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GTP-binding nuclear protein Ran, testis-specific isoform

GTP-binding protein involved in nucleocytoplasmic transport (By similarity). Required for the import of protein into the nucleus and also for RNA export (By similarity). Involved in chromatin condensation and control of cell cycle (By similarity).

AlphaFold DB , UniProt , Accession Q61820, Species MOUSE (Mus musculus, Mouse), Gene Rasl2-9, Length 216 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	37.2	Very low	58.5	Low	248 Å²	248	119.2 Å²	119.2	100%	1.222	70%	0.698	S	S	*	*				0	129.4	0	-66.5	-165.4	-157.7	0	0	107.2
2	A	35	Very low	61.8	Low	106 Å²	106	111.3 Å²	111.3	88%	0.876	65%	0.649	S	S	*	*			trans	70.7	96.4	-171	0	0	0	0	0	118.1
3	A	38.6	Very low	64.6	Low	93 Å²	93	102.7 Å²	102.7	77%	0.769	60%	0.599	S	S	*	*			trans	42.6	106.6	154.3	0	0	0	0	0	120.2
4	Q	34	Very low	66.9	Low	190 Å²	190	95.4 Å²	95.4	89%	0.888	56%	0.556	S	S	*	*				72.7	110.2	87.4	-76.4	-174.5	-5.2	0	0	114.2	E6	Q4-E6 PolarHBondContact O-N 2.94Å
5	G	39.7	Very low	69	Low	83 Å²	83	89 Å²	89	86%	0.856	52%	0.519	S	S	*	.			trans	-66.3	115.3	179.9	0	0	0	0	0	112.8
6	E	47.9	Very low	70.7	Confident	162 Å²	162	83.4 Å²	83.4	76%	0.757	49%	0.486	S	S	*	.			trans	-68.1	137.1	163.9	-71.9	-179.8	157.7	0	0	109.6	Q4 Q8	Q4-E6 PolarHBondContact O-N 2.94Å; E6-Q8 PolarHBondContact O-N 2.82Å
7	P	50.6	Low	72.2	Confident	122 Å²	122	78.6 Å²	78.6	79%	0.792	46%	0.458	S	S	*	.			trans	-58.6	112.1	166.3	23.3	-28.6	0	0	0	107.9	V9	P7-V9 PolarHBondContact O-N 3.26Å; P7-V9 VanDerWaalsContact O-N 3.09Å
8	Q	71.9	Confident	73.6	Confident	111 Å²	111	75.4 Å²	75.4	52%	0.519	44%	0.439	S	S	.	.			trans	-63.3	115.9	-179.6	-73.2	176.6	-22.4	0	0	108.7	E6 Q10 K60	E6-Q8 PolarHBondContact O-N 2.82Å; Q8-Q10 PolarHBondContact O-N 3.38Å; Q8-Q10 VanDerWaalsContact O-N 3.08Å; Q8-K60 HydrophobicContact CB-CD 4.24Å
9	V	93.7	Very high	74.7	Confident	65 Å²	65	72.6 Å²	72.6	39%	0.394	43%	0.429	S	S	.	.			trans	-58.2	116.7	177.6	-178.9	0	0	0	0	108	P7 F11 K60 I169	P7-V9 PolarHBondContact O-N 3.26Å; P7-V9 VanDerWaalsContact O-N 3.09Å; V9-F11 HydrophobicContact CG1-CD2 4.31Å; V9-F11 HydrophobicContact CG1-CE1 4.39Å; V9-F11 HydrophobicContact CG1-CE2 3.41Å; V9-F11 VanDerWaalsContact CG1-CE2 3.41Å; V9-F11 HydrophobicContact CG1-CZ 3.44Å; V9-F11 VanDerWaalsContact CG1-CZ 3.44Å; V9-K60 PolarHBondContact O-N 3.35Å; V9-I169 HydrophobicContact CG1-CD1 3.9Å
10	Q	96.5	Very high	75.7	Confident	110 Å²	110	70.3 Å²	70.3	51%	0.514	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	140.7	-177	65.9	178.3	-3.5	0	0	111.8	Q8 K60 N62	Q8-Q10 PolarHBondContact O-N 3.38Å; Q8-Q10 VanDerWaalsContact O-N 3.08Å; Q10-K60 CarbonylContact C-O 3.58Å; Q10-K60 VanDerWaalsContact CA-O 3.22Å; Q10-K60 WeakPolarHBondContact CA-O 3.25Å; Q10-K60 HydrophobicContact CB-CB 3.82Å; Q10-N62 PolarHBondContact OE1-ND2 3.46Å
11	F	98.1	Very high	76.7	Confident	21 Å²	21	67 Å²	67	9%	0.092	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	135	-179.9	-57.2	-74	0	0	0	110.6	V9 V13 I59 K60 F61 N62 Q84 L168 I169	V9-F11 HydrophobicContact CG1-CD2 4.31Å; V9-F11 HydrophobicContact CG1-CE1 4.39Å; V9-F11 HydrophobicContact CG1-CE2 3.41Å; V9-F11 VanDerWaalsContact CG1-CE2 3.41Å; V9-F11 HydrophobicContact CG1-CZ 3.44Å; V9-F11 VanDerWaalsContact CG1-CZ 3.44Å; F11-V13 PolarHBondContact O-N 2.83Å; F11-I59 HydrophobicContact CD2-CG2 3.79Å; F11-I59 HydrophobicContact CE2-CG2 3.84Å; F11-K60 PolarHBondContact N-O 3.13Å; F11-F61 HydrophobicContact CB-CD1 3.85Å; F11-F61 HydrophobicContact CB-CE1 3.94Å; F11-F61 HydrophobicContact CD2-CD1 4.37Å; F11-F61 AromaticContact CD2-CE1 3.91Å; F11-F61 HydrophobicContact CD2-CE1 3.91Å; F11-F61 HydrophobicContact CD2-CZ 4.47Å; F11-F61 HydrophobicContact CG-CE1 4.3Å; F11-F61 CarbonylContact O-C 3.56Å; F11-F61 WeakPolarHBondContact O-CA 3.4Å; F11-N62 PolarHBondContact O-N 3.28Å; F11-Q84 VanDerWaalsContact CA-OE1 3.29Å; F11-Q84 HydrophobicContact CB-CB 4.35Å; F11-Q84 HydrophobicContact CD1-CB 4.16Å; F11-L168 HydrophobicContact CB-CD1 4.05Å; F11-L168 HydrophobicContact CD1-CB 4.22Å; F11-L168 HydrophobicContact CD1-CD1 3.96Å; F11-L168 HydrophobicContact CD1-CD2 4.06Å; F11-L168 HydrophobicContact CD1-CG 4.31Å; F11-L168 HydrophobicContact CD2-CB 4.36Å; F11-L168 HydrophobicContact CD2-CD1 3.84Å; F11-L168 HydrophobicContact CE1-CB 3.81Å; F11-L168 HydrophobicContact CE1-CD1 4.4Å; F11-L168 HydrophobicContact CE1-CD2 4.22Å; F11-L168 HydrophobicContact CE1-CG 4.37Å; F11-L168 HydrophobicContact CE2-CB 3.93Å; F11-L168 HydrophobicContact CE2-CD1 4.25Å; F11-L168 HydrophobicContact CG-CB 4.5Å; F11-L168 HydrophobicContact CG-CD1 3.69Å; F11-L168 HydrophobicContact CG-CG 4.49Å; F11-L168 HydrophobicContact CZ-CB 3.65Å; F11-I169 HydrophobicContact CE2-CD1 4.05Å; F11-I169 HydrophobicContact CZ-CD1 3.96Å
12	K	98	Very high	79.5	Confident	24 Å²	24	55.8 Å²	55.8	10%	0.104	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	118.5	165.6	179	171.7	171.5	174.9	0	109	N62 W64 Y79 I81 Q84 C85	K12-N62 WeakPolarHBondContact CA-O 3.37Å; K12-W64 HydrophobicContact CD-CD2 4.47Å; K12-W64 HydrophobicContact CD-CZ2 4.37Å; K12-W64 HydrophobicContact CG-CG 4.47Å; K12-Y79 WeakPolarHBondContact CE-O 3.31Å; K12-Y79 PolarHBondContact NZ-O 2.85Å; K12-I81 PolarHBondContact NZ-O 3.49Å; K12-Q84 PolarHBondContact O-N 3.36Å; K12-C85 PolarHBondContact O-N 3.08Å
13	V	98.1	Very high	82.4	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	130.3	170.5	-165	0	0	0	0	107.6	F11 F61 N62 V63 W64 C85 I87 F161 L164	F11-V13 PolarHBondContact O-N 2.83Å; V13-F61 HydrophobicContact CG2-CB 3.67Å; V13-F61 HydrophobicContact CG2-CD1 3.2Å; V13-F61 HydrophobicContact CG2-CE1 4.07Å; V13-F61 HydrophobicContact CG2-CG 3.75Å; V13-N62 PolarHBondContact N-O 3.49Å; V13-V63 HydrophobicContact CB-CB 4.43Å; V13-V63 HydrophobicContact CB-CG1 4.25Å; V13-V63 HydrophobicContact CB-CG2 4.15Å; V13-V63 HydrophobicContact CG2-CG2 4.13Å; V13-V63 CarbonylContact O-C 3.59Å; V13-V63 WeakPolarHBondContact O-CA 3.33Å; V13-W64 PolarHBondContact O-N 3.48Å; V13-C85 WeakPolarHBondContact CA-O 3.17Å; V13-C85 VanDerWaalsContact CG2-SG 3.59Å; V13-I87 HydrophobicContact CG1-CD1 4.41Å; V13-I87 HydrophobicContact CG1-CG1 4.2Å; V13-F161 HydrophobicContact CG2-CE1 4.48Å; V13-L164 HydrophobicContact CG1-CD1 4.28Å
14	V	97.3	Very high	85	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	125.5	167.3	-65.4	0	0	0	0	109.7	V16 W64 Y80 A83 C85 A86 I87 L108	V14-V16 HydrophobicContact CB-CG1 4.41Å; V14-W64 HydrophobicContact CG1-CB 4.19Å; V14-Y80 HydrophobicContact CB-CD1 4.34Å; V14-Y80 HydrophobicContact CG1-CD1 4.31Å; V14-Y80 HydrophobicContact CG2-CD1 4.28Å; V14-A83 HydrophobicContact CB-CB 4.46Å; V14-A83 HydrophobicContact CG1-CB 3.76Å; V14-A83 HydrophobicContact CG2-CB 3.88Å; V14-C85 PolarHBondContact N-O 3.03Å; V14-C85 VanDerWaalsContact N-O 3.11Å; V14-A86 HydrophobicContact CG2-CB 3.6Å; V14-A86 VanDerWaalsContact O-CA 3.28Å; V14-A86 WeakPolarHBondContact O-CA 3.29Å; V14-I87 PolarHBondContact O-N 3.09Å; V14-L108 HydrophobicContact CG2-CD1 3.31Å
15	L	97.6	Very high	87.9	Confident	0 Å²	0	40 Å²	40	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	111.5	178.1	177	61.2	0	0	0	108.6	K23 F26 M27 V63 W64 T66 I87 M89	L15-K23 HydrophobicContact CD1-CB 4.44Å; L15-K23 HydrophobicContact CD1-CD 4.42Å; L15-K23 HydrophobicContact CD1-CG 4.1Å; L15-K23 HydrophobicContact CD2-CB 3.67Å; L15-K23 HydrophobicContact CD2-CG 4.23Å; L15-K23 HydrophobicContact CG-CB 3.84Å; L15-K23 HydrophobicContact CG-CD 4Å; L15-K23 HydrophobicContact CG-CG 3.88Å; L15-F26 HydrophobicContact CD2-CD1 4.34Å; L15-M27 HydrophobicContact CD2-CG 3.37Å; L15-M27 HydrophobicContact CD2-SD 3.99Å; L15-V63 HydrophobicContact CB-CG1 3.87Å; L15-V63 HydrophobicContact CD2-CG1 4.46Å; L15-W64 PolarHBondContact N-O 3.08Å; L15-T66 PolarHBondContact O-N 3.26Å; L15-T66 VanDerWaalsContact O-N 3.17Å; L15-T66 PolarHBondContact O-OG1 3.22Å; L15-I87 WeakPolarHBondContact CA-O 3.32Å; L15-I87 HydrophobicContact CD1-CB 3.72Å; L15-I87 HydrophobicContact CD1-CG2 3.64Å; L15-M89 HydrophobicContact CD1-CE 4.15Å
16	V	96.7	Very high	90.5	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	165.5	-170.2	-57.6	0	0	0	0	111.7	V14 K23 T66 Y80 I87 I88 M89 W104	V14-V16 HydrophobicContact CB-CG1 4.41Å; V16-K23 VanDerWaalsContact C-CD 3.49Å; V16-T66 HydrophobicContact CG1-CG2 4.36Å; V16-Y80 HydrophobicContact CG1-CD1 4.5Å; V16-Y80 HydrophobicContact CG1-CE1 3.52Å; V16-I87 PolarHBondContact N-O 2.98Å; V16-I88 HydrophobicContact CG2-CB 4.19Å; V16-I88 HydrophobicContact CG2-CG1 3.69Å; V16-I88 HydrophobicContact CG2-CG2 4.28Å; V16-I88 WeakPolarHBondContact O-CA 3.36Å; V16-M89 PolarHBondContact O-N 2.94Å; V16-W104 HydrophobicContact CB-CD2 4.45Å; V16-W104 HydrophobicContact CB-CE3 3.77Å; V16-W104 HydrophobicContact CB-CZ3 4.05Å; V16-W104 HydrophobicContact CG1-CE3 4.46Å; V16-W104 HydrophobicContact CG2-CB 4.44Å; V16-W104 HydrophobicContact CG2-CE3 4.36Å
17	G	97.1	Very high	92.6	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.01	17%	0.167	C	C	.	.			trans	133.6	167.3	-176.1	0	0	0	0	0	111.5	K23 G68 M89 W104	G17-K23 WeakPolarHBondContact O-CE 3.34Å; G17-K23 PolarHBondContact O-NZ 3.19Å; G17-G68 WeakPolarHBondContact O-CA 3.49Å; G17-M89 WeakPolarHBondContact CA-O 3.42Å; G17-W104 VanDerWaalsContact C-CE2 3.42Å; G17-W104 VanDerWaalsContact O-CZ2 3.22Å; G17-W104 WeakPolarHBondContact O-CZ2 3.22Å
18	D	96.2	Very high	94.5	Very high	21 Å²	21	25.6 Å²	25.6	11%	0.112	14%	0.143	C	C	.	.			trans	-56.3	160.6	-174	-77.6	11.9	0	0	0	113.9	T21 K23 T97 N100 W104	D18-T21 HydrophobicContact CB-CG2 3.87Å; D18-T21 WeakPolarHBondContact O-CG2 3.48Å; D18-T21 PolarHBondContact O-OG1 2.52Å; D18-K23 PolarHBondContact O-NZ 3.45Å; D18-T97 HydrophobicContact CB-CG2 3.84Å; D18-T97 WeakPolarHBondContact OD2-CA 3.42Å; D18-N100 WeakPolarHBondContact OD1-CB 3.43Å; D18-N100 PolarHBondContact OD2-ND2 3.07Å; D18-W104 PolarHBondContact OD1-NE1 2.7Å
19	G	94.6	Very high	95.4	Very high	23 Å²	23	20.5 Å²	20.5	24%	0.237	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	142.4	169.1	0	0	0	0	0	111.4	T21 G68	G19-T21 VanDerWaalsContact C-N 3.26Å; G19-T21 PolarHBondContact O-N 2.97Å; G19-G68 PolarHBondContact N-O 2.98Å; G19-G68 VanDerWaalsContact N-O 3.12Å
20	G	94.4	Very high	95.1	Very high	26 Å²	26	18 Å²	18	27%	0.268	10%	0.103	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.2	0.2	176.4	0	0	0	0	0	115.9	G22 K123	G20-G22 PolarHBondContact O-N 3.3Å; G20-K123 WeakPolarHBondContact O-CE 3.48Å; G20-K123 PolarHBondContact O-NZ 2.74Å
21	T	96.9	Very high	94.6	Very high	0 Å²	0	16 Å²	16	0%	0	10%	0.095	C	C	.	.	S	Bend	trans	-68.7	-17.9	177.1	57.5	0	0	0	0	113.7	D18 G19 D91 T97 N122	D18-T21 HydrophobicContact CB-CG2 3.87Å; D18-T21 WeakPolarHBondContact O-CG2 3.48Å; D18-T21 PolarHBondContact O-OG1 2.52Å; G19-T21 VanDerWaalsContact C-N 3.26Å; G19-T21 PolarHBondContact O-N 2.97Å; T21-D91 HydrophobicContact CG2-CB 4.32Å; T21-T97 HydrophobicContact CG2-CG2 3.87Å; T21-N122 PolarHBondContact O-ND2 3.19Å
22	G	95.9	Very high	93.9	Very high	13 Å²	13	18.9 Å²	18.9	13%	0.134	12%	0.115	C	C	.	.	S	Bend	trans	102.5	16.1	176.7	0	0	0	0	0	115.3	G20 T24 T25 F26	G20-G22 PolarHBondContact O-N 3.3Å; G22-T24 PolarHBondContact O-N 3.45Å; G22-T25 PolarHBondContact O-N 3.03Å; G22-F26 WeakPolarHBondContact O-CB 3.47Å; G22-F26 PolarHBondContact O-N 2.94Å
23	K	96.3	Very high	93.1	Very high	10 Å²	10	17.8 Å²	17.8	4%	0.043	11%	0.11	C	C	.	.	H	α-helix	trans	-51.3	-54.8	178.4	-64.2	-176.4	-53.8	-70.3	0	113.3	L15 V16 G17 D18 T25 F26 M27 D65 T66 M89	L15-K23 HydrophobicContact CD1-CB 4.44Å; L15-K23 HydrophobicContact CD1-CD 4.42Å; L15-K23 HydrophobicContact CD1-CG 4.1Å; L15-K23 HydrophobicContact CD2-CB 3.67Å; L15-K23 HydrophobicContact CD2-CG 4.23Å; L15-K23 HydrophobicContact CG-CB 3.84Å; L15-K23 HydrophobicContact CG-CD 4Å; L15-K23 HydrophobicContact CG-CG 3.88Å; V16-K23 VanDerWaalsContact C-CD 3.49Å; G17-K23 WeakPolarHBondContact O-CE 3.34Å; G17-K23 PolarHBondContact O-NZ 3.19Å; D18-K23 PolarHBondContact O-NZ 3.45Å; K23-T25 PolarHBondContact O-N 3.32Å; K23-F26 WeakPolarHBondContact O-CB 3.27Å; K23-F26 PolarHBondContact O-N 3.23Å; K23-M27 PolarHBondContact O-N 2.82Å; K23-D65 VanDerWaalsContact CB-OD1 3.3Å; K23-D65 WeakPolarHBondContact CB-OD1 3.28Å; K23-T66 WeakPolarHBondContact CE-O 3.12Å; K23-M89 HydrophobicContact CG-CB 4.09Å; K23-M89 HydrophobicContact CG-SD 4.06Å
24	T	94.2	Very high	92.2	Very high	22 Å²	22	24.2 Å²	24.2	14%	0.135	14%	0.14	C	C	.	.	H	α-helix	trans	-63.2	-41.2	179.2	-47.3	0	0	0	0	112	G22 F26 M27 K28 T42 D65	G22-T24 PolarHBondContact O-N 3.45Å; T24-F26 PolarHBondContact O-N 3.35Å; T24-M27 PolarHBondContact O-N 3.42Å; T24-K28 HydrophobicContact CG2-CD 4.16Å; T24-K28 HydrophobicContact CG2-CG 4.35Å; T24-K28 WeakPolarHBondContact O-CB 3.36Å; T24-K28 WeakPolarHBondContact O-CG 3.44Å; T24-K28 PolarHBondContact O-N 3.1Å; T24-T42 PolarHBondContact OG1-OG1 2.92Å; T24-D65 VanDerWaalsContact CA-OD2 3.27Å; T24-D65 WeakPolarHBondContact CA-OD2 3.16Å; T24-D65 VanDerWaalsContact CB-OD2 3.27Å; T24-D65 WeakPolarHBondContact CB-OD2 3.36Å; T24-D65 PolarHBondContact OG1-OD2 3.1Å
25	T	94.2	Very high	91.5	Very high	25 Å²	25	26.4 Å²	26.4	15%	0.153	15%	0.15	C	C	.	.	H	α-helix	trans	-61.5	-44.3	174.8	-50.6	0	0	0	0	111.3	G22 K23 M27 R29 F35 E36 A151	G22-T25 PolarHBondContact O-N 3.03Å; K23-T25 PolarHBondContact O-N 3.32Å; T25-M27 VanDerWaalsContact C-N 3.31Å; T25-M27 PolarHBondContact O-N 3.38Å; T25-R29 WeakPolarHBondContact O-CB 3.39Å; T25-R29 PolarHBondContact O-N 3.12Å; T25-F35 HydrophobicContact CG2-CD2 3.49Å; T25-F35 VanDerWaalsContact CG2-CD2 3.49Å; T25-F35 HydrophobicContact CG2-CE2 3.36Å; T25-F35 HydrophobicContact CG2-CG 4.33Å; T25-F35 HydrophobicContact CG2-CZ 4.12Å; T25-E36 HydrophobicContact CG2-CB 4.44Å; T25-A151 HydrophobicContact CG2-CB 4.17Å
26	F	94.7	Very high	90.8	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-61.2	-39.2	175.5	174.9	-96.6	0	0	0	112.2	L15 G22 K23 T24 H30 I87 M89 I149 A151 F157 P160 F161	L15-F26 HydrophobicContact CD2-CD1 4.34Å; G22-F26 WeakPolarHBondContact O-CB 3.47Å; G22-F26 PolarHBondContact O-N 2.94Å; K23-F26 WeakPolarHBondContact O-CB 3.27Å; K23-F26 PolarHBondContact O-N 3.23Å; T24-F26 PolarHBondContact O-N 3.35Å; F26-H30 AromaticContact CE1-CE1 3.8Å; F26-H30 AromaticContact CE1-ND1 3.95Å; F26-H30 AromaticContact CE2-CE1 3.52Å; F26-H30 AromaticContact CZ-CE1 3.35Å; F26-H30 WeakPolarHBondContact CZ-CE1 3.39Å; F26-H30 AromaticContact CZ-ND1 3.94Å; F26-H30 PolarHBondContact O-N 3.34Å; F26-H30 PolarHBondContact O-ND1 3.23Å; F26-I87 HydrophobicContact CE1-CD1 4.23Å; F26-M89 HydrophobicContact CB-CE 3.71Å; F26-M89 HydrophobicContact CD1-CE 3.95Å; F26-M89 HydrophobicContact CD2-CE 4.19Å; F26-M89 HydrophobicContact CG-CE 3.7Å; F26-I149 HydrophobicContact CD2-CD1 3.74Å; F26-I149 HydrophobicContact CE2-CD1 3.78Å; F26-A151 HydrophobicContact CB-CB 4.21Å; F26-F157 HydrophobicContact CB-CE2 4.48Å; F26-F157 AromaticContact CD2-CD2 3.57Å; F26-F157 HydrophobicContact CD2-CD2 3.57Å; F26-F157 AromaticContact CD2-CE2 3.33Å; F26-F157 HydrophobicContact CD2-CE2 3.33Å; F26-F157 HydrophobicContact CD2-CZ 4.33Å; F26-F157 AromaticContact CE2-CD2 3.59Å; F26-F157 HydrophobicContact CE2-CD2 3.59Å; F26-F157 AromaticContact CE2-CE2 3.71Å; F26-F157 HydrophobicContact CE2-CE2 3.71Å; F26-F157 HydrophobicContact CE2-CG 4.36Å; F26-F157 HydrophobicContact CG-CE2 4.04Å; F26-F157 WeakPolarHBondContact O-CE2 3.34Å; F26-F157 WeakPolarHBondContact O-CZ 3.01Å; F26-P160 HydrophobicContact CZ-CG 4.39Å; F26-F161 AromaticContact CE1-CE2 3.51Å; F26-F161 HydrophobicContact CE1-CE2 3.51Å; F26-F161 AromaticContact CE1-CZ 3.95Å; F26-F161 HydrophobicContact CE1-CZ 3.95Å; F26-F161 HydrophobicContact CZ-CD2 4.25Å; F26-F161 AromaticContact CZ-CE2 3.63Å; F26-F161 HydrophobicContact CZ-CE2 3.63Å; F26-F161 HydrophobicContact CZ-CZ 4.48Å
27	M	92.9	Very high	90.2	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-70.4	-51.8	176.4	-76.7	-53.4	-50.4	0	0	113.3	L15 K23 T24 T25 R29 H30 L31 H48 L50 V63 D65 F161	L15-M27 HydrophobicContact CD2-CG 3.37Å; L15-M27 HydrophobicContact CD2-SD 3.99Å; K23-M27 PolarHBondContact O-N 2.82Å; T24-M27 PolarHBondContact O-N 3.42Å; T25-M27 VanDerWaalsContact C-N 3.31Å; T25-M27 PolarHBondContact O-N 3.38Å; M27-R29 PolarHBondContact O-N 3.14Å; M27-H30 WeakPolarHBondContact O-CB 3.33Å; M27-H30 PolarHBondContact O-N 3.16Å; M27-L31 WeakPolarHBondContact O-CG 3.36Å; M27-L31 PolarHBondContact O-N 3.4Å; M27-L31 VanDerWaalsContact O-N 3.12Å; M27-H48 HydrophobicContact CE-CB 3.78Å; M27-L50 HydrophobicContact CE-CD1 3.64Å; M27-L50 HydrophobicContact CE-CD2 4.32Å; M27-L50 HydrophobicContact CE-CG 3.88Å; M27-L50 HydrophobicContact SD-CD1 4.2Å; M27-V63 HydrophobicContact CE-CB 3.42Å; M27-V63 VanDerWaalsContact CE-CB 3.42Å; M27-V63 HydrophobicContact CE-CG1 3.82Å; M27-V63 HydrophobicContact CE-CG2 3.63Å; M27-V63 HydrophobicContact CG-CG1 4.23Å; M27-V63 HydrophobicContact SD-CB 3.68Å; M27-V63 HydrophobicContact SD-CG1 3.34Å; M27-V63 WeakPolarHBondContact SD-CG1 3.38Å; M27-V63 HydrophobicContact SD-CG2 3.88Å; M27-D65 HydrophobicContact CG-CB 4.32Å; M27-F161 HydrophobicContact SD-CZ 4.33Å
28	K	89.8	Confident	89.7	Confident	65 Å²	65	44 Å²	44	28%	0.283	23%	0.23	S	C	.	.	H	α-helix	trans	-56	-41.2	177.2	-76.9	-177.8	168.4	-177.2	0	111.4	T24 H30 L31 T32 E36	T24-K28 HydrophobicContact CG2-CD 4.16Å; T24-K28 HydrophobicContact CG2-CG 4.35Å; T24-K28 WeakPolarHBondContact O-CB 3.36Å; T24-K28 WeakPolarHBondContact O-CG 3.44Å; T24-K28 PolarHBondContact O-N 3.1Å; K28-H30 VanDerWaalsContact C-N 3.29Å; K28-H30 PolarHBondContact O-N 3Å; K28-L31 PolarHBondContact O-N 2.92Å; K28-T32 PolarHBondContact O-N 2.76Å; K28-T32 PolarHBondContact O-OG1 3.04Å; K28-E36 HydrophobicContact CD-CB 4.12Å; K28-E36 HydrophobicContact CD-CG 4.36Å; K28-E36 IonicContact NZ-OE2 2.67Å; K28-E36 PolarHBondContact NZ-OE2 3.21Å
29	R	89.7	Confident	89.3	Confident	4 Å²	4	49.6 Å²	49.6	2%	0.015	25%	0.25	C	C	.	.	H	α-helix	trans	-62.3	-33.5	178	-171.8	74.9	173.6	-179.2	-1.3	112.7	T25 M27 G33 E34 N154 F157 L182 A183 P184	T25-R29 WeakPolarHBondContact O-CB 3.39Å; T25-R29 PolarHBondContact O-N 3.12Å; M27-R29 PolarHBondContact O-N 3.14Å; R29-G33 VanDerWaalsContact CD-O 3.26Å; R29-G33 WeakPolarHBondContact CD-O 3.48Å; R29-G33 PolarHBondContact NE-O 3.43Å; R29-G33 PolarHBondContact NH1-O 3.22Å; R29-G33 WeakPolarHBondContact O-CA 3.35Å; R29-G33 PolarHBondContact O-N 3.37Å; R29-G33 VanDerWaalsContact O-N 3.12Å; R29-E34 WeakPolarHBondContact CA-O 3.29Å; R29-E34 VanDerWaalsContact CD-O 3.22Å; R29-E34 WeakPolarHBondContact CD-O 3.43Å; R29-N154 PolarHBondContact NE-OD1 2.84Å; R29-N154 PolarHBondContact NH2-ND2 3.22Å; R29-N154 PolarHBondContact NH2-OD1 2.84Å; R29-F157 HydrophobicContact CB-CE1 4.33Å; R29-F157 HydrophobicContact CB-CE2 3.92Å; R29-F157 HydrophobicContact CB-CZ 3.41Å; R29-F157 VanDerWaalsContact CB-CZ 3.41Å; R29-F157 HydrophobicContact CG-CE1 4.02Å; R29-F157 HydrophobicContact CG-CE2 3.87Å; R29-F157 HydrophobicContact CG-CZ 3.43Å; R29-F157 VanDerWaalsContact CG-CZ 3.43Å; R29-L182 WeakPolarHBondContact O-CD2 3.42Å; R29-A183 PolarHBondContact NH2-O 2.88Å; R29-P184 VanDerWaalsContact NH2-C 3.3Å; R29-P184 PolarHBondContact NH2-O 3.45Å
