A0A077ZLE3_TRITR Loading...

18S rRNA aminocarboxypropyltransferase

Aminocarboxypropyltransferase that catalyzes the aminocarboxypropyl transfer on pseudouridine in 18S rRNA. It constitutes the last step in biosynthesis of the hypermodified N1-methyl-N3-(3-amino-3-carboxypropyl) pseudouridine (m1acp3-Psi).

AlphaFold DB , UniProt , Accession A0A077ZLE3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 234 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	42	Very low	51.1	Low	243 Å²	243	166.8 Å²	166.8	100%	1.197	82%	0.821	S	S	*	*				0	144.4	0	-82.4	-170.7	152.6	0	0	109.3
2	P	50.7	Low	50.7	Low	106 Å²	106	161.2 Å²	161.2	69%	0.688	81%	0.81	S	S	*	*				-123.6	175.3	-113.9	39.9	-29.2	0	0	0	115.5
3	K	51.4	Low	51.5	Low	173 Å²	173	161.9 Å²	161.9	75%	0.752	82%	0.818	S	S	*	*			trans	102.3	105.2	150.8	-64.9	-175.4	-173.6	177.4	0	115.7
4	K	54.8	Low	51.3	Low	187 Å²	187	157.6 Å²	157.6	81%	0.813	81%	0.81	S	S	*	*				87	139.4	76.2	-89.7	-173.6	-178.6	-175.5	0	109.7
5	S	57.6	Low	51.6	Low	87 Å²	87	157.7 Å²	157.7	61%	0.608	81%	0.813	S	S	*	*			cis	-171	155.5	-1.1	-53.6	0	0	0	0	109.1
6	K	54.6	Low	51.6	Low	198 Å²	198	154.2 Å²	154.2	86%	0.861	81%	0.806	S	S	*	*				41.7	139.4	130	-62.6	175.7	175.1	176.1	0	119.2
7	K	52.7	Low	51.8	Low	195 Å²	195	150.9 Å²	150.9	85%	0.848	80%	0.799	S	S	*	*				176.5	130.1	54.2	-144.7	171.9	177.8	-175.1	0	105.8
8	K	51.3	Low	51.8	Low	185 Å²	185	148.3 Å²	148.3	80%	0.804	80%	0.795	S	S	*	*				85.4	133.3	64.4	-115.3	-167.2	-175.4	-169.1	0	116.9
9	N	49.8	Very low	51.9	Low	141 Å²	141	148 Å²	148	75%	0.754	79%	0.794	S	S	*	*			trans	89.7	124.3	159.3	-56.9	-2.3	0	0	0	116.2
10	K	46.4	Very low	52.1	Low	203 Å²	203	145.1 Å²	145.1	88%	0.883	79%	0.785	S	S	*	*			cis	69.5	105.6	31.2	-163	174.9	-175.5	175.1	0	115.8
11	S	50.7	Low	51.9	Low	117 Å²	117	148.2 Å²	148.2	82%	0.818	79%	0.792	S	S	*	*			trans	-170.7	141	132.7	47	0	0	0	0	111
12	S	46	Very low	52.2	Low	99 Å²	99	140.4 Å²	140.4	69%	0.692	77%	0.773	S	S	*	*			trans	-79.9	156.5	174.9	44.4	0	0	0	0	112.1
13	D	61.8	Low	51.9	Low	171 Å²	171	141.2 Å²	141.2	91%	0.914	78%	0.781	S	S	*	*			trans	-154.8	149.9	146.5	-83.8	-40.4	0	0	0	110.4
14	S	48.9	Very low	51.8	Low	101 Å²	101	138 Å²	138	71%	0.706	78%	0.781	S	S	*	*			trans	-122.2	142.9	-167.5	45.7	0	0	0	0	110.8
15	D	55.2	Low	51.2	Low	160 Å²	160	134.5 Å²	134.5	86%	0.856	78%	0.78	S	S	*	*			trans	175.6	117.9	147.1	-98.9	-32	0	0	0	107.6
16	S	51.8	Low	50.7	Low	101 Å²	101	135.4 Å²	135.4	71%	0.706	79%	0.786	S	S	*	*				85.8	132.2	68.7	-161.3	0	0	0	0	114.5
17	S	54.3	Low	49.9	Very low	98 Å²	98	131.5 Å²	131.5	69%	0.685	78%	0.784	S	S	*	*			trans	106.7	104.9	153.5	-33.1	0	0	0	0	119.4
18	S	52.2	Low	49.6	Very low	104 Å²	104	127.2 Å²	127.2	73%	0.727	78%	0.778	S	S	*	*				57.7	121.9	125.3	-26.6	0	0	0	0	120.3
19	D	53.8	Low	49	Very low	143 Å²	143	124 Å²	124	77%	0.765	78%	0.78	S	S	*	*				162.5	141.3	76.2	-119.4	-49.6	0	0	0	113.5
20	S	57	Low	48.7	Very low	90 Å²	90	122.2 Å²	122.2	63%	0.629	78%	0.778	S	S	*	*			trans	68.7	108	142.1	-68	0	0	0	0	124.6
21	K	46.8	Very low	48.4	Very low	211 Å²	211	117.3 Å²	117.3	92%	0.917	77%	0.769	S	S	*	*				60.3	119.7	124	-63.1	-179.6	-177.9	174.5	0	121.2
22	G	47.7	Very low	48.1	Very low	79 Å²	79	117.3 Å²	117.3	81%	0.814	77%	0.769	S	S	*	*			trans	-174.4	106.1	157.1	0	0	0	0	0	112.7
23	S	45.7	Very low	47.9	Very low	122 Å²	122	116.6 Å²	116.6	85%	0.853	76%	0.764	S	S	*	*			trans	-83.2	139.9	-178.7	-45.7	0	0	0	0	112.6
24	S	48.6	Very low	46.8	Very low	107 Å²	107	115.7 Å²	115.7	75%	0.748	76%	0.759	S	S	*	*			trans	171.8	103.5	149.6	33	0	0	0	0	109.3
25	S	41.6	Very low	46.4	Very low	112 Å²	112	116.8 Å²	116.8	78%	0.783	76%	0.757	S	S	*	*				63	95.1	95.1	68.5	0	0	0	0	115.2
26	S	47.4	Very low	45.7	Very low	106 Å²	106	115 Å²	115	74%	0.741	76%	0.757	S	S	*	*			trans	174.2	93	141.4	37.7	0	0	0	0	109.2
27	S	39	Very low	45.5	Very low	116 Å²	116	113 Å²	113	81%	0.811	74%	0.743	S	S	*	*				51.8	85.5	94.3	68.9	0	0	0	0	114.3
28	S	46.1	Very low	44.9	Very low	105 Å²	105	117.7 Å²	117.7	73%	0.734	75%	0.754	S	S	*	*			trans	-164.2	62.4	146.5	47	0	0	0	0	110.4	S30	S28-S30 PolarHBondContact O-N 2.9Å
29	S	38.5	Very low	45.2	Very low	119 Å²	119	117.6 Å²	117.6	83%	0.832	74%	0.742	S	S	*	*			trans	-66.3	84.3	159.3	49.4	0	0	0	0	108.6	S31	S29-S31 PolarHBondContact O-N 3.13Å
30	S	44.3	Very low	46.4	Very low	102 Å²	102	116.9 Å²	116.9	71%	0.713	74%	0.738	S	S	*	*			trans	-78	76.8	167.8	28	0	0	0	0	108.1	S28 S32	S28-S30 PolarHBondContact O-N 2.9Å; S30-S32 VanDerWaalsContact C-N 3.31Å; S30-S32 PolarHBondContact O-N 3.26Å; S30-S32 PolarHBondContact O-OG 3.35Å
31	S	39.3	Very low	48.1	Very low	101 Å²	101	119.2 Å²	119.2	71%	0.706	73%	0.733	S	S	*	*			trans	-57.7	97	163	-169.3	0	0	0	0	107.6	S29 S33	S29-S31 PolarHBondContact O-N 3.13Å; S31-S33 PolarHBondContact O-N 3.4Å
32	S	45.4	Very low	50.5	Low	117 Å²	117	109.4 Å²	109.4	82%	0.818	69%	0.691	S	S	*	*			trans	-80.6	81.4	174.5	-55	0	0	0	0	107.1	S30	S30-S32 VanDerWaalsContact C-N 3.31Å; S30-S32 PolarHBondContact O-N 3.26Å; S30-S32 PolarHBondContact O-OG 3.35Å
33	S	41.6	Very low	52.8	Low	83 Å²	83	109.2 Å²	109.2	58%	0.58	68%	0.677	S	S	*	*			trans	-64.2	147.4	175	-48.2	0	0	0	0	111.3	S31	S31-S33 PolarHBondContact O-N 3.4Å
34	D	37	Very low	55.3	Low	153 Å²	153	103.6 Å²	103.6	82%	0.818	64%	0.637	S	S	*	*			trans	72.3	92	141	-90.6	-74.3	0	0	0	119.5
35	D	41.7	Very low	57.6	Low	123 Å²	123	98.6 Å²	98.6	66%	0.658	60%	0.602	S	S	*	*				167.3	84.9	92.6	-177.9	47	0	0	0	107.9	S37	D35-S37 VanDerWaalsContact C-N 3.25Å; D35-S37 PolarHBondContact O-N 2.76Å; D35-S37 PolarHBondContact OD2-OG 3.08Å
36	S	39.7	Very low	60.2	Low	122 Å²	122	93.3 Å²	93.3	85%	0.853	57%	0.565	S	S	*	*			trans	-94.3	61.9	168	47.6	0	0	0	0	109	Q38	S36-Q38 PolarHBondContact O-N 2.87Å
37	S	47.9	Very low	62.4	Low	59 Å²	59	88.3 Å²	88.3	41%	0.413	53%	0.53	S	S	.	.			trans	-60.9	119.4	156.9	45.1	0	0	0	0	106.8	D35 E39	D35-S37 VanDerWaalsContact C-N 3.25Å; D35-S37 PolarHBondContact O-N 2.76Å; D35-S37 PolarHBondContact OD2-OG 3.08Å; S37-E39 PolarHBondContact O-N 2.84Å
38	Q	42.2	Very low	64.9	Low	198 Å²	198	84.6 Å²	84.6	93%	0.925	50%	0.501	S	S	*	.			trans	-67.6	76.9	171.4	-73	-156.1	-44.8	0	0	108.3	S36 D40	S36-Q38 PolarHBondContact O-N 2.87Å; Q38-D40 PolarHBondContact O-N 2.85Å
39	E	58.5	Low	66.8	Low	101 Å²	101	81.1 Å²	81.1	47%	0.472	47%	0.473	S	S	.	.	P	Polyproline II helix	trans	-64.5	130.6	171.3	-67.7	-169.5	145.3	0	0	108.6	S37 R41	S37-E39 PolarHBondContact O-N 2.84Å; E39-R41 PolarHBondContact O-N 3.48Å
40	D	77.7	Confident	69	Low	128 Å²	128	83.7 Å²	83.7	68%	0.684	47%	0.469	S	S	*	.	P	Polyproline II helix	trans	-50.2	122.1	174.4	-72.9	-40.8	0	0	0	110.3	Q38 V42 F161	Q38-D40 PolarHBondContact O-N 2.85Å; D40-V42 PolarHBondContact O-N 3.27Å; D40-F161 VanDerWaalsContact O-CE1 3.31Å; D40-F161 WeakPolarHBondContact O-CE1 3.24Å
41	R	93.2	Very high	70.8	Confident	139 Å²	139	81.4 Å²	81.4	53%	0.525	45%	0.447	S	S	.	.	P	Polyproline II helix	trans	-66.5	132.7	176.8	-66.7	-177.6	79.9	116.1	4.2	109.6	E39 E67 E167	E39-R41 PolarHBondContact O-N 3.48Å; R41-E67 IonicContact NH2-OE2 3.08Å; R41-E167 IonicContact CZ-OE2 3.16Å; R41-E167 IonicContact NH1-OE2 2.75Å; R41-E167 PolarHBondContact NH1-OE2 2.98Å; R41-E167 IonicContact NH2-OE2 2.82Å; R41-E167 PolarHBondContact NH2-OE2 2.88Å
42	V	96.7	Very high	72.9	Confident	6 Å²	6	78.4 Å²	78.4	4%	0.036	43%	0.426	C	S	.	.	P	Polyproline II helix	trans	-73.7	129.9	175.8	178.3	0	0	0	0	109.7	D40 L44 I98 L103 L156 F161 Q164	D40-V42 PolarHBondContact O-N 3.27Å; V42-L44 HydrophobicContact CG1-CD2 4.17Å; V42-L44 PolarHBondContact O-N 3.48Å; V42-I98 HydrophobicContact CB-CG2 4.43Å; V42-I98 HydrophobicContact CG1-CG2 3.6Å; V42-I98 HydrophobicContact CG2-CG2 3.86Å; V42-L103 HydrophobicContact CG1-CB 4.45Å; V42-L103 HydrophobicContact CG1-CD1 4.16Å; V42-L103 HydrophobicContact CG1-CG 4.2Å; V42-L156 HydrophobicContact CB-CD2 3.72Å; V42-L156 HydrophobicContact CG1-CD2 4.19Å; V42-L156 HydrophobicContact CG2-CD2 3.87Å; V42-F161 HydrophobicContact CG2-CD1 3.74Å; V42-F161 HydrophobicContact CG2-CD2 3.5Å; V42-F161 HydrophobicContact CG2-CE1 3.63Å; V42-F161 HydrophobicContact CG2-CE2 3.4Å; V42-F161 HydrophobicContact CG2-CG 3.67Å; V42-F161 HydrophobicContact CG2-CZ 3.46Å; V42-F161 VanDerWaalsContact CG2-CZ 3.46Å; V42-Q164 PolarHBondContact O-NE2 3.45Å
43	C	96.8	Very high	74.7	Confident	75 Å²	75	77 Å²	77	51%	0.507	41%	0.409	S	S	.	.	P	Polyproline II helix	trans	-65.7	129	171.9	-178.2	0	0	0	0	110.6	G102 L103	C43-G102 CarbonylContact O-C 3.58Å; C43-G102 WeakPolarHBondContact O-CA 3.48Å; C43-L103 PolarHBondContact O-N 3.05Å
44	L	97.9	Very high	76.7	Confident	4 Å²	4	76.3 Å²	76.3	2%	0.021	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	135.1	178.3	-52.4	-178.2	0	0	0	110.5	V42 V68 T69 L103 F152 L156 L168	V42-L44 HydrophobicContact CG1-CD2 4.17Å; V42-L44 PolarHBondContact O-N 3.48Å; L44-V68 HydrophobicContact CB-CB 4.34Å; L44-V68 HydrophobicContact CB-CG1 4.31Å; L44-V68 HydrophobicContact CB-CG2 3.77Å; L44-V68 HydrophobicContact CD1-CG2 4.13Å; L44-V68 WeakPolarHBondContact O-CA 3.3Å; L44-T69 PolarHBondContact O-N 3.34Å; L44-L103 CarbonylContact C-O 3.52Å; L44-L103 WeakPolarHBondContact CA-O 3.47Å; L44-L103 HydrophobicContact CD2-CB 3.95Å; L44-L103 HydrophobicContact CD2-CD1 4.38Å; L44-F152 HydrophobicContact CB-CD1 4.47Å; L44-F152 HydrophobicContact CB-CE1 4.05Å; L44-F152 HydrophobicContact CB-CZ 4.2Å; L44-F152 HydrophobicContact CD1-CD1 4.36Å; L44-F152 HydrophobicContact CD1-CG 4.35Å; L44-F152 HydrophobicContact CD2-CD1 3.77Å; L44-F152 HydrophobicContact CD2-CE1 3.99Å; L44-F152 HydrophobicContact CG-CD1 4.43Å; L44-F152 HydrophobicContact CG-CE1 4.47Å; L44-L156 HydrophobicContact CD1-CD1 4.34Å; L44-L156 HydrophobicContact CD2-CD1 4.42Å; L44-L156 HydrophobicContact CD2-CD2 4.32Å; L44-L168 HydrophobicContact CD1-CD1 4.16Å; L44-L168 HydrophobicContact CD1-CD2 4.4Å
45	A	97.2	Very high	78.9	Confident	2 Å²	2	78.4 Å²	78.4	2%	0.017	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	153	179.6	0	0	0	0	0	112.3	V68 T69 L71 F77 L103 A104 V105 F152	A45-V68 VanDerWaalsContact C-CG1 3.46Å; A45-T69 CarbonylContact C-O 3.59Å; A45-T69 VanDerWaalsContact CA-O 3.25Å; A45-T69 WeakPolarHBondContact CA-O 3.39Å; A45-L71 HydrophobicContact CB-CD1 3.76Å; A45-L71 HydrophobicContact CB-CD2 4.19Å; A45-L71 HydrophobicContact CB-CG 3.89Å; A45-F77 HydrophobicContact CB-CD2 4.01Å; A45-F77 HydrophobicContact CB-CE2 3.63Å; A45-F77 HydrophobicContact CB-CZ 4.26Å; A45-L103 PolarHBondContact N-O 2.79Å; A45-A104 HydrophobicContact CB-CB 4.3Å; A45-A104 CarbonylContact O-C 3.48Å; A45-A104 WeakPolarHBondContact O-CA 3.38Å; A45-V105 PolarHBondContact O-N 3.03Å; A45-V105 VanDerWaalsContact O-N 3.11Å; A45-F152 VanDerWaalsContact O-CZ 3.3Å; A45-F152 WeakPolarHBondContact O-CZ 3.41Å
46	L	95.5	Very high	81	Confident	0 Å²	0	81 Å²	81	0%	0	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	150.2	174	70.1	77.9	0	0	0	112.7	N48 V63 V68 T69 L71 V105 D107	L46-N48 HydrophobicContact CD1-CB 3.67Å; L46-V63 HydrophobicContact CD1-CG2 4.08Å; L46-V63 HydrophobicContact CD2-CG2 3.64Å; L46-V63 HydrophobicContact CG-CG2 3.89Å; L46-V68 HydrophobicContact CB-CG1 3.87Å; L46-V68 HydrophobicContact CD2-CB 4.39Å; L46-V68 HydrophobicContact CD2-CG1 3.74Å; L46-V68 HydrophobicContact CG-CG1 3.7Å; L46-T69 PolarHBondContact N-O 3.46Å; L46-L71 WeakPolarHBondContact O-CB 3.05Å; L46-L71 PolarHBondContact O-N 2.74Å; L46-V105 VanDerWaalsContact CA-O 3.28Å; L46-V105 WeakPolarHBondContact CA-O 3.4Å; L46-V105 HydrophobicContact CB-CG2 3.65Å; L46-D107 HydrophobicContact CD1-CB 4.27Å
47	W	94	Very high	83.5	Confident	2 Å²	2	75.7 Å²	75.7	1%	0.008	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	122.9	162.4	-65.9	-86.4	0	0	0	109.2	F49 L71 R72 A75 F77 T81 A104 V105 I106 D107 V121	W47-F49 HydrophobicContact CB-CE2 4.37Å; W47-L71 HydrophobicContact CD2-CB 4.42Å; W47-L71 HydrophobicContact CD2-CD1 3.97Å; W47-L71 HydrophobicContact CE3-CD1 4.36Å; W47-L71 HydrophobicContact CG-CB 4.21Å; W47-L71 HydrophobicContact CH2-CD1 4.12Å; W47-L71 HydrophobicContact CZ2-CD1 3.64Å; W47-L71 HydrophobicContact CZ3-CD1 4.42Å; W47-R72 VanDerWaalsContact CD1-O 3.27Å; W47-R72 PolarHBondContact NE1-O 3.17Å; W47-A75 PolarHBondContact NE1-O 3.05Å; W47-F77 HydrophobicContact CH2-CB 3.41Å; W47-F77 VanDerWaalsContact CH2-CB 3.41Å; W47-F77 HydrophobicContact CH2-CG 4.24Å; W47-F77 HydrophobicContact CZ2-CB 3.65Å; W47-F77 HydrophobicContact CZ3-CB 4.45Å; W47-T81 HydrophobicContact CZ3-CG2 3.74Å; W47-A104 HydrophobicContact CE3-CB 4.38Å; W47-A104 HydrophobicContact CH2-CB 4.24Å; W47-A104 HydrophobicContact CZ3-CB 3.67Å; W47-V105 PolarHBondContact N-O 3.37Å; W47-V105 VanDerWaalsContact N-O 3.08Å; W47-I106 HydrophobicContact CE3-CG1 3.94Å; W47-D107 PolarHBondContact O-N 3.2Å; W47-V121 HydrophobicContact CB-CG2 4.26Å; W47-V121 HydrophobicContact CD2-CG1 3.51Å; W47-V121 HydrophobicContact CD2-CG2 4.32Å; W47-V121 HydrophobicContact CE3-CG1 3.82Å; W47-V121 HydrophobicContact CG-CG1 4.05Å; W47-V121 HydrophobicContact CG-CG2 4.02Å; W47-V121 HydrophobicContact CH2-CG1 3.77Å; W47-V121 HydrophobicContact CZ2-CG1 3.52Å; W47-V121 HydrophobicContact CZ3-CG1 3.94Å
48	N	91.1	Very high	85.6	Confident	37 Å²	37	73.6 Å²	73.6	20%	0.198	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	111.4	179.5	-169.8	-12.7	0	0	0	110.9	L46 K50 S60	L46-N48 HydrophobicContact CD1-CB 3.67Å; N48-K50 VanDerWaalsContact C-N 3.31Å; N48-K50 WeakPolarHBondContact OD1-CA 3.49Å; N48-K50 PolarHBondContact OD1-N 3.18Å; N48-S60 PolarHBondContact ND2-OG 3.11Å
49	F	86.7	Confident	88	Confident	33 Å²	33	64.1 Å²	64.1	15%	0.145	32%	0.319	C	S	.	.			trans	-83.9	-5.2	175.6	-81.8	-98.7	0	0	0	113.5	W47 H51 I106 D107 T116 Q117 V121	W47-F49 HydrophobicContact CB-CE2 4.37Å; F49-H51 PolarHBondContact O-CD2 2.92Å; F49-H51 PolarHBondContact O-N 3.33Å; F49-I106 HydrophobicContact CD2-CG2 3.66Å; F49-I106 HydrophobicContact CE2-CG2 3.58Å; F49-D107 PolarHBondContact N-O 2.96Å; F49-T116 HydrophobicContact CD1-CG2 4.12Å; F49-T116 HydrophobicContact CD2-CG2 4.29Å; F49-T116 HydrophobicContact CE1-CG2 4.24Å; F49-T116 HydrophobicContact CE2-CG2 4.41Å; F49-T116 HydrophobicContact CG-CG2 4.13Å; F49-T116 HydrophobicContact CZ-CG2 4.36Å; F49-Q117 HydrophobicContact CE1-CB 4.4Å; F49-V121 HydrophobicContact CE2-CG2 3.66Å; F49-V121 HydrophobicContact CZ-CG2 3.65Å
50	K	84.4	Confident	89.6	Confident	173 Å²	173	60.4 Å²	60.4	75%	0.752	30%	0.304	S	S	*	.			trans	59.1	28.5	178.6	-55.1	-178.9	179.5	179.4	0	114.1	N48 C52	N48-K50 VanDerWaalsContact C-N 3.31Å; N48-K50 WeakPolarHBondContact OD1-CA 3.49Å; N48-K50 PolarHBondContact OD1-N 3.18Å; K50-C52 VanDerWaalsContact C-N 3.31Å
51	H	82.3	Confident	90.4	Very high	53 Å²	53	58.3 Å²	58.3	25%	0.245	29%	0.289	C	S	.	.			trans	-79.8	-14.6	175.8	-66.9	-177.5	0	0	0	113	F49 Q112 T116	F49-H51 PolarHBondContact O-CD2 2.92Å; F49-H51 PolarHBondContact O-N 3.33Å; H51-Q112 HydrophobicContact CB-CB 4.48Å; H51-Q112 PolarHBondContact ND1-OE1 2.86Å; H51-T116 PolarHBondContact CE1-OG1 2.87Å; H51-T116 PolarHBondContact ND1-OG1 3.17Å; H51-T116 VanDerWaalsContact ND1-OG1 3.13Å
52	C	82.7	Confident	90.5	Very high	39 Å²	39	51.7 Å²	51.7	26%	0.264	26%	0.264	S	S	.	.	S	Bend	trans	-106.3	149.4	-179	-61.6	0	0	0	0	110.8	K50 A54 C57 S109	K50-C52 VanDerWaalsContact C-N 3.31Å; C52-A54 PolarHBondContact O-N 3.11Å; C52-C57 HydrophobicContact CB-CB 3.71Å; C52-S109 VanDerWaalsContact SG-CA 3.55Å; C52-S109 PolarHBondContact SG-N 3.08Å; C52-S109 VanDerWaalsContact SG-N 3.38Å
