A0A087XS96_POEFO Loading...

Ras-related and estrogen-regulated growth inhibitor

AlphaFold DB , UniProt , Accession A0A087XS96, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 200 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	40	Very low	77.5	Confident	243 Å²	243	66.5 Å²	66.5	100%	1.197	36%	0.363	S	S	*	.				0	132.9	0	-74.7	166.2	82.4	0	0	108.1	K3	M1-K3 PolarHBondContact O-N 3.26Å
2	A	50.2	Low	79.2	Confident	99 Å²	99	61.3 Å²	61.3	82%	0.818	33%	0.334	S	S	*	.	P	Polyproline II helix	trans	-62.4	133.9	171.9	0	0	0	0	0	108.7	S4	A2-S4 PolarHBondContact O-N 3.46Å
3	K	54.9	Low	80.7	Confident	172 Å²	172	57.2 Å²	57.2	75%	0.748	31%	0.314	S	S	*	.	P	Polyproline II helix	trans	-62.7	122.3	177.8	-169	178.8	177.2	-169.7	0	108	M1 E6	M1-K3 PolarHBondContact O-N 3.26Å; K3-E6 IonicContact NZ-OE2 3.28Å; K3-E6 PolarHBondContact NZ-OE2 3.01Å
4	S	61.3	Low	81.8	Confident	53 Å²	53	57.4 Å²	57.4	37%	0.371	31%	0.311	S	S	.	.	P	Polyproline II helix	trans	-55.1	141	175.5	-35.4	0	0	0	0	109.6	A2 E6	A2-S4 PolarHBondContact O-N 3.46Å; S4-E6 PolarHBondContact O-N 3.28Å
5	P	69.6	Low	82.7	Confident	57 Å²	57	55.7 Å²	55.7	37%	0.37	31%	0.307	S	S	.	.	P	Polyproline II helix	trans	-60.5	124.8	179.7	23.7	-31.1	0	0	0	109.8	T55	P5-T55 PolarHBondContact O-N 2.71Å
6	E	89.2	Confident	83.4	Confident	47 Å²	47	55.7 Å²	55.7	22%	0.22	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	125.5	178.2	-173.2	161.2	-127.3	0	0	108.7	K3 S4 R44 T55 E57 K172	K3-E6 IonicContact NZ-OE2 3.28Å; K3-E6 PolarHBondContact NZ-OE2 3.01Å; S4-E6 PolarHBondContact O-N 3.28Å; E6-R44 IonicContact OE1-CZ 3.84Å; E6-R44 IonicContact OE1-NH1 3.11Å; E6-R44 PolarHBondContact OE1-NH1 3.33Å; E6-R44 IonicContact OE1-NH2 3.67Å; E6-R44 PolarHBondContact OE1-NH2 2.99Å; E6-T55 WeakPolarHBondContact CA-O 3.43Å; E6-E57 VanDerWaalsContact OE1-OE1 3.14Å; E6-K172 PolarHBondContact O-NZ 2.91Å
7	V	95.1	Very high	84.2	Confident	1 Å²	1	52.5 Å²	52.5	1%	0.006	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	123.6	-178.6	172.9	0	0	0	0	108.7	L9 V54 T55 M56 E57 V168 R169	V7-L9 HydrophobicContact CG1-CD2 3.42Å; V7-L9 VanDerWaalsContact CG1-CD2 3.42Å; V7-L9 HydrophobicContact CG1-CG 4Å; V7-V54 HydrophobicContact CB-CG1 4.49Å; V7-V54 HydrophobicContact CG2-CG1 4.02Å; V7-T55 PolarHBondContact N-O 2.92Å; V7-M56 CarbonylContact O-C 3.6Å; V7-M56 VanDerWaalsContact O-CA 3.3Å; V7-M56 WeakPolarHBondContact O-CA 3.36Å; V7-E57 PolarHBondContact O-N 3.3Å; V7-V168 HydrophobicContact CG1-CB 4.03Å; V7-V168 HydrophobicContact CG1-CG1 3.85Å; V7-V168 HydrophobicContact CG1-CG2 4.13Å; V7-V168 HydrophobicContact CG2-CG1 4.08Å; V7-R169 HydrophobicContact CG2-CG 4.25Å
