A0A087YF03_POEFO Loading...

U3 small nucleolar ribonucleoprotein protein IMP3

Component of the 60-80S U3 small nucleolar ribonucleoprotein (U3 snoRNP). Required for the early cleavages during pre-18S ribosomal RNA processing. Part of the small subunit (SSU) processome, first precursor of the small eukaryotic ribosomal subunit. During the assembly of the SSU processome in the nucleolus, many ribosome biogenesis factors, an RNA chaperone and ribosomal proteins associate with the nascent pre-rRNA and work in concert to generate RNA folding, modifications, rearrangements and cleavage as well as targeted degradation of pre-ribosomal RNA by the RNA exosome.

AlphaFold DB , UniProt , Accession A0A087YF03, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 183 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	58.5	Low	88	Confident	247 Å²	247	133.4 Å²	133.4	100%	1.217	61%	0.606	S	S	*	*				0	139	0	-71.5	-177.7	-165.7	0	0	108.2
2	V	77.9	Confident	88.5	Confident	102 Å²	102	134.6 Å²	134.6	62%	0.618	62%	0.62	S	S	*	*	P	Polyproline II helix	trans	-80.7	148	-179	-174.3	0	0	0	0	109.8	F18	V2-F18 HydrophobicContact CG2-CD2 3.84Å; V2-F18 HydrophobicContact CG2-CE2 4.21Å
3	R	89.2	Confident	88.8	Confident	151 Å²	151	130.2 Å²	130.2	57%	0.57	60%	0.604	S	S	*	*	P	Polyproline II helix	trans	-58.3	150.3	175.5	72.1	175.5	179.1	91.4	-5.2	111.2	L5 E9	R3-L5 PolarHBondContact O-N 2.98Å; R3-E9 IonicContact CZ-OE1 3.49Å; R3-E9 IonicContact CZ-OE2 3.55Å; R3-E9 IonicContact NH1-OE1 3.33Å; R3-E9 PolarHBondContact NH1-OE1 3.21Å; R3-E9 IonicContact NH1-OE2 2.81Å; R3-E9 PolarHBondContact NH1-OE2 2.88Å; R3-E9 IonicContact NH2-OE1 2.71Å; R3-E9 PolarHBondContact NH2-OE1 3.27Å; R3-E9 IonicContact NH2-OE2 3.46Å; R3-E9 PolarHBondContact NH2-OE2 3.13Å
4	K	90.2	Very high	88.7	Confident	200 Å²	200	132.6 Å²	132.6	87%	0.87	61%	0.611	S	S	*	*	P	Polyproline II helix	trans	-65.1	127.4	172	-171.5	172.7	176.3	177.7	0	109.8
5	L	91.1	Very high	88.6	Confident	57 Å²	57	137.8 Å²	137.8	30%	0.298	63%	0.632	S	S	.	*	P	Polyproline II helix	trans	-69.7	142.4	177.3	-65.2	179.7	0	0	0	110.7	R3 E9 Q10 L13	R3-L5 PolarHBondContact O-N 2.98Å; L5-E9 WeakPolarHBondContact CA-OE2 3.48Å; L5-E9 HydrophobicContact CB-CB 4.05Å; L5-E9 HydrophobicContact CD2-CB 4.14Å; L5-Q10 HydrophobicContact CB-CB 4.37Å; L5-L13 HydrophobicContact CD1-CB 4.18Å; L5-L13 HydrophobicContact CD1-CD1 4.09Å; L5-L13 HydrophobicContact CD2-CD1 4.38Å
6	K	94.3	Very high	88.4	Confident	128 Å²	128	133.5 Å²	133.5	56%	0.557	62%	0.618	S	S	*	*	P	Polyproline II helix	trans	-70.9	162.3	169.8	-63.5	179.6	-178.8	177.5	0	109.8	H8 E9 Q10	K6-H8 VanDerWaalsContact C-N 3.33Å; K6-H8 PolarHBondContact O-N 3.09Å; K6-E9 HydrophobicContact CB-CG 4.17Å; K6-E9 PolarHBondContact N-OE2 3.19Å; K6-E9 WeakPolarHBondContact O-CB 3.38Å; K6-E9 PolarHBondContact O-N 3.48Å; K6-Q10 PolarHBondContact O-N 3.49Å
7	Y	93.9	Very high	88.2	Confident	181 Å²	181	130 Å²	130	71%	0.71	61%	0.605	S	S	*	*	H	α-helix	trans	-53.3	-45	-176.7	177.6	-108	0	0	0	113.8	Q10 K11	Y7-Q10 PolarHBondContact O-N 2.92Å; Y7-K11 PolarHBondContact O-N 2.68Å
8	H	95.6	Very high	87.9	Confident	112 Å²	112	131.1 Å²	131.1	52%	0.519	61%	0.608	S	S	.	*	H	α-helix	trans	-67.5	-37.8	178.4	57.7	-90.1	0	0	0	112.5	K6 K11 L12	K6-H8 VanDerWaalsContact C-N 3.33Å; K6-H8 PolarHBondContact O-N 3.09Å; H8-K11 PolarHBondContact O-N 3.44Å; H8-L12 WeakPolarHBondContact O-CG 3.47Å; H8-L12 PolarHBondContact O-N 2.9Å
9	E	92.7	Very high	87.5	Confident	34 Å²	34	131.4 Å²	131.4	16%	0.159	61%	0.613	C	S	.	*	H	α-helix	trans	-66.1	-43.5	177.3	-57.1	174.7	146.2	0	0	110.7	R3 L5 K6 K11 L12 L13	R3-E9 IonicContact CZ-OE1 3.49Å; R3-E9 IonicContact CZ-OE2 3.55Å; R3-E9 IonicContact NH1-OE1 3.33Å; R3-E9 PolarHBondContact NH1-OE1 3.21Å; R3-E9 IonicContact NH1-OE2 2.81Å; R3-E9 PolarHBondContact NH1-OE2 2.88Å; R3-E9 IonicContact NH2-OE1 2.71Å; R3-E9 PolarHBondContact NH2-OE1 3.27Å; R3-E9 IonicContact NH2-OE2 3.46Å; R3-E9 PolarHBondContact NH2-OE2 3.13Å; L5-E9 WeakPolarHBondContact CA-OE2 3.48Å; L5-E9 HydrophobicContact CB-CB 4.05Å; L5-E9 HydrophobicContact CD2-CB 4.14Å; K6-E9 HydrophobicContact CB-CG 4.17Å; K6-E9 PolarHBondContact N-OE2 3.19Å; K6-E9 WeakPolarHBondContact O-CB 3.38Å; K6-E9 PolarHBondContact O-N 3.48Å; E9-K11 VanDerWaalsContact C-N 3.3Å; E9-K11 PolarHBondContact O-N 3.38Å; E9-L12 PolarHBondContact O-N 2.73Å; E9-L13 VanDerWaalsContact O-CB 3.32Å; E9-L13 WeakPolarHBondContact O-CB 3.24Å; E9-L13 WeakPolarHBondContact O-CG 3.23Å; E9-L13 PolarHBondContact O-N 3.44Å
10	Q	91.6	Very high	87.1	Confident	123 Å²	123	128.6 Å²	128.6	58%	0.575	60%	0.603	S	S	*	*	H	α-helix	trans	-64.9	-34.2	176.4	-169.4	178.3	12.7	0	0	112	L5 K6 Y7 L12 L13 K14	L5-Q10 HydrophobicContact CB-CB 4.37Å; K6-Q10 PolarHBondContact O-N 3.49Å; Y7-Q10 PolarHBondContact O-N 2.92Å; Q10-L12 VanDerWaalsContact C-N 3.31Å; Q10-L12 PolarHBondContact O-N 3.2Å; Q10-L13 CarbonylContact O-C 3.59Å; Q10-K14 WeakPolarHBondContact O-CG 3.38Å; Q10-K14 PolarHBondContact O-N 3.02Å
11	K	93.3	Very high	86.8	Confident	132 Å²	132	129.9 Å²	129.9	57%	0.574	60%	0.602	S	S	*	*	H	α-helix	trans	-67	-32	176.1	-165.9	176.4	-179.3	-178.3	0	112.3	Y7 H8 E9 K14	Y7-K11 PolarHBondContact O-N 2.68Å; H8-K11 PolarHBondContact O-N 3.44Å; E9-K11 VanDerWaalsContact C-N 3.3Å; E9-K11 PolarHBondContact O-N 3.38Å; K11-K14 WeakPolarHBondContact O-CE 3.18Å; K11-K14 WeakPolarHBondContact O-CG 3.44Å
12	L	94	Very high	87.6	Confident	148 Å²	148	128 Å²	128	78%	0.775	59%	0.59	S	S	*	*	H	α-helix	trans	-81.3	-41.6	174.8	-67.3	171	0	0	0	111.9	H8 E9 Q10 K14	H8-L12 WeakPolarHBondContact O-CG 3.47Å; H8-L12 PolarHBondContact O-N 2.9Å; E9-L12 PolarHBondContact O-N 2.73Å; Q10-L12 VanDerWaalsContact C-N 3.31Å; Q10-L12 PolarHBondContact O-N 3.2Å; L12-K14 PolarHBondContact O-N 2.88Å
13	L	91.6	Very high	87.6	Confident	78 Å²	78	129.7 Å²	129.7	41%	0.408	60%	0.6	S	S	.	*			trans	-100.7	45.7	-172.5	-57	177.5	0	0	0	112.4	L5 E9 Q10 K15 V16	L5-L13 HydrophobicContact CD1-CB 4.18Å; L5-L13 HydrophobicContact CD1-CD1 4.09Å; L5-L13 HydrophobicContact CD2-CD1 4.38Å; E9-L13 VanDerWaalsContact O-CB 3.32Å; E9-L13 WeakPolarHBondContact O-CB 3.24Å; E9-L13 WeakPolarHBondContact O-CG 3.23Å; E9-L13 PolarHBondContact O-N 3.44Å; Q10-L13 CarbonylContact O-C 3.59Å; L13-K15 VanDerWaalsContact C-N 3.3Å; L13-K15 PolarHBondContact O-N 3.5Å; L13-V16 HydrophobicContact CB-CB 4.09Å; L13-V16 HydrophobicContact CB-CG2 3.93Å; L13-V16 HydrophobicContact CD2-CG2 4.04Å; L13-V16 PolarHBondContact O-N 3.29Å
14	K	88.3	Confident	86.7	Confident	163 Å²	163	126.5 Å²	126.5	71%	0.709	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.8	-31.3	-174.9	-68	-177.1	-179.2	-177.6	0	114.6	Q10 K11 L12	Q10-K14 WeakPolarHBondContact O-CG 3.38Å; Q10-K14 PolarHBondContact O-N 3.02Å; K11-K14 WeakPolarHBondContact O-CE 3.18Å; K11-K14 WeakPolarHBondContact O-CG 3.44Å; L12-K14 PolarHBondContact O-N 2.88Å
15	K	86.9	Confident	85.9	Confident	211 Å²	211	122.1 Å²	122.1	92%	0.917	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.2	-0.2	-178.2	-63.4	-174.2	176.9	-174.1	0	113.2	L13 D17	L13-K15 VanDerWaalsContact C-N 3.3Å; L13-K15 PolarHBondContact O-N 3.5Å; K15-D17 PolarHBondContact O-N 3.3Å
16	V	86.1	Confident	85.4	Confident	69 Å²	69	121.7 Å²	121.7	42%	0.418	58%	0.579	S	S	.	*			trans	-91	104.3	-175.6	-178	0	0	0	0	108.9	L13 F18	L13-V16 HydrophobicContact CB-CB 4.09Å; L13-V16 HydrophobicContact CB-CG2 3.93Å; L13-V16 HydrophobicContact CD2-CG2 4.04Å; L13-V16 PolarHBondContact O-N 3.29Å; V16-F18 HydrophobicContact CG1-CD2 4.49Å; V16-F18 HydrophobicContact CG1-CE1 4.41Å; V16-F18 HydrophobicContact CG1-CE2 3.94Å; V16-F18 HydrophobicContact CG1-CZ 3.9Å
17	D	83.6	Confident	84.9	Confident	74 Å²	74	120.2 Å²	120.2	40%	0.396	58%	0.576	S	S	.	*			trans	-130.1	121.3	167	-170.3	-24.4	0	0	0	107.8	K15 I19 N20 W21	K15-D17 PolarHBondContact O-N 3.3Å; D17-I19 VanDerWaalsContact C-N 3.32Å; D17-I19 PolarHBondContact OD1-N 3.36Å; D17-N20 PolarHBondContact OD1-N 3.02Å; D17-N20 WeakPolarHBondContact OD2-CB 3.44Å; D17-W21 PolarHBondContact O-NE1 3.48Å
18	F	82.9	Confident	84.5	Confident	149 Å²	149	116 Å²	116	65%	0.654	56%	0.563	S	S	*	*	S	Bend	trans	-83.7	-9.9	180	-65.7	-69.1	0	0	0	113	V2 V16	V2-F18 HydrophobicContact CG2-CD2 3.84Å; V2-F18 HydrophobicContact CG2-CE2 4.21Å; V16-F18 HydrophobicContact CG1-CD2 4.49Å; V16-F18 HydrophobicContact CG1-CE1 4.41Å; V16-F18 HydrophobicContact CG1-CE2 3.94Å; V16-F18 HydrophobicContact CG1-CZ 3.9Å
19	I	81.1	Confident	84.2	Confident	138 Å²	138	111.9 Å²	111.9	71%	0.708	54%	0.544	S	S	*	.	S	Bend	trans	-107.5	-45.7	-174.2	-61.5	170.8	0	0	0	110.4	D17	D17-I19 VanDerWaalsContact C-N 3.32Å; D17-I19 PolarHBondContact OD1-N 3.36Å
20	N	80.2	Confident	84	Confident	75 Å²	75	112.2 Å²	112.2	40%	0.401	55%	0.548	S	S	.	.			trans	-112.3	102.6	-175.8	-172.6	32	0	0	0	110.8	D17 L27	D17-N20 PolarHBondContact OD1-N 3.02Å; D17-N20 WeakPolarHBondContact OD2-CB 3.44Å; N20-L27 HydrophobicContact CB-CD1 3.97Å; N20-L27 WeakPolarHBondContact OD1-CD1 3.43Å
21	W	80.8	Confident	84.1	Confident	156 Å²	156	113.7 Å²	113.7	59%	0.591	55%	0.553	S	S	*	*			trans	-97.9	138.9	174.2	-71.2	18	0	0	0	109.3	D17 V23 D24	D17-W21 PolarHBondContact O-NE1 3.48Å; W21-V23 PolarHBondContact O-N 2.95Å; W21-V23 VanDerWaalsContact O-N 3.16Å; W21-D24 HydrophobicContact CB-CB 4.23Å; W21-D24 CarbonylContact O-C 3.56Å; W21-D24 WeakPolarHBondContact O-CA 3.3Å; W21-D24 PolarHBondContact O-N 3.4Å; W21-D24 VanDerWaalsContact O-O 3.12Å
22	E	74.8	Confident	84.1	Confident	208 Å²	208	107.8 Å²	107.8	97%	0.972	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-30.1	-178.4	-67.8	-177.3	168.1	0	0	113.1	D24	E22-D24 VanDerWaalsContact C-N 3.31Å
23	V	76.6	Confident	84	Confident	137 Å²	137	101.8 Å²	101.8	83%	0.83	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-28.6	176.9	-175.1	0	0	0	0	111.4	W21	W21-V23 PolarHBondContact O-N 2.95Å; W21-V23 VanDerWaalsContact O-N 3.16Å
24	D	71.7	Confident	84.1	Confident	84 Å²	84	107.6 Å²	107.6	45%	0.449	51%	0.513	S	S	.	.			trans	-93.4	105	-177.5	-100.2	-2.9	0	0	0	110.4	W21 E22 N26	W21-D24 HydrophobicContact CB-CB 4.23Å; W21-D24 CarbonylContact O-C 3.56Å; W21-D24 WeakPolarHBondContact O-CA 3.3Å; W21-D24 PolarHBondContact O-N 3.4Å; W21-D24 VanDerWaalsContact O-O 3.12Å; E22-D24 VanDerWaalsContact C-N 3.31Å; D24-N26 HydrophobicContact CB-CB 3.95Å; D24-N26 PolarHBondContact O-N 3.44Å
25	N	73.1	Confident	84.4	Confident	107 Å²	107	106.1 Å²	106.1	57%	0.572	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.7	30.5	164.7	-162.2	13.6	0	0	0	112.4	L27 H28 E29	N25-L27 PolarHBondContact O-N 2.93Å; N25-H28 PolarHBondContact O-N 3.07Å; N25-H28 WeakPolarHBondContact OD1-CB 3.48Å; N25-E29 PolarHBondContact O-N 2.97Å
26	N	79.6	Confident	84.7	Confident	48 Å²	48	97 Å²	97	26%	0.257	47%	0.466	S	S	.	.	H	α-helix	trans	-66.8	-37.9	-169.5	-171.8	11.7	0	0	0	111.4	D24 H28 E29 V30 R41	D24-N26 HydrophobicContact CB-CB 3.95Å; D24-N26 PolarHBondContact O-N 3.44Å; N26-H28 PolarHBondContact O-N 3.34Å; N26-E29 PolarHBondContact O-N 3.33Å; N26-V30 WeakPolarHBondContact O-CB 3.31Å; N26-V30 VanDerWaalsContact O-CG2 3.25Å; N26-V30 WeakPolarHBondContact O-CG2 3.34Å; N26-V30 PolarHBondContact O-N 3.39Å; N26-V30 WeakPolarHBondContact OD1-CG2 3.42Å; N26-R41 VanDerWaalsContact OD1-CZ 3.32Å; N26-R41 PolarHBondContact OD1-NH1 3.32Å; N26-R41 PolarHBondContact OD1-NH2 3.24Å
27	L	83.8	Confident	85.1	Confident	98 Å²	98	97.5 Å²	97.5	51%	0.513	46%	0.464	S	S	.	.	H	α-helix	trans	-62.9	-41.7	178.8	-67.4	179.5	0	0	0	112.5	N20 N25 K31	N20-L27 HydrophobicContact CB-CD1 3.97Å; N20-L27 WeakPolarHBondContact OD1-CD1 3.43Å; N25-L27 PolarHBondContact O-N 2.93Å; L27-K31 WeakPolarHBondContact O-CB 3.22Å; L27-K31 PolarHBondContact O-N 2.92Å
28	H	85.9	Confident	85.6	Confident	91 Å²	91	94.6 Å²	94.6	42%	0.421	45%	0.448	S	S	.	.	H	α-helix	trans	-66.6	-45.5	177.6	-174.6	76	0	0	0	111	N25 N26 K31 V32 Y44	N25-H28 PolarHBondContact O-N 3.07Å; N25-H28 WeakPolarHBondContact OD1-CB 3.48Å; N26-H28 PolarHBondContact O-N 3.34Å; H28-K31 WeakPolarHBondContact O-CB 3.16Å; H28-K31 PolarHBondContact O-N 3.23Å; H28-V32 WeakPolarHBondContact O-CG2 3.31Å; H28-V32 PolarHBondContact O-N 2.85Å; H28-Y44 PolarHBondContact CD2-OH 3.47Å
29	E	88.9	Confident	85.8	Confident	26 Å²	26	93.5 Å²	93.5	12%	0.121	45%	0.445	C	S	.	.	H	α-helix	trans	-58	-52.1	176.4	172.8	165.6	-169.3	0	0	111.7	N25 N26 K31 V32 L33 R41 Y44	N25-E29 PolarHBondContact O-N 2.97Å; N26-E29 PolarHBondContact O-N 3.33Å; E29-K31 PolarHBondContact O-N 2.97Å; E29-V32 PolarHBondContact O-N 3.3Å; E29-L33 HydrophobicContact CG-CD1 3.86Å; E29-L33 HydrophobicContact CG-CG 4.22Å; E29-L33 VanDerWaalsContact O-CG 3.31Å; E29-L33 WeakPolarHBondContact O-CG 3.41Å; E29-L33 PolarHBondContact O-N 3.4Å; E29-R41 WeakPolarHBondContact OE1-CG 3.05Å; E29-R41 IonicContact OE1-CZ 3.61Å; E29-R41 IonicContact OE1-NE 3.51Å; E29-R41 PolarHBondContact OE1-NE 2.92Å; E29-R41 IonicContact OE1-NH2 3.37Å; E29-R41 IonicContact OE2-CZ 2.67Å; E29-R41 IonicContact OE2-NE 3.17Å; E29-R41 PolarHBondContact OE2-NE 3.45Å; E29-R41 IonicContact OE2-NH2 3.38Å; E29-R41 PolarHBondContact OE2-NH2 3.06Å; E29-Y44 HydrophobicContact CB-CD1 4.09Å; E29-Y44 HydrophobicContact CB-CE1 3.63Å; E29-Y44 VanDerWaalsContact CD-CD1 3.44Å; E29-Y44 HydrophobicContact CG-CD1 3.4Å; E29-Y44 VanDerWaalsContact CG-CD1 3.4Å; E29-Y44 HydrophobicContact CG-CE1 3.51Å; E29-Y44 HydrophobicContact CG-CG 4.15Å; E29-Y44 WeakPolarHBondContact OE1-CD1 3.44Å
