SMH4_MAIZE Loading...

Single myb histone 4

Binds preferentially double-stranded telomeric repeats, but may also bind to the single telomeric strand.

AlphaFold DB , UniProt , Accession Q8W119, Species MAIZE (Zea mays, Maize), Gene SMH4, Length 288 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	45.4	Very low	74.5	Confident	246 Å²	246	126.2 Å²	126.2	100%	1.212	70%	0.698	S	S	*	*				0	99.8	0	-66.5	-67.8	-130.2	0	0	108.1
2	G	57.1	Low	76.1	Confident	80 Å²	80	116.3 Å²	116.3	83%	0.825	64%	0.643	S	S	*	*	P	Polyproline II helix	trans	-79	128.3	176.2	0	0	0	0	0	109.8
3	A	59.6	Low	77.5	Confident	92 Å²	92	110.7 Å²	110.7	76%	0.76	61%	0.609	S	S	*	*	P	Polyproline II helix	trans	-57.1	136.5	176.1	0	0	0	0	0	110	K5	A3-K5 PolarHBondContact O-N 3.3Å
4	P	63.5	Low	78.6	Confident	117 Å²	117	108.9 Å²	108.9	76%	0.76	60%	0.598	S	S	*	*	P	Polyproline II helix	trans	-57.9	134.5	177	23.9	-32.2	0	0	0	109.4	Q6	P4-Q6 PolarHBondContact O-N 2.85Å
5	K	69.6	Low	79.7	Confident	205 Å²	205	102.3 Å²	102.3	89%	0.891	56%	0.564	S	S	*	*			trans	-64.1	98.5	176.9	-69.7	-177.7	178.7	177.8	0	108.7	A3 K7	A3-K5 PolarHBondContact O-N 3.3Å; K5-K7 PolarHBondContact O-N 3.14Å; K5-K7 VanDerWaalsContact O-N 3.13Å
6	Q	75.3	Confident	80.6	Confident	122 Å²	122	95.9 Å²	95.9	57%	0.57	53%	0.529	S	S	*	.			trans	-62.2	114.5	178.6	-173.7	79.6	-12.7	0	0	108.9	P4 R44	P4-Q6 PolarHBondContact O-N 2.85Å; Q6-R44 VanDerWaalsContact CB-NH1 3.31Å; Q6-R44 PolarHBondContact O-NH1 2.98Å; Q6-R44 PolarHBondContact O-NH2 3.26Å
7	K	86.2	Confident	81.5	Confident	187 Å²	187	94.9 Å²	94.9	81%	0.813	52%	0.515	S	S	*	.	P	Polyproline II helix	trans	-70.4	141.1	175.2	-67	-175.2	179.5	-175.8	0	109.1	K5 T9 R44	K5-K7 PolarHBondContact O-N 3.14Å; K5-K7 VanDerWaalsContact O-N 3.13Å; K7-T9 PolarHBondContact O-N 3.2Å; K7-R44 VanDerWaalsContact C-NH2 3.26Å; K7-R44 PolarHBondContact O-NH2 2.99Å
8	W	89.4	Confident	82.2	Confident	50 Å²	50	90.9 Å²	90.9	19%	0.189	50%	0.497	C	S	.	.	P	Polyproline II helix	trans	-69	127.6	175.6	-78.7	76.9	0	0	0	110.1	E12 E13 L16 L41 R44 D48 L49 K52	W8-E12 WeakPolarHBondContact CA-OE2 3.42Å; W8-E12 HydrophobicContact CE3-CB 3.64Å; W8-E12 HydrophobicContact CZ3-CB 3.94Å; W8-E13 HydrophobicContact CB-CG 4.09Å; W8-E13 HydrophobicContact CE3-CG 4.15Å; W8-L16 HydrophobicContact CH2-CD2 3.84Å; W8-L16 HydrophobicContact CZ3-CB 4.25Å; W8-L16 HydrophobicContact CZ3-CD2 3.85Å; W8-L41 HydrophobicContact CZ3-CD2 4.25Å; W8-R44 HydrophobicContact CH2-CG 4.3Å; W8-R44 HydrophobicContact CZ2-CG 4.38Å; W8-D48 HydrophobicContact CZ2-CB 4.16Å; W8-L49 HydrophobicContact CH2-CD1 4.14Å; W8-L49 HydrophobicContact CH2-CG 4.35Å; W8-K52 HydrophobicContact CB-CD 4.4Å; W8-K52 HydrophobicContact CD2-CB 4.09Å; W8-K52 HydrophobicContact CD2-CD 3.54Å; W8-K52 VanDerWaalsContact CD2-CE 3.49Å; W8-K52 HydrophobicContact CD2-CG 3.48Å; W8-K52 VanDerWaalsContact CD2-CG 3.48Å; W8-K52 VanDerWaalsContact CE2-CB 3.42Å; W8-K52 HydrophobicContact CE3-CB 4.46Å; W8-K52 HydrophobicContact CE3-CD 4.13Å; W8-K52 HydrophobicContact CE3-CG 3.69Å; W8-K52 HydrophobicContact CG-CD 3.62Å; W8-K52 HydrophobicContact CG-CG 4.14Å; W8-K52 VanDerWaalsContact CG-NZ 3.34Å; W8-K52 HydrophobicContact CH2-CB 3.68Å; W8-K52 HydrophobicContact CH2-CG 3.75Å; W8-K52 HydrophobicContact CZ2-CB 3.2Å; W8-K52 HydrophobicContact CZ2-CD 4.3Å; W8-K52 HydrophobicContact CZ2-CG 3.55Å; W8-K52 HydrophobicContact CZ3-CB 4.27Å; W8-K52 HydrophobicContact CZ3-CG 3.81Å
9	T	91	Very high	82.9	Confident	66 Å²	66	86.1 Å²	86.1	41%	0.405	47%	0.471	S	S	.	.	P	Polyproline II helix	trans	-82.4	157.8	171	66.3	0	0	0	0	110.2	K7 E11 E12 E13	K7-T9 PolarHBondContact O-N 3.2Å; T9-E11 PolarHBondContact O-N 3.23Å; T9-E12 PolarHBondContact N-OE2 2.77Å; T9-E12 PolarHBondContact O-N 3.04Å; T9-E12 VanDerWaalsContact OG1-CG 3.25Å; T9-E12 WeakPolarHBondContact OG1-CG 3.29Å; T9-E12 PolarHBondContact OG1-N 2.93Å; T9-E12 PolarHBondContact OG1-OE2 3.02Å; T9-E13 WeakPolarHBondContact O-CG 3.43Å; T9-E13 PolarHBondContact O-N 3.36Å
10	S	90.2	Very high	83.5	Confident	90 Å²	90	82.4 Å²	82.4	63%	0.629	45%	0.451	S	S	*	.	H	α-helix	trans	-60.6	-32.9	177.4	-171.9	0	0	0	0	112.2	E13 D14	S10-E13 PolarHBondContact O-N 3.24Å; S10-D14 WeakPolarHBondContact O-CB 2.97Å; S10-D14 PolarHBondContact O-N 3.44Å
11	E	92.6	Very high	83.9	Confident	133 Å²	133	87.7 Å²	87.7	62%	0.621	46%	0.464	S	S	*	.	H	α-helix	trans	-66.4	-44.3	176.2	-169.9	-177.6	-175.5	0	0	111.4	T9 E13 D14 A15 V40	T9-E11 PolarHBondContact O-N 3.23Å; E11-E13 VanDerWaalsContact C-N 3.34Å; E11-E13 PolarHBondContact O-N 2.88Å; E11-D14 PolarHBondContact O-N 3.38Å; E11-A15 VanDerWaalsContact O-CB 3.29Å; E11-A15 WeakPolarHBondContact O-CB 3.36Å; E11-A15 PolarHBondContact O-N 2.9Å; E11-V40 HydrophobicContact CB-CG1 4.45Å; E11-V40 HydrophobicContact CG-CG1 3.96Å; E11-V40 HydrophobicContact CG-CG2 4.14Å
12	E	93.5	Very high	86.3	Confident	8 Å²	8	81 Å²	81	4%	0.037	43%	0.428	C	S	.	.	H	α-helix	trans	-62.9	-40.6	174.3	-72	172.7	130.1	0	0	111.9	W8 T9 L16 V40 L41 S43 R44	W8-E12 WeakPolarHBondContact CA-OE2 3.42Å; W8-E12 HydrophobicContact CE3-CB 3.64Å; W8-E12 HydrophobicContact CZ3-CB 3.94Å; T9-E12 PolarHBondContact N-OE2 2.77Å; T9-E12 PolarHBondContact O-N 3.04Å; T9-E12 VanDerWaalsContact OG1-CG 3.25Å; T9-E12 WeakPolarHBondContact OG1-CG 3.29Å; T9-E12 PolarHBondContact OG1-N 2.93Å; T9-E12 PolarHBondContact OG1-OE2 3.02Å; E12-L16 VanDerWaalsContact O-CB 3.31Å; E12-L16 WeakPolarHBondContact O-CB 3.5Å; E12-L16 PolarHBondContact O-N 3.47Å; E12-V40 HydrophobicContact CB-CG1 4.19Å; E12-V40 HydrophobicContact CG-CG1 3.66Å; E12-L41 HydrophobicContact CB-CD2 4.32Å; E12-S43 PolarHBondContact OE1-OG 2.9Å; E12-R44 IonicContact OE1-CZ 2.8Å; E12-R44 IonicContact OE1-NE 3.41Å; E12-R44 PolarHBondContact OE1-NE 3.44Å; E12-R44 IonicContact OE1-NH2 3.49Å; E12-R44 PolarHBondContact OE1-NH2 2.75Å; E12-R44 IonicContact OE2-CZ 3.45Å; E12-R44 IonicContact OE2-NE 3.64Å; E12-R44 IonicContact OE2-NH2 3.34Å; E12-R44 PolarHBondContact OE2-NH2 3.29Å
13	E	93.8	Very high	88.1	Confident	43 Å²	43	79.1 Å²	79.1	20%	0.201	40%	0.398	C	S	.	.	H	α-helix	trans	-66.5	-39.1	176.9	-67.7	-175.9	179.1	0	0	112.5	W8 T9 S10 E11 L16 R17 K52	W8-E13 HydrophobicContact CB-CG 4.09Å; W8-E13 HydrophobicContact CE3-CG 4.15Å; T9-E13 WeakPolarHBondContact O-CG 3.43Å; T9-E13 PolarHBondContact O-N 3.36Å; S10-E13 PolarHBondContact O-N 3.24Å; E11-E13 VanDerWaalsContact C-N 3.34Å; E11-E13 PolarHBondContact O-N 2.88Å; E13-L16 PolarHBondContact O-N 3.45Å; E13-R17 WeakPolarHBondContact O-CG 3.31Å; E13-R17 PolarHBondContact O-N 2.95Å; E13-R17 IonicContact OE2-NH2 3.09Å; E13-R17 PolarHBondContact OE2-NH2 3.24Å; E13-K52 VanDerWaalsContact OE1-CE 3.26Å; E13-K52 WeakPolarHBondContact OE1-CE 3.33Å; E13-K52 IonicContact OE1-NZ 3.65Å; E13-K52 PolarHBondContact OE1-NZ 3.44Å
14	D	93.9	Very high	89.7	Confident	85 Å²	85	76.1 Å²	76.1	46%	0.455	38%	0.376	S	S	.	.	H	α-helix	trans	-71.2	-43.1	178.2	-162.1	59.5	0	0	0	111.9	S10 E11 L16 R17 A18	S10-D14 WeakPolarHBondContact O-CB 2.97Å; S10-D14 PolarHBondContact O-N 3.44Å; E11-D14 PolarHBondContact O-N 3.38Å; D14-L16 VanDerWaalsContact C-N 3.26Å; D14-L16 PolarHBondContact O-N 3.27Å; D14-R17 PolarHBondContact O-N 3.46Å; D14-R17 VanDerWaalsContact O-N 3.1Å; D14-R17 IonicContact OD1-NH1 3.52Å; D14-R17 PolarHBondContact OD1-NH1 2.76Å; D14-A18 WeakPolarHBondContact O-CB 3.38Å; D14-A18 PolarHBondContact O-N 2.77Å
15	A	94.3	Very high	91	Very high	11 Å²	11	73.7 Å²	73.7	9%	0.091	37%	0.366	C	S	.	.	H	α-helix	trans	-57.7	-39.3	170.7	0	0	0	0	0	111.6	E11 G19 F37 V40 L41	E11-A15 VanDerWaalsContact O-CB 3.29Å; E11-A15 WeakPolarHBondContact O-CB 3.36Å; E11-A15 PolarHBondContact O-N 2.9Å; A15-G19 PolarHBondContact O-N 3.5Å; A15-F37 HydrophobicContact CB-CB 4.43Å; A15-F37 HydrophobicContact CB-CD1 4.05Å; A15-V40 HydrophobicContact CB-CB 4.23Å; A15-V40 HydrophobicContact CB-CG1 4.14Å; A15-L41 HydrophobicContact CB-CD1 4.29Å; A15-L41 HydrophobicContact CB-CD2 4.24Å; A15-L41 HydrophobicContact CB-CG 4.11Å
16	L	94.7	Very high	92.1	Very high	0 Å²	0	66.1 Å²	66.1	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-66.6	-43	174.2	-179.9	58.8	0	0	0	112	W8 E12 E13 D14 G19 V20 W28 L49 K52 W53 L56	W8-L16 HydrophobicContact CH2-CD2 3.84Å; W8-L16 HydrophobicContact CZ3-CB 4.25Å; W8-L16 HydrophobicContact CZ3-CD2 3.85Å; E12-L16 VanDerWaalsContact O-CB 3.31Å; E12-L16 WeakPolarHBondContact O-CB 3.5Å; E12-L16 PolarHBondContact O-N 3.47Å; E13-L16 PolarHBondContact O-N 3.45Å; D14-L16 VanDerWaalsContact C-N 3.26Å; D14-L16 PolarHBondContact O-N 3.27Å; L16-G19 PolarHBondContact O-N 3.03Å; L16-V20 HydrophobicContact CD1-CG2 4.11Å; L16-V20 WeakPolarHBondContact O-CB 3.38Å; L16-V20 VanDerWaalsContact O-CG2 3.3Å; L16-V20 WeakPolarHBondContact O-CG2 3.47Å; L16-V20 PolarHBondContact O-N 2.75Å; L16-W28 HydrophobicContact CD1-CE3 4.47Å; L16-W28 HydrophobicContact CD1-CZ3 4.17Å; L16-L49 HydrophobicContact CD1-CB 4.07Å; L16-L49 HydrophobicContact CD1-CD2 4.32Å; L16-L49 HydrophobicContact CD1-CG 3.96Å; L16-K52 HydrophobicContact CD2-CB 3.84Å; L16-K52 HydrophobicContact CD2-CG 3.62Å; L16-W53 HydrophobicContact CD2-CB 4.35Å; L16-W53 HydrophobicContact CG-CE3 4.23Å; L16-L56 HydrophobicContact CD2-CD1 3.94Å
17	R	94.8	Very high	93	Very high	79 Å²	79	65.9 Å²	65.9	30%	0.298	34%	0.343	S	S	.	.	H	α-helix	trans	-63.4	-45.8	176.1	-75.8	-179.2	-124	110.3	-1.1	111.9	E13 D14 V20 R21 W53	E13-R17 WeakPolarHBondContact O-CG 3.31Å; E13-R17 PolarHBondContact O-N 2.95Å; E13-R17 IonicContact OE2-NH2 3.09Å; E13-R17 PolarHBondContact OE2-NH2 3.24Å; D14-R17 PolarHBondContact O-N 3.46Å; D14-R17 VanDerWaalsContact O-N 3.1Å; D14-R17 IonicContact OD1-NH1 3.52Å; D14-R17 PolarHBondContact OD1-NH1 2.76Å; R17-V20 PolarHBondContact O-N 3.45Å; R17-R21 WeakPolarHBondContact O-CB 3.39Å; R17-R21 PolarHBondContact O-N 3.18Å; R17-W53 HydrophobicContact CG-CZ3 4.2Å
18	A	94.4	Very high	93.4	Very high	22 Å²	22	58.4 Å²	58.4	18%	0.182	31%	0.31	C	S	.	.	H	α-helix	trans	-63.8	-43.6	176.4	0	0	0	0	0	111.3	D14 V20 R21 K22 F37	D14-A18 WeakPolarHBondContact O-CB 3.38Å; D14-A18 PolarHBondContact O-N 2.77Å; A18-V20 PolarHBondContact O-N 3.13Å; A18-R21 WeakPolarHBondContact O-CB 3.38Å; A18-R21 PolarHBondContact O-N 2.8Å; A18-K22 WeakPolarHBondContact O-CB 3.49Å; A18-K22 PolarHBondContact O-N 2.86Å; A18-F37 HydrophobicContact CB-CD1 4.47Å; A18-F37 HydrophobicContact CB-CE1 3.54Å; A18-F37 HydrophobicContact CB-CZ 3.87Å
19	G	95.1	Very high	93.7	Very high	0 Å²	0	64.6 Å²	64.6	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-62.1	-42.2	176.4	0	0	0	0	0	113.4	A15 L16 K22 H23 I31	A15-G19 PolarHBondContact O-N 3.5Å; L16-G19 PolarHBondContact O-N 3.03Å; G19-K22 PolarHBondContact O-N 3.34Å; G19-H23 PolarHBondContact O-N 3.42Å; G19-I31 WeakPolarHBondContact O-CG1 3.39Å
20	V	94.9	Very high	93.8	Very high	12 Å²	12	64.7 Å²	64.7	7%	0.073	33%	0.334	C	S	.	.	H	α-helix	trans	-68.2	-36	174.2	174.2	0	0	0	0	111.7	L16 R17 A18 K22 G24 A25 W28 I31 W53	L16-V20 HydrophobicContact CD1-CG2 4.11Å; L16-V20 WeakPolarHBondContact O-CB 3.38Å; L16-V20 VanDerWaalsContact O-CG2 3.3Å; L16-V20 WeakPolarHBondContact O-CG2 3.47Å; L16-V20 PolarHBondContact O-N 2.75Å; R17-V20 PolarHBondContact O-N 3.45Å; A18-V20 PolarHBondContact O-N 3.13Å; V20-K22 VanDerWaalsContact C-N 3.33Å; V20-G24 CarbonylContact O-C 3.57Å; V20-G24 WeakPolarHBondContact O-CA 3.19Å; V20-G24 PolarHBondContact O-N 2.86Å; V20-A25 HydrophobicContact CG1-CB 3.88Å; V20-W28 HydrophobicContact CG2-CH2 4.07Å; V20-W28 HydrophobicContact CG2-CZ3 3.54Å; V20-I31 HydrophobicContact CB-CD1 4.49Å; V20-I31 HydrophobicContact CG2-CD1 3.74Å; V20-W53 HydrophobicContact CB-CD2 4.34Å; V20-W53 HydrophobicContact CB-CE3 4.04Å; V20-W53 HydrophobicContact CB-CH2 3.73Å; V20-W53 HydrophobicContact CB-CZ2 4.08Å; V20-W53 HydrophobicContact CB-CZ3 3.71Å; V20-W53 HydrophobicContact CG1-CD2 4.17Å; V20-W53 HydrophobicContact CG1-CE3 4.27Å; V20-W53 HydrophobicContact CG1-CH2 3.41Å; V20-W53 VanDerWaalsContact CG1-CH2 3.41Å; V20-W53 HydrophobicContact CG1-CZ2 3.31Å; V20-W53 HydrophobicContact CG1-CZ3 3.91Å; V20-W53 HydrophobicContact CG2-CD2 3.79Å; V20-W53 HydrophobicContact CG2-CE3 3.62Å; V20-W53 HydrophobicContact CG2-CG 4.4Å; V20-W53 HydrophobicContact CG2-CH2 4.22Å; V20-W53 HydrophobicContact CG2-CZ2 4.4Å; V20-W53 HydrophobicContact CG2-CZ3 3.84Å
21	R	93.4	Very high	94	Very high	194 Å²	194	60.4 Å²	60.4	73%	0.732	30%	0.304	S	S	*	.	H	α-helix	trans	-64	-37.7	173.1	-167.1	-176.5	-61.7	125.5	-0.9	112.1	R17 A18	R17-R21 WeakPolarHBondContact O-CB 3.39Å; R17-R21 PolarHBondContact O-N 3.18Å; A18-R21 WeakPolarHBondContact O-CB 3.38Å; A18-R21 PolarHBondContact O-N 2.8Å
22	K	94.9	Very high	94	Very high	104 Å²	104	55.7 Å²	55.7	45%	0.452	28%	0.282	S	S	.	.	H	α-helix	trans	-78.1	-46.1	-178.4	-169.2	-176.1	-177.5	-175	0	113.3	A18 G19 V20 D34 E36 F37	A18-K22 WeakPolarHBondContact O-CB 3.49Å; A18-K22 PolarHBondContact O-N 2.86Å; G19-K22 PolarHBondContact O-N 3.34Å; V20-K22 VanDerWaalsContact C-N 3.33Å; K22-D34 WeakPolarHBondContact CE-OD2 3.36Å; K22-D34 IonicContact NZ-OD1 3.99Å; K22-D34 PolarHBondContact NZ-OD1 3.24Å; K22-D34 IonicContact NZ-OD2 3.42Å; K22-D34 PolarHBondContact NZ-OD2 3.42Å; K22-E36 VanDerWaalsContact NZ-CD 3.3Å; K22-E36 IonicContact NZ-OE1 2.67Å; K22-E36 IonicContact NZ-OE2 2.87Å; K22-E36 PolarHBondContact NZ-OE2 3.29Å; K22-F37 HydrophobicContact CB-CE2 4.38Å; K22-F37 HydrophobicContact CD-CE2 3.82Å; K22-F37 HydrophobicContact CD-CZ 4.13Å
23	H	94.7	Very high	93.9	Very high	41 Å²	41	62.9 Å²	62.9	19%	0.19	31%	0.313	C	S	.	.	H	α-helix	trans	-102.8	-23.4	-173	-71.9	-71.4	0	0	0	114.5	G19 K27 T30 I31 D34	G19-H23 PolarHBondContact O-N 3.42Å; H23-K27 HydrophobicContact CB-CB 4.1Å; H23-K27 HydrophobicContact CB-CD 4.27Å; H23-K27 WeakPolarHBondContact O-CD 3.46Å; H23-K27 VanDerWaalsContact O-CE 3.27Å; H23-K27 WeakPolarHBondContact O-CE 3Å; H23-K27 PolarHBondContact O-NZ 2.95Å; H23-T30 WeakPolarHBondContact ND1-CG2 3.33Å; H23-I31 HydrophobicContact CB-CD1 4.39Å; H23-I31 HydrophobicContact CB-CG1 3.82Å; H23-D34 IonicContact CD2-OD2 2.73Å; H23-D34 IonicContact CE1-OD2 3.17Å; H23-D34 IonicContact NE2-OD2 2.76Å; H23-D34 PolarHBondContact NE2-OD2 3.06Å
24	G	92.6	Very high	93.9	Very high	30 Å²	30	61.5 Å²	61.5	31%	0.309	31%	0.307	S	S	.	.			trans	95.2	152.1	-170.1	0	0	0	0	0	113.2	V20 G26 K27	V20-G24 CarbonylContact O-C 3.57Å; V20-G24 WeakPolarHBondContact O-CA 3.19Å; V20-G24 PolarHBondContact O-N 2.86Å; G24-G26 PolarHBondContact O-N 2.91Å; G24-K27 PolarHBondContact O-N 3.07Å
25	A	91.9	Very high	93.8	Very high	65 Å²	65	63 Å²	63	54%	0.537	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	135.1	175.8	0	0	0	0	0	109.9	V20 W28	V20-A25 HydrophobicContact CG1-CB 3.88Å; A25-W28 HydrophobicContact CB-CH2 4.2Å
26	G	92.8	Very high	93.7	Very high	47 Å²	47	68.4 Å²	68.4	49%	0.485	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	106.1	-24.8	-177.6	0	0	0	0	0	114.4	G24 W28	G24-G26 PolarHBondContact O-N 2.91Å; G26-W28 PolarHBondContact O-N 3Å
27	K	94.1	Very high	93.6	Very high	116 Å²	116	69.3 Å²	69.3	50%	0.504	35%	0.349	S	S	.	.			trans	-84.1	47.7	178.3	-60.4	-164.6	-166.3	148.7	0	112.8	H23 G24 R29 T30 I31	H23-K27 HydrophobicContact CB-CB 4.1Å; H23-K27 HydrophobicContact CB-CD 4.27Å; H23-K27 WeakPolarHBondContact O-CD 3.46Å; H23-K27 VanDerWaalsContact O-CE 3.27Å; H23-K27 WeakPolarHBondContact O-CE 3Å; H23-K27 PolarHBondContact O-NZ 2.95Å; G24-K27 PolarHBondContact O-N 3.07Å; K27-R29 VanDerWaalsContact C-N 3.35Å; K27-R29 PolarHBondContact O-N 3.25Å; K27-T30 WeakPolarHBondContact O-CB 3.5Å; K27-T30 PolarHBondContact O-N 3.23Å; K27-I31 WeakPolarHBondContact O-CG1 3.45Å; K27-I31 PolarHBondContact O-N 3.48Å
28	W	95	Very high	93.4	Very high	30 Å²	30	67.1 Å²	67.1	11%	0.114	35%	0.345	C	S	.	.	H	α-helix	trans	-59.2	-40.8	-171	-49	118.6	0	0	0	113.7	L16 V20 A25 G26 I31 Q32 N46 L49 K50 W53	L16-W28 HydrophobicContact CD1-CE3 4.47Å; L16-W28 HydrophobicContact CD1-CZ3 4.17Å; V20-W28 HydrophobicContact CG2-CH2 4.07Å; V20-W28 HydrophobicContact CG2-CZ3 3.54Å; A25-W28 HydrophobicContact CB-CH2 4.2Å; G26-W28 PolarHBondContact O-N 3Å; W28-I31 HydrophobicContact CE3-CD1 4.04Å; W28-I31 HydrophobicContact CZ3-CD1 4.16Å; W28-I31 PolarHBondContact O-N 3.33Å; W28-Q32 VanDerWaalsContact O-CB 3.28Å; W28-Q32 WeakPolarHBondContact O-CB 3.44Å; W28-Q32 PolarHBondContact O-N 3.24Å; W28-N46 HydrophobicContact CB-CB 3.95Å; W28-L49 HydrophobicContact CE3-CB 4.11Å; W28-K50 HydrophobicContact CD2-CB 4.15Å; W28-K50 HydrophobicContact CG-CB 4.17Å; W28-K50 HydrophobicContact CZ2-CB 4.47Å; W28-K50 HydrophobicContact CZ2-CG 4.23Å; W28-W53 HydrophobicContact CH2-CB 3.5Å; W28-W53 VanDerWaalsContact CH2-CB 3.5Å; W28-W53 AromaticContact CH2-CD1 3.43Å; W28-W53 VanDerWaalsContact CH2-CD1 3.43Å; W28-W53 HydrophobicContact CH2-CD2 4.22Å; W28-W53 AromaticContact CH2-CG 3.39Å; W28-W53 HydrophobicContact CH2-CG 3.39Å; W28-W53 HydrophobicContact CZ2-CB 4.31Å; W28-W53 HydrophobicContact CZ2-CG 4.33Å; W28-W53 HydrophobicContact CZ3-CB 3.79Å; W28-W53 AromaticContact CZ3-CG 3.95Å; W28-W53 HydrophobicContact CZ3-CG 3.95Å