30	H	88.3	Confident	89	Confident	13 Å²	13	53.6 Å²	53.6	6%	0.06	27%	0.27	C	S	.	.	H	α-helix	trans	-73.4	-30.5	172.5	-81.9	94.3	0	0	0	112.8	F26 M27 K28 L50 F52 F157 F161	F26-H30 AromaticContact CE1-CE1 3.8Å; F26-H30 AromaticContact CE1-ND1 3.95Å; F26-H30 AromaticContact CE2-CE1 3.52Å; F26-H30 AromaticContact CZ-CE1 3.35Å; F26-H30 WeakPolarHBondContact CZ-CE1 3.39Å; F26-H30 AromaticContact CZ-ND1 3.94Å; F26-H30 PolarHBondContact O-N 3.34Å; F26-H30 PolarHBondContact O-ND1 3.23Å; M27-H30 WeakPolarHBondContact O-CB 3.33Å; M27-H30 PolarHBondContact O-N 3.16Å; K28-H30 VanDerWaalsContact C-N 3.29Å; K28-H30 PolarHBondContact O-N 3Å; H30-L50 HydrophobicContact CB-CD1 3.57Å; H30-L50 HydrophobicContact CB-CD2 3.54Å; H30-L50 HydrophobicContact CB-CG 4.21Å; H30-F52 AromaticContact CD2-CZ 3.74Å; H30-F157 HydrophobicContact CB-CE1 4.06Å; H30-F157 HydrophobicContact CB-CZ 4.17Å; H30-F157 AromaticContact CD2-CD1 3.81Å; H30-F157 AromaticContact CD2-CE1 3.37Å; H30-F157 WeakPolarHBondContact CD2-CE1 3.36Å; H30-F157 AromaticContact CE1-CD1 3.28Å; H30-F157 WeakPolarHBondContact CE1-CD1 3.27Å; H30-F157 AromaticContact CE1-CD2 3.71Å; H30-F157 AromaticContact CE1-CE1 3.03Å; H30-F157 WeakPolarHBondContact CE1-CE1 3.49Å; H30-F157 AromaticContact CE1-CE2 3.46Å; H30-F157 VanDerWaalsContact CE1-CE2 3.46Å; H30-F157 WeakPolarHBondContact CE1-CE2 3.5Å; H30-F157 AromaticContact CE1-CG 3.62Å; H30-F157 AromaticContact CE1-CZ 3.1Å; H30-F157 WeakPolarHBondContact CE1-CZ 3.43Å; H30-F157 PolarHBondContact CE1-O 3.46Å; H30-F157 AromaticContact CG-CE1 3.25Å; H30-F157 AromaticContact CG-CZ 3.46Å; H30-F157 VanDerWaalsContact CG-CZ 3.46Å; H30-F157 AromaticContact ND1-CD1 3.85Å; H30-F157 AromaticContact ND1-CE1 3.09Å; H30-F157 WeakPolarHBondContact ND1-CE1 3.2Å; H30-F157 AromaticContact ND1-CE2 3.54Å; H30-F157 AromaticContact ND1-CZ 2.88Å; H30-F157 WeakPolarHBondContact ND1-CZ 3.28Å; H30-F157 AromaticContact NE2-CD1 3.29Å; H30-F157 VanDerWaalsContact NE2-CD1 3.29Å; H30-F157 WeakPolarHBondContact NE2-CD1 3.41Å; H30-F157 AromaticContact NE2-CE1 3.26Å; H30-F157 VanDerWaalsContact NE2-CE1 3.26Å; H30-F157 WeakPolarHBondContact NE2-CE1 3.28Å; H30-F157 AromaticContact NE2-CG 3.94Å; H30-F157 AromaticContact NE2-CZ 3.84Å; H30-F157 PolarHBondContact NE2-O 2.98Å; H30-F161 AromaticContact CD2-CE2 3.96Å; H30-F161 AromaticContact CE1-CD2 3.81Å; H30-F161 AromaticContact CE1-CE2 3.41Å; H30-F161 VanDerWaalsContact CE1-CE2 3.41Å; H30-F161 WeakPolarHBondContact CE1-CE2 3.44Å; H30-F161 AromaticContact ND1-CE2 3.76Å; H30-F161 AromaticContact NE2-CD2 3.48Å; H30-F161 WeakPolarHBondContact NE2-CD2 3.29Å; H30-F161 AromaticContact NE2-CE2 3.5Å; H30-F161 WeakPolarHBondContact NE2-CE2 3.24Å
31	L	86.3	Confident	88.8	Confident	67 Å²	67	53.9 Å²	53.9	35%	0.351	27%	0.269	S	S	.	.	H	α-helix	trans	-82.2	-51.5	-175.4	-70	161.1	0	0	0	112.9	M27 K28 H48 L50	M27-L31 WeakPolarHBondContact O-CG 3.36Å; M27-L31 PolarHBondContact O-N 3.4Å; M27-L31 VanDerWaalsContact O-N 3.12Å; K28-L31 PolarHBondContact O-N 2.92Å; L31-H48 HydrophobicContact CD1-CB 3.72Å; L31-H48 VanDerWaalsContact CD1-CG 3.48Å; L31-H48 WeakPolarHBondContact CD1-ND1 3.45Å; L31-H48 HydrophobicContact CD2-CB 4.15Å; L31-H48 HydrophobicContact CG-CB 4.42Å; L31-L50 HydrophobicContact CD2-CD2 3.47Å; L31-L50 VanDerWaalsContact CD2-CD2 3.47Å; L31-L50 HydrophobicContact CG-CD2 3.71Å
32	T	83	Confident	88.2	Confident	82 Å²	82	54.4 Å²	54.4	50%	0.503	27%	0.273	S	S	.	.	H	α-helix	trans	-112.1	-11.7	-170.9	65.6	0	0	0	0	112.4	K28 E34	K28-T32 PolarHBondContact O-N 2.76Å; K28-T32 PolarHBondContact O-OG1 3.04Å; T32-E34 PolarHBondContact O-N 3.37Å; T32-E34 WeakPolarHBondContact OG1-CB 3.44Å; T32-E34 PolarHBondContact OG1-N 2.86Å; T32-E34 VanDerWaalsContact OG1-N 3.14Å
33	G	80.7	Confident	87.8	Confident	1 Å²	1	59.9 Å²	59.9	1%	0.01	30%	0.298	C	S	.	.	S	Bend	trans	74.5	-6.6	-168.7	0	0	0	0	0	113.3	R29 A183	R29-G33 VanDerWaalsContact CD-O 3.26Å; R29-G33 WeakPolarHBondContact CD-O 3.48Å; R29-G33 PolarHBondContact NE-O 3.43Å; R29-G33 PolarHBondContact NH1-O 3.22Å; R29-G33 WeakPolarHBondContact O-CA 3.35Å; R29-G33 PolarHBondContact O-N 3.37Å; R29-G33 VanDerWaalsContact O-N 3.12Å; G33-A183 WeakPolarHBondContact O-CB 3.41Å
34	E	79.8	Confident	87.3	Confident	135 Å²	135	59.8 Å²	59.8	63%	0.631	30%	0.3	S	S	*	.			trans	-83	147.8	-176.2	-62	178.2	163.8	0	0	111.9	R29 T32	R29-E34 WeakPolarHBondContact CA-O 3.29Å; R29-E34 VanDerWaalsContact CD-O 3.22Å; R29-E34 WeakPolarHBondContact CD-O 3.43Å; T32-E34 PolarHBondContact O-N 3.37Å; T32-E34 WeakPolarHBondContact OG1-CB 3.44Å; T32-E34 PolarHBondContact OG1-N 2.86Å; T32-E34 VanDerWaalsContact OG1-N 3.14Å
35	F	82.1	Confident	87.2	Confident	46 Å²	46	60.6 Å²	60.6	20%	0.202	31%	0.305	C	S	.	.			trans	-98.5	118.8	172.7	-178.7	-96.9	0	0	0	109.6	T25 K37 R152 E186	T25-F35 HydrophobicContact CG2-CD2 3.49Å; T25-F35 VanDerWaalsContact CG2-CD2 3.49Å; T25-F35 HydrophobicContact CG2-CE2 3.36Å; T25-F35 HydrophobicContact CG2-CG 4.33Å; T25-F35 HydrophobicContact CG2-CZ 4.12Å; F35-K37 HydrophobicContact CD1-CG 3.82Å; F35-K37 HydrophobicContact CE1-CG 3.96Å; F35-K37 PolarHBondContact O-N 3.25Å; F35-R152 HydrophobicContact CD2-CB 4.13Å; F35-R152 HydrophobicContact CD2-CG 4.13Å; F35-R152 HydrophobicContact CE1-CG 4.06Å; F35-R152 HydrophobicContact CE2-CB 3.5Å; F35-R152 VanDerWaalsContact CE2-CB 3.5Å; F35-R152 HydrophobicContact CE2-CG 3.65Å; F35-R152 HydrophobicContact CZ-CB 3.86Å; F35-R152 HydrophobicContact CZ-CG 3.61Å; F35-E186 HydrophobicContact CB-CG 3.72Å; F35-E186 HydrophobicContact CD1-CG 3.94Å; F35-E186 WeakPolarHBondContact CD1-OE1 3.25Å; F35-E186 WeakPolarHBondContact CD1-OE2 3.04Å; F35-E186 WeakPolarHBondContact CE1-OE2 3.22Å; F35-E186 HydrophobicContact CG-CG 3.96Å
36	E	82.3	Confident	87.1	Confident	67 Å²	67	63.3 Å²	63.3	31%	0.313	32%	0.316	S	S	.	.			trans	-80.8	110.1	175.7	-172.8	69.8	-107.2	0	0	109.9	T25 K28 E38	T25-E36 HydrophobicContact CG2-CB 4.44Å; K28-E36 HydrophobicContact CD-CB 4.12Å; K28-E36 HydrophobicContact CD-CG 4.36Å; K28-E36 IonicContact NZ-OE2 2.67Å; K28-E36 PolarHBondContact NZ-OE2 3.21Å; E36-E38 WeakPolarHBondContact CG-O 3.19Å
37	K	84.3	Confident	87.1	Confident	156 Å²	156	66.9 Å²	66.9	68%	0.678	34%	0.338	S	S	*	.			trans	-80	-35.2	179.1	-66.7	-176.9	-175.8	177	0	112.8	F35 E186	F35-K37 HydrophobicContact CD1-CG 3.82Å; F35-K37 HydrophobicContact CE1-CG 3.96Å; F35-K37 PolarHBondContact O-N 3.25Å; K37-E186 WeakPolarHBondContact CE-OE1 3.48Å; K37-E186 VanDerWaalsContact CE-OE2 3.27Å; K37-E186 WeakPolarHBondContact CE-OE2 3.18Å; K37-E186 IonicContact NZ-OE1 3.65Å
38	E	87.5	Confident	87.2	Confident	148 Å²	148	68.7 Å²	68.7	69%	0.692	35%	0.346	S	S	*	.	S	Bend	trans	-84.7	129.1	-175.8	-66.2	-170.4	175.9	0	0	110.6	E36 V40	E36-E38 WeakPolarHBondContact CG-O 3.19Å; E38-V40 PolarHBondContact O-N 2.88Å
39	Y	87.8	Confident	87.4	Confident	138 Å²	138	68.8 Å²	68.8	54%	0.541	35%	0.352	S	S	.	.			trans	-81.2	106.3	174.7	178.1	-113.5	0	0	0	110.4	A41 Q69	Y39-A41 HydrophobicContact CE1-CB 4.13Å; Y39-A41 WeakPolarHBondContact OH-CB 3.43Å; Y39-Q69 PolarHBondContact OH-NE2 3Å
40	V	88.7	Confident	87.5	Confident	108 Å²	108	69 Å²	69	66%	0.655	35%	0.354	S	S	*	.			trans	-107.5	120.7	165.3	-175.7	0	0	0	0	108.1	E38 T42	E38-V40 PolarHBondContact O-N 2.88Å; V40-T42 PolarHBondContact O-N 3.24Å
41	A	89.5	Confident	87.7	Confident	31 Å²	31	71.2 Å²	71.2	26%	0.256	37%	0.368	S	S	.	.			trans	-69.4	123.7	-180	0	0	0	0	0	110.8	Y39 L43 Q69	Y39-A41 HydrophobicContact CE1-CB 4.13Å; Y39-A41 WeakPolarHBondContact OH-CB 3.43Å; A41-L43 PolarHBondContact O-N 2.71Å; A41-Q69 HydrophobicContact CB-CG 4.43Å
42	T	85.1	Confident	88	Confident	11 Å²	11	68.2 Å²	68.2	7%	0.067	35%	0.352	C	S	.	.			trans	-55.4	133.8	172.1	-37.5	0	0	0	0	110.5	T24 V40 E46 A67	T24-T42 PolarHBondContact OG1-OG1 2.92Å; V40-T42 PolarHBondContact O-N 3.24Å; T42-E46 HydrophobicContact CG2-CG 4.07Å; T42-A67 WeakPolarHBondContact O-CB 3.4Å
43	L	86.6	Confident	88.4	Confident	128 Å²	128	69 Å²	69	67%	0.67	35%	0.35	S	S	*	.			trans	-100.6	111.8	174.8	-60	179	0	0	0	108.7	A41 V45 F72	A41-L43 PolarHBondContact O-N 2.71Å; L43-V45 PolarHBondContact O-N 2.9Å; L43-V45 VanDerWaalsContact O-N 3.14Å; L43-F72 HydrophobicContact CD2-CE2 4.03Å; L43-F72 HydrophobicContact CD2-CZ 3.55Å
44	G	86.8	Confident	89.1	Confident	9 Å²	9	69.3 Å²	69.3	9%	0.093	35%	0.352	C	S	.	.	S	Bend	trans	70.8	-104.2	-177.6	0	0	0	0	0	112.6	A67 Y79	G44-A67 WeakPolarHBondContact O-CB 3.49Å; G44-A67 PolarHBondContact O-N 2.84Å; G44-Y79 VanDerWaalsContact CA-OH 3.29Å; G44-Y79 WeakPolarHBondContact CA-OH 3.15Å
45	V	91.2	Very high	89.8	Confident	39 Å²	39	65.6 Å²	65.6	24%	0.236	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	140.9	-179.4	67	0	0	0	0	111.3	L43 V47 W64 D65 T66 Y79	L43-V45 PolarHBondContact O-N 2.9Å; L43-V45 VanDerWaalsContact O-N 3.14Å; V45-V47 HydrophobicContact CG2-CG2 4.38Å; V45-W64 HydrophobicContact CG1-CE3 4.34Å; V45-W64 HydrophobicContact CG1-CZ3 4.5Å; V45-W64 HydrophobicContact CG2-CB 3.81Å; V45-W64 HydrophobicContact CG2-CD2 4.28Å; V45-W64 HydrophobicContact CG2-CE3 3.87Å; V45-W64 HydrophobicContact CG2-CG 4.33Å; V45-D65 VanDerWaalsContact CA-O 3.31Å; V45-D65 WeakPolarHBondContact CA-O 3.39Å; V45-D65 WeakPolarHBondContact CG2-O 3.32Å; V45-T66 HydrophobicContact CG2-CG2 4.33Å; V45-Y79 HydrophobicContact CB-CD1 3.93Å; V45-Y79 HydrophobicContact CB-CD2 4.4Å; V45-Y79 HydrophobicContact CB-CE1 3.81Å; V45-Y79 HydrophobicContact CB-CE2 4.29Å; V45-Y79 HydrophobicContact CB-CG 4.24Å; V45-Y79 HydrophobicContact CG1-CD1 3.62Å; V45-Y79 HydrophobicContact CG1-CE1 3.3Å; V45-Y79 HydrophobicContact CG1-CG 4.42Å
46	E	92.8	Very high	90.4	Very high	81 Å²	81	70.2 Å²	70.2	38%	0.379	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	133.8	163.6	-67.4	-177.4	-171.7	0	0	109.6	T42 H48 D65	T42-E46 HydrophobicContact CG2-CG 4.07Å; E46-H48 WeakPolarHBondContact CB-NE2 3.33Å; E46-H48 IonicContact OE2-CE1 3.7Å; E46-H48 IonicContact OE2-NE2 3.18Å; E46-H48 PolarHBondContact OE2-NE2 3.32Å; E46-D65 PolarHBondContact N-O 2.94Å; E46-D65 PolarHBondContact O-N 3.04Å
47	V	94.6	Very high	90.9	Very high	76 Å²	76	68.3 Å²	68.3	46%	0.461	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	124.2	-179	-176.1	0	0	0	0	109.7	V45 V63 W64	V45-V47 HydrophobicContact CG2-CG2 4.38Å; V47-V63 WeakPolarHBondContact CA-O 3.19Å; V47-W64 HydrophobicContact CG2-CD2 3.84Å; V47-W64 HydrophobicContact CG2-CE3 4.36Å; V47-W64 HydrophobicContact CG2-CG 4.05Å; V47-W64 HydrophobicContact CG2-CZ2 4.27Å
48	H	93.8	Very high	91.4	Very high	38 Å²	38	63.1 Å²	63.1	18%	0.176	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	135.7	-176.7	-64	-76.1	0	0	0	110.3	M27 L31 E46 N62 V63	M27-H48 HydrophobicContact CE-CB 3.78Å; L31-H48 HydrophobicContact CD1-CB 3.72Å; L31-H48 VanDerWaalsContact CD1-CG 3.48Å; L31-H48 WeakPolarHBondContact CD1-ND1 3.45Å; L31-H48 HydrophobicContact CD2-CB 4.15Å; L31-H48 HydrophobicContact CG-CB 4.42Å; E46-H48 WeakPolarHBondContact CB-NE2 3.33Å; E46-H48 IonicContact OE2-CE1 3.7Å; E46-H48 IonicContact OE2-NE2 3.18Å; E46-H48 PolarHBondContact OE2-NE2 3.32Å; H48-N62 CarbonylContact O-C 3.55Å; H48-V63 PolarHBondContact N-O 3.47Å; H48-V63 PolarHBondContact O-N 3.08Å
49	T	93.7	Very high	91.7	Very high	67 Å²	67	56.3 Å²	56.3	41%	0.411	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	115.5	175.9	-58.6	0	0	0	0	110.1	V51 K60 F61 N62	T49-V51 HydrophobicContact CG2-CG2 4.43Å; T49-K60 HydrophobicContact CG2-CB 4.4Å; T49-K60 HydrophobicContact CG2-CD 4.27Å; T49-F61 WeakPolarHBondContact CA-O 3.43Å; T49-N62 PolarHBondContact OG1-OD1 2.99Å
50	L	92.9	Very high	92.1	Very high	8 Å²	8	52 Å²	52	4%	0.042	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	138.2	170.1	-62.1	-178.9	0	0	0	110.5	M27 H30 L31 F52 K60 F61 V63 F161	M27-L50 HydrophobicContact CE-CD1 3.64Å; M27-L50 HydrophobicContact CE-CD2 4.32Å; M27-L50 HydrophobicContact CE-CG 3.88Å; M27-L50 HydrophobicContact SD-CD1 4.2Å; H30-L50 HydrophobicContact CB-CD1 3.57Å; H30-L50 HydrophobicContact CB-CD2 3.54Å; H30-L50 HydrophobicContact CB-CG 4.21Å; L31-L50 HydrophobicContact CD2-CD2 3.47Å; L31-L50 VanDerWaalsContact CD2-CD2 3.47Å; L31-L50 HydrophobicContact CG-CD2 3.71Å; L50-F52 HydrophobicContact CB-CD2 4.4Å; L50-F52 HydrophobicContact CB-CE2 3.75Å; L50-F52 HydrophobicContact CD1-CE2 4.19Å; L50-F52 HydrophobicContact CD1-CZ 4.35Å; L50-K60 CarbonylContact O-C 3.53Å; L50-K60 VanDerWaalsContact O-CA 3.32Å; L50-K60 WeakPolarHBondContact O-CA 3.44Å; L50-F61 HydrophobicContact CB-CB 4.44Å; L50-F61 PolarHBondContact N-O 3.05Å; L50-F61 PolarHBondContact O-N 3.33Å; L50-V63 HydrophobicContact CD1-CG2 4.04Å; L50-V63 HydrophobicContact CG-CG2 4.32Å; L50-F161 HydrophobicContact CD1-CE1 3.98Å; L50-F161 HydrophobicContact CD1-CE2 3.9Å; L50-F161 HydrophobicContact CD1-CZ 3.49Å; L50-F161 VanDerWaalsContact CD1-CZ 3.49Å
51	V	92.2	Very high	92.5	Very high	60 Å²	60	46.9 Å²	46.9	36%	0.364	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	119.4	177.3	-170.1	0	0	0	0	109.5	T49 P58 I59 K60	T49-V51 HydrophobicContact CG2-CG2 4.43Å; V51-P58 HydrophobicContact CG1-CB 4.04Å; V51-I59 WeakPolarHBondContact CA-O 3.37Å; V51-K60 HydrophobicContact CG1-CG 4.49Å; V51-K60 HydrophobicContact CG2-CG 4.14Å
52	F	92.4	Very high	92.8	Very high	4 Å²	4	46.9 Å²	46.9	2%	0.018	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	129.1	174.7	-65.6	-94.2	0	0	0	109.4	H30 L50 P58 I59 F61 F161 F176 P180	H30-F52 AromaticContact CD2-CZ 3.74Å; L50-F52 HydrophobicContact CB-CD2 4.4Å; L50-F52 HydrophobicContact CB-CE2 3.75Å; L50-F52 HydrophobicContact CD1-CE2 4.19Å; L50-F52 HydrophobicContact CD1-CZ 4.35Å; F52-P58 WeakPolarHBondContact O-CA 3.36Å; F52-I59 PolarHBondContact N-O 3.43Å; F52-I59 PolarHBondContact O-N 3.15Å; F52-F61 AromaticContact CD2-CD2 3.63Å; F52-F61 HydrophobicContact CD2-CD2 3.63Å; F52-F61 HydrophobicContact CD2-CE2 4.07Å; F52-F61 AromaticContact CE2-CD2 3.77Å; F52-F61 HydrophobicContact CE2-CD2 3.77Å; F52-F61 HydrophobicContact CE2-CE2 4.39Å; F52-F161 HydrophobicContact CD2-CB 4.46Å; F52-F161 HydrophobicContact CE1-CB 4.07Å; F52-F161 HydrophobicContact CE1-CD2 4.42Å; F52-F161 HydrophobicContact CE1-CG 4.37Å; F52-F161 HydrophobicContact CE2-CB 3.83Å; F52-F161 AromaticContact CE2-CD1 3.82Å; F52-F161 HydrophobicContact CE2-CD1 3.82Å; F52-F161 HydrophobicContact CE2-CD2 4.11Å; F52-F161 HydrophobicContact CE2-CE1 4.41Å; F52-F161 AromaticContact CE2-CG 3.65Å; F52-F161 HydrophobicContact CE2-CG 3.65Å; F52-F161 HydrophobicContact CZ-CB 3.61Å; F52-F161 HydrophobicContact CZ-CD1 4.11Å; F52-F161 AromaticContact CZ-CD2 3.54Å; F52-F161 HydrophobicContact CZ-CD2 3.54Å; F52-F161 HydrophobicContact CZ-CE2 4.22Å; F52-F161 AromaticContact CZ-CG 3.47Å; F52-F161 HydrophobicContact CZ-CG 3.47Å; F52-F161 VanDerWaalsContact CZ-CG 3.47Å; F52-F176 HydrophobicContact CB-CD1 4.3Å; F52-F176 HydrophobicContact CB-CE1 3.79Å; F52-F176 HydrophobicContact CB-CE2 4.38Å; F52-F176 HydrophobicContact CB-CZ 3.82Å; F52-F176 AromaticContact CD1-CD2 3.97Å; F52-F176 HydrophobicContact CD1-CD2 3.97Å; F52-F176 HydrophobicContact CD1-CE1 4.34Å; F52-F176 AromaticContact CD1-CE2 3.39Å; F52-F176 HydrophobicContact CD1-CE2 3.39Å; F52-F176 AromaticContact CD1-CZ 3.6Å; F52-F176 HydrophobicContact CD1-CZ 3.6Å; F52-F176 AromaticContact CE1-CE2 3.89Å; F52-F176 HydrophobicContact CE1-CE2 3.89Å; F52-F176 HydrophobicContact CE1-CZ 4.31Å; F52-F176 HydrophobicContact CG-CE1 4.26Å; F52-F176 HydrophobicContact CG-CE2 4.07Å; F52-F176 AromaticContact CG-CZ 3.76Å; F52-F176 HydrophobicContact CG-CZ 3.76Å; F52-P180 HydrophobicContact CD1-CG 4.21Å; F52-P180 HydrophobicContact CE1-CG 4Å
53	H	92.6	Very high	93.4	Very high	98 Å²	98	46.4 Å²	46.4	45%	0.454	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	123.9	177.7	-67.4	84.4	0	0	0	109.3	F176 V177	H53-F176 CarbonylContact O-C 3.6Å; H53-F176 WeakPolarHBondContact O-CA 3.09Å; H53-V177 HydrophobicContact CB-CG2 3.9Å; H53-V177 WeakPolarHBondContact O-CG2 3.25Å; H53-V177 PolarHBondContact O-N 2.89Å
54	T	94.2	Very high	93.9	Very high	8 Å²	8	43.4 Å²	43.4	5%	0.049	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	168.5	-177.1	82	0	0	0	0	111.5	R56 G57 I59 L174 E175 F176	T54-R56 PolarHBondContact O-N 2.76Å; T54-R56 PolarHBondContact OG1-N 3.32Å; T54-G57 WeakPolarHBondContact CB-O 3.19Å; T54-G57 PolarHBondContact N-O 2.91Å; T54-G57 PolarHBondContact O-N 3.45Å; T54-G57 VanDerWaalsContact O-N 3.09Å; T54-G57 PolarHBondContact OG1-N 2.83Å; T54-G57 PolarHBondContact OG1-O 2.8Å; T54-I59 HydrophobicContact CG2-CD1 3.8Å; T54-I59 HydrophobicContact CG2-CG1 4.04Å; T54-L174 HydrophobicContact CG2-CD1 4.34Å; T54-L174 HydrophobicContact CG2-CD2 3.98Å; T54-L174 HydrophobicContact CG2-CG 4.28Å; T54-E175 CarbonylContact C-O 3.52Å; T54-E175 WeakPolarHBondContact CA-O 3.47Å; T54-E175 WeakPolarHBondContact CB-O 3.18Å; T54-F176 HydrophobicContact CG2-CD1 3.8Å; T54-F176 HydrophobicContact CG2-CE1 3.93Å
55	N	95.1	Very high	94.3	Very high	57 Å²	57	43 Å²	43	31%	0.305	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	4.1	168.6	67.1	-18.7	0	0	0	114	N173 L174 E175 V177	N55-N173 PolarHBondContact ND2-O 3.48Å; N55-L174 WeakPolarHBondContact OD1-CA 3.36Å; N55-E175 PolarHBondContact N-O 3.24Å; N55-E175 PolarHBondContact OD1-N 2.92Å; N55-E175 PolarHBondContact OD1-O 3.43Å; N55-V177 HydrophobicContact CB-CG1 3.98Å
56	R	94.3	Very high	94.3	Very high	143 Å²	143	41.1 Å²	41.1	54%	0.54	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-121	10.4	172.9	-58.1	-64.5	179.6	-98.8	-6.9	112.8	T54 D171	T54-R56 PolarHBondContact O-N 2.76Å; T54-R56 PolarHBondContact OG1-N 3.32Å; R56-D171 IonicContact CZ-OD2 2.95Å; R56-D171 IonicContact NE-OD2 3.36Å; R56-D171 PolarHBondContact NE-OD2 3.16Å; R56-D171 IonicContact NH2-OD2 2.76Å; R56-D171 PolarHBondContact NH2-OD2 3.08Å