30	V	90.3	Very high	86.3	Confident	41 Å²	41	93.2 Å²	93.2	25%	0.248	44%	0.439	C	S	.	.	H	α-helix	trans	-59.1	-37.7	177.8	171.8	0	0	0	0	111.4	N26 L33 R34	N26-V30 WeakPolarHBondContact O-CB 3.31Å; N26-V30 VanDerWaalsContact O-CG2 3.25Å; N26-V30 WeakPolarHBondContact O-CG2 3.34Å; N26-V30 PolarHBondContact O-N 3.39Å; N26-V30 WeakPolarHBondContact OD1-CG2 3.42Å; V30-L33 PolarHBondContact O-N 3.05Å; V30-R34 HydrophobicContact CG1-CG 4.36Å; V30-R34 WeakPolarHBondContact O-CB 3.38Å; V30-R34 VanDerWaalsContact O-CG 3.3Å; V30-R34 WeakPolarHBondContact O-CG 3.38Å; V30-R34 PolarHBondContact O-N 2.79Å
31	K	92.1	Very high	86.8	Confident	155 Å²	155	94.8 Å²	94.8	67%	0.674	44%	0.439	S	S	*	.	H	α-helix	trans	-62.1	-43.3	175.1	-171.9	179.4	-175.7	175.1	0	111.7	L27 H28 E29 K35	L27-K31 WeakPolarHBondContact O-CB 3.22Å; L27-K31 PolarHBondContact O-N 2.92Å; H28-K31 WeakPolarHBondContact O-CB 3.16Å; H28-K31 PolarHBondContact O-N 3.23Å; E29-K31 PolarHBondContact O-N 2.97Å; K31-K35 VanDerWaalsContact O-CB 3.25Å; K31-K35 WeakPolarHBondContact O-CB 3.47Å; K31-K35 PolarHBondContact O-N 3.09Å
32	V	92.9	Very high	87.4	Confident	8 Å²	8	93.4 Å²	93.4	5%	0.048	44%	0.439	C	S	.	.	H	α-helix	trans	-69.5	-44.6	177.9	179.2	0	0	0	0	111.1	H28 E29 R34 K35 Y36 Y44	H28-V32 WeakPolarHBondContact O-CG2 3.31Å; H28-V32 PolarHBondContact O-N 2.85Å; E29-V32 PolarHBondContact O-N 3.3Å; V32-R34 VanDerWaalsContact C-N 3.33Å; V32-R34 PolarHBondContact O-N 3.49Å; V32-K35 PolarHBondContact O-N 3.32Å; V32-Y36 HydrophobicContact CG1-CD2 3.71Å; V32-Y36 HydrophobicContact CG1-CE2 3.94Å; V32-Y36 WeakPolarHBondContact O-CD2 3.2Å; V32-Y36 PolarHBondContact O-N 2.88Å; V32-Y44 HydrophobicContact CB-CD2 4.28Å; V32-Y44 HydrophobicContact CB-CE2 3.78Å; V32-Y44 HydrophobicContact CG1-CD2 3.91Å; V32-Y44 HydrophobicContact CG1-CE2 3.64Å; V32-Y44 HydrophobicContact CG2-CE2 4.16Å
33	L	93.2	Very high	88.2	Confident	22 Å²	22	84.5 Å²	84.5	12%	0.115	40%	0.398	C	S	.	.	H	α-helix	trans	-56.7	-47.1	176.8	-68.7	173.5	0	0	0	111.1	E29 V30 H37 I38 R41 Y44	E29-L33 HydrophobicContact CG-CD1 3.86Å; E29-L33 HydrophobicContact CG-CG 4.22Å; E29-L33 VanDerWaalsContact O-CG 3.31Å; E29-L33 WeakPolarHBondContact O-CG 3.41Å; E29-L33 PolarHBondContact O-N 3.4Å; V30-L33 PolarHBondContact O-N 3.05Å; L33-H37 WeakPolarHBondContact O-CA 3.43Å; L33-H37 PolarHBondContact O-N 2.71Å; L33-I38 HydrophobicContact CD2-CB 3.6Å; L33-I38 HydrophobicContact CD2-CD1 4.29Å; L33-I38 HydrophobicContact CD2-CG2 3.6Å; L33-I38 PolarHBondContact O-N 2.92Å; L33-R41 HydrophobicContact CD1-CG 4.16Å; L33-Y44 HydrophobicContact CD2-CG 4.38Å
34	R	93.6	Very high	89	Confident	200 Å²	200	78.5 Å²	78.5	76%	0.755	36%	0.361	S	S	*	.	H	α-helix	trans	-65	-42.4	176.3	-73.2	-179.5	-177.8	-176.9	2.2	112.2	V30 V32 Y36 H37	V30-R34 HydrophobicContact CG1-CG 4.36Å; V30-R34 WeakPolarHBondContact O-CB 3.38Å; V30-R34 VanDerWaalsContact O-CG 3.3Å; V30-R34 WeakPolarHBondContact O-CG 3.38Å; V30-R34 PolarHBondContact O-N 2.79Å; V32-R34 VanDerWaalsContact C-N 3.33Å; V32-R34 PolarHBondContact O-N 3.49Å; R34-Y36 PolarHBondContact O-N 3.14Å; R34-H37 PolarHBondContact O-N 3.49Å
35	K	93.9	Very high	90.1	Very high	131 Å²	131	78.4 Å²	78.4	57%	0.57	36%	0.363	S	S	*	.	H	α-helix	trans	-61.3	-41.1	-178.6	178.9	172.3	178.6	169.9	0	112.6	K31 V32 L123	K31-K35 VanDerWaalsContact O-CB 3.25Å; K31-K35 WeakPolarHBondContact O-CB 3.47Å; K31-K35 PolarHBondContact O-N 3.09Å; V32-K35 PolarHBondContact O-N 3.32Å; K35-L123 WeakPolarHBondContact O-CD1 3.4Å
36	Y	94.8	Very high	91.1	Very high	20 Å²	20	78.8 Å²	78.8	8%	0.078	36%	0.36	C	S	.	.	H	α-helix	trans	-104.1	8.7	-177.8	-61.8	-75.8	0	0	0	113.8	V32 R34 I38 C106 R107	V32-Y36 HydrophobicContact CG1-CD2 3.71Å; V32-Y36 HydrophobicContact CG1-CE2 3.94Å; V32-Y36 WeakPolarHBondContact O-CD2 3.2Å; V32-Y36 PolarHBondContact O-N 2.88Å; R34-Y36 PolarHBondContact O-N 3.14Å; Y36-I38 VanDerWaalsContact C-N 3.33Å; Y36-I38 PolarHBondContact O-N 3.5Å; Y36-C106 HydrophobicContact CD1-CB 4Å; Y36-C106 HydrophobicContact CD2-CB 3.46Å; Y36-C106 VanDerWaalsContact CD2-CB 3.46Å; Y36-C106 HydrophobicContact CE1-CB 4.3Å; Y36-C106 HydrophobicContact CE2-CB 3.78Å; Y36-C106 HydrophobicContact CG-CB 3.58Å; Y36-R107 HydrophobicContact CE1-CG 3.66Å; Y36-R107 WeakPolarHBondContact OH-CG 3.47Å; Y36-R107 PolarHBondContact OH-NE 3.1Å; Y36-R107 VanDerWaalsContact OH-NE 3.1Å
37	H	94.4	Very high	91.9	Very high	80 Å²	80	77.8 Å²	77.8	37%	0.37	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.5	48.6	-178.4	-152.4	82.9	0	0	0	113.5	L33 R34 L123 I127	L33-H37 WeakPolarHBondContact O-CA 3.43Å; L33-H37 PolarHBondContact O-N 2.71Å; R34-H37 PolarHBondContact O-N 3.49Å; H37-L123 HydrophobicContact CB-CB 4.33Å; H37-I127 HydrophobicContact CB-CD1 3.72Å; H37-I127 VanDerWaalsContact CD2-CD1 3.43Å; H37-I127 WeakPolarHBondContact CD2-CD1 3.29Å; H37-I127 WeakPolarHBondContact O-CD1 3.41Å
38	I	93.3	Very high	92.4	Very high	13 Å²	13	76.4 Å²	76.4	7%	0.067	35%	0.346	C	S	.	.			trans	-85.1	118.8	179.5	-60.2	171.9	0	0	0	108.9	L33 Y36 K40 D43 C106	L33-I38 HydrophobicContact CD2-CB 3.6Å; L33-I38 HydrophobicContact CD2-CD1 4.29Å; L33-I38 HydrophobicContact CD2-CG2 3.6Å; L33-I38 PolarHBondContact O-N 2.92Å; Y36-I38 VanDerWaalsContact C-N 3.33Å; Y36-I38 PolarHBondContact O-N 3.5Å; I38-K40 VanDerWaalsContact CG2-O 3.3Å; I38-K40 WeakPolarHBondContact CG2-O 3.35Å; I38-D43 HydrophobicContact CG2-CB 4.17Å; I38-C106 HydrophobicContact CD1-CB 4.27Å; I38-C106 WeakPolarHBondContact CD1-SG 3.35Å
39	E	88	Confident	92.8	Very high	126 Å²	126	79 Å²	79	59%	0.589	36%	0.356	S	S	*	.			trans	-75	-48.3	-179.6	-62.5	176.7	176.2	0	0	112	Q131	E39-Q131 PolarHBondContact OE1-NE2 3.27Å
40	K	91.6	Very high	93.2	Very high	131 Å²	131	81.7 Å²	81.7	57%	0.57	37%	0.371	S	S	*	.			trans	-88.7	113.9	-176.5	-64	-179.8	-174.7	173.7	0	110.7	I38 E42 D43	I38-K40 VanDerWaalsContact CG2-O 3.3Å; I38-K40 WeakPolarHBondContact CG2-O 3.35Å; K40-E42 PolarHBondContact O-N 2.99Å; K40-D43 WeakPolarHBondContact O-CB 3.47Å; K40-D43 PolarHBondContact O-N 3.5Å; K40-D43 VanDerWaalsContact O-N 3.17Å
41	R	90.4	Very high	93.4	Very high	108 Å²	108	79.8 Å²	79.8	41%	0.408	36%	0.359	S	S	.	.	H	α-helix	trans	-58.8	-35.1	175.8	-171	165.9	-175.7	143.5	-1	112.5	N26 E29 L33 D43 Y44 T45	N26-R41 VanDerWaalsContact OD1-CZ 3.32Å; N26-R41 PolarHBondContact OD1-NH1 3.32Å; N26-R41 PolarHBondContact OD1-NH2 3.24Å; E29-R41 WeakPolarHBondContact OE1-CG 3.05Å; E29-R41 IonicContact OE1-CZ 3.61Å; E29-R41 IonicContact OE1-NE 3.51Å; E29-R41 PolarHBondContact OE1-NE 2.92Å; E29-R41 IonicContact OE1-NH2 3.37Å; E29-R41 IonicContact OE2-CZ 2.67Å; E29-R41 IonicContact OE2-NE 3.17Å; E29-R41 PolarHBondContact OE2-NE 3.45Å; E29-R41 IonicContact OE2-NH2 3.38Å; E29-R41 PolarHBondContact OE2-NH2 3.06Å; L33-R41 HydrophobicContact CD1-CG 4.16Å; R41-D43 PolarHBondContact O-N 2.87Å; R41-Y44 WeakPolarHBondContact O-CB 3.42Å; R41-Y44 PolarHBondContact O-N 3.3Å; R41-Y44 VanDerWaalsContact O-N 3.08Å; R41-T45 PolarHBondContact O-N 2.74Å; R41-T45 PolarHBondContact O-OG1 2.95Å
42	E	92.4	Very high	93.6	Very high	127 Å²	127	79.5 Å²	79.5	59%	0.593	35%	0.354	S	S	*	.	H	α-helix	trans	-56.3	-35.4	177.3	-63	-179.6	-169.6	0	0	113.5	K40 Y44 T45 K46	K40-E42 PolarHBondContact O-N 2.99Å; E42-Y44 VanDerWaalsContact C-N 3.29Å; E42-Y44 PolarHBondContact O-N 2.66Å; E42-T45 PolarHBondContact O-N 3.28Å; E42-K46 WeakPolarHBondContact O-CB 3.44Å; E42-K46 VanDerWaalsContact O-CG 3.28Å; E42-K46 WeakPolarHBondContact O-CG 3.4Å; E42-K46 PolarHBondContact O-N 2.99Å; E42-K46 IonicContact OE2-NZ 2.66Å
43	D	92.7	Very high	93.8	Very high	21 Å²	21	82.7 Å²	82.7	11%	0.112	37%	0.371	C	S	.	.	H	α-helix	trans	-59.4	-44.9	178.1	-70.5	-2.4	0	0	0	110.3	I38 K40 R41 K46 Y47 R109	I38-D43 HydrophobicContact CG2-CB 4.17Å; K40-D43 WeakPolarHBondContact O-CB 3.47Å; K40-D43 PolarHBondContact O-N 3.5Å; K40-D43 VanDerWaalsContact O-N 3.17Å; R41-D43 PolarHBondContact O-N 2.87Å; D43-K46 PolarHBondContact O-N 2.91Å; D43-Y47 HydrophobicContact CB-CD2 4.43Å; D43-Y47 HydrophobicContact CB-CE2 3.94Å; D43-Y47 WeakPolarHBondContact O-CD2 3.46Å; D43-Y47 VanDerWaalsContact O-CG 3.26Å; D43-Y47 PolarHBondContact O-N 2.91Å; D43-R109 IonicContact OD2-CZ 2.74Å; D43-R109 IonicContact OD2-NH1 3.68Å; D43-R109 PolarHBondContact OD2-NH1 3.04Å; D43-R109 IonicContact OD2-NH2 3.44Å; D43-R109 PolarHBondContact OD2-NH2 3.18Å
44	Y	93.3	Very high	93.9	Very high	12 Å²	12	82.7 Å²	82.7	5%	0.047	37%	0.37	C	S	.	.	H	α-helix	trans	-64.2	-43.5	178.9	177.9	-93.9	0	0	0	111.4	H28 E29 V32 L33 R41 E42 K46 Y47 N48 A102	H28-Y44 PolarHBondContact CD2-OH 3.47Å; E29-Y44 HydrophobicContact CB-CD1 4.09Å; E29-Y44 HydrophobicContact CB-CE1 3.63Å; E29-Y44 VanDerWaalsContact CD-CD1 3.44Å; E29-Y44 HydrophobicContact CG-CD1 3.4Å; E29-Y44 VanDerWaalsContact CG-CD1 3.4Å; E29-Y44 HydrophobicContact CG-CE1 3.51Å; E29-Y44 HydrophobicContact CG-CG 4.15Å; E29-Y44 WeakPolarHBondContact OE1-CD1 3.44Å; V32-Y44 HydrophobicContact CB-CD2 4.28Å; V32-Y44 HydrophobicContact CB-CE2 3.78Å; V32-Y44 HydrophobicContact CG1-CD2 3.91Å; V32-Y44 HydrophobicContact CG1-CE2 3.64Å; V32-Y44 HydrophobicContact CG2-CE2 4.16Å; L33-Y44 HydrophobicContact CD2-CG 4.38Å; R41-Y44 WeakPolarHBondContact O-CB 3.42Å; R41-Y44 PolarHBondContact O-N 3.3Å; R41-Y44 VanDerWaalsContact O-N 3.08Å; E42-Y44 VanDerWaalsContact C-N 3.29Å; E42-Y44 PolarHBondContact O-N 2.66Å; Y44-K46 VanDerWaalsContact C-N 3.32Å; Y44-K46 PolarHBondContact O-N 3.48Å; Y44-Y47 PolarHBondContact O-N 3.36Å; Y44-N48 WeakPolarHBondContact O-CB 3.32Å; Y44-N48 PolarHBondContact O-N 3.31Å; Y44-A102 HydrophobicContact CD2-CB 3.97Å; Y44-A102 HydrophobicContact CE2-CB 3.54Å
45	T	93.1	Very high	94	Very high	81 Å²	81	77.5 Å²	77.5	50%	0.497	35%	0.351	S	S	.	.	H	α-helix	trans	-60.1	-42.8	175.8	-46.5	0	0	0	0	111.4	R41 E42 N48 K49	R41-T45 PolarHBondContact O-N 2.74Å; R41-T45 PolarHBondContact O-OG1 2.95Å; E42-T45 PolarHBondContact O-N 3.28Å; T45-N48 PolarHBondContact O-N 3.2Å; T45-K49 PolarHBondContact O-N 3Å
46	K	94.9	Very high	94	Very high	116 Å²	116	74.3 Å²	74.3	50%	0.504	34%	0.338	S	S	.	.	H	α-helix	trans	-61.8	-46.9	175.5	-71.2	168.9	-170.5	167.2	0	111.3	E42 D43 Y44 N48 K49 L50	E42-K46 WeakPolarHBondContact O-CB 3.44Å; E42-K46 VanDerWaalsContact O-CG 3.28Å; E42-K46 WeakPolarHBondContact O-CG 3.4Å; E42-K46 PolarHBondContact O-N 2.99Å; E42-K46 IonicContact OE2-NZ 2.66Å; D43-K46 PolarHBondContact O-N 2.91Å; Y44-K46 VanDerWaalsContact C-N 3.32Å; Y44-K46 PolarHBondContact O-N 3.48Å; K46-N48 VanDerWaalsContact C-N 3.33Å; K46-N48 PolarHBondContact O-N 3Å; K46-K49 PolarHBondContact O-N 2.9Å; K46-L50 WeakPolarHBondContact O-CG 3.15Å; K46-L50 PolarHBondContact O-N 3.36Å
47	Y	95.6	Very high	94	Very high	26 Å²	26	77.2 Å²	77.2	10%	0.102	36%	0.355	C	S	.	.	H	α-helix	trans	-63.4	-38	176.6	-64.6	-43.1	0	0	0	112.8	D43 Y44 L50 S51 F105	D43-Y47 HydrophobicContact CB-CD2 4.43Å; D43-Y47 HydrophobicContact CB-CE2 3.94Å; D43-Y47 WeakPolarHBondContact O-CD2 3.46Å; D43-Y47 VanDerWaalsContact O-CG 3.26Å; D43-Y47 PolarHBondContact O-N 2.91Å; Y44-Y47 PolarHBondContact O-N 3.36Å; Y47-L50 PolarHBondContact O-N 3.39Å; Y47-S51 WeakPolarHBondContact O-CB 3.47Å; Y47-S51 PolarHBondContact O-N 3.18Å; Y47-S51 PolarHBondContact O-OG 3.25Å; Y47-F105 HydrophobicContact CD1-CB 3.6Å; Y47-F105 AromaticContact CD1-CD1 3.92Å; Y47-F105 HydrophobicContact CD1-CD1 3.92Å; Y47-F105 AromaticContact CD1-CG 3.78Å; Y47-F105 HydrophobicContact CD1-CG 3.78Å; Y47-F105 HydrophobicContact CD2-CB 4.31Å; Y47-F105 HydrophobicContact CE1-CB 4.07Å; Y47-F105 HydrophobicContact CE1-CD1 4.32Å; Y47-F105 HydrophobicContact CE1-CG 4.45Å; Y47-F105 HydrophobicContact CG-CB 3.76Å; Y47-F105 HydrophobicContact CG-CG 4.21Å
48	N	94.3	Very high	94	Very high	69 Å²	69	73.5 Å²	73.5	37%	0.369	34%	0.337	S	S	.	.	H	α-helix	trans	-63.9	-45.6	176.6	-165.9	25.8	0	0	0	110.8	Y44 T45 K46 L50 S51 R52 A102	Y44-N48 WeakPolarHBondContact O-CB 3.32Å; Y44-N48 PolarHBondContact O-N 3.31Å; T45-N48 PolarHBondContact O-N 3.2Å; K46-N48 VanDerWaalsContact C-N 3.33Å; K46-N48 PolarHBondContact O-N 3Å; N48-L50 PolarHBondContact O-N 3.39Å; N48-S51 PolarHBondContact O-N 3.02Å; N48-S51 PolarHBondContact O-OG 3.39Å; N48-R52 PolarHBondContact O-N 3.39Å; N48-A102 HydrophobicContact CB-CB 4.27Å
49	K	95.9	Very high	94	Very high	145 Å²	145	77.5 Å²	77.5	63%	0.63	36%	0.356	S	S	*	.	H	α-helix	trans	-59.4	-46.3	174.3	-172.2	177.2	-178.6	178.7	0	111.8	T45 K46 S51 R52 N53	T45-K49 PolarHBondContact O-N 3Å; K46-K49 PolarHBondContact O-N 2.9Å; K49-S51 PolarHBondContact O-N 3.21Å; K49-R52 WeakPolarHBondContact O-CB 3.38Å; K49-R52 PolarHBondContact O-N 2.91Å; K49-N53 VanDerWaalsContact O-CG 3.31Å; K49-N53 PolarHBondContact O-N 3.23Å; K49-N53 PolarHBondContact O-OD1 3.19Å
50	L	96	Very high	94.3	Very high	84 Å²	84	78.2 Å²	78.2	44%	0.44	36%	0.357	S	S	.	.	H	α-helix	trans	-61.5	-43.8	176.7	-72.2	173.9	0	0	0	112.2	K46 Y47 N48 R52 N53 I54 F105	K46-L50 WeakPolarHBondContact O-CG 3.15Å; K46-L50 PolarHBondContact O-N 3.36Å; Y47-L50 PolarHBondContact O-N 3.39Å; N48-L50 PolarHBondContact O-N 3.39Å; L50-R52 VanDerWaalsContact C-N 3.25Å; L50-R52 PolarHBondContact O-N 3.49Å; L50-N53 PolarHBondContact O-N 2.98Å; L50-I54 WeakPolarHBondContact O-CG1 3.08Å; L50-I54 PolarHBondContact O-N 3.2Å; L50-F105 HydrophobicContact CB-CE2 4.44Å; L50-F105 HydrophobicContact CB-CZ 4.07Å