8	K	96.9	Very high	84.9	Confident	59 Å²	59	50.5 Å²	50.5	26%	0.257	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	118.5	176.7	-66.2	177.9	170.3	-164.3	0	110.2	E57 W76 D78 G79	K8-E57 CarbonylContact C-O 3.54Å; K8-E57 WeakPolarHBondContact CA-O 3.45Å; K8-E57 VanDerWaalsContact CE-OE2 3.31Å; K8-E57 WeakPolarHBondContact CE-OE2 3.38Å; K8-E57 HydrophobicContact CG-CB 4.26Å; K8-W76 HydrophobicContact CB-CD2 4.37Å; K8-W76 HydrophobicContact CB-CE3 4.24Å; K8-W76 HydrophobicContact CB-CH2 3.83Å; K8-W76 HydrophobicContact CB-CZ2 3.98Å; K8-W76 HydrophobicContact CB-CZ3 3.96Å; K8-W76 HydrophobicContact CD-CD2 4.11Å; K8-W76 HydrophobicContact CD-CG 4.44Å; K8-W76 HydrophobicContact CD-CZ2 3.93Å; K8-W76 WeakPolarHBondContact CD-O 3.44Å; K8-W76 HydrophobicContact CG-CH2 4.16Å; K8-W76 HydrophobicContact CG-CZ2 3.83Å; K8-D78 HydrophobicContact CB-CB 4.46Å; K8-D78 PolarHBondContact N-OD2 2.75Å; K8-D78 WeakPolarHBondContact O-CA 3.35Å; K8-D78 WeakPolarHBondContact O-CB 3.45Å; K8-D78 PolarHBondContact O-N 3.26Å; K8-G79 PolarHBondContact O-N 2.96Å; K8-G79 VanDerWaalsContact O-N 3.1Å
9	L	98.1	Very high	85.5	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	132.9	179.7	-54.8	-175.1	0	0	0	109.2	V7 M56 E57 I58 L59 W76 G79 F161 L164 V168	V7-L9 HydrophobicContact CG1-CD2 3.42Å; V7-L9 VanDerWaalsContact CG1-CD2 3.42Å; V7-L9 HydrophobicContact CG1-CG 4Å; L9-M56 HydrophobicContact CD1-CG 4.39Å; L9-M56 HydrophobicContact CD1-SD 4.35Å; L9-E57 PolarHBondContact N-O 3.39Å; L9-I58 HydrophobicContact CB-CG1 4.45Å; L9-I58 HydrophobicContact CD1-CG1 4.46Å; L9-I58 CarbonylContact O-C 3.59Å; L9-I58 WeakPolarHBondContact O-CA 3.19Å; L9-L59 PolarHBondContact O-N 2.97Å; L9-W76 WeakPolarHBondContact O-CZ3 3.39Å; L9-G79 WeakPolarHBondContact CA-O 3.45Å; L9-F161 HydrophobicContact CD1-CD1 4.01Å; L9-L164 HydrophobicContact CD1-CD2 4.37Å; L9-L164 HydrophobicContact CD2-CD2 3.68Å; L9-L164 HydrophobicContact CD2-CG 3.78Å; L9-L164 HydrophobicContact CG-CD2 4.43Å; L9-V168 HydrophobicContact CD2-CG2 4.4Å