57	G	93.4	Very high	94.1	Very high	26 Å²	26	37.5 Å²	37.5	27%	0.268	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	102.1	-178.1	-175.4	0	0	0	0	0	113.5	T54	T54-G57 WeakPolarHBondContact CB-O 3.19Å; T54-G57 PolarHBondContact N-O 2.91Å; T54-G57 PolarHBondContact O-N 3.45Å; T54-G57 VanDerWaalsContact O-N 3.09Å; T54-G57 PolarHBondContact OG1-N 2.83Å; T54-G57 PolarHBondContact OG1-O 2.8Å
58	P	93.3	Very high	93.6	Very high	48 Å²	48	34.2 Å²	34.2	31%	0.312	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	135.8	-177.6	30	-33.6	0	0	0	111.9	V51 F52	V51-P58 HydrophobicContact CG1-CB 4.04Å; F52-P58 WeakPolarHBondContact O-CA 3.36Å
59	I	94.8	Very high	93	Very high	5 Å²	5	35.4 Å²	35.4	3%	0.026	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	130.9	171.7	-63.4	178.2	0	0	0	108.8	F11 V51 F52 T54 F61 A165 I169 L174	F11-I59 HydrophobicContact CD2-CG2 3.79Å; F11-I59 HydrophobicContact CE2-CG2 3.84Å; V51-I59 WeakPolarHBondContact CA-O 3.37Å; F52-I59 PolarHBondContact N-O 3.43Å; F52-I59 PolarHBondContact O-N 3.15Å; T54-I59 HydrophobicContact CG2-CD1 3.8Å; T54-I59 HydrophobicContact CG2-CG1 4.04Å; I59-F61 HydrophobicContact CG2-CD2 4.39Å; I59-F61 HydrophobicContact CG2-CE2 3.97Å; I59-F61 HydrophobicContact CG2-CZ 4.09Å; I59-A165 HydrophobicContact CD1-CB 4.02Å; I59-I169 HydrophobicContact CD1-CD1 3.86Å; I59-I169 HydrophobicContact CD1-CG1 3.61Å; I59-L174 HydrophobicContact CD1-CD1 3.73Å
60	K	95.3	Very high	92	Very high	47 Å²	47	39.9 Å²	39.9	20%	0.204	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	128.9	176.4	-63.8	-169.8	162.4	-172.1	0	111.2	Q8 V9 Q10 F11 T49 L50 V51	Q8-K60 HydrophobicContact CB-CD 4.24Å; V9-K60 PolarHBondContact O-N 3.35Å; Q10-K60 CarbonylContact C-O 3.58Å; Q10-K60 VanDerWaalsContact CA-O 3.22Å; Q10-K60 WeakPolarHBondContact CA-O 3.25Å; Q10-K60 HydrophobicContact CB-CB 3.82Å; F11-K60 PolarHBondContact N-O 3.13Å; T49-K60 HydrophobicContact CG2-CB 4.4Å; T49-K60 HydrophobicContact CG2-CD 4.27Å; L50-K60 CarbonylContact O-C 3.53Å; L50-K60 VanDerWaalsContact O-CA 3.32Å; L50-K60 WeakPolarHBondContact O-CA 3.44Å; V51-K60 HydrophobicContact CG1-CG 4.49Å; V51-K60 HydrophobicContact CG2-CG 4.14Å
61	F	96.9	Very high	91.1	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	112.6	167.4	-72.2	-67.1	0	0	0	108.9	F11 V13 T49 L50 F52 I59 V63 F161 L164 A165 L168	F11-F61 HydrophobicContact CB-CD1 3.85Å; F11-F61 HydrophobicContact CB-CE1 3.94Å; F11-F61 HydrophobicContact CD2-CD1 4.37Å; F11-F61 AromaticContact CD2-CE1 3.91Å; F11-F61 HydrophobicContact CD2-CE1 3.91Å; F11-F61 HydrophobicContact CD2-CZ 4.47Å; F11-F61 HydrophobicContact CG-CE1 4.3Å; F11-F61 CarbonylContact O-C 3.56Å; F11-F61 WeakPolarHBondContact O-CA 3.4Å; V13-F61 HydrophobicContact CG2-CB 3.67Å; V13-F61 HydrophobicContact CG2-CD1 3.2Å; V13-F61 HydrophobicContact CG2-CE1 4.07Å; V13-F61 HydrophobicContact CG2-CG 3.75Å; T49-F61 WeakPolarHBondContact CA-O 3.43Å; L50-F61 HydrophobicContact CB-CB 4.44Å; L50-F61 PolarHBondContact N-O 3.05Å; L50-F61 PolarHBondContact O-N 3.33Å; F52-F61 AromaticContact CD2-CD2 3.63Å; F52-F61 HydrophobicContact CD2-CD2 3.63Å; F52-F61 HydrophobicContact CD2-CE2 4.07Å; F52-F61 AromaticContact CE2-CD2 3.77Å; F52-F61 HydrophobicContact CE2-CD2 3.77Å; F52-F61 HydrophobicContact CE2-CE2 4.39Å; I59-F61 HydrophobicContact CG2-CD2 4.39Å; I59-F61 HydrophobicContact CG2-CE2 3.97Å; I59-F61 HydrophobicContact CG2-CZ 4.09Å; F61-V63 HydrophobicContact CB-CG2 4.02Å; F61-V63 PolarHBondContact O-N 3.05Å; F61-F161 HydrophobicContact CB-CD1 4.3Å; F61-F161 HydrophobicContact CB-CE1 4.16Å; F61-F161 HydrophobicContact CD2-CB 4.47Å; F61-F161 AromaticContact CD2-CD1 3.57Å; F61-F161 HydrophobicContact CD2-CD1 3.57Å; F61-F161 HydrophobicContact CD2-CE1 4.27Å; F61-F161 HydrophobicContact CD2-CG 4.41Å; F61-F161 HydrophobicContact CE2-CB 4.17Å; F61-F161 AromaticContact CE2-CD1 3.94Å; F61-F161 HydrophobicContact CE2-CD1 3.94Å; F61-F161 AromaticContact CG-CD1 3.91Å; F61-F161 HydrophobicContact CG-CD1 3.91Å; F61-F161 HydrophobicContact CG-CE1 4.22Å; F61-L164 HydrophobicContact CE1-CB 4.39Å; F61-L164 HydrophobicContact CZ-CB 4.2Å; F61-A165 HydrophobicContact CE2-CB 4.35Å; F61-A165 HydrophobicContact CZ-CB 4.07Å; F61-L168 HydrophobicContact CE1-CD1 3.73Å; F61-L168 HydrophobicContact CZ-CD1 4.33Å
62	N	97.1	Very high	89.9	Confident	32 Å²	32	46.7 Å²	46.7	17%	0.171	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	94.1	168.4	-65.1	-50.1	0	0	0	106.8	Q10 F11 K12 V13 H48 T49	Q10-N62 PolarHBondContact OE1-ND2 3.46Å; F11-N62 PolarHBondContact O-N 3.28Å; K12-N62 WeakPolarHBondContact CA-O 3.37Å; V13-N62 PolarHBondContact N-O 3.49Å; H48-N62 CarbonylContact O-C 3.55Å; T49-N62 PolarHBondContact OG1-OD1 2.99Å
63	V	97.1	Very high	88.6	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	121.9	-175.4	-168.5	0	0	0	0	110	V13 L15 M27 V47 H48 L50 F61 F161	V13-V63 HydrophobicContact CB-CB 4.43Å; V13-V63 HydrophobicContact CB-CG1 4.25Å; V13-V63 HydrophobicContact CB-CG2 4.15Å; V13-V63 HydrophobicContact CG2-CG2 4.13Å; V13-V63 CarbonylContact O-C 3.59Å; V13-V63 WeakPolarHBondContact O-CA 3.33Å; L15-V63 HydrophobicContact CB-CG1 3.87Å; L15-V63 HydrophobicContact CD2-CG1 4.46Å; M27-V63 HydrophobicContact CE-CB 3.42Å; M27-V63 VanDerWaalsContact CE-CB 3.42Å; M27-V63 HydrophobicContact CE-CG1 3.82Å; M27-V63 HydrophobicContact CE-CG2 3.63Å; M27-V63 HydrophobicContact CG-CG1 4.23Å; M27-V63 HydrophobicContact SD-CB 3.68Å; M27-V63 HydrophobicContact SD-CG1 3.34Å; M27-V63 WeakPolarHBondContact SD-CG1 3.38Å; M27-V63 HydrophobicContact SD-CG2 3.88Å; V47-V63 WeakPolarHBondContact CA-O 3.19Å; H48-V63 PolarHBondContact N-O 3.47Å; H48-V63 PolarHBondContact O-N 3.08Å; L50-V63 HydrophobicContact CD1-CG2 4.04Å; L50-V63 HydrophobicContact CG-CG2 4.32Å; F61-V63 HydrophobicContact CB-CG2 4.02Å; F61-V63 PolarHBondContact O-N 3.05Å; V63-F161 HydrophobicContact CG2-CE1 3.85Å; V63-F161 HydrophobicContact CG2-CZ 4.07Å
64	W	96.5	Very high	87.4	Confident	65 Å²	65	47.1 Å²	47.1	25%	0.246	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	95.4	175.4	-70.9	51.4	0	0	0	107.1	K12 V13 V14 L15 V45 V47 T66 Y79	K12-W64 HydrophobicContact CD-CD2 4.47Å; K12-W64 HydrophobicContact CD-CZ2 4.37Å; K12-W64 HydrophobicContact CG-CG 4.47Å; V13-W64 PolarHBondContact O-N 3.48Å; V14-W64 HydrophobicContact CG1-CB 4.19Å; L15-W64 PolarHBondContact N-O 3.08Å; V45-W64 HydrophobicContact CG1-CE3 4.34Å; V45-W64 HydrophobicContact CG1-CZ3 4.5Å; V45-W64 HydrophobicContact CG2-CB 3.81Å; V45-W64 HydrophobicContact CG2-CD2 4.28Å; V45-W64 HydrophobicContact CG2-CE3 3.87Å; V45-W64 HydrophobicContact CG2-CG 4.33Å; V47-W64 HydrophobicContact CG2-CD2 3.84Å; V47-W64 HydrophobicContact CG2-CE3 4.36Å; V47-W64 HydrophobicContact CG2-CG 4.05Å; V47-W64 HydrophobicContact CG2-CZ2 4.27Å; W64-T66 PolarHBondContact O-N 2.92Å; W64-Y79 HydrophobicContact CE3-CD1 4.16Å; W64-Y79 HydrophobicContact CZ3-CD1 4.01Å
65	D	95.1	Very high	86.2	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	106.9	173.3	-178.8	28.6	0	0	0	109.1	K23 T24 M27 V45 E46	K23-D65 VanDerWaalsContact CB-OD1 3.3Å; K23-D65 WeakPolarHBondContact CB-OD1 3.28Å; T24-D65 VanDerWaalsContact CA-OD2 3.27Å; T24-D65 WeakPolarHBondContact CA-OD2 3.16Å; T24-D65 VanDerWaalsContact CB-OD2 3.27Å; T24-D65 WeakPolarHBondContact CB-OD2 3.36Å; T24-D65 PolarHBondContact OG1-OD2 3.1Å; M27-D65 HydrophobicContact CG-CB 4.32Å; V45-D65 VanDerWaalsContact CA-O 3.31Å; V45-D65 WeakPolarHBondContact CA-O 3.39Å; V45-D65 WeakPolarHBondContact CG2-O 3.32Å; E46-D65 PolarHBondContact N-O 2.94Å; E46-D65 PolarHBondContact O-N 3.04Å
66	T	92.1	Very high	85.4	Confident	1 Å²	1	50.2 Å²	50.2	1%	0.006	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	149	-173.2	66.2	0	0	0	0	112.5	L15 V16 K23 V45 W64 G68 Y79	L15-T66 PolarHBondContact O-N 3.26Å; L15-T66 VanDerWaalsContact O-N 3.17Å; L15-T66 PolarHBondContact O-OG1 3.22Å; V16-T66 HydrophobicContact CG1-CG2 4.36Å; K23-T66 WeakPolarHBondContact CE-O 3.12Å; V45-T66 HydrophobicContact CG2-CG2 4.33Å; W64-T66 PolarHBondContact O-N 2.92Å; T66-G68 PolarHBondContact O-N 3.32Å; T66-Y79 HydrophobicContact CG2-CD2 4.39Å
67	A	89.4	Confident	84.9	Confident	4 Å²	4	46.2 Å²	46.2	3%	0.033	26%	0.258	C	S	.	.			trans	-62.6	123.2	172.4	0	0	0	0	0	111.5	T42 G44 Q69 F72	T42-A67 WeakPolarHBondContact O-CB 3.4Å; G44-A67 WeakPolarHBondContact O-CB 3.49Å; G44-A67 PolarHBondContact O-N 2.84Å; A67-Q69 VanDerWaalsContact C-N 3.31Å; A67-Q69 PolarHBondContact O-N 3.13Å; A67-F72 HydrophobicContact CB-CB 4.11Å; A67-F72 HydrophobicContact CB-CD2 3.61Å; A67-F72 HydrophobicContact CB-CE2 4.35Å; A67-F72 HydrophobicContact CB-CG 4.12Å
68	G	82.8	Confident	84.7	Confident	8 Å²	8	47.1 Å²	47.1	8%	0.082	27%	0.268	C	S	.	.			trans	-82.7	-3.9	178.3	0	0	0	0	0	115	G17 G19 T66	G17-G68 WeakPolarHBondContact O-CA 3.49Å; G19-G68 PolarHBondContact N-O 2.98Å; G19-G68 VanDerWaalsContact N-O 3.12Å; T66-G68 PolarHBondContact O-N 3.32Å
69	Q	80.7	Confident	84.7	Confident	63 Å²	63	46.9 Å²	46.9	29%	0.294	26%	0.261	S	S	.	.	S	Bend	trans	-80.8	136.7	-176.5	-58.4	-67.7	-29.2	0	0	110.3	Y39 A41 A67 K71 F72 R76	Y39-Q69 PolarHBondContact OH-NE2 3Å; A41-Q69 HydrophobicContact CB-CG 4.43Å; A67-Q69 VanDerWaalsContact C-N 3.31Å; A67-Q69 PolarHBondContact O-N 3.13Å; Q69-K71 HydrophobicContact CB-CG 4.06Å; Q69-K71 PolarHBondContact O-N 2.98Å; Q69-F72 HydrophobicContact CB-CD2 3.85Å; Q69-F72 HydrophobicContact CB-CE2 4.18Å; Q69-F72 PolarHBondContact O-N 3.11Å; Q69-F72 VanDerWaalsContact O-N 3.13Å; Q69-R76 PolarHBondContact O-NH2 3Å
70	E	73.2	Confident	84.7	Confident	160 Å²	160	46.6 Å²	46.6	75%	0.748	26%	0.259	S	S	*	.	G	3₁₀ helix	trans	-60.2	-33.4	-178.1	-66	-167.8	172.2	0	0	113.1	F72 G73	E70-F72 PolarHBondContact O-N 3.37Å; E70-G73 WeakPolarHBondContact O-CA 3.32Å; E70-G73 PolarHBondContact O-N 2.95Å
71	K	74.3	Confident	84.6	Confident	164 Å²	164	48.8 Å²	48.8	71%	0.713	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	-57.9	-17.8	177.4	67.3	-178	179.4	178.7	0	114.4	Q69	Q69-K71 HydrophobicContact CB-CG 4.06Å; Q69-K71 PolarHBondContact O-N 2.98Å
72	F	67.7	Low	84.6	Confident	48 Å²	48	56.5 Å²	56.5	21%	0.211	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-101.3	8.8	175.4	-57.5	-62	0	0	0	113.2	L43 A67 Q69 E70 G74 L75	L43-F72 HydrophobicContact CD2-CE2 4.03Å; L43-F72 HydrophobicContact CD2-CZ 3.55Å; A67-F72 HydrophobicContact CB-CB 4.11Å; A67-F72 HydrophobicContact CB-CD2 3.61Å; A67-F72 HydrophobicContact CB-CE2 4.35Å; A67-F72 HydrophobicContact CB-CG 4.12Å; Q69-F72 HydrophobicContact CB-CD2 3.85Å; Q69-F72 HydrophobicContact CB-CE2 4.18Å; Q69-F72 PolarHBondContact O-N 3.11Å; Q69-F72 VanDerWaalsContact O-N 3.13Å; E70-F72 PolarHBondContact O-N 3.37Å; F72-G74 VanDerWaalsContact C-N 3.3Å; F72-G74 PolarHBondContact O-N 3.01Å; F72-L75 PolarHBondContact O-N 2.78Å
73	G	64.9	Low	84.7	Confident	27 Å²	27	55.3 Å²	55.3	28%	0.278	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	-53.5	-40.5	-177	0	0	0	0	0	114.5	E70 L75 R76	E70-G73 WeakPolarHBondContact O-CA 3.32Å; E70-G73 PolarHBondContact O-N 2.95Å; G73-L75 PolarHBondContact O-N 3.39Å; G73-L75 VanDerWaalsContact O-N 3.16Å; G73-R76 WeakPolarHBondContact O-CB 3.32Å; G73-R76 WeakPolarHBondContact O-CG 3.4Å; G73-R76 PolarHBondContact O-N 3.23Å
74	G	66.3	Low	84.7	Confident	84 Å²	84	59 Å²	59	87%	0.866	32%	0.32	S	S	*	.	G	3₁₀ helix	trans	-66	-17.2	-174.6	0	0	0	0	0	115.9	F72	F72-G74 VanDerWaalsContact C-N 3.3Å; F72-G74 PolarHBondContact O-N 3.01Å
75	L	69.9	Low	84.8	Confident	108 Å²	108	56 Å²	56	57%	0.565	31%	0.309	S	S	*	.	G	3₁₀ helix	trans	-97.2	-5.4	179.2	-65.5	175	0	0	0	113.4	F72 G73 D77 G78 Y79	F72-L75 PolarHBondContact O-N 2.78Å; G73-L75 PolarHBondContact O-N 3.39Å; G73-L75 VanDerWaalsContact O-N 3.16Å; L75-D77 PolarHBondContact O-N 3.2Å; L75-G78 PolarHBondContact O-N 3.01Å; L75-Y79 HydrophobicContact CB-CE2 4.09Å
76	R	77.7	Confident	85	Confident	22 Å²	22	56 Å²	56	8%	0.083	31%	0.309	C	S	.	.	H	α-helix	trans	-64	-40.7	-167.6	-71.5	179	-176.4	172.7	4.7	113.7	Q69 G73 G78 Y79 Y80 W104	Q69-R76 PolarHBondContact O-NH2 3Å; G73-R76 WeakPolarHBondContact O-CB 3.32Å; G73-R76 WeakPolarHBondContact O-CG 3.4Å; G73-R76 PolarHBondContact O-N 3.23Å; R76-G78 PolarHBondContact O-N 2.97Å; R76-Y79 WeakPolarHBondContact O-CA 3.49Å; R76-Y79 WeakPolarHBondContact O-CB 3.46Å; R76-Y79 PolarHBondContact O-N 3.26Å; R76-Y80 HydrophobicContact CB-CE2 3.97Å; R76-Y80 PolarHBondContact O-N 3.48Å; R76-W104 VanDerWaalsContact NH1-CZ3 3.34Å
77	D	84	Confident	85.3	Confident	59 Å²	59	56 Å²	56	32%	0.316	31%	0.309	S	S	.	.	H	α-helix	trans	-58.6	-38.3	-177.2	-71.5	18.6	0	0	0	111.7	L75 Y79 Y80 I81 R110 V111	L75-D77 PolarHBondContact O-N 3.2Å; D77-Y79 VanDerWaalsContact C-N 3.28Å; D77-Y79 PolarHBondContact O-N 3.03Å; D77-Y80 PolarHBondContact O-N 3.29Å; D77-Y80 VanDerWaalsContact O-N 3.07Å; D77-I81 PolarHBondContact O-N 3.27Å; D77-R110 VanDerWaalsContact CG-NH2 3.26Å; D77-R110 IonicContact OD1-CZ 3.22Å; D77-R110 IonicContact OD1-NH2 3.83Å; D77-R110 PolarHBondContact OD1-NH2 2.88Å; D77-R110 IonicContact OD2-CZ 2.83Å; D77-R110 IonicContact OD2-NE 2.76Å; D77-R110 PolarHBondContact OD2-NE 3.26Å; D77-R110 IonicContact OD2-NH2 3.53Å; D77-R110 PolarHBondContact OD2-NH2 3.04Å; D77-V111 HydrophobicContact CB-CG2 4Å
78	G	90.5	Very high	85.7	Confident	45 Å²	45	55.8 Å²	55.8	46%	0.464	31%	0.307	S	S	.	.	H	α-helix	trans	-62.5	-33.5	176	0	0	0	0	0	113.3	L75 R76 Y80	L75-G78 PolarHBondContact O-N 3.01Å; R76-G78 PolarHBondContact O-N 2.97Å; G78-Y80 VanDerWaalsContact C-N 3.32Å
79	Y	92.2	Very high	86.5	Confident	42 Å²	42	55.4 Å²	55.4	17%	0.165	30%	0.303	C	S	.	.	H	α-helix	trans	-72.4	-27	175.3	-56.2	-40.5	0	0	0	112.3	K12 G44 V45 W64 T66 L75 R76 D77	K12-Y79 WeakPolarHBondContact CE-O 3.31Å; K12-Y79 PolarHBondContact NZ-O 2.85Å; G44-Y79 VanDerWaalsContact CA-OH 3.29Å; G44-Y79 WeakPolarHBondContact CA-OH 3.15Å; V45-Y79 HydrophobicContact CB-CD1 3.93Å; V45-Y79 HydrophobicContact CB-CD2 4.4Å; V45-Y79 HydrophobicContact CB-CE1 3.81Å; V45-Y79 HydrophobicContact CB-CE2 4.29Å; V45-Y79 HydrophobicContact CB-CG 4.24Å; V45-Y79 HydrophobicContact CG1-CD1 3.62Å; V45-Y79 HydrophobicContact CG1-CE1 3.3Å; V45-Y79 HydrophobicContact CG1-CG 4.42Å; W64-Y79 HydrophobicContact CE3-CD1 4.16Å; W64-Y79 HydrophobicContact CZ3-CD1 4.01Å; T66-Y79 HydrophobicContact CG2-CD2 4.39Å; L75-Y79 HydrophobicContact CB-CE2 4.09Å; R76-Y79 WeakPolarHBondContact O-CA 3.49Å; R76-Y79 WeakPolarHBondContact O-CB 3.46Å; R76-Y79 PolarHBondContact O-N 3.26Å; D77-Y79 VanDerWaalsContact C-N 3.28Å; D77-Y79 PolarHBondContact O-N 3.03Å
80	Y	94.5	Very high	87.3	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-78.6	-30.4	-179.1	-57	-25.4	0	0	0	113.6	V14 V16 R76 D77 G78 Q82 A83 D107 L108 V111 C112	V14-Y80 HydrophobicContact CB-CD1 4.34Å; V14-Y80 HydrophobicContact CG1-CD1 4.31Å; V14-Y80 HydrophobicContact CG2-CD1 4.28Å; V16-Y80 HydrophobicContact CG1-CD1 4.5Å; V16-Y80 HydrophobicContact CG1-CE1 3.52Å; R76-Y80 HydrophobicContact CB-CE2 3.97Å; R76-Y80 PolarHBondContact O-N 3.48Å; D77-Y80 PolarHBondContact O-N 3.29Å; D77-Y80 VanDerWaalsContact O-N 3.07Å; G78-Y80 VanDerWaalsContact C-N 3.32Å; Y80-Q82 PolarHBondContact O-N 3.49Å; Y80-A83 WeakPolarHBondContact O-CB 3.06Å; Y80-A83 PolarHBondContact O-N 3.33Å; Y80-D107 HydrophobicContact CE2-CB 4.05Å; Y80-L108 HydrophobicContact CD1-CD1 4.39Å; Y80-V111 HydrophobicContact CD2-CB 4.42Å; Y80-V111 HydrophobicContact CD2-CG2 4.06Å; Y80-C112 PolarHBondContact O-SG 3.34Å
81	I	94.9	Very high	88.5	Confident	92 Å²	92	45.3 Å²	45.3	47%	0.472	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-44.7	126.4	-177.2	-67.1	170.7	0	0	0	111.4	K12 D77 A83 V111	K12-I81 PolarHBondContact NZ-O 3.49Å; D77-I81 PolarHBondContact O-N 3.27Å; I81-A83 PolarHBondContact O-N 3.02Å; I81-V111 HydrophobicContact CG1-CG1 4.05Å
82	Q	96.2	Very high	89.6	Confident	162 Å²	162	37.5 Å²	37.5	76%	0.757	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.6	20.1	-179.6	-60.4	170.9	-10.6	0	0	115.2	Y80 Q84	Y80-Q82 PolarHBondContact O-N 3.49Å; Q82-Q84 PolarHBondContact O-N 3.46Å
83	A	98	Very high	91	Very high	7 Å²	7	37.1 Å²	37.1	6%	0.058	22%	0.224	C	C	.	.			trans	-57.6	134.1	165.1	0	0	0	0	0	109.2	V14 Y80 I81 I115	V14-A83 HydrophobicContact CB-CB 4.46Å; V14-A83 HydrophobicContact CG1-CB 3.76Å; V14-A83 HydrophobicContact CG2-CB 3.88Å; Y80-A83 WeakPolarHBondContact O-CB 3.06Å; Y80-A83 PolarHBondContact O-N 3.33Å; I81-A83 PolarHBondContact O-N 3.02Å; A83-I115 HydrophobicContact CB-CD1 4.06Å; A83-I115 WeakPolarHBondContact O-CG2 3.43Å
84	Q	98.4	Very high	92.5	Very high	79 Å²	79	37.6 Å²	37.6	37%	0.369	22%	0.223	S	C	.	.	S	Bend	trans	-98.1	-20.2	177	-70.7	153.7	-76.3	0	0	110.8	F11 K12 Q82 P116 L168	F11-Q84 VanDerWaalsContact CA-OE1 3.29Å; F11-Q84 HydrophobicContact CB-CB 4.35Å; F11-Q84 HydrophobicContact CD1-CB 4.16Å; K12-Q84 PolarHBondContact O-N 3.36Å; Q82-Q84 PolarHBondContact O-N 3.46Å; Q84-P116 WeakPolarHBondContact O-CD 3.34Å; Q84-L168 HydrophobicContact CB-CD2 4.33Å; Q84-L168 WeakPolarHBondContact O-CD2 3.43Å
85	C	98.6	Very high	93.9	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.2	170.7	173.4	54.5	0	0	0	0	110.9	K12 V13 V14 P116 L164 L168	K12-C85 PolarHBondContact O-N 3.08Å; V13-C85 WeakPolarHBondContact CA-O 3.17Å; V13-C85 VanDerWaalsContact CG2-SG 3.59Å; V14-C85 PolarHBondContact N-O 3.03Å; V14-C85 VanDerWaalsContact N-O 3.11Å; C85-P116 CarbonylContact C-O 3.56Å; C85-P116 WeakPolarHBondContact CA-O 3.43Å; C85-P116 HydrophobicContact CB-CB 4.42Å; C85-P116 VanDerWaalsContact CB-O 3.25Å; C85-P116 WeakPolarHBondContact CB-O 3.48Å; C85-L164 HydrophobicContact CB-CD1 4.27Å; C85-L164 HydrophobicContact CB-CD2 3.59Å; C85-L164 HydrophobicContact CB-CG 4.43Å; C85-L168 HydrophobicContact CB-CD1 4.03Å; C85-L168 HydrophobicContact CB-CD2 4.36Å
86	A	98.5	Very high	95.2	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	157.3	178.3	0	0	0	0	0	113.6	V14 L108 I115 P116 I117 V118	V14-A86 HydrophobicContact CG2-CB 3.6Å; V14-A86 VanDerWaalsContact O-CA 3.28Å; V14-A86 WeakPolarHBondContact O-CA 3.29Å; A86-L108 HydrophobicContact CB-CD1 3.57Å; A86-L108 HydrophobicContact CB-CD2 3.89Å; A86-L108 HydrophobicContact CB-CG 4.38Å; A86-I115 HydrophobicContact CB-CD1 4.22Å; A86-P116 PolarHBondContact N-O 2.87Å; A86-I117 HydrophobicContact CB-CG1 4.08Å; A86-I117 HydrophobicContact CB-CG2 4.31Å; A86-I117 WeakPolarHBondContact O-CA 3.38Å; A86-V118 PolarHBondContact O-N 3.15Å