29	R	94.1	Very high	93.3	Very high	181 Å²	181	71.1 Å²	71.1	68%	0.683	37%	0.369	S	S	*	.	H	α-helix	trans	-66.2	-39	175.4	-80.8	-162.8	179.4	170.2	1.3	112.2	K27 Q32 K33 N46	K27-R29 VanDerWaalsContact C-N 3.35Å; K27-R29 PolarHBondContact O-N 3.25Å; R29-Q32 PolarHBondContact O-N 2.69Å; R29-K33 WeakPolarHBondContact O-CB 3.28Å; R29-K33 WeakPolarHBondContact O-CG 3.39Å; R29-K33 PolarHBondContact O-N 3.1Å; R29-N46 HydrophobicContact CG-CB 4.08Å
30	T	93.2	Very high	93.1	Very high	67 Å²	67	72.4 Å²	72.4	41%	0.411	38%	0.377	S	S	.	.	H	α-helix	trans	-65.8	-44.1	177.5	-45.7	0	0	0	0	110.6	H23 K27 Q32 K33 D34	H23-T30 WeakPolarHBondContact ND1-CG2 3.33Å; K27-T30 WeakPolarHBondContact O-CB 3.5Å; K27-T30 PolarHBondContact O-N 3.23Å; T30-Q32 VanDerWaalsContact C-N 3.35Å; T30-Q32 PolarHBondContact O-N 2.99Å; T30-K33 PolarHBondContact O-N 2.64Å; T30-D34 PolarHBondContact O-N 2.84Å
31	I	94.6	Very high	93	Very high	0 Å²	0	71.9 Å²	71.9	0%	0	37%	0.374	C	S	.	.	H	α-helix	trans	-61.8	-43.5	175.9	-65.2	166	0	0	0	111	G19 V20 H23 K27 W28 K33 D34 F37 L41 L49	G19-I31 WeakPolarHBondContact O-CG1 3.39Å; V20-I31 HydrophobicContact CB-CD1 4.49Å; V20-I31 HydrophobicContact CG2-CD1 3.74Å; H23-I31 HydrophobicContact CB-CD1 4.39Å; H23-I31 HydrophobicContact CB-CG1 3.82Å; K27-I31 WeakPolarHBondContact O-CG1 3.45Å; K27-I31 PolarHBondContact O-N 3.48Å; W28-I31 HydrophobicContact CE3-CD1 4.04Å; W28-I31 HydrophobicContact CZ3-CD1 4.16Å; W28-I31 PolarHBondContact O-N 3.33Å; I31-K33 VanDerWaalsContact C-N 3.3Å; I31-K33 PolarHBondContact O-N 3.01Å; I31-D34 PolarHBondContact O-N 2.93Å; I31-F37 HydrophobicContact CG2-CD2 4.45Å; I31-L41 HydrophobicContact CG2-CD1 3.76Å; I31-L49 HydrophobicContact CB-CD2 4.45Å; I31-L49 HydrophobicContact CG2-CD2 4.08Å
32	Q	92.9	Very high	92.7	Very high	34 Å²	34	66 Å²	66	16%	0.159	36%	0.362	C	S	.	.	H	α-helix	trans	-65.6	-31.3	178.4	-168.6	-168	26.8	0	0	112.9	W28 R29 T30 S38 R44 L49	W28-Q32 VanDerWaalsContact O-CB 3.28Å; W28-Q32 WeakPolarHBondContact O-CB 3.44Å; W28-Q32 PolarHBondContact O-N 3.24Å; R29-Q32 PolarHBondContact O-N 2.69Å; T30-Q32 VanDerWaalsContact C-N 3.35Å; T30-Q32 PolarHBondContact O-N 2.99Å; Q32-S38 WeakPolarHBondContact O-CA 3.46Å; Q32-R44 PolarHBondContact NE2-O 3.5Å; Q32-L49 HydrophobicContact CB-CD2 4.14Å
33	K	91.8	Very high	92.4	Very high	160 Å²	160	64.9 Å²	64.9	70%	0.696	37%	0.368	S	S	*	.	H	α-helix	trans	-95.2	-7.2	-178.3	-68.7	-66	-178.7	-173.8	0	114.1	R29 T30 I31	R29-K33 WeakPolarHBondContact O-CB 3.28Å; R29-K33 WeakPolarHBondContact O-CG 3.39Å; R29-K33 PolarHBondContact O-N 3.1Å; T30-K33 PolarHBondContact O-N 2.64Å; I31-K33 VanDerWaalsContact C-N 3.3Å; I31-K33 PolarHBondContact O-N 3.01Å
34	D	93.1	Very high	92.2	Very high	14 Å²	14	63.7 Å²	63.7	8%	0.075	36%	0.362	C	S	.	.	S	Bend	trans	-62.1	129	177.7	-169.2	-53.1	0	0	0	109.7	K22 H23 T30 I31 E36 F37 S38	K22-D34 WeakPolarHBondContact CE-OD2 3.36Å; K22-D34 IonicContact NZ-OD1 3.99Å; K22-D34 PolarHBondContact NZ-OD1 3.24Å; K22-D34 IonicContact NZ-OD2 3.42Å; K22-D34 PolarHBondContact NZ-OD2 3.42Å; H23-D34 IonicContact CD2-OD2 2.73Å; H23-D34 IonicContact CE1-OD2 3.17Å; H23-D34 IonicContact NE2-OD2 2.76Å; H23-D34 PolarHBondContact NE2-OD2 3.06Å; T30-D34 PolarHBondContact O-N 2.84Å; I31-D34 PolarHBondContact O-N 2.93Å; D34-E36 PolarHBondContact O-N 3.41Å; D34-E36 VanDerWaalsContact O-N 3.08Å; D34-E36 WeakPolarHBondContact OD1-CB 3.47Å; D34-E36 PolarHBondContact OD1-N 3.02Å; D34-F37 HydrophobicContact CB-CD2 3.77Å; D34-F37 HydrophobicContact CB-CE2 4.37Å; D34-F37 PolarHBondContact O-N 3.24Å; D34-F37 VanDerWaalsContact O-N 3.14Å; D34-S38 WeakPolarHBondContact O-CA 3.4Å; D34-S38 WeakPolarHBondContact O-CB 3.26Å; D34-S38 PolarHBondContact O-N 3.09Å
35	P	92.9	Very high	92.1	Very high	116 Å²	116	64.2 Å²	64.2	75%	0.753	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.9	-29.3	177.7	-27.8	35.2	0	0	0	114.9	P39	P35-P39 WeakPolarHBondContact O-CD 3.35Å
36	E	91.4	Very high	92.2	Very high	125 Å²	125	63.4 Å²	63.4	58%	0.584	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-36.8	-179.6	-66.6	-177.2	156.9	0	0	112.9	K22 D34	K22-E36 VanDerWaalsContact NZ-CD 3.3Å; K22-E36 IonicContact NZ-OE1 2.67Å; K22-E36 IonicContact NZ-OE2 2.87Å; K22-E36 PolarHBondContact NZ-OE2 3.29Å; D34-E36 PolarHBondContact O-N 3.41Å; D34-E36 VanDerWaalsContact O-N 3.08Å; D34-E36 WeakPolarHBondContact OD1-CB 3.47Å; D34-E36 PolarHBondContact OD1-N 3.02Å
37	F	93	Very high	92.1	Very high	19 Å²	19	66.3 Å²	66.3	8%	0.083	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.6	-18.9	-174.4	-45.6	-58.5	0	0	0	113.1	A15 A18 K22 I31 D34 P39 V40 L41	A15-F37 HydrophobicContact CB-CB 4.43Å; A15-F37 HydrophobicContact CB-CD1 4.05Å; A18-F37 HydrophobicContact CB-CD1 4.47Å; A18-F37 HydrophobicContact CB-CE1 3.54Å; A18-F37 HydrophobicContact CB-CZ 3.87Å; K22-F37 HydrophobicContact CB-CE2 4.38Å; K22-F37 HydrophobicContact CD-CE2 3.82Å; K22-F37 HydrophobicContact CD-CZ 4.13Å; I31-F37 HydrophobicContact CG2-CD2 4.45Å; D34-F37 HydrophobicContact CB-CD2 3.77Å; D34-F37 HydrophobicContact CB-CE2 4.37Å; D34-F37 PolarHBondContact O-N 3.24Å; D34-F37 VanDerWaalsContact O-N 3.14Å; F37-P39 VanDerWaalsContact C-CD 3.42Å; F37-V40 PolarHBondContact O-N 2.93Å; F37-V40 VanDerWaalsContact O-N 3.14Å; F37-L41 HydrophobicContact CB-CD1 3.74Å; F37-L41 HydrophobicContact CB-CG 4.25Å; F37-L41 WeakPolarHBondContact O-CB 3.43Å; F37-L41 WeakPolarHBondContact O-CG 3.32Å; F37-L41 PolarHBondContact O-N 3.47Å
38	S	90.3	Very high	92.1	Very high	33 Å²	33	64 Å²	64	23%	0.231	34%	0.344	C	S	.	.	H	α-helix	trans	-53.1	-42.7	178.7	173.9	0	0	0	0	113.1	Q32 D34 V40 S42	Q32-S38 WeakPolarHBondContact O-CA 3.46Å; D34-S38 WeakPolarHBondContact O-CA 3.4Å; D34-S38 WeakPolarHBondContact O-CB 3.26Å; D34-S38 PolarHBondContact O-N 3.09Å; S38-V40 PolarHBondContact O-N 3.36Å; S38-S42 WeakPolarHBondContact O-CA 3.49Å; S38-S42 WeakPolarHBondContact O-CB 3.37Å; S38-S42 PolarHBondContact O-N 3.36Å; S38-S42 PolarHBondContact O-OG 2.99Å; S38-S42 PolarHBondContact OG-OG 2.91Å; S38-S42 VanDerWaalsContact OG-OG 3.1Å
39	P	92	Very high	92	Very high	105 Å²	105	62.6 Å²	62.6	68%	0.682	34%	0.339	S	S	*	.	H	α-helix	trans	-59.1	-35.7	179	-24.3	34.5	0	0	0	113.4	P35 F37	P35-P39 WeakPolarHBondContact O-CD 3.35Å; F37-P39 VanDerWaalsContact C-CD 3.42Å
40	V	91.9	Very high	92	Very high	28 Å²	28	59.8 Å²	59.8	17%	0.17	33%	0.331	C	S	.	.	H	α-helix	trans	-89.1	-42.9	-177	-175.9	0	0	0	0	111.1	E11 E12 A15 F37 S38 S43	E11-V40 HydrophobicContact CB-CG1 4.45Å; E11-V40 HydrophobicContact CG-CG1 3.96Å; E11-V40 HydrophobicContact CG-CG2 4.14Å; E12-V40 HydrophobicContact CB-CG1 4.19Å; E12-V40 HydrophobicContact CG-CG1 3.66Å; A15-V40 HydrophobicContact CB-CB 4.23Å; A15-V40 HydrophobicContact CB-CG1 4.14Å; F37-V40 PolarHBondContact O-N 2.93Å; F37-V40 VanDerWaalsContact O-N 3.14Å; S38-V40 PolarHBondContact O-N 3.36Å; V40-S43 PolarHBondContact O-OG 3.35Å
41	L	91.9	Very high	92	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-92.4	-8.2	-173	-59.7	-179	0	0	0	114.1	W8 E12 A15 I31 F37 S43 R44 L49	W8-L41 HydrophobicContact CZ3-CD2 4.25Å; E12-L41 HydrophobicContact CB-CD2 4.32Å; A15-L41 HydrophobicContact CB-CD1 4.29Å; A15-L41 HydrophobicContact CB-CD2 4.24Å; A15-L41 HydrophobicContact CB-CG 4.11Å; I31-L41 HydrophobicContact CG2-CD1 3.76Å; F37-L41 HydrophobicContact CB-CD1 3.74Å; F37-L41 HydrophobicContact CB-CG 4.25Å; F37-L41 WeakPolarHBondContact O-CB 3.43Å; F37-L41 WeakPolarHBondContact O-CG 3.32Å; F37-L41 PolarHBondContact O-N 3.47Å; L41-S43 PolarHBondContact O-N 2.95Å; L41-R44 WeakPolarHBondContact O-CB 3.36Å; L41-R44 PolarHBondContact O-N 3.34Å; L41-L49 HydrophobicContact CD1-CD2 4.03Å
42	S	88.3	Confident	91.9	Very high	70 Å²	70	61.7 Å²	61.7	49%	0.49	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-24.4	177.8	-79.2	0	0	0	0	113.3	S38 R44	S38-S42 WeakPolarHBondContact O-CA 3.49Å; S38-S42 WeakPolarHBondContact O-CB 3.37Å; S38-S42 PolarHBondContact O-N 3.36Å; S38-S42 PolarHBondContact O-OG 2.99Å; S38-S42 PolarHBondContact OG-OG 2.91Å; S38-S42 VanDerWaalsContact OG-OG 3.1Å; S42-R44 PolarHBondContact O-N 3.08Å
43	S	88.1	Confident	92	Very high	82 Å²	82	62.9 Å²	62.9	57%	0.573	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.3	-16.4	173.7	67.6	0	0	0	0	112.9	E12 V40 L41	E12-S43 PolarHBondContact OE1-OG 2.9Å; V40-S43 PolarHBondContact O-OG 3.35Å; L41-S43 PolarHBondContact O-N 2.95Å
44	R	89.8	Confident	91.9	Very high	16 Å²	16	61.9 Å²	61.9	6%	0.06	33%	0.332	C	S	.	.	S	Bend	trans	-107.7	145.8	-177.9	-59	-57.5	-177.7	153.5	5.6	111.1	Q6 K7 W8 E12 Q32 L41 S42 D48 L49	Q6-R44 VanDerWaalsContact CB-NH1 3.31Å; Q6-R44 PolarHBondContact O-NH1 2.98Å; Q6-R44 PolarHBondContact O-NH2 3.26Å; K7-R44 VanDerWaalsContact C-NH2 3.26Å; K7-R44 PolarHBondContact O-NH2 2.99Å; W8-R44 HydrophobicContact CH2-CG 4.3Å; W8-R44 HydrophobicContact CZ2-CG 4.38Å; E12-R44 IonicContact OE1-CZ 2.8Å; E12-R44 IonicContact OE1-NE 3.41Å; E12-R44 PolarHBondContact OE1-NE 3.44Å; E12-R44 IonicContact OE1-NH2 3.49Å; E12-R44 PolarHBondContact OE1-NH2 2.75Å; E12-R44 IonicContact OE2-CZ 3.45Å; E12-R44 IonicContact OE2-NE 3.64Å; E12-R44 IonicContact OE2-NH2 3.34Å; E12-R44 PolarHBondContact OE2-NH2 3.29Å; Q32-R44 PolarHBondContact NE2-O 3.5Å; L41-R44 WeakPolarHBondContact O-CB 3.36Å; L41-R44 PolarHBondContact O-N 3.34Å; S42-R44 PolarHBondContact O-N 3.08Å; R44-D48 HydrophobicContact CB-CB 4.27Å; R44-L49 HydrophobicContact CB-CD1 3.45Å; R44-L49 VanDerWaalsContact CB-CD1 3.45Å; R44-L49 HydrophobicContact CG-CD1 4.44Å
45	S	91.8	Very high	91.8	Very high	41 Å²	41	65.8 Å²	65.8	29%	0.287	35%	0.353	S	S	.	.			trans	-77.7	153.9	172.7	174.2	0	0	0	0	111.4	I47 D48 L49	S45-I47 PolarHBondContact O-N 2.81Å; S45-I47 PolarHBondContact OG-N 2.99Å; S45-D48 VanDerWaalsContact CB-OD2 3.31Å; S45-D48 WeakPolarHBondContact CB-OD2 3.22Å; S45-D48 PolarHBondContact N-OD2 3.32Å; S45-D48 WeakPolarHBondContact O-CA 3.25Å; S45-D48 WeakPolarHBondContact O-CB 3.27Å; S45-D48 PolarHBondContact O-N 2.96Å; S45-L49 WeakPolarHBondContact O-CD1 3.45Å; S45-L49 PolarHBondContact O-N 2.88Å
46	N	92.3	Very high	91.5	Very high	47 Å²	47	61.9 Å²	61.9	25%	0.251	33%	0.326	S	S	.	.	H	α-helix	trans	-56.1	-25.2	170.3	77.2	-68.1	0	0	0	112.5	W28 R29 K50	W28-N46 HydrophobicContact CB-CB 3.95Å; R29-N46 HydrophobicContact CG-CB 4.08Å; N46-K50 PolarHBondContact O-N 3.33Å
47	I	92.1	Very high	91.1	Very high	108 Å²	108	57.5 Å²	57.5	55%	0.554	31%	0.309	S	S	*	.	H	α-helix	trans	-70.7	-42.8	173.3	-60.6	167.1	0	0	0	110.8	S45 L49 K50 D51	S45-I47 PolarHBondContact O-N 2.81Å; S45-I47 PolarHBondContact OG-N 2.99Å; I47-L49 VanDerWaalsContact C-N 3.34Å; I47-K50 WeakPolarHBondContact O-CB 3.49Å; I47-K50 PolarHBondContact O-N 3.34Å; I47-D51 PolarHBondContact O-N 3.1Å
48	D	92.9	Very high	89.9	Confident	69 Å²	69	63.1 Å²	63.1	37%	0.369	33%	0.334	S	S	.	.	H	α-helix	trans	-63.2	-42.9	178.1	-60.7	-43.8	0	0	0	110.8	W8 R44 S45 K50 D51 K52	W8-D48 HydrophobicContact CZ2-CB 4.16Å; R44-D48 HydrophobicContact CB-CB 4.27Å; S45-D48 VanDerWaalsContact CB-OD2 3.31Å; S45-D48 WeakPolarHBondContact CB-OD2 3.22Å; S45-D48 PolarHBondContact N-OD2 3.32Å; S45-D48 WeakPolarHBondContact O-CA 3.25Å; S45-D48 WeakPolarHBondContact O-CB 3.27Å; S45-D48 PolarHBondContact O-N 2.96Å; D48-K50 VanDerWaalsContact C-N 3.31Å; D48-K50 PolarHBondContact O-N 3.31Å; D48-D51 PolarHBondContact O-N 2.8Å; D48-K52 VanDerWaalsContact O-CB 3.22Å; D48-K52 WeakPolarHBondContact O-CB 3.38Å; D48-K52 PolarHBondContact O-N 2.77Å
49	L	93.9	Very high	88.5	Confident	0 Å²	0	65 Å²	65	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-57.7	-45.3	175.5	-85.8	63.7	0	0	0	110.9	W8 L16 W28 I31 Q32 L41 R44 S45 I47 W53	W8-L49 HydrophobicContact CH2-CD1 4.14Å; W8-L49 HydrophobicContact CH2-CG 4.35Å; L16-L49 HydrophobicContact CD1-CB 4.07Å; L16-L49 HydrophobicContact CD1-CD2 4.32Å; L16-L49 HydrophobicContact CD1-CG 3.96Å; W28-L49 HydrophobicContact CE3-CB 4.11Å; I31-L49 HydrophobicContact CB-CD2 4.45Å; I31-L49 HydrophobicContact CG2-CD2 4.08Å; Q32-L49 HydrophobicContact CB-CD2 4.14Å; L41-L49 HydrophobicContact CD1-CD2 4.03Å; R44-L49 HydrophobicContact CB-CD1 3.45Å; R44-L49 VanDerWaalsContact CB-CD1 3.45Å; R44-L49 HydrophobicContact CG-CD1 4.44Å; S45-L49 WeakPolarHBondContact O-CD1 3.45Å; S45-L49 PolarHBondContact O-N 2.88Å; I47-L49 VanDerWaalsContact C-N 3.34Å; L49-W53 VanDerWaalsContact O-CB 3.27Å; L49-W53 WeakPolarHBondContact O-CB 2.99Å; L49-W53 PolarHBondContact O-N 2.76Å
50	K	93.9	Very high	86.9	Confident	121 Å²	121	64.2 Å²	64.2	53%	0.526	35%	0.349	S	S	.	.	H	α-helix	trans	-60.9	-50.7	177.4	-172.7	-176.7	86.1	175.3	0	111.7	W28 N46 I47 D48 W53 R54	W28-K50 HydrophobicContact CD2-CB 4.15Å; W28-K50 HydrophobicContact CG-CB 4.17Å; W28-K50 HydrophobicContact CZ2-CB 4.47Å; W28-K50 HydrophobicContact CZ2-CG 4.23Å; N46-K50 PolarHBondContact O-N 3.33Å; I47-K50 WeakPolarHBondContact O-CB 3.49Å; I47-K50 PolarHBondContact O-N 3.34Å; D48-K50 VanDerWaalsContact C-N 3.31Å; D48-K50 PolarHBondContact O-N 3.31Å; K50-W53 PolarHBondContact O-N 3.17Å; K50-R54 PolarHBondContact O-N 3.35Å
51	D	93	Very high	84.9	Confident	74 Å²	74	66.9 Å²	66.9	40%	0.396	37%	0.369	S	S	.	.	H	α-helix	trans	-68.7	-38.1	-176.9	-170.1	60.6	0	0	0	111.7	I47 D48 R54 N55	I47-D51 PolarHBondContact O-N 3.1Å; D48-D51 PolarHBondContact O-N 2.8Å; D51-R54 WeakPolarHBondContact O-CB 3.35Å; D51-R54 PolarHBondContact O-N 3.38Å; D51-R54 IonicContact OD1-CZ 2.75Å; D51-R54 IonicContact OD1-NE 2.91Å; D51-R54 PolarHBondContact OD1-NE 3.48Å; D51-R54 IonicContact OD1-NH2 2.77Å; D51-R54 PolarHBondContact OD1-NH2 2.84Å; D51-N55 PolarHBondContact O-N 2.9Å; D51-N55 PolarHBondContact O-ND2 3.35Å
52	K	92.8	Very high	82.8	Confident	34 Å²	34	70.4 Å²	70.4	15%	0.148	41%	0.405	C	S	.	.	H	α-helix	trans	-63.4	-45.5	173.6	-177.9	65.3	168.3	-166.7	0	112	W8 E13 L16 D48 R54 N55 L56	W8-K52 HydrophobicContact CB-CD 4.4Å; W8-K52 HydrophobicContact CD2-CB 4.09Å; W8-K52 HydrophobicContact CD2-CD 3.54Å; W8-K52 VanDerWaalsContact CD2-CE 3.49Å; W8-K52 HydrophobicContact CD2-CG 3.48Å; W8-K52 VanDerWaalsContact CD2-CG 3.48Å; W8-K52 VanDerWaalsContact CE2-CB 3.42Å; W8-K52 HydrophobicContact CE3-CB 4.46Å; W8-K52 HydrophobicContact CE3-CD 4.13Å; W8-K52 HydrophobicContact CE3-CG 3.69Å; W8-K52 HydrophobicContact CG-CD 3.62Å; W8-K52 HydrophobicContact CG-CG 4.14Å; W8-K52 VanDerWaalsContact CG-NZ 3.34Å; W8-K52 HydrophobicContact CH2-CB 3.68Å; W8-K52 HydrophobicContact CH2-CG 3.75Å; W8-K52 HydrophobicContact CZ2-CB 3.2Å; W8-K52 HydrophobicContact CZ2-CD 4.3Å; W8-K52 HydrophobicContact CZ2-CG 3.55Å; W8-K52 HydrophobicContact CZ3-CB 4.27Å; W8-K52 HydrophobicContact CZ3-CG 3.81Å; E13-K52 VanDerWaalsContact OE1-CE 3.26Å; E13-K52 WeakPolarHBondContact OE1-CE 3.33Å; E13-K52 IonicContact OE1-NZ 3.65Å; E13-K52 PolarHBondContact OE1-NZ 3.44Å; L16-K52 HydrophobicContact CD2-CB 3.84Å; L16-K52 HydrophobicContact CD2-CG 3.62Å; D48-K52 VanDerWaalsContact O-CB 3.22Å; D48-K52 WeakPolarHBondContact O-CB 3.38Å; D48-K52 PolarHBondContact O-N 2.77Å; K52-R54 VanDerWaalsContact C-N 3.26Å; K52-R54 PolarHBondContact O-N 3.03Å; K52-N55 PolarHBondContact O-N 3.2Å; K52-N55 VanDerWaalsContact O-N 3.11Å; K52-L56 HydrophobicContact CD-CD1 4.34Å; K52-L56 HydrophobicContact CD-CG 4.45Å; K52-L56 HydrophobicContact CG-CD1 3.83Å; K52-L56 HydrophobicContact CG-CG 4.36Å; K52-L56 WeakPolarHBondContact O-CG 3.36Å; K52-L56 PolarHBondContact O-N 2.73Å