53	D	84.7	Confident	90.5	Very high	88 Å²	88	53.3 Å²	53.3	47%	0.471	27%	0.274	S	S	.	.			trans	-59.7	118.4	165.1	176.1	-1.7	0	0	0	109.5	K55 K56 C57	D53-K55 PolarHBondContact O-N 3.08Å; D53-K55 WeakPolarHBondContact OD1-CB 3.38Å; D53-K55 PolarHBondContact OD1-N 3.03Å; D53-K56 HydrophobicContact CB-CB 4.5Å; D53-K56 PolarHBondContact O-N 2.83Å; D53-C57 WeakPolarHBondContact O-CB 3.5Å; D53-C57 PolarHBondContact O-N 2.86Å
54	A	83.2	Confident	90.3	Very high	67 Å²	67	58.1 Å²	58.1	55%	0.554	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-25	-177.2	0	0	0	0	0	113.5	C52	C52-A54 PolarHBondContact O-N 3.11Å
55	K	83.5	Confident	90.1	Very high	198 Å²	198	60.9 Å²	60.9	86%	0.861	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-30.3	177.3	-66.2	-178.9	-179.6	176	0	112.9	D53	D53-K55 PolarHBondContact O-N 3.08Å; D53-K55 WeakPolarHBondContact OD1-CB 3.38Å; D53-K55 PolarHBondContact OD1-N 3.03Å
56	K	85.8	Confident	89.9	Confident	178 Å²	178	68 Å²	68	77%	0.774	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.3	-23.7	-177.7	-62.2	-178.2	-176.2	177.8	0	112.1	D53 S58	D53-K56 HydrophobicContact CB-CB 4.5Å; D53-K56 PolarHBondContact O-N 2.83Å; K56-S58 PolarHBondContact O-N 3.08Å
57	C	90.5	Very high	89.9	Confident	10 Å²	10	70.3 Å²	70.3	7%	0.068	35%	0.349	C	S	.	.			trans	-68.3	123.2	-177	-175.5	0	0	0	0	112.2	C52 D53 G59 K61 D107	C52-C57 HydrophobicContact CB-CB 3.71Å; D53-C57 WeakPolarHBondContact O-CB 3.5Å; D53-C57 PolarHBondContact O-N 2.86Å; C57-G59 PolarHBondContact SG-N 2.78Å; C57-K61 PolarHBondContact O-N 2.88Å; C57-K61 VanDerWaalsContact O-N 3.13Å; C57-D107 PolarHBondContact SG-OD1 2.82Å; C57-D107 PolarHBondContact SG-OD2 3.38Å
58	S	93	Very high	90	Very high	14 Å²	14	70.5 Å²	70.5	10%	0.098	35%	0.351	C	S	.	.	H	α-helix	trans	-63.2	-40.1	174.5	63.5	0	0	0	0	112.5	K56 K61 L62 S147 C148 A149	K56-S58 PolarHBondContact O-N 3.08Å; S58-K61 WeakPolarHBondContact O-CB 3.28Å; S58-K61 PolarHBondContact O-N 3.43Å; S58-L62 WeakPolarHBondContact O-CG 3.37Å; S58-L62 PolarHBondContact O-N 2.75Å; S58-S147 WeakPolarHBondContact OG-CB 3.25Å; S58-C148 PolarHBondContact OG-N 2.89Å; S58-A149 PolarHBondContact OG-N 3.13Å
59	G	92.6	Very high	90.3	Very high	0 Å²	0	72.8 Å²	72.8	0%	0	37%	0.366	C	S	.	.	H	α-helix	trans	-61	-48.5	177.3	0	0	0	0	0	112.2	C57 K61 L62 V63	C57-G59 PolarHBondContact SG-N 2.78Å; G59-K61 VanDerWaalsContact C-N 3.28Å; G59-K61 PolarHBondContact O-N 2.89Å; G59-L62 PolarHBondContact O-N 2.9Å; G59-L62 VanDerWaalsContact O-N 3.13Å; G59-V63 WeakPolarHBondContact O-CG2 3.43Å; G59-V63 PolarHBondContact O-N 3.49Å
60	S	92.6	Very high	90.7	Very high	22 Å²	22	74.3 Å²	74.3	15%	0.154	38%	0.38	C	S	.	.	H	α-helix	trans	-60	-37.3	175.6	-64.3	0	0	0	0	112.6	N48 K64	N48-S60 PolarHBondContact ND2-OG 3.11Å; S60-K64 WeakPolarHBondContact O-CB 3.09Å; S60-K64 PolarHBondContact O-N 2.72Å
61	K	94.4	Very high	91.1	Very high	84 Å²	84	67.7 Å²	67.7	37%	0.365	35%	0.353	S	S	.	.	H	α-helix	trans	-65.9	-40.2	174.7	-168.7	179.9	-173.4	-174.3	0	112.6	C57 S58 G59 K64 N65 K171 F172	C57-K61 PolarHBondContact O-N 2.88Å; C57-K61 VanDerWaalsContact O-N 3.13Å; S58-K61 WeakPolarHBondContact O-CB 3.28Å; S58-K61 PolarHBondContact O-N 3.43Å; G59-K61 VanDerWaalsContact C-N 3.28Å; G59-K61 PolarHBondContact O-N 2.89Å; K61-K64 PolarHBondContact O-N 2.95Å; K61-N65 WeakPolarHBondContact O-CB 3.24Å; K61-N65 PolarHBondContact O-N 3.18Å; K61-N65 VanDerWaalsContact O-N 3.09Å; K61-K171 PolarHBondContact NZ-O 2.83Å; K61-F172 HydrophobicContact CB-CE1 4.39Å; K61-F172 HydrophobicContact CD-CD1 4.19Å; K61-F172 HydrophobicContact CD-CE1 3.65Å; K61-F172 HydrophobicContact CD-CZ 4.19Å; K61-F172 HydrophobicContact CG-CE1 4.47Å
62	L	95.8	Very high	91.6	Very high	0 Å²	0	74.9 Å²	74.9	0%	0	38%	0.378	C	S	.	.	H	α-helix	trans	-64.6	-40.9	177.7	-70.5	-179.6	0	0	0	112.2	S58 G59 N65 N66 E67 V68 A149 F152 L168 K171 F172	S58-L62 WeakPolarHBondContact O-CG 3.37Å; S58-L62 PolarHBondContact O-N 2.75Å; G59-L62 PolarHBondContact O-N 2.9Å; G59-L62 VanDerWaalsContact O-N 3.13Å; L62-N65 CarbonylContact O-C 3.53Å; L62-N65 PolarHBondContact O-N 2.93Å; L62-N66 PolarHBondContact O-N 3.15Å; L62-E67 HydrophobicContact CD2-CB 4.34Å; L62-E67 PolarHBondContact O-N 3.11Å; L62-E67 VanDerWaalsContact O-N 3.08Å; L62-V68 HydrophobicContact CB-CB 4.15Å; L62-V68 HydrophobicContact CB-CG2 3.66Å; L62-V68 HydrophobicContact CD1-CG2 3.89Å; L62-V68 HydrophobicContact CG-CG2 4.35Å; L62-A149 HydrophobicContact CD1-CB 3.97Å; L62-F152 HydrophobicContact CD1-CD2 3.94Å; L62-F152 HydrophobicContact CD1-CE2 4.31Å; L62-L168 HydrophobicContact CD1-CD1 4.11Å; L62-L168 HydrophobicContact CD1-CD2 4.38Å; L62-L168 HydrophobicContact CD1-CG 4.45Å; L62-L168 HydrophobicContact CD2-CD1 3.39Å; L62-L168 HydrophobicContact CD2-CG 3.98Å; L62-L168 HydrophobicContact CG-CD1 4.35Å; L62-K171 HydrophobicContact CD2-CD 4.27Å; L62-F172 HydrophobicContact CD2-CE2 3.85Å; L62-F172 HydrophobicContact CD2-CZ 3.96Å; L62-F172 HydrophobicContact CG-CE2 4.45Å; L62-F172 HydrophobicContact CG-CZ 4.15Å
63	V	94.8	Very high	91.8	Very high	41 Å²	41	76 Å²	76	25%	0.248	38%	0.384	C	S	.	.	H	α-helix	trans	-63.1	-46.1	174.1	174.3	0	0	0	0	110.8	L46 G59 N65 N66 V68 C70	L46-V63 HydrophobicContact CD1-CG2 4.08Å; L46-V63 HydrophobicContact CD2-CG2 3.64Å; L46-V63 HydrophobicContact CG-CG2 3.89Å; G59-V63 WeakPolarHBondContact O-CG2 3.43Å; G59-V63 PolarHBondContact O-N 3.49Å; V63-N65 PolarHBondContact O-N 3.43Å; V63-N66 PolarHBondContact O-N 3.17Å; V63-V68 HydrophobicContact CG2-CB 4.44Å; V63-C70 HydrophobicContact CG1-CB 4.01Å; V63-C70 HydrophobicContact CG2-CB 4.09Å
64	K	94.1	Very high	91.9	Very high	175 Å²	175	76.6 Å²	76.6	76%	0.761	39%	0.394	S	S	*	.	H	α-helix	trans	-59.1	-31.3	177.8	-175.8	176.5	178.4	179.2	0	112.8	S60 K61 N66	S60-K64 WeakPolarHBondContact O-CB 3.09Å; S60-K64 PolarHBondContact O-N 2.72Å; K61-K64 PolarHBondContact O-N 2.95Å; K64-N66 VanDerWaalsContact C-N 3.34Å
65	N	93.5	Very high	92.3	Very high	63 Å²	63	74.8 Å²	74.8	34%	0.337	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.6	12.2	-179.9	-67.9	-1.5	0	0	0	113.3	K61 L62 V63 E67 K171	K61-N65 WeakPolarHBondContact O-CB 3.24Å; K61-N65 PolarHBondContact O-N 3.18Å; K61-N65 VanDerWaalsContact O-N 3.09Å; L62-N65 CarbonylContact O-C 3.53Å; L62-N65 PolarHBondContact O-N 2.93Å; V63-N65 PolarHBondContact O-N 3.43Å; N65-E67 PolarHBondContact O-N 3.38Å; N65-K171 HydrophobicContact CB-CD 4.49Å
66	N	93.8	Very high	92.6	Very high	151 Å²	151	70 Å²	70	81%	0.807	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.5	25.2	179.8	-59.6	-38.1	0	0	0	115.4	L62 V63 K64	L62-N66 PolarHBondContact O-N 3.15Å; V63-N66 PolarHBondContact O-N 3.17Å; K64-N66 VanDerWaalsContact C-N 3.34Å
67	E	94.8	Very high	93	Very high	49 Å²	49	62.4 Å²	62.4	23%	0.229	33%	0.327	C	S	.	.	S	Bend	trans	-86.9	-26.6	175.1	-67.7	-64.3	155.5	0	0	112.8	R41 L62 N65 L168 K171	R41-E67 IonicContact NH2-OE2 3.08Å; L62-E67 HydrophobicContact CD2-CB 4.34Å; L62-E67 PolarHBondContact O-N 3.11Å; L62-E67 VanDerWaalsContact O-N 3.08Å; N65-E67 PolarHBondContact O-N 3.38Å; E67-L168 HydrophobicContact CB-CD1 3.99Å; E67-L168 HydrophobicContact CG-CD1 4.2Å; E67-K171 VanDerWaalsContact CD-CE 3.43Å; E67-K171 HydrophobicContact CG-CD 3.93Å; E67-K171 WeakPolarHBondContact OE1-CE 3.01Å; E67-K171 IonicContact OE1-NZ 2.57Å; E67-K171 PolarHBondContact OE1-NZ 3.03Å
68	V	96.5	Very high	93.2	Very high	6 Å²	6	69.7 Å²	69.7	4%	0.036	35%	0.353	C	S	.	.	S	Bend	trans	-132.9	131.9	-173.4	-178.1	0	0	0	0	109.3	L44 A45 L46 L62 V63 F152	L44-V68 HydrophobicContact CB-CB 4.34Å; L44-V68 HydrophobicContact CB-CG1 4.31Å; L44-V68 HydrophobicContact CB-CG2 3.77Å; L44-V68 HydrophobicContact CD1-CG2 4.13Å; L44-V68 WeakPolarHBondContact O-CA 3.3Å; A45-V68 VanDerWaalsContact C-CG1 3.46Å; L46-V68 HydrophobicContact CB-CG1 3.87Å; L46-V68 HydrophobicContact CD2-CB 4.39Å; L46-V68 HydrophobicContact CD2-CG1 3.74Å; L46-V68 HydrophobicContact CG-CG1 3.7Å; L62-V68 HydrophobicContact CB-CB 4.15Å; L62-V68 HydrophobicContact CB-CG2 3.66Å; L62-V68 HydrophobicContact CD1-CG2 3.89Å; L62-V68 HydrophobicContact CG-CG2 4.35Å; V63-V68 HydrophobicContact CG2-CB 4.44Å; V68-F152 HydrophobicContact CG1-CE2 4.13Å; V68-F152 HydrophobicContact CG1-CZ 4.04Å; V68-F152 HydrophobicContact CG2-CD2 4.32Å; V68-F152 HydrophobicContact CG2-CE2 3.79Å; V68-F152 HydrophobicContact CG2-CZ 4.23Å
69	T	96	Very high	93.3	Very high	85 Å²	85	69 Å²	69	52%	0.521	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	125	175.1	-60.1	0	0	0	0	110.4	L44 A45 L46 L71	L44-T69 PolarHBondContact O-N 3.34Å; A45-T69 CarbonylContact C-O 3.59Å; A45-T69 VanDerWaalsContact CA-O 3.25Å; A45-T69 WeakPolarHBondContact CA-O 3.39Å; L46-T69 PolarHBondContact N-O 3.46Å; T69-L71 PolarHBondContact O-N 3.33Å
70	C	95.1	Very high	93.5	Very high	64 Å²	64	69 Å²	69	43%	0.432	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	116.7	172.6	-169.2	0	0	0	0	110.3	V63	V63-C70 HydrophobicContact CG1-CB 4.01Å; V63-C70 HydrophobicContact CG2-CB 4.09Å
71	L	94.4	Very high	93.7	Very high	35 Å²	35	68 Å²	68	18%	0.183	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	147.6	176.9	-61.4	177.4	0	0	0	110.9	A45 L46 W47 T69 A75 F77	A45-L71 HydrophobicContact CB-CD1 3.76Å; A45-L71 HydrophobicContact CB-CD2 4.19Å; A45-L71 HydrophobicContact CB-CG 3.89Å; L46-L71 WeakPolarHBondContact O-CB 3.05Å; L46-L71 PolarHBondContact O-N 2.74Å; W47-L71 HydrophobicContact CD2-CB 4.42Å; W47-L71 HydrophobicContact CD2-CD1 3.97Å; W47-L71 HydrophobicContact CE3-CD1 4.36Å; W47-L71 HydrophobicContact CG-CB 4.21Å; W47-L71 HydrophobicContact CH2-CD1 4.12Å; W47-L71 HydrophobicContact CZ2-CD1 3.64Å; W47-L71 HydrophobicContact CZ3-CD1 4.42Å; T69-L71 PolarHBondContact O-N 3.33Å; L71-A75 HydrophobicContact CB-CB 4.25Å; L71-F77 HydrophobicContact CD1-CB 4.11Å; L71-F77 HydrophobicContact CD1-CD2 4.02Å; L71-F77 HydrophobicContact CD1-CG 4.33Å
72	R	91.8	Very high	93.8	Very high	203 Å²	203	64.4 Å²	64.4	77%	0.766	33%	0.326	S	S	*	.	P	Polyproline II helix	trans	-68.4	149	165.1	-63.8	-175.8	176.4	96.5	-1.1	109	W47 S74 A75	W47-R72 VanDerWaalsContact CD1-O 3.27Å; W47-R72 PolarHBondContact NE1-O 3.17Å; R72-S74 PolarHBondContact O-N 3.2Å; R72-S74 VanDerWaalsContact O-N 3.13Å; R72-A75 HydrophobicContact CB-CB 4.33Å; R72-A75 VanDerWaalsContact O-CB 3.24Å; R72-A75 WeakPolarHBondContact O-CB 3.4Å; R72-A75 PolarHBondContact O-N 3.1Å
73	T	87.6	Confident	93.6	Very high	64 Å²	64	64.7 Å²	64.7	39%	0.393	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-35.5	179.7	-47.1	0	0	0	0	112.9	K120	T73-K120 HydrophobicContact CG2-CB 3.76Å
74	S	86.9	Confident	93.3	Very high	99 Å²	99	65.5 Å²	65.5	69%	0.692	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-9.6	177.9	57.2	0	0	0	0	114.8	R72	R72-S74 PolarHBondContact O-N 3.2Å; R72-S74 VanDerWaalsContact O-N 3.13Å
75	A	91.2	Very high	92.9	Very high	30 Å²	30	60.2 Å²	60.2	25%	0.248	32%	0.316	C	S	.	.			trans	-70.7	134.6	-176.8	0	0	0	0	0	110.6	W47 L71 R72	W47-A75 PolarHBondContact NE1-O 3.05Å; L71-A75 HydrophobicContact CB-CB 4.25Å; R72-A75 HydrophobicContact CB-CB 4.33Å; R72-A75 VanDerWaalsContact O-CB 3.24Å; R72-A75 WeakPolarHBondContact O-CB 3.4Å; R72-A75 PolarHBondContact O-N 3.1Å
76	H	90.3	Very high	92.7	Very high	98 Å²	98	57.7 Å²	57.7	45%	0.454	31%	0.306	S	S	.	.			trans	-88.3	133.5	174.2	175.4	56.1	0	0	0	110.4	S124	H76-S124 PolarHBondContact CE1-OG 3.05Å
77	F	93.7	Very high	92.3	Very high	18 Å²	18	60.3 Å²	60.3	8%	0.079	31%	0.31	C	S	.	.	B	Isolated β-bridge	trans	-111.4	124	175.6	-171.1	-107.5	0	0	0	110.2	A45 W47 L71 H101 A104	A45-F77 HydrophobicContact CB-CD2 4.01Å; A45-F77 HydrophobicContact CB-CE2 3.63Å; A45-F77 HydrophobicContact CB-CZ 4.26Å; W47-F77 HydrophobicContact CH2-CB 3.41Å; W47-F77 VanDerWaalsContact CH2-CB 3.41Å; W47-F77 HydrophobicContact CH2-CG 4.24Å; W47-F77 HydrophobicContact CZ2-CB 3.65Å; W47-F77 HydrophobicContact CZ3-CB 4.45Å; L71-F77 HydrophobicContact CD1-CB 4.11Å; L71-F77 HydrophobicContact CD1-CD2 4.02Å; L71-F77 HydrophobicContact CD1-CG 4.33Å; F77-H101 VanDerWaalsContact CZ-O 3.24Å; F77-H101 WeakPolarHBondContact CZ-O 3.17Å; F77-A104 HydrophobicContact CD1-CB 3.4Å; F77-A104 HydrophobicContact CD2-CB 4.32Å; F77-A104 HydrophobicContact CE1-CB 3.39Å; F77-A104 HydrophobicContact CE2-CB 4.33Å; F77-A104 HydrophobicContact CG-CB 3.87Å; F77-A104 HydrophobicContact CZ-CB 3.89Å
78	R	94	Very high	92	Very high	163 Å²	163	60.4 Å²	60.4	62%	0.615	32%	0.315	S	S	*	.			trans	-83.7	-15.8	-176.3	-69.1	-175.2	-79.5	-148.7	-1.4	113.7	R97 H101	R78-R97 PolarHBondContact O-NH1 3.26Å; R78-H101 HydrophobicContact CB-CB 4.21Å
79	G	95.6	Very high	91.8	Very high	0 Å²	0	61 Å²	61	0%	0	32%	0.32	C	S	.	.	S	Bend	trans	-80.4	-163.1	-179.7	0	0	0	0	0	113.2	H101 G102	G79-H101 VanDerWaalsContact CA-CB 3.49Å; G79-G102 WeakPolarHBondContact CA-O 3.31Å
80	I	96.9	Very high	91.7	Very high	0 Å²	0	57 Å²	57	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	130.2	177.7	-63.1	-64.5	0	0	0	109.6	L82 L90 D94 R97 I98 G102 L103 A104 H125 R127	I80-L82 HydrophobicContact CG2-CD2 4.35Å; I80-L90 HydrophobicContact CG2-CD2 4.21Å; I80-D94 HydrophobicContact CD1-CB 3.83Å; I80-D94 WeakPolarHBondContact CD1-OD1 3.31Å; I80-D94 HydrophobicContact CG1-CB 3.95Å; I80-R97 HydrophobicContact CD1-CB 4.47Å; I80-R97 HydrophobicContact CD1-CG 4.29Å; I80-R97 HydrophobicContact CG1-CB 4.42Å; I80-R97 HydrophobicContact CG1-CG 4.27Å; I80-I98 HydrophobicContact CB-CD1 4.44Å; I80-I98 HydrophobicContact CB-CG1 4.01Å; I80-I98 HydrophobicContact CG1-CD1 4.12Å; I80-I98 HydrophobicContact CG1-CG1 3.63Å; I80-G102 PolarHBondContact N-O 2.81Å; I80-G102 VanDerWaalsContact N-O 3.11Å; I80-L103 HydrophobicContact CB-CD2 3.97Å; I80-L103 HydrophobicContact CG2-CD2 4.08Å; I80-L103 CarbonylContact O-C 3.51Å; I80-L103 WeakPolarHBondContact O-CA 3.41Å; I80-A104 PolarHBondContact O-N 2.99Å; I80-H125 HydrophobicContact CD1-CB 3.81Å; I80-R127 HydrophobicContact CD1-CG 4.38Å; I80-R127 HydrophobicContact CG2-CB 4.02Å; I80-R127 HydrophobicContact CG2-CG 3.58Å
81	T	96.6	Very high	91.5	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	115.5	174.5	-56.4	0	0	0	0	109.7	W47 T83 A104 I106 I123 H125 G126 R127	W47-T81 HydrophobicContact CZ3-CG2 3.74Å; T81-T83 HydrophobicContact CG2-CG2 4.37Å; T81-T83 PolarHBondContact O-N 3.5Å; T81-A104 CarbonylContact C-O 3.58Å; T81-A104 WeakPolarHBondContact CA-O 3.28Å; T81-I106 HydrophobicContact CG2-CG1 4.47Å; T81-I123 HydrophobicContact CG2-CD1 4.3Å; T81-I123 HydrophobicContact CG2-CG1 4.3Å; T81-I123 HydrophobicContact CG2-CG2 4.02Å; T81-H125 PolarHBondContact N-O 3.19Å; T81-G126 CarbonylContact O-C 3.58Å; T81-G126 WeakPolarHBondContact O-CA 3.42Å; T81-R127 PolarHBondContact O-N 3.37Å
82	L	96.2	Very high	91.3	Very high	9 Å²	9	57.4 Å²	57.4	5%	0.047	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	115.5	170.3	-51.4	174.7	0	0	0	107.9	I80 L90 L103 A104 V105 R127 L129 A151 A155	I80-L82 HydrophobicContact CG2-CD2 4.35Å; L82-L90 HydrophobicContact CD2-CD1 4.49Å; L82-L90 HydrophobicContact CD2-CD2 3.78Å; L82-L90 HydrophobicContact CD2-CG 4.41Å; L82-L103 HydrophobicContact CD1-CD2 4.46Å; L82-L103 HydrophobicContact CD2-CD2 4.28Å; L82-L103 HydrophobicContact CG-CD2 4.28Å; L82-A104 PolarHBondContact N-O 2.97Å; L82-V105 HydrophobicContact CB-CG1 4.1Å; L82-V105 HydrophobicContact CD1-CG1 4.11Å; L82-R127 WeakPolarHBondContact CA-O 3.36Å; L82-L129 HydrophobicContact CD1-CD1 4.38Å; L82-L129 HydrophobicContact CD2-CD2 4.24Å; L82-L129 HydrophobicContact CD2-CG 4.32Å; L82-A151 HydrophobicContact CD1-CB 4.29Å; L82-A151 VanDerWaalsContact CD1-O 3.29Å; L82-A151 WeakPolarHBondContact CD1-O 3.47Å; L82-A155 HydrophobicContact CD1-CB 3.66Å; L82-A155 HydrophobicContact CD2-CB 4.12Å; L82-A155 HydrophobicContact CG-CB 4.47Å