87	I	98.7	Very high	96.1	Very high	1 Å²	1	40 Å²	40	1%	0.005	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	121.7	165.2	-61.1	174.8	0	0	0	107.2	V13 V14 L15 V16 F26 V118 C120 P160 F161 L164	V13-I87 HydrophobicContact CG1-CD1 4.41Å; V13-I87 HydrophobicContact CG1-CG1 4.2Å; V14-I87 PolarHBondContact O-N 3.09Å; L15-I87 WeakPolarHBondContact CA-O 3.32Å; L15-I87 HydrophobicContact CD1-CB 3.72Å; L15-I87 HydrophobicContact CD1-CG2 3.64Å; V16-I87 PolarHBondContact N-O 2.98Å; F26-I87 HydrophobicContact CE1-CD1 4.23Å; I87-V118 CarbonylContact C-O 3.59Å; I87-V118 VanDerWaalsContact CA-O 3.32Å; I87-V118 WeakPolarHBondContact CA-O 3.48Å; I87-V118 HydrophobicContact CG1-CB 4.47Å; I87-C120 HydrophobicContact CG2-CB 4.37Å; I87-P160 HydrophobicContact CD1-CB 3.9Å; I87-P160 HydrophobicContact CG1-CB 4.48Å; I87-F161 HydrophobicContact CD1-CE1 4.26Å; I87-F161 HydrophobicContact CD1-CE2 4.44Å; I87-F161 HydrophobicContact CD1-CZ 4.11Å; I87-L164 HydrophobicContact CD1-CD1 4.21Å; I87-L164 HydrophobicContact CG1-CD1 3.91Å
88	I	98.2	Very high	96.8	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	120.8	170.6	-51.4	-178.1	0	0	0	107.2	V16 V101 W104 H105 I117 V118 L119 C120	V16-I88 HydrophobicContact CG2-CB 4.19Å; V16-I88 HydrophobicContact CG2-CG1 3.69Å; V16-I88 HydrophobicContact CG2-CG2 4.28Å; V16-I88 WeakPolarHBondContact O-CA 3.36Å; I88-V101 HydrophobicContact CG2-CG1 4.18Å; I88-V101 HydrophobicContact CG2-CG2 4.31Å; I88-W104 HydrophobicContact CG2-CB 4.18Å; I88-H105 HydrophobicContact CD1-CB 3.8Å; I88-I117 HydrophobicContact CD1-CG2 3.9Å; I88-I117 HydrophobicContact CG1-CG2 3.85Å; I88-V118 PolarHBondContact N-O 2.96Å; I88-L119 HydrophobicContact CB-CD1 4.07Å; I88-L119 HydrophobicContact CG2-CD1 4.12Å; I88-L119 CarbonylContact O-C 3.47Å; I88-L119 WeakPolarHBondContact O-CA 3.39Å; I88-C120 PolarHBondContact O-N 3.47Å
89	M	98.6	Very high	97.1	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.005	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	131.1	-177.4	-170	-179.9	-67.2	0	0	111.3	L15 V16 G17 K23 F26 C120 N122 I149	L15-M89 HydrophobicContact CD1-CE 4.15Å; V16-M89 PolarHBondContact O-N 2.94Å; G17-M89 WeakPolarHBondContact CA-O 3.42Å; K23-M89 HydrophobicContact CG-CB 4.09Å; K23-M89 HydrophobicContact CG-SD 4.06Å; F26-M89 HydrophobicContact CB-CE 3.71Å; F26-M89 HydrophobicContact CD1-CE 3.95Å; F26-M89 HydrophobicContact CD2-CE 4.19Å; F26-M89 HydrophobicContact CG-CE 3.7Å; M89-C120 WeakPolarHBondContact CA-O 3.22Å; M89-N122 HydrophobicContact CG-CB 3.95Å; M89-N122 HydrophobicContact SD-CB 3.9Å; M89-I149 HydrophobicContact CE-CD1 3.91Å
90	F	98.4	Very high	97.3	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	170	166.1	72.7	-86.2	0	0	0	110.5	V92 Y98 V101 L119 C120 G121 N122 V131 I136 Y146	F90-V92 HydrophobicContact CE2-CG1 3.94Å; F90-Y98 AromaticContact CD1-CD2 3.88Å; F90-Y98 HydrophobicContact CD1-CD2 3.88Å; F90-Y98 AromaticContact CD2-CD2 3.92Å; F90-Y98 HydrophobicContact CD2-CD2 3.92Å; F90-Y98 HydrophobicContact CD2-CG 4.34Å; F90-Y98 AromaticContact CE1-CD2 3.75Å; F90-Y98 HydrophobicContact CE1-CD2 3.75Å; F90-Y98 HydrophobicContact CE1-CE2 4.12Å; F90-Y98 AromaticContact CE2-CD2 3.83Å; F90-Y98 HydrophobicContact CE2-CD2 3.83Å; F90-Y98 HydrophobicContact CE2-CG 4.37Å; F90-Y98 AromaticContact CG-CD2 3.96Å; F90-Y98 HydrophobicContact CG-CD2 3.96Å; F90-Y98 AromaticContact CZ-CD2 3.74Å; F90-Y98 HydrophobicContact CZ-CD2 3.74Å; F90-Y98 HydrophobicContact CZ-CE2 4.22Å; F90-V101 HydrophobicContact CB-CG2 3.99Å; F90-V101 HydrophobicContact CD1-CG2 4.08Å; F90-V101 HydrophobicContact CG-CG2 4.32Å; F90-L119 HydrophobicContact CD1-CD1 3.79Å; F90-L119 HydrophobicContact CD1-CG 4.23Å; F90-L119 HydrophobicContact CE1-CD1 4.02Å; F90-L119 HydrophobicContact CE1-CD2 4.2Å; F90-L119 HydrophobicContact CE1-CG 3.94Å; F90-C120 WeakPolarHBondContact CD1-O 3.34Å; F90-C120 PolarHBondContact N-O 3.43Å; F90-G121 VanDerWaalsContact CZ-CA 3.46Å; F90-N122 PolarHBondContact O-N 2.98Å; F90-V131 HydrophobicContact CE2-CB 4.32Å; F90-V131 HydrophobicContact CE2-CG1 4.04Å; F90-I136 HydrophobicContact CE2-CD1 4.42Å; F90-I136 HydrophobicContact CZ-CD1 3.86Å; F90-I136 HydrophobicContact CZ-CG1 4.24Å; F90-I136 HydrophobicContact CZ-CG2 4.48Å; F90-Y146 AromaticContact CE1-CE2 3.72Å; F90-Y146 HydrophobicContact CE1-CE2 3.72Å; F90-Y146 AromaticContact CZ-CE2 3.85Å; F90-Y146 HydrophobicContact CZ-CE2 3.85Å
91	D	97.8	Very high	97.4	Very high	10 Å²	10	44.9 Å²	44.9	5%	0.053	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	119.1	179.4	-179.8	-14	0	0	0	109.4	T21 T93 S94 T97 K123	T21-D91 HydrophobicContact CG2-CB 4.32Å; D91-T93 PolarHBondContact O-N 3.07Å; D91-T93 VanDerWaalsContact O-N 3.1Å; D91-T93 WeakPolarHBondContact OD1-CA 3.28Å; D91-T93 VanDerWaalsContact OD1-CB 3.29Å; D91-T93 WeakPolarHBondContact OD1-CB 3.38Å; D91-T93 WeakPolarHBondContact OD1-CG2 3.42Å; D91-T93 PolarHBondContact OD1-N 3.09Å; D91-T93 PolarHBondContact OD1-OG1 3.32Å; D91-T93 PolarHBondContact OD2-OG1 3.36Å; D91-T93 VanDerWaalsContact OD2-OG1 3.13Å; D91-S94 CarbonylContact O-C 3.58Å; D91-S94 PolarHBondContact O-N 2.69Å; D91-T97 HydrophobicContact CB-CG2 4.26Å; D91-T97 PolarHBondContact N-OG1 3.27Å; D91-T97 PolarHBondContact O-OG1 3.41Å; D91-K123 WeakPolarHBondContact OD2-CD 3.41Å; D91-K123 VanDerWaalsContact OD2-CE 3.24Å; D91-K123 WeakPolarHBondContact OD2-CE 3.46Å; D91-K123 IonicContact OD2-NZ 2.68Å; D91-K123 PolarHBondContact OD2-NZ 3.35Å
92	V	97.6	Very high	97.5	Very high	1 Å²	1	43.3 Å²	43.3	1%	0.006	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-17.3	-179.5	-58.4	0	0	0	0	113	F90 N122 K123 V124 M129 K130 V131	F90-V92 HydrophobicContact CE2-CG1 3.94Å; V92-N122 VanDerWaalsContact CG2-O 3.29Å; V92-N122 WeakPolarHBondContact CG2-O 3.48Å; V92-N122 PolarHBondContact N-O 3.03Å; V92-K123 HydrophobicContact CG2-CB 4.47Å; V92-K123 WeakPolarHBondContact CG2-O 3.42Å; V92-V124 HydrophobicContact CG1-CG1 3.99Å; V92-V124 HydrophobicContact CG2-CG1 4.19Å; V92-M129 HydrophobicContact CB-CG 4.43Å; V92-M129 HydrophobicContact CB-SD 4.17Å; V92-M129 HydrophobicContact CG2-CB 4.32Å; V92-M129 HydrophobicContact CG2-CG 3.8Å; V92-M129 HydrophobicContact CG2-SD 3.71Å; V92-K130 PolarHBondContact O-N 3.19Å; V92-V131 PolarHBondContact O-N 3.36Å
93	T	96.8	Very high	97.4	Very high	40 Å²	40	38.5 Å²	38.5	25%	0.245	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-7	175.4	75.5	0	0	0	0	112.9	D91 K123 V126 K130	D91-T93 PolarHBondContact O-N 3.07Å; D91-T93 VanDerWaalsContact O-N 3.1Å; D91-T93 WeakPolarHBondContact OD1-CA 3.28Å; D91-T93 VanDerWaalsContact OD1-CB 3.29Å; D91-T93 WeakPolarHBondContact OD1-CB 3.38Å; D91-T93 WeakPolarHBondContact OD1-CG2 3.42Å; D91-T93 PolarHBondContact OD1-N 3.09Å; D91-T93 PolarHBondContact OD1-OG1 3.32Å; D91-T93 PolarHBondContact OD2-OG1 3.36Å; D91-T93 VanDerWaalsContact OD2-OG1 3.13Å; T93-K123 HydrophobicContact CG2-CB 4.37Å; T93-V126 HydrophobicContact CG2-CB 3.62Å; T93-V126 HydrophobicContact CG2-CG1 3.67Å; T93-V126 HydrophobicContact CG2-CG2 4.07Å; T93-K130 WeakPolarHBondContact O-CG 3.44Å
94	S	96.6	Very high	97.3	Very high	37 Å²	37	38.5 Å²	38.5	26%	0.259	20%	0.195	S	C	.	.			trans	-133.1	101	-174.6	-173.3	0	0	0	0	112.5	D91 V96 T97	D91-S94 CarbonylContact O-C 3.58Å; D91-S94 PolarHBondContact O-N 2.69Å; S94-V96 PolarHBondContact O-N 3.28Å; S94-V96 VanDerWaalsContact O-N 3.17Å; S94-V96 VanDerWaalsContact OG-CG1 3.32Å; S94-V96 WeakPolarHBondContact OG-CG1 3.33Å; S94-T97 PolarHBondContact O-N 2.95Å; S94-T97 PolarHBondContact O-OG1 2.76Å
95	R	96.4	Very high	97.2	Very high	178 Å²	178	35.7 Å²	35.7	67%	0.672	18%	0.181	S	C	*	.	H	α-helix	trans	-56.1	-35	-178.1	-64.7	-174.6	177.5	176.8	2.8	113.8	T97 Y98 K99 K130 V131	R95-T97 VanDerWaalsContact C-N 3.26Å; R95-T97 PolarHBondContact O-N 2.99Å; R95-Y98 PolarHBondContact O-N 3.16Å; R95-K99 PolarHBondContact O-N 3.23Å; R95-K130 HydrophobicContact CG-CB 3.75Å; R95-K130 PolarHBondContact NE-O 3.23Å; R95-K130 VanDerWaalsContact NE-O 3.15Å; R95-V131 HydrophobicContact CB-CG2 4.43Å; R95-V131 HydrophobicContact CG-CG2 4.08Å
96	V	96.4	Very high	97	Very high	79 Å²	79	42.5 Å²	42.5	48%	0.479	21%	0.211	S	C	.	.	H	α-helix	trans	-61.5	-37.7	-179.8	62.4	0	0	0	0	111.3	S94 Y98 K99 N100	S94-V96 PolarHBondContact O-N 3.28Å; S94-V96 VanDerWaalsContact O-N 3.17Å; S94-V96 VanDerWaalsContact OG-CG1 3.32Å; S94-V96 WeakPolarHBondContact OG-CG1 3.33Å; V96-Y98 VanDerWaalsContact C-N 3.3Å; V96-Y98 PolarHBondContact O-N 3.36Å; V96-K99 WeakPolarHBondContact O-CB 3.47Å; V96-K99 PolarHBondContact O-N 3Å; V96-N100 PolarHBondContact O-N 3.37Å; V96-N100 PolarHBondContact O-ND2 3.35Å
97	T	97.6	Very high	96.7	Very high	8 Å²	8	44 Å²	44	5%	0.049	22%	0.219	C	C	.	.	H	α-helix	trans	-66.2	-34.5	180	69.3	0	0	0	0	112.1	D18 T21 D91 S94 R95	D18-T97 HydrophobicContact CB-CG2 3.84Å; D18-T97 WeakPolarHBondContact OD2-CA 3.42Å; T21-T97 HydrophobicContact CG2-CG2 3.87Å; D91-T97 HydrophobicContact CB-CG2 4.26Å; D91-T97 PolarHBondContact N-OG1 3.27Å; D91-T97 PolarHBondContact O-OG1 3.41Å; S94-T97 PolarHBondContact O-N 2.95Å; S94-T97 PolarHBondContact O-OG1 2.76Å; R95-T97 VanDerWaalsContact C-N 3.26Å; R95-T97 PolarHBondContact O-N 2.99Å
98	Y	97.9	Very high	96.5	Very high	37 Å²	37	43.9 Å²	43.9	15%	0.145	22%	0.218	C	C	.	.	H	α-helix	trans	-72.1	-43	172.4	-174.7	-109.2	0	0	0	111.9	F90 R95 V96 N100 V101 L119 V131 P135 I136 L137 F138	F90-Y98 AromaticContact CD1-CD2 3.88Å; F90-Y98 HydrophobicContact CD1-CD2 3.88Å; F90-Y98 AromaticContact CD2-CD2 3.92Å; F90-Y98 HydrophobicContact CD2-CD2 3.92Å; F90-Y98 HydrophobicContact CD2-CG 4.34Å; F90-Y98 AromaticContact CE1-CD2 3.75Å; F90-Y98 HydrophobicContact CE1-CD2 3.75Å; F90-Y98 HydrophobicContact CE1-CE2 4.12Å; F90-Y98 AromaticContact CE2-CD2 3.83Å; F90-Y98 HydrophobicContact CE2-CD2 3.83Å; F90-Y98 HydrophobicContact CE2-CG 4.37Å; F90-Y98 AromaticContact CG-CD2 3.96Å; F90-Y98 HydrophobicContact CG-CD2 3.96Å; F90-Y98 AromaticContact CZ-CD2 3.74Å; F90-Y98 HydrophobicContact CZ-CD2 3.74Å; F90-Y98 HydrophobicContact CZ-CE2 4.22Å; R95-Y98 PolarHBondContact O-N 3.16Å; V96-Y98 VanDerWaalsContact C-N 3.3Å; V96-Y98 PolarHBondContact O-N 3.36Å; Y98-N100 PolarHBondContact O-N 3.3Å; Y98-N100 VanDerWaalsContact O-N 3.16Å; Y98-V101 HydrophobicContact CD2-CG2 4.2Å; Y98-V101 VanDerWaalsContact O-CB 3.31Å; Y98-V101 WeakPolarHBondContact O-CB 3.45Å; Y98-V101 WeakPolarHBondContact O-CG2 3.35Å; Y98-V101 PolarHBondContact O-N 2.97Å; Y98-L119 HydrophobicContact CE2-CD2 4.33Å; Y98-V131 HydrophobicContact CD1-CG1 4.2Å; Y98-V131 HydrophobicContact CD2-CG1 4.47Å; Y98-V131 HydrophobicContact CG-CG1 4.03Å; Y98-P135 WeakPolarHBondContact CE1-O 3.48Å; Y98-P135 PolarHBondContact OH-O 2.74Å; Y98-I136 HydrophobicContact CE2-CB 4.37Å; Y98-I136 HydrophobicContact CE2-CG1 4.24Å; Y98-I136 HydrophobicContact CE2-CG2 3.89Å; Y98-I136 VanDerWaalsContact OH-CA 3.28Å; Y98-I136 WeakPolarHBondContact OH-CA 3.28Å; Y98-L137 PolarHBondContact OH-N 3.24Å; Y98-F138 WeakPolarHBondContact OH-CB 3.32Å; Y98-F138 PolarHBondContact OH-N 2.94Å; Y98-F138 VanDerWaalsContact OH-N 3.08Å
99	K	96.6	Very high	96.4	Very high	168 Å²	168	46.1 Å²	46.1	73%	0.73	23%	0.232	S	C	*	.	H	α-helix	trans	-57.3	-29.6	176	-176.9	176.6	178.4	178.9	0	112.6	R95 V96 P102	R95-K99 PolarHBondContact O-N 3.23Å; V96-K99 WeakPolarHBondContact O-CB 3.47Å; V96-K99 PolarHBondContact O-N 3Å; K99-P102 VanDerWaalsContact O-CD 3.32Å; K99-P102 WeakPolarHBondContact O-CD 3.31Å
100	N	96.2	Very high	96.2	Very high	41 Å²	41	52.3 Å²	52.3	22%	0.219	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-12	179.5	-71.3	-16.4	0	0	0	114.2	D18 V96 Y98 P102 S103 W104	D18-N100 WeakPolarHBondContact OD1-CB 3.43Å; D18-N100 PolarHBondContact OD2-ND2 3.07Å; V96-N100 PolarHBondContact O-N 3.37Å; V96-N100 PolarHBondContact O-ND2 3.35Å; Y98-N100 PolarHBondContact O-N 3.3Å; Y98-N100 VanDerWaalsContact O-N 3.16Å; N100-P102 VanDerWaalsContact C-CD 3.48Å; N100-S103 VanDerWaalsContact O-CB 3.32Å; N100-S103 WeakPolarHBondContact O-CB 3.28Å; N100-S103 PolarHBondContact O-N 3.05Å; N100-W104 VanDerWaalsContact O-CD1 3.27Å; N100-W104 PolarHBondContact O-N 3.26Å
101	V	97.2	Very high	96.1	Very high	1 Å²	1	54.6 Å²	54.6	1%	0.006	27%	0.269	C	S	.	.	H	α-helix	trans	-51.9	-44.8	178.1	168.2	0	0	0	0	113	I88 F90 Y98 S103 W104 H105 L119 F138	I88-V101 HydrophobicContact CG2-CG1 4.18Å; I88-V101 HydrophobicContact CG2-CG2 4.31Å; F90-V101 HydrophobicContact CB-CG2 3.99Å; F90-V101 HydrophobicContact CD1-CG2 4.08Å; F90-V101 HydrophobicContact CG-CG2 4.32Å; Y98-V101 HydrophobicContact CD2-CG2 4.2Å; Y98-V101 VanDerWaalsContact O-CB 3.31Å; Y98-V101 WeakPolarHBondContact O-CB 3.45Å; Y98-V101 WeakPolarHBondContact O-CG2 3.35Å; Y98-V101 PolarHBondContact O-N 2.97Å; V101-S103 PolarHBondContact O-N 2.92Å; V101-W104 PolarHBondContact O-N 2.77Å; V101-H105 WeakPolarHBondContact O-CB 3.32Å; V101-H105 PolarHBondContact O-N 3.28Å; V101-L119 HydrophobicContact CB-CD1 4.47Å; V101-L119 HydrophobicContact CG1-CD1 3.64Å; V101-L119 HydrophobicContact CG1-CD2 4.43Å; V101-L119 HydrophobicContact CG2-CD1 3.92Å; V101-F138 HydrophobicContact CG1-CD1 3.47Å; V101-F138 VanDerWaalsContact CG1-CD1 3.47Å; V101-F138 HydrophobicContact CG1-CE1 3.74Å; V101-F138 HydrophobicContact CG1-CG 4.13Å
102	P	96.4	Very high	96	Very high	59 Å²	59	54.7 Å²	54.7	38%	0.383	27%	0.27	S	S	.	.	H	α-helix	trans	-57.3	-35.3	176.1	-25.1	34.3	0	0	0	114	K99 N100 K106 F138	K99-P102 VanDerWaalsContact O-CD 3.32Å; K99-P102 WeakPolarHBondContact O-CD 3.31Å; N100-P102 VanDerWaalsContact C-CD 3.48Å; P102-K106 VanDerWaalsContact O-CB 3.27Å; P102-K106 WeakPolarHBondContact O-CB 3.45Å; P102-K106 PolarHBondContact O-N 2.84Å; P102-F138 HydrophobicContact CB-CD2 4.27Å; P102-F138 HydrophobicContact CB-CE2 3.65Å; P102-F138 HydrophobicContact CB-CZ 4.16Å; P102-F138 HydrophobicContact CG-CD2 3.76Å; P102-F138 HydrophobicContact CG-CE2 3.67Å; P102-F138 HydrophobicContact CG-CZ 4.39Å
103	S	94.3	Very high	95.8	Very high	62 Å²	62	61.8 Å²	61.8	43%	0.434	30%	0.303	S	S	.	.	H	α-helix	trans	-67.4	-50.3	177.9	-169.1	0	0	0	0	111	N100 V101 H105 K106 D107	N100-S103 VanDerWaalsContact O-CB 3.32Å; N100-S103 WeakPolarHBondContact O-CB 3.28Å; N100-S103 PolarHBondContact O-N 3.05Å; V101-S103 PolarHBondContact O-N 2.92Å; S103-H105 VanDerWaalsContact C-N 3.32Å; S103-H105 PolarHBondContact O-N 2.73Å; S103-K106 WeakPolarHBondContact O-CB 3.37Å; S103-K106 PolarHBondContact O-N 2.86Å; S103-K106 VanDerWaalsContact O-N 3.15Å; S103-D107 PolarHBondContact O-N 2.92Å
104	W	95.5	Very high	95.7	Very high	7 Å²	7	67.4 Å²	67.4	3%	0.027	33%	0.332	C	S	.	.	H	α-helix	trans	-57.9	-43.5	175.4	-72.5	106.9	0	0	0	112.7	V16 G17 D18 R76 I88 N100 V101 L108	V16-W104 HydrophobicContact CB-CD2 4.45Å; V16-W104 HydrophobicContact CB-CE3 3.77Å; V16-W104 HydrophobicContact CB-CZ3 4.05Å; V16-W104 HydrophobicContact CG1-CE3 4.46Å; V16-W104 HydrophobicContact CG2-CB 4.44Å; V16-W104 HydrophobicContact CG2-CE3 4.36Å; G17-W104 VanDerWaalsContact C-CE2 3.42Å; G17-W104 VanDerWaalsContact O-CZ2 3.22Å; G17-W104 WeakPolarHBondContact O-CZ2 3.22Å; D18-W104 PolarHBondContact OD1-NE1 2.7Å; R76-W104 VanDerWaalsContact NH1-CZ3 3.34Å; I88-W104 HydrophobicContact CG2-CB 4.18Å; N100-W104 VanDerWaalsContact O-CD1 3.27Å; N100-W104 PolarHBondContact O-N 3.26Å; V101-W104 PolarHBondContact O-N 2.77Å; W104-L108 VanDerWaalsContact O-CB 3.29Å; W104-L108 WeakPolarHBondContact O-CB 3.4Å; W104-L108 PolarHBondContact O-N 2.49Å
105	H	96.2	Very high	95.7	Very high	19 Å²	19	67 Å²	67	9%	0.088	33%	0.326	C	S	.	.	H	α-helix	trans	-62.8	-46.1	175.9	176.3	-81.2	0	0	0	111.4	I88 V101 S103 D107 L108 V109 F138	I88-H105 HydrophobicContact CD1-CB 3.8Å; V101-H105 WeakPolarHBondContact O-CB 3.32Å; V101-H105 PolarHBondContact O-N 3.28Å; S103-H105 VanDerWaalsContact C-N 3.32Å; S103-H105 PolarHBondContact O-N 2.73Å; H105-D107 PolarHBondContact O-N 2.93Å; H105-L108 PolarHBondContact O-N 3.01Å; H105-V109 WeakPolarHBondContact O-CG1 3.47Å; H105-V109 WeakPolarHBondContact O-CG2 3.43Å; H105-V109 PolarHBondContact O-N 3.04Å; H105-F138 HydrophobicContact CB-CE1 3.66Å; H105-F138 HydrophobicContact CB-CZ 3.6Å; H105-F138 AromaticContact CD2-CE1 3.91Å; H105-F138 AromaticContact CG-CE1 3.72Å; H105-F138 AromaticContact CG-CZ 3.61Å; H105-F138 AromaticContact ND1-CZ 3.92Å
106	K	94.4	Very high	95.8	Very high	144 Å²	144	59.9 Å²	59.9	63%	0.626	30%	0.304	S	S	*	.	H	α-helix	trans	-58.6	-46.1	179.3	-179.4	-177.6	177.4	-178.5	0	111.9	P102 S103 R110	P102-K106 VanDerWaalsContact O-CB 3.27Å; P102-K106 WeakPolarHBondContact O-CB 3.45Å; P102-K106 PolarHBondContact O-N 2.84Å; S103-K106 WeakPolarHBondContact O-CB 3.37Å; S103-K106 PolarHBondContact O-N 2.86Å; S103-K106 VanDerWaalsContact O-N 3.15Å; K106-R110 WeakPolarHBondContact O-CB 3.01Å; K106-R110 PolarHBondContact O-N 3.5Å; K106-R110 VanDerWaalsContact O-N 3.13Å
107	D	93.3	Very high	95.9	Very high	30 Å²	30	56.5 Å²	56.5	16%	0.16	28%	0.283	C	S	.	.	H	α-helix	trans	-65.9	-39.9	178.5	-72.2	-24.3	0	0	0	111.8	Y80 S103 H105 R110	Y80-D107 HydrophobicContact CE2-CB 4.05Å; S103-D107 PolarHBondContact O-N 2.92Å; H105-D107 PolarHBondContact O-N 2.93Å; D107-R110 WeakPolarHBondContact O-CB 3.4Å; D107-R110 IonicContact OD1-CZ 2.8Å; D107-R110 IonicContact OD1-NH1 3.85Å; D107-R110 PolarHBondContact OD1-NH1 3.37Å; D107-R110 IonicContact OD1-NH2 2.74Å; D107-R110 PolarHBondContact OD1-NH2 2.8Å
108	L	94.8	Very high	96	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-62.9	-52.5	177.7	-176.8	111	0	0	0	112	V14 Y80 A86 W104 H105 R110 V111 C112 I115 I117	V14-L108 HydrophobicContact CG2-CD1 3.31Å; Y80-L108 HydrophobicContact CD1-CD1 4.39Å; A86-L108 HydrophobicContact CB-CD1 3.57Å; A86-L108 HydrophobicContact CB-CD2 3.89Å; A86-L108 HydrophobicContact CB-CG 4.38Å; W104-L108 VanDerWaalsContact O-CB 3.29Å; W104-L108 WeakPolarHBondContact O-CB 3.4Å; W104-L108 PolarHBondContact O-N 2.49Å; H105-L108 PolarHBondContact O-N 3.01Å; L108-R110 PolarHBondContact O-N 2.83Å; L108-V111 PolarHBondContact O-N 3.27Å; L108-V111 VanDerWaalsContact O-N 3.08Å; L108-C112 PolarHBondContact O-N 2.95Å; L108-I115 HydrophobicContact CD2-CD1 4.1Å; L108-I115 HydrophobicContact CD2-CG1 4.42Å; L108-I115 HydrophobicContact CG-CD1 4.47Å; L108-I117 HydrophobicContact CD2-CD1 3.29Å; L108-I117 HydrophobicContact CD2-CG1 3.72Å
109	V	95.4	Very high	96	Very high	46 Å²	46	54.4 Å²	54.4	28%	0.279	27%	0.273	S	S	.	.	H	α-helix	trans	-73	-17.3	-176.5	-56.9	0	0	0	0	113.1	H105 V111 I117	H105-V109 WeakPolarHBondContact O-CG1 3.47Å; H105-V109 WeakPolarHBondContact O-CG2 3.43Å; H105-V109 PolarHBondContact O-N 3.04Å; V109-V111 PolarHBondContact O-N 2.95Å; V109-I117 HydrophobicContact CG1-CD1 4.08Å