53	W	93.8	Very high	81.1	Confident	58 Å²	58	75.3 Å²	75.3	22%	0.22	43%	0.425	C	S	.	.	H	α-helix	trans	-59	-42.4	177.7	-179.3	-102.6	0	0	0	111.1	L16 R17 V20 W28 L49 K50 N55 L56 S57	L16-W53 HydrophobicContact CD2-CB 4.35Å; L16-W53 HydrophobicContact CG-CE3 4.23Å; R17-W53 HydrophobicContact CG-CZ3 4.2Å; V20-W53 HydrophobicContact CB-CD2 4.34Å; V20-W53 HydrophobicContact CB-CE3 4.04Å; V20-W53 HydrophobicContact CB-CH2 3.73Å; V20-W53 HydrophobicContact CB-CZ2 4.08Å; V20-W53 HydrophobicContact CB-CZ3 3.71Å; V20-W53 HydrophobicContact CG1-CD2 4.17Å; V20-W53 HydrophobicContact CG1-CE3 4.27Å; V20-W53 HydrophobicContact CG1-CH2 3.41Å; V20-W53 VanDerWaalsContact CG1-CH2 3.41Å; V20-W53 HydrophobicContact CG1-CZ2 3.31Å; V20-W53 HydrophobicContact CG1-CZ3 3.91Å; V20-W53 HydrophobicContact CG2-CD2 3.79Å; V20-W53 HydrophobicContact CG2-CE3 3.62Å; V20-W53 HydrophobicContact CG2-CG 4.4Å; V20-W53 HydrophobicContact CG2-CH2 4.22Å; V20-W53 HydrophobicContact CG2-CZ2 4.4Å; V20-W53 HydrophobicContact CG2-CZ3 3.84Å; W28-W53 HydrophobicContact CH2-CB 3.5Å; W28-W53 VanDerWaalsContact CH2-CB 3.5Å; W28-W53 AromaticContact CH2-CD1 3.43Å; W28-W53 VanDerWaalsContact CH2-CD1 3.43Å; W28-W53 HydrophobicContact CH2-CD2 4.22Å; W28-W53 AromaticContact CH2-CG 3.39Å; W28-W53 HydrophobicContact CH2-CG 3.39Å; W28-W53 HydrophobicContact CZ2-CB 4.31Å; W28-W53 HydrophobicContact CZ2-CG 4.33Å; W28-W53 HydrophobicContact CZ3-CB 3.79Å; W28-W53 AromaticContact CZ3-CG 3.95Å; W28-W53 HydrophobicContact CZ3-CG 3.95Å; L49-W53 VanDerWaalsContact O-CB 3.27Å; L49-W53 WeakPolarHBondContact O-CB 2.99Å; L49-W53 PolarHBondContact O-N 2.76Å; K50-W53 PolarHBondContact O-N 3.17Å; W53-N55 VanDerWaalsContact C-N 3.29Å; W53-N55 PolarHBondContact O-N 3.36Å; W53-L56 CarbonylContact O-C 3.6Å; W53-L56 PolarHBondContact O-N 3.32Å; W53-L56 VanDerWaalsContact O-N 3.09Å; W53-S57 WeakPolarHBondContact O-CB 3.43Å; W53-S57 PolarHBondContact O-N 2.79Å; W53-S57 PolarHBondContact O-OG 2.85Å; W53-S57 VanDerWaalsContact O-OG 3.11Å
54	R	91.6	Very high	79	Confident	140 Å²	140	73.4 Å²	73.4	53%	0.528	42%	0.419	S	S	.	.	H	α-helix	trans	-55.1	-45.8	175.3	-175.5	176.8	67.9	131.2	-0.1	111.7	K50 D51 K52 S57 F58	K50-R54 PolarHBondContact O-N 3.35Å; D51-R54 WeakPolarHBondContact O-CB 3.35Å; D51-R54 PolarHBondContact O-N 3.38Å; D51-R54 IonicContact OD1-CZ 2.75Å; D51-R54 IonicContact OD1-NE 2.91Å; D51-R54 PolarHBondContact OD1-NE 3.48Å; D51-R54 IonicContact OD1-NH2 2.77Å; D51-R54 PolarHBondContact OD1-NH2 2.84Å; K52-R54 VanDerWaalsContact C-N 3.26Å; K52-R54 PolarHBondContact O-N 3.03Å; R54-S57 PolarHBondContact O-OG 3.23Å; R54-S57 VanDerWaalsContact O-OG 3.14Å; R54-F58 HydrophobicContact CG-CD2 4.21Å; R54-F58 HydrophobicContact CG-CE2 3.6Å; R54-F58 WeakPolarHBondContact O-CD2 3.49Å; R54-F58 PolarHBondContact O-N 3.14Å
55	N	90.5	Very high	76.6	Confident	95 Å²	95	78.1 Å²	78.1	51%	0.508	45%	0.454	S	S	.	.	H	α-helix	trans	-66.3	-38.3	176.6	-69.2	-67.6	0	0	0	112.7	D51 K52 W53	D51-N55 PolarHBondContact O-N 2.9Å; D51-N55 PolarHBondContact O-ND2 3.35Å; K52-N55 PolarHBondContact O-N 3.2Å; K52-N55 VanDerWaalsContact O-N 3.11Å; W53-N55 VanDerWaalsContact C-N 3.29Å; W53-N55 PolarHBondContact O-N 3.36Å
56	L	87.2	Confident	74.3	Confident	34 Å²	34	80.5 Å²	80.5	18%	0.178	47%	0.471	C	S	.	.	H	α-helix	trans	-71.2	-41.4	178.9	-74.3	168.1	0	0	0	112.8	L16 K52 W53 F58 S59 A60	L16-L56 HydrophobicContact CD2-CD1 3.94Å; K52-L56 HydrophobicContact CD-CD1 4.34Å; K52-L56 HydrophobicContact CD-CG 4.45Å; K52-L56 HydrophobicContact CG-CD1 3.83Å; K52-L56 HydrophobicContact CG-CG 4.36Å; K52-L56 WeakPolarHBondContact O-CG 3.36Å; K52-L56 PolarHBondContact O-N 2.73Å; W53-L56 CarbonylContact O-C 3.6Å; W53-L56 PolarHBondContact O-N 3.32Å; W53-L56 VanDerWaalsContact O-N 3.09Å; L56-F58 VanDerWaalsContact C-N 3.32Å; L56-F58 PolarHBondContact O-N 2.81Å; L56-S59 WeakPolarHBondContact O-CB 3.41Å; L56-S59 PolarHBondContact O-N 3.43Å; L56-A60 PolarHBondContact O-N 3.4Å; L56-A60 VanDerWaalsContact O-N 3.16Å
57	S	82.5	Confident	72.1	Confident	34 Å²	34	86.9 Å²	86.9	24%	0.238	50%	0.496	C	S	.	.	H	α-helix	trans	-66.6	-33.6	-176.5	62.2	0	0	0	0	112	W53 R54 S59 A60 S61	W53-S57 WeakPolarHBondContact O-CB 3.43Å; W53-S57 PolarHBondContact O-N 2.79Å; W53-S57 PolarHBondContact O-OG 2.85Å; W53-S57 VanDerWaalsContact O-OG 3.11Å; R54-S57 PolarHBondContact O-OG 3.23Å; R54-S57 VanDerWaalsContact O-OG 3.14Å; S57-S59 VanDerWaalsContact C-N 3.28Å; S57-S59 PolarHBondContact O-N 3.5Å; S57-A60 PolarHBondContact O-N 2.95Å; S57-S61 PolarHBondContact O-N 3.47Å; S57-S61 PolarHBondContact O-OG 2.87Å
58	F	67.4	Low	70.1	Confident	136 Å²	136	89.3 Å²	89.3	60%	0.596	51%	0.509	S	S	*	.	H	α-helix	trans	-67.7	-27.9	172.5	-72.4	-59.6	0	0	0	113.2	R54 L56	R54-F58 HydrophobicContact CG-CD2 4.21Å; R54-F58 HydrophobicContact CG-CE2 3.6Å; R54-F58 WeakPolarHBondContact O-CD2 3.49Å; R54-F58 PolarHBondContact O-N 3.14Å; L56-F58 VanDerWaalsContact C-N 3.32Å; L56-F58 PolarHBondContact O-N 2.81Å
59	S	60.8	Low	67.8	Low	73 Å²	73	96.6 Å²	96.6	51%	0.51	53%	0.532	S	S	.	.	H	α-helix	trans	-77.3	-27.7	175.7	-164.3	0	0	0	0	112.4	L56 S57	L56-S59 WeakPolarHBondContact O-CB 3.41Å; L56-S59 PolarHBondContact O-N 3.43Å; S57-S59 VanDerWaalsContact C-N 3.28Å; S57-S59 PolarHBondContact O-N 3.5Å
60	A	58.7	Low	65.4	Low	89 Å²	89	102.6 Å²	102.6	74%	0.736	57%	0.568	S	S	*	*	H	α-helix	trans	-76.2	-27.3	176.8	0	0	0	0	0	112.8	L56 S57 G62	L56-A60 PolarHBondContact O-N 3.4Å; L56-A60 VanDerWaalsContact O-N 3.16Å; S57-A60 PolarHBondContact O-N 2.95Å; A60-G62 VanDerWaalsContact C-N 3.25Å; A60-G62 PolarHBondContact O-N 2.76Å
61	S	50	Low	63.3	Low	84 Å²	84	102 Å²	102	59%	0.587	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.9	22.4	-178.1	-57.2	0	0	0	0	115.6	S57 L63	S57-S61 PolarHBondContact O-N 3.47Å; S57-S61 PolarHBondContact O-OG 2.87Å; S61-L63 PolarHBondContact O-N 3.47Å
62	G	48.3	Very low	60.6	Low	73 Å²	73	107 Å²	107	75%	0.753	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	65.9	5.2	164.6	0	0	0	0	0	118	A60	A60-G62 VanDerWaalsContact C-N 3.25Å; A60-G62 PolarHBondContact O-N 2.76Å
63	L	52.3	Low	58.8	Low	173 Å²	173	113.3 Å²	113.3	91%	0.906	63%	0.629	S	S	*	*			trans	-120.3	5.7	-176.5	-81.1	145.4	0	0	0	114	S61	S61-L63 PolarHBondContact O-N 3.47Å
64	G	42.8	Very low	56.4	Low	43 Å²	43	116 Å²	116	44%	0.443	65%	0.651	S	S	.	*	S	Bend	trans	-106.4	101.5	-176.5	0	0	0	0	0	113.6	S66	G64-S66 PolarHBondContact O-N 2.94Å
65	S	40.1	Very low	53.8	Low	114 Å²	114	112.9 Å²	112.9	80%	0.797	66%	0.663	S	S	*	*			trans	-29.4	93.7	168.7	-168.3	0	0	0	0	115.5	K67	S65-K67 VanDerWaalsContact C-N 3.34Å; S65-K67 PolarHBondContact O-N 3.47Å
66	S	42.3	Very low	51.6	Low	91 Å²	91	114.5 Å²	114.5	64%	0.636	68%	0.679	S	S	*	*			trans	-86.2	85.1	157	-77.4	0	0	0	0	108.2	G64 L68	G64-S66 PolarHBondContact O-N 2.94Å; S66-L68 PolarHBondContact O-N 2.89Å
67	K	47.5	Very low	49.4	Very low	182 Å²	182	118 Å²	118	79%	0.791	71%	0.706	S	S	*	*			trans	-63.1	84.8	161.8	-160.3	169	-164.9	165.6	0	106.8	S65 R69	S65-K67 VanDerWaalsContact C-N 3.34Å; S65-K67 PolarHBondContact O-N 3.47Å; K67-R69 PolarHBondContact O-N 3.48Å
68	L	50.4	Low	47.7	Very low	158 Å²	158	121.1 Å²	121.1	83%	0.827	73%	0.728	S	S	*	*			trans	-62.4	92.2	164.8	-69.9	179.8	0	0	0	106.9	S66 V70	S66-L68 PolarHBondContact O-N 2.89Å; L68-V70 PolarHBondContact O-N 2.93Å; L68-V70 VanDerWaalsContact O-N 3.12Å
69	R	43.7	Very low	46.8	Very low	223 Å²	223	120 Å²	120	84%	0.842	74%	0.737	S	S	*	*			trans	-58.9	108.2	157.4	-81.7	-179.8	-171.2	165.4	3.1	106.4	K67 P71	K67-R69 PolarHBondContact O-N 3.48Å; R69-P71 VanDerWaalsContact O-CD 3.28Å; R69-P71 WeakPolarHBondContact O-CD 3.27Å
70	V	43.8	Very low	46.2	Very low	126 Å²	126	122.3 Å²	122.3	76%	0.764	75%	0.75	S	S	*	*			trans	-61.4	120.5	159	174.5	0	0	0	0	107.4	L68 K72	L68-V70 PolarHBondContact O-N 2.93Å; L68-V70 VanDerWaalsContact O-N 3.12Å; V70-K72 PolarHBondContact O-N 3.25Å
71	P	49.8	Very low	45.5	Very low	109 Å²	109	124 Å²	124	71%	0.708	76%	0.757	S	S	*	*			trans	-69.9	110.4	166.1	-14	30.4	0	0	0	108.4	R69 I73	R69-P71 VanDerWaalsContact O-CD 3.28Å; R69-P71 WeakPolarHBondContact O-CD 3.27Å; P71-I73 PolarHBondContact O-N 2.94Å
72	K	35.8	Very low	45.5	Very low	178 Å²	178	125.6 Å²	125.6	77%	0.774	77%	0.767	S	S	*	*			trans	-67.3	104.8	167	177.4	124.5	175.4	169.7	0	108	V70 T74	V70-K72 PolarHBondContact O-N 3.25Å; K72-T74 HydrophobicContact CD-CG2 4.43Å; K72-T74 HydrophobicContact CG-CG2 4.06Å
73	I	54.6	Low	45.8	Very low	167 Å²	167	127.2 Å²	127.2	86%	0.856	77%	0.767	S	S	*	*			trans	-100.8	101.9	166.3	-21.7	177.1	0	0	0	107.1	P71	P71-I73 PolarHBondContact O-N 2.94Å
74	T	44.6	Very low	45.5	Very low	114 Å²	114	123.6 Å²	123.6	70%	0.699	76%	0.756	S	S	*	*			trans	-98.9	126.5	168.1	36	0	0	0	0	108.3	K72	K72-T74 HydrophobicContact CD-CG2 4.43Å; K72-T74 HydrophobicContact CG-CG2 4.06Å
75	G	37.7	Very low	46.3	Very low	74 Å²	74	129.8 Å²	129.8	76%	0.763	77%	0.774	S	S	*	*			trans	150.3	106.5	166.2	0	0	0	0	0	113.7
76	P	43.1	Very low	46.5	Very low	130 Å²	130	129.1 Å²	129.1	84%	0.844	77%	0.767	S	S	*	*			trans	-93.2	144.5	-178.8	36.2	-29	0	0	0	111.1
77	S	41.2	Very low	46.7	Very low	108 Å²	108	132.1 Å²	132.1	76%	0.755	78%	0.775	S	S	*	*			trans	-179.3	128.5	148.2	-164.5	0	0	0	0	111.3
78	S	46.3	Very low	46.5	Very low	99 Å²	99	130.8 Å²	130.8	69%	0.692	78%	0.776	S	S	*	*			trans	47.7	134.6	140.8	62.6	0	0	0	0	119.8
79	S	48.9	Very low	46.2	Very low	113 Å²	113	130.8 Å²	130.8	79%	0.79	78%	0.776	S	S	*	*			cis	176.7	164.4	4.5	32.8	0	0	0	0	106.2
80	P	48.2	Very low	46.4	Very low	120 Å²	120	125.4 Å²	125.4	78%	0.779	77%	0.77	S	S	*	*			trans	-110.7	160.3	-151.1	39.8	-31.2	0	0	0	115.6
81	S	44.9	Very low	46.3	Very low	126 Å²	126	124.1 Å²	124.1	88%	0.881	77%	0.772	S	S	*	*			trans	169	143.2	159.4	54.5	0	0	0	0	108.4
82	S	50	Low	46.1	Very low	116 Å²	116	122.9 Å²	122.9	81%	0.811	77%	0.771	S	S	*	*			cis	-172.4	162.7	6.1	-166.3	0	0	0	0	108.4
83	S	52.9	Low	46.5	Very low	108 Å²	108	122.3 Å²	122.3	76%	0.755	78%	0.777	S	S	*	*			trans	82.6	126.2	157	-148.2	0	0	0	0	117
84	S	47.9	Very low	45.8	Very low	96 Å²	96	123.5 Å²	123.5	67%	0.671	78%	0.775	S	S	*	*			cis	-171.6	123.6	10.1	-95.7	0	0	0	0	107.6
85	Q	58	Low	45.5	Very low	174 Å²	174	127.6 Å²	127.6	81%	0.813	78%	0.784	S	S	*	*				91.4	150.2	100	-74.7	-90.1	-16.7	0	0	113.9
86	P	46	Very low	45.7	Very low	100 Å²	100	129.4 Å²	129.4	65%	0.649	78%	0.78	S	S	*	*				-129.7	-172.2	-108.5	33.3	-11.5	0	0	0	113.3
87	L	44.7	Very low	45.3	Very low	153 Å²	153	132.3 Å²	132.3	80%	0.801	78%	0.783	S	S	*	*			trans	177.4	114.1	138.6	-88.9	165	0	0	0	112.4
88	L	43.9	Very low	45.2	Very low	155 Å²	155	131.4 Å²	131.4	81%	0.812	78%	0.782	S	S	*	*			trans	80.6	127.4	140.3	-53.5	174.4	0	0	0	123.6
89	L	44.3	Very low	44.8	Very low	158 Å²	158	132.8 Å²	132.8	83%	0.827	79%	0.786	S	S	*	*			trans	-91.6	-167.5	-169.5	-84.5	94.4	0	0	0	114.1
90	P	48.9	Very low	44.4	Very low	110 Å²	110	135.2 Å²	135.2	71%	0.714	79%	0.789	S	S	*	*			cis	-140.6	-178.5	-33.2	30.5	-9.5	0	0	0	116.4
91	A	41.1	Very low	44.3	Very low	99 Å²	99	135.1 Å²	135.1	82%	0.818	79%	0.788	S	S	*	*			trans	81.7	145.6	142.4	0	0	0	0	0	119.2
92	A	45.4	Very low	44	Very low	83 Å²	83	133.8 Å²	133.8	69%	0.686	79%	0.785	S	S	*	*			cis	-170.6	143.9	-13.7	0	0	0	0	0	108
93	N	45	Very low	43.6	Very low	166 Å²	166	135.7 Å²	135.7	89%	0.888	79%	0.786	S	S	*	*			trans	148.3	129.2	134.4	-80.5	-1.3	0	0	0	114.6
94	K	37.9	Very low	43	Very low	191 Å²	191	134.2 Å²	134.2	83%	0.83	78%	0.781	S	S	*	*			trans	-94.6	151.1	177.9	-63.1	173.4	174.4	-179.5	0	110.5
95	F	39.8	Very low	42.8	Very low	200 Å²	200	137.2 Å²	137.2	88%	0.877	78%	0.784	S	S	*	*			trans	-164.7	99.8	150.9	-107.3	-84.5	0	0	0	106.2
96	T	40.7	Very low	41.9	Very low	112 Å²	112	137 Å²	137	69%	0.687	78%	0.781	S	S	*	*				35.7	102.4	81.2	54.7	0	0	0	0	114.4
97	E	34.3	Very low	41.5	Very low	192 Å²	192	141.5 Å²	141.5	90%	0.897	79%	0.79	S	S	*	*				80.9	114	89.9	-174.2	172.4	122.4	0	0	113.7
98	A	41	Very low	41.3	Very low	89 Å²	89	138.5 Å²	138.5	74%	0.736	78%	0.78	S	S	*	*			trans	168.9	149.2	152.4	0	0	0	0	0	107.8
99	T	37.6	Very low	41	Very low	128 Å²	128	139.6 Å²	139.6	79%	0.785	78%	0.781	S	S	*	*			cis	-179.9	134.7	-10.4	-85.8	0	0	0	0	103.8
100	L	40.6	Very low	40.7	Very low	164 Å²	164	137.3 Å²	137.3	86%	0.859	77%	0.769	S	S	*	*			trans	-76.9	155.4	171.4	-70.5	165.7	0	0	0	111.4
101	P	44.9	Very low	40	Very low	117 Å²	117	136.3 Å²	136.3	76%	0.76	78%	0.779	S	S	*	*				-136.7	131.1	124.5	33.2	-18.9	0	0	0	110.5
102	A	39.5	Very low	40.1	Very low	99 Å²	99	138.5 Å²	138.5	82%	0.818	77%	0.77	S	S	*	*				66.3	88	65.1	0	0	0	0	0	114.1
103	D	41.1	Very low	39.9	Very low	155 Å²	155	140.8 Å²	140.8	83%	0.829	78%	0.776	S	S	*	*			trans	-157.4	98.8	151.8	-151.4	-108	0	0	0	106.6
104	A	41.4	Very low	40.1	Very low	78 Å²	78	140.8 Å²	140.8	65%	0.645	78%	0.775	S	S	*	*				66	107.9	89	0	0	0	0	0	113.6
105	E	42	Very low	41.1	Very low	158 Å²	158	133.6 Å²	133.6	74%	0.738	75%	0.748	S	S	*	*			trans	174.8	110.4	133.6	-80.5	-116.8	99.3	0	0	112.2
106	K	39.6	Very low	42.9	Very low	170 Å²	170	132.3 Å²	132.3	74%	0.739	74%	0.742	S	S	*	*			trans	41.7	111.1	143.6	-67.3	165.4	-173.7	138	0	120.4
107	K	37.3	Very low	45	Very low	195 Å²	195	131.4 Å²	131.4	85%	0.848	73%	0.727	S	S	*	*				82.5	141.1	85.8	-167.1	-176.3	-175.9	-179.1	0	113.9
108	P	39.9	Very low	47.5	Very low	90 Å²	90	123 Å²	123	58%	0.584	69%	0.691	S	S	*	*			cis	-134.7	-172.7	-33.7	41.1	-23.3	0	0	0	113
109	Q	38.7	Very low	49.6	Very low	177 Å²	177	121.2 Å²	121.2	83%	0.827	68%	0.676	S	S	*	*			trans	94.7	115.3	147.9	-76.2	172.3	-50.7	0	0	121
110	D	38.7	Very low	52	Low	110 Å²	110	115.8 Å²	115.8	59%	0.588	64%	0.643	S	S	*	*			trans	79.3	82.9	146.1	-115.1	-54.4	0	0	0	118.6	K112	D110-K112 HydrophobicContact CB-CD 4.27Å; D110-K112 PolarHBondContact O-N 3.46Å; D110-K112 VanDerWaalsContact OD1-CD 3.25Å; D110-K112 WeakPolarHBondContact OD1-CD 3.2Å; D110-K112 WeakPolarHBondContact OD1-CE 3.33Å; D110-K112 IonicContact OD1-NZ 2.69Å; D110-K112 PolarHBondContact OD1-NZ 2.89Å; D110-K112 IonicContact OD2-NZ 2.83Å; D110-K112 PolarHBondContact OD2-NZ 3.08Å
111	G	32.8	Very low	54.3	Low	90 Å²	90	108 Å²	108	93%	0.928	60%	0.602	S	S	*	*			trans	-67.4	75.8	165.8	0	0	0	0	0	112.3
112	K	43.2	Very low	56.3	Low	144 Å²	144	103.7 Å²	103.7	63%	0.626	57%	0.572	S	S	*	*			trans	-95.2	114.2	161.4	-82.1	126.3	-179.8	166.1	0	108.2	D110 L114	D110-K112 HydrophobicContact CB-CD 4.27Å; D110-K112 PolarHBondContact O-N 3.46Å; D110-K112 VanDerWaalsContact OD1-CD 3.25Å; D110-K112 WeakPolarHBondContact OD1-CD 3.2Å; D110-K112 WeakPolarHBondContact OD1-CE 3.33Å; D110-K112 IonicContact OD1-NZ 2.69Å; D110-K112 PolarHBondContact OD1-NZ 2.89Å; D110-K112 IonicContact OD2-NZ 2.83Å; D110-K112 PolarHBondContact OD2-NZ 3.08Å; K112-L114 PolarHBondContact O-N 2.67Å
113	T	42	Very low	58.5	Low	132 Å²	132	102.5 Å²	102.5	81%	0.81	55%	0.549	S	S	*	.			trans	-26.7	120.9	167.9	51.6	0	0	0	0	111.8	P115	T113-P115 WeakPolarHBondContact O-CD 3.29Å
114	L	49.6	Very low	60.8	Low	165 Å²	165	95.1 Å²	95.1	86%	0.864	51%	0.51	S	S	*	.			trans	-34.8	112.9	-178.5	-122.4	72.6	0	0	0	110.4	K112 K116	K112-L114 PolarHBondContact O-N 2.67Å; L114-K116 PolarHBondContact O-N 3.05Å; L114-K116 VanDerWaalsContact O-N 3.07Å
115	P	58.9	Low	63.1	Low	40 Å²	40	91.8 Å²	91.8	26%	0.26	48%	0.481	S	S	.	.			trans	-55.8	121.6	-174.6	-26.4	33.6	0	0	0	109.2	T113 Y117 A119 M120 Y147	T113-P115 WeakPolarHBondContact O-CD 3.29Å; P115-Y117 PolarHBondContact O-N 2.95Å; P115-A119 HydrophobicContact CB-CB 3.9Å; P115-M120 HydrophobicContact CB-CG 4.03Å; P115-M120 WeakPolarHBondContact O-CE 3.38Å; P115-Y147 HydrophobicContact CG-CE1 4.07Å
116	K	77.3	Confident	65.2	Low	174 Å²	174	89.1 Å²	89.1	76%	0.757	47%	0.471	S	S	*	.			trans	-54.6	141.2	174.1	-162	151.9	-172.9	158.2	0	107.6	L114 G118 A119	L114-K116 PolarHBondContact O-N 3.05Å; L114-K116 VanDerWaalsContact O-N 3.07Å; K116-G118 CarbonylContact O-C 3.57Å; K116-G118 PolarHBondContact O-N 2.85Å; K116-A119 WeakPolarHBondContact O-CB 3.27Å; K116-A119 PolarHBondContact O-N 2.9Å
117	Y	85.1	Confident	67.4	Low	93 Å²	93	86.6 Å²	86.6	37%	0.365	46%	0.462	S	S	.	.	H	α-helix	trans	-41.9	-33.3	-174.5	-66.4	-60.2	0	0	0	116.2	P115 A119 M120 I121 V149 F153	P115-Y117 PolarHBondContact O-N 2.95Å; Y117-A119 VanDerWaalsContact C-N 3.34Å; Y117-A119 PolarHBondContact O-N 3.33Å; Y117-M120 HydrophobicContact CD1-CE 3.53Å; Y117-M120 HydrophobicContact CE1-CE 3.91Å; Y117-M120 HydrophobicContact CG-CE 4.4Å; Y117-I121 WeakPolarHBondContact O-CD1 3.44Å; Y117-I121 VanDerWaalsContact O-CG1 3.23Å; Y117-I121 WeakPolarHBondContact O-CG1 3.39Å; Y117-I121 PolarHBondContact O-N 2.84Å; Y117-V149 HydrophobicContact CE1-CG1 4.38Å; Y117-F153 AromaticContact CD1-CD2 3.29Å; Y117-F153 HydrophobicContact CD1-CD2 3.29Å; Y117-F153 AromaticContact CD1-CE2 3.16Å; Y117-F153 HydrophobicContact CD1-CE2 3.16Å; Y117-F153 HydrophobicContact CD1-CG 4.23Å; Y117-F153 AromaticContact CD1-CZ 3.99Å; Y117-F153 HydrophobicContact CD1-CZ 3.99Å; Y117-F153 HydrophobicContact CE1-CB 4.44Å; Y117-F153 AromaticContact CE1-CD2 3.37Å; Y117-F153 HydrophobicContact CE1-CD2 3.37Å; Y117-F153 AromaticContact CE1-CE2 3.79Å; Y117-F153 HydrophobicContact CE1-CE2 3.79Å; Y117-F153 HydrophobicContact CE1-CG 4.02Å; Y117-F153 AromaticContact CG-CD2 3.92Å; Y117-F153 HydrophobicContact CG-CD2 3.92Å; Y117-F153 AromaticContact CG-CE2 3.63Å; Y117-F153 HydrophobicContact CG-CE2 3.63Å
118	G	85.3	Confident	69.6	Low	15 Å²	15	79.2 Å²	79.2	16%	0.155	43%	0.432	C	S	.	.	H	α-helix	trans	-61.2	-37.1	174.4	0	0	0	0	0	114.2	K116 M122	K116-G118 CarbonylContact O-C 3.57Å; K116-G118 PolarHBondContact O-N 2.85Å; G118-M122 VanDerWaalsContact O-CG 3.23Å; G118-M122 WeakPolarHBondContact O-CG 3.38Å; G118-M122 PolarHBondContact O-N 3.1Å
