2.96Å; W357-E361 HydrophobicContact CG-CG 4.5Å; W357-E361 PolarHBondContact NE1-OE1 2.99Å; W357-E361 WeakPolarHBondContact O-CG 3.29Å; W357-E361 PolarHBondContact O-N 2.91Å; K358-E361 WeakPolarHBondContact CA-OE2 3.4Å; E361-C363 PolarHBondContact O-N 3.04Å; E361-L364 HydrophobicContact CB-CD1 4.43Å; E361-L364 HydrophobicContact CG-CD1 4.28Å; E361-L364 PolarHBondContact O-N 3.43Å
362	Q	96.6	Very high	97.2	Very high	146 Å²	146	35.4 Å²	35.4	68%	0.682	17%	0.169	S	C	*	.	H	α-helix	trans	-63	-24.3	177.2	-66.9	174.3	16.2	0	0	113	K358 N359 I360	K358-Q362 WeakPolarHBondContact O-CG 3.11Å; K358-Q362 PolarHBondContact O-N 3.44Å; N359-Q362 PolarHBondContact O-N 2.91Å; I360-Q362 VanDerWaalsContact C-N 3.26Å; I360-Q362 PolarHBondContact O-N 3.28Å
363	C	97.8	Very high	97.2	Very high	4 Å²	4	37 Å²	37	3%	0.027	18%	0.175	C	C	.	.	H	α-helix	trans	-101.4	-0.7	-179	-60.6	0	0	0	0	113.7	I360 E361 N365 L366 F367 I382 C386	I360-C363 CarbonylContact O-C 3.44Å; I360-C363 WeakPolarHBondContact O-CA 3.25Å; I360-C363 WeakPolarHBondContact O-CB 3.35Å; I360-C363 PolarHBondContact O-N 3.39Å; E361-C363 PolarHBondContact O-N 3.04Å; C363-N365 VanDerWaalsContact C-N 3.27Å; C363-N365 PolarHBondContact O-N 3.29Å; C363-L366 WeakPolarHBondContact O-CB 3.28Å; C363-L366 PolarHBondContact O-N 3.49Å; C363-F367 PolarHBondContact O-N 3.39Å; C363-I382 HydrophobicContact CB-CB 3.88Å; C363-I382 HydrophobicContact CB-CD1 3.91Å; C363-I382 HydrophobicContact CB-CG1 4.41Å; C363-I382 HydrophobicContact CB-CG2 4.23Å; C363-C386 WeakPolarHBondContact CA-SG 3.47Å; C363-C386 HydrophobicContact CB-CB 3.76Å; C363-C386 WeakPolarHBondContact CB-SG 3.46Å; C363-C386 WeakPolarHBondContact SG-CB 3.42Å; C363-C386 CovalentContact SG-SG 2.03Å; C363-C386 PolarHBondContact SG-SG 3.18Å
364	L	98	Very high	97.2	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-65.3	-27.7	-173.2	-75.8	176.8	0	0	0	113.8	L266 I360 E361 L366 F367 C368 F476	L266-L364 HydrophobicContact CD1-CD1 3.92Å; L266-L364 HydrophobicContact CD1-CD2 3.57Å; L266-L364 HydrophobicContact CD1-CG 4.41Å; L266-L364 HydrophobicContact CD2-CD2 4.47Å; I360-L364 HydrophobicContact CG2-CD2 3.87Å; I360-L364 HydrophobicContact CG2-CG 4.34Å; I360-L364 WeakPolarHBondContact O-CG 3.32Å; I360-L364 PolarHBondContact O-N 3.42Å; I360-L364 VanDerWaalsContact O-N 3.09Å; E361-L364 HydrophobicContact CB-CD1 4.43Å; E361-L364 HydrophobicContact CG-CD1 4.28Å; E361-L364 PolarHBondContact O-N 3.43Å; L364-L366 VanDerWaalsContact C-N 3.32Å; L364-L366 PolarHBondContact O-N 2.9Å; L364-F367 HydrophobicContact CD2-CB 4.26Å; L364-F367 HydrophobicContact CD2-CD1 4.38Å; L364-F367 HydrophobicContact CD2-CG 4.3Å; L364-F367 WeakPolarHBondContact O-CB 3.33Å; L364-F367 PolarHBondContact O-N 3.08Å; L364-C368 WeakPolarHBondContact O-CB 3.27Å; L364-C368 PolarHBondContact O-N 3.48Å; L364-C368 PolarHBondContact O-SG 3.03Å; L364-F476 HydrophobicContact CB-CD1 3.62Å; L364-F476 HydrophobicContact CB-CD2 4.22Å; L364-F476 HydrophobicContact CB-CE1 3.54Å; L364-F476 HydrophobicContact CB-CE2 4.21Å; L364-F476 HydrophobicContact CB-CG 3.95Å; L364-F476 HydrophobicContact CB-CZ 3.88Å; L364-F476 HydrophobicContact CD1-CB 3.46Å; L364-F476 VanDerWaalsContact CD1-CB 3.46Å; L364-F476 HydrophobicContact CD1-CD1 3.78Å; L364-F476 HydrophobicContact CD1-CD2 4.2Å; L364-F476 HydrophobicContact CD1-CG 3.56Å; L364-F476 HydrophobicContact CG-CD1 4.3Å; L364-F476 HydrophobicContact CG-CG 4.42Å
365	N	97.6	Very high	97.2	Very high	82 Å²	82	36.3 Å²	36.3	44%	0.439	17%	0.174	S	C	.	.	H	α-helix	trans	-57.3	-48.9	169.5	-81.1	-50.7	0	0	0	110.9	C363 F367 C368 F369 Q473 F476	C363-N365 VanDerWaalsContact C-N 3.27Å; C363-N365 PolarHBondContact O-N 3.29Å; N365-F367 VanDerWaalsContact C-N 3.33Å; N365-F367 PolarHBondContact O-N 2.95Å; N365-C368 PolarHBondContact O-N 2.92Å; N365-F369 WeakPolarHBondContact O-CD2 3.15Å; N365-F369 PolarHBondContact O-N 3.25Å; N365-F369 VanDerWaalsContact O-N 3.1Å; N365-Q473 PolarHBondContact OD1-NE2 2.71Å; N365-F476 WeakPolarHBondContact OD1-CZ 3.42Å
366	L	97.7	Very high	97.1	Very high	58 Å²	58	34.7 Å²	34.7	30%	0.304	16%	0.164	S	C	.	.	H	α-helix	trans	-65.6	-37.3	178.9	-171.5	63.2	0	0	0	111.8	C363 L364 C368 F369 Y370 Y381 I382 N385 C386	C363-L366 WeakPolarHBondContact O-CB 3.28Å; C363-L366 PolarHBondContact O-N 3.49Å; L364-L366 VanDerWaalsContact C-N 3.32Å; L364-L366 PolarHBondContact O-N 2.9Å; L366-C368 VanDerWaalsContact C-N 3.35Å; L366-C368 PolarHBondContact O-N 3.18Å; L366-F369 PolarHBondContact O-N 3.04Å; L366-Y370 WeakPolarHBondContact O-CB 3.45Å; L366-Y370 PolarHBondContact O-N 3.07Å; L366-Y381 HydrophobicContact CD1-CE1 3.65Å; L366-Y381 HydrophobicContact CD2-CD1 4.16Å; L366-Y381 HydrophobicContact CD2-CE1 3.74Å; L366-Y381 HydrophobicContact CG-CD1 3.99Å; L366-Y381 HydrophobicContact CG-CE1 3.55Å; L366-I382 HydrophobicContact CB-CG2 3.96Å; L366-I382 HydrophobicContact CD2-CG2 4.17Å; L366-I382 HydrophobicContact CG-CG2 4.07Å; L366-N385 HydrophobicContact CD2-CB 4.4Å; L366-C386 HydrophobicContact CD2-CB 3.93Å
367	F	98.3	Very high	97.1	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-58.9	-44.3	173.8	-179.8	-87.2	0	0	0	112.3	K262 W265 L266 C363 L364 N365 W375 L379 I382	K262-F367 HydrophobicContact CD-CE1 4.08Å; K262-F367 HydrophobicContact CD-CZ 4.24Å; K262-F367 WeakPolarHBondContact CE-O 3.48Å; K262-F367 HydrophobicContact CG-CE1 3.74Å; K262-F367 HydrophobicContact CG-CZ 3.88Å; K262-F367 PolarHBondContact NZ-O 2.93Å; W265-F367 HydrophobicContact CE3-CZ 4.14Å; W265-F367 HydrophobicContact CZ3-CE2 4.34Å; W265-F367 HydrophobicContact CZ3-CZ 4.16Å; L266-F367 HydrophobicContact CD2-CE1 4.43Å; C363-F367 PolarHBondContact O-N 3.39Å; L364-F367 HydrophobicContact CD2-CB 4.26Å; L364-F367 HydrophobicContact CD2-CD1 4.38Å; L364-F367 HydrophobicContact CD2-CG 4.3Å; L364-F367 WeakPolarHBondContact O-CB 3.33Å; L364-F367 PolarHBondContact O-N 3.08Å; N365-F367 VanDerWaalsContact C-N 3.33Å; N365-F367 PolarHBondContact O-N 2.95Å; F367-W375 WeakPolarHBondContact CE2-O 3.24Å; F367-W375 HydrophobicContact CZ-CB 4.09Å; F367-L379 HydrophobicContact CE2-CB 4.47Å; F367-I382 HydrophobicContact CB-CD1 4.3Å; F367-I382 HydrophobicContact CB-CG2 3.89Å; F367-I382 HydrophobicContact CD2-CD1 4.14Å
368	C	98.1	Very high	97.1	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-72.1	-28.9	-179.7	-65.9	0	0	0	0	113	L364 N365 L366 W463 R469 C472 Q473	L364-C368 WeakPolarHBondContact O-CB 3.27Å; L364-C368 PolarHBondContact O-N 3.48Å; L364-C368 PolarHBondContact O-SG 3.03Å; N365-C368 PolarHBondContact O-N 2.92Å; L366-C368 VanDerWaalsContact C-N 3.35Å; L366-C368 PolarHBondContact O-N 3.18Å; C368-W463 VanDerWaalsContact O-CD1 3.25Å; C368-W463 PolarHBondContact O-NE1 2.91Å; C368-R469 WeakPolarHBondContact O-CG 3.17Å; C368-C472 WeakPolarHBondContact CA-SG 3.38Å; C368-C472 HydrophobicContact CB-CB 3.69Å; C368-C472 WeakPolarHBondContact CB-SG 3.45Å; C368-C472 WeakPolarHBondContact SG-CB 3.34Å; C368-C472 CovalentContact SG-SG 2.04Å; C368-C472 PolarHBondContact SG-SG 2.75Å; C368-Q473 HydrophobicContact CB-CG 3.98Å
369	F	97.3	Very high	97.2	Very high	86 Å²	86	31.5 Å²	31.5	38%	0.377	15%	0.148	S	C	.	.	H	α-helix	trans	-86.6	-23	177.5	-80.9	-68.8	0	0	0	114.4	N365 L366 D371 R469 Q473	N365-F369 WeakPolarHBondContact O-CD2 3.15Å; N365-F369 PolarHBondContact O-N 3.25Å; N365-F369 VanDerWaalsContact O-N 3.1Å; L366-F369 PolarHBondContact O-N 3.04Å; F369-D371 PolarHBondContact O-N 3.19Å; F369-R469 PolarHBondContact O-NH2 3.04Å; F369-Q473 VanDerWaalsContact CE2-NE2 3.3Å
370	Y	97.4	Very high	97.2	Very high	26 Å²	26	29.8 Å²	29.8	10%	0.102	14%	0.139	C	C	.	.	S	Bend	trans	-63.6	123.8	177.3	-174.7	-114.4	0	0	0	110	K262 L366 D372 Y381 R458 V459 W463	K262-Y370 PolarHBondContact NZ-O 2.95Å; L366-Y370 WeakPolarHBondContact O-CB 3.45Å; L366-Y370 PolarHBondContact O-N 3.07Å; Y370-D372 HydrophobicContact CD1-CB 3.47Å; Y370-D372 VanDerWaalsContact CD1-CB 3.47Å; Y370-D372 HydrophobicContact CE1-CB 3.32Å; Y370-D372 PolarHBondContact O-N 2.98Å; Y370-Y381 HydrophobicContact CD1-CD1 4.33Å; Y370-Y381 HydrophobicContact CD1-CG 4.02Å; Y370-Y381 AromaticContact CD2-CD1 3.45Å; Y370-Y381 HydrophobicContact CD2-CD1 3.45Å; Y370-Y381 VanDerWaalsContact CD2-CD1 3.45Å; Y370-Y381 AromaticContact CD2-CD2 3.48Å; Y370-Y381 HydrophobicContact CD2-CD2 3.48Å; Y370-Y381 VanDerWaalsContact CD2-CD2 3.48Å; Y370-Y381 AromaticContact CD2-CE1 3.62Å; Y370-Y381 HydrophobicContact CD2-CE1 3.62Å; Y370-Y381 AromaticContact CD2-CE2 3.72Å; Y370-Y381 HydrophobicContact CD2-CE2 3.72Å; Y370-Y381 AromaticContact CD2-CG 3.36Å; Y370-Y381 HydrophobicContact CD2-CG 3.36Å; Y370-Y381 AromaticContact CD2-CZ 3.79Å; Y370-Y381 HydrophobicContact CE1-CD2 4.44Å; Y370-Y381 HydrophobicContact CE1-CG 4.14Å; Y370-Y381 HydrophobicContact CE2-CD1 4.1Å; Y370-Y381 AromaticContact CE2-CD2 3.23Å; Y370-Y381 HydrophobicContact CE2-CD2 3.23Å; Y370-Y381 HydrophobicContact CE2-CE1 4.35Å; Y370-Y381 AromaticContact CE2-CE2 3.6Å; Y370-Y381 HydrophobicContact CE2-CE2 3.6Å; Y370-Y381 AromaticContact CE2-CG 3.53Å; Y370-Y381 HydrophobicContact CE2-CG 3.53Å; Y370-Y381 AromaticContact CG-CD1 3.58Å; Y370-Y381 HydrophobicContact CG-CD1 3.58Å; Y370-Y381 HydrophobicContact CG-CD2 4.21Å; Y370-Y381 HydrophobicContact CG-CE1 4.12Å; Y370-Y381 AromaticContact CG-CG 3.63Å; Y370-Y381 HydrophobicContact CG-CG 3.63Å; Y370-Y381 AromaticContact CZ-CD2 3.76Å; Y370-Y381 AromaticContact CZ-CG 3.92Å; Y370-R458 PolarHBondContact OH-O 3.05Å; Y370-V459 HydrophobicContact CE2-CG2 4.4Å; Y370-W463 VanDerWaalsContact O-CD1 3.29Å
371	D	97.8	Very high	97.1	Very high	10 Å²	10	32.5 Å²	32.5	5%	0.053	15%	0.149	C	C	.	.	S	Bend	trans	-76.3	57.5	-172.4	-176.5	37.8	0	0	0	112.6	T249 F369 V459 G461 W463 S464	T249-D371 WeakPolarHBondContact CB-OD2 3.43Å; T249-D371 PolarHBondContact N-OD2 2.69Å; T249-D371 PolarHBondContact OG1-OD2 2.77Å; F369-D371 PolarHBondContact O-N 3.19Å; D371-V459 HydrophobicContact CB-CG2 4.03Å; D371-V459 WeakPolarHBondContact O-CG2 3.33Å; D371-G461 CarbonylContact O-C 3.42Å; D371-G461 WeakPolarHBondContact O-CA 3.45Å; D371-G461 PolarHBondContact O-N 3.46Å; D371-W463 WeakPolarHBondContact OD1-CA 3.49Å; D371-W463 PolarHBondContact OD1-N 2.75Å; D371-S464 PolarHBondContact OD1-N 3.02Å; D371-S464 PolarHBondContact OD1-OG 3.31Å; D371-S464 PolarHBondContact OD2-OG 3.14Å
372	D	97.7	Very high	97.1	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	14%	0.138	C	C	.	.	B	Isolated β-bridge	trans	-138.3	118.3	177.7	-157	-51	0	0	0	109.5	K262 Y370 N374 S378 N460 G461	K262-D372 VanDerWaalsContact CD-O 3.28Å; K262-D372 WeakPolarHBondContact CD-O 3.33Å; K262-D372 PolarHBondContact NZ-O 2.78Å; Y370-D372 HydrophobicContact CD1-CB 3.47Å; Y370-D372 VanDerWaalsContact CD1-CB 3.47Å; Y370-D372 HydrophobicContact CE1-CB 3.32Å; Y370-D372 PolarHBondContact O-N 2.98Å; D372-N374 PolarHBondContact O-N 3.49Å; D372-N374 VanDerWaalsContact OD1-CB 3.27Å; D372-N374 WeakPolarHBondContact OD1-CB 3.49Å; D372-N374 PolarHBondContact OD1-N 2.97Å; D372-N374 PolarHBondContact OD1-ND2 3.15Å; D372-S378 PolarHBondContact O-OG 3.37Å; D372-N460 PolarHBondContact OD1-ND2 3.18Å; D372-N460 WeakPolarHBondContact OD2-CB 3.26Å; D372-N460 PolarHBondContact OD2-N 3.35Å; D372-N460 PolarHBondContact OD2-ND2 3.16Å; D372-G461 WeakPolarHBondContact CA-O 3.47Å
373	Y	97	Very high	97	Very high	35 Å²	35	23.2 Å²	23.2	14%	0.137	11%	0.106	C	C	.	.	S	Bend	trans	-70	-12.8	178.5	69.2	-97.8	0	0	0	112.6	F258 K262 N460 G461	F258-Y373 HydrophobicContact CB-CD2 3.8Å; F258-Y373 HydrophobicContact CB-CE2 4.31Å; F258-Y373 HydrophobicContact CB-CG 3.95Å; F258-Y373 HydrophobicContact CD1-CD2 4.36Å; F258-Y373 HydrophobicContact CD1-CE2 4.03Å; F258-Y373 HydrophobicContact CG-CD2 4.22Å; F258-Y373 HydrophobicContact CG-CE2 4.23Å; K262-Y373 WeakPolarHBondContact CB-O 3.38Å; Y373-N460 HydrophobicContact CE1-CB 4.3Å; Y373-G461 VanDerWaalsContact CD1-O 3.25Å; Y373-G461 WeakPolarHBondContact CD1-O 3.4Å; Y373-G461 PolarHBondContact N-O 3.03Å