110	R	94.2	Very high	96.1	Very high	132 Å²	132	46.4 Å²	46.4	50%	0.498	24%	0.239	S	C	.	.	H	α-helix	trans	-61.9	-33.2	168.2	177.7	176.7	69.6	-126.8	0.3	111.8	D77 K106 D107 L108	D77-R110 VanDerWaalsContact CG-NH2 3.26Å; D77-R110 IonicContact OD1-CZ 3.22Å; D77-R110 IonicContact OD1-NH2 3.83Å; D77-R110 PolarHBondContact OD1-NH2 2.88Å; D77-R110 IonicContact OD2-CZ 2.83Å; D77-R110 IonicContact OD2-NE 2.76Å; D77-R110 PolarHBondContact OD2-NE 3.26Å; D77-R110 IonicContact OD2-NH2 3.53Å; D77-R110 PolarHBondContact OD2-NH2 3.04Å; K106-R110 WeakPolarHBondContact O-CB 3.01Å; K106-R110 PolarHBondContact O-N 3.5Å; K106-R110 VanDerWaalsContact O-N 3.13Å; D107-R110 WeakPolarHBondContact O-CB 3.4Å; D107-R110 IonicContact OD1-CZ 2.8Å; D107-R110 IonicContact OD1-NH1 3.85Å; D107-R110 PolarHBondContact OD1-NH1 3.37Å; D107-R110 IonicContact OD1-NH2 2.74Å; D107-R110 PolarHBondContact OD1-NH2 2.8Å; L108-R110 PolarHBondContact O-N 2.83Å
111	V	95.7	Very high	96.2	Very high	48 Å²	48	44.4 Å²	44.4	29%	0.291	23%	0.228	S	C	.	.	H	α-helix	trans	-99.2	-38.8	-177.7	-176.6	0	0	0	0	111.9	D77 Y80 I81 L108 V109	D77-V111 HydrophobicContact CB-CG2 4Å; Y80-V111 HydrophobicContact CD2-CB 4.42Å; Y80-V111 HydrophobicContact CD2-CG2 4.06Å; I81-V111 HydrophobicContact CG1-CG1 4.05Å; L108-V111 PolarHBondContact O-N 3.27Å; L108-V111 VanDerWaalsContact O-N 3.08Å; V109-V111 PolarHBondContact O-N 2.95Å
112	C	95.7	Very high	96.2	Very high	12 Å²	12	44.6 Å²	44.6	8%	0.081	23%	0.229	C	C	.	.	S	Bend	trans	-126.9	94.3	-177.6	-66.6	0	0	0	0	110.9	Y80 L108 I115	Y80-C112 PolarHBondContact O-SG 3.34Å; L108-C112 PolarHBondContact O-N 2.95Å; C112-I115 HydrophobicContact CB-CD1 3.74Å; C112-I115 HydrophobicContact CB-CG1 4.18Å; C112-I115 HydrophobicContact CB-CG2 3.99Å
113	E	94.5	Very high	96.2	Very high	149 Å²	149	44.5 Å²	44.5	70%	0.696	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.5	142.4	175.6	-62.2	-177.8	-171.3	0	0	111.3	I115	E113-I115 VanDerWaalsContact C-N 3.27Å; E113-I115 PolarHBondContact O-N 3.37Å; E113-I115 VanDerWaalsContact O-N 3.14Å
114	N	93.7	Very high	96.3	Very high	159 Å²	159	41.5 Å²	41.5	85%	0.85	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.9	23.7	169	-55.6	-51.4	0	0	0	117
115	I	97.8	Very high	96.2	Very high	27 Å²	27	42.9 Å²	42.9	14%	0.138	21%	0.21	C	C	.	.			trans	-79.1	148.2	172.4	63.7	170.4	0	0	0	111.4	A83 A86 L108 C112 E113 I117	A83-I115 HydrophobicContact CB-CD1 4.06Å; A83-I115 WeakPolarHBondContact O-CG2 3.43Å; A86-I115 HydrophobicContact CB-CD1 4.22Å; L108-I115 HydrophobicContact CD2-CD1 4.1Å; L108-I115 HydrophobicContact CD2-CG1 4.42Å; L108-I115 HydrophobicContact CG-CD1 4.47Å; C112-I115 HydrophobicContact CB-CD1 3.74Å; C112-I115 HydrophobicContact CB-CG1 4.18Å; C112-I115 HydrophobicContact CB-CG2 3.99Å; E113-I115 VanDerWaalsContact C-N 3.27Å; E113-I115 PolarHBondContact O-N 3.37Å; E113-I115 VanDerWaalsContact O-N 3.14Å; I115-I117 HydrophobicContact CG1-CD1 4.37Å; I115-I117 HydrophobicContact CG1-CG1 4.04Å; I115-I117 WeakPolarHBondContact O-CG1 3.41Å; I115-I117 PolarHBondContact O-N 2.99Å
116	P	98.4	Very high	96.1	Very high	30 Å²	30	44.5 Å²	44.5	20%	0.195	22%	0.221	C	C	.	.			trans	-61.8	128.3	170.6	-23.1	34.5	0	0	0	111.3	Q84 C85 A86 W163 L164 K167 L168	Q84-P116 WeakPolarHBondContact O-CD 3.34Å; C85-P116 CarbonylContact C-O 3.56Å; C85-P116 WeakPolarHBondContact CA-O 3.43Å; C85-P116 HydrophobicContact CB-CB 4.42Å; C85-P116 VanDerWaalsContact CB-O 3.25Å; C85-P116 WeakPolarHBondContact CB-O 3.48Å; A86-P116 PolarHBondContact N-O 2.87Å; P116-W163 HydrophobicContact CB-CH2 4.25Å; P116-W163 HydrophobicContact CB-CZ3 3.77Å; P116-L164 HydrophobicContact CB-CD2 3.81Å; P116-K167 HydrophobicContact CB-CB 4.04Å; P116-K167 HydrophobicContact CG-CB 3.97Å; P116-L168 HydrophobicContact CG-CD2 4.12Å; P116-L168 HydrophobicContact CG-CG 4.43Å
117	I	98.6	Very high	95.8	Very high	8 Å²	8	47.2 Å²	47.2	4%	0.041	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	132.9	-179	-56.4	159	0	0	0	109.3	A86 I88 L108 V109 I115 L144 Q145	A86-I117 HydrophobicContact CB-CG1 4.08Å; A86-I117 HydrophobicContact CB-CG2 4.31Å; A86-I117 WeakPolarHBondContact O-CA 3.38Å; I88-I117 HydrophobicContact CD1-CG2 3.9Å; I88-I117 HydrophobicContact CG1-CG2 3.85Å; L108-I117 HydrophobicContact CD2-CD1 3.29Å; L108-I117 HydrophobicContact CD2-CG1 3.72Å; V109-I117 HydrophobicContact CG1-CD1 4.08Å; I115-I117 HydrophobicContact CG1-CD1 4.37Å; I115-I117 HydrophobicContact CG1-CG1 4.04Å; I115-I117 WeakPolarHBondContact O-CG1 3.41Å; I115-I117 PolarHBondContact O-N 2.99Å; I117-L144 HydrophobicContact CB-CD2 3.89Å; I117-L144 HydrophobicContact CD1-CD2 4.22Å; I117-L144 HydrophobicContact CG2-CD1 4.17Å; I117-L144 HydrophobicContact CG2-CD2 4.27Å; I117-Q145 PolarHBondContact O-N 2.84Å
118	V	98.7	Very high	95.6	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	131.2	171.1	-175.6	0	0	0	0	109.3	A86 I87 I88 Q145 Y147 P160 W163 L164	A86-V118 PolarHBondContact O-N 3.15Å; I87-V118 CarbonylContact C-O 3.59Å; I87-V118 VanDerWaalsContact CA-O 3.32Å; I87-V118 WeakPolarHBondContact CA-O 3.48Å; I87-V118 HydrophobicContact CG1-CB 4.47Å; I88-V118 PolarHBondContact N-O 2.96Å; V118-Q145 CarbonylContact C-O 3.58Å; V118-Q145 WeakPolarHBondContact CA-O 3.28Å; V118-Q145 HydrophobicContact CG2-CB 4.37Å; V118-Y147 HydrophobicContact CG1-CD2 3.74Å; V118-Y147 HydrophobicContact CG1-CE2 4.29Å; V118-P160 HydrophobicContact CB-CB 4.43Å; V118-P160 HydrophobicContact CG1-CB 4.01Å; V118-P160 HydrophobicContact CG1-CG 4.4Å; V118-W163 HydrophobicContact CG2-CD2 4.3Å; V118-W163 HydrophobicContact CG2-CE3 3.48Å; V118-W163 VanDerWaalsContact CG2-CE3 3.48Å; V118-W163 HydrophobicContact CG2-CZ3 3.9Å; V118-L164 HydrophobicContact CG2-CD1 4.32Å; V118-L164 HydrophobicContact CG2-CD2 3.85Å; V118-L164 HydrophobicContact CG2-CG 3.75Å
119	L	98.6	Very high	95.4	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	124.7	168.6	-179.4	65.3	0	0	0	109.1	I88 F90 Y98 V101 I136 H139 Q145 Y146 Y147	I88-L119 HydrophobicContact CB-CD1 4.07Å; I88-L119 HydrophobicContact CG2-CD1 4.12Å; I88-L119 CarbonylContact O-C 3.47Å; I88-L119 WeakPolarHBondContact O-CA 3.39Å; F90-L119 HydrophobicContact CD1-CD1 3.79Å; F90-L119 HydrophobicContact CD1-CG 4.23Å; F90-L119 HydrophobicContact CE1-CD1 4.02Å; F90-L119 HydrophobicContact CE1-CD2 4.2Å; F90-L119 HydrophobicContact CE1-CG 3.94Å; Y98-L119 HydrophobicContact CE2-CD2 4.33Å; V101-L119 HydrophobicContact CB-CD1 4.47Å; V101-L119 HydrophobicContact CG1-CD1 3.64Å; V101-L119 HydrophobicContact CG1-CD2 4.43Å; V101-L119 HydrophobicContact CG2-CD1 3.92Å; L119-I136 HydrophobicContact CD2-CG2 4.4Å; L119-H139 HydrophobicContact CD2-CB 4.09Å; L119-Q145 PolarHBondContact N-O 2.93Å; L119-Y146 HydrophobicContact CB-CD2 4.12Å; L119-Y146 HydrophobicContact CD2-CD2 3.95Å; L119-Y146 HydrophobicContact CD2-CE2 4.43Å; L119-Y146 HydrophobicContact CG-CD2 3.88Å; L119-Y146 HydrophobicContact CG-CE2 4.29Å; L119-Y146 WeakPolarHBondContact O-CA 2.88Å; L119-Y146 VanDerWaalsContact O-CD2 3.28Å; L119-Y146 WeakPolarHBondContact O-CD2 3.09Å; L119-Y147 PolarHBondContact O-N 3.46Å
120	C	98.6	Very high	95.3	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	123.5	179.7	-66.8	0	0	0	0	111.4	I87 I88 M89 F90 Y147 I149 P160	I87-C120 HydrophobicContact CG2-CB 4.37Å; I88-C120 PolarHBondContact O-N 3.47Å; M89-C120 WeakPolarHBondContact CA-O 3.22Å; F90-C120 WeakPolarHBondContact CD1-O 3.34Å; F90-C120 PolarHBondContact N-O 3.43Å; C120-Y147 WeakPolarHBondContact CA-O 3.45Å; C120-I149 HydrophobicContact CB-CD1 3.76Å; C120-I149 HydrophobicContact CB-CG1 4.14Å; C120-P160 VanDerWaalsContact SG-CG 3.52Å
121	G	98.3	Very high	95.3	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	102.7	165.9	0	0	0	0	0	109.6	F90 Y147 I149	F90-G121 VanDerWaalsContact CZ-CA 3.46Å; G121-Y147 PolarHBondContact N-O 2.89Å; G121-I149 PolarHBondContact O-N 3.46Å
122	N	98.1	Very high	95	Very high	4 Å²	4	51.8 Å²	51.8	2%	0.021	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	162.1	-178.5	-171.2	32.7	0	0	0	112.2	T21 M89 F90 V92 I149 A151	T21-N122 PolarHBondContact O-ND2 3.19Å; M89-N122 HydrophobicContact CG-CB 3.95Å; M89-N122 HydrophobicContact SD-CB 3.9Å; F90-N122 PolarHBondContact O-N 2.98Å; V92-N122 VanDerWaalsContact CG2-O 3.29Å; V92-N122 WeakPolarHBondContact CG2-O 3.48Å; V92-N122 PolarHBondContact N-O 3.03Å; N122-I149 CarbonylContact C-O 3.51Å; N122-I149 WeakPolarHBondContact CA-O 3.14Å; N122-I149 HydrophobicContact CB-CD1 4.16Å; N122-I149 HydrophobicContact CB-CG1 3.9Å; N122-I149 PolarHBondContact OD1-O 2.81Å; N122-A151 PolarHBondContact OD1-N 2.84Å; N122-A151 VanDerWaalsContact OD1-N 3.08Å
123	K	96.3	Very high	94.7	Very high	57 Å²	57	51.8 Å²	51.8	25%	0.248	25%	0.254	C	S	.	.			trans	73.2	31.9	177	-46.3	-170.3	-166.9	166.9	0	114.9	G20 D91 V92 T93 D125 V126 I149	G20-K123 WeakPolarHBondContact O-CE 3.48Å; G20-K123 PolarHBondContact O-NZ 2.74Å; D91-K123 WeakPolarHBondContact OD2-CD 3.41Å; D91-K123 VanDerWaalsContact OD2-CE 3.24Å; D91-K123 WeakPolarHBondContact OD2-CE 3.46Å; D91-K123 IonicContact OD2-NZ 2.68Å; D91-K123 PolarHBondContact OD2-NZ 3.35Å; V92-K123 HydrophobicContact CG2-CB 4.47Å; V92-K123 WeakPolarHBondContact CG2-O 3.42Å; T93-K123 HydrophobicContact CG2-CB 4.37Å; K123-D125 WeakPolarHBondContact CA-OD1 3.45Å; K123-D125 PolarHBondContact O-N 2.87Å; K123-D125 VanDerWaalsContact O-N 3.16Å; K123-V126 HydrophobicContact CB-CG2 4.2Å; K123-V126 WeakPolarHBondContact O-CB 3.45Å; K123-V126 PolarHBondContact O-N 2.86Å; K123-I149 PolarHBondContact N-O 3.02Å; K123-I149 VanDerWaalsContact N-O 3.16Å
124	V	95.9	Very high	94.4	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-11.9	175.7	-57.7	0	0	0	0	113.7	V92 V126 M129 D148 I149 Y155 M189 Y197	V92-V124 HydrophobicContact CG1-CG1 3.99Å; V92-V124 HydrophobicContact CG2-CG1 4.19Å; V124-V126 PolarHBondContact O-N 2.9Å; V124-M129 HydrophobicContact CB-SD 4.26Å; V124-M129 HydrophobicContact CG1-SD 4.28Å; V124-D148 HydrophobicContact CG1-CB 3.84Å; V124-I149 WeakPolarHBondContact CG2-O 3.18Å; V124-I149 PolarHBondContact N-O 2.9Å; V124-Y155 HydrophobicContact CG2-CD1 3.64Å; V124-Y155 HydrophobicContact CG2-CE1 4.13Å; V124-M189 HydrophobicContact CG2-CE 4.02Å; V124-M189 HydrophobicContact CG2-SD 4.42Å; V124-Y197 HydrophobicContact CB-CD2 4.1Å; V124-Y197 HydrophobicContact CB-CE2 3.83Å; V124-Y197 HydrophobicContact CG2-CD2 4.48Å; V124-Y197 HydrophobicContact CG2-CE2 4.47Å; V124-Y197 WeakPolarHBondContact O-CE2 3.41Å
125	D	93.3	Very high	94.2	Very high	36 Å²	36	48.5 Å²	48.5	19%	0.193	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-15.5	168.8	61.2	-71.5	0	0	0	113.2	K123 S150 R152 V187 M189	K123-D125 WeakPolarHBondContact CA-OD1 3.45Å; K123-D125 PolarHBondContact O-N 2.87Å; K123-D125 VanDerWaalsContact O-N 3.16Å; D125-S150 VanDerWaalsContact CG-OG 3.26Å; D125-S150 WeakPolarHBondContact OD1-CB 3.33Å; D125-S150 PolarHBondContact OD1-OG 2.9Å; D125-R152 VanDerWaalsContact OD2-CD 3.29Å; D125-R152 WeakPolarHBondContact OD2-CD 3.34Å; D125-R152 IonicContact OD2-NH1 3.85Å; D125-V187 HydrophobicContact CB-CG2 4Å; D125-M189 HydrophobicContact CB-SD 4.42Å
126	V	92.9	Very high	93.9	Very high	53 Å²	53	47.4 Å²	47.4	32%	0.321	23%	0.231	S	C	.	.			trans	-88.5	119	179.6	-177.4	0	0	0	0	110.7	T93 K123 V124 D128 M129	T93-V126 HydrophobicContact CG2-CB 3.62Å; T93-V126 HydrophobicContact CG2-CG1 3.67Å; T93-V126 HydrophobicContact CG2-CG2 4.07Å; K123-V126 HydrophobicContact CB-CG2 4.2Å; K123-V126 WeakPolarHBondContact O-CB 3.45Å; K123-V126 PolarHBondContact O-N 2.86Å; V124-V126 PolarHBondContact O-N 2.9Å; V126-D128 VanDerWaalsContact C-N 3.33Å; V126-D128 PolarHBondContact O-N 3.16Å; V126-M129 WeakPolarHBondContact O-CG 3.42Å
127	K	88.4	Confident	93.6	Very high	200 Å²	200	47.4 Å²	47.4	87%	0.87	23%	0.229	S	C	*	.	S	Bend	trans	-58.6	-35.9	-176.8	-173.3	173.7	-178.7	175.7	0	114.6	M129	K127-M129 VanDerWaalsContact C-N 3.28Å; K127-M129 PolarHBondContact O-N 3.34Å; K127-M129 VanDerWaalsContact O-N 3.12Å
128	D	90.6	Very high	93.5	Very high	103 Å²	103	48 Å²	48	55%	0.551	23%	0.232	S	C	*	.	S	Bend	trans	-88.2	56.7	-177.2	-172	22.5	0	0	0	112.4	V126 K130	V126-D128 VanDerWaalsContact C-N 3.33Å; V126-D128 PolarHBondContact O-N 3.16Å; D128-K130 PolarHBondContact O-N 2.82Å; D128-K130 IonicContact OD1-NZ 3.44Å; D128-K130 PolarHBondContact OD1-NZ 3.48Å; D128-K130 WeakPolarHBondContact OD2-CE 3.33Å; D128-K130 IonicContact OD2-NZ 3.32Å; D128-K130 PolarHBondContact OD2-NZ 2.79Å
129	M	90.7	Very high	93.2	Very high	24 Å²	24	48.8 Å²	48.8	12%	0.118	24%	0.236	C	C	.	.			trans	-66.5	129.8	177.2	-57.2	-164.4	-56.9	0	0	111.1	V92 V124 V126 K127 Y197	V92-M129 HydrophobicContact CB-CG 4.43Å; V92-M129 HydrophobicContact CB-SD 4.17Å; V92-M129 HydrophobicContact CG2-CB 4.32Å; V92-M129 HydrophobicContact CG2-CG 3.8Å; V92-M129 HydrophobicContact CG2-SD 3.71Å; V124-M129 HydrophobicContact CB-SD 4.26Å; V124-M129 HydrophobicContact CG1-SD 4.28Å; V126-M129 WeakPolarHBondContact O-CG 3.42Å; K127-M129 VanDerWaalsContact C-N 3.28Å; K127-M129 PolarHBondContact O-N 3.34Å; K127-M129 VanDerWaalsContact O-N 3.12Å; M129-Y197 HydrophobicContact CE-CD1 4.06Å; M129-Y197 HydrophobicContact CE-CE1 3.27Å; M129-Y197 HydrophobicContact CE-CE2 4.02Å; M129-Y197 WeakPolarHBondContact CE-OH 3.4Å; M129-Y197 HydrophobicContact SD-CE1 4.35Å; M129-Y197 HydrophobicContact SD-CE2 4.05Å; M129-Y197 PolarHBondContact SD-OH 3.26Å
130	K	92.9	Very high	92.9	Very high	87 Å²	87	51.9 Å²	51.9	38%	0.378	25%	0.247	S	C	.	.	S	Bend	trans	-94.6	-19.4	178.4	-54.6	-58.3	-178.9	-167.3	0	113.2	V92 T93 R95 D128	V92-K130 PolarHBondContact O-N 3.19Å; T93-K130 WeakPolarHBondContact O-CG 3.44Å; R95-K130 HydrophobicContact CG-CB 3.75Å; R95-K130 PolarHBondContact NE-O 3.23Å; R95-K130 VanDerWaalsContact NE-O 3.15Å; D128-K130 PolarHBondContact O-N 2.82Å; D128-K130 IonicContact OD1-NZ 3.44Å; D128-K130 PolarHBondContact OD1-NZ 3.48Å; D128-K130 WeakPolarHBondContact OD2-CE 3.33Å; D128-K130 IonicContact OD2-NZ 3.32Å; D128-K130 PolarHBondContact OD2-NZ 2.79Å
131	V	92.8	Very high	92.6	Very high	6 Å²	6	54.6 Å²	54.6	4%	0.036	26%	0.259	C	S	.	.	S	Bend	trans	-119.5	107.5	175.5	-170.8	0	0	0	0	107.4	F90 V92 R95 Y98 P135 I136	F90-V131 HydrophobicContact CE2-CB 4.32Å; F90-V131 HydrophobicContact CE2-CG1 4.04Å; V92-V131 PolarHBondContact O-N 3.36Å; R95-V131 HydrophobicContact CB-CG2 4.43Å; R95-V131 HydrophobicContact CG-CG2 4.08Å; Y98-V131 HydrophobicContact CD1-CG1 4.2Å; Y98-V131 HydrophobicContact CD2-CG1 4.47Å; Y98-V131 HydrophobicContact CG-CG1 4.03Å; V131-P135 HydrophobicContact CG1-CG 4.25Å; V131-I136 HydrophobicContact CG1-CD1 3.95Å; V131-I136 HydrophobicContact CG1-CG1 3.63Å
132	K	90.3	Very high	92.4	Very high	132 Å²	132	59.6 Å²	59.6	57%	0.574	28%	0.281	S	S	*	.			trans	-94.4	175.6	176.7	-62.2	-171.7	176	-170.9	0	110.3	K134 P135 I136	K132-K134 VanDerWaalsContact C-N 3.35Å; K132-K134 PolarHBondContact O-N 3.17Å; K132-P135 WeakPolarHBondContact O-CD 3.29Å; K132-P135 WeakPolarHBondContact O-CG 3.26Å; K132-I136 VanDerWaalsContact O-CD1 3.29Å; K132-I136 WeakPolarHBondContact O-CD1 3.5Å; K132-I136 VanDerWaalsContact O-CG1 3.32Å; K132-I136 WeakPolarHBondContact O-CG1 3.16Å
133	A	89.5	Confident	92.2	Very high	12 Å²	12	66.6 Å²	66.6	10%	0.099	32%	0.318	C	S	.	.	S	Bend	trans	-51.4	-47.3	179.2	0	0	0	0	0	114.1	I136 D200 L201 A204	A133-I136 WeakPolarHBondContact O-CB 3.41Å; A133-I136 PolarHBondContact O-N 3.15Å; A133-D200 HydrophobicContact CB-CB 3.85Å; A133-L201 HydrophobicContact CB-CD2 3.83Å; A133-L201 HydrophobicContact CB-CG 4.26Å; A133-A204 HydrophobicContact CB-CB 4.31Å
134	K	87.5	Confident	92.2	Very high	170 Å²	170	64.8 Å²	64.8	74%	0.739	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	-48.6	-173.7	-170.8	174.6	-177.5	176.2	0	115.4	K132 I136	K132-K134 VanDerWaalsContact C-N 3.35Å; K132-K134 PolarHBondContact O-N 3.17Å; K134-I136 PolarHBondContact O-N 3.17Å
135	P	89.2	Confident	92.3	Very high	70 Å²	70	67.2 Å²	67.2	46%	0.455	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-7.2	176.6	26.5	-37.4	0	0	0	114.9	Y98 V131 K132 L137	Y98-P135 WeakPolarHBondContact CE1-O 3.48Å; Y98-P135 PolarHBondContact OH-O 2.74Å; V131-P135 HydrophobicContact CG1-CG 4.25Å; K132-P135 WeakPolarHBondContact O-CD 3.29Å; K132-P135 WeakPolarHBondContact O-CG 3.26Å; P135-L137 PolarHBondContact O-N 3.05Å
136	I	91.9	Very high	92.5	Very high	3 Å²	3	65.8 Å²	65.8	2%	0.015	31%	0.314	C	S	.	.			trans	-86.1	79.5	-175	-57.9	165.7	0	0	0	109.7	F90 Y98 L119 V131 K132 A133 K134 H139 Y146	F90-I136 HydrophobicContact CE2-CD1 4.42Å; F90-I136 HydrophobicContact CZ-CD1 3.86Å; F90-I136 HydrophobicContact CZ-CG1 4.24Å; F90-I136 HydrophobicContact CZ-CG2 4.48Å; Y98-I136 HydrophobicContact CE2-CB 4.37Å; Y98-I136 HydrophobicContact CE2-CG1 4.24Å; Y98-I136 HydrophobicContact CE2-CG2 3.89Å; Y98-I136 VanDerWaalsContact OH-CA 3.28Å; Y98-I136 WeakPolarHBondContact OH-CA 3.28Å; L119-I136 HydrophobicContact CD2-CG2 4.4Å; V131-I136 HydrophobicContact CG1-CD1 3.95Å; V131-I136 HydrophobicContact CG1-CG1 3.63Å; K132-I136 VanDerWaalsContact O-CD1 3.29Å; K132-I136 WeakPolarHBondContact O-CD1 3.5Å; K132-I136 VanDerWaalsContact O-CG1 3.32Å; K132-I136 WeakPolarHBondContact O-CG1 3.16Å; A133-I136 WeakPolarHBondContact O-CB 3.41Å; A133-I136 PolarHBondContact O-N 3.15Å; K134-I136 PolarHBondContact O-N 3.17Å; I136-H139 PolarHBondContact O-CE1 3.24Å; I136-H139 PolarHBondContact O-ND1 3.18Å; I136-H139 VanDerWaalsContact O-ND1 3.13Å; I136-Y146 HydrophobicContact CD1-CE1 4.46Å; I136-Y146 HydrophobicContact CD1-CE2 4.37Å; I136-Y146 WeakPolarHBondContact CD1-OH 3.35Å; I136-Y146 HydrophobicContact CG2-CD2 3.91Å; I136-Y146 HydrophobicContact CG2-CE2 3.74Å; I136-Y146 HydrophobicContact CG2-CG 4.39Å
137	L	93.5	Very high	92.8	Very high	30 Å²	30	65.2 Å²	65.2	16%	0.157	31%	0.307	C	S	.	.			trans	-108.4	-15.5	-175.2	-59	-179.9	0	0	0	114.1	Y98 P135 H139 R140 K141 L209 P210	Y98-L137 PolarHBondContact OH-N 3.24Å; P135-L137 PolarHBondContact O-N 3.05Å; L137-H139 VanDerWaalsContact C-N 3.27Å; L137-H139 PolarHBondContact O-N 3.38Å; L137-R140 WeakPolarHBondContact O-CB 3.1Å; L137-R140 PolarHBondContact O-N 2.72Å; L137-K141 PolarHBondContact O-N 3.06Å; L137-L209 HydrophobicContact CB-CD2 4.08Å; L137-L209 HydrophobicContact CD1-CD2 4.31Å; L137-L209 HydrophobicContact CD2-CD2 3.93Å; L137-L209 HydrophobicContact CG-CD2 4.33Å; L137-P210 VanDerWaalsContact CD1-CD 3.49Å; L137-P210 HydrophobicContact CD1-CG 3.89Å