119	A	86.9	Confident	71.4	Confident	51 Å²	51	81.5 Å²	81.5	42%	0.421	44%	0.439	S	S	.	.	H	α-helix	trans	-70.1	-45.1	177.6	0	0	0	0	0	112	P115 K116 Y117 I121 M122 E123	P115-A119 HydrophobicContact CB-CB 3.9Å; K116-A119 WeakPolarHBondContact O-CB 3.27Å; K116-A119 PolarHBondContact O-N 2.9Å; Y117-A119 VanDerWaalsContact C-N 3.34Å; Y117-A119 PolarHBondContact O-N 3.33Å; A119-I121 PolarHBondContact O-N 3.39Å; A119-M122 PolarHBondContact O-N 3.38Å; A119-M122 VanDerWaalsContact O-N 3.11Å; A119-E123 PolarHBondContact O-N 2.84Å
120	M	86.7	Confident	73.2	Confident	15 Å²	15	78.3 Å²	78.3	7%	0.074	42%	0.424	C	S	.	.	H	α-helix	trans	-56.8	-39.8	175	-62.8	-173.3	-122.3	0	0	111.8	P115 Y117 E123 A124 I143 Y147 V149	P115-M120 HydrophobicContact CB-CG 4.03Å; P115-M120 WeakPolarHBondContact O-CE 3.38Å; Y117-M120 HydrophobicContact CD1-CE 3.53Å; Y117-M120 HydrophobicContact CE1-CE 3.91Å; Y117-M120 HydrophobicContact CG-CE 4.4Å; M120-E123 PolarHBondContact O-N 2.94Å; M120-A124 VanDerWaalsContact O-CB 3.29Å; M120-A124 WeakPolarHBondContact O-CB 3.44Å; M120-A124 PolarHBondContact O-N 2.65Å; M120-I143 HydrophobicContact CB-CD1 4.3Å; M120-I143 HydrophobicContact CB-CG1 4.33Å; M120-I143 HydrophobicContact CB-CG2 4.18Å; M120-I143 HydrophobicContact SD-CG2 3.77Å; M120-Y147 HydrophobicContact CB-CD2 4.11Å; M120-Y147 HydrophobicContact CB-CE2 4.08Å; M120-Y147 HydrophobicContact CG-CD1 4.24Å; M120-Y147 HydrophobicContact CG-CD2 3.74Å; M120-Y147 HydrophobicContact CG-CE1 4.29Å; M120-Y147 HydrophobicContact CG-CE2 3.8Å; M120-Y147 HydrophobicContact CG-CG 3.97Å; M120-Y147 VanDerWaalsContact SD-CB 3.6Å; M120-Y147 HydrophobicContact SD-CD1 4Å; M120-Y147 HydrophobicContact SD-CD2 3.69Å; M120-Y147 HydrophobicContact SD-CE2 4.36Å; M120-Y147 HydrophobicContact SD-CG 3.47Å; M120-V149 HydrophobicContact CE-CG1 4.21Å; M120-V149 HydrophobicContact SD-CG1 3.85Å
121	I	89.7	Confident	74.7	Confident	0 Å²	0	78.5 Å²	78.5	0%	0	43%	0.432	C	S	.	.	H	α-helix	trans	-65.8	-42	177.5	-67.3	164.6	0	0	0	111.7	Y117 A119 E123 A124 L125 I143 F153 L157 K160 L161 L164	Y117-I121 WeakPolarHBondContact O-CD1 3.44Å; Y117-I121 VanDerWaalsContact O-CG1 3.23Å; Y117-I121 WeakPolarHBondContact O-CG1 3.39Å; Y117-I121 PolarHBondContact O-N 2.84Å; A119-I121 PolarHBondContact O-N 3.39Å; I121-E123 VanDerWaalsContact C-N 3.34Å; I121-A124 PolarHBondContact O-N 3.09Å; I121-L125 HydrophobicContact CG2-CD1 4.04Å; I121-L125 HydrophobicContact CG2-CG 4.5Å; I121-L125 WeakPolarHBondContact O-CB 3.23Å; I121-L125 VanDerWaalsContact O-CG 3.29Å; I121-L125 WeakPolarHBondContact O-CG 3.42Å; I121-L125 PolarHBondContact O-N 2.94Å; I121-I143 HydrophobicContact CB-CD1 4.47Å; I121-I143 HydrophobicContact CG1-CD1 3.77Å; I121-F153 HydrophobicContact CD1-CZ 4.44Å; I121-F153 HydrophobicContact CG1-CZ 4.34Å; I121-L157 HydrophobicContact CD1-CD1 3.49Å; I121-L157 VanDerWaalsContact CD1-CD1 3.49Å; I121-L157 HydrophobicContact CG1-CD1 3.66Å; I121-K160 HydrophobicContact CD1-CB 4.11Å; I121-K160 HydrophobicContact CD1-CG 3.67Å; I121-L161 HydrophobicContact CG2-CD2 3.5Å; I121-L164 HydrophobicContact CB-CD1 4.29Å; I121-L164 HydrophobicContact CD1-CD1 4.05Å; I121-L164 HydrophobicContact CG2-CD1 3.95Å
122	M	86.9	Confident	76.5	Confident	27 Å²	27	80.1 Å²	80.1	13%	0.133	42%	0.419	C	S	.	.	H	α-helix	trans	-65	-42.6	178.7	-62.1	-72.4	139.6	0	0	111	G118 A119 L125 L126 L164 K169 I170 L179	G118-M122 VanDerWaalsContact O-CG 3.23Å; G118-M122 WeakPolarHBondContact O-CG 3.38Å; G118-M122 PolarHBondContact O-N 3.1Å; A119-M122 PolarHBondContact O-N 3.38Å; A119-M122 VanDerWaalsContact O-N 3.11Å; M122-L125 PolarHBondContact O-N 2.79Å; M122-L126 WeakPolarHBondContact O-CB 3.21Å; M122-L126 VanDerWaalsContact O-CG 3.27Å; M122-L126 WeakPolarHBondContact O-CG 3.48Å; M122-L126 PolarHBondContact O-N 2.85Å; M122-L164 HydrophobicContact CE-CB 4.24Å; M122-L164 HydrophobicContact CE-CD1 3.58Å; M122-L164 HydrophobicContact CE-CD2 3.56Å; M122-L164 HydrophobicContact CE-CG 3.98Å; M122-K169 HydrophobicContact CE-CB 3.86Å; M122-K169 HydrophobicContact SD-CB 4.42Å; M122-I170 HydrophobicContact CE-CG2 3.48Å; M122-I170 VanDerWaalsContact CE-CG2 3.48Å; M122-I170 HydrophobicContact SD-CG2 3.9Å; M122-L179 HydrophobicContact SD-CD1 3.73Å
123	E	86.2	Confident	78.6	Confident	73 Å²	73	73.7 Å²	73.7	34%	0.341	39%	0.393	S	S	.	.	H	α-helix	trans	-64.8	-43.1	176.4	-173.1	-175.9	170.6	0	0	111.7	A119 M120 I121 L125 L126 E127 Y147	A119-E123 PolarHBondContact O-N 2.84Å; M120-E123 PolarHBondContact O-N 2.94Å; I121-E123 VanDerWaalsContact C-N 3.34Å; E123-L125 VanDerWaalsContact C-N 3.3Å; E123-L125 PolarHBondContact O-N 3.4Å; E123-L126 WeakPolarHBondContact O-CB 3.25Å; E123-L126 PolarHBondContact O-N 3.04Å; E123-E127 PolarHBondContact O-N 2.84Å; E123-Y147 VanDerWaalsContact CD-OH 3.3Å; E123-Y147 PolarHBondContact OE1-OH 2.94Å; E123-Y147 PolarHBondContact OE2-OH 3.25Å
124	A	89.8	Confident	80.7	Confident	0 Å²	0	67.6 Å²	67.6	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-59.1	-41.9	175	0	0	0	0	0	112.4	M120 I121 E127 L128 I139 F142 I143	M120-A124 VanDerWaalsContact O-CB 3.29Å; M120-A124 WeakPolarHBondContact O-CB 3.44Å; M120-A124 PolarHBondContact O-N 2.65Å; I121-A124 PolarHBondContact O-N 3.09Å; A124-E127 PolarHBondContact O-N 3.11Å; A124-L128 VanDerWaalsContact O-CB 3.29Å; A124-L128 WeakPolarHBondContact O-CB 3.37Å; A124-L128 WeakPolarHBondContact O-CD1 3.43Å; A124-L128 VanDerWaalsContact O-CG 3.26Å; A124-L128 WeakPolarHBondContact O-CG 3.49Å; A124-L128 PolarHBondContact O-N 3.11Å; A124-I139 HydrophobicContact CB-CG2 4.18Å; A124-F142 HydrophobicContact CB-CD1 3.44Å; A124-F142 VanDerWaalsContact CB-CD1 3.44Å; A124-F142 HydrophobicContact CB-CE1 4.01Å; A124-F142 HydrophobicContact CB-CG 4.24Å; A124-I143 HydrophobicContact CB-CD1 4.07Å; A124-I143 HydrophobicContact CB-CG1 3.7Å
125	L	88.3	Confident	82.6	Confident	8 Å²	8	63.3 Å²	63.3	4%	0.042	33%	0.334	C	S	.	.	H	α-helix	trans	-69.8	-33.6	177	-72.1	173.6	0	0	0	112.9	I121 M122 E123 N129 I139 I170 Y177	I121-L125 HydrophobicContact CG2-CD1 4.04Å; I121-L125 HydrophobicContact CG2-CG 4.5Å; I121-L125 WeakPolarHBondContact O-CB 3.23Å; I121-L125 VanDerWaalsContact O-CG 3.29Å; I121-L125 WeakPolarHBondContact O-CG 3.42Å; I121-L125 PolarHBondContact O-N 2.94Å; M122-L125 PolarHBondContact O-N 2.79Å; E123-L125 VanDerWaalsContact C-N 3.3Å; E123-L125 PolarHBondContact O-N 3.4Å; L125-N129 PolarHBondContact O-N 3.33Å; L125-I139 HydrophobicContact CD2-CD1 3.59Å; L125-I139 HydrophobicContact CD2-CG1 3.95Å; L125-I139 HydrophobicContact CG-CD1 4.39Å; L125-I170 HydrophobicContact CD1-CB 4.16Å; L125-I170 HydrophobicContact CD1-CD1 4.38Å; L125-I170 HydrophobicContact CD1-CG2 3.42Å; L125-I170 VanDerWaalsContact CD1-CG2 3.42Å; L125-Y177 WeakPolarHBondContact CD2-O 3.25Å
126	L	86	Confident	84	Confident	102 Å²	102	64.2 Å²	64.2	53%	0.534	34%	0.336	S	S	.	.	H	α-helix	trans	-67.2	-42.1	174.2	-78.1	167.8	0	0	0	111.5	M122 E123 L179	M122-L126 WeakPolarHBondContact O-CB 3.21Å; M122-L126 VanDerWaalsContact O-CG 3.27Å; M122-L126 WeakPolarHBondContact O-CG 3.48Å; M122-L126 PolarHBondContact O-N 2.85Å; E123-L126 WeakPolarHBondContact O-CB 3.25Å; E123-L126 PolarHBondContact O-N 3.04Å; L126-L179 HydrophobicContact CD2-CD2 3.34Å; L126-L179 HydrophobicContact CG-CD2 3.85Å
127	E	85.7	Confident	84.6	Confident	117 Å²	117	58.5 Å²	58.5	55%	0.547	32%	0.322	S	S	.	.	H	α-helix	trans	-76.8	-37.9	-177	-156.9	77.6	-177	0	0	112.3	E123 A124 N129 F142	E123-E127 PolarHBondContact O-N 2.84Å; A124-E127 PolarHBondContact O-N 3.11Å; E127-N129 VanDerWaalsContact C-N 3.34Å; E127-F142 HydrophobicContact CB-CE1 4.19Å; E127-F142 HydrophobicContact CB-CE2 3.76Å; E127-F142 HydrophobicContact CB-CZ 3.44Å; E127-F142 VanDerWaalsContact CB-CZ 3.44Å; E127-F142 HydrophobicContact CG-CE2 3.61Å; E127-F142 HydrophobicContact CG-CZ 3.54Å
128	L	83.7	Confident	84.8	Confident	41 Å²	41	55.9 Å²	55.9	22%	0.215	32%	0.319	C	S	.	.	H	α-helix	trans	-70.8	-29.7	-179.7	-73.5	166.7	0	0	0	112.2	A124 E130 S134 A138 I139 F142	A124-L128 VanDerWaalsContact O-CB 3.29Å; A124-L128 WeakPolarHBondContact O-CB 3.37Å; A124-L128 WeakPolarHBondContact O-CD1 3.43Å; A124-L128 VanDerWaalsContact O-CG 3.26Å; A124-L128 WeakPolarHBondContact O-CG 3.49Å; A124-L128 PolarHBondContact O-N 3.11Å; L128-E130 WeakPolarHBondContact O-CG 3.3Å; L128-E130 PolarHBondContact O-N 2.76Å; L128-S134 VanDerWaalsContact CB-OG 3.22Å; L128-S134 WeakPolarHBondContact CB-OG 3.37Å; L128-A138 HydrophobicContact CD1-CB 4.24Å; L128-I139 HydrophobicContact CD1-CG1 4.2Å; L128-F142 HydrophobicContact CD1-CB 4.15Å; L128-F142 HydrophobicContact CD2-CD2 4.39Å; L128-F142 HydrophobicContact CG-CD2 4.39Å; L128-F142 HydrophobicContact CG-CG 4.48Å
129	N	77.3	Confident	85	Confident	137 Å²	137	55.2 Å²	55.2	73%	0.733	31%	0.312	S	S	*	.			trans	32.9	42.8	173.9	-165.7	47.9	0	0	0	115.9	L125 E127	L125-N129 PolarHBondContact O-N 3.33Å; E127-N129 VanDerWaalsContact C-N 3.34Å
130	E	78.1	Confident	85.1	Confident	110 Å²	110	53.6 Å²	53.6	51%	0.514	30%	0.296	S	S	.	.			trans	-78.5	130.8	-177.8	-71.6	-62.3	156.1	0	0	109.6	L128 N132 G133	L128-E130 WeakPolarHBondContact O-CG 3.3Å; L128-E130 PolarHBondContact O-N 2.76Å; E130-N132 PolarHBondContact O-N 3.46Å; E130-G133 PolarHBondContact O-N 3.4Å
131	P	69	Low	85.2	Confident	115 Å²	115	54.4 Å²	54.4	75%	0.747	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-23	-175.6	24.9	-34.4	0	0	0	112.9
132	N	71.9	Confident	85.1	Confident	123 Å²	123	55.7 Å²	55.7	66%	0.658	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.5	10	179.9	-130.7	55.1	0	0	0	113.2	E130 S176	E130-N132 PolarHBondContact O-N 3.46Å; N132-S176 WeakPolarHBondContact O-CB 3.45Å
133	G	85.5	Confident	85.2	Confident	9 Å²	9	54.4 Å²	54.4	9%	0.093	31%	0.307	C	S	.	.			trans	77.9	158.8	-171.3	0	0	0	0	0	113.3	E130 Y177	E130-G133 PolarHBondContact O-N 3.4Å; G133-Y177 CarbonylContact C-O 3.52Å; G133-Y177 WeakPolarHBondContact CA-O 3.49Å
134	S	87.1	Confident	85.3	Confident	5 Å²	5	55.9 Å²	55.9	4%	0.035	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	137.9	179	-50.7	0	0	0	0	111	L128 S176 Y177	L128-S134 VanDerWaalsContact CB-OG 3.22Å; L128-S134 WeakPolarHBondContact CB-OG 3.37Å; S134-S176 CarbonylContact O-C 3.57Å; S134-S176 WeakPolarHBondContact O-CA 3.29Å; S134-Y177 PolarHBondContact N-O 3.26Å; S134-Y177 PolarHBondContact O-N 3.39Å
135	D	88.7	Confident	85.1	Confident	74 Å²	74	63.9 Å²	63.9	40%	0.396	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	162.7	176.2	75.3	-34.2	0	0	0	111.4	A137 A138 I139	D135-A137 PolarHBondContact O-N 3.14Å; D135-A137 WeakPolarHBondContact OD2-CB 3.08Å; D135-A138 PolarHBondContact O-N 3.23Å; D135-A138 WeakPolarHBondContact OD1-CA 3.37Å; D135-A138 WeakPolarHBondContact OD1-CB 3.26Å; D135-A138 PolarHBondContact OD1-N 3.46Å; D135-I139 VanDerWaalsContact O-CG1 3.28Å; D135-I139 WeakPolarHBondContact O-CG1 3.41Å; D135-I139 PolarHBondContact O-N 3.29Å
136	I	89.9	Confident	84.8	Confident	59 Å²	59	71 Å²	71	30%	0.303	38%	0.377	S	S	.	.	H	α-helix	trans	-59.7	-33.9	-178.5	-59.5	172.8	0	0	0	110.8	F140 L157 A158 L161 Y177	I136-F140 VanDerWaalsContact O-CB 3.28Å; I136-F140 WeakPolarHBondContact O-CB 3.49Å; I136-F140 PolarHBondContact O-N 3.42Å; I136-L157 HydrophobicContact CG2-CD2 4.11Å; I136-L157 HydrophobicContact CG2-CG 4.38Å; I136-A158 HydrophobicContact CD1-CB 4.34Å; I136-L161 HydrophobicContact CG1-CD1 4.05Å; I136-L161 HydrophobicContact CG2-CD1 4.43Å; I136-Y177 HydrophobicContact CD1-CE2 4.02Å; I136-Y177 HydrophobicContact CG1-CD2 4.24Å; I136-Y177 HydrophobicContact CG1-CE2 3.63Å
137	A	88.3	Confident	84.7	Confident	55 Å²	55	68.6 Å²	68.6	46%	0.455	36%	0.362	S	S	.	.	H	α-helix	trans	-73.5	-42.5	-179.1	0	0	0	0	0	112.4	D135 F140 G141	D135-A137 PolarHBondContact O-N 3.14Å; D135-A137 WeakPolarHBondContact OD2-CB 3.08Å; A137-F140 PolarHBondContact O-N 2.85Å; A137-G141 PolarHBondContact O-N 3.01Å
138	A	89.2	Confident	84.3	Confident	38 Å²	38	68.6 Å²	68.6	31%	0.314	38%	0.382	S	S	.	.	H	α-helix	trans	-65.3	-41.8	174.5	0	0	0	0	0	111.8	L128 D135 F140 G141 F142	L128-A138 HydrophobicContact CD1-CB 4.24Å; D135-A138 PolarHBondContact O-N 3.23Å; D135-A138 WeakPolarHBondContact OD1-CA 3.37Å; D135-A138 WeakPolarHBondContact OD1-CB 3.26Å; D135-A138 PolarHBondContact OD1-N 3.46Å; A138-F140 VanDerWaalsContact C-N 3.3Å; A138-F140 PolarHBondContact O-N 3.47Å; A138-G141 PolarHBondContact O-N 2.94Å; A138-F142 WeakPolarHBondContact O-CB 2.91Å; A138-F142 PolarHBondContact O-N 3.2Å
139	I	90.6	Very high	84	Confident	0 Å²	0	67.7 Å²	67.7	0%	0	38%	0.378	C	S	.	.	H	α-helix	trans	-60.8	-44	175.6	-62.4	164.4	0	0	0	110	A124 L125 L128 D135 I143 L157 L161 Y177	A124-I139 HydrophobicContact CB-CG2 4.18Å; L125-I139 HydrophobicContact CD2-CD1 3.59Å; L125-I139 HydrophobicContact CD2-CG1 3.95Å; L125-I139 HydrophobicContact CG-CD1 4.39Å; L128-I139 HydrophobicContact CD1-CG1 4.2Å; D135-I139 VanDerWaalsContact O-CG1 3.28Å; D135-I139 WeakPolarHBondContact O-CG1 3.41Å; D135-I139 PolarHBondContact O-N 3.29Å; I139-I143 HydrophobicContact CG2-CD1 3.71Å; I139-I143 HydrophobicContact CG2-CG1 4.49Å; I139-I143 WeakPolarHBondContact O-CB 3.31Å; I139-I143 WeakPolarHBondContact O-CD1 3.29Å; I139-I143 WeakPolarHBondContact O-CG1 3.41Å; I139-I143 PolarHBondContact O-N 2.93Å; I139-L157 HydrophobicContact CG2-CD1 4.29Å; I139-L157 HydrophobicContact CG2-CD2 4.36Å; I139-L161 HydrophobicContact CD1-CD1 4.16Å; I139-L161 HydrophobicContact CD1-CD2 4.11Å; I139-Y177 HydrophobicContact CD1-CD2 4.37Å
140	F	89.3	Confident	83.9	Confident	18 Å²	18	67.1 Å²	67.1	8%	0.079	37%	0.371	C	S	.	.	H	α-helix	trans	-62.5	-49.6	177.3	-178.9	-100.8	0	0	0	111.8	I136 A137 A138 F142 I143 E144 F153 R154 L157	I136-F140 VanDerWaalsContact O-CB 3.28Å; I136-F140 WeakPolarHBondContact O-CB 3.49Å; I136-F140 PolarHBondContact O-N 3.42Å; A137-F140 PolarHBondContact O-N 2.85Å; A138-F140 VanDerWaalsContact C-N 3.3Å; A138-F140 PolarHBondContact O-N 3.47Å; F140-F142 PolarHBondContact O-N 3.1Å; F140-I143 PolarHBondContact O-N 3.33Å; F140-E144 HydrophobicContact CE1-CB 4.42Å; F140-E144 VanDerWaalsContact CE1-OE2 3.26Å; F140-E144 WeakPolarHBondContact CE1-OE2 3.37Å; F140-E144 WeakPolarHBondContact O-CB 3.3Å; F140-E144 PolarHBondContact O-N 2.91Å; F140-F153 AromaticContact CD2-CD1 3.85Å; F140-F153 HydrophobicContact CD2-CD1 3.85Å; F140-F153 HydrophobicContact CD2-CE1 4.29Å; F140-F153 HydrophobicContact CE2-CB 4.49Å; F140-F153 AromaticContact CE2-CD1 3.83Å; F140-F153 HydrophobicContact CE2-CD1 3.83Å; F140-R154 HydrophobicContact CD2-CB 3.87Å; F140-R154 HydrophobicContact CD2-CG 4.1Å; F140-R154 HydrophobicContact CE2-CB 3.51Å; F140-R154 HydrophobicContact CE2-CG 4.16Å; F140-R154 HydrophobicContact CG-CG 4.32Å; F140-R154 HydrophobicContact CZ-CB 3.91Å; F140-R154 HydrophobicContact CZ-CG 4.42Å; F140-L157 HydrophobicContact CB-CD2 3.66Å; F140-L157 HydrophobicContact CD2-CD2 4.07Å; F140-L157 HydrophobicContact CG-CD2 4.36Å
141	G	87.4	Confident	83.8	Confident	32 Å²	32	66.8 Å²	66.8	33%	0.33	38%	0.378	S	S	.	.	H	α-helix	trans	-62	-41	-179.5	0	0	0	0	0	112.7	A137 A138 E144 Q145	A137-G141 PolarHBondContact O-N 3.01Å; A138-G141 PolarHBondContact O-N 2.94Å; G141-E144 PolarHBondContact O-N 3.47Å; G141-Q145 WeakPolarHBondContact O-CB 3.47Å; G141-Q145 PolarHBondContact O-N 3.48Å
142	F	88.4	Confident	84.3	Confident	27 Å²	27	64.8 Å²	64.8	12%	0.118	36%	0.364	C	S	.	.	H	α-helix	trans	-62.4	-45.6	175.2	-177.2	-86.7	0	0	0	111.7	A124 E127 L128 A138 F140 Q145 R146	A124-F142 HydrophobicContact CB-CD1 3.44Å; A124-F142 VanDerWaalsContact CB-CD1 3.44Å; A124-F142 HydrophobicContact CB-CE1 4.01Å; A124-F142 HydrophobicContact CB-CG 4.24Å; E127-F142 HydrophobicContact CB-CE1 4.19Å; E127-F142 HydrophobicContact CB-CE2 3.76Å; E127-F142 HydrophobicContact CB-CZ 3.44Å; E127-F142 VanDerWaalsContact CB-CZ 3.44Å; E127-F142 HydrophobicContact CG-CE2 3.61Å; E127-F142 HydrophobicContact CG-CZ 3.54Å; L128-F142 HydrophobicContact CD1-CB 4.15Å; L128-F142 HydrophobicContact CD2-CD2 4.39Å; L128-F142 HydrophobicContact CG-CD2 4.39Å; L128-F142 HydrophobicContact CG-CG 4.48Å; A138-F142 WeakPolarHBondContact O-CB 2.91Å; A138-F142 PolarHBondContact O-N 3.2Å; F140-F142 PolarHBondContact O-N 3.1Å; F142-Q145 PolarHBondContact O-N 3.45Å; F142-R146 HydrophobicContact CD1-CG 4.31Å; F142-R146 HydrophobicContact CE1-CG 3.84Å; F142-R146 HydrophobicContact CE2-CG 4.4Å; F142-R146 HydrophobicContact CZ-CG 3.89Å; F142-R146 WeakPolarHBondContact O-CB 3.41Å; F142-R146 WeakPolarHBondContact O-CG 3.12Å; F142-R146 PolarHBondContact O-N 2.99Å