51	S	95.8	Very high	94.3	Very high	1 Å²	1	72.5 Å²	72.5	1%	0.007	33%	0.332	C	S	.	.	H	α-helix	trans	-62.7	-33.4	176.8	76.8	0	0	0	0	112.5	Y47 N48 K49 R55	Y47-S51 WeakPolarHBondContact O-CB 3.47Å; Y47-S51 PolarHBondContact O-N 3.18Å; Y47-S51 PolarHBondContact O-OG 3.25Å; N48-S51 PolarHBondContact O-N 3.02Å; N48-S51 PolarHBondContact O-OG 3.39Å; K49-S51 PolarHBondContact O-N 3.21Å; S51-R55 WeakPolarHBondContact O-CG 3.46Å; S51-R55 PolarHBondContact O-N 3.48Å; S51-R55 PolarHBondContact O-NE 3.21Å
52	R	95.6	Very high	94.4	Very high	149 Å²	149	71.6 Å²	71.6	56%	0.562	33%	0.329	S	S	*	.	H	α-helix	trans	-68	-47.8	173.7	-177.9	178.3	172.1	173.5	0.6	111.1	N48 K49 L50 I54 R55 E56	N48-R52 PolarHBondContact O-N 3.39Å; K49-R52 WeakPolarHBondContact O-CB 3.38Å; K49-R52 PolarHBondContact O-N 2.91Å; L50-R52 VanDerWaalsContact C-N 3.25Å; L50-R52 PolarHBondContact O-N 3.49Å; R52-I54 PolarHBondContact O-N 2.99Å; R52-R55 PolarHBondContact O-N 3.3Å; R52-E56 HydrophobicContact CG-CG 4.33Å; R52-E56 WeakPolarHBondContact CG-OE1 3.37Å; R52-E56 IonicContact CZ-OE1 2.72Å; R52-E56 IonicContact NE-OE1 3.38Å; R52-E56 PolarHBondContact NE-OE1 3.27Å; R52-E56 IonicContact NH2-OE1 2.86Å; R52-E56 PolarHBondContact NH2-OE1 3.4Å; R52-E56 WeakPolarHBondContact O-CG 3.46Å; R52-E56 PolarHBondContact O-N 2.86Å
53	N	96.5	Very high	94.4	Very high	75 Å²	75	71.6 Å²	71.6	40%	0.401	33%	0.333	S	S	.	.	H	α-helix	trans	-58.1	-38.6	177.2	-65.4	-3.8	0	0	0	112	K49 L50 E56 L57	K49-N53 VanDerWaalsContact O-CG 3.31Å; K49-N53 PolarHBondContact O-N 3.23Å; K49-N53 PolarHBondContact O-OD1 3.19Å; L50-N53 PolarHBondContact O-N 2.98Å; N53-E56 PolarHBondContact O-N 3.35Å; N53-L57 VanDerWaalsContact O-CB 3.32Å; N53-L57 WeakPolarHBondContact O-CB 3.35Å; N53-L57 PolarHBondContact O-N 3.39Å
54	I	95.9	Very high	94.3	Very high	21 Å²	21	73.3 Å²	73.3	11%	0.108	34%	0.342	C	S	.	.	H	α-helix	trans	-60.5	-45.8	174.3	-73.2	170.1	0	0	0	110.9	L50 R52 L57 A58 F78 L82 L87 V100 F105	L50-I54 WeakPolarHBondContact O-CG1 3.08Å; L50-I54 PolarHBondContact O-N 3.2Å; R52-I54 PolarHBondContact O-N 2.99Å; I54-L57 PolarHBondContact O-N 3.23Å; I54-A58 WeakPolarHBondContact O-CB 3.03Å; I54-A58 PolarHBondContact O-N 3.35Å; I54-F78 HydrophobicContact CB-CZ 4.36Å; I54-F78 HydrophobicContact CG2-CZ 3.76Å; I54-F78 WeakPolarHBondContact O-CZ 3.47Å; I54-L82 HydrophobicContact CD1-CD2 3.79Å; I54-L82 HydrophobicContact CG1-CD2 4.24Å; I54-L82 HydrophobicContact CG2-CD1 4.02Å; I54-L82 HydrophobicContact CG2-CD2 4.2Å; I54-L87 HydrophobicContact CD1-CD1 3.93Å; I54-V100 HydrophobicContact CD1-CG1 4.25Å; I54-V100 HydrophobicContact CG2-CB 4.33Å; I54-V100 HydrophobicContact CG2-CG1 4.39Å; I54-V100 HydrophobicContact CG2-CG2 4.49Å; I54-F105 HydrophobicContact CD1-CE2 4.13Å; I54-F105 HydrophobicContact CD1-CZ 3.62Å
55	R	94.9	Very high	94.2	Very high	92 Å²	92	79 Å²	79	35%	0.347	37%	0.373	S	S	.	.	H	α-helix	trans	-67.4	-42.9	179.3	-70	-178	-69.3	137.7	-5.8	112.2	S51 R52 L57 A58 Q59 E98	S51-R55 WeakPolarHBondContact O-CG 3.46Å; S51-R55 PolarHBondContact O-N 3.48Å; S51-R55 PolarHBondContact O-NE 3.21Å; R52-R55 PolarHBondContact O-N 3.3Å; R55-L57 PolarHBondContact O-N 3.39Å; R55-A58 WeakPolarHBondContact O-CB 3.37Å; R55-A58 PolarHBondContact O-N 3.46Å; R55-Q59 WeakPolarHBondContact O-CG 3.49Å; R55-Q59 PolarHBondContact O-N 3.18Å; R55-E98 WeakPolarHBondContact CD-O 3.27Å
56	E	95.6	Very high	93.8	Very high	63 Å²	63	82.8 Å²	82.8	29%	0.294	39%	0.385	S	S	.	.	H	α-helix	trans	-63	-41.7	176.5	-71.7	177.4	-178.1	0	0	111.5	R52 N53 A58 Q59 K60	R52-E56 HydrophobicContact CG-CG 4.33Å; R52-E56 WeakPolarHBondContact CG-OE1 3.37Å; R52-E56 IonicContact CZ-OE1 2.72Å; R52-E56 IonicContact NE-OE1 3.38Å; R52-E56 PolarHBondContact NE-OE1 3.27Å; R52-E56 IonicContact NH2-OE1 2.86Å; R52-E56 PolarHBondContact NH2-OE1 3.4Å; R52-E56 WeakPolarHBondContact O-CG 3.46Å; R52-E56 PolarHBondContact O-N 2.86Å; N53-E56 PolarHBondContact O-N 3.35Å; E56-A58 VanDerWaalsContact C-N 3.34Å; E56-Q59 PolarHBondContact O-N 3.09Å; E56-K60 WeakPolarHBondContact O-CG 3.36Å; E56-K60 PolarHBondContact O-N 2.92Å
57	L	94.7	Very high	93.4	Very high	82 Å²	82	87.2 Å²	87.2	43%	0.429	41%	0.405	S	S	.	.	H	α-helix	trans	-64.3	-41	175.1	-176.8	60.2	0	0	0	111.4	N53 I54 R55 Q59 K60 I61 F78	N53-L57 VanDerWaalsContact O-CB 3.32Å; N53-L57 WeakPolarHBondContact O-CB 3.35Å; N53-L57 PolarHBondContact O-N 3.39Å; I54-L57 PolarHBondContact O-N 3.23Å; R55-L57 PolarHBondContact O-N 3.39Å; L57-Q59 VanDerWaalsContact C-N 3.32Å; L57-Q59 PolarHBondContact O-N 3.27Å; L57-K60 PolarHBondContact O-N 2.99Å; L57-I61 HydrophobicContact CD1-CD1 4.45Å; L57-I61 HydrophobicContact CG-CD1 4.13Å; L57-I61 VanDerWaalsContact O-CG1 3.31Å; L57-I61 WeakPolarHBondContact O-CG1 3.38Å; L57-I61 PolarHBondContact O-N 3.42Å; L57-F78 HydrophobicContact CB-CZ 4.39Å; L57-F78 HydrophobicContact CD2-CD2 3.9Å; L57-F78 HydrophobicContact CD2-CE2 3.65Å; L57-F78 HydrophobicContact CD2-CZ 4.21Å; L57-F78 HydrophobicContact CG-CE2 4.34Å; L57-F78 HydrophobicContact CG-CZ 4.44Å
58	A	94	Very high	93.1	Very high	1 Å²	1	89.5 Å²	89.5	1%	0.008	42%	0.419	C	S	.	.	H	α-helix	trans	-62.2	-38.9	176	0	0	0	0	0	112.6	I54 R55 E56 I61 R62 F78 L94 T97	I54-A58 WeakPolarHBondContact O-CB 3.03Å; I54-A58 PolarHBondContact O-N 3.35Å; R55-A58 WeakPolarHBondContact O-CB 3.37Å; R55-A58 PolarHBondContact O-N 3.46Å; E56-A58 VanDerWaalsContact C-N 3.34Å; A58-I61 PolarHBondContact O-N 2.94Å; A58-R62 PolarHBondContact O-N 3.31Å; A58-F78 HydrophobicContact CB-CE1 3.94Å; A58-L94 HydrophobicContact CB-CD1 4.2Å; A58-T97 WeakPolarHBondContact CB-OG1 3.47Å
59	Q	93.9	Very high	93	Very high	97 Å²	97	88.9 Å²	88.9	45%	0.453	43%	0.429	S	S	.	.	H	α-helix	trans	-63.8	-49.7	174.5	-74.4	174.7	-23.2	0	0	110.8	R55 E56 L57 I61 R62 D63	R55-Q59 WeakPolarHBondContact O-CG 3.49Å; R55-Q59 PolarHBondContact O-N 3.18Å; E56-Q59 PolarHBondContact O-N 3.09Å; L57-Q59 VanDerWaalsContact C-N 3.32Å; L57-Q59 PolarHBondContact O-N 3.27Å; Q59-I61 VanDerWaalsContact C-N 3.27Å; Q59-I61 PolarHBondContact O-N 3.17Å; Q59-R62 WeakPolarHBondContact O-CA 3.43Å; Q59-R62 VanDerWaalsContact O-CB 3.31Å; Q59-R62 WeakPolarHBondContact O-CB 3.27Å; Q59-R62 PolarHBondContact O-N 3.49Å; Q59-D63 PolarHBondContact O-N 2.84Å
60	K	93.5	Very high	92.9	Very high	142 Å²	142	87.4 Å²	87.4	62%	0.617	42%	0.422	S	S	*	.	H	α-helix	trans	-56.3	-40.2	176.4	-70.8	176.6	-177.7	-177.2	0	112.8	E56 L57 R62 D63 L64	E56-K60 WeakPolarHBondContact O-CG 3.36Å; E56-K60 PolarHBondContact O-N 2.92Å; L57-K60 PolarHBondContact O-N 2.99Å; K60-R62 VanDerWaalsContact C-N 3.31Å; K60-D63 PolarHBondContact O-N 3.31Å; K60-L64 PolarHBondContact O-N 3.28Å
61	I	92.4	Very high	92.7	Very high	10 Å²	10	85.9 Å²	85.9	5%	0.051	41%	0.411	C	S	.	.	H	α-helix	trans	-65.9	-36.5	176	-68.7	167.8	0	0	0	111.2	L57 A58 Q59 R71 T75 F78 L94	L57-I61 HydrophobicContact CD1-CD1 4.45Å; L57-I61 HydrophobicContact CG-CD1 4.13Å; L57-I61 VanDerWaalsContact O-CG1 3.31Å; L57-I61 WeakPolarHBondContact O-CG1 3.38Å; L57-I61 PolarHBondContact O-N 3.42Å; A58-I61 PolarHBondContact O-N 2.94Å; Q59-I61 VanDerWaalsContact C-N 3.27Å; Q59-I61 PolarHBondContact O-N 3.17Å; I61-R71 HydrophobicContact CG2-CG 4.33Å; I61-T75 VanDerWaalsContact CG2-OG1 3.22Å; I61-T75 WeakPolarHBondContact CG2-OG1 3.39Å; I61-F78 HydrophobicContact CD1-CB 4.22Å; I61-F78 HydrophobicContact CD1-CD1 4.11Å; I61-F78 HydrophobicContact CD1-CG 4.23Å; I61-L94 HydrophobicContact CG2-CD2 4.21Å
62	R	90.8	Very high	92.5	Very high	89 Å²	89	89.1 Å²	89.1	34%	0.336	44%	0.437	S	S	.	.	H	α-helix	trans	-69.7	-36.3	178.2	-171.2	-177.7	-58.6	151	3.9	112.4	A58 Q59 K60 L64 R71 L94 E98	A58-R62 PolarHBondContact O-N 3.31Å; Q59-R62 WeakPolarHBondContact O-CA 3.43Å; Q59-R62 VanDerWaalsContact O-CB 3.31Å; Q59-R62 WeakPolarHBondContact O-CB 3.27Å; Q59-R62 PolarHBondContact O-N 3.49Å; K60-R62 VanDerWaalsContact C-N 3.31Å; R62-L64 PolarHBondContact O-N 3.43Å; R62-R71 PolarHBondContact O-NH1 2.98Å; R62-L94 HydrophobicContact CB-CD2 4.47Å; R62-E98 IonicContact CZ-OE1 3.79Å; R62-E98 IonicContact NH1-OE1 2.71Å; R62-E98 PolarHBondContact NH1-OE1 3.34Å; R62-E98 IonicContact NH2-OE1 3.13Å; R62-E98 PolarHBondContact NH2-OE1 2.84Å
63	D	92.3	Very high	92.4	Very high	127 Å²	127	86.6 Å²	86.6	68%	0.679	43%	0.432	S	S	*	.	H	α-helix	trans	-71.8	-14.6	-179	-60.9	-21.3	0	0	0	112.7	Q59 K60	Q59-D63 PolarHBondContact O-N 2.84Å; K60-D63 PolarHBondContact O-N 3.31Å
64	L	92.1	Very high	92.3	Very high	57 Å²	57	84 Å²	84	30%	0.298	42%	0.419	S	S	.	.	S	Bend	trans	-68.2	151.8	172.5	-66.7	171.5	0	0	0	111.6	K60 R62 F70 R71	K60-L64 PolarHBondContact O-N 3.28Å; R62-L64 PolarHBondContact O-N 3.43Å; L64-F70 HydrophobicContact CD1-CD1 3.82Å; L64-F70 HydrophobicContact CD1-CE1 4.01Å; L64-R71 HydrophobicContact CB-CB 4.2Å; L64-R71 HydrophobicContact CB-CG 4.38Å; L64-R71 HydrophobicContact CD1-CB 4.39Å; L64-R71 WeakPolarHBondContact O-CD 3.27Å; L64-R71 PolarHBondContact O-NH1 3.28Å
65	N	90.2	Very high	92.2	Very high	131 Å²	131	84.4 Å²	84.4	70%	0.701	42%	0.423	S	S	*	.			trans	-62.1	139.6	176.7	-78.2	-33.8	0	0	0	112.3	K67 D68	N65-K67 PolarHBondContact O-N 3.47Å; N65-D68 WeakPolarHBondContact O-CB 3.29Å; N65-D68 PolarHBondContact O-N 2.75Å
66	E	84.3	Confident	92.1	Very high	161 Å²	161	85.7 Å²	85.7	75%	0.752	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-27.3	-178.4	-70.1	-177.3	169.8	0	0	113.8	D68 R71	E66-D68 VanDerWaalsContact C-N 3.28Å; E66-D68 PolarHBondContact O-N 3.27Å; E66-R71 IonicContact OE1-NH2 3.26Å
67	K	87.6	Confident	92.1	Very high	209 Å²	209	89.8 Å²	89.8	91%	0.909	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	-9.3	-179.3	-61.4	-174.5	179.9	-178.2	0	113.5	N65	N65-K67 PolarHBondContact O-N 3.47Å
68	D	89.8	Confident	92.1	Very high	75 Å²	75	87 Å²	87	40%	0.401	43%	0.43	S	S	.	.			trans	-79.8	121.6	179.9	-173	-0.3	0	0	0	110.6	N65 E66 F70 R71	N65-D68 WeakPolarHBondContact O-CB 3.29Å; N65-D68 PolarHBondContact O-N 2.75Å; E66-D68 VanDerWaalsContact C-N 3.28Å; E66-D68 PolarHBondContact O-N 3.27Å; D68-F70 PolarHBondContact O-N 2.89Å; D68-F70 WeakPolarHBondContact OD1-CB 3.28Å; D68-F70 PolarHBondContact OD1-N 3.29Å; D68-R71 WeakPolarHBondContact O-CB 3.23Å; D68-R71 PolarHBondContact O-N 3.42Å; D68-R71 VanDerWaalsContact O-N 3.09Å
69	G	91.2	Very high	92.1	Very high	56 Å²	56	87.3 Å²	87.3	58%	0.577	43%	0.432	S	S	*	.	H	α-helix	trans	-59.6	-26.4	175.9	0	0	0	0	0	112.9	R71 A72 Q73	G69-R71 VanDerWaalsContact C-N 3.32Å; G69-R71 PolarHBondContact O-N 2.9Å; G69-A72 PolarHBondContact O-N 3.27Å; G69-Q73 PolarHBondContact O-N 3.15Å; G69-Q73 VanDerWaalsContact O-N 3.13Å
70	F	92.8	Very high	92.2	Very high	113 Å²	113	87.9 Å²	87.9	50%	0.496	43%	0.434	S	S	.	.	H	α-helix	trans	-63.8	-35.9	175.8	-179.4	-103.9	0	0	0	112.6	L64 D68 Q73 S74	L64-F70 HydrophobicContact CD1-CD1 3.82Å; L64-F70 HydrophobicContact CD1-CE1 4.01Å; D68-F70 PolarHBondContact O-N 2.89Å; D68-F70 WeakPolarHBondContact OD1-CB 3.28Å; D68-F70 PolarHBondContact OD1-N 3.29Å; F70-Q73 PolarHBondContact O-N 3.4Å; F70-S74 WeakPolarHBondContact CE1-OG 3.39Å; F70-S74 WeakPolarHBondContact CE2-OG 3.28Å; F70-S74 VanDerWaalsContact CZ-OG 3.23Å; F70-S74 WeakPolarHBondContact CZ-OG 3.49Å; F70-S74 WeakPolarHBondContact O-CB 3.49Å; F70-S74 PolarHBondContact O-N 2.74Å; F70-S74 PolarHBondContact O-OG 2.95Å
71	R	93.3	Very high	92.3	Very high	53 Å²	53	87.8 Å²	87.8	20%	0.2	43%	0.434	C	S	.	.	H	α-helix	trans	-63.5	-45.3	177.8	177.3	173.8	164.6	177.3	-11.5	111	I61 R62 L64 E66 D68 G69 T75	I61-R71 HydrophobicContact CG2-CG 4.33Å; R62-R71 PolarHBondContact O-NH1 2.98Å; L64-R71 HydrophobicContact CB-CB 4.2Å; L64-R71 HydrophobicContact CB-CG 4.38Å; L64-R71 HydrophobicContact CD1-CB 4.39Å; L64-R71 WeakPolarHBondContact O-CD 3.27Å; L64-R71 PolarHBondContact O-NH1 3.28Å; E66-R71 IonicContact OE1-NH2 3.26Å; D68-R71 WeakPolarHBondContact O-CB 3.23Å; D68-R71 PolarHBondContact O-N 3.42Å; D68-R71 VanDerWaalsContact O-N 3.09Å; G69-R71 VanDerWaalsContact C-N 3.32Å; G69-R71 PolarHBondContact O-N 2.9Å; R71-T75 VanDerWaalsContact O-CB 3.24Å; R71-T75 WeakPolarHBondContact O-CB 3.43Å; R71-T75 PolarHBondContact O-N 3.43Å; R71-T75 PolarHBondContact O-OG1 3.29Å
72	A	91.8	Very high	92.4	Very high	68 Å²	68	87.7 Å²	87.7	56%	0.562	43%	0.433	S	S	*	.	H	α-helix	trans	-63.5	-48.1	178.9	0	0	0	0	0	111.4	G69 T75 H76	G69-A72 PolarHBondContact O-N 3.27Å; A72-T75 PolarHBondContact O-N 3.26Å; A72-H76 WeakPolarHBondContact O-CB 3.5Å; A72-H76 PolarHBondContact O-N 2.86Å
73	Q	93.8	Very high	92.6	Very high	97 Å²	97	87.4 Å²	87.4	45%	0.453	43%	0.433	S	S	.	.	H	α-helix	trans	-63.4	-45.2	179.3	-170.8	-177.6	45.1	0	0	112.2	G69 F70 H76 R77	G69-Q73 PolarHBondContact O-N 3.15Å; G69-Q73 VanDerWaalsContact O-N 3.13Å; F70-Q73 PolarHBondContact O-N 3.4Å; Q73-H76 PolarHBondContact O-N 2.72Å; Q73-R77 WeakPolarHBondContact O-CG 3.36Å; Q73-R77 PolarHBondContact O-N 3.17Å
74	S	93.2	Very high	92.7	Very high	19 Å²	19	83.4 Å²	83.4	13%	0.133	42%	0.415	C	S	.	.	H	α-helix	trans	-66.1	-41.2	179.6	-64.6	0	0	0	0	111.9	F70 H76 F78	F70-S74 WeakPolarHBondContact CE1-OG 3.39Å; F70-S74 WeakPolarHBondContact CE2-OG 3.28Å; F70-S74 VanDerWaalsContact CZ-OG 3.23Å; F70-S74 WeakPolarHBondContact CZ-OG 3.49Å; F70-S74 WeakPolarHBondContact O-CB 3.49Å; F70-S74 PolarHBondContact O-N 2.74Å; F70-S74 PolarHBondContact O-OG 2.95Å; S74-H76 VanDerWaalsContact C-N 3.34Å; S74-H76 PolarHBondContact O-N 2.82Å; S74-F78 WeakPolarHBondContact O-CB 3.31Å; S74-F78 PolarHBondContact O-N 3.1Å