10	A	98.3	Very high	86.1	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	132.8	172.6	0	0	0	0	0	110.4	F12 L59 W76 G79 F80 I81	A10-F12 HydrophobicContact CB-CD2 4.24Å; A10-F12 HydrophobicContact CB-CE2 3.7Å; A10-F12 HydrophobicContact CB-CZ 4.46Å; A10-L59 HydrophobicContact CB-CB 4.35Å; A10-L59 HydrophobicContact CB-CD2 4.29Å; A10-W76 HydrophobicContact CB-CZ3 4.38Å; A10-G79 PolarHBondContact N-O 3.3Å; A10-F80 HydrophobicContact CB-CD1 3.92Å; A10-F80 HydrophobicContact CB-CE1 3.92Å; A10-F80 WeakPolarHBondContact O-CA 3.42Å; A10-I81 PolarHBondContact O-N 3.42Å
11	V	98.5	Very high	86.5	Confident	1 Å²	1	45.4 Å²	45.4	1%	0.006	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	115.7	-179.3	-172.4	0	0	0	0	109.1	K19 V23 I58 L59 T61 I81 V83 F161	V11-K19 HydrophobicContact CG1-CB 3.84Å; V11-K19 HydrophobicContact CG1-CD 4.35Å; V11-K19 HydrophobicContact CG1-CG 4.01Å; V11-V23 HydrophobicContact CB-CG2 4.49Å; V11-V23 HydrophobicContact CG2-CG2 3.84Å; V11-I58 HydrophobicContact CG2-CG2 4.13Å; V11-L59 PolarHBondContact N-O 3.03Å; V11-T61 VanDerWaalsContact O-CG2 3.29Å; V11-T61 WeakPolarHBondContact O-CG2 3.42Å; V11-T61 PolarHBondContact O-OG1 3.44Å; V11-T61 VanDerWaalsContact O-OG1 3.11Å; V11-I81 WeakPolarHBondContact CA-O 3.45Å; V11-I81 HydrophobicContact CG1-CB 4.38Å; V11-I81 HydrophobicContact CG1-CG2 4.47Å; V11-I81 HydrophobicContact CG2-CB 4.4Å; V11-I81 HydrophobicContact CG2-CD1 4.39Å; V11-V83 HydrophobicContact CG1-CG2 3.71Å; V11-F161 HydrophobicContact CG2-CE1 4.2Å; V11-F161 HydrophobicContact CG2-CZ 4.21Å
12	F	98.4	Very high	89.2	Confident	3 Å²	3	34 Å²	34	1%	0.013	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	163.9	-179.6	-73.7	-79.2	0	0	0	111.8	A10 T61 K70 H73 M74 F80 I81 I82 V83 L98	A10-F12 HydrophobicContact CB-CD2 4.24Å; A10-F12 HydrophobicContact CB-CE2 3.7Å; A10-F12 HydrophobicContact CB-CZ 4.46Å; F12-T61 HydrophobicContact CD1-CG2 4.19Å; F12-T61 HydrophobicContact CE1-CG2 4.06Å; F12-T61 HydrophobicContact CZ-CG2 4.49Å; F12-K70 HydrophobicContact CE1-CB 4.37Å; F12-K70 HydrophobicContact CE1-CG 4.27Å; F12-H73 HydrophobicContact CE1-CB 4.29Å; F12-H73 HydrophobicContact CZ-CB 3.67Å; F12-M74 HydrophobicContact CE2-CG 4Å; F12-M74 HydrophobicContact CZ-CE 4.37Å; F12-M74 HydrophobicContact CZ-CG 3.83Å; F12-F80 HydrophobicContact CD2-CD1 4.01Å; F12-F80 AromaticContact CE2-CD1 3.68Å; F12-F80 HydrophobicContact CE2-CD1 3.68Å; F12-F80 AromaticContact CE2-CE1 3.97Å; F12-F80 HydrophobicContact CE2-CE1 3.97Å; F12-I81 PolarHBondContact N-O 2.75Å; F12-I82 HydrophobicContact CB-CG1 4.42Å; F12-I82 WeakPolarHBondContact O-CA 3.29Å; F12-V83 PolarHBondContact O-N 3.13Å; F12-L98 HydrophobicContact CB-CD1 4.35Å