143	I	89.5	Confident	85	Confident	0 Å²	0	59 Å²	59	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-67.2	-42.8	179.3	-66.7	169.9	0	0	0	110.5	M120 I121 A124 I139 F140 Q145 R146 Y147 V149 F153	M120-I143 HydrophobicContact CB-CD1 4.3Å; M120-I143 HydrophobicContact CB-CG1 4.33Å; M120-I143 HydrophobicContact CB-CG2 4.18Å; M120-I143 HydrophobicContact SD-CG2 3.77Å; I121-I143 HydrophobicContact CB-CD1 4.47Å; I121-I143 HydrophobicContact CG1-CD1 3.77Å; A124-I143 HydrophobicContact CB-CD1 4.07Å; A124-I143 HydrophobicContact CB-CG1 3.7Å; I139-I143 HydrophobicContact CG2-CD1 3.71Å; I139-I143 HydrophobicContact CG2-CG1 4.49Å; I139-I143 WeakPolarHBondContact O-CB 3.31Å; I139-I143 WeakPolarHBondContact O-CD1 3.29Å; I139-I143 WeakPolarHBondContact O-CG1 3.41Å; I139-I143 PolarHBondContact O-N 2.93Å; F140-I143 PolarHBondContact O-N 3.33Å; I143-Q145 VanDerWaalsContact C-N 3.29Å; I143-Q145 PolarHBondContact O-N 2.81Å; I143-R146 PolarHBondContact O-N 3.3Å; I143-Y147 HydrophobicContact CG2-CD2 4.2Å; I143-Y147 WeakPolarHBondContact O-CA 3.37Å; I143-Y147 VanDerWaalsContact O-CB 3.28Å; I143-Y147 WeakPolarHBondContact O-CB 3.35Å; I143-Y147 PolarHBondContact O-N 3.47Å; I143-Y147 VanDerWaalsContact O-O 3.05Å; I143-V149 HydrophobicContact CG2-CG1 3.64Å; I143-V149 HydrophobicContact CG2-CG2 4.5Å; I143-F153 HydrophobicContact CB-CE1 4.17Å; I143-F153 HydrophobicContact CD1-CE1 3.9Å; I143-F153 HydrophobicContact CD1-CZ 3.93Å; I143-F153 HydrophobicContact CG2-CD1 4.39Å; I143-F153 HydrophobicContact CG2-CE1 3.67Å; I143-F153 HydrophobicContact CG2-CZ 4.24Å
144	E	87.7	Confident	84.9	Confident	103 Å²	103	66.2 Å²	66.2	48%	0.481	36%	0.358	S	S	.	.	H	α-helix	trans	-64	-34.1	178.7	-173.5	171.9	-128.1	0	0	112.3	F140 G141 V149	F140-E144 HydrophobicContact CE1-CB 4.42Å; F140-E144 VanDerWaalsContact CE1-OE2 3.26Å; F140-E144 WeakPolarHBondContact CE1-OE2 3.37Å; F140-E144 WeakPolarHBondContact O-CB 3.3Å; F140-E144 PolarHBondContact O-N 2.91Å; G141-E144 PolarHBondContact O-N 3.47Å; E144-V149 HydrophobicContact CB-CG2 4.2Å; E144-V149 HydrophobicContact CG-CG2 4.42Å
145	Q	85.6	Confident	84.9	Confident	168 Å²	168	76.3 Å²	76.3	79%	0.785	40%	0.395	S	S	*	.	H	α-helix	trans	-73.8	-37.2	176.3	-170.3	174.7	32.9	0	0	112.9	G141 F142 I143	G141-Q145 WeakPolarHBondContact O-CB 3.47Å; G141-Q145 PolarHBondContact O-N 3.48Å; F142-Q145 PolarHBondContact O-N 3.45Å; I143-Q145 VanDerWaalsContact C-N 3.29Å; I143-Q145 PolarHBondContact O-N 2.81Å
146	R	82.9	Confident	84.8	Confident	157 Å²	157	79.1 Å²	79.1	59%	0.592	40%	0.404	S	S	*	.	H	α-helix	trans	-86.7	-30.7	-178.8	-73.3	-68.4	-167.7	175.4	4	113.5	F142 I143	F142-R146 HydrophobicContact CD1-CG 4.31Å; F142-R146 HydrophobicContact CE1-CG 3.84Å; F142-R146 HydrophobicContact CE2-CG 4.4Å; F142-R146 HydrophobicContact CZ-CG 3.89Å; F142-R146 WeakPolarHBondContact O-CB 3.41Å; F142-R146 WeakPolarHBondContact O-CG 3.12Å; F142-R146 PolarHBondContact O-N 2.99Å; I143-R146 PolarHBondContact O-N 3.3Å
147	Y	82.7	Confident	84.9	Confident	53 Å²	53	76.3 Å²	76.3	21%	0.208	39%	0.389	C	S	.	.	S	Bend	trans	-130.9	130	-171.7	-62.9	-76.1	0	0	0	110.2	P115 M120 E123 I143 V149	P115-Y147 HydrophobicContact CG-CE1 4.07Å; M120-Y147 HydrophobicContact CB-CD2 4.11Å; M120-Y147 HydrophobicContact CB-CE2 4.08Å; M120-Y147 HydrophobicContact CG-CD1 4.24Å; M120-Y147 HydrophobicContact CG-CD2 3.74Å; M120-Y147 HydrophobicContact CG-CE1 4.29Å; M120-Y147 HydrophobicContact CG-CE2 3.8Å; M120-Y147 HydrophobicContact CG-CG 3.97Å; M120-Y147 VanDerWaalsContact SD-CB 3.6Å; M120-Y147 HydrophobicContact SD-CD1 4Å; M120-Y147 HydrophobicContact SD-CD2 3.69Å; M120-Y147 HydrophobicContact SD-CE2 4.36Å; M120-Y147 HydrophobicContact SD-CG 3.47Å; E123-Y147 VanDerWaalsContact CD-OH 3.3Å; E123-Y147 PolarHBondContact OE1-OH 2.94Å; E123-Y147 PolarHBondContact OE2-OH 3.25Å; I143-Y147 HydrophobicContact CG2-CD2 4.2Å; I143-Y147 WeakPolarHBondContact O-CA 3.37Å; I143-Y147 VanDerWaalsContact O-CB 3.28Å; I143-Y147 WeakPolarHBondContact O-CB 3.35Å; I143-Y147 PolarHBondContact O-N 3.47Å; I143-Y147 VanDerWaalsContact O-O 3.05Å; Y147-V149 VanDerWaalsContact C-N 3.28Å; Y147-V149 PolarHBondContact O-N 3.45Å
148	A	77.8	Confident	84.9	Confident	116 Å²	116	75.2 Å²	75.2	96%	0.959	38%	0.38	S	S	*	.			trans	-68.3	88.1	169.3	0	0	0	0	0	109.7
149	V	77.6	Confident	84.9	Confident	23 Å²	23	76.3 Å²	76.3	14%	0.139	39%	0.386	C	S	.	.			trans	-95.8	148.6	179	-66.8	0	0	0	0	111.3	Y117 M120 I143 E144 Y147 F153	Y117-V149 HydrophobicContact CE1-CG1 4.38Å; M120-V149 HydrophobicContact CE-CG1 4.21Å; M120-V149 HydrophobicContact SD-CG1 3.85Å; I143-V149 HydrophobicContact CG2-CG1 3.64Å; I143-V149 HydrophobicContact CG2-CG2 4.5Å; E144-V149 HydrophobicContact CB-CG2 4.2Å; E144-V149 HydrophobicContact CG-CG2 4.42Å; Y147-V149 VanDerWaalsContact C-N 3.28Å; Y147-V149 PolarHBondContact O-N 3.45Å; V149-F153 HydrophobicContact CB-CB 4.15Å; V149-F153 HydrophobicContact CB-CD1 4.08Å; V149-F153 HydrophobicContact CB-CG 4.23Å; V149-F153 HydrophobicContact CG1-CD1 4.23Å; V149-F153 HydrophobicContact CG2-CB 4.39Å; V149-F153 HydrophobicContact CG2-CD1 3.93Å; V149-F153 HydrophobicContact CG2-CG 4.46Å
150	Q	76	Confident	84.9	Confident	124 Å²	124	79.6 Å²	79.6	58%	0.579	40%	0.4	S	S	*	.			trans	-64.1	142.6	174.2	-69.6	-71.9	-19.9	0	0	110.3	T152 F153	Q150-T152 PolarHBondContact O-N 3.47Å; Q150-F153 WeakPolarHBondContact O-CB 3.43Å; Q150-F153 PolarHBondContact O-N 3.14Å
151	P	74.6	Confident	85	Confident	104 Å²	104	78.7 Å²	78.7	68%	0.675	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-28.1	177.8	-26.5	34.3	0	0	0	113.8	F153 R154	P151-F153 PolarHBondContact O-N 2.89Å; P151-R154 PolarHBondContact O-N 3.32Å
152	T	80.2	Confident	85.1	Confident	73 Å²	73	84.2 Å²	84.2	45%	0.448	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-18.2	174.8	59.2	0	0	0	0	113.1	Q150 R154 R155 F156	Q150-T152 PolarHBondContact O-N 3.47Å; T152-R154 PolarHBondContact O-N 2.86Å; T152-R155 WeakPolarHBondContact O-CB 3.42Å; T152-R155 PolarHBondContact O-N 3.18Å; T152-F156 WeakPolarHBondContact O-CD2 3.47Å; T152-F156 PolarHBondContact O-N 2.91Å
153	F	85.4	Confident	85.1	Confident	2 Å²	2	90.7 Å²	90.7	1%	0.009	43%	0.43	C	S	.	.	H	α-helix	trans	-56	-38.1	179.1	178.5	-119.6	0	0	0	112	Y117 I121 F140 I143 V149 Q150 P151 R155 F156 L157	Y117-F153 AromaticContact CD1-CD2 3.29Å; Y117-F153 HydrophobicContact CD1-CD2 3.29Å; Y117-F153 AromaticContact CD1-CE2 3.16Å; Y117-F153 HydrophobicContact CD1-CE2 3.16Å; Y117-F153 HydrophobicContact CD1-CG 4.23Å; Y117-F153 AromaticContact CD1-CZ 3.99Å; Y117-F153 HydrophobicContact CD1-CZ 3.99Å; Y117-F153 HydrophobicContact CE1-CB 4.44Å; Y117-F153 AromaticContact CE1-CD2 3.37Å; Y117-F153 HydrophobicContact CE1-CD2 3.37Å; Y117-F153 AromaticContact CE1-CE2 3.79Å; Y117-F153 HydrophobicContact CE1-CE2 3.79Å; Y117-F153 HydrophobicContact CE1-CG 4.02Å; Y117-F153 AromaticContact CG-CD2 3.92Å; Y117-F153 HydrophobicContact CG-CD2 3.92Å; Y117-F153 AromaticContact CG-CE2 3.63Å; Y117-F153 HydrophobicContact CG-CE2 3.63Å; I121-F153 HydrophobicContact CD1-CZ 4.44Å; I121-F153 HydrophobicContact CG1-CZ 4.34Å; F140-F153 AromaticContact CD2-CD1 3.85Å; F140-F153 HydrophobicContact CD2-CD1 3.85Å; F140-F153 HydrophobicContact CD2-CE1 4.29Å; F140-F153 HydrophobicContact CE2-CB 4.49Å; F140-F153 AromaticContact CE2-CD1 3.83Å; F140-F153 HydrophobicContact CE2-CD1 3.83Å; I143-F153 HydrophobicContact CB-CE1 4.17Å; I143-F153 HydrophobicContact CD1-CE1 3.9Å; I143-F153 HydrophobicContact CD1-CZ 3.93Å; I143-F153 HydrophobicContact CG2-CD1 4.39Å; I143-F153 HydrophobicContact CG2-CE1 3.67Å; I143-F153 HydrophobicContact CG2-CZ 4.24Å; V149-F153 HydrophobicContact CB-CB 4.15Å; V149-F153 HydrophobicContact CB-CD1 4.08Å; V149-F153 HydrophobicContact CB-CG 4.23Å; V149-F153 HydrophobicContact CG1-CD1 4.23Å; V149-F153 HydrophobicContact CG2-CB 4.39Å; V149-F153 HydrophobicContact CG2-CD1 3.93Å; V149-F153 HydrophobicContact CG2-CG 4.46Å; Q150-F153 WeakPolarHBondContact O-CB 3.43Å; Q150-F153 PolarHBondContact O-N 3.14Å; P151-F153 PolarHBondContact O-N 2.89Å; F153-R155 PolarHBondContact O-N 2.87Å; F153-F156 CarbonylContact O-C 3.55Å; F153-F156 PolarHBondContact O-N 2.9Å; F153-L157 HydrophobicContact CE1-CB 4.41Å; F153-L157 HydrophobicContact CE1-CD1 4.15Å; F153-L157 HydrophobicContact CE1-CD2 4.23Å; F153-L157 HydrophobicContact CE1-CG 4.5Å; F153-L157 HydrophobicContact CE2-CB 4.48Å; F153-L157 HydrophobicContact CE2-CD1 4.36Å; F153-L157 HydrophobicContact CZ-CB 4.32Å; F153-L157 HydrophobicContact CZ-CD1 3.7Å; F153-L157 HydrophobicContact CZ-CG 4.41Å; F153-L157 WeakPolarHBondContact O-CB 3.46Å; F153-L157 PolarHBondContact O-N 3.47Å
154	R	85.2	Confident	85.1	Confident	160 Å²	160	91.3 Å²	91.3	60%	0.604	43%	0.434	S	S	*	.	H	α-helix	trans	-56.7	-39.8	177.3	-167.3	173.4	172.3	167.5	-1.2	112.2	F140 P151 T152 F156	F140-R154 HydrophobicContact CD2-CB 3.87Å; F140-R154 HydrophobicContact CD2-CG 4.1Å; F140-R154 HydrophobicContact CE2-CB 3.51Å; F140-R154 HydrophobicContact CE2-CG 4.16Å; F140-R154 HydrophobicContact CG-CG 4.32Å; F140-R154 HydrophobicContact CZ-CB 3.91Å; F140-R154 HydrophobicContact CZ-CG 4.42Å; P151-R154 PolarHBondContact O-N 3.32Å; T152-R154 PolarHBondContact O-N 2.86Å; R154-F156 VanDerWaalsContact C-N 3.34Å; R154-F156 PolarHBondContact O-N 2.99Å
155	R	85.6	Confident	85.2	Confident	216 Å²	216	87.5 Å²	87.5	82%	0.815	42%	0.42	S	S	*	.	H	α-helix	trans	-66.9	-36	178.4	-60.1	-178.3	80.5	160.5	2.4	111.5	T152 F153	T152-R155 WeakPolarHBondContact O-CB 3.42Å; T152-R155 PolarHBondContact O-N 3.18Å; F153-R155 PolarHBondContact O-N 2.87Å
156	F	87.8	Confident	85.3	Confident	134 Å²	134	85.4 Å²	85.4	59%	0.588	41%	0.414	S	S	*	.	H	α-helix	trans	-87	-23.2	-179.7	-63.5	-67.5	0	0	0	114	T152 F153 R154 A158 S159 K160	T152-F156 WeakPolarHBondContact O-CD2 3.47Å; T152-F156 PolarHBondContact O-N 2.91Å; F153-F156 CarbonylContact O-C 3.55Å; F153-F156 PolarHBondContact O-N 2.9Å; R154-F156 VanDerWaalsContact C-N 3.34Å; R154-F156 PolarHBondContact O-N 2.99Å; F156-A158 PolarHBondContact O-N 2.88Å; F156-S159 PolarHBondContact O-N 2.69Å; F156-K160 WeakPolarHBondContact O-CB 3.26Å; F156-K160 PolarHBondContact O-N 3.3Å
157	L	90.6	Very high	85.5	Confident	0 Å²	0	81 Å²	81	0%	0	41%	0.408	C	S	.	.	H	α-helix	trans	-58.5	-45.7	-175.3	176.9	59.4	0	0	0	111.5	I121 I136 I139 F140 F153 S159 K160 L161	I121-L157 HydrophobicContact CD1-CD1 3.49Å; I121-L157 VanDerWaalsContact CD1-CD1 3.49Å; I121-L157 HydrophobicContact CG1-CD1 3.66Å; I136-L157 HydrophobicContact CG2-CD2 4.11Å; I136-L157 HydrophobicContact CG2-CG 4.38Å; I139-L157 HydrophobicContact CG2-CD1 4.29Å; I139-L157 HydrophobicContact CG2-CD2 4.36Å; F140-L157 HydrophobicContact CB-CD2 3.66Å; F140-L157 HydrophobicContact CD2-CD2 4.07Å; F140-L157 HydrophobicContact CG-CD2 4.36Å; F153-L157 HydrophobicContact CE1-CB 4.41Å; F153-L157 HydrophobicContact CE1-CD1 4.15Å; F153-L157 HydrophobicContact CE1-CD2 4.23Å; F153-L157 HydrophobicContact CE1-CG 4.5Å; F153-L157 HydrophobicContact CE2-CB 4.48Å; F153-L157 HydrophobicContact CE2-CD1 4.36Å; F153-L157 HydrophobicContact CZ-CB 4.32Å; F153-L157 HydrophobicContact CZ-CD1 3.7Å; F153-L157 HydrophobicContact CZ-CG 4.41Å; F153-L157 WeakPolarHBondContact O-CB 3.46Å; F153-L157 PolarHBondContact O-N 3.47Å; L157-S159 PolarHBondContact O-N 2.83Å; L157-K160 PolarHBondContact O-N 3.11Å; L157-K160 VanDerWaalsContact O-N 3.16Å; L157-L161 HydrophobicContact CD1-CD1 3.89Å; L157-L161 HydrophobicContact CD1-CG 3.93Å; L157-L161 HydrophobicContact CG-CD1 3.83Å; L157-L161 HydrophobicContact CG-CG 4.34Å; L157-L161 WeakPolarHBondContact O-CB 3.47Å; L157-L161 WeakPolarHBondContact O-CG 3.29Å; L157-L161 PolarHBondContact O-N 3.01Å
158	A	89.2	Confident	85.5	Confident	32 Å²	32	85 Å²	85	26%	0.264	43%	0.432	S	S	.	.	H	α-helix	trans	-60.7	-44	178.7	0	0	0	0	0	112.6	I136 F156 R162	I136-A158 HydrophobicContact CD1-CB 4.34Å; F156-A158 PolarHBondContact O-N 2.88Å; A158-R162 WeakPolarHBondContact O-CB 3.43Å; A158-R162 PolarHBondContact O-N 3.41Å
159	S	89.6	Confident	85.8	Confident	61 Å²	61	84.7 Å²	84.7	43%	0.427	41%	0.409	S	S	.	.	H	α-helix	trans	-66.1	-39.8	175.2	177.1	0	0	0	0	111.3	F156 L157 R162 R163	F156-S159 PolarHBondContact O-N 2.69Å; L157-S159 PolarHBondContact O-N 2.83Å; S159-R162 PolarHBondContact O-N 2.9Å; S159-R163 VanDerWaalsContact O-CG 3.3Å; S159-R163 WeakPolarHBondContact O-CG 3.22Å; S159-R163 PolarHBondContact O-N 3.17Å
160	K	89.6	Confident	86.2	Confident	68 Å²	68	83.8 Å²	83.8	30%	0.296	40%	0.404	S	S	.	.	H	α-helix	trans	-66.5	-43.6	179.4	-166.4	67.5	179.7	178.4	0	112	I121 F156 L157 R163 L164	I121-K160 HydrophobicContact CD1-CB 4.11Å; I121-K160 HydrophobicContact CD1-CG 3.67Å; F156-K160 WeakPolarHBondContact O-CB 3.26Å; F156-K160 PolarHBondContact O-N 3.3Å; L157-K160 PolarHBondContact O-N 3.11Å; L157-K160 VanDerWaalsContact O-N 3.16Å; K160-R163 PolarHBondContact O-N 3.29Å; K160-L164 HydrophobicContact CG-CD1 4.29Å; K160-L164 WeakPolarHBondContact O-CB 3.41Å; K160-L164 VanDerWaalsContact O-CG 3.25Å; K160-L164 WeakPolarHBondContact O-CG 3.23Å; K160-L164 PolarHBondContact O-N 3.38Å
161	L	91.3	Very high	86.7	Confident	0 Å²	0	81.8 Å²	81.8	0%	0	39%	0.394	C	S	.	.	H	α-helix	trans	-60	-48.1	173.7	-76.1	166.9	0	0	0	110.6	I121 I136 I139 L157 R163 L164 A165 I170 Y177	I121-L161 HydrophobicContact CG2-CD2 3.5Å; I136-L161 HydrophobicContact CG1-CD1 4.05Å; I136-L161 HydrophobicContact CG2-CD1 4.43Å; I139-L161 HydrophobicContact CD1-CD1 4.16Å; I139-L161 HydrophobicContact CD1-CD2 4.11Å; L157-L161 HydrophobicContact CD1-CD1 3.89Å; L157-L161 HydrophobicContact CD1-CG 3.93Å; L157-L161 HydrophobicContact CG-CD1 3.83Å; L157-L161 HydrophobicContact CG-CG 4.34Å; L157-L161 WeakPolarHBondContact O-CB 3.47Å; L157-L161 WeakPolarHBondContact O-CG 3.29Å; L157-L161 PolarHBondContact O-N 3.01Å; L161-R163 PolarHBondContact O-N 2.89Å; L161-L164 WeakPolarHBondContact O-CB 3.38Å; L161-L164 PolarHBondContact O-N 3.49Å; L161-L164 VanDerWaalsContact O-N 3.1Å; L161-A165 PolarHBondContact O-N 3.38Å; L161-I170 HydrophobicContact CB-CD1 4.24Å; L161-I170 HydrophobicContact CD2-CD1 3.54Å; L161-I170 WeakPolarHBondContact O-CD1 3.39Å; L161-Y177 HydrophobicContact CB-CD1 4Å; L161-Y177 HydrophobicContact CB-CD2 4.41Å; L161-Y177 HydrophobicContact CB-CE1 3.67Å; L161-Y177 HydrophobicContact CB-CE2 4.14Å; L161-Y177 HydrophobicContact CB-CG 4.35Å; L161-Y177 HydrophobicContact CD1-CD2 3.86Å; L161-Y177 HydrophobicContact CD1-CE2 3.84Å; L161-Y177 HydrophobicContact CD1-CG 4.38Å; L161-Y177 HydrophobicContact CD2-CD1 4.23Å; L161-Y177 HydrophobicContact CD2-CD2 4.29Å; L161-Y177 HydrophobicContact CD2-CG 3.99Å; L161-Y177 HydrophobicContact CG-CD2 4.43Å; L161-Y177 HydrophobicContact CG-CE2 4.49Å; L161-Y177 HydrophobicContact CG-CG 4.48Å
162	R	89.1	Confident	87.3	Confident	148 Å²	148	82.3 Å²	82.3	56%	0.558	39%	0.386	S	S	*	.	H	α-helix	trans	-55.7	-49.6	175.5	-166.3	-175.8	-55.1	167.7	2	111.9	A158 S159 L164 A165 D166	A158-R162 WeakPolarHBondContact O-CB 3.43Å; A158-R162 PolarHBondContact O-N 3.41Å; S159-R162 PolarHBondContact O-N 2.9Å; R162-L164 VanDerWaalsContact C-N 3.29Å; R162-L164 PolarHBondContact O-N 2.94Å; R162-A165 WeakPolarHBondContact O-CB 3.29Å; R162-A165 PolarHBondContact O-N 2.96Å; R162-A165 VanDerWaalsContact O-N 3.1Å; R162-D166 PolarHBondContact O-N 3.47Å
163	R	89.4	Confident	87.5	Confident	162 Å²	162	81.2 Å²	81.2	61%	0.611	38%	0.377	S	S	*	.	H	α-helix	trans	-62.8	-33.7	177	-69.9	178.4	72.2	-178.2	7	113.3	S159 K160 L161 S167	S159-R163 VanDerWaalsContact O-CG 3.3Å; S159-R163 WeakPolarHBondContact O-CG 3.22Å; S159-R163 PolarHBondContact O-N 3.17Å; K160-R163 PolarHBondContact O-N 3.29Å; L161-R163 PolarHBondContact O-N 2.89Å; R163-S167 WeakPolarHBondContact O-CB 3.48Å; R163-S167 PolarHBondContact O-N 3.35Å; R163-S167 PolarHBondContact O-OG 3.46Å
164	L	89.1	Confident	87.3	Confident	14 Å²	14	87.2 Å²	87.2	7%	0.073	41%	0.409	C	S	.	.	H	α-helix	trans	-69.7	-37	175.7	-76.2	168.9	0	0	0	111.1	I121 M122 K160 L161 R162 S167 N168 K169 I170	I121-L164 HydrophobicContact CB-CD1 4.29Å; I121-L164 HydrophobicContact CD1-CD1 4.05Å; I121-L164 HydrophobicContact CG2-CD1 3.95Å; M122-L164 HydrophobicContact CE-CB 4.24Å; M122-L164 HydrophobicContact CE-CD1 3.58Å; M122-L164 HydrophobicContact CE-CD2 3.56Å; M122-L164 HydrophobicContact CE-CG 3.98Å; K160-L164 HydrophobicContact CG-CD1 4.29Å; K160-L164 WeakPolarHBondContact O-CB 3.41Å; K160-L164 VanDerWaalsContact O-CG 3.25Å; K160-L164 WeakPolarHBondContact O-CG 3.23Å; K160-L164 PolarHBondContact O-N 3.38Å; L161-L164 WeakPolarHBondContact O-CB 3.38Å; L161-L164 PolarHBondContact O-N 3.49Å; L161-L164 VanDerWaalsContact O-N 3.1Å; R162-L164 VanDerWaalsContact C-N 3.29Å; R162-L164 PolarHBondContact O-N 2.94Å; L164-S167 WeakPolarHBondContact CA-OG 3.28Å; L164-S167 CarbonylContact O-C 3.56Å; L164-S167 PolarHBondContact O-N 2.99Å; L164-S167 PolarHBondContact O-OG 2.73Å; L164-N168 PolarHBondContact O-N 3.22Å; L164-K169 HydrophobicContact CD2-CB 4.24Å; L164-K169 HydrophobicContact CD2-CD 3.92Å; L164-K169 PolarHBondContact O-N 3.33Å; L164-I170 HydrophobicContact CB-CD1 3.67Å; L164-I170 HydrophobicContact CB-CG1 3.77Å