374	N	96.9	Very high	96.7	Very high	23 Å²	23	24.9 Å²	24.9	12%	0.123	11%	0.114	C	C	.	.			trans	-85.5	124.8	177	-52.4	-84.8	0	0	0	110.1	D372 D376 W377 S378 N460	D372-N374 PolarHBondContact O-N 3.49Å; D372-N374 VanDerWaalsContact OD1-CB 3.27Å; D372-N374 WeakPolarHBondContact OD1-CB 3.49Å; D372-N374 PolarHBondContact OD1-N 2.97Å; D372-N374 PolarHBondContact OD1-ND2 3.15Å; N374-D376 VanDerWaalsContact C-N 3.3Å; N374-D376 VanDerWaalsContact CB-OD1 3.28Å; N374-D376 WeakPolarHBondContact CB-OD1 3.37Å; N374-D376 PolarHBondContact O-N 3.48Å; N374-W377 HydrophobicContact CB-CB 4.21Å; N374-W377 HydrophobicContact CB-CG 4.3Å; N374-S378 WeakPolarHBondContact O-CB 3.41Å; N374-S378 PolarHBondContact O-N 3.3Å; N374-S378 PolarHBondContact O-OG 2.78Å; N374-N460 PolarHBondContact ND2-ND2 3.49Å
375	W	97.2	Very high	96.5	Very high	15 Å²	15	29.2 Å²	29.2	6%	0.057	14%	0.137	C	C	.	.	H	α-helix	trans	-65.2	-34.3	-178.8	63.4	-97.5	0	0	0	112.2	K262 W265 W341 N347 M350 F367 S378 L379	K262-W375 HydrophobicContact CB-CB 4.24Å; K262-W375 HydrophobicContact CG-CB 4.27Å; W265-W375 HydrophobicContact CB-CB 3.99Å; W265-W375 HydrophobicContact CB-CG 3.89Å; W265-W375 AromaticContact CD1-CD1 3.69Å; W265-W375 AromaticContact CD1-CD2 3.29Å; W265-W375 AromaticContact CD1-CE2 3.4Å; W265-W375 AromaticContact CD1-CE3 3.78Å; W265-W375 AromaticContact CD1-CG 3.52Å; W265-W375 AromaticContact CD1-CZ2 3.98Å; W265-W375 AromaticContact CD1-NE1 3.61Å; W265-W375 HydrophobicContact CD2-CB 3.88Å; W265-W375 AromaticContact CD2-CD2 3.87Å; W265-W375 HydrophobicContact CD2-CD2 3.87Å; W265-W375 AromaticContact CD2-CE3 3.91Å; W265-W375 HydrophobicContact CD2-CE3 3.91Å; W265-W375 AromaticContact CD2-CG 3.87Å; W265-W375 HydrophobicContact CD2-CG 3.87Å; W265-W375 AromaticContact CE2-CD2 3.69Å; W265-W375 AromaticContact CE2-CE3 3.35Å; W265-W375 AromaticContact CE2-CZ3 3.83Å; W265-W375 HydrophobicContact CE3-CB 4.09Å; W265-W375 HydrophobicContact CG-CB 3.81Å; W265-W375 AromaticContact CG-CD1 3.84Å; W265-W375 AromaticContact CG-CD2 3.71Å; W265-W375 HydrophobicContact CG-CD2 3.71Å; W265-W375 HydrophobicContact CG-CE3 4.22Å; W265-W375 AromaticContact CG-CG 3.49Å; W265-W375 HydrophobicContact CG-CG 3.49Å; W265-W375 VanDerWaalsContact CG-CG 3.49Å; W265-W375 HydrophobicContact CH2-CE3 4.48Å; W265-W375 HydrophobicContact CZ2-CD2 4.49Å; W265-W375 AromaticContact CZ2-CE3 3.72Å; W265-W375 HydrophobicContact CZ2-CE3 3.72Å; W265-W375 AromaticContact CZ2-CZ3 3.99Å; W265-W375 HydrophobicContact CZ2-CZ3 3.99Å; W265-W375 AromaticContact NE1-CD2 3.29Å; W265-W375 VanDerWaalsContact NE1-CD2 3.29Å; W265-W375 AromaticContact NE1-CE2 3.55Å; W265-W375 AromaticContact NE1-CE3 3.24Å; W265-W375 AromaticContact NE1-CG 3.97Å; W265-W375 AromaticContact NE1-CH2 3.76Å; W265-W375 AromaticContact NE1-CZ2 3.78Å; W265-W375 AromaticContact NE1-CZ3 3.51Å; W341-W375 HydrophobicContact CZ2-CZ3 4.39Å; N347-W375 HydrophobicContact CB-CH2 3.87Å; N347-W375 HydrophobicContact CB-CZ2 4.3Å; M350-W375 HydrophobicContact CE-CH2 4.23Å; M350-W375 HydrophobicContact CE-CZ3 3.75Å; F367-W375 WeakPolarHBondContact CE2-O 3.24Å; F367-W375 HydrophobicContact CZ-CB 4.09Å; W375-S378 PolarHBondContact O-N 3.3Å; W375-L379 HydrophobicContact CZ3-CD2 4.34Å; W375-L379 VanDerWaalsContact O-CB 3.28Å; W375-L379 WeakPolarHBondContact O-CB 3.38Å; W375-L379 PolarHBondContact O-N 3.49Å
376	D	96	Very high	96.4	Very high	16 Å²	16	27.9 Å²	27.9	9%	0.086	13%	0.133	C	C	.	.	H	α-helix	trans	-73.4	-41.9	-176.3	57	-11.2	0	0	0	112	W341 A343 N347 N374 L379 Q380	W341-D376 HydrophobicContact CZ2-CB 4.49Å; A343-D376 HydrophobicContact CB-CB 3.95Å; A343-D376 WeakPolarHBondContact CB-O 3.17Å; N347-D376 HydrophobicContact CB-CB 4.05Å; N347-D376 PolarHBondContact ND2-OD2 3.34Å; N374-D376 VanDerWaalsContact C-N 3.3Å; N374-D376 VanDerWaalsContact CB-OD1 3.28Å; N374-D376 WeakPolarHBondContact CB-OD1 3.37Å; N374-D376 PolarHBondContact O-N 3.48Å; D376-L379 PolarHBondContact O-N 3.26Å; D376-Q380 PolarHBondContact O-N 2.9Å
377	W	96.6	Very high	96.2	Very high	66 Å²	66	25.9 Å²	25.9	25%	0.25	12%	0.122	C	C	.	.	H	α-helix	trans	-65.5	-39.6	170.5	-71.6	96.2	0	0	0	111.8	A343 P344 N374 Q380 Y381	A343-W377 HydrophobicContact CB-CD2 4.03Å; A343-W377 HydrophobicContact CB-CE3 4.36Å; A343-W377 HydrophobicContact CB-CG 4.2Å; P344-W377 HydrophobicContact CB-CZ2 4.46Å; P344-W377 HydrophobicContact CG-CH2 4.3Å; P344-W377 HydrophobicContact CG-CZ2 4.4Å; N374-W377 HydrophobicContact CB-CB 4.21Å; N374-W377 HydrophobicContact CB-CG 4.3Å; W377-Q380 PolarHBondContact O-N 2.99Å; W377-Y381 PolarHBondContact O-N 3.3Å
378	S	97.2	Very high	95.5	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-63.9	-39.6	172.8	-60.7	0	0	0	0	112.2	K262 D372 N374 W375 Y381 I382	K262-S378 WeakPolarHBondContact CE-OG 3.15Å; K262-S378 PolarHBondContact NZ-OG 3.26Å; D372-S378 PolarHBondContact O-OG 3.37Å; N374-S378 WeakPolarHBondContact O-CB 3.41Å; N374-S378 PolarHBondContact O-N 3.3Å; N374-S378 PolarHBondContact O-OG 2.78Å; W375-S378 PolarHBondContact O-N 3.3Å; S378-Y381 WeakPolarHBondContact O-CB 3.42Å; S378-Y381 PolarHBondContact O-N 2.96Å; S378-I382 PolarHBondContact O-N 2.87Å; S378-I382 VanDerWaalsContact O-N 3.09Å
379	L	96.6	Very high	94.9	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-65.5	-40.4	174.4	-179.2	59.2	0	0	0	111.3	I319 W341 M350 I360 F367 W375 D376 Y381 I382 G383 L391	I319-L379 HydrophobicContact CD1-CD2 4.42Å; W341-L379 HydrophobicContact CZ2-CD2 3.97Å; M350-L379 HydrophobicContact CE-CD2 3.99Å; M350-L379 HydrophobicContact SD-CD2 3.87Å; I360-L379 HydrophobicContact CD1-CD1 3.96Å; I360-L379 HydrophobicContact CG1-CD1 4.28Å; F367-L379 HydrophobicContact CE2-CB 4.47Å; W375-L379 HydrophobicContact CZ3-CD2 4.34Å; W375-L379 VanDerWaalsContact O-CB 3.28Å; W375-L379 WeakPolarHBondContact O-CB 3.38Å; W375-L379 PolarHBondContact O-N 3.49Å; D376-L379 PolarHBondContact O-N 3.26Å; L379-Y381 VanDerWaalsContact C-N 3.31Å; L379-Y381 PolarHBondContact O-N 3.28Å; L379-I382 HydrophobicContact CD1-CD1 3.92Å; L379-I382 HydrophobicContact CD1-CG1 4.11Å; L379-I382 VanDerWaalsContact O-CG1 3.27Å; L379-I382 WeakPolarHBondContact O-CG1 3.49Å; L379-G383 WeakPolarHBondContact O-CA 3.45Å; L379-G383 PolarHBondContact O-N 3.38Å; L379-L391 HydrophobicContact CD1-CD2 3.97Å; L379-L391 HydrophobicContact CD2-CD2 4.46Å; L379-L391 HydrophobicContact CG-CD2 4.01Å
380	Q	95.4	Very high	94.6	Very high	4 Å²	4	32.4 Å²	32.4	2%	0.019	18%	0.177	C	C	.	.	H	α-helix	trans	-62.3	-40.3	172.5	-175.1	179.3	-65	0	0	111.9	A343 D376 W377 G383 Q384 Q457	A343-Q380 HydrophobicContact CB-CB 4.27Å; D376-Q380 PolarHBondContact O-N 2.9Å; W377-Q380 PolarHBondContact O-N 2.99Å; Q380-G383 PolarHBondContact O-N 2.92Å; Q380-Q384 WeakPolarHBondContact O-CG 3.38Å; Q380-Q384 PolarHBondContact O-N 3.02Å; Q380-Q457 PolarHBondContact O-NE2 3.09Å
381	Y	95.8	Very high	94.5	Very high	61 Å²	61	31.3 Å²	31.3	24%	0.239	17%	0.173	C	C	.	.	H	α-helix	trans	-58.3	-55	176.6	-176.1	-103.5	0	0	0	111.9	L366 Y370 W377 S378 L379 G383 Q384 N385	L366-Y381 HydrophobicContact CD1-CE1 3.65Å; L366-Y381 HydrophobicContact CD2-CD1 4.16Å; L366-Y381 HydrophobicContact CD2-CE1 3.74Å; L366-Y381 HydrophobicContact CG-CD1 3.99Å; L366-Y381 HydrophobicContact CG-CE1 3.55Å; Y370-Y381 HydrophobicContact CD1-CD1 4.33Å; Y370-Y381 HydrophobicContact CD1-CG 4.02Å; Y370-Y381 AromaticContact CD2-CD1 3.45Å; Y370-Y381 HydrophobicContact CD2-CD1 3.45Å; Y370-Y381 VanDerWaalsContact CD2-CD1 3.45Å; Y370-Y381 AromaticContact CD2-CD2 3.48Å; Y370-Y381 HydrophobicContact CD2-CD2 3.48Å; Y370-Y381 VanDerWaalsContact CD2-CD2 3.48Å; Y370-Y381 AromaticContact CD2-CE1 3.62Å; Y370-Y381 HydrophobicContact CD2-CE1 3.62Å; Y370-Y381 AromaticContact CD2-CE2 3.72Å; Y370-Y381 HydrophobicContact CD2-CE2 3.72Å; Y370-Y381 AromaticContact CD2-CG 3.36Å; Y370-Y381 HydrophobicContact CD2-CG 3.36Å; Y370-Y381 AromaticContact CD2-CZ 3.79Å; Y370-Y381 HydrophobicContact CE1-CD2 4.44Å; Y370-Y381 HydrophobicContact CE1-CG 4.14Å; Y370-Y381 HydrophobicContact CE2-CD1 4.1Å; Y370-Y381 AromaticContact CE2-CD2 3.23Å; Y370-Y381 HydrophobicContact CE2-CD2 3.23Å; Y370-Y381 HydrophobicContact CE2-CE1 4.35Å; Y370-Y381 AromaticContact CE2-CE2 3.6Å; Y370-Y381 HydrophobicContact CE2-CE2 3.6Å; Y370-Y381 AromaticContact CE2-CG 3.53Å; Y370-Y381 HydrophobicContact CE2-CG 3.53Å; Y370-Y381 AromaticContact CG-CD1 3.58Å; Y370-Y381 HydrophobicContact CG-CD1 3.58Å; Y370-Y381 HydrophobicContact CG-CD2 4.21Å; Y370-Y381 HydrophobicContact CG-CE1 4.12Å; Y370-Y381 AromaticContact CG-CG 3.63Å; Y370-Y381 HydrophobicContact CG-CG 3.63Å; Y370-Y381 AromaticContact CZ-CD2 3.76Å; Y370-Y381 AromaticContact CZ-CG 3.92Å; W377-Y381 PolarHBondContact O-N 3.3Å; S378-Y381 WeakPolarHBondContact O-CB 3.42Å; S378-Y381 PolarHBondContact O-N 2.96Å; L379-Y381 VanDerWaalsContact C-N 3.31Å; L379-Y381 PolarHBondContact O-N 3.28Å; Y381-G383 VanDerWaalsContact C-N 3.29Å; Y381-G383 PolarHBondContact O-N 2.78Å; Y381-Q384 PolarHBondContact O-N 3.3Å; Y381-N385 WeakPolarHBondContact CD2-ND2 3.13Å; Y381-N385 WeakPolarHBondContact CE2-ND2 2.94Å; Y381-N385 WeakPolarHBondContact O-CB 3.48Å; Y381-N385 PolarHBondContact O-N 3.04Å; Y381-N385 PolarHBondContact O-ND2 3.13Å
382	I	96.1	Very high	94.4	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-66.9	-34	178	65	169	0	0	0	112.2	I360 C363 L366 F367 S378 L379 Q384 N385 C386 F387	I360-I382 HydrophobicContact CG2-CD1 4.02Å; C363-I382 HydrophobicContact CB-CB 3.88Å; C363-I382 HydrophobicContact CB-CD1 3.91Å; C363-I382 HydrophobicContact CB-CG1 4.41Å; C363-I382 HydrophobicContact CB-CG2 4.23Å; L366-I382 HydrophobicContact CB-CG2 3.96Å; L366-I382 HydrophobicContact CD2-CG2 4.17Å; L366-I382 HydrophobicContact CG-CG2 4.07Å; F367-I382 HydrophobicContact CB-CD1 4.3Å; F367-I382 HydrophobicContact CB-CG2 3.89Å; F367-I382 HydrophobicContact CD2-CD1 4.14Å; S378-I382 PolarHBondContact O-N 2.87Å; S378-I382 VanDerWaalsContact O-N 3.09Å; L379-I382 HydrophobicContact CD1-CD1 3.92Å; L379-I382 HydrophobicContact CD1-CG1 4.11Å; L379-I382 VanDerWaalsContact O-CG1 3.27Å; L379-I382 WeakPolarHBondContact O-CG1 3.49Å; I382-Q384 PolarHBondContact O-N 3.09Å; I382-N385 PolarHBondContact O-N 2.82Å; I382-C386 HydrophobicContact CB-CB 4.4Å; I382-C386 WeakPolarHBondContact O-CA 3.49Å; I382-C386 WeakPolarHBondContact O-CB 2.99Å; I382-C386 PolarHBondContact O-N 3.39Å; I382-F387 HydrophobicContact CD1-CE2 4.43Å; I382-F387 PolarHBondContact O-N 2.87Å
383	G	94.5	Very high	94.3	Very high	2 Å²	2	32.8 Å²	32.8	2%	0.021	18%	0.179	C	C	.	.	H	α-helix	trans	-62.5	-30	177.5	0	0	0	0	0	112.4	L379 Q380 Y381 K390 L391	L379-G383 WeakPolarHBondContact O-CA 3.45Å; L379-G383 PolarHBondContact O-N 3.38Å; Q380-G383 PolarHBondContact O-N 2.92Å; Y381-G383 VanDerWaalsContact C-N 3.29Å; Y381-G383 PolarHBondContact O-N 2.78Å; G383-K390 CarbonylContact O-C 3.58Å; G383-K390 WeakPolarHBondContact O-CA 3.39Å; G383-L391 PolarHBondContact O-N 3.06Å
384	Q	92.6	Very high	94.3	Very high	38 Å²	38	31.1 Å²	31.1	18%	0.178	17%	0.172	C	C	.	.	H	α-helix	trans	-94.8	-28.2	177.8	-65.7	179.4	7.3	0	0	113.4	Q380 Y381 I382 Q457	Q380-Q384 WeakPolarHBondContact O-CG 3.38Å; Q380-Q384 PolarHBondContact O-N 3.02Å; Y381-Q384 PolarHBondContact O-N 3.3Å; I382-Q384 PolarHBondContact O-N 3.09Å; Q384-Q457 VanDerWaalsContact OE1-CD 3.22Å
385	N	93.7	Very high	94.2	Very high	91 Å²	91	30.8 Å²	30.8	49%	0.487	17%	0.171	S	C	.	.	H	α-helix	trans	-111	-14.1	-168.7	-61.8	-72.2	0	0	0	115.1	L366 Y381 I382 Q457	L366-N385 HydrophobicContact CD2-CB 4.4Å; Y381-N385 WeakPolarHBondContact CD2-ND2 3.13Å; Y381-N385 WeakPolarHBondContact CE2-ND2 2.94Å; Y381-N385 WeakPolarHBondContact O-CB 3.48Å; Y381-N385 PolarHBondContact O-N 3.04Å; Y381-N385 PolarHBondContact O-ND2 3.13Å; I382-N385 PolarHBondContact O-N 2.82Å; N385-Q457 PolarHBondContact ND2-NE2 3.08Å; N385-Q457 PolarHBondContact ND2-OE1 2.72Å