13	G	98.1	Very high	91.4	Very high	8 Å²	8	29.3 Å²	29.3	8%	0.082	18%	0.176	C	C	.	.			trans	144.2	160.7	179.9	0	0	0	0	0	110.9	K19 G63 V83	G13-K19 PolarHBondContact O-NZ 3.34Å; G13-G63 VanDerWaalsContact O-CA 3.26Å; G13-G63 WeakPolarHBondContact O-CA 3.46Å; G13-V83 WeakPolarHBondContact CA-O 3.19Å
14	K	97.1	Very high	93.3	Very high	61 Å²	61	21.9 Å²	21.9	27%	0.265	15%	0.145	S	C	.	.	S	Bend	trans	-51.8	151.7	179.3	-169.3	179.7	175.8	-169	0	111.9	G16 V17 K19 D88 E94	K14-G16 PolarHBondContact O-N 3.47Å; K14-V17 HydrophobicContact CB-CG1 3.84Å; K14-V17 WeakPolarHBondContact O-CG1 3.47Å; K14-V17 WeakPolarHBondContact O-CG2 3.37Å; K14-V17 PolarHBondContact O-N 3.12Å; K14-K19 PolarHBondContact O-NZ 2.97Å; K14-D88 IonicContact NZ-OD1 3.55Å; K14-D88 IonicContact NZ-OD2 2.76Å; K14-D88 PolarHBondContact NZ-OD2 2.79Å; K14-E94 WeakPolarHBondContact CB-OE2 3.37Å; K14-E94 WeakPolarHBondContact CD-OE1 3.46Å
15	A	95.3	Very high	94.9	Very high	31 Å²	31	21.2 Å²	21.2	26%	0.256	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	138.3	171.1	0	0	0	0	0	111	V17 G63 Q64	A15-V17 PolarHBondContact O-N 3.03Å; A15-G63 PolarHBondContact N-O 2.88Å; A15-Q64 HydrophobicContact CB-CG 3.77Å
16	G	94.3	Very high	96.1	Very high	56 Å²	56	19.1 Å²	19.1	58%	0.577	12%	0.119	S	C	*	.	T	Hydrogen-bonded Turn	trans	83.9	-4.2	176.5	0	0	0	0	0	116.9	K14 G18 K119	K14-G16 PolarHBondContact O-N 3.47Å; G16-G18 PolarHBondContact O-N 3.29Å; G16-K119 WeakPolarHBondContact O-CE 3.38Å; G16-K119 PolarHBondContact O-NZ 3.06Å
17	V	97.1	Very high	96.3	Very high	1 Å²	1	18.7 Å²	18.7	1%	0.006	12%	0.118	C	C	.	.	S	Bend	trans	-70.3	-14.3	177.1	-57.3	0	0	0	0	113.7	K14 A15 K19 V83 D85 N118	K14-V17 HydrophobicContact CB-CG1 3.84Å; K14-V17 WeakPolarHBondContact O-CG1 3.47Å; K14-V17 WeakPolarHBondContact O-CG2 3.37Å; K14-V17 PolarHBondContact O-N 3.12Å; A15-V17 PolarHBondContact O-N 3.03Å; V17-K19 HydrophobicContact CG2-CD 4.42Å; V17-K19 HydrophobicContact CG2-CG 3.68Å; V17-V83 HydrophobicContact CB-CG1 4.24Å; V17-V83 HydrophobicContact CG2-CB 3.89Å; V17-V83 HydrophobicContact CG2-CG1 3.77Å; V17-D85 HydrophobicContact CB-CB 4.21Å; V17-D85 HydrophobicContact CG1-CB 4.11Å; V17-N118 PolarHBondContact O-ND2 2.82Å
18	G	96.1	Very high	96.2	Very high	17 Å²	17	21.7 Å²	21.7	18%	0.175	14%	0.137	C	C	.	.			trans	98.3	27.8	177.2	0	0	0	0	0	115.6	G16 S20 A21 L22	G16-G18 PolarHBondContact O-N 3.29Å; G18-S20 PolarHBondContact O-N 3.33Å; G18-A21 WeakPolarHBondContact O-CB 3.46Å; G18-A21 PolarHBondContact O-N 3.38Å; G18-L22 WeakPolarHBondContact O-CG 3.38Å; G18-L22 PolarHBondContact O-N 3.3Å