138	F	95.2	Very high	93.2	Very high	22 Å²	22	56.1 Å²	56.1	10%	0.096	27%	0.267	C	S	.	.	H	α-helix	trans	-55	-39.4	-175.3	-173.6	-100.4	0	0	0	113.8	Y98 V101 P102 H105 R140 K141 K142 L144	Y98-F138 WeakPolarHBondContact OH-CB 3.32Å; Y98-F138 PolarHBondContact OH-N 2.94Å; Y98-F138 VanDerWaalsContact OH-N 3.08Å; V101-F138 HydrophobicContact CG1-CD1 3.47Å; V101-F138 VanDerWaalsContact CG1-CD1 3.47Å; V101-F138 HydrophobicContact CG1-CE1 3.74Å; V101-F138 HydrophobicContact CG1-CG 4.13Å; P102-F138 HydrophobicContact CB-CD2 4.27Å; P102-F138 HydrophobicContact CB-CE2 3.65Å; P102-F138 HydrophobicContact CB-CZ 4.16Å; P102-F138 HydrophobicContact CG-CD2 3.76Å; P102-F138 HydrophobicContact CG-CE2 3.67Å; P102-F138 HydrophobicContact CG-CZ 4.39Å; H105-F138 HydrophobicContact CB-CE1 3.66Å; H105-F138 HydrophobicContact CB-CZ 3.6Å; H105-F138 AromaticContact CD2-CE1 3.91Å; H105-F138 AromaticContact CG-CE1 3.72Å; H105-F138 AromaticContact CG-CZ 3.61Å; H105-F138 AromaticContact ND1-CZ 3.92Å; F138-R140 VanDerWaalsContact C-N 3.29Å; F138-R140 PolarHBondContact O-N 2.79Å; F138-K141 PolarHBondContact O-N 3.1Å; F138-K142 HydrophobicContact CD1-CG 4.44Å; F138-K142 HydrophobicContact CD2-CG 4.45Å; F138-K142 HydrophobicContact CE1-CB 4.37Å; F138-K142 HydrophobicContact CE1-CG 3.85Å; F138-K142 HydrophobicContact CE2-CG 3.87Å; F138-K142 HydrophobicContact CZ-CD 4.5Å; F138-K142 HydrophobicContact CZ-CG 3.53Å; F138-K142 PolarHBondContact O-N 2.98Å; F138-K142 VanDerWaalsContact O-N 3.1Å; F138-L144 HydrophobicContact CD1-CD1 4.14Å; F138-L144 HydrophobicContact CE1-CD1 3.98Å
139	H	93.1	Very high	93.5	Very high	16 Å²	16	51.2 Å²	51.2	7%	0.074	24%	0.241	C	C	.	.	H	α-helix	trans	-61.7	-36.6	179.4	70.1	-85.1	0	0	0	112.3	L119 I136 L137 K142 N143 L144	L119-H139 HydrophobicContact CD2-CB 4.09Å; I136-H139 PolarHBondContact O-CE1 3.24Å; I136-H139 PolarHBondContact O-ND1 3.18Å; I136-H139 VanDerWaalsContact O-ND1 3.13Å; L137-H139 VanDerWaalsContact C-N 3.27Å; L137-H139 PolarHBondContact O-N 3.38Å; H139-K142 PolarHBondContact O-N 2.87Å; H139-N143 CarbonylContact O-C 3.58Å; H139-N143 WeakPolarHBondContact O-CA 3.03Å; H139-N143 PolarHBondContact O-N 3.17Å; H139-L144 HydrophobicContact CB-CB 3.97Å; H139-L144 PolarHBondContact O-N 2.9Å
140	R	92.5	Very high	93.7	Very high	65 Å²	65	50 Å²	50	25%	0.245	24%	0.236	C	C	.	.	H	α-helix	trans	-68.9	-42	176.8	-60.2	177.7	62.4	-166.5	-0.4	111.3	L137 F138 K142 A204 Q205 T207 L209	L137-R140 WeakPolarHBondContact O-CB 3.1Å; L137-R140 PolarHBondContact O-N 2.72Å; F138-R140 VanDerWaalsContact C-N 3.29Å; F138-R140 PolarHBondContact O-N 2.79Å; R140-K142 PolarHBondContact O-N 2.84Å; R140-A204 PolarHBondContact NH1-O 2.72Å; R140-Q205 PolarHBondContact NH2-O 3.01Å; R140-T207 PolarHBondContact NH1-O 2.89Å; R140-T207 PolarHBondContact NH2-O 2.94Å; R140-L209 HydrophobicContact CB-CD1 4.11Å; R140-L209 HydrophobicContact CB-CD2 3.99Å
141	K	91.8	Very high	93.7	Very high	57 Å²	57	46 Å²	46	25%	0.248	22%	0.218	C	C	.	.	H	α-helix	trans	-64.7	-27.6	178.2	-64.8	-179.5	179.3	177	0	113.1	L137 F138 L209 D215	L137-K141 PolarHBondContact O-N 3.06Å; F138-K141 PolarHBondContact O-N 3.1Å; K141-L209 HydrophobicContact CG-CD1 4.43Å; K141-D215 IonicContact NZ-OD1 3.71Å; K141-D215 PolarHBondContact NZ-OD1 3.4Å; K141-D215 IonicContact NZ-OD2 3.45Å; K141-D215 PolarHBondContact NZ-OD2 2.67Å
142	K	94.5	Very high	93.7	Very high	104 Å²	104	50.3 Å²	50.3	45%	0.452	23%	0.234	S	C	.	.	H	α-helix	trans	-112.7	7.2	-177.2	-61.3	-56	179.8	-166	0	114.5	F138 H139 R140 L144	F138-K142 HydrophobicContact CD1-CG 4.44Å; F138-K142 HydrophobicContact CD2-CG 4.45Å; F138-K142 HydrophobicContact CE1-CB 4.37Å; F138-K142 HydrophobicContact CE1-CG 3.85Å; F138-K142 HydrophobicContact CE2-CG 3.87Å; F138-K142 HydrophobicContact CZ-CD 4.5Å; F138-K142 HydrophobicContact CZ-CG 3.53Å; F138-K142 PolarHBondContact O-N 2.98Å; F138-K142 VanDerWaalsContact O-N 3.1Å; H139-K142 PolarHBondContact O-N 2.87Å; R140-K142 PolarHBondContact O-N 2.84Å; K142-L144 VanDerWaalsContact C-N 3.3Å; K142-L144 HydrophobicContact CB-CD1 4.22Å; K142-L144 HydrophobicContact CB-CD2 4.01Å; K142-L144 HydrophobicContact CB-CG 3.82Å; K142-L144 WeakPolarHBondContact O-CD2 3.46Å; K142-L144 PolarHBondContact O-N 3.3Å
143	N	93.7	Very high	93.7	Very high	151 Å²	151	44.5 Å²	44.5	81%	0.807	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.5	40.8	-176.6	-61.7	-40.5	0	0	0	114	H139	H139-N143 CarbonylContact O-C 3.58Å; H139-N143 WeakPolarHBondContact O-CA 3.03Å; H139-N143 PolarHBondContact O-N 3.17Å
144	L	97.2	Very high	93.8	Very high	19 Å²	19	45.3 Å²	45.3	10%	0.099	21%	0.213	C	C	.	.			trans	-93.6	151.2	175.8	-42.6	-174.6	0	0	0	110.4	I117 F138 H139 K142	I117-L144 HydrophobicContact CB-CD2 3.89Å; I117-L144 HydrophobicContact CD1-CD2 4.22Å; I117-L144 HydrophobicContact CG2-CD1 4.17Å; I117-L144 HydrophobicContact CG2-CD2 4.27Å; F138-L144 HydrophobicContact CD1-CD1 4.14Å; F138-L144 HydrophobicContact CE1-CD1 3.98Å; H139-L144 HydrophobicContact CB-CB 3.97Å; H139-L144 PolarHBondContact O-N 2.9Å; K142-L144 VanDerWaalsContact C-N 3.3Å; K142-L144 HydrophobicContact CB-CD1 4.22Å; K142-L144 HydrophobicContact CB-CD2 4.01Å; K142-L144 HydrophobicContact CB-CG 3.82Å; K142-L144 WeakPolarHBondContact O-CD2 3.46Å; K142-L144 PolarHBondContact O-N 3.3Å
145	Q	97.1	Very high	94.1	Very high	51 Å²	51	38.5 Å²	38.5	24%	0.238	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	141.1	165.6	-175.8	61	44.2	0	0	110	I117 V118 L119 Y147 W163	I117-Q145 PolarHBondContact O-N 2.84Å; V118-Q145 CarbonylContact C-O 3.58Å; V118-Q145 WeakPolarHBondContact CA-O 3.28Å; V118-Q145 HydrophobicContact CG2-CB 4.37Å; L119-Q145 PolarHBondContact N-O 2.93Å; Q145-Y147 HydrophobicContact CG-CD2 4.06Å; Q145-Y147 HydrophobicContact CG-CE2 3.39Å; Q145-W163 HydrophobicContact CB-CD2 3.69Å; Q145-W163 VanDerWaalsContact CB-CE2 3.44Å; Q145-W163 HydrophobicContact CB-CE3 4.07Å; Q145-W163 HydrophobicContact CB-CG 4.15Å; Q145-W163 HydrophobicContact CB-CH2 4.02Å; Q145-W163 HydrophobicContact CB-CZ2 3.63Å; Q145-W163 HydrophobicContact CB-CZ3 4.22Å; Q145-W163 HydrophobicContact CG-CD2 3.94Å; Q145-W163 HydrophobicContact CG-CG 3.83Å; Q145-W163 VanDerWaalsContact OE1-NE1 3.14Å
146	Y	97.9	Very high	94.3	Very high	6 Å²	6	36 Å²	36	2%	0.024	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	141.4	173.6	-179.3	-101.3	0	0	0	111.8	F90 L119 I136 D148 L201	F90-Y146 AromaticContact CE1-CE2 3.72Å; F90-Y146 HydrophobicContact CE1-CE2 3.72Å; F90-Y146 AromaticContact CZ-CE2 3.85Å; F90-Y146 HydrophobicContact CZ-CE2 3.85Å; L119-Y146 HydrophobicContact CB-CD2 4.12Å; L119-Y146 HydrophobicContact CD2-CD2 3.95Å; L119-Y146 HydrophobicContact CD2-CE2 4.43Å; L119-Y146 HydrophobicContact CG-CD2 3.88Å; L119-Y146 HydrophobicContact CG-CE2 4.29Å; L119-Y146 WeakPolarHBondContact O-CA 2.88Å; L119-Y146 VanDerWaalsContact O-CD2 3.28Å; L119-Y146 WeakPolarHBondContact O-CD2 3.09Å; I136-Y146 HydrophobicContact CD1-CE1 4.46Å; I136-Y146 HydrophobicContact CD1-CE2 4.37Å; I136-Y146 WeakPolarHBondContact CD1-OH 3.35Å; I136-Y146 HydrophobicContact CG2-CD2 3.91Å; I136-Y146 HydrophobicContact CG2-CE2 3.74Å; I136-Y146 HydrophobicContact CG2-CG 4.39Å; Y146-D148 WeakPolarHBondContact CE1-OD1 3.48Å; Y146-D148 VanDerWaalsContact CZ-OD1 3.29Å; Y146-D148 PolarHBondContact OH-OD1 2.76Å; Y146-L201 HydrophobicContact CD1-CD1 4.1Å; Y146-L201 HydrophobicContact CD1-CD2 3.61Å; Y146-L201 HydrophobicContact CE1-CD1 3.85Å; Y146-L201 HydrophobicContact CE1-CD2 3.39Å; Y146-L201 HydrophobicContact CE1-CG 4.27Å
147	Y	97.7	Very high	94.2	Very high	41 Å²	41	36 Å²	36	16%	0.161	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	134.1	165.9	-66.6	-65.3	0	0	0	111.5	V118 L119 C120 G121 Q145 K159 P160 W163	V118-Y147 HydrophobicContact CG1-CD2 3.74Å; V118-Y147 HydrophobicContact CG1-CE2 4.29Å; L119-Y147 PolarHBondContact O-N 3.46Å; C120-Y147 WeakPolarHBondContact CA-O 3.45Å; G121-Y147 PolarHBondContact N-O 2.89Å; Q145-Y147 HydrophobicContact CG-CD2 4.06Å; Q145-Y147 HydrophobicContact CG-CE2 3.39Å; Y147-K159 HydrophobicContact CD1-CB 3.94Å; Y147-K159 HydrophobicContact CD1-CD 3.8Å; Y147-K159 HydrophobicContact CD2-CB 4.03Å; Y147-K159 HydrophobicContact CE1-CB 3.92Å; Y147-K159 HydrophobicContact CE1-CD 3.78Å; Y147-K159 HydrophobicContact CE1-CG 4.41Å; Y147-K159 HydrophobicContact CE2-CB 3.98Å; Y147-K159 HydrophobicContact CG-CB 4.02Å; Y147-P160 HydrophobicContact CD2-CG 4.22Å; Y147-W163 HydrophobicContact CE2-CB 4.04Å
148	D	97.3	Very high	94.2	Very high	9 Å²	9	37.2 Å²	37.2	5%	0.048	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	131.7	156.7	-84.3	-17.6	0	0	0	108.9	V124 Y146 Y155 N156 L201	V124-D148 HydrophobicContact CG1-CB 3.84Å; Y146-D148 WeakPolarHBondContact CE1-OD1 3.48Å; Y146-D148 VanDerWaalsContact CZ-OD1 3.29Å; Y146-D148 PolarHBondContact OH-OD1 2.76Å; D148-Y155 HydrophobicContact CB-CE1 4.21Å; D148-N156 WeakPolarHBondContact O-CB 3.42Å; D148-N156 PolarHBondContact O-ND2 2.91Å; D148-L201 HydrophobicContact CB-CD1 4.34Å
149	I	97.2	Very high	94.2	Very high	0 Å²	0	39 Å²	39	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	158.4	178.6	69.2	169.3	0	0	0	111.4	F26 M89 C120 G121 N122 K123 V124 Y155 N156 P160	F26-I149 HydrophobicContact CD2-CD1 3.74Å; F26-I149 HydrophobicContact CE2-CD1 3.78Å; M89-I149 HydrophobicContact CE-CD1 3.91Å; C120-I149 HydrophobicContact CB-CD1 3.76Å; C120-I149 HydrophobicContact CB-CG1 4.14Å; G121-I149 PolarHBondContact O-N 3.46Å; N122-I149 CarbonylContact C-O 3.51Å; N122-I149 WeakPolarHBondContact CA-O 3.14Å; N122-I149 HydrophobicContact CB-CD1 4.16Å; N122-I149 HydrophobicContact CB-CG1 3.9Å; N122-I149 PolarHBondContact OD1-O 2.81Å; K123-I149 PolarHBondContact N-O 3.02Å; K123-I149 VanDerWaalsContact N-O 3.16Å; V124-I149 WeakPolarHBondContact CG2-O 3.18Å; V124-I149 PolarHBondContact N-O 2.9Å; I149-Y155 WeakPolarHBondContact CA-O 3.35Å; I149-N156 HydrophobicContact CG2-CB 4.09Å; I149-P160 HydrophobicContact CG2-CG 4.33Å
150	S	96	Very high	94.4	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	17%	0.174	C	C	.	.	B	Isolated β-bridge	trans	-134.8	114.4	160.9	172.1	0	0	0	0	110.2	D125 R152 S153 N154 Y155	D125-S150 VanDerWaalsContact CG-OG 3.26Å; D125-S150 WeakPolarHBondContact OD1-CB 3.33Å; D125-S150 PolarHBondContact OD1-OG 2.9Å; S150-R152 PolarHBondContact O-N 3.29Å; S150-R152 PolarHBondContact OG-N 3.36Å; S150-R152 VanDerWaalsContact OG-N 3.16Å; S150-S153 VanDerWaalsContact CB-OG 3.26Å; S150-S153 WeakPolarHBondContact CB-OG 3.25Å; S150-S153 PolarHBondContact O-N 3.06Å; S150-S153 PolarHBondContact OG-N 3.34Å; S150-S153 VanDerWaalsContact OG-N 3.16Å; S150-S153 PolarHBondContact OG-OG 3.31Å; S150-N154 WeakPolarHBondContact O-CA 3.36Å; S150-N154 PolarHBondContact O-N 3.11Å; S150-Y155 PolarHBondContact N-O 3.26Å; S150-Y155 PolarHBondContact O-N 2.86Å
151	A	93	Very high	94.7	Very high	2 Å²	2	35.1 Å²	35.1	2%	0.017	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-21.1	170.9	0	0	0	0	0	112.5	T25 F26 N122	T25-A151 HydrophobicContact CG2-CB 4.17Å; F26-A151 HydrophobicContact CB-CB 4.21Å; N122-A151 PolarHBondContact OD1-N 2.84Å; N122-A151 VanDerWaalsContact OD1-N 3.08Å
152	R	91.8	Very high	94.9	Very high	96 Å²	96	34.2 Å²	34.2	36%	0.362	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-38.2	-178.5	-163.2	-178.5	-177.1	-167.7	-3.2	113	F35 D125 S150 E186 V187	F35-R152 HydrophobicContact CD2-CB 4.13Å; F35-R152 HydrophobicContact CD2-CG 4.13Å; F35-R152 HydrophobicContact CE1-CG 4.06Å; F35-R152 HydrophobicContact CE2-CB 3.5Å; F35-R152 VanDerWaalsContact CE2-CB 3.5Å; F35-R152 HydrophobicContact CE2-CG 3.65Å; F35-R152 HydrophobicContact CZ-CB 3.86Å; F35-R152 HydrophobicContact CZ-CG 3.61Å; D125-R152 VanDerWaalsContact OD2-CD 3.29Å; D125-R152 WeakPolarHBondContact OD2-CD 3.34Å; D125-R152 IonicContact OD2-NH1 3.85Å; S150-R152 PolarHBondContact O-N 3.29Å; S150-R152 PolarHBondContact OG-N 3.36Å; S150-R152 VanDerWaalsContact OG-N 3.16Å; R152-E186 HydrophobicContact CG-CB 4.03Å; R152-E186 IonicContact NE-OE2 3.77Å; R152-E186 PolarHBondContact O-N 2.6Å; R152-V187 HydrophobicContact CB-CG2 4.15Å; R152-V187 HydrophobicContact CG-CG1 4.46Å; R152-V187 HydrophobicContact CG-CG2 3.75Å; R152-V187 VanDerWaalsContact CZ-CG1 3.45Å
153	S	91	Very high	95.1	Very high	11 Å²	11	31.3 Å²	31.3	8%	0.077	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.8	0	-178.5	74.5	0	0	0	0	114.3	S150 Y155 P185 V187	S150-S153 VanDerWaalsContact CB-OG 3.26Å; S150-S153 WeakPolarHBondContact CB-OG 3.25Å; S150-S153 PolarHBondContact O-N 3.06Å; S150-S153 PolarHBondContact OG-N 3.34Å; S150-S153 VanDerWaalsContact OG-N 3.16Å; S150-S153 PolarHBondContact OG-OG 3.31Å; S153-Y155 PolarHBondContact O-N 2.98Å; S153-Y155 VanDerWaalsContact OG-CB 3.25Å; S153-Y155 WeakPolarHBondContact OG-CB 3.29Å; S153-Y155 PolarHBondContact OG-N 3.45Å; S153-P185 WeakPolarHBondContact O-CB 3.32Å; S153-V187 WeakPolarHBondContact CA-O 3.37Å; S153-V187 WeakPolarHBondContact CB-O 3.48Å
154	N	90.9	Very high	95.3	Very high	29 Å²	29	24.1 Å²	24.1	16%	0.155	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.9	18.1	-168.5	-55	-26.3	0	0	0	113.7	R29 S150 N156 F157 L182 A183	R29-N154 PolarHBondContact NE-OD1 2.84Å; R29-N154 PolarHBondContact NH2-ND2 3.22Å; R29-N154 PolarHBondContact NH2-OD1 2.84Å; S150-N154 WeakPolarHBondContact O-CA 3.36Å; S150-N154 PolarHBondContact O-N 3.11Å; N154-N156 PolarHBondContact O-N 2.9Å; N154-F157 HydrophobicContact CB-CB 4.43Å; N154-F157 WeakPolarHBondContact O-CB 3.06Å; N154-F157 PolarHBondContact O-N 3.33Å; N154-L182 HydrophobicContact CB-CD1 4.28Å; N154-A183 PolarHBondContact ND2-O 2.92Å
155	Y	93.8	Very high	95.3	Very high	27 Å²	27	23.2 Å²	23.2	11%	0.106	10%	0.102	C	C	.	.	B	Isolated β-bridge	trans	-67.5	126.2	-179.4	179.3	-111.3	0	0	0	110.8	V124 D148 I149 S150 S153 F157 M189 A194 E198	V124-Y155 HydrophobicContact CG2-CD1 3.64Å; V124-Y155 HydrophobicContact CG2-CE1 4.13Å; D148-Y155 HydrophobicContact CB-CE1 4.21Å; I149-Y155 WeakPolarHBondContact CA-O 3.35Å; S150-Y155 PolarHBondContact N-O 3.26Å; S150-Y155 PolarHBondContact O-N 2.86Å; S153-Y155 PolarHBondContact O-N 2.98Å; S153-Y155 VanDerWaalsContact OG-CB 3.25Å; S153-Y155 WeakPolarHBondContact OG-CB 3.29Å; S153-Y155 PolarHBondContact OG-N 3.45Å; Y155-F157 PolarHBondContact O-N 3.01Å; Y155-F157 VanDerWaalsContact O-N 3.11Å; Y155-M189 HydrophobicContact CD2-CG 4.14Å; Y155-M189 HydrophobicContact CG-CG 4.15Å; Y155-A194 HydrophobicContact CD2-CB 4.29Å; Y155-A194 HydrophobicContact CE2-CB 3.63Å; Y155-E198 WeakPolarHBondContact OH-CG 3.06Å; Y155-E198 PolarHBondContact OH-OE1 3.27Å
156	N	94.1	Very high	95.3	Very high	18 Å²	18	24.2 Å²	24.2	10%	0.096	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.7	25.7	-178.8	-69.6	-20.3	0	0	0	114.8	D148 I149 N154 E158 K159 P160	D148-N156 WeakPolarHBondContact O-CB 3.42Å; D148-N156 PolarHBondContact O-ND2 2.91Å; I149-N156 HydrophobicContact CG2-CB 4.09Å; N154-N156 PolarHBondContact O-N 2.9Å; N156-E158 VanDerWaalsContact C-N 3.34Å; N156-E158 PolarHBondContact O-N 3.49Å; N156-K159 HydrophobicContact CB-CB 4.45Å; N156-K159 HydrophobicContact CB-CD 3.85Å; N156-K159 HydrophobicContact CB-CG 4.16Å; N156-K159 PolarHBondContact O-N 3.04Å; N156-K159 WeakPolarHBondContact OD1-CD 3.4Å; N156-K159 WeakPolarHBondContact OD1-CE 3.14Å; N156-K159 PolarHBondContact OD1-NZ 3.13Å; N156-P160 VanDerWaalsContact O-CD 3.31Å; N156-P160 WeakPolarHBondContact O-CD 3.31Å
157	F	90.1	Very high	95.3	Very high	1 Å²	1	29.8 Å²	29.8	0%	0.004	13%	0.128	C	C	.	.			trans	-64	-37.5	-165.4	-170.5	-115.4	0	0	0	113.5	F26 R29 H30 N154 Y155 L182	F26-F157 HydrophobicContact CB-CE2 4.48Å; F26-F157 AromaticContact CD2-CD2 3.57Å; F26-F157 HydrophobicContact CD2-CD2 3.57Å; F26-F157 AromaticContact CD2-CE2 3.33Å; F26-F157 HydrophobicContact CD2-CE2 3.33Å; F26-F157 HydrophobicContact CD2-CZ 4.33Å; F26-F157 AromaticContact CE2-CD2 3.59Å; F26-F157 HydrophobicContact CE2-CD2 3.59Å; F26-F157 AromaticContact CE2-CE2 3.71Å; F26-F157 HydrophobicContact CE2-CE2 3.71Å; F26-F157 HydrophobicContact CE2-CG 4.36Å; F26-F157 HydrophobicContact CG-CE2 4.04Å; F26-F157 WeakPolarHBondContact O-CE2 3.34Å; F26-F157 WeakPolarHBondContact O-CZ 3.01Å; R29-F157 HydrophobicContact CB-CE1 4.33Å; R29-F157 HydrophobicContact CB-CE2 3.92Å; R29-F157 HydrophobicContact CB-CZ 3.41Å; R29-F157 VanDerWaalsContact CB-CZ 3.41Å; R29-F157 HydrophobicContact CG-CE1 4.02Å; R29-F157 HydrophobicContact CG-CE2 3.87Å; R29-F157 HydrophobicContact CG-CZ 3.43Å; R29-F157 VanDerWaalsContact CG-CZ 3.43Å; H30-F157 HydrophobicContact CB-CE1 4.06Å; H30-F157 HydrophobicContact CB-CZ 4.17Å; H30-F157 AromaticContact CD2-CD1 3.81Å; H30-F157 AromaticContact CD2-CE1 3.37Å; H30-F157 WeakPolarHBondContact CD2-CE1 3.36Å; H30-F157 AromaticContact CE1-CD1 3.28Å; H30-F157 WeakPolarHBondContact CE1-CD1 3.27Å; H30-F157 AromaticContact CE1-CD2 3.71Å; H30-F157 AromaticContact CE1-CE1 3.03Å; H30-F157 WeakPolarHBondContact CE1-CE1 3.49Å; H30-F157 AromaticContact CE1-CE2 3.46Å; H30-F157 VanDerWaalsContact CE1-CE2 3.46Å; H30-F157 WeakPolarHBondContact CE1-CE2 3.5Å; H30-F157 AromaticContact CE1-CG 3.62Å; H30-F157 AromaticContact CE1-CZ 3.1Å; H30-F157 WeakPolarHBondContact CE1-CZ 3.43Å; H30-F157 PolarHBondContact CE1-O 3.46Å; H30-F157 AromaticContact CG-CE1 3.25Å; H30-F157 AromaticContact CG-CZ 3.46Å; H30-F157 VanDerWaalsContact CG-CZ 3.46Å; H30-F157 AromaticContact ND1-CD1 3.85Å; H30-F157 AromaticContact ND1-CE1 3.09Å; H30-F157 WeakPolarHBondContact ND1-CE1 3.2Å; H30-F157 AromaticContact ND1-CE2 3.54Å; H30-F157 AromaticContact ND1-CZ 2.88Å; H30-F157 WeakPolarHBondContact ND1-CZ 3.28Å; H30-F157 AromaticContact NE2-CD1 3.29Å; H30-F157 VanDerWaalsContact NE2-CD1 3.29Å; H30-F157 WeakPolarHBondContact NE2-CD1 3.41Å; H30-F157 AromaticContact NE2-CE1 3.26Å; H30-F157 VanDerWaalsContact NE2-CE1 3.26Å; H30-F157 WeakPolarHBondContact NE2-CE1 3.28Å; H30-F157 AromaticContact NE2-CG 3.94Å; H30-F157 AromaticContact NE2-CZ 3.84Å; H30-F157 PolarHBondContact NE2-O 2.98Å; N154-F157 HydrophobicContact CB-CB 4.43Å; N154-F157 WeakPolarHBondContact O-CB 3.06Å; N154-F157 PolarHBondContact O-N 3.33Å; Y155-F157 PolarHBondContact O-N 3.01Å; Y155-F157 VanDerWaalsContact O-N 3.11Å; F157-L182 HydrophobicContact CD1-CD1 3.66Å; F157-L182 HydrophobicContact CD1-CD2 4.14Å; F157-L182 HydrophobicContact CE1-CD1 4.05Å; F157-L182 HydrophobicContact CE1-CD2 3.67Å
158	E	92.4	Very high	95.3	Very high	56 Å²	56	29.8 Å²	29.8	26%	0.262	13%	0.13	S	C	.	.	S	Bend	trans	-84.9	-20.7	179.5	71.4	-72.5	172	0	0	113.8	N156 P160 F161 F162 F176	N156-E158 VanDerWaalsContact C-N 3.34Å; N156-E158 PolarHBondContact O-N 3.49Å; E158-P160 VanDerWaalsContact C-CD 3.5Å; E158-F161 PolarHBondContact O-N 3.48Å; E158-F161 VanDerWaalsContact O-N 3.15Å; E158-F162 WeakPolarHBondContact O-CB 3.41Å; E158-F162 PolarHBondContact O-N 3.28Å; E158-F176 HydrophobicContact CB-CD2 4.48Å; E158-F176 HydrophobicContact CB-CE2 4.37Å