165	A	89.3	Confident	87.2	Confident	22 Å²	22	87.2 Å²	87.2	18%	0.182	41%	0.413	C	S	.	.	H	α-helix	trans	-64.9	-44.4	172.7	0	0	0	0	0	111.4	L161 R162 S167 N168 I170 K172	L161-A165 PolarHBondContact O-N 3.38Å; R162-A165 WeakPolarHBondContact O-CB 3.29Å; R162-A165 PolarHBondContact O-N 2.96Å; R162-A165 VanDerWaalsContact O-N 3.1Å; A165-S167 VanDerWaalsContact C-N 3.26Å; A165-S167 PolarHBondContact O-N 2.82Å; A165-N168 WeakPolarHBondContact O-CA 3.35Å; A165-N168 PolarHBondContact O-N 3.17Å; A165-I170 WeakPolarHBondContact CA-O 3.37Å; A165-I170 HydrophobicContact CB-CG1 4.03Å; A165-K172 HydrophobicContact CB-CB 4.23Å
166	D	88.8	Confident	87.2	Confident	124 Å²	124	78 Å²	78	66%	0.663	38%	0.383	S	S	*	.	H	α-helix	trans	-62	-35	175.2	-57.1	-28.7	0	0	0	112	R162 N168	R162-D166 PolarHBondContact O-N 3.47Å; D166-N168 PolarHBondContact O-N 2.78Å
167	S	87	Confident	87.2	Confident	66 Å²	66	72.3 Å²	72.3	46%	0.462	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	4.6	174.7	71.7	0	0	0	0	114.4	R163 L164 A165 K169	R163-S167 WeakPolarHBondContact O-CB 3.48Å; R163-S167 PolarHBondContact O-N 3.35Å; R163-S167 PolarHBondContact O-OG 3.46Å; L164-S167 WeakPolarHBondContact CA-OG 3.28Å; L164-S167 CarbonylContact O-C 3.56Å; L164-S167 PolarHBondContact O-N 2.99Å; L164-S167 PolarHBondContact O-OG 2.73Å; A165-S167 VanDerWaalsContact C-N 3.26Å; A165-S167 PolarHBondContact O-N 2.82Å; S167-K169 PolarHBondContact O-N 3.21Å; S167-K169 WeakPolarHBondContact OG-CG 3.36Å
168	N	82.7	Confident	87	Confident	135 Å²	135	75.8 Å²	75.8	72%	0.722	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.5	27.3	-178.9	-134.7	-56.6	0	0	0	114	L164 A165 D166	L164-N168 PolarHBondContact O-N 3.22Å; A165-N168 WeakPolarHBondContact O-CA 3.35Å; A165-N168 PolarHBondContact O-N 3.17Å; D166-N168 PolarHBondContact O-N 2.78Å
169	K	83.6	Confident	86.7	Confident	111 Å²	111	75.5 Å²	75.5	48%	0.483	36%	0.364	S	S	.	.	S	Bend	trans	-92.9	-24.3	177.4	-68.3	-173.2	119.3	-67.6	0	113.1	M122 L164 S167 L179 P180	M122-K169 HydrophobicContact CE-CB 3.86Å; M122-K169 HydrophobicContact SD-CB 4.42Å; L164-K169 HydrophobicContact CD2-CB 4.24Å; L164-K169 HydrophobicContact CD2-CD 3.92Å; L164-K169 PolarHBondContact O-N 3.33Å; S167-K169 PolarHBondContact O-N 3.21Å; S167-K169 WeakPolarHBondContact OG-CG 3.36Å; K169-L179 WeakPolarHBondContact O-CD1 3.1Å; K169-P180 VanDerWaalsContact O-CD 3.26Å; K169-P180 WeakPolarHBondContact O-CD 3.4Å
170	I	86.8	Confident	86	Confident	4 Å²	4	74 Å²	74	2%	0.021	35%	0.353	C	S	.	.	S	Bend	trans	-135.5	156.1	173.4	64.9	-179.7	0	0	0	107.5	M122 L125 L161 L164 A165 Y177 R178 L179	M122-I170 HydrophobicContact CE-CG2 3.48Å; M122-I170 VanDerWaalsContact CE-CG2 3.48Å; M122-I170 HydrophobicContact SD-CG2 3.9Å; L125-I170 HydrophobicContact CD1-CB 4.16Å; L125-I170 HydrophobicContact CD1-CD1 4.38Å; L125-I170 HydrophobicContact CD1-CG2 3.42Å; L125-I170 VanDerWaalsContact CD1-CG2 3.42Å; L161-I170 HydrophobicContact CB-CD1 4.24Å; L161-I170 HydrophobicContact CD2-CD1 3.54Å; L161-I170 WeakPolarHBondContact O-CD1 3.39Å; L164-I170 HydrophobicContact CB-CD1 3.67Å; L164-I170 HydrophobicContact CB-CG1 3.77Å; A165-I170 WeakPolarHBondContact CA-O 3.37Å; A165-I170 HydrophobicContact CB-CG1 4.03Å; I170-Y177 HydrophobicContact CD1-CD1 3.64Å; I170-Y177 HydrophobicContact CD1-CE1 4.45Å; I170-Y177 HydrophobicContact CD1-CG 4.23Å; I170-Y177 HydrophobicContact CG1-CD1 4.35Å; I170-R178 CarbonylContact C-O 3.59Å; I170-R178 WeakPolarHBondContact CA-O 3.43Å; I170-R178 WeakPolarHBondContact CB-O 3.37Å; I170-L179 HydrophobicContact CG2-CD1 4.27Å
171	E	85.6	Confident	84.7	Confident	81 Å²	81	76.6 Å²	76.6	38%	0.379	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	135.2	173.6	-169.6	178	179.7	0	0	109	Y177 R178	E171-Y177 CarbonylContact O-C 3.57Å; E171-Y177 WeakPolarHBondContact O-CA 3.47Å; E171-R178 HydrophobicContact CB-CG 3.92Å; E171-R178 PolarHBondContact N-O 3.27Å; E171-R178 PolarHBondContact O-N 3.16Å; E171-R178 IonicContact OE1-NH2 3.19Å; E171-R178 PolarHBondContact OE1-NH2 3.04Å; E171-R178 IonicContact OE2-CZ 2.99Å; E171-R178 IonicContact OE2-NE 3.2Å; E171-R178 PolarHBondContact OE2-NE 2.81Å; E171-R178 IonicContact OE2-NH2 2.76Å; E171-R178 PolarHBondContact OE2-NH2 3.16Å
172	K	88.5	Confident	82.9	Confident	115 Å²	115	82 Å²	82	50%	0.5	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	117.7	176.7	-177.7	-173.4	171	-163.2	0	108.9	A165 D174 Y177	A165-K172 HydrophobicContact CB-CB 4.23Å; K172-D174 WeakPolarHBondContact CE-O 3.43Å; K172-Y177 HydrophobicContact CB-CD1 4.11Å; K172-Y177 HydrophobicContact CB-CE1 4.02Å; K172-Y177 HydrophobicContact CD-CE1 4.12Å; K172-Y177 HydrophobicContact CG-CD1 4.2Å; K172-Y177 HydrophobicContact CG-CE1 3.79Å
173	I	83.8	Confident	81.2	Confident	51 Å²	51	80.7 Å²	80.7	26%	0.262	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	98.3	174.8	-58.7	169.3	0	0	0	107.7	K175 S176 R178	I173-K175 PolarHBondContact O-N 3.43Å; I173-S176 CarbonylContact C-O 3.57Å; I173-S176 PolarHBondContact N-O 2.83Å; I173-S176 WeakPolarHBondContact O-CA 3.05Å; I173-S176 PolarHBondContact O-N 3.23Å; I173-R178 HydrophobicContact CD1-CB 4.3Å; I173-R178 VanDerWaalsContact CD1-CD 3.43Å; I173-R178 HydrophobicContact CD1-CG 3.67Å; I173-R178 HydrophobicContact CG1-CG 4.35Å
174	D	81.4	Confident	79.3	Confident	128 Å²	128	77 Å²	77	68%	0.684	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.3	-95.5	-177.9	-167.2	53.3	0	0	0	113.5	K172	K172-D174 WeakPolarHBondContact CE-O 3.43Å
175	K	83.3	Confident	76.9	Confident	159 Å²	159	82.4 Å²	82.4	69%	0.691	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.6	-3.7	177.6	-64.8	176.1	-171.2	178.9	0	114.3	I173	I173-K175 PolarHBondContact O-N 3.43Å
176	S	85.6	Confident	74.7	Confident	24 Å²	24	92.1 Å²	92.1	17%	0.168	48%	0.481	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	159.3	-177.4	-62.3	0	0	0	0	111.4	N132 S134 I173	N132-S176 WeakPolarHBondContact O-CB 3.45Å; S134-S176 CarbonylContact O-C 3.57Å; S134-S176 WeakPolarHBondContact O-CA 3.29Å; I173-S176 CarbonylContact C-O 3.57Å; I173-S176 PolarHBondContact N-O 2.83Å; I173-S176 WeakPolarHBondContact O-CA 3.05Å; I173-S176 PolarHBondContact O-N 3.23Å
177	Y	87.7	Confident	72.3	Confident	13 Å²	13	92.3 Å²	92.3	5%	0.051	49%	0.487	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	135.2	177.5	-61	-94.1	0	0	0	109.1	L125 G133 S134 I136 I139 L161 I170 E171 K172	L125-Y177 WeakPolarHBondContact CD2-O 3.25Å; G133-Y177 CarbonylContact C-O 3.52Å; G133-Y177 WeakPolarHBondContact CA-O 3.49Å; S134-Y177 PolarHBondContact N-O 3.26Å; S134-Y177 PolarHBondContact O-N 3.39Å; I136-Y177 HydrophobicContact CD1-CE2 4.02Å; I136-Y177 HydrophobicContact CG1-CD2 4.24Å; I136-Y177 HydrophobicContact CG1-CE2 3.63Å; I139-Y177 HydrophobicContact CD1-CD2 4.37Å; L161-Y177 HydrophobicContact CB-CD1 4Å; L161-Y177 HydrophobicContact CB-CD2 4.41Å; L161-Y177 HydrophobicContact CB-CE1 3.67Å; L161-Y177 HydrophobicContact CB-CE2 4.14Å; L161-Y177 HydrophobicContact CB-CG 4.35Å; L161-Y177 HydrophobicContact CD1-CD2 3.86Å; L161-Y177 HydrophobicContact CD1-CE2 3.84Å; L161-Y177 HydrophobicContact CD1-CG 4.38Å; L161-Y177 HydrophobicContact CD2-CD1 4.23Å; L161-Y177 HydrophobicContact CD2-CD2 4.29Å; L161-Y177 HydrophobicContact CD2-CG 3.99Å; L161-Y177 HydrophobicContact CG-CD2 4.43Å; L161-Y177 HydrophobicContact CG-CE2 4.49Å; L161-Y177 HydrophobicContact CG-CG 4.48Å; I170-Y177 HydrophobicContact CD1-CD1 3.64Å; I170-Y177 HydrophobicContact CD1-CE1 4.45Å; I170-Y177 HydrophobicContact CD1-CG 4.23Å; I170-Y177 HydrophobicContact CG1-CD1 4.35Å; E171-Y177 CarbonylContact O-C 3.57Å; E171-Y177 WeakPolarHBondContact O-CA 3.47Å; K172-Y177 HydrophobicContact CB-CD1 4.11Å; K172-Y177 HydrophobicContact CB-CE1 4.02Å; K172-Y177 HydrophobicContact CD-CE1 4.12Å; K172-Y177 HydrophobicContact CG-CD1 4.2Å; K172-Y177 HydrophobicContact CG-CE1 3.79Å
178	R	86.3	Confident	69.9	Low	74 Å²	74	95.3 Å²	95.3	28%	0.279	51%	0.505	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	160.1	173.2	73.2	166.5	179.6	-170.4	3.3	110.9	I170 E171 I173	I170-R178 CarbonylContact C-O 3.59Å; I170-R178 WeakPolarHBondContact CA-O 3.43Å; I170-R178 WeakPolarHBondContact CB-O 3.37Å; E171-R178 HydrophobicContact CB-CG 3.92Å; E171-R178 PolarHBondContact N-O 3.27Å; E171-R178 PolarHBondContact O-N 3.16Å; E171-R178 IonicContact OE1-NH2 3.19Å; E171-R178 PolarHBondContact OE1-NH2 3.04Å; E171-R178 IonicContact OE2-CZ 2.99Å; E171-R178 IonicContact OE2-NE 3.2Å; E171-R178 PolarHBondContact OE2-NE 2.81Å; E171-R178 IonicContact OE2-NH2 2.76Å; E171-R178 PolarHBondContact OE2-NH2 3.16Å; I173-R178 HydrophobicContact CD1-CB 4.3Å; I173-R178 VanDerWaalsContact CD1-CD 3.43Å; I173-R178 HydrophobicContact CD1-CG 3.67Å; I173-R178 HydrophobicContact CG1-CG 4.35Å
179	L	82.4	Confident	68	Low	25 Å²	25	93 Å²	93	13%	0.131	51%	0.505	C	S	.	.			trans	-77.8	137.6	168.5	-160.6	72	0	0	0	109	M122 L126 K169 I170 D181 L183	M122-L179 HydrophobicContact SD-CD1 3.73Å; L126-L179 HydrophobicContact CD2-CD2 3.34Å; L126-L179 HydrophobicContact CG-CD2 3.85Å; K169-L179 WeakPolarHBondContact O-CD1 3.1Å; I170-L179 HydrophobicContact CG2-CD1 4.27Å; L179-D181 PolarHBondContact O-N 3.3Å; L179-L183 HydrophobicContact CD1-CD1 4.36Å; L179-L183 HydrophobicContact CD2-CB 4Å; L179-L183 HydrophobicContact CD2-CD1 3.87Å; L179-L183 HydrophobicContact CG-CD1 4.21Å
180	P	73.9	Confident	66	Low	31 Å²	31	92.3 Å²	92.3	20%	0.201	51%	0.511	C	S	.	.			trans	-61.5	135	173.9	21.9	-31.5	0	0	0	110	K169 S182 L183	K169-P180 VanDerWaalsContact O-CD 3.26Å; K169-P180 WeakPolarHBondContact O-CD 3.4Å; P180-S182 PolarHBondContact O-N 3.25Å; P180-L183 PolarHBondContact O-N 2.92Å
181	D	62.4	Low	63.8	Low	121 Å²	121	99.5 Å²	99.5	65%	0.647	55%	0.547	S	S	*	.	G	3₁₀ helix	trans	-53.8	-8	-173	-76.8	-36.4	0	0	0	115.3	L179 L183 A184	L179-D181 PolarHBondContact O-N 3.3Å; D181-L183 PolarHBondContact O-N 3.31Å; D181-A184 PolarHBondContact O-N 3.43Å
182	S	54.2	Low	61.8	Low	115 Å²	115	103.6 Å²	103.6	80%	0.804	57%	0.571	S	S	*	*	G	3₁₀ helix	trans	-74	0.1	-178.4	-161.4	0	0	0	0	115.2	P180	P180-S182 PolarHBondContact O-N 3.25Å
183	L	53.9	Low	59.4	Low	120 Å²	120	102.6 Å²	102.6	63%	0.628	59%	0.585	S	S	*	*	G	3₁₀ helix	trans	-111.4	-9.9	175.7	-75.3	164.5	0	0	0	114.2	L179 P180 D181 T185	L179-L183 HydrophobicContact CD1-CD1 4.36Å; L179-L183 HydrophobicContact CD2-CB 4Å; L179-L183 HydrophobicContact CD2-CD1 3.87Å; L179-L183 HydrophobicContact CG-CD1 4.21Å; P180-L183 PolarHBondContact O-N 2.92Å; D181-L183 PolarHBondContact O-N 3.31Å; L183-T185 VanDerWaalsContact C-N 3.35Å; L183-T185 PolarHBondContact O-N 3.32Å; L183-T185 VanDerWaalsContact O-N 3.08Å
184	A	48.2	Very low	57.5	Low	84 Å²	84	105.8 Å²	105.8	69%	0.694	61%	0.612	S	S	*	*			trans	-85.9	73.1	177.2	0	0	0	0	0	111	D181 R186	D181-A184 PolarHBondContact O-N 3.43Å; A184-R186 PolarHBondContact O-N 2.92Å
185	T	40.1	Very low	55.8	Low	127 Å²	127	104.4 Å²	104.4	78%	0.779	62%	0.617	S	S	*	*			trans	-78.2	110.7	171.2	-46.7	0	0	0	0	109.9	L183	L183-T185 VanDerWaalsContact C-N 3.35Å; L183-T185 PolarHBondContact O-N 3.32Å; L183-T185 VanDerWaalsContact O-N 3.08Å
186	R	42.7	Very low	53.7	Low	226 Å²	226	102.5 Å²	102.5	85%	0.853	62%	0.622	S	S	*	*			trans	128	94.6	153.4	-76	175.6	68.5	-174.7	0.4	112.6	A184	A184-R186 PolarHBondContact O-N 2.92Å
187	T	38.4	Very low	51.5	Low	129 Å²	129	109.9 Å²	109.9	79%	0.791	65%	0.651	S	S	*	*				-160.6	120.6	115.8	-63.7	0	0	0	0	107.7
188	P	36.6	Very low	49.5	Very low	129 Å²	129	116.7 Å²	116.7	84%	0.838	68%	0.683	S	S	*	*			trans	-87.6	117.3	174.7	32.9	-25.5	0	0	0	108.8
189	A	43.1	Very low	47.1	Very low	86 Å²	86	122.1 Å²	122.1	71%	0.711	71%	0.709	S	S	*	*			trans	-153.5	142.6	163.8	0	0	0	0	0	109.7
190	P	41.7	Very low	45.2	Very low	96 Å²	96	128.6 Å²	128.6	62%	0.623	74%	0.743	S	S	*	*			trans	-114.3	-179.7	-130.5	6.8	18.6	0	0	0	111.9
191	M	40	Very low	43.9	Very low	155 Å²	155	131.8 Å²	131.8	76%	0.764	76%	0.764	S	S	*	*			trans	60.2	99.9	145.1	60.4	-168.6	147	0	0	118
192	N	44.3	Very low	43.1	Very low	167 Å²	167	131.6 Å²	131.6	89%	0.893	77%	0.772	S	S	*	*				-162.1	103.9	112.3	-92.4	-27.2	0	0	0	111.1
193	A	38.2	Very low	42.8	Very low	95 Å²	95	135.6 Å²	135.6	79%	0.785	78%	0.775	S	S	*	*			trans	-89.3	129.7	159.7	0	0	0	0	0	108.3
194	S	44	Very low	42.2	Very low	118 Å²	118	135.8 Å²	135.8	83%	0.825	78%	0.783	S	S	*	*			trans	-175.8	93.9	153.5	-79.5	0	0	0	0	106.4
195	A	46	Very low	42.1	Very low	98 Å²	98	137.7 Å²	137.7	81%	0.81	79%	0.791	S	S	*	*				76.4	137.1	80.8	0	0	0	0	0	113.9
196	P	37.9	Very low	42.3	Very low	120 Å²	120	140.9 Å²	140.9	78%	0.779	80%	0.795	S	S	*	*			trans	-96	153.3	-165.7	37.8	-33.3	0	0	0	113.6
197	K	39.6	Very low	42.5	Very low	178 Å²	178	137 Å²	137	77%	0.774	80%	0.796	S	S	*	*			trans	164.2	135.9	140.3	-96.5	167.3	164.3	180	0	114.9
198	Q	46.7	Very low	42.8	Very low	156 Å²	156	136.3 Å²	136.3	73%	0.729	80%	0.796	S	S	*	*			trans	65.1	113.5	140	-65.5	173.5	-110.7	0	0	119.3
199	K	35.9	Very low	43.4	Very low	189 Å²	189	139.6 Å²	139.6	82%	0.822	80%	0.797	S	S	*	*				90.3	105.5	72.5	-170.8	-177.2	-171.8	-177.7	0	112.4
200	D	41.3	Very low	43.3	Very low	160 Å²	160	139.9 Å²	139.9	86%	0.856	80%	0.8	S	S	*	*			trans	-160.8	136.2	141	-139.7	-66.2	0	0	0	111.1
201	P	46.6	Very low	43.6	Very low	99 Å²	99	143.7 Å²	143.7	64%	0.643	81%	0.813	S	S	*	*			trans	-113.9	155.2	-170.1	38	-24.2	0	0	0	114.6
202	S	45.4	Very low	43.6	Very low	116 Å²	116	138.1 Å²	138.1	81%	0.811	80%	0.795	S	S	*	*			trans	160.5	134.4	155.2	-77.7	0	0	0	0	107.4
203	K	48.7	Very low	43.5	Very low	200 Å²	200	138.3 Å²	138.3	87%	0.87	80%	0.795	S	S	*	*			cis	-163.6	165.6	18	-119.1	172.9	179	172.7	0	107.9
204	P	41.4	Very low	43.9	Very low	123 Å²	123	142.7 Å²	142.7	80%	0.799	80%	0.797	S	S	*	*			trans	-102	158.7	-152.3	38.8	-35.1	0	0	0	115.2
205	S	45.1	Very low	44.1	Very low	124 Å²	124	143.2 Å²	143.2	87%	0.867	80%	0.8	S	S	*	*			trans	-145.3	132.4	162.2	175	0	0	0	0	110.1
206	K	44.7	Very low	44.5	Very low	195 Å²	195	141.7 Å²	141.7	85%	0.848	79%	0.788	S	S	*	*			trans	-72.6	128.4	-169.8	-64.6	155.5	170.8	172.2	0	111.6
207	V	47.7	Very low	45.7	Very low	145 Å²	145	140.9 Å²	140.9	88%	0.879	79%	0.785	S	S	*	*			trans	-149.2	106.7	134.6	-170.1	0	0	0	0	108.6
208	S	44.9	Very low	47.3	Very low	113 Å²	113	135.1 Å²	135.1	79%	0.79	77%	0.767	S	S	*	*			trans	-71.3	125.6	171.6	-49.1	0	0	0	0	110.4
209	K	47.7	Very low	49.1	Very low	198 Å²	198	132.8 Å²	132.8	86%	0.861	77%	0.765	S	S	*	*			trans	-153.2	104.9	137.5	-148.2	135.6	-173.9	173.2	0	110.5	I211	K209-I211 PolarHBondContact O-N 2.99Å; K209-I211 VanDerWaalsContact O-N 3.14Å
210	A	41.7	Very low	51.5	Low	93 Å²	93	127 Å²	127	77%	0.769	75%	0.753	S	S	*	*			trans	-57.6	109.3	173	0	0	0	0	0	110.1	G212	A210-G212 PolarHBondContact O-N 2.79Å
211	I	48.2	Very low	53.6	Low	176 Å²	176	124.3 Å²	124.3	90%	0.903	74%	0.738	S	S	*	*			trans	-85.8	68.3	154.4	-66.4	165.6	0	0	0	105.2	K209	K209-I211 PolarHBondContact O-N 2.99Å; K209-I211 VanDerWaalsContact O-N 3.14Å
212	G	40	Very low	55.3	Low	37 Å²	37	125.9 Å²	125.9	38%	0.381	74%	0.737	S	S	.	*			trans	-84.9	101.8	165.5	0	0	0	0	0	107	A210 F214	A210-G212 PolarHBondContact O-N 2.79Å; G212-F214 VanDerWaalsContact C-N 3.33Å; G212-F214 WeakPolarHBondContact O-CD2 3.49Å; G212-F214 WeakPolarHBondContact O-CE2 3.2Å; G212-F214 PolarHBondContact O-N 3.2Å
213	L	41.3	Very low	57.4	Low	171 Å²	171	123.3 Å²	123.3	90%	0.895	72%	0.722	S	S	*	*				19.4	67.3	129.3	-147.9	76.4	0	0	0	116	S215	L213-S215 PolarHBondContact O-N 2.95Å
214	F	47.6	Very low	59.3	Low	188 Å²	188	116.6 Å²	116.6	83%	0.825	70%	0.704	S	S	*	*			trans	-90.7	85.2	167.7	-73.9	-72.8	0	0	0	109	G212 A216	G212-F214 VanDerWaalsContact C-N 3.33Å; G212-F214 WeakPolarHBondContact O-CD2 3.49Å; G212-F214 WeakPolarHBondContact O-CE2 3.2Å; G212-F214 PolarHBondContact O-N 3.2Å; F214-A216 PolarHBondContact O-N 2.95Å
215	S	48.2	Very low	61.5	Low	128 Å²	128	116.4 Å²	116.4	90%	0.895	69%	0.694	S	S	*	*			trans	-69.8	74.6	156	178.4	0	0	0	0	108.4	L213	L213-S215 PolarHBondContact O-N 2.95Å
216	A	53.6	Low	63.6	Low	67 Å²	67	112.9 Å²	112.9	55%	0.554	67%	0.672	S	S	*	*			trans	-131.8	110.4	166.6	0	0	0	0	0	106.8	F214 S218	F214-A216 PolarHBondContact O-N 2.95Å; A216-S218 PolarHBondContact O-N 3.13Å
217	S	63.1	Low	65.8	Low	102 Å²	102	106.1 Å²	106.1	71%	0.713	65%	0.653	S	S	*	*			trans	-61.7	84.1	173.1	56	0	0	0	0	109.1
218	S	74.7	Confident	67.9	Low	57 Å²	57	102.1 Å²	102.1	40%	0.399	64%	0.635	S	S	.	*			trans	-71.6	131	171.1	177.2	0	0	0	0	107.9	A216 A220 L221 E222	A216-S218 PolarHBondContact O-N 3.13Å; S218-A220 PolarHBondContact O-N 3.36Å; S218-A220 PolarHBondContact OG-N 3.45Å; S218-L221 WeakPolarHBondContact O-CB 3.29Å; S218-L221 PolarHBondContact O-N 2.76Å; S218-E222 PolarHBondContact O-N 2.91Å