19	K	97.1	Very high	95.8	Very high	7 Å²	7	29.2 Å²	29.2	3%	0.03	16%	0.164	C	C	.	.	H	α-helix	trans	-50.9	-56.3	174.4	-58.1	-176.4	-62.9	-74.8	0	112.2	V11 G13 K14 V17 A21 L22 V23 D60 T61 A62 G63 V83	V11-K19 HydrophobicContact CG1-CB 3.84Å; V11-K19 HydrophobicContact CG1-CD 4.35Å; V11-K19 HydrophobicContact CG1-CG 4.01Å; G13-K19 PolarHBondContact O-NZ 3.34Å; K14-K19 PolarHBondContact O-NZ 2.97Å; V17-K19 HydrophobicContact CG2-CD 4.42Å; V17-K19 HydrophobicContact CG2-CG 3.68Å; K19-A21 VanDerWaalsContact C-N 3.31Å; K19-A21 PolarHBondContact O-N 3.22Å; K19-L22 WeakPolarHBondContact O-CB 3.48Å; K19-L22 PolarHBondContact O-N 3.06Å; K19-L22 VanDerWaalsContact O-N 3.13Å; K19-V23 WeakPolarHBondContact O-CG2 3.35Å; K19-V23 PolarHBondContact O-N 3.11Å; K19-D60 WeakPolarHBondContact CB-OD1 3.33Å; K19-T61 WeakPolarHBondContact CE-O 3.48Å; K19-A62 PolarHBondContact NZ-O 3.12Å; K19-G63 VanDerWaalsContact NZ-CA 3.32Å; K19-V83 HydrophobicContact CG-CB 4.31Å; K19-V83 HydrophobicContact CG-CG2 4.34Å
20	S	95.8	Very high	95.3	Very high	17 Å²	17	37.9 Å²	37.9	12%	0.119	20%	0.196	C	C	.	.	H	α-helix	trans	-61.1	-39.3	178.5	-46.4	0	0	0	0	112.9	G18 L22 V23 V24 Y35 D60	G18-S20 PolarHBondContact O-N 3.33Å; S20-L22 VanDerWaalsContact C-N 3.34Å; S20-L22 PolarHBondContact O-N 3.27Å; S20-V23 PolarHBondContact O-N 3.13Å; S20-V24 WeakPolarHBondContact O-CB 3.44Å; S20-V24 VanDerWaalsContact O-CG2 3.3Å; S20-V24 WeakPolarHBondContact O-CG2 3.41Å; S20-V24 PolarHBondContact O-N 2.88Å; S20-Y35 WeakPolarHBondContact OG-CD1 3.31Å; S20-Y35 WeakPolarHBondContact OG-CE1 3.44Å; S20-D60 WeakPolarHBondContact CA-OD1 3.42Å; S20-D60 VanDerWaalsContact CA-OD2 3.27Å; S20-D60 WeakPolarHBondContact CA-OD2 3.43Å; S20-D60 WeakPolarHBondContact CB-OD2 3.42Å; S20-D60 PolarHBondContact N-OD1 3.28Å; S20-D60 PolarHBondContact OG-OD1 3.08Å; S20-D60 PolarHBondContact OG-OD2 3.36Å
21	A	95.3	Very high	94.6	Very high	21 Å²	21	40.5 Å²	40.5	17%	0.174	21%	0.208	C	C	.	.	H	α-helix	trans	-62.9	-40.5	176.5	0	0	0	0	0	112.1	G18 K19 R25 F31 A149	G18-A21 WeakPolarHBondContact O-CB 3.46Å; G18-A21 PolarHBondContact O-N 3.38Å; K19-A21 VanDerWaalsContact C-N 3.31Å; K19-A21 PolarHBondContact O-N 3.22Å; A21-R25 WeakPolarHBondContact O-CB 3.28Å; A21-R25 PolarHBondContact O-N 2.63Å; A21-F31 HydrophobicContact CB-CD2 4.27Å; A21-F31 HydrophobicContact CB-CE2 3.8Å; A21-A149 HydrophobicContact CB-CB 3.72Å