159	K	95.7	Very high	95.3	Very high	60 Å²	60	32.4 Å²	32.4	26%	0.261	14%	0.144	S	C	.	.	H	α-helix	trans	-55.4	-41.6	-174	-68.8	-168.7	178.2	166.4	0	113.4	Y147 N156 F162 W163 E198	Y147-K159 HydrophobicContact CD1-CB 3.94Å; Y147-K159 HydrophobicContact CD1-CD 3.8Å; Y147-K159 HydrophobicContact CD2-CB 4.03Å; Y147-K159 HydrophobicContact CE1-CB 3.92Å; Y147-K159 HydrophobicContact CE1-CD 3.78Å; Y147-K159 HydrophobicContact CE1-CG 4.41Å; Y147-K159 HydrophobicContact CE2-CB 3.98Å; Y147-K159 HydrophobicContact CG-CB 4.02Å; N156-K159 HydrophobicContact CB-CB 4.45Å; N156-K159 HydrophobicContact CB-CD 3.85Å; N156-K159 HydrophobicContact CB-CG 4.16Å; N156-K159 PolarHBondContact O-N 3.04Å; N156-K159 WeakPolarHBondContact OD1-CD 3.4Å; N156-K159 WeakPolarHBondContact OD1-CE 3.14Å; N156-K159 PolarHBondContact OD1-NZ 3.13Å; K159-F162 PolarHBondContact O-N 3.44Å; K159-W163 PolarHBondContact O-N 2.99Å; K159-E198 IonicContact NZ-OE1 2.65Å
160	P	97.8	Very high	95.3	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-58.9	-50.4	175.6	-26.1	35.9	0	0	0	112.9	F26 I87 V118 C120 Y147 I149 N156 E158 F162 W163 L164	F26-P160 HydrophobicContact CZ-CG 4.39Å; I87-P160 HydrophobicContact CD1-CB 3.9Å; I87-P160 HydrophobicContact CG1-CB 4.48Å; V118-P160 HydrophobicContact CB-CB 4.43Å; V118-P160 HydrophobicContact CG1-CB 4.01Å; V118-P160 HydrophobicContact CG1-CG 4.4Å; C120-P160 VanDerWaalsContact SG-CG 3.52Å; Y147-P160 HydrophobicContact CD2-CG 4.22Å; I149-P160 HydrophobicContact CG2-CG 4.33Å; N156-P160 VanDerWaalsContact O-CD 3.31Å; N156-P160 WeakPolarHBondContact O-CD 3.31Å; E158-P160 VanDerWaalsContact C-CD 3.5Å; P160-F162 VanDerWaalsContact C-N 3.3Å; P160-F162 PolarHBondContact O-N 3.26Å; P160-W163 PolarHBondContact O-N 3.12Å; P160-L164 WeakPolarHBondContact O-CB 3.3Å; P160-L164 VanDerWaalsContact O-CG 3.25Å; P160-L164 WeakPolarHBondContact O-CG 3.27Å; P160-L164 PolarHBondContact O-N 2.81Å
161	F	97.1	Very high	95.4	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-66.3	-35.2	179.7	-70.3	-72.9	0	0	0	112	V13 F26 M27 H30 L50 F52 F61 V63 I87 E158 L164 A165 F176	V13-F161 HydrophobicContact CG2-CE1 4.48Å; F26-F161 AromaticContact CE1-CE2 3.51Å; F26-F161 HydrophobicContact CE1-CE2 3.51Å; F26-F161 AromaticContact CE1-CZ 3.95Å; F26-F161 HydrophobicContact CE1-CZ 3.95Å; F26-F161 HydrophobicContact CZ-CD2 4.25Å; F26-F161 AromaticContact CZ-CE2 3.63Å; F26-F161 HydrophobicContact CZ-CE2 3.63Å; F26-F161 HydrophobicContact CZ-CZ 4.48Å; M27-F161 HydrophobicContact SD-CZ 4.33Å; H30-F161 AromaticContact CD2-CE2 3.96Å; H30-F161 AromaticContact CE1-CD2 3.81Å; H30-F161 AromaticContact CE1-CE2 3.41Å; H30-F161 VanDerWaalsContact CE1-CE2 3.41Å; H30-F161 WeakPolarHBondContact CE1-CE2 3.44Å; H30-F161 AromaticContact ND1-CE2 3.76Å; H30-F161 AromaticContact NE2-CD2 3.48Å; H30-F161 WeakPolarHBondContact NE2-CD2 3.29Å; H30-F161 AromaticContact NE2-CE2 3.5Å; H30-F161 WeakPolarHBondContact NE2-CE2 3.24Å; L50-F161 HydrophobicContact CD1-CE1 3.98Å; L50-F161 HydrophobicContact CD1-CE2 3.9Å; L50-F161 HydrophobicContact CD1-CZ 3.49Å; L50-F161 VanDerWaalsContact CD1-CZ 3.49Å; F52-F161 HydrophobicContact CD2-CB 4.46Å; F52-F161 HydrophobicContact CE1-CB 4.07Å; F52-F161 HydrophobicContact CE1-CD2 4.42Å; F52-F161 HydrophobicContact CE1-CG 4.37Å; F52-F161 HydrophobicContact CE2-CB 3.83Å; F52-F161 AromaticContact CE2-CD1 3.82Å; F52-F161 HydrophobicContact CE2-CD1 3.82Å; F52-F161 HydrophobicContact CE2-CD2 4.11Å; F52-F161 HydrophobicContact CE2-CE1 4.41Å; F52-F161 AromaticContact CE2-CG 3.65Å; F52-F161 HydrophobicContact CE2-CG 3.65Å; F52-F161 HydrophobicContact CZ-CB 3.61Å; F52-F161 HydrophobicContact CZ-CD1 4.11Å; F52-F161 AromaticContact CZ-CD2 3.54Å; F52-F161 HydrophobicContact CZ-CD2 3.54Å; F52-F161 HydrophobicContact CZ-CE2 4.22Å; F52-F161 AromaticContact CZ-CG 3.47Å; F52-F161 HydrophobicContact CZ-CG 3.47Å; F52-F161 VanDerWaalsContact CZ-CG 3.47Å; F61-F161 HydrophobicContact CB-CD1 4.3Å; F61-F161 HydrophobicContact CB-CE1 4.16Å; F61-F161 HydrophobicContact CD2-CB 4.47Å; F61-F161 AromaticContact CD2-CD1 3.57Å; F61-F161 HydrophobicContact CD2-CD1 3.57Å; F61-F161 HydrophobicContact CD2-CE1 4.27Å; F61-F161 HydrophobicContact CD2-CG 4.41Å; F61-F161 HydrophobicContact CE2-CB 4.17Å; F61-F161 AromaticContact CE2-CD1 3.94Å; F61-F161 HydrophobicContact CE2-CD1 3.94Å; F61-F161 AromaticContact CG-CD1 3.91Å; F61-F161 HydrophobicContact CG-CD1 3.91Å; F61-F161 HydrophobicContact CG-CE1 4.22Å; V63-F161 HydrophobicContact CG2-CE1 3.85Å; V63-F161 HydrophobicContact CG2-CZ 4.07Å; I87-F161 HydrophobicContact CD1-CE1 4.26Å; I87-F161 HydrophobicContact CD1-CE2 4.44Å; I87-F161 HydrophobicContact CD1-CZ 4.11Å; E158-F161 PolarHBondContact O-N 3.48Å; E158-F161 VanDerWaalsContact O-N 3.15Å; F161-L164 PolarHBondContact O-N 3.27Å; F161-A165 VanDerWaalsContact O-CB 3.28Å; F161-A165 WeakPolarHBondContact O-CB 3.5Å; F161-A165 PolarHBondContact O-N 2.74Å; F161-F176 HydrophobicContact CB-CZ 4.34Å
162	F	96.8	Very high	95.5	Very high	38 Å²	38	40.9 Å²	40.9	17%	0.167	21%	0.208	C	C	.	.	H	α-helix	trans	-64.4	-48.7	177.5	-175.4	-129.7	0	0	0	112.5	E158 K159 P160 L164 A165 R166 L174 E175 F176	E158-F162 WeakPolarHBondContact O-CB 3.41Å; E158-F162 PolarHBondContact O-N 3.28Å; K159-F162 PolarHBondContact O-N 3.44Å; P160-F162 VanDerWaalsContact C-N 3.3Å; P160-F162 PolarHBondContact O-N 3.26Å; F162-L164 PolarHBondContact O-N 2.86Å; F162-A165 PolarHBondContact O-N 2.65Å; F162-R166 VanDerWaalsContact CZ-NE 3.25Å; F162-R166 PolarHBondContact O-N 3.45Å; F162-L174 HydrophobicContact CD2-CD2 4.15Å; F162-L174 HydrophobicContact CE2-CD2 3.94Å; F162-L174 WeakPolarHBondContact CE2-O 3.4Å; F162-L174 VanDerWaalsContact CZ-O 3.28Å; F162-L174 WeakPolarHBondContact CZ-O 3.26Å; F162-E175 WeakPolarHBondContact CZ-OE2 3.46Å; F162-F176 HydrophobicContact CB-CD2 4.28Å; F162-F176 HydrophobicContact CB-CE2 3.73Å; F162-F176 HydrophobicContact CB-CZ 3.97Å; F162-F176 AromaticContact CD2-CD1 3.83Å; F162-F176 HydrophobicContact CD2-CD1 3.83Å; F162-F176 HydrophobicContact CD2-CD2 4.06Å; F162-F176 AromaticContact CD2-CE1 3.88Å; F162-F176 HydrophobicContact CD2-CE1 3.88Å; F162-F176 HydrophobicContact CD2-CE2 4.08Å; F162-F176 AromaticContact CD2-CG 3.96Å; F162-F176 HydrophobicContact CD2-CG 3.96Å; F162-F176 HydrophobicContact CD2-CZ 4.01Å; F162-F176 HydrophobicContact CE2-CD1 4.3Å; F162-F176 HydrophobicContact CE2-CG 4.43Å; F162-F176 HydrophobicContact CG-CE2 4.35Å
163	W	98.1	Very high	95.7	Very high	43 Å²	43	41.3 Å²	41.3	16%	0.163	22%	0.218	C	C	.	.	H	α-helix	trans	-63.1	-42.6	176.3	-175.5	97.5	0	0	0	111.7	P116 V118 Q145 Y147 K159 P160 R166 K167	P116-W163 HydrophobicContact CB-CH2 4.25Å; P116-W163 HydrophobicContact CB-CZ3 3.77Å; V118-W163 HydrophobicContact CG2-CD2 4.3Å; V118-W163 HydrophobicContact CG2-CE3 3.48Å; V118-W163 VanDerWaalsContact CG2-CE3 3.48Å; V118-W163 HydrophobicContact CG2-CZ3 3.9Å; Q145-W163 HydrophobicContact CB-CD2 3.69Å; Q145-W163 VanDerWaalsContact CB-CE2 3.44Å; Q145-W163 HydrophobicContact CB-CE3 4.07Å; Q145-W163 HydrophobicContact CB-CG 4.15Å; Q145-W163 HydrophobicContact CB-CH2 4.02Å; Q145-W163 HydrophobicContact CB-CZ2 3.63Å; Q145-W163 HydrophobicContact CB-CZ3 4.22Å; Q145-W163 HydrophobicContact CG-CD2 3.94Å; Q145-W163 HydrophobicContact CG-CG 3.83Å; Q145-W163 VanDerWaalsContact OE1-NE1 3.14Å; Y147-W163 HydrophobicContact CE2-CB 4.04Å; K159-W163 PolarHBondContact O-N 2.99Å; P160-W163 PolarHBondContact O-N 3.12Å; W163-R166 PolarHBondContact O-N 2.99Å; W163-K167 HydrophobicContact CD2-CG 3.88Å; W163-K167 HydrophobicContact CE3-CG 3.91Å; W163-K167 HydrophobicContact CH2-CD 4.39Å; W163-K167 HydrophobicContact CH2-CG 3.78Å; W163-K167 HydrophobicContact CZ2-CD 4.09Å; W163-K167 HydrophobicContact CZ2-CG 3.72Å; W163-K167 HydrophobicContact CZ3-CG 3.87Å; W163-K167 WeakPolarHBondContact O-CG 3.27Å; W163-K167 PolarHBondContact O-N 2.81Å
164	L	98.3	Very high	96	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-59.8	-46.6	175.2	-73.7	177.7	0	0	0	111.5	V13 F61 C85 I87 P116 V118 P160 F161 F162 R166 K167 L168	V13-L164 HydrophobicContact CG1-CD1 4.28Å; F61-L164 HydrophobicContact CE1-CB 4.39Å; F61-L164 HydrophobicContact CZ-CB 4.2Å; C85-L164 HydrophobicContact CB-CD1 4.27Å; C85-L164 HydrophobicContact CB-CD2 3.59Å; C85-L164 HydrophobicContact CB-CG 4.43Å; I87-L164 HydrophobicContact CD1-CD1 4.21Å; I87-L164 HydrophobicContact CG1-CD1 3.91Å; P116-L164 HydrophobicContact CB-CD2 3.81Å; V118-L164 HydrophobicContact CG2-CD1 4.32Å; V118-L164 HydrophobicContact CG2-CD2 3.85Å; V118-L164 HydrophobicContact CG2-CG 3.75Å; P160-L164 WeakPolarHBondContact O-CB 3.3Å; P160-L164 VanDerWaalsContact O-CG 3.25Å; P160-L164 WeakPolarHBondContact O-CG 3.27Å; P160-L164 PolarHBondContact O-N 2.81Å; F161-L164 PolarHBondContact O-N 3.27Å; F162-L164 PolarHBondContact O-N 2.86Å; L164-R166 PolarHBondContact O-N 3.14Å; L164-K167 PolarHBondContact O-N 3.47Å; L164-L168 HydrophobicContact CB-CD1 4.34Å; L164-L168 WeakPolarHBondContact O-CB 3.45Å; L164-L168 WeakPolarHBondContact O-CD1 3.43Å; L164-L168 WeakPolarHBondContact O-CG 3.14Å; L164-L168 PolarHBondContact O-N 2.96Å
165	A	97.5	Very high	96.2	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-58.3	-47.8	177.5	0	0	0	0	0	111.5	I59 F61 F161 F162 K167 L168 I169 L174 F176	I59-A165 HydrophobicContact CD1-CB 4.02Å; F61-A165 HydrophobicContact CE2-CB 4.35Å; F61-A165 HydrophobicContact CZ-CB 4.07Å; F161-A165 VanDerWaalsContact O-CB 3.28Å; F161-A165 WeakPolarHBondContact O-CB 3.5Å; F161-A165 PolarHBondContact O-N 2.74Å; F162-A165 PolarHBondContact O-N 2.65Å; A165-K167 VanDerWaalsContact C-N 3.34Å; A165-K167 PolarHBondContact O-N 2.62Å; A165-L168 PolarHBondContact O-N 3.12Å; A165-I169 VanDerWaalsContact O-CB 3.28Å; A165-I169 WeakPolarHBondContact O-CB 3.29Å; A165-I169 WeakPolarHBondContact O-CG1 3.38Å; A165-I169 PolarHBondContact O-N 3.27Å; A165-L174 HydrophobicContact CB-CD1 4.38Å; A165-L174 HydrophobicContact CB-CD2 4Å; A165-F176 HydrophobicContact CB-CE1 4.19Å; A165-F176 HydrophobicContact CB-CZ 4.48Å
166	R	97.8	Very high	96.2	Very high	71 Å²	71	44.3 Å²	44.3	27%	0.268	23%	0.23	S	C	.	.	H	α-helix	trans	-57.2	-45.4	175.7	-77.7	179	166.7	-175.6	-7.1	112.4	F162 W163 L164 G170 D171 P172 L174 E175	F162-R166 VanDerWaalsContact CZ-NE 3.25Å; F162-R166 PolarHBondContact O-N 3.45Å; W163-R166 PolarHBondContact O-N 2.99Å; L164-R166 PolarHBondContact O-N 3.14Å; R166-G170 WeakPolarHBondContact O-CA 3.37Å; R166-G170 PolarHBondContact O-N 2.79Å; R166-D171 PolarHBondContact O-N 3.02Å; R166-P172 PolarHBondContact NE-O 2.62Å; R166-P172 PolarHBondContact NH2-O 2.8Å; R166-L174 HydrophobicContact CG-CB 4Å; R166-L174 HydrophobicContact CG-CD2 4.35Å; R166-L174 PolarHBondContact NE-O 3.13Å; R166-L174 PolarHBondContact NH2-O 2.68Å; R166-E175 IonicContact CZ-OE1 2.52Å; R166-E175 IonicContact NH2-OE1 3.97Å; R166-E175 PolarHBondContact NH2-OE1 3.28Å; R166-E175 IonicContact NH2-OE2 2.71Å
167	K	97.8	Very high	96.1	Very high	123 Å²	123	48 Å²	48	54%	0.535	25%	0.253	S	S	.	.	H	α-helix	trans	-67.7	-41.9	180	-73.4	-64.7	-172.5	-179.9	0	113	P116 W163 L164 A165	P116-K167 HydrophobicContact CB-CB 4.04Å; P116-K167 HydrophobicContact CG-CB 3.97Å; W163-K167 HydrophobicContact CD2-CG 3.88Å; W163-K167 HydrophobicContact CE3-CG 3.91Å; W163-K167 HydrophobicContact CH2-CD 4.39Å; W163-K167 HydrophobicContact CH2-CG 3.78Å; W163-K167 HydrophobicContact CZ2-CD 4.09Å; W163-K167 HydrophobicContact CZ2-CG 3.72Å; W163-K167 HydrophobicContact CZ3-CG 3.87Å; W163-K167 WeakPolarHBondContact O-CG 3.27Å; W163-K167 PolarHBondContact O-N 2.81Å; L164-K167 PolarHBondContact O-N 3.47Å; A165-K167 VanDerWaalsContact C-N 3.34Å; A165-K167 PolarHBondContact O-N 2.62Å
168	L	97.7	Very high	95.7	Very high	42 Å²	42	50.3 Å²	50.3	22%	0.22	27%	0.272	C	S	.	.	H	α-helix	trans	-74.3	-36.5	-177.3	-69.7	163.3	0	0	0	112.7	F11 F61 Q84 C85 P116 L164 A165	F11-L168 HydrophobicContact CB-CD1 4.05Å; F11-L168 HydrophobicContact CD1-CB 4.22Å; F11-L168 HydrophobicContact CD1-CD1 3.96Å; F11-L168 HydrophobicContact CD1-CD2 4.06Å; F11-L168 HydrophobicContact CD1-CG 4.31Å; F11-L168 HydrophobicContact CD2-CB 4.36Å; F11-L168 HydrophobicContact CD2-CD1 3.84Å; F11-L168 HydrophobicContact CE1-CB 3.81Å; F11-L168 HydrophobicContact CE1-CD1 4.4Å; F11-L168 HydrophobicContact CE1-CD2 4.22Å; F11-L168 HydrophobicContact CE1-CG 4.37Å; F11-L168 HydrophobicContact CE2-CB 3.93Å; F11-L168 HydrophobicContact CE2-CD1 4.25Å; F11-L168 HydrophobicContact CG-CB 4.5Å; F11-L168 HydrophobicContact CG-CD1 3.69Å; F11-L168 HydrophobicContact CG-CG 4.49Å; F11-L168 HydrophobicContact CZ-CB 3.65Å; F61-L168 HydrophobicContact CE1-CD1 3.73Å; F61-L168 HydrophobicContact CZ-CD1 4.33Å; Q84-L168 HydrophobicContact CB-CD2 4.33Å; Q84-L168 WeakPolarHBondContact O-CD2 3.43Å; C85-L168 HydrophobicContact CB-CD1 4.03Å; C85-L168 HydrophobicContact CB-CD2 4.36Å; P116-L168 HydrophobicContact CG-CD2 4.12Å; P116-L168 HydrophobicContact CG-CG 4.43Å; L164-L168 HydrophobicContact CB-CD1 4.34Å; L164-L168 WeakPolarHBondContact O-CB 3.45Å; L164-L168 WeakPolarHBondContact O-CD1 3.43Å; L164-L168 WeakPolarHBondContact O-CG 3.14Å; L164-L168 PolarHBondContact O-N 2.96Å; A165-L168 PolarHBondContact O-N 3.12Å
169	I	97	Very high	94.6	Very high	63 Å²	63	54.4 Å²	54.4	32%	0.323	29%	0.293	S	S	.	.	H	α-helix	trans	-78.7	-27.3	175.4	-61.1	-62.4	0	0	0	111.4	V9 F11 I59 A165 D171 L174	V9-I169 HydrophobicContact CG1-CD1 3.9Å; F11-I169 HydrophobicContact CE2-CD1 4.05Å; F11-I169 HydrophobicContact CZ-CD1 3.96Å; I59-I169 HydrophobicContact CD1-CD1 3.86Å; I59-I169 HydrophobicContact CD1-CG1 3.61Å; A165-I169 VanDerWaalsContact O-CB 3.28Å; A165-I169 WeakPolarHBondContact O-CB 3.29Å; A165-I169 WeakPolarHBondContact O-CG1 3.38Å; A165-I169 PolarHBondContact O-N 3.27Å; I169-D171 VanDerWaalsContact C-N 3.31Å; I169-D171 HydrophobicContact CG2-CB 3.95Å; I169-L174 HydrophobicContact CB-CD1 4.03Å; I169-L174 HydrophobicContact CG1-CD1 3.76Å; I169-L174 HydrophobicContact CG2-CD1 4.16Å
170	G	97.2	Very high	93.2	Very high	62 Å²	62	53.4 Å²	53.4	64%	0.639	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.8	17.9	-174.9	0	0	0	0	0	113.7	R166	R166-G170 WeakPolarHBondContact O-CA 3.37Å; R166-G170 PolarHBondContact O-N 2.79Å
171	D	96.9	Very high	91.6	Very high	27 Å²	27	58.2 Å²	58.2	14%	0.144	33%	0.333	C	S	.	.			trans	-112.6	106.1	177.7	-173.3	-2	0	0	0	110.6	R56 R166 I169 N173 L174	R56-D171 IonicContact CZ-OD2 2.95Å; R56-D171 IonicContact NE-OD2 3.36Å; R56-D171 PolarHBondContact NE-OD2 3.16Å; R56-D171 IonicContact NH2-OD2 2.76Å; R56-D171 PolarHBondContact NH2-OD2 3.08Å; R166-D171 PolarHBondContact O-N 3.02Å; I169-D171 VanDerWaalsContact C-N 3.31Å; I169-D171 HydrophobicContact CG2-CB 3.95Å; D171-N173 PolarHBondContact O-N 3.3Å; D171-N173 WeakPolarHBondContact OD1-CA 3.17Å; D171-N173 WeakPolarHBondContact OD1-CB 3.48Å; D171-N173 PolarHBondContact OD1-N 3.16Å; D171-N173 PolarHBondContact OD1-ND2 2.82Å; D171-L174 HydrophobicContact CB-CB 4.35Å; D171-L174 WeakPolarHBondContact O-CB 3.42Å; D171-L174 PolarHBondContact O-N 3.46Å
172	P	95.3	Very high	90.3	Very high	91 Å²	91	60.7 Å²	60.7	59%	0.591	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-16.3	176	28.2	-34.3	0	0	0	113.3	R166 L174	R166-P172 PolarHBondContact NE-O 2.62Å; R166-P172 PolarHBondContact NH2-O 2.8Å; P172-L174 VanDerWaalsContact C-N 3.35Å
173	N	96.6	Very high	89.1	Confident	106 Å²	106	60.6 Å²	60.6	57%	0.567	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.1	9	177.7	-49.9	-69	0	0	0	112.7	N55 D171 E175	N55-N173 PolarHBondContact ND2-O 3.48Å; D171-N173 PolarHBondContact O-N 3.3Å; D171-N173 WeakPolarHBondContact OD1-CA 3.17Å; D171-N173 WeakPolarHBondContact OD1-CB 3.48Å; D171-N173 PolarHBondContact OD1-N 3.16Å; D171-N173 PolarHBondContact OD1-ND2 2.82Å; N173-E175 PolarHBondContact O-N 3.26Å
174	L	96.5	Very high	88.1	Confident	0 Å²	0	63.8 Å²	63.8	0%	0	38%	0.378	C	S	.	.			trans	-64	131.6	171.5	-176.9	151.8	0	0	0	109.1	T54 N55 I59 F162 A165 R166 I169 D171 P172 F176	T54-L174 HydrophobicContact CG2-CD1 4.34Å; T54-L174 HydrophobicContact CG2-CD2 3.98Å; T54-L174 HydrophobicContact CG2-CG 4.28Å; N55-L174 WeakPolarHBondContact OD1-CA 3.36Å; I59-L174 HydrophobicContact CD1-CD1 3.73Å; F162-L174 HydrophobicContact CD2-CD2 4.15Å; F162-L174 HydrophobicContact CE2-CD2 3.94Å; F162-L174 WeakPolarHBondContact CE2-O 3.4Å; F162-L174 VanDerWaalsContact CZ-O 3.28Å; F162-L174 WeakPolarHBondContact CZ-O 3.26Å; A165-L174 HydrophobicContact CB-CD1 4.38Å; A165-L174 HydrophobicContact CB-CD2 4Å; R166-L174 HydrophobicContact CG-CB 4Å; R166-L174 HydrophobicContact CG-CD2 4.35Å; R166-L174 PolarHBondContact NE-O 3.13Å; R166-L174 PolarHBondContact NH2-O 2.68Å; I169-L174 HydrophobicContact CB-CD1 4.03Å; I169-L174 HydrophobicContact CG1-CD1 3.76Å; I169-L174 HydrophobicContact CG2-CD1 4.16Å; D171-L174 HydrophobicContact CB-CB 4.35Å; D171-L174 WeakPolarHBondContact O-CB 3.42Å; D171-L174 PolarHBondContact O-N 3.46Å; P172-L174 VanDerWaalsContact C-N 3.35Å; L174-F176 HydrophobicContact CD2-CD1 4.2Å; L174-F176 HydrophobicContact CD2-CE1 4.13Å
175	E	95.5	Very high	87.2	Confident	91 Å²	91	66.3 Å²	66.3	43%	0.425	40%	0.395	S	S	.	.			trans	-130.2	141.2	-180	-69.8	-62.2	160.5	0	0	109.7	T54 N55 F162 R166 N173	T54-E175 CarbonylContact C-O 3.52Å; T54-E175 WeakPolarHBondContact CA-O 3.47Å; T54-E175 WeakPolarHBondContact CB-O 3.18Å; N55-E175 PolarHBondContact N-O 3.24Å; N55-E175 PolarHBondContact OD1-N 2.92Å; N55-E175 PolarHBondContact OD1-O 3.43Å; F162-E175 WeakPolarHBondContact CZ-OE2 3.46Å; R166-E175 IonicContact CZ-OE1 2.52Å; R166-E175 IonicContact NH2-OE1 3.97Å; R166-E175 PolarHBondContact NH2-OE1 3.28Å; R166-E175 IonicContact NH2-OE2 2.71Å; N173-E175 PolarHBondContact O-N 3.26Å
176	F	93.8	Very high	86.4	Confident	39 Å²	39	69.7 Å²	69.7	17%	0.171	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	123	168.9	-71	-10.2	0	0	0	109.3	F52 H53 T54 E158 F161 F162 A165 L174	F52-F176 HydrophobicContact CB-CD1 4.3Å; F52-F176 HydrophobicContact CB-CE1 3.79Å; F52-F176 HydrophobicContact CB-CE2 4.38Å; F52-F176 HydrophobicContact CB-CZ 3.82Å; F52-F176 AromaticContact CD1-CD2 3.97Å; F52-F176 HydrophobicContact CD1-CD2 3.97Å; F52-F176 HydrophobicContact CD1-CE1 4.34Å; F52-F176 AromaticContact CD1-CE2 3.39Å; F52-F176 HydrophobicContact CD1-CE2 3.39Å; F52-F176 AromaticContact CD1-CZ 3.6Å; F52-F176 HydrophobicContact CD1-CZ 3.6Å; F52-F176 AromaticContact CE1-CE2 3.89Å; F52-F176 HydrophobicContact CE1-CE2 3.89Å; F52-F176 HydrophobicContact CE1-CZ 4.31Å; F52-F176 HydrophobicContact CG-CE1 4.26Å; F52-F176 HydrophobicContact CG-CE2 4.07Å; F52-F176 AromaticContact CG-CZ 3.76Å; F52-F176 HydrophobicContact CG-CZ 3.76Å; H53-F176 CarbonylContact O-C 3.6Å; H53-F176 WeakPolarHBondContact O-CA 3.09Å; T54-F176 HydrophobicContact CG2-CD1 3.8Å; T54-F176 HydrophobicContact CG2-CE1 3.93Å; E158-F176 HydrophobicContact CB-CD2 4.48Å; E158-F176 HydrophobicContact CB-CE2 4.37Å; F161-F176 HydrophobicContact CB-CZ 4.34Å; F162-F176 HydrophobicContact CB-CD2 4.28Å; F162-F176 HydrophobicContact CB-CE2 3.73Å; F162-F176 HydrophobicContact CB-CZ 3.97Å; F162-F176 AromaticContact CD2-CD1 3.83Å; F162-F176 HydrophobicContact CD2-CD1 3.83Å; F162-F176 HydrophobicContact CD2-CD2 4.06Å; F162-F176 AromaticContact CD2-CE1 3.88Å; F162-F176 HydrophobicContact CD2-CE1 3.88Å; F162-F176 HydrophobicContact CD2-CE2 4.08Å; F162-F176 AromaticContact CD2-CG 3.96Å; F162-F176 HydrophobicContact CD2-CG 3.96Å; F162-F176 HydrophobicContact CD2-CZ 4.01Å; F162-F176 HydrophobicContact CE2-CD1 4.3Å; F162-F176 HydrophobicContact CE2-CG 4.43Å; F162-F176 HydrophobicContact CG-CE2 4.35Å; A165-F176 HydrophobicContact CB-CE1 4.19Å; A165-F176 HydrophobicContact CB-CZ 4.48Å; L174-F176 HydrophobicContact CD2-CD1 4.2Å; L174-F176 HydrophobicContact CD2-CE1 4.13Å