83	T	92.5	Very high	91.3	Very high	6 Å²	6	53.5 Å²	53.5	4%	0.037	28%	0.282	C	S	.	.			trans	-148.1	136.4	-178.9	176.5	0	0	0	0	110.3	T81 T85 G86 I123 R127 L128	T81-T83 HydrophobicContact CG2-CG2 4.37Å; T81-T83 PolarHBondContact O-N 3.5Å; T83-T85 PolarHBondContact O-N 3.15Å; T83-T85 PolarHBondContact OG1-N 2.98Å; T83-T85 PolarHBondContact OG1-OG1 3.22Å; T83-G86 PolarHBondContact O-N 3.36Å; T83-I123 HydrophobicContact CG2-CD1 4.08Å; T83-R127 PolarHBondContact N-O 3.46Å; T83-L128 WeakPolarHBondContact O-CD2 3.38Å
84	P	87.3	Confident	91.6	Very high	58 Å²	58	50.9 Å²	50.9	38%	0.377	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-15.6	172.6	30.3	-40.4	0	0	0	113.2	G86 W110 F113 L128	P84-G86 VanDerWaalsContact C-N 3.26Å; P84-W110 HydrophobicContact CB-CH2 4.01Å; P84-W110 HydrophobicContact CB-CZ3 4.18Å; P84-W110 HydrophobicContact CG-CH2 4.29Å; P84-W110 HydrophobicContact CG-CZ3 4.37Å; P84-F113 HydrophobicContact CB-CE2 3.97Å; P84-F113 HydrophobicContact CB-CZ 4.08Å; P84-F113 HydrophobicContact CG-CD2 4.12Å; P84-F113 HydrophobicContact CG-CE2 3.23Å; P84-F113 HydrophobicContact CG-CZ 3.79Å; P84-L128 WeakPolarHBondContact O-CD2 3.47Å
85	T	87.2	Confident	92	Very high	63 Å²	63	50.9 Å²	50.9	39%	0.387	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85	2.3	172.7	60.2	0	0	0	0	113.3	T83 F113 F118	T83-T85 PolarHBondContact O-N 3.15Å; T83-T85 PolarHBondContact OG1-N 2.98Å; T83-T85 PolarHBondContact OG1-OG1 3.22Å; T85-F113 HydrophobicContact CG2-CE2 4.28Å; T85-F113 HydrophobicContact CG2-CZ 3.89Å; T85-F118 HydrophobicContact CG2-CD1 4.33Å; T85-F118 HydrophobicContact CG2-CD2 3.8Å; T85-F118 HydrophobicContact CG2-CE2 4.01Å; T85-F118 HydrophobicContact CG2-CG 3.98Å; T85-F118 HydrophobicContact CG2-CZ 4.4Å
86	G	87.9	Confident	92.2	Very high	11 Å²	11	56.8 Å²	56.8	11%	0.113	28%	0.275	C	S	.	.			trans	-64.1	146.1	176.8	0	0	0	0	0	111.1	T83 P84 L128	T83-G86 PolarHBondContact O-N 3.36Å; P84-G86 VanDerWaalsContact C-N 3.26Å; G86-L128 VanDerWaalsContact O-CD1 3.24Å; G86-L128 WeakPolarHBondContact O-CD1 3.34Å; G86-L128 WeakPolarHBondContact O-CD2 3.33Å; G86-L128 VanDerWaalsContact O-CG 3.25Å; G86-L128 WeakPolarHBondContact O-CG 3.48Å
87	K	84.9	Confident	92.4	Very high	205 Å²	205	56.1 Å²	56.1	89%	0.891	27%	0.269	S	S	*	.	S	Bend	trans	-95.3	-17.3	177.5	-63.7	-174.2	179.2	-176.5	0	113.5
88	C	89.6	Confident	92.6	Very high	52 Å²	52	55.3 Å²	55.3	35%	0.351	27%	0.265	S	S	.	.	S	Bend	trans	-125	139.4	-176.7	-58.2	0	0	0	0	109.6	R127 L128	C88-R127 CarbonylContact O-C 3.43Å; C88-R127 VanDerWaalsContact O-CA 3.28Å; C88-R127 WeakPolarHBondContact O-CA 2.98Å; C88-L128 PolarHBondContact O-N 3.18Å
89	C	92.1	Very high	92.7	Very high	19 Å²	19	51.1 Å²	51.1	13%	0.128	26%	0.258	C	S	.	.	B	Isolated β-bridge	trans	-64.9	160	168	-162	0	0	0	0	110.6	K91 R127 L128 L199	C89-K91 WeakPolarHBondContact O-CG 3.37Å; C89-K91 PolarHBondContact O-N 3.13Å; C89-R127 WeakPolarHBondContact O-CD 3.49Å; C89-L128 CarbonylContact C-O 3.48Å; C89-L128 WeakPolarHBondContact CA-O 3.48Å; C89-L199 HydrophobicContact CB-CD2 4.4Å
90	L	93.1	Very high	92.7	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	29%	0.288	C	S	.	.			trans	-47.2	137	168	-75.9	-177.5	0	0	0	111	I80 L82 R127 L128 L129 A155 I158 Y159	I80-L90 HydrophobicContact CG2-CD2 4.21Å; L82-L90 HydrophobicContact CD2-CD1 4.49Å; L82-L90 HydrophobicContact CD2-CD2 3.78Å; L82-L90 HydrophobicContact CD2-CG 4.41Å; L90-R127 HydrophobicContact CD2-CB 3.64Å; L90-R127 HydrophobicContact CD2-CG 3.96Å; L90-R127 HydrophobicContact CG-CB 4.34Å; L90-L128 PolarHBondContact N-O 3.26Å; L90-L129 HydrophobicContact CD1-CD2 3.58Å; L90-L129 HydrophobicContact CG-CD2 4.42Å; L90-A155 HydrophobicContact CD1-CB 4.34Å; L90-I158 HydrophobicContact CD1-CD1 4.15Å; L90-Y159 WeakPolarHBondContact CB-OH 3.4Å; L90-Y159 HydrophobicContact CD1-CE2 3.91Å; L90-Y159 HydrophobicContact CD2-CE2 3.93Å; L90-Y159 WeakPolarHBondContact CD2-OH 3.36Å; L90-Y159 HydrophobicContact CG-CE2 4.39Å
91	K	91.7	Very high	92.6	Very high	73 Å²	73	60.9 Å²	60.9	32%	0.317	30%	0.301	S	S	.	.			trans	-121	150	177.9	-42.7	-176.1	176.7	-175.9	0	111	C89 E93 D94 Y159 A195	C89-K91 WeakPolarHBondContact O-CG 3.37Å; C89-K91 PolarHBondContact O-N 3.13Å; K91-E93 WeakPolarHBondContact CB-OE2 3.48Å; K91-E93 PolarHBondContact O-N 2.68Å; K91-D94 PolarHBondContact N-OD2 3.13Å; K91-D94 VanDerWaalsContact O-CB 3.24Å; K91-D94 WeakPolarHBondContact O-CB 3.17Å; K91-D94 PolarHBondContact O-N 3.17Å; K91-Y159 PolarHBondContact N-OH 3.18Å; K91-Y159 WeakPolarHBondContact O-CE1 3.46Å; K91-Y159 PolarHBondContact O-OH 2.88Å; K91-A195 HydrophobicContact CD-CB 4.46Å; K91-A195 HydrophobicContact CG-CB 4.26Å
92	P	90.2	Very high	92.7	Very high	35 Å²	35	60.9 Å²	60.9	23%	0.227	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-31.6	178.1	-30.4	42.2	0	0	0	113.6	D94 K95 C192 K193	P92-D94 PolarHBondContact O-N 3.02Å; P92-K95 WeakPolarHBondContact O-CB 3.38Å; P92-K95 PolarHBondContact O-N 2.98Å; P92-C192 WeakPolarHBondContact CG-O 3.48Å; P92-K193 VanDerWaalsContact CG-C 3.47Å
93	E	91.9	Very high	92.7	Very high	121 Å²	121	60.5 Å²	60.5	57%	0.565	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-19.1	178.2	-51.1	82.1	-176.6	0	0	112.9	K91 K95	K91-E93 WeakPolarHBondContact CB-OE2 3.48Å; K91-E93 PolarHBondContact O-N 2.68Å; E93-K95 PolarHBondContact O-N 3.4Å
94	D	94.9	Very high	93	Very high	8 Å²	8	60.2 Å²	60.2	4%	0.043	30%	0.297	C	S	.	.	H	α-helix	trans	-66.4	-16.3	177	-65.5	-38.4	0	0	0	112.1	I80 K91 P92 E96 R97 I98 R127 Y159	I80-D94 HydrophobicContact CD1-CB 3.83Å; I80-D94 WeakPolarHBondContact CD1-OD1 3.31Å; I80-D94 HydrophobicContact CG1-CB 3.95Å; K91-D94 PolarHBondContact N-OD2 3.13Å; K91-D94 VanDerWaalsContact O-CB 3.24Å; K91-D94 WeakPolarHBondContact O-CB 3.17Å; K91-D94 PolarHBondContact O-N 3.17Å; P92-D94 PolarHBondContact O-N 3.02Å; D94-E96 VanDerWaalsContact C-N 3.33Å; D94-E96 PolarHBondContact O-N 3.06Å; D94-R97 PolarHBondContact O-N 3.23Å; D94-R97 VanDerWaalsContact O-N 3.15Å; D94-I98 HydrophobicContact CB-CD1 4.26Å; D94-I98 VanDerWaalsContact O-CG1 3.31Å; D94-I98 WeakPolarHBondContact O-CG1 3.09Å; D94-I98 PolarHBondContact O-N 3.3Å; D94-R127 VanDerWaalsContact CG-NE 3.33Å; D94-R127 IonicContact OD1-CZ 3.69Å; D94-R127 VanDerWaalsContact OD1-CZ 3.31Å; D94-R127 IonicContact OD1-NE 3.31Å; D94-R127 PolarHBondContact OD1-NE 3.42Å; D94-R127 VanDerWaalsContact OD1-NE 3.08Å; D94-R127 IonicContact OD1-NH2 2.72Å; D94-R127 PolarHBondContact OD1-NH2 2.88Å; D94-R127 WeakPolarHBondContact OD2-CD 3.42Å; D94-R127 IonicContact OD2-CZ 2.79Å; D94-R127 IonicContact OD2-NE 3.81Å; D94-R127 PolarHBondContact OD2-NE 3.08Å; D94-R127 IonicContact OD2-NH2 3.93Å; D94-Y159 HydrophobicContact CB-CE1 4.24Å; D94-Y159 WeakPolarHBondContact CB-OH 3.47Å
95	K	94.8	Very high	93.4	Very high	99 Å²	99	57.6 Å²	57.6	43%	0.43	28%	0.281	S	S	.	.	H	α-helix	trans	-54.9	-45.8	-179.1	-172.1	171.3	178.7	169.4	0	112.4	P92 E93 R97 I98 V99 Y159	P92-K95 WeakPolarHBondContact O-CB 3.38Å; P92-K95 PolarHBondContact O-N 2.98Å; E93-K95 PolarHBondContact O-N 3.4Å; K95-R97 VanDerWaalsContact C-N 3.3Å; K95-R97 PolarHBondContact O-N 3.13Å; K95-I98 PolarHBondContact O-N 3.09Å; K95-V99 HydrophobicContact CG-CG2 4.48Å; K95-V99 WeakPolarHBondContact O-CG2 3.42Å; K95-V99 PolarHBondContact O-N 2.57Å; K95-Y159 HydrophobicContact CB-CD1 3.7Å; K95-Y159 HydrophobicContact CB-CE1 4.11Å; K95-Y159 WeakPolarHBondContact CE-O 3.47Å; K95-Y159 HydrophobicContact CG-CD1 4.12Å; K95-Y159 PolarHBondContact NZ-O 3.2Å
96	E	94.5	Very high	93.6	Very high	154 Å²	154	55.3 Å²	55.3	72%	0.72	27%	0.266	S	S	*	.	H	α-helix	trans	-60	-43.2	-179.6	-171.2	-169.4	163	0	0	111.2	D94 V99 K100	D94-E96 VanDerWaalsContact C-N 3.33Å; D94-E96 PolarHBondContact O-N 3.06Å; E96-V99 PolarHBondContact O-N 3.33Å; E96-K100 WeakPolarHBondContact O-CB 3.35Å; E96-K100 PolarHBondContact O-N 2.79Å
97	R	95.8	Very high	93.8	Very high	85 Å²	85	55 Å²	55	32%	0.321	26%	0.261	S	S	.	.	H	α-helix	trans	-68.4	-36.8	178.1	-176.2	171.2	-66	-90.1	1.5	112.1	R78 I80 D94 K95 K100 H101 H125	R78-R97 PolarHBondContact O-NH1 3.26Å; I80-R97 HydrophobicContact CD1-CB 4.47Å; I80-R97 HydrophobicContact CD1-CG 4.29Å; I80-R97 HydrophobicContact CG1-CB 4.42Å; I80-R97 HydrophobicContact CG1-CG 4.27Å; D94-R97 PolarHBondContact O-N 3.23Å; D94-R97 VanDerWaalsContact O-N 3.15Å; K95-R97 VanDerWaalsContact C-N 3.3Å; K95-R97 PolarHBondContact O-N 3.13Å; R97-K100 PolarHBondContact O-N 2.76Å; R97-H101 WeakPolarHBondContact O-CA 3.44Å; R97-H101 WeakPolarHBondContact O-CB 3.33Å; R97-H101 PolarHBondContact O-N 3.23Å; R97-H125 VanDerWaalsContact CZ-CD2 3.47Å; R97-H125 PolarHBondContact NH1-CD2 3.38Å; R97-H125 VanDerWaalsContact NH1-CD2 3.27Å; R97-H125 PolarHBondContact NH1-NE2 3.04Å; R97-H125 PolarHBondContact NH2-NE2 3.33Å
98	I	96.6	Very high	93.8	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-65.2	-45.5	177.3	-71.7	167.6	0	0	0	110.6	V42 I80 D94 K95 K100 G102 L103 Y159 F161	V42-I98 HydrophobicContact CB-CG2 4.43Å; V42-I98 HydrophobicContact CG1-CG2 3.6Å; V42-I98 HydrophobicContact CG2-CG2 3.86Å; I80-I98 HydrophobicContact CB-CD1 4.44Å; I80-I98 HydrophobicContact CB-CG1 4.01Å; I80-I98 HydrophobicContact CG1-CD1 4.12Å; I80-I98 HydrophobicContact CG1-CG1 3.63Å; D94-I98 HydrophobicContact CB-CD1 4.26Å; D94-I98 VanDerWaalsContact O-CG1 3.31Å; D94-I98 WeakPolarHBondContact O-CG1 3.09Å; D94-I98 PolarHBondContact O-N 3.3Å; K95-I98 PolarHBondContact O-N 3.09Å; I98-K100 PolarHBondContact O-N 3.08Å; I98-G102 WeakPolarHBondContact O-CA 3.46Å; I98-G102 PolarHBondContact O-N 2.76Å; I98-L103 HydrophobicContact CD1-CD2 3.85Å; I98-L103 HydrophobicContact CD1-CG 4.39Å; I98-L103 HydrophobicContact CG1-CD2 3.87Å; I98-L103 HydrophobicContact CG1-CG 4.14Å; I98-L103 HydrophobicContact CG2-CD1 4.19Å; I98-L103 HydrophobicContact CG2-CG 4Å; I98-Y159 HydrophobicContact CD1-CD1 4.18Å; I98-Y159 HydrophobicContact CD1-CD2 3.23Å; I98-Y159 HydrophobicContact CD1-CE1 4.08Å; I98-Y159 HydrophobicContact CD1-CE2 3.15Å; I98-Y159 HydrophobicContact CD1-CG 3.79Å; I98-F161 HydrophobicContact CG2-CE2 4.18Å
99	V	95.9	Very high	93.7	Very high	75 Å²	75	44.9 Å²	44.9	46%	0.455	22%	0.217	S	C	.	.	H	α-helix	trans	-59.2	-48.2	175.2	173.5	0	0	0	0	110.4	K95 E96 F161	K95-V99 HydrophobicContact CG-CG2 4.48Å; K95-V99 WeakPolarHBondContact O-CG2 3.42Å; K95-V99 PolarHBondContact O-N 2.57Å; E96-V99 PolarHBondContact O-N 3.33Å; V99-F161 HydrophobicContact CG2-CZ 3.82Å
100	K	95.8	Very high	93.3	Very high	149 Å²	149	48.6 Å²	48.6	65%	0.648	23%	0.228	S	C	*	.	H	α-helix	trans	-76	-34.3	-173.3	-168.7	178.2	-178.8	169.3	0	114.7	E96 R97 I98	E96-K100 WeakPolarHBondContact O-CB 3.35Å; E96-K100 PolarHBondContact O-N 2.79Å; R97-K100 PolarHBondContact O-N 2.76Å; I98-K100 PolarHBondContact O-N 3.08Å
101	H	96.2	Very high	92.9	Very high	56 Å²	56	56.5 Å²	56.5	26%	0.259	27%	0.265	S	S	.	.	H	α-helix	trans	-131.4	-11.7	-167.6	-63.8	-41.5	0	0	0	114.6	F77 R78 G79 R97	F77-H101 VanDerWaalsContact CZ-O 3.24Å; F77-H101 WeakPolarHBondContact CZ-O 3.17Å; R78-H101 HydrophobicContact CB-CB 4.21Å; G79-H101 VanDerWaalsContact CA-CB 3.49Å; R97-H101 WeakPolarHBondContact O-CA 3.44Å; R97-H101 WeakPolarHBondContact O-CB 3.33Å; R97-H101 PolarHBondContact O-N 3.23Å
102	G	97	Very high	92.4	Very high	1 Å²	1	56.3 Å²	56.3	1%	0.01	27%	0.265	C	S	.	.			trans	91.7	-173.5	175.3	0	0	0	0	0	115.8	C43 G79 I80 I98	C43-G102 CarbonylContact O-C 3.58Å; C43-G102 WeakPolarHBondContact O-CA 3.48Å; G79-G102 WeakPolarHBondContact CA-O 3.31Å; I80-G102 PolarHBondContact N-O 2.81Å; I80-G102 VanDerWaalsContact N-O 3.11Å; I98-G102 WeakPolarHBondContact O-CA 3.46Å; I98-G102 PolarHBondContact O-N 2.76Å
103	L	97.7	Very high	91.9	Very high	0 Å²	0	57 Å²	57	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	143.3	175.6	-75.7	163.9	0	0	0	110.7	V42 C43 L44 A45 I80 L82 I98 F152 A155 L156	V42-L103 HydrophobicContact CG1-CB 4.45Å; V42-L103 HydrophobicContact CG1-CD1 4.16Å; V42-L103 HydrophobicContact CG1-CG 4.2Å; C43-L103 PolarHBondContact O-N 3.05Å; L44-L103 CarbonylContact C-O 3.52Å; L44-L103 WeakPolarHBondContact CA-O 3.47Å; L44-L103 HydrophobicContact CD2-CB 3.95Å; L44-L103 HydrophobicContact CD2-CD1 4.38Å; A45-L103 PolarHBondContact N-O 2.79Å; I80-L103 HydrophobicContact CB-CD2 3.97Å; I80-L103 HydrophobicContact CG2-CD2 4.08Å; I80-L103 CarbonylContact O-C 3.51Å; I80-L103 WeakPolarHBondContact O-CA 3.41Å; L82-L103 HydrophobicContact CD1-CD2 4.46Å; L82-L103 HydrophobicContact CD2-CD2 4.28Å; L82-L103 HydrophobicContact CG-CD2 4.28Å; I98-L103 HydrophobicContact CD1-CD2 3.85Å; I98-L103 HydrophobicContact CD1-CG 4.39Å; I98-L103 HydrophobicContact CG1-CD2 3.87Å; I98-L103 HydrophobicContact CG1-CG 4.14Å; I98-L103 HydrophobicContact CG2-CD1 4.19Å; I98-L103 HydrophobicContact CG2-CG 4Å; L103-F152 HydrophobicContact CB-CD1 4.15Å; L103-F152 HydrophobicContact CB-CE1 4.08Å; L103-A155 HydrophobicContact CD1-CB 3.75Å; L103-A155 HydrophobicContact CD2-CB 4.12Å; L103-L156 HydrophobicContact CD1-CD2 4.05Å; L103-L156 HydrophobicContact CD1-CG 4.21Å
104	A	97.3	Very high	91.4	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	154.1	170.7	0	0	0	0	0	113.2	A45 W47 F77 I80 T81 L82	A45-A104 HydrophobicContact CB-CB 4.3Å; A45-A104 CarbonylContact O-C 3.48Å; A45-A104 WeakPolarHBondContact O-CA 3.38Å; W47-A104 HydrophobicContact CE3-CB 4.38Å; W47-A104 HydrophobicContact CH2-CB 4.24Å; W47-A104 HydrophobicContact CZ3-CB 3.67Å; F77-A104 HydrophobicContact CD1-CB 3.4Å; F77-A104 HydrophobicContact CD2-CB 4.32Å; F77-A104 HydrophobicContact CE1-CB 3.39Å; F77-A104 HydrophobicContact CE2-CB 4.33Å; F77-A104 HydrophobicContact CG-CB 3.87Å; F77-A104 HydrophobicContact CZ-CB 3.89Å; I80-A104 PolarHBondContact O-N 2.99Å; T81-A104 CarbonylContact C-O 3.58Å; T81-A104 WeakPolarHBondContact CA-O 3.28Å; L82-A104 PolarHBondContact N-O 2.97Å
105	V	95.6	Very high	90.7	Very high	4 Å²	4	65.2 Å²	65.2	2%	0.024	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	162.5	171.3	-60.4	0	0	0	0	110.2	A45 L46 W47 L82 C148 A151 F152	A45-V105 PolarHBondContact O-N 3.03Å; A45-V105 VanDerWaalsContact O-N 3.11Å; L46-V105 VanDerWaalsContact CA-O 3.28Å; L46-V105 WeakPolarHBondContact CA-O 3.4Å; L46-V105 HydrophobicContact CB-CG2 3.65Å; W47-V105 PolarHBondContact N-O 3.37Å; W47-V105 VanDerWaalsContact N-O 3.08Å; L82-V105 HydrophobicContact CB-CG1 4.1Å; L82-V105 HydrophobicContact CD1-CG1 4.11Å; V105-C148 HydrophobicContact CG2-CB 4.04Å; V105-A151 HydrophobicContact CG1-CB 4.3Å; V105-F152 HydrophobicContact CB-CE1 4.48Å; V105-F152 HydrophobicContact CB-CE2 4.23Å; V105-F152 HydrophobicContact CB-CZ 4.03Å; V105-F152 HydrophobicContact CG1-CD1 3.95Å; V105-F152 HydrophobicContact CG1-CD2 4.11Å; V105-F152 HydrophobicContact CG1-CE1 3.68Å; V105-F152 HydrophobicContact CG1-CE2 3.85Å; V105-F152 HydrophobicContact CG1-CG 4.17Å; V105-F152 HydrophobicContact CG1-CZ 3.64Å; V105-F152 HydrophobicContact CG2-CD2 4.25Å; V105-F152 HydrophobicContact CG2-CE1 4.31Å; V105-F152 HydrophobicContact CG2-CE2 3.37Å; V105-F152 HydrophobicContact CG2-CZ 3.42Å; V105-F152 VanDerWaalsContact CG2-CZ 3.42Å