22	L	97	Very high	93.9	Very high	4 Å²	4	44.7 Å²	44.7	2%	0.021	23%	0.229	C	C	.	.	H	α-helix	trans	-66.4	-44.2	174.6	-69.8	169.5	0	0	0	111.6	G18 K19 S20 R25 F26 V83 V116 N118 C147 A149 V157	G18-L22 WeakPolarHBondContact O-CG 3.38Å; G18-L22 PolarHBondContact O-N 3.3Å; K19-L22 WeakPolarHBondContact O-CB 3.48Å; K19-L22 PolarHBondContact O-N 3.06Å; K19-L22 VanDerWaalsContact O-N 3.13Å; S20-L22 VanDerWaalsContact C-N 3.34Å; S20-L22 PolarHBondContact O-N 3.27Å; L22-R25 PolarHBondContact O-N 3Å; L22-F26 WeakPolarHBondContact O-CB 3.46Å; L22-F26 PolarHBondContact O-N 3.47Å; L22-V83 HydrophobicContact CD1-CB 4.44Å; L22-V83 HydrophobicContact CD1-CG1 3.65Å; L22-V83 HydrophobicContact CD1-CG2 3.85Å; L22-V116 HydrophobicContact CD1-CG1 3.98Å; L22-N118 HydrophobicContact CD1-CB 4.2Å; L22-C147 WeakPolarHBondContact CD2-SG 3.39Å; L22-A149 HydrophobicContact CD2-CB 3.92Å; L22-A149 HydrophobicContact CG-CB 4.27Å; L22-V157 HydrophobicContact CB-CG1 4.39Å; L22-V157 HydrophobicContact CD2-CB 4.45Å; L22-V157 HydrophobicContact CD2-CG1 3.98Å; L22-V157 HydrophobicContact CD2-CG2 3.63Å; L22-V157 WeakPolarHBondContact O-CG1 3.19Å
23	V	96.4	Very high	92.7	Very high	0 Å²	0	55 Å²	55	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-61.1	-49.1	177	173.4	0	0	0	0	110.5	V11 K19 S20 R25 F26 L27 Y43 I58 D60 F161	V11-V23 HydrophobicContact CB-CG2 4.49Å; V11-V23 HydrophobicContact CG2-CG2 3.84Å; K19-V23 WeakPolarHBondContact O-CG2 3.35Å; K19-V23 PolarHBondContact O-N 3.11Å; S20-V23 PolarHBondContact O-N 3.13Å; V23-R25 PolarHBondContact O-N 3.36Å; V23-F26 WeakPolarHBondContact O-CB 3.42Å; V23-F26 PolarHBondContact O-N 3.1Å; V23-L27 HydrophobicContact CG1-CD1 3.7Å; V23-L27 HydrophobicContact CG1-CG 4.3Å; V23-L27 WeakPolarHBondContact O-CB 3.5Å; V23-L27 WeakPolarHBondContact O-CG 3.34Å; V23-L27 PolarHBondContact O-N 3.09Å; V23-Y43 HydrophobicContact CG1-CD2 3.65Å; V23-Y43 HydrophobicContact CG1-CE2 3.92Å; V23-Y43 HydrophobicContact CG1-CG 4.35Å; V23-I58 HydrophobicContact CG1-CG2 4.17Å; V23-I58 HydrophobicContact CG2-CG2 4.03Å; V23-D60 HydrophobicContact CG1-CB 4.49Å; V23-D60 HydrophobicContact CG2-CB 4.15Å; V23-F161 HydrophobicContact CG2-CE1 4.48Å; V23-F161 HydrophobicContact CG2-CZ 4.02Å