219	P	83.3	Confident	70.2	Confident	107 Å²	107	101.5 Å²	101.5	70%	0.695	63%	0.627	S	S	*	*	H	α-helix	trans	-55.9	-25.5	176.6	21.4	-32.3	0	0	0	112.5	A223	P219-A223 VanDerWaalsContact O-CB 3.29Å; P219-A223 WeakPolarHBondContact O-CB 3.45Å; P219-A223 PolarHBondContact O-N 2.98Å
220	A	85.9	Confident	72.3	Confident	69 Å²	69	99.4 Å²	99.4	57%	0.57	62%	0.617	S	S	*	*	H	α-helix	trans	-70.3	-38.2	174.7	0	0	0	0	0	113.4	S218 A224	S218-A220 PolarHBondContact O-N 3.36Å; S218-A220 PolarHBondContact OG-N 3.45Å; A220-A224 WeakPolarHBondContact O-CB 3.41Å; A220-A224 PolarHBondContact O-N 3.41Å
221	L	85.2	Confident	74.8	Confident	102 Å²	102	98.9 Å²	98.9	53%	0.534	60%	0.604	S	S	.	*	H	α-helix	trans	-68.3	-42.3	177	-174.7	81.4	0	0	0	110.4	S218 A224 M225	S218-L221 WeakPolarHBondContact O-CB 3.29Å; S218-L221 PolarHBondContact O-N 2.76Å; L221-A224 PolarHBondContact O-N 3.07Å; L221-M225 HydrophobicContact CD2-CE 4.43Å; L221-M225 HydrophobicContact CG-CE 4.49Å; L221-M225 WeakPolarHBondContact O-CG 3.28Å; L221-M225 PolarHBondContact O-N 3.41Å
222	E	83.7	Confident	76.9	Confident	133 Å²	133	93.1 Å²	93.1	62%	0.621	58%	0.583	S	S	*	*	H	α-helix	trans	-68.3	-39.1	179.5	-167.2	148.9	-176.4	0	0	112	S218 A224 M225 A226	S218-E222 PolarHBondContact O-N 2.91Å; E222-A224 PolarHBondContact O-N 2.49Å; E222-M225 PolarHBondContact O-N 3.06Å; E222-A226 WeakPolarHBondContact O-CB 3.34Å; E222-A226 PolarHBondContact O-N 3.43Å
223	A	88.6	Confident	79.3	Confident	61 Å²	61	96.8 Å²	96.8	50%	0.504	59%	0.594	S	S	.	*	H	α-helix	trans	-62.5	-40.1	170.9	0	0	0	0	0	112.4	P219 A226 A227	P219-A223 VanDerWaalsContact O-CB 3.29Å; P219-A223 WeakPolarHBondContact O-CB 3.45Å; P219-A223 PolarHBondContact O-N 2.98Å; A223-A226 PolarHBondContact O-N 3.2Å; A223-A227 WeakPolarHBondContact O-CB 2.86Å; A223-A227 PolarHBondContact O-N 3.12Å
224	A	89.3	Confident	81.8	Confident	59 Å²	59	91.3 Å²	91.3	49%	0.488	57%	0.574	S	S	.	*	H	α-helix	trans	-66.3	-41.9	175.9	0	0	0	0	0	112.2	A220 L221 E222 A227 A228	A220-A224 WeakPolarHBondContact O-CB 3.41Å; A220-A224 PolarHBondContact O-N 3.41Å; L221-A224 PolarHBondContact O-N 3.07Å; E222-A224 PolarHBondContact O-N 2.49Å; A224-A227 PolarHBondContact O-N 2.82Å; A224-A228 WeakPolarHBondContact O-CB 3.36Å; A224-A228 PolarHBondContact O-N 3.33Å
225	M	87	Confident	83.9	Confident	120 Å²	120	88.6 Å²	88.6	59%	0.591	56%	0.563	S	S	*	*	H	α-helix	trans	-63	-44.5	173.7	-74.3	-176.5	165.3	0	0	111.6	L221 E222 A227 A228 V229	L221-M225 HydrophobicContact CD2-CE 4.43Å; L221-M225 HydrophobicContact CG-CE 4.49Å; L221-M225 WeakPolarHBondContact O-CG 3.28Å; L221-M225 PolarHBondContact O-N 3.41Å; E222-M225 PolarHBondContact O-N 3.06Å; M225-A227 VanDerWaalsContact C-N 3.33Å; M225-A227 PolarHBondContact O-N 3.05Å; M225-A228 PolarHBondContact O-N 2.88Å; M225-V229 WeakPolarHBondContact O-CG2 3.28Å; M225-V229 PolarHBondContact O-N 3.35Å
226	A	89.2	Confident	86.1	Confident	49 Å²	49	85 Å²	85	41%	0.405	54%	0.541	S	S	.	.	H	α-helix	trans	-62.6	-38.4	175.9	0	0	0	0	0	112.3	E222 A223 K230	E222-A226 WeakPolarHBondContact O-CB 3.34Å; E222-A226 PolarHBondContact O-N 3.43Å; A223-A226 PolarHBondContact O-N 3.2Å; A226-K230 WeakPolarHBondContact O-CG 3.41Å; A226-K230 PolarHBondContact O-N 3.03Å; A226-K230 VanDerWaalsContact O-N 3.09Å
227	A	92	Very high	88	Confident	53 Å²	53	89 Å²	89	44%	0.438	55%	0.546	S	S	.	.	H	α-helix	trans	-65.1	-43.5	173.4	0	0	0	0	0	111.8	A223 A224 M225 V229 K230 V231	A223-A227 WeakPolarHBondContact O-CB 2.86Å; A223-A227 PolarHBondContact O-N 3.12Å; A224-A227 PolarHBondContact O-N 2.82Å; M225-A227 VanDerWaalsContact C-N 3.33Å; M225-A227 PolarHBondContact O-N 3.05Å; A227-V229 PolarHBondContact O-N 2.84Å; A227-K230 PolarHBondContact O-N 3.39Å; A227-V231 WeakPolarHBondContact O-CG2 3.19Å; A227-V231 PolarHBondContact O-N 2.99Å
228	A	91.9	Very high	89.4	Confident	61 Å²	61	87 Å²	87	50%	0.504	54%	0.536	S	S	.	.	H	α-helix	trans	-62.3	-41.8	177.5	0	0	0	0	0	112.3	A224 M225 V231 A232	A224-A228 WeakPolarHBondContact O-CB 3.36Å; A224-A228 PolarHBondContact O-N 3.33Å; M225-A228 PolarHBondContact O-N 2.88Å; A228-V231 PolarHBondContact O-N 2.84Å; A228-A232 PolarHBondContact O-N 2.86Å
229	V	92.1	Very high	90.2	Very high	101 Å²	101	89.6 Å²	89.6	61%	0.612	54%	0.542	S	S	*	.	H	α-helix	trans	-63	-42.1	175	171.8	0	0	0	0	111.2	M225 A227 A232 D233	M225-V229 WeakPolarHBondContact O-CG2 3.28Å; M225-V229 PolarHBondContact O-N 3.35Å; A227-V229 PolarHBondContact O-N 2.84Å; V229-A232 PolarHBondContact O-N 2.95Å; V229-D233 WeakPolarHBondContact O-CB 3.42Å; V229-D233 PolarHBondContact O-N 2.77Å
230	K	92.7	Very high	90.5	Very high	153 Å²	153	89 Å²	89	67%	0.665	53%	0.533	S	S	*	.	H	α-helix	trans	-65.5	-38.1	176.8	-74.9	179.2	-178.5	-178.3	0	112.9	A226 A227 A234	A226-K230 WeakPolarHBondContact O-CG 3.41Å; A226-K230 PolarHBondContact O-N 3.03Å; A226-K230 VanDerWaalsContact O-N 3.09Å; A227-K230 PolarHBondContact O-N 3.39Å; K230-A234 VanDerWaalsContact O-CB 3.29Å; K230-A234 WeakPolarHBondContact O-CB 3.42Å; K230-A234 PolarHBondContact O-N 3.06Å
231	V	92.7	Very high	90.9	Very high	82 Å²	82	88 Å²	88	50%	0.497	52%	0.524	S	S	.	.	H	α-helix	trans	-64.9	-45.3	175	172.3	0	0	0	0	110.2	A227 A228 D233 A234 E235	A227-V231 WeakPolarHBondContact O-CG2 3.19Å; A227-V231 PolarHBondContact O-N 2.99Å; A228-V231 PolarHBondContact O-N 2.84Å; V231-D233 PolarHBondContact O-N 2.94Å; V231-A234 PolarHBondContact O-N 3.48Å; V231-E235 HydrophobicContact CG1-CG 4.44Å; V231-E235 WeakPolarHBondContact O-CG 3.36Å; V231-E235 PolarHBondContact O-N 3.5Å
232	A	92.2	Very high	91.4	Very high	55 Å²	55	88.2 Å²	88.2	46%	0.455	52%	0.522	S	S	.	.	H	α-helix	trans	-62.5	-40.9	177	0	0	0	0	0	113	A228 V229 E235 A236	A228-A232 PolarHBondContact O-N 2.86Å; V229-A232 PolarHBondContact O-N 2.95Å; A232-E235 PolarHBondContact O-N 3.25Å; A232-A236 WeakPolarHBondContact O-CB 3.47Å; A232-A236 PolarHBondContact O-N 3.02Å
233	D	91.1	Very high	91.7	Very high	114 Å²	114	85.6 Å²	85.6	61%	0.61	51%	0.512	S	S	*	.	H	α-helix	trans	-65.4	-40.8	174.8	-174.9	61.3	0	0	0	111.9	V229 V231 A236 K237	V229-D233 WeakPolarHBondContact O-CB 3.42Å; V229-D233 PolarHBondContact O-N 2.77Å; V231-D233 PolarHBondContact O-N 2.94Å; D233-A236 PolarHBondContact O-N 3.04Å; D233-K237 WeakPolarHBondContact O-CB 3.39Å; D233-K237 PolarHBondContact O-N 3.17Å
234	A	93.7	Very high	91.9	Very high	57 Å²	57	89.5 Å²	89.5	47%	0.471	52%	0.52	S	S	.	.	H	α-helix	trans	-64.9	-40.9	175.8	0	0	0	0	0	112.3	K230 V231 K237 A238	K230-A234 VanDerWaalsContact O-CB 3.29Å; K230-A234 WeakPolarHBondContact O-CB 3.42Å; K230-A234 PolarHBondContact O-N 3.06Å; V231-A234 PolarHBondContact O-N 3.48Å; A234-K237 PolarHBondContact O-N 3.07Å; A234-A238 WeakPolarHBondContact O-CB 3.49Å; A234-A238 PolarHBondContact O-N 2.98Å
235	E	91.9	Very high	92.2	Very high	131 Å²	131	90.1 Å²	90.1	61%	0.612	52%	0.518	S	S	*	.	H	α-helix	trans	-66.3	-43.4	175.4	-74.4	177.3	-179.6	0	0	112	V231 A232 K237 A238 H239	V231-E235 HydrophobicContact CG1-CG 4.44Å; V231-E235 WeakPolarHBondContact O-CG 3.36Å; V231-E235 PolarHBondContact O-N 3.5Å; A232-E235 PolarHBondContact O-N 3.25Å; E235-K237 VanDerWaalsContact C-N 3.34Å; E235-K237 PolarHBondContact O-N 3.37Å; E235-A238 PolarHBondContact O-N 2.95Å; E235-H239 PolarHBondContact O-N 3.36Å
236	A	93.5	Very high	92.6	Very high	51 Å²	51	88.7 Å²	88.7	42%	0.421	51%	0.511	S	S	.	.	H	α-helix	trans	-60.1	-44.8	174.6	0	0	0	0	0	111.4	A232 D233 A238 H239 D240	A232-A236 WeakPolarHBondContact O-CB 3.47Å; A232-A236 PolarHBondContact O-N 3.02Å; D233-A236 PolarHBondContact O-N 3.04Å; A236-A238 PolarHBondContact O-N 3.34Å; A236-H239 PolarHBondContact O-N 3.49Å; A236-D240 PolarHBondContact O-N 2.64Å
237	K	93.5	Very high	92.8	Very high	152 Å²	152	90.4 Å²	90.4	66%	0.661	51%	0.51	S	S	*	.	H	α-helix	trans	-65.2	-36.5	176.2	-173.1	174.1	-177.8	177.1	0	112.9	D233 A234 E235 A241	D233-K237 WeakPolarHBondContact O-CB 3.39Å; D233-K237 PolarHBondContact O-N 3.17Å; A234-K237 PolarHBondContact O-N 3.07Å; E235-K237 VanDerWaalsContact C-N 3.34Å; E235-K237 PolarHBondContact O-N 3.37Å; K237-A241 WeakPolarHBondContact O-CB 3.33Å; K237-A241 PolarHBondContact O-N 2.99Å
238	A	92.5	Very high	92.9	Very high	61 Å²	61	90.6 Å²	90.6	50%	0.504	51%	0.512	S	S	.	.	H	α-helix	trans	-67	-39.1	175.8	0	0	0	0	0	111.8	A234 E235 A236 A241 H242	A234-A238 WeakPolarHBondContact O-CB 3.49Å; A234-A238 PolarHBondContact O-N 2.98Å; E235-A238 PolarHBondContact O-N 2.95Å; A236-A238 PolarHBondContact O-N 3.34Å; A238-A241 PolarHBondContact O-N 3.06Å; A238-H242 PolarHBondContact O-N 2.82Å
239	H	93.1	Very high	93.1	Very high	111 Å²	111	93.4 Å²	93.4	51%	0.514	52%	0.515	S	S	.	.	H	α-helix	trans	-62.8	-48.8	173.4	-176.9	-74.6	0	0	0	111.5	E235 A236 A241 H242 D243	E235-H239 PolarHBondContact O-N 3.36Å; A236-H239 PolarHBondContact O-N 3.49Å; H239-A241 VanDerWaalsContact C-N 3.29Å; H239-A241 PolarHBondContact O-N 3.47Å; H239-H242 WeakPolarHBondContact O-CB 3.28Å; H239-H242 PolarHBondContact O-N 2.84Å; H239-H242 VanDerWaalsContact O-N 3.13Å; H239-D243 IonicContact CE1-OD1 2.65Å; H239-D243 IonicContact CE1-OD2 3.73Å; H239-D243 PolarHBondContact CE1-OD2 3.33Å; H239-D243 IonicContact ND1-OD2 2.99Å; H239-D243 PolarHBondContact ND1-OD2 3.41Å; H239-D243 PolarHBondContact O-N 3.27Å
240	D	89.2	Confident	93.3	Very high	95 Å²	95	94.7 Å²	94.7	51%	0.508	51%	0.509	S	S	.	.	H	α-helix	trans	-60.4	-39	177.7	-72.5	-12.9	0	0	0	112	A236 D243 Q244	A236-D240 PolarHBondContact O-N 2.64Å; D240-D243 PolarHBondContact O-N 3.44Å; D240-Q244 VanDerWaalsContact O-CG 3.29Å; D240-Q244 WeakPolarHBondContact O-CG 3.03Å; D240-Q244 PolarHBondContact O-N 3.44Å
241	A	94.3	Very high	93.4	Very high	46 Å²	46	91.9 Å²	91.9	38%	0.38	50%	0.5	S	S	.	.	H	α-helix	trans	-65.3	-40.8	175.1	0	0	0	0	0	111.9	K237 A238 H239 Q244 T245	K237-A241 WeakPolarHBondContact O-CB 3.33Å; K237-A241 PolarHBondContact O-N 2.99Å; A238-A241 PolarHBondContact O-N 3.06Å; H239-A241 VanDerWaalsContact C-N 3.29Å; H239-A241 PolarHBondContact O-N 3.47Å; A241-Q244 PolarHBondContact O-N 2.98Å; A241-T245 WeakPolarHBondContact O-CG2 3.26Å; A241-T245 PolarHBondContact O-N 3.24Å; A241-T245 PolarHBondContact O-OG1 3.19Å
242	H	94.5	Very high	93.5	Very high	107 Å²	107	94 Å²	94	50%	0.495	50%	0.503	S	S	.	.	H	α-helix	trans	-62.7	-46.2	175.3	179.4	57.7	0	0	0	111.8	A238 H239 Q244 T245 M246	A238-H242 PolarHBondContact O-N 2.82Å; H239-H242 WeakPolarHBondContact O-CB 3.28Å; H239-H242 PolarHBondContact O-N 2.84Å; H239-H242 VanDerWaalsContact O-N 3.13Å; H242-Q244 VanDerWaalsContact C-N 3.28Å; H242-Q244 PolarHBondContact O-N 3.24Å; H242-T245 WeakPolarHBondContact CA-OG1 3.41Å; H242-T245 PolarHBondContact O-N 2.75Å; H242-T245 VanDerWaalsContact O-N 3.07Å; H242-T245 PolarHBondContact O-OG1 2.83Å; H242-M246 WeakPolarHBondContact O-CG 3.35Å; H242-M246 PolarHBondContact O-N 3.5Å
243	D	90.6	Very high	93.6	Very high	78 Å²	78	97.6 Å²	97.6	42%	0.417	51%	0.508	S	S	.	.	H	α-helix	trans	-59.9	-39.7	176.9	-75.1	-15	0	0	0	111.9	H239 D240 M246 E247	H239-D243 IonicContact CE1-OD1 2.65Å; H239-D243 IonicContact CE1-OD2 3.73Å; H239-D243 PolarHBondContact CE1-OD2 3.33Å; H239-D243 IonicContact ND1-OD2 2.99Å; H239-D243 PolarHBondContact ND1-OD2 3.41Å; H239-D243 PolarHBondContact O-N 3.27Å; D240-D243 PolarHBondContact O-N 3.44Å; D243-M246 PolarHBondContact O-N 3.22Å; D243-E247 PolarHBondContact O-N 2.82Å
244	Q	93.5	Very high	93.9	Very high	143 Å²	143	96.9 Å²	96.9	67%	0.668	50%	0.502	S	S	*	.	H	α-helix	trans	-63.6	-40.5	174	-74.2	176	7.7	0	0	112.3	D240 A241 H242 A248	D240-Q244 VanDerWaalsContact O-CG 3.29Å; D240-Q244 WeakPolarHBondContact O-CG 3.03Å; D240-Q244 PolarHBondContact O-N 3.44Å; A241-Q244 PolarHBondContact O-N 2.98Å; H242-Q244 VanDerWaalsContact C-N 3.28Å; H242-Q244 PolarHBondContact O-N 3.24Å; Q244-A248 WeakPolarHBondContact O-CB 3.34Å; Q244-A248 PolarHBondContact O-N 3.45Å
245	T	95.3	Very high	94	Very high	72 Å²	72	96.4 Å²	96.4	44%	0.442	50%	0.498	S	S	.	.	H	α-helix	trans	-64.5	-41.3	175.5	55.3	0	0	0	0	112	A241 H242 E247 A248 E249	A241-T245 WeakPolarHBondContact O-CG2 3.26Å; A241-T245 PolarHBondContact O-N 3.24Å; A241-T245 PolarHBondContact O-OG1 3.19Å; H242-T245 WeakPolarHBondContact CA-OG1 3.41Å; H242-T245 PolarHBondContact O-N 2.75Å; H242-T245 VanDerWaalsContact O-N 3.07Å; H242-T245 PolarHBondContact O-OG1 2.83Å; T245-E247 PolarHBondContact O-N 3.06Å; T245-A248 PolarHBondContact O-N 2.87Å; T245-E249 WeakPolarHBondContact O-CG 3.46Å; T245-E249 PolarHBondContact O-N 3.09Å
246	M	95.4	Very high	94.2	Very high	91 Å²	91	94.5 Å²	94.5	45%	0.448	49%	0.49	S	S	.	.	H	α-helix	trans	-65	-40.1	178.5	-67.1	-55	-52	0	0	112.5	H242 D243 R250	H242-M246 WeakPolarHBondContact O-CG 3.35Å; H242-M246 PolarHBondContact O-N 3.5Å; D243-M246 PolarHBondContact O-N 3.22Å; M246-R250 WeakPolarHBondContact O-CB 3.49Å; M246-R250 PolarHBondContact O-N 3.5Å
247	E	92.7	Very high	94.3	Very high	84 Å²	84	96.7 Å²	96.7	39%	0.393	49%	0.494	S	S	.	.	H	α-helix	trans	-70.7	-36.5	175.2	-176.5	59.2	-158.5	0	0	111.8	D243 T245 R250 I251	D243-E247 PolarHBondContact O-N 2.82Å; T245-E247 PolarHBondContact O-N 3.06Å; E247-R250 WeakPolarHBondContact O-CB 3.34Å; E247-R250 PolarHBondContact O-N 3.33Å; E247-R250 IonicContact OE1-CZ 3.86Å; E247-R250 IonicContact OE1-NE 2.92Å; E247-R250 PolarHBondContact OE1-NE 3.49Å; E247-R250 VanDerWaalsContact OE1-NE 3.09Å; E247-R250 IonicContact OE1-NH2 3.3Å; E247-R250 PolarHBondContact OE1-NH2 3.27Å; E247-R250 IonicContact OE2-CZ 3.26Å; E247-R250 IonicContact OE2-NE 3.75Å; E247-R250 PolarHBondContact OE2-NE 3.04Å; E247-I251 HydrophobicContact CG-CD1 4.01Å; E247-I251 HydrophobicContact CG-CG1 4.49Å; E247-I251 WeakPolarHBondContact O-CG1 3.43Å; E247-I251 PolarHBondContact O-N 2.92Å
248	A	95.2	Very high	94.4	Very high	58 Å²	58	93.9 Å²	93.9	48%	0.479	49%	0.49	S	S	.	.	H	α-helix	trans	-62.3	-43.4	174.4	0	0	0	0	0	111.7	Q244 T245 R250 I251 F252	Q244-A248 WeakPolarHBondContact O-CB 3.34Å; Q244-A248 PolarHBondContact O-N 3.45Å; T245-A248 PolarHBondContact O-N 2.87Å; A248-R250 VanDerWaalsContact C-N 3.34Å; A248-R250 PolarHBondContact O-N 3.26Å; A248-I251 PolarHBondContact O-N 3.2Å; A248-F252 WeakPolarHBondContact O-CB 3.32Å; A248-F252 PolarHBondContact O-N 3.17Å
249	E	94.5	Very high	94.6	Very high	119 Å²	119	96.9 Å²	96.9	56%	0.556	49%	0.493	S	S	*	.	H	α-helix	trans	-61.5	-40.9	173.3	-74.8	-178.4	177	0	0	112	T245 I251 F252 K253	T245-E249 WeakPolarHBondContact O-CG 3.46Å; T245-E249 PolarHBondContact O-N 3.09Å; E249-I251 PolarHBondContact O-N 3.34Å; E249-F252 PolarHBondContact O-N 2.99Å; E249-K253 PolarHBondContact O-N 2.93Å
250	R	97.1	Very high	94.6	Very high	128 Å²	128	94.6 Å²	94.6	48%	0.483	49%	0.49	S	S	.	.	H	α-helix	trans	-62	-44	176.4	-164.2	-170	78.9	73.3	7.9	111.8	M246 E247 A248 M254	M246-R250 WeakPolarHBondContact O-CB 3.49Å; M246-R250 PolarHBondContact O-N 3.5Å; E247-R250 WeakPolarHBondContact O-CB 3.34Å; E247-R250 PolarHBondContact O-N 3.33Å; E247-R250 IonicContact OE1-CZ 3.86Å; E247-R250 IonicContact OE1-NE 2.92Å; E247-R250 PolarHBondContact OE1-NE 3.49Å; E247-R250 VanDerWaalsContact OE1-NE 3.09Å; E247-R250 IonicContact OE1-NH2 3.3Å; E247-R250 PolarHBondContact OE1-NH2 3.27Å; E247-R250 IonicContact OE2-CZ 3.26Å; E247-R250 IonicContact OE2-NE 3.75Å; E247-R250 PolarHBondContact OE2-NE 3.04Å; A248-R250 VanDerWaalsContact C-N 3.34Å; A248-R250 PolarHBondContact O-N 3.26Å; R250-M254 PolarHBondContact NH1-SD 2.87Å; R250-M254 WeakPolarHBondContact O-CG 3.39Å; R250-M254 PolarHBondContact O-N 2.94Å
251	I	96	Very high	94.8	Very high	94 Å²	94	95.7 Å²	95.7	48%	0.482	50%	0.495	S	S	.	.	H	α-helix	trans	-67.5	-41	177.7	-68.1	168.1	0	0	0	110.5	E247 A248 E249 M254 A255	E247-I251 HydrophobicContact CG-CD1 4.01Å; E247-I251 HydrophobicContact CG-CG1 4.49Å; E247-I251 WeakPolarHBondContact O-CG1 3.43Å; E247-I251 PolarHBondContact O-N 2.92Å; A248-I251 PolarHBondContact O-N 3.2Å; E249-I251 PolarHBondContact O-N 3.34Å; I251-M254 PolarHBondContact O-N 3.03Å; I251-A255 PolarHBondContact O-N 3.45Å
252	F	94	Very high	94.9	Very high	128 Å²	128	99.4 Å²	99.4	56%	0.561	51%	0.508	S	S	*	.	H	α-helix	trans	-61	-47.6	177.6	-174.9	-100.9	0	0	0	111.6	A248 E249 M254 A255 E256	A248-F252 WeakPolarHBondContact O-CB 3.32Å; A248-F252 PolarHBondContact O-N 3.17Å; E249-F252 PolarHBondContact O-N 2.99Å; F252-M254 VanDerWaalsContact C-N 3.32Å; F252-M254 PolarHBondContact O-N 2.95Å; F252-A255 WeakPolarHBondContact O-CA 3.42Å; F252-A255 WeakPolarHBondContact O-CB 3.02Å; F252-A255 PolarHBondContact O-N 3.17Å; F252-E256 HydrophobicContact CD1-CG 4.24Å; F252-E256 HydrophobicContact CE1-CG 3.88Å; F252-E256 WeakPolarHBondContact CE1-OE1 3.43Å; F252-E256 HydrophobicContact CZ-CG 4.1Å; F252-E256 WeakPolarHBondContact CZ-OE1 3.35Å; F252-E256 PolarHBondContact O-N 3.29Å