386	C	95.5	Very high	94.1	Very high	54 Å²	54	30.5 Å²	30.5	37%	0.365	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-124.8	-29.5	-177.2	177.6	0	0	0	0	113.6	C363 L366 I382	C363-C386 WeakPolarHBondContact CA-SG 3.47Å; C363-C386 HydrophobicContact CB-CB 3.76Å; C363-C386 WeakPolarHBondContact CB-SG 3.46Å; C363-C386 WeakPolarHBondContact SG-CB 3.42Å; C363-C386 CovalentContact SG-SG 2.03Å; C363-C386 PolarHBondContact SG-SG 3.18Å; L366-C386 HydrophobicContact CD2-CB 3.93Å; I382-C386 HydrophobicContact CB-CB 4.4Å; I382-C386 WeakPolarHBondContact O-CA 3.49Å; I382-C386 WeakPolarHBondContact O-CB 2.99Å; I382-C386 PolarHBondContact O-N 3.39Å
387	F	92.2	Very high	93.8	Very high	17 Å²	17	31.6 Å²	31.6	8%	0.075	18%	0.178	C	C	.	.	S	Bend	trans	-67.4	138.9	-178.1	-96.1	-112.1	0	0	0	113.9	V356 N359 I360 I382 G389 K390 L391	V356-F387 HydrophobicContact CG1-CE1 4.5Å; N359-F387 HydrophobicContact CB-CD1 4.4Å; N359-F387 HydrophobicContact CB-CE1 3.7Å; N359-F387 HydrophobicContact CB-CZ 3.86Å; I360-F387 HydrophobicContact CB-CZ 4.42Å; I360-F387 HydrophobicContact CG1-CE2 4.01Å; I360-F387 HydrophobicContact CG1-CZ 3.54Å; I382-F387 HydrophobicContact CD1-CE2 4.43Å; I382-F387 PolarHBondContact O-N 2.87Å; F387-G389 PolarHBondContact O-N 2.97Å; F387-K390 PolarHBondContact O-N 2.96Å; F387-L391 HydrophobicContact CD1-CB 4.1Å; F387-L391 HydrophobicContact CD1-CD1 4.06Å; F387-L391 HydrophobicContact CE1-CB 4.4Å; F387-L391 HydrophobicContact CE1-CD1 3.61Å; F387-L391 HydrophobicContact CG-CB 4.19Å; F387-L391 HydrophobicContact CZ-CD1 4.03Å
388	P	83.4	Confident	93.5	Very high	107 Å²	107	31.5 Å²	31.5	70%	0.695	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.8	93	172.9	30.3	-33.6	0	0	0	109.9
389	G	85.9	Confident	93.3	Very high	54 Å²	54	31.7 Å²	31.7	56%	0.557	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	102.4	16.1	178.9	0	0	0	0	0	115.9	F387	F387-G389 PolarHBondContact O-N 2.97Å
390	K	92.2	Very high	93.1	Very high	62 Å²	62	31.8 Å²	31.8	27%	0.27	18%	0.184	S	C	.	.			trans	60.2	143.8	-172.1	-56.8	177.3	178.2	179.2	0	113.3	Y340 G383 F387 K392	Y340-K390 HydrophobicContact CD1-CB 3.81Å; Y340-K390 HydrophobicContact CD1-CD 4.39Å; Y340-K390 HydrophobicContact CE1-CB 3.61Å; Y340-K390 HydrophobicContact CE1-CD 4.01Å; Y340-K390 HydrophobicContact CE1-CG 4.37Å; Y340-K390 HydrophobicContact CE2-CD 4.44Å; G383-K390 CarbonylContact O-C 3.58Å; G383-K390 WeakPolarHBondContact O-CA 3.39Å; F387-K390 PolarHBondContact O-N 2.96Å; K390-K392 PolarHBondContact O-N 3.02Å
391	L	94.4	Very high	93.2	Very high	3 Å²	3	32 Å²	32	2%	0.016	19%	0.185	C	C	.	.			trans	-66.8	121.6	178.7	179.9	63.5	0	0	0	110.6	I319 W341 V356 L379 G383 F387	I319-L391 HydrophobicContact CD1-CD2 3.91Å; I319-L391 HydrophobicContact CD1-CG 4.38Å; I319-L391 HydrophobicContact CG1-CD1 4.43Å; I319-L391 HydrophobicContact CG1-CG 4.49Å; W341-L391 HydrophobicContact CB-CB 4.24Å; W341-L391 HydrophobicContact CB-CD2 3.88Å; W341-L391 HydrophobicContact CB-CG 3.86Å; W341-L391 HydrophobicContact CG-CD2 3.94Å; W341-L391 HydrophobicContact CG-CG 4.45Å; W341-L391 PolarHBondContact N-O 2.96Å; V356-L391 HydrophobicContact CG1-CD1 4.18Å; L379-L391 HydrophobicContact CD1-CD2 3.97Å; L379-L391 HydrophobicContact CD2-CD2 4.46Å; L379-L391 HydrophobicContact CG-CD2 4.01Å; G383-L391 PolarHBondContact O-N 3.06Å; F387-L391 HydrophobicContact CD1-CB 4.1Å; F387-L391 HydrophobicContact CD1-CD1 4.06Å; F387-L391 HydrophobicContact CE1-CB 4.4Å; F387-L391 HydrophobicContact CE1-CD1 3.61Å; F387-L391 HydrophobicContact CG-CB 4.19Å; F387-L391 HydrophobicContact CZ-CD1 4.03Å
392	K	95.1	Very high	93.2	Very high	41 Å²	41	29 Å²	29	18%	0.178	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	157.6	175.8	-63.1	-178.9	-171.8	161.7	0	111.8	W311 D317 G318 I319 L338 T339 Y340 K390 I450	W311-K392 HydrophobicContact CH2-CB 4.11Å; W311-K392 HydrophobicContact CZ2-CB 4.29Å; D317-K392 IonicContact OD1-NZ 3.43Å; D317-K392 VanDerWaalsContact OD2-CE 3.27Å; D317-K392 WeakPolarHBondContact OD2-CE 3.39Å; D317-K392 IonicContact OD2-NZ 2.77Å; D317-K392 PolarHBondContact OD2-NZ 3.47Å; G318-K392 VanDerWaalsContact CA-O 3.3Å; G318-K392 WeakPolarHBondContact CA-O 3.49Å; I319-K392 WeakPolarHBondContact CG1-O 3.4Å; I319-K392 PolarHBondContact N-O 2.9Å; L338-K392 HydrophobicContact CD1-CB 3.98Å; L338-K392 HydrophobicContact CD1-CD 4.19Å; L338-K392 HydrophobicContact CD2-CD 4.06Å; L338-K392 HydrophobicContact CG-CD 4.22Å; T339-K392 CarbonylContact O-C 3.47Å; T339-K392 VanDerWaalsContact O-CA 3.26Å; T339-K392 WeakPolarHBondContact O-CA 3.39Å; T339-K392 WeakPolarHBondContact O-CB 3.24Å; Y340-K392 HydrophobicContact CD1-CG 4.44Å; K390-K392 PolarHBondContact O-N 3.02Å; K392-I450 HydrophobicContact CD-CD1 4.21Å
393	A	95.7	Very high	93	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	129.6	171.7	0	0	0	0	0	110.5	I319 T339 W341 T395	I319-A393 HydrophobicContact CG1-CB 4.48Å; I319-A393 CarbonylContact O-C 3.52Å; I319-A393 WeakPolarHBondContact O-CA 3.48Å; T339-A393 HydrophobicContact CG2-CB 4.39Å; T339-A393 PolarHBondContact N-O 3.38Å; T339-A393 PolarHBondContact O-N 3.23Å; W341-A393 HydrophobicContact CB-CB 4.47Å; W341-A393 HydrophobicContact CE3-CB 4.19Å; A393-T395 HydrophobicContact CB-CG2 4.44Å
394	L	96.8	Very high	92.8	Very high	0 Å²	0	32 Å²	32	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	123	167.1	-172.8	81.5	0	0	0	108.5	I306 V310 W311 I319 I320 A321 V336 E337 L338 L446	I306-L394 HydrophobicContact CB-CD2 4.45Å; I306-L394 HydrophobicContact CD1-CD2 4.11Å; I306-L394 HydrophobicContact CG1-CD2 4.15Å; I306-L394 HydrophobicContact CG2-CD2 3.46Å; I306-L394 VanDerWaalsContact CG2-CD2 3.46Å; V310-L394 HydrophobicContact CG1-CD1 4.43Å; V310-L394 HydrophobicContact CG1-CD2 4.24Å; W311-L394 HydrophobicContact CB-CD2 4.39Å; W311-L394 HydrophobicContact CE3-CB 3.45Å; W311-L394 VanDerWaalsContact CE3-CB 3.45Å; W311-L394 HydrophobicContact CE3-CD2 4.11Å; W311-L394 HydrophobicContact CE3-CG 4.28Å; W311-L394 HydrophobicContact CH2-CB 4.36Å; W311-L394 HydrophobicContact CZ3-CB 3.36Å; I319-L394 PolarHBondContact O-N 2.82Å; I320-L394 CarbonylContact C-O 3.42Å; I320-L394 WeakPolarHBondContact CA-O 3.43Å; I320-L394 HydrophobicContact CG1-CB 4.45Å; I320-L394 HydrophobicContact CG1-CD2 4.46Å; A321-L394 PolarHBondContact N-O 2.8Å; V336-L394 HydrophobicContact CB-CD1 4.06Å; V336-L394 HydrophobicContact CB-CD2 4.3Å; V336-L394 HydrophobicContact CB-CG 4.13Å; V336-L394 HydrophobicContact CG2-CD1 3.92Å; V336-L394 HydrophobicContact CG2-CD2 4.22Å; V336-L394 HydrophobicContact CG2-CG 4.33Å; E337-L394 CarbonylContact O-C 3.13Å; E337-L394 WeakPolarHBondContact O-CA 3.27Å; L338-L394 HydrophobicContact CB-CD1 4.29Å; L338-L394 HydrophobicContact CD1-CB 4.46Å; L338-L394 HydrophobicContact CD1-CD1 4.4Å; L394-L446 HydrophobicContact CD1-CD1 3.49Å; L394-L446 VanDerWaalsContact CD1-CD1 3.49Å
395	T	95.5	Very high	92.2	Very high	15 Å²	15	30.2 Å²	30.2	9%	0.092	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	161.1	-172.5	64.1	0	0	0	0	111	A321 V336 E337 T339 A393 P397	A321-T395 HydrophobicContact CB-CG2 4.28Å; V336-T395 CarbonylContact C-O 3.48Å; V336-T395 VanDerWaalsContact CA-O 3.32Å; V336-T395 WeakPolarHBondContact CA-O 3.36Å; E337-T395 PolarHBondContact N-O 2.79Å; E337-T395 PolarHBondContact O-N 3.03Å; E337-T395 PolarHBondContact O-OG1 3.19Å; E337-T395 VanDerWaalsContact O-OG1 3.04Å; T339-T395 HydrophobicContact CG2-CG2 3.9Å; A393-T395 HydrophobicContact CB-CG2 4.44Å; T395-P397 VanDerWaalsContact C-CD 3.5Å; T395-P397 WeakPolarHBondContact O-CD 3.42Å
396	L	94.5	Very high	90.8	Very high	9 Å²	9	25.9 Å²	25.9	5%	0.047	15%	0.154	C	C	.	.			trans	-116.8	76.8	173.2	-63.4	104	0	0	0	110.7	V302 I306 A321 L322 V336 L398 S399	V302-L396 HydrophobicContact CG1-CD2 3.48Å; V302-L396 VanDerWaalsContact CG1-CD2 3.48Å; I306-L396 HydrophobicContact CD1-CD1 4.38Å; A321-L396 WeakPolarHBondContact O-CD1 3.41Å; L322-L396 HydrophobicContact CD2-CD1 3.99Å; V336-L396 HydrophobicContact CG1-CD2 4.1Å; V336-L396 HydrophobicContact CG1-CG 4.05Å; L396-L398 PolarHBondContact O-N 2.8Å; L396-S399 CarbonylContact O-C 3.6Å; L396-S399 PolarHBondContact O-N 2.96Å; L396-S399 VanDerWaalsContact O-N 3.13Å
397	P	90.9	Very high	89.2	Confident	39 Å²	39	26.4 Å²	26.4	25%	0.253	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	131.1	-176.1	-24.4	33.7	0	0	0	112.2	E337 T395 S399	E337-P397 HydrophobicContact CB-CG 3.85Å; T395-P397 VanDerWaalsContact C-CD 3.5Å; T395-P397 WeakPolarHBondContact O-CD 3.42Å; P397-S399 PolarHBondContact O-N 3.37Å; P397-S399 PolarHBondContact O-OG 2.9Å
398	L	89.4	Confident	87.3	Confident	65 Å²	65	26 Å²	26	34%	0.34	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.1	17.5	178.4	-49	177.5	0	0	0	115.2	D326 N329 N330 Y331 L396	D326-L398 HydrophobicContact CB-CD2 4.17Å; N329-L398 CarbonylContact C-O 3.5Å; N329-L398 VanDerWaalsContact CA-O 3.3Å; N329-L398 WeakPolarHBondContact CA-O 3.42Å; N329-L398 WeakPolarHBondContact OD1-CA 3.31Å; N329-L398 PolarHBondContact OD1-O 3.37Å; N330-L398 PolarHBondContact N-O 2.92Å; Y331-L398 PolarHBondContact N-O 3.33Å; Y331-L398 VanDerWaalsContact N-O 3.15Å; L396-L398 PolarHBondContact O-N 2.8Å
399	S	92.7	Very high	86	Confident	4 Å²	4	31.8 Å²	31.8	3%	0.028	16%	0.159	C	C	.	.			trans	-139.7	44.3	-177.4	-47.9	0	0	0	0	110.1	N329 L396 P397 R401	N329-S399 PolarHBondContact OD1-N 2.88Å; L396-S399 CarbonylContact O-C 3.6Å; L396-S399 PolarHBondContact O-N 2.96Å; L396-S399 VanDerWaalsContact O-N 3.13Å; P397-S399 PolarHBondContact O-N 3.37Å; P397-S399 PolarHBondContact O-OG 2.9Å; S399-R401 WeakPolarHBondContact O-CD 3.32Å; S399-R401 PolarHBondContact O-NH1 3.33Å
400	T	93.5	Very high	84.6	Confident	1 Å²	1	29.9 Å²	29.9	1%	0.006	14%	0.139	C	C	.	.			trans	-57.6	137.8	-176.6	-167.8	0	0	0	0	111.8	G323 S324 N329 Y331 V402 F403	G323-T400 VanDerWaalsContact CA-OG1 3.29Å; G323-T400 WeakPolarHBondContact CA-OG1 3.36Å; S324-T400 PolarHBondContact N-OG1 2.79Å; S324-T400 VanDerWaalsContact N-OG1 3.07Å; N329-T400 HydrophobicContact CB-CG2 4.48Å; N329-T400 VanDerWaalsContact CG-CG2 3.45Å; N329-T400 VanDerWaalsContact ND2-CG2 3.32Å; N329-T400 WeakPolarHBondContact ND2-CG2 3.2Å; N329-T400 WeakPolarHBondContact OD1-CB 3.46Å; N329-T400 WeakPolarHBondContact OD1-CG2 2.85Å; N329-T400 PolarHBondContact OD1-N 2.8Å; Y331-T400 WeakPolarHBondContact CE1-O 3.25Å; Y331-T400 PolarHBondContact OH-O 3.1Å; T400-V402 PolarHBondContact OG1-N 2.7Å; T400-V402 PolarHBondContact OG1-O 3.12Å; T400-F403 HydrophobicContact CG2-CD1 3.83Å; T400-F403 HydrophobicContact CG2-CD2 4.15Å; T400-F403 HydrophobicContact CG2-CE1 3.31Å; T400-F403 HydrophobicContact CG2-CE2 3.67Å; T400-F403 HydrophobicContact CG2-CG 4.23Å; T400-F403 HydrophobicContact CG2-CZ 3.23Å
401	R	95.9	Very high	82.8	Confident	8 Å²	8	32.7 Å²	32.7	3%	0.03	16%	0.156	C	C	.	.	S	Bend	trans	-105.9	-8.3	173.7	-92	58	-173.4	-159.7	-0.5	112.3	V295 V296 D298 I299 L322 S399	V295-R401 WeakPolarHBondContact CA-O 3.4Å; V296-R401 HydrophobicContact CB-CB 4.48Å; V296-R401 HydrophobicContact CB-CG 4.24Å; V296-R401 PolarHBondContact N-O 3.15Å; D298-R401 WeakPolarHBondContact OD1-CG 3.41Å; D298-R401 IonicContact OD1-CZ 3.6Å; D298-R401 IonicContact OD1-NE 3.52Å; D298-R401 PolarHBondContact OD1-NE 2.85Å; D298-R401 IonicContact OD1-NH2 3.81Å; D298-R401 IonicContact OD2-CZ 2.82Å; D298-R401 IonicContact OD2-NE 3.77Å; D298-R401 IonicContact OD2-NH2 3.97Å; D298-R401 PolarHBondContact OD2-NH2 3.46Å; I299-R401 HydrophobicContact CB-CB 4.15Å; I299-R401 HydrophobicContact CB-CG 4.27Å; I299-R401 HydrophobicContact CD1-CB 4.39Å; I299-R401 HydrophobicContact CG1-CB 4.01Å; L322-R401 HydrophobicContact CB-CB 4.44Å; L322-R401 WeakPolarHBondContact O-CA 3.35Å; L322-R401 PolarHBondContact O-N 3.13Å; S399-R401 WeakPolarHBondContact O-CD 3.32Å; S399-R401 PolarHBondContact O-NH1 3.33Å