75	T	93.7	Very high	92.9	Very high	30 Å²	30	82.7 Å²	82.7	18%	0.184	41%	0.411	C	S	.	.	H	α-helix	trans	-59.2	-47.2	174.7	-60	0	0	0	0	110.6	I61 R71 A72 F78 L79 L94	I61-T75 VanDerWaalsContact CG2-OG1 3.22Å; I61-T75 WeakPolarHBondContact CG2-OG1 3.39Å; R71-T75 VanDerWaalsContact O-CB 3.24Å; R71-T75 WeakPolarHBondContact O-CB 3.43Å; R71-T75 PolarHBondContact O-N 3.43Å; R71-T75 PolarHBondContact O-OG1 3.29Å; A72-T75 PolarHBondContact O-N 3.26Å; T75-F78 PolarHBondContact O-N 3.22Å; T75-L79 HydrophobicContact CG2-CD1 3.8Å; T75-L79 HydrophobicContact CG2-CG 4.39Å; T75-L79 WeakPolarHBondContact O-CB 3.39Å; T75-L79 WeakPolarHBondContact O-CG 3.27Å; T75-L79 PolarHBondContact O-N 3.03Å; T75-L94 HydrophobicContact CG2-CD1 4.44Å
76	H	93.6	Very high	93	Very high	119 Å²	119	77 Å²	77	55%	0.551	38%	0.383	S	S	*	.	H	α-helix	trans	-60.3	-53.9	179.7	-175.6	76.5	0	0	0	111.8	A72 Q73 S74 F78 L79 E80	A72-H76 WeakPolarHBondContact O-CB 3.5Å; A72-H76 PolarHBondContact O-N 2.86Å; Q73-H76 PolarHBondContact O-N 2.72Å; S74-H76 VanDerWaalsContact C-N 3.34Å; S74-H76 PolarHBondContact O-N 2.82Å; H76-F78 VanDerWaalsContact C-N 3.27Å; H76-F78 PolarHBondContact O-N 2.96Å; H76-L79 PolarHBondContact O-N 3.38Å; H76-E80 VanDerWaalsContact O-CB 3.3Å; H76-E80 WeakPolarHBondContact O-CB 3.25Å; H76-E80 PolarHBondContact O-N 2.97Å
77	R	94.9	Very high	93.5	Very high	150 Å²	150	70 Å²	70	57%	0.566	35%	0.351	S	S	*	.	H	α-helix	trans	-59.1	-39.3	179.2	-72.3	177.7	175.6	176	-1.7	112.4	Q73 K81	Q73-R77 WeakPolarHBondContact O-CG 3.36Å; Q73-R77 PolarHBondContact O-N 3.17Å; R77-K81 WeakPolarHBondContact O-CB 3.25Å; R77-K81 PolarHBondContact O-N 3.11Å
78	F	94.8	Very high	93.8	Very high	24 Å²	24	60.2 Å²	60.2	11%	0.105	31%	0.308	C	S	.	.	H	α-helix	trans	-68	-47.2	180	-176.2	-125.4	0	0	0	111.9	I54 L57 A58 I61 S74 T75 H76 K81 L82 L94 T97	I54-F78 HydrophobicContact CB-CZ 4.36Å; I54-F78 HydrophobicContact CG2-CZ 3.76Å; I54-F78 WeakPolarHBondContact O-CZ 3.47Å; L57-F78 HydrophobicContact CB-CZ 4.39Å; L57-F78 HydrophobicContact CD2-CD2 3.9Å; L57-F78 HydrophobicContact CD2-CE2 3.65Å; L57-F78 HydrophobicContact CD2-CZ 4.21Å; L57-F78 HydrophobicContact CG-CE2 4.34Å; L57-F78 HydrophobicContact CG-CZ 4.44Å; A58-F78 HydrophobicContact CB-CE1 3.94Å; I61-F78 HydrophobicContact CD1-CB 4.22Å; I61-F78 HydrophobicContact CD1-CD1 4.11Å; I61-F78 HydrophobicContact CD1-CG 4.23Å; S74-F78 WeakPolarHBondContact O-CB 3.31Å; S74-F78 PolarHBondContact O-N 3.1Å; T75-F78 PolarHBondContact O-N 3.22Å; H76-F78 VanDerWaalsContact C-N 3.27Å; H76-F78 PolarHBondContact O-N 2.96Å; F78-K81 PolarHBondContact O-N 3.49Å; F78-L82 HydrophobicContact CD1-CD1 4.1Å; F78-L82 HydrophobicContact CD2-CD1 4.29Å; F78-L82 HydrophobicContact CD2-CG 4.43Å; F78-L82 HydrophobicContact CE1-CD1 3.71Å; F78-L82 HydrophobicContact CE2-CD1 3.89Å; F78-L82 HydrophobicContact CE2-CD2 4.44Å; F78-L82 HydrophobicContact CE2-CG 4.2Å; F78-L82 HydrophobicContact CG-CD1 4.4Å; F78-L82 HydrophobicContact CZ-CD1 3.62Å; F78-L82 HydrophobicContact CZ-CG 4.41Å; F78-L82 WeakPolarHBondContact O-CG 3.3Å; F78-L82 PolarHBondContact O-N 2.89Å; F78-L94 HydrophobicContact CD1-CD1 4.06Å; F78-L94 HydrophobicContact CE1-CD1 4.34Å; F78-T97 HydrophobicContact CD1-CG2 4.24Å; F78-T97 HydrophobicContact CE1-CG2 3.74Å
79	L	95.1	Very high	93.9	Very high	7 Å²	7	60.8 Å²	60.8	4%	0.037	32%	0.316	C	S	.	.	H	α-helix	trans	-65.4	-39.4	177.3	-71.8	176.1	0	0	0	112	T75 H76 L82 Y83 I88 R91 L94 T97	T75-L79 HydrophobicContact CG2-CD1 3.8Å; T75-L79 HydrophobicContact CG2-CG 4.39Å; T75-L79 WeakPolarHBondContact O-CB 3.39Å; T75-L79 WeakPolarHBondContact O-CG 3.27Å; T75-L79 PolarHBondContact O-N 3.03Å; H76-L79 PolarHBondContact O-N 3.38Å; L79-L82 PolarHBondContact O-N 3.27Å; L79-Y83 WeakPolarHBondContact O-CB 3.43Å; L79-Y83 PolarHBondContact O-N 3.34Å; L79-I88 HydrophobicContact CD2-CD1 4.46Å; L79-R91 WeakPolarHBondContact CD1-O 3.04Å; L79-L94 HydrophobicContact CD2-CD1 4.44Å; L79-T97 HydrophobicContact CD2-CG2 3.85Å
80	E	95.3	Very high	93.9	Very high	108 Å²	108	61 Å²	61	51%	0.505	31%	0.307	S	S	.	.	H	α-helix	trans	-59.1	-48.1	175.2	-173	-175.5	-173.7	0	0	111.3	H76 L82 Y83 S84	H76-E80 VanDerWaalsContact O-CB 3.3Å; H76-E80 WeakPolarHBondContact O-CB 3.25Å; H76-E80 PolarHBondContact O-N 2.97Å; E80-L82 PolarHBondContact O-N 3.2Å; E80-Y83 PolarHBondContact O-N 3.28Å; E80-S84 WeakPolarHBondContact O-CB 3.32Å; E80-S84 PolarHBondContact O-N 3.09Å; E80-S84 PolarHBondContact O-OG 3.28Å
81	K	94.9	Very high	93.8	Very high	141 Å²	141	63.8 Å²	63.8	61%	0.613	31%	0.314	S	S	*	.	H	α-helix	trans	-63.1	-42.4	178	-173.2	171.2	-175.2	171	0	112.9	R77 F78 Y83 S84 I85	R77-K81 WeakPolarHBondContact O-CB 3.25Å; R77-K81 PolarHBondContact O-N 3.11Å; F78-K81 PolarHBondContact O-N 3.49Å; K81-Y83 VanDerWaalsContact C-N 3.32Å; K81-S84 PolarHBondContact O-OG 3.17Å; K81-I85 HydrophobicContact CG-CD1 4.07Å; K81-I85 WeakPolarHBondContact O-CD1 3.39Å; K81-I85 VanDerWaalsContact O-CG1 3.27Å; K81-I85 WeakPolarHBondContact O-CG1 3.3Å; K81-I85 PolarHBondContact O-N 3.23Å
82	L	95.3	Very high	93.5	Very high	7 Å²	7	68.8 Å²	68.8	4%	0.037	34%	0.339	C	S	.	.	H	α-helix	trans	-69.3	-34.3	178.4	-67.6	177.2	0	0	0	112.1	I54 F78 L79 E80 G86 L87 I88 T97	I54-L82 HydrophobicContact CD1-CD2 3.79Å; I54-L82 HydrophobicContact CG1-CD2 4.24Å; I54-L82 HydrophobicContact CG2-CD1 4.02Å; I54-L82 HydrophobicContact CG2-CD2 4.2Å; F78-L82 HydrophobicContact CD1-CD1 4.1Å; F78-L82 HydrophobicContact CD2-CD1 4.29Å; F78-L82 HydrophobicContact CD2-CG 4.43Å; F78-L82 HydrophobicContact CE1-CD1 3.71Å; F78-L82 HydrophobicContact CE2-CD1 3.89Å; F78-L82 HydrophobicContact CE2-CD2 4.44Å; F78-L82 HydrophobicContact CE2-CG 4.2Å; F78-L82 HydrophobicContact CG-CD1 4.4Å; F78-L82 HydrophobicContact CZ-CD1 3.62Å; F78-L82 HydrophobicContact CZ-CG 4.41Å; F78-L82 WeakPolarHBondContact O-CG 3.3Å; F78-L82 PolarHBondContact O-N 2.89Å; L79-L82 PolarHBondContact O-N 3.27Å; E80-L82 PolarHBondContact O-N 3.2Å; L82-G86 PolarHBondContact O-N 3.18Å; L82-L87 HydrophobicContact CD2-CD1 3.78Å; L82-L87 PolarHBondContact O-N 3.3Å; L82-I88 HydrophobicContact CB-CD1 3.88Å; L82-I88 HydrophobicContact CB-CG1 4.18Å; L82-I88 HydrophobicContact CD1-CD1 3.6Å; L82-I88 HydrophobicContact CG-CD1 4.39Å; L82-T97 HydrophobicContact CD1-CG2 3.67Å
83	Y	95.3	Very high	93.3	Very high	83 Å²	83	69.6 Å²	69.6	33%	0.325	33%	0.334	S	S	.	.	H	α-helix	trans	-68.4	-47.7	175.3	179.5	-105.4	0	0	0	111.3	L79 E80 K81 I85 G86 P89 R151	L79-Y83 WeakPolarHBondContact O-CB 3.43Å; L79-Y83 PolarHBondContact O-N 3.34Å; E80-Y83 PolarHBondContact O-N 3.28Å; K81-Y83 VanDerWaalsContact C-N 3.32Å; Y83-I85 VanDerWaalsContact C-N 3.32Å; Y83-I85 PolarHBondContact O-N 2.86Å; Y83-G86 WeakPolarHBondContact O-CA 3.44Å; Y83-G86 PolarHBondContact O-N 3.38Å; Y83-P89 VanDerWaalsContact CE2-O 3.23Å; Y83-P89 WeakPolarHBondContact CE2-O 3.41Å; Y83-R151 WeakPolarHBondContact O-CD 3.01Å; Y83-R151 PolarHBondContact O-NE 3.03Å
84	S	94.8	Very high	93	Very high	44 Å²	44	66.2 Å²	66.2	31%	0.308	32%	0.319	S	S	.	.	H	α-helix	trans	-61.8	-37.2	-179.6	66	0	0	0	0	112.8	E80 K81 G86 R151	E80-S84 WeakPolarHBondContact O-CB 3.32Å; E80-S84 PolarHBondContact O-N 3.09Å; E80-S84 PolarHBondContact O-OG 3.28Å; K81-S84 PolarHBondContact O-OG 3.17Å; S84-G86 VanDerWaalsContact C-N 3.28Å; S84-G86 PolarHBondContact O-N 3.11Å; S84-R151 PolarHBondContact O-N 3.44Å
85	I	94.6	Very high	92.8	Very high	41 Å²	41	68.2 Å²	68.2	21%	0.21	33%	0.333	C	S	.	.	H	α-helix	trans	-70.1	-27.2	172.8	-63.3	168.5	0	0	0	111.7	K81 Y83 L87 R108 L148	K81-I85 HydrophobicContact CG-CD1 4.07Å; K81-I85 WeakPolarHBondContact O-CD1 3.39Å; K81-I85 VanDerWaalsContact O-CG1 3.27Å; K81-I85 WeakPolarHBondContact O-CG1 3.3Å; K81-I85 PolarHBondContact O-N 3.23Å; Y83-I85 VanDerWaalsContact C-N 3.32Å; Y83-I85 PolarHBondContact O-N 2.86Å; I85-L87 HydrophobicContact CB-CG 4.44Å; I85-L87 HydrophobicContact CG2-CD1 4.26Å; I85-L87 HydrophobicContact CG2-CD2 4.42Å; I85-L87 HydrophobicContact CG2-CG 3.91Å; I85-R108 PolarHBondContact O-NE 3.28Å; I85-L148 HydrophobicContact CG2-CD2 3.69Å
86	G	93.7	Very high	92.6	Very high	12 Å²	12	68.3 Å²	68.3	12%	0.124	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	93.2	17.7	179.7	0	0	0	0	0	114.9	L82 Y83 S84 I88	L82-G86 PolarHBondContact O-N 3.18Å; Y83-G86 WeakPolarHBondContact O-CA 3.44Å; Y83-G86 PolarHBondContact O-N 3.38Å; S84-G86 VanDerWaalsContact C-N 3.28Å; S84-G86 PolarHBondContact O-N 3.11Å; G86-I88 VanDerWaalsContact C-N 3.33Å
87	L	94.3	Very high	92.4	Very high	14 Å²	14	62.6 Å²	62.6	7%	0.073	31%	0.306	C	S	.	.	S	Bend	trans	-75.6	-24.9	177.5	-62.4	177.7	0	0	0	112.7	I54 L82 I85 F105 R108	I54-L87 HydrophobicContact CD1-CD1 3.93Å; L82-L87 HydrophobicContact CD2-CD1 3.78Å; L82-L87 PolarHBondContact O-N 3.3Å; I85-L87 HydrophobicContact CB-CG 4.44Å; I85-L87 HydrophobicContact CG2-CD1 4.26Å; I85-L87 HydrophobicContact CG2-CD2 4.42Å; I85-L87 HydrophobicContact CG2-CG 3.91Å; L87-F105 HydrophobicContact CD1-CD1 4.38Å; L87-F105 HydrophobicContact CD1-CE1 3.64Å; L87-F105 HydrophobicContact CD1-CE2 4.08Å; L87-F105 HydrophobicContact CD1-CZ 3.47Å; L87-F105 VanDerWaalsContact CD1-CZ 3.47Å; L87-F105 HydrophobicContact CD2-CD1 3.82Å; L87-F105 HydrophobicContact CD2-CD2 4.11Å; L87-F105 HydrophobicContact CD2-CE1 3.93Å; L87-F105 HydrophobicContact CD2-CE2 4.22Å; L87-F105 HydrophobicContact CD2-CG 3.91Å; L87-F105 HydrophobicContact CD2-CZ 4.14Å; L87-F105 HydrophobicContact CG-CE1 4.42Å; L87-F105 HydrophobicContact CG-CZ 4.48Å; L87-R108 HydrophobicContact CD2-CG 4.49Å
88	I	94.3	Very high	92.2	Very high	3 Å²	3	59.5 Å²	59.5	2%	0.015	30%	0.298	C	S	.	.	S	Bend	trans	-125.9	142.6	-178.8	-61.6	-178.1	0	0	0	109.5	L79 L82 G86 T90 L96 T97 V100 R151	L79-I88 HydrophobicContact CD2-CD1 4.46Å; L82-I88 HydrophobicContact CB-CD1 3.88Å; L82-I88 HydrophobicContact CB-CG1 4.18Å; L82-I88 HydrophobicContact CD1-CD1 3.6Å; L82-I88 HydrophobicContact CG-CD1 4.39Å; G86-I88 VanDerWaalsContact C-N 3.33Å; I88-T90 WeakPolarHBondContact CG2-O 3.47Å; I88-L96 HydrophobicContact CD1-CB 4.27Å; I88-L96 HydrophobicContact CG2-CB 3.69Å; I88-L96 HydrophobicContact CG2-CD1 3.67Å; I88-L96 HydrophobicContact CG2-CG 4.31Å; I88-T97 HydrophobicContact CD1-CG2 3.6Å; I88-V100 HydrophobicContact CD1-CG2 4.05Å; I88-V100 HydrophobicContact CG1-CG2 3.81Å; I88-R151 PolarHBondContact O-NH2 3.31Å
89	P	91.8	Very high	92.1	Very high	88 Å²	88	65.9 Å²	65.9	57%	0.571	33%	0.326	S	S	*	.	S	Bend	trans	-74.5	-32.4	178.6	28.9	-36.5	0	0	0	114.6	Y83	Y83-P89 VanDerWaalsContact CE2-O 3.23Å; Y83-P89 WeakPolarHBondContact CE2-O 3.41Å
90	T	91.6	Very high	92	Very high	61 Å²	61	65.6 Å²	65.6	37%	0.374	32%	0.324	S	S	.	.			trans	-137.3	153	-176.4	58.2	0	0	0	0	112	I88 L96	I88-T90 WeakPolarHBondContact CG2-O 3.47Å; T90-L96 WeakPolarHBondContact OG1-CD1 3.12Å
91	R	90.4	Very high	91.9	Very high	170 Å²	170	63.6 Å²	63.6	64%	0.642	32%	0.32	S	S	*	.	S	Bend	trans	-95	10.4	-177.3	53.8	-178.8	155.4	91.3	-1.7	114.7	L79	L79-R91 WeakPolarHBondContact CD1-O 3.04Å
92	Q	86.1	Confident	91.9	Very high	158 Å²	158	57 Å²	57	74%	0.738	29%	0.291	S	S	*	.	S	Bend	trans	-87.4	-39	-170.3	-68.3	175.8	-11.9	0	0	113
93	N	87.5	Confident	91.8	Very high	85 Å²	85	57.6 Å²	57.6	46%	0.455	30%	0.296	S	S	.	.			trans	-120.5	123.4	-166.4	-68.8	-17.8	0	0	0	112.3	S95 L96	N93-S95 PolarHBondContact O-N 3.26Å; N93-L96 HydrophobicContact CB-CD1 4.31Å; N93-L96 HydrophobicContact CB-CG 4.19Å; N93-L96 WeakPolarHBondContact O-CB 3.46Å; N93-L96 PolarHBondContact O-N 3.08Å
94	L	88.4	Confident	91.8	Very high	26 Å²	26	54.6 Å²	54.6	14%	0.136	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-64.7	-24.5	172.8	-171	65.2	0	0	0	112.3	A58 I61 R62 T75 F78 L79 L96 T97	A58-L94 HydrophobicContact CB-CD1 4.2Å; I61-L94 HydrophobicContact CG2-CD2 4.21Å; R62-L94 HydrophobicContact CB-CD2 4.47Å; T75-L94 HydrophobicContact CG2-CD1 4.44Å; F78-L94 HydrophobicContact CD1-CD1 4.06Å; F78-L94 HydrophobicContact CE1-CD1 4.34Å; L79-L94 HydrophobicContact CD2-CD1 4.44Å; L94-L96 PolarHBondContact O-N 3.41Å; L94-L96 VanDerWaalsContact O-N 3.14Å; L94-T97 HydrophobicContact CD1-CG2 3.87Å; L94-T97 WeakPolarHBondContact O-CG2 3.49Å; L94-T97 PolarHBondContact O-N 2.8Å; L94-T97 VanDerWaalsContact O-N 3.09Å; L94-T97 PolarHBondContact O-OG1 2.87Å
95	S	88.9	Confident	91.8	Very high	61 Å²	61	53.2 Å²	53.2	43%	0.427	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-61.4	-21.7	176.1	58.1	0	0	0	0	113.7	N93 T97 E98	N93-S95 PolarHBondContact O-N 3.26Å; S95-T97 VanDerWaalsContact C-N 3.25Å; S95-T97 PolarHBondContact O-N 3.38Å; S95-E98 PolarHBondContact O-N 2.94Å
96	L	89.6	Confident	91.9	Very high	32 Å²	32	51.2 Å²	51.2	17%	0.168	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-69.2	-24.6	176.9	-64	173.5	0	0	0	112.7	I88 T90 N93 L94 E98 K99	I88-L96 HydrophobicContact CD1-CB 4.27Å; I88-L96 HydrophobicContact CG2-CB 3.69Å; I88-L96 HydrophobicContact CG2-CD1 3.67Å; I88-L96 HydrophobicContact CG2-CG 4.31Å; T90-L96 WeakPolarHBondContact OG1-CD1 3.12Å; N93-L96 HydrophobicContact CB-CD1 4.31Å; N93-L96 HydrophobicContact CB-CG 4.19Å; N93-L96 WeakPolarHBondContact O-CB 3.46Å; N93-L96 PolarHBondContact O-N 3.08Å; L94-L96 PolarHBondContact O-N 3.41Å; L94-L96 VanDerWaalsContact O-N 3.14Å; L96-E98 PolarHBondContact O-N 2.92Å; L96-K99 PolarHBondContact O-N 2.67Å
97	T	89.9	Confident	91.9	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-68	-26.7	179.4	69	0	0	0	0	111.8	A58 F78 L79 L82 I88 L94 S95 K99 V100	A58-T97 WeakPolarHBondContact CB-OG1 3.47Å; F78-T97 HydrophobicContact CD1-CG2 4.24Å; F78-T97 HydrophobicContact CE1-CG2 3.74Å; L79-T97 HydrophobicContact CD2-CG2 3.85Å; L82-T97 HydrophobicContact CD1-CG2 3.67Å; I88-T97 HydrophobicContact CD1-CG2 3.6Å; L94-T97 HydrophobicContact CD1-CG2 3.87Å; L94-T97 WeakPolarHBondContact O-CG2 3.49Å; L94-T97 PolarHBondContact O-N 2.8Å; L94-T97 VanDerWaalsContact O-N 3.09Å; L94-T97 PolarHBondContact O-OG1 2.87Å; S95-T97 VanDerWaalsContact C-N 3.25Å; S95-T97 PolarHBondContact O-N 3.38Å; T97-K99 PolarHBondContact O-N 2.91Å; T97-V100 WeakPolarHBondContact O-CB 3.47Å; T97-V100 WeakPolarHBondContact O-CG2 3.4Å; T97-V100 PolarHBondContact O-N 3.16Å