106	I	93	Very high	90	Very high	15 Å²	15	60.9 Å²	60.9	8%	0.077	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	117.8	169.2	-59.7	176.9	0	0	0	107.7	W47 F49 T81 C108 F118 V121 I123	W47-I106 HydrophobicContact CE3-CG1 3.94Å; F49-I106 HydrophobicContact CD2-CG2 3.66Å; F49-I106 HydrophobicContact CE2-CG2 3.58Å; T81-I106 HydrophobicContact CG2-CG1 4.47Å; I106-C108 PolarHBondContact O-N 3.3Å; I106-F118 HydrophobicContact CB-CE1 4.26Å; I106-F118 HydrophobicContact CD1-CD1 3.71Å; I106-F118 HydrophobicContact CD1-CE1 4.06Å; I106-F118 HydrophobicContact CG2-CD1 4.23Å; I106-F118 HydrophobicContact CG2-CE1 3.82Å; I106-V121 HydrophobicContact CD1-CB 4.48Å; I106-V121 HydrophobicContact CD1-CG1 4.46Å; I106-V121 HydrophobicContact CD1-CG2 4.49Å; I106-I123 HydrophobicContact CD1-CD1 3.54Å; I106-I123 HydrophobicContact CD1-CG1 4.33Å
107	D	91.1	Very high	89.3	Confident	4 Å²	4	58.5 Å²	58.5	2%	0.021	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	102.8	177.7	-175.8	16.1	0	0	0	109.5	L46 W47 F49 C57	L46-D107 HydrophobicContact CD1-CB 4.27Å; W47-D107 PolarHBondContact O-N 3.2Å; F49-D107 PolarHBondContact N-O 2.96Å; C57-D107 PolarHBondContact SG-OD1 2.82Å; C57-D107 PolarHBondContact SG-OD2 3.38Å
108	C	86	Confident	88.6	Confident	22 Å²	22	55.9 Å²	55.9	15%	0.149	27%	0.269	C	S	.	.			trans	-143.1	155.6	175.5	61	0	0	0	0	110.6	I106 T116	I106-C108 PolarHBondContact O-N 3.3Å; C108-T116 HydrophobicContact CB-CG2 3.92Å
109	S	86.6	Confident	87.9	Confident	23 Å²	23	62.3 Å²	62.3	16%	0.161	31%	0.313	C	S	.	.			trans	-73.3	136.5	173.9	177.5	0	0	0	0	110.1	C52 H111 Q112 F113	C52-S109 VanDerWaalsContact SG-CA 3.55Å; C52-S109 PolarHBondContact SG-N 3.08Å; C52-S109 VanDerWaalsContact SG-N 3.38Å; S109-H111 PolarHBondContact O-N 2.82Å; S109-H111 PolarHBondContact OG-N 2.88Å; S109-Q112 CarbonylContact O-C 3.59Å; S109-Q112 PolarHBondContact O-N 2.68Å; S109-F113 PolarHBondContact O-N 3.39Å; S109-F113 VanDerWaalsContact O-N 3.15Å
110	W	84.2	Confident	87.2	Confident	97 Å²	97	64.4 Å²	64.4	37%	0.367	32%	0.316	S	S	.	.	G	3₁₀ helix	trans	-57.6	-27.8	170.6	-75	109.8	0	0	0	112.5	P84 F113 L146	P84-W110 HydrophobicContact CB-CH2 4.01Å; P84-W110 HydrophobicContact CB-CZ3 4.18Å; P84-W110 HydrophobicContact CG-CH2 4.29Å; P84-W110 HydrophobicContact CG-CZ3 4.37Å; W110-F113 HydrophobicContact CZ3-CD2 4.46Å; W110-F113 WeakPolarHBondContact O-CB 3.36Å; W110-F113 PolarHBondContact O-N 3.03Å; W110-L146 PolarHBondContact NE1-O 3.39Å
111	H	84.8	Confident	86.8	Confident	166 Å²	166	57.8 Å²	57.8	77%	0.769	29%	0.288	S	S	*	.	G	3₁₀ helix	trans	-71.9	-31.4	176	-66	-70.5	0	0	0	113.4	S109	S109-H111 PolarHBondContact O-N 2.82Å; S109-H111 PolarHBondContact OG-N 2.88Å
112	Q	79.9	Confident	86.2	Confident	69 Å²	69	62 Å²	62	32%	0.322	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-102.8	22.4	178.5	-66.8	179.5	7.5	0	0	111.1	H51 S109 N114 E115 T116	H51-Q112 HydrophobicContact CB-CB 4.48Å; H51-Q112 PolarHBondContact ND1-OE1 2.86Å; S109-Q112 CarbonylContact O-C 3.59Å; S109-Q112 PolarHBondContact O-N 2.68Å; Q112-N114 PolarHBondContact O-N 3.36Å; Q112-E115 PolarHBondContact O-N 3.23Å; Q112-T116 PolarHBondContact O-N 3.05Å; Q112-T116 PolarHBondContact O-OG1 2.96Å
113	F	80.9	Confident	85.8	Confident	50 Å²	50	64.2 Å²	64.2	22%	0.219	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-50	-176.3	178	-105.6	0	0	0	111.4	P84 T85 S109 W110 E115 T116 F118	P84-F113 HydrophobicContact CB-CE2 3.97Å; P84-F113 HydrophobicContact CB-CZ 4.08Å; P84-F113 HydrophobicContact CG-CD2 4.12Å; P84-F113 HydrophobicContact CG-CE2 3.23Å; P84-F113 HydrophobicContact CG-CZ 3.79Å; T85-F113 HydrophobicContact CG2-CE2 4.28Å; T85-F113 HydrophobicContact CG2-CZ 3.89Å; S109-F113 PolarHBondContact O-N 3.39Å; S109-F113 VanDerWaalsContact O-N 3.15Å; W110-F113 HydrophobicContact CZ3-CD2 4.46Å; W110-F113 WeakPolarHBondContact O-CB 3.36Å; W110-F113 PolarHBondContact O-N 3.03Å; F113-E115 VanDerWaalsContact C-N 3.26Å; F113-E115 PolarHBondContact O-N 3.21Å; F113-T116 WeakPolarHBondContact O-CB 3.49Å; F113-T116 PolarHBondContact O-N 3.46Å; F113-T116 VanDerWaalsContact O-N 3.15Å; F113-F118 AromaticContact CD2-CE2 3.77Å; F113-F118 HydrophobicContact CD2-CE2 3.77Å; F113-F118 AromaticContact CD2-CZ 3.65Å; F113-F118 HydrophobicContact CD2-CZ 3.65Å; F113-F118 HydrophobicContact CE2-CE1 4.43Å; F113-F118 AromaticContact CE2-CE2 3.4Å; F113-F118 HydrophobicContact CE2-CE2 3.4Å; F113-F118 AromaticContact CE2-CZ 3.33Å; F113-F118 HydrophobicContact CE2-CZ 3.33Å; F113-F118 HydrophobicContact CZ-CE2 4Å; F113-F118 HydrophobicContact CZ-CZ 4.31Å; F113-F118 WeakPolarHBondContact O-CE2 3.24Å
114	N	80.5	Confident	85.3	Confident	157 Å²	157	67.5 Å²	67.5	84%	0.84	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-26.2	-179.3	-63.2	-29.6	0	0	0	113.2	Q112	Q112-N114 PolarHBondContact O-N 3.36Å
115	E	80.4	Confident	85.1	Confident	143 Å²	143	69.8 Å²	69.8	67%	0.668	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.2	-15.5	178.1	-64.6	173	-164.1	0	0	112.4	Q112 F113 Q117	Q112-E115 PolarHBondContact O-N 3.23Å; F113-E115 VanDerWaalsContact C-N 3.26Å; F113-E115 PolarHBondContact O-N 3.21Å; E115-Q117 PolarHBondContact O-N 2.96Å
116	T	79.3	Confident	85	Confident	8 Å²	8	70.5 Å²	70.5	5%	0.049	36%	0.358	C	S	.	.	S	Bend	trans	-69.1	121.1	-176.8	-62.2	0	0	0	0	109.9	F49 H51 C108 Q112 F113 F118	F49-T116 HydrophobicContact CD1-CG2 4.12Å; F49-T116 HydrophobicContact CD2-CG2 4.29Å; F49-T116 HydrophobicContact CE1-CG2 4.24Å; F49-T116 HydrophobicContact CE2-CG2 4.41Å; F49-T116 HydrophobicContact CG-CG2 4.13Å; F49-T116 HydrophobicContact CZ-CG2 4.36Å; H51-T116 PolarHBondContact CE1-OG1 2.87Å; H51-T116 PolarHBondContact ND1-OG1 3.17Å; H51-T116 VanDerWaalsContact ND1-OG1 3.13Å; C108-T116 HydrophobicContact CB-CG2 3.92Å; Q112-T116 PolarHBondContact O-N 3.05Å; Q112-T116 PolarHBondContact O-OG1 2.96Å; F113-T116 WeakPolarHBondContact O-CB 3.49Å; F113-T116 PolarHBondContact O-N 3.46Å; F113-T116 VanDerWaalsContact O-N 3.15Å; T116-F118 HydrophobicContact CG2-CD1 4.1Å; T116-F118 HydrophobicContact CG2-CD2 4.14Å; T116-F118 HydrophobicContact CG2-CE1 3.8Å; T116-F118 HydrophobicContact CG2-CE2 3.85Å; T116-F118 HydrophobicContact CG2-CG 4.25Å; T116-F118 HydrophobicContact CG2-CZ 3.65Å; T116-F118 WeakPolarHBondContact O-CD2 3.46Å; T116-F118 PolarHBondContact O-N 2.73Å
117	Q	80.3	Confident	85.1	Confident	105 Å²	105	71.4 Å²	71.4	49%	0.491	36%	0.36	S	S	.	.			trans	-77.2	65.2	-177.7	-64.5	177.5	-29.2	0	0	111.1	F49 E115 C119 K120	F49-Q117 HydrophobicContact CE1-CB 4.4Å; E115-Q117 PolarHBondContact O-N 2.96Å; Q117-C119 PolarHBondContact O-N 3.24Å; Q117-C119 VanDerWaalsContact O-N 3.08Å; Q117-K120 HydrophobicContact CB-CD 3.99Å; Q117-K120 HydrophobicContact CB-CG 4.07Å; Q117-K120 WeakPolarHBondContact O-CB 3.36Å; Q117-K120 PolarHBondContact O-N 3.32Å
118	F	81.1	Confident	85.3	Confident	29 Å²	29	74 Å²	74	13%	0.127	37%	0.374	C	S	.	.	G	3₁₀ helix	trans	-53.9	-29.8	178.8	-69	-72	0	0	0	112.5	T85 I106 F113 T116 K120 V121	T85-F118 HydrophobicContact CG2-CD1 4.33Å; T85-F118 HydrophobicContact CG2-CD2 3.8Å; T85-F118 HydrophobicContact CG2-CE2 4.01Å; T85-F118 HydrophobicContact CG2-CG 3.98Å; T85-F118 HydrophobicContact CG2-CZ 4.4Å; I106-F118 HydrophobicContact CB-CE1 4.26Å; I106-F118 HydrophobicContact CD1-CD1 3.71Å; I106-F118 HydrophobicContact CD1-CE1 4.06Å; I106-F118 HydrophobicContact CG2-CD1 4.23Å; I106-F118 HydrophobicContact CG2-CE1 3.82Å; F113-F118 AromaticContact CD2-CE2 3.77Å; F113-F118 HydrophobicContact CD2-CE2 3.77Å; F113-F118 AromaticContact CD2-CZ 3.65Å; F113-F118 HydrophobicContact CD2-CZ 3.65Å; F113-F118 HydrophobicContact CE2-CE1 4.43Å; F113-F118 AromaticContact CE2-CE2 3.4Å; F113-F118 HydrophobicContact CE2-CE2 3.4Å; F113-F118 AromaticContact CE2-CZ 3.33Å; F113-F118 HydrophobicContact CE2-CZ 3.33Å; F113-F118 HydrophobicContact CZ-CE2 4Å; F113-F118 HydrophobicContact CZ-CZ 4.31Å; F113-F118 WeakPolarHBondContact O-CE2 3.24Å; T116-F118 HydrophobicContact CG2-CD1 4.1Å; T116-F118 HydrophobicContact CG2-CD2 4.14Å; T116-F118 HydrophobicContact CG2-CE1 3.8Å; T116-F118 HydrophobicContact CG2-CE2 3.85Å; T116-F118 HydrophobicContact CG2-CG 4.25Å; T116-F118 HydrophobicContact CG2-CZ 3.65Å; T116-F118 WeakPolarHBondContact O-CD2 3.46Å; T116-F118 PolarHBondContact O-N 2.73Å; F118-K120 PolarHBondContact O-N 3.46Å; F118-K120 VanDerWaalsContact O-N 3.11Å; F118-V121 PolarHBondContact O-N 3.15Å
119	C	81.5	Confident	85.7	Confident	136 Å²	136	74.6 Å²	74.6	92%	0.919	38%	0.375	S	S	*	.	G	3₁₀ helix	trans	-57.6	-21.8	174.8	-54.9	0	0	0	0	114	Q117 V121	Q117-C119 PolarHBondContact O-N 3.24Å; Q117-C119 VanDerWaalsContact O-N 3.08Å; C119-V121 VanDerWaalsContact C-N 3.31Å
120	K	83.1	Confident	86.1	Confident	119 Å²	119	73.6 Å²	73.6	52%	0.517	37%	0.368	S	S	.	.	G	3₁₀ helix	trans	-74.7	-20	177	-71.2	-175.6	166.3	175	0	113.3	T73 Q117 F118	T73-K120 HydrophobicContact CG2-CB 3.76Å; Q117-K120 HydrophobicContact CB-CD 3.99Å; Q117-K120 HydrophobicContact CB-CG 4.07Å; Q117-K120 WeakPolarHBondContact O-CB 3.36Å; Q117-K120 PolarHBondContact O-N 3.32Å; F118-K120 PolarHBondContact O-N 3.46Å; F118-K120 VanDerWaalsContact O-N 3.11Å
121	V	85.5	Confident	86.6	Confident	9 Å²	9	70 Å²	70	6%	0.055	36%	0.355	C	S	.	.	S	Bend	trans	-96.8	129.5	179.6	-178.1	0	0	0	0	109.4	W47 F49 I106 F118 C119 I123	W47-V121 HydrophobicContact CB-CG2 4.26Å; W47-V121 HydrophobicContact CD2-CG1 3.51Å; W47-V121 HydrophobicContact CD2-CG2 4.32Å; W47-V121 HydrophobicContact CE3-CG1 3.82Å; W47-V121 HydrophobicContact CG-CG1 4.05Å; W47-V121 HydrophobicContact CG-CG2 4.02Å; W47-V121 HydrophobicContact CH2-CG1 3.77Å; W47-V121 HydrophobicContact CZ2-CG1 3.52Å; W47-V121 HydrophobicContact CZ3-CG1 3.94Å; F49-V121 HydrophobicContact CE2-CG2 3.66Å; F49-V121 HydrophobicContact CZ-CG2 3.65Å; I106-V121 HydrophobicContact CD1-CB 4.48Å; I106-V121 HydrophobicContact CD1-CG1 4.46Å; I106-V121 HydrophobicContact CD1-CG2 4.49Å; F118-V121 PolarHBondContact O-N 3.15Å; C119-V121 VanDerWaalsContact C-N 3.31Å; V121-I123 HydrophobicContact CB-CG1 4.23Å; V121-I123 HydrophobicContact CG1-CG1 3.74Å; V121-I123 PolarHBondContact O-N 3.49Å; V121-I123 VanDerWaalsContact O-N 3.13Å
122	K	85	Confident	87.2	Confident	146 Å²	146	62.2 Å²	62.2	64%	0.635	32%	0.319	S	S	*	.			trans	-84.7	85.5	175.1	-67.7	-175.2	178.4	-178.3	0	110.7
123	I	87.6	Confident	88	Confident	47 Å²	47	59.8 Å²	59.8	24%	0.241	31%	0.308	C	S	.	.	B	Isolated β-bridge	trans	-86.7	112.3	177.4	-52.4	174.2	0	0	0	109.9	T81 T83 I106 V121	T81-I123 HydrophobicContact CG2-CD1 4.3Å; T81-I123 HydrophobicContact CG2-CG1 4.3Å; T81-I123 HydrophobicContact CG2-CG2 4.02Å; T83-I123 HydrophobicContact CG2-CD1 4.08Å; I106-I123 HydrophobicContact CD1-CD1 3.54Å; I106-I123 HydrophobicContact CD1-CG1 4.33Å; V121-I123 HydrophobicContact CB-CG1 4.23Å; V121-I123 HydrophobicContact CG1-CG1 3.74Å; V121-I123 PolarHBondContact O-N 3.49Å; V121-I123 VanDerWaalsContact O-N 3.13Å
124	S	87.4	Confident	88.7	Confident	68 Å²	68	57.4 Å²	57.4	48%	0.476	30%	0.297	S	S	.	.	S	Bend	trans	-88.5	-36	175.5	-69.2	0	0	0	0	113.7	H76	H76-S124 PolarHBondContact CE1-OG 3.05Å
125	H	93.2	Very high	89.5	Confident	49 Å²	49	50.2 Å²	50.2	23%	0.227	26%	0.26	C	S	.	.	S	Bend	trans	-129.3	69.6	-176.9	-55.6	-66.8	0	0	0	111	I80 T81 R97	I80-H125 HydrophobicContact CD1-CB 3.81Å; T81-H125 PolarHBondContact N-O 3.19Å; R97-H125 VanDerWaalsContact CZ-CD2 3.47Å; R97-H125 PolarHBondContact NH1-CD2 3.38Å; R97-H125 VanDerWaalsContact NH1-CD2 3.27Å; R97-H125 PolarHBondContact NH1-NE2 3.04Å; R97-H125 PolarHBondContact NH2-NE2 3.33Å
126	G	93.9	Very high	90.2	Very high	18 Å²	18	43.8 Å²	43.8	19%	0.186	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	134.4	175.2	0	0	0	0	0	111.7	T81	T81-G126 CarbonylContact O-C 3.58Å; T81-G126 WeakPolarHBondContact O-CA 3.42Å
127	R	95.7	Very high	90.9	Very high	35 Å²	35	48 Å²	48	13%	0.132	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	143.9	176.1	-62.3	-67.6	-177.4	-90.3	-3.3	111.7	I80 T81 L82 T83 C88 C89 L90 D94	I80-R127 HydrophobicContact CD1-CG 4.38Å; I80-R127 HydrophobicContact CG2-CB 4.02Å; I80-R127 HydrophobicContact CG2-CG 3.58Å; T81-R127 PolarHBondContact O-N 3.37Å; L82-R127 WeakPolarHBondContact CA-O 3.36Å; T83-R127 PolarHBondContact N-O 3.46Å; C88-R127 CarbonylContact O-C 3.43Å; C88-R127 VanDerWaalsContact O-CA 3.28Å; C88-R127 WeakPolarHBondContact O-CA 2.98Å; C89-R127 WeakPolarHBondContact O-CD 3.49Å; L90-R127 HydrophobicContact CD2-CB 3.64Å; L90-R127 HydrophobicContact CD2-CG 3.96Å; L90-R127 HydrophobicContact CG-CB 4.34Å; D94-R127 VanDerWaalsContact CG-NE 3.33Å; D94-R127 IonicContact OD1-CZ 3.69Å; D94-R127 VanDerWaalsContact OD1-CZ 3.31Å; D94-R127 IonicContact OD1-NE 3.31Å; D94-R127 PolarHBondContact OD1-NE 3.42Å; D94-R127 VanDerWaalsContact OD1-NE 3.08Å; D94-R127 IonicContact OD1-NH2 2.72Å; D94-R127 PolarHBondContact OD1-NH2 2.88Å; D94-R127 WeakPolarHBondContact OD2-CD 3.42Å; D94-R127 IonicContact OD2-CZ 2.79Å; D94-R127 IonicContact OD2-NE 3.81Å; D94-R127 PolarHBondContact OD2-NE 3.08Å; D94-R127 IonicContact OD2-NH2 3.93Å
128	L	94.5	Very high	91.4	Very high	57 Å²	57	48.1 Å²	48.1	30%	0.298	27%	0.265	S	S	.	.	B	Isolated β-bridge	trans	-86.7	142.5	166.7	-64.8	166.5	0	0	0	109.3	T83 P84 G86 C88 C89 L90	T83-L128 WeakPolarHBondContact O-CD2 3.38Å; P84-L128 WeakPolarHBondContact O-CD2 3.47Å; G86-L128 VanDerWaalsContact O-CD1 3.24Å; G86-L128 WeakPolarHBondContact O-CD1 3.34Å; G86-L128 WeakPolarHBondContact O-CD2 3.33Å; G86-L128 VanDerWaalsContact O-CG 3.25Å; G86-L128 WeakPolarHBondContact O-CG 3.48Å; C88-L128 PolarHBondContact O-N 3.18Å; C89-L128 CarbonylContact C-O 3.48Å; C89-L128 WeakPolarHBondContact CA-O 3.48Å; L90-L128 PolarHBondContact N-O 3.26Å
129	L	95.2	Very high	92	Very high	35 Å²	35	47.3 Å²	47.3	18%	0.183	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-75.7	147.2	164.4	-76.2	166	0	0	0	109.8	L82 L90 L146 A151 A154 A155	L82-L129 HydrophobicContact CD1-CD1 4.38Å; L82-L129 HydrophobicContact CD2-CD2 4.24Å; L82-L129 HydrophobicContact CD2-CG 4.32Å; L90-L129 HydrophobicContact CD1-CD2 3.58Å; L90-L129 HydrophobicContact CG-CD2 4.42Å; L129-L146 HydrophobicContact CD1-CD1 3.83Å; L129-A151 VanDerWaalsContact CD1-CA 3.48Å; L129-A151 HydrophobicContact CD1-CB 3.62Å; L129-A154 HydrophobicContact CD1-CB 4.36Å; L129-A154 HydrophobicContact CD2-CB 4.01Å; L129-A155 HydrophobicContact CD2-CB 4.26Å
130	P	94.2	Very high	92.6	Very high	2 Å²	2	48.5 Å²	48.5	1%	0.013	25%	0.249	C	C	.	.	P	Polyproline II helix	trans	-67.5	172.8	172	32.4	-37	0	0	0	110.7	L132 I158 Y189 M198	P130-L132 PolarHBondContact O-N 3.38Å; P130-I158 HydrophobicContact CG-CD1 3.82Å; P130-Y189 HydrophobicContact CB-CD1 4.23Å; P130-Y189 HydrophobicContact CB-CD2 4.01Å; P130-Y189 HydrophobicContact CB-CE1 3.9Å; P130-Y189 HydrophobicContact CB-CE2 3.67Å; P130-Y189 HydrophobicContact CB-CG 4.3Å; P130-Y189 HydrophobicContact CG-CD1 4.3Å; P130-Y189 HydrophobicContact CG-CD2 3.44Å; P130-Y189 VanDerWaalsContact CG-CD2 3.44Å; P130-Y189 HydrophobicContact CG-CE1 4.36Å; P130-Y189 HydrophobicContact CG-CE2 3.52Å; P130-Y189 HydrophobicContact CG-CG 3.88Å; P130-M198 HydrophobicContact CB-CG 4.44Å; P130-M198 HydrophobicContact CB-SD 4.13Å; P130-M198 HydrophobicContact CG-SD 4.07Å
131	Y	94.8	Very high	93.2	Very high	23 Å²	23	44.9 Å²	44.9	9%	0.09	25%	0.245	C	C	.	.	S	Bend	trans	-58	120.9	-178.4	-179.3	-93.7	0	0	0	112.5	P143 Y189 N205 M206 K209	Y131-P143 HydrophobicContact CD2-CB 4.24Å; Y131-P143 HydrophobicContact CE2-CB 3.36Å; Y131-P143 HydrophobicContact CE2-CG 4.47Å; Y131-Y189 VanDerWaalsContact O-CE2 3.3Å; Y131-Y189 WeakPolarHBondContact O-CE2 3.04Å; Y131-Y189 PolarHBondContact O-OH 3.2Å; Y131-N205 HydrophobicContact CD1-CB 4.31Å; Y131-M206 HydrophobicContact CD2-CE 3.67Å; Y131-M206 HydrophobicContact CD2-CG 3.78Å; Y131-M206 HydrophobicContact CE2-CG 4.15Å; Y131-M206 HydrophobicContact CG-CE 4.18Å; Y131-M206 HydrophobicContact CG-CG 4Å; Y131-K209 HydrophobicContact CE1-CD 3.79Å; Y131-K209 VanDerWaalsContact CE1-NZ 3.29Å; Y131-K209 WeakPolarHBondContact OH-CD 3.16Å; Y131-K209 WeakPolarHBondContact OH-CE 3.45Å; Y131-K209 PolarHBondContact OH-NZ 3.08Å