253	K	95.1	Very high	94.9	Very high	130 Å²	130	98.4 Å²	98.4	57%	0.565	51%	0.505	S	S	*	.	H	α-helix	trans	-57.4	-43.3	175.1	-175.7	173.2	-176.9	172.2	0	112.5	E249 A255 E256 D257	E249-K253 PolarHBondContact O-N 2.93Å; K253-A255 VanDerWaalsContact C-N 3.32Å; K253-A255 PolarHBondContact O-N 2.94Å; K253-E256 PolarHBondContact O-N 3.34Å; K253-D257 PolarHBondContact O-N 3Å
254	M	96.5	Very high	94.9	Very high	99 Å²	99	99 Å²	99	49%	0.488	51%	0.507	S	S	.	.	H	α-helix	trans	-64	-37.4	175.6	-72.1	-176.6	67.7	0	0	112.3	R250 I251 F252 D257 T258	R250-M254 PolarHBondContact NH1-SD 2.87Å; R250-M254 WeakPolarHBondContact O-CG 3.39Å; R250-M254 PolarHBondContact O-N 2.94Å; I251-M254 PolarHBondContact O-N 3.03Å; F252-M254 VanDerWaalsContact C-N 3.32Å; F252-M254 PolarHBondContact O-N 2.95Å; M254-D257 PolarHBondContact O-N 3.25Å; M254-T258 VanDerWaalsContact O-CG2 3.32Å; M254-T258 WeakPolarHBondContact O-CG2 3.38Å; M254-T258 PolarHBondContact O-N 3.46Å; M254-T258 PolarHBondContact O-OG1 3.03Å
255	A	96.7	Very high	94.9	Very high	47 Å²	47	94.4 Å²	94.4	39%	0.388	49%	0.494	S	S	.	.	H	α-helix	trans	-65	-45.6	177	0	0	0	0	0	111.2	I251 F252 K253 D257 T258 E259	I251-A255 PolarHBondContact O-N 3.45Å; F252-A255 WeakPolarHBondContact O-CA 3.42Å; F252-A255 WeakPolarHBondContact O-CB 3.02Å; F252-A255 PolarHBondContact O-N 3.17Å; K253-A255 VanDerWaalsContact C-N 3.32Å; K253-A255 PolarHBondContact O-N 2.94Å; A255-D257 PolarHBondContact O-N 3.41Å; A255-T258 WeakPolarHBondContact CA-OG1 3.5Å; A255-T258 PolarHBondContact O-N 2.71Å; A255-T258 VanDerWaalsContact O-N 3.17Å; A255-T258 PolarHBondContact O-OG1 2.87Å; A255-E259 PolarHBondContact O-N 2.84Å
256	E	95.6	Very high	94.9	Very high	91 Å²	91	93.7 Å²	93.7	43%	0.425	50%	0.496	S	S	.	.	H	α-helix	trans	-60.1	-42.6	175.2	-69	-176.5	136.6	0	0	112.3	F252 K253 T258 E259 S260	F252-E256 HydrophobicContact CD1-CG 4.24Å; F252-E256 HydrophobicContact CE1-CG 3.88Å; F252-E256 WeakPolarHBondContact CE1-OE1 3.43Å; F252-E256 HydrophobicContact CZ-CG 4.1Å; F252-E256 WeakPolarHBondContact CZ-OE1 3.35Å; F252-E256 PolarHBondContact O-N 3.29Å; K253-E256 PolarHBondContact O-N 3.34Å; E256-T258 VanDerWaalsContact C-N 3.32Å; E256-T258 PolarHBondContact O-N 3.36Å; E256-E259 PolarHBondContact O-N 2.89Å; E256-S260 WeakPolarHBondContact O-CB 3.32Å; E256-S260 PolarHBondContact O-N 3.49Å; E256-S260 PolarHBondContact O-OG 3.46Å
257	D	94.2	Very high	94.7	Very high	97 Å²	97	93.9 Å²	93.9	52%	0.519	50%	0.495	S	S	.	.	H	α-helix	trans	-61.3	-41.6	175.3	-74	-20.1	0	0	0	111.1	K253 M254 A255 L261	K253-D257 PolarHBondContact O-N 3Å; M254-D257 PolarHBondContact O-N 3.25Å; A255-D257 PolarHBondContact O-N 3.41Å; D257-L261 WeakPolarHBondContact O-CB 3.36Å; D257-L261 PolarHBondContact O-N 3.22Å
258	T	95.9	Very high	94.7	Very high	92 Å²	92	91.8 Å²	91.8	56%	0.564	49%	0.486	S	S	*	.	H	α-helix	trans	-70.1	-37.2	177.8	56.8	0	0	0	0	113.2	M254 A255 E256 L261 L262	M254-T258 VanDerWaalsContact O-CG2 3.32Å; M254-T258 WeakPolarHBondContact O-CG2 3.38Å; M254-T258 PolarHBondContact O-N 3.46Å; M254-T258 PolarHBondContact O-OG1 3.03Å; A255-T258 WeakPolarHBondContact CA-OG1 3.5Å; A255-T258 PolarHBondContact O-N 2.71Å; A255-T258 VanDerWaalsContact O-N 3.17Å; A255-T258 PolarHBondContact O-OG1 2.87Å; E256-T258 VanDerWaalsContact C-N 3.32Å; E256-T258 PolarHBondContact O-N 3.36Å; T258-L261 PolarHBondContact O-N 3.23Å; T258-L262 WeakPolarHBondContact O-CB 3.36Å; T258-L262 PolarHBondContact O-N 3.41Å
259	E	96.5	Very high	94.6	Very high	125 Å²	125	97.5 Å²	97.5	58%	0.584	50%	0.497	S	S	*	.	H	α-helix	trans	-66.6	-43	175.2	-175.7	170.9	-155.7	0	0	110.7	A255 E256 L261 L262 I263	A255-E259 PolarHBondContact O-N 2.84Å; E256-E259 PolarHBondContact O-N 2.89Å; E259-L261 VanDerWaalsContact C-N 3.32Å; E259-L261 PolarHBondContact O-N 2.91Å; E259-L262 WeakPolarHBondContact O-CB 3.47Å; E259-L262 PolarHBondContact O-N 3.02Å; E259-L262 VanDerWaalsContact O-N 3.14Å; E259-I263 HydrophobicContact CG-CD1 4.24Å; E259-I263 WeakPolarHBondContact O-CG1 3.49Å; E259-I263 PolarHBondContact O-N 2.94Å
260	S	94.6	Very high	94.5	Very high	63 Å²	63	95.1 Å²	95.1	44%	0.441	49%	0.488	S	S	.	.	H	α-helix	trans	-58.5	-43.8	174.1	-61.1	0	0	0	0	111.8	E256 I263 I264	E256-S260 WeakPolarHBondContact O-CB 3.32Å; E256-S260 PolarHBondContact O-N 3.49Å; E256-S260 PolarHBondContact O-OG 3.46Å; S260-I263 PolarHBondContact O-N 3.43Å; S260-I264 WeakPolarHBondContact O-CG1 3.33Å; S260-I264 PolarHBondContact O-N 3.25Å; S260-I264 VanDerWaalsContact O-N 3.08Å
261	L	93.5	Very high	94.3	Very high	117 Å²	117	93.7 Å²	93.7	61%	0.613	48%	0.482	S	S	*	.	H	α-helix	trans	-64.4	-39.5	175.9	-178.5	62	0	0	0	112.2	D257 T258 E259 I264 A265	D257-L261 WeakPolarHBondContact O-CB 3.36Å; D257-L261 PolarHBondContact O-N 3.22Å; T258-L261 PolarHBondContact O-N 3.23Å; E259-L261 VanDerWaalsContact C-N 3.32Å; E259-L261 PolarHBondContact O-N 2.91Å; L261-I264 PolarHBondContact O-N 3.41Å; L261-A265 WeakPolarHBondContact O-CB 3.48Å; L261-A265 PolarHBondContact O-N 3.4Å
262	L	95.1	Very high	94	Very high	124 Å²	124	92.5 Å²	92.5	65%	0.649	48%	0.482	S	S	*	.	H	α-helix	trans	-64.5	-42.8	177.8	-176.6	65.8	0	0	0	111.5	T258 E259 A265 A266	T258-L262 WeakPolarHBondContact O-CB 3.36Å; T258-L262 PolarHBondContact O-N 3.41Å; E259-L262 WeakPolarHBondContact O-CB 3.47Å; E259-L262 PolarHBondContact O-N 3.02Å; E259-L262 VanDerWaalsContact O-N 3.14Å; L262-A265 PolarHBondContact O-N 3.01Å; L262-A266 WeakPolarHBondContact O-CB 3.42Å; L262-A266 PolarHBondContact O-N 3.31Å
263	I	94.7	Very high	94	Very high	87 Å²	87	90 Å²	90	45%	0.446	48%	0.48	S	S	.	.	H	α-helix	trans	-59.2	-49.7	175.4	-68.9	166.8	0	0	0	110.1	E259 S260 A265 A266 E267	E259-I263 HydrophobicContact CG-CD1 4.24Å; E259-I263 WeakPolarHBondContact O-CG1 3.49Å; E259-I263 PolarHBondContact O-N 2.94Å; S260-I263 PolarHBondContact O-N 3.43Å; I263-A265 VanDerWaalsContact C-N 3.32Å; I263-A265 PolarHBondContact O-N 2.96Å; I263-A266 PolarHBondContact O-N 2.97Å; I263-E267 PolarHBondContact O-N 3.31Å
264	I	91.6	Very high	93.9	Very high	89 Å²	89	90.6 Å²	90.6	46%	0.456	48%	0.479	S	S	.	.	H	α-helix	trans	-59.3	-44.5	177.9	-68.5	166.7	0	0	0	110.9	S260 L261 A266 E267 I268	S260-I264 WeakPolarHBondContact O-CG1 3.33Å; S260-I264 PolarHBondContact O-N 3.25Å; S260-I264 VanDerWaalsContact O-N 3.08Å; L261-I264 PolarHBondContact O-N 3.41Å; I264-A266 VanDerWaalsContact C-N 3.34Å; I264-A266 PolarHBondContact O-N 3.14Å; I264-E267 PolarHBondContact O-N 2.98Å; I264-I268 HydrophobicContact CG2-CD1 3.63Å; I264-I268 HydrophobicContact CG2-CG1 4.4Å; I264-I268 WeakPolarHBondContact O-CD1 3.22Å; I264-I268 VanDerWaalsContact O-CG1 3.22Å; I264-I268 WeakPolarHBondContact O-CG1 3.33Å; I264-I268 PolarHBondContact O-N 3.08Å
265	A	93.1	Very high	93.6	Very high	48 Å²	48	89 Å²	89	40%	0.397	49%	0.488	S	S	.	.	H	α-helix	trans	-62.3	-40.6	178.3	0	0	0	0	0	112.4	L261 L262 I263 I268 Y269	L261-A265 WeakPolarHBondContact O-CB 3.48Å; L261-A265 PolarHBondContact O-N 3.4Å; L262-A265 PolarHBondContact O-N 3.01Å; I263-A265 VanDerWaalsContact C-N 3.32Å; I263-A265 PolarHBondContact O-N 2.96Å; A265-I268 PolarHBondContact O-N 3.07Å; A265-Y269 WeakPolarHBondContact O-CB 3.44Å; A265-Y269 PolarHBondContact O-N 3.38Å
266	A	94.5	Very high	93.2	Very high	57 Å²	57	91.3 Å²	91.3	47%	0.471	49%	0.491	S	S	.	.	H	α-helix	trans	-64.5	-42.7	175.9	0	0	0	0	0	111.8	L262 I263 I264 Y269 D270	L262-A266 WeakPolarHBondContact O-CB 3.42Å; L262-A266 PolarHBondContact O-N 3.31Å; I263-A266 PolarHBondContact O-N 2.97Å; I264-A266 VanDerWaalsContact C-N 3.34Å; I264-A266 PolarHBondContact O-N 3.14Å; A266-Y269 PolarHBondContact O-N 3.42Å; A266-D270 WeakPolarHBondContact O-CB 3.42Å; A266-D270 PolarHBondContact O-N 3.31Å
267	E	92.7	Very high	92.4	Very high	95 Å²	95	94.8 Å²	94.8	44%	0.444	51%	0.51	S	S	.	.	H	α-helix	trans	-62	-42.7	175.1	-72.8	-174.5	-166	0	0	112.5	I263 I264 D270 R271	I263-E267 PolarHBondContact O-N 3.31Å; I264-E267 PolarHBondContact O-N 2.98Å; E267-D270 PolarHBondContact O-N 3.35Å; E267-R271 WeakPolarHBondContact O-CG 3.45Å; E267-R271 PolarHBondContact O-N 3.46Å; E267-R271 IonicContact OE2-NH2 3.07Å; E267-R271 PolarHBondContact OE2-NH2 2.97Å
268	I	91.7	Very high	91.5	Very high	39 Å²	39	92 Å²	92	20%	0.2	50%	0.497	C	S	.	.	H	α-helix	trans	-63	-46.7	177.1	-66.5	157	0	0	0	110.1	I264 A265 D270 R271 C272 T278 L280	I264-I268 HydrophobicContact CG2-CD1 3.63Å; I264-I268 HydrophobicContact CG2-CG1 4.4Å; I264-I268 WeakPolarHBondContact O-CD1 3.22Å; I264-I268 VanDerWaalsContact O-CG1 3.22Å; I264-I268 WeakPolarHBondContact O-CG1 3.33Å; I264-I268 PolarHBondContact O-N 3.08Å; A265-I268 PolarHBondContact O-N 3.07Å; I268-D270 VanDerWaalsContact C-N 3.31Å; I268-D270 PolarHBondContact O-N 3.2Å; I268-R271 PolarHBondContact O-N 2.91Å; I268-C272 WeakPolarHBondContact O-CB 3.43Å; I268-C272 PolarHBondContact O-N 2.96Å; I268-C272 PolarHBondContact O-SG 3.36Å; I268-T278 HydrophobicContact CG1-CG2 4.27Å; I268-L280 HydrophobicContact CD1-CD1 4.27Å; I268-L280 HydrophobicContact CD1-CD2 3.34Å; I268-L280 HydrophobicContact CD1-CG 4.43Å; I268-L280 HydrophobicContact CG1-CD2 3.85Å
269	Y	92.6	Very high	90.7	Very high	178 Å²	178	93.1 Å²	93.1	70%	0.698	50%	0.504	S	S	*	.	H	α-helix	trans	-57.7	-46	178	174.8	-95.6	0	0	0	111.6	A265 A266 C272 S273	A265-Y269 WeakPolarHBondContact O-CB 3.44Å; A265-Y269 PolarHBondContact O-N 3.38Å; A266-Y269 PolarHBondContact O-N 3.42Å; Y269-C272 PolarHBondContact O-N 2.88Å; Y269-S273 WeakPolarHBondContact O-CB 3.37Å; Y269-S273 PolarHBondContact O-N 3.4Å
270	D	93.7	Very high	89.6	Confident	70 Å²	70	92.7 Å²	92.7	37%	0.374	51%	0.505	S	S	.	.	H	α-helix	trans	-64	-42.7	-179.8	-170.2	40.7	0	0	0	112	A266 E267 I268 S273 R274	A266-D270 WeakPolarHBondContact O-CB 3.42Å; A266-D270 PolarHBondContact O-N 3.31Å; E267-D270 PolarHBondContact O-N 3.35Å; I268-D270 VanDerWaalsContact C-N 3.31Å; I268-D270 PolarHBondContact O-N 3.2Å; D270-S273 PolarHBondContact O-N 3.02Å; D270-S273 PolarHBondContact O-OG 2.6Å; D270-R274 VanDerWaalsContact CG-CZ 3.5Å; D270-R274 VanDerWaalsContact CG-NH2 3.26Å; D270-R274 PolarHBondContact O-N 2.91Å; D270-R274 IonicContact OD1-CZ 3.55Å; D270-R274 IonicContact OD1-NH1 2.77Å; D270-R274 PolarHBondContact OD1-NH1 3.42Å; D270-R274 IonicContact OD1-NH2 3.75Å; D270-R274 IonicContact OD2-CZ 3.15Å; D270-R274 IonicContact OD2-NH1 2.91Å; D270-R274 PolarHBondContact OD2-NH1 2.9Å; D270-R274 IonicContact OD2-NH2 2.6Å; D270-R274 PolarHBondContact OD2-NH2 2.68Å
271	R	91.3	Very high	88.5	Confident	97 Å²	97	95.1 Å²	95.1	37%	0.366	52%	0.517	S	S	.	.	H	α-helix	trans	-63.1	-46.4	172.7	-69.5	-179.9	-154.5	171.6	9	112.4	E267 I268 S273 R274 G275 E276	E267-R271 WeakPolarHBondContact O-CG 3.45Å; E267-R271 PolarHBondContact O-N 3.46Å; E267-R271 IonicContact OE2-NH2 3.07Å; E267-R271 PolarHBondContact OE2-NH2 2.97Å; I268-R271 PolarHBondContact O-N 2.91Å; R271-S273 VanDerWaalsContact C-N 3.27Å; R271-S273 PolarHBondContact O-N 3.07Å; R271-R274 PolarHBondContact O-N 2.77Å; R271-R274 VanDerWaalsContact O-N 3.08Å; R271-G275 PolarHBondContact O-N 3.27Å; R271-E276 HydrophobicContact CB-CB 4.18Å; R271-E276 WeakPolarHBondContact O-CB 3.37Å; R271-E276 PolarHBondContact O-N 3.03Å; R271-E276 VanDerWaalsContact O-N 3.08Å
272	C	91.3	Very high	86.9	Confident	69 Å²	69	95.3 Å²	95.3	47%	0.466	53%	0.525	S	S	.	.	H	α-helix	trans	-61.9	-35.7	177.3	-71.1	0	0	0	0	112.2	I268 Y269 R274 G275	I268-C272 WeakPolarHBondContact O-CB 3.43Å; I268-C272 PolarHBondContact O-N 2.96Å; I268-C272 PolarHBondContact O-SG 3.36Å; Y269-C272 PolarHBondContact O-N 2.88Å; C272-R274 PolarHBondContact O-N 3.42Å; C272-G275 PolarHBondContact O-N 2.97Å
273	S	93.4	Very high	85.2	Confident	76 Å²	76	94.9 Å²	94.9	53%	0.531	53%	0.527	S	S	.	.	H	α-helix	trans	-64.6	-25.5	176.3	80.3	0	0	0	0	113.3	Y269 D270 R271 G275	Y269-S273 WeakPolarHBondContact O-CB 3.37Å; Y269-S273 PolarHBondContact O-N 3.4Å; D270-S273 PolarHBondContact O-N 3.02Å; D270-S273 PolarHBondContact O-OG 2.6Å; R271-S273 VanDerWaalsContact C-N 3.27Å; R271-S273 PolarHBondContact O-N 3.07Å; S273-G275 VanDerWaalsContact C-N 3.32Å
274	R	93.8	Very high	83.1	Confident	143 Å²	143	94.9 Å²	94.9	54%	0.54	54%	0.54	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-0.2	173.8	-69.4	-170.1	-84.2	-88.7	6.1	113.9	D270 R271 C272 E276	D270-R274 VanDerWaalsContact CG-CZ 3.5Å; D270-R274 VanDerWaalsContact CG-NH2 3.26Å; D270-R274 PolarHBondContact O-N 2.91Å; D270-R274 IonicContact OD1-CZ 3.55Å; D270-R274 IonicContact OD1-NH1 2.77Å; D270-R274 PolarHBondContact OD1-NH1 3.42Å; D270-R274 IonicContact OD1-NH2 3.75Å; D270-R274 IonicContact OD2-CZ 3.15Å; D270-R274 IonicContact OD2-NH1 2.91Å; D270-R274 PolarHBondContact OD2-NH1 2.9Å; D270-R274 IonicContact OD2-NH2 2.6Å; D270-R274 PolarHBondContact OD2-NH2 2.68Å; R271-R274 PolarHBondContact O-N 2.77Å; R271-R274 VanDerWaalsContact O-N 3.08Å; C272-R274 PolarHBondContact O-N 3.42Å; R274-E276 VanDerWaalsContact C-N 3.34Å; R274-E276 HydrophobicContact CB-CG 4.47Å; R274-E276 IonicContact NE-OE1 3.9Å
275	G	90	Very high	80.9	Confident	65 Å²	65	99.9 Å²	99.9	67%	0.67	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	81.3	12.2	-176.5	0	0	0	0	0	113.9	R271 C272 S273	R271-G275 PolarHBondContact O-N 3.27Å; C272-G275 PolarHBondContact O-N 2.97Å; S273-G275 VanDerWaalsContact C-N 3.32Å
276	E	86.9	Confident	78.5	Confident	96 Å²	96	108.3 Å²	108.3	45%	0.449	58%	0.583	S	S	.	*			trans	-80.2	126.4	175.4	-63.5	172.2	-156	0	0	110.4	R271 R274 T278	R271-E276 HydrophobicContact CB-CB 4.18Å; R271-E276 WeakPolarHBondContact O-CB 3.37Å; R271-E276 PolarHBondContact O-N 3.03Å; R271-E276 VanDerWaalsContact O-N 3.08Å; R274-E276 VanDerWaalsContact C-N 3.34Å; R274-E276 HydrophobicContact CB-CG 4.47Å; R274-E276 IonicContact NE-OE1 3.9Å; E276-T278 PolarHBondContact O-N 3.31Å
277	I	78.6	Confident	75.7	Confident	164 Å²	164	114.8 Å²	114.8	84%	0.841	60%	0.604	S	S	*	*			trans	-78.1	109	175.5	-60.4	170.3	0	0	0	108.2
278	T	76.2	Confident	73.2	Confident	37 Å²	37	121.3 Å²	121.3	23%	0.227	64%	0.639	C	S	.	*			trans	-99.1	113.4	176.4	-60.8	0	0	0	0	110.3	I268 E276 L280	I268-T278 HydrophobicContact CG1-CG2 4.27Å; E276-T278 PolarHBondContact O-N 3.31Å; T278-L280 HydrophobicContact CG2-CD2 4.2Å
279	T	78.6	Confident	72.3	Confident	116 Å²	116	125.4 Å²	125.4	71%	0.712	66%	0.661	S	S	*	*			trans	-82.8	116.1	174	-53.2	0	0	0	0	110	V281	T279-V281 PolarHBondContact O-N 3.34Å
280	L	74.1	Confident	71.2	Confident	117 Å²	117	122.6 Å²	122.6	61%	0.613	66%	0.659	S	S	*	*			trans	-82.4	109.4	172.9	-57.4	-178.5	0	0	0	109.5	I268 T278 P282	I268-L280 HydrophobicContact CD1-CD1 4.27Å; I268-L280 HydrophobicContact CD1-CD2 3.34Å; I268-L280 HydrophobicContact CD1-CG 4.43Å; I268-L280 HydrophobicContact CG1-CD2 3.85Å; T278-L280 HydrophobicContact CG2-CD2 4.2Å; L280-P282 WeakPolarHBondContact O-CD 3.4Å
281	V	71.5	Confident	70	Confident	114 Å²	114	125.6 Å²	125.6	69%	0.691	68%	0.675	S	S	*	*			trans	-87	116.8	169.3	-175.9	0	0	0	0	107.4	T279 V283	T279-V281 PolarHBondContact O-N 3.34Å; V281-V283 PolarHBondContact O-N 3.44Å
282	P	59.3	Low	68.7	Low	121 Å²	121	127.2 Å²	127.2	79%	0.786	69%	0.693	S	S	*	*			trans	-67.5	104.3	174.6	24.3	-26.5	0	0	0	108.2	L280 A284	L280-P282 WeakPolarHBondContact O-CD 3.4Å; P282-A284 PolarHBondContact O-N 3.08Å
283	V	59.1	Low	67.3	Low	114 Å²	114	130.9 Å²	130.9	69%	0.691	71%	0.707	S	S	*	*			trans	-69.5	99.9	167	174	0	0	0	0	106.2	V281 Q285	V281-V283 PolarHBondContact O-N 3.44Å; V283-Q285 PolarHBondContact O-N 3.35Å
284	A	50.9	Low	65.6	Low	87 Å²	87	134.5 Å²	134.5	72%	0.719	72%	0.719	S	S	*	*			trans	-52.2	125.5	165.5	0	0	0	0	0	107.7	P282 R286	P282-A284 PolarHBondContact O-N 3.08Å; A284-R286 PolarHBondContact O-N 3.36Å; A284-R286 VanDerWaalsContact O-N 3.07Å
285	Q	46.7	Very low	63.5	Low	194 Å²	194	133.9 Å²	133.9	91%	0.907	73%	0.732	S	S	*	*			trans	-44.5	115.5	-173.8	-61.8	-171.6	-74.5	0	0	110.8	V283 E287	V283-Q285 PolarHBondContact O-N 3.35Å; Q285-E287 PolarHBondContact O-N 3.35Å
286	R	41.4	Very low	61.5	Low	226 Å²	226	139.2 Å²	139.2	85%	0.853	74%	0.736	S	S	*	*			trans	-65.7	116.1	167.4	-101.4	-179.1	176.7	121.2	-1	107.4	A284 I288	A284-R286 PolarHBondContact O-N 3.36Å; A284-R286 VanDerWaalsContact O-N 3.07Å; R286-I288 PolarHBondContact O-N 3.08Å
287	E	36	Very low	59.4	Low	193 Å²	193	142.8 Å²	142.8	90%	0.902	76%	0.76	S	S	*	*			trans	-53.7	114.5	164.2	-75.1	-175.3	108.8	0	0	110	Q285	Q285-E287 PolarHBondContact O-N 3.35Å
288	I	40.2	Very low	57.6	Low	231 Å²	231	140.9 Å²	140.9	100%	1.185	75%	0.753	S	S	*	*			trans	-146.5	0	148	-50.6	-179.6	0	0	0	107.6	R286	R286-I288 PolarHBondContact O-N 3.08Å

Retrieved 288 of 288 residues in 1001.3 ms (Link to these results)

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