98	E	90.1	Very high	92	Very high	85 Å²	85	57.4 Å²	57.4	40%	0.397	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-67.2	-28.1	175.7	-62.4	-172.6	157.1	0	0	112.7	R55 R62 S95 L96 V100	R55-E98 WeakPolarHBondContact CD-O 3.27Å; R62-E98 IonicContact CZ-OE1 3.79Å; R62-E98 IonicContact NH1-OE1 2.71Å; R62-E98 PolarHBondContact NH1-OE1 3.34Å; R62-E98 IonicContact NH2-OE1 3.13Å; R62-E98 PolarHBondContact NH2-OE1 2.84Å; S95-E98 PolarHBondContact O-N 2.94Å; L96-E98 PolarHBondContact O-N 2.92Å; E98-V100 VanDerWaalsContact C-N 3.26Å; E98-V100 PolarHBondContact O-N 3.29Å
99	K	91.5	Very high	92.1	Very high	157 Å²	157	58.1 Å²	58.1	68%	0.683	29%	0.287	S	S	*	.	G	3₁₀ helix	trans	-82.9	-4	178.8	-61.1	-178.6	179.8	179.1	0	112.6	L96 T97 T101	L96-K99 PolarHBondContact O-N 2.67Å; T97-K99 PolarHBondContact O-N 2.91Å; K99-T101 PolarHBondContact O-N 2.92Å
100	V	93.6	Very high	92.2	Very high	1 Å²	1	54 Å²	54	1%	0.006	26%	0.259	C	S	.	.			trans	-71.2	120.2	177.7	178.8	0	0	0	0	109	I54 I88 T97 E98 F105	I54-V100 HydrophobicContact CD1-CG1 4.25Å; I54-V100 HydrophobicContact CG2-CB 4.33Å; I54-V100 HydrophobicContact CG2-CG1 4.39Å; I54-V100 HydrophobicContact CG2-CG2 4.49Å; I88-V100 HydrophobicContact CD1-CG2 4.05Å; I88-V100 HydrophobicContact CG1-CG2 3.81Å; T97-V100 WeakPolarHBondContact O-CB 3.47Å; T97-V100 WeakPolarHBondContact O-CG2 3.4Å; T97-V100 PolarHBondContact O-N 3.16Å; E98-V100 VanDerWaalsContact C-N 3.26Å; E98-V100 PolarHBondContact O-N 3.29Å; V100-F105 HydrophobicContact CG1-CE2 4.15Å
101	T	93.9	Very high	92.5	Very high	67 Å²	67	51.2 Å²	51.2	41%	0.411	24%	0.243	S	C	.	.			trans	-124.3	171.5	179.6	57.7	0	0	0	0	110.1	K99 S103 S104	K99-T101 PolarHBondContact O-N 2.92Å; T101-S103 PolarHBondContact O-N 2.9Å; T101-S104 PolarHBondContact N-OG 3.04Å; T101-S104 VanDerWaalsContact O-CB 3.31Å; T101-S104 WeakPolarHBondContact O-CB 3.48Å; T101-S104 PolarHBondContact O-N 3.48Å
102	A	93.9	Very high	92.7	Very high	2 Å²	2	43.6 Å²	43.6	2%	0.017	22%	0.216	C	C	.	.	H	α-helix	trans	-53.7	-34	171.5	0	0	0	0	0	112.4	Y44 N48 S104 F105 C106	Y44-A102 HydrophobicContact CD2-CB 3.97Å; Y44-A102 HydrophobicContact CE2-CB 3.54Å; N48-A102 HydrophobicContact CB-CB 4.27Å; A102-S104 VanDerWaalsContact C-N 3.25Å; A102-S104 PolarHBondContact O-N 3.42Å; A102-F105 WeakPolarHBondContact O-CB 3.39Å; A102-F105 PolarHBondContact O-N 3.25Å; A102-C106 PolarHBondContact O-N 3.2Å; A102-C106 VanDerWaalsContact O-N 3.11Å; A102-C106 PolarHBondContact O-SG 3.43Å
103	S	94.1	Very high	93.2	Very high	20 Å²	20	36.1 Å²	36.1	14%	0.14	18%	0.181	C	C	.	.	H	α-helix	trans	-60.9	-31.4	175.3	-77.3	0	0	0	0	113.3	T101 F105 C106 R107	T101-S103 PolarHBondContact O-N 2.9Å; S103-F105 VanDerWaalsContact C-N 3.32Å; S103-F105 PolarHBondContact O-N 3.07Å; S103-C106 PolarHBondContact O-N 3.32Å; S103-R107 WeakPolarHBondContact O-CG 3.27Å; S103-R107 PolarHBondContact O-N 2.96Å; S103-R107 VanDerWaalsContact O-N 3.09Å
104	S	94.7	Very high	93.6	Very high	19 Å²	19	32.1 Å²	32.1	13%	0.133	16%	0.159	C	C	.	.	H	α-helix	trans	-63.3	-39.6	176.8	-57.3	0	0	0	0	111.5	T101 A102	T101-S104 PolarHBondContact N-OG 3.04Å; T101-S104 VanDerWaalsContact O-CB 3.31Å; T101-S104 WeakPolarHBondContact O-CB 3.48Å; T101-S104 PolarHBondContact O-N 3.48Å; A102-S104 VanDerWaalsContact C-N 3.25Å; A102-S104 PolarHBondContact O-N 3.42Å
105	F	95.8	Very high	94	Very high	15 Å²	15	33.9 Å²	33.9	7%	0.066	17%	0.168	C	C	.	.	H	α-helix	trans	-68.1	-42.2	173.5	-69.8	-90.9	0	0	0	111.8	Y47 L50 I54 L87 V100 A102 S103 R107 R108 R109 L148	Y47-F105 HydrophobicContact CD1-CB 3.6Å; Y47-F105 AromaticContact CD1-CD1 3.92Å; Y47-F105 HydrophobicContact CD1-CD1 3.92Å; Y47-F105 AromaticContact CD1-CG 3.78Å; Y47-F105 HydrophobicContact CD1-CG 3.78Å; Y47-F105 HydrophobicContact CD2-CB 4.31Å; Y47-F105 HydrophobicContact CE1-CB 4.07Å; Y47-F105 HydrophobicContact CE1-CD1 4.32Å; Y47-F105 HydrophobicContact CE1-CG 4.45Å; Y47-F105 HydrophobicContact CG-CB 3.76Å; Y47-F105 HydrophobicContact CG-CG 4.21Å; L50-F105 HydrophobicContact CB-CE2 4.44Å; L50-F105 HydrophobicContact CB-CZ 4.07Å; I54-F105 HydrophobicContact CD1-CE2 4.13Å; I54-F105 HydrophobicContact CD1-CZ 3.62Å; L87-F105 HydrophobicContact CD1-CD1 4.38Å; L87-F105 HydrophobicContact CD1-CE1 3.64Å; L87-F105 HydrophobicContact CD1-CE2 4.08Å; L87-F105 HydrophobicContact CD1-CZ 3.47Å; L87-F105 VanDerWaalsContact CD1-CZ 3.47Å; L87-F105 HydrophobicContact CD2-CD1 3.82Å; L87-F105 HydrophobicContact CD2-CD2 4.11Å; L87-F105 HydrophobicContact CD2-CE1 3.93Å; L87-F105 HydrophobicContact CD2-CE2 4.22Å; L87-F105 HydrophobicContact CD2-CG 3.91Å; L87-F105 HydrophobicContact CD2-CZ 4.14Å; L87-F105 HydrophobicContact CG-CE1 4.42Å; L87-F105 HydrophobicContact CG-CZ 4.48Å; V100-F105 HydrophobicContact CG1-CE2 4.15Å; A102-F105 WeakPolarHBondContact O-CB 3.39Å; A102-F105 PolarHBondContact O-N 3.25Å; S103-F105 VanDerWaalsContact C-N 3.32Å; S103-F105 PolarHBondContact O-N 3.07Å; F105-R107 VanDerWaalsContact C-N 3.26Å; F105-R107 PolarHBondContact O-N 2.93Å; F105-R108 PolarHBondContact O-N 2.88Å; F105-R109 PolarHBondContact O-N 3.36Å; F105-L148 HydrophobicContact CD1-CD1 3.77Å
106	C	95.1	Very high	94.2	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-59.9	-36.9	-179.5	-58.6	0	0	0	0	112.1	Y36 I38 A102 S103 R108 R109 S112	Y36-C106 HydrophobicContact CD1-CB 4Å; Y36-C106 HydrophobicContact CD2-CB 3.46Å; Y36-C106 VanDerWaalsContact CD2-CB 3.46Å; Y36-C106 HydrophobicContact CE1-CB 4.3Å; Y36-C106 HydrophobicContact CE2-CB 3.78Å; Y36-C106 HydrophobicContact CG-CB 3.58Å; I38-C106 HydrophobicContact CD1-CB 4.27Å; I38-C106 WeakPolarHBondContact CD1-SG 3.35Å; A102-C106 PolarHBondContact O-N 3.2Å; A102-C106 VanDerWaalsContact O-N 3.11Å; A102-C106 PolarHBondContact O-SG 3.43Å; S103-C106 PolarHBondContact O-N 3.32Å; C106-R108 VanDerWaalsContact C-N 3.26Å; C106-R108 PolarHBondContact O-N 3.26Å; C106-R109 WeakPolarHBondContact O-CB 3.21Å; C106-R109 PolarHBondContact O-N 2.98Å; C106-S112 PolarHBondContact O-OG 3.16Å
107	R	94.9	Very high	94.5	Very high	136 Å²	136	38 Å²	38	51%	0.513	19%	0.185	S	C	.	.	H	α-helix	trans	-67.1	-23.3	175.1	-68.9	176.2	-161.8	175.5	7.9	114	Y36 S103 F105 S112	Y36-R107 HydrophobicContact CE1-CG 3.66Å; Y36-R107 WeakPolarHBondContact OH-CG 3.47Å; Y36-R107 PolarHBondContact OH-NE 3.1Å; Y36-R107 VanDerWaalsContact OH-NE 3.1Å; S103-R107 WeakPolarHBondContact O-CG 3.27Å; S103-R107 PolarHBondContact O-N 2.96Å; S103-R107 VanDerWaalsContact O-N 3.09Å; F105-R107 VanDerWaalsContact C-N 3.26Å; F105-R107 PolarHBondContact O-N 2.93Å; R107-S112 WeakPolarHBondContact O-CB 3.47Å
108	R	95.8	Very high	94.7	Very high	20 Å²	20	48.9 Å²	48.9	8%	0.075	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-1.7	177.4	-64.1	-53.6	-58.5	177.3	2.1	113.3	I85 L87 F105 C106 L148 V149 T150 E154	I85-R108 PolarHBondContact O-NE 3.28Å; L87-R108 HydrophobicContact CD2-CG 4.49Å; F105-R108 PolarHBondContact O-N 2.88Å; C106-R108 VanDerWaalsContact C-N 3.26Å; C106-R108 PolarHBondContact O-N 3.26Å; R108-L148 HydrophobicContact CB-CD1 4.46Å; R108-L148 HydrophobicContact CB-CD2 3.77Å; R108-L148 HydrophobicContact CB-CG 3.87Å; R108-V149 VanDerWaalsContact CZ-O 3.29Å; R108-V149 PolarHBondContact NE-O 2.98Å; R108-V149 PolarHBondContact NH2-O 3.33Å; R108-V149 PolarHBondContact O-N 3.44Å; R108-T150 PolarHBondContact NH2-O 2.93Å; R108-T150 VanDerWaalsContact NH2-O 3.09Å; R108-E154 IonicContact CZ-OE2 3.67Å; R108-E154 VanDerWaalsContact CZ-OE2 3.26Å; R108-E154 IonicContact NH1-OE2 2.8Å; R108-E154 PolarHBondContact NH1-OE2 3.29Å; R108-E154 IonicContact NH2-OE2 3.03Å; R108-E154 PolarHBondContact NH2-OE2 2.74Å
109	R	95.8	Very high	94.9	Very high	18 Å²	18	46.4 Å²	46.4	7%	0.068	22%	0.215	C	C	.	.	B	Isolated β-bridge	trans	-66	144.4	171.2	-65.8	177.8	72.6	135.9	3	109.8	D43 F105 C106 P111 S112 I113 P145 A146 F147	D43-R109 IonicContact OD2-CZ 2.74Å; D43-R109 IonicContact OD2-NH1 3.68Å; D43-R109 PolarHBondContact OD2-NH1 3.04Å; D43-R109 IonicContact OD2-NH2 3.44Å; D43-R109 PolarHBondContact OD2-NH2 3.18Å; F105-R109 PolarHBondContact O-N 3.36Å; C106-R109 WeakPolarHBondContact O-CB 3.21Å; C106-R109 PolarHBondContact O-N 2.98Å; R109-P111 VanDerWaalsContact C-CD 3.43Å; R109-P111 VanDerWaalsContact C-N 3.35Å; R109-S112 WeakPolarHBondContact O-CB 3.4Å; R109-S112 PolarHBondContact O-N 3.01Å; R109-I113 PolarHBondContact O-N 2.84Å; R109-I113 VanDerWaalsContact O-N 3.16Å; R109-P145 PolarHBondContact NE-O 3.25Å; R109-A146 VanDerWaalsContact NH2-CB 3.25Å; R109-F147 WeakPolarHBondContact CA-O 3.4Å
110	L	95.6	Very high	95.1	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-47.9	-45.3	-177.5	-177	64	0	0	0	114.2	S112 I113 M114 I130 V135 V137 V142 F147 V149 V157	L110-S112 VanDerWaalsContact C-N 3.32Å; L110-S112 PolarHBondContact O-N 3.41Å; L110-I113 PolarHBondContact O-N 3.03Å; L110-M114 HydrophobicContact CD1-CG 4.49Å; L110-M114 HydrophobicContact CG-SD 4.5Å; L110-M114 WeakPolarHBondContact O-CG 3.43Å; L110-M114 PolarHBondContact O-N 3.35Å; L110-I130 HydrophobicContact CB-CD1 4.14Å; L110-I130 HydrophobicContact CD2-CD1 3.84Å; L110-I130 HydrophobicContact CD2-CG1 3.87Å; L110-I130 HydrophobicContact CD2-CG2 4.03Å; L110-I130 HydrophobicContact CG-CD1 3.72Å; L110-I130 HydrophobicContact CG-CG1 4.2Å; L110-V135 HydrophobicContact CD1-CG1 4.37Å; L110-V135 HydrophobicContact CD2-CG1 4.28Å; L110-V137 HydrophobicContact CD1-CG2 3.93Å; L110-V142 HydrophobicContact CD2-CB 3.98Å; L110-V142 HydrophobicContact CD2-CG1 3.67Å; L110-F147 HydrophobicContact CB-CB 4.43Å; L110-F147 PolarHBondContact N-O 3.45Å; L110-V149 HydrophobicContact CB-CG2 4.01Å; L110-V149 HydrophobicContact CD1-CG2 3.58Å; L110-V149 HydrophobicContact CG-CG2 4.41Å; L110-V157 HydrophobicContact CD1-CG1 3.87Å; L110-V157 HydrophobicContact CD1-CG2 4.25Å
111	P	96.5	Very high	95.1	Very high	4 Å²	4	47.4 Å²	47.4	3%	0.026	22%	0.224	C	C	.	.	H	α-helix	trans	-62	-36.1	177.9	-18.5	27.6	0	0	0	114.2	R109 L115 L123 A126 I127 I130 P145	R109-P111 VanDerWaalsContact C-CD 3.43Å; R109-P111 VanDerWaalsContact C-N 3.35Å; P111-L115 PolarHBondContact O-N 3.24Å; P111-L123 HydrophobicContact CB-CD2 4.11Å; P111-A126 HydrophobicContact CB-CB 3.99Å; P111-I127 HydrophobicContact CB-CG1 3.8Å; P111-I127 HydrophobicContact CG-CD1 4.44Å; P111-I127 HydrophobicContact CG-CG1 3.62Å; P111-I130 HydrophobicContact CB-CD1 4.08Å; P111-I130 HydrophobicContact CG-CD1 3.58Å; P111-P145 WeakPolarHBondContact CD-O 3.3Å; P111-P145 HydrophobicContact CG-CB 3.86Å
112	S	96	Very high	95.2	Very high	10 Å²	10	48.8 Å²	48.8	7%	0.07	23%	0.228	C	C	.	.	H	α-helix	trans	-71.2	-35.9	178.6	-67.5	0	0	0	0	111.4	C106 R107 R109 L110 L115 N116	C106-S112 PolarHBondContact O-OG 3.16Å; R107-S112 WeakPolarHBondContact O-CB 3.47Å; R109-S112 WeakPolarHBondContact O-CB 3.4Å; R109-S112 PolarHBondContact O-N 3.01Å; L110-S112 VanDerWaalsContact C-N 3.32Å; L110-S112 PolarHBondContact O-N 3.41Å; S112-L115 PolarHBondContact O-N 3.48Å; S112-N116 PolarHBondContact O-N 3.39Å; S112-N116 PolarHBondContact O-ND2 3.45Å
113	I	96	Very high	95.2	Very high	1 Å²	1	50.1 Å²	50.1	1%	0.005	24%	0.235	C	C	.	.	H	α-helix	trans	-67.9	-43.9	175.5	-63.7	-63.3	0	0	0	110.7	R109 L110 L115 N116 L117 V149 E154 V157	R109-I113 PolarHBondContact O-N 2.84Å; R109-I113 VanDerWaalsContact O-N 3.16Å; L110-I113 PolarHBondContact O-N 3.03Å; I113-L115 PolarHBondContact O-N 2.85Å; I113-N116 WeakPolarHBondContact O-CB 3.31Å; I113-N116 PolarHBondContact O-N 3.27Å; I113-L117 HydrophobicContact CG2-CD1 3.9Å; I113-L117 HydrophobicContact CG2-CG 4.31Å; I113-L117 WeakPolarHBondContact O-CG 3.41Å; I113-L117 PolarHBondContact O-N 3.01Å; I113-V149 HydrophobicContact CG1-CB 4.21Å; I113-V149 HydrophobicContact CG1-CG2 4.5Å; I113-E154 HydrophobicContact CG2-CG 3.83Å; I113-V157 HydrophobicContact CG2-CG2 4.46Å
114	M	95.9	Very high	95.3	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-57.1	-37	174.8	-73.6	-179.9	72.4	0	0	113.2	L110 L117 R118 M119 A126 F129 I130 V135 V157 W159	L110-M114 HydrophobicContact CD1-CG 4.49Å; L110-M114 HydrophobicContact CG-SD 4.5Å; L110-M114 WeakPolarHBondContact O-CG 3.43Å; L110-M114 PolarHBondContact O-N 3.35Å; M114-L117 PolarHBondContact O-N 2.9Å; M114-R118 PolarHBondContact O-N 3.23Å; M114-R118 VanDerWaalsContact O-N 3.15Å; M114-M119 HydrophobicContact CB-CB 4.28Å; M114-M119 HydrophobicContact CE-CB 4.13Å; M114-M119 HydrophobicContact CE-CE 4.45Å; M114-M119 HydrophobicContact CG-SD 4.27Å; M114-M119 PolarHBondContact O-N 2.86Å; M114-A126 HydrophobicContact CB-CB 4.32Å; M114-A126 HydrophobicContact SD-CB 4.28Å; M114-F129 HydrophobicContact CE-CB 4.5Å; M114-F129 HydrophobicContact CE-CD2 4.5Å; M114-I130 HydrophobicContact SD-CD1 3.58Å; M114-I130 VanDerWaalsContact SD-CD1 3.58Å; M114-I130 HydrophobicContact SD-CG1 3.58Å; M114-I130 VanDerWaalsContact SD-CG1 3.58Å; M114-V135 HydrophobicContact CE-CG2 3.45Å; M114-V135 VanDerWaalsContact CE-CG2 3.45Å; M114-V135 HydrophobicContact SD-CG1 4.2Å; M114-V135 HydrophobicContact SD-CG2 3.73Å; M114-V157 HydrophobicContact CG-CG1 4.4Å; M114-W159 HydrophobicContact CE-CH2 3.9Å; M114-W159 HydrophobicContact CE-CZ3 4.12Å