132	L	96.6	Very high	93.5	Very high	1 Å²	1	48.9 Å²	48.9	1%	0.005	26%	0.262	C	S	.	.			trans	-145.6	158.8	178.4	-68.8	169.6	0	0	0	109.6	P130 C144 L146 A154 F178 N182 Y185 L186 Y189	P130-L132 PolarHBondContact O-N 3.38Å; L132-C144 PolarHBondContact O-N 3.27Å; L132-L146 HydrophobicContact CB-CD1 4.15Å; L132-L146 HydrophobicContact CB-CD2 4.27Å; L132-L146 HydrophobicContact CD1-CD1 4.07Å; L132-A154 HydrophobicContact CD1-CB 3.47Å; L132-A154 VanDerWaalsContact CD1-CB 3.47Å; L132-F178 HydrophobicContact CD1-CZ 4.43Å; L132-N182 HydrophobicContact CD2-CB 3.81Å; L132-Y185 HydrophobicContact CD2-CD2 4.44Å; L132-L186 HydrophobicContact CD1-CD2 4.24Å; L132-L186 HydrophobicContact CD2-CD2 3.95Å; L132-L186 HydrophobicContact CD2-CG 4.21Å; L132-Y189 HydrophobicContact CD2-CD2 4.4Å; L132-Y189 HydrophobicContact CD2-CE2 3.96Å; L132-Y189 HydrophobicContact CG-CE2 4.3Å
133	I	96.7	Very high	93.9	Very high	18 Å²	18	45 Å²	45	9%	0.092	25%	0.251	C	S	.	.	B	Isolated β-bridge	trans	-102.2	132.6	179	-44.3	177.5	0	0	0	109.5	G141 L181 N182 Y185	I133-G141 WeakPolarHBondContact CG2-O 3.34Å; I133-L181 HydrophobicContact CB-CD2 3.81Å; I133-L181 HydrophobicContact CB-CG 4.21Å; I133-L181 HydrophobicContact CD1-CD1 4.18Å; I133-L181 HydrophobicContact CD1-CG 4.21Å; I133-L181 HydrophobicContact CG2-CD2 3.76Å; I133-N182 PolarHBondContact N-OD1 3.18Å; I133-N182 PolarHBondContact O-ND2 3.48Å; I133-Y185 HydrophobicContact CD1-CE2 4.1Å; I133-Y185 HydrophobicContact CG1-CE2 4.18Å
134	A	97	Very high	94.1	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	26%	0.26	C	S	.	.			trans	-67.7	133.9	170.6	0	0	0	0	0	111.5	N139 Y140 G141 K142 Q145 L146	A134-N139 HydrophobicContact CB-CB 4.02Å; A134-N139 VanDerWaalsContact CB-O 3.3Å; A134-N139 WeakPolarHBondContact CB-O 3.29Å; A134-Y140 CarbonylContact O-C 3.51Å; A134-Y140 WeakPolarHBondContact O-CA 3.42Å; A134-G141 PolarHBondContact O-N 3.45Å; A134-K142 PolarHBondContact N-O 2.94Å; A134-Q145 WeakPolarHBondContact CB-O 3.49Å; A134-L146 HydrophobicContact CB-CD2 4.22Å
135	A	97.3	Very high	94.4	Very high	6 Å²	6	45.7 Å²	45.7	5%	0.05	25%	0.252	C	S	.	.			trans	-110	-4.4	170.8	0	0	0	0	0	112.4	E150 F178 L181	A135-E150 WeakPolarHBondContact CA-OE1 3.48Å; A135-E150 PolarHBondContact N-OE1 2.83Å; A135-F178 VanDerWaalsContact CB-CA 3.43Å; A135-F178 HydrophobicContact CB-CB 3.79Å; A135-F178 HydrophobicContact CB-CD2 4.22Å; A135-L181 HydrophobicContact CB-CD2 4.03Å
136	N	94.4	Very high	94.5	Very high	9 Å²	9	44 Å²	44	5%	0.048	25%	0.245	C	C	.	.	S	Bend	trans	-63.5	150.7	174.9	72.2	77.3	0	0	0	111.9	V138 N139 Y140 E150 W174	N136-V138 PolarHBondContact O-N 3.03Å; N136-V138 VanDerWaalsContact O-N 3.09Å; N136-V138 WeakPolarHBondContact OD1-CB 3.39Å; N136-V138 PolarHBondContact OD1-N 3.41Å; N136-V138 VanDerWaalsContact OD1-N 3.1Å; N136-N139 PolarHBondContact O-N 3.39Å; N136-N139 PolarHBondContact OD1-N 2.98Å; N136-Y140 WeakPolarHBondContact O-CA 3.38Å; N136-Y140 WeakPolarHBondContact O-CB 3.25Å; N136-Y140 PolarHBondContact O-N 3.48Å; N136-E150 PolarHBondContact N-OE1 3.05Å; N136-E150 PolarHBondContact ND2-OE2 3.26Å; N136-W174 HydrophobicContact CB-CD2 4.3Å; N136-W174 HydrophobicContact CB-CE3 4.19Å; N136-W174 HydrophobicContact CB-CH2 3.81Å; N136-W174 HydrophobicContact CB-CZ2 3.89Å; N136-W174 HydrophobicContact CB-CZ3 3.95Å
137	P	93.8	Very high	94.6	Very high	97 Å²	97	44.1 Å²	44.1	63%	0.63	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-19.3	-175.4	-25.6	34.9	0	0	0	115.4	W174	P137-W174 HydrophobicContact CG-CG 4.13Å
138	V	91.6	Very high	94.6	Very high	107 Å²	107	43.1 Å²	43.1	65%	0.648	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.7	-38.9	-175.9	-178.6	0	0	0	0	111.2	N136	N136-V138 PolarHBondContact O-N 3.03Å; N136-V138 VanDerWaalsContact O-N 3.09Å; N136-V138 WeakPolarHBondContact OD1-CB 3.39Å; N136-V138 PolarHBondContact OD1-N 3.41Å; N136-V138 VanDerWaalsContact OD1-N 3.1Å
139	N	92.8	Very high	94.7	Very high	12 Å²	12	40.4 Å²	40.4	6%	0.064	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.4	21.8	-173.4	-71.1	-33.9	0	0	0	113.2	A134 N136 G141 K142 Q145	A134-N139 HydrophobicContact CB-CB 4.02Å; A134-N139 VanDerWaalsContact CB-O 3.3Å; A134-N139 WeakPolarHBondContact CB-O 3.29Å; N136-N139 PolarHBondContact O-N 3.39Å; N136-N139 PolarHBondContact OD1-N 2.98Å; N139-G141 PolarHBondContact O-N 3.46Å; N139-K142 HydrophobicContact CB-CB 4.4Å; N139-K142 HydrophobicContact CB-CD 4.11Å; N139-K142 VanDerWaalsContact O-CB 3.26Å; N139-K142 WeakPolarHBondContact O-CB 3.39Å; N139-K142 WeakPolarHBondContact O-CG 3.25Å; N139-K142 PolarHBondContact O-N 3.17Å; N139-K142 PolarHBondContact OD1-NZ 2.9Å; N139-K142 VanDerWaalsContact OD1-NZ 3.09Å; N139-Q145 HydrophobicContact CB-CB 4.1Å; N139-Q145 PolarHBondContact ND2-O 3.15Å; N139-Q145 PolarHBondContact OD1-OE1 2.83Å
140	Y	95	Very high	94.8	Very high	161 Å²	161	38.8 Å²	38.8	63%	0.631	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-47.7	129.6	-176.3	-176.2	-94.8	0	0	0	112.3	A134 N136 K142	A134-Y140 CarbonylContact O-C 3.51Å; A134-Y140 WeakPolarHBondContact O-CA 3.42Å; N136-Y140 WeakPolarHBondContact O-CA 3.38Å; N136-Y140 WeakPolarHBondContact O-CB 3.25Å; N136-Y140 PolarHBondContact O-N 3.48Å; Y140-K142 PolarHBondContact O-N 3.34Å
141	G	94.1	Very high	95	Very high	42 Å²	42	39.3 Å²	39.3	43%	0.433	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	81	-13.1	179.7	0	0	0	0	0	115	I133 A134 N139	I133-G141 WeakPolarHBondContact CG2-O 3.34Å; A134-G141 PolarHBondContact O-N 3.45Å; N139-G141 PolarHBondContact O-N 3.46Å
142	K	93.3	Very high	95.2	Very high	94 Å²	94	38.2 Å²	38.2	41%	0.409	22%	0.218	S	C	.	.			trans	-77.4	135	179.9	-59.7	-177.3	-171.3	166.5	0	111	A134 N139 Y140 Q145	A134-K142 PolarHBondContact N-O 2.94Å; N139-K142 HydrophobicContact CB-CB 4.4Å; N139-K142 HydrophobicContact CB-CD 4.11Å; N139-K142 VanDerWaalsContact O-CB 3.26Å; N139-K142 WeakPolarHBondContact O-CB 3.39Å; N139-K142 WeakPolarHBondContact O-CG 3.25Å; N139-K142 PolarHBondContact O-N 3.17Å; N139-K142 PolarHBondContact OD1-NZ 2.9Å; N139-K142 VanDerWaalsContact OD1-NZ 3.09Å; Y140-K142 PolarHBondContact O-N 3.34Å; K142-Q145 HydrophobicContact CB-CB 4.22Å; K142-Q145 HydrophobicContact CB-CG 4.47Å
143	P	93	Very high	95.2	Very high	64 Å²	64	38.1 Å²	38.1	42%	0.416	22%	0.218	S	C	.	.	B	Isolated β-bridge	trans	-72.7	142.8	177.3	30	-34.3	0	0	0	111.6	Y131 Q145	Y131-P143 HydrophobicContact CD2-CB 4.24Å; Y131-P143 HydrophobicContact CE2-CB 3.36Å; Y131-P143 HydrophobicContact CE2-CG 4.47Å; P143-Q145 PolarHBondContact O-N 3.43Å
144	C	92.2	Very high	95.3	Very high	63 Å²	63	37.3 Å²	37.3	43%	0.426	21%	0.213	S	C	.	.	S	Bend	trans	59.2	0.6	172.6	-55.2	0	0	0	0	116.5	L132 L146	L132-C144 PolarHBondContact O-N 3.27Å; C144-L146 VanDerWaalsContact C-N 3.26Å; C144-L146 PolarHBondContact O-N 3.37Å
145	Q	92.9	Very high	95.3	Very high	66 Å²	66	37.3 Å²	37.3	31%	0.308	21%	0.213	S	C	.	.			trans	-93.8	50.2	178.2	-66.2	-168.2	-5	0	0	112	A134 N139 K142 P143	A134-Q145 WeakPolarHBondContact CB-O 3.49Å; N139-Q145 HydrophobicContact CB-CB 4.1Å; N139-Q145 PolarHBondContact ND2-O 3.15Å; N139-Q145 PolarHBondContact OD1-OE1 2.83Å; K142-Q145 HydrophobicContact CB-CB 4.22Å; K142-Q145 HydrophobicContact CB-CG 4.47Å; P143-Q145 PolarHBondContact O-N 3.43Å
146	L	95.4	Very high	95.3	Very high	15 Å²	15	37 Å²	37	8%	0.079	21%	0.211	C	C	.	.			trans	-68.1	151.3	-179.2	-56	-176	0	0	0	111	W110 L129 L132 A134 C144 E150 F178	W110-L146 PolarHBondContact NE1-O 3.39Å; L129-L146 HydrophobicContact CD1-CD1 3.83Å; L132-L146 HydrophobicContact CB-CD1 4.15Å; L132-L146 HydrophobicContact CB-CD2 4.27Å; L132-L146 HydrophobicContact CD1-CD1 4.07Å; A134-L146 HydrophobicContact CB-CD2 4.22Å; C144-L146 VanDerWaalsContact C-N 3.26Å; C144-L146 PolarHBondContact O-N 3.37Å; L146-E150 HydrophobicContact CB-CB 3.99Å; L146-E150 HydrophobicContact CD2-CB 4.31Å; L146-F178 HydrophobicContact CD1-CZ 4.49Å; L146-F178 HydrophobicContact CD2-CE2 3.76Å; L146-F178 HydrophobicContact CD2-CZ 4.41Å
147	S	95.6	Very high	95.5	Very high	19 Å²	19	37.2 Å²	37.2	13%	0.133	21%	0.212	C	C	.	.			trans	-78.6	164	165.1	66.3	0	0	0	0	110.9	S58 A149 E150 A151 W174	S58-S147 WeakPolarHBondContact OG-CB 3.25Å; S147-A149 PolarHBondContact O-N 3.01Å; S147-E150 VanDerWaalsContact CB-OE2 3.3Å; S147-E150 WeakPolarHBondContact CB-OE2 3.5Å; S147-E150 PolarHBondContact N-OE2 3.35Å; S147-E150 PolarHBondContact O-N 3.37Å; S147-E150 WeakPolarHBondContact OG-CG 3.44Å; S147-E150 PolarHBondContact OG-N 3.21Å; S147-E150 PolarHBondContact OG-OE2 2.97Å; S147-A151 WeakPolarHBondContact O-CB 3.42Å; S147-A151 PolarHBondContact O-N 3.39Å; S147-W174 WeakPolarHBondContact OG-CH2 3.25Å
148	C	95.6	Very high	95.6	Very high	15 Å²	15	33.1 Å²	33.1	10%	0.101	18%	0.184	C	C	.	.	H	α-helix	trans	-55.7	-39.4	176.5	-61	0	0	0	0	112.7	S58 V105 A151 F152	S58-C148 PolarHBondContact OG-N 2.89Å; V105-C148 HydrophobicContact CG2-CB 4.04Å; C148-A151 PolarHBondContact O-N 3.43Å; C148-F152 WeakPolarHBondContact O-CD2 3.24Å; C148-F152 PolarHBondContact O-N 2.94Å; C148-F152 VanDerWaalsContact O-N 3.08Å
149	A	97.3	Very high	95.8	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-65.3	-44.8	177.4	0	0	0	0	0	112.6	S58 L62 S147 A151 F152 A153 M169 F172	S58-A149 PolarHBondContact OG-N 3.13Å; L62-A149 HydrophobicContact CD1-CB 3.97Å; S147-A149 PolarHBondContact O-N 3.01Å; A149-A151 VanDerWaalsContact C-N 3.32Å; A149-A151 PolarHBondContact O-N 3.31Å; A149-F152 PolarHBondContact O-N 3.3Å; A149-A153 WeakPolarHBondContact O-CB 3.42Å; A149-A153 PolarHBondContact O-N 2.78Å; A149-M169 HydrophobicContact CB-SD 4.49Å; A149-F172 HydrophobicContact CB-CD2 4.24Å; A149-F172 HydrophobicContact CB-CE1 4.46Å; A149-F172 HydrophobicContact CB-CE2 3.52Å; A149-F172 HydrophobicContact CB-CZ 3.65Å
150	E	98	Very high	95.9	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-64	-39.1	175.7	-71	165.3	135.8	0	0	111.6	A135 N136 L146 S147 A153 A154 M169 W174 F178	A135-E150 WeakPolarHBondContact CA-OE1 3.48Å; A135-E150 PolarHBondContact N-OE1 2.83Å; N136-E150 PolarHBondContact N-OE1 3.05Å; N136-E150 PolarHBondContact ND2-OE2 3.26Å; L146-E150 HydrophobicContact CB-CB 3.99Å; L146-E150 HydrophobicContact CD2-CB 4.31Å; S147-E150 VanDerWaalsContact CB-OE2 3.3Å; S147-E150 WeakPolarHBondContact CB-OE2 3.5Å; S147-E150 PolarHBondContact N-OE2 3.35Å; S147-E150 PolarHBondContact O-N 3.37Å; S147-E150 WeakPolarHBondContact OG-CG 3.44Å; S147-E150 PolarHBondContact OG-N 3.21Å; S147-E150 PolarHBondContact OG-OE2 2.97Å; E150-A153 PolarHBondContact O-N 2.96Å; E150-A154 VanDerWaalsContact O-CB 3.25Å; E150-A154 WeakPolarHBondContact O-CB 3.16Å; E150-A154 PolarHBondContact O-N 2.93Å; E150-M169 HydrophobicContact CG-CE 3.99Å; E150-W174 HydrophobicContact CG-CH2 3.84Å; E150-W174 HydrophobicContact CG-CZ3 3.5Å; E150-W174 VanDerWaalsContact CG-CZ3 3.5Å; E150-W174 WeakPolarHBondContact OE1-CZ3 3.43Å; E150-F178 HydrophobicContact CB-CD1 4.35Å; E150-F178 HydrophobicContact CB-CD2 4.02Å; E150-F178 HydrophobicContact CB-CE1 4.1Å; E150-F178 HydrophobicContact CB-CE2 3.78Å; E150-F178 HydrophobicContact CB-CG 4.31Å; E150-F178 HydrophobicContact CB-CZ 3.81Å; E150-F178 HydrophobicContact CG-CB 4.31Å; E150-F178 HydrophobicContact CG-CD1 4.14Å; E150-F178 HydrophobicContact CG-CD2 3.58Å; E150-F178 HydrophobicContact CG-CE1 4.39Å; E150-F178 HydrophobicContact CG-CE2 3.88Å; E150-F178 HydrophobicContact CG-CG 3.73Å; E150-F178 HydrophobicContact CG-CZ 4.27Å; E150-F178 WeakPolarHBondContact OE1-CD2 3.22Å
151	A	97.7	Very high	96	Very high	13 Å²	13	21.7 Å²	21.7	11%	0.107	13%	0.132	C	C	.	.	H	α-helix	trans	-61.6	-46.9	178.1	0	0	0	0	0	111.8	L82 V105 L129 S147 C148 A149 A155	L82-A151 HydrophobicContact CD1-CB 4.29Å; L82-A151 VanDerWaalsContact CD1-O 3.29Å; L82-A151 WeakPolarHBondContact CD1-O 3.47Å; V105-A151 HydrophobicContact CG1-CB 4.3Å; L129-A151 VanDerWaalsContact CD1-CA 3.48Å; L129-A151 HydrophobicContact CD1-CB 3.62Å; S147-A151 WeakPolarHBondContact O-CB 3.42Å; S147-A151 PolarHBondContact O-N 3.39Å; C148-A151 PolarHBondContact O-N 3.43Å; A149-A151 VanDerWaalsContact C-N 3.32Å; A149-A151 PolarHBondContact O-N 3.31Å; A151-A155 PolarHBondContact O-N 2.92Å; A151-A155 VanDerWaalsContact O-N 3.15Å
152	F	98.2	Very high	96.1	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-61.5	-49.5	173.2	-78.1	-56.4	0	0	0	112.1	L44 A45 L62 V68 L103 V105 C148 A149 A154 A155 L156 L168	L44-F152 HydrophobicContact CB-CD1 4.47Å; L44-F152 HydrophobicContact CB-CE1 4.05Å; L44-F152 HydrophobicContact CB-CZ 4.2Å; L44-F152 HydrophobicContact CD1-CD1 4.36Å; L44-F152 HydrophobicContact CD1-CG 4.35Å; L44-F152 HydrophobicContact CD2-CD1 3.77Å; L44-F152 HydrophobicContact CD2-CE1 3.99Å; L44-F152 HydrophobicContact CG-CD1 4.43Å; L44-F152 HydrophobicContact CG-CE1 4.47Å; A45-F152 VanDerWaalsContact O-CZ 3.3Å; A45-F152 WeakPolarHBondContact O-CZ 3.41Å; L62-F152 HydrophobicContact CD1-CD2 3.94Å; L62-F152 HydrophobicContact CD1-CE2 4.31Å; V68-F152 HydrophobicContact CG1-CE2 4.13Å; V68-F152 HydrophobicContact CG1-CZ 4.04Å; V68-F152 HydrophobicContact CG2-CD2 4.32Å; V68-F152 HydrophobicContact CG2-CE2 3.79Å; V68-F152 HydrophobicContact CG2-CZ 4.23Å; L103-F152 HydrophobicContact CB-CD1 4.15Å; L103-F152 HydrophobicContact CB-CE1 4.08Å; V105-F152 HydrophobicContact CB-CE1 4.48Å; V105-F152 HydrophobicContact CB-CE2 4.23Å; V105-F152 HydrophobicContact CB-CZ 4.03Å; V105-F152 HydrophobicContact CG1-CD1 3.95Å; V105-F152 HydrophobicContact CG1-CD2 4.11Å; V105-F152 HydrophobicContact CG1-CE1 3.68Å; V105-F152 HydrophobicContact CG1-CE2 3.85Å; V105-F152 HydrophobicContact CG1-CG 4.17Å; V105-F152 HydrophobicContact CG1-CZ 3.64Å; V105-F152 HydrophobicContact CG2-CD2 4.25Å; V105-F152 HydrophobicContact CG2-CE1 4.31Å; V105-F152 HydrophobicContact CG2-CE2 3.37Å; V105-F152 HydrophobicContact CG2-CZ 3.42Å; V105-F152 VanDerWaalsContact CG2-CZ 3.42Å; C148-F152 WeakPolarHBondContact O-CD2 3.24Å; C148-F152 PolarHBondContact O-N 2.94Å; C148-F152 VanDerWaalsContact O-N 3.08Å; A149-F152 PolarHBondContact O-N 3.3Å; F152-A154 VanDerWaalsContact C-N 3.3Å; F152-A154 PolarHBondContact O-N 3.23Å; F152-A155 PolarHBondContact O-N 2.87Å; F152-L156 WeakPolarHBondContact O-CB 3.26Å; F152-L156 VanDerWaalsContact O-CG 3.25Å; F152-L156 WeakPolarHBondContact O-CG 3.41Å; F152-L156 PolarHBondContact O-N 3.39Å; F152-L168 HydrophobicContact CB-CD2 3.45Å; F152-L168 VanDerWaalsContact CB-CD2 3.45Å; F152-L168 HydrophobicContact CG-CD2 4.37Å
153	A	98	Very high	96.2	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-59.6	-42	-178.6	0	0	0	0	0	111.8	A149 E150 Y157 A165 M169 F178	A149-A153 WeakPolarHBondContact O-CB 3.42Å; A149-A153 PolarHBondContact O-N 2.78Å; E150-A153 PolarHBondContact O-N 2.96Å; A153-Y157 VanDerWaalsContact O-CB 3.26Å; A153-Y157 WeakPolarHBondContact O-CB 3.34Å; A153-Y157 PolarHBondContact O-N 3.48Å; A153-A165 HydrophobicContact CB-CB 4.41Å; A153-A165 WeakPolarHBondContact O-CB 3.36Å; A153-M169 HydrophobicContact CB-CG 3.48Å; A153-M169 VanDerWaalsContact CB-CG 3.48Å; A153-M169 HydrophobicContact CB-SD 3.48Å; A153-M169 WeakPolarHBondContact CB-SD 3.3Å; A153-F178 HydrophobicContact CB-CD1 4.41Å; A153-F178 HydrophobicContact CB-CE1 4.21Å