402	V	95.9	Very high	80.9	Confident	0 Å²	0	38 Å²	38	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	121.7	176.4	-176.4	0	0	0	0	109.1	L289 H293 F294 V295 I299 L322 G323 T400	L289-V402 HydrophobicContact CD2-CG1 3.97Å; L289-V402 HydrophobicContact CD2-CG2 3.93Å; H293-V402 HydrophobicContact CB-CG1 3.77Å; F294-V402 WeakPolarHBondContact O-CA 3.25Å; V295-V402 HydrophobicContact CG1-CG2 4.35Å; I299-V402 HydrophobicContact CD1-CG2 3.57Å; L322-V402 HydrophobicContact CB-CG2 4.03Å; L322-V402 PolarHBondContact O-N 2.58Å; G323-V402 WeakPolarHBondContact CA-O 3.32Å; T400-V402 PolarHBondContact OG1-N 2.7Å; T400-V402 PolarHBondContact OG1-O 3.12Å
403	F	92.8	Very high	78.7	Confident	24 Å²	24	40.4 Å²	40.4	11%	0.105	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	149.1	172.6	-65.2	-91.7	0	0	0	109.6	H293 F294 V296 Y331 T400 I427 M430 F431	H293-F403 CarbonylContact C-O 3.56Å; H293-F403 VanDerWaalsContact CA-O 3.29Å; H293-F403 WeakPolarHBondContact CA-O 3.47Å; F294-F403 HydrophobicContact CB-CB 4.39Å; F294-F403 PolarHBondContact N-O 3.39Å; F294-F403 PolarHBondContact O-N 2.76Å; V296-F403 HydrophobicContact CG2-CD2 4.08Å; V296-F403 HydrophobicContact CG2-CE2 3.55Å; Y331-F403 WeakPolarHBondContact OH-CZ 3.11Å; T400-F403 HydrophobicContact CG2-CD1 3.83Å; T400-F403 HydrophobicContact CG2-CD2 4.15Å; T400-F403 HydrophobicContact CG2-CE1 3.31Å; T400-F403 HydrophobicContact CG2-CE2 3.67Å; T400-F403 HydrophobicContact CG2-CG 4.23Å; T400-F403 HydrophobicContact CG2-CZ 3.23Å; F403-I427 HydrophobicContact CB-CD1 3.62Å; F403-I427 HydrophobicContact CD1-CD1 4.16Å; F403-I427 HydrophobicContact CD1-CG1 4.22Å; F403-I427 HydrophobicContact CD2-CD1 4.08Å; F403-I427 HydrophobicContact CD2-CG1 4.29Å; F403-I427 HydrophobicContact CD2-CG2 4.01Å; F403-I427 HydrophobicContact CE1-CG1 4.48Å; F403-I427 HydrophobicContact CE2-CG2 3.93Å; F403-I427 HydrophobicContact CG-CD1 3.71Å; F403-I427 HydrophobicContact CG-CG1 4.11Å; F403-M430 HydrophobicContact CZ-SD 4.37Å; F403-F431 HydrophobicContact CE2-CE2 4.1Å; F403-F431 HydrophobicContact CE2-CZ 4.37Å
404	H	89.9	Confident	76.4	Confident	40 Å²	40	49.5 Å²	49.5	19%	0.185	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	108.2	170.5	173.1	-102.1	0	0	0	109.3	D292 M348 G406 L423	D292-H404 CarbonylContact O-C 3.32Å; D292-H404 IonicContact OD1-CD2 3.67Å; D292-H404 IonicContact OD2-CD2 2.89Å; D292-H404 PolarHBondContact OD2-CD2 3.16Å; D292-H404 IonicContact OD2-NE2 3.73Å; D292-H404 PolarHBondContact OD2-NE2 2.7Å; M348-H404 HydrophobicContact SD-CB 3.51Å; M348-H404 VanDerWaalsContact SD-CB 3.51Å; H404-G406 VanDerWaalsContact C-N 3.31Å; H404-G406 PolarHBondContact CE1-O 2.87Å; H404-L423 WeakPolarHBondContact O-CD2 3.46Å
405	S	81	Confident	74.1	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	26%	0.259	C	S	.	.			trans	-78	-16.1	175.5	56.7	0	0	0	0	113.4	D292 E407	D292-S405 WeakPolarHBondContact O-CA 3.44Å; D292-S405 PolarHBondContact O-N 2.93Å; D292-S405 PolarHBondContact O-OG 2.98Å; S405-E407 PolarHBondContact O-N 3.35Å
406	G	63.8	Low	71.8	Confident	0 Å²	0	61.6 Å²	61.6	0%	0	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.7	30.8	-174.8	0	0	0	0	0	116.4	D292 H404 C408	D292-G406 PolarHBondContact O-N 2.82Å; H404-G406 VanDerWaalsContact C-N 3.31Å; H404-G406 PolarHBondContact CE1-O 2.87Å; G406-C408 PolarHBondContact O-N 2.81Å; G406-C408 VanDerWaalsContact O-N 3.12Å
407	E	61.4	Low	69.8	Low	65 Å²	65	66.2 Å²	66.2	30%	0.304	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-15.6	174	-71	-157.5	-172.9	0	0	112.5	S405 H413 K415 C418 L423	S405-E407 PolarHBondContact O-N 3.35Å; E407-H413 WeakPolarHBondContact O-CB 3.46Å; E407-K415 IonicContact OE2-NZ 3.67Å; E407-K415 PolarHBondContact OE2-NZ 2.84Å; E407-C418 PolarHBondContact O-SG 3.04Å; E407-C418 VanDerWaalsContact O-SG 3.35Å; E407-L423 HydrophobicContact CG-CD2 4.35Å
408	C	52.9	Low	68.4	Low	10 Å²	10	66.7 Å²	66.7	7%	0.068	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	125.9	-176.7	-37.6	0	0	0	0	109.4	G406 G410 C418 S419 T420	G406-C408 PolarHBondContact O-N 2.81Å; G406-C408 VanDerWaalsContact O-N 3.12Å; C408-G410 PolarHBondContact O-N 2.9Å; C408-G410 VanDerWaalsContact O-N 3.13Å; C408-C418 WeakPolarHBondContact CA-SG 3.48Å; C408-C418 HydrophobicContact CB-CB 3.49Å; C408-C418 VanDerWaalsContact CB-CB 3.49Å; C408-C418 WeakPolarHBondContact CB-SG 3.4Å; C408-C418 PolarHBondContact N-SG 3.39Å; C408-C418 WeakPolarHBondContact SG-CA 3.4Å; C408-C418 WeakPolarHBondContact SG-CB 3Å; C408-C418 CovalentContact SG-SG 2Å; C408-C418 PolarHBondContact SG-SG 3.35Å; C408-S419 PolarHBondContact SG-N 2.88Å; C408-T420 PolarHBondContact SG-N 3.12Å
409	R	56.1	Low	67.5	Low	228 Å²	228	66 Å²	66	86%	0.86	34%	0.337	S	S	*	.	E	Extended strand (participates in β ladder)	trans	62	16	174.8	-55.2	179.8	175.2	178.3	-1.7	115.8
410	G	56.9	Low	66.7	Low	14 Å²	14	66.1 Å²	66.1	14%	0.144	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	160.8	168.5	0	0	0	0	0	112.1	C408 H412 H413	C408-G410 PolarHBondContact O-N 2.9Å; C408-G410 VanDerWaalsContact O-N 3.13Å; G410-H412 PolarHBondContact O-N 2.82Å; G410-H413 PolarHBondContact O-N 2.96Å
411	L	53.7	Low	65.8	Low	120 Å²	120	70.3 Å²	70.3	63%	0.628	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.4	-23.2	-178.4	-71.5	163.6	0	0	0	114.1	I261	I261-L411 HydrophobicContact CD1-CD1 3.34Å
412	H	53.9	Low	64.9	Low	116 Å²	116	75 Å²	75	54%	0.537	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.1	0.4	-175.9	-60.2	-56.1	0	0	0	115.4	G410	G410-H412 PolarHBondContact O-N 2.82Å
413	H	48.8	Very low	64.1	Low	90 Å²	90	77 Å²	77	42%	0.417	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	107.1	-176.4	-64.9	102.2	0	0	0	112.6	E407 G410	E407-H413 WeakPolarHBondContact O-CB 3.46Å; G410-H413 PolarHBondContact O-N 2.96Å
414	Q	47.7	Very low	63.6	Low	192 Å²	192	76.4 Å²	76.4	90%	0.897	39%	0.391	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.9	62.4	172.1	-65.3	-177	3.2	0	0	110.7
415	K	47.9	Very low	63.4	Low	113 Å²	113	77.4 Å²	77.4	49%	0.491	40%	0.4	S	S	.	.			trans	-72.9	132.8	169	-73.3	-177	-172.4	166.2	0	109.6	E407 S417 C418	E407-K415 IonicContact OE2-NZ 3.67Å; E407-K415 PolarHBondContact OE2-NZ 2.84Å; K415-S417 VanDerWaalsContact C-N 3.31Å; K415-S417 PolarHBondContact O-N 3.41Å; K415-C418 HydrophobicContact CB-CB 4.27Å
416	T	47.9	Very low	63.6	Low	156 Å²	156	81 Å²	81	96%	0.957	42%	0.419	S	S	*	.	S	Bend	trans	-69.2	-21.2	-176.1	40.9	0	0	0	0	114.7
417	S	53.5	Low	64.6	Low	106 Å²	106	81.2 Å²	81.2	74%	0.741	42%	0.42	S	S	*	.	S	Bend	trans	-128.2	94.7	171.9	66	0	0	0	0	109.3	K415	K415-S417 VanDerWaalsContact C-N 3.31Å; K415-S417 PolarHBondContact O-N 3.41Å
418	C	61.7	Low	65.8	Low	48 Å²	48	80.5 Å²	80.5	32%	0.324	42%	0.418	S	S	.	.			trans	-138.2	125.9	-178.4	-164.4	0	0	0	0	109.1	E407 C408 K415	E407-C418 PolarHBondContact O-SG 3.04Å; E407-C418 VanDerWaalsContact O-SG 3.35Å; C408-C418 WeakPolarHBondContact CA-SG 3.48Å; C408-C418 HydrophobicContact CB-CB 3.49Å; C408-C418 VanDerWaalsContact CB-CB 3.49Å; C408-C418 WeakPolarHBondContact CB-SG 3.4Å; C408-C418 PolarHBondContact N-SG 3.39Å; C408-C418 WeakPolarHBondContact SG-CA 3.4Å; C408-C418 WeakPolarHBondContact SG-CB 3Å; C408-C418 CovalentContact SG-SG 2Å; C408-C418 PolarHBondContact SG-SG 3.35Å; K415-C418 HydrophobicContact CB-CB 4.27Å
419	S	70	Confident	67.4	Low	50 Å²	50	85.9 Å²	85.9	35%	0.35	44%	0.442	S	S	.	.			trans	-126.3	114.9	173.1	162.7	0	0	0	0	108.2	C408 E421 L422 L423	C408-S419 PolarHBondContact SG-N 2.88Å; S419-E421 PolarHBondContact O-N 3.2Å; S419-E421 PolarHBondContact OG-N 3.01Å; S419-E421 PolarHBondContact OG-OE2 2.94Å; S419-L422 PolarHBondContact O-N 2.99Å; S419-L422 PolarHBondContact OG-N 2.78Å; S419-L422 VanDerWaalsContact OG-N 3.11Å; S419-L423 PolarHBondContact O-N 2.81Å
420	T	74.5	Confident	68.7	Low	7 Å²	7	77.8 Å²	77.8	4%	0.043	42%	0.415	C	S	.	.	H	α-helix	trans	-57.1	-36.1	174.6	-49.4	0	0	0	0	109.9	E161 L164 C408 L423 V424	E161-T420 HydrophobicContact CG-CG2 4.09Å; E161-T420 PolarHBondContact OE1-OG1 2.81Å; L164-T420 HydrophobicContact CD1-CG2 3.39Å; C408-T420 PolarHBondContact SG-N 3.12Å; T420-L423 PolarHBondContact O-N 3.23Å; T420-V424 PolarHBondContact O-N 3.07Å
421	E	75	Confident	70.1	Confident	90 Å²	90	78.2 Å²	78.2	42%	0.421	41%	0.413	S	S	.	.	H	α-helix	trans	-66.7	-38.7	178.3	-53.9	79.4	-174.1	0	0	112.7	S419 L423 V424 T425	S419-E421 PolarHBondContact O-N 3.2Å; S419-E421 PolarHBondContact OG-N 3.01Å; S419-E421 PolarHBondContact OG-OE2 2.94Å; E421-L423 VanDerWaalsContact C-N 3.33Å; E421-V424 PolarHBondContact O-N 3.26Å; E421-T425 WeakPolarHBondContact O-CB 3.38Å; E421-T425 PolarHBondContact O-N 3.27Å; E421-T425 PolarHBondContact O-OG1 2.03Å
422	L	78.3	Confident	71.5	Confident	106 Å²	106	77 Å²	77	56%	0.555	42%	0.415	S	S	*	.	H	α-helix	trans	-64.5	-41.5	176.5	-175.4	67.4	0	0	0	110.7	S419 T425 N426	S419-L422 PolarHBondContact O-N 2.99Å; S419-L422 PolarHBondContact OG-N 2.78Å; S419-L422 VanDerWaalsContact OG-N 3.11Å; L422-T425 PolarHBondContact O-N 2.97Å; L422-N426 WeakPolarHBondContact O-CB 3.05Å; L422-N426 PolarHBondContact O-N 2.86Å; L422-N426 PolarHBondContact O-ND2 2.97Å; L422-N426 PolarHBondContact O-OD1 2.98Å
423	L	79.3	Confident	72.8	Confident	43 Å²	43	73 Å²	73	23%	0.225	41%	0.405	C	S	.	.	H	α-helix	trans	-63.5	-46.2	177.1	-179.9	55.6	0	0	0	111.3	H404 E407 S419 T420 E421 T425 N426 I427	H404-L423 WeakPolarHBondContact O-CD2 3.46Å; E407-L423 HydrophobicContact CG-CD2 4.35Å; S419-L423 PolarHBondContact O-N 2.81Å; T420-L423 PolarHBondContact O-N 3.23Å; E421-L423 VanDerWaalsContact C-N 3.33Å; L423-T425 VanDerWaalsContact C-N 3.32Å; L423-T425 PolarHBondContact O-N 3.36Å; L423-N426 WeakPolarHBondContact O-CB 3.49Å; L423-N426 PolarHBondContact O-N 3.18Å; L423-I427 HydrophobicContact CD1-CD1 4.33Å; L423-I427 HydrophobicContact CG-CD1 4.19Å; L423-I427 VanDerWaalsContact O-CG1 3.32Å; L423-I427 WeakPolarHBondContact O-CG1 3Å; L423-I427 PolarHBondContact O-N 2.68Å
424	V	81.9	Confident	74.5	Confident	10 Å²	10	73.5 Å²	73.5	6%	0.061	42%	0.416	C	S	.	.	H	α-helix	trans	-61.4	-41.4	174.4	169.9	0	0	0	0	111.6	L164 F294 T420 E421 N426 I427 L428	L164-V424 HydrophobicContact CB-CG2 4.21Å; L164-V424 HydrophobicContact CD1-CG2 3.93Å; L164-V424 HydrophobicContact CD2-CB 4.47Å; L164-V424 HydrophobicContact CD2-CG1 4.3Å; L164-V424 HydrophobicContact CD2-CG2 4.17Å; L164-V424 HydrophobicContact CG-CG2 4.33Å; F294-V424 HydrophobicContact CD2-CB 4.45Å; F294-V424 HydrophobicContact CD2-CG1 4.07Å; F294-V424 HydrophobicContact CD2-CG2 3.68Å; F294-V424 HydrophobicContact CE2-CB 4.34Å; F294-V424 HydrophobicContact CE2-CG1 3.5Å; F294-V424 HydrophobicContact CE2-CG2 4.03Å; F294-V424 HydrophobicContact CG-CG2 4.48Å; F294-V424 HydrophobicContact CZ-CG1 4.2Å; T420-V424 PolarHBondContact O-N 3.07Å; E421-V424 PolarHBondContact O-N 3.26Å; V424-N426 VanDerWaalsContact C-N 3.32Å; V424-N426 PolarHBondContact O-N 3.45Å; V424-I427 PolarHBondContact O-N 3.27Å; V424-L428 HydrophobicContact CG1-CD1 4.01Å; V424-L428 HydrophobicContact CG1-CG 4.26Å; V424-L428 WeakPolarHBondContact O-CG 3.41Å; V424-L428 PolarHBondContact O-N 2.92Å
425	T	85.4	Confident	76.2	Confident	61 Å²	61	65.8 Å²	65.8	37%	0.374	38%	0.38	S	S	.	.	H	α-helix	trans	-60.3	-43.5	176	-59.3	0	0	0	0	111.1	E421 L422 L423 L428 Q429	E421-T425 WeakPolarHBondContact O-CB 3.38Å; E421-T425 PolarHBondContact O-N 3.27Å; E421-T425 PolarHBondContact O-OG1 2.03Å; L422-T425 PolarHBondContact O-N 2.97Å; L423-T425 VanDerWaalsContact C-N 3.32Å; L423-T425 PolarHBondContact O-N 3.36Å; T425-L428 PolarHBondContact O-N 3.49Å; T425-Q429 HydrophobicContact CG2-CG 4.41Å; T425-Q429 WeakPolarHBondContact O-CB 3.41Å; T425-Q429 VanDerWaalsContact O-CG 3.24Å; T425-Q429 WeakPolarHBondContact O-CG 3.34Å; T425-Q429 PolarHBondContact O-N 3.45Å
426	N	84.5	Confident	78	Confident	76 Å²	76	62.7 Å²	62.7	41%	0.406	37%	0.369	S	S	.	.	H	α-helix	trans	-63.3	-41.3	176.6	-68	-20	0	0	0	111.9	L422 L423 V424 Q429 M430	L422-N426 WeakPolarHBondContact O-CB 3.05Å; L422-N426 PolarHBondContact O-N 2.86Å; L422-N426 PolarHBondContact O-ND2 2.97Å; L422-N426 PolarHBondContact O-OD1 2.98Å; L423-N426 WeakPolarHBondContact O-CB 3.49Å; L423-N426 PolarHBondContact O-N 3.18Å; V424-N426 VanDerWaalsContact C-N 3.32Å; V424-N426 PolarHBondContact O-N 3.45Å; N426-Q429 PolarHBondContact O-N 3.25Å; N426-M430 WeakPolarHBondContact O-CB 3.48Å; N426-M430 PolarHBondContact O-N 3.25Å