115	L	95.9	Very high	95.3	Very high	63 Å²	63	57.1 Å²	57.1	33%	0.33	27%	0.265	S	S	.	.	H	α-helix	trans	-67.1	-41.3	175.9	-169.6	68.1	0	0	0	111.4	P111 S112 I113 L117 R118 A120 Q121 L123	P111-L115 PolarHBondContact O-N 3.24Å; S112-L115 PolarHBondContact O-N 3.48Å; I113-L115 PolarHBondContact O-N 2.85Å; L115-L117 VanDerWaalsContact C-N 3.35Å; L115-R118 PolarHBondContact O-N 2.79Å; L115-R118 VanDerWaalsContact O-N 3.14Å; L115-A120 VanDerWaalsContact CD1-O 3.25Å; L115-A120 WeakPolarHBondContact CD1-O 3.39Å; L115-Q121 VanDerWaalsContact CD1-C 3.48Å; L115-Q121 VanDerWaalsContact CD1-O 3.26Å; L115-Q121 WeakPolarHBondContact CD1-O 3.42Å; L115-L123 HydrophobicContact CD2-CD2 4.39Å; L115-L123 HydrophobicContact CD2-CG 4.19Å
116	N	94.3	Very high	95.3	Very high	108 Å²	108	56.4 Å²	56.4	58%	0.578	26%	0.262	S	S	*	.	H	α-helix	trans	-65.6	-38.5	176.2	-65.1	-23	0	0	0	111.9	S112 I113 R118	S112-N116 PolarHBondContact O-N 3.39Å; S112-N116 PolarHBondContact O-ND2 3.45Å; I113-N116 WeakPolarHBondContact O-CB 3.31Å; I113-N116 PolarHBondContact O-N 3.27Å; N116-R118 PolarHBondContact O-N 3.45Å
117	L	95.1	Very high	95.4	Very high	72 Å²	72	56.8 Å²	56.8	38%	0.377	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-0.2	174.4	-66.1	175.4	0	0	0	113.4	I113 M114 L115 M119 V157	I113-L117 HydrophobicContact CG2-CD1 3.9Å; I113-L117 HydrophobicContact CG2-CG 4.31Å; I113-L117 WeakPolarHBondContact O-CG 3.41Å; I113-L117 PolarHBondContact O-N 3.01Å; M114-L117 PolarHBondContact O-N 2.9Å; L115-L117 VanDerWaalsContact C-N 3.35Å; L117-M119 HydrophobicContact CB-CG 4.13Å; L117-M119 HydrophobicContact CD1-SD 4.42Å; L117-M119 PolarHBondContact O-N 2.92Å; L117-V157 HydrophobicContact CD1-CB 3.97Å; L117-V157 HydrophobicContact CD1-CG1 4.27Å
118	R	95	Very high	95.4	Very high	229 Å²	229	52.6 Å²	52.6	86%	0.864	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.2	22.8	-177.2	-53.5	-177.6	177.9	-173.5	-0.2	114.6	M114 L115 N116 A120	M114-R118 PolarHBondContact O-N 3.23Å; M114-R118 VanDerWaalsContact O-N 3.15Å; L115-R118 PolarHBondContact O-N 2.79Å; L115-R118 VanDerWaalsContact O-N 3.14Å; N116-R118 PolarHBondContact O-N 3.45Å; R118-A120 VanDerWaalsContact C-N 3.3Å
119	M	93.9	Very high	95.4	Very high	33 Å²	33	54 Å²	54	16%	0.163	26%	0.26	C	S	.	.	S	Bend	trans	-71.5	-27.1	173.7	-67.2	-178.7	75.1	0	0	112.3	M114 L117 V157 W159	M114-M119 HydrophobicContact CB-CB 4.28Å; M114-M119 HydrophobicContact CE-CB 4.13Å; M114-M119 HydrophobicContact CE-CE 4.45Å; M114-M119 HydrophobicContact CG-SD 4.27Å; M114-M119 PolarHBondContact O-N 2.86Å; L117-M119 HydrophobicContact CB-CG 4.13Å; L117-M119 HydrophobicContact CD1-SD 4.42Å; L117-M119 PolarHBondContact O-N 2.92Å; M119-V157 HydrophobicContact SD-CG1 3.95Å; M119-W159 HydrophobicContact CB-CH2 4.48Å; M119-W159 HydrophobicContact CB-CZ2 3.93Å; M119-W159 HydrophobicContact CE-CD2 3.64Å; M119-W159 VanDerWaalsContact CE-CE2 3.47Å; M119-W159 HydrophobicContact CE-CE3 4.13Å; M119-W159 HydrophobicContact CE-CG 3.99Å; M119-W159 HydrophobicContact CE-CH2 4.32Å; M119-W159 HydrophobicContact CE-CZ2 3.85Å; M119-W159 HydrophobicContact CE-CZ3 4.45Å; M119-W159 WeakPolarHBondContact O-CZ2 3.37Å
120	A	95.1	Very high	95.5	Very high	8 Å²	8	53.1 Å²	53.1	7%	0.066	26%	0.257	C	S	.	.			trans	-134.8	150.3	176.5	0	0	0	0	0	109.7	L115 R118 A126 F129	L115-A120 VanDerWaalsContact CD1-O 3.25Å; L115-A120 WeakPolarHBondContact CD1-O 3.39Å; R118-A120 VanDerWaalsContact C-N 3.3Å; A120-A126 HydrophobicContact CB-CB 3.72Å; A120-F129 HydrophobicContact CB-CD2 4.38Å; A120-F129 HydrophobicContact CB-CE2 4.37Å
121	Q	93.5	Very high	95.5	Very high	171 Å²	171	57.5 Å²	57.5	80%	0.799	28%	0.277	S	S	*	.	S	Bend	trans	-81.8	-30.1	178.4	-64.9	177.9	-6	0	0	113	L115	L115-Q121 VanDerWaalsContact CD1-C 3.48Å; L115-Q121 VanDerWaalsContact CD1-O 3.26Å; L115-Q121 WeakPolarHBondContact CD1-O 3.42Å
122	N	95.6	Very high	95.4	Very high	95 Å²	95	63.3 Å²	63.3	51%	0.508	30%	0.304	S	S	.	.	S	Bend	trans	-135	152.4	-173.8	-69	-49.4	0	0	0	110.6	K124 T125 A126	N122-K124 VanDerWaalsContact C-N 3.3Å; N122-K124 PolarHBondContact O-N 2.96Å; N122-T125 HydrophobicContact CB-CG2 4.38Å; N122-T125 PolarHBondContact N-OG1 3.41Å; N122-T125 PolarHBondContact O-N 2.68Å; N122-T125 PolarHBondContact O-OG1 3.38Å; N122-A126 PolarHBondContact O-N 3.27Å
123	L	95	Very high	95.4	Very high	30 Å²	30	63.7 Å²	63.7	16%	0.157	31%	0.309	C	S	.	.	H	α-helix	trans	-61.7	-38.9	175.4	-77.8	170.9	0	0	0	112.6	K35 H37 P111 L115 T125 A126 I127	K35-L123 WeakPolarHBondContact O-CD1 3.4Å; H37-L123 HydrophobicContact CB-CB 4.33Å; P111-L123 HydrophobicContact CB-CD2 4.11Å; L115-L123 HydrophobicContact CD2-CD2 4.39Å; L115-L123 HydrophobicContact CD2-CG 4.19Å; L123-T125 VanDerWaalsContact C-N 3.33Å; L123-T125 PolarHBondContact O-N 3.21Å; L123-A126 PolarHBondContact O-N 2.99Å; L123-I127 VanDerWaalsContact O-CG1 3.3Å; L123-I127 WeakPolarHBondContact O-CG1 3.33Å; L123-I127 PolarHBondContact O-N 3.18Å
124	K	95.1	Very high	95.4	Very high	139 Å²	139	65.6 Å²	65.6	60%	0.604	32%	0.318	S	S	*	.	H	α-helix	trans	-61.4	-42.6	178.1	-171.7	-179.6	179.3	-175.4	0	111.5	N122 I127 T128	N122-K124 VanDerWaalsContact C-N 3.3Å; N122-K124 PolarHBondContact O-N 2.96Å; K124-I127 PolarHBondContact O-N 2.93Å; K124-T128 WeakPolarHBondContact O-CG2 3.25Å; K124-T128 PolarHBondContact O-N 3.31Å; K124-T128 VanDerWaalsContact O-N 3.08Å; K124-T128 PolarHBondContact O-OG1 3.04Å
125	T	95.6	Very high	95.4	Very high	48 Å²	48	65.6 Å²	65.6	29%	0.294	32%	0.318	S	S	.	.	H	α-helix	trans	-71.4	-37.6	179.1	56.3	0	0	0	0	111.8	N122 L123 I127 T128 F129	N122-T125 HydrophobicContact CB-CG2 4.38Å; N122-T125 PolarHBondContact N-OG1 3.41Å; N122-T125 PolarHBondContact O-N 2.68Å; N122-T125 PolarHBondContact O-OG1 3.38Å; L123-T125 VanDerWaalsContact C-N 3.33Å; L123-T125 PolarHBondContact O-N 3.21Å; T125-I127 VanDerWaalsContact C-N 3.33Å; T125-I127 PolarHBondContact O-N 3.15Å; T125-T128 VanDerWaalsContact CA-OG1 3.3Å; T125-T128 WeakPolarHBondContact CA-OG1 3.4Å; T125-T128 PolarHBondContact O-N 3.14Å; T125-T128 PolarHBondContact O-OG1 3.26Å; T125-F129 VanDerWaalsContact O-CD2 3.29Å; T125-F129 WeakPolarHBondContact O-CD2 3.26Å; T125-F129 WeakPolarHBondContact O-CG 3.34Å; T125-F129 PolarHBondContact O-N 3.22Å
126	A	96.4	Very high	95.4	Very high	0 Å²	0	65.4 Å²	65.4	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-58.1	-46.1	172.5	0	0	0	0	0	111.5	P111 M114 A120 N122 L123 T128 F129 I130	P111-A126 HydrophobicContact CB-CB 3.99Å; M114-A126 HydrophobicContact CB-CB 4.32Å; M114-A126 HydrophobicContact SD-CB 4.28Å; A120-A126 HydrophobicContact CB-CB 3.72Å; N122-A126 PolarHBondContact O-N 3.27Å; L123-A126 PolarHBondContact O-N 2.99Å; A126-T128 PolarHBondContact O-N 3.2Å; A126-F129 PolarHBondContact O-N 3.46Å; A126-I130 WeakPolarHBondContact O-CD1 3.33Å; A126-I130 VanDerWaalsContact O-CG1 3.27Å; A126-I130 WeakPolarHBondContact O-CG1 3.25Å; A126-I130 PolarHBondContact O-N 3.31Å
127	I	96.2	Very high	95.4	Very high	8 Å²	8	60.9 Å²	60.9	4%	0.041	29%	0.29	C	S	.	.	H	α-helix	trans	-61.3	-44.7	177.5	-70.5	168.5	0	0	0	111.1	H37 P111 L123 K124 T125 F129 I130 Q131 P145	H37-I127 HydrophobicContact CB-CD1 3.72Å; H37-I127 VanDerWaalsContact CD2-CD1 3.43Å; H37-I127 WeakPolarHBondContact CD2-CD1 3.29Å; H37-I127 WeakPolarHBondContact O-CD1 3.41Å; P111-I127 HydrophobicContact CB-CG1 3.8Å; P111-I127 HydrophobicContact CG-CD1 4.44Å; P111-I127 HydrophobicContact CG-CG1 3.62Å; L123-I127 VanDerWaalsContact O-CG1 3.3Å; L123-I127 WeakPolarHBondContact O-CG1 3.33Å; L123-I127 PolarHBondContact O-N 3.18Å; K124-I127 PolarHBondContact O-N 2.93Å; T125-I127 VanDerWaalsContact C-N 3.33Å; T125-I127 PolarHBondContact O-N 3.15Å; I127-F129 VanDerWaalsContact C-N 3.32Å; I127-F129 PolarHBondContact O-N 2.99Å; I127-I130 PolarHBondContact O-N 3.48Å; I127-Q131 HydrophobicContact CG2-CG 4.25Å; I127-Q131 WeakPolarHBondContact O-CB 3.17Å; I127-Q131 WeakPolarHBondContact O-CG 3.18Å; I127-Q131 PolarHBondContact O-N 3.02Å; I127-P145 HydrophobicContact CG1-CB 4.26Å; I127-P145 HydrophobicContact CG2-CB 4.41Å; I127-P145 HydrophobicContact CG2-CG 3.98Å
128	T	95.9	Very high	95.4	Very high	48 Å²	48	58.6 Å²	58.6	29%	0.294	28%	0.283	S	S	.	.	H	α-helix	trans	-62.6	-39.6	177.7	51.2	0	0	0	0	112.2	K124 T125 A126 Q131 Q132	K124-T128 WeakPolarHBondContact O-CG2 3.25Å; K124-T128 PolarHBondContact O-N 3.31Å; K124-T128 VanDerWaalsContact O-N 3.08Å; K124-T128 PolarHBondContact O-OG1 3.04Å; T125-T128 VanDerWaalsContact CA-OG1 3.3Å; T125-T128 WeakPolarHBondContact CA-OG1 3.4Å; T125-T128 PolarHBondContact O-N 3.14Å; T125-T128 PolarHBondContact O-OG1 3.26Å; A126-T128 PolarHBondContact O-N 3.2Å; T128-Q131 PolarHBondContact O-N 3.3Å; T128-Q132 WeakPolarHBondContact O-CB 3.3Å; T128-Q132 WeakPolarHBondContact O-CG 3.01Å; T128-Q132 PolarHBondContact O-N 3.41Å
129	F	96.2	Very high	95.3	Very high	49 Å²	49	52.8 Å²	52.8	22%	0.215	28%	0.275	C	S	.	.	H	α-helix	trans	-66.5	-38.3	178.1	-63.3	-26.6	0	0	0	112.6	M114 A120 T125 A126 I127 G133 H134 V135 W159 I165	M114-F129 HydrophobicContact CE-CB 4.5Å; M114-F129 HydrophobicContact CE-CD2 4.5Å; A120-F129 HydrophobicContact CB-CD2 4.38Å; A120-F129 HydrophobicContact CB-CE2 4.37Å; T125-F129 VanDerWaalsContact O-CD2 3.29Å; T125-F129 WeakPolarHBondContact O-CD2 3.26Å; T125-F129 WeakPolarHBondContact O-CG 3.34Å; T125-F129 PolarHBondContact O-N 3.22Å; A126-F129 PolarHBondContact O-N 3.46Å; I127-F129 VanDerWaalsContact C-N 3.32Å; I127-F129 PolarHBondContact O-N 2.99Å; F129-G133 PolarHBondContact O-N 2.98Å; F129-H134 PolarHBondContact O-N 2.96Å; F129-V135 HydrophobicContact CB-CG2 4.47Å; F129-W159 HydrophobicContact CB-CZ3 4.14Å; F129-W159 AromaticContact CD2-CH2 3.66Å; F129-W159 HydrophobicContact CD2-CH2 3.66Å; F129-W159 HydrophobicContact CD2-CZ3 4.11Å; F129-W159 HydrophobicContact CE2-CH2 4.12Å; F129-W159 HydrophobicContact CG-CH2 4.3Å; F129-W159 HydrophobicContact CG-CZ3 4.3Å; F129-I165 HydrophobicContact CB-CD1 4.26Å; F129-I165 HydrophobicContact CD1-CD1 3.35Å; F129-I165 HydrophobicContact CD2-CD1 4.1Å; F129-I165 HydrophobicContact CE1-CD1 3.53Å; F129-I165 HydrophobicContact CE2-CD1 4.24Å; F129-I165 HydrophobicContact CG-CD1 3.66Å; F129-I165 HydrophobicContact CZ-CD1 3.97Å
130	I	96.1	Very high	95.3	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-66.5	-49.3	175.1	-65.4	159.6	0	0	0	110	L110 P111 M114 A126 I127 Q132 G133 V135 T143 P145	L110-I130 HydrophobicContact CB-CD1 4.14Å; L110-I130 HydrophobicContact CD2-CD1 3.84Å; L110-I130 HydrophobicContact CD2-CG1 3.87Å; L110-I130 HydrophobicContact CD2-CG2 4.03Å; L110-I130 HydrophobicContact CG-CD1 3.72Å; L110-I130 HydrophobicContact CG-CG1 4.2Å; P111-I130 HydrophobicContact CB-CD1 4.08Å; P111-I130 HydrophobicContact CG-CD1 3.58Å; M114-I130 HydrophobicContact SD-CD1 3.58Å; M114-I130 VanDerWaalsContact SD-CD1 3.58Å; M114-I130 HydrophobicContact SD-CG1 3.58Å; M114-I130 VanDerWaalsContact SD-CG1 3.58Å; A126-I130 WeakPolarHBondContact O-CD1 3.33Å; A126-I130 VanDerWaalsContact O-CG1 3.27Å; A126-I130 WeakPolarHBondContact O-CG1 3.25Å; A126-I130 PolarHBondContact O-N 3.31Å; I127-I130 PolarHBondContact O-N 3.48Å; I130-Q132 PolarHBondContact O-N 3.44Å; I130-G133 WeakPolarHBondContact O-CA 3.16Å; I130-G133 PolarHBondContact O-N 2.89Å; I130-V135 HydrophobicContact CG1-CB 4.3Å; I130-V135 HydrophobicContact CG1-CG2 4.01Å; I130-T143 WeakPolarHBondContact O-CA 3.45Å; I130-P145 HydrophobicContact CG2-CG 4.23Å
131	Q	95.6	Very high	95.3	Very high	92 Å²	92	61.2 Å²	61.2	43%	0.43	32%	0.318	S	S	.	.	H	α-helix	trans	-61	-32.4	179.6	-74	173.5	-17.1	0	0	112.6	E39 I127 T128 G133 P145	E39-Q131 PolarHBondContact OE1-NE2 3.27Å; I127-Q131 HydrophobicContact CG2-CG 4.25Å; I127-Q131 WeakPolarHBondContact O-CB 3.17Å; I127-Q131 WeakPolarHBondContact O-CG 3.18Å; I127-Q131 PolarHBondContact O-N 3.02Å; T128-Q131 PolarHBondContact O-N 3.3Å; Q131-G133 VanDerWaalsContact C-N 3.26Å; Q131-G133 PolarHBondContact O-N 3.42Å; Q131-P145 HydrophobicContact CG-CG 3.88Å
132	Q	95.6	Very high	95.4	Very high	125 Å²	125	53.8 Å²	53.8	58%	0.584	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	-10	173.7	-72.7	169.8	-14	0	0	113.7	T128 I130 H134	T128-Q132 WeakPolarHBondContact O-CB 3.3Å; T128-Q132 WeakPolarHBondContact O-CG 3.01Å; T128-Q132 PolarHBondContact O-N 3.41Å; I130-Q132 PolarHBondContact O-N 3.44Å; Q132-H134 PolarHBondContact OE1-CD2 3.48Å
133	G	95.2	Very high	95.4	Very high	18 Å²	18	53.4 Å²	53.4	19%	0.186	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	80.1	25.5	178.9	0	0	0	0	0	114.4	F129 I130 Q131 V135	F129-G133 PolarHBondContact O-N 2.98Å; I130-G133 WeakPolarHBondContact O-CA 3.16Å; I130-G133 PolarHBondContact O-N 2.89Å; Q131-G133 VanDerWaalsContact C-N 3.26Å; Q131-G133 PolarHBondContact O-N 3.42Å; G133-V135 VanDerWaalsContact C-N 3.33Å
134	H	96.1	Very high	95.4	Very high	42 Å²	42	56.2 Å²	56.2	19%	0.194	30%	0.301	C	S	.	.			trans	-81.4	-11.5	178.7	-70.9	-52.9	0	0	0	114.1	F129 Q132 W159 V160 S163 I165	F129-H134 PolarHBondContact O-N 2.96Å; Q132-H134 PolarHBondContact OE1-CD2 3.48Å; H134-W159 HydrophobicContact CB-CE3 4.1Å; H134-W159 HydrophobicContact CB-CZ3 4.12Å; H134-W159 WeakPolarHBondContact O-CA 3.5Å; H134-V160 PolarHBondContact O-N 3.08Å; H134-S163 PolarHBondContact ND1-OG 2.75Å; H134-I165 HydrophobicContact CB-CD1 3.92Å