154	A	97.9	Very high	96.4	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-59.1	-52.1	175.7	0	0	0	0	0	111.9	L129 L132 E150 F152 Y157 I158 F178 L186	L129-A154 HydrophobicContact CD1-CB 4.36Å; L129-A154 HydrophobicContact CD2-CB 4.01Å; L132-A154 HydrophobicContact CD1-CB 3.47Å; L132-A154 VanDerWaalsContact CD1-CB 3.47Å; E150-A154 VanDerWaalsContact O-CB 3.25Å; E150-A154 WeakPolarHBondContact O-CB 3.16Å; E150-A154 PolarHBondContact O-N 2.93Å; F152-A154 VanDerWaalsContact C-N 3.3Å; F152-A154 PolarHBondContact O-N 3.23Å; A154-Y157 PolarHBondContact O-N 3.39Å; A154-I158 WeakPolarHBondContact O-CB 3.49Å; A154-I158 WeakPolarHBondContact O-CD1 3.48Å; A154-I158 WeakPolarHBondContact O-CG1 3.3Å; A154-I158 PolarHBondContact O-N 3.44Å; A154-F178 HydrophobicContact CB-CE1 4.3Å; A154-F178 HydrophobicContact CB-CZ 4.11Å; A154-L186 HydrophobicContact CB-CD2 4.33Å
155	A	97.7	Very high	96.6	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-61.7	-47.5	179.5	0	0	0	0	0	111.6	L82 L90 L103 L129 A151 F152 Y157 I158 Y159	L82-A155 HydrophobicContact CD1-CB 3.66Å; L82-A155 HydrophobicContact CD2-CB 4.12Å; L82-A155 HydrophobicContact CG-CB 4.47Å; L90-A155 HydrophobicContact CD1-CB 4.34Å; L103-A155 HydrophobicContact CD1-CB 3.75Å; L103-A155 HydrophobicContact CD2-CB 4.12Å; L129-A155 HydrophobicContact CD2-CB 4.26Å; A151-A155 PolarHBondContact O-N 2.92Å; A151-A155 VanDerWaalsContact O-N 3.15Å; F152-A155 PolarHBondContact O-N 2.87Å; A155-Y157 VanDerWaalsContact C-N 3.29Å; A155-Y157 PolarHBondContact O-N 3.18Å; A155-I158 PolarHBondContact O-N 3.34Å; A155-Y159 WeakPolarHBondContact O-CD2 3.34Å; A155-Y159 PolarHBondContact O-N 3.38Å
156	L	97.7	Very high	96.8	Very high	1 Å²	1	18.6 Å²	18.6	1%	0.005	9%	0.093	C	C	.	.	H	α-helix	trans	-55.4	-46.3	176.7	-72.8	170.8	0	0	0	111.4	V42 L44 L103 F152 Y159 G160 F161 Q164 A165 L168	V42-L156 HydrophobicContact CB-CD2 3.72Å; V42-L156 HydrophobicContact CG1-CD2 4.19Å; V42-L156 HydrophobicContact CG2-CD2 3.87Å; L44-L156 HydrophobicContact CD1-CD1 4.34Å; L44-L156 HydrophobicContact CD2-CD1 4.42Å; L44-L156 HydrophobicContact CD2-CD2 4.32Å; L103-L156 HydrophobicContact CD1-CD2 4.05Å; L103-L156 HydrophobicContact CD1-CG 4.21Å; F152-L156 WeakPolarHBondContact O-CB 3.26Å; F152-L156 VanDerWaalsContact O-CG 3.25Å; F152-L156 WeakPolarHBondContact O-CG 3.41Å; F152-L156 PolarHBondContact O-N 3.39Å; L156-Y159 PolarHBondContact O-N 3.15Å; L156-G160 PolarHBondContact O-N 3.16Å; L156-F161 HydrophobicContact CB-CB 4.18Å; L156-F161 HydrophobicContact CD2-CB 3.94Å; L156-F161 HydrophobicContact CD2-CD2 4.33Å; L156-F161 HydrophobicContact CD2-CG 4.32Å; L156-F161 WeakPolarHBondContact O-CA 3.48Å; L156-F161 PolarHBondContact O-N 3.26Å; L156-Q164 HydrophobicContact CD1-CB 4.32Å; L156-Q164 HydrophobicContact CD1-CG 3.93Å; L156-Q164 HydrophobicContact CD2-CG 4.44Å; L156-A165 HydrophobicContact CB-CB 3.82Å; L156-L168 HydrophobicContact CD1-CD2 4.46Å
157	Y	97.4	Very high	96.9	Very high	13 Å²	13	20.9 Å²	20.9	5%	0.051	10%	0.104	C	C	.	.	H	α-helix	trans	-62.4	-46.8	179.5	-158.5	-73.6	0	0	0	112.2	A153 A154 A155 Y159 G160 K162 A165 L179 L186 E187	A153-Y157 VanDerWaalsContact O-CB 3.26Å; A153-Y157 WeakPolarHBondContact O-CB 3.34Å; A153-Y157 PolarHBondContact O-N 3.48Å; A154-Y157 PolarHBondContact O-N 3.39Å; A155-Y157 VanDerWaalsContact C-N 3.29Å; A155-Y157 PolarHBondContact O-N 3.18Å; Y157-Y159 VanDerWaalsContact C-N 3.3Å; Y157-Y159 PolarHBondContact O-N 3.35Å; Y157-G160 PolarHBondContact O-N 3.01Å; Y157-K162 HydrophobicContact CD1-CG 4.31Å; Y157-K162 HydrophobicContact CD2-CG 4.12Å; Y157-K162 HydrophobicContact CE1-CD 4.11Å; Y157-K162 VanDerWaalsContact CE1-CE 3.47Å; Y157-K162 HydrophobicContact CE1-CG 4.24Å; Y157-K162 HydrophobicContact CE2-CB 4.46Å; Y157-K162 HydrophobicContact CE2-CD 4.17Å; Y157-K162 HydrophobicContact CE2-CG 4.03Å; Y157-K162 HydrophobicContact CG-CG 4.26Å; Y157-A165 HydrophobicContact CD2-CB 4.38Å; Y157-L179 HydrophobicContact CD2-CD2 3.91Å; Y157-L179 HydrophobicContact CE2-CD2 4.3Å; Y157-L186 HydrophobicContact CD1-CB 3.65Å; Y157-L186 HydrophobicContact CD1-CD1 4.38Å; Y157-L186 HydrophobicContact CD1-CG 4.41Å; Y157-L186 HydrophobicContact CD2-CD1 4.37Å; Y157-L186 HydrophobicContact CE1-CB 3.77Å; Y157-L186 HydrophobicContact CG-CB 4.29Å; Y157-L186 HydrophobicContact CG-CD1 4.2Å; Y157-E187 VanDerWaalsContact CE1-OE1 3.22Å; Y157-E187 WeakPolarHBondContact CE1-OE1 3.49Å; Y157-E187 VanDerWaalsContact CZ-OE1 3.26Å; Y157-E187 PolarHBondContact OH-OE1 2.87Å
158	I	96.6	Very high	96.9	Very high	10 Å²	10	20 Å²	20	5%	0.051	10%	0.098	C	C	.	.	H	α-helix	trans	-60	-40.4	-179.9	-70	166.4	0	0	0	110.9	L90 P130 A154 A155 G160 L186 Y189 M198	L90-I158 HydrophobicContact CD1-CD1 4.15Å; P130-I158 HydrophobicContact CG-CD1 3.82Å; A154-I158 WeakPolarHBondContact O-CB 3.49Å; A154-I158 WeakPolarHBondContact O-CD1 3.48Å; A154-I158 WeakPolarHBondContact O-CG1 3.3Å; A154-I158 PolarHBondContact O-N 3.44Å; A155-I158 PolarHBondContact O-N 3.34Å; I158-G160 VanDerWaalsContact C-N 3.3Å; I158-G160 PolarHBondContact O-N 3.45Å; I158-L186 HydrophobicContact CG1-CD2 4.26Å; I158-Y189 HydrophobicContact CD1-CD2 4.28Å; I158-M198 HydrophobicContact CG2-CE 4.09Å
159	Y	96.1	Very high	97	Very high	13 Å²	13	19.3 Å²	19.3	5%	0.051	9%	0.093	C	C	.	.	H	α-helix	trans	-84.5	0.4	-179.3	-71	-69.9	0	0	0	115.1	L90 K91 D94 K95 I98 A155 L156 Y157	L90-Y159 WeakPolarHBondContact CB-OH 3.4Å; L90-Y159 HydrophobicContact CD1-CE2 3.91Å; L90-Y159 HydrophobicContact CD2-CE2 3.93Å; L90-Y159 WeakPolarHBondContact CD2-OH 3.36Å; L90-Y159 HydrophobicContact CG-CE2 4.39Å; K91-Y159 PolarHBondContact N-OH 3.18Å; K91-Y159 WeakPolarHBondContact O-CE1 3.46Å; K91-Y159 PolarHBondContact O-OH 2.88Å; D94-Y159 HydrophobicContact CB-CE1 4.24Å; D94-Y159 WeakPolarHBondContact CB-OH 3.47Å; K95-Y159 HydrophobicContact CB-CD1 3.7Å; K95-Y159 HydrophobicContact CB-CE1 4.11Å; K95-Y159 WeakPolarHBondContact CE-O 3.47Å; K95-Y159 HydrophobicContact CG-CD1 4.12Å; K95-Y159 PolarHBondContact NZ-O 3.2Å; I98-Y159 HydrophobicContact CD1-CD1 4.18Å; I98-Y159 HydrophobicContact CD1-CD2 3.23Å; I98-Y159 HydrophobicContact CD1-CE1 4.08Å; I98-Y159 HydrophobicContact CD1-CE2 3.15Å; I98-Y159 HydrophobicContact CD1-CG 3.79Å; A155-Y159 WeakPolarHBondContact O-CD2 3.34Å; A155-Y159 PolarHBondContact O-N 3.38Å; L156-Y159 PolarHBondContact O-N 3.15Å; Y157-Y159 VanDerWaalsContact C-N 3.3Å; Y157-Y159 PolarHBondContact O-N 3.35Å
160	G	95	Very high	96.9	Very high	13 Å²	13	23.4 Å²	23.4	13%	0.134	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	105.9	-12.2	173.2	0	0	0	0	0	115.3	L156 Y157 I158 K162	L156-G160 PolarHBondContact O-N 3.16Å; Y157-G160 PolarHBondContact O-N 3.01Å; I158-G160 VanDerWaalsContact C-N 3.3Å; I158-G160 PolarHBondContact O-N 3.45Å; G160-K162 PolarHBondContact O-N 3.36Å
161	F	96.3	Very high	96.7	Very high	15 Å²	15	26 Å²	26	7%	0.066	13%	0.132	C	C	.	.			trans	-76.1	52.4	-179.8	-53.5	-80.1	0	0	0	112.3	D40 V42 I98 V99 L156 Q163 Q164 A165	D40-F161 VanDerWaalsContact O-CE1 3.31Å; D40-F161 WeakPolarHBondContact O-CE1 3.24Å; V42-F161 HydrophobicContact CG2-CD1 3.74Å; V42-F161 HydrophobicContact CG2-CD2 3.5Å; V42-F161 HydrophobicContact CG2-CE1 3.63Å; V42-F161 HydrophobicContact CG2-CE2 3.4Å; V42-F161 HydrophobicContact CG2-CG 3.67Å; V42-F161 HydrophobicContact CG2-CZ 3.46Å; V42-F161 VanDerWaalsContact CG2-CZ 3.46Å; I98-F161 HydrophobicContact CG2-CE2 4.18Å; V99-F161 HydrophobicContact CG2-CZ 3.82Å; L156-F161 HydrophobicContact CB-CB 4.18Å; L156-F161 HydrophobicContact CD2-CB 3.94Å; L156-F161 HydrophobicContact CD2-CD2 4.33Å; L156-F161 HydrophobicContact CD2-CG 4.32Å; L156-F161 WeakPolarHBondContact O-CA 3.48Å; L156-F161 PolarHBondContact O-N 3.26Å; F161-Q163 VanDerWaalsContact C-N 3.27Å; F161-Q163 PolarHBondContact O-N 3.29Å; F161-Q164 HydrophobicContact CB-CB 4.36Å; F161-Q164 PolarHBondContact O-N 2.97Å; F161-A165 PolarHBondContact O-N 2.75Å
162	K	95.5	Very high	96.6	Very high	47 Å²	47	26 Å²	26	20%	0.204	13%	0.13	C	C	.	.	H	α-helix	trans	-59.7	-38.5	-173.7	-69.2	-170.7	177.5	-172	0	111.6	Y157 G160 A165 K166 E187 K190	Y157-K162 HydrophobicContact CD1-CG 4.31Å; Y157-K162 HydrophobicContact CD2-CG 4.12Å; Y157-K162 HydrophobicContact CE1-CD 4.11Å; Y157-K162 VanDerWaalsContact CE1-CE 3.47Å; Y157-K162 HydrophobicContact CE1-CG 4.24Å; Y157-K162 HydrophobicContact CE2-CB 4.46Å; Y157-K162 HydrophobicContact CE2-CD 4.17Å; Y157-K162 HydrophobicContact CE2-CG 4.03Å; Y157-K162 HydrophobicContact CG-CG 4.26Å; G160-K162 PolarHBondContact O-N 3.36Å; K162-A165 PolarHBondContact O-N 2.75Å; K162-K166 VanDerWaalsContact O-CG 3.3Å; K162-K166 WeakPolarHBondContact O-CG 3.37Å; K162-K166 PolarHBondContact O-N 2.75Å; K162-E187 IonicContact NZ-OE1 2.62Å; K162-E187 PolarHBondContact NZ-OE1 3.03Å; K162-E187 IonicContact NZ-OE2 2.88Å; K162-E187 PolarHBondContact NZ-OE2 2.86Å; K162-K190 VanDerWaalsContact CE-CD 3.49Å
163	Q	96.2	Very high	96.5	Very high	112 Å²	112	36.5 Å²	36.5	52%	0.523	18%	0.175	S	C	.	.	H	α-helix	trans	-65.8	-47.4	-179.2	-175.8	54.8	27.7	0	0	111.5	F161 A165 K166 E167	F161-Q163 VanDerWaalsContact C-N 3.27Å; F161-Q163 PolarHBondContact O-N 3.29Å; Q163-A165 VanDerWaalsContact C-N 3.31Å; Q163-A165 PolarHBondContact O-N 2.9Å; Q163-K166 PolarHBondContact O-N 3.36Å; Q163-E167 PolarHBondContact NE2-OE1 3.23Å; Q163-E167 WeakPolarHBondContact O-CG 3.3Å; Q163-E167 PolarHBondContact O-N 3.13Å
164	Q	97.1	Very high	96.4	Very high	14 Å²	14	39.2 Å²	39.2	7%	0.065	19%	0.186	C	C	.	.	H	α-helix	trans	-61.7	-39.4	174.9	-168.8	179.7	0.7	0	0	111.9	V42 L156 F161 E167 L168	V42-Q164 PolarHBondContact O-NE2 3.45Å; L156-Q164 HydrophobicContact CD1-CB 4.32Å; L156-Q164 HydrophobicContact CD1-CG 3.93Å; L156-Q164 HydrophobicContact CD2-CG 4.44Å; F161-Q164 HydrophobicContact CB-CB 4.36Å; F161-Q164 PolarHBondContact O-N 2.97Å; Q164-E167 PolarHBondContact O-N 2.73Å; Q164-L168 WeakPolarHBondContact O-CB 3.34Å; Q164-L168 PolarHBondContact O-N 3.22Å
165	A	97.2	Very high	96.3	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-60.4	-46.3	174.8	0	0	0	0	0	111.9	A153 L156 Y157 F161 K162 Q163 L168 M169	A153-A165 HydrophobicContact CB-CB 4.41Å; A153-A165 WeakPolarHBondContact O-CB 3.36Å; L156-A165 HydrophobicContact CB-CB 3.82Å; Y157-A165 HydrophobicContact CD2-CB 4.38Å; F161-A165 PolarHBondContact O-N 2.75Å; K162-A165 PolarHBondContact O-N 2.75Å; Q163-A165 VanDerWaalsContact C-N 3.31Å; Q163-A165 PolarHBondContact O-N 2.9Å; A165-L168 PolarHBondContact O-N 3.19Å; A165-M169 WeakPolarHBondContact O-CG 3.31Å; A165-M169 PolarHBondContact O-N 2.99Å; A165-M169 VanDerWaalsContact O-N 3.08Å
166	K	96.8	Very high	96.1	Very high	90 Å²	90	43.4 Å²	43.4	39%	0.391	21%	0.205	S	C	.	.	H	α-helix	trans	-61.1	-47.4	176.8	-73.7	172.9	-178.4	-179.1	0	111.5	K162 Q163 L168 M169 C170 L179	K162-K166 VanDerWaalsContact O-CG 3.3Å; K162-K166 WeakPolarHBondContact O-CG 3.37Å; K162-K166 PolarHBondContact O-N 2.75Å; Q163-K166 PolarHBondContact O-N 3.36Å; K166-L168 VanDerWaalsContact C-N 3.32Å; K166-L168 PolarHBondContact O-N 3.4Å; K166-M169 PolarHBondContact O-N 2.88Å; K166-C170 PolarHBondContact O-N 3.01Å; K166-C170 PolarHBondContact O-SG 2.62Å; K166-L179 HydrophobicContact CB-CD1 4.49Å; K166-L179 HydrophobicContact CG-CD1 3.83Å
167	E	96.2	Very high	96.1	Very high	63 Å²	63	45 Å²	45	29%	0.294	22%	0.222	S	C	.	.	H	α-helix	trans	-59	-42.5	177.8	-74.1	174.1	-162.3	0	0	112.5	R41 Q163 Q164 M169 C170	R41-E167 IonicContact CZ-OE2 3.16Å; R41-E167 IonicContact NH1-OE2 2.75Å; R41-E167 PolarHBondContact NH1-OE2 2.98Å; R41-E167 IonicContact NH2-OE2 2.82Å; R41-E167 PolarHBondContact NH2-OE2 2.88Å; Q163-E167 PolarHBondContact NE2-OE1 3.23Å; Q163-E167 WeakPolarHBondContact O-CG 3.3Å; Q163-E167 PolarHBondContact O-N 3.13Å; Q164-E167 PolarHBondContact O-N 2.73Å; E167-M169 VanDerWaalsContact C-N 3.33Å; E167-M169 PolarHBondContact O-N 2.97Å; E167-C170 PolarHBondContact O-N 3.13Å
168	L	96.4	Very high	96.1	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.005	22%	0.22	C	C	.	.	H	α-helix	trans	-61.1	-44.6	176.4	-164.3	74.4	0	0	0	111.1	L44 L62 E67 F152 L156 Q164 A165 K166 K171	L44-L168 HydrophobicContact CD1-CD1 4.16Å; L44-L168 HydrophobicContact CD1-CD2 4.4Å; L62-L168 HydrophobicContact CD1-CD1 4.11Å; L62-L168 HydrophobicContact CD1-CD2 4.38Å; L62-L168 HydrophobicContact CD1-CG 4.45Å; L62-L168 HydrophobicContact CD2-CD1 3.39Å; L62-L168 HydrophobicContact CD2-CG 3.98Å; L62-L168 HydrophobicContact CG-CD1 4.35Å; E67-L168 HydrophobicContact CB-CD1 3.99Å; E67-L168 HydrophobicContact CG-CD1 4.2Å; F152-L168 HydrophobicContact CB-CD2 3.45Å; F152-L168 VanDerWaalsContact CB-CD2 3.45Å; F152-L168 HydrophobicContact CG-CD2 4.37Å; L156-L168 HydrophobicContact CD1-CD2 4.46Å; Q164-L168 WeakPolarHBondContact O-CB 3.34Å; Q164-L168 PolarHBondContact O-N 3.22Å; A165-L168 PolarHBondContact O-N 3.19Å; K166-L168 VanDerWaalsContact C-N 3.32Å; K166-L168 PolarHBondContact O-N 3.4Å; L168-K171 WeakPolarHBondContact O-CB 3.45Å; L168-K171 PolarHBondContact O-N 2.92Å
169	M	96.9	Very high	96.1	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-74.6	-28.8	-177.7	-66.3	-49.9	-70.9	0	0	113.4	A149 E150 A153 A165 K166 E167 K171 F172 W174 G175 F178 L179	A149-M169 HydrophobicContact CB-SD 4.49Å; E150-M169 HydrophobicContact CG-CE 3.99Å; A153-M169 HydrophobicContact CB-CG 3.48Å; A153-M169 VanDerWaalsContact CB-CG 3.48Å; A153-M169 HydrophobicContact CB-SD 3.48Å; A153-M169 WeakPolarHBondContact CB-SD 3.3Å; A165-M169 WeakPolarHBondContact O-CG 3.31Å; A165-M169 PolarHBondContact O-N 2.99Å; A165-M169 VanDerWaalsContact O-N 3.08Å; K166-M169 PolarHBondContact O-N 2.88Å; E167-M169 VanDerWaalsContact C-N 3.33Å; E167-M169 PolarHBondContact O-N 2.97Å; M169-K171 PolarHBondContact O-N 2.53Å; M169-F172 PolarHBondContact O-N 3.34Å; M169-W174 HydrophobicContact CE-CE3 4.12Å; M169-W174 HydrophobicContact CE-CH2 4.1Å; M169-W174 HydrophobicContact CE-CZ3 3.45Å; M169-W174 VanDerWaalsContact CE-CZ3 3.45Å; M169-G175 WeakPolarHBondContact CE-O 3.22Å; M169-G175 WeakPolarHBondContact O-CA 3.34Å; M169-F178 HydrophobicContact CE-CB 3.56Å; M169-F178 HydrophobicContact CE-CD1 3.91Å; M169-F178 HydrophobicContact CE-CG 3.97Å; M169-F178 HydrophobicContact SD-CD1 4.45Å; M169-L179 HydrophobicContact CB-CD1 4.39Å; M169-L179 HydrophobicContact CG-CD1 4.42Å; M169-L179 HydrophobicContact CG-CG 4.36Å
170	C	96	Very high	96.2	Very high	86 Å²	86	49 Å²	49	58%	0.581	25%	0.25	S	C	*	.	H	α-helix	trans	-57	-20.5	173.7	-76.8	0	0	0	0	113.6	K166 E167 F172 Q176	K166-C170 PolarHBondContact O-N 3.01Å; K166-C170 PolarHBondContact O-SG 2.62Å; E167-C170 PolarHBondContact O-N 3.13Å; C170-F172 PolarHBondContact O-N 3.03Å; C170-Q176 PolarHBondContact SG-NE2 3.39Å
171	K	94.5	Very high	96.3	Very high	54 Å²	54	51.3 Å²	51.3	24%	0.235	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-9.8	177.4	-60.4	175.9	-176.5	-116.5	0	113.3	K61 L62 N65 E67 L168 M169	K61-K171 PolarHBondContact NZ-O 2.83Å; L62-K171 HydrophobicContact CD2-CD 4.27Å; N65-K171 HydrophobicContact CB-CD 4.49Å; E67-K171 VanDerWaalsContact CD-CE 3.43Å; E67-K171 HydrophobicContact CG-CD 3.93Å; E67-K171 WeakPolarHBondContact OE1-CE 3.01Å; E67-K171 IonicContact OE1-NZ 2.57Å; E67-K171 PolarHBondContact OE1-NZ 3.03Å; L168-K171 WeakPolarHBondContact O-CB 3.45Å; L168-K171 PolarHBondContact O-N 2.92Å; M169-K171 PolarHBondContact O-N 2.53Å