427	I	84.9	Confident	79.8	Confident	4 Å²	4	61 Å²	61	2%	0.021	36%	0.359	C	S	.	.	H	α-helix	trans	-63.2	-46.9	175.9	-65.5	162.6	0	0	0	110.3	F294 F403 L423 V424 Q429 M430 F431	F294-I427 HydrophobicContact CB-CD1 4.36Å; F294-I427 HydrophobicContact CD1-CD1 4.16Å; F294-I427 HydrophobicContact CD1-CG2 3.76Å; F294-I427 HydrophobicContact CE1-CB 4.42Å; F294-I427 HydrophobicContact CE1-CG2 3.56Å; F294-I427 HydrophobicContact CG-CD1 4.27Å; F294-I427 HydrophobicContact CZ-CG2 4.44Å; F403-I427 HydrophobicContact CB-CD1 3.62Å; F403-I427 HydrophobicContact CD1-CD1 4.16Å; F403-I427 HydrophobicContact CD1-CG1 4.22Å; F403-I427 HydrophobicContact CD2-CD1 4.08Å; F403-I427 HydrophobicContact CD2-CG1 4.29Å; F403-I427 HydrophobicContact CD2-CG2 4.01Å; F403-I427 HydrophobicContact CE1-CG1 4.48Å; F403-I427 HydrophobicContact CE2-CG2 3.93Å; F403-I427 HydrophobicContact CG-CD1 3.71Å; F403-I427 HydrophobicContact CG-CG1 4.11Å; L423-I427 HydrophobicContact CD1-CD1 4.33Å; L423-I427 HydrophobicContact CG-CD1 4.19Å; L423-I427 VanDerWaalsContact O-CG1 3.32Å; L423-I427 WeakPolarHBondContact O-CG1 3Å; L423-I427 PolarHBondContact O-N 2.68Å; V424-I427 PolarHBondContact O-N 3.27Å; I427-Q429 VanDerWaalsContact C-N 3.33Å; I427-Q429 PolarHBondContact O-N 3.46Å; I427-M430 VanDerWaalsContact O-CB 3.31Å; I427-M430 WeakPolarHBondContact O-CB 3.45Å; I427-M430 PolarHBondContact O-N 2.98Å; I427-F431 HydrophobicContact CG2-CD2 4.15Å; I427-F431 HydrophobicContact CG2-CE2 3.92Å; I427-F431 WeakPolarHBondContact O-CD2 3.44Å; I427-F431 PolarHBondContact O-N 3.09Å
428	L	86.5	Confident	81.5	Confident	51 Å²	51	60.2 Å²	60.2	27%	0.267	34%	0.339	S	S	.	.	H	α-helix	trans	-63.6	-38.2	177.9	-69.3	179.1	0	0	0	112.4	F294 V424 T425 F431 S432	F294-L428 HydrophobicContact CZ-CD2 3.89Å; F294-L428 HydrophobicContact CZ-CG 4.32Å; V424-L428 HydrophobicContact CG1-CD1 4.01Å; V424-L428 HydrophobicContact CG1-CG 4.26Å; V424-L428 WeakPolarHBondContact O-CG 3.41Å; V424-L428 PolarHBondContact O-N 2.92Å; T425-L428 PolarHBondContact O-N 3.49Å; L428-F431 CarbonylContact O-C 3.57Å; L428-F431 PolarHBondContact O-N 3.29Å; L428-S432 PolarHBondContact O-N 3.04Å; L428-S432 VanDerWaalsContact O-N 3.17Å; L428-S432 PolarHBondContact O-OG 3.2Å
429	Q	86.7	Confident	83	Confident	122 Å²	122	58.5 Å²	58.5	57%	0.57	33%	0.327	S	S	*	.	H	α-helix	trans	-65.8	-39.1	174.8	-76.1	176.1	-0.2	0	0	111.9	T425 N426 I427 F431 S432	T425-Q429 HydrophobicContact CG2-CG 4.41Å; T425-Q429 WeakPolarHBondContact O-CB 3.41Å; T425-Q429 VanDerWaalsContact O-CG 3.24Å; T425-Q429 WeakPolarHBondContact O-CG 3.34Å; T425-Q429 PolarHBondContact O-N 3.45Å; N426-Q429 PolarHBondContact O-N 3.25Å; I427-Q429 VanDerWaalsContact C-N 3.33Å; I427-Q429 PolarHBondContact O-N 3.46Å; Q429-F431 PolarHBondContact O-N 3.2Å; Q429-S432 WeakPolarHBondContact O-CB 3.37Å; Q429-S432 PolarHBondContact O-N 2.83Å
430	M	84.8	Confident	84.2	Confident	59 Å²	59	58.8 Å²	58.8	29%	0.291	32%	0.321	S	S	.	.	H	α-helix	trans	-54.4	-41	174.9	-174.9	-177.1	-64.6	0	0	111.2	Y331 F403 N426 I427 L435	Y331-M430 HydrophobicContact CE2-SD 4.18Å; F403-M430 HydrophobicContact CZ-SD 4.37Å; N426-M430 WeakPolarHBondContact O-CB 3.48Å; N426-M430 PolarHBondContact O-N 3.25Å; I427-M430 VanDerWaalsContact O-CB 3.31Å; I427-M430 WeakPolarHBondContact O-CB 3.45Å; I427-M430 PolarHBondContact O-N 2.98Å; M430-L435 HydrophobicContact CG-CD1 3.37Å; M430-L435 HydrophobicContact SD-CD1 4.24Å
431	F	85.6	Confident	85.2	Confident	23 Å²	23	58.9 Å²	58.9	10%	0.101	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.3	8.7	177.7	-61.8	-65.6	0	0	0	115.1	V296 Y331 F403 I427 L428 Q429 G433 L435 L436 L439	V296-F431 HydrophobicContact CB-CE2 4.47Å; V296-F431 HydrophobicContact CB-CZ 4.32Å; V296-F431 HydrophobicContact CG1-CE1 4.04Å; V296-F431 HydrophobicContact CG1-CE2 4.01Å; V296-F431 HydrophobicContact CG1-CZ 3.63Å; V296-F431 HydrophobicContact CG2-CE2 3.71Å; V296-F431 HydrophobicContact CG2-CZ 3.64Å; Y331-F431 HydrophobicContact CD2-CE1 4.31Å; Y331-F431 HydrophobicContact CE1-CE1 4.19Å; Y331-F431 HydrophobicContact CE1-CZ 4.2Å; Y331-F431 AromaticContact CE2-CE1 3.78Å; Y331-F431 HydrophobicContact CE2-CE1 3.78Å; Y331-F431 AromaticContact CE2-CZ 3.85Å; Y331-F431 HydrophobicContact CE2-CZ 3.85Å; Y331-F431 AromaticContact CZ-CE1 3.75Å; Y331-F431 AromaticContact CZ-CZ 3.54Å; Y331-F431 WeakPolarHBondContact OH-CZ 3.06Å; F403-F431 HydrophobicContact CE2-CE2 4.1Å; F403-F431 HydrophobicContact CE2-CZ 4.37Å; I427-F431 HydrophobicContact CG2-CD2 4.15Å; I427-F431 HydrophobicContact CG2-CE2 3.92Å; I427-F431 WeakPolarHBondContact O-CD2 3.44Å; I427-F431 PolarHBondContact O-N 3.09Å; L428-F431 CarbonylContact O-C 3.57Å; L428-F431 PolarHBondContact O-N 3.29Å; Q429-F431 PolarHBondContact O-N 3.2Å; F431-G433 VanDerWaalsContact C-N 3.33Å; F431-L435 HydrophobicContact CD1-CB 4.47Å; F431-L436 WeakPolarHBondContact O-CB 3.27Å; F431-L439 HydrophobicContact CD1-CD1 3.86Å; F431-L439 HydrophobicContact CD1-CD2 4.11Å; F431-L439 HydrophobicContact CD1-CG 4.12Å; F431-L439 HydrophobicContact CE1-CD1 4.15Å; F431-L439 HydrophobicContact CE1-CD2 3.65Å; F431-L439 HydrophobicContact CE1-CG 4.18Å; F431-L439 HydrophobicContact CG-CD1 4.47Å; F431-L439 HydrophobicContact CZ-CD2 4.47Å
432	S	83.8	Confident	86.1	Confident	95 Å²	95	60.7 Å²	60.7	66%	0.664	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89	-3.7	173.3	-61.6	0	0	0	0	112.9	L428 Q429	L428-S432 PolarHBondContact O-N 3.04Å; L428-S432 VanDerWaalsContact O-N 3.17Å; L428-S432 PolarHBondContact O-OG 3.2Å; Q429-S432 WeakPolarHBondContact O-CB 3.37Å; Q429-S432 PolarHBondContact O-N 2.83Å
433	G	81.1	Confident	87	Confident	31 Å²	31	57.8 Å²	57.8	32%	0.32	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.6	-151.4	-174.3	0	0	0	0	0	114.3	F431 L435 L436	F431-G433 VanDerWaalsContact C-N 3.33Å; G433-L435 PolarHBondContact O-N 2.76Å; G433-L436 WeakPolarHBondContact O-CB 3.38Å; G433-L436 PolarHBondContact O-N 3.25Å
434	P	83.4	Confident	87.8	Confident	100 Å²	100	56.6 Å²	56.6	65%	0.649	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-17.2	-177.8	-24.2	33.9	0	0	0	115.2	L436 T437	P434-L436 VanDerWaalsContact C-N 3.3Å; P434-T437 PolarHBondContact O-OG1 3.45Å
435	L	84.5	Confident	88.4	Confident	30 Å²	30	61.5 Å²	61.5	16%	0.157	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-26.3	176	-64.6	179.2	0	0	0	112.3	N330 Y331 M430 F431 G433 T437 R438 L439	N330-L435 WeakPolarHBondContact O-CD2 3.34Å; Y331-L435 HydrophobicContact CD2-CD1 4.35Å; Y331-L435 HydrophobicContact CD2-CD2 4.27Å; M430-L435 HydrophobicContact CG-CD1 3.37Å; M430-L435 HydrophobicContact SD-CD1 4.24Å; F431-L435 HydrophobicContact CD1-CB 4.47Å; G433-L435 PolarHBondContact O-N 2.76Å; L435-T437 PolarHBondContact O-N 3.42Å; L435-R438 VanDerWaalsContact CD2-NH1 3.32Å; L435-R438 WeakPolarHBondContact O-CB 3.42Å; L435-R438 PolarHBondContact O-N 2.78Å; L435-L439 PolarHBondContact O-N 3.34Å
436	L	84.2	Confident	88.8	Confident	48 Å²	48	62.3 Å²	62.3	25%	0.251	35%	0.345	S	S	.	.	G	3₁₀ helix	trans	-57.7	-38.2	176.1	-170.9	60	0	0	0	111.4	F431 G433 P434 R438 L439	F431-L436 WeakPolarHBondContact O-CB 3.27Å; G433-L436 WeakPolarHBondContact O-CB 3.38Å; G433-L436 PolarHBondContact O-N 3.25Å; P434-L436 VanDerWaalsContact C-N 3.3Å; L436-R438 PolarHBondContact O-N 2.82Å; L436-L439 HydrophobicContact CD1-CD1 4.09Å; L436-L439 WeakPolarHBondContact O-CB 3.47Å; L436-L439 PolarHBondContact O-N 2.71Å
437	T	85.6	Confident	89.3	Confident	121 Å²	121	60.5 Å²	60.5	74%	0.742	34%	0.338	S	S	*	.	G	3₁₀ helix	trans	-73	-5.1	179.2	71.3	0	0	0	0	113.2	P434 L435	P434-T437 PolarHBondContact O-OG1 3.45Å; L435-T437 PolarHBondContact O-N 3.42Å
438	R	90.6	Very high	89.3	Confident	89 Å²	89	67 Å²	67	34%	0.336	37%	0.368	S	S	.	.	G	3₁₀ helix	trans	-101.1	-8.7	175.9	-56.1	-174.6	-175.8	159	-0.7	112.8	N330 Y331 L332 L435 L436	N330-R438 PolarHBondContact O-NH1 3.47Å; Y331-R438 VanDerWaalsContact O-CD 3.28Å; Y331-R438 WeakPolarHBondContact O-CD 3.05Å; L332-R438 VanDerWaalsContact CD2-NH2 3.31Å; L332-R438 VanDerWaalsContact CG-NH1 3.34Å; L435-R438 VanDerWaalsContact CD2-NH1 3.32Å; L435-R438 WeakPolarHBondContact O-CB 3.42Å; L435-R438 PolarHBondContact O-N 2.78Å; L436-R438 PolarHBondContact O-N 2.82Å
439	L	93	Very high	89	Confident	12 Å²	12	69 Å²	69	6%	0.063	38%	0.375	C	S	.	.	S	Bend	trans	-70.4	160.8	168.3	-61.9	-169.7	0	0	0	110.4	V296 D298 Y331 F431 L435 L436	V296-L439 HydrophobicContact CG1-CD1 3.88Å; V296-L439 HydrophobicContact CG1-CD2 3.74Å; D298-L439 HydrophobicContact CB-CB 4.23Å; D298-L439 WeakPolarHBondContact OD2-CA 3.45Å; Y331-L439 HydrophobicContact CD1-CD2 4.24Å; Y331-L439 HydrophobicContact CE1-CD2 4.36Å; F431-L439 HydrophobicContact CD1-CD1 3.86Å; F431-L439 HydrophobicContact CD1-CD2 4.11Å; F431-L439 HydrophobicContact CD1-CG 4.12Å; F431-L439 HydrophobicContact CE1-CD1 4.15Å; F431-L439 HydrophobicContact CE1-CD2 3.65Å; F431-L439 HydrophobicContact CE1-CG 4.18Å; F431-L439 HydrophobicContact CG-CD1 4.47Å; F431-L439 HydrophobicContact CZ-CD2 4.47Å; L435-L439 PolarHBondContact O-N 3.34Å; L436-L439 HydrophobicContact CD1-CD1 4.09Å; L436-L439 WeakPolarHBondContact O-CB 3.47Å; L436-L439 PolarHBondContact O-N 2.71Å
440	Y	94.8	Very high	88.7	Confident	56 Å²	56	65.8 Å²	65.8	22%	0.22	36%	0.361	C	S	.	.	S	Bend	trans	58.7	53.8	-179.1	-51.3	-83.6	0	0	0	113.6	K173 E297 D298 H301	K173-Y440 HydrophobicContact CB-CE1 3.9Å; K173-Y440 WeakPolarHBondContact CB-OH 3.48Å; K173-Y440 HydrophobicContact CD-CD1 4.44Å; K173-Y440 HydrophobicContact CD-CE1 3.7Å; K173-Y440 HydrophobicContact CG-CE1 4.39Å; E297-Y440 PolarHBondContact O-OH 2.96Å; D298-Y440 HydrophobicContact CB-CD1 3.62Å; D298-Y440 HydrophobicContact CB-CD2 4.16Å; D298-Y440 HydrophobicContact CB-CE1 3.55Å; D298-Y440 HydrophobicContact CB-CE2 4.11Å; D298-Y440 HydrophobicContact CB-CG 3.93Å; D298-Y440 PolarHBondContact OD2-N 3.34Å; H301-Y440 HydrophobicContact CB-CD1 3.95Å; H301-Y440 HydrophobicContact CB-CE1 4.35Å; H301-Y440 AromaticContact CG-CD1 3.9Å
441	P	95.3	Very high	88.2	Confident	10 Å²	10	68.7 Å²	68.7	7%	0.065	37%	0.374	C	S	.	.			trans	-58.6	149.3	177.8	27.9	-36.2	0	0	0	110.8	H301 V302 L305 N334 L444	H301-P441 PolarHBondContact NE2-O 3.03Å; V302-P441 HydrophobicContact CG2-CG 4.35Å; L305-P441 HydrophobicContact CD1-CG 4.19Å; L305-P441 WeakPolarHBondContact CD1-O 3.14Å; N334-P441 WeakPolarHBondContact OD1-CB 3.49Å; P441-L444 HydrophobicContact CG-CD2 4.06Å
442	T	95.2	Very high	87.2	Confident	128 Å²	128	73.4 Å²	73.4	79%	0.785	41%	0.405	S	S	*	.	S	Bend	trans	-81.9	-21.8	178.7	52.6	0	0	0	0	113.1
443	S	95.5	Very high	86.1	Confident	44 Å²	44	76 Å²	76	31%	0.308	41%	0.406	S	S	.	.			trans	-150.9	156.9	-179.1	58.8	0	0	0	0	110.9
444	L	96.1	Very high	85.4	Confident	18 Å²	18	81.1 Å²	81.1	9%	0.094	43%	0.426	C	S	.	.			trans	-125.1	147	172.1	-63.8	172.5	0	0	0	108.8	V302 L305 I306 V310 N334 V336 P441	V302-L444 HydrophobicContact CG1-CD1 4.29Å; L305-L444 HydrophobicContact CB-CD1 3.83Å; L305-L444 HydrophobicContact CB-CG 4.33Å; L305-L444 HydrophobicContact CD1-CD1 4.49Å; L305-L444 HydrophobicContact CD1-CG 4.36Å; I306-L444 HydrophobicContact CD1-CD1 4.4Å; I306-L444 HydrophobicContact CG1-CD1 3.61Å; V310-L444 HydrophobicContact CG2-CB 3.87Å; N334-L444 HydrophobicContact CB-CD2 4.41Å; N334-L444 CarbonylContact O-C 3.54Å; N334-L444 VanDerWaalsContact O-CA 3.31Å; N334-L444 WeakPolarHBondContact O-CA 3.23Å; V336-L444 HydrophobicContact CG1-CB 4.36Å; V336-L444 HydrophobicContact CG1-CD1 4.11Å; V336-L444 HydrophobicContact CG1-CD2 4.3Å; V336-L444 HydrophobicContact CG1-CG 4.5Å; P441-L444 HydrophobicContact CG-CD2 4.06Å
445	H	94.4	Very high	84.8	Confident	113 Å²	113	79 Å²	79	52%	0.523	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	127.1	-179.3	-60.1	-75.7	0	0	0	110.2	N334 V335 V336	N334-H445 PolarHBondContact O-N 3.43Å; V335-H445 CarbonylContact C-O 3.46Å; V335-H445 VanDerWaalsContact CA-O 3.28Å; V335-H445 WeakPolarHBondContact CA-O 3.36Å; V336-H445 PolarHBondContact N-O 3.35Å