135	V	96.5	Very high	95.3	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	135.8	-172.1	-175.7	0	0	0	0	110	L110 M114 F129 I130 G133 V142 V157 W159	L110-V135 HydrophobicContact CD1-CG1 4.37Å; L110-V135 HydrophobicContact CD2-CG1 4.28Å; M114-V135 HydrophobicContact CE-CG2 3.45Å; M114-V135 VanDerWaalsContact CE-CG2 3.45Å; M114-V135 HydrophobicContact SD-CG1 4.2Å; M114-V135 HydrophobicContact SD-CG2 3.73Å; F129-V135 HydrophobicContact CB-CG2 4.47Å; I130-V135 HydrophobicContact CG1-CB 4.3Å; I130-V135 HydrophobicContact CG1-CG2 4.01Å; G133-V135 VanDerWaalsContact C-N 3.33Å; V135-V142 PolarHBondContact O-N 3.29Å; V135-V142 VanDerWaalsContact O-N 3.07Å; V135-V157 HydrophobicContact CG1-CG1 4.13Å; V135-W159 HydrophobicContact CG2-CE3 4.12Å; V135-W159 HydrophobicContact CG2-CZ3 3.84Å
136	R	95.4	Very high	95.3	Very high	58 Å²	58	49 Å²	49	22%	0.219	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	155.4	169.8	64.8	176.1	-176.3	-168	-9.6	110.9	G138 D140 T158 V160 D161	R136-G138 VanDerWaalsContact CD-O 3.27Å; R136-G138 WeakPolarHBondContact CD-O 3.35Å; R136-D140 VanDerWaalsContact CA-O 3.25Å; R136-D140 WeakPolarHBondContact CA-O 3.44Å; R136-D140 VanDerWaalsContact CB-O 3.25Å; R136-D140 WeakPolarHBondContact CB-O 3.43Å; R136-T158 PolarHBondContact N-O 2.95Å; R136-T158 PolarHBondContact NE-OG1 3.21Å; R136-T158 PolarHBondContact O-N 3.08Å; R136-T158 VanDerWaalsContact O-O 3.12Å; R136-V160 HydrophobicContact CB-CG2 4.06Å; R136-V160 HydrophobicContact CG-CG2 4.37Å; R136-D161 IonicContact CZ-OD1 2.94Å; R136-D161 IonicContact CZ-OD2 2.87Å; R136-D161 IonicContact NH1-OD2 3.3Å; R136-D161 PolarHBondContact NH1-OD2 2.96Å; R136-D161 VanDerWaalsContact NH2-CG 3.26Å; R136-D161 IonicContact NH2-OD1 2.68Å; R136-D161 PolarHBondContact NH2-OD1 3.05Å; R136-D161 IonicContact NH2-OD2 3.76Å; R136-D161 PolarHBondContact NH2-OD2 3.23Å
137	V	95.4	Very high	95.2	Very high	14 Å²	14	52.4 Å²	52.4	9%	0.085	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	105.7	171.6	-175.7	0	0	0	0	107.1	L110 D140 V142 F147 M153 V157	L110-V137 HydrophobicContact CD1-CG2 3.93Å; V137-D140 PolarHBondContact N-O 3.45Å; V137-V142 HydrophobicContact CB-CG2 4.11Å; V137-V142 HydrophobicContact CG2-CG2 3.8Å; V137-F147 HydrophobicContact CB-CE1 4.25Å; V137-F147 HydrophobicContact CG1-CE1 4.2Å; V137-F147 HydrophobicContact CG2-CD1 4.32Å; V137-F147 HydrophobicContact CG2-CE1 3.96Å; V137-M153 HydrophobicContact CG1-CB 4.03Å; V137-V157 HydrophobicContact CG1-CG2 4.37Å; V137-V157 HydrophobicContact CG2-CG2 4.17Å
138	G	93.6	Very high	95.1	Very high	23 Å²	23	54.1 Å²	54.1	24%	0.237	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	66.3	-131.7	-166.6	0	0	0	0	0	110.6	R136 F156	R136-G138 VanDerWaalsContact CD-O 3.27Å; R136-G138 WeakPolarHBondContact CD-O 3.35Å; G138-F156 PolarHBondContact N-O 3.43Å
139	P	92.6	Very high	95.2	Very high	108 Å²	108	51.8 Å²	51.8	70%	0.701	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-24.3	179.9	31.8	-33.6	0	0	0	113.3
140	D	93.9	Very high	95.1	Very high	115 Å²	115	51.3 Å²	51.3	62%	0.615	28%	0.282	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.4	132.8	-167.4	-61.6	-39.4	0	0	0	112.2	R136 V137	R136-D140 VanDerWaalsContact CA-O 3.25Å; R136-D140 WeakPolarHBondContact CA-O 3.44Å; R136-D140 VanDerWaalsContact CB-O 3.25Å; R136-D140 WeakPolarHBondContact CB-O 3.43Å; V137-D140 PolarHBondContact N-O 3.45Å
141	I	95.2	Very high	95	Very high	102 Å²	102	54.8 Å²	54.8	52%	0.523	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	128.5	174.7	-57.3	171	0	0	0	108.8	V160	I141-V160 HydrophobicContact CD1-CG1 4.38Å; I141-V160 HydrophobicContact CD1-CG2 4.36Å; I141-V160 HydrophobicContact CG1-CG2 3.92Å; I141-V160 HydrophobicContact CG2-CG2 4.27Å
142	V	95.9	Very high	94.9	Very high	15 Å²	15	56 Å²	56	9%	0.091	31%	0.305	C	S	.	.			trans	-110.1	119.6	-178.8	-178.5	0	0	0	0	109.7	L110 V135 V137 F147	L110-V142 HydrophobicContact CD2-CB 3.98Å; L110-V142 HydrophobicContact CD2-CG1 3.67Å; V135-V142 PolarHBondContact O-N 3.29Å; V135-V142 VanDerWaalsContact O-N 3.07Å; V137-V142 HydrophobicContact CB-CG2 4.11Å; V137-V142 HydrophobicContact CG2-CG2 3.8Å; V142-F147 HydrophobicContact CG1-CB 3.61Å; V142-F147 HydrophobicContact CG1-CD1 4.18Å; V142-F147 HydrophobicContact CG1-CD2 4.33Å; V142-F147 HydrophobicContact CG1-CG 3.79Å; V142-F147 HydrophobicContact CG2-CD1 4.44Å
143	T	95.8	Very high	94.9	Very high	88 Å²	88	54.1 Å²	54.1	54%	0.54	30%	0.297	S	S	.	.			trans	-103.7	-16.1	178.8	54	0	0	0	0	113.6	I130 P145	I130-T143 WeakPolarHBondContact O-CA 3.45Å; T143-P145 WeakPolarHBondContact O-CD 3.37Å
144	D	94.6	Very high	94.8	Very high	88 Å²	88	55.1 Å²	55.1	47%	0.471	30%	0.297	S	S	.	.			trans	-90.5	116.5	-179.8	-176	7.8	0	0	0	112	A146 F147	D144-A146 PolarHBondContact O-N 3.35Å; D144-A146 VanDerWaalsContact OD1-CB 3.32Å; D144-A146 WeakPolarHBondContact OD1-CB 3.25Å; D144-A146 PolarHBondContact OD1-N 3.45Å; D144-F147 VanDerWaalsContact O-CB 3.3Å; D144-F147 WeakPolarHBondContact O-CB 3.32Å; D144-F147 PolarHBondContact O-N 3.01Å; D144-F147 VanDerWaalsContact O-N 3.1Å
145	P	94	Very high	94.6	Very high	16 Å²	16	59.6 Å²	59.6	10%	0.104	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-14.5	174.3	-19	32.7	0	0	0	114.2	R109 P111 I127 I130 Q131 T143 F147	R109-P145 PolarHBondContact NE-O 3.25Å; P111-P145 WeakPolarHBondContact CD-O 3.3Å; P111-P145 HydrophobicContact CG-CB 3.86Å; I127-P145 HydrophobicContact CG1-CB 4.26Å; I127-P145 HydrophobicContact CG2-CB 4.41Å; I127-P145 HydrophobicContact CG2-CG 3.98Å; I130-P145 HydrophobicContact CG2-CG 4.23Å; Q131-P145 HydrophobicContact CG-CG 3.88Å; T143-P145 WeakPolarHBondContact O-CD 3.37Å; P145-F147 VanDerWaalsContact C-N 3.26Å
146	A	94.6	Very high	94.6	Very high	21 Å²	21	65.6 Å²	65.6	17%	0.174	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-5	174	0	0	0	0	0	113.9	R109 D144 L148	R109-A146 VanDerWaalsContact NH2-CB 3.25Å; D144-A146 PolarHBondContact O-N 3.35Å; D144-A146 VanDerWaalsContact OD1-CB 3.32Å; D144-A146 WeakPolarHBondContact OD1-CB 3.25Å; D144-A146 PolarHBondContact OD1-N 3.45Å; A146-L148 PolarHBondContact O-N 2.94Å
147	F	95.2	Very high	94.6	Very high	70 Å²	70	63.2 Å²	63.2	31%	0.307	34%	0.341	S	S	.	.			trans	-57.3	126.7	175.9	-174.1	-101.5	0	0	0	111.4	R109 L110 V137 V142 D144 P145 V149	R109-F147 WeakPolarHBondContact CA-O 3.4Å; L110-F147 HydrophobicContact CB-CB 4.43Å; L110-F147 PolarHBondContact N-O 3.45Å; V137-F147 HydrophobicContact CB-CE1 4.25Å; V137-F147 HydrophobicContact CG1-CE1 4.2Å; V137-F147 HydrophobicContact CG2-CD1 4.32Å; V137-F147 HydrophobicContact CG2-CE1 3.96Å; V142-F147 HydrophobicContact CG1-CB 3.61Å; V142-F147 HydrophobicContact CG1-CD1 4.18Å; V142-F147 HydrophobicContact CG1-CD2 4.33Å; V142-F147 HydrophobicContact CG1-CG 3.79Å; V142-F147 HydrophobicContact CG2-CD1 4.44Å; D144-F147 VanDerWaalsContact O-CB 3.3Å; D144-F147 WeakPolarHBondContact O-CB 3.32Å; D144-F147 PolarHBondContact O-N 3.01Å; D144-F147 VanDerWaalsContact O-N 3.1Å; P145-F147 VanDerWaalsContact C-N 3.26Å; F147-V149 HydrophobicContact CD1-CG2 3.89Å; F147-V149 HydrophobicContact CE1-CG2 4.06Å
148	L	94.8	Very high	94.6	Very high	44 Å²	44	65.3 Å²	65.3	23%	0.23	35%	0.353	C	S	.	.	B	Isolated β-bridge	trans	-98.5	115	-177.4	-162.9	157.3	0	0	0	109.4	I85 F105 R108 A146	I85-L148 HydrophobicContact CG2-CD2 3.69Å; F105-L148 HydrophobicContact CD1-CD1 3.77Å; R108-L148 HydrophobicContact CB-CD1 4.46Å; R108-L148 HydrophobicContact CB-CD2 3.77Å; R108-L148 HydrophobicContact CB-CG 3.87Å; A146-L148 PolarHBondContact O-N 2.94Å
149	V	96.1	Very high	94.7	Very high	0 Å²	0	66 Å²	66	0%	0	35%	0.349	C	S	.	.			trans	-87.2	121.6	-176.5	-174.5	0	0	0	0	109.2	R108 L110 I113 F147 M153 E154 V157	R108-V149 VanDerWaalsContact CZ-O 3.29Å; R108-V149 PolarHBondContact NE-O 2.98Å; R108-V149 PolarHBondContact NH2-O 3.33Å; R108-V149 PolarHBondContact O-N 3.44Å; L110-V149 HydrophobicContact CB-CG2 4.01Å; L110-V149 HydrophobicContact CD1-CG2 3.58Å; L110-V149 HydrophobicContact CG-CG2 4.41Å; I113-V149 HydrophobicContact CG1-CB 4.21Å; I113-V149 HydrophobicContact CG1-CG2 4.5Å; F147-V149 HydrophobicContact CD1-CG2 3.89Å; F147-V149 HydrophobicContact CE1-CG2 4.06Å; V149-M153 HydrophobicContact CG1-CB 4.01Å; V149-E154 HydrophobicContact CG1-CB 4.26Å; V149-V157 HydrophobicContact CG1-CG2 3.91Å; V149-V157 HydrophobicContact CG2-CG2 4.47Å
150	T	95.5	Very high	94.8	Very high	38 Å²	38	61.5 Å²	61.5	23%	0.233	32%	0.32	C	S	.	.			trans	-73.7	164.9	173.1	66.7	0	0	0	0	110.8	R108 N152 M153 E154	R108-T150 PolarHBondContact NH2-O 2.93Å; R108-T150 VanDerWaalsContact NH2-O 3.09Å; T150-N152 VanDerWaalsContact C-N 3.3Å; T150-N152 PolarHBondContact O-N 3.4Å; T150-M153 HydrophobicContact CG2-SD 4.35Å; T150-M153 PolarHBondContact O-N 3.41Å; T150-M153 WeakPolarHBondContact OG1-CB 3.34Å; T150-M153 VanDerWaalsContact OG1-CG 3.28Å; T150-M153 WeakPolarHBondContact OG1-CG 3.46Å; T150-M153 PolarHBondContact OG1-N 2.82Å; T150-M153 PolarHBondContact OG1-SD 3.04Å; T150-E154 PolarHBondContact O-N 2.82Å
151	R	94.1	Very high	94.6	Very high	73 Å²	73	59.2 Å²	59.2	28%	0.275	31%	0.307	S	S	.	.	H	α-helix	trans	-59.2	-42.9	179.7	-71.4	-171.8	179.5	-90.4	-3.1	112.1	Y83 S84 I88 M153 E154	Y83-R151 WeakPolarHBondContact O-CD 3.01Å; Y83-R151 PolarHBondContact O-NE 3.03Å; S84-R151 PolarHBondContact O-N 3.44Å; I88-R151 PolarHBondContact O-NH2 3.31Å; R151-M153 VanDerWaalsContact C-N 3.27Å; R151-M153 PolarHBondContact O-N 3.26Å; R151-E154 VanDerWaalsContact O-CB 3.27Å; R151-E154 WeakPolarHBondContact O-CB 3.44Å; R151-E154 PolarHBondContact O-N 3.26Å
152	N	93.9	Very high	94.3	Very high	118 Å²	118	58.7 Å²	58.7	63%	0.631	31%	0.313	S	S	*	.	H	α-helix	trans	-69.7	-28.2	-178.1	-58.9	-2	0	0	0	112	T150 E154 F156	T150-N152 VanDerWaalsContact C-N 3.3Å; T150-N152 PolarHBondContact O-N 3.4Å; N152-E154 VanDerWaalsContact C-N 3.35Å; N152-F156 VanDerWaalsContact O-CD2 3.29Å; N152-F156 WeakPolarHBondContact O-CD2 3.32Å; N152-F156 VanDerWaalsContact O-CE2 3.27Å; N152-F156 WeakPolarHBondContact O-CE2 3.33Å
153	M	93.8	Very high	94	Very high	86 Å²	86	58.1 Å²	58.1	42%	0.424	31%	0.309	S	S	.	.	H	α-helix	trans	-82.1	-14.8	178.4	-72.9	172.2	169.6	0	0	113.2	V137 V149 T150 R151 D155 F156	V137-M153 HydrophobicContact CG1-CB 4.03Å; V149-M153 HydrophobicContact CG1-CB 4.01Å; T150-M153 HydrophobicContact CG2-SD 4.35Å; T150-M153 PolarHBondContact O-N 3.41Å; T150-M153 WeakPolarHBondContact OG1-CB 3.34Å; T150-M153 VanDerWaalsContact OG1-CG 3.28Å; T150-M153 WeakPolarHBondContact OG1-CG 3.46Å; T150-M153 PolarHBondContact OG1-N 2.82Å; T150-M153 PolarHBondContact OG1-SD 3.04Å; R151-M153 VanDerWaalsContact C-N 3.27Å; R151-M153 PolarHBondContact O-N 3.26Å; M153-D155 VanDerWaalsContact C-N 3.31Å; M153-D155 PolarHBondContact O-N 2.79Å; M153-F156 PolarHBondContact O-N 2.88Å; M153-F156 VanDerWaalsContact O-N 3.15Å
154	E	93.1	Very high	93.8	Very high	39 Å²	39	61.7 Å²	61.7	18%	0.182	32%	0.317	C	S	.	.	H	α-helix	trans	-61.6	-38.7	-175.8	-171.3	163.5	174.2	0	0	112.3	R108 I113 V149 T150 R151 N152 F156 V157	R108-E154 IonicContact CZ-OE2 3.67Å; R108-E154 VanDerWaalsContact CZ-OE2 3.26Å; R108-E154 IonicContact NH1-OE2 2.8Å; R108-E154 PolarHBondContact NH1-OE2 3.29Å; R108-E154 IonicContact NH2-OE2 3.03Å; R108-E154 PolarHBondContact NH2-OE2 2.74Å; I113-E154 HydrophobicContact CG2-CG 3.83Å; V149-E154 HydrophobicContact CG1-CB 4.26Å; T150-E154 PolarHBondContact O-N 2.82Å; R151-E154 VanDerWaalsContact O-CB 3.27Å; R151-E154 WeakPolarHBondContact O-CB 3.44Å; R151-E154 PolarHBondContact O-N 3.26Å; N152-E154 VanDerWaalsContact C-N 3.35Å; E154-F156 PolarHBondContact O-N 2.88Å; E154-V157 WeakPolarHBondContact O-CB 3.33Å; E154-V157 WeakPolarHBondContact O-CG2 3.42Å; E154-V157 PolarHBondContact O-N 3.4Å
155	D	93.4	Very high	93.8	Very high	136 Å²	136	59 Å²	59	73%	0.727	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-19.8	179.4	-60.8	-26.7	0	0	0	112.9	M153	M153-D155 VanDerWaalsContact C-N 3.31Å; M153-D155 PolarHBondContact O-N 2.79Å
156	F	95.1	Very high	93.7	Very high	125 Å²	125	61.3 Å²	61.3	55%	0.548	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.8	4.6	-179.5	-55.9	-70.3	0	0	0	113.1	G138 N152 M153 E154 T158	G138-F156 PolarHBondContact N-O 3.43Å; N152-F156 VanDerWaalsContact O-CD2 3.29Å; N152-F156 WeakPolarHBondContact O-CD2 3.32Å; N152-F156 VanDerWaalsContact O-CE2 3.27Å; N152-F156 WeakPolarHBondContact O-CE2 3.33Å; M153-F156 PolarHBondContact O-N 2.88Å; M153-F156 VanDerWaalsContact O-N 3.15Å; E154-F156 PolarHBondContact O-N 2.88Å; F156-T158 PolarHBondContact O-N 3.48Å
157	V	96.2	Very high	93.5	Very high	9 Å²	9	62.7 Å²	62.7	6%	0.055	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	108	174.4	-177.1	0	0	0	0	108.6	L110 I113 M114 L117 M119 V135 V137 V149 E154	L110-V157 HydrophobicContact CD1-CG1 3.87Å; L110-V157 HydrophobicContact CD1-CG2 4.25Å; I113-V157 HydrophobicContact CG2-CG2 4.46Å; M114-V157 HydrophobicContact CG-CG1 4.4Å; L117-V157 HydrophobicContact CD1-CB 3.97Å; L117-V157 HydrophobicContact CD1-CG1 4.27Å; M119-V157 HydrophobicContact SD-CG1 3.95Å; V135-V157 HydrophobicContact CG1-CG1 4.13Å; V137-V157 HydrophobicContact CG1-CG2 4.37Å; V137-V157 HydrophobicContact CG2-CG2 4.17Å; V149-V157 HydrophobicContact CG1-CG2 3.91Å; V149-V157 HydrophobicContact CG2-CG2 4.47Å; E154-V157 WeakPolarHBondContact O-CB 3.33Å; E154-V157 WeakPolarHBondContact O-CG2 3.42Å; E154-V157 PolarHBondContact O-N 3.4Å
158	T	95.6	Very high	93.4	Very high	57 Å²	57	65.7 Å²	65.7	35%	0.35	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	167.7	-176.8	57.9	0	0	0	0	111.6	R136 F156	R136-T158 PolarHBondContact N-O 2.95Å; R136-T158 PolarHBondContact NE-OG1 3.21Å; R136-T158 PolarHBondContact O-N 3.08Å; R136-T158 VanDerWaalsContact O-O 3.12Å; F156-T158 PolarHBondContact O-N 3.48Å
159	W	95.4	Very high	93.3	Very high	37 Å²	37	66.7 Å²	66.7	14%	0.14	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	147.4	169.5	-58.9	112	0	0	0	110.5	M114 M119 F129 H134 V135 I165 K166	M114-W159 HydrophobicContact CE-CH2 3.9Å; M114-W159 HydrophobicContact CE-CZ3 4.12Å; M119-W159 HydrophobicContact CB-CH2 4.48Å; M119-W159 HydrophobicContact CB-CZ2 3.93Å; M119-W159 HydrophobicContact CE-CD2 3.64Å; M119-W159 VanDerWaalsContact CE-CE2 3.47Å; M119-W159 HydrophobicContact CE-CE3 4.13Å; M119-W159 HydrophobicContact CE-CG 3.99Å; M119-W159 HydrophobicContact CE-CH2 4.32Å; M119-W159 HydrophobicContact CE-CZ2 3.85Å; M119-W159 HydrophobicContact CE-CZ3 4.45Å; M119-W159 WeakPolarHBondContact O-CZ2 3.37Å; F129-W159 HydrophobicContact CB-CZ3 4.14Å; F129-W159 AromaticContact CD2-CH2 3.66Å; F129-W159 HydrophobicContact CD2-CH2 3.66Å; F129-W159 HydrophobicContact CD2-CZ3 4.11Å; F129-W159 HydrophobicContact CE2-CH2 4.12Å; F129-W159 HydrophobicContact CG-CH2 4.3Å; F129-W159 HydrophobicContact CG-CZ3 4.3Å; H134-W159 HydrophobicContact CB-CE3 4.1Å; H134-W159 HydrophobicContact CB-CZ3 4.12Å; H134-W159 WeakPolarHBondContact O-CA 3.5Å; V135-W159 HydrophobicContact CG2-CE3 4.12Å; V135-W159 HydrophobicContact CG2-CZ3 3.84Å; W159-I165 HydrophobicContact CD2-CB 4.5Å; W159-I165 HydrophobicContact CD2-CG2 4.14Å; W159-I165 HydrophobicContact CE3-CB 4.29Å; W159-I165 HydrophobicContact CE3-CD1 4.37Å; W159-I165 HydrophobicContact CE3-CG2 4.2Å; W159-I165 HydrophobicContact CH2-CD1 4.11Å; W159-I165 HydrophobicContact CH2-CG2 3.78Å; W159-I165 HydrophobicContact CZ2-CG2 3.68Å; W159-I165 HydrophobicContact CZ3-CB 4.33Å; W159-I165 HydrophobicContact CZ3-CD1 3.74Å; W159-I165 HydrophobicContact CZ3-CG2 4.03Å; W159-K166 HydrophobicContact CB-CB 3.87Å; W159-K166 HydrophobicContact CB-CD 4.4Å; W159-K166 HydrophobicContact CB-CG 4.23Å; W159-K166 HydrophobicContact CG-CB 4.33Å
160	V	94.4	Very high	93.2	Very high	15 Å²	15	69 Å²	69	9%	0.091	35%	0.349	C	S	.	.			trans	-62.4	143.1	166.3	179.7	0	0	0	0	109.1	H134 R136 I141 S162 S163	H134-V160 PolarHBondContact O-N 3.08Å; R136-V160 HydrophobicContact CB-CG2 4.06Å; R136-V160 HydrophobicContact CG-CG2 4.37Å; I141-V160 HydrophobicContact CD1-CG1 4.38Å; I141-V160 HydrophobicContact CD1-CG2 4.36Å; I141-V160 HydrophobicContact CG1-CG2 3.92Å; I141-V160 HydrophobicContact CG2-CG2 4.27Å; V160-S162 VanDerWaalsContact C-N 3.33Å; V160-S162 PolarHBondContact O-N 3Å; V160-S163 WeakPolarHBondContact O-CB 3.38Å; V160-S163 PolarHBondContact O-N 2.91Å
161	D	89.4	Confident	93.1	Very high	66 Å²	66	70.3 Å²	70.3	35%	0.353	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-38.1	-173.7	-63.4	-43	0	0	0	112.8	R136 S163 K166	R136-D161 IonicContact CZ-OD1 2.94Å; R136-D161 IonicContact CZ-OD2 2.87Å; R136-D161 IonicContact NH1-OD2 3.3Å; R136-D161 PolarHBondContact NH1-OD2 2.96Å; R136-D161 VanDerWaalsContact NH2-CG 3.26Å; R136-D161 IonicContact NH2-OD1 2.68Å; R136-D161 PolarHBondContact NH2-OD1 3.05Å; R136-D161 IonicContact NH2-OD2 3.76Å; R136-D161 PolarHBondContact NH2-OD2 3.23Å; D161-S163 PolarHBondContact O-N 3.18Å; D161-K166 IonicContact OD1-NZ 2.74Å; D161-K166 PolarHBondContact OD1-NZ 3.27Å
162	S	88.7	Confident	93.1	Very high	92 Å²	92	75.8 Å²	75.8	64%	0.643	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	4.3	174.3	60.7	0	0	0	0	114.5	V160 K164	V160-S162 VanDerWaalsContact C-N 3.33Å; V160-S162 PolarHBondContact O-N 3Å; S162-K164 PolarHBondContact O-N 3.4Å
163	S	91	Very high	93.1	Very high	2 Å²	2	73.9 Å²	73.9	1%	0.014	37%	0.366	C	S	.	.			trans	-70	127.8	-176.9	-177.7	0	0	0	0	111.9	H134 V160 D161 I165 K166 Q167	H134-S163 PolarHBondContact ND1-OG 2.75Å; V160-S163 WeakPolarHBondContact O-CB 3.38Å; V160-S163 PolarHBondContact O-N 2.91Å; D161-S163 PolarHBondContact O-N 3.18Å; S163-I165 PolarHBondContact O-N 3.23Å; S163-I165 PolarHBondContact OG-N 3.38Å; S163-K166 WeakPolarHBondContact O-CB 3.47Å; S163-K166 PolarHBondContact O-N 3.35Å; S163-Q167 PolarHBondContact O-N 3.38Å; S163-Q167 VanDerWaalsContact O-N 3.08Å
164	K	91.8	Very high	93	Very high	163 Å²	163	77.1 Å²	77.1	71%	0.709	39%	0.385	S	S	*	.	H	α-helix	trans	-58.3	-28.2	171	-68.7	-175.8	178.4	-179.4	0	112.8	S162 H168	S162-K164 PolarHBondContact O-N 3.4Å; K164-H168 WeakPolarHBondContact O-CB 3.29Å; K164-H168 PolarHBondContact O-N 2.9Å
165	I	93	Very high	93	Very high	31 Å²	31	81.3 Å²	81.3	16%	0.159	40%	0.404	C	S	.	.	H	α-helix	trans	-68.7	-43.5	176.6	-57.9	174.3	0	0	0	110	F129 H134 W159 S163 H168 V169	F129-I165 HydrophobicContact CB-CD1 4.26Å; F129-I165 HydrophobicContact CD1-CD1 3.35Å; F129-I165 HydrophobicContact CD2-CD1 4.1Å; F129-I165 HydrophobicContact CE1-CD1 3.53Å; F129-I165 HydrophobicContact CE2-CD1 4.24Å; F129-I165 HydrophobicContact CG-CD1 3.66Å; F129-I165 HydrophobicContact CZ-CD1 3.97Å; H134-I165 HydrophobicContact CB-CD1 3.92Å; W159-I165 HydrophobicContact CD2-CB 4.5Å; W159-I165 HydrophobicContact CD2-CG2 4.14Å; W159-I165 HydrophobicContact CE3-CB 4.29Å; W159-I165 HydrophobicContact CE3-CD1 4.37Å; W159-I165 HydrophobicContact CE3-CG2 4.2Å; W159-I165 HydrophobicContact CH2-CD1 4.11Å; W159-I165 HydrophobicContact CH2-CG2 3.78Å; W159-I165 HydrophobicContact CZ2-CG2 3.68Å; W159-I165 HydrophobicContact CZ3-CB 4.33Å; W159-I165 HydrophobicContact CZ3-CD1 3.74Å; W159-I165 HydrophobicContact CZ3-CG2 4.03Å; S163-I165 PolarHBondContact O-N 3.23Å; S163-I165 PolarHBondContact OG-N 3.38Å; I165-H168 PolarHBondContact O-N 3.05Å; I165-V169 WeakPolarHBondContact O-CG2 3.3Å; I165-V169 PolarHBondContact O-N 2.91Å
166	K	92.4	Very high	92.6	Very high	65 Å²	65	79.9 Å²	79.9	28%	0.283	39%	0.389	S	S	.	.	H	α-helix	trans	-60.5	-47.4	175.6	-169.7	-174.1	179.7	-167.1	0	110.4	W159 D161 S163 H168 V169 L170	W159-K166 HydrophobicContact CB-CB 3.87Å; W159-K166 HydrophobicContact CB-CD 4.4Å; W159-K166 HydrophobicContact CB-CG 4.23Å; W159-K166 HydrophobicContact CG-CB 4.33Å; D161-K166 IonicContact OD1-NZ 2.74Å; D161-K166 PolarHBondContact OD1-NZ 3.27Å; S163-K166 WeakPolarHBondContact O-CB 3.47Å; S163-K166 PolarHBondContact O-N 3.35Å; K166-H168 VanDerWaalsContact C-N 3.32Å; K166-H168 PolarHBondContact O-N 3.33Å; K166-V169 PolarHBondContact O-N 3.47Å; K166-L170 HydrophobicContact CG-CD1 4.17Å; K166-L170 WeakPolarHBondContact O-CG 2.81Å; K166-L170 PolarHBondContact O-N 3.27Å
167	Q	91.8	Very high	92.1	Very high	50 Å²	50	78.6 Å²	78.6	23%	0.234	39%	0.387	C	S	.	.	H	α-helix	trans	-58	-43.8	175.5	-67.6	176.3	-5.3	0	0	111.9	S163 V169 L170 N171 L181	S163-Q167 PolarHBondContact O-N 3.38Å; S163-Q167 VanDerWaalsContact O-N 3.08Å; Q167-V169 PolarHBondContact O-N 3.48Å; Q167-L170 PolarHBondContact O-N 3.22Å; Q167-N171 WeakPolarHBondContact O-CB 3.41Å; Q167-N171 PolarHBondContact O-N 3.19Å; Q167-N171 PolarHBondContact O-ND2 3.42Å; Q167-L181 HydrophobicContact CG-CD1 4.5Å; Q167-L181 HydrophobicContact CG-CD2 4.27Å
168	H	93.1	Very high	91.5	Very high	134 Å²	134	82.5 Å²	82.5	62%	0.62	41%	0.408	S	S	*	.	H	α-helix	trans	-62.6	-41.5	178.4	-174.8	64.2	0	0	0	112.5	K164 I165 K166 Y172	K164-H168 WeakPolarHBondContact O-CB 3.29Å; K164-H168 PolarHBondContact O-N 2.9Å; I165-H168 PolarHBondContact O-N 3.05Å; K166-H168 VanDerWaalsContact C-N 3.32Å; K166-H168 PolarHBondContact O-N 3.33Å; H168-Y172 WeakPolarHBondContact O-CB 3.44Å; H168-Y172 PolarHBondContact O-N 3.25Å
169	V	92.5	Very high	90.9	Very high	64 Å²	64	87.4 Å²	87.4	39%	0.388	43%	0.425	S	S	.	.	H	α-helix	trans	-65.7	-45	176.4	174.1	0	0	0	0	111.3	I165 K166 Q167 Y172 N173	I165-V169 WeakPolarHBondContact O-CG2 3.3Å; I165-V169 PolarHBondContact O-N 2.91Å; K166-V169 PolarHBondContact O-N 3.47Å; Q167-V169 PolarHBondContact O-N 3.48Å; V169-Y172 WeakPolarHBondContact O-CB 3.48Å; V169-Y172 PolarHBondContact O-N 2.95Å; V169-N173 PolarHBondContact O-N 3.45Å
170	L	92.4	Very high	89.7	Confident	50 Å²	50	91.1 Å²	91.1	26%	0.262	45%	0.448	S	S	.	.	H	α-helix	trans	-64	-41.2	177.5	-70.3	170.7	0	0	0	112.3	K166 Q167 Y172 N173 D174 E175 R176	K166-L170 HydrophobicContact CG-CD1 4.17Å; K166-L170 WeakPolarHBondContact O-CG 2.81Å; K166-L170 PolarHBondContact O-N 3.27Å; Q167-L170 PolarHBondContact O-N 3.22Å; L170-Y172 VanDerWaalsContact C-N 3.31Å; L170-Y172 PolarHBondContact O-N 3.09Å; L170-N173 CarbonylContact O-C 3.6Å; L170-N173 PolarHBondContact O-N 3.26Å; L170-D174 PolarHBondContact O-N 3.26Å; L170-D174 VanDerWaalsContact O-N 3.09Å; L170-E175 HydrophobicContact CD2-CB 4.07Å; L170-E175 PolarHBondContact O-N 3.47Å; L170-R176 HydrophobicContact CB-CB 4.18Å
171	N	93.5	Very high	88.1	Confident	65 Å²	65	93.6 Å²	93.6	35%	0.348	46%	0.46	S	S	.	.	H	α-helix	trans	-60.1	-41.7	173.2	-76.8	-47.9	0	0	0	111.5	Q167 N173 D174 R176	Q167-N171 WeakPolarHBondContact O-CB 3.41Å; Q167-N171 PolarHBondContact O-N 3.19Å; Q167-N171 PolarHBondContact O-ND2 3.42Å; N171-N173 VanDerWaalsContact C-N 3.27Å; N171-N173 PolarHBondContact O-N 3.07Å; N171-D174 PolarHBondContact O-N 3.05Å; N171-R176 PolarHBondContact ND2-NH1 3.05Å; N171-R176 WeakPolarHBondContact OD1-CD 3.49Å; N171-R176 PolarHBondContact OD1-NH1 3.24Å
172	Y	94.3	Very high	86.5	Confident	188 Å²	188	97.6 Å²	97.6	74%	0.737	48%	0.48	S	S	*	.	H	α-helix	trans	-66.3	-31.9	179.2	178	-95.7	0	0	0	112.4	H168 V169 L170 D174	H168-Y172 WeakPolarHBondContact O-CB 3.44Å; H168-Y172 PolarHBondContact O-N 3.25Å; V169-Y172 WeakPolarHBondContact O-CB 3.48Å; V169-Y172 PolarHBondContact O-N 2.95Å; L170-Y172 VanDerWaalsContact C-N 3.31Å; L170-Y172 PolarHBondContact O-N 3.09Å; Y172-D174 VanDerWaalsContact C-N 3.35Å
173	N	94.1	Very high	84.6	Confident	77 Å²	77	100.8 Å²	100.8	41%	0.412	51%	0.512	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86	-2.7	176.8	-69.1	-5.3	0	0	0	113.8	V169 L170 N171 E175	V169-N173 PolarHBondContact O-N 3.45Å; L170-N173 CarbonylContact O-C 3.6Å; L170-N173 PolarHBondContact O-N 3.26Å; N171-N173 VanDerWaalsContact C-N 3.27Å; N171-N173 PolarHBondContact O-N 3.07Å; N173-E175 HydrophobicContact CB-CB 4.25Å; N173-E175 HydrophobicContact CB-CG 3.95Å; N173-E175 PolarHBondContact ND2-OE2 3.37Å; N173-E175 PolarHBondContact O-N 3Å
174	D	92.9	Very high	84.3	Confident	154 Å²	154	105.8 Å²	105.8	82%	0.824	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.1	26.7	-170.2	-58.7	-47.7	0	0	0	114.2	L170 N171 Y172	L170-D174 PolarHBondContact O-N 3.26Å; L170-D174 VanDerWaalsContact O-N 3.09Å; N171-D174 PolarHBondContact O-N 3.05Å; Y172-D174 VanDerWaalsContact C-N 3.35Å
175	E	91.4	Very high	83.9	Confident	128 Å²	128	102.7 Å²	102.7	60%	0.598	53%	0.528	S	S	*	.			trans	-104.6	11.5	-177.7	-70.2	176	153.5	0	0	112.7	L170 N173 D177	L170-E175 HydrophobicContact CD2-CB 4.07Å; L170-E175 PolarHBondContact O-N 3.47Å; N173-E175 HydrophobicContact CB-CB 4.25Å; N173-E175 HydrophobicContact CB-CG 3.95Å; N173-E175 PolarHBondContact ND2-OE2 3.37Å; N173-E175 PolarHBondContact O-N 3Å; E175-D177 PolarHBondContact O-N 2.8Å
176	R	84.9	Confident	83.4	Confident	106 Å²	106	106.7 Å²	106.7	40%	0.4	55%	0.548	S	S	.	.			trans	-74.2	118.9	-175.8	179.6	176.2	171.4	-172.9	-6.8	111.2	L170 N171 D178	L170-R176 HydrophobicContact CB-CB 4.18Å; N171-R176 PolarHBondContact ND2-NH1 3.05Å; N171-R176 WeakPolarHBondContact OD1-CD 3.49Å; N171-R176 PolarHBondContact OD1-NH1 3.24Å; R176-D178 IonicContact CZ-OD1 3.16Å; R176-D178 IonicContact NE-OD1 2.74Å; R176-D178 PolarHBondContact NE-OD1 3.46Å; R176-D178 IonicContact NH2-OD1 2.79Å; R176-D178 PolarHBondContact NH2-OD1 2.81Å; R176-D178 IonicContact NH2-OD2 3.9Å
177	D	85.2	Confident	82.8	Confident	97 Å²	97	109.2 Å²	109.2	52%	0.519	56%	0.564	S	S	.	*			trans	-104.4	125.8	163.5	-164.9	-19.6	0	0	0	109.6	E175 F179	E175-D177 PolarHBondContact O-N 2.8Å; D177-F179 VanDerWaalsContact C-N 3.32Å; D177-F179 VanDerWaalsContact OD1-CB 3.29Å; D177-F179 WeakPolarHBondContact OD1-CB 3.46Å; D177-F179 PolarHBondContact OD1-N 2.71Å
178	D	83.1	Confident	82.3	Confident	91 Å²	91	112.9 Å²	112.9	49%	0.487	58%	0.584	S	S	.	*	S	Bend	trans	-82.7	-9.2	179.2	-78.8	-33.2	0	0	0	112.8	R176	R176-D178 IonicContact CZ-OD1 3.16Å; R176-D178 IonicContact NE-OD1 2.74Å; R176-D178 PolarHBondContact NE-OD1 3.46Å; R176-D178 IonicContact NH2-OD1 2.79Å; R176-D178 PolarHBondContact NH2-OD1 2.81Å; R176-D178 IonicContact NH2-OD2 3.9Å
179	F	82.8	Confident	81.5	Confident	160 Å²	160	111.5 Å²	111.5	70%	0.702	58%	0.582	S	S	*	*	G	3₁₀ helix	trans	-67.3	-41.8	179.3	-173.9	-99.1	0	0	0	112.8	D177 L181	D177-F179 VanDerWaalsContact C-N 3.32Å; D177-F179 VanDerWaalsContact OD1-CB 3.29Å; D177-F179 WeakPolarHBondContact OD1-CB 3.46Å; D177-F179 PolarHBondContact OD1-N 2.71Å; F179-L181 PolarHBondContact O-N 3.33Å
180	D	70.8	Confident	80.8	Confident	116 Å²	116	114.9 Å²	114.9	62%	0.62	60%	0.596	S	S	*	*	G	3₁₀ helix	trans	-72.1	-10	-174	-74.3	-16.7	0	0	0	114.4	I182	D180-I182 VanDerWaalsContact C-N 3.35Å
181	L	61.9	Low	79.9	Confident	67 Å²	67	119.8 Å²	119.8	35%	0.351	62%	0.622	S	S	.	*	G	3₁₀ helix	trans	-83.9	-7.4	-176.5	-70.7	172	0	0	0	114.2	Q167 F179	Q167-L181 HydrophobicContact CG-CD1 4.5Å; Q167-L181 HydrophobicContact CG-CD2 4.27Å; F179-L181 PolarHBondContact O-N 3.33Å
182	I	54.2	Low	78.7	Confident	150 Å²	150	124.4 Å²	124.4	77%	0.769	64%	0.644	S	S	*	*			trans	-97.4	-10.7	-172.3	-59.2	172.8	0	0	0	112.2	D180	D180-I182 VanDerWaalsContact C-N 3.35Å
183	A	49.1	Very low	77.3	Confident	159 Å²	159	118.6 Å²	118.6	100%	1.314	64%	0.636	S	S	*	*			trans	-88.4	0	-178.5	0	0	0	0	0	113.9

Retrieved 183 of 183 residues in 51.2 ms (Link to these results)

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