172	F	96	Very high	96.3	Very high	14 Å²	14	50.6 Å²	50.6	6%	0.061	26%	0.255	C	S	.	.	S	Bend	trans	-122	131.4	-177.2	-56.7	-89.4	0	0	0	109.1	K61 L62 A149 M169 C170 W174 G175	K61-F172 HydrophobicContact CB-CE1 4.39Å; K61-F172 HydrophobicContact CD-CD1 4.19Å; K61-F172 HydrophobicContact CD-CE1 3.65Å; K61-F172 HydrophobicContact CD-CZ 4.19Å; K61-F172 HydrophobicContact CG-CE1 4.47Å; L62-F172 HydrophobicContact CD2-CE2 3.85Å; L62-F172 HydrophobicContact CD2-CZ 3.96Å; L62-F172 HydrophobicContact CG-CE2 4.45Å; L62-F172 HydrophobicContact CG-CZ 4.15Å; A149-F172 HydrophobicContact CB-CD2 4.24Å; A149-F172 HydrophobicContact CB-CE1 4.46Å; A149-F172 HydrophobicContact CB-CE2 3.52Å; A149-F172 HydrophobicContact CB-CZ 3.65Å; M169-F172 PolarHBondContact O-N 3.34Å; C170-F172 PolarHBondContact O-N 3.03Å; F172-W174 HydrophobicContact CB-CD2 4.05Å; F172-W174 HydrophobicContact CB-CG 4.44Å; F172-W174 HydrophobicContact CB-CH2 4.48Å; F172-W174 HydrophobicContact CB-CZ2 3.95Å; F172-W174 HydrophobicContact CD1-CH2 4.47Å; F172-W174 AromaticContact CD1-CZ2 3.64Å; F172-W174 HydrophobicContact CD1-CZ2 3.64Å; F172-W174 HydrophobicContact CE1-CZ2 4.32Å; F172-W174 HydrophobicContact CG-CH2 4.35Å; F172-W174 AromaticContact CG-CZ2 3.84Å; F172-W174 HydrophobicContact CG-CZ2 3.84Å; F172-W174 PolarHBondContact O-N 3.43Å; F172-G175 PolarHBondContact O-N 2.96Å
173	K	95.4	Very high	96.4	Very high	221 Å²	221	52.9 Å²	52.9	96%	0.961	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-36.4	179.7	-66.4	-173.5	176.5	-174.6	0	112.6
174	W	95.1	Very high	96.4	Very high	57 Å²	57	54.3 Å²	54.3	22%	0.216	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-5.2	177.7	52.6	-97.3	0	0	0	113.3	N136 P137 S147 E150 M169 F172 Q176 G177 F178	N136-W174 HydrophobicContact CB-CD2 4.3Å; N136-W174 HydrophobicContact CB-CE3 4.19Å; N136-W174 HydrophobicContact CB-CH2 3.81Å; N136-W174 HydrophobicContact CB-CZ2 3.89Å; N136-W174 HydrophobicContact CB-CZ3 3.95Å; P137-W174 HydrophobicContact CG-CG 4.13Å; S147-W174 WeakPolarHBondContact OG-CH2 3.25Å; E150-W174 HydrophobicContact CG-CH2 3.84Å; E150-W174 HydrophobicContact CG-CZ3 3.5Å; E150-W174 VanDerWaalsContact CG-CZ3 3.5Å; E150-W174 WeakPolarHBondContact OE1-CZ3 3.43Å; M169-W174 HydrophobicContact CE-CE3 4.12Å; M169-W174 HydrophobicContact CE-CH2 4.1Å; M169-W174 HydrophobicContact CE-CZ3 3.45Å; M169-W174 VanDerWaalsContact CE-CZ3 3.45Å; F172-W174 HydrophobicContact CB-CD2 4.05Å; F172-W174 HydrophobicContact CB-CG 4.44Å; F172-W174 HydrophobicContact CB-CH2 4.48Å; F172-W174 HydrophobicContact CB-CZ2 3.95Å; F172-W174 HydrophobicContact CD1-CH2 4.47Å; F172-W174 AromaticContact CD1-CZ2 3.64Å; F172-W174 HydrophobicContact CD1-CZ2 3.64Å; F172-W174 HydrophobicContact CE1-CZ2 4.32Å; F172-W174 HydrophobicContact CG-CH2 4.35Å; F172-W174 AromaticContact CG-CZ2 3.84Å; F172-W174 HydrophobicContact CG-CZ2 3.84Å; F172-W174 PolarHBondContact O-N 3.43Å; W174-Q176 PolarHBondContact O-N 3.36Å; W174-G177 WeakPolarHBondContact O-CA 3.36Å; W174-G177 PolarHBondContact O-N 3.5Å; W174-F178 PolarHBondContact O-N 3.33Å
175	G	95.7	Very high	96.3	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-68	-37	-166.1	0	0	0	0	0	114	M169 F172 G177 F178	M169-G175 WeakPolarHBondContact CE-O 3.22Å; M169-G175 WeakPolarHBondContact O-CA 3.34Å; F172-G175 PolarHBondContact O-N 2.96Å; G175-G177 PolarHBondContact O-N 3.3Å; G175-F178 WeakPolarHBondContact O-CB 3.36Å; G175-F178 PolarHBondContact O-N 3.42Å; G175-F178 VanDerWaalsContact O-N 3.13Å
176	Q	94.7	Very high	96.3	Very high	87 Å²	87	54.7 Å²	54.7	41%	0.407	27%	0.274	S	S	.	.	H	α-helix	trans	-61.5	-36.2	172	-68.3	-58	-26.9	0	0	111.7	C170 W174 F178 L179 T180	C170-Q176 PolarHBondContact SG-NE2 3.39Å; W174-Q176 PolarHBondContact O-N 3.36Å; Q176-F178 PolarHBondContact O-N 2.73Å; Q176-L179 PolarHBondContact O-N 3.2Å; Q176-L179 VanDerWaalsContact O-N 3.14Å; Q176-T180 PolarHBondContact O-N 2.86Å; Q176-T180 PolarHBondContact O-OG1 3.29Å
177	G	96.7	Very high	96.3	Very high	36 Å²	36	52.8 Å²	52.8	37%	0.371	27%	0.267	S	S	.	.	H	α-helix	trans	-58.2	-32.3	175.2	0	0	0	0	0	113.3	W174 G175 L181	W174-G177 WeakPolarHBondContact O-CA 3.36Å; W174-G177 PolarHBondContact O-N 3.5Å; G175-G177 PolarHBondContact O-N 3.3Å; G177-L181 WeakPolarHBondContact O-CB 3.49Å; G177-L181 PolarHBondContact O-N 3.22Å
178	F	98.2	Very high	96.2	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-63.8	-46.5	175.1	176.8	-109.8	0	0	0	112.8	L132 A135 L146 E150 A153 A154 M169 W174 G175 Q176 N182	L132-F178 HydrophobicContact CD1-CZ 4.43Å; A135-F178 VanDerWaalsContact CB-CA 3.43Å; A135-F178 HydrophobicContact CB-CB 3.79Å; A135-F178 HydrophobicContact CB-CD2 4.22Å; L146-F178 HydrophobicContact CD1-CZ 4.49Å; L146-F178 HydrophobicContact CD2-CE2 3.76Å; L146-F178 HydrophobicContact CD2-CZ 4.41Å; E150-F178 HydrophobicContact CB-CD1 4.35Å; E150-F178 HydrophobicContact CB-CD2 4.02Å; E150-F178 HydrophobicContact CB-CE1 4.1Å; E150-F178 HydrophobicContact CB-CE2 3.78Å; E150-F178 HydrophobicContact CB-CG 4.31Å; E150-F178 HydrophobicContact CB-CZ 3.81Å; E150-F178 HydrophobicContact CG-CB 4.31Å; E150-F178 HydrophobicContact CG-CD1 4.14Å; E150-F178 HydrophobicContact CG-CD2 3.58Å; E150-F178 HydrophobicContact CG-CE1 4.39Å; E150-F178 HydrophobicContact CG-CE2 3.88Å; E150-F178 HydrophobicContact CG-CG 3.73Å; E150-F178 HydrophobicContact CG-CZ 4.27Å; E150-F178 WeakPolarHBondContact OE1-CD2 3.22Å; A153-F178 HydrophobicContact CB-CD1 4.41Å; A153-F178 HydrophobicContact CB-CE1 4.21Å; A154-F178 HydrophobicContact CB-CE1 4.3Å; A154-F178 HydrophobicContact CB-CZ 4.11Å; M169-F178 HydrophobicContact CE-CB 3.56Å; M169-F178 HydrophobicContact CE-CD1 3.91Å; M169-F178 HydrophobicContact CE-CG 3.97Å; M169-F178 HydrophobicContact SD-CD1 4.45Å; W174-F178 PolarHBondContact O-N 3.33Å; G175-F178 WeakPolarHBondContact O-CB 3.36Å; G175-F178 PolarHBondContact O-N 3.42Å; G175-F178 VanDerWaalsContact O-N 3.13Å; Q176-F178 PolarHBondContact O-N 2.73Å; F178-N182 WeakPolarHBondContact CD2-ND2 3.43Å; F178-N182 VanDerWaalsContact CE2-ND2 3.31Å; F178-N182 WeakPolarHBondContact CE2-ND2 3.41Å; F178-N182 PolarHBondContact O-N 3.1Å; F178-N182 PolarHBondContact O-ND2 3.43Å
179	L	97.4	Very high	96.2	Very high	13 Å²	13	52.2 Å²	52.2	7%	0.068	26%	0.264	C	S	.	.	H	α-helix	trans	-68.6	-41.1	-179.2	-63.8	178.5	0	0	0	110.8	Y157 K166 M169 Q176 H183 L186	Y157-L179 HydrophobicContact CD2-CD2 3.91Å; Y157-L179 HydrophobicContact CE2-CD2 4.3Å; K166-L179 HydrophobicContact CB-CD1 4.49Å; K166-L179 HydrophobicContact CG-CD1 3.83Å; M169-L179 HydrophobicContact CB-CD1 4.39Å; M169-L179 HydrophobicContact CG-CD1 4.42Å; M169-L179 HydrophobicContact CG-CG 4.36Å; Q176-L179 PolarHBondContact O-N 3.2Å; Q176-L179 VanDerWaalsContact O-N 3.14Å; L179-H183 VanDerWaalsContact O-CA 3.31Å; L179-H183 WeakPolarHBondContact O-CA 3.5Å; L179-H183 WeakPolarHBondContact O-CB 3.26Å; L179-H183 PolarHBondContact O-N 3.09Å; L179-L186 HydrophobicContact CD2-CD1 4.06Å
180	T	97.1	Very high	96.1	Very high	107 Å²	107	56.4 Å²	56.4	66%	0.656	28%	0.282	S	S	*	.	H	α-helix	trans	-65.2	-47.9	175.6	-54.9	0	0	0	0	111.8	Q176 N182 H183	Q176-T180 PolarHBondContact O-N 2.86Å; Q176-T180 PolarHBondContact O-OG1 3.29Å; T180-N182 PolarHBondContact O-N 2.9Å; T180-H183 PolarHBondContact O-N 2.95Å
181	L	97	Very high	96	Very high	60 Å²	60	57 Å²	57	31%	0.314	28%	0.283	S	S	.	.	H	α-helix	trans	-60	-34.5	-178	178.5	63.2	0	0	0	112.7	I133 A135 G177	I133-L181 HydrophobicContact CB-CD2 3.81Å; I133-L181 HydrophobicContact CB-CG 4.21Å; I133-L181 HydrophobicContact CD1-CD1 4.18Å; I133-L181 HydrophobicContact CD1-CG 4.21Å; I133-L181 HydrophobicContact CG2-CD2 3.76Å; A135-L181 HydrophobicContact CB-CD2 4.03Å; G177-L181 WeakPolarHBondContact O-CB 3.49Å; G177-L181 PolarHBondContact O-N 3.22Å
182	N	97.4	Very high	96	Very high	1 Å²	1	55.1 Å²	55.1	1%	0.005	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.8	12.9	-176.1	-63.4	-76.9	0	0	0	113.4	L132 I133 F178 T180 E184 Y185 L186	L132-N182 HydrophobicContact CD2-CB 3.81Å; I133-N182 PolarHBondContact N-OD1 3.18Å; I133-N182 PolarHBondContact O-ND2 3.48Å; F178-N182 WeakPolarHBondContact CD2-ND2 3.43Å; F178-N182 VanDerWaalsContact CE2-ND2 3.31Å; F178-N182 WeakPolarHBondContact CE2-ND2 3.41Å; F178-N182 PolarHBondContact O-N 3.1Å; F178-N182 PolarHBondContact O-ND2 3.43Å; T180-N182 PolarHBondContact O-N 2.9Å; N182-E184 PolarHBondContact O-N 3.38Å; N182-Y185 HydrophobicContact CB-CD2 4.3Å; N182-Y185 PolarHBondContact O-N 3.1Å; N182-Y185 VanDerWaalsContact O-N 3.12Å; N182-L186 HydrophobicContact CB-CD1 4.06Å; N182-L186 HydrophobicContact CB-CG 4.09Å; N182-L186 WeakPolarHBondContact O-CB 3.36Å; N182-L186 WeakPolarHBondContact O-CG 3.44Å; N182-L186 PolarHBondContact O-N 3.09Å
183	H	96.9	Very high	95.8	Very high	94 Å²	94	62.4 Å²	62.4	44%	0.435	31%	0.308	S	S	.	.	H	α-helix	trans	-54	-49.7	-171.2	178.9	-91.9	0	0	0	112.5	L179 T180 Y185 L186 E187	L179-H183 VanDerWaalsContact O-CA 3.31Å; L179-H183 WeakPolarHBondContact O-CA 3.5Å; L179-H183 WeakPolarHBondContact O-CB 3.26Å; L179-H183 PolarHBondContact O-N 3.09Å; T180-H183 PolarHBondContact O-N 2.95Å; H183-Y185 VanDerWaalsContact C-N 3.35Å; H183-Y185 PolarHBondContact O-N 2.93Å; H183-L186 PolarHBondContact O-N 3.42Å; H183-E187 IonicContact NE2-OE1 3.9Å; H183-E187 PolarHBondContact O-N 2.85Å
184	E	95.4	Very high	95.6	Very high	142 Å²	142	54.5 Å²	54.5	66%	0.664	28%	0.279	S	S	*	.	H	α-helix	trans	-58.7	-45	179	-64.1	-179.3	169.5	0	0	112	N182 E188	N182-E184 PolarHBondContact O-N 3.38Å; E184-E188 WeakPolarHBondContact O-CB 3.3Å; E184-E188 PolarHBondContact O-N 3.28Å; E184-E188 VanDerWaalsContact O-N 3.09Å
185	Y	95.5	Very high	95.3	Very high	22 Å²	22	53.4 Å²	53.4	9%	0.086	28%	0.281	C	S	.	.	H	α-helix	trans	-65.7	-44	178.7	-52.9	-36.7	0	0	0	111.9	L132 I133 N182 H183 E188 Y189 N205 K209	L132-Y185 HydrophobicContact CD2-CD2 4.44Å; I133-Y185 HydrophobicContact CD1-CE2 4.1Å; I133-Y185 HydrophobicContact CG1-CE2 4.18Å; N182-Y185 HydrophobicContact CB-CD2 4.3Å; N182-Y185 PolarHBondContact O-N 3.1Å; N182-Y185 VanDerWaalsContact O-N 3.12Å; H183-Y185 VanDerWaalsContact C-N 3.35Å; H183-Y185 PolarHBondContact O-N 2.93Å; Y185-E188 PolarHBondContact O-N 2.86Å; Y185-Y189 WeakPolarHBondContact O-CB 3.37Å; Y185-Y189 WeakPolarHBondContact O-CD2 3.41Å; Y185-Y189 PolarHBondContact O-N 3.03Å; Y185-N205 HydrophobicContact CD1-CB 3.98Å; Y185-N205 VanDerWaalsContact CD1-CG 3.4Å; Y185-N205 WeakPolarHBondContact CD1-ND2 3.1Å; Y185-N205 HydrophobicContact CE1-CB 3.83Å; Y185-K209 WeakPolarHBondContact OH-CE 3.49Å
186	L	96.8	Very high	95.1	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-66.6	-40.8	-178	-71.3	173.1	0	0	0	112.1	L132 A154 Y157 I158 L179 N182 H183 K190	L132-L186 HydrophobicContact CD1-CD2 4.24Å; L132-L186 HydrophobicContact CD2-CD2 3.95Å; L132-L186 HydrophobicContact CD2-CG 4.21Å; A154-L186 HydrophobicContact CB-CD2 4.33Å; Y157-L186 HydrophobicContact CD1-CB 3.65Å; Y157-L186 HydrophobicContact CD1-CD1 4.38Å; Y157-L186 HydrophobicContact CD1-CG 4.41Å; Y157-L186 HydrophobicContact CD2-CD1 4.37Å; Y157-L186 HydrophobicContact CE1-CB 3.77Å; Y157-L186 HydrophobicContact CG-CB 4.29Å; Y157-L186 HydrophobicContact CG-CD1 4.2Å; I158-L186 HydrophobicContact CG1-CD2 4.26Å; L179-L186 HydrophobicContact CD2-CD1 4.06Å; N182-L186 HydrophobicContact CB-CD1 4.06Å; N182-L186 HydrophobicContact CB-CG 4.09Å; N182-L186 WeakPolarHBondContact O-CB 3.36Å; N182-L186 WeakPolarHBondContact O-CG 3.44Å; N182-L186 PolarHBondContact O-N 3.09Å; H183-L186 PolarHBondContact O-N 3.42Å; L186-K190 WeakPolarHBondContact O-CB 3.43Å; L186-K190 PolarHBondContact O-N 3.39Å
187	E	96.3	Very high	95	Very high	51 Å²	51	61 Å²	61	24%	0.238	32%	0.317	C	S	.	.	H	α-helix	trans	-65.1	-44.1	173.9	-69.4	-54.9	145.4	0	0	111.4	Y157 K162 H183 Y189 K190 T191	Y157-E187 VanDerWaalsContact CE1-OE1 3.22Å; Y157-E187 WeakPolarHBondContact CE1-OE1 3.49Å; Y157-E187 VanDerWaalsContact CZ-OE1 3.26Å; Y157-E187 PolarHBondContact OH-OE1 2.87Å; K162-E187 IonicContact NZ-OE1 2.62Å; K162-E187 PolarHBondContact NZ-OE1 3.03Å; K162-E187 IonicContact NZ-OE2 2.88Å; K162-E187 PolarHBondContact NZ-OE2 2.86Å; H183-E187 IonicContact NE2-OE1 3.9Å; H183-E187 PolarHBondContact O-N 2.85Å; E187-Y189 PolarHBondContact O-N 3.14Å; E187-K190 PolarHBondContact O-N 2.81Å; E187-T191 WeakPolarHBondContact O-CG2 3.47Å; E187-T191 PolarHBondContact O-N 3.12Å
188	E	95.3	Very high	94.8	Very high	51 Å²	51	59.4 Å²	59.4	24%	0.238	30%	0.3	C	S	.	.	H	α-helix	trans	-60.3	-49.1	177.5	-172.9	178.9	-158.6	0	0	111.5	E184 Y185 K190 T191 C192 A201 R204 N205	E184-E188 WeakPolarHBondContact O-CB 3.3Å; E184-E188 PolarHBondContact O-N 3.28Å; E184-E188 VanDerWaalsContact O-N 3.09Å; Y185-E188 PolarHBondContact O-N 2.86Å; E188-K190 VanDerWaalsContact C-N 3.31Å; E188-K190 PolarHBondContact O-N 2.87Å; E188-T191 PolarHBondContact O-N 2.99Å; E188-T191 VanDerWaalsContact O-N 3.1Å; E188-T191 PolarHBondContact O-OG1 3.2Å; E188-C192 PolarHBondContact O-N 3.3Å; E188-C192 PolarHBondContact O-SG 3.01Å; E188-C192 VanDerWaalsContact O-SG 3.33Å; E188-A201 HydrophobicContact CG-CB 3.9Å; E188-R204 IonicContact OE1-CZ 3.79Å; E188-R204 IonicContact OE1-NH1 2.62Å; E188-R204 PolarHBondContact OE1-NH1 2.87Å; E188-N205 PolarHBondContact OE2-ND2 2.73Å; E188-N205 PolarHBondContact OE2-OD1 3.03Å
189	Y	95.9	Very high	94.5	Very high	1 Å²	1	62.9 Å²	62.9	0%	0.004	32%	0.318	C	S	.	.	H	α-helix	trans	-62.8	-35.4	178.2	-62.8	-33.6	0	0	0	112.9	P130 Y131 L132 I158 Y185 E187 T191 C192 M198 A201 N205	P130-Y189 HydrophobicContact CB-CD1 4.23Å; P130-Y189 HydrophobicContact CB-CD2 4.01Å; P130-Y189 HydrophobicContact CB-CE1 3.9Å; P130-Y189 HydrophobicContact CB-CE2 3.67Å; P130-Y189 HydrophobicContact CB-CG 4.3Å; P130-Y189 HydrophobicContact CG-CD1 4.3Å; P130-Y189 HydrophobicContact CG-CD2 3.44Å; P130-Y189 VanDerWaalsContact CG-CD2 3.44Å; P130-Y189 HydrophobicContact CG-CE1 4.36Å; P130-Y189 HydrophobicContact CG-CE2 3.52Å; P130-Y189 HydrophobicContact CG-CG 3.88Å; Y131-Y189 VanDerWaalsContact O-CE2 3.3Å; Y131-Y189 WeakPolarHBondContact O-CE2 3.04Å; Y131-Y189 PolarHBondContact O-OH 3.2Å; L132-Y189 HydrophobicContact CD2-CD2 4.4Å; L132-Y189 HydrophobicContact CD2-CE2 3.96Å; L132-Y189 HydrophobicContact CG-CE2 4.3Å; I158-Y189 HydrophobicContact CD1-CD2 4.28Å; Y185-Y189 WeakPolarHBondContact O-CB 3.37Å; Y185-Y189 WeakPolarHBondContact O-CD2 3.41Å; Y185-Y189 PolarHBondContact O-N 3.03Å; E187-Y189 PolarHBondContact O-N 3.14Å; Y189-T191 VanDerWaalsContact C-N 3.27Å; Y189-T191 PolarHBondContact O-N 3.23Å; Y189-C192 WeakPolarHBondContact O-CB 3.42Å; Y189-C192 PolarHBondContact O-N 3.26Å; Y189-M198 HydrophobicContact CD1-SD 3.45Å; Y189-M198 WeakPolarHBondContact CD1-SD 3.43Å; Y189-M198 HydrophobicContact CE1-SD 4.29Å; Y189-M198 HydrophobicContact CG-SD 3.71Å; Y189-A201 HydrophobicContact CD1-CB 3.94Å; Y189-A201 HydrophobicContact CE1-CB 3.75Å; Y189-N205 PolarHBondContact OH-ND2 2.98Å
190	K	94.8	Very high	94.3	Very high	88 Å²	88	63.6 Å²	63.6	38%	0.383	33%	0.326	S	S	.	.	H	α-helix	trans	-61.3	-35.4	174.4	-179.8	-173.9	173.2	-166.6	0	112	K162 L186 E187 E188 C192	K162-K190 VanDerWaalsContact CE-CD 3.49Å; L186-K190 WeakPolarHBondContact O-CB 3.43Å; L186-K190 PolarHBondContact O-N 3.39Å; E187-K190 PolarHBondContact O-N 2.81Å; E188-K190 VanDerWaalsContact C-N 3.31Å; E188-K190 PolarHBondContact O-N 2.87Å; K190-C192 VanDerWaalsContact C-N 3.32Å