24	V	94.2	Very high	91.6	Very high	15 Å²	15	62.8 Å²	62.8	9%	0.091	30%	0.302	C	S	.	.	H	α-helix	trans	-63.6	-41.2	177.6	170.9	0	0	0	0	111.4	S20 F26 L27 T28 I32 Y35	S20-V24 WeakPolarHBondContact O-CB 3.44Å; S20-V24 VanDerWaalsContact O-CG2 3.3Å; S20-V24 WeakPolarHBondContact O-CG2 3.41Å; S20-V24 PolarHBondContact O-N 2.88Å; V24-F26 VanDerWaalsContact C-N 3.32Å; V24-F26 PolarHBondContact O-N 3.29Å; V24-L27 PolarHBondContact O-N 2.99Å; V24-T28 HydrophobicContact CG1-CG2 4.26Å; V24-T28 WeakPolarHBondContact O-CB 3.39Å; V24-T28 PolarHBondContact O-N 3.46Å; V24-T28 PolarHBondContact O-OG1 2.81Å; V24-I32 HydrophobicContact CG1-CB 4.44Å; V24-I32 HydrophobicContact CG1-CD1 3.79Å; V24-I32 HydrophobicContact CG1-CG1 3.94Å; V24-Y35 HydrophobicContact CG2-CD2 4.28Å; V24-Y35 HydrophobicContact CG2-CE2 3.87Å
25	R	95	Very high	90.4	Very high	39 Å²	39	63.3 Å²	63.3	15%	0.147	30%	0.303	C	S	.	.	H	α-helix	trans	-59.4	-45.6	175.5	175.4	59.2	72.8	161.8	22.7	110.9	A21 L22 V23 R29 R30 A149 C150 D152 V157	A21-R25 WeakPolarHBondContact O-CB 3.28Å; A21-R25 PolarHBondContact O-N 2.63Å; L22-R25 PolarHBondContact O-N 3Å; V23-R25 PolarHBondContact O-N 3.36Å; R25-R29 PolarHBondContact NH1-O 3.46Å; R25-R29 WeakPolarHBondContact O-CA 3.13Å; R25-R29 PolarHBondContact O-N 3.04Å; R25-R30 WeakPolarHBondContact CA-O 3.48Å; R25-A149 VanDerWaalsContact CZ-O 3.24Å; R25-A149 PolarHBondContact NE-O 3.02Å; R25-A149 PolarHBondContact NH2-O 3.31Å; R25-C150 VanDerWaalsContact NH2-C 3.31Å; R25-C150 PolarHBondContact NH2-O 2.9Å; R25-D152 HydrophobicContact CG-CB 4.2Å; R25-V157 HydrophobicContact CB-CG1 4.37Å; R25-V157 HydrophobicContact CG-CB 4.19Å; R25-V157 HydrophobicContact CG-CG1 4.19Å; R25-V157 HydrophobicContact CG-CG2 4.12Å
26	F	95.8	Very high	89.5	Confident	14 Å²	14	65.2 Å²	65.2	6%	0.061	31%	0.309	C	S	.	.	H	α-helix	trans	-60.2	-49.3	176.2	176.3	-120.7	0	0	0	112.1	L22 V23 V24 H45 M56 I58 V157 A158 F161 H162	L22-F26 WeakPolarHBondContact O-CB 3.46Å; L22-F26 PolarHBondContact O-N 3.47Å; V23-F26 WeakPolarHBondContact O-CB 3.42Å; V23-F26 PolarHBondContact O-N 3.1Å; V24-F26 VanDerWaalsContact C-N 3.32Å; V24-F26 PolarHBondContact O-N 3.29Å; F26-H45 AromaticContact CE1-CD2 3.6Å; F26-H45 AromaticContact CZ-CD2 3.76Å; F26-M56 HydrophobicContact CE1-CE 4.13Å; F26-M56 HydrophobicContact CE1-SD 3.91Å; F26-M56 HydrophobicContact CZ-CE 3.83Å; F26-M56 HydrophobicContact CZ-SD 3.81Å; F26-I58 HydrophobicContact CD1-CD1 3.65Å; F26-I58 HydrophobicContact CE1-CD1 3.58Å; F26-V157 HydrophobicContact CB-CG1 4.19Å; F26-A158 HydrophobicContact