177	V	92.1	Very high	85.7	Confident	95 Å²	95	68.1 Å²	68.1	58%	0.576	41%	0.408	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93	-14.4	-175.2	-64.7	0	0	0	0	113.3	H53 N55	H53-V177 HydrophobicContact CB-CG2 3.9Å; H53-V177 WeakPolarHBondContact O-CG2 3.25Å; H53-V177 PolarHBondContact O-N 2.89Å; N55-V177 HydrophobicContact CB-CG1 3.98Å
178	A	81.5	Confident	85.1	Confident	49 Å²	49	68.1 Å²	68.1	41%	0.405	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	131.2	173	0	0	0	0	0	108.7
179	M	70	Confident	84.6	Confident	142 Å²	142	67 Å²	67	70%	0.7	41%	0.413	S	S	*	.			trans	-70	139.8	166.7	-72.7	-172.7	165.4	0	0	108.8	A181	M179-A181 PolarHBondContact O-N 3.21Å
180	P	66.6	Low	84.2	Confident	40 Å²	40	68.4 Å²	68.4	26%	0.26	42%	0.421	S	S	.	.			trans	-51.3	140.2	163.8	-21.4	32.1	0	0	0	109.1	F52 L182	F52-P180 HydrophobicContact CD1-CG 4.21Å; F52-P180 HydrophobicContact CE1-CG 4Å; P180-L182 VanDerWaalsContact C-N 3.29Å; P180-L182 HydrophobicContact CB-CD2 4.49Å; P180-L182 PolarHBondContact O-N 3.49Å
181	A	64.8	Low	83.9	Confident	101 Å²	101	70.2 Å²	70.2	84%	0.835	42%	0.421	S	S	*	.			trans	-68.1	89.3	176.8	0	0	0	0	0	109.4	M179	M179-A181 PolarHBondContact O-N 3.21Å
182	L	69.8	Low	83.6	Confident	51 Å²	51	72.1 Å²	72.1	27%	0.267	44%	0.44	S	S	.	.	P	Polyproline II helix	trans	-81.7	139.9	175.8	-59.4	175.8	0	0	0	109.4	R29 N154 F157 P180	R29-L182 WeakPolarHBondContact O-CD2 3.42Å; N154-L182 HydrophobicContact CB-CD1 4.28Å; F157-L182 HydrophobicContact CD1-CD1 3.66Å; F157-L182 HydrophobicContact CD1-CD2 4.14Å; F157-L182 HydrophobicContact CE1-CD1 4.05Å; F157-L182 HydrophobicContact CE1-CD2 3.67Å; P180-L182 VanDerWaalsContact C-N 3.29Å; P180-L182 HydrophobicContact CB-CD2 4.49Å; P180-L182 PolarHBondContact O-N 3.49Å
183	A	71.4	Confident	83.3	Confident	36 Å²	36	69.6 Å²	69.6	30%	0.298	42%	0.422	S	S	.	.	P	Polyproline II helix	trans	-65	157.5	169	0	0	0	0	0	109.7	R29 G33 N154	R29-A183 PolarHBondContact NH2-O 2.88Å; G33-A183 WeakPolarHBondContact O-CB 3.41Å; N154-A183 PolarHBondContact ND2-O 2.92Å
184	P	76.7	Confident	83	Confident	110 Å²	110	65.1 Å²	65.1	71%	0.714	40%	0.4	S	S	*	.	P	Polyproline II helix	trans	-51.5	143.7	177.3	-27	35	0	0	0	112.2	R29	R29-P184 VanDerWaalsContact NH2-C 3.3Å; R29-P184 PolarHBondContact NH2-O 3.45Å
185	P	79.7	Confident	82.8	Confident	54 Å²	54	67.9 Å²	67.9	35%	0.351	42%	0.422	S	S	.	.	P	Polyproline II helix	trans	-59.7	141.7	177	28.1	-35.3	0	0	0	111.5	S153 V187	S153-P185 WeakPolarHBondContact O-CB 3.32Å; P185-V187 WeakPolarHBondContact CB-O 3.18Å; P185-V187 PolarHBondContact O-N 3.16Å
186	E	79.3	Confident	82.7	Confident	70 Å²	70	68.5 Å²	68.5	33%	0.327	43%	0.425	S	S	.	.	S	Bend	trans	-70	-29.5	174	-71.6	-152.8	159.3	0	0	112.1	F35 K37 R152	F35-E186 HydrophobicContact CB-CG 3.72Å; F35-E186 HydrophobicContact CD1-CG 3.94Å; F35-E186 WeakPolarHBondContact CD1-OE1 3.25Å; F35-E186 WeakPolarHBondContact CD1-OE2 3.04Å; F35-E186 WeakPolarHBondContact CE1-OE2 3.22Å; F35-E186 HydrophobicContact CG-CG 3.96Å; K37-E186 WeakPolarHBondContact CE-OE1 3.48Å; K37-E186 VanDerWaalsContact CE-OE2 3.27Å; K37-E186 WeakPolarHBondContact CE-OE2 3.18Å; K37-E186 IonicContact NZ-OE1 3.65Å; R152-E186 HydrophobicContact CG-CB 4.03Å; R152-E186 IonicContact NE-OE2 3.77Å; R152-E186 PolarHBondContact O-N 2.6Å
187	V	82.9	Confident	82.5	Confident	38 Å²	38	67.5 Å²	67.5	23%	0.23	42%	0.421	C	S	.	.	S	Bend	trans	-134.8	136.9	175.2	-60.4	0	0	0	0	108.3	D125 R152 S153 P185	D125-V187 HydrophobicContact CB-CG2 4Å; R152-V187 HydrophobicContact CB-CG2 4.15Å; R152-V187 HydrophobicContact CG-CG1 4.46Å; R152-V187 HydrophobicContact CG-CG2 3.75Å; R152-V187 VanDerWaalsContact CZ-CG1 3.45Å; S153-V187 WeakPolarHBondContact CA-O 3.37Å; S153-V187 WeakPolarHBondContact CB-O 3.48Å; P185-V187 WeakPolarHBondContact CB-O 3.18Å; P185-V187 PolarHBondContact O-N 3.16Å
188	V	85.8	Confident	82.5	Confident	124 Å²	124	66.7 Å²	66.7	75%	0.752	41%	0.411	S	S	*	.	P	Polyproline II helix	trans	-81.5	125.9	173.6	-178.3	0	0	0	0	107.6	D190	V188-D190 PolarHBondContact O-N 3.16Å
189	M	86.7	Confident	83	Confident	19 Å²	19	69.6 Å²	69.6	9%	0.094	42%	0.415	C	S	.	.	P	Polyproline II helix	trans	-64.5	126.9	170.3	-172.2	63.9	-176.5	0	0	108.5	V124 D125 Y155 P191 L193 A194 Y197	V124-M189 HydrophobicContact CG2-CE 4.02Å; V124-M189 HydrophobicContact CG2-SD 4.42Å; D125-M189 HydrophobicContact CB-SD 4.42Å; Y155-M189 HydrophobicContact CD2-CG 4.14Å; Y155-M189 HydrophobicContact CG-CG 4.15Å; M189-P191 VanDerWaalsContact O-CD 3.25Å; M189-P191 WeakPolarHBondContact O-CD 3.44Å; M189-L193 HydrophobicContact CE-CB 4.3Å; M189-L193 HydrophobicContact CE-CD2 3.96Å; M189-L193 HydrophobicContact CE-CG 3.99Å; M189-A194 HydrophobicContact CE-CB 4.44Å; M189-A194 HydrophobicContact CG-CB 4.05Å; M189-Y197 HydrophobicContact CE-CD2 3.68Å; M189-Y197 HydrophobicContact CE-CE2 3.5Å
190	D	89.4	Confident	84	Confident	91 Å²	91	65.6 Å²	65.6	49%	0.487	40%	0.397	S	S	.	.	P	Polyproline II helix	trans	-60.7	117.8	174.8	175.9	-0.3	0	0	0	109.1	V188 A192 L193 A194	V188-D190 PolarHBondContact O-N 3.16Å; D190-A192 PolarHBondContact O-N 3.41Å; D190-A192 WeakPolarHBondContact OD1-CB 3.42Å; D190-A192 PolarHBondContact OD1-N 3.43Å; D190-L193 HydrophobicContact CB-CB 3.81Å; D190-L193 WeakPolarHBondContact O-CB 3.38Å; D190-L193 PolarHBondContact O-N 3.22Å; D190-A194 PolarHBondContact O-N 2.99Å
191	P	89.8	Confident	85	Confident	100 Å²	100	64.7 Å²	64.7	65%	0.649	39%	0.39	S	S	*	.	H	α-helix	trans	-58.3	-33.1	-178.6	-25.3	35.2	0	0	0	113.5	M189 L193 A194 A195	M189-P191 VanDerWaalsContact O-CD 3.25Å; M189-P191 WeakPolarHBondContact O-CD 3.44Å; P191-L193 VanDerWaalsContact C-N 3.34Å; P191-A194 PolarHBondContact O-N 3.38Å; P191-A195 WeakPolarHBondContact O-CB 3.4Å; P191-A195 PolarHBondContact O-N 3.32Å
192	A	91.5	Very high	86.3	Confident	67 Å²	67	65.5 Å²	65.5	55%	0.554	38%	0.376	S	S	*	.	H	α-helix	trans	-68	-38.7	177	0	0	0	0	0	111.1	D190 Q196	D190-A192 PolarHBondContact O-N 3.41Å; D190-A192 WeakPolarHBondContact OD1-CB 3.42Å; D190-A192 PolarHBondContact OD1-N 3.43Å; A192-Q196 WeakPolarHBondContact O-CB 3.29Å; A192-Q196 PolarHBondContact O-N 3.2Å
193	L	89.7	Confident	87.2	Confident	39 Å²	39	66.3 Å²	66.3	20%	0.204	38%	0.383	C	S	.	.	H	α-helix	trans	-69.7	-41.2	176.4	-170.5	62.8	0	0	0	111.8	M189 D190 P191 Q196 Y197	M189-L193 HydrophobicContact CE-CB 4.3Å; M189-L193 HydrophobicContact CE-CD2 3.96Å; M189-L193 HydrophobicContact CE-CG 3.99Å; D190-L193 HydrophobicContact CB-CB 3.81Å; D190-L193 WeakPolarHBondContact O-CB 3.38Å; D190-L193 PolarHBondContact O-N 3.22Å; P191-L193 VanDerWaalsContact C-N 3.34Å; L193-Q196 WeakPolarHBondContact O-CB 3.26Å; L193-Q196 PolarHBondContact O-N 3.03Å; L193-Y197 HydrophobicContact CD1-CD1 4.32Å; L193-Y197 HydrophobicContact CD1-CE1 3.53Å; L193-Y197 HydrophobicContact CD1-CE2 4.16Å; L193-Y197 VanDerWaalsContact CD1-CZ 3.45Å; L193-Y197 WeakPolarHBondContact CD1-OH 3.39Å; L193-Y197 HydrophobicContact CD2-CE2 4.04Å; L193-Y197 HydrophobicContact CG-CD2 4.32Å; L193-Y197 HydrophobicContact CG-CE1 3.99Å; L193-Y197 HydrophobicContact CG-CE2 3.67Å; L193-Y197 VanDerWaalsContact CG-CZ 3.48Å; L193-Y197 VanDerWaalsContact O-CG 3.31Å; L193-Y197 PolarHBondContact O-N 3.29Å
194	A	90.6	Very high	88	Confident	12 Å²	12	65.3 Å²	65.3	10%	0.099	38%	0.375	C	S	.	.	H	α-helix	trans	-59.7	-46.9	174.5	0	0	0	0	0	111.6	Y155 M189 D190 P191 Q196 Y197 E198	Y155-A194 HydrophobicContact CD2-CB 4.29Å; Y155-A194 HydrophobicContact CE2-CB 3.63Å; M189-A194 HydrophobicContact CE-CB 4.44Å; M189-A194 HydrophobicContact CG-CB 4.05Å; D190-A194 PolarHBondContact O-N 2.99Å; P191-A194 PolarHBondContact O-N 3.38Å; A194-Q196 VanDerWaalsContact C-N 3.32Å; A194-Q196 PolarHBondContact O-N 3.12Å; A194-Y197 PolarHBondContact O-N 3.24Å; A194-E198 PolarHBondContact O-N 3.38Å
195	A	91.9	Very high	88.3	Confident	57 Å²	57	64.7 Å²	64.7	47%	0.471	36%	0.363	S	S	.	.	H	α-helix	trans	-62.9	-38.1	175.9	0	0	0	0	0	112.3	P191 H199	P191-A195 WeakPolarHBondContact O-CB 3.4Å; P191-A195 PolarHBondContact O-N 3.32Å; A195-H199 WeakPolarHBondContact O-CB 3.48Å; A195-H199 PolarHBondContact O-N 3.26Å
196	Q	92.3	Very high	88.6	Confident	105 Å²	105	67.9 Å²	67.9	49%	0.491	38%	0.381	S	S	.	.	H	α-helix	trans	-62.7	-44.2	174.8	-177.6	176.3	10.8	0	0	111.9	A192 L193 A194 H199 D200	A192-Q196 WeakPolarHBondContact O-CB 3.29Å; A192-Q196 PolarHBondContact O-N 3.2Å; L193-Q196 WeakPolarHBondContact O-CB 3.26Å; L193-Q196 PolarHBondContact O-N 3.03Å; A194-Q196 VanDerWaalsContact C-N 3.32Å; A194-Q196 PolarHBondContact O-N 3.12Å; Q196-H199 PolarHBondContact O-N 3.01Å; Q196-D200 WeakPolarHBondContact O-CB 3.27Å; Q196-D200 PolarHBondContact O-N 3.21Å
197	Y	90.6	Very high	88.8	Confident	18 Å²	18	67.9 Å²	67.9	7%	0.071	39%	0.386	C	S	.	.	H	α-helix	trans	-66.5	-39.6	178.9	-65	-18.8	0	0	0	112.6	V124 M129 M189 L193 A194 H199 D200 L201	V124-Y197 HydrophobicContact CB-CD2 4.1Å; V124-Y197 HydrophobicContact CB-CE2 3.83Å; V124-Y197 HydrophobicContact CG2-CD2 4.48Å; V124-Y197 HydrophobicContact CG2-CE2 4.47Å; V124-Y197 WeakPolarHBondContact O-CE2 3.41Å; M129-Y197 HydrophobicContact CE-CD1 4.06Å; M129-Y197 HydrophobicContact CE-CE1 3.27Å; M129-Y197 HydrophobicContact CE-CE2 4.02Å; M129-Y197 WeakPolarHBondContact CE-OH 3.4Å; M129-Y197 HydrophobicContact SD-CE1 4.35Å; M129-Y197 HydrophobicContact SD-CE2 4.05Å; M129-Y197 PolarHBondContact SD-OH 3.26Å; M189-Y197 HydrophobicContact CE-CD2 3.68Å; M189-Y197 HydrophobicContact CE-CE2 3.5Å; L193-Y197 HydrophobicContact CD1-CD1 4.32Å; L193-Y197 HydrophobicContact CD1-CE1 3.53Å; L193-Y197 HydrophobicContact CD1-CE2 4.16Å; L193-Y197 VanDerWaalsContact CD1-CZ 3.45Å; L193-Y197 WeakPolarHBondContact CD1-OH 3.39Å; L193-Y197 HydrophobicContact CD2-CE2 4.04Å; L193-Y197 HydrophobicContact CG-CD2 4.32Å; L193-Y197 HydrophobicContact CG-CE1 3.99Å; L193-Y197 HydrophobicContact CG-CE2 3.67Å; L193-Y197 VanDerWaalsContact CG-CZ 3.48Å; L193-Y197 VanDerWaalsContact O-CG 3.31Å; L193-Y197 PolarHBondContact O-N 3.29Å; A194-Y197 PolarHBondContact O-N 3.24Å; Y197-H199 VanDerWaalsContact C-N 3.35Å; Y197-D200 PolarHBondContact O-N 2.77Å; Y197-L201 WeakPolarHBondContact O-CG 3.22Å; Y197-L201 PolarHBondContact O-N 3.25Å
198	E	90.8	Very high	88.9	Confident	78 Å²	78	70.1 Å²	70.1	36%	0.364	41%	0.408	S	S	.	.	H	α-helix	trans	-60.3	-45.6	173.1	-72.6	176.8	-177.2	0	0	111.3	Y155 K159 A194 L201 E202	Y155-E198 WeakPolarHBondContact OH-CG 3.06Å; Y155-E198 PolarHBondContact OH-OE1 3.27Å; K159-E198 IonicContact NZ-OE1 2.65Å; A194-E198 PolarHBondContact O-N 3.38Å; E198-L201 PolarHBondContact O-N 3.31Å; E198-E202 WeakPolarHBondContact O-CG 3.42Å; E198-E202 PolarHBondContact O-N 2.81Å
199	H	92.5	Very high	88.6	Confident	110 Å²	110	67.2 Å²	67.2	51%	0.509	39%	0.388	S	S	.	.	H	α-helix	trans	-61.4	-46.5	175.6	-177.3	64.7	0	0	0	112.7	A195 Q196 Y197 L201 E202 V203	A195-H199 WeakPolarHBondContact O-CB 3.48Å; A195-H199 PolarHBondContact O-N 3.26Å; Q196-H199 PolarHBondContact O-N 3.01Å; Y197-H199 VanDerWaalsContact C-N 3.35Å; H199-L201 PolarHBondContact O-N 3.12Å; H199-E202 PolarHBondContact O-N 3.01Å; H199-V203 WeakPolarHBondContact O-CG2 3.49Å; H199-V203 PolarHBondContact O-N 3.35Å
200	D	90.6	Very high	88.2	Confident	58 Å²	58	69.2 Å²	69.2	31%	0.31	40%	0.403	S	S	.	.	H	α-helix	trans	-60	-35.2	178.5	-76.9	-8.4	0	0	0	111.5	A133 Q196 Y197 A204	A133-D200 HydrophobicContact CB-CB 3.85Å; Q196-D200 WeakPolarHBondContact O-CB 3.27Å; Q196-D200 PolarHBondContact O-N 3.21Å; Y197-D200 PolarHBondContact O-N 2.77Å; D200-A204 WeakPolarHBondContact O-CB 3.16Å; D200-A204 PolarHBondContact O-N 2.94Å
201	L	89.4	Confident	87.3	Confident	21 Å²	21	71.2 Å²	71.2	11%	0.11	41%	0.413	C	S	.	.	H	α-helix	trans	-70.2	-42.8	175	-73.8	172.8	0	0	0	112.8	A133 Y146 D148 Y197 E198 H199 V203 A204 Q205	A133-L201 HydrophobicContact CB-CD2 3.83Å; A133-L201 HydrophobicContact CB-CG 4.26Å; Y146-L201 HydrophobicContact CD1-CD1 4.1Å; Y146-L201 HydrophobicContact CD1-CD2 3.61Å; Y146-L201 HydrophobicContact CE1-CD1 3.85Å; Y146-L201 HydrophobicContact CE1-CD2 3.39Å; Y146-L201 HydrophobicContact CE1-CG 4.27Å; D148-L201 HydrophobicContact CB-CD1 4.34Å; Y197-L201 WeakPolarHBondContact O-CG 3.22Å; Y197-L201 PolarHBondContact O-N 3.25Å; E198-L201 PolarHBondContact O-N 3.31Å; H199-L201 PolarHBondContact O-N 3.12Å; L201-V203 VanDerWaalsContact C-N 3.33Å; L201-V203 PolarHBondContact O-N 3.42Å; L201-A204 PolarHBondContact O-N 2.85Å; L201-Q205 WeakPolarHBondContact O-CB 3.35Å; L201-Q205 VanDerWaalsContact O-CG 3.27Å; L201-Q205 WeakPolarHBondContact O-CG 2.77Å; L201-Q205 PolarHBondContact O-N 3.16Å
202	E	90.5	Very high	85.9	Confident	118 Å²	118	74.2 Å²	74.2	55%	0.551	42%	0.419	S	S	*	.	H	α-helix	trans	-60.8	-43.1	175.7	-71.9	175.5	173.6	0	0	111.6	E198 H199 Q205 T206	E198-E202 WeakPolarHBondContact O-CG 3.42Å; E198-E202 PolarHBondContact O-N 2.81Å; H199-E202 PolarHBondContact O-N 3.01Å; E202-Q205 PolarHBondContact O-N 3.14Å; E202-T206 PolarHBondContact O-N 3.5Å; E202-T206 PolarHBondContact O-OG1 3.18Å
203	V	89.9	Confident	84	Confident	68 Å²	68	79.4 Å²	79.4	41%	0.412	43%	0.432	S	S	.	.	H	α-helix	trans	-63.5	-43.2	174.7	175	0	0	0	0	110.8	H199 L201 Q205 T206 T207	H199-V203 WeakPolarHBondContact O-CG2 3.49Å; H199-V203 PolarHBondContact O-N 3.35Å; L201-V203 VanDerWaalsContact C-N 3.33Å; L201-V203 PolarHBondContact O-N 3.42Å; V203-Q205 VanDerWaalsContact C-N 3.33Å; V203-Q205 PolarHBondContact O-N 2.82Å; V203-T206 PolarHBondContact O-N 2.98Å; V203-T206 PolarHBondContact O-OG1 3.18Å; V203-T207 PolarHBondContact O-N 2.82Å; V203-T207 VanDerWaalsContact O-N 3.12Å; V203-T207 PolarHBondContact O-OG1 2.81Å
204	A	87.2	Confident	82.2	Confident	15 Å²	15	83.9 Å²	83.9	12%	0.124	46%	0.456	C	S	.	.	H	α-helix	trans	-66.2	-32.6	177.9	0	0	0	0	0	113.2	A133 R140 D200 L201	A133-A204 HydrophobicContact CB-CB 4.31Å; R140-A204 PolarHBondContact NH1-O 2.72Å; D200-A204 WeakPolarHBondContact O-CB 3.16Å; D200-A204 PolarHBondContact O-N 2.94Å; L201-A204 PolarHBondContact O-N 2.85Å
205	Q	83.8	Confident	80.4	Confident	97 Å²	97	88.5 Å²	88.5	45%	0.453	48%	0.478	S	S	.	.	H	α-helix	trans	-68.8	-35	177.1	-77.2	173.8	7.1	0	0	112.7	R140 L201 E202 V203	R140-Q205 PolarHBondContact NH2-O 3.01Å; L201-Q205 WeakPolarHBondContact O-CB 3.35Å; L201-Q205 VanDerWaalsContact O-CG 3.27Å; L201-Q205 WeakPolarHBondContact O-CG 2.77Å; L201-Q205 PolarHBondContact O-N 3.16Å; E202-Q205 PolarHBondContact O-N 3.14Å; V203-Q205 VanDerWaalsContact C-N 3.33Å; V203-Q205 PolarHBondContact O-N 2.82Å
206	T	85.7	Confident	77.6	Confident	121 Å²	121	96.7 Å²	96.7	74%	0.742	51%	0.513	S	S	*	.	H	α-helix	trans	-85.5	-15.2	179.1	54	0	0	0	0	113.5	E202 V203	E202-T206 PolarHBondContact O-N 3.5Å; E202-T206 PolarHBondContact O-OG1 3.18Å; V203-T206 PolarHBondContact O-N 2.98Å; V203-T206 PolarHBondContact O-OG1 3.18Å
207	T	84.4	Confident	76.9	Confident	70 Å²	70	96.3 Å²	96.3	43%	0.429	51%	0.514	S	S	.	.	S	Bend	trans	-69.7	140	175.1	-58.1	0	0	0	0	110.6	R140 V203	R140-T207 PolarHBondContact NH1-O 2.89Å; R140-T207 PolarHBondContact NH2-O 2.94Å; V203-T207 PolarHBondContact O-N 2.82Å; V203-T207 VanDerWaalsContact O-N 3.12Å; V203-T207 PolarHBondContact O-OG1 2.81Å
208	A	83.1	Confident	76.2	Confident	84 Å²	84	100.4 Å²	100.4	69%	0.694	54%	0.538	S	S	*	.	P	Polyproline II helix	trans	-59.9	145.1	174.9	0	0	0	0	0	111.5
209	L	80.8	Confident	75.4	Confident	64 Å²	64	101.6 Å²	101.6	34%	0.335	55%	0.547	S	S	.	.	P	Polyproline II helix	trans	-71	139.9	170.8	-69.5	174.6	0	0	0	108.8	L137 R140 K141	L137-L209 HydrophobicContact CB-CD2 4.08Å; L137-L209 HydrophobicContact CD1-CD2 4.31Å; L137-L209 HydrophobicContact CD2-CD2 3.93Å; L137-L209 HydrophobicContact CG-CD2 4.33Å; R140-L209 HydrophobicContact CB-CD1 4.11Å; R140-L209 HydrophobicContact CB-CD2 3.99Å; K141-L209 HydrophobicContact CG-CD1 4.43Å
210	P	77.7	Confident	74.4	Confident	61 Å²	61	101.1 Å²	101.1	40%	0.396	55%	0.549	S	S	.	.	P	Polyproline II helix	trans	-56.1	147	165.4	-18	30.5	0	0	0	109.7	L137	L137-P210 VanDerWaalsContact CD1-CD 3.49Å; L137-P210 HydrophobicContact CD1-CG 3.89Å
211	D	71.2	Confident	73.4	Confident	133 Å²	133	103.8 Å²	103.8	71%	0.711	56%	0.564	S	S	*	*	P	Polyproline II helix	trans	-58.7	142.5	175.2	-65.9	-39.4	0	0	0	109.8	E213 D214	D211-E213 PolarHBondContact O-N 3.03Å; D211-D214 PolarHBondContact O-N 3.32Å
212	E	60.1	Low	72.3	Confident	162 Å²	162	109.3 Å²	109.3	76%	0.757	60%	0.595	S	S	*	*	G	3₁₀ helix	trans	-59.5	-14.9	-172.8	-70.8	-167.8	151.4	0	0	114	D214 D215	E212-D214 PolarHBondContact O-N 3.26Å; E212-D215 PolarHBondContact O-N 3.24Å
213	E	51	Low	71	Confident	177 Å²	177	108.7 Å²	108.7	83%	0.827	60%	0.598	S	S	*	*	G	3₁₀ helix	trans	-66.8	-16.9	178.4	-63.7	-169.9	169	0	0	113.6	D211 D215	D211-E213 PolarHBondContact O-N 3.03Å; E213-D215 PolarHBondContact O-N 2.72Å
214	D	53.3	Low	69.5	Low	133 Å²	133	111.8 Å²	111.8	71%	0.711	61%	0.612	S	S	*	*	G	3₁₀ helix	trans	-83.2	-2.5	-179.2	-85.4	-20.1	0	0	0	114.9	D211 E212	D211-D214 PolarHBondContact O-N 3.32Å; E212-D214 PolarHBondContact O-N 3.26Å
215	D	51.7	Low	68.1	Low	108 Å²	108	119.9 Å²	119.9	58%	0.578	65%	0.653	S	S	*	*	G	3₁₀ helix	trans	-102.7	14.3	-177	-68.4	-35.8	0	0	0	115.4	K141 E212 E213	K141-D215 IonicContact NZ-OD1 3.71Å; K141-D215 PolarHBondContact NZ-OD1 3.4Å; K141-D215 IonicContact NZ-OD2 3.45Å; K141-D215 PolarHBondContact NZ-OD2 2.67Å; E212-D215 PolarHBondContact O-N 3.24Å; E213-D215 PolarHBondContact O-N 2.72Å
216	L	34.2	Very low	66.6	Low	229 Å²	229	122 Å²	122	100%	1.199	67%	0.671	S	S	*	*			trans	-90	0	172	-76	170.2	0	0	0	112.8

Retrieved 216 of 216 residues in 147.9 ms (Link to these results)

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