446	L	95.2	Very high	84.2	Confident	79 Å²	79	86.6 Å²	86.6	41%	0.414	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	129.6	177.6	-176.5	62.1	0	0	0	110.8	V310 V336 L338 L394 E448	V310-L446 HydrophobicContact CG1-CB 4.07Å; V310-L446 HydrophobicContact CG1-CD1 4.05Å; V310-L446 HydrophobicContact CG1-CG 4.47Å; V336-L446 HydrophobicContact CG2-CD1 4.29Å; L338-L446 HydrophobicContact CB-CD1 4.03Å; L394-L446 HydrophobicContact CD1-CD1 3.49Å; L394-L446 VanDerWaalsContact CD1-CD1 3.49Å; L446-E448 HydrophobicContact CD2-CG 4.24Å; L446-E448 HydrophobicContact CG-CG 4.29Å
447	S	93.6	Very high	83.9	Confident	37 Å²	37	86.9 Å²	86.9	26%	0.259	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	121.1	163.8	-177.8	0	0	0	0	108.8	V335 V336 E337 L338	V335-S447 VanDerWaalsContact CG1-CB 3.43Å; V336-S447 PolarHBondContact O-N 3.23Å; E337-S447 VanDerWaalsContact CA-O 3.32Å; E337-S447 WeakPolarHBondContact CA-O 3.35Å; L338-S447 PolarHBondContact N-O 2.04Å
448	E	86.2	Confident	83.8	Confident	140 Å²	140	90.5 Å²	90.5	65%	0.654	44%	0.441	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.9	112.9	174.8	-64.1	-174.5	-174.2	0	0	109.6	L338 L446	L338-E448 HydrophobicContact CD2-CG 4.43Å; L446-E448 HydrophobicContact CD2-CG 4.24Å; L446-E448 HydrophobicContact CG-CG 4.29Å
449	K	79.9	Confident	83.9	Confident	93 Å²	93	88.2 Å²	88.2	40%	0.404	44%	0.436	S	S	.	.			trans	-126.7	58.7	174.6	-63.4	-161	-159.4	142.1	0	110.8	E337 L338 H451	E337-K449 HydrophobicContact CG-CB 3.9Å; E337-K449 HydrophobicContact CG-CD 4.33Å; E337-K449 HydrophobicContact CG-CG 4.08Å; E337-K449 WeakPolarHBondContact OE1-CB 3.41Å; E337-K449 WeakPolarHBondContact OE2-CD 3.23Å; E337-K449 WeakPolarHBondContact OE2-CE 3.49Å; E337-K449 IonicContact OE2-NZ 2.78Å; E337-K449 PolarHBondContact OE2-NZ 3.38Å; L338-K449 CarbonylContact O-C 3.39Å; L338-K449 PolarHBondContact O-N 3.42Å; K449-H451 PolarHBondContact O-CD2 3.48Å; K449-H451 PolarHBondContact O-N 3.42Å; K449-H451 VanDerWaalsContact O-N 3.09Å
450	I	80.2	Confident	84	Confident	55 Å²	55	90.8 Å²	90.8	28%	0.282	45%	0.451	S	S	.	.			trans	-80.7	93.6	177.6	-57.5	178.5	0	0	0	108.4	L338 Y340 K392	L338-I450 HydrophobicContact CD2-CD1 4.12Å; L338-I450 HydrophobicContact CG-CD1 4.35Å; Y340-I450 HydrophobicContact CD2-CG2 4.08Å; Y340-I450 HydrophobicContact CE1-CG2 4Å; Y340-I450 HydrophobicContact CE2-CG2 3.37Å; Y340-I450 WeakPolarHBondContact OH-CG2 3.34Å; K392-I450 HydrophobicContact CD-CD1 4.21Å
451	H	74.1	Confident	84.1	Confident	120 Å²	120	88.1 Å²	88.1	56%	0.556	44%	0.44	S	S	*	.			trans	-77.3	133.9	172.5	-65.8	-74.8	0	0	0	110.4	Y340 K449 E453	Y340-H451 WeakPolarHBondContact CD2-O 3.2Å; Y340-H451 VanDerWaalsContact CE2-O 3.26Å; Y340-H451 WeakPolarHBondContact CE2-O 3.49Å; K449-H451 PolarHBondContact O-CD2 3.48Å; K449-H451 PolarHBondContact O-N 3.42Å; K449-H451 VanDerWaalsContact O-N 3.09Å; H451-E453 PolarHBondContact O-N 2.95Å; H451-E453 VanDerWaalsContact O-N 3.16Å
452	T	65.3	Low	84.2	Confident	122 Å²	122	88.3 Å²	88.3	75%	0.748	44%	0.444	S	S	*	.			trans	-78.1	10	-176.9	46.8	0	0	0	0	114.3	N454	T452-N454 PolarHBondContact O-N 3.12Å
453	E	61.1	Low	84.3	Confident	150 Å²	150	82.2 Å²	82.2	70%	0.701	41%	0.406	S	S	*	.			trans	-64.1	128.1	-174.8	-68	-172.1	179	0	0	111.7	H451 I455	H451-E453 PolarHBondContact O-N 2.95Å; H451-E453 VanDerWaalsContact O-N 3.16Å; E453-I455 PolarHBondContact O-N 3.35Å
454	N	65.1	Low	84.4	Confident	139 Å²	139	80.8 Å²	80.8	74%	0.743	40%	0.396	S	S	*	.			trans	-72.4	97.3	170.5	-76.7	-28.3	0	0	0	108.7	T452 K456	T452-N454 PolarHBondContact O-N 3.12Å; N454-K456 PolarHBondContact O-N 2.97Å
455	I	71.6	Confident	84.5	Confident	55 Å²	55	80.1 Å²	80.1	28%	0.282	39%	0.393	S	S	.	.			trans	-64.1	115.9	174.2	-62.5	138.5	0	0	0	108.1	L342 E453 Q457	L342-I455 HydrophobicContact CD2-CB 4.41Å; L342-I455 HydrophobicContact CD2-CD1 3.38Å; L342-I455 HydrophobicContact CD2-CG1 3.83Å; L342-I455 HydrophobicContact CD2-CG2 3.9Å; L342-I455 HydrophobicContact CG-CD1 4.28Å; E453-I455 PolarHBondContact O-N 3.35Å; I455-Q457 PolarHBondContact O-N 2.96Å; I455-Q457 VanDerWaalsContact O-N 3.14Å
456	K	72	Confident	84.6	Confident	189 Å²	189	76.5 Å²	76.5	82%	0.822	38%	0.376	S	S	*	.			trans	-62.8	117.1	174.5	-72.8	-174	179.6	-179.3	0	109.2	N454	N454-K456 PolarHBondContact O-N 2.97Å
457	Q	76.9	Confident	84.8	Confident	55 Å²	55	72.8 Å²	72.8	26%	0.257	36%	0.357	S	S	.	.			trans	-81	134	172.9	-63.7	-178.3	-31.1	0	0	109.3	Q380 Q384 N385 I455	Q380-Q457 PolarHBondContact O-NE2 3.09Å; Q384-Q457 VanDerWaalsContact OE1-CD 3.22Å; N385-Q457 PolarHBondContact ND2-NE2 3.08Å; N385-Q457 PolarHBondContact ND2-OE1 2.72Å; I455-Q457 PolarHBondContact O-N 2.96Å; I455-Q457 VanDerWaalsContact O-N 3.14Å
458	R	83.4	Confident	85	Confident	197 Å²	197	71 Å²	71	74%	0.743	34%	0.344	S	S	*	.			trans	-115.7	144.9	167.8	-67.2	-175.7	179.5	-177.1	-0	107.3	Y370	Y370-R458 PolarHBondContact OH-O 3.05Å
459	V	92.5	Very high	85.5	Confident	40 Å²	40	66.3 Å²	66.3	24%	0.242	32%	0.321	C	S	.	.			trans	-97.6	134.5	176.6	64	0	0	0	0	108.3	T249 F250 Y370 D371	T249-V459 HydrophobicContact CG2-CG1 3.98Å; F250-V459 HydrophobicContact CE2-CG1 4.44Å; F250-V459 VanDerWaalsContact CE2-O 3.29Å; F250-V459 WeakPolarHBondContact CE2-O 3.32Å; F250-V459 HydrophobicContact CZ-CG1 4.42Å; F250-V459 VanDerWaalsContact CZ-O 3.31Å; F250-V459 WeakPolarHBondContact CZ-O 3.39Å; Y370-V459 HydrophobicContact CE2-CG2 4.4Å; D371-V459 HydrophobicContact CB-CG2 4.03Å; D371-V459 WeakPolarHBondContact O-CG2 3.33Å
460	N	95.7	Very high	86.4	Confident	67 Å²	67	61.9 Å²	61.9	36%	0.358	30%	0.301	S	S	.	.			trans	-92.7	-14.5	178.9	-62.4	-69.5	0	0	0	113.7	D372 Y373 N374	D372-N460 PolarHBondContact OD1-ND2 3.18Å; D372-N460 WeakPolarHBondContact OD2-CB 3.26Å; D372-N460 PolarHBondContact OD2-N 3.35Å; D372-N460 PolarHBondContact OD2-ND2 3.16Å; Y373-N460 HydrophobicContact CE1-CB 4.3Å; N374-N460 PolarHBondContact ND2-ND2 3.49Å
461	G	96.6	Very high	87.2	Confident	0 Å²	0	59.3 Å²	59.3	0%	0	29%	0.288	C	S	.	.	B	Isolated β-bridge	trans	86.1	-158.3	-179	0	0	0	0	0	113.1	D248 D371 D372 Y373 W463	D248-G461 WeakPolarHBondContact OD2-CA 3.1Å; D371-G461 CarbonylContact O-C 3.42Å; D371-G461 WeakPolarHBondContact O-CA 3.45Å; D371-G461 PolarHBondContact O-N 3.46Å; D372-G461 WeakPolarHBondContact CA-O 3.47Å; Y373-G461 VanDerWaalsContact CD1-O 3.25Å; Y373-G461 WeakPolarHBondContact CD1-O 3.4Å; Y373-G461 PolarHBondContact N-O 3.03Å; G461-W463 VanDerWaalsContact C-N 3.3Å; G461-W463 PolarHBondContact O-N 3.5Å
462	G	97	Very high	88.3	Confident	14 Å²	14	53.6 Å²	53.6	14%	0.144	26%	0.262	C	S	.	.			trans	68.6	12.9	174.7	0	0	0	0	0	116.5	D248	D248-G462 PolarHBondContact OD2-N 2.92Å
463	W	97.9	Very high	89.9	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	23%	0.232	C	C	.	.			trans	-136.6	29.3	-174.8	-160.3	-96.3	0	0	0	113.6	T259 K262 N263 C368 Y370 D371 G461 R469 C472	T259-W463 VanDerWaalsContact CA-CZ3 3.49Å; T259-W463 HydrophobicContact CG2-CE3 3.99Å; T259-W463 HydrophobicContact CG2-CZ3 4.13Å; T259-W463 WeakPolarHBondContact O-CH2 3.43Å; T259-W463 WeakPolarHBondContact O-CZ3 3.03Å; K262-W463 HydrophobicContact CB-CE3 4.43Å; K262-W463 HydrophobicContact CB-CH2 3.64Å; K262-W463 HydrophobicContact CB-CZ2 4.4Å; K262-W463 HydrophobicContact CB-CZ3 3.63Å; K262-W463 HydrophobicContact CD-CD2 3.78Å; K262-W463 HydrophobicContact CD-CE3 3.88Å; K262-W463 HydrophobicContact CD-CG 4.45Å; K262-W463 HydrophobicContact CD-CH2 3.71Å; K262-W463 HydrophobicContact CD-CZ2 3.67Å; K262-W463 HydrophobicContact CD-CZ3 3.77Å; K262-W463 HydrophobicContact CG-CH2 3.54Å; K262-W463 HydrophobicContact CG-CZ2 3.8Å; K262-W463 HydrophobicContact CG-CZ3 3.9Å; K262-W463 VanDerWaalsContact NZ-CD1 3.28Å; N263-W463 HydrophobicContact CB-CH2 4.41Å; N263-W463 WeakPolarHBondContact ND2-CH2 3.48Å; C368-W463 VanDerWaalsContact O-CD1 3.25Å; C368-W463 PolarHBondContact O-NE1 2.91Å; Y370-W463 VanDerWaalsContact O-CD1 3.29Å; D371-W463 WeakPolarHBondContact OD1-CA 3.49Å; D371-W463 PolarHBondContact OD1-N 2.75Å; G461-W463 VanDerWaalsContact C-N 3.3Å; G461-W463 PolarHBondContact O-N 3.5Å; W463-R469 PolarHBondContact O-NE 2.58Å; W463-C472 HydrophobicContact CZ2-CB 4Å
464	S	97.6	Very high	91.6	Very high	14 Å²	14	42.1 Å²	42.1	10%	0.098	20%	0.2	C	C	.	.			trans	-99	-9	180	-70.5	0	0	0	0	115.3	P247 D371 E466 R469	P247-S464 WeakPolarHBondContact O-CB 3.06Å; D371-S464 PolarHBondContact OD1-N 3.02Å; D371-S464 PolarHBondContact OD1-OG 3.31Å; D371-S464 PolarHBondContact OD2-OG 3.14Å; S464-E466 PolarHBondContact O-N 3.02Å; S464-R469 PolarHBondContact OG-NH2 3.13Å
465	D	98	Very high	93	Very high	3 Å²	3	35.5 Å²	35.5	2%	0.016	16%	0.164	C	C	.	.			trans	-62.5	122.2	173.5	-165.7	-56.1	0	0	0	110.1	N243 R254 R467 D468 R469	N243-D465 WeakPolarHBondContact CB-OD2 3.5Å; N243-D465 VanDerWaalsContact CG-OD2 3.3Å; N243-D465 PolarHBondContact ND2-OD2 3.07Å; R254-D465 HydrophobicContact CB-CB 4.06Å; R254-D465 WeakPolarHBondContact CD-OD2 3.34Å; R254-D465 HydrophobicContact CG-CB 4.42Å; D465-R467 PolarHBondContact O-N 3.05Å; D465-R467 VanDerWaalsContact O-N 3.13Å; D465-R467 VanDerWaalsContact OD1-CB 3.26Å; D465-R467 WeakPolarHBondContact OD1-CB 3.44Å; D465-R467 WeakPolarHBondContact OD1-CG 3.04Å; D465-R467 IonicContact OD1-CZ 3.87Å; D465-R467 PolarHBondContact OD1-N 3.36Å; D465-R467 IonicContact OD1-NE 3.9Å; D465-R467 PolarHBondContact OD1-NE 3.46Å; D465-R467 IonicContact OD1-NH2 2.84Å; D465-R467 IonicContact OD2-CZ 2.88Å; D465-R467 IonicContact OD2-NE 3.88Å; D465-R467 PolarHBondContact OD2-NE 3.26Å; D465-R467 IonicContact OD2-NH2 3.79Å; D465-R467 PolarHBondContact OD2-NH2 2.81Å; D465-D468 HydrophobicContact CB-CB 4.48Å; D465-D468 PolarHBondContact O-N 2.9Å; D465-R469 PolarHBondContact O-N 2.88Å; D465-R469 VanDerWaalsContact O-N 3.14Å
466	E	97.5	Very high	94.1	Very high	38 Å²	38	35 Å²	35	18%	0.178	16%	0.16	C	C	.	.	H	α-helix	trans	-63.6	-23.5	-173.9	-167.3	61.1	-160.7	0	0	112.2	W246 S464 S470 I483	W246-E466 HydrophobicContact CD2-CB 3.6Å; W246-E466 HydrophobicContact CE3-CB 3.89Å; W246-E466 HydrophobicContact CG-CB 4.09Å; W246-E466 HydrophobicContact CH2-CB 4.12Å; W246-E466 HydrophobicContact CZ2-CB 3.83Å; W246-E466 HydrophobicContact CZ2-CG 4.43Å; W246-E466 HydrophobicContact CZ3-CB 4.15Å; S464-E466 PolarHBondContact O-N 3.02Å; E466-S470 WeakPolarHBondContact O-CB 3.05Å; E466-S470 PolarHBondContact O-N 3.1Å; E466-S470 PolarHBondContact O-OG 2.87Å; E466-I483 HydrophobicContact CB-CG2 4.49Å; E466-I483 HydrophobicContact CG-CD1 3.48Å; E466-I483 VanDerWaalsContact CG-CD1 3.48Å; E466-I483 HydrophobicContact CG-CG2 3.95Å; E466-I483 VanDerWaalsContact OE1-CD1 3.29Å; E466-I483 WeakPolarHBondContact OE1-CD1 3.47Å
467	R	97.8	Very high	95.2	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-70.2	-43.2	173.5	-58.1	171	-67.7	173.8	-3.4	111.4	F219 D226 W246 R254 D465 S470 L471 L484 W487	F219-R467 HydrophobicContact CD1-CB 4.32Å; F219-R467 HydrophobicContact CD2-CB 3.66Å; F219-R467 HydrophobicContact CD2-CG 4.44Å; F219-R467 HydrophobicContact CE1-CB 4.01Å; F219-R467 HydrophobicContact CE2-CB 3.33Å; F219-R467 HydrophobicContact CG-CB 4.16Å; F219-R467 HydrophobicContact CZ-CB 3.53Å; F219-R467 VanDerWaalsContact CZ-O 3.27Å; F219-R467 WeakPolarHBondContact CZ-O 3.49Å; D226-R467 VanDerWaalsContact CG-NH2 3.31Å; D226-R467 IonicContact OD1-CZ 3.7Å; D226-R467 IonicContact OD1-NH1 3.67Å; D226-R467 PolarHBondContact OD1-NH1 3.15Å; D226-R467 IonicContact OD1-NH2 2.69Å; D226-R467 PolarHBondContact OD1-NH2 2.84Å; D226-R467 IonicContact OD2-NH1 3.63Å; D226-R467 IonicContact OD2-NH2 2.95Å; D226-R467 PolarHBondContact OD2-NH2 3.2Å; W246-R467 HydrophobicContact CZ3-CG 4.05Å; R254-R467 VanDerWaalsContact CD-NH2 3.29Å; D465-R467 PolarHBondContact O-N 3.05Å; D465-R467 VanDerWaalsContact O-N 3.13Å; D465-R467 VanDerWaalsContact OD1-CB 3.26Å; D465-R467 WeakPolarHBondContact OD1-CB 3.44Å; D465-R467 WeakPolarHBondContact OD1-CG 3.04Å; D465-R467 IonicContact OD1-CZ 3.87Å; D465-R467 PolarHBondContact OD1-N 3.36Å; D465-R467 IonicContact OD1-NE 3.9Å; D465-R467 PolarHBondContact OD1-NE 3.46Å; D465-R467 IonicContact OD1-NH2 2.84Å; D465-R467 IonicContact OD2-CZ 2.88Å; D465-R467 IonicContact OD2-NE 3.88Å; D465-R467 PolarHBondContact OD2-NE 3.26Å; D465-R467 IonicContact OD2-NH2 3.79Å; D465-R467 PolarHBondContact OD2-NH2 2.81Å; R467-S470 PolarHBondContact O-N 2.81Å; R467-L471 WeakPolarHBondContact O-CB 3.34Å; R467-L471 PolarHBondContact O-N 2.02Å; R467-L484 HydrophobicContact CB-CD2 4.29Å; R467-W487 HydrophobicContact CG-CB 3.88Å
468	D	98.2	Very high	95.9	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-64.3	-43.7	177	-73.9	-66.7	0	0	0	111	R254 T259 D465 S470 L471 C472	R254-D468 WeakPolarHBondContact CD-OD2 3.46Å; R254-D468 IonicContact CZ-OD2 3.71Å; R254-D468 IonicContact NE-OD1 3.54Å; R254-D468 IonicContact NE-OD2 2.86Å; R254-D468 PolarHBondContact NE-OD2 3.14Å; R254-D468 IonicContact NH2-OD1 3.6Å; R254-D468 IonicContact NH2-OD2 3.59Å; T259-D468 VanDerWaalsContact CB-OD1 3.24Å; T259-D468 WeakPolarHBondContact CB-OD1 3.37Å; T259-D468 PolarHBondContact OG1-OD1 2.8Å; D465-D468 HydrophobicContact CB-CB 4.48Å; D465-D468 PolarHBondContact O-N 2.9Å; D468-S470 VanDerWaalsContact C-N 3.35Å; D468-S470 PolarHBondContact O-N 2.92Å; D468-L471 PolarHBondContact O-N 2.91Å; D468-C472 WeakPolarHBondContact O-CB 3.47Å; D468-C472 PolarHBondContact O-N 3.2Å
469	R	97.8	Very high	96.4	Very high	42 Å²	42	27.7 Å²	27.7	16%	0.158	14%	0.143	C	C	.	.	H	α-helix	trans	-60.8	-44.1	174.4	-61.4	-174.8	169.2	169.2	-2.3	112.1	C368 F369 W463 S464 D465 C472 Q473	C368-R469 WeakPolarHBondContact O-CG 3.17Å; F369-R469 PolarHBondContact O-NH2 3.04Å; W463-R469 PolarHBondContact O-NE 2.58Å; S464-R469 PolarHBondContact OG-NH2 3.13Å; D465-R469 PolarHBondContact O-N 2.88Å; D465-R469 VanDerWaalsContact O-N 3.14Å; R469-C472 WeakPolarHBondContact O-CB 3.21Å; R469-C472 PolarHBondContact O-N 2.75Å; R469-Q473 WeakPolarHBondContact O-CG 3.32Å; R469-Q473 PolarHBondContact O-N 3.08Å
470	S	97.4	Very high	96.4	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-66.1	-40	178.3	-66.8	0	0	0	0	112.4	E466 R467 D468 Q473 S474 I483	E466-S470 WeakPolarHBondContact O-CB 3.05Å; E466-S470 PolarHBondContact O-N 3.1Å; E466-S470 PolarHBondContact O-OG 2.87Å; R467-S470 PolarHBondContact O-N 2.81Å; D468-S470 VanDerWaalsContact C-N 3.35Å; D468-S470 PolarHBondContact O-N 2.92Å; S470-Q473 PolarHBondContact O-N 3.44Å; S470-S474 PolarHBondContact O-N 3.34Å; S470-S474 PolarHBondContact O-OG 3.05Å; S470-I483 WeakPolarHBondContact OG-CB 3.39Å
471	L	97.6	Very high	96.1	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-61.3	-50.8	174.5	176.3	52	0	0	0	110.2	H210 F219 P220 R467 D468 Q473 S474 L475 W480 L484 L491	H210-L471 HydrophobicContact CB-CD2 4.33Å; F219-L471 HydrophobicContact CE1-CB 4.11Å; F219-L471 HydrophobicContact CE1-CD2 3.92Å; F219-L471 HydrophobicContact CZ-CB 4.03Å; F219-L471 HydrophobicContact CZ-CD2 3.99Å; P220-L471 HydrophobicContact CB-CD2 3.85Å; P220-L471 HydrophobicContact CG-CD2 4.13Å; R467-L471 WeakPolarHBondContact O-CB 3.34Å; R467-L471 PolarHBondContact O-N 2.02Å; D468-L471 PolarHBondContact O-N 2.91Å; L471-Q473 PolarHBondContact O-N 2.95Å; L471-S474 WeakPolarHBondContact O-CA 2.96Å; L471-S474 WeakPolarHBondContact O-CB 3.26Å; L471-S474 PolarHBondContact O-N 2.95Å; L471-L475 HydrophobicContact CD1-CD2 4.34Å; L471-L475 WeakPolarHBondContact O-CG 3.27Å; L471-L475 PolarHBondContact O-N 2.97Å; L471-L475 VanDerWaalsContact O-N 3.12Å; L471-W480 HydrophobicContact CD1-CH2 4.48Å; L471-W480 HydrophobicContact CD1-CZ3 4.08Å; L471-L484 HydrophobicContact CB-CD1 4.42Å; L471-L491 HydrophobicContact CD1-CD2 3.96Å; L471-L491 HydrophobicContact CD2-CD2 4.32Å
472	C	98	Very high	95.9	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-51.4	-44.2	175.6	-179.1	0	0	0	0	112.3	L266 C368 W463 D468 R469 L475 F476	L266-C472 VanDerWaalsContact CD2-SG 3.54Å; C368-C472 WeakPolarHBondContact CA-SG 3.38Å; C368-C472 HydrophobicContact CB-CB 3.69Å; C368-C472 WeakPolarHBondContact CB-SG 3.45Å; C368-C472 WeakPolarHBondContact SG-CB 3.34Å; C368-C472 CovalentContact SG-SG 2.04Å; C368-C472 PolarHBondContact SG-SG 2.75Å; W463-C472 HydrophobicContact CZ2-CB 4Å; D468-C472 WeakPolarHBondContact O-CB 3.47Å; D468-C472 PolarHBondContact O-N 3.2Å; R469-C472 WeakPolarHBondContact O-CB 3.21Å; R469-C472 PolarHBondContact O-N 2.75Å; C472-L475 WeakPolarHBondContact O-CB 3.48Å; C472-L475 PolarHBondContact O-N 2.76Å; C472-F476 WeakPolarHBondContact O-CD1 3.17Å
473	Q	97.3	Very high	95.8	Very high	29 Å²	29	38.1 Å²	38.1	14%	0.136	18%	0.18	C	C	.	.	H	α-helix	trans	-66.3	-38.8	175.6	-71.5	-178.8	-48	0	0	113.9	N365 C368 F369 R469 S470 L471 L475 F476 S477	N365-Q473 PolarHBondContact OD1-NE2 2.71Å; C368-Q473 HydrophobicContact CB-CG 3.98Å; F369-Q473 VanDerWaalsContact CE2-NE2 3.3Å; R469-Q473 WeakPolarHBondContact O-CG 3.32Å; R469-Q473 PolarHBondContact O-N 3.08Å; S470-Q473 PolarHBondContact O-N 3.44Å; L471-Q473 PolarHBondContact O-N 2.95Å; Q473-L475 PolarHBondContact O-N 2.73Å; Q473-F476 VanDerWaalsContact CA-CE1 3.45Å; Q473-F476 HydrophobicContact CB-CE1 4.22Å; Q473-F476 HydrophobicContact CB-CZ 4.41Å; Q473-F476 HydrophobicContact CG-CE1 4.19Å; Q473-F476 HydrophobicContact CG-CZ 4.3Å; Q473-S477 VanDerWaalsContact O-CB 3.32Å; Q473-S477 WeakPolarHBondContact O-CB 3.48Å; Q473-S477 PolarHBondContact O-N 2.81Å; Q473-S477 VanDerWaalsContact O-N 3.09Å; Q473-S477 PolarHBondContact O-OG 2.93Å
474	S	96.7	Very high	95.7	Very high	2 Å²	2	38.1 Å²	38.1	1%	0.014	18%	0.18	C	C	.	.	H	α-helix	trans	-62.2	-31.7	177.5	-75.6	0	0	0	0	112.4	S470 L471 N478 K479 N481	S470-S474 PolarHBondContact O-N 3.34Å; S470-S474 PolarHBondContact O-OG 3.05Å; L471-S474 WeakPolarHBondContact O-CA 2.96Å; L471-S474 WeakPolarHBondContact O-CB 3.26Å; L471-S474 PolarHBondContact O-N 2.95Å; S474-N478 WeakPolarHBondContact O-CA 3.17Å; S474-N478 PolarHBondContact O-N 2.85Å; S474-N478 VanDerWaalsContact O-N 3.08Å; S474-K479 WeakPolarHBondContact CA-O 3.42Å; S474-K479 VanDerWaalsContact CB-O 3.23Å; S474-K479 WeakPolarHBondContact CB-O 3.46Å; S474-K479 PolarHBondContact OG-O 2.86Å; S474-N481 PolarHBondContact OG-N 3.29Å
475	L	96.1	Very high	95.4	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-58.9	-49.6	178.9	-60.5	176.8	0	0	0	112.2	N263 L266 W267 L471 C472 Q473 Y498	N263-L475 HydrophobicContact CB-CD1 4.32Å; N263-L475 WeakPolarHBondContact O-CD1 3.31Å; L266-L475 HydrophobicContact CB-CD1 4.29Å; L266-L475 HydrophobicContact CD2-CB 4.33Å; L266-L475 HydrophobicContact CD2-CD1 4.12Å; L266-L475 HydrophobicContact CG-CB 4.42Å; L266-L475 HydrophobicContact CG-CD1 4.17Å; W267-L475 HydrophobicContact CB-CD1 3.99Å; W267-L475 HydrophobicContact CB-CD2 4.1Å; W267-L475 HydrophobicContact CG-CD2 4.39Å; L471-L475 HydrophobicContact CD1-CD2 4.34Å; L471-L475 WeakPolarHBondContact O-CG 3.27Å; L471-L475 PolarHBondContact O-N 2.97Å; L471-L475 VanDerWaalsContact O-N 3.12Å; C472-L475 WeakPolarHBondContact O-CB 3.48Å; C472-L475 PolarHBondContact O-N 2.76Å; Q473-L475 PolarHBondContact O-N 2.73Å; L475-Y498 WeakPolarHBondContact O-CE2 3.42Å; L475-Y498 VanDerWaalsContact O-CZ 3.26Å; L475-Y498 PolarHBondContact O-OH 3.12Å
476	F	94.4	Very high	95.1	Very high	44 Å²	44	47.6 Å²	47.6	19%	0.193	23%	0.228	C	C	.	.	H	α-helix	trans	-92.5	-21.7	-177.2	69.8	-95.9	0	0	0	114.1	L266 L364 N365 C472 Q473 N478	L266-F476 HydrophobicContact CD2-CD1 4.45Å; L364-F476 HydrophobicContact CB-CD1 3.62Å; L364-F476 HydrophobicContact CB-CD2 4.22Å; L364-F476 HydrophobicContact CB-CE1 3.54Å; L364-F476 HydrophobicContact CB-CE2 4.21Å; L364-F476 HydrophobicContact CB-CG 3.95Å; L364-F476 HydrophobicContact CB-CZ 3.88Å; L364-F476 HydrophobicContact CD1-CB 3.46Å; L364-F476 VanDerWaalsContact CD1-CB 3.46Å; L364-F476 HydrophobicContact CD1-CD1 3.78Å; L364-F476 HydrophobicContact CD1-CD2 4.2Å; L364-F476 HydrophobicContact CD1-CG 3.56Å; L364-F476 HydrophobicContact CG-CD1 4.3Å; L364-F476 HydrophobicContact CG-CG 4.42Å; N365-F476 WeakPolarHBondContact OD1-CZ 3.42Å; C472-F476 WeakPolarHBondContact O-CD1 3.17Å; Q473-F476 VanDerWaalsContact CA-CE1 3.45Å; Q473-F476 HydrophobicContact CB-CE1 4.22Å; Q473-F476 HydrophobicContact CB-CZ 4.41Å; Q473-F476 HydrophobicContact CG-CE1 4.19Å; Q473-F476 HydrophobicContact CG-CZ 4.3Å; F476-N478 VanDerWaalsContact C-N 3.3Å
477	S	94.2	Very high	95	Very high	51 Å²	51	49.7 Å²	49.7	36%	0.357	23%	0.234	S	C	.	.	H	α-helix	trans	-81.5	-13	176.3	64.6	0	0	0	0	113.3	Q473 K479	Q473-S477 VanDerWaalsContact O-CB 3.32Å; Q473-S477 WeakPolarHBondContact O-CB 3.48Å; Q473-S477 PolarHBondContact O-N 2.81Å; Q473-S477 VanDerWaalsContact O-N 3.09Å; Q473-S477 PolarHBondContact O-OG 2.93Å; S477-K479 PolarHBondContact O-N 3.28Å
478	N	92	Very high	94.8	Very high	83 Å²	83	50 Å²	50	44%	0.444	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.3	37.2	-172.6	-166.4	23.5	0	0	0	112.9	S474 F476 Y498	S474-N478 WeakPolarHBondContact O-CA 3.17Å; S474-N478 PolarHBondContact O-N 2.85Å; S474-N478 VanDerWaalsContact O-N 3.08Å; F476-N478 VanDerWaalsContact C-N 3.3Å; N478-Y498 HydrophobicContact CB-CD2 4.27Å; N478-Y498 WeakPolarHBondContact OD1-CD2 3.39Å; N478-Y498 HydrophobicContact CB-CE2 4.33Å
479	K	93.1	Very high	94.5	Very high	154 Å²	154	53.5 Å²	53.5	67%	0.67	26%	0.26	S	S	*	.	S	Bend	trans	-144.1	135.9	-178.7	-69.1	177.3	-172.9	174.7	0	111.1	S474 S477 I497	S474-K479 WeakPolarHBondContact CA-O 3.42Å; S474-K479 VanDerWaalsContact CB-O 3.23Å; S474-K479 WeakPolarHBondContact CB-O 3.46Å; S474-K479 PolarHBondContact OG-O 2.86Å; S477-K479 PolarHBondContact O-N 3.28Å; K479-I497 VanDerWaalsContact N-CD1 3.34Å
480	W	92.5	Very high	94.2	Very high	70 Å²	70	56.4 Å²	56.4	27%	0.265	27%	0.274	S	S	.	.			trans	-69.7	131.6	173.2	-69.8	121.6	0	0	0	111.8	H210 L471 L484 L491 I492 S495 I497	H210-W480 AromaticContact CE1-CH2 3.66Å; L471-W480 HydrophobicContact CD1-CH2 4.48Å; L471-W480 HydrophobicContact CD1-CZ3 4.08Å; W480-L484 HydrophobicContact CE3-CD1 3.61Å; W480-L484 HydrophobicContact CZ3-CD1 3.79Å; W480-L491 HydrophobicContact CH2-CD1 4.25Å; W480-L491 HydrophobicContact CH2-CD2 4.16Å; W480-L491 HydrophobicContact CH2-CG 3.87Å; W480-L491 HydrophobicContact CZ3-CD2 3.9Å; W480-L491 HydrophobicContact CZ3-CG 4.05Å; W480-I492 HydrophobicContact CE3-CG1 4.13Å; W480-I492 HydrophobicContact CG-CG2 4.23Å; W480-I492 HydrophobicContact CG-CG1 3.94Å; W480-I492 HydrophobicContact CG-CD1 4.02Å; W480-I492 HydrophobicContact CD2-CG1 3.81Å; W480-I492 HydrophobicContact CD2-CD1 4.32Å; W480-I492 HydrophobicContact CB-CG1 4.42Å; W480-I492 HydrophobicContact CB-CD1 3.97Å; W480-S495 VanDerWaalsContact CZ2-O 3.26Å; W480-S495 WeakPolarHBondContact CZ2-O 3.48Å; W480-I497 HydrophobicContact CE3-CD1 4.34Å; W480-I497 HydrophobicContact CZ3-CG1 4.38Å; W480-I497 VanDerWaalsContact CZ2-CG1 3.44Å; W480-I497 HydrophobicContact CZ2-CG1 3.44Å; W480-I497 HydrophobicContact CZ2-CD1 4.28Å; W480-I497 HydrophobicContact CH2-CG1 3.93Å; W480-I497 HydrophobicContact CE3-CG1 4.41Å; W480-I497 VanDerWaalsContact CE2-CG1 3.49Å; W480-I497 HydrophobicContact CD2-CG1 4Å; W480-I497 HydrophobicContact CD2-CD1 3.9Å; W480-I497 HydrophobicContact CG-CD1 4.17Å
481	N	89.9	Confident	94.1	Very high	43 Å²	43	56.4 Å²	56.4	23%	0.23	27%	0.274	C	S	.	.			trans	-77.1	142.5	175	-170.5	-46	0	0	0	110.6	S474 I483 L484 T485	S474-N481 PolarHBondContact OG-N 3.29Å; N481-I483 PolarHBondContact OD1-N 2.92Å; N481-I483 WeakPolarHBondContact OD1-CG1 3.23Å; N481-I483 WeakPolarHBondContact OD1-CB 3.44Å; N481-I483 VanDerWaalsContact O-N 3.17Å; N481-I483 PolarHBondContact O-N 3.04Å; N481-L484 HydrophobicContact CB-CD1 4.35Å; N481-L484 HydrophobicContact CB-CG 4.4Å; N481-L484 WeakPolarHBondContact O-CB 3.36Å; N481-L484 PolarHBondContact O-N 3.19Å; N481-T485 PolarHBondContact O-N 2.66Å; N481-T485 VanDerWaalsContact O-N 3.12Å; N481-T485 PolarHBondContact O-OG1 3.18Å
482	K	93.4	Very high	93.7	Very high	185 Å²	185	58.7 Å²	58.7	80%	0.804	29%	0.285	S	S	*	.	H	α-helix	trans	-54.8	-33.1	175.5	-66.4	-177.9	179.5	179.7	0	112.8	L484 T485 H486	K482-L484 VanDerWaalsContact C-N 3.34Å; K482-T485 PolarHBondContact O-N 3.29Å; K482-T485 WeakPolarHBondContact O-CB 3.32Å; K482-H486 VanDerWaalsContact O-N 3.12Å; K482-H486 PolarHBondContact O-N 3.26Å
483	I	93.9	Very high	93.2	Very high	43 Å²	43	64.7 Å²	64.7	22%	0.221	31%	0.313	C	S	.	.	H	α-helix	trans	-61	-45.1	175.9	-63.5	178.9	0	0	0	110	E466 S470 N481 T485 H486 W487	E466-I483 HydrophobicContact CB-CG2 4.49Å; E466-I483 HydrophobicContact CG-CD1 3.48Å; E466-I483 VanDerWaalsContact CG-CD1 3.48Å; E466-I483 HydrophobicContact CG-CG2 3.95Å; E466-I483 VanDerWaalsContact OE1-CD1 3.29Å; E466-I483 WeakPolarHBondContact OE1-CD1 3.47Å; S470-I483 WeakPolarHBondContact OG-CB 3.39Å; N481-I483 PolarHBondContact OD1-N 2.92Å; N481-I483 WeakPolarHBondContact OD1-CG1 3.23Å; N481-I483 WeakPolarHBondContact OD1-CB 3.44Å; N481-I483 VanDerWaalsContact O-N 3.17Å; N481-I483 PolarHBondContact O-N 3.04Å; I483-T485 VanDerWaalsContact C-N 3.35Å; I483-T485 PolarHBondContact O-N 2.95Å; I483-H486 PolarHBondContact O-N 3.28Å; I483-W487 WeakPolarHBondContact O-CB 3.45Å; I483-W487 VanDerWaalsContact O-CD1 3.27Å; I483-W487 PolarHBondContact O-N 2.98Å
484	L	95.3	Very high	92.5	Very high	0 Å²	0	67.8 Å²	67.8	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-67.4	-36	176.5	-64.8	172.4	0	0	0	111.9	F219 R467 L471 W480 N481 K482 H486 A488 L491 I492	F219-L484 HydrophobicContact CD1-CD2 4.29Å; F219-L484 HydrophobicContact CE1-CD2 3.71Å; F219-L484 HydrophobicContact CZ-CD2 4.39Å; R467-L484 HydrophobicContact CB-CD2 4.29Å; L471-L484 HydrophobicContact CB-CD1 4.42Å; W480-L484 HydrophobicContact CE3-CD1 3.61Å; W480-L484 HydrophobicContact CZ3-CD1 3.79Å; N481-L484 HydrophobicContact CB-CD1 4.35Å; N481-L484 HydrophobicContact CB-CG 4.4Å; N481-L484 WeakPolarHBondContact O-CB 3.36Å; N481-L484 PolarHBondContact O-N 3.19Å; K482-L484 VanDerWaalsContact C-N 3.34Å; L484-H486 PolarHBondContact O-N 3.25Å; L484-A488 HydrophobicContact CD2-CB 3.98Å; L484-A488 PolarHBondContact O-N 3.03Å; L484-A488 WeakPolarHBondContact O-CA 3.28Å; L484-A488 VanDerWaalsContact O-CA 3.23Å; L484-A488 CarbonylContact O-C 3.02Å; L484-A488 HydrophobicContact CB-CB 4.5Å; L484-L491 HydrophobicContact CD2-CD2 4.31Å; L484-I492 HydrophobicContact CB-CD1 4.28Å
485	T	91.5	Very high	91.6	Very high	84 Å²	84	68 Å²	68	52%	0.515	33%	0.326	S	S	.	.	H	α-helix	trans	-59.3	-36.2	174.6	-48.7	0	0	0	0	112	N481 K482 I483 I492	N481-T485 PolarHBondContact O-N 2.66Å; N481-T485 VanDerWaalsContact O-N 3.12Å; N481-T485 PolarHBondContact O-OG1 3.18Å; K482-T485 PolarHBondContact O-N 3.29Å; K482-T485 WeakPolarHBondContact O-CB 3.32Å; I483-T485 VanDerWaalsContact C-N 3.35Å; I483-T485 PolarHBondContact O-N 2.95Å; T485-I492 HydrophobicContact CG2-CD1 4.48Å; T485-I492 WeakPolarHBondContact OG1-CD1 3.37Å
486	H	93.1	Very high	90.8	Very high	132 Å²	132	70.5 Å²	70.5	61%	0.611	34%	0.342	S	S	*	.	H	α-helix	trans	-84.2	-47.4	179.7	-171.3	55	0	0	0	113	K482 I483 L484	K482-H486 VanDerWaalsContact O-N 3.12Å; K482-H486 PolarHBondContact O-N 3.26Å; I483-H486 PolarHBondContact O-N 3.28Å; L484-H486 PolarHBondContact O-N 3.25Å
487	W	94.1	Very high	89.9	Confident	81 Å²	81	69 Å²	69	31%	0.307	34%	0.336	S	S	.	.	H	α-helix	trans	-100.3	-11.7	-168.3	-62.9	109.6	0	0	0	114.5	L242 W246 R467 I483	L242-W487 HydrophobicContact CD1-CE3 3.51Å; L242-W487 HydrophobicContact CD1-CZ3 3.64Å; L242-W487 HydrophobicContact CG-CE3 4.44Å; W246-W487 AromaticContact CH2-CD1 3.87Å; W246-W487 HydrophobicContact CH2-CD2 4.01Å; W246-W487 AromaticContact CH2-CE2 3.82Å; W246-W487 HydrophobicContact CH2-CG 4.03Å; W246-W487 HydrophobicContact CH2-CZ2 4.43Å; W246-W487 AromaticContact CH2-NE1 3.69Å; R467-W487 HydrophobicContact CG-CB 3.88Å; I483-W487 WeakPolarHBondContact O-CB 3.45Å; I483-W487 VanDerWaalsContact O-CD1 3.27Å; I483-W487 PolarHBondContact O-N 2.98Å
488	A	94.3	Very high	89.2	Confident	6 Å²	6	69.7 Å²	69.7	5%	0.05	33%	0.331	C	S	.	.			trans	-143.4	50	-179.7	0	0	0	0	0	113	F219 L484 K490 L491	F219-A488 HydrophobicContact CB-CB 4.06Å; F219-A488 HydrophobicContact CD1-CB 3.47Å; F219-A488 VanDerWaalsContact CD1-CB 3.47Å; F219-A488 HydrophobicContact CE1-CB 4.3Å; F219-A488 HydrophobicContact CG-CB 4.03Å; L484-A488 HydrophobicContact CD2-CB 3.98Å; L484-A488 PolarHBondContact O-N 3.03Å; L484-A488 WeakPolarHBondContact O-CA 3.28Å; L484-A488 VanDerWaalsContact O-CA 3.23Å; L484-A488 CarbonylContact O-C 3.02Å; L484-A488 HydrophobicContact CB-CB 4.5Å; A488-K490 VanDerWaalsContact C-N 3.26Å; A488-K490 PolarHBondContact O-N 3.46Å; A488-L491 HydrophobicContact CB-CB 4.24Å; A488-L491 WeakPolarHBondContact O-CB 3.42Å; A488-L491 PolarHBondContact O-N 3.26Å
489	P	92.4	Very high	89.1	Confident	74 Å²	74	69.1 Å²	69.1	48%	0.481	33%	0.326	S	S	.	.	H	α-helix	trans	-59.2	-34.8	-173.8	23.5	-34.6	0	0	0	113.6	L491 I492 E493	P489-L491 VanDerWaalsContact C-N 3.28Å; P489-L491 PolarHBondContact O-N 2.83Å; P489-I492 PolarHBondContact O-N 3.23Å; P489-E493 PolarHBondContact O-N 3.5Å
490	K	92	Very high	88.9	Confident	104 Å²	104	64.6 Å²	64.6	45%	0.452	31%	0.308	S	S	.	.	H	α-helix	trans	-63.8	-30.8	178.2	-72.5	-178.1	174.5	-179.1	0	113.2	T218 A488 I492 E493 Y494	T218-K490 HydrophobicContact CG2-CD 3.42Å; T218-K490 VanDerWaalsContact CG2-CD 3.42Å; A488-K490 VanDerWaalsContact C-N 3.26Å; A488-K490 PolarHBondContact O-N 3.46Å; K490-I492 VanDerWaalsContact C-N 3.34Å; K490-E493 PolarHBondContact O-N 2.97Å; K490-Y494 HydrophobicContact CB-CD2 4.17Å; K490-Y494 VanDerWaalsContact O-N 3.16Å; K490-Y494 PolarHBondContact O-N 2.97Å; K490-Y494 WeakPolarHBondContact O-CD2 3.36Å; K490-Y494 HydrophobicContact CG-CE2 4.2Å; K490-Y494 HydrophobicContact CB-CE2 4.13Å
491	L	93.8	Very high	88.7	Confident	0 Å²	0	64.3 Å²	64.3	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-61.3	-46.5	174.5	173.4	59.6	0	0	0	110.6	H210 F215 F219 L471 W480 L484 A488 P489 Y494 S495	H210-L491 HydrophobicContact CB-CD1 3.96Å; H210-L491 WeakPolarHBondContact ND1-CD1 3.35Å; F215-L491 HydrophobicContact CE1-CD1 4.33Å; F215-L491 HydrophobicContact CE2-CD1 3.93Å; F215-L491 HydrophobicContact CZ-CD1 3.8Å; F219-L491 HydrophobicContact CD1-CD2 3.88Å; F219-L491 HydrophobicContact CE1-CD2 3.7Å; L471-L491 HydrophobicContact CD1-CD2 3.96Å; L471-L491 HydrophobicContact CD2-CD2 4.32Å; W480-L491 HydrophobicContact CH2-CD1 4.25Å; W480-L491 HydrophobicContact CH2-CD2 4.16Å; W480-L491 HydrophobicContact CH2-CG 3.87Å; W480-L491 HydrophobicContact CZ3-CD2 3.9Å; W480-L491 HydrophobicContact CZ3-CG 4.05Å; L484-L491 HydrophobicContact CD2-CD2 4.31Å; A488-L491 HydrophobicContact CB-CB 4.24Å; A488-L491 WeakPolarHBondContact O-CB 3.42Å; A488-L491 PolarHBondContact O-N 3.26Å; P489-L491 VanDerWaalsContact C-N 3.28Å; P489-L491 PolarHBondContact O-N 2.83Å; L491-Y494 PolarHBondContact O-N 3.17Å; L491-S495 WeakPolarHBondContact O-CB 3.2Å; L491-S495 PolarHBondContact O-N 2.89Å
492	I	89.8	Confident	88.6	Confident	48 Å²	48	65.5 Å²	65.5	25%	0.246	32%	0.315	C	S	.	.	H	α-helix	trans	-67.5	-39	-179.7	-59.1	-176	0	0	0	111.3	W480 L484 T485 P489 K490 Y494	W480-I492 HydrophobicContact CE3-CG1 4.13Å; W480-I492 HydrophobicContact CG-CG2 4.23Å; W480-I492 HydrophobicContact CG-CG1 3.94Å; W480-I492 HydrophobicContact CG-CD1 4.02Å; W480-I492 HydrophobicContact CD2-CG1 3.81Å; W480-I492 HydrophobicContact CD2-CD1 4.32Å; W480-I492 HydrophobicContact CB-CG1 4.42Å; W480-I492 HydrophobicContact CB-CD1 3.97Å; L484-I492 HydrophobicContact CB-CD1 4.28Å; T485-I492 HydrophobicContact CG2-CD1 4.48Å; T485-I492 WeakPolarHBondContact OG1-CD1 3.37Å; P489-I492 PolarHBondContact O-N 3.23Å; K490-I492 VanDerWaalsContact C-N 3.34Å; I492-Y494 VanDerWaalsContact C-N 3.35Å
493	E	86.6	Confident	88.3	Confident	125 Å²	125	58.1 Å²	58.1	58%	0.584	28%	0.284	S	S	*	.	H	α-helix	trans	-63.1	-40.8	179.6	-172.6	-174.7	159.7	0	0	112.2	P489 K490	P489-E493 PolarHBondContact O-N 3.5Å; K490-E493 PolarHBondContact O-N 2.97Å
494	Y	83.9	Confident	87.9	Confident	94 Å²	94	59.1 Å²	59.1	37%	0.369	29%	0.288	S	S	.	.	H	α-helix	trans	-106.9	-10	-166.9	-63.6	-49.5	0	0	0	115.5	F215 K490 L491 I492	F215-Y494 HydrophobicContact CE1-CD2 4.3Å; K490-Y494 HydrophobicContact CB-CD2 4.17Å; K490-Y494 VanDerWaalsContact O-N 3.16Å; K490-Y494 PolarHBondContact O-N 2.97Å; K490-Y494 WeakPolarHBondContact O-CD2 3.36Å; K490-Y494 HydrophobicContact CG-CE2 4.2Å; K490-Y494 HydrophobicContact CB-CE2 4.13Å; L491-Y494 PolarHBondContact O-N 3.17Å; I492-Y494 VanDerWaalsContact C-N 3.35Å
495	S	77.7	Confident	87.4	Confident	6 Å²	6	63.3 Å²	63.3	4%	0.042	31%	0.309	C	S	.	.			trans	-130.3	124.5	-179.4	-169.5	0	0	0	0	111.5	P209 H210 W480 L491	P209-S495 WeakPolarHBondContact CB-OG 3.29Å; P209-S495 WeakPolarHBondContact O-CB 3.5Å; P209-S495 PolarHBondContact O-OG 3.27Å; H210-S495 PolarHBondContact CE1-OG 3.35Å; H210-S495 WeakPolarHBondContact ND1-CB 3.47Å; H210-S495 PolarHBondContact ND1-OG 3.12Å; W480-S495 VanDerWaalsContact CZ2-O 3.26Å; W480-S495 WeakPolarHBondContact CZ2-O 3.48Å; L491-S495 WeakPolarHBondContact O-CB 3.2Å; L491-S495 PolarHBondContact O-N 2.89Å
496	P	78.1	Confident	87.1	Confident	54 Å²	54	61.7 Å²	61.7	35%	0.351	29%	0.293	S	S	.	.			trans	-67.7	161.7	158.8	31.6	-32.9	0	0	0	109.7	H210	H210-P496 PolarHBondContact CE1-O 2.95Å
497	I	76.4	Confident	86.6	Confident	11 Å²	11	55.8 Å²	55.8	6%	0.056	27%	0.267	C	S	.	.			trans	-76.5	-46.9	170.5	-58	174.8	0	0	0	109.5	K479 W480	K479-I497 VanDerWaalsContact N-CD1 3.34Å; W480-I497 HydrophobicContact CE3-CD1 4.34Å; W480-I497 HydrophobicContact CZ3-CG1 4.38Å; W480-I497 VanDerWaalsContact CZ2-CG1 3.44Å; W480-I497 HydrophobicContact CZ2-CG1 3.44Å; W480-I497 HydrophobicContact CZ2-CD1 4.28Å; W480-I497 HydrophobicContact CH2-CG1 3.93Å; W480-I497 HydrophobicContact CE3-CG1 4.41Å; W480-I497 VanDerWaalsContact CE2-CG1 3.49Å; W480-I497 HydrophobicContact CD2-CG1 4Å; W480-I497 HydrophobicContact CD2-CD1 3.9Å; W480-I497 HydrophobicContact CG-CD1 4.17Å
498	Y	80	Confident	85.9	Confident	67 Å²	67	53.5 Å²	53.5	26%	0.263	26%	0.263	S	S	.	.			trans	-139.2	0	176.5	-64.7	-55.6	0	0	0	113	W267 E270 F271 H275 L475 N478	W267-Y498 AromaticContact CD1-CE1 3.79Å; W267-Y498 AromaticContact NE1-CE1 3.67Å; E270-Y498 HydrophobicContact CG-CE2 4.48Å; E270-Y498 WeakPolarHBondContact CG-OH 3.46Å; F271-Y498 HydrophobicContact CB-CE1 4.07Å; F271-Y498 AromaticContact CD2-CD1 3.51Å; F271-Y498 HydrophobicContact CD2-CD1 3.51Å; F271-Y498 AromaticContact CD2-CE1 3.86Å; F271-Y498 HydrophobicContact CD2-CE1 3.86Å; F271-Y498 HydrophobicContact CE2-CD1 4.18Å; F271-Y498 HydrophobicContact CG-CE1 4.49Å; H275-Y498 HydrophobicContact CB-CD1 4.38Å; H275-Y498 HydrophobicContact CB-CG 4.44Å; H275-Y498 AromaticContact CD2-CD1 3.97Å; H275-Y498 AromaticContact CD2-CD2 3.67Å; H275-Y498 AromaticContact CD2-CE1 3.85Å; H275-Y498 AromaticContact CD2-CE2 3.56Å; H275-Y498 AromaticContact CD2-CG 3.88Å; H275-Y498 AromaticContact CD2-CZ 3.67Å; H275-Y498 AromaticContact CE1-CD2 3.51Å; H275-Y498 AromaticContact CE1-CE2 3.85Å; H275-Y498 AromaticContact CG-CD2 3.93Å; H275-Y498 AromaticContact CG-CG 3.82Å; H275-Y498 AromaticContact ND1-CD2 3.84Å; H275-Y498 AromaticContact ND1-CG 3.97Å; H275-Y498 AromaticContact NE2-CD2 3.41Å; H275-Y498 WeakPolarHBondContact NE2-CD2 3.37Å; H275-Y498 AromaticContact NE2-CE2 3.27Å; H275-Y498 VanDerWaalsContact NE2-CE2 3.27Å; H275-Y498 WeakPolarHBondContact NE2-CE2 3.41Å; H275-Y498 AromaticContact NE2-CZ 3.83Å; L475-Y498 WeakPolarHBondContact O-CE2 3.42Å; L475-Y498 VanDerWaalsContact O-CZ 3.26Å; L475-Y498 PolarHBondContact O-OH 3.12Å; N478-Y498 HydrophobicContact CB-CD2 4.27Å; N478-Y498 WeakPolarHBondContact OD1-CD2 3.39Å; N478-Y498 HydrophobicContact CB-CE2 4.33Å

Retrieved 498 of 498 residues in 987.9 ms (Link to these results)

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