CD2-CB 4.14Å; F26-A158 HydrophobicContact CE2-CB 4.32Å; F26-F161 HydrophobicContact CB-CD2 4.02Å; F26-F161 HydrophobicContact CB-CE2 4.03Å; F26-F161 HydrophobicContact CB-CG 4.43Å; F26-F161 HydrophobicContact CB-CZ 4.46Å; F26-F161 HydrophobicContact CD1-CB 4.23Å; F26-F161 AromaticContact CD1-CD1 3.82Å; F26-F161 HydrophobicContact CD1-CD1 3.82Å; F26-F161 HydrophobicContact CD1-CD2 4.3Å; F26-F161 HydrophobicContact CD1-CE1 4.23Å; F26-F161 AromaticContact CD1-CG 3.86Å; F26-F161 HydrophobicContact CD1-CG 3.86Å; F26-F161 HydrophobicContact CD2-CB 3.95Å; F26-F161 HydrophobicContact CD2-CD2 4.18Å; F26-F161 HydrophobicContact CD2-CG 4.1Å; F26-F161 HydrophobicContact CE1-CB 4.02Å; F26-F161 HydrophobicContact CE1-CD1 4.01Å; F26-F161 HydrophobicContact CE1-CG 4.09Å; F26-F161 HydrophobicContact CE2-CB 3.71Å; F26-F161 HydrophobicContact CE2-CG 4.3Å; F26-F161 HydrophobicContact CG-CB 4.19Å; F26-F161 HydrophobicContact CG-CD1 4.26Å; F26-F161 AromaticContact CG-CD2 3.9Å; F26-F161 HydrophobicContact CG-CD2 3.9Å; F26-F161 HydrophobicContact CG-CE2 4.33Å; F26-F161 AromaticContact CG-CG 3.86Å; F26-F161 HydrophobicContact CG-CG 3.86Å; F26-F161 HydrophobicContact CZ-CB 3.74Å; F26-F161 HydrophobicContact CZ-CG 4.28Å; F26-H162 AromaticContact CE2-CD2 3.91Å; F26-H162 AromaticContact CE2-NE2 3.71Å
27	L	93.6	Very high	88.5	Confident	38 Å²	38	66.7 Å²	66.7	20%	0.199	31%	0.309	C	S	.	.	H	α-helix	trans	-71.2	-39.6	-173.8	-66.9	174.7	0	0	0	113.6	V23 V24 Y43 H45 I58	V23-L27 HydrophobicContact CG1-CD1 3.7Å; V23-L27 HydrophobicContact CG1-CG 4.3Å; V23-L27 WeakPolarHBondContact O-CB 3.5Å; V23-L27 WeakPolarHBondContact O-CG 3.34Å; V23-L27 PolarHBondContact O-N 3.09Å; V24-L27 PolarHBondContact O-N 2.99Å; L27-Y43 HydrophobicContact CD1-CD1 3.63Å; L27-Y43 HydrophobicContact CD1-CD2 4.09Å; L27-Y43 HydrophobicContact CD1-CE1 4.35Å; L27-Y43 HydrophobicContact CD1-CG 3.48Å; L27-Y43 VanDerWaalsContact CD1-CG 3.48Å; L27-H45 HydrophobicContact CD2-CB 3.43Å; L27-H45 VanDerWaalsContact CD2-CB 3.43Å; L27-I58 HydrophobicContact CD2-CD1 4.18Å
28	T	91.2	Very high	87.3	Confident	64 Å²	64	71 Å²	71	39%	0.393	34%	0.335	S	S	.	.	H	α-helix	trans	-112.6	-11.3	-167.6	71.1	0	0	0	0	113.5	V24 R30	V24-T28 HydrophobicContact CG1-CG2 4.26Å; V24-T28 WeakPolarHBondContact O-CB 3.39Å; V24-T28 PolarHBondContact O-N 3.46Å; V24-T28 PolarHBondContact O-OG1 2.81Å; T28-R30 PolarHBondContact O-N 3.18Å; T28-R30 VanDerWaalsContact O-N 3.13Å; T28-R30