191	T	94.5	Very high	94	Very high	98 Å²	98	58.6 Å²	58.6	60%	0.601	30%	0.295	S	S	*	.	H	α-helix	trans	-78.1	-14.5	-178.8	64.4	0	0	0	0	114.1	E187 E188 Y189 K193	E187-T191 WeakPolarHBondContact O-CG2 3.47Å; E187-T191 PolarHBondContact O-N 3.12Å; E188-T191 PolarHBondContact O-N 2.99Å; E188-T191 VanDerWaalsContact O-N 3.1Å; E188-T191 PolarHBondContact O-OG1 3.2Å; Y189-T191 VanDerWaalsContact C-N 3.27Å; Y189-T191 PolarHBondContact O-N 3.23Å; T191-K193 PolarHBondContact O-N 3.3Å
192	C	93.8	Very high	93.8	Very high	15 Å²	15	57.7 Å²	57.7	10%	0.101	29%	0.29	C	S	.	.			trans	-67.6	128.3	-178.5	-67.5	0	0	0	0	111.5	P92 E188 Y189 K190 Q197 M198	P92-C192 WeakPolarHBondContact CG-O 3.48Å; E188-C192 PolarHBondContact O-N 3.3Å; E188-C192 PolarHBondContact O-SG 3.01Å; E188-C192 VanDerWaalsContact O-SG 3.33Å; Y189-C192 WeakPolarHBondContact O-CB 3.42Å; Y189-C192 PolarHBondContact O-N 3.26Å; K190-C192 VanDerWaalsContact C-N 3.32Å; C192-Q197 HydrophobicContact CB-CB 4.04Å; C192-M198 HydrophobicContact CB-CB 4.49Å; C192-M198 HydrophobicContact CB-CE 4.09Å
193	K	91.7	Very high	93.5	Very high	166 Å²	166	64.2 Å²	64.2	72%	0.722	31%	0.314	S	S	*	.			trans	-105.1	-9.5	179.3	-62.5	-175.1	-178.1	179.8	0	113.9	P92 T191	P92-K193 VanDerWaalsContact CG-C 3.47Å; T191-K193 PolarHBondContact O-N 3.3Å
194	T	90.8	Very high	93.2	Very high	56 Å²	56	65.4 Å²	65.4	34%	0.344	32%	0.315	S	S	.	.	S	Bend	trans	-133.5	157.6	174.7	71.6	0	0	0	0	111.7	E196 Q197 M198	T194-E196 PolarHBondContact O-N 3.18Å; T194-Q197 PolarHBondContact O-N 2.89Å; T194-Q197 WeakPolarHBondContact OG1-CG 3.31Å; T194-Q197 PolarHBondContact OG1-N 3.3Å; T194-Q197 VanDerWaalsContact OG1-N 3.15Å; T194-M198 PolarHBondContact O-N 3.06Å; T194-M198 VanDerWaalsContact O-N 3.16Å
195	A	89.4	Confident	92.9	Very high	33 Å²	33	59.3 Å²	59.3	27%	0.273	29%	0.287	S	S	.	.	H	α-helix	trans	-60.3	-32.7	172.6	0	0	0	0	0	112.2	K91 M198 L199	K91-A195 HydrophobicContact CD-CB 4.46Å; K91-A195 HydrophobicContact CG-CB 4.26Å; A195-M198 WeakPolarHBondContact O-CB 3.37Å; A195-M198 PolarHBondContact O-N 3.48Å; A195-L199 WeakPolarHBondContact O-CG 3.44Å; A195-L199 PolarHBondContact O-N 2.81Å
196	E	91.5	Very high	92.5	Very high	156 Å²	156	61.6 Å²	61.6	73%	0.729	30%	0.299	S	S	*	.	H	α-helix	trans	-65.5	-41.7	176.6	-65.1	178.3	178.9	0	0	112.2	T194 L199 A200	T194-E196 PolarHBondContact O-N 3.18Å; E196-L199 PolarHBondContact O-N 3.3Å; E196-A200 WeakPolarHBondContact O-CB 3.37Å; E196-A200 PolarHBondContact O-N 3.41Å
197	Q	93.3	Very high	91.7	Very high	90 Å²	90	66.9 Å²	66.9	42%	0.421	32%	0.324	S	S	.	.	H	α-helix	trans	-62.8	-43.1	174.8	-74	175	-4.9	0	0	111.3	C192 T194 L199 A200 A201	C192-Q197 HydrophobicContact CB-CB 4.04Å; T194-Q197 PolarHBondContact O-N 2.89Å; T194-Q197 WeakPolarHBondContact OG1-CG 3.31Å; T194-Q197 PolarHBondContact OG1-N 3.3Å; T194-Q197 VanDerWaalsContact OG1-N 3.15Å; Q197-L199 VanDerWaalsContact C-N 3.34Å; Q197-L199 PolarHBondContact O-N 3.37Å; Q197-A200 PolarHBondContact O-N 3.09Å; Q197-A201 WeakPolarHBondContact O-CB 3.42Å; Q197-A201 PolarHBondContact O-N 3.42Å
198	M	91.7	Very high	90.1	Very high	3 Å²	3	66.9 Å²	66.9	2%	0.015	33%	0.329	C	S	.	.	H	α-helix	trans	-58.5	-45.5	175.7	-170.6	70.2	70.3	0	0	111.5	P130 I158 Y189 C192 T194 A195 Q202	P130-M198 HydrophobicContact CB-CG 4.44Å; P130-M198 HydrophobicContact CB-SD 4.13Å; P130-M198 HydrophobicContact CG-SD 4.07Å; I158-M198 HydrophobicContact CG2-CE 4.09Å; Y189-M198 HydrophobicContact CD1-SD 3.45Å; Y189-M198 WeakPolarHBondContact CD1-SD 3.43Å; Y189-M198 HydrophobicContact CE1-SD 4.29Å; Y189-M198 HydrophobicContact CG-SD 3.71Å; C192-M198 HydrophobicContact CB-CB 4.49Å; C192-M198 HydrophobicContact CB-CE 4.09Å; T194-M198 PolarHBondContact O-N 3.06Å; T194-M198 VanDerWaalsContact O-N 3.16Å; A195-M198 WeakPolarHBondContact O-CB 3.37Å; A195-M198 PolarHBondContact O-N 3.48Å; M198-Q202 WeakPolarHBondContact O-CB 3.43Å; M198-Q202 PolarHBondContact O-N 2.81Å
199	L	91.5	Very high	88.5	Confident	74 Å²	74	66 Å²	66	39%	0.387	32%	0.324	S	S	.	.	H	α-helix	trans	-68.1	-36.5	177.2	-69.7	173	0	0	0	112.5	C89 A195 E196 Q197 Q202 R203	C89-L199 HydrophobicContact CB-CD2 4.4Å; A195-L199 WeakPolarHBondContact O-CG 3.44Å; A195-L199 PolarHBondContact O-N 2.81Å; E196-L199 PolarHBondContact O-N 3.3Å; Q197-L199 VanDerWaalsContact C-N 3.34Å; Q197-L199 PolarHBondContact O-N 3.37Å; L199-Q202 PolarHBondContact O-N 2.91Å; L199-R203 WeakPolarHBondContact O-CG 3.33Å; L199-R203 PolarHBondContact O-N 2.86Å
200	A	93	Very high	86.7	Confident	28 Å²	28	72.1 Å²	72.1	23%	0.231	36%	0.357	C	S	.	.	H	α-helix	trans	-66.9	-43.9	176.2	0	0	0	0	0	111.9	E196 Q197 Q202 R203 R204	E196-A200 WeakPolarHBondContact O-CB 3.37Å; E196-A200 PolarHBondContact O-N 3.41Å; Q197-A200 PolarHBondContact O-N 3.09Å; A200-Q202 VanDerWaalsContact C-N 3.33Å; A200-R203 PolarHBondContact O-N 3.08Å; A200-R204 PolarHBondContact O-N 2.96Å; A200-R204 VanDerWaalsContact O-N 3.08Å
201	A	92.6	Very high	84.8	Confident	1 Å²	1	78.2 Å²	78.2	1%	0.008	38%	0.378	C	S	.	.	H	α-helix	trans	-57.9	-47	171.6	0	0	0	0	0	111.3	E188 Y189 Q197 R203 R204 N205	E188-A201 HydrophobicContact CG-CB 3.9Å; Y189-A201 HydrophobicContact CD1-CB 3.94Å; Y189-A201 HydrophobicContact CE1-CB 3.75Å; Q197-A201 WeakPolarHBondContact O-CB 3.42Å; Q197-A201 PolarHBondContact O-N 3.42Å; A201-R203 PolarHBondContact O-N 3.4Å; A201-R204 PolarHBondContact O-N 3.35Å; A201-N205 WeakPolarHBondContact O-CB 2.94Å; A201-N205 VanDerWaalsContact O-CG 3.23Å; A201-N205 PolarHBondContact O-N 3.44Å; A201-N205 PolarHBondContact O-ND2 3.47Å
202	Q	91.6	Very high	82.9	Confident	42 Å²	42	81.8 Å²	81.8	20%	0.196	38%	0.38	C	S	.	.	H	α-helix	trans	-57.5	-47.8	176.3	178.4	174.3	-42.1	0	0	112.6	M198 L199 A200 N205 M206	M198-Q202 WeakPolarHBondContact O-CB 3.43Å; M198-Q202 PolarHBondContact O-N 2.81Å; L199-Q202 PolarHBondContact O-N 2.91Å; A200-Q202 VanDerWaalsContact C-N 3.33Å; Q202-N205 PolarHBondContact O-N 2.98Å; Q202-M206 HydrophobicContact CG-CE 3.76Å; Q202-M206 HydrophobicContact CG-SD 4.31Å; Q202-M206 WeakPolarHBondContact O-CG 3.48Å; Q202-M206 PolarHBondContact O-N 3.33Å
203	R	92.2	Very high	80.9	Confident	138 Å²	138	87.6 Å²	87.6	52%	0.521	41%	0.41	S	S	.	.	H	α-helix	trans	-59.5	-47.7	178.5	-75.6	-171.2	-62.5	-88.3	3	111.8	L199 A200 A201 N205 M206 E207	L199-R203 WeakPolarHBondContact O-CG 3.33Å; L199-R203 PolarHBondContact O-N 2.86Å; A200-R203 PolarHBondContact O-N 3.08Å; A201-R203 PolarHBondContact O-N 3.4Å; R203-N205 VanDerWaalsContact C-N 3.29Å; R203-N205 PolarHBondContact O-N 2.62Å; R203-M206 PolarHBondContact O-N 3.42Å; R203-M206 VanDerWaalsContact O-N 3.17Å; R203-E207 WeakPolarHBondContact O-CG 3.41Å; R203-E207 PolarHBondContact O-N 3.34Å
204	R	90.5	Very high	78.4	Confident	118 Å²	118	81.3 Å²	81.3	45%	0.445	39%	0.393	S	S	.	.	H	α-helix	trans	-58	-42.2	177.6	-169.1	-174.8	-56	102.1	6.5	112.1	E188 A200 A201 M206 E207 C208	E188-R204 IonicContact OE1-CZ 3.79Å; E188-R204 IonicContact OE1-NH1 2.62Å; E188-R204 PolarHBondContact OE1-NH1 2.87Å; A200-R204 PolarHBondContact O-N 2.96Å; A200-R204 VanDerWaalsContact O-N 3.08Å; A201-R204 PolarHBondContact O-N 3.35Å; R204-M206 VanDerWaalsContact C-N 3.33Å; R204-M206 PolarHBondContact O-N 3.06Å; R204-E207 PolarHBondContact O-N 3.43Å; R204-C208 WeakPolarHBondContact O-CB 3.39Å; R204-C208 PolarHBondContact O-N 3.28Å; R204-C208 VanDerWaalsContact O-N 3.11Å; R204-C208 PolarHBondContact O-SG 3.27Å
205	N	88.2	Confident	75.8	Confident	15 Å²	15	85.6 Å²	85.6	8%	0.08	42%	0.422	C	S	.	.	H	α-helix	trans	-71.5	-27.1	-179.2	-69.7	-25.4	0	0	0	113.3	Y131 Y185 E188 Y189 A201 Q202 R203	Y131-N205 HydrophobicContact CD1-CB 4.31Å; Y185-N205 HydrophobicContact CD1-CB 3.98Å; Y185-N205 VanDerWaalsContact CD1-CG 3.4Å; Y185-N205 WeakPolarHBondContact CD1-ND2 3.1Å; Y185-N205 HydrophobicContact CE1-CB 3.83Å; E188-N205 PolarHBondContact OE2-ND2 2.73Å; E188-N205 PolarHBondContact OE2-OD1 3.03Å; Y189-N205 PolarHBondContact OH-ND2 2.98Å; A201-N205 WeakPolarHBondContact O-CB 2.94Å; A201-N205 VanDerWaalsContact O-CG 3.23Å; A201-N205 PolarHBondContact O-N 3.44Å; A201-N205 PolarHBondContact O-ND2 3.47Å; Q202-N205 PolarHBondContact O-N 2.98Å; R203-N205 VanDerWaalsContact C-N 3.29Å; R203-N205 PolarHBondContact O-N 2.62Å
206	M	87.4	Confident	73.2	Confident	69 Å²	69	90 Å²	90	34%	0.34	44%	0.441	S	S	.	.	H	α-helix	trans	-74.2	-49.6	171	-69.3	178.7	175.3	0	0	111.4	Y131 Q202 R203 R204 C208 K209 D210	Y131-M206 HydrophobicContact CD2-CE 3.67Å; Y131-M206 HydrophobicContact CD2-CG 3.78Å; Y131-M206 HydrophobicContact CE2-CG 4.15Å; Y131-M206 HydrophobicContact CG-CE 4.18Å; Y131-M206 HydrophobicContact CG-CG 4Å; Q202-M206 HydrophobicContact CG-CE 3.76Å; Q202-M206 HydrophobicContact CG-SD 4.31Å; Q202-M206 WeakPolarHBondContact O-CG 3.48Å; Q202-M206 PolarHBondContact O-N 3.33Å; R203-M206 PolarHBondContact O-N 3.42Å; R203-M206 VanDerWaalsContact O-N 3.17Å; R204-M206 VanDerWaalsContact C-N 3.33Å; R204-M206 PolarHBondContact O-N 3.06Å; M206-C208 PolarHBondContact O-N 3.35Å; M206-K209 PolarHBondContact O-N 3.17Å; M206-D210 PolarHBondContact O-N 3.49Å
207	E	79.4	Confident	70.8	Confident	111 Å²	111	93.3 Å²	93.3	52%	0.519	45%	0.446	S	S	.	.	H	α-helix	trans	-61.1	-39.3	-177.6	-71.1	167.9	-168.1	0	0	113.1	R203 R204 K209 D210 R211	R203-E207 WeakPolarHBondContact O-CG 3.41Å; R203-E207 PolarHBondContact O-N 3.34Å; R204-E207 PolarHBondContact O-N 3.43Å; E207-K209 PolarHBondContact O-N 3.35Å; E207-D210 PolarHBondContact O-N 3.29Å; E207-R211 PolarHBondContact O-N 2.78Å
208	C	63.6	Low	68	Low	52 Å²	52	96.2 Å²	96.2	35%	0.351	47%	0.465	S	S	.	.	H	α-helix	trans	-61.7	-24	177.4	-80.2	0	0	0	0	113.1	R204 M206 R212	R204-C208 WeakPolarHBondContact O-CB 3.39Å; R204-C208 PolarHBondContact O-N 3.28Å; R204-C208 VanDerWaalsContact O-N 3.11Å; R204-C208 PolarHBondContact O-SG 3.27Å; M206-C208 PolarHBondContact O-N 3.35Å; C208-R212 VanDerWaalsContact O-CG 3.26Å; C208-R212 WeakPolarHBondContact O-CG 3.34Å; C208-R212 PolarHBondContact O-N 3.07Å
209	K	60.8	Low	65.6	Low	32 Å²	32	101.9 Å²	101.9	14%	0.139	50%	0.499	C	S	.	.	H	α-helix	trans	-85.3	-37.3	178.9	-76.2	-177.7	173.5	-165.2	0	113.3	Y131 Y185 M206 E207 R211 R212 N213	Y131-K209 HydrophobicContact CE1-CD 3.79Å; Y131-K209 VanDerWaalsContact CE1-NZ 3.29Å; Y131-K209 WeakPolarHBondContact OH-CD 3.16Å; Y131-K209 WeakPolarHBondContact OH-CE 3.45Å; Y131-K209 PolarHBondContact OH-NZ 3.08Å; Y185-K209 WeakPolarHBondContact OH-CE 3.49Å; M206-K209 PolarHBondContact O-N 3.17Å; E207-K209 PolarHBondContact O-N 3.35Å; K209-R211 PolarHBondContact O-N 3.18Å; K209-R212 PolarHBondContact O-N 3.11Å; K209-R212 VanDerWaalsContact O-N 3.07Å; K209-N213 WeakPolarHBondContact O-CB 3.26Å; K209-N213 PolarHBondContact O-N 3.29Å
210	D	58.7	Low	62.9	Low	129 Å²	129	103.7 Å²	103.7	69%	0.69	52%	0.518	S	S	*	.	H	α-helix	trans	-61.2	-33.6	174.3	-66	-21.3	0	0	0	110.6	M206 E207 G214	M206-D210 PolarHBondContact O-N 3.49Å; E207-D210 PolarHBondContact O-N 3.29Å; D210-G214 PolarHBondContact O-N 3.18Å
211	R	54.3	Low	60.4	Low	216 Å²	216	107.5 Å²	107.5	82%	0.815	54%	0.543	S	S	*	.	H	α-helix	trans	-70.3	-38.6	172.6	-66.5	-174.9	178.6	-146.5	0.5	113.7	E207 K209	E207-R211 PolarHBondContact O-N 2.78Å; K209-R211 PolarHBondContact O-N 3.18Å
212	R	56.1	Low	57.7	Low	173 Å²	173	113 Å²	113	65%	0.653	58%	0.581	S	S	*	*	H	α-helix	trans	-79.5	-26.5	-179.5	-72.1	174.4	-172.5	177.5	3.9	113.3	C208 K209	C208-R212 VanDerWaalsContact O-CG 3.26Å; C208-R212 WeakPolarHBondContact O-CG 3.34Å; C208-R212 PolarHBondContact O-N 3.07Å; K209-R212 PolarHBondContact O-N 3.11Å; K209-R212 VanDerWaalsContact O-N 3.07Å
213	N	51.5	Low	55.6	Low	137 Å²	137	115.1 Å²	115.1	73%	0.733	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.3	16.1	177.4	-74.9	8.3	0	0	0	112.8	K209	K209-N213 WeakPolarHBondContact O-CB 3.26Å; K209-N213 PolarHBondContact O-N 3.29Å
214	G	37.5	Very low	53.3	Low	35 Å²	35	114.4 Å²	114.4	36%	0.361	62%	0.617	S	S	.	*	S	Bend	trans	-53.8	159.5	172.5	0	0	0	0	0	112.2	D210 N216	D210-G214 PolarHBondContact O-N 3.18Å; G214-N216 PolarHBondContact O-N 3.1Å
215	P	38	Very low	51.3	Low	146 Å²	146	114.2 Å²	114.2	95%	0.948	63%	0.634	S	S	*	*	S	Bend	trans	-68.1	25.7	-159	25.9	-35	0	0	0	117.4
216	N	34.9	Very low	49.3	Very low	125 Å²	125	119.4 Å²	119.4	67%	0.668	67%	0.671	S	S	*	*			trans	-142.6	86.8	-173.5	-147.2	-2.5	0	0	0	113.9	G214 N218	G214-N216 PolarHBondContact O-N 3.1Å; N216-N218 PolarHBondContact OD1-N 3.42Å
217	R	40.4	Very low	47.7	Very low	226 Å²	226	121.9 Å²	121.9	85%	0.853	70%	0.695	S	S	*	*			trans	-117.6	52.6	148	-77.7	-171.2	176.6	-172.4	-1.4	109.5	V219	R217-V219 PolarHBondContact O-N 2.71Å; R217-V219 VanDerWaalsContact O-N 3.1Å
218	N	33.9	Very low	46.3	Very low	150 Å²	150	121.6 Å²	121.6	80%	0.802	71%	0.706	S	S	*	*			trans	-75.8	80.7	150.4	-93.6	-4.5	0	0	0	107	N216 S220	N216-N218 PolarHBondContact OD1-N 3.42Å; N218-S220 PolarHBondContact O-N 3.18Å
219	V	42.6	Very low	45.8	Very low	122 Å²	122	124 Å²	124	74%	0.739	72%	0.723	S	S	*	*			trans	-72.7	103.4	160.5	-78.7	0	0	0	0	106.5	R217 S221	R217-V219 PolarHBondContact O-N 2.71Å; R217-V219 VanDerWaalsContact O-N 3.1Å; V219-S221 PolarHBondContact O-N 3.07Å
220	S	34	Very low	45.6	Very low	113 Å²	113	128 Å²	128	79%	0.79	76%	0.755	S	S	*	*			trans	-45	97.1	163.2	23.2	0	0	0	0	110.2	N218 S222	N218-S220 PolarHBondContact O-N 3.18Å; S220-S222 VanDerWaalsContact C-N 3.27Å; S220-S222 PolarHBondContact O-N 2.92Å; S220-S222 VanDerWaalsContact O-N 3.07Å
221	S	40.2	Very low	45.3	Very low	108 Å²	108	126.9 Å²	126.9	76%	0.755	76%	0.758	S	S	*	*			trans	-77.6	85.9	163.7	54.4	0	0	0	0	108.1	V219 S223	V219-S221 PolarHBondContact O-N 3.07Å; S221-S223 PolarHBondContact O-N 3.24Å
222	S	36.8	Very low	45.7	Very low	115 Å²	115	123.5 Å²	123.5	80%	0.804	76%	0.756	S	S	*	*			trans	-60.7	108.2	157.3	49.6	0	0	0	0	109	S220	S220-S222 VanDerWaalsContact C-N 3.27Å; S220-S222 PolarHBondContact O-N 2.92Å; S220-S222 VanDerWaalsContact O-N 3.07Å
223	S	47.8	Very low	45.7	Very low	88 Å²	88	120 Å²	120	62%	0.615	76%	0.757	S	S	*	*			trans	-157.3	87.5	159.9	54.6	0	0	0	0	109.9	S221	S221-S223 PolarHBondContact O-N 3.24Å
224	S	42	Very low	45.8	Very low	122 Å²	122	125.1 Å²	125.1	85%	0.853	79%	0.785	S	S	*	*			trans	11.4	111.5	135.3	48.2	0	0	0	0	116.9
225	S	50.1	Low	46.3	Very low	115 Å²	115	129.6 Å²	129.6	80%	0.804	81%	0.806	S	S	*	*			trans	-151.4	112.4	141.6	40.5	0	0	0	0	109.8
226	S	45.2	Very low	46.7	Very low	124 Å²	124	128.7 Å²	128.7	87%	0.867	80%	0.798	S	S	*	*			trans	-61.3	132.2	166.5	45.4	0	0	0	0	111.5
227	S	53.1	Low	47.3	Very low	120 Å²	120	128.9 Å²	128.9	84%	0.839	81%	0.806	S	S	*	*			trans	-154.9	117.1	150.5	55.1	0	0	0	0	109.9
228	S	50.5	Low	47.8	Very low	105 Å²	105	123.2 Å²	123.2	73%	0.734	80%	0.803	S	S	*	*			trans	-73.3	151.5	-177	44.6	0	0	0	0	114.4
229	S	52.6	Low	48.6	Very low	103 Å²	103	121.6 Å²	121.6	72%	0.72	80%	0.803	S	S	*	*			trans	55.1	121.6	140.4	63.2	0	0	0	0	120.1
230	S	56.8	Low	49	Very low	116 Å²	116	121.5 Å²	121.5	81%	0.811	81%	0.807	S	S	*	*				175	140.2	99.6	32.9	0	0	0	0	112.6
231	S	52.2	Low	50.1	Low	106 Å²	106	122.1 Å²	122.1	74%	0.741	81%	0.808	S	S	*	*			trans	11.2	137.2	155.8	-40.8	0	0	0	0	121.7
232	D	62.6	Low	50.9	Low	145 Å²	145	123.2 Å²	123.2	78%	0.775	81%	0.812	S	S	*	*				174.9	140.7	93	-119.5	-62.2	0	0	0	114.6
233	S	58.1	Low	52	Low	98 Å²	98	123.9 Å²	123.9	69%	0.685	81%	0.813	S	S	*	*			trans	56.5	114.1	146.4	-62.3	0	0	0	0	123.9
234	D	53.3	Low	52.4	Low	245 Å²	245	127.2 Å²	127.2	100%	1.31	83%	0.831	S	S	*	*				-164.9	0	111.2	-100.3	-32.7	0	0	0	110.5

Retrieved 234 of 234 residues in 63.7 ms (Link to these results)

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