G4V774_SCHMA Loading...

Ubiquitin-conjugating enzyme E2 Z

AlphaFold DB , UniProt , Accession G4V774, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 282 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	36	Very low	40.9	Very low	246 Å²	246	121.4 Å²	121.4	100%	1.212	65%	0.649	S	S	*	*				0	83.6	0	-130.2	176.3	176.2	0	0	105.5	S3	M1-S3 PolarHBondContact O-N 3.42Å
2	E	33.8	Very low	42.4	Very low	193 Å²	193	120.2 Å²	120.2	90%	0.902	63%	0.634	S	S	*	*			trans	-71.6	124.8	171.8	-82.1	-179.8	152.8	0	0	107.2	V4	E2-V4 PolarHBondContact O-N 3.33Å; E2-V4 VanDerWaalsContact O-N 3.17Å
3	S	32.4	Very low	43.6	Very low	107 Å²	107	120.1 Å²	120.1	75%	0.748	63%	0.628	S	S	*	*			trans	-57.1	118.6	176.4	55.2	0	0	0	0	108.8	M1 K5	M1-S3 PolarHBondContact O-N 3.42Å; S3-K5 PolarHBondContact O-N 3.04Å
4	V	31.9	Very low	44.7	Very low	128 Å²	128	113.9 Å²	113.9	78%	0.776	59%	0.594	S	S	*	*			trans	-54	107.2	165.1	178.6	0	0	0	0	106.3	E2 E6	E2-V4 PolarHBondContact O-N 3.33Å; E2-V4 VanDerWaalsContact O-N 3.17Å; V4-E6 PolarHBondContact O-N 3.24Å; V4-E6 VanDerWaalsContact O-N 3.14Å
5	K	35.5	Very low	45.7	Very low	187 Å²	187	109.1 Å²	109.1	81%	0.813	57%	0.567	S	S	*	*			trans	-58.9	119.8	167	-78.5	-177.8	176.9	178.6	0	105.7	S3 I7	S3-K5 PolarHBondContact O-N 3.04Å; K5-I7 PolarHBondContact O-N 2.77Å; K5-I7 VanDerWaalsContact O-N 3.14Å
6	E	30.9	Very low	46.7	Very low	186 Å²	186	109.5 Å²	109.5	87%	0.869	57%	0.569	S	S	*	*			trans	-48.6	122.7	177.2	-71.3	-178.9	157.8	0	0	109.2	V4 G8	V4-E6 PolarHBondContact O-N 3.24Å; V4-E6 VanDerWaalsContact O-N 3.14Å; E6-G8 PolarHBondContact O-N 2.89Å
7	I	36.3	Very low	47.7	Very low	156 Å²	156	108.5 Å²	108.5	80%	0.8	57%	0.574	S	S	*	*			trans	-68.1	99.6	174.7	-60.3	167.8	0	0	0	105.2	K5	K5-I7 PolarHBondContact O-N 2.77Å; K5-I7 VanDerWaalsContact O-N 3.14Å
8	G	46.9	Very low	49.1	Very low	37 Å²	37	104.8 Å²	104.8	38%	0.381	55%	0.553	S	S	.	*	P	Polyproline II helix	trans	-54.7	153.9	168.3	0	0	0	0	0	110.1	E6 S10	E6-G8 PolarHBondContact O-N 2.89Å; G8-S10 PolarHBondContact O-N 2.97Å
9	P	51	Low	50.5	Low	54 Å²	54	103.1 Å²	103.1	35%	0.351	55%	0.55	S	S	.	*	P	Polyproline II helix	trans	-52.5	139.2	179.3	20.1	-30.2	0	0	0	110.3	Q13	P9-Q13 HydrophobicContact CB-CB 3.57Å
10	S	57.9	Low	51.7	Low	40 Å²	40	103 Å²	103	28%	0.28	55%	0.548	S	S	.	.	P	Polyproline II helix	trans	-51.8	158.7	172	63.9	0	0	0	0	110.1	G8 F12 Q13 H14	G8-S10 PolarHBondContact O-N 2.97Å; S10-F12 PolarHBondContact O-N 3.2Å; S10-Q13 PolarHBondContact O-N 2.64Å; S10-Q13 PolarHBondContact OG-N 3.34Å; S10-H14 PolarHBondContact O-N 3.1Å; S10-H14 VanDerWaalsContact O-N 3.17Å
11	S	57.2	Low	52.7	Low	1 Å²	1	99.6 Å²	99.6	1%	0.007	54%	0.535	C	S	.	.	H	α-helix	trans	-55.8	-33.3	-179.4	68.8	0	0	0	0	112.9	F15 R114 Y120 E163	S11-F15 VanDerWaalsContact O-CB 3.31Å; S11-F15 WeakPolarHBondContact O-CB 3.2Å; S11-F15 PolarHBondContact O-N 3.01Å; S11-R114 PolarHBondContact OG-NH2 2.95Å; S11-Y120 WeakPolarHBondContact CB-OH 3.37Å; S11-Y120 PolarHBondContact O-OH 3.13Å; S11-Y120 PolarHBondContact OG-OH 3.47Å; S11-E163 WeakPolarHBondContact CB-OE1 3.48Å; S11-E163 PolarHBondContact N-OE1 2.83Å; S11-E163 VanDerWaalsContact N-OE1 3.14Å; S11-E163 VanDerWaalsContact OG-CD 3.3Å; S11-E163 PolarHBondContact OG-OE1 2.91Å; S11-E163 PolarHBondContact OG-OE2 2.86Å; S11-E163 VanDerWaalsContact OG-OE2 3.1Å
12	F	59.3	Low	55	Low	107 Å²	107	90.8 Å²	90.8	47%	0.469	50%	0.498	S	S	.	.	H	α-helix	trans	-64.6	-37.6	173.1	-169.1	-101	0	0	0	114.8	S10 F15 L16 Y120	S10-F12 PolarHBondContact O-N 3.2Å; F12-F15 VanDerWaalsContact O-CB 3.3Å; F12-F15 WeakPolarHBondContact O-CB 3.43Å; F12-F15 PolarHBondContact O-N 3.2Å; F12-L16 HydrophobicContact CD1-CD1 4.35Å; F12-L16 HydrophobicContact CE1-CD1 3.91Å; F12-L16 HydrophobicContact CE1-CG 4.35Å; F12-L16 PolarHBondContact O-N 3.48Å; F12-L16 VanDerWaalsContact O-N 3.15Å; F12-Y120 PolarHBondContact N-OH 2.7Å
13	Q	57.7	Low	57.7	Low	119 Å²	119	82.1 Å²	82.1	56%	0.556	46%	0.457	S	S	*	.	H	α-helix	trans	-73.4	-39.9	177.9	-79.5	-179.9	-17.6	0	0	112.3	P9 S10 F15 L16	P9-Q13 HydrophobicContact CB-CB 3.57Å; S10-Q13 PolarHBondContact O-N 2.64Å; S10-Q13 PolarHBondContact OG-N 3.34Å; Q13-F15 PolarHBondContact O-N 3.2Å; Q13-L16 PolarHBondContact O-N 3.07Å
14	H	59.4	Low	60.7	Low	34 Å²	34	77.8 Å²	77.8	16%	0.157	43%	0.425	C	S	.	.	H	α-helix	trans	-66.3	-29.5	170.5	-174.9	-98	0	0	0	111.6	S10 S17 Q18 T132 W133	S10-H14 PolarHBondContact O-N 3.1Å; S10-H14 VanDerWaalsContact O-N 3.17Å; H14-S17 PolarHBondContact O-OG 3.31Å; H14-Q18 PolarHBondContact CE1-NE2 3.35Å; H14-T132 PolarHBondContact CE1-O 3.1Å; H14-T132 VanDerWaalsContact CE1-O 3.25Å; H14-T132 PolarHBondContact ND1-O 2.77Å; H14-W133 HydrophobicContact CB-CH2 4.46Å; H14-W133 HydrophobicContact CB-CZ3 3.87Å; H14-W133 AromaticContact ND1-CE3 3.97Å
15	F	58.9	Low	63.7	Low	41 Å²	41	71.7 Å²	71.7	18%	0.18	39%	0.388	C	S	.	.	H	α-helix	trans	-61.2	-48.3	172.8	166.4	-86.6	0	0	0	112.5	S11 F12 Q13 S17 Q18 Y120 N122 K124	S11-F15 VanDerWaalsContact O-CB 3.31Å; S11-F15 WeakPolarHBondContact O-CB 3.2Å; S11-F15 PolarHBondContact O-N 3.01Å; F12-F15 VanDerWaalsContact O-CB 3.3Å; F12-F15 WeakPolarHBondContact O-CB 3.43Å; F12-F15 PolarHBondContact O-N 3.2Å; Q13-F15 PolarHBondContact O-N 3.2Å; F15-S17 PolarHBondContact O-N 3.26Å; F15-Q18 PolarHBondContact O-N 2.88Å; F15-Y120 HydrophobicContact CB-CE1 3.82Å; F15-Y120 HydrophobicContact CD1-CE1 4.48Å; F15-Y120 AromaticContact CD2-CD1 3.5Å; F15-Y120 HydrophobicContact CD2-CD1 3.5Å; F15-Y120 VanDerWaalsContact CD2-CD1 3.5Å; F15-Y120 AromaticContact CD2-CE1 3.46Å; F15-Y120 HydrophobicContact CD2-CE1 3.46Å; F15-Y120 VanDerWaalsContact CD2-CE1 3.46Å; F15-Y120 HydrophobicContact CD2-CG 4.23Å; F15-Y120 AromaticContact CE2-CD1 3.71Å; F15-Y120 HydrophobicContact CE2-CD1 3.71Å; F15-Y120 HydrophobicContact CE2-CE1 4.14Å; F15-Y120 HydrophobicContact CE2-CG 4.36Å; F15-Y120 HydrophobicContact CG-CD1 4.12Å; F15-Y120 AromaticContact CG-CE1 3.68Å; F15-Y120 HydrophobicContact CG-CE1 3.68Å; F15-Y120 HydrophobicContact CZ-CD1 4.47Å; F15-N122 WeakPolarHBondContact CE2-ND2 3.45Å; F15-N122 WeakPolarHBondContact CZ-ND2 3.12Å; F15-K124 HydrophobicContact CD2-CD 3.57Å; F15-K124 HydrophobicContact CE2-CB 4.45Å; F15-K124 HydrophobicContact CE2-CD 3.91Å
16	L	61.5	Low	66.4	Low	116 Å²	116	68.3 Å²	68.3	61%	0.607	38%	0.375	S	S	*	.	H	α-helix	trans	-64.2	-22.2	-177.1	-71.2	176.3	0	0	0	114	F12 Q13	F12-L16 HydrophobicContact CD1-CD1 4.35Å; F12-L16 HydrophobicContact CE1-CD1 3.91Å; F12-L16 HydrophobicContact CE1-CG 4.35Å; F12-L16 PolarHBondContact O-N 3.48Å; F12-L16 VanDerWaalsContact O-N 3.15Å; Q13-L16 PolarHBondContact O-N 3.07Å
17	S	65	Low	69.1	Low	92 Å²	92	63.5 Å²	63.5	64%	0.643	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-15.3	179.7	70	0	0	0	0	113.7	H14 F15	H14-S17 PolarHBondContact O-OG 3.31Å; F15-S17 PolarHBondContact O-N 3.26Å
18	Q	71.5	Confident	70.9	Confident	42 Å²	42	62 Å²	62	20%	0.196	34%	0.337	C	S	.	.	S	Bend	trans	-101.8	130.9	-175.8	-64	-168.3	-9.2	0	0	112.5	H14 F15 G131	H14-Q18 PolarHBondContact CE1-NE2 3.35Å; F15-Q18 PolarHBondContact O-N 2.88Å; Q18-G131 PolarHBondContact NE2-O 2.93Å
19	S	77.3	Confident	71.5	Confident	72 Å²	72	63.6 Å²	63.6	50%	0.503	35%	0.347	S	S	.	.			trans	-69.6	148.4	174.5	74.2	0	0	0	0	112.1	A21 S22 W23	S19-A21 PolarHBondContact O-N 3.18Å; S19-S22 PolarHBondContact O-N 3.08Å; S19-S22 PolarHBondContact O-OG 3.32Å; S19-S22 PolarHBondContact OG-N 2.94Å; S19-W23 VanDerWaalsContact O-CD1 3.28Å
20	I	72.6	Confident	72.1	Confident	101 Å²	101	67.7 Å²	67.7	52%	0.518	37%	0.365	S	S	.	.	H	α-helix	trans	-53.3	-39	174	-65	174.1	0	0	0	111.4	S22 W23 D24	I20-S22 PolarHBondContact O-N 3.08Å; I20-S22 VanDerWaalsContact O-N 3.1Å; I20-W23 HydrophobicContact CG1-CZ2 4.28Å; I20-W23 HydrophobicContact CG2-CZ2 4.35Å; I20-W23 PolarHBondContact O-N 3.15Å; I20-D24 HydrophobicContact CG2-CB 3.79Å; I20-D24 WeakPolarHBondContact O-CB 3.28Å; I20-D24 PolarHBondContact O-N 3.42Å
21	A	74.5	Confident	72.5	Confident	32 Å²	32	72.7 Å²	72.7	26%	0.264	38%	0.384	S	S	.	.	H	α-helix	trans	-58.6	-24.2	179.4	0	0	0	0	0	114.1	S19 K102	S19-A21 PolarHBondContact O-N 3.18Å; A21-K102 PolarHBondContact O-NZ 2.69Å
22	S	82.9	Confident	73.6	Confident	61 Å²	61	76.9 Å²	76.9	43%	0.427	41%	0.41	S	S	.	.	H	α-helix	trans	-79.6	-26.1	-176.7	71	0	0	0	0	113.3	S19 I20 K102	S19-S22 PolarHBondContact O-N 3.08Å; S19-S22 PolarHBondContact O-OG 3.32Å; S19-S22 PolarHBondContact OG-N 2.94Å; I20-S22 PolarHBondContact O-N 3.08Å; I20-S22 VanDerWaalsContact O-N 3.1Å; S22-K102 WeakPolarHBondContact O-CE 3.43Å
23	W	91.8	Very high	74.7	Confident	11 Å²	11	77 Å²	77	4%	0.042	42%	0.421	C	S	.	.	H	α-helix	trans	-126.1	-24.2	-171.8	63.7	-96.6	0	0	0	114.4	S19 I20 P25 K102 N122 K124 T132	S19-W23 VanDerWaalsContact O-CD1 3.28Å; I20-W23 HydrophobicContact CG1-CZ2 4.28Å; I20-W23 HydrophobicContact CG2-CZ2 4.35Å; I20-W23 PolarHBondContact O-N 3.15Å; W23-P25 WeakPolarHBondContact O-CD 3.35Å; W23-K102 WeakPolarHBondContact O-CB 3.16Å; W23-N122 WeakPolarHBondContact CZ2-ND2 3.43Å; W23-K124 HydrophobicContact CD2-CB 3.95Å; W23-K124 HydrophobicContact CD2-CD 4.07Å; W23-K124 HydrophobicContact CD2-CG 3.62Å; W23-K124 HydrophobicContact CE3-CB 3.8Å; W23-K124 HydrophobicContact CE3-CG 3.81Å; W23-K124 HydrophobicContact CG-CD 4.15Å; W23-K124 HydrophobicContact CG-CG 3.98Å; W23-K124 HydrophobicContact CH2-CB 3.85Å; W23-K124 HydrophobicContact CZ2-CB 3.96Å; W23-K124 HydrophobicContact CZ2-CG 4.41Å; W23-K124 HydrophobicContact CZ3-CB 3.76Å; W23-K124 HydrophobicContact CZ3-CG 4.3Å; W23-T132 HydrophobicContact CB-CG2 3.81Å
24	D	95	Very high	76.2	Confident	16 Å²	16	72.6 Å²	72.6	9%	0.086	41%	0.405	C	S	.	.			trans	-77.2	116.4	-177.8	-166.1	-31	0	0	0	110	I20 E26 H27 K104	I20-D24 HydrophobicContact CG2-CB 3.79Å; I20-D24 WeakPolarHBondContact O-CB 3.28Å; I20-D24 PolarHBondContact O-N 3.42Å; D24-E26 PolarHBondContact O-N 2.91Å; D24-E26 WeakPolarHBondContact OD1-CB 3.2Å; D24-E26 PolarHBondContact OD1-N 3.13Å; D24-H27 HydrophobicContact CB-CB 4.42Å; D24-H27 PolarHBondContact O-N 3.07Å; D24-K104 IonicContact OD1-NZ 3.86Å; D24-K104 IonicContact OD2-NZ 3.8Å; D24-K104 PolarHBondContact OD2-NZ 3.04Å
25	P	94.9	Very high	77.6	Confident	1 Å²	1	73.7 Å²	73.7	1%	0.006	42%	0.417	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-25	177	26.6	-34.2	0	0	0	112.3	W23 H27 L89 R91 K102 K104	W23-P25 WeakPolarHBondContact O-CD 3.35Å; P25-H27 VanDerWaalsContact C-N 3.3Å; P25-H27 PolarHBondContact O-N 3.28Å; P25-L89 HydrophobicContact CB-CG 4.4Å; P25-L89 HydrophobicContact CG-CB 4.27Å; P25-L89 HydrophobicContact CG-CD2 4.07Å; P25-L89 HydrophobicContact CG-CG 4.01Å; P25-R91 HydrophobicContact CB-CB 3.52Å; P25-R91 WeakPolarHBondContact O-CD 3.38Å; P25-R91 PolarHBondContact O-NH1 2.88Å; P25-K102 HydrophobicContact CB-CB 3.92Å; P25-K104 HydrophobicContact CG-CB 3.59Å
26	E	92.2	Very high	79.2	Confident	115 Å²	115	75.8 Å²	75.8	54%	0.537	44%	0.436	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-19.2	179.9	-60.9	-170.4	94.1	0	0	113.2	D24 R28 L89 K104	D24-E26 PolarHBondContact O-N 2.91Å; D24-E26 WeakPolarHBondContact OD1-CB 3.2Å; D24-E26 PolarHBondContact OD1-N 3.13Å; E26-R28 PolarHBondContact O-N 3.21Å; E26-L89 HydrophobicContact CG-CD2 3.55Å; E26-K104 IonicContact OE2-NZ 3.9Å; E26-K104 PolarHBondContact OE2-NZ 2.77Å
27	H	86.5	Confident	80.7	Confident	86 Å²	86	76.3 Å²	76.3	40%	0.398	44%	0.44	S	S	.	.			trans	-81.6	103.4	179.8	-171.5	-71.3	0	0	0	112	D24 P25	D24-H27 HydrophobicContact CB-CB 4.42Å; D24-H27 PolarHBondContact O-N 3.07Å; P25-H27 VanDerWaalsContact C-N 3.3Å; P25-H27 PolarHBondContact O-N 3.28Å
28	R	74	Confident	82.1	Confident	125 Å²	125	72 Å²	72	47%	0.472	41%	0.409	S	S	.	.			trans	-94.5	92.1	174.3	-68.3	-173.9	171.3	-175.7	-0.2	111.2	E26 E31 D65	E26-R28 PolarHBondContact O-N 3.21Å; R28-E31 HydrophobicContact CB-CG 4.4Å; R28-E31 WeakPolarHBondContact CD-OE1 3.29Å; R28-E31 IonicContact CZ-OE1 3.34Å; R28-E31 IonicContact NH1-OE1 3.64Å; R28-E31 PolarHBondContact NH1-OE1 3.17Å; R28-D65 IonicContact CZ-OD2 2.86Å; R28-D65 IonicContact NH2-OD2 3.57Å; R28-D65 PolarHBondContact NH2-OD2 3.06Å
29	A	60.9	Low	83.3	Confident	70 Å²	70	73 Å²	73	58%	0.579	42%	0.416	S	S	*	.	S	Bend	trans	-72.5	-33.6	177.3	0	0	0	0	0	112.7
30	N	62.3	Low	84.2	Confident	139 Å²	139	74.7 Å²	74.7	74%	0.743	42%	0.419	S	S	*	.	S	Bend	trans	-146.1	117.7	177.6	-68.8	-48	0	0	0	108.5	V32	N30-V32 HydrophobicContact CB-CG2 4.38Å; N30-V32 PolarHBondContact O-N 3.44Å
31	E	67.2	Low	85.4	Confident	146 Å²	146	72.1 Å²	72.1	68%	0.682	40%	0.402	S	S	*	.			trans	-78.6	61.7	178.9	-60	-162.1	132.6	0	0	111.4	R28 P33	R28-E31 HydrophobicContact CB-CG 4.4Å; R28-E31 WeakPolarHBondContact CD-OE1 3.29Å; R28-E31 IonicContact CZ-OE1 3.34Å; R28-E31 IonicContact NH1-OE1 3.64Å; R28-E31 PolarHBondContact NH1-OE1 3.17Å; E31-P33 WeakPolarHBondContact O-CD 3.43Å
32	V	79.2	Confident	86.5	Confident	88 Å²	88	70.6 Å²	70.6	53%	0.533	39%	0.39	S	S	.	.	P	Polyproline II helix	trans	-75	122.9	170.3	-179.4	0	0	0	0	107.6	N30 P94	N30-V32 HydrophobicContact CB-CG2 4.38Å; N30-V32 PolarHBondContact O-N 3.44Å; V32-P94 HydrophobicContact CB-CB 4.48Å; V32-P94 HydrophobicContact CB-CG 4.02Å; V32-P94 HydrophobicContact CG1-CB 4.24Å; V32-P94 HydrophobicContact CG1-CG 4.32Å; V32-P94 VanDerWaalsContact O-CG 3.23Å; V32-P94 WeakPolarHBondContact O-CG 3.49Å
33	P	84.3	Confident	87.2	Confident	109 Å²	109	69.5 Å²	69.5	71%	0.708	38%	0.381	S	S	*	.	P	Polyproline II helix	trans	-60.9	144.7	175.5	-22.2	33.7	0	0	0	111.1	E31	E31-P33 WeakPolarHBondContact O-CD 3.43Å
34	A	87.5	Confident	87.5	Confident	27 Å²	27	75.7 Å²	75.7	22%	0.223	41%	0.408	C	S	.	.	P	Polyproline II helix	trans	-61.9	138.8	173.4	0	0	0	0	0	111.2	C38 L39 T67	A34-C38 HydrophobicContact CB-CB 4.24Å; A34-L39 HydrophobicContact CB-CD2 3.9Å; A34-L39 HydrophobicContact CB-CG 3.99Å; A34-T67 HydrophobicContact CB-CG2 3.55Å
35	S	89.6	Confident	87.7	Confident	57 Å²	57	75.3 Å²	75.3	40%	0.399	41%	0.406	S	S	.	.	P	Polyproline II helix	trans	-68.5	160.6	174	69.2	0	0	0	0	111.3	D37 C38 L39	S35-D37 PolarHBondContact O-N 3.11Å; S35-C38 WeakPolarHBondContact O-CB 3.49Å; S35-C38 PolarHBondContact O-N 2.95Å; S35-C38 WeakPolarHBondContact OG-CB 3.12Å; S35-C38 PolarHBondContact OG-N 2.76Å; S35-C38 VanDerWaalsContact OG-N 3.15Å; S35-L39 WeakPolarHBondContact O-CG 3.2Å; S35-L39 PolarHBondContact O-N 3.13Å
36	S	92.4	Very high	87.8	Confident	85 Å²	85	75.9 Å²	75.9	59%	0.594	41%	0.409	S	S	*	.	H	α-helix	trans	-56.7	-39.2	173.9	-175.2	0	0	0	0	111.8	L39 L40	S36-L39 PolarHBondContact O-N 3.34Å; S36-L40 WeakPolarHBondContact O-CB 3.38Å; S36-L40 VanDerWaalsContact O-CG 3.27Å; S36-L40 WeakPolarHBondContact O-CG 3.44Å; S36-L40 PolarHBondContact O-N 2.75Å
37	D	93.6	Very high	88	Confident	127 Å²	127	77.8 Å²	77.8	68%	0.679	41%	0.411	S	S	*	.	H	α-helix	trans	-67	-39.3	179.4	-66.2	-25.5	0	0	0	111.9	S35 L40 R41	S35-D37 PolarHBondContact O-N 3.11Å; D37-L40 PolarHBondContact O-N 2.87Å; D37-R41 WeakPolarHBondContact O-CB 3.35Å; D37-R41 PolarHBondContact O-N 2.68Å
38	C	94.6	Very high	88.5	Confident	1 Å²	1	76.6 Å²	76.6	1%	0.007	41%	0.413	C	S	.	.	H	α-helix	trans	-59.6	-50.6	173.4	177.6	0	0	0	0	110.9	A34 S35 L40 R41 I42 P93 Y96	A34-C38 HydrophobicContact CB-CB 4.24Å; S35-C38 WeakPolarHBondContact O-CB 3.49Å; S35-C38 PolarHBondContact O-N 2.95Å; S35-C38 WeakPolarHBondContact OG-CB 3.12Å; S35-C38 PolarHBondContact OG-N 2.76Å; S35-C38 VanDerWaalsContact OG-N 3.15Å; C38-L40 PolarHBondContact O-N 3.3Å; C38-R41 WeakPolarHBondContact O-CB 3.39Å; C38-R41 PolarHBondContact O-N 3.07Å; C38-R41 VanDerWaalsContact O-N 3.15Å; C38-I42 WeakPolarHBondContact O-CG1 3.29Å; C38-I42 PolarHBondContact O-N 2.72Å; C38-P93 PolarHBondContact SG-O 3.32Å; C38-Y96 WeakPolarHBondContact CA-O 3.43Å
39	L	95.9	Very high	89.6	Confident	65 Å²	65	71 Å²	71	34%	0.34	39%	0.392	S	S	.	.	H	α-helix	trans	-63.6	-40.4	179.7	-66.8	176.4	0	0	0	112.5	A34 S35 S36 R41 I42 T43 M66 T67	A34-L39 HydrophobicContact CB-CD2 3.9Å; A34-L39 HydrophobicContact CB-CG 3.99Å; S35-L39 WeakPolarHBondContact O-CG 3.2Å; S35-L39 PolarHBondContact O-N 3.13Å; S36-L39 PolarHBondContact O-N 3.34Å; L39-R41 VanDerWaalsContact C-N 3.31Å; L39-R41 PolarHBondContact O-N 2.83Å; L39-I42 HydrophobicContact CD2-CD1 4.48Å; L39-I42 PolarHBondContact O-N 3.3Å; L39-T43 WeakPolarHBondContact O-CB 3.2Å; L39-T43 PolarHBondContact O-N 3.5Å; L39-T43 PolarHBondContact O-OG1 3.25Å; L39-M66 HydrophobicContact CD2-CB 4.12Å; L39-T67 HydrophobicContact CD2-CG2 4.29Å
40	L	96.9	Very high	91.2	Very high	106 Å²	106	72 Å²	72	56%	0.555	39%	0.394	S	S	*	.	H	α-helix	trans	-61.5	-41.4	173.9	-75.8	173.5	0	0	0	111.3	S36 D37 C38 T43 K44	S36-L40 WeakPolarHBondContact O-CB 3.38Å; S36-L40 VanDerWaalsContact O-CG 3.27Å; S36-L40 WeakPolarHBondContact O-CG 3.44Å; S36-L40 PolarHBondContact O-N 2.75Å; D37-L40 PolarHBondContact O-N 2.87Å; C38-L40 PolarHBondContact O-N 3.3Å; L40-T43 PolarHBondContact O-N 2.94Å; L40-K44 WeakPolarHBondContact O-CB 3.45Å; L40-K44 PolarHBondContact O-N 3.16Å
41	R	97.7	Very high	92.8	Very high	47 Å²	47	72 Å²	72	18%	0.177	39%	0.394	C	S	.	.	H	α-helix	trans	-66.3	-45.9	177.3	177.5	61.2	-164.1	-90.9	-10.8	112.1	D37 C38 L39 T43 K44 D45 Y96 P97 P140 Q142	D37-R41 WeakPolarHBondContact O-CB 3.35Å; D37-R41 PolarHBondContact O-N 2.68Å; C38-R41 WeakPolarHBondContact O-CB 3.39Å; C38-R41 PolarHBondContact O-N 3.07Å; C38-R41 VanDerWaalsContact O-N 3.15Å; L39-R41 VanDerWaalsContact C-N 3.31Å; L39-R41 PolarHBondContact O-N 2.83Å; R41-T43 VanDerWaalsContact C-N 3.3Å; R41-T43 PolarHBondContact O-N 3.26Å; R41-K44 WeakPolarHBondContact O-CB 3.41Å; R41-K44 PolarHBondContact O-N 3.03Å; R41-D45 IonicContact CZ-OD1 3.58Å; R41-D45 IonicContact CZ-OD2 3.9Å; R41-D45 IonicContact NE-OD1 2.83Å; R41-D45 PolarHBondContact NE-OD1 3.03Å; R41-D45 IonicContact NE-OD2 3.55Å; R41-D45 IonicContact NH2-OD1 3.42Å; R41-D45 PolarHBondContact NH2-OD1 3.24Å; R41-D45 IonicContact NH2-OD2 3.33Å; R41-D45 PolarHBondContact NH2-OD2 2.63Å; R41-D45 PolarHBondContact O-N 3.25Å; R41-Y96 HydrophobicContact CB-CD1 4.46Å; R41-Y96 HydrophobicContact CG-CD1 3.91Å; R41-Y96 HydrophobicContact CG-CE1 3.63Å; R41-P97 HydrophobicContact CG-CB 4.02Å; R41-P97 HydrophobicContact CG-CG 3.87Å; R41-P97 VanDerWaalsContact NH1-CB 3.3Å; R41-P97 VanDerWaalsContact NH1-CG 3.28Å; R41-P140 PolarHBondContact NH1-O 2.9Å; R41-Q142 PolarHBondContact NH2-O 3.12Å
42	I	97.8	Very high	94.1	Very high	0 Å²	0	71.1 Å²	71.1	0%	0	39%	0.394	C	S	.	.	H	α-helix	trans	-58	-46.8	175.9	-67.5	160.5	0	0	0	110.1	C38 L39 K44 D45 L46 T67 I69 C92 Y96	C38-I42 WeakPolarHBondContact O-CG1 3.29Å; C38-I42 PolarHBondContact O-N 2.72Å; L39-I42 HydrophobicContact CD2-CD1 4.48Å; L39-I42 PolarHBondContact O-N 3.3Å; I42-K44 VanDerWaalsContact C-N 3.29Å; I42-K44 PolarHBondContact O-N 3.47Å; I42-D45 PolarHBondContact O-N 3.04Å; I42-D45 VanDerWaalsContact O-N 3.16Å; I42-L46 HydrophobicContact CG2-CD1 3.86Å; I42-L46 HydrophobicContact CG2-CG 4.26Å; I42-L46 WeakPolarHBondContact O-CG 3.47Å; I42-L46 PolarHBondContact O-N 3.15Å; I42-T67 HydrophobicContact CD1-CG2 4.16Å; I42-I69 HydrophobicContact CG2-CD1 3.96Å; I42-C92 HydrophobicContact CD1-CB 3.73Å; I42-C92 HydrophobicContact CG1-CB 4.02Å; I42-Y96 HydrophobicContact CG1-CD1 3.77Å; I42-Y96 HydrophobicContact CG1-CE1 4.09Å
43	T	97.5	Very high	94.7	Very high	39 Å²	39	70.7 Å²	70.7	24%	0.239	39%	0.393	C	S	.	.	H	α-helix	trans	-60.5	-40	178.7	-55.4	0	0	0	0	111.7	L39 L40 R41 R47	L39-T43 WeakPolarHBondContact O-CB 3.2Å; L39-T43 PolarHBondContact O-N 3.5Å; L39-T43 PolarHBondContact O-OG1 3.25Å; L40-T43 PolarHBondContact O-N 2.94Å; R41-T43 VanDerWaalsContact C-N 3.3Å; R41-T43 PolarHBondContact O-N 3.26Å; T43-R47 VanDerWaalsContact CG2-NH2 3.28Å; T43-R47 WeakPolarHBondContact O-CG 3.49Å; T43-R47 PolarHBondContact O-N 3.16Å
44	K	97.8	Very high	95.2	Very high	140 Å²	140	66.4 Å²	66.4	61%	0.609	37%	0.366	S	S	*	.	H	α-helix	trans	-62.1	-45.9	175	179.5	-178.1	175	-176.9	0	111.6	L40 R41 I42 R47 S48	L40-K44 WeakPolarHBondContact O-CB 3.45Å; L40-K44 PolarHBondContact O-N 3.16Å; R41-K44 WeakPolarHBondContact O-CB 3.41Å; R41-K44 PolarHBondContact O-N 3.03Å; I42-K44 VanDerWaalsContact C-N 3.29Å; I42-K44 PolarHBondContact O-N 3.47Å; K44-R47 PolarHBondContact O-N 3.2Å; K44-S48 PolarHBondContact O-N 2.84Å
45	D	98.1	Very high	95.6	Very high	8 Å²	8	70.5 Å²	70.5	4%	0.043	39%	0.391	C	S	.	.	H	α-helix	trans	-64.9	-43.3	-180	-74.2	15.2	0	0	0	111.4	R41 I42 S48 I49 Y96 S143 L144	R41-D45 IonicContact CZ-OD1 3.58Å; R41-D45 IonicContact CZ-OD2 3.9Å; R41-D45 IonicContact NE-OD1 2.83Å; R41-D45 PolarHBondContact NE-OD1 3.03Å; R41-D45 IonicContact NE-OD2 3.55Å; R41-D45 IonicContact NH2-OD1 3.42Å; R41-D45 PolarHBondContact NH2-OD1 3.24Å; R41-D45 IonicContact NH2-OD2 3.33Å; R41-D45 PolarHBondContact NH2-OD2 2.63Å; R41-D45 PolarHBondContact O-N 3.25Å; I42-D45 PolarHBondContact O-N 3.04Å; I42-D45 VanDerWaalsContact O-N 3.16Å; D45-S48 WeakPolarHBondContact O-CB 3.33Å; D45-S48 PolarHBondContact O-N 3.13Å; D45-S48 VanDerWaalsContact O-N 3.17Å; D45-I49 WeakPolarHBondContact O-CG1 3.42Å; D45-I49 PolarHBondContact O-N 3.31Å; D45-Y96 PolarHBondContact OD2-OH 2.96Å; D45-S143 WeakPolarHBondContact OD2-CA 3.4Å; D45-L144 HydrophobicContact CB-CB 4.24Å; D45-L144 HydrophobicContact CB-CD1 4.06Å; D45-L144 HydrophobicContact CB-CG 4.13Å; D45-L144 PolarHBondContact OD2-N 2.92Å
46	L	97.6	Very high	96	Very high	14 Å²	14	69.4 Å²	69.4	7%	0.073	39%	0.389	C	S	.	.	H	α-helix	trans	-60.5	-46.4	175.1	-70	173.2	0	0	0	111.9	I42 S48 I49 C50 V59 P61 M66 I69 L144	I42-L46 HydrophobicContact CG2-CD1 3.86Å; I42-L46 HydrophobicContact CG2-CG 4.26Å; I42-L46 WeakPolarHBondContact O-CG 3.47Å; I42-L46 PolarHBondContact O-N 3.15Å; L46-S48 VanDerWaalsContact C-N 3.27Å; L46-S48 PolarHBondContact O-N 3.39Å; L46-I49 PolarHBondContact O-N 3Å; L46-C50 PolarHBondContact O-N 3.49Å; L46-C50 PolarHBondContact O-SG 3.13Å; L46-C50 VanDerWaalsContact O-SG 3.33Å; L46-V59 HydrophobicContact CD2-CB 4.47Å; L46-V59 HydrophobicContact CD2-CG2 3.82Å; L46-P61 HydrophobicContact CD1-CB 3.97Å; L46-P61 HydrophobicContact CD1-CG 4.07Å; L46-M66 HydrophobicContact CD1-CE 3.87Å; L46-I69 HydrophobicContact CD2-CD1 4.08Å; L46-I69 HydrophobicContact CD2-CG1 4.44Å; L46-I69 HydrophobicContact CD2-CG2 4.23Å; L46-I69 HydrophobicContact CG-CD1 4.5Å; L46-L144 HydrophobicContact CD2-CD1 4.42Å
47	R	97	Very high	96.3	Very high	155 Å²	155	65.8 Å²	65.8	59%	0.585	36%	0.363	S	S	*	.	H	α-helix	trans	-60.5	-37.9	174.4	-73.8	-175.6	-145.7	149.8	4.9	112.2	T43 K44 I49 C50 N51	T43-R47 VanDerWaalsContact CG2-NH2 3.28Å; T43-R47 WeakPolarHBondContact O-CG 3.49Å; T43-R47 PolarHBondContact O-N 3.16Å; K44-R47 PolarHBondContact O-N 3.2Å; R47-I49 VanDerWaalsContact C-N 3.33Å; R47-C50 PolarHBondContact O-N 2.87Å; R47-N51 WeakPolarHBondContact O-CB 3.49Å; R47-N51 PolarHBondContact O-N 3.28Å; R47-N51 PolarHBondContact O-ND2 2.93Å
48	S	96.6	Very high	96.5	Very high	61 Å²	61	61.8 Å²	61.8	43%	0.427	34%	0.344	S	S	.	.	H	α-helix	trans	-62.5	-42.1	177	-165.8	0	0	0	0	111.4	K44 D45 L46 N51 D52	K44-S48 PolarHBondContact O-N 2.84Å; D45-S48 WeakPolarHBondContact O-CB 3.33Å; D45-S48 PolarHBondContact O-N 3.13Å; D45-S48 VanDerWaalsContact O-N 3.17Å; L46-S48 VanDerWaalsContact C-N 3.27Å; L46-S48 PolarHBondContact O-N 3.39Å; S48-N51 PolarHBondContact O-N 3.42Å; S48-D52 PolarHBondContact O-N 2.61Å
49	I	96.9	Very high	96.6	Very high	6 Å²	6	62.8 Å²	62.8	3%	0.031	35%	0.35	C	S	.	.	H	α-helix	trans	-64.3	-42.4	175.6	-65.5	165	0	0	0	110.7	D45 L46 R47 D52 P53 V59 L144 L148	D45-I49 WeakPolarHBondContact O-CG1 3.42Å; D45-I49 PolarHBondContact O-N 3.31Å; L46-I49 PolarHBondContact O-N 3Å; R47-I49 VanDerWaalsContact C-N 3.33Å; I49-D52 CarbonylContact O-C 3.55Å; I49-P53 WeakPolarHBondContact O-CA 3.38Å; I49-P53 VanDerWaalsContact O-N 3.13Å; I49-V59 HydrophobicContact CB-CG2 4.22Å; I49-V59 HydrophobicContact CD1-CG1 4.15Å; I49-V59 HydrophobicContact CD1-CG2 4.06Å; I49-V59 HydrophobicContact CG2-CG1 4.4Å; I49-V59 HydrophobicContact CG2-CG2 3.74Å; I49-L144 HydrophobicContact CD1-CB 3.91Å; I49-L148 HydrophobicContact CD1-CD1 4.11Å
50	C	94.4	Very high	96.7	Very high	92 Å²	92	60.9 Å²	60.9	62%	0.622	34%	0.341	S	S	*	.	H	α-helix	trans	-66.7	-36.4	178.2	-64.3	0	0	0	0	113.1	L46 R47	L46-C50 PolarHBondContact O-N 3.49Å; L46-C50 PolarHBondContact O-SG 3.13Å; L46-C50 VanDerWaalsContact O-SG 3.33Å; R47-C50 PolarHBondContact O-N 2.87Å
51	N	95.6	Very high	96.7	Very high	139 Å²	139	57.7 Å²	57.7	74%	0.743	33%	0.327	S	S	*	.	H	α-helix	trans	-78.6	-31	-178.2	-71.5	-15.3	0	0	0	113	R47 S48	R47-N51 WeakPolarHBondContact O-CB 3.49Å; R47-N51 PolarHBondContact O-N 3.28Å; R47-N51 PolarHBondContact O-ND2 2.93Å; S48-N51 PolarHBondContact O-N 3.42Å
52	D	94.6	Very high	96.6	Very high	127 Å²	127	56.8 Å²	56.8	68%	0.679	33%	0.325	S	S	*	.	S	Bend	trans	-135.3	72.9	179.5	-171.9	27.6	0	0	0	109.5	S48 I49 A54	S48-D52 PolarHBondContact O-N 2.61Å; I49-D52 CarbonylContact O-C 3.55Å; D52-A54 PolarHBondContact O-N 3.31Å
53	P	92.6	Very high	96.3	Very high	79 Å²	79	64.6 Å²	64.6	51%	0.513	37%	0.367	S	S	.	.	P	Polyproline II helix	trans	-71.8	123.3	-174.8	28	-33.7	0	0	0	110.7	I49	I49-P53 WeakPolarHBondContact O-CA 3.38Å; I49-P53 VanDerWaalsContact O-N 3.13Å
54	A	95.5	Very high	96.1	Very high	19 Å²	19	71.8 Å²	71.8	16%	0.157	40%	0.398	C	S	.	.	P	Polyproline II helix	trans	-64.6	139.1	169.4	0	0	0	0	0	110.2	D52 G56 I57 I149	D52-A54 PolarHBondContact O-N 3.31Å; A54-G56 PolarHBondContact O-N 3.05Å; A54-I57 HydrophobicContact CB-CB 4.26Å; A54-I57 HydrophobicContact CB-CD1 3.89Å; A54-I57 HydrophobicContact CB-CG1 4.22Å; A54-I57 PolarHBondContact O-N 3.45Å; A54-I57 VanDerWaalsContact O-N 3.09Å; A54-I149 HydrophobicContact CB-CD1 4.19Å; A54-I149 HydrophobicContact CB-CG1 3.97Å
55	P	95.5	Very high	95.8	Very high	113 Å²	113	66.6 Å²	66.6	73%	0.734	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	129.9	-178.6	-27.4	35	0	0	0	113.2	I57 Q152	P55-I57 PolarHBondContact O-N 3.2Å; P55-Q152 PolarHBondContact O-NE2 3.47Å
56	G	97.2	Very high	95.6	Very high	35 Å²	35	69.5 Å²	69.5	36%	0.361	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.8	14.2	179.1	0	0	0	0	0	114.6	A54 I73 T74	A54-G56 PolarHBondContact O-N 3.05Å; G56-I73 CarbonylContact O-C 3.55Å; G56-I73 WeakPolarHBondContact O-CA 3.25Å; G56-T74 PolarHBondContact O-N 2.87Å
57	I	98.3	Very high	95.5	Very high	8 Å²	8	69.5 Å²	69.5	4%	0.041	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	126.2	176.7	-56.1	-172.7	0	0	0	109.7	A54 P55 L72 I73 L148 I149 Q152	A54-I57 HydrophobicContact CB-CB 4.26Å; A54-I57 HydrophobicContact CB-CD1 3.89Å; A54-I57 HydrophobicContact CB-CG1 4.22Å; A54-I57 PolarHBondContact O-N 3.45Å; A54-I57 VanDerWaalsContact O-N 3.09Å; P55-I57 PolarHBondContact O-N 3.2Å; I57-L72 WeakPolarHBondContact CA-O 3.43Å; I57-I73 HydrophobicContact CG1-CG1 4.34Å; I57-L148 HydrophobicContact CD1-CB 4.08Å; I57-L148 HydrophobicContact CG2-CB 4.07Å; I57-L148 HydrophobicContact CG2-CD1 3.88Å; I57-L148 HydrophobicContact CG2-CG 4.42Å; I57-I149 HydrophobicContact CD1-CG1 4.25Å; I57-Q152 HydrophobicContact CD1-CB 4.29Å
58	C	97.7	Very high	95.5	Very high	43 Å²	43	64 Å²	64	29%	0.291	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	144.9	174.8	-66.2	0	0	0	0	110.1	A71 L72 L205	C58-A71 CarbonylContact O-C 3.59Å; C58-A71 VanDerWaalsContact O-CA 3.29Å; C58-A71 WeakPolarHBondContact O-CA 3.46Å; C58-L72 HydrophobicContact CB-CB 4.37Å; C58-L72 PolarHBondContact N-O 3.28Å; C58-L72 PolarHBondContact O-N 2.95Å; C58-L205 HydrophobicContact CB-CD2 3.79Å
59	V	98.1	Very high	95.6	Very high	23 Å²	23	61.2 Å²	61.2	14%	0.139	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	143.8	-180	-59.9	0	0	0	0	111.3	L46 I49 I69 Y70 A71 L148	L46-V59 HydrophobicContact CD2-CB 4.47Å; L46-V59 HydrophobicContact CD2-CG2 3.82Å; I49-V59 HydrophobicContact CB-CG2 4.22Å; I49-V59 HydrophobicContact CD1-CG1 4.15Å; I49-V59 HydrophobicContact CD1-CG2 4.06Å; I49-V59 HydrophobicContact CG2-CG1 4.4Å; I49-V59 HydrophobicContact CG2-CG2 3.74Å; V59-I69 HydrophobicContact CB-CG2 4.13Å; V59-Y70 CarbonylContact C-O 3.52Å; V59-Y70 VanDerWaalsContact CA-O 3.32Å; V59-Y70 WeakPolarHBondContact CA-O 3.45Å; V59-A71 HydrophobicContact CG1-CB 3.96Å; V59-L148 HydrophobicContact CG1-CD1 3.49Å; V59-L148 VanDerWaalsContact CG1-CD1 3.49Å
60	V	97.4	Very high	95.6	Very high	24 Å²	24	62.4 Å²	62.4	15%	0.145	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	114.3	176.6	177.4	0	0	0	0	108.4	Y70 P202 D204 L205	V60-Y70 PolarHBondContact N-O 3.49Å; V60-Y70 PolarHBondContact O-N 2.86Å; V60-P202 HydrophobicContact CB-CB 4.36Å; V60-P202 HydrophobicContact CB-CG 4.35Å; V60-P202 HydrophobicContact CG1-CB 3.84Å; V60-P202 HydrophobicContact CG1-CG 4.01Å; V60-D204 HydrophobicContact CG2-CB 3.95Å; V60-L205 HydrophobicContact CB-CG 4.21Å; V60-L205 HydrophobicContact CG2-CD1 4.46Å; V60-L205 HydrophobicContact CG2-CD2 3.67Å; V60-L205 HydrophobicContact CG2-CG 3.66Å
61	P	96.9	Very high	95.8	Very high	39 Å²	39	58 Å²	58	25%	0.253	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	150.7	172.5	30	-34.3	0	0	0	110.8	L46 M66 I69	L46-P61 HydrophobicContact CD1-CB 3.97Å; L46-P61 HydrophobicContact CD1-CG 4.07Å; P61-M66 HydrophobicContact CB-CE 4.08Å; P61-M66 HydrophobicContact CB-SD 3.82Å; P61-M66 HydrophobicContact CG-CE 4.24Å; P61-M66 HydrophobicContact CG-SD 4.12Å; P61-I69 HydrophobicContact CB-CG1 4.36Å
62	D	95.4	Very high	96	Very high	28 Å²	28	51.5 Å²	51.5	15%	0.15	29%	0.292	C	S	.	.			trans	-69	138.8	171.6	-172	-71.6	0	0	0	109.9	E64 D65 K68 Y70	D62-E64 VanDerWaalsContact C-N 3.27Å; D62-E64 PolarHBondContact O-N 3.33Å; D62-E64 PolarHBondContact OD1-N 3.41Å; D62-D65 CarbonylContact O-C 3.36Å; D62-D65 PolarHBondContact OD1-N 2.79Å; D62-K68 HydrophobicContact CB-CB 3.95Å; D62-K68 HydrophobicContact CB-CD 3.87Å; D62-K68 HydrophobicContact CB-CG 4.17Å; D62-K68 WeakPolarHBondContact CB-O 3.47Å; D62-K68 PolarHBondContact N-O 2.95Å; D62-K68 WeakPolarHBondContact OD2-CD 3.41Å; D62-K68 IonicContact OD2-NZ 2.69Å; D62-K68 PolarHBondContact OD2-NZ 2.76Å; D62-Y70 HydrophobicContact CB-CE2 4.19Å
63	N	92.5	Very high	96.2	Very high	164 Å²	164	45.4 Å²	45.4	88%	0.877	26%	0.26	S	S	*	.	S	Bend	trans	-67.3	-27.4	-173.9	-69.7	-36.4	0	0	0	113.3
64	E	92.2	Very high	96.5	Very high	191 Å²	191	42.2 Å²	42.2	89%	0.893	24%	0.239	S	C	*	.	S	Bend	trans	-100.7	-29.2	-176.7	-61.9	-178.9	179.9	0	0	111.8	D62	D62-E64 VanDerWaalsContact C-N 3.27Å; D62-E64 PolarHBondContact O-N 3.33Å; D62-E64 PolarHBondContact OD1-N 3.41Å
65	D	92.8	Very high	96.6	Very high	30 Å²	30	41.4 Å²	41.4	16%	0.16	23%	0.232	C	C	.	.			trans	-130.9	90.2	-177.3	178.3	9.4	0	0	0	110.9	R28 D62 T67 K68 R91	R28-D65 IonicContact CZ-OD2 2.86Å; R28-D65 IonicContact NH2-OD2 3.57Å; R28-D65 PolarHBondContact NH2-OD2 3.06Å; D62-D65 CarbonylContact O-C 3.36Å; D62-D65 PolarHBondContact OD1-N 2.79Å; D65-T67 VanDerWaalsContact CG-OG1 3.32Å; D65-T67 PolarHBondContact O-N 2.93Å; D65-T67 WeakPolarHBondContact OD1-CB 3.41Å; D65-T67 PolarHBondContact OD1-N 3.44Å; D65-T67 VanDerWaalsContact OD1-N 3.09Å; D65-T67 PolarHBondContact OD1-OG1 3.27Å; D65-T67 PolarHBondContact OD2-OG1 3.17Å; D65-K68 HydrophobicContact CB-CB 4.19Å; D65-K68 WeakPolarHBondContact O-CA 3.48Å; D65-K68 WeakPolarHBondContact O-CB 3.31Å; D65-K68 PolarHBondContact O-N 3.2Å; D65-R91 IonicContact OD2-CZ 3.95Å; D65-R91 IonicContact OD2-NE 3.04Å; D65-R91 IonicContact OD2-NH2 2.64Å; D65-R91 PolarHBondContact OD2-NH2 3.43Å
66	M	93	Very high	96.8	Very high	70 Å²	70	37.8 Å²	37.8	35%	0.345	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-16.6	178.3	-74.4	-67.8	-63	0	0	114.2	L39 L46 P61 K68	L39-M66 HydrophobicContact CD2-CB 4.12Å; L46-M66 HydrophobicContact CD1-CE 3.87Å; P61-M66 HydrophobicContact CB-CE 4.08Å; P61-M66 HydrophobicContact CB-SD 3.82Å; P61-M66 HydrophobicContact CG-CE 4.24Å; P61-M66 HydrophobicContact CG-SD 4.12Å; M66-K68 VanDerWaalsContact C-N 3.26Å
67	T	95.4	Very high	96.8	Very high	14 Å²	14	42.5 Å²	42.5	9%	0.086	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-20.2	174	76.8	0	0	0	0	112.5	A34 L39 I42 D65 R91 C92	A34-T67 HydrophobicContact CB-CG2 3.55Å; L39-T67 HydrophobicContact CD2-CG2 4.29Å; I42-T67 HydrophobicContact CD1-CG2 4.16Å; D65-T67 VanDerWaalsContact CG-OG1 3.32Å; D65-T67 PolarHBondContact O-N 2.93Å; D65-T67 WeakPolarHBondContact OD1-CB 3.41Å; D65-T67 PolarHBondContact OD1-N 3.44Å; D65-T67 VanDerWaalsContact OD1-N 3.09Å; D65-T67 PolarHBondContact OD1-OG1 3.27Å; D65-T67 PolarHBondContact OD2-OG1 3.17Å; T67-R91 CarbonylContact O-C 3.54Å; T67-R91 VanDerWaalsContact O-CA 3.26Å; T67-R91 WeakPolarHBondContact O-CA 3.32Å; T67-C92 WeakPolarHBondContact CB-O 3.31Å; T67-C92 PolarHBondContact O-N 3.37Å
68	K	96.6	Very high	96.8	Very high	40 Å²	40	48.8 Å²	48.8	17%	0.174	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	125	178	-174	-165.3	175.2	-164.7	0	109	D62 D65 M66 Y70 L89 I90	D62-K68 HydrophobicContact CB-CB 3.95Å; D62-K68 HydrophobicContact CB-CD 3.87Å; D62-K68 HydrophobicContact CB-CG 4.17Å; D62-K68 WeakPolarHBondContact CB-O 3.47Å; D62-K68 PolarHBondContact N-O 2.95Å; D62-K68 WeakPolarHBondContact OD2-CD 3.41Å; D62-K68 IonicContact OD2-NZ 2.69Å; D62-K68 PolarHBondContact OD2-NZ 2.76Å; D65-K68 HydrophobicContact CB-CB 4.19Å; D65-K68 WeakPolarHBondContact O-CA 3.48Å; D65-K68 WeakPolarHBondContact O-CB 3.31Å; D65-K68 PolarHBondContact O-N 3.2Å; M66-K68 VanDerWaalsContact C-N 3.26Å; K68-Y70 WeakPolarHBondContact CE-OH 3.46Å; K68-Y70 PolarHBondContact NZ-OH 2.72Å; K68-L89 HydrophobicContact CD-CD1 4.28Å; K68-L89 HydrophobicContact CG-CD1 3.65Å; K68-I90 CarbonylContact C-O 3.56Å; K68-I90 WeakPolarHBondContact CA-O 3.28Å
69	I	98.3	Very high	96.8	Very high	1 Å²	1	47.4 Å²	47.4	1%	0.005	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	132.5	-173.1	-60.3	159.3	0	0	0	108	I42 L46 V59 P61 I90 L144	I42-I69 HydrophobicContact CG2-CD1 3.96Å; L46-I69 HydrophobicContact CD2-CD1 4.08Å; L46-I69 HydrophobicContact CD2-CG1 4.44Å; L46-I69 HydrophobicContact CD2-CG2 4.23Å; L46-I69 HydrophobicContact CG-CD1 4.5Å; V59-I69 HydrophobicContact CB-CG2 4.13Å; P61-I69 HydrophobicContact CB-CG1 4.36Å; I69-I90 HydrophobicContact CB-CB 4.26Å; I69-I90 PolarHBondContact N-O 2.95Å; I69-I90 PolarHBondContact O-N 3.26Å; I69-L144 HydrophobicContact CD1-CD1 3.47Å; I69-L144 VanDerWaalsContact CD1-CD1 3.47Å
70	Y	98.5	Very high	96.9	Very high	32 Å²	32	46.6 Å²	46.6	13%	0.125	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	135.8	169.6	-60.6	-94.2	0	0	0	108.6	V59 V60 D62 K68 F88 L89 M106 F201 P202	V59-Y70 CarbonylContact C-O 3.52Å; V59-Y70 VanDerWaalsContact CA-O 3.32Å; V59-Y70 WeakPolarHBondContact CA-O 3.45Å; V60-Y70 PolarHBondContact N-O 3.49Å; V60-Y70 PolarHBondContact O-N 2.86Å; D62-Y70 HydrophobicContact CB-CE2 4.19Å; K68-Y70 WeakPolarHBondContact CE-OH 3.46Å; K68-Y70 PolarHBondContact NZ-OH 2.72Å; Y70-F88 WeakPolarHBondContact CA-O 3.44Å; Y70-L89 HydrophobicContact CD1-CD1 4.12Å; Y70-L89 HydrophobicContact CE1-CD1 3.95Å; Y70-M106 HydrophobicContact CD1-SD 4.13Å; Y70-M106 HydrophobicContact CE1-CE 4.31Å; Y70-M106 HydrophobicContact CE1-SD 4.38Å; Y70-F201 HydrophobicContact CD1-CB 4.39Å; Y70-P202 HydrophobicContact CD1-CG 4.39Å; Y70-P202 HydrophobicContact CD2-CG 3.36Å; Y70-P202 HydrophobicContact CE2-CG 3.81Å; Y70-P202 HydrophobicContact CG-CG 3.67Å
71	A	98.6	Very high	96.9	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	142.4	174	0	0	0	0	0	110.4	C58 V59 L87 F88 I90 L148	C58-A71 CarbonylContact O-C 3.59Å; C58-A71 VanDerWaalsContact O-CA 3.29Å; C58-A71 WeakPolarHBondContact O-CA 3.46Å; V59-A71 HydrophobicContact CG1-CB 3.96Å; A71-L87 CarbonylContact O-C 3.58Å; A71-L87 WeakPolarHBondContact O-CA 3.17Å; A71-F88 HydrophobicContact CB-CB 4.32Å; A71-F88 PolarHBondContact N-O 3.04Å; A71-F88 PolarHBondContact O-N 3.42Å; A71-I90 HydrophobicContact CB-CD1 4.07Å; A71-L148 HydrophobicContact CB-CD1 4.42Å; A71-L148 HydrophobicContact CB-CD2 3.62Å
72	L	98.7	Very high	97	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.005	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	126.8	168.7	170.9	64.7	0	0	0	107.4	I57 C58 F85 L87 L205 V208 V209	I57-L72 WeakPolarHBondContact CA-O 3.43Å; C58-L72 HydrophobicContact CB-CB 4.37Å; C58-L72 PolarHBondContact N-O 3.28Å; C58-L72 PolarHBondContact O-N 2.95Å; L72-F85 HydrophobicContact CD1-CB 3.66Å; L72-F85 HydrophobicContact CD1-CD1 4.23Å; L72-F85 HydrophobicContact CD1-CG 4.4Å; L72-L87 HydrophobicContact CB-CD2 4.47Å; L72-L87 HydrophobicContact CD1-CD2 4.24Å; L72-L205 HydrophobicContact CB-CD1 4.32Å; L72-L205 HydrophobicContact CB-CD2 3.94Å; L72-V208 HydrophobicContact CD2-CB 4.08Å; L72-V208 HydrophobicContact CD2-CG1 3.78Å; L72-V209 HydrophobicContact CD1-CG2 4.13Å; L72-V209 HydrophobicContact CD2-CG2 3.83Å
73	I	98.8	Very high	97.2	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	117.8	168.1	-58	-178.7	0	0	0	107.6	G56 I57 F86 F88 L148 I151 Q152 M155	G56-I73 CarbonylContact O-C 3.55Å; G56-I73 WeakPolarHBondContact O-CA 3.25Å; I57-I73 HydrophobicContact CG1-CG1 4.34Å; I73-F86 PolarHBondContact N-O 3.26Å; I73-F86 WeakPolarHBondContact O-CB 3.39Å; I73-F86 PolarHBondContact O-N 2.76Å; I73-F88 HydrophobicContact CB-CD2 4.49Å; I73-F88 HydrophobicContact CB-CE2 4.01Å; I73-F88 HydrophobicContact CD1-CD2 4.01Å; I73-F88 HydrophobicContact CD1-CE2 3.7Å; I73-F88 HydrophobicContact CD1-CZ 4.35Å; I73-F88 HydrophobicContact CG1-CD2 4.07Å; I73-F88 HydrophobicContact CG1-CE2 3.93Å; I73-L148 HydrophobicContact CD1-CD2 3.99Å; I73-L148 HydrophobicContact CG1-CD2 4.38Å; I73-I151 HydrophobicContact CD1-CB 4.08Å; I73-I151 HydrophobicContact CD1-CG2 3.68Å; I73-Q152 HydrophobicContact CG2-CB 3.84Å; I73-Q152 HydrophobicContact CG2-CG 3.68Å; I73-M155 HydrophobicContact CG2-CE 4.21Å; I73-M155 HydrophobicContact CG2-SD 4.04Å
74	T	98.7	Very high	97.5	Very high	12 Å²	12	35.7 Å²	35.7	7%	0.074	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	130.4	168.9	-54.4	0	0	0	0	108.8	G56 G84 Q152 Y216	G56-T74 PolarHBondContact O-N 2.87Å; T74-G84 CarbonylContact C-O 3.59Å; T74-G84 VanDerWaalsContact CA-O 3.28Å; T74-G84 WeakPolarHBondContact CA-O 3.48Å; T74-Q152 PolarHBondContact O-NE2 3.39Å; T74-Y216 HydrophobicContact CG2-CE2 4.06Å
75	G	98.7	Very high	97.8	Very high	1 Å²	1	26.6 Å²	26.6	1%	0.01	13%	0.134	C	C	.	.	B	Isolated β-bridge	trans	-63	135.6	179.5	0	0	0	0	0	111.8	Y81 G83 G84	G75-Y81 VanDerWaalsContact CA-O 3.28Å; G75-Y81 WeakPolarHBondContact CA-O 3.45Å; G75-G83 PolarHBondContact O-N 3.18Å; G75-G84 PolarHBondContact N-O 3.49Å
76	P	98.6	Very high	98.1	Very high	38 Å²	38	25.2 Å²	25.2	25%	0.247	13%	0.126	C	C	.	.	P	Polyproline II helix	trans	-65	153.8	-173.7	-22	34.1	0	0	0	114	T79 E82 Q152 M155	P76-T79 HydrophobicContact CB-CG2 4.01Å; P76-T79 PolarHBondContact O-OG1 3.35Å; P76-E82 VanDerWaalsContact O-CA 3.29Å; P76-E82 WeakPolarHBondContact O-CA 3.3Å; P76-E82 WeakPolarHBondContact O-CB 3.43Å; P76-Q152 HydrophobicContact CG-CG 3.89Å; P76-M155 HydrophobicContact CG-CB 4.25Å
77	F	98.1	Very high	98.4	Very high	133 Å²	133	22 Å²	22	58%	0.583	11%	0.111	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.3	148.6	171.4	-68.2	-71.8	0	0	0	112.6	T79 E82 Y216	F77-T79 WeakPolarHBondContact O-CG2 3.38Å; F77-T79 PolarHBondContact O-N 2.9Å; F77-E82 HydrophobicContact CD1-CG 4.27Å; F77-E82 WeakPolarHBondContact CD1-OE1 3.31Å; F77-Y216 HydrophobicContact CD1-CE1 4.33Å; F77-Y216 AromaticContact CE1-CE1 3.69Å; F77-Y216 HydrophobicContact CE1-CE1 3.69Å; F77-Y216 AromaticContact CE1-CZ 3.94Å; F77-Y216 WeakPolarHBondContact CE1-OH 3.49Å; F77-Y216 HydrophobicContact CZ-CE1 4.29Å; F77-Y216 VanDerWaalsContact CZ-OH 3.28Å; F77-Y216 WeakPolarHBondContact CZ-OH 3.33Å
78	D	97.8	Very high	98.5	Very high	141 Å²	141	21.3 Å²	21.3	75%	0.754	11%	0.106	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.5	25.2	177.1	-57.2	-52.4	0	0	0	113.8	E82	D78-E82 PolarHBondContact N-OE2 3.46Å
79	T	98.7	Very high	98.6	Very high	14 Å²	14	19.6 Å²	19.6	9%	0.086	10%	0.099	C	C	.	.	S	Bend	trans	-125	158.7	176	78.5	0	0	0	0	110	P76 F77 Y81 E82 M155	P76-T79 HydrophobicContact CB-CG2 4.01Å; P76-T79 PolarHBondContact O-OG1 3.35Å; F77-T79 WeakPolarHBondContact O-CG2 3.38Å; F77-T79 PolarHBondContact O-N 2.9Å; T79-Y81 PolarHBondContact O-N 3.15Å; T79-Y81 PolarHBondContact OG1-N 3.47Å; T79-E82 VanDerWaalsContact O-CB 3.27Å; T79-E82 WeakPolarHBondContact O-CB 3.08Å; T79-E82 PolarHBondContact O-N 3.29Å; T79-E82 PolarHBondContact OG1-N 2.89Å; T79-M155 WeakPolarHBondContact CG2-O 3.4Å
80	P	98.8	Very high	98.6	Very high	6 Å²	6	19.6 Å²	19.6	4%	0.039	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-1.4	175	31.3	-38.1	0	0	0	113.5	P159 N179 I182 T183 T186	P80-P159 HydrophobicContact CG-CG 3.84Å; P80-N179 HydrophobicContact CB-CB 4.2Å; P80-N179 WeakPolarHBondContact CB-O 3.26Å; P80-N179 HydrophobicContact CG-CB 4.41Å; P80-I182 HydrophobicContact CB-CB 3.87Å; P80-I182 HydrophobicContact CB-CG2 3.76Å; P80-I182 HydrophobicContact CG-CB 4.2Å; P80-I182 HydrophobicContact CG-CG2 3.9Å; P80-T183 WeakPolarHBondContact CB-OG1 3.41Å; P80-T183 WeakPolarHBondContact O-CA 3.29Å; P80-T186 WeakPolarHBondContact O-CB 3.27Å; P80-T186 PolarHBondContact O-OG1 3.38Å
81	Y	98.9	Very high	98.5	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.4	-8.9	175.6	-50.8	-83.6	0	0	0	112.5	G75 T79 G83 G84 F86 F115 N116 M155 P159 I182 T186	G75-Y81 VanDerWaalsContact CA-O 3.28Å; G75-Y81 WeakPolarHBondContact CA-O 3.45Å; T79-Y81 PolarHBondContact O-N 3.15Å; T79-Y81 PolarHBondContact OG1-N 3.47Å; Y81-G83 PolarHBondContact O-N 3.3Å; Y81-G84 WeakPolarHBondContact O-CA 3.45Å; Y81-G84 PolarHBondContact O-N 3.19Å; Y81-F86 HydrophobicContact CD1-CE1 4.29Å; Y81-F86 HydrophobicContact CD1-CE2 4.16Å; Y81-F86 AromaticContact CD1-CZ 3.67Å; Y81-F86 HydrophobicContact CD1-CZ 3.67Å; Y81-F86 HydrophobicContact CG-CZ 4.41Å; Y81-F115 HydrophobicContact CE1-CB 4.33Å; Y81-F115 PolarHBondContact OH-O 2.94Å; Y81-N116 PolarHBondContact OH-ND2 2.93Å; Y81-M155 HydrophobicContact CD1-CB 4.44Å; Y81-M155 HydrophobicContact CD1-CG 4.24Å; Y81-M155 HydrophobicContact CD2-CB 3.54Å; Y81-M155 HydrophobicContact CD2-CG 4.21Å; Y81-M155 HydrophobicContact CE2-CB 4.01Å; Y81-M155 HydrophobicContact CG-CB 3.79Å; Y81-M155 HydrophobicContact CG-CG 4.06Å; Y81-P159 HydrophobicContact CE2-CB 4.03Å; Y81-P159 HydrophobicContact CE2-CG 3.88Å; Y81-P159 WeakPolarHBondContact OH-CB 3.04Å; Y81-P159 WeakPolarHBondContact OH-CG 3.31Å; Y81-I182 HydrophobicContact CD1-CG2 3.8Å; Y81-I182 HydrophobicContact CE1-CG2 3.45Å; Y81-I182 VanDerWaalsContact CE1-CG2 3.45Å; Y81-I182 HydrophobicContact CE2-CG2 4.39Å; Y81-I182 HydrophobicContact CG-CG2 4.42Å; Y81-T186 WeakPolarHBondContact O-CG2 3.42Å
82	E	98.8	Very high	98.4	Very high	26 Å²	26	19.9 Å²	19.9	12%	0.121	10%	0.1	C	C	.	.	B	Isolated β-bridge	trans	-47.8	126.8	-169.7	178.6	175.8	172.7	0	0	113.3	P76 F77 D78 T79 G84 Y216 Y219	P76-E82 VanDerWaalsContact O-CA 3.29Å; P76-E82 WeakPolarHBondContact O-CA 3.3Å; P76-E82 WeakPolarHBondContact O-CB 3.43Å; F77-E82 HydrophobicContact CD1-CG 4.27Å; F77-E82 WeakPolarHBondContact CD1-OE1 3.31Å; D78-E82 PolarHBondContact N-OE2 3.46Å; T79-E82 VanDerWaalsContact O-CB 3.27Å; T79-E82 WeakPolarHBondContact O-CB 3.08Å; T79-E82 PolarHBondContact O-N 3.29Å; T79-E82 PolarHBondContact OG1-N 2.89Å; E82-G84 PolarHBondContact O-N 2.94Å; E82-G84 VanDerWaalsContact O-N 3.15Å; E82-Y216 HydrophobicContact CG-CE1 4.13Å; E82-Y219 HydrophobicContact CB-CE1 4.19Å; E82-Y219 WeakPolarHBondContact CB-OH 3.32Å; E82-Y219 VanDerWaalsContact CD-OH 3.32Å; E82-Y219 HydrophobicContact CG-CE1 3.88Å; E82-Y219 HydrophobicContact CG-CE2 4.3Å; E82-Y219 WeakPolarHBondContact OE1-CE2 3.37Å; E82-Y219 PolarHBondContact OE2-OH 3.49Å
83	G	98.6	Very high	98.2	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.1	-0.1	-178.9	0	0	0	0	0	114.8	G75 Y81 Y220	G75-G83 PolarHBondContact O-N 3.18Å; Y81-G83 PolarHBondContact O-N 3.3Å; G83-Y220 PolarHBondContact O-OH 3.47Å
84	G	98.8	Very high	97.9	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.119	C	C	.	.			trans	-72.8	141.4	174.6	0	0	0	0	0	112.9	T74 G75 Y81 E82 F86	T74-G84 CarbonylContact C-O 3.59Å; T74-G84 VanDerWaalsContact CA-O 3.28Å; T74-G84 WeakPolarHBondContact CA-O 3.48Å; G75-G84 PolarHBondContact N-O 3.49Å; Y81-G84 WeakPolarHBondContact O-CA 3.45Å; Y81-G84 PolarHBondContact O-N 3.19Å; E82-G84 PolarHBondContact O-N 2.94Å; E82-G84 VanDerWaalsContact O-N 3.15Å; G84-F86 WeakPolarHBondContact O-CD2 3.45Å
85	F	98.7	Very high	97.6	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	95.4	176.8	-51.2	-61.9	0	0	0	111.1	L72 T107 A190 V191 V194 V209 S212 F213	L72-F85 HydrophobicContact CD1-CB 3.66Å; L72-F85 HydrophobicContact CD1-CD1 4.23Å; L72-F85 HydrophobicContact CD1-CG 4.4Å; F85-T107 PolarHBondContact O-OG1 3.21Å; F85-A190 WeakPolarHBondContact CA-O 3.32Å; F85-A190 WeakPolarHBondContact CB-O 3.47Å; F85-A190 WeakPolarHBondContact CD2-O 3.17Å; F85-A190 PolarHBondContact N-O 3.5Å; F85-V191 HydrophobicContact CE2-CG1 4.36Å; F85-V194 HydrophobicContact CB-CG1 4.18Å; F85-V194 HydrophobicContact CB-CG2 4.48Å; F85-V209 HydrophobicContact CB-CG2 4.01Å; F85-V209 HydrophobicContact CD1-CG2 4.07Å; F85-V209 HydrophobicContact CD2-CB 4.46Å; F85-V209 HydrophobicContact CD2-CG1 3.64Å; F85-V209 HydrophobicContact CD2-CG2 4.34Å; F85-V209 HydrophobicContact CE2-CG1 3.84Å; F85-V209 HydrophobicContact CG-CB 4.4Å; F85-V209 HydrophobicContact CG-CG1 4.02Å; F85-V209 HydrophobicContact CG-CG2 3.86Å; F85-V209 HydrophobicContact CZ-CG1 4.39Å; F85-S212 VanDerWaalsContact CE1-CB 3.47Å; F85-F213 HydrophobicContact CE2-CB 4.17Å; F85-F213 HydrophobicContact CZ-CB 4.19Å
86	F	98.9	Very high	97.4	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	112.5	179.9	-63.3	-90.2	0	0	0	110.2	I73 Y81 G84 F88 L105 T107 F115 M155 T186 A190	I73-F86 PolarHBondContact N-O 3.26Å; I73-F86 WeakPolarHBondContact O-CB 3.39Å; I73-F86 PolarHBondContact O-N 2.76Å; Y81-F86 HydrophobicContact CD1-CE1 4.29Å; Y81-F86 HydrophobicContact CD1-CE2 4.16Å; Y81-F86 AromaticContact CD1-CZ 3.67Å; Y81-F86 HydrophobicContact CD1-CZ 3.67Å; Y81-F86 HydrophobicContact CG-CZ 4.41Å; G84-F86 WeakPolarHBondContact O-CD2 3.45Å; F86-F88 HydrophobicContact CB-CD2 4.49Å; F86-F88 HydrophobicContact CB-CE2 3.62Å; F86-F88 HydrophobicContact CB-CZ 4.17Å; F86-F88 WeakPolarHBondContact O-CD2 3.48Å; F86-L105 HydrophobicContact CB-CD1 4.28Å; F86-L105 HydrophobicContact CD1-CD1 4.19Å; F86-T107 HydrophobicContact CD1-CG2 4.38Å; F86-F115 AromaticContact CE1-CD1 3.74Å; F86-F115 HydrophobicContact CE1-CD1 3.74Å; F86-F115 HydrophobicContact CE1-CD2 4.24Å; F86-F115 AromaticContact CE1-CE1 3.85Å; F86-F115 HydrophobicContact CE1-CE1 3.85Å; F86-F115 HydrophobicContact CE1-CE2 4.34Å; F86-F115 AromaticContact CE1-CG 3.92Å; F86-F115 HydrophobicContact CE1-CG 3.92Å; F86-F115 HydrophobicContact CE1-CZ 4.13Å; F86-F115 HydrophobicContact CZ-CD1 4.23Å; F86-F115 HydrophobicContact CZ-CE1 4.25Å; F86-M155 HydrophobicContact CB-CE 3.78Å; F86-M155 HydrophobicContact CD1-CE 4.21Å; F86-M155 HydrophobicContact CD2-CE 3.87Å; F86-M155 HydrophobicContact CD2-SD 4.05Å; F86-M155 HydrophobicContact CE2-SD 4.45Å; F86-M155 HydrophobicContact CG-CE 3.67Å; F86-M155 HydrophobicContact CG-SD 4.46Å; F86-T186 HydrophobicContact CE2-CG2 4.36Å; F86-T186 HydrophobicContact CZ-CG2 4.18Å; F86-A190 HydrophobicContact CD1-CB 4.27Å; F86-A190 HydrophobicContact CD2-CB 4.35Å; F86-A190 HydrophobicContact CE1-CB 3.86Å; F86-A190 HydrophobicContact CE2-CB 3.94Å; F86-A190 HydrophobicContact CG-CB 4.49Å; F86-A190 HydrophobicContact CZ-CB 3.66Å
87	L	98.8	Very high	97.3	Very high	2 Å²	2	26.7 Å²	26.7	1%	0.01	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	131.7	179.4	-67.3	162.6	0	0	0	109.9	A71 L72 M106 T107 V194 T199 F201 L205	A71-L87 CarbonylContact O-C 3.58Å; A71-L87 WeakPolarHBondContact O-CA 3.17Å; L72-L87 HydrophobicContact CB-CD2 4.47Å; L72-L87 HydrophobicContact CD1-CD2 4.24Å; L87-M106 HydrophobicContact CB-CB 4.12Å; L87-M106 HydrophobicContact CB-SD 4.42Å; L87-M106 WeakPolarHBondContact O-CB 3.21Å; L87-M106 PolarHBondContact O-N 3.36Å; L87-T107 PolarHBondContact N-OG1 2.93Å; L87-V194 HydrophobicContact CD1-CG1 4.2Å; L87-V194 HydrophobicContact CD1-CG2 4.18Å; L87-T199 HydrophobicContact CD1-CG2 4.04Å; L87-F201 HydrophobicContact CD1-CB 4.3Å; L87-F201 HydrophobicContact CD1-CD1 3.29Å; L87-F201 HydrophobicContact CD1-CD2 4.25Å; L87-F201 HydrophobicContact CD1-CE1 3.47Å; L87-F201 VanDerWaalsContact CD1-CE1 3.47Å; L87-F201 HydrophobicContact CD1-CE2 4.35Å; L87-F201 HydrophobicContact CD1-CG 3.72Å; L87-F201 HydrophobicContact CD1-CZ 3.98Å; L87-F201 HydrophobicContact CD2-CB 4.24Å; L87-F201 HydrophobicContact CD2-CD1 4.32Å; L87-F201 HydrophobicContact CD2-CD2 3.78Å; L87-F201 HydrophobicContact CD2-CE2 4.07Å; L87-F201 HydrophobicContact CD2-CG 3.88Å; L87-F201 HydrophobicContact CD2-CZ 4.47Å; L87-F201 HydrophobicContact CG-CD1 4.44Å; L87-F201 HydrophobicContact CG-CG 4.46Å; L87-L205 HydrophobicContact CD2-CD1 4.32Å
88	F	98.7	Very high	97.2	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	138.9	176.2	-62.3	-96.2	0	0	0	110.2	Y70 A71 I73 F86 V103 K104 L105 F119 V125 I151 M155	Y70-F88 WeakPolarHBondContact CA-O 3.44Å; A71-F88 HydrophobicContact CB-CB 4.32Å; A71-F88 PolarHBondContact N-O 3.04Å; A71-F88 PolarHBondContact O-N 3.42Å; I73-F88 HydrophobicContact CB-CD2 4.49Å; I73-F88 HydrophobicContact CB-CE2 4.01Å; I73-F88 HydrophobicContact CD1-CD2 4.01Å; I73-F88 HydrophobicContact CD1-CE2 3.7Å; I73-F88 HydrophobicContact CD1-CZ 4.35Å; I73-F88 HydrophobicContact CG1-CD2 4.07Å; I73-F88 HydrophobicContact CG1-CE2 3.93Å; F86-F88 HydrophobicContact CB-CD2 4.49Å; F86-F88 HydrophobicContact CB-CE2 3.62Å; F86-F88 HydrophobicContact CB-CZ 4.17Å; F86-F88 WeakPolarHBondContact O-CD2 3.48Å; F88-V103 HydrophobicContact CB-CG1 4.31Å; F88-V103 HydrophobicContact CD1-CG1 3.93Å; F88-K104 CarbonylContact C-O 3.53Å; F88-K104 VanDerWaalsContact CA-O 3.24Å; F88-K104 WeakPolarHBondContact CA-O 3.19Å; F88-L105 HydrophobicContact CD1-CB 4.11Å; F88-L105 HydrophobicContact CD1-CD1 4.23Å; F88-L105 HydrophobicContact CE1-CB 3.87Å; F88-L105 HydrophobicContact CE1-CD1 3.74Å; F88-L105 HydrophobicContact CE1-CG 4.37Å; F88-L105 HydrophobicContact CE2-CD1 4.19Å; F88-L105 HydrophobicContact CZ-CD1 3.72Å; F88-F119 HydrophobicContact CE1-CE1 4.45Å; F88-F119 HydrophobicContact CZ-CZ 4.44Å; F88-V125 HydrophobicContact CD1-CG2 4.22Å; F88-V125 HydrophobicContact CE1-CG2 3.94Å; F88-I151 HydrophobicContact CD1-CG2 4.47Å; F88-I151 HydrophobicContact CE1-CG2 3.68Å; F88-I151 HydrophobicContact CE2-CG2 4.15Å; F88-I151 HydrophobicContact CZ-CG2 3.49Å; F88-I151 VanDerWaalsContact CZ-CG2 3.49Å; F88-M155 HydrophobicContact CE2-CE 4.08Å; F88-M155 HydrophobicContact CZ-CE 3.83Å
89	L	98.5	Very high	97	Very high	4 Å²	4	24.8 Å²	24.8	2%	0.021	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	127.1	165.2	-177.7	62.8	0	0	0	108.3	P25 E26 K68 Y70 V103 K104 M106	P25-L89 HydrophobicContact CB-CG 4.4Å; P25-L89 HydrophobicContact CG-CB 4.27Å; P25-L89 HydrophobicContact CG-CD2 4.07Å; P25-L89 HydrophobicContact CG-CG 4.01Å; E26-L89 HydrophobicContact CG-CD2 3.55Å; K68-L89 HydrophobicContact CD-CD1 4.28Å; K68-L89 HydrophobicContact CG-CD1 3.65Å; Y70-L89 HydrophobicContact CD1-CD1 4.12Å; Y70-L89 HydrophobicContact CE1-CD1 3.95Å; L89-V103 CarbonylContact O-C 3.53Å; L89-V103 WeakPolarHBondContact O-CA 3.46Å; L89-K104 PolarHBondContact N-O 3.46Å; L89-K104 PolarHBondContact O-N 3.46Å; L89-M106 HydrophobicContact CB-CG 4.06Å; L89-M106 HydrophobicContact CB-SD 3.83Å
90	I	98.3	Very high	96.8	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.005	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	138.3	178	-56.2	178.2	0	0	0	107.8	K68 I69 A71 P101 K102 V103 L144 L148	K68-I90 CarbonylContact C-O 3.56Å; K68-I90 WeakPolarHBondContact CA-O 3.28Å; I69-I90 HydrophobicContact CB-CB 4.26Å; I69-I90 PolarHBondContact N-O 2.95Å; I69-I90 PolarHBondContact O-N 3.26Å; A71-I90 HydrophobicContact CB-CD1 4.07Å; I90-P101 HydrophobicContact CG2-CB 3.79Å; I90-K102 CarbonylContact C-O 3.44Å; I90-K102 VanDerWaalsContact CA-O 3.31Å; I90-K102 WeakPolarHBondContact CA-O 3.37Å; I90-V103 HydrophobicContact CG1-CG1 4.25Å; I90-V103 HydrophobicContact CG1-CG2 4.15Å; I90-V103 HydrophobicContact CG2-CG2 4.35Å; I90-L144 HydrophobicContact CG2-CD2 4.04Å; I90-L148 HydrophobicContact CD1-CD2 3.81Å; I90-L148 HydrophobicContact CD1-CG 4.29Å
91	R	96.5	Very high	96.8	Very high	36 Å²	36	25.4 Å²	25.4	14%	0.136	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	120	168.3	-175.4	166.5	-80.4	146.9	-8.6	111.3	P25 D65 T67 P101 K102	P25-R91 HydrophobicContact CB-CB 3.52Å; P25-R91 WeakPolarHBondContact O-CD 3.38Å; P25-R91 PolarHBondContact O-NH1 2.88Å; D65-R91 IonicContact OD2-CZ 3.95Å; D65-R91 IonicContact OD2-NE 3.04Å; D65-R91 IonicContact OD2-NH2 2.64Å; D65-R91 PolarHBondContact OD2-NH2 3.43Å; T67-R91 CarbonylContact O-C 3.54Å; T67-R91 VanDerWaalsContact O-CA 3.26Å; T67-R91 WeakPolarHBondContact O-CA 3.32Å; R91-P101 WeakPolarHBondContact O-CA 3.41Å; R91-K102 PolarHBondContact N-O 3.34Å; R91-K102 PolarHBondContact O-N 3.36Å
92	C	96.4	Very high	96.7	Very high	2 Å²	2	28.4 Å²	28.4	1%	0.014	15%	0.146	C	C	.	.			trans	-76.8	129.8	171.5	-65.8	0	0	0	0	109.7	I42 T67 Y96	I42-C92 HydrophobicContact CD1-CB 3.73Å; I42-C92 HydrophobicContact CG1-CB 4.02Å; T67-C92 WeakPolarHBondContact CB-O 3.31Å; T67-C92 PolarHBondContact O-N 3.37Å; C92-Y96 HydrophobicContact CB-CD1 4.25Å; C92-Y96 HydrophobicContact CB-CD2 4.19Å; C92-Y96 HydrophobicContact CB-CG 3.85Å
93	P	93.7	Very high	96.6	Very high	24 Å²	24	27.5 Å²	27.5	16%	0.156	14%	0.142	C	C	.	.			trans	-70.4	163	173.5	31.5	-37	0	0	0	111.2	C38 E95 Y96 M99 P100	C38-P93 PolarHBondContact SG-O 3.32Å; P93-E95 PolarHBondContact O-N 3.39Å; P93-E95 VanDerWaalsContact O-N 3.11Å; P93-Y96 WeakPolarHBondContact O-CB 3.47Å; P93-Y96 PolarHBondContact O-N 2.94Å; P93-M99 HydrophobicContact CG-CB 3.76Å; P93-P100 WeakPolarHBondContact CD-O 3.41Å; P93-P100 WeakPolarHBondContact CG-O 3.29Å
94	P	92.1	Very high	96.6	Very high	39 Å²	39	29.1 Å²	29.1	25%	0.253	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-27.8	176.1	-26.5	36.5	0	0	0	114	V32 Y96	V32-P94 HydrophobicContact CB-CB 4.48Å; V32-P94 HydrophobicContact CB-CG 4.02Å; V32-P94 HydrophobicContact CG1-CB 4.24Å; V32-P94 HydrophobicContact CG1-CG 4.32Å; V32-P94 VanDerWaalsContact O-CG 3.23Å; V32-P94 WeakPolarHBondContact O-CG 3.49Å; P94-Y96 VanDerWaalsContact C-N 3.31Å
95	E	92.4	Very high	96.6	Very high	101 Å²	101	29.1 Å²	29.1	47%	0.472	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-1.4	177.2	-56.6	81.4	179.8	0	0	113.3	P93 L98 M99	P93-E95 PolarHBondContact O-N 3.39Å; P93-E95 VanDerWaalsContact O-N 3.11Å; E95-L98 WeakPolarHBondContact O-CA 3.16Å; E95-L98 VanDerWaalsContact O-CB 3.22Å; E95-L98 WeakPolarHBondContact O-CB 3.39Å; E95-L98 PolarHBondContact O-N 2.88Å; E95-M99 HydrophobicContact CB-CB 4.18Å; E95-M99 HydrophobicContact CB-CG 3.92Å; E95-M99 PolarHBondContact O-N 3.29Å
96	Y	96	Very high	96.6	Very high	4 Å²	4	31.1 Å²	31.1	2%	0.016	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	130	178	-173.9	-99.6	0	0	0	110.5	C38 R41 I42 D45 C92 P93 P94 M99 W138	C38-Y96 WeakPolarHBondContact CA-O 3.43Å; R41-Y96 HydrophobicContact CB-CD1 4.46Å; R41-Y96 HydrophobicContact CG-CD1 3.91Å; R41-Y96 HydrophobicContact CG-CE1 3.63Å; I42-Y96 HydrophobicContact CG1-CD1 3.77Å; I42-Y96 HydrophobicContact CG1-CE1 4.09Å; D45-Y96 PolarHBondContact OD2-OH 2.96Å; C92-Y96 HydrophobicContact CB-CD1 4.25Å; C92-Y96 HydrophobicContact CB-CD2 4.19Å; C92-Y96 HydrophobicContact CB-CG 3.85Å; P93-Y96 WeakPolarHBondContact O-CB 3.47Å; P93-Y96 PolarHBondContact O-N 2.94Å; P94-Y96 VanDerWaalsContact C-N 3.31Å; Y96-M99 WeakPolarHBondContact CD2-O 3.35Å; Y96-W138 HydrophobicContact CD2-CZ2 4.18Å; Y96-W138 AromaticContact CE2-CH2 3.6Å; Y96-W138 HydrophobicContact CE2-CH2 3.6Å; Y96-W138 AromaticContact CE2-CZ2 3.48Å; Y96-W138 HydrophobicContact CE2-CZ2 3.48Å; Y96-W138 VanDerWaalsContact CE2-CZ2 3.48Å
97	P	96	Very high	96.6	Very high	27 Å²	27	31.2 Å²	31.2	18%	0.175	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	cis	-99.1	12.4	13.3	40.6	-37.6	0	0	0	114.8	R41 M99 W138 P140	R41-P97 HydrophobicContact CG-CB 4.02Å; R41-P97 HydrophobicContact CG-CG 3.87Å; R41-P97 VanDerWaalsContact NH1-CB 3.3Å; R41-P97 VanDerWaalsContact NH1-CG 3.28Å; P97-M99 VanDerWaalsContact C-N 3.26Å; P97-M99 PolarHBondContact O-N 3.44Å; P97-W138 HydrophobicContact CB-CZ2 4.29Å; P97-W138 PolarHBondContact O-NE1 3.47Å; P97-P140 HydrophobicContact CB-CB 4.38Å; P97-P140 HydrophobicContact CG-CB 4.25Å; P97-P140 WeakPolarHBondContact O-CA 3.3Å
98	L	95	Very high	96.5	Very high	127 Å²	127	31.8 Å²	31.8	67%	0.665	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-34.1	175.9	-60.7	175.3	0	0	0	111.6	E95 P140	E95-L98 WeakPolarHBondContact O-CA 3.16Å; E95-L98 VanDerWaalsContact O-CB 3.22Å; E95-L98 WeakPolarHBondContact O-CB 3.39Å; E95-L98 PolarHBondContact O-N 2.88Å; L98-P140 HydrophobicContact CD2-CG 4.25Å
99	M	94	Very high	96.4	Very high	107 Å²	107	32.3 Å²	32.3	53%	0.527	17%	0.169	S	C	.	.	S	Bend	trans	-110.5	148.2	172.4	-68.1	-65.7	160	0	0	110.8	P93 E95 Y96 P97	P93-M99 HydrophobicContact CG-CB 3.76Å; E95-M99 HydrophobicContact CB-CB 4.18Å; E95-M99 HydrophobicContact CB-CG 3.92Å; E95-M99 PolarHBondContact O-N 3.29Å; Y96-M99 WeakPolarHBondContact CD2-O 3.35Å; P97-M99 VanDerWaalsContact C-N 3.26Å; P97-M99 PolarHBondContact O-N 3.44Å
100	P	96	Very high	96.2	Very high	32 Å²	32	38.1 Å²	38.1	21%	0.208	20%	0.2	C	C	.	.	P	Polyproline II helix	trans	-66.3	158.3	178.2	26.4	-33.3	0	0	0	112.1	P93 W138	P93-P100 WeakPolarHBondContact CD-O 3.41Å; P93-P100 WeakPolarHBondContact CG-O 3.29Å; P100-W138 HydrophobicContact CB-CB 3.83Å; P100-W138 HydrophobicContact CB-CD2 3.69Å; P100-W138 HydrophobicContact CB-CE3 3.98Å; P100-W138 HydrophobicContact CB-CG 3.6Å; P100-W138 HydrophobicContact CG-CB 4.11Å; P100-W138 HydrophobicContact CG-CG 4.17Å
101	P	96.9	Very high	96	Very high	2 Å²	2	39.8 Å²	39.8	1%	0.013	22%	0.217	C	C	.	.	P	Polyproline II helix	trans	-68.9	153.2	167.1	33.1	-34	0	0	0	110.6	I90 R91 L130 L144 V147	I90-P101 HydrophobicContact CG2-CB 3.79Å; R91-P101 WeakPolarHBondContact O-CA 3.41Å; P101-L130 HydrophobicContact CG-CD2 4.3Å; P101-L144 HydrophobicContact CB-CD2 4.27Å; P101-L144 HydrophobicContact CG-CD2 4.14Å; P101-V147 HydrophobicContact CG-CG2 4.41Å
102	K	97.1	Very high	96	Very high	63 Å²	63	42 Å²	42	27%	0.274	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	141.6	165.7	-68.3	-175.4	-172.8	179.5	0	109.5	A21 S22 W23 P25 I90 R91	A21-K102 PolarHBondContact O-NZ 2.69Å; S22-K102 WeakPolarHBondContact O-CE 3.43Å; W23-K102 WeakPolarHBondContact O-CB 3.16Å; P25-K102 HydrophobicContact CB-CB 3.92Å; I90-K102 CarbonylContact C-O 3.44Å; I90-K102 VanDerWaalsContact CA-O 3.31Å; I90-K102 WeakPolarHBondContact CA-O 3.37Å; R91-K102 PolarHBondContact N-O 3.34Å; R91-K102 PolarHBondContact O-N 3.36Å
103	V	98.3	Very high	96	Very high	6 Å²	6	42 Å²	42	4%	0.036	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	135.3	-176.6	-175.4	0	0	0	0	110.5	F88 L89 I90 V125 L130 V147 I151	F88-V103 HydrophobicContact CB-CG1 4.31Å; F88-V103 HydrophobicContact CD1-CG1 3.93Å; L89-V103 CarbonylContact O-C 3.53Å; L89-V103 WeakPolarHBondContact O-CA 3.46Å; I90-V103 HydrophobicContact CG1-CG1 4.25Å; I90-V103 HydrophobicContact CG1-CG2 4.15Å; I90-V103 HydrophobicContact CG2-CG2 4.35Å; V103-V125 HydrophobicContact CG1-CG2 4.29Å; V103-L130 HydrophobicContact CB-CD1 3.93Å; V103-L130 HydrophobicContact CG2-CD1 3.93Å; V103-L130 HydrophobicContact CG2-CD2 3.72Å; V103-V147 HydrophobicContact CG2-CG1 4.35Å; V103-I151 HydrophobicContact CG1-CD1 3.89Å
104	K	98.1	Very high	96.1	Very high	34 Å²	34	41.7 Å²	41.7	15%	0.148	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	127.7	174.5	177.6	173.7	-168.5	166.9	0	110.6	D24 P25 E26 F88 L89 M106 G123	D24-K104 IonicContact OD1-NZ 3.86Å; D24-K104 IonicContact OD2-NZ 3.8Å; D24-K104 PolarHBondContact OD2-NZ 3.04Å; P25-K104 HydrophobicContact CG-CB 3.59Å; E26-K104 IonicContact OE2-NZ 3.9Å; E26-K104 PolarHBondContact OE2-NZ 2.77Å; F88-K104 CarbonylContact C-O 3.53Å; F88-K104 VanDerWaalsContact CA-O 3.24Å; F88-K104 WeakPolarHBondContact CA-O 3.19Å; L89-K104 PolarHBondContact N-O 3.46Å; L89-K104 PolarHBondContact O-N 3.46Å; K104-M106 PolarHBondContact O-N 3.22Å; K104-G123 CarbonylContact C-O 3.48Å; K104-G123 WeakPolarHBondContact CA-O 3.38Å
105	L	98.6	Very high	96.4	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.005	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	120.5	164.1	174.1	64.7	0	0	0	108.8	F86 F88 T107 T108 F115 F119 G123 V125	F86-L105 HydrophobicContact CB-CD1 4.28Å; F86-L105 HydrophobicContact CD1-CD1 4.19Å; F88-L105 HydrophobicContact CD1-CB 4.11Å; F88-L105 HydrophobicContact CD1-CD1 4.23Å; F88-L105 HydrophobicContact CE1-CB 3.87Å; F88-L105 HydrophobicContact CE1-CD1 3.74Å; F88-L105 HydrophobicContact CE1-CG 4.37Å; F88-L105 HydrophobicContact CE2-CD1 4.19Å; F88-L105 HydrophobicContact CZ-CD1 3.72Å; L105-T107 WeakPolarHBondContact CG-O 3.38Å; L105-T108 HydrophobicContact CD2-CG2 4.22Å; L105-T108 HydrophobicContact CG-CG2 4.05Å; L105-T108 WeakPolarHBondContact O-CG2 3.5Å; L105-F115 HydrophobicContact CD2-CD2 4.19Å; L105-F119 HydrophobicContact CD2-CB 3.77Å; L105-F119 HydrophobicContact CD2-CG 4.13Å; L105-G123 PolarHBondContact N-O 3Å; L105-G123 WeakPolarHBondContact O-CA 3.4Å; L105-V125 HydrophobicContact CB-CG2 4.17Å
106	M	98.4	Very high	96.6	Very high	41 Å²	41	35 Å²	35	20%	0.202	20%	0.196	C	C	.	.			trans	-88.4	-34.1	177.4	-58	174.2	67.1	0	0	111.3	Y70 L87 L89 K104 T108 T199 T200	Y70-M106 HydrophobicContact CD1-SD 4.13Å; Y70-M106 HydrophobicContact CE1-CE 4.31Å; Y70-M106 HydrophobicContact CE1-SD 4.38Å; L87-M106 HydrophobicContact CB-CB 4.12Å; L87-M106 HydrophobicContact CB-SD 4.42Å; L87-M106 WeakPolarHBondContact O-CB 3.21Å; L87-M106 PolarHBondContact O-N 3.36Å; L89-M106 HydrophobicContact CB-CG 4.06Å; L89-M106 HydrophobicContact CB-SD 3.83Å; K104-M106 PolarHBondContact O-N 3.22Å; M106-T108 PolarHBondContact O-N 3.1Å; M106-T199 HydrophobicContact CB-CG2 4.07Å; M106-T199 HydrophobicContact CE-CG2 3.84Å; M106-T200 VanDerWaalsContact CE-O 3.28Å; M106-T200 WeakPolarHBondContact CE-O 3.43Å
107	T	98.3	Very high	96.6	Very high	3 Å²	3	34.9 Å²	34.9	2%	0.018	20%	0.195	C	C	.	.			trans	-73.4	86.3	177.5	-54.4	0	0	0	0	110.1	F85 F86 L87 L105 F115 C189 A190 V194	F85-T107 PolarHBondContact O-OG1 3.21Å; F86-T107 HydrophobicContact CD1-CG2 4.38Å; L87-T107 PolarHBondContact N-OG1 2.93Å; L105-T107 WeakPolarHBondContact CG-O 3.38Å; T107-F115 HydrophobicContact CG2-CE2 4.35Å; T107-F115 HydrophobicContact CG2-CZ 4.48Å; T107-F115 WeakPolarHBondContact O-CD2 3.43Å; T107-F115 WeakPolarHBondContact O-CE2 3.22Å; T107-C189 HydrophobicContact CG2-CB 4.45Å; T107-A190 HydrophobicContact CG2-CB 3.79Å; T107-V194 HydrophobicContact CG2-CG2 4.45Å
108	T	97.3	Very high	96.7	Very high	14 Å²	14	34.2 Å²	34.2	9%	0.086	19%	0.19	C	C	.	.	S	Bend	trans	-130.5	8.7	-177.2	59.8	0	0	0	0	113.5	L105 M106 N110 G111 T112 V113 S121	L105-T108 HydrophobicContact CD2-CG2 4.22Å; L105-T108 HydrophobicContact CG-CG2 4.05Å; L105-T108 WeakPolarHBondContact O-CG2 3.5Å; M106-T108 PolarHBondContact O-N 3.1Å; T108-N110 VanDerWaalsContact C-N 3.31Å; T108-N110 PolarHBondContact O-N 3.46Å; T108-G111 PolarHBondContact O-N 2.95Å; T108-G111 PolarHBondContact OG1-N 3.46Å; T108-G111 VanDerWaalsContact OG1-N 3.16Å; T108-T112 PolarHBondContact O-N 2.84Å; T108-V113 PolarHBondContact O-N 3.35Å; T108-S121 VanDerWaalsContact CB-O 3.22Å; T108-S121 WeakPolarHBondContact CB-O 3.41Å; T108-S121 WeakPolarHBondContact CG2-O 3.4Å
109	G	96	Very high	96.8	Very high	11 Å²	11	28.1 Å²	28.1	11%	0.113	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.9	43.6	-173.5	0	0	0	0	0	112.2	G111 T112 C189	G109-G111 PolarHBondContact O-N 3.01Å; G109-T112 WeakPolarHBondContact O-CB 3.39Å; G109-T112 WeakPolarHBondContact O-CG2 3.49Å; G109-T112 PolarHBondContact O-N 2.82Å; G109-T112 PolarHBondContact O-OG1 3.42Å; G109-C189 WeakPolarHBondContact CA-SG 3.27Å
110	N	94.8	Very high	96.9	Very high	125 Å²	125	23.6 Å²	23.6	67%	0.668	14%	0.136	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.3	44.1	-173.3	-59	-29.6	0	0	0	113.4	T108	T108-N110 VanDerWaalsContact C-N 3.31Å; T108-N110 PolarHBondContact O-N 3.46Å
111	G	95.1	Very high	96.8	Very high	37 Å²	37	24.2 Å²	24.2	38%	0.381	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.6	10.1	178.1	0	0	0	0	0	115.5	T108 G109 S121	T108-G111 PolarHBondContact O-N 2.95Å; T108-G111 PolarHBondContact OG1-N 3.46Å; T108-G111 VanDerWaalsContact OG1-N 3.16Å; G109-G111 PolarHBondContact O-N 3.01Å; G111-S121 VanDerWaalsContact CA-O 3.3Å; G111-S121 WeakPolarHBondContact CA-O 3.26Å; G111-S121 WeakPolarHBondContact O-CB 3.47Å
112	T	94.9	Very high	96.7	Very high	82 Å²	82	26.7 Å²	26.7	50%	0.503	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.8	-14.5	-175.4	63.6	0	0	0	0	114	T108 G109	T108-T112 PolarHBondContact O-N 2.84Å; G109-T112 WeakPolarHBondContact O-CB 3.39Å; G109-T112 WeakPolarHBondContact O-CG2 3.49Å; G109-T112 PolarHBondContact O-N 2.82Å; G109-T112 PolarHBondContact O-OG1 3.42Å
113	V	96.7	Very high	96.7	Very high	1 Å²	1	23.7 Å²	23.7	1%	0.006	14%	0.141	C	C	.	.			trans	-120.4	119.4	-173.6	-170.4	0	0	0	0	111.3	T108 F115 S121 E185	T108-V113 PolarHBondContact O-N 3.35Å; V113-F115 HydrophobicContact CB-CD2 4.12Å; V113-F115 HydrophobicContact CB-CE2 3.74Å; V113-F115 HydrophobicContact CB-CZ 4.16Å; V113-F115 HydrophobicContact CG1-CD1 3.98Å; V113-F115 HydrophobicContact CG1-CD2 3.66Å; V113-F115 HydrophobicContact CG1-CE1 3.85Å; V113-F115 HydrophobicContact CG1-CE2 3.5Å; V113-F115 HydrophobicContact CG1-CG 3.91Å; V113-F115 HydrophobicContact CG1-CZ 3.62Å; V113-S121 VanDerWaalsContact O-CA 3.28Å; V113-S121 WeakPolarHBondContact O-CA 3.28Å; V113-E185 HydrophobicContact CG1-CB 3.89Å; V113-E185 HydrophobicContact CG1-CG 4.16Å; V113-E185 WeakPolarHBondContact CG2-OE2 3.43Å
114	R	96.9	Very high	96.7	Very high	18 Å²	18	23.4 Å²	23.4	7%	0.068	14%	0.139	C	C	.	.			trans	-91.7	111.3	161.1	-179.4	-174.3	-173.4	-166.8	-3.9	107	S11 N116 P117 F119 E163 D241 R243	S11-R114 PolarHBondContact OG-NH2 2.95Å; R114-N116 WeakPolarHBondContact CG-O 3.09Å; R114-P117 PolarHBondContact NH2-O 3.24Å; R114-P117 VanDerWaalsContact NH2-O 3.11Å; R114-F119 WeakPolarHBondContact CA-O 3.35Å; R114-F119 VanDerWaalsContact CG-O 3.23Å; R114-F119 WeakPolarHBondContact CG-O 3.48Å; R114-E163 IonicContact CZ-OE2 3.97Å; R114-E163 IonicContact NH1-OE2 3.16Å; R114-E163 IonicContact NH2-OE2 2.77Å; R114-E163 PolarHBondContact NH2-OE2 3.45Å; R114-D241 WeakPolarHBondContact CD-OD2 3.36Å; R114-D241 IonicContact NH1-OD2 2.99Å; R114-R243 PolarHBondContact O-NH2 3.34Å
115	F	97.8	Very high	96.6	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	13%	0.133	C	C	.	.			trans	-82.9	-27.6	-173	-85.9	-76.7	0	0	0	113.5	Y81 F86 L105 T107 V113 F119 Y178 I182 E185 C189	Y81-F115 HydrophobicContact CE1-CB 4.33Å; Y81-F115 PolarHBondContact OH-O 2.94Å; F86-F115 AromaticContact CE1-CD1 3.74Å; F86-F115 HydrophobicContact CE1-CD1 3.74Å; F86-F115 HydrophobicContact CE1-CD2 4.24Å; F86-F115 AromaticContact CE1-CE1 3.85Å; F86-F115 HydrophobicContact CE1-CE1 3.85Å; F86-F115 HydrophobicContact CE1-CE2 4.34Å; F86-F115 AromaticContact CE1-CG 3.92Å; F86-F115 HydrophobicContact CE1-CG 3.92Å; F86-F115 HydrophobicContact CE1-CZ 4.13Å; F86-F115 HydrophobicContact CZ-CD1 4.23Å; F86-F115 HydrophobicContact CZ-CE1 4.25Å; L105-F115 HydrophobicContact CD2-CD2 4.19Å; T107-F115 HydrophobicContact CG2-CE2 4.35Å; T107-F115 HydrophobicContact CG2-CZ 4.48Å; T107-F115 WeakPolarHBondContact O-CD2 3.43Å; T107-F115 WeakPolarHBondContact O-CE2 3.22Å; V113-F115 HydrophobicContact CB-CD2 4.12Å; V113-F115 HydrophobicContact CB-CE2 3.74Å; V113-F115 HydrophobicContact CB-CZ 4.16Å; V113-F115 HydrophobicContact CG1-CD1 3.98Å; V113-F115 HydrophobicContact CG1-CD2 3.66Å; V113-F115 HydrophobicContact CG1-CE1 3.85Å; V113-F115 HydrophobicContact CG1-CE2 3.5Å; V113-F115 HydrophobicContact CG1-CG 3.91Å; V113-F115 HydrophobicContact CG1-CZ 3.62Å; F115-F119 HydrophobicContact CB-CB 4.12Å; F115-F119 HydrophobicContact CB-CD2 4.24Å; F115-F119 PolarHBondContact N-O 3.36Å; F115-F119 VanDerWaalsContact N-O 3.13Å; F115-Y178 PolarHBondContact O-OH 3.18Å; F115-I182 WeakPolarHBondContact O-CD1 3.4Å; F115-E185 HydrophobicContact CE1-CB 4Å; F115-C189 HydrophobicContact CE2-CB 4.39Å; F115-C189 HydrophobicContact CZ-CB 3.75Å
116	N	97.4	Very high	96.5	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	13%	0.132	C	C	.	.	B	Isolated β-bridge	trans	-151.1	154.7	-173.3	-169.9	-80.6	0	0	0	107.8	Y81 R114 N118 F119 L154 P159 N162 Y178	Y81-N116 PolarHBondContact OH-ND2 2.93Å; R114-N116 WeakPolarHBondContact CG-O 3.09Å; N116-N118 PolarHBondContact O-N 3.12Å; N116-N118 WeakPolarHBondContact OD1-CB 3.41Å; N116-N118 PolarHBondContact OD1-N 2.86Å; N116-N118 PolarHBondContact OD1-OD1 2.89Å; N116-F119 HydrophobicContact CB-CB 3.74Å; N116-F119 HydrophobicContact CB-CD2 3.44Å; N116-F119 VanDerWaalsContact CB-CD2 3.44Å; N116-F119 HydrophobicContact CB-CE2 4.17Å; N116-F119 HydrophobicContact CB-CG 3.72Å; N116-F119 CarbonylContact O-C 3.58Å; N116-F119 PolarHBondContact O-N 2.95Å; N116-F119 VanDerWaalsContact O-O 3.13Å; N116-L154 PolarHBondContact ND2-O 3.01Å; N116-P159 WeakPolarHBondContact ND2-CB 3.47Å; N116-N162 PolarHBondContact ND2-ND2 3.26Å; N116-N162 PolarHBondContact OD1-ND2 2.77Å; N116-N162 VanDerWaalsContact OD1-ND2 3.16Å; N116-Y178 WeakPolarHBondContact CA-OH 3.34Å; N116-Y178 PolarHBondContact N-OH 2.73Å
117	P	96	Very high	96.3	Very high	1 Å²	1	20.9 Å²	20.9	1%	0.006	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.3	-31.3	167.4	-33.1	39.8	0	0	0	113.6	R114 Y120 P159 N162 E163 F239	R114-P117 PolarHBondContact NH2-O 3.24Å; R114-P117 VanDerWaalsContact NH2-O 3.11Å; P117-Y120 WeakPolarHBondContact O-CE2 3.47Å; P117-P159 VanDerWaalsContact CD-O 3.32Å; P117-P159 WeakPolarHBondContact CD-O 3.28Å; P117-P159 WeakPolarHBondContact CG-O 3.45Å; P117-N162 HydrophobicContact CB-CB 4.02Å; P117-N162 HydrophobicContact CG-CB 3.93Å; P117-E163 HydrophobicContact CB-CB 3.89Å; P117-E163 HydrophobicContact CG-CB 3.84Å; P117-F239 HydrophobicContact CG-CE2 4.26Å; P117-F239 HydrophobicContact CG-CZ 4.31Å
118	N	96.6	Very high	96.1	Very high	13 Å²	13	21.6 Å²	21.6	7%	0.07	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.3	-5.9	176.6	-61	86.1	0	0	0	115.5	N116 V125 C126 L154	N116-N118 PolarHBondContact O-N 3.12Å; N116-N118 WeakPolarHBondContact OD1-CB 3.41Å; N116-N118 PolarHBondContact OD1-N 2.86Å; N116-N118 PolarHBondContact OD1-OD1 2.89Å; N118-V125 CarbonylContact O-C 3.55Å; N118-V125 WeakPolarHBondContact O-CA 3.23Å; N118-C126 HydrophobicContact CB-CB 4.24Å; N118-C126 PolarHBondContact ND2-O 2.91Å; N118-C126 PolarHBondContact O-N 2.81Å; N118-L154 HydrophobicContact CB-CD1 3.85Å; N118-L154 HydrophobicContact CB-CD2 4.3Å
119	F	97.4	Very high	96	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	13%	0.133	C	C	.	.	B	Isolated β-bridge	trans	-119.6	96	-179.7	-62.4	-26.3	0	0	0	110.8	F88 L105 R114 F115 N116 V125 I151 L154 M155	F88-F119 HydrophobicContact CE1-CE1 4.45Å; F88-F119 HydrophobicContact CZ-CZ 4.44Å; L105-F119 HydrophobicContact CD2-CB 3.77Å; L105-F119 HydrophobicContact CD2-CG 4.13Å; R114-F119 WeakPolarHBondContact CA-O 3.35Å; R114-F119 VanDerWaalsContact CG-O 3.23Å; R114-F119 WeakPolarHBondContact CG-O 3.48Å; F115-F119 HydrophobicContact CB-CB 4.12Å; F115-F119 HydrophobicContact CB-CD2 4.24Å; F115-F119 PolarHBondContact N-O 3.36Å; F115-F119 VanDerWaalsContact N-O 3.13Å; N116-F119 HydrophobicContact CB-CB 3.74Å; N116-F119 HydrophobicContact CB-CD2 3.44Å; N116-F119 VanDerWaalsContact CB-CD2 3.44Å; N116-F119 HydrophobicContact CB-CE2 4.17Å; N116-F119 HydrophobicContact CB-CG 3.72Å; N116-F119 CarbonylContact O-C 3.58Å; N116-F119 PolarHBondContact O-N 2.95Å; N116-F119 VanDerWaalsContact O-O 3.13Å; F119-V125 HydrophobicContact CD1-CB 4.49Å; F119-V125 HydrophobicContact CD1-CG1 4.07Å; F119-V125 HydrophobicContact CD1-CG2 4.08Å; F119-V125 HydrophobicContact CE1-CG1 3.83Å; F119-V125 HydrophobicContact CE1-CG2 4.33Å; F119-I151 HydrophobicContact CE1-CG2 3.96Å; F119-I151 HydrophobicContact CZ-CG2 3.8Å; F119-L154 HydrophobicContact CE1-CB 4.45Å; F119-L154 HydrophobicContact CE1-CD1 3.72Å; F119-L154 HydrophobicContact CE2-CB 4.49Å; F119-L154 HydrophobicContact CZ-CB 3.93Å; F119-L154 HydrophobicContact CZ-CD1 4Å; F119-M155 HydrophobicContact CE2-CE 3.62Å; F119-M155 HydrophobicContact CE2-CG 3.73Å; F119-M155 HydrophobicContact CZ-CE 3.94Å; F119-M155 HydrophobicContact CZ-CG 4.27Å
120	Y	95.4	Very high	96	Very high	11 Å²	11	21.8 Å²	21.8	4%	0.043	13%	0.132	C	C	.	.			trans	-78.6	153.4	-173.2	-72.5	-114.9	0	0	0	111	S11 F12 F15 P117 N122 G123 K124 C126	S11-Y120 WeakPolarHBondContact CB-OH 3.37Å; S11-Y120 PolarHBondContact O-OH 3.13Å; S11-Y120 PolarHBondContact OG-OH 3.47Å; F12-Y120 PolarHBondContact N-OH 2.7Å; F15-Y120 HydrophobicContact CB-CE1 3.82Å; F15-Y120 HydrophobicContact CD1-CE1 4.48Å; F15-Y120 AromaticContact CD2-CD1 3.5Å; F15-Y120 HydrophobicContact CD2-CD1 3.5Å; F15-Y120 VanDerWaalsContact CD2-CD1 3.5Å; F15-Y120 AromaticContact CD2-CE1 3.46Å; F15-Y120 HydrophobicContact CD2-CE1 3.46Å; F15-Y120 VanDerWaalsContact CD2-CE1 3.46Å; F15-Y120 HydrophobicContact CD2-CG 4.23Å; F15-Y120 AromaticContact CE2-CD1 3.71Å; F15-Y120 HydrophobicContact CE2-CD1 3.71Å; F15-Y120 HydrophobicContact CE2-CE1 4.14Å; F15-Y120 HydrophobicContact CE2-CG 4.36Å; F15-Y120 HydrophobicContact CG-CD1 4.12Å; F15-Y120 AromaticContact CG-CE1 3.68Å; F15-Y120 HydrophobicContact CG-CE1 3.68Å; F15-Y120 HydrophobicContact CZ-CD1 4.47Å; P117-Y120 WeakPolarHBondContact O-CE2 3.47Å; Y120-N122 VanDerWaalsContact CB-OD1 3.23Å; Y120-N122 WeakPolarHBondContact CB-OD1 3.39Å; Y120-N122 PolarHBondContact O-N 2.84Å; Y120-G123 WeakPolarHBondContact O-CA 3.28Å; Y120-G123 PolarHBondContact O-N 2.98Å; Y120-K124 HydrophobicContact CD2-CB 4.44Å; Y120-K124 HydrophobicContact CG-CB 4.3Å; Y120-K124 PolarHBondContact N-O 3.27Å; Y120-C126 HydrophobicContact CE2-CB 4.36Å; Y120-C126 WeakPolarHBondContact CE2-SG 3.29Å
121	S	95.5	Very high	95.9	Very high	45 Å²	45	18.3 Å²	18.3	32%	0.315	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-29.5	177.6	59.6	0	0	0	0	113.1	T108 G111 V113 G123	T108-S121 VanDerWaalsContact CB-O 3.22Å; T108-S121 WeakPolarHBondContact CB-O 3.41Å; T108-S121 WeakPolarHBondContact CG2-O 3.4Å; G111-S121 VanDerWaalsContact CA-O 3.3Å; G111-S121 WeakPolarHBondContact CA-O 3.26Å; G111-S121 WeakPolarHBondContact O-CB 3.47Å; V113-S121 VanDerWaalsContact O-CA 3.28Å; V113-S121 WeakPolarHBondContact O-CA 3.28Å; S121-G123 PolarHBondContact O-N 2.86Å
122	N	94.9	Very high	95.7	Very high	55 Å²	55	16.9 Å²	16.9	29%	0.294	11%	0.109	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.6	2.1	173.1	73.5	-10.3	0	0	0	114.4	F15 W23 Y120 K124	F15-N122 WeakPolarHBondContact CE2-ND2 3.45Å; F15-N122 WeakPolarHBondContact CZ-ND2 3.12Å; W23-N122 WeakPolarHBondContact CZ2-ND2 3.43Å; Y120-N122 VanDerWaalsContact CB-OD1 3.23Å; Y120-N122 WeakPolarHBondContact CB-OD1 3.39Å; Y120-N122 PolarHBondContact O-N 2.84Å; N122-K124 WeakPolarHBondContact OD1-CB 3.48Å; N122-K124 PolarHBondContact OD1-N 3.18Å
123	G	97.1	Very high	95.6	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	10%	0.096	C	C	.	.	S	Bend	trans	90.6	-1.6	179.2	0	0	0	0	0	115	K104 L105 Y120 S121 V125	K104-G123 CarbonylContact C-O 3.48Å; K104-G123 WeakPolarHBondContact CA-O 3.38Å; L105-G123 PolarHBondContact N-O 3Å; L105-G123 WeakPolarHBondContact O-CA 3.4Å; Y120-G123 WeakPolarHBondContact O-CA 3.28Å; Y120-G123 PolarHBondContact O-N 2.98Å; S121-G123 PolarHBondContact O-N 2.86Å; G123-V125 PolarHBondContact O-N 3.47Å
124	K	96.7	Very high	95.2	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.124	C	C	.	.	B	Isolated β-bridge	trans	-63.9	134	176.1	-170.7	-175.4	-171.3	179.4	0	110.8	F15 W23 Y120 N122	F15-K124 HydrophobicContact CD2-CD 3.57Å; F15-K124 HydrophobicContact CE2-CB 4.45Å; F15-K124 HydrophobicContact CE2-CD 3.91Å; W23-K124 HydrophobicContact CD2-CB 3.95Å; W23-K124 HydrophobicContact CD2-CD 4.07Å; W23-K124 HydrophobicContact CD2-CG 3.62Å; W23-K124 HydrophobicContact CE3-CB 3.8Å; W23-K124 HydrophobicContact CE3-CG 3.81Å; W23-K124 HydrophobicContact CG-CD 4.15Å; W23-K124 HydrophobicContact CG-CG 3.98Å; W23-K124 HydrophobicContact CH2-CB 3.85Å; W23-K124 HydrophobicContact CZ2-CB 3.96Å; W23-K124 HydrophobicContact CZ2-CG 4.41Å; W23-K124 HydrophobicContact CZ3-CB 3.76Å; W23-K124 HydrophobicContact CZ3-CG 4.3Å; Y120-K124 HydrophobicContact CD2-CB 4.44Å; Y120-K124 HydrophobicContact CG-CB 4.3Å; Y120-K124 PolarHBondContact N-O 3.27Å; N122-K124 WeakPolarHBondContact OD1-CB 3.48Å; N122-K124 PolarHBondContact OD1-N 3.18Å
125	V	97.1	Very high	94.9	Very high	1 Å²	1	23.3 Å²	23.3	1%	0.006	14%	0.144	C	C	.	.	B	Isolated β-bridge	trans	-106.6	120.6	171.3	-179.9	0	0	0	0	109.6	F88 V103 L105 N118 F119 G123 L130 T132 I151	F88-V125 HydrophobicContact CD1-CG2 4.22Å; F88-V125 HydrophobicContact CE1-CG2 3.94Å; V103-V125 HydrophobicContact CG1-CG2 4.29Å; L105-V125 HydrophobicContact CB-CG2 4.17Å; N118-V125 CarbonylContact O-C 3.55Å; N118-V125 WeakPolarHBondContact O-CA 3.23Å; F119-V125 HydrophobicContact CD1-CB 4.49Å; F119-V125 HydrophobicContact CD1-CG1 4.07Å; F119-V125 HydrophobicContact CD1-CG2 4.08Å; F119-V125 HydrophobicContact CE1-CG1 3.83Å; F119-V125 HydrophobicContact CE1-CG2 4.33Å; G123-V125 PolarHBondContact O-N 3.47Å; V125-L130 HydrophobicContact CB-CD1 4.28Å; V125-L130 HydrophobicContact CG1-CD1 4.07Å; V125-T132 WeakPolarHBondContact O-CB 3.42Å; V125-T132 PolarHBondContact O-OG1 2.98Å; V125-I151 HydrophobicContact CG1-CG1 4.23Å
126	C	95.8	Very high	94.7	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	18%	0.177	C	C	.	.			trans	-92.5	108.3	177	-72.4	0	0	0	0	110.9	N118 Y120 T132 W133	N118-C126 HydrophobicContact CB-CB 4.24Å; N118-C126 PolarHBondContact ND2-O 2.91Å; N118-C126 PolarHBondContact O-N 2.81Å; Y120-C126 HydrophobicContact CE2-CB 4.36Å; Y120-C126 WeakPolarHBondContact CE2-SG 3.29Å; C126-T132 WeakPolarHBondContact CA-OG1 3.37Å; C126-W133 HydrophobicContact CB-CB 4.45Å; C126-W133 HydrophobicContact CB-CD2 4.47Å; C126-W133 HydrophobicContact CB-CE3 3.99Å
127	L	94.4	Very high	94.5	Very high	22 Å²	22	36 Å²	36	12%	0.115	21%	0.212	C	C	.	.			trans	-152.3	139.2	179.2	-173	66.4	0	0	0	109.6	V129 L130 G131 T132 I151 L154	L127-V129 HydrophobicContact CD2-CG2 3.41Å; L127-V129 VanDerWaalsContact CD2-CG2 3.41Å; L127-V129 HydrophobicContact CG-CG2 3.72Å; L127-V129 PolarHBondContact O-N 3.4Å; L127-L130 HydrophobicContact CB-CB 4.43Å; L127-L130 HydrophobicContact CB-CD1 3.99Å; L127-L130 HydrophobicContact CB-CG 4.08Å; L127-L130 HydrophobicContact CD2-CD1 4.36Å; L127-L130 HydrophobicContact CD2-CG 4.26Å; L127-L130 WeakPolarHBondContact O-CB 3.47Å; L127-L130 PolarHBondContact O-N 3.15Å; L127-G131 PolarHBondContact O-N 3.21Å; L127-T132 PolarHBondContact N-OG1 3.11Å; L127-T132 PolarHBondContact O-N 3.02Å; L127-T132 PolarHBondContact O-OG1 3.27Å; L127-I151 HydrophobicContact CD2-CG1 4.13Å; L127-L154 HydrophobicContact CD1-CD1 4.44Å
128	S	94.4	Very high	94.6	Very high	18 Å²	18	37.2 Å²	37.2	13%	0.126	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-65.9	-37.7	-172.8	65.6	0	0	0	0	113	L130 G131 W133 P136	S128-L130 PolarHBondContact O-N 3.22Å; S128-L130 VanDerWaalsContact O-N 3.12Å; S128-G131 PolarHBondContact O-N 3.36Å; S128-W133 WeakPolarHBondContact CA-O 3.49Å; S128-P136 CarbonylContact C-O 3.56Å; S128-P136 VanDerWaalsContact CB-O 3.22Å; S128-P136 WeakPolarHBondContact CB-O 3.32Å; S128-P136 PolarHBondContact OG-O 3.35Å
129	V	95	Very high	94.6	Very high	13 Å²	13	39.8 Å²	39.8	8%	0.079	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-67.3	-9.4	175.1	-60	0	0	0	0	113.5	L127 W138 V147	L127-V129 HydrophobicContact CD2-CG2 3.41Å; L127-V129 VanDerWaalsContact CD2-CG2 3.41Å; L127-V129 HydrophobicContact CG-CG2 3.72Å; L127-V129 PolarHBondContact O-N 3.4Å; V129-W138 WeakPolarHBondContact O-CB 3.23Å; V129-V147 HydrophobicContact CG2-CG2 4.31Å
130	L	95.7	Very high	94.6	Very high	16 Å²	16	42.6 Å²	42.6	8%	0.084	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-99.6	-1	171.9	-60.2	179.9	0	0	0	112.5	P101 V103 V125 L127 S128 T132 V147	P101-L130 HydrophobicContact CG-CD2 4.3Å; V103-L130 HydrophobicContact CB-CD1 3.93Å; V103-L130 HydrophobicContact CG2-CD1 3.93Å; V103-L130 HydrophobicContact CG2-CD2 3.72Å; V125-L130 HydrophobicContact CB-CD1 4.28Å; V125-L130 HydrophobicContact CG1-CD1 4.07Å; L127-L130 HydrophobicContact CB-CB 4.43Å; L127-L130 HydrophobicContact CB-CD1 3.99Å; L127-L130 HydrophobicContact CB-CG 4.08Å; L127-L130 HydrophobicContact CD2-CD1 4.36Å; L127-L130 HydrophobicContact CD2-CG 4.26Å; L127-L130 WeakPolarHBondContact O-CB 3.47Å; L127-L130 PolarHBondContact O-N 3.15Å; S128-L130 PolarHBondContact O-N 3.22Å; S128-L130 VanDerWaalsContact O-N 3.12Å; L130-T132 HydrophobicContact CB-CG2 4.38Å; L130-T132 PolarHBondContact O-N 2.96Å; L130-V147 HydrophobicContact CD2-CG1 3.83Å
131	G	92.8	Very high	94.6	Very high	51 Å²	51	46.5 Å²	46.5	53%	0.526	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.3	12.4	-173.2	0	0	0	0	0	114.1	Q18 L127 S128	Q18-G131 PolarHBondContact NE2-O 2.93Å; L127-G131 PolarHBondContact O-N 3.21Å; S128-G131 PolarHBondContact O-N 3.36Å
132	T	92.2	Very high	94.7	Very high	7 Å²	7	47.2 Å²	47.2	4%	0.043	28%	0.284	C	S	.	.	S	Bend	trans	-100.8	-1	-178.7	54.4	0	0	0	0	113.1	H14 W23 V125 C126 L127 L130	H14-T132 PolarHBondContact CE1-O 3.1Å; H14-T132 VanDerWaalsContact CE1-O 3.25Å; H14-T132 PolarHBondContact ND1-O 2.77Å; W23-T132 HydrophobicContact CB-CG2 3.81Å; V125-T132 WeakPolarHBondContact O-CB 3.42Å; V125-T132 PolarHBondContact O-OG1 2.98Å; C126-T132 WeakPolarHBondContact CA-OG1 3.37Å; L127-T132 PolarHBondContact N-OG1 3.11Å; L127-T132 PolarHBondContact O-N 3.02Å; L127-T132 PolarHBondContact O-OG1 3.27Å; L130-T132 HydrophobicContact CB-CG2 4.38Å; L130-T132 PolarHBondContact O-N 2.96Å
133	W	91.6	Very high	94.8	Very high	62 Å²	62	45.9 Å²	45.9	24%	0.235	28%	0.279	C	S	.	.	S	Bend	trans	-147.6	160.6	178.1	-159.3	-111.2	0	0	0	111.9	H14 C126 S128 P164	H14-W133 HydrophobicContact CB-CH2 4.46Å; H14-W133 HydrophobicContact CB-CZ3 3.87Å; H14-W133 AromaticContact ND1-CE3 3.97Å; C126-W133 HydrophobicContact CB-CB 4.45Å; C126-W133 HydrophobicContact CB-CD2 4.47Å; C126-W133 HydrophobicContact CB-CE3 3.99Å; S128-W133 WeakPolarHBondContact CA-O 3.49Å; W133-P164 HydrophobicContact CH2-CG 3.67Å; W133-P164 HydrophobicContact CZ2-CB 4.47Å; W133-P164 HydrophobicContact CZ2-CG 3.3Å
134	Q	88.1	Confident	94.8	Very high	128 Å²	128	46 Å²	46	60%	0.598	28%	0.279	S	S	*	.	S	Bend	trans	-74.5	143.6	172.9	-65	-177.1	-6.7	0	0	111
135	G	91.3	Very high	94.9	Very high	46 Å²	46	47 Å²	47	47%	0.474	29%	0.287	S	S	.	.	S	Bend	trans	142.8	-163.7	178.3	0	0	0	0	0	112	E137	G135-E137 PolarHBondContact O-N 2.75Å
136	P	92.6	Very high	94.9	Very high	107 Å²	107	48.3 Å²	48.3	70%	0.695	30%	0.296	S	S	*	.	S	Bend	trans	-57	122.2	173.9	-23.1	34.1	0	0	0	110.9	S128	S128-P136 CarbonylContact C-O 3.56Å; S128-P136 VanDerWaalsContact CB-O 3.22Å; S128-P136 WeakPolarHBondContact CB-O 3.32Å; S128-P136 PolarHBondContact OG-O 3.35Å
137	E	94.6	Very high	95	Very high	160 Å²	160	48.3 Å²	48.3	75%	0.748	30%	0.296	S	S	*	.	P	Polyproline II helix	trans	-77.1	166.4	-177.1	-63.8	-178	175.1	0	0	111.9	G135 T139	G135-E137 PolarHBondContact O-N 2.75Å; E137-T139 PolarHBondContact O-N 3.23Å
138	W	97.2	Very high	95.2	Very high	27 Å²	27	47.3 Å²	47.3	10%	0.102	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-54.7	137.8	168.9	177.6	-100.4	0	0	0	111	Y96 P97 P100 V129 Q142 V147	Y96-W138 HydrophobicContact CD2-CZ2 4.18Å; Y96-W138 AromaticContact CE2-CH2 3.6Å; Y96-W138 HydrophobicContact CE2-CH2 3.6Å; Y96-W138 AromaticContact CE2-CZ2 3.48Å; Y96-W138 HydrophobicContact CE2-CZ2 3.48Å; Y96-W138 VanDerWaalsContact CE2-CZ2 3.48Å; P97-W138 HydrophobicContact CB-CZ2 4.29Å; P97-W138 PolarHBondContact O-NE1 3.47Å; P100-W138 HydrophobicContact CB-CB 3.83Å; P100-W138 HydrophobicContact CB-CD2 3.69Å; P100-W138 HydrophobicContact CB-CE3 3.98Å; P100-W138 HydrophobicContact CB-CG 3.6Å; P100-W138 HydrophobicContact CG-CB 4.11Å; P100-W138 HydrophobicContact CG-CG 4.17Å; V129-W138 WeakPolarHBondContact O-CB 3.23Å; W138-Q142 HydrophobicContact CD2-CB 4.31Å; W138-Q142 HydrophobicContact CE3-CB 3.7Å; W138-Q142 HydrophobicContact CE3-CG 4.26Å; W138-Q142 HydrophobicContact CH2-CB 3.76Å; W138-Q142 HydrophobicContact CZ2-CB 4.36Å; W138-Q142 HydrophobicContact CZ3-CB 3.4Å; W138-Q142 HydrophobicContact CZ3-CG 4.4Å; W138-V147 HydrophobicContact CE3-CG2 4.34Å; W138-V147 HydrophobicContact CZ3-CG2 3.63Å
139	T	97.2	Very high	95.4	Very high	66 Å²	66	50.2 Å²	50.2	41%	0.405	30%	0.304	S	S	.	.			trans	-131.4	152.9	165	67.8	0	0	0	0	108.7	E137 A141 Q142	E137-T139 PolarHBondContact O-N 3.23Å; T139-A141 PolarHBondContact O-N 3.05Å; T139-Q142 WeakPolarHBondContact O-CB 3.39Å; T139-Q142 PolarHBondContact O-N 3.29Å
140	P	96.1	Very high	95.5	Very high	60 Å²	60	51.3 Å²	51.3	39%	0.39	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-10.7	177.6	-26.3	35.3	0	0	0	115.2	R41 P97 L98	R41-P140 PolarHBondContact NH1-O 2.9Å; P97-P140 HydrophobicContact CB-CB 4.38Å; P97-P140 HydrophobicContact CG-CB 4.25Å; P97-P140 WeakPolarHBondContact O-CA 3.3Å; L98-P140 HydrophobicContact CD2-CG 4.25Å
141	A	96.4	Very high	95.6	Very high	93 Å²	93	50.5 Å²	50.5	77%	0.769	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-21.7	173.2	0	0	0	0	0	113.2	T139	T139-A141 PolarHBondContact O-N 3.05Å
142	Q	97.1	Very high	95.9	Very high	59 Å²	59	49.7 Å²	49.7	28%	0.276	29%	0.29	S	S	.	.			trans	-68.2	157.6	172	-62.9	-63.7	-20.6	0	0	110.6	R41 W138 T139 S146	R41-Q142 PolarHBondContact NH2-O 3.12Å; W138-Q142 HydrophobicContact CD2-CB 4.31Å; W138-Q142 HydrophobicContact CE3-CB 3.7Å; W138-Q142 HydrophobicContact CE3-CG 4.26Å; W138-Q142 HydrophobicContact CH2-CB 3.76Å; W138-Q142 HydrophobicContact CZ2-CB 4.36Å; W138-Q142 HydrophobicContact CZ3-CB 3.4Å; W138-Q142 HydrophobicContact CZ3-CG 4.4Å; T139-Q142 WeakPolarHBondContact O-CB 3.39Å; T139-Q142 PolarHBondContact O-N 3.29Å; Q142-S146 VanDerWaalsContact OE1-CB 3.32Å; Q142-S146 PolarHBondContact OE1-OG 3.29Å
143	S	97.2	Very high	96.2	Very high	27 Å²	27	53 Å²	53	19%	0.189	31%	0.314	C	S	.	.			trans	-130.6	169.1	179.3	69	0	0	0	0	111	D45 S145 S146 V147	D45-S143 WeakPolarHBondContact OD2-CA 3.4Å; S143-S145 PolarHBondContact O-N 2.87Å; S143-S145 PolarHBondContact OG-N 3.05Å; S143-S146 PolarHBondContact N-OG 3.49Å; S143-S146 PolarHBondContact O-N 3.07Å; S143-S146 PolarHBondContact O-OG 3.45Å; S143-S146 PolarHBondContact OG-N 3.05Å; S143-V147 WeakPolarHBondContact O-CG2 3.31Å; S143-V147 PolarHBondContact O-N 3.34Å; S143-V147 VanDerWaalsContact O-N 3.1Å
144	L	98.2	Very high	96.5	Very high	2 Å²	2	51.1 Å²	51.1	1%	0.01	31%	0.308	C	S	.	.	H	α-helix	trans	-55.9	-36	170.1	-67.7	176.5	0	0	0	112.3	D45 L46 I49 I69 I90 P101 V147 L148	D45-L144 HydrophobicContact CB-CB 4.24Å; D45-L144 HydrophobicContact CB-CD1 4.06Å; D45-L144 HydrophobicContact CB-CG 4.13Å; D45-L144 PolarHBondContact OD2-N 2.92Å; L46-L144 HydrophobicContact CD2-CD1 4.42Å; I49-L144 HydrophobicContact CD1-CB 3.91Å; I69-L144 HydrophobicContact CD1-CD1 3.47Å; I69-L144 VanDerWaalsContact CD1-CD1 3.47Å; I90-L144 HydrophobicContact CG2-CD2 4.04Å; P101-L144 HydrophobicContact CB-CD2 4.27Å; P101-L144 HydrophobicContact CG-CD2 4.14Å; L144-V147 PolarHBondContact O-N 3.17Å; L144-L148 WeakPolarHBondContact O-CB 3.18Å; L144-L148 VanDerWaalsContact O-CG 3.27Å; L144-L148 WeakPolarHBondContact O-CG 3.41Å; L144-L148 PolarHBondContact O-N 3.38Å
145	S	97.6	Very high	97	Very high	22 Å²	22	45.1 Å²	45.1	15%	0.154	28%	0.28	C	S	.	.	H	α-helix	trans	-62.7	-48.9	176.7	-175.6	0	0	0	0	111.6	S143 V147 L148 I149	S143-S145 PolarHBondContact O-N 2.87Å; S143-S145 PolarHBondContact OG-N 3.05Å; S145-V147 VanDerWaalsContact C-N 3.29Å; S145-V147 PolarHBondContact O-N 3.14Å; S145-L148 PolarHBondContact O-N 2.96Å; S145-I149 WeakPolarHBondContact O-CG1 3.3Å; S145-I149 PolarHBondContact O-N 3.23Å
146	S	96.9	Very high	97.3	Very high	28 Å²	28	45 Å²	45	20%	0.196	27%	0.269	C	S	.	.	H	α-helix	trans	-65.6	-33.2	-179.7	67.1	0	0	0	0	112.6	Q142 S143 S150	Q142-S146 VanDerWaalsContact OE1-CB 3.32Å; Q142-S146 PolarHBondContact OE1-OG 3.29Å; S143-S146 PolarHBondContact N-OG 3.49Å; S143-S146 PolarHBondContact O-N 3.07Å; S143-S146 PolarHBondContact O-OG 3.45Å; S143-S146 PolarHBondContact OG-N 3.05Å; S146-S150 WeakPolarHBondContact O-CB 3.19Å; S146-S150 PolarHBondContact O-N 3.11Å; S146-S150 PolarHBondContact O-OG 3.35Å
147	V	98.2	Very high	97.6	Very high	1 Å²	1	44.1 Å²	44.1	1%	0.006	26%	0.258	C	S	.	.	H	α-helix	trans	-62.8	-49.6	171.6	171.4	0	0	0	0	111	P101 V103 V129 L130 W138 S143 L144 S145 S150 I151	P101-V147 HydrophobicContact CG-CG2 4.41Å; V103-V147 HydrophobicContact CG2-CG1 4.35Å; V129-V147 HydrophobicContact CG2-CG2 4.31Å; L130-V147 HydrophobicContact CD2-CG1 3.83Å; W138-V147 HydrophobicContact CE3-CG2 4.34Å; W138-V147 HydrophobicContact CZ3-CG2 3.63Å; S143-V147 WeakPolarHBondContact O-CG2 3.31Å; S143-V147 PolarHBondContact O-N 3.34Å; S143-V147 VanDerWaalsContact O-N 3.1Å; L144-V147 PolarHBondContact O-N 3.17Å; S145-V147 VanDerWaalsContact C-N 3.29Å; S145-V147 PolarHBondContact O-N 3.14Å; V147-S150 WeakPolarHBondContact O-CB 3.42Å; V147-S150 PolarHBondContact O-N 3.48Å; V147-I151 HydrophobicContact CG1-CD1 3.96Å; V147-I151 WeakPolarHBondContact O-CG1 3.37Å; V147-I151 PolarHBondContact O-N 3.11Å
148	L	98.6	Very high	97.7	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.005	25%	0.246	C	C	.	.	H	α-helix	trans	-64	-42.3	-178.9	-73.2	167.2	0	0	0	112.4	I49 I57 V59 A71 I73 I90 L144 S145 S150 I151 Q152	I49-L148 HydrophobicContact CD1-CD1 4.11Å; I57-L148 HydrophobicContact CD1-CB 4.08Å; I57-L148 HydrophobicContact CG2-CB 4.07Å; I57-L148 HydrophobicContact CG2-CD1 3.88Å; I57-L148 HydrophobicContact CG2-CG 4.42Å; V59-L148 HydrophobicContact CG1-CD1 3.49Å; V59-L148 VanDerWaalsContact CG1-CD1 3.49Å; A71-L148 HydrophobicContact CB-CD1 4.42Å; A71-L148 HydrophobicContact CB-CD2 3.62Å; I73-L148 HydrophobicContact CD1-CD2 3.99Å; I73-L148 HydrophobicContact CG1-CD2 4.38Å; I90-L148 HydrophobicContact CD1-CD2 3.81Å; I90-L148 HydrophobicContact CD1-CG 4.29Å; L144-L148 WeakPolarHBondContact O-CB 3.18Å; L144-L148 VanDerWaalsContact O-CG 3.27Å; L144-L148 WeakPolarHBondContact O-CG 3.41Å; L144-L148 PolarHBondContact O-N 3.38Å; S145-L148 PolarHBondContact O-N 2.96Å; L148-S150 VanDerWaalsContact C-N 3.32Å; L148-S150 PolarHBondContact O-N 3.14Å; L148-I151 WeakPolarHBondContact O-CB 3.32Å; L148-I151 PolarHBondContact O-N 3.14Å; L148-Q152 PolarHBondContact O-N 3.17Å
149	I	98.1	Very high	97.7	Very high	79 Å²	79	40.5 Å²	40.5	41%	0.405	24%	0.241	S	C	.	.	H	α-helix	trans	-61.6	-42.4	173.7	-67.9	165.5	0	0	0	110.6	A54 I57 S145 I151 Q152 S153	A54-I149 HydrophobicContact CB-CD1 4.19Å; A54-I149 HydrophobicContact CB-CG1 3.97Å; I57-I149 HydrophobicContact CD1-CG1 4.25Å; S145-I149 WeakPolarHBondContact O-CG1 3.3Å; S145-I149 PolarHBondContact O-N 3.23Å; I149-I151 VanDerWaalsContact C-N 3.32Å; I149-I151 PolarHBondContact O-N 3.03Å; I149-Q152 PolarHBondContact O-N 2.72Å; I149-S153 PolarHBondContact O-N 3.46Å
150	S	97.7	Very high	97.7	Very high	35 Å²	35	37.4 Å²	37.4	25%	0.245	22%	0.222	C	C	.	.	H	α-helix	trans	-62.5	-39.9	176.2	-59.4	0	0	0	0	111.6	S146 V147 L148 S153	S146-S150 WeakPolarHBondContact O-CB 3.19Å; S146-S150 PolarHBondContact O-N 3.11Å; S146-S150 PolarHBondContact O-OG 3.35Å; V147-S150 WeakPolarHBondContact O-CB 3.42Å; V147-S150 PolarHBondContact O-N 3.48Å; L148-S150 VanDerWaalsContact C-N 3.32Å; L148-S150 PolarHBondContact O-N 3.14Å; S150-S153 PolarHBondContact O-N 3.07Å; S150-S153 PolarHBondContact O-OG 3.31Å
151	I	98.5	Very high	97.8	Very high	0 Å²	0	38 Å²	38	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-63.5	-48.2	174.5	-69.1	169.5	0	0	0	110.7	I73 F88 V103 F119 V125 L127 V147 L148 I149 S153 L154	I73-I151 HydrophobicContact CD1-CB 4.08Å; I73-I151 HydrophobicContact CD1-CG2 3.68Å; F88-I151 HydrophobicContact CD1-CG2 4.47Å; F88-I151 HydrophobicContact CE1-CG2 3.68Å; F88-I151 HydrophobicContact CE2-CG2 4.15Å; F88-I151 HydrophobicContact CZ-CG2 3.49Å; F88-I151 VanDerWaalsContact CZ-CG2 3.49Å; V103-I151 HydrophobicContact CG1-CD1 3.89Å; F119-I151 HydrophobicContact CE1-CG2 3.96Å; F119-I151 HydrophobicContact CZ-CG2 3.8Å; V125-I151 HydrophobicContact CG1-CG1 4.23Å; L127-I151 HydrophobicContact CD2-CG1 4.13Å; V147-I151 HydrophobicContact CG1-CD1 3.96Å; V147-I151 WeakPolarHBondContact O-CG1 3.37Å; V147-I151 PolarHBondContact O-N 3.11Å; L148-I151 WeakPolarHBondContact O-CB 3.32Å; L148-I151 PolarHBondContact O-N 3.14Å; I149-I151 VanDerWaalsContact C-N 3.32Å; I149-I151 PolarHBondContact O-N 3.03Å; I151-S153 PolarHBondContact O-N 3.42Å; I151-L154 WeakPolarHBondContact O-CB 3.27Å; I151-L154 PolarHBondContact O-N 2.92Å; I151-L154 VanDerWaalsContact O-N 3.1Å
152	Q	98.5	Very high	97.8	Very high	33 Å²	33	35.4 Å²	35.4	15%	0.154	19%	0.192	C	C	.	.	H	α-helix	trans	-59.9	-35.4	178.2	-169.9	-178.9	51.5	0	0	111.6	P55 I57 I73 T74 P76 L148 I149 L154 M155	P55-Q152 PolarHBondContact O-NE2 3.47Å; I57-Q152 HydrophobicContact CD1-CB 4.29Å; I73-Q152 HydrophobicContact CG2-CB 3.84Å; I73-Q152 HydrophobicContact CG2-CG 3.68Å; T74-Q152 PolarHBondContact O-NE2 3.39Å; P76-Q152 HydrophobicContact CG-CG 3.89Å; L148-Q152 PolarHBondContact O-N 3.17Å; I149-Q152 PolarHBondContact O-N 2.72Å; Q152-L154 PolarHBondContact O-N 3.4Å; Q152-M155 WeakPolarHBondContact O-CA 3.46Å; Q152-M155 VanDerWaalsContact O-CB 3.26Å; Q152-M155 WeakPolarHBondContact O-CB 3.38Å; Q152-M155 PolarHBondContact O-N 3.22Å
153	S	97.8	Very high	97.6	Very high	78 Å²	78	33.1 Å²	33.1	55%	0.545	18%	0.181	S	C	.	.	H	α-helix	trans	-64.3	-21.5	177.8	79.8	0	0	0	0	114.5	I149 S150 I151 M155	I149-S153 PolarHBondContact O-N 3.46Å; S150-S153 PolarHBondContact O-N 3.07Å; S150-S153 PolarHBondContact O-OG 3.31Å; I151-S153 PolarHBondContact O-N 3.42Å; S153-M155 PolarHBondContact O-N 3.05Å
154	L	97.9	Very high	97.1	Very high	21 Å²	21	33.8 Å²	33.8	11%	0.11	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-24	173.1	-61.8	169.3	0	0	0	111.7	N116 N118 F119 L127 I151 Q152 N156 N162	N116-L154 PolarHBondContact ND2-O 3.01Å; N118-L154 HydrophobicContact CB-CD1 3.85Å; N118-L154 HydrophobicContact CB-CD2 4.3Å; F119-L154 HydrophobicContact CE1-CB 4.45Å; F119-L154 HydrophobicContact CE1-CD1 3.72Å; F119-L154 HydrophobicContact CE2-CB 4.49Å; F119-L154 HydrophobicContact CZ-CB 3.93Å; F119-L154 HydrophobicContact CZ-CD1 4Å; L127-L154 HydrophobicContact CD1-CD1 4.44Å; I151-L154 WeakPolarHBondContact O-CB 3.27Å; I151-L154 PolarHBondContact O-N 2.92Å; I151-L154 VanDerWaalsContact O-N 3.1Å; Q152-L154 PolarHBondContact O-N 3.4Å; L154-N156 PolarHBondContact O-N 2.94Å; L154-N156 PolarHBondContact O-ND2 3.39Å; L154-N162 PolarHBondContact O-ND2 2.78Å
155	M	98.6	Very high	96.6	Very high	2 Å²	2	36.9 Å²	36.9	1%	0.01	22%	0.217	C	C	.	.	S	Bend	trans	-81.7	55.8	176.9	-57.7	175	-176.2	0	0	110.9	I73 P76 T79 Y81 F86 F88 F119 Q152 S153	I73-M155 HydrophobicContact CG2-CE 4.21Å; I73-M155 HydrophobicContact CG2-SD 4.04Å; P76-M155 HydrophobicContact CG-CB 4.25Å; T79-M155 WeakPolarHBondContact CG2-O 3.4Å; Y81-M155 HydrophobicContact CD1-CB 4.44Å; Y81-M155 HydrophobicContact CD1-CG 4.24Å; Y81-M155 HydrophobicContact CD2-CB 3.54Å; Y81-M155 HydrophobicContact CD2-CG 4.21Å; Y81-M155 HydrophobicContact CE2-CB 4.01Å; Y81-M155 HydrophobicContact CG-CB 3.79Å; Y81-M155 HydrophobicContact CG-CG 4.06Å; F86-M155 HydrophobicContact CB-CE 3.78Å; F86-M155 HydrophobicContact CD1-CE 4.21Å; F86-M155 HydrophobicContact CD2-CE 3.87Å; F86-M155 HydrophobicContact CD2-SD 4.05Å; F86-M155 HydrophobicContact CE2-SD 4.45Å; F86-M155 HydrophobicContact CG-CE 3.67Å; F86-M155 HydrophobicContact CG-SD 4.46Å; F88-M155 HydrophobicContact CE2-CE 4.08Å; F88-M155 HydrophobicContact CZ-CE 3.83Å; F119-M155 HydrophobicContact CE2-CE 3.62Å; F119-M155 HydrophobicContact CE2-CG 3.73Å; F119-M155 HydrophobicContact CZ-CE 3.94Å; F119-M155 HydrophobicContact CZ-CG 4.27Å; Q152-M155 WeakPolarHBondContact O-CA 3.46Å; Q152-M155 VanDerWaalsContact O-CB 3.26Å; Q152-M155 WeakPolarHBondContact O-CB 3.38Å; Q152-M155 PolarHBondContact O-N 3.22Å; S153-M155 PolarHBondContact O-N 3.05Å
156	N	98.2	Very high	96.3	Very high	44 Å²	44	36.7 Å²	36.7	24%	0.235	21%	0.213	C	C	.	.			trans	-87.3	-179.4	-179.5	63.6	63.6	0	0	0	112.9	L154 K158 P159 N162	L154-N156 PolarHBondContact O-N 2.94Å; L154-N156 PolarHBondContact O-ND2 3.39Å; N156-K158 VanDerWaalsContact C-N 3.31Å; N156-K158 PolarHBondContact O-N 3.41Å; N156-K158 WeakPolarHBondContact OD1-CA 3.41Å; N156-K158 PolarHBondContact OD1-N 2.91Å; N156-K158 PolarHBondContact OD1-O 3.32Å; N156-P159 WeakPolarHBondContact O-CD 3.08Å; N156-P159 VanDerWaalsContact OD1-N 3.16Å; N156-N162 PolarHBondContact ND2-OD1 3.28Å
157	D	98.4	Very high	95.9	Very high	88 Å²	88	41.1 Å²	41.1	47%	0.471	24%	0.24	S	C	.	.	S	Bend	trans	-72.8	-18.2	-177.7	67.5	-44.1	0	0	0	113.8	N179	D157-N179 PolarHBondContact O-ND2 3.02Å
158	K	97.7	Very high	95.6	Very high	112 Å²	112	46 Å²	46	49%	0.487	27%	0.27	S	S	.	.			trans	-135.4	61.2	-178.6	-55.9	177.6	-176.3	175.9	0	112.4	N156 Y160 F161	N156-K158 VanDerWaalsContact C-N 3.31Å; N156-K158 PolarHBondContact O-N 3.41Å; N156-K158 WeakPolarHBondContact OD1-CA 3.41Å; N156-K158 PolarHBondContact OD1-N 2.91Å; N156-K158 PolarHBondContact OD1-O 3.32Å; K158-Y160 PolarHBondContact O-N 3.39Å; K158-F161 HydrophobicContact CB-CD2 3.6Å; K158-F161 HydrophobicContact CB-CE2 3.88Å; K158-F161 HydrophobicContact CD-CD2 4.37Å; K158-F161 HydrophobicContact CD-CE2 4.08Å; K158-F161 HydrophobicContact CG-CE2 4.43Å; K158-F161 WeakPolarHBondContact O-CD2 3.5Å; K158-F161 PolarHBondContact O-N 2.99Å; K158-F161 VanDerWaalsContact O-N 3.12Å
159	P	97.8	Very high	95.4	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-64.1	-17.2	-175	27.2	-37.1	0	0	0	114.2	P80 Y81 N116 P117 N156 F161 N162 Y178 N179	P80-P159 HydrophobicContact CG-CG 3.84Å; Y81-P159 HydrophobicContact CE2-CB 4.03Å; Y81-P159 HydrophobicContact CE2-CG 3.88Å; Y81-P159 WeakPolarHBondContact OH-CB 3.04Å; Y81-P159 WeakPolarHBondContact OH-CG 3.31Å; N116-P159 WeakPolarHBondContact ND2-CB 3.47Å; P117-P159 VanDerWaalsContact CD-O 3.32Å; P117-P159 WeakPolarHBondContact CD-O 3.28Å; P117-P159 WeakPolarHBondContact CG-O 3.45Å; N156-P159 WeakPolarHBondContact O-CD 3.08Å; N156-P159 VanDerWaalsContact OD1-N 3.16Å; P159-F161 PolarHBondContact O-N 3.36Å; P159-N162 VanDerWaalsContact O-CB 3.27Å; P159-N162 WeakPolarHBondContact O-CB 3.37Å; P159-N162 PolarHBondContact O-N 3.19Å; P159-Y178 HydrophobicContact CB-CE1 3.99Å; P159-Y178 HydrophobicContact CG-CD1 3.94Å; P159-Y178 HydrophobicContact CG-CE1 3.74Å; P159-N179 VanDerWaalsContact CD-OD1 3.3Å; P159-N179 WeakPolarHBondContact CD-OD1 3.35Å
160	Y	97.3	Very high	95.1	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-52	-41.4	170.9	172.6	-91.3	0	0	0	112	K158 N162 E163 F166 E169 R170 D174 A175 P238 F239	K158-Y160 PolarHBondContact O-N 3.39Å; Y160-N162 PolarHBondContact O-N 3.05Å; Y160-E163 PolarHBondContact O-N 2.85Å; Y160-F166 HydrophobicContact CE1-CB 4.14Å; Y160-F166 HydrophobicContact CE1-CD1 4.22Å; Y160-F166 HydrophobicContact CE2-CD1 4.11Å; Y160-F166 AromaticContact CZ-CD1 3.65Å; Y160-F166 WeakPolarHBondContact OH-CD1 3.42Å; Y160-E169 HydrophobicContact CE1-CG 4.3Å; Y160-R170 PolarHBondContact OH-N 3.15Å; Y160-D174 HydrophobicContact CD2-CB 4.28Å; Y160-D174 HydrophobicContact CE1-CB 4.49Å; Y160-D174 HydrophobicContact CE2-CB 3.62Å; Y160-D174 PolarHBondContact OH-OD2 3.04Å; Y160-A175 HydrophobicContact CD1-CB 4.05Å; Y160-A175 HydrophobicContact CG-CB 4.03Å; Y160-P238 HydrophobicContact CD2-CB 4.27Å; Y160-P238 HydrophobicContact CE2-CB 3.79Å; Y160-P238 HydrophobicContact CE2-CG 4.49Å; Y160-F239 HydrophobicContact CD2-CE1 4.19Å; Y160-F239 AromaticContact CD2-CE2 3.99Å; Y160-F239 HydrophobicContact CD2-CE2 3.99Å; Y160-F239 AromaticContact CD2-CZ 3.53Å; Y160-F239 HydrophobicContact CD2-CZ 3.53Å; Y160-F239 HydrophobicContact CE2-CE1 4.05Å; Y160-F239 AromaticContact CE2-CZ 3.87Å; Y160-F239 HydrophobicContact CE2-CZ 3.87Å; Y160-F239 HydrophobicContact CG-CZ 4.19Å; Y160-F239 WeakPolarHBondContact O-CZ 3.35Å
161	F	96.8	Very high	94.9	Very high	72 Å²	72	55.1 Å²	55.1	32%	0.316	31%	0.307	S	S	.	.	G	3₁₀ helix	trans	-77.6	-1.8	-178.3	-54.9	-86	0	0	0	113.5	K158 P159 E163 F166 E169 A175	K158-F161 HydrophobicContact CB-CD2 3.6Å; K158-F161 HydrophobicContact CB-CE2 3.88Å; K158-F161 HydrophobicContact CD-CD2 4.37Å; K158-F161 HydrophobicContact CD-CE2 4.08Å; K158-F161 HydrophobicContact CG-CE2 4.43Å; K158-F161 WeakPolarHBondContact O-CD2 3.5Å; K158-F161 PolarHBondContact O-N 2.99Å; K158-F161 VanDerWaalsContact O-N 3.12Å; P159-F161 PolarHBondContact O-N 3.36Å; F161-E163 PolarHBondContact O-N 2.57Å; F161-F166 WeakPolarHBondContact CA-O 3.18Å; F161-F166 WeakPolarHBondContact CD1-O 3.41Å; F161-E169 HydrophobicContact CE1-CG 4.34Å; F161-E169 HydrophobicContact CZ-CG 3.99Å; F161-A175 HydrophobicContact CE2-CB 3.71Å; F161-A175 HydrophobicContact CZ-CB 3.97Å
162	N	95.8	Very high	94.8	Very high	39 Å²	39	61.5 Å²	61.5	21%	0.209	35%	0.348	C	S	.	.	G	3₁₀ helix	trans	-71.9	-18.5	171.7	-66.7	-1.8	0	0	0	111.8	N116 P117 L154 N156 P159 Y160 P164	N116-N162 PolarHBondContact ND2-ND2 3.26Å; N116-N162 PolarHBondContact OD1-ND2 2.77Å; N116-N162 VanDerWaalsContact OD1-ND2 3.16Å; P117-N162 HydrophobicContact CB-CB 4.02Å; P117-N162 HydrophobicContact CG-CB 3.93Å; L154-N162 PolarHBondContact O-ND2 2.78Å; N156-N162 PolarHBondContact ND2-OD1 3.28Å; P159-N162 VanDerWaalsContact O-CB 3.27Å; P159-N162 WeakPolarHBondContact O-CB 3.37Å; P159-N162 PolarHBondContact O-N 3.19Å; Y160-N162 PolarHBondContact O-N 3.05Å; N162-P164 WeakPolarHBondContact O-CD 3.24Å
163	E	93	Very high	94.7	Very high	11 Å²	11	61.1 Å²	61.1	5%	0.051	35%	0.353	C	S	.	.	S	Bend	trans	-73.2	125.8	176.1	-174.5	68.3	-120.2	0	0	110.3	S11 R114 P117 Y160 F161 G165 F166 F239	S11-E163 WeakPolarHBondContact CB-OE1 3.48Å; S11-E163 PolarHBondContact N-OE1 2.83Å; S11-E163 VanDerWaalsContact N-OE1 3.14Å; S11-E163 VanDerWaalsContact OG-CD 3.3Å; S11-E163 PolarHBondContact OG-OE1 2.91Å; S11-E163 PolarHBondContact OG-OE2 2.86Å; S11-E163 VanDerWaalsContact OG-OE2 3.1Å; R114-E163 IonicContact CZ-OE2 3.97Å; R114-E163 IonicContact NH1-OE2 3.16Å; R114-E163 IonicContact NH2-OE2 2.77Å; R114-E163 PolarHBondContact NH2-OE2 3.45Å; P117-E163 HydrophobicContact CB-CB 3.89Å; P117-E163 HydrophobicContact CG-CB 3.84Å; Y160-E163 PolarHBondContact O-N 2.85Å; F161-E163 PolarHBondContact O-N 2.57Å; E163-G165 PolarHBondContact O-N 2.69Å; E163-F166 HydrophobicContact CB-CB 4.26Å; E163-F166 HydrophobicContact CB-CD2 3.69Å; E163-F166 HydrophobicContact CB-CE2 4.21Å; E163-F166 HydrophobicContact CB-CG 4.09Å; E163-F166 HydrophobicContact CG-CD2 3.32Å; E163-F166 HydrophobicContact CG-CE2 3.38Å; E163-F166 HydrophobicContact CG-CG 4.17Å; E163-F166 HydrophobicContact CG-CZ 4.24Å; E163-F166 WeakPolarHBondContact O-CB 3.44Å; E163-F166 PolarHBondContact O-N 2.79Å; E163-F239 HydrophobicContact CB-CE1 3.61Å; E163-F239 HydrophobicContact CB-CZ 3.75Å; E163-F239 HydrophobicContact CG-CD1 4.28Å; E163-F239 HydrophobicContact CG-CE1 3.78Å; E163-F239 HydrophobicContact CG-CZ 4.38Å
164	P	87.8	Confident	94.6	Very high	42 Å²	42	58.1 Å²	58.1	27%	0.273	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.4	128.5	175.7	-30.6	34.6	0	0	0	113.8	W133 N162 F166	W133-P164 HydrophobicContact CH2-CG 3.67Å; W133-P164 HydrophobicContact CZ2-CB 4.47Å; W133-P164 HydrophobicContact CZ2-CG 3.3Å; N162-P164 WeakPolarHBondContact O-CD 3.24Å; P164-F166 VanDerWaalsContact C-N 3.32Å; P164-F166 WeakPolarHBondContact O-CD2 3.28Å
165	G	87.6	Confident	94.6	Very high	67 Å²	67	57.6 Å²	57.6	69%	0.691	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.6	-0.9	-179.9	0	0	0	0	0	114.6	E163	E163-G165 PolarHBondContact O-N 2.69Å
166	F	90.7	Very high	94.5	Very high	17 Å²	17	64.8 Å²	64.8	8%	0.075	36%	0.363	C	S	.	.			trans	-104.2	53.7	176.8	-67.1	-110.1	0	0	0	110.5	Y160 F161 E163 P164 T168 R170 F239	Y160-F166 HydrophobicContact CE1-CB 4.14Å; Y160-F166 HydrophobicContact CE1-CD1 4.22Å; Y160-F166 HydrophobicContact CE2-CD1 4.11Å; Y160-F166 AromaticContact CZ-CD1 3.65Å; Y160-F166 WeakPolarHBondContact OH-CD1 3.42Å; F161-F166 WeakPolarHBondContact CA-O 3.18Å; F161-F166 WeakPolarHBondContact CD1-O 3.41Å; E163-F166 HydrophobicContact CB-CB 4.26Å; E163-F166 HydrophobicContact CB-CD2 3.69Å; E163-F166 HydrophobicContact CB-CE2 4.21Å; E163-F166 HydrophobicContact CB-CG 4.09Å; E163-F166 HydrophobicContact CG-CD2 3.32Å; E163-F166 HydrophobicContact CG-CE2 3.38Å; E163-F166 HydrophobicContact CG-CG 4.17Å; E163-F166 HydrophobicContact CG-CZ 4.24Å; E163-F166 WeakPolarHBondContact O-CB 3.44Å; E163-F166 PolarHBondContact O-N 2.79Å; P164-F166 VanDerWaalsContact C-N 3.32Å; P164-F166 WeakPolarHBondContact O-CD2 3.28Å; F166-T168 PolarHBondContact O-N 2.97Å; F166-R170 HydrophobicContact CD1-CG 4.34Å; F166-R170 HydrophobicContact CE1-CG 4.21Å; F166-F239 HydrophobicContact CD1-CD1 4.34Å; F166-F239 AromaticContact CD1-CE1 3.6Å; F166-F239 HydrophobicContact CD1-CE1 3.6Å; F166-F239 HydrophobicContact CD2-CE1 4.21Å; F166-F239 AromaticContact CE1-CD1 3.71Å; F166-F239 HydrophobicContact CE1-CD1 3.71Å; F166-F239 AromaticContact CE1-CE1 3.44Å; F166-F239 HydrophobicContact CE1-CE1 3.44Å; F166-F239 VanDerWaalsContact CE1-CE1 3.44Å; F166-F239 HydrophobicContact CE2-CD1 4.37Å; F166-F239 HydrophobicContact CE2-CE1 4.1Å; F166-F239 AromaticContact CG-CE1 3.96Å; F166-F239 HydrophobicContact CG-CE1 3.96Å; F166-F239 AromaticContact CZ-CD1 3.7Å; F166-F239 HydrophobicContact CZ-CD1 3.7Å; F166-F239 AromaticContact CZ-CE1 3.69Å; F166-F239 HydrophobicContact CZ-CE1 3.69Å
167	T	88.4	Confident	94.5	Very high	122 Å²	122	66.4 Å²	66.4	75%	0.748	37%	0.369	S	S	*	.	S	Bend	trans	-76.9	-12.9	175.2	55.3	0	0	0	0	112.9
168	T	91.9	Very high	94.5	Very high	103 Å²	103	62.2 Å²	62.2	63%	0.632	35%	0.347	S	S	*	.	S	Bend	trans	-131.6	153.5	171.2	56.1	0	0	0	0	109.1	F166	F166-T168 PolarHBondContact O-N 2.97Å
169	E	94.3	Very high	94.5	Very high	70 Å²	70	58.6 Å²	58.6	33%	0.327	33%	0.333	S	S	.	.			trans	-62	142.8	171.3	-59.8	-173.9	141.2	0	0	110.4	Y160 F161 S171 G173 D174 A175	Y160-E169 HydrophobicContact CE1-CG 4.3Å; F161-E169 HydrophobicContact CE1-CG 4.34Å; F161-E169 HydrophobicContact CZ-CG 3.99Å; E169-S171 WeakPolarHBondContact CB-O 3.47Å; E169-G173 PolarHBondContact OE2-N 2.86Å; E169-D174 HydrophobicContact CB-CB 4.26Å; E169-D174 HydrophobicContact CG-CB 4.39Å; E169-D174 PolarHBondContact OE1-N 3.22Å; E169-A175 HydrophobicContact CG-CB 4.31Å; E169-A175 WeakPolarHBondContact OE1-CB 3.31Å; E169-A175 PolarHBondContact OE1-N 2.83Å
170	R	92.5	Very high	94.6	Very high	169 Å²	169	59.8 Å²	59.8	64%	0.638	34%	0.342	S	S	*	.	S	Bend	trans	-79.9	-40.3	175.9	-72.1	-177.1	174.3	-178.1	-1	110	Y160 F166 D174	Y160-R170 PolarHBondContact OH-N 3.15Å; F166-R170 HydrophobicContact CD1-CG 4.34Å; F166-R170 HydrophobicContact CE1-CG 4.21Å; R170-D174 WeakPolarHBondContact CB-OD2 3.28Å; R170-D174 PolarHBondContact N-OD2 3.02Å
171	S	94	Very high	94.6	Very high	68 Å²	68	59.8 Å²	59.8	48%	0.476	34%	0.342	S	S	.	.	S	Bend	trans	-122.1	141.7	169.4	-52.7	0	0	0	0	109.3	E169 G173 D174	E169-S171 WeakPolarHBondContact CB-O 3.47Å; S171-G173 PolarHBondContact O-N 3.33Å; S171-D174 PolarHBondContact N-OD2 3.03Å; S171-D174 PolarHBondContact O-N 3.49Å
172	P	95.5	Very high	94.7	Very high	134 Å²	134	56.3 Å²	56.3	87%	0.87	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	126.7	176.4	-25.5	34.4	0	0	0	111.8
173	G	96	Very high	94.8	Very high	25 Å²	25	55.8 Å²	55.8	26%	0.258	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	95.7	-2.4	178.6	0	0	0	0	0	115.4	E169 S171 A175 Q176 Q177	E169-G173 PolarHBondContact OE2-N 2.86Å; S171-G173 PolarHBondContact O-N 3.33Å; G173-A175 VanDerWaalsContact C-N 3.3Å; G173-A175 PolarHBondContact O-N 3.06Å; G173-Q176 PolarHBondContact O-N 3.41Å; G173-Q176 VanDerWaalsContact O-N 3.15Å; G173-Q177 WeakPolarHBondContact O-CB 3.36Å; G173-Q177 PolarHBondContact O-N 2.98Å
174	D	96.9	Very high	95.1	Very high	15 Å²	15	55.4 Å²	55.4	8%	0.08	32%	0.324	C	S	.	.	H	α-helix	trans	-53.3	-44.6	178.2	-75.8	-19	0	0	0	112.4	Y160 E169 R170 S171 Q176 Q177 Y178 P238	Y160-D174 HydrophobicContact CD2-CB 4.28Å; Y160-D174 HydrophobicContact CE1-CB 4.49Å; Y160-D174 HydrophobicContact CE2-CB 3.62Å; Y160-D174 PolarHBondContact OH-OD2 3.04Å; E169-D174 HydrophobicContact CB-CB 4.26Å; E169-D174 HydrophobicContact CG-CB 4.39Å; E169-D174 PolarHBondContact OE1-N 3.22Å; R170-D174 WeakPolarHBondContact CB-OD2 3.28Å; R170-D174 PolarHBondContact N-OD2 3.02Å; S171-D174 PolarHBondContact N-OD2 3.03Å; S171-D174 PolarHBondContact O-N 3.49Å; D174-Q176 PolarHBondContact O-N 3.26Å; D174-Q177 PolarHBondContact O-N 2.71Å; D174-Y178 WeakPolarHBondContact O-CB 3.18Å; D174-Y178 PolarHBondContact O-N 3.26Å; D174-P238 HydrophobicContact CB-CB 4.04Å; D174-P238 HydrophobicContact CB-CG 4.11Å; D174-P238 WeakPolarHBondContact O-CG 3.34Å
175	A	97.4	Very high	95.6	Very high	9 Å²	9	53.7 Å²	53.7	7%	0.074	31%	0.312	C	S	.	.	H	α-helix	trans	-68.1	-37.8	-178	0	0	0	0	0	111.7	Y160 F161 E169 G173 N179	Y160-A175 HydrophobicContact CD1-CB 4.05Å; Y160-A175 HydrophobicContact CG-CB 4.03Å; F161-A175 HydrophobicContact CE2-CB 3.71Å; F161-A175 HydrophobicContact CZ-CB 3.97Å; E169-A175 HydrophobicContact CG-CB 4.31Å; E169-A175 WeakPolarHBondContact OE1-CB 3.31Å; E169-A175 PolarHBondContact OE1-N 2.83Å; G173-A175 VanDerWaalsContact C-N 3.3Å; G173-A175 PolarHBondContact O-N 3.06Å; A175-N179 WeakPolarHBondContact O-CB 3.37Å; A175-N179 PolarHBondContact O-N 2.98Å; A175-N179 PolarHBondContact O-OD1 2.81Å
176	Q	97.5	Very high	96.2	Very high	153 Å²	153	50.6 Å²	50.6	72%	0.715	28%	0.28	S	S	*	.	H	α-helix	trans	-67.1	-42	175.9	-176.2	178	3.7	0	0	111.4	G173 D174 N179 A180	G173-Q176 PolarHBondContact O-N 3.41Å; G173-Q176 VanDerWaalsContact O-N 3.15Å; D174-Q176 PolarHBondContact O-N 3.26Å; Q176-N179 PolarHBondContact O-N 3.26Å; Q176-A180 PolarHBondContact O-N 2.86Å
177	Q	97.3	Very high	96.6	Very high	78 Å²	78	50 Å²	50	36%	0.364	28%	0.277	S	S	.	.	H	α-helix	trans	-63.2	-44	176.7	-176.3	169.3	-44.4	0	0	111.3	G173 D174 N179 A180 I181 V236 P238	G173-Q177 WeakPolarHBondContact O-CB 3.36Å; G173-Q177 PolarHBondContact O-N 2.98Å; D174-Q177 PolarHBondContact O-N 2.71Å; Q177-N179 PolarHBondContact O-N 3.1Å; Q177-A180 PolarHBondContact O-N 2.89Å; Q177-I181 WeakPolarHBondContact O-CG1 3.13Å; Q177-I181 PolarHBondContact O-N 3.04Å; Q177-I181 VanDerWaalsContact O-N 3.17Å; Q177-V236 PolarHBondContact NE2-O 3.29Å; Q177-P238 HydrophobicContact CB-CG 4.48Å
178	Y	98	Very high	97.1	Very high	1 Å²	1	46.8 Å²	46.8	0%	0.004	25%	0.251	C	S	.	.	H	α-helix	trans	-59.7	-45.3	173	-171.9	-97.9	0	0	0	111.4	F115 N116 P159 D174 A180 I181 I182 F239	F115-Y178 PolarHBondContact O-OH 3.18Å; N116-Y178 WeakPolarHBondContact CA-OH 3.34Å; N116-Y178 PolarHBondContact N-OH 2.73Å; P159-Y178 HydrophobicContact CB-CE1 3.99Å; P159-Y178 HydrophobicContact CG-CD1 3.94Å; P159-Y178 HydrophobicContact CG-CE1 3.74Å; D174-Y178 WeakPolarHBondContact O-CB 3.18Å; D174-Y178 PolarHBondContact O-N 3.26Å; Y178-A180 VanDerWaalsContact C-N 3.33Å; Y178-A180 PolarHBondContact O-N 2.96Å; Y178-I181 WeakPolarHBondContact O-CB 3.43Å; Y178-I181 PolarHBondContact O-N 3.46Å; Y178-I182 HydrophobicContact CD1-CG1 3.9Å; Y178-I182 HydrophobicContact CE1-CD1 4.07Å; Y178-I182 HydrophobicContact CE1-CG1 3.45Å; Y178-I182 VanDerWaalsContact CE1-CG1 3.45Å; Y178-I182 HydrophobicContact CE2-CD1 4.31Å; Y178-I182 HydrophobicContact CE2-CG1 4.4Å; Y178-I182 WeakPolarHBondContact O-CG1 3.49Å; Y178-I182 PolarHBondContact O-N 3.23Å; Y178-F239 AromaticContact CD2-CD2 3.85Å; Y178-F239 HydrophobicContact CD2-CD2 3.85Å; Y178-F239 AromaticContact CD2-CE2 3.64Å; Y178-F239 HydrophobicContact CD2-CE2 3.64Å; Y178-F239 AromaticContact CE2-CD2 3.61Å; Y178-F239 HydrophobicContact CE2-CD2 3.61Å; Y178-F239 AromaticContact CE2-CE2 3.48Å; Y178-F239 HydrophobicContact CE2-CE2 3.48Å; Y178-F239 VanDerWaalsContact CE2-CE2 3.48Å; Y178-F239 HydrophobicContact CG-CE2 4.32Å
179	N	98.6	Very high	97.4	Very high	36 Å²	36	42 Å²	42	19%	0.193	22%	0.222	C	C	.	.	H	α-helix	trans	-61.3	-38.2	176.5	-79.7	10.4	0	0	0	113	P80 D157 P159 A175 Q176 Q177 I181 I182 T183	P80-N179 HydrophobicContact CB-CB 4.2Å; P80-N179 WeakPolarHBondContact CB-O 3.26Å; P80-N179 HydrophobicContact CG-CB 4.41Å; D157-N179 PolarHBondContact O-ND2 3.02Å; P159-N179 VanDerWaalsContact CD-OD1 3.3Å; P159-N179 WeakPolarHBondContact CD-OD1 3.35Å; A175-N179 WeakPolarHBondContact O-CB 3.37Å; A175-N179 PolarHBondContact O-N 2.98Å; A175-N179 PolarHBondContact O-OD1 2.81Å; Q176-N179 PolarHBondContact O-N 3.26Å; Q177-N179 PolarHBondContact O-N 3.1Å; N179-I181 VanDerWaalsContact C-N 3.34Å; N179-I182 PolarHBondContact O-N 2.9Å; N179-T183 VanDerWaalsContact O-CB 3.29Å; N179-T183 WeakPolarHBondContact O-CB 3.28Å; N179-T183 PolarHBondContact O-N 2.89Å; N179-T183 PolarHBondContact O-OG1 3.08Å
180	A	98.5	Very high	97.6	Very high	24 Å²	24	38.6 Å²	38.6	20%	0.198	21%	0.206	C	C	.	.	H	α-helix	trans	-61.4	-44.3	176.1	0	0	0	0	0	111.2	Q176 Q177 Y178 T183 H184 F246	Q176-A180 PolarHBondContact O-N 2.86Å; Q177-A180 PolarHBondContact O-N 2.89Å; Y178-A180 VanDerWaalsContact C-N 3.33Å; Y178-A180 PolarHBondContact O-N 2.96Å; A180-T183 PolarHBondContact O-N 3.06Å; A180-H184 PolarHBondContact O-N 3.45Å; A180-F246 HydrophobicContact CB-CE1 4.34Å; A180-F246 HydrophobicContact CB-CZ 4.11Å
181	I	98.5	Very high	97.9	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-59.8	-53.9	175.1	-65.7	171.3	0	0	0	110.2	Q177 Y178 N179 T183 H184 E185 M235 V236 D237 R243 F246	Q177-I181 WeakPolarHBondContact O-CG1 3.13Å; Q177-I181 PolarHBondContact O-N 3.04Å; Q177-I181 VanDerWaalsContact O-N 3.17Å; Y178-I181 WeakPolarHBondContact O-CB 3.43Å; Y178-I181 PolarHBondContact O-N 3.46Å; N179-I181 VanDerWaalsContact C-N 3.34Å; I181-T183 VanDerWaalsContact C-N 3.3Å; I181-T183 PolarHBondContact O-N 3.16Å; I181-H184 WeakPolarHBondContact O-CB 3.42Å; I181-H184 PolarHBondContact O-N 2.94Å; I181-E185 HydrophobicContact CG2-CG 4.28Å; I181-E185 WeakPolarHBondContact O-CB 3.42Å; I181-E185 VanDerWaalsContact O-CG 3.31Å; I181-E185 WeakPolarHBondContact O-CG 3.36Å; I181-E185 PolarHBondContact O-N 3.23Å; I181-M235 HydrophobicContact CB-SD 4.37Å; I181-M235 HydrophobicContact CD1-CB 4.11Å; I181-M235 HydrophobicContact CG1-CB 3.93Å; I181-M235 HydrophobicContact CG1-CG 4.06Å; I181-M235 HydrophobicContact CG1-SD 4.29Å; I181-M235 HydrophobicContact CG2-SD 3.88Å; I181-V236 WeakPolarHBondContact CD1-O 3.43Å; I181-D237 HydrophobicContact CD1-CB 4.31Å; I181-R243 HydrophobicContact CG2-CG 4.49Å; I181-F246 HydrophobicContact CG1-CE1 4.35Å; I181-F246 HydrophobicContact CG1-CZ 3.85Å
182	I	98.7	Very high	98.1	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-61.2	-40.1	-178.5	-62.4	-45.5	0	0	0	111.2	P80 Y81 F115 Y178 N179 H184 E185 T186	P80-I182 HydrophobicContact CB-CB 3.87Å; P80-I182 HydrophobicContact CB-CG2 3.76Å; P80-I182 HydrophobicContact CG-CB 4.2Å; P80-I182 HydrophobicContact CG-CG2 3.9Å; Y81-I182 HydrophobicContact CD1-CG2 3.8Å; Y81-I182 HydrophobicContact CE1-CG2 3.45Å; Y81-I182 VanDerWaalsContact CE1-CG2 3.45Å; Y81-I182 HydrophobicContact CE2-CG2 4.39Å; Y81-I182 HydrophobicContact CG-CG2 4.42Å; F115-I182 WeakPolarHBondContact O-CD1 3.4Å; Y178-I182 HydrophobicContact CD1-CG1 3.9Å; Y178-I182 HydrophobicContact CE1-CD1 4.07Å; Y178-I182 HydrophobicContact CE1-CG1 3.45Å; Y178-I182 VanDerWaalsContact CE1-CG1 3.45Å; Y178-I182 HydrophobicContact CE2-CD1 4.31Å; Y178-I182 HydrophobicContact CE2-CG1 4.4Å; Y178-I182 WeakPolarHBondContact O-CG1 3.49Å; Y178-I182 PolarHBondContact O-N 3.23Å; N179-I182 PolarHBondContact O-N 2.9Å; I182-H184 PolarHBondContact O-N 3.17Å; I182-E185 PolarHBondContact O-N 2.86Å; I182-T186 VanDerWaalsContact O-CB 3.28Å; I182-T186 WeakPolarHBondContact O-CB 3.39Å; I182-T186 PolarHBondContact O-N 3Å; I182-T186 PolarHBondContact O-OG1 2.95Å
183	T	98.8	Very high	98.2	Very high	27 Å²	27	21.3 Å²	21.3	17%	0.166	11%	0.113	C	C	.	.	H	α-helix	trans	-59.7	-47.1	176.4	-58.1	0	0	0	0	111.9	P80 N179 A180 I181 I187 V223	P80-T183 WeakPolarHBondContact CB-OG1 3.41Å; P80-T183 WeakPolarHBondContact O-CA 3.29Å; N179-T183 VanDerWaalsContact O-CB 3.29Å; N179-T183 WeakPolarHBondContact O-CB 3.28Å; N179-T183 PolarHBondContact O-N 2.89Å; N179-T183 PolarHBondContact O-OG1 3.08Å; A180-T183 PolarHBondContact O-N 3.06Å; I181-T183 VanDerWaalsContact C-N 3.3Å; I181-T183 PolarHBondContact O-N 3.16Å; T183-I187 PolarHBondContact O-N 2.93Å; T183-V223 HydrophobicContact CG2-CG1 3.62Å
184	H	98.8	Very high	98.4	Very high	3 Å²	3	20.1 Å²	20.1	1%	0.014	10%	0.101	C	C	.	.	H	α-helix	trans	-59.9	-49	176.1	177.7	-92.8	0	0	0	111.6	A180 I181 I182 T186 I187 R188 F246 D247 Y248 L251	A180-H184 PolarHBondContact O-N 3.45Å; I181-H184 WeakPolarHBondContact O-CB 3.42Å; I181-H184 PolarHBondContact O-N 2.94Å; I182-H184 PolarHBondContact O-N 3.17Å; H184-T186 VanDerWaalsContact C-N 3.35Å; H184-T186 PolarHBondContact O-N 3.1Å; H184-I187 PolarHBondContact O-N 3.25Å; H184-R188 WeakPolarHBondContact O-CB 3.08Å; H184-R188 PolarHBondContact O-N 3.42Å; H184-F246 HydrophobicContact CB-CD1 3.73Å; H184-F246 HydrophobicContact CB-CE1 3.9Å; H184-F246 AromaticContact CD2-CD1 3.95Å; H184-F246 AromaticContact CG-CD1 3.77Å; H184-D247 PolarHBondContact NE2-N 2.71Å; H184-Y248 HydrophobicContact CB-CE1 4.32Å; H184-Y248 AromaticContact CD2-CE1 3.86Å; H184-Y248 AromaticContact CD2-CE2 3.91Å; H184-Y248 AromaticContact CD2-CZ 3.8Å; H184-L251 VanDerWaalsContact CD2-CD1 3.45Å; H184-L251 WeakPolarHBondContact CD2-CD1 3.37Å; H184-L251 WeakPolarHBondContact NE2-CD1 3.35Å
185	E	98.8	Very high	98.4	Very high	6 Å²	6	19.6 Å²	19.6	3%	0.028	10%	0.099	C	C	.	.	H	α-helix	trans	-68.5	-32.5	-177.3	-67.5	-58	118.5	0	0	112.7	V113 F115 I181 I182 R188 C189 M235	V113-E185 HydrophobicContact CG1-CB 3.89Å; V113-E185 HydrophobicContact CG1-CG 4.16Å; V113-E185 WeakPolarHBondContact CG2-OE2 3.43Å; F115-E185 HydrophobicContact CE1-CB 4Å; I181-E185 HydrophobicContact CG2-CG 4.28Å; I181-E185 WeakPolarHBondContact O-CB 3.42Å; I181-E185 VanDerWaalsContact O-CG 3.31Å; I181-E185 WeakPolarHBondContact O-CG 3.36Å; I181-E185 PolarHBondContact O-N 3.23Å; I182-E185 PolarHBondContact O-N 2.86Å; E185-R188 PolarHBondContact O-N 3.17Å; E185-R188 IonicContact OE1-CZ 2.75Å; E185-R188 IonicContact OE1-NE 2.61Å; E185-R188 PolarHBondContact OE1-NE 3.49Å; E185-R188 VanDerWaalsContact OE1-NE 3.13Å; E185-R188 IonicContact OE1-NH2 3.09Å; E185-R188 IonicContact OE2-CZ 3.66Å; E185-R188 IonicContact OE2-NE 4Å; E185-R188 PolarHBondContact OE2-NE 3.17Å; E185-R188 IonicContact OE2-NH2 3.77Å; E185-R188 PolarHBondContact OE2-NH2 3.4Å; E185-C189 WeakPolarHBondContact O-CB 3.38Å; E185-C189 PolarHBondContact O-N 3.45Å; E185-M235 HydrophobicContact CG-SD 4.25Å; E185-M235 WeakPolarHBondContact OE1-CE 3.43Å
186	T	98.9	Very high	98.4	Very high	2 Å²	2	22.2 Å²	22.2	1%	0.012	11%	0.109	C	C	.	.	I	π-helix	trans	-59	-52	171.6	-68.1	0	0	0	0	110.1	P80 Y81 F86 I182 H184 R188 A190 V191	P80-T186 WeakPolarHBondContact O-CB 3.27Å; P80-T186 PolarHBondContact O-OG1 3.38Å; Y81-T186 WeakPolarHBondContact O-CG2 3.42Å; F86-T186 HydrophobicContact CE2-CG2 4.36Å; F86-T186 HydrophobicContact CZ-CG2 4.18Å; I182-T186 VanDerWaalsContact O-CB 3.28Å; I182-T186 WeakPolarHBondContact O-CB 3.39Å; I182-T186 PolarHBondContact O-N 3Å; I182-T186 PolarHBondContact O-OG1 2.95Å; H184-T186 VanDerWaalsContact C-N 3.35Å; H184-T186 PolarHBondContact O-N 3.1Å; T186-R188 VanDerWaalsContact C-N 3.32Å; T186-R188 PolarHBondContact O-N 3.25Å; T186-A190 HydrophobicContact CG2-CB 4.24Å; T186-A190 CarbonylContact O-C 3.44Å; T186-A190 VanDerWaalsContact O-CA 3.27Å; T186-A190 WeakPolarHBondContact O-CA 3.32Å; T186-A190 VanDerWaalsContact O-CB 3.26Å; T186-A190 WeakPolarHBondContact O-CB 3.36Å; T186-A190 PolarHBondContact O-N 3.33Å; T186-V191 PolarHBondContact O-N 2.69Å
187	I	98.9	Very high	98.3	Very high	4 Å²	4	21.4 Å²	21.4	2%	0.021	10%	0.1	C	C	.	.	I	π-helix	trans	-64	-41	177.9	-65	174.3	0	0	0	110.8	T183 H184 V191 C192 Y220 V223 L251 L255	T183-I187 PolarHBondContact O-N 2.93Å; H184-I187 PolarHBondContact O-N 3.25Å; I187-V191 WeakPolarHBondContact O-CB 3.38Å; I187-C192 PolarHBondContact O-N 3.05Å; I187-C192 PolarHBondContact O-SG 3.04Å; I187-Y220 HydrophobicContact CG1-CD1 4.29Å; I187-V223 HydrophobicContact CD1-CB 3.9Å; I187-V223 HydrophobicContact CD1-CG1 3.54Å; I187-L251 HydrophobicContact CB-CD1 4.09Å; I187-L251 HydrophobicContact CG2-CB 4.22Å; I187-L251 HydrophobicContact CG2-CD1 3.9Å; I187-L251 HydrophobicContact CG2-CD2 4.38Å; I187-L251 HydrophobicContact CG2-CG 4.4Å; I187-L255 HydrophobicContact CG2-CD1 3.93Å; I187-L255 HydrophobicContact CG2-CD2 4.31Å; I187-L255 HydrophobicContact CG2-CG 4.35Å
188	R	98.7	Very high	98.3	Very high	56 Å²	56	23.9 Å²	23.9	21%	0.211	11%	0.106	C	C	.	.	I	π-helix	trans	-64.4	-51	-178.3	-169.5	178.6	69.4	79.4	-13.6	112.6	H184 E185 T186 C192 D193 L251 R254	H184-R188 WeakPolarHBondContact O-CB 3.08Å; H184-R188 PolarHBondContact O-N 3.42Å; E185-R188 PolarHBondContact O-N 3.17Å; E185-R188 IonicContact OE1-CZ 2.75Å; E185-R188 IonicContact OE1-NE 2.61Å; E185-R188 PolarHBondContact OE1-NE 3.49Å; E185-R188 VanDerWaalsContact OE1-NE 3.13Å; E185-R188 IonicContact OE1-NH2 3.09Å; E185-R188 IonicContact OE2-CZ 3.66Å; E185-R188 IonicContact OE2-NE 4Å; E185-R188 PolarHBondContact OE2-NE 3.17Å; E185-R188 IonicContact OE2-NH2 3.77Å; E185-R188 PolarHBondContact OE2-NH2 3.4Å; T186-R188 VanDerWaalsContact C-N 3.32Å; T186-R188 PolarHBondContact O-N 3.25Å; R188-C192 WeakPolarHBondContact O-CB 3.42Å; R188-D193 IonicContact NH1-OD2 3.99Å; R188-D193 VanDerWaalsContact O-CG 3.25Å; R188-D193 PolarHBondContact O-N 3.4Å; R188-L251 HydrophobicContact CB-CD1 4.49Å; R188-L251 HydrophobicContact CB-CD2 3.71Å; R188-L251 HydrophobicContact CG-CD2 3.89Å; R188-R254 PolarHBondContact O-NH1 3.44Å
189	C	98.4	Very high	97.9	Very high	1 Å²	1	25 Å²	25	1%	0.007	11%	0.112	C	C	.	.	I	π-helix	trans	-103.2	-49.9	-168.9	-75.8	0	0	0	0	112.6	T107 G109 F115 E185 V191 D193 V194	T107-C189 HydrophobicContact CG2-CB 4.45Å; G109-C189 WeakPolarHBondContact CA-SG 3.27Å; F115-C189 HydrophobicContact CE2-CB 4.39Å; F115-C189 HydrophobicContact CZ-CB 3.75Å; E185-C189 WeakPolarHBondContact O-CB 3.38Å; E185-C189 PolarHBondContact O-N 3.45Å; C189-V191 VanDerWaalsContact C-N 3.3Å; C189-V191 PolarHBondContact O-N 3.02Å; C189-D193 WeakPolarHBondContact CA-OD2 3.41Å; C189-D193 WeakPolarHBondContact O-CB 3.41Å; C189-D193 PolarHBondContact SG-OD2 3.13Å; C189-V194 WeakPolarHBondContact O-CG2 3.39Å; C189-V194 PolarHBondContact O-N 3.38Å
190	A	98.7	Very high	97.7	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	14%	0.139	C	C	.	.	I	π-helix	trans	-76.7	-17.1	-177.8	0	0	0	0	0	112.9	F85 F86 T107 T186	F85-A190 WeakPolarHBondContact CA-O 3.32Å; F85-A190 WeakPolarHBondContact CB-O 3.47Å; F85-A190 WeakPolarHBondContact CD2-O 3.17Å; F85-A190 PolarHBondContact N-O 3.5Å; F86-A190 HydrophobicContact CD1-CB 4.27Å; F86-A190 HydrophobicContact CD2-CB 4.35Å; F86-A190 HydrophobicContact CE1-CB 3.86Å; F86-A190 HydrophobicContact CE2-CB 3.94Å; F86-A190 HydrophobicContact CG-CB 4.49Å; F86-A190 HydrophobicContact CZ-CB 3.66Å; T107-A190 HydrophobicContact CG2-CB 3.79Å; T186-A190 HydrophobicContact CG2-CB 4.24Å; T186-A190 CarbonylContact O-C 3.44Å; T186-A190 VanDerWaalsContact O-CA 3.27Å; T186-A190 WeakPolarHBondContact O-CA 3.32Å; T186-A190 VanDerWaalsContact O-CB 3.26Å; T186-A190 WeakPolarHBondContact O-CB 3.36Å; T186-A190 PolarHBondContact O-N 3.33Å
191	V	98.8	Very high	97.5	Very high	0 Å²	0	29 Å²	29	0%	0	13%	0.134	C	C	.	.	I	π-helix	trans	-108.7	-68.4	173.8	-175.7	0	0	0	0	110.7	F85 T186 I187 C189 V194 L195 F213 Y220 L255	F85-V191 HydrophobicContact CE2-CG1 4.36Å; T186-V191 PolarHBondContact O-N 2.69Å; I187-V191 WeakPolarHBondContact O-CB 3.38Å; C189-V191 VanDerWaalsContact C-N 3.3Å; C189-V191 PolarHBondContact O-N 3.02Å; V191-V194 PolarHBondContact O-N 3.34Å; V191-L195 HydrophobicContact CG1-CD1 3.98Å; V191-L195 PolarHBondContact O-N 3.49Å; V191-F213 HydrophobicContact CG1-CD2 3.83Å; V191-F213 HydrophobicContact CG1-CE2 4.01Å; V191-Y220 HydrophobicContact CG1-CD2 4.22Å; V191-Y220 HydrophobicContact CG1-CE1 4.42Å; V191-Y220 HydrophobicContact CG1-CE2 3.81Å; V191-Y220 HydrophobicContact CG2-CD1 4.35Å; V191-Y220 HydrophobicContact CG2-CE1 3.67Å; V191-Y220 HydrophobicContact CG2-CE2 4.48Å; V191-L255 HydrophobicContact CG1-CD2 4.06Å
192	C	98.7	Very high	97.5	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	14%	0.142	C	C	.	.	I	π-helix	trans	-68.9	-48.3	-169.8	-59.3	0	0	0	0	112.6	I187 R188 V194 L195 E196 R254 L258	I187-C192 PolarHBondContact O-N 3.05Å; I187-C192 PolarHBondContact O-SG 3.04Å; R188-C192 WeakPolarHBondContact O-CB 3.42Å; C192-V194 VanDerWaalsContact C-N 3.28Å; C192-V194 PolarHBondContact O-N 3.3Å; C192-L195 PolarHBondContact O-N 2.64Å; C192-E196 WeakPolarHBondContact O-CB 3.3Å; C192-E196 WeakPolarHBondContact O-CG 3.45Å; C192-E196 PolarHBondContact O-N 2.92Å; C192-R254 HydrophobicContact CB-CB 4.44Å; C192-L258 HydrophobicContact CB-CD1 4.19Å
193	D	98.4	Very high	97.3	Very high	7 Å²	7	34.3 Å²	34.3	4%	0.037	17%	0.171	C	C	.	.	I	π-helix	trans	-62.5	-35.3	-179.9	-65.5	-17.4	0	0	0	112.1	R188 C189 R197 R198 R254	R188-D193 IonicContact NH1-OD2 3.99Å; R188-D193 VanDerWaalsContact O-CG 3.25Å; R188-D193 PolarHBondContact O-N 3.4Å; C189-D193 WeakPolarHBondContact CA-OD2 3.41Å; C189-D193 WeakPolarHBondContact O-CB 3.41Å; C189-D193 PolarHBondContact SG-OD2 3.13Å; D193-R197 PolarHBondContact O-N 3.43Å; D193-R198 HydrophobicContact CB-CB 4.16Å; D193-R198 HydrophobicContact CB-CG 4.23Å; D193-R198 WeakPolarHBondContact O-CB 3.24Å; D193-R198 PolarHBondContact O-N 3.01Å; D193-R198 WeakPolarHBondContact OD1-CD 3.39Å; D193-R198 IonicContact OD1-CZ 3.33Å; D193-R198 IonicContact OD1-NE 3.3Å; D193-R198 PolarHBondContact OD1-NE 3.38Å; D193-R198 IonicContact OD1-NH1 3.34Å; D193-R198 PolarHBondContact OD1-NH1 3.44Å; D193-R254 IonicContact OD1-CZ 3.7Å; D193-R254 IonicContact OD1-NH1 3.34Å; D193-R254 IonicContact OD1-NH2 2.68Å; D193-R254 PolarHBondContact OD1-NH2 3.27Å
194	V	98.4	Very high	97.2	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-65.5	-51.4	176.2	174.4	0	0	0	0	111.2	F85 L87 T107 C189 V191 C192 E196 R197 F201 V209	F85-V194 HydrophobicContact CB-CG1 4.18Å; F85-V194 HydrophobicContact CB-CG2 4.48Å; L87-V194 HydrophobicContact CD1-CG1 4.2Å; L87-V194 HydrophobicContact CD1-CG2 4.18Å; T107-V194 HydrophobicContact CG2-CG2 4.45Å; C189-V194 WeakPolarHBondContact O-CG2 3.39Å; C189-V194 PolarHBondContact O-N 3.38Å; V191-V194 PolarHBondContact O-N 3.34Å; C192-V194 VanDerWaalsContact C-N 3.28Å; C192-V194 PolarHBondContact O-N 3.3Å; V194-E196 VanDerWaalsContact C-N 3.31Å; V194-E196 PolarHBondContact O-N 3.17Å; V194-R197 WeakPolarHBondContact O-CA 3.21Å; V194-R197 PolarHBondContact O-N 2.87Å; V194-F201 HydrophobicContact CG1-CE1 3.89Å; V194-F201 HydrophobicContact CG1-CZ 3.64Å; V194-V209 HydrophobicContact CG1-CG1 3.99Å; V194-V209 HydrophobicContact CG1-CG2 4.17Å
195	L	98	Very high	97.1	Very high	5 Å²	5	38.1 Å²	38.1	3%	0.026	19%	0.191	C	C	.	.	H	α-helix	trans	-66.4	-33.5	179.4	-79.9	159.8	0	0	0	112.7	V191 C192 R197 Y206 V209 E210 F213 L258 L262	V191-L195 HydrophobicContact CG1-CD1 3.98Å; V191-L195 PolarHBondContact O-N 3.49Å; C192-L195 PolarHBondContact O-N 2.64Å; L195-R197 PolarHBondContact O-N 3.4Å; L195-Y206 PolarHBondContact O-OH 2.91Å; L195-V209 HydrophobicContact CD2-CG1 3.69Å; L195-V209 HydrophobicContact CG-CG1 3.89Å; L195-E210 HydrophobicContact CD2-CG 4.31Å; L195-F213 HydrophobicContact CD1-CB 3.88Å; L195-F213 HydrophobicContact CD1-CD1 4.22Å; L195-F213 HydrophobicContact CD1-CD2 3.16Å; L195-F213 HydrophobicContact CD1-CE2 3.64Å; L195-F213 HydrophobicContact CD1-CG 3.47Å; L195-F213 VanDerWaalsContact CD1-CG 3.47Å; L195-F213 HydrophobicContact CD1-CZ 4.33Å; L195-F213 HydrophobicContact CD2-CB 4.36Å; L195-F213 HydrophobicContact CD2-CG 4.47Å; L195-L258 HydrophobicContact CB-CD1 3.86Å; L195-L258 HydrophobicContact CB-CD2 3.81Å; L195-L258 HydrophobicContact CB-CG 4.41Å; L195-L258 HydrophobicContact CD1-CD1 4.11Å; L195-L262 HydrophobicContact CD2-CD1 4.46Å
196	E	97.5	Very high	97.1	Very high	64 Å²	64	38.4 Å²	38.4	30%	0.299	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73	2.8	171.2	-69.5	172.2	-170.2	0	0	113.1	C192 V194 R198 R254 L258	C192-E196 WeakPolarHBondContact O-CB 3.3Å; C192-E196 WeakPolarHBondContact O-CG 3.45Å; C192-E196 PolarHBondContact O-N 2.92Å; V194-E196 VanDerWaalsContact C-N 3.31Å; V194-E196 PolarHBondContact O-N 3.17Å; E196-R198 HydrophobicContact CB-CG 4.15Å; E196-R198 PolarHBondContact O-N 3.24Å; E196-R198 IonicContact OE2-CZ 3.14Å; E196-R198 IonicContact OE2-NE 2.83Å; E196-R198 PolarHBondContact OE2-NE 3.32Å; E196-R198 IonicContact OE2-NH2 2.72Å; E196-R198 PolarHBondContact OE2-NH2 3.09Å; E196-R254 IonicContact OE1-CZ 3.64Å; E196-R254 IonicContact OE1-NE 3.61Å; E196-R254 PolarHBondContact OE1-NE 3.11Å; E196-R254 IonicContact OE1-NH2 3.07Å; E196-R254 PolarHBondContact OE1-NH2 3.35Å; E196-R254 VanDerWaalsContact OE1-NH2 3.07Å; E196-R254 IonicContact OE2-CZ 3.4Å; E196-R254 IonicContact OE2-NE 2.91Å; E196-R254 IonicContact OE2-NH2 2.76Å; E196-R254 PolarHBondContact OE2-NH2 3.35Å; E196-L258 HydrophobicContact CG-CD1 4.49Å; E196-L258 HydrophobicContact CG-CD2 4.01Å
197	R	95.7	Very high	96.9	Very high	135 Å²	135	41 Å²	41	51%	0.509	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.7	34.3	176.8	-60.2	176.1	171.9	-93.5	4.5	113.3	D193 V194 L195 T199 Y206	D193-R197 PolarHBondContact O-N 3.43Å; V194-R197 WeakPolarHBondContact O-CA 3.21Å; V194-R197 PolarHBondContact O-N 2.87Å; L195-R197 PolarHBondContact O-N 3.4Å; R197-T199 PolarHBondContact O-N 3.22Å; R197-Y206 HydrophobicContact CG-CD2 4.29Å; R197-Y206 HydrophobicContact CG-CE2 3.51Å; R197-Y206 VanDerWaalsContact NE-CZ 3.32Å; R197-Y206 PolarHBondContact NE-OH 2.88Å
198	R	95.9	Very high	96.8	Very high	130 Å²	130	43 Å²	43	49%	0.491	23%	0.226	S	C	.	.			trans	-71.6	-17.7	173.6	-57.5	-168.3	-171.8	-165.4	-2.5	112.6	D193 E196	D193-R198 HydrophobicContact CB-CB 4.16Å; D193-R198 HydrophobicContact CB-CG 4.23Å; D193-R198 WeakPolarHBondContact O-CB 3.24Å; D193-R198 PolarHBondContact O-N 3.01Å; D193-R198 WeakPolarHBondContact OD1-CD 3.39Å; D193-R198 IonicContact OD1-CZ 3.33Å; D193-R198 IonicContact OD1-NE 3.3Å; D193-R198 PolarHBondContact OD1-NE 3.38Å; D193-R198 IonicContact OD1-NH1 3.34Å; D193-R198 PolarHBondContact OD1-NH1 3.44Å; E196-R198 HydrophobicContact CB-CG 4.15Å; E196-R198 PolarHBondContact O-N 3.24Å; E196-R198 IonicContact OE2-CZ 3.14Å; E196-R198 IonicContact OE2-NE 2.83Å; E196-R198 PolarHBondContact OE2-NE 3.32Å; E196-R198 IonicContact OE2-NH2 2.72Å; E196-R198 PolarHBondContact OE2-NH2 3.09Å
199	T	91.2	Very high	96.8	Very high	24 Å²	24	40.4 Å²	40.4	15%	0.147	22%	0.216	C	C	.	.	S	Bend	trans	-114.3	136.3	172.8	-55.5	0	0	0	0	109	L87 M106 R197 F201	L87-T199 HydrophobicContact CD1-CG2 4.04Å; M106-T199 HydrophobicContact CB-CG2 4.07Å; M106-T199 HydrophobicContact CE-CG2 3.84Å; R197-T199 PolarHBondContact O-N 3.22Å; T199-F201 VanDerWaalsContact O-CD1 3.24Å; T199-F201 WeakPolarHBondContact O-CD1 3.38Å; T199-F201 WeakPolarHBondContact O-CE1 3.45Å
200	T	92.8	Very high	96.8	Very high	123 Å²	123	42 Å²	42	76%	0.755	22%	0.223	S	C	*	.			trans	-90.2	129	176.6	-56.1	0	0	0	0	110.9	M106	M106-T200 VanDerWaalsContact CE-O 3.28Å; M106-T200 WeakPolarHBondContact CE-O 3.43Å
201	F	95.9	Very high	96.6	Very high	21 Å²	21	45.4 Å²	45.4	9%	0.092	25%	0.247	C	C	.	.			trans	-158.8	166.7	178.4	60.2	-83.8	0	0	0	110	Y70 L87 V194 T199 L205 Y206 V209	Y70-F201 HydrophobicContact CD1-CB 4.39Å; L87-F201 HydrophobicContact CD1-CB 4.3Å; L87-F201 HydrophobicContact CD1-CD1 3.29Å; L87-F201 HydrophobicContact CD1-CD2 4.25Å; L87-F201 HydrophobicContact CD1-CE1 3.47Å; L87-F201 VanDerWaalsContact CD1-CE1 3.47Å; L87-F201 HydrophobicContact CD1-CE2 4.35Å; L87-F201 HydrophobicContact CD1-CG 3.72Å; L87-F201 HydrophobicContact CD1-CZ 3.98Å; L87-F201 HydrophobicContact CD2-CB 4.24Å; L87-F201 HydrophobicContact CD2-CD1 4.32Å; L87-F201 HydrophobicContact CD2-CD2 3.78Å; L87-F201 HydrophobicContact CD2-CE2 4.07Å; L87-F201 HydrophobicContact CD2-CG 3.88Å; L87-F201 HydrophobicContact CD2-CZ 4.47Å; L87-F201 HydrophobicContact CG-CD1 4.44Å; L87-F201 HydrophobicContact CG-CG 4.46Å; V194-F201 HydrophobicContact CG1-CE1 3.89Å; V194-F201 HydrophobicContact CG1-CZ 3.64Å; T199-F201 VanDerWaalsContact O-CD1 3.24Å; T199-F201 WeakPolarHBondContact O-CD1 3.38Å; T199-F201 WeakPolarHBondContact O-CE1 3.45Å; F201-L205 HydrophobicContact CD2-CB 3.82Å; F201-L205 HydrophobicContact CE2-CB 4.07Å; F201-Y206 HydrophobicContact CE1-CD2 4.3Å; F201-Y206 HydrophobicContact CE2-CD2 4.04Å; F201-Y206 HydrophobicContact CE2-CG 4.44Å; F201-Y206 AromaticContact CZ-CD2 3.55Å; F201-Y206 HydrophobicContact CZ-CD2 3.55Å; F201-Y206 HydrophobicContact CZ-CE2 4.42Å; F201-Y206 HydrophobicContact CZ-CG 4.37Å; F201-V209 HydrophobicContact CE2-CG2 4.46Å
202	P	96.7	Very high	96.6	Very high	25 Å²	25	46.5 Å²	46.5	16%	0.162	25%	0.254	C	S	.	.			trans	-58.2	142.7	-176.3	-27.5	35.9	0	0	0	114.3	V60 Y70 D204 L205 Y206	V60-P202 HydrophobicContact CB-CB 4.36Å; V60-P202 HydrophobicContact CB-CG 4.35Å; V60-P202 HydrophobicContact CG1-CB 3.84Å; V60-P202 HydrophobicContact CG1-CG 4.01Å; Y70-P202 HydrophobicContact CD1-CG 4.39Å; Y70-P202 HydrophobicContact CD2-CG 3.36Å; Y70-P202 HydrophobicContact CE2-CG 3.81Å; Y70-P202 HydrophobicContact CG-CG 3.67Å; P202-D204 PolarHBondContact O-N 2.84Å; P202-L205 PolarHBondContact O-N 2.94Å; P202-L205 VanDerWaalsContact O-N 3.16Å; P202-Y206 PolarHBondContact O-N 2.83Å
203	S	95.8	Very high	96.6	Very high	88 Å²	88	46.5 Å²	46.5	62%	0.615	25%	0.254	S	S	*	.	H	α-helix	trans	-59.8	-32.2	179.5	-61.4	0	0	0	0	113.2	L205 Y206 A207	S203-L205 VanDerWaalsContact C-N 3.33Å; S203-L205 PolarHBondContact O-N 3.5Å; S203-Y206 WeakPolarHBondContact O-CA 3.28Å; S203-Y206 WeakPolarHBondContact O-CB 3.36Å; S203-Y206 PolarHBondContact O-N 2.91Å; S203-A207 PolarHBondContact O-N 3.4Å
204	D	96.3	Very high	96.5	Very high	108 Å²	108	50 Å²	50	58%	0.578	27%	0.271	S	S	*	.	H	α-helix	trans	-60.2	-41.8	177	-54.8	-91.3	0	0	0	111.9	V60 P202 Y206 A207 V208	V60-D204 HydrophobicContact CG2-CB 3.95Å; P202-D204 PolarHBondContact O-N 2.84Å; D204-Y206 VanDerWaalsContact C-N 3.34Å; D204-A207 PolarHBondContact O-N 2.79Å; D204-V208 PolarHBondContact O-N 3.26Å
205	L	97.6	Very high	96.5	Very high	2 Å²	2	56.2 Å²	56.2	1%	0.01	30%	0.304	C	S	.	.	H	α-helix	trans	-70.6	-32.4	173.5	-68.3	-176.7	0	0	0	111.6	C58 V60 L72 L87 F201 P202 S203 A207 V208 V209	C58-L205 HydrophobicContact CB-CD2 3.79Å; V60-L205 HydrophobicContact CB-CG 4.21Å; V60-L205 HydrophobicContact CG2-CD1 4.46Å; V60-L205 HydrophobicContact CG2-CD2 3.67Å; V60-L205 HydrophobicContact CG2-CG 3.66Å; L72-L205 HydrophobicContact CB-CD1 4.32Å; L72-L205 HydrophobicContact CB-CD2 3.94Å; L87-L205 HydrophobicContact CD2-CD1 4.32Å; F201-L205 HydrophobicContact CD2-CB 3.82Å; F201-L205 HydrophobicContact CE2-CB 4.07Å; P202-L205 PolarHBondContact O-N 2.94Å; P202-L205 VanDerWaalsContact O-N 3.16Å; S203-L205 VanDerWaalsContact C-N 3.33Å; S203-L205 PolarHBondContact O-N 3.5Å; L205-A207 VanDerWaalsContact C-N 3.32Å; L205-A207 PolarHBondContact O-N 3.47Å; L205-V208 PolarHBondContact O-N 2.65Å; L205-V209 WeakPolarHBondContact O-CG2 3.39Å; L205-V209 PolarHBondContact O-N 2.85Å
206	Y	97.4	Very high	96.5	Very high	11 Å²	11	57.5 Å²	57.5	4%	0.043	31%	0.309	C	S	.	.	H	α-helix	trans	-64.2	-38.7	176.6	-167.4	-90.6	0	0	0	111.4	L195 R197 F201 P202 S203 D204 V208 V209 E210	L195-Y206 PolarHBondContact O-OH 2.91Å; R197-Y206 HydrophobicContact CG-CD2 4.29Å; R197-Y206 HydrophobicContact CG-CE2 3.51Å; R197-Y206 VanDerWaalsContact NE-CZ 3.32Å; R197-Y206 PolarHBondContact NE-OH 2.88Å; F201-Y206 HydrophobicContact CE1-CD2 4.3Å; F201-Y206 HydrophobicContact CE2-CD2 4.04Å; F201-Y206 HydrophobicContact CE2-CG 4.44Å; F201-Y206 AromaticContact CZ-CD2 3.55Å; F201-Y206 HydrophobicContact CZ-CD2 3.55Å; F201-Y206 HydrophobicContact CZ-CE2 4.42Å; F201-Y206 HydrophobicContact CZ-CG 4.37Å; P202-Y206 PolarHBondContact O-N 2.83Å; S203-Y206 WeakPolarHBondContact O-CA 3.28Å; S203-Y206 WeakPolarHBondContact O-CB 3.36Å; S203-Y206 PolarHBondContact O-N 2.91Å; D204-Y206 VanDerWaalsContact C-N 3.34Å; Y206-V208 VanDerWaalsContact C-N 3.3Å; Y206-V208 PolarHBondContact O-N 2.85Å; Y206-V209 WeakPolarHBondContact O-CB 3.28Å; Y206-V209 PolarHBondContact O-N 2.8Å; Y206-E210 HydrophobicContact CD1-CG 3.78Å; Y206-E210 HydrophobicContact CE1-CG 3.55Å; Y206-E210 WeakPolarHBondContact CE1-OE1 3.45Å; Y206-E210 WeakPolarHBondContact O-CG 3.33Å; Y206-E210 PolarHBondContact O-N 2.88Å
207	A	96.1	Very high	96.5	Very high	56 Å²	56	55.8 Å²	55.8	46%	0.463	30%	0.3	S	S	.	.	H	α-helix	trans	-60.7	-39.3	174.7	0	0	0	0	0	112.3	S203 D204 L205 E210 S211	S203-A207 PolarHBondContact O-N 3.4Å; D204-A207 PolarHBondContact O-N 2.79Å; L205-A207 VanDerWaalsContact C-N 3.32Å; L205-A207 PolarHBondContact O-N 3.47Å; A207-E210 PolarHBondContact O-N 3.2Å; A207-S211 PolarHBondContact O-N 3.2Å; A207-S211 VanDerWaalsContact O-N 3.13Å
208	V	96.9	Very high	96.7	Very high	48 Å²	48	55.6 Å²	55.6	29%	0.291	31%	0.305	S	S	.	.	H	α-helix	trans	-63.7	-45.2	173.8	-179.3	0	0	0	0	110.9	L72 D204 L205 Y206 E210 S211 S212	L72-V208 HydrophobicContact CD2-CB 4.08Å; L72-V208 HydrophobicContact CD2-CG1 3.78Å; D204-V208 PolarHBondContact O-N 3.26Å; L205-V208 PolarHBondContact O-N 2.65Å; Y206-V208 VanDerWaalsContact C-N 3.3Å; Y206-V208 PolarHBondContact O-N 2.85Å; V208-E210 VanDerWaalsContact C-N 3.34Å; V208-E210 PolarHBondContact O-N 3.46Å; V208-S211 PolarHBondContact O-N 3.1Å; V208-S212 WeakPolarHBondContact O-CB 3.5Å; V208-S212 PolarHBondContact O-N 3.3Å; V208-S212 PolarHBondContact O-OG 3.24Å
209	V	98.2	Very high	96.8	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-57.7	-44.7	176.5	165.8	0	0	0	0	111.6	L72 F85 V194 L195 F201 L205 Y206 F213	L72-V209 HydrophobicContact CD1-CG2 4.13Å; L72-V209 HydrophobicContact CD2-CG2 3.83Å; F85-V209 HydrophobicContact CB-CG2 4.01Å; F85-V209 HydrophobicContact CD1-CG2 4.07Å; F85-V209 HydrophobicContact CD2-CB 4.46Å; F85-V209 HydrophobicContact CD2-CG1 3.64Å; F85-V209 HydrophobicContact CD2-CG2 4.34Å; F85-V209 HydrophobicContact CE2-CG1 3.84Å; F85-V209 HydrophobicContact CG-CB 4.4Å; F85-V209 HydrophobicContact CG-CG1 4.02Å; F85-V209 HydrophobicContact CG-CG2 3.86Å; F85-V209 HydrophobicContact CZ-CG1 4.39Å; V194-V209 HydrophobicContact CG1-CG1 3.99Å; V194-V209 HydrophobicContact CG1-CG2 4.17Å; L195-V209 HydrophobicContact CD2-CG1 3.69Å; L195-V209 HydrophobicContact CG-CG1 3.89Å; F201-V209 HydrophobicContact CE2-CG2 4.46Å; L205-V209 WeakPolarHBondContact O-CG2 3.39Å; L205-V209 PolarHBondContact O-N 2.85Å; Y206-V209 WeakPolarHBondContact O-CB 3.28Å; Y206-V209 PolarHBondContact O-N 2.8Å; V209-F213 VanDerWaalsContact O-CB 3.28Å; V209-F213 WeakPolarHBondContact O-CB 3.37Å; V209-F213 PolarHBondContact O-N 2.75Å
210	E	97	Very high	97.2	Very high	34 Å²	34	51.1 Å²	51.1	16%	0.159	29%	0.285	C	S	.	.	H	α-helix	trans	-63.1	-48.1	179.3	-69.5	-171.4	125.5	0	0	111.9	L195 Y206 A207 V208 S212 F213 E214 L262 R265	L195-E210 HydrophobicContact CD2-CG 4.31Å; Y206-E210 HydrophobicContact CD1-CG 3.78Å; Y206-E210 HydrophobicContact CE1-CG 3.55Å; Y206-E210 WeakPolarHBondContact CE1-OE1 3.45Å; Y206-E210 WeakPolarHBondContact O-CG 3.33Å; Y206-E210 PolarHBondContact O-N 2.88Å; A207-E210 PolarHBondContact O-N 3.2Å; V208-E210 VanDerWaalsContact C-N 3.34Å; V208-E210 PolarHBondContact O-N 3.46Å; E210-S212 PolarHBondContact O-N 2.67Å; E210-F213 PolarHBondContact O-N 3.44Å; E210-E214 PolarHBondContact O-N 2.96Å; E210-L262 HydrophobicContact CB-CD2 3.98Å; E210-L262 HydrophobicContact CG-CD2 3.74Å; E210-L262 WeakPolarHBondContact OE1-CD2 3.5Å; E210-R265 IonicContact OE1-CZ 2.76Å; E210-R265 IonicContact OE1-NH1 2.77Å; E210-R265 PolarHBondContact OE1-NH1 3.3Å; E210-R265 IonicContact OE1-NH2 2.72Å; E210-R265 PolarHBondContact OE1-NH2 3.19Å; E210-R265 IonicContact OE2-NH1 3.7Å
211	S	96.1	Very high	97.5	Very high	72 Å²	72	45.8 Å²	45.8	50%	0.503	25%	0.252	S	S	.	.	H	α-helix	trans	-59.9	-48.3	177.6	-176.1	0	0	0	0	111.5	A207 V208 F213 E214	A207-S211 PolarHBondContact O-N 3.2Å; A207-S211 VanDerWaalsContact O-N 3.13Å; V208-S211 PolarHBondContact O-N 3.1Å; S211-F213 VanDerWaalsContact C-N 3.33Å; S211-F213 PolarHBondContact O-N 3.16Å; S211-E214 PolarHBondContact O-N 3.4Å
212	S	97.7	Very high	97.6	Very high	23 Å²	23	46.8 Å²	46.8	16%	0.161	26%	0.262	C	S	.	.	H	α-helix	trans	-67.8	-31.9	179.9	-66.5	0	0	0	0	112.7	F85 V208 E210 E214 D215 Y216	F85-S212 VanDerWaalsContact CE1-CB 3.47Å; V208-S212 WeakPolarHBondContact O-CB 3.5Å; V208-S212 PolarHBondContact O-N 3.3Å; V208-S212 PolarHBondContact O-OG 3.24Å; E210-S212 PolarHBondContact O-N 2.67Å; S212-E214 VanDerWaalsContact C-N 3.26Å; S212-E214 PolarHBondContact O-N 3.48Å; S212-D215 PolarHBondContact O-N 3.3Å; S212-Y216 VanDerWaalsContact O-CD2 3.3Å; S212-Y216 WeakPolarHBondContact O-CD2 3.26Å; S212-Y216 PolarHBondContact O-N 3.3Å; S212-Y216 VanDerWaalsContact O-N 3.09Å
213	F	98.4	Very high	97.7	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-61.3	-37.8	176.6	170.3	-97.5	0	0	0	111.9	F85 V191 L195 V209 E210 S211 D215 Y216 Y217 Y220 L255 L258 N259 L262	F85-F213 HydrophobicContact CE2-CB 4.17Å; F85-F213 HydrophobicContact CZ-CB 4.19Å; V191-F213 HydrophobicContact CG1-CD2 3.83Å; V191-F213 HydrophobicContact CG1-CE2 4.01Å; L195-F213 HydrophobicContact CD1-CB 3.88Å; L195-F213 HydrophobicContact CD1-CD1 4.22Å; L195-F213 HydrophobicContact CD1-CD2 3.16Å; L195-F213 HydrophobicContact CD1-CE2 3.64Å; L195-F213 HydrophobicContact CD1-CG 3.47Å; L195-F213 VanDerWaalsContact CD1-CG 3.47Å; L195-F213 HydrophobicContact CD1-CZ 4.33Å; L195-F213 HydrophobicContact CD2-CB 4.36Å; L195-F213 HydrophobicContact CD2-CG 4.47Å; V209-F213 VanDerWaalsContact O-CB 3.28Å; V209-F213 WeakPolarHBondContact O-CB 3.37Å; V209-F213 PolarHBondContact O-N 2.75Å; E210-F213 PolarHBondContact O-N 3.44Å; S211-F213 VanDerWaalsContact C-N 3.33Å; S211-F213 PolarHBondContact O-N 3.16Å; F213-D215 VanDerWaalsContact C-N 3.33Å; F213-Y216 PolarHBondContact O-N 2.89Å; F213-Y217 AromaticContact CE1-CD2 3.99Å; F213-Y217 HydrophobicContact CE1-CD2 3.99Å; F213-Y217 HydrophobicContact CE2-CD2 4.37Å; F213-Y217 AromaticContact CZ-CD2 3.66Å; F213-Y217 HydrophobicContact CZ-CD2 3.66Å; F213-Y217 HydrophobicContact CZ-CE2 4.3Å; F213-Y217 WeakPolarHBondContact O-CA 3.41Å; F213-Y217 WeakPolarHBondContact O-CB 3.48Å; F213-Y217 PolarHBondContact O-N 3.03Å; F213-Y220 HydrophobicContact CD2-CD2 4.07Å; F213-Y220 AromaticContact CD2-CE2 3.58Å; F213-Y220 HydrophobicContact CD2-CE2 3.58Å; F213-Y220 AromaticContact CE2-CD2 3.97Å; F213-Y220 HydrophobicContact CE2-CD2 3.97Å; F213-Y220 AromaticContact CE2-CE2 3.96Å; F213-Y220 HydrophobicContact CE2-CE2 3.96Å; F213-L255 HydrophobicContact CE2-CD2 3.8Å; F213-L255 HydrophobicContact CZ-CD2 4.42Å; F213-L258 HydrophobicContact CE1-CB 4.48Å; F213-L258 HydrophobicContact CZ-CB 4.05Å; F213-N259 HydrophobicContact CE1-CB 4.04Å; F213-N259 HydrophobicContact CZ-CB 4.29Å; F213-L262 HydrophobicContact CD1-CD1 3.22Å; F213-L262 HydrophobicContact CE1-CD1 3.52Å; F213-L262 HydrophobicContact CG-CD1 4.21Å
214	E	97.2	Very high	97.8	Very high	82 Å²	82	41.5 Å²	41.5	38%	0.383	23%	0.225	S	C	.	.	H	α-helix	trans	-63.1	-41.1	176.6	-66.4	-174.1	176.3	0	0	111.5	E210 S211 S212 Y216 Y217 H266	E210-E214 PolarHBondContact O-N 2.96Å; S211-E214 PolarHBondContact O-N 3.4Å; S212-E214 VanDerWaalsContact C-N 3.26Å; S212-E214 PolarHBondContact O-N 3.48Å; E214-Y216 PolarHBondContact O-N 3.32Å; E214-Y217 PolarHBondContact O-N 3Å; E214-H266 IonicContact OE1-CE1 3.05Å; E214-H266 PolarHBondContact OE1-CE1 3.15Å; E214-H266 IonicContact OE1-ND1 2.72Å; E214-H266 PolarHBondContact OE1-ND1 3.39Å
215	D	97.4	Very high	97.9	Very high	130 Å²	130	41.8 Å²	41.8	70%	0.695	22%	0.223	S	C	*	.	H	α-helix	trans	-65	-38.8	177.8	-64.9	-32	0	0	0	112.7	S212 F213	S212-D215 PolarHBondContact O-N 3.3Å; F213-D215 VanDerWaalsContact C-N 3.33Å
216	Y	98.6	Very high	98	Very high	32 Å²	32	49.1 Å²	49.1	13%	0.125	25%	0.251	C	S	.	.	H	α-helix	trans	-91.5	-1.6	179.8	-74.4	-79.4	0	0	0	114.1	T74 F77 E82 S212 F213 E214 E218 Y219 Y220	T74-Y216 HydrophobicContact CG2-CE2 4.06Å; F77-Y216 HydrophobicContact CD1-CE1 4.33Å; F77-Y216 AromaticContact CE1-CE1 3.69Å; F77-Y216 HydrophobicContact CE1-CE1 3.69Å; F77-Y216 AromaticContact CE1-CZ 3.94Å; F77-Y216 WeakPolarHBondContact CE1-OH 3.49Å; F77-Y216 HydrophobicContact CZ-CE1 4.29Å; F77-Y216 VanDerWaalsContact CZ-OH 3.28Å; F77-Y216 WeakPolarHBondContact CZ-OH 3.33Å; E82-Y216 HydrophobicContact CG-CE1 4.13Å; S212-Y216 VanDerWaalsContact O-CD2 3.3Å; S212-Y216 WeakPolarHBondContact O-CD2 3.26Å; S212-Y216 PolarHBondContact O-N 3.3Å; S212-Y216 VanDerWaalsContact O-N 3.09Å; F213-Y216 PolarHBondContact O-N 2.89Å; E214-Y216 PolarHBondContact O-N 3.32Å; Y216-E218 PolarHBondContact O-N 3.39Å; Y216-Y219 HydrophobicContact CD1-CD1 4.25Å; Y216-Y219 WeakPolarHBondContact O-CA 3.37Å; Y216-Y219 VanDerWaalsContact O-CB 3.31Å; Y216-Y219 WeakPolarHBondContact O-CB 3.34Å; Y216-Y219 PolarHBondContact O-N 3.45Å; Y216-Y220 VanDerWaalsContact CB-CE2 3.41Å; Y216-Y220 VanDerWaalsContact CB-OH 3.26Å; Y216-Y220 WeakPolarHBondContact CB-OH 3.45Å; Y216-Y220 HydrophobicContact CG-CE1 4.46Å; Y216-Y220 WeakPolarHBondContact O-CD2 3.45Å; Y216-Y220 PolarHBondContact O-N 3.01Å
217	Y	98.7	Very high	98	Very high	28 Å²	28	50.2 Å²	50.2	11%	0.11	26%	0.257	C	S	.	.	H	α-helix	trans	-54.9	-52.4	-170.8	174	-104	0	0	0	112.6	F213 E214 Y219 Y220 I221 N259	F213-Y217 AromaticContact CE1-CD2 3.99Å; F213-Y217 HydrophobicContact CE1-CD2 3.99Å; F213-Y217 HydrophobicContact CE2-CD2 4.37Å; F213-Y217 AromaticContact CZ-CD2 3.66Å; F213-Y217 HydrophobicContact CZ-CD2 3.66Å; F213-Y217 HydrophobicContact CZ-CE2 4.3Å; F213-Y217 WeakPolarHBondContact O-CA 3.41Å; F213-Y217 WeakPolarHBondContact O-CB 3.48Å; F213-Y217 PolarHBondContact O-N 3.03Å; E214-Y217 PolarHBondContact O-N 3Å; Y217-Y219 VanDerWaalsContact C-N 3.27Å; Y217-Y219 PolarHBondContact O-N 3.07Å; Y217-Y220 PolarHBondContact O-N 3.11Å; Y217-I221 HydrophobicContact CD1-CG1 4.4Å; Y217-I221 HydrophobicContact CD2-CG1 4.41Å; Y217-I221 HydrophobicContact CE1-CD1 4.49Å; Y217-I221 HydrophobicContact CE1-CG1 3.89Å; Y217-I221 HydrophobicContact CE2-CD1 3.85Å; Y217-I221 HydrophobicContact CE2-CG1 3.92Å; Y217-I221 WeakPolarHBondContact O-CG1 3.41Å; Y217-I221 PolarHBondContact O-N 3.44Å; Y217-I221 VanDerWaalsContact O-N 3.1Å; Y217-N259 HydrophobicContact CD2-CB 3.74Å; Y217-N259 WeakPolarHBondContact CE1-ND2 3.39Å; Y217-N259 HydrophobicContact CE2-CB 3.3Å; Y217-N259 WeakPolarHBondContact CE2-ND2 3.46Å; Y217-N259 PolarHBondContact OH-ND2 3.31Å
218	E	98.6	Very high	98.2	Very high	131 Å²	131	50.9 Å²	50.9	61%	0.612	25%	0.252	S	S	*	.	H	α-helix	trans	-65.1	-32.5	-179.7	-64.3	-58.1	149.9	0	0	112.1	Y216 I221 S222	Y216-E218 PolarHBondContact O-N 3.39Å; E218-I221 PolarHBondContact O-N 3.06Å; E218-S222 WeakPolarHBondContact O-CB 3.3Å; E218-S222 PolarHBondContact O-N 3.42Å
219	Y	98.7	Very high	98.2	Very high	59 Å²	59	54.7 Å²	54.7	23%	0.231	27%	0.266	C	S	.	.	H	α-helix	trans	-60.6	-50.8	172.4	168.7	-98.3	0	0	0	110.9	E82 Y216 Y217 I221 S222 V223	E82-Y219 HydrophobicContact CB-CE1 4.19Å; E82-Y219 WeakPolarHBondContact CB-OH 3.32Å; E82-Y219 VanDerWaalsContact CD-OH 3.32Å; E82-Y219 HydrophobicContact CG-CE1 3.88Å; E82-Y219 HydrophobicContact CG-CE2 4.3Å; E82-Y219 WeakPolarHBondContact OE1-CE2 3.37Å; E82-Y219 PolarHBondContact OE2-OH 3.49Å; Y216-Y219 HydrophobicContact CD1-CD1 4.25Å; Y216-Y219 WeakPolarHBondContact O-CA 3.37Å; Y216-Y219 VanDerWaalsContact O-CB 3.31Å; Y216-Y219 WeakPolarHBondContact O-CB 3.34Å; Y216-Y219 PolarHBondContact O-N 3.45Å; Y217-Y219 VanDerWaalsContact C-N 3.27Å; Y217-Y219 PolarHBondContact O-N 3.07Å; Y219-I221 VanDerWaalsContact C-N 3.31Å; Y219-I221 PolarHBondContact O-N 3.43Å; Y219-S222 WeakPolarHBondContact O-CB 3.49Å; Y219-S222 PolarHBondContact O-N 3.38Å; Y219-S222 VanDerWaalsContact O-N 3.12Å; Y219-S222 PolarHBondContact O-OG 2.98Å; Y219-V223 HydrophobicContact CD1-CG2 4.29Å; Y219-V223 HydrophobicContact CD2-CG2 4.26Å; Y219-V223 HydrophobicContact CE1-CG2 3.85Å; Y219-V223 HydrophobicContact CE2-CG2 3.85Å; Y219-V223 HydrophobicContact CG-CG2 4.48Å; Y219-V223 WeakPolarHBondContact O-CG2 3.39Å; Y219-V223 PolarHBondContact O-N 3.25Å
220	Y	98.9	Very high	98.2	Very high	0 Å²	0	56 Å²	56	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-61	-40.2	-180	-52.1	-49.7	0	0	0	112.4	G83 I187 V191 F213 Y216 Y217 V223 C224 L255	G83-Y220 PolarHBondContact O-OH 3.47Å; I187-Y220 HydrophobicContact CG1-CD1 4.29Å; V191-Y220 HydrophobicContact CG1-CD2 4.22Å; V191-Y220 HydrophobicContact CG1-CE1 4.42Å; V191-Y220 HydrophobicContact CG1-CE2 3.81Å; V191-Y220 HydrophobicContact CG2-CD1 4.35Å; V191-Y220 HydrophobicContact CG2-CE1 3.67Å; V191-Y220 HydrophobicContact CG2-CE2 4.48Å; F213-Y220 HydrophobicContact CD2-CD2 4.07Å; F213-Y220 AromaticContact CD2-CE2 3.58Å; F213-Y220 HydrophobicContact CD2-CE2 3.58Å; F213-Y220 AromaticContact CE2-CD2 3.97Å; F213-Y220 HydrophobicContact CE2-CD2 3.97Å; F213-Y220 AromaticContact CE2-CE2 3.96Å; F213-Y220 HydrophobicContact CE2-CE2 3.96Å; Y216-Y220 VanDerWaalsContact CB-CE2 3.41Å; Y216-Y220 VanDerWaalsContact CB-OH 3.26Å; Y216-Y220 WeakPolarHBondContact CB-OH 3.45Å; Y216-Y220 HydrophobicContact CG-CE1 4.46Å; Y216-Y220 WeakPolarHBondContact O-CD2 3.45Å; Y216-Y220 PolarHBondContact O-N 3.01Å; Y217-Y220 PolarHBondContact O-N 3.11Å; Y220-V223 PolarHBondContact O-N 3.47Å; Y220-C224 PolarHBondContact O-N 2.83Å; Y220-C224 PolarHBondContact O-SG 2.99Å; Y220-L255 HydrophobicContact CD2-CD2 4.06Å; Y220-L255 HydrophobicContact CG-CD2 4.26Å
221	I	98.8	Very high	98.3	Very high	12 Å²	12	56.2 Å²	56.2	6%	0.062	28%	0.278	C	S	.	.	H	α-helix	trans	-59.8	-49.4	174.9	-62.7	-60.5	0	0	0	109.9	Y217 E218 Y219 V223 C224 E225 L252 L255 K256	Y217-I221 HydrophobicContact CD1-CG1 4.4Å; Y217-I221 HydrophobicContact CD2-CG1 4.41Å; Y217-I221 HydrophobicContact CE1-CD1 4.49Å; Y217-I221 HydrophobicContact CE1-CG1 3.89Å; Y217-I221 HydrophobicContact CE2-CD1 3.85Å; Y217-I221 HydrophobicContact CE2-CG1 3.92Å; Y217-I221 WeakPolarHBondContact O-CG1 3.41Å; Y217-I221 PolarHBondContact O-N 3.44Å; Y217-I221 VanDerWaalsContact O-N 3.1Å; E218-I221 PolarHBondContact O-N 3.06Å; Y219-I221 VanDerWaalsContact C-N 3.31Å; Y219-I221 PolarHBondContact O-N 3.43Å; I221-V223 VanDerWaalsContact C-N 3.29Å; I221-V223 PolarHBondContact O-N 3.27Å; I221-C224 PolarHBondContact O-N 2.85Å; I221-C224 VanDerWaalsContact O-N 3.16Å; I221-E225 HydrophobicContact CG2-CG 4.34Å; I221-E225 WeakPolarHBondContact O-CG 3.46Å; I221-E225 PolarHBondContact O-N 2.77Å; I221-L252 HydrophobicContact CD1-CD1 3.48Å; I221-L252 VanDerWaalsContact CD1-CD1 3.48Å; I221-L252 HydrophobicContact CG2-CD1 4.13Å; I221-L255 HydrophobicContact CD1-CB 4.13Å; I221-L255 HydrophobicContact CD1-CD1 4.44Å; I221-K256 HydrophobicContact CD1-CG 4.23Å
222	S	98.7	Very high	98.4	Very high	42 Å²	42	55.2 Å²	55.2	29%	0.294	28%	0.279	S	S	.	.	H	α-helix	trans	-60.2	-37.4	179.3	85.2	0	0	0	0	112.9	E218 Y219 R226	E218-S222 WeakPolarHBondContact O-CB 3.3Å; E218-S222 PolarHBondContact O-N 3.42Å; Y219-S222 WeakPolarHBondContact O-CB 3.49Å; Y219-S222 PolarHBondContact O-N 3.38Å; Y219-S222 VanDerWaalsContact O-N 3.12Å; Y219-S222 PolarHBondContact O-OG 2.98Å; S222-R226 WeakPolarHBondContact O-CB 3.39Å; S222-R226 VanDerWaalsContact O-CG 3.25Å; S222-R226 WeakPolarHBondContact O-CG 3.29Å; S222-R226 PolarHBondContact O-N 2.83Å; S222-R226 PolarHBondContact O-NE 3.16Å
223	V	98.8	Very high	98.4	Very high	2 Å²	2	58.6 Å²	58.6	1%	0.012	29%	0.292	C	S	.	.	H	α-helix	trans	-66.1	-45.9	177	172.5	0	0	0	0	110.1	T183 I187 Y219 Y220 I221 E225 N227 Y248	T183-V223 HydrophobicContact CG2-CG1 3.62Å; I187-V223 HydrophobicContact CD1-CB 3.9Å; I187-V223 HydrophobicContact CD1-CG1 3.54Å; Y219-V223 HydrophobicContact CD1-CG2 4.29Å; Y219-V223 HydrophobicContact CD2-CG2 4.26Å; Y219-V223 HydrophobicContact CE1-CG2 3.85Å; Y219-V223 HydrophobicContact CE2-CG2 3.85Å; Y219-V223 HydrophobicContact CG-CG2 4.48Å; Y219-V223 WeakPolarHBondContact O-CG2 3.39Å; Y219-V223 PolarHBondContact O-N 3.25Å; Y220-V223 PolarHBondContact O-N 3.47Å; I221-V223 VanDerWaalsContact C-N 3.29Å; I221-V223 PolarHBondContact O-N 3.27Å; V223-E225 PolarHBondContact O-N 3.34Å; V223-N227 WeakPolarHBondContact O-CB 3.38Å; V223-N227 PolarHBondContact O-N 3.26Å; V223-N227 VanDerWaalsContact O-N 3.13Å; V223-N227 PolarHBondContact O-ND2 3.24Å; V223-Y248 HydrophobicContact CG1-CE1 4.44Å
224	C	98.8	Very high	98.3	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-63.3	-41.8	178.5	-66.5	0	0	0	0	112.1	Y220 I221 M228 Y248 L252	Y220-C224 PolarHBondContact O-N 2.83Å; Y220-C224 PolarHBondContact O-SG 2.99Å; I221-C224 PolarHBondContact O-N 2.85Å; I221-C224 VanDerWaalsContact O-N 3.16Å; C224-M228 PolarHBondContact O-N 2.93Å; C224-Y248 HydrophobicContact CB-CD1 4.27Å; C224-L252 HydrophobicContact CB-CB 4.16Å; C224-L252 HydrophobicContact CB-CD1 4.17Å
225	E	98.6	Very high	98.4	Very high	113 Å²	113	59.4 Å²	59.4	53%	0.528	30%	0.304	S	S	.	.	H	α-helix	trans	-67.7	-45.6	-179.8	-71.2	178.3	164.8	0	0	112.1	I221 V223 N227 M228	I221-E225 HydrophobicContact CG2-CG 4.34Å; I221-E225 WeakPolarHBondContact O-CG 3.46Å; I221-E225 PolarHBondContact O-N 2.77Å; V223-E225 PolarHBondContact O-N 3.34Å; E225-N227 VanDerWaalsContact C-N 3.28Å; E225-N227 PolarHBondContact O-N 3.38Å; E225-M228 WeakPolarHBondContact O-CB 3.46Å; E225-M228 PolarHBondContact O-N 2.81Å
226	R	98.5	Very high	98.3	Very high	156 Å²	156	57.4 Å²	57.4	59%	0.589	30%	0.296	S	S	*	.	H	α-helix	trans	-63.1	-34.2	177.9	-72.8	-177.3	-63.7	132.1	-6.6	112.7	S222 H229	S222-R226 WeakPolarHBondContact O-CB 3.39Å; S222-R226 VanDerWaalsContact O-CG 3.25Å; S222-R226 WeakPolarHBondContact O-CG 3.29Å; S222-R226 PolarHBondContact O-N 2.83Å; S222-R226 PolarHBondContact O-NE 3.16Å; R226-H229 PolarHBondContact O-CE1 3.06Å; R226-H229 PolarHBondContact O-ND1 3.32Å; R226-H229 VanDerWaalsContact O-ND1 3.08Å
227	N	98.5	Very high	98.1	Very high	35 Å²	35	56.4 Å²	56.4	19%	0.187	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.9	9.4	-177.9	-64.7	-74.6	0	0	0	113.8	V223 E225 H229 L230 Y248	V223-N227 WeakPolarHBondContact O-CB 3.38Å; V223-N227 PolarHBondContact O-N 3.26Å; V223-N227 VanDerWaalsContact O-N 3.13Å; V223-N227 PolarHBondContact O-ND2 3.24Å; E225-N227 VanDerWaalsContact C-N 3.28Å; E225-N227 PolarHBondContact O-N 3.38Å; N227-H229 PolarHBondContact O-N 2.79Å; N227-H229 VanDerWaalsContact O-N 3.08Å; N227-L230 HydrophobicContact CB-CD1 4.25Å; N227-L230 WeakPolarHBondContact O-CB 3.31Å; N227-L230 PolarHBondContact O-N 2.92Å; N227-Y248 HydrophobicContact CB-CD1 4.23Å; N227-Y248 HydrophobicContact CB-CD2 3.8Å; N227-Y248 HydrophobicContact CB-CE1 3.87Å; N227-Y248 HydrophobicContact CB-CE2 3.41Å; N227-Y248 VanDerWaalsContact CB-CE2 3.41Å; N227-Y248 HydrophobicContact CB-CG 4.18Å; N227-Y248 VanDerWaalsContact CB-CZ 3.42Å; N227-Y248 WeakPolarHBondContact O-CD2 3.44Å
228	M	98.6	Very high	97.9	Very high	69 Å²	69	55.9 Å²	55.9	34%	0.34	29%	0.293	S	S	.	.	G	3₁₀ helix	trans	-56	-31.9	-178.1	-171.6	58.8	62	0	0	113.2	C224 E225 L230 S231 A249 L252	C224-M228 PolarHBondContact O-N 2.93Å; E225-M228 WeakPolarHBondContact O-CB 3.46Å; E225-M228 PolarHBondContact O-N 2.81Å; M228-L230 PolarHBondContact O-N 3.09Å; M228-S231 WeakPolarHBondContact O-CB 3.47Å; M228-S231 PolarHBondContact O-N 3.35Å; M228-A249 HydrophobicContact SD-CB 4.12Å; M228-L252 HydrophobicContact CE-CD2 3.96Å
229	H	98.1	Very high	97.6	Very high	129 Å²	129	51 Å²	51	60%	0.597	27%	0.27	S	S	*	.	G	3₁₀ helix	trans	-62.7	-22.4	177	66.7	-80.7	0	0	0	114	R226 N227 Q233	R226-H229 PolarHBondContact O-CE1 3.06Å; R226-H229 PolarHBondContact O-ND1 3.32Å; R226-H229 VanDerWaalsContact O-ND1 3.08Å; N227-H229 PolarHBondContact O-N 2.79Å; N227-H229 VanDerWaalsContact O-N 3.08Å; H229-Q233 PolarHBondContact O-NE2 2.9Å
230	L	98.1	Very high	97	Very high	28 Å²	28	56.5 Å²	56.5	15%	0.147	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-79.7	-18.6	174.6	-60.1	179	0	0	0	112.5	N227 M228 G232 Q233 F246 Y248	N227-L230 HydrophobicContact CB-CD1 4.25Å; N227-L230 WeakPolarHBondContact O-CB 3.31Å; N227-L230 PolarHBondContact O-N 2.92Å; M228-L230 PolarHBondContact O-N 3.09Å; L230-G232 PolarHBondContact O-N 2.91Å; L230-Q233 WeakPolarHBondContact O-CB 3.27Å; L230-Q233 VanDerWaalsContact O-CG 3.29Å; L230-Q233 WeakPolarHBondContact O-CG 3.48Å; L230-Q233 PolarHBondContact O-N 3.22Å; L230-F246 HydrophobicContact CB-CB 4.15Å; L230-F246 HydrophobicContact CB-CD2 4.13Å; L230-F246 HydrophobicContact CB-CG 4.08Å; L230-F246 WeakPolarHBondContact O-CB 3.19Å; L230-Y248 HydrophobicContact CB-CD2 4.29Å; L230-Y248 HydrophobicContact CB-CE2 4.07Å; L230-Y248 HydrophobicContact CD1-CE2 4.19Å
231	S	98.3	Very high	96.3	Very high	37 Å²	37	58.9 Å²	58.9	26%	0.259	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	131.2	-174.9	-155.7	0	0	0	0	111.6	M228 Q233 F246 Y248 A249	M228-S231 WeakPolarHBondContact O-CB 3.47Å; M228-S231 PolarHBondContact O-N 3.35Å; S231-Q233 VanDerWaalsContact C-N 3.33Å; S231-F246 CarbonylContact C-O 3.58Å; S231-F246 WeakPolarHBondContact CA-O 3.34Å; S231-Y248 PolarHBondContact OG-N 2.85Å; S231-A249 PolarHBondContact OG-N 2.87Å
232	G	97.9	Very high	95.7	Very high	52 Å²	52	61.9 Å²	61.9	54%	0.536	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.2	-11.7	-174.5	0	0	0	0	0	114.8	L230 F246	L230-G232 PolarHBondContact O-N 2.91Å; G232-F246 PolarHBondContact N-O 3.12Å
233	Q	97.9	Very high	95.4	Very high	93 Å²	93	62.2 Å²	62.2	44%	0.435	34%	0.339	S	S	.	.	S	Bend	trans	-82.7	145.8	177.8	-56.3	-175.9	31.2	0	0	111.2	H229 L230 S231 I245 F246	H229-Q233 PolarHBondContact O-NE2 2.9Å; L230-Q233 WeakPolarHBondContact O-CB 3.27Å; L230-Q233 VanDerWaalsContact O-CG 3.29Å; L230-Q233 WeakPolarHBondContact O-CG 3.48Å; L230-Q233 PolarHBondContact O-N 3.22Å; S231-Q233 VanDerWaalsContact C-N 3.33Å; Q233-I245 CarbonylContact O-C 3.56Å; Q233-I245 VanDerWaalsContact O-CA 3.28Å; Q233-I245 WeakPolarHBondContact O-CA 3.49Å; Q233-I245 WeakPolarHBondContact O-CB 3.23Å; Q233-F246 HydrophobicContact CB-CD2 4.45Å; Q233-F246 PolarHBondContact O-N 3.48Å
234	P	97.7	Very high	95.2	Very high	87 Å²	87	64.3 Å²	64.3	57%	0.565	36%	0.361	S	S	*	.	B	Isolated β-bridge	trans	-65.2	138.5	175.1	28	-34.2	0	0	0	111.3	V236	P234-V236 HydrophobicContact CG-CG2 4.43Å; P234-V236 PolarHBondContact O-N 3.18Å
235	M	97.7	Very high	95.1	Very high	12 Å²	12	68.6 Å²	68.6	6%	0.059	38%	0.383	C	S	.	.			trans	-76.1	100.6	166.8	-72.7	-172.5	-86.2	0	0	108.3	I181 E185 D237 R243 G244 I245 F246	I181-M235 HydrophobicContact CB-SD 4.37Å; I181-M235 HydrophobicContact CD1-CB 4.11Å; I181-M235 HydrophobicContact CG1-CB 3.93Å; I181-M235 HydrophobicContact CG1-CG 4.06Å; I181-M235 HydrophobicContact CG1-SD 4.29Å; I181-M235 HydrophobicContact CG2-SD 3.88Å; E185-M235 HydrophobicContact CG-SD 4.25Å; E185-M235 WeakPolarHBondContact OE1-CE 3.43Å; M235-D237 PolarHBondContact O-N 3Å; M235-R243 HydrophobicContact CB-CB 3.6Å; M235-R243 HydrophobicContact CB-CG 4.32Å; M235-R243 WeakPolarHBondContact O-CB 3.26Å; M235-G244 WeakPolarHBondContact CB-O 3.35Å; M235-G244 PolarHBondContact N-O 2.93Å; M235-I245 VanDerWaalsContact CE-O 3.29Å; M235-I245 WeakPolarHBondContact CE-O 3.18Å; M235-F246 HydrophobicContact CB-CE2 4.37Å; M235-F246 HydrophobicContact CB-CZ 4.49Å; M235-F246 HydrophobicContact CG-CD1 3.82Å; M235-F246 HydrophobicContact CG-CD2 3.75Å; M235-F246 HydrophobicContact CG-CE1 3.72Å; M235-F246 HydrophobicContact CG-CE2 3.66Å; M235-F246 HydrophobicContact CG-CG 3.83Å; M235-F246 HydrophobicContact CG-CZ 3.65Å; M235-F246 HydrophobicContact SD-CD1 4.15Å; M235-F246 HydrophobicContact SD-CE1 4.08Å
236	V	95.5	Very high	95.1	Very high	88 Å²	88	63.9 Å²	63.9	53%	0.533	36%	0.361	S	S	.	.			trans	-85.4	106.6	176.3	-179.8	0	0	0	0	107.9	Q177 I181 P234 P238	Q177-V236 PolarHBondContact NE2-O 3.29Å; I181-V236 WeakPolarHBondContact CD1-O 3.43Å; P234-V236 HydrophobicContact CG-CG2 4.43Å; P234-V236 PolarHBondContact O-N 3.18Å; V236-P238 WeakPolarHBondContact O-CD 3.22Å
237	D	94.8	Very high	95.1	Very high	11 Å²	11	59 Å²	59	6%	0.059	35%	0.347	C	S	.	.			trans	-80.6	126	-179.2	-160.6	-58.6	0	0	0	111	I181 M235 F239 E240 D241 R243	I181-D237 HydrophobicContact CD1-CB 4.31Å; M235-D237 PolarHBondContact O-N 3Å; D237-F239 PolarHBondContact O-N 3.44Å; D237-F239 VanDerWaalsContact O-N 3.13Å; D237-F239 WeakPolarHBondContact OD1-CB 3.33Å; D237-F239 WeakPolarHBondContact OD1-CD2 3.42Å; D237-F239 PolarHBondContact OD1-N 2.91Å; D237-E240 PolarHBondContact O-N 2.7Å; D237-D241 HydrophobicContact CB-CB 4.16Å; D237-D241 WeakPolarHBondContact CB-O 3.48Å; D237-R243 HydrophobicContact CB-CG 3.85Å; D237-R243 IonicContact OD2-CZ 3.57Å; D237-R243 IonicContact OD2-NE 2.87Å; D237-R243 PolarHBondContact OD2-NE 3.21Å; D237-R243 IonicContact OD2-NH2 3.49Å; D237-R243 PolarHBondContact OD2-NH2 2.99Å
238	P	94.3	Very high	95.2	Very high	18 Å²	18	57.4 Å²	57.4	12%	0.117	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-19.5	175.3	-26.5	36.3	0	0	0	115	Y160 D174 Q177 V236	Y160-P238 HydrophobicContact CD2-CB 4.27Å; Y160-P238 HydrophobicContact CE2-CB 3.79Å; Y160-P238 HydrophobicContact CE2-CG 4.49Å; D174-P238 HydrophobicContact CB-CB 4.04Å; D174-P238 HydrophobicContact CB-CG 4.11Å; D174-P238 WeakPolarHBondContact O-CG 3.34Å; Q177-P238 HydrophobicContact CB-CG 4.48Å; V236-P238 WeakPolarHBondContact O-CD 3.22Å
239	F	92.4	Very high	95.1	Very high	29 Å²	29	56.5 Å²	56.5	13%	0.127	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.4	8.5	174.6	-56.8	-63.1	0	0	0	113.6	P117 Y160 E163 F166 Y178 D237 D241	P117-F239 HydrophobicContact CG-CE2 4.26Å; P117-F239 HydrophobicContact CG-CZ 4.31Å; Y160-F239 HydrophobicContact CD2-CE1 4.19Å; Y160-F239 AromaticContact CD2-CE2 3.99Å; Y160-F239 HydrophobicContact CD2-CE2 3.99Å; Y160-F239 AromaticContact CD2-CZ 3.53Å; Y160-F239 HydrophobicContact CD2-CZ 3.53Å; Y160-F239 HydrophobicContact CE2-CE1 4.05Å; Y160-F239 AromaticContact CE2-CZ 3.87Å; Y160-F239 HydrophobicContact CE2-CZ 3.87Å; Y160-F239 HydrophobicContact CG-CZ 4.19Å; Y160-F239 WeakPolarHBondContact O-CZ 3.35Å; E163-F239 HydrophobicContact CB-CE1 3.61Å; E163-F239 HydrophobicContact CB-CZ 3.75Å; E163-F239 HydrophobicContact CG-CD1 4.28Å; E163-F239 HydrophobicContact CG-CE1 3.78Å; E163-F239 HydrophobicContact CG-CZ 4.38Å; F166-F239 HydrophobicContact CD1-CD1 4.34Å; F166-F239 AromaticContact CD1-CE1 3.6Å; F166-F239 HydrophobicContact CD1-CE1 3.6Å; F166-F239 HydrophobicContact CD2-CE1 4.21Å; F166-F239 AromaticContact CE1-CD1 3.71Å; F166-F239 HydrophobicContact CE1-CD1 3.71Å; F166-F239 AromaticContact CE1-CE1 3.44Å; F166-F239 HydrophobicContact CE1-CE1 3.44Å; F166-F239 VanDerWaalsContact CE1-CE1 3.44Å; F166-F239 HydrophobicContact CE2-CD1 4.37Å; F166-F239 HydrophobicContact CE2-CE1 4.1Å; F166-F239 AromaticContact CG-CE1 3.96Å; F166-F239 HydrophobicContact CG-CE1 3.96Å; F166-F239 AromaticContact CZ-CD1 3.7Å; F166-F239 HydrophobicContact CZ-CD1 3.7Å; F166-F239 AromaticContact CZ-CE1 3.69Å; F166-F239 HydrophobicContact CZ-CE1 3.69Å; Y178-F239 AromaticContact CD2-CD2 3.85Å; Y178-F239 HydrophobicContact CD2-CD2 3.85Å; Y178-F239 AromaticContact CD2-CE2 3.64Å; Y178-F239 HydrophobicContact CD2-CE2 3.64Å; Y178-F239 AromaticContact CE2-CD2 3.61Å; Y178-F239 HydrophobicContact CE2-CD2 3.61Å; Y178-F239 AromaticContact CE2-CE2 3.48Å; Y178-F239 HydrophobicContact CE2-CE2 3.48Å; Y178-F239 VanDerWaalsContact CE2-CE2 3.48Å; Y178-F239 HydrophobicContact CG-CE2 4.32Å; D237-F239 PolarHBondContact O-N 3.44Å; D237-F239 VanDerWaalsContact O-N 3.13Å; D237-F239 WeakPolarHBondContact OD1-CB 3.33Å; D237-F239 WeakPolarHBondContact OD1-CD2 3.42Å; D237-F239 PolarHBondContact OD1-N 2.91Å; F239-D241 PolarHBondContact O-N 2.68Å
240	E	85.7	Confident	95.2	Very high	173 Å²	173	52.8 Å²	52.8	81%	0.808	33%	0.33	S	S	*	.			trans	61.9	18.5	-179.4	-54.5	176.3	-170.5	0	0	114	D237	D237-E240 PolarHBondContact O-N 2.7Å
241	D	84.7	Confident	95.2	Very high	50 Å²	50	51.6 Å²	51.6	27%	0.267	32%	0.324	S	S	.	.			trans	-65.4	134.3	168.9	-82.5	-11.7	0	0	0	109.7	R114 D237 F239 R243	R114-D241 WeakPolarHBondContact CD-OD2 3.36Å; R114-D241 IonicContact NH1-OD2 2.99Å; D237-D241 HydrophobicContact CB-CB 4.16Å; D237-D241 WeakPolarHBondContact CB-O 3.48Å; F239-D241 PolarHBondContact O-N 2.68Å; D241-R243 PolarHBondContact O-N 3.38Å; D241-R243 VanDerWaalsContact O-N 3.15Å; D241-R243 IonicContact OD2-CZ 3.13Å; D241-R243 IonicContact OD2-NH1 3.97Å; D241-R243 IonicContact OD2-NH2 2.79Å; D241-R243 PolarHBondContact OD2-NH2 2.94Å
242	G	85.8	Confident	95.2	Very high	75 Å²	75	50.9 Å²	50.9	77%	0.773	32%	0.317	S	S	*	.			trans	-63	116	171.3	0	0	0	0	0	110.9
243	R	92.4	Very high	95.3	Very high	50 Å²	50	56.1 Å²	56.1	19%	0.189	33%	0.325	C	S	.	.			trans	-118.6	170.4	174.8	-57.6	-66.5	-174.7	-131.8	-9.2	110.9	R114 I181 M235 D237 D241	R114-R243 PolarHBondContact O-NH2 3.34Å; I181-R243 HydrophobicContact CG2-CG 4.49Å; M235-R243 HydrophobicContact CB-CB 3.6Å; M235-R243 HydrophobicContact CB-CG 4.32Å; M235-R243 WeakPolarHBondContact O-CB 3.26Å; D237-R243 HydrophobicContact CB-CG 3.85Å; D237-R243 IonicContact OD2-CZ 3.57Å; D237-R243 IonicContact OD2-NE 2.87Å; D237-R243 PolarHBondContact OD2-NE 3.21Å; D237-R243 IonicContact OD2-NH2 3.49Å; D237-R243 PolarHBondContact OD2-NH2 2.99Å; D241-R243 PolarHBondContact O-N 3.38Å; D241-R243 VanDerWaalsContact O-N 3.15Å; D241-R243 IonicContact OD2-CZ 3.13Å; D241-R243 IonicContact OD2-NH1 3.97Å; D241-R243 IonicContact OD2-NH2 2.79Å; D241-R243 PolarHBondContact OD2-NH2 2.94Å
244	G	94.7	Very high	95.3	Very high	45 Å²	45	53.7 Å²	53.7	46%	0.464	31%	0.311	S	S	.	.			trans	-86.5	-145.7	175.4	0	0	0	0	0	113.1	M235	M235-G244 WeakPolarHBondContact CB-O 3.35Å; M235-G244 PolarHBondContact N-O 2.93Å
245	I	97.9	Very high	95.4	Very high	90 Å²	90	49.5 Å²	49.5	46%	0.462	28%	0.284	S	S	.	.	B	Isolated β-bridge	trans	-108	152.8	171.9	61.1	171.7	0	0	0	109.9	Q233 M235 D247	Q233-I245 CarbonylContact O-C 3.56Å; Q233-I245 VanDerWaalsContact O-CA 3.28Å; Q233-I245 WeakPolarHBondContact O-CA 3.49Å; Q233-I245 WeakPolarHBondContact O-CB 3.23Å; M235-I245 VanDerWaalsContact CE-O 3.29Å; M235-I245 WeakPolarHBondContact CE-O 3.18Å; I245-D247 PolarHBondContact O-N 3.21Å
246	F	98.6	Very high	95.4	Very high	14 Å²	14	53.6 Å²	53.6	6%	0.061	30%	0.302	C	S	.	.			trans	-63.3	132.5	162.2	-66.9	-73.5	0	0	0	109.1	A180 I181 H184 L230 S231 G232 Q233 M235 Y248	A180-F246 HydrophobicContact CB-CE1 4.34Å; A180-F246 HydrophobicContact CB-CZ 4.11Å; I181-F246 HydrophobicContact CG1-CE1 4.35Å; I181-F246 HydrophobicContact CG1-CZ 3.85Å; H184-F246 HydrophobicContact CB-CD1 3.73Å; H184-F246 HydrophobicContact CB-CE1 3.9Å; H184-F246 AromaticContact CD2-CD1 3.95Å; H184-F246 AromaticContact CG-CD1 3.77Å; L230-F246 HydrophobicContact CB-CB 4.15Å; L230-F246 HydrophobicContact CB-CD2 4.13Å; L230-F246 HydrophobicContact CB-CG 4.08Å; L230-F246 WeakPolarHBondContact O-CB 3.19Å; S231-F246 CarbonylContact C-O 3.58Å; S231-F246 WeakPolarHBondContact CA-O 3.34Å; G232-F246 PolarHBondContact N-O 3.12Å; Q233-F246 HydrophobicContact CB-CD2 4.45Å; Q233-F246 PolarHBondContact O-N 3.48Å; M235-F246 HydrophobicContact CB-CE2 4.37Å; M235-F246 HydrophobicContact CB-CZ 4.49Å; M235-F246 HydrophobicContact CG-CD1 3.82Å; M235-F246 HydrophobicContact CG-CD2 3.75Å; M235-F246 HydrophobicContact CG-CE1 3.72Å; M235-F246 HydrophobicContact CG-CE2 3.66Å; M235-F246 HydrophobicContact CG-CG 3.83Å; M235-F246 HydrophobicContact CG-CZ 3.65Å; M235-F246 HydrophobicContact SD-CD1 4.15Å; M235-F246 HydrophobicContact SD-CE1 4.08Å; F246-Y248 HydrophobicContact CB-CD2 4.28Å; F246-Y248 HydrophobicContact CB-CE2 4.19Å; F246-Y248 AromaticContact CD1-CE2 3.77Å; F246-Y248 HydrophobicContact CD1-CE2 3.77Å; F246-Y248 HydrophobicContact CG-CE2 4.27Å
247	D	98.5	Very high	95.6	Very high	55 Å²	55	51.6 Å²	51.6	29%	0.294	29%	0.294	S	S	.	.			trans	-139.8	59.9	178	-168.4	-1	0	0	0	111.3	H184 I245 A249 S250 L251	H184-D247 PolarHBondContact NE2-N 2.71Å; I245-D247 PolarHBondContact O-N 3.21Å; D247-A249 PolarHBondContact O-N 3.44Å; D247-S250 PolarHBondContact O-N 3.36Å; D247-S250 WeakPolarHBondContact OD1-CB 3.46Å; D247-S250 PolarHBondContact OD1-N 3.35Å; D247-S250 PolarHBondContact OD1-OG 3Å; D247-S250 VanDerWaalsContact OD1-OG 3.1Å; D247-S250 WeakPolarHBondContact OD2-CB 3.33Å; D247-S250 PolarHBondContact OD2-OG 2.84Å; D247-L251 WeakPolarHBondContact O-CG 3.33Å; D247-L251 PolarHBondContact O-N 2.97Å
248	Y	98.8	Very high	95.7	Very high	1 Å²	1	51.5 Å²	51.5	0%	0.004	29%	0.294	C	S	.	.	H	α-helix	trans	-61.7	-26	177.3	-71.8	-73.8	0	0	0	112.9	H184 V223 C224 N227 L230 S231 F246 L251 L252	H184-Y248 HydrophobicContact CB-CE1 4.32Å; H184-Y248 AromaticContact CD2-CE1 3.86Å; H184-Y248 AromaticContact CD2-CE2 3.91Å; H184-Y248 AromaticContact CD2-CZ 3.8Å; V223-Y248 HydrophobicContact CG1-CE1 4.44Å; C224-Y248 HydrophobicContact CB-CD1 4.27Å; N227-Y248 HydrophobicContact CB-CD1 4.23Å; N227-Y248 HydrophobicContact CB-CD2 3.8Å; N227-Y248 HydrophobicContact CB-CE1 3.87Å; N227-Y248 HydrophobicContact CB-CE2 3.41Å; N227-Y248 VanDerWaalsContact CB-CE2 3.41Å; N227-Y248 HydrophobicContact CB-CG 4.18Å; N227-Y248 VanDerWaalsContact CB-CZ 3.42Å; N227-Y248 WeakPolarHBondContact O-CD2 3.44Å; L230-Y248 HydrophobicContact CB-CD2 4.29Å; L230-Y248 HydrophobicContact CB-CE2 4.07Å; L230-Y248 HydrophobicContact CD1-CE2 4.19Å; S231-Y248 PolarHBondContact OG-N 2.85Å; F246-Y248 HydrophobicContact CB-CD2 4.28Å; F246-Y248 HydrophobicContact CB-CE2 4.19Å; F246-Y248 AromaticContact CD1-CE2 3.77Å; F246-Y248 HydrophobicContact CD1-CE2 3.77Å; F246-Y248 HydrophobicContact CG-CE2 4.27Å; Y248-L251 HydrophobicContact CD1-CD1 4.18Å; Y248-L251 PolarHBondContact O-N 2.82Å; Y248-L252 VanDerWaalsContact O-CB 3.28Å; Y248-L252 WeakPolarHBondContact O-CB 3.47Å; Y248-L252 PolarHBondContact O-N 2.58Å
249	A	98.4	Very high	95.9	Very high	49 Å²	49	51.2 Å²	51.2	41%	0.405	29%	0.292	S	S	.	.	H	α-helix	trans	-63.3	-47.6	173.8	0	0	0	0	0	111.6	M228 S231 D247 K253	M228-A249 HydrophobicContact SD-CB 4.12Å; S231-A249 PolarHBondContact OG-N 2.87Å; D247-A249 PolarHBondContact O-N 3.44Å; A249-K253 PolarHBondContact O-N 3.38Å
250	S	98.6	Very high	96.2	Very high	51 Å²	51	52.8 Å²	52.8	36%	0.357	31%	0.306	S	S	.	.	H	α-helix	trans	-67.1	-39.9	174.8	-67.8	0	0	0	0	112.3	D247 K253 R254	D247-S250 PolarHBondContact O-N 3.36Å; D247-S250 WeakPolarHBondContact OD1-CB 3.46Å; D247-S250 PolarHBondContact OD1-N 3.35Å; D247-S250 PolarHBondContact OD1-OG 3Å; D247-S250 VanDerWaalsContact OD1-OG 3.1Å; D247-S250 WeakPolarHBondContact OD2-CB 3.33Å; D247-S250 PolarHBondContact OD2-OG 2.84Å; S250-K253 WeakPolarHBondContact O-CB 3.33Å; S250-K253 PolarHBondContact O-N 3.09Å; S250-R254 VanDerWaalsContact O-CG 3.31Å; S250-R254 WeakPolarHBondContact O-CG 3.38Å; S250-R254 PolarHBondContact O-N 3.46Å
251	L	98.8	Very high	96.6	Very high	4 Å²	4	49.4 Å²	49.4	2%	0.021	29%	0.29	C	S	.	.	H	α-helix	trans	-59.8	-46.9	175.9	-65.8	-175.8	0	0	0	111.9	H184 I187 R188 D247 Y248 K253 R254 L255	H184-L251 VanDerWaalsContact CD2-CD1 3.45Å; H184-L251 WeakPolarHBondContact CD2-CD1 3.37Å; H184-L251 WeakPolarHBondContact NE2-CD1 3.35Å; I187-L251 HydrophobicContact CB-CD1 4.09Å; I187-L251 HydrophobicContact CG2-CB 4.22Å; I187-L251 HydrophobicContact CG2-CD1 3.9Å; I187-L251 HydrophobicContact CG2-CD2 4.38Å; I187-L251 HydrophobicContact CG2-CG 4.4Å; R188-L251 HydrophobicContact CB-CD1 4.49Å; R188-L251 HydrophobicContact CB-CD2 3.71Å; R188-L251 HydrophobicContact CG-CD2 3.89Å; D247-L251 WeakPolarHBondContact O-CG 3.33Å; D247-L251 PolarHBondContact O-N 2.97Å; Y248-L251 HydrophobicContact CD1-CD1 4.18Å; Y248-L251 PolarHBondContact O-N 2.82Å; L251-K253 VanDerWaalsContact C-N 3.26Å; L251-K253 PolarHBondContact O-N 3.37Å; L251-R254 PolarHBondContact O-N 2.89Å; L251-R254 VanDerWaalsContact O-N 3.11Å; L251-L255 VanDerWaalsContact O-CG 3.32Å; L251-L255 WeakPolarHBondContact O-CG 3.5Å; L251-L255 PolarHBondContact O-N 3.27Å
252	L	98.7	Very high	97.1	Very high	22 Å²	22	47.1 Å²	47.1	12%	0.115	28%	0.278	C	S	.	.	H	α-helix	trans	-58.6	-39.9	177.4	-174.8	61.4	0	0	0	111.8	I221 C224 M228 Y248 K256	I221-L252 HydrophobicContact CD1-CD1 3.48Å; I221-L252 VanDerWaalsContact CD1-CD1 3.48Å; I221-L252 HydrophobicContact CG2-CD1 4.13Å; C224-L252 HydrophobicContact CB-CB 4.16Å; C224-L252 HydrophobicContact CB-CD1 4.17Å; M228-L252 HydrophobicContact CE-CD2 3.96Å; Y248-L252 VanDerWaalsContact O-CB 3.28Å; Y248-L252 WeakPolarHBondContact O-CB 3.47Å; Y248-L252 PolarHBondContact O-N 2.58Å; L252-K256 HydrophobicContact CD1-CD 4.5Å; L252-K256 HydrophobicContact CG-CD 4.38Å; L252-K256 WeakPolarHBondContact O-CB 3.48Å; L252-K256 VanDerWaalsContact O-CG 3.31Å; L252-K256 WeakPolarHBondContact O-CG 3.15Å; L252-K256 PolarHBondContact O-N 2.89Å; L252-K256 VanDerWaalsContact O-N 3.13Å
253	K	98.7	Very high	97.4	Very high	161 Å²	161	49.4 Å²	49.4	70%	0.7	27%	0.267	S	S	*	.	H	α-helix	trans	-64.8	-44.7	175.1	-174.3	-177.2	178.1	-177	0	111.9	A249 S250 L251 A257	A249-K253 PolarHBondContact O-N 3.38Å; S250-K253 WeakPolarHBondContact O-CB 3.33Å; S250-K253 PolarHBondContact O-N 3.09Å; L251-K253 VanDerWaalsContact C-N 3.26Å; L251-K253 PolarHBondContact O-N 3.37Å; K253-A257 WeakPolarHBondContact O-CB 3.33Å; K253-A257 PolarHBondContact O-N 3.04Å
254	R	98.8	Very high	97.4	Very high	42 Å²	42	53.5 Å²	53.5	16%	0.158	29%	0.288	C	S	.	.	H	α-helix	trans	-62.9	-47.8	178.4	-69.3	170	72.7	-163.9	6.5	111.4	R188 C192 D193 E196 S250 L251 K256 A257 L258	R188-R254 PolarHBondContact O-NH1 3.44Å; C192-R254 HydrophobicContact CB-CB 4.44Å; D193-R254 IonicContact OD1-CZ 3.7Å; D193-R254 IonicContact OD1-NH1 3.34Å; D193-R254 IonicContact OD1-NH2 2.68Å; D193-R254 PolarHBondContact OD1-NH2 3.27Å; E196-R254 IonicContact OE1-CZ 3.64Å; E196-R254 IonicContact OE1-NE 3.61Å; E196-R254 PolarHBondContact OE1-NE 3.11Å; E196-R254 IonicContact OE1-NH2 3.07Å; E196-R254 PolarHBondContact OE1-NH2 3.35Å; E196-R254 VanDerWaalsContact OE1-NH2 3.07Å; E196-R254 IonicContact OE2-CZ 3.4Å; E196-R254 IonicContact OE2-NE 2.91Å; E196-R254 IonicContact OE2-NH2 2.76Å; E196-R254 PolarHBondContact OE2-NH2 3.35Å; S250-R254 VanDerWaalsContact O-CG 3.31Å; S250-R254 WeakPolarHBondContact O-CG 3.38Å; S250-R254 PolarHBondContact O-N 3.46Å; L251-R254 PolarHBondContact O-N 2.89Å; L251-R254 VanDerWaalsContact O-N 3.11Å; R254-K256 PolarHBondContact O-N 3.1Å; R254-A257 WeakPolarHBondContact O-CB 3.44Å; R254-A257 PolarHBondContact O-N 3.23Å; R254-A257 VanDerWaalsContact O-N 3.17Å; R254-L258 WeakPolarHBondContact O-CG 3.44Å; R254-L258 PolarHBondContact O-N 3.02Å
255	L	98.9	Very high	97.1	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-57.7	-46.9	177.5	-70.2	168.1	0	0	0	112.1	I187 V191 F213 Y220 I221 L251 A257 L258 N259	I187-L255 HydrophobicContact CG2-CD1 3.93Å; I187-L255 HydrophobicContact CG2-CD2 4.31Å; I187-L255 HydrophobicContact CG2-CG 4.35Å; V191-L255 HydrophobicContact CG1-CD2 4.06Å; F213-L255 HydrophobicContact CE2-CD2 3.8Å; F213-L255 HydrophobicContact CZ-CD2 4.42Å; Y220-L255 HydrophobicContact CD2-CD2 4.06Å; Y220-L255 HydrophobicContact CG-CD2 4.26Å; I221-L255 HydrophobicContact CD1-CB 4.13Å; I221-L255 HydrophobicContact CD1-CD1 4.44Å; L251-L255 VanDerWaalsContact O-CG 3.32Å; L251-L255 WeakPolarHBondContact O-CG 3.5Å; L251-L255 PolarHBondContact O-N 3.27Å; L255-A257 VanDerWaalsContact C-N 3.33Å; L255-A257 PolarHBondContact O-N 2.64Å; L255-L258 PolarHBondContact O-N 3.24Å; L255-N259 WeakPolarHBondContact O-CB 3.48Å; L255-N259 PolarHBondContact O-N 3.49Å
256	K	98.7	Very high	96.4	Very high	97 Å²	97	56.6 Å²	56.6	42%	0.422	28%	0.284	S	S	.	.	H	α-helix	trans	-62.5	-39.4	177	-74.2	175.8	178.2	178.2	0	112.3	I221 L252 R254 S260	I221-K256 HydrophobicContact CD1-CG 4.23Å; L252-K256 HydrophobicContact CD1-CD 4.5Å; L252-K256 HydrophobicContact CG-CD 4.38Å; L252-K256 WeakPolarHBondContact O-CB 3.48Å; L252-K256 VanDerWaalsContact O-CG 3.31Å; L252-K256 WeakPolarHBondContact O-CG 3.15Å; L252-K256 PolarHBondContact O-N 2.89Å; L252-K256 VanDerWaalsContact O-N 3.13Å; R254-K256 PolarHBondContact O-N 3.1Å; K256-S260 WeakPolarHBondContact O-CB 3.22Å; K256-S260 PolarHBondContact O-N 2.78Å; K256-S260 PolarHBondContact O-OG 3.48Å
257	A	98.6	Very high	95.5	Very high	46 Å²	46	59.2 Å²	59.2	38%	0.38	30%	0.303	S	S	.	.	H	α-helix	trans	-65.8	-46.6	176.4	0	0	0	0	0	111.6	K253 R254 L255 S260 Q261	K253-A257 WeakPolarHBondContact O-CB 3.33Å; K253-A257 PolarHBondContact O-N 3.04Å; R254-A257 WeakPolarHBondContact O-CB 3.44Å; R254-A257 PolarHBondContact O-N 3.23Å; R254-A257 VanDerWaalsContact O-N 3.17Å; L255-A257 VanDerWaalsContact C-N 3.33Å; L255-A257 PolarHBondContact O-N 2.64Å; A257-S260 PolarHBondContact O-N 3.48Å; A257-Q261 VanDerWaalsContact O-CG 3.29Å; A257-Q261 WeakPolarHBondContact O-CG 3.4Å; A257-Q261 PolarHBondContact O-N 3.43Å
258	L	98.4	Very high	94.1	Very high	9 Å²	9	58.4 Å²	58.4	5%	0.047	31%	0.308	C	S	.	.	H	α-helix	trans	-59.1	-47.4	176.8	-74.3	170.3	0	0	0	112	C192 L195 E196 F213 R254 L255 S260 Q261 L262	C192-L258 HydrophobicContact CB-CD1 4.19Å; L195-L258 HydrophobicContact CB-CD1 3.86Å; L195-L258 HydrophobicContact CB-CD2 3.81Å; L195-L258 HydrophobicContact CB-CG 4.41Å; L195-L258 HydrophobicContact CD1-CD1 4.11Å; E196-L258 HydrophobicContact CG-CD1 4.49Å; E196-L258 HydrophobicContact CG-CD2 4.01Å; F213-L258 HydrophobicContact CE1-CB 4.48Å; F213-L258 HydrophobicContact CZ-CB 4.05Å; R254-L258 WeakPolarHBondContact O-CG 3.44Å; R254-L258 PolarHBondContact O-N 3.02Å; L255-L258 PolarHBondContact O-N 3.24Å; L258-S260 VanDerWaalsContact C-N 3.33Å; L258-S260 PolarHBondContact O-N 3.33Å; L258-Q261 PolarHBondContact O-N 2.93Å; L258-L262 PolarHBondContact O-N 3.16Å
259	N	98.2	Very high	92.3	Very high	13 Å²	13	62.2 Å²	62.2	7%	0.07	33%	0.332	C	S	.	.	H	α-helix	trans	-61.7	-41	176.7	-173.4	35.9	0	0	0	112.4	F213 Y217 L255 Q261 L262 K263	F213-N259 HydrophobicContact CE1-CB 4.04Å; F213-N259 HydrophobicContact CZ-CB 4.29Å; Y217-N259 HydrophobicContact CD2-CB 3.74Å; Y217-N259 WeakPolarHBondContact CE1-ND2 3.39Å; Y217-N259 HydrophobicContact CE2-CB 3.3Å; Y217-N259 WeakPolarHBondContact CE2-ND2 3.46Å; Y217-N259 PolarHBondContact OH-ND2 3.31Å; L255-N259 WeakPolarHBondContact O-CB 3.48Å; L255-N259 PolarHBondContact O-N 3.49Å; N259-Q261 VanDerWaalsContact C-N 3.35Å; N259-Q261 PolarHBondContact O-N 3.35Å; N259-L262 PolarHBondContact O-N 2.91Å; N259-K263 WeakPolarHBondContact O-CG 3.27Å; N259-K263 PolarHBondContact O-N 2.98Å; N259-K263 VanDerWaalsContact OD1-CE 3.31Å; N259-K263 WeakPolarHBondContact OD1-CE 3.37Å
260	S	97.6	Very high	90.3	Very high	61 Å²	61	65 Å²	65	43%	0.427	34%	0.34	S	S	.	.	H	α-helix	trans	-63.3	-41.6	176.1	-57.9	0	0	0	0	111.7	K256 A257 L258 Q264	K256-S260 WeakPolarHBondContact O-CB 3.22Å; K256-S260 PolarHBondContact O-N 2.78Å; K256-S260 PolarHBondContact O-OG 3.48Å; A257-S260 PolarHBondContact O-N 3.48Å; L258-S260 VanDerWaalsContact C-N 3.33Å; L258-S260 PolarHBondContact O-N 3.33Å; S260-Q264 VanDerWaalsContact O-CG 3.28Å; S260-Q264 WeakPolarHBondContact O-CG 3.49Å; S260-Q264 PolarHBondContact O-N 3.19Å; S260-Q264 VanDerWaalsContact O-N 3.11Å
261	Q	95.9	Very high	88.1	Confident	102 Å²	102	67.6 Å²	67.6	48%	0.477	35%	0.35	S	S	.	.	H	α-helix	trans	-66.4	-38.9	177.4	-72	170.3	-2.3	0	0	112.6	A257 L258 N259 R265	A257-Q261 VanDerWaalsContact O-CG 3.29Å; A257-Q261 WeakPolarHBondContact O-CG 3.4Å; A257-Q261 PolarHBondContact O-N 3.43Å; L258-Q261 PolarHBondContact O-N 2.93Å; N259-Q261 VanDerWaalsContact C-N 3.35Å; N259-Q261 PolarHBondContact O-N 3.35Å; Q261-R265 WeakPolarHBondContact O-CG 3.35Å; Q261-R265 PolarHBondContact O-N 3.32Å; Q261-R265 PolarHBondContact O-NE 3.15Å
262	L	93.1	Very high	86	Confident	2 Å²	2	70.2 Å²	70.2	1%	0.01	37%	0.372	C	S	.	.	H	α-helix	trans	-65.2	-48.6	175.7	-79.4	164.6	0	0	0	111.4	L195 E210 F213 L258 N259 Q264 R265 H266	L195-L262 HydrophobicContact CD2-CD1 4.46Å; E210-L262 HydrophobicContact CB-CD2 3.98Å; E210-L262 HydrophobicContact CG-CD2 3.74Å; E210-L262 WeakPolarHBondContact OE1-CD2 3.5Å; F213-L262 HydrophobicContact CD1-CD1 3.22Å; F213-L262 HydrophobicContact CE1-CD1 3.52Å; F213-L262 HydrophobicContact CG-CD1 4.21Å; L258-L262 PolarHBondContact O-N 3.16Å; N259-L262 PolarHBondContact O-N 2.91Å; L262-Q264 VanDerWaalsContact C-N 3.32Å; L262-Q264 PolarHBondContact O-N 3.17Å; L262-R265 PolarHBondContact O-N 3.44Å; L262-R265 VanDerWaalsContact O-N 3.11Å; L262-H266 PolarHBondContact O-N 3.04Å; L262-H266 PolarHBondContact O-ND1 3.41Å
263	K	93.4	Very high	83.5	Confident	124 Å²	124	74.3 Å²	74.3	54%	0.539	39%	0.394	S	S	.	.	H	α-helix	trans	-60.2	-39.8	178.4	-72.3	179.9	177.7	-179.2	0	113	N259 R265 H266 S267	N259-K263 WeakPolarHBondContact O-CG 3.27Å; N259-K263 PolarHBondContact O-N 2.98Å; N259-K263 VanDerWaalsContact OD1-CE 3.31Å; N259-K263 WeakPolarHBondContact OD1-CE 3.37Å; K263-R265 VanDerWaalsContact C-N 3.33Å; K263-R265 PolarHBondContact O-N 3Å; K263-H266 PolarHBondContact O-N 3.36Å; K263-S267 PolarHBondContact O-N 2.99Å; K263-S267 PolarHBondContact O-OG 3Å
264	Q	92.4	Very high	81.2	Confident	135 Å²	135	71.2 Å²	71.2	63%	0.631	39%	0.388	S	S	*	.	H	α-helix	trans	-65.1	-34.8	176.1	-74.3	175	8.1	0	0	112.9	S260 L262 S267 G268	S260-Q264 VanDerWaalsContact O-CG 3.28Å; S260-Q264 WeakPolarHBondContact O-CG 3.49Å; S260-Q264 PolarHBondContact O-N 3.19Å; S260-Q264 VanDerWaalsContact O-N 3.11Å; L262-Q264 VanDerWaalsContact C-N 3.32Å; L262-Q264 PolarHBondContact O-N 3.17Å; Q264-S267 PolarHBondContact O-OG 3.03Å; Q264-S267 VanDerWaalsContact O-OG 3.07Å; Q264-G268 PolarHBondContact O-N 3.33Å
265	R	87.9	Confident	78.7	Confident	105 Å²	105	78.8 Å²	78.8	40%	0.396	42%	0.417	S	S	.	.	H	α-helix	trans	-70.4	-41.3	176.3	-76.5	-174.3	-73.9	149	-4.2	111.7	E210 Q261 L262 K263 G268 T269	E210-R265 IonicContact OE1-CZ 2.76Å; E210-R265 IonicContact OE1-NH1 2.77Å; E210-R265 PolarHBondContact OE1-NH1 3.3Å; E210-R265 IonicContact OE1-NH2 2.72Å; E210-R265 PolarHBondContact OE1-NH2 3.19Å; E210-R265 IonicContact OE2-NH1 3.7Å; Q261-R265 WeakPolarHBondContact O-CG 3.35Å; Q261-R265 PolarHBondContact O-N 3.32Å; Q261-R265 PolarHBondContact O-NE 3.15Å; L262-R265 PolarHBondContact O-N 3.44Å; L262-R265 VanDerWaalsContact O-N 3.11Å; K263-R265 VanDerWaalsContact C-N 3.33Å; K263-R265 PolarHBondContact O-N 3Å; R265-G268 PolarHBondContact O-N 3.42Å; R265-T269 PolarHBondContact O-N 3.46Å; R265-T269 VanDerWaalsContact O-N 3.17Å; R265-T269 PolarHBondContact O-OG1 2.91Å
266	H	83	Confident	76.1	Confident	96 Å²	96	81.6 Å²	81.6	44%	0.444	45%	0.446	S	S	.	.	H	α-helix	trans	-61.5	-47.9	174	-70.6	104.4	0	0	0	111.8	E214 L262 K263 G268 T269 D270	E214-H266 IonicContact OE1-CE1 3.05Å; E214-H266 PolarHBondContact OE1-CE1 3.15Å; E214-H266 IonicContact OE1-ND1 2.72Å; E214-H266 PolarHBondContact OE1-ND1 3.39Å; L262-H266 PolarHBondContact O-N 3.04Å; L262-H266 PolarHBondContact O-ND1 3.41Å; K263-H266 PolarHBondContact O-N 3.36Å; H266-G268 PolarHBondContact O-N 2.83Å; H266-T269 PolarHBondContact O-N 2.66Å; H266-D270 PolarHBondContact O-N 3.48Å
267	S	79.4	Confident	73.6	Confident	68 Å²	68	85.1 Å²	85.1	48%	0.476	47%	0.466	S	S	.	.	H	α-helix	trans	-65.7	-35.2	178.8	64.1	0	0	0	0	113.9	K263 Q264 T269 D270 D271	K263-S267 PolarHBondContact O-N 2.99Å; K263-S267 PolarHBondContact O-OG 3Å; Q264-S267 PolarHBondContact O-OG 3.03Å; Q264-S267 VanDerWaalsContact O-OG 3.07Å; S267-T269 VanDerWaalsContact C-N 3.3Å; S267-T269 PolarHBondContact O-N 2.91Å; S267-D270 PolarHBondContact O-N 2.88Å; S267-D271 PolarHBondContact O-N 2.53Å
268	G	69.4	Low	71.1	Confident	38 Å²	38	87.3 Å²	87.3	39%	0.392	48%	0.478	S	S	.	.	H	α-helix	trans	-71.3	-24.8	177.9	0	0	0	0	0	113.8	Q264 R265 H266 A272	Q264-G268 PolarHBondContact O-N 3.33Å; R265-G268 PolarHBondContact O-N 3.42Å; H266-G268 PolarHBondContact O-N 2.83Å; G268-A272 PolarHBondContact O-N 2.75Å; G268-A272 VanDerWaalsContact O-N 3.17Å
269	T	61.2	Low	68.5	Low	81 Å²	81	97.7 Å²	97.7	50%	0.497	52%	0.517	S	S	.	.	H	α-helix	trans	-75.6	-36	177.2	-45.5	0	0	0	0	110.9	R265 H266 S267 A272 N273	R265-T269 PolarHBondContact O-N 3.46Å; R265-T269 VanDerWaalsContact O-N 3.17Å; R265-T269 PolarHBondContact O-OG1 2.91Å; H266-T269 PolarHBondContact O-N 2.66Å; S267-T269 VanDerWaalsContact C-N 3.3Å; S267-T269 PolarHBondContact O-N 2.91Å; T269-A272 PolarHBondContact O-N 2.92Å; T269-N273 PolarHBondContact O-N 3.43Å; T269-N273 VanDerWaalsContact O-N 3.11Å
270	D	56.1	Low	65.7	Low	109 Å²	109	105.7 Å²	105.7	58%	0.583	55%	0.554	S	S	*	*	H	α-helix	trans	-64	-44.1	173.1	-70.3	-22.1	0	0	0	111.6	H266 S267 A272 N273 V274	H266-D270 PolarHBondContact O-N 3.48Å; S267-D270 PolarHBondContact O-N 2.88Å; D270-A272 VanDerWaalsContact C-N 3.34Å; D270-A272 PolarHBondContact O-N 3.45Å; D270-N273 PolarHBondContact O-N 2.76Å; D270-V274 VanDerWaalsContact O-CG2 3.3Å; D270-V274 WeakPolarHBondContact O-CG2 3.34Å; D270-V274 PolarHBondContact O-N 2.97Å
271	D	53.4	Low	63	Low	105 Å²	105	110.8 Å²	110.8	56%	0.561	58%	0.576	S	S	*	*	H	α-helix	trans	-66.2	-33.2	177.1	-89.7	-18.8	0	0	0	113.2	S267 R275	S267-D271 PolarHBondContact O-N 2.53Å; D271-R275 WeakPolarHBondContact O-CB 3.42Å; D271-R275 WeakPolarHBondContact O-CG 3.35Å; D271-R275 PolarHBondContact O-N 3.2Å
272	A	54.9	Low	60.3	Low	58 Å²	58	119.4 Å²	119.4	48%	0.479	61%	0.612	S	S	.	*	H	α-helix	trans	-69.1	-38.6	175.8	0	0	0	0	0	112	G268 T269 D270 R275 G276	G268-A272 PolarHBondContact O-N 2.75Å; G268-A272 VanDerWaalsContact O-N 3.17Å; T269-A272 PolarHBondContact O-N 2.92Å; D270-A272 VanDerWaalsContact C-N 3.34Å; D270-A272 PolarHBondContact O-N 3.45Å; A272-R275 PolarHBondContact O-N 2.96Å; A272-G276 PolarHBondContact O-N 3.47Å
273	N	44.8	Very low	58.6	Low	108 Å²	108	125.3 Å²	125.3	58%	0.578	64%	0.643	S	S	*	*	H	α-helix	trans	-69.2	-36.9	174.8	-79.3	-20.6	0	0	0	112.1	T269 D270 G276 M277	T269-N273 PolarHBondContact O-N 3.43Å; T269-N273 VanDerWaalsContact O-N 3.11Å; D270-N273 PolarHBondContact O-N 2.76Å; N273-G276 PolarHBondContact O-N 3.39Å; N273-M277 PolarHBondContact O-N 2.9Å
274	V	51.1	Low	56.8	Low	97 Å²	97	125.4 Å²	125.4	59%	0.588	65%	0.648	S	S	*	*	H	α-helix	trans	-68.1	-36.9	174.8	175.7	0	0	0	0	111.8	D270 G276 M277	D270-V274 VanDerWaalsContact O-CG2 3.3Å; D270-V274 WeakPolarHBondContact O-CG2 3.34Å; D270-V274 PolarHBondContact O-N 2.97Å; V274-G276 VanDerWaalsContact C-N 3.35Å; V274-M277 PolarHBondContact O-N 2.94Å
275	R	45.6	Very low	54.8	Low	200 Å²	200	124.8 Å²	124.8	76%	0.755	65%	0.649	S	S	*	*	H	α-helix	trans	-72.2	-26	175.5	-75.5	-179.1	179.3	-170	2.4	113.5	D271 A272 S278	D271-R275 WeakPolarHBondContact O-CB 3.42Å; D271-R275 WeakPolarHBondContact O-CG 3.35Å; D271-R275 PolarHBondContact O-N 3.2Å; A272-R275 PolarHBondContact O-N 2.96Å; R275-S278 PolarHBondContact O-OG 2.77Å
276	G	44.4	Very low	52.9	Low	60 Å²	60	126 Å²	126	62%	0.619	66%	0.664	S	S	*	*	H	α-helix	trans	-70.2	-29.5	173.4	0	0	0	0	0	113.9	A272 N273 V274	A272-G276 PolarHBondContact O-N 3.47Å; N273-G276 PolarHBondContact O-N 3.39Å; V274-G276 VanDerWaalsContact C-N 3.35Å
277	M	47.2	Very low	51	Low	171 Å²	171	127.9 Å²	127.9	84%	0.842	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.6	-0.2	-177.1	-74.6	174.5	65.4	0	0	115.1	N273 V274	N273-M277 PolarHBondContact O-N 2.9Å; V274-M277 PolarHBondContact O-N 2.94Å
278	S	46	Very low	49.1	Very low	91 Å²	91	131.9 Å²	131.9	64%	0.636	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.9	18.7	-176.9	52.4	0	0	0	0	114.7	R275	R275-S278 PolarHBondContact O-OG 2.77Å
279	R	42.6	Very low	47.7	Very low	228 Å²	228	138.6 Å²	138.6	86%	0.86	71%	0.712	S	S	*	*	S	Bend	trans	-131.1	47.2	177.1	-72.8	-169.1	174.9	-172.6	-0.4	114.1
280	E	41.1	Very low	46.6	Very low	181 Å²	181	143 Å²	143	85%	0.846	73%	0.729	S	S	*	*			trans	-142.6	86.7	156.7	-74.7	-171.9	161.8	0	0	107.5
281	D	39.5	Very low	45.8	Very low	167 Å²	167	145.8 Å²	145.8	89%	0.893	74%	0.741	S	S	*	*			trans	-174.5	85.6	160.9	-93.9	-23.5	0	0	0	108.5
282	K	39.4	Very low	45.1	Very low	284 Å²	284	149.5 Å²	149.5	100%	1.235	76%	0.757	S	S	*	*			trans	177.8	0	152	-100.5	171.1	-168.8	-172.9	0	110.2

Retrieved 282 of 282 residues in 595.1 ms (Link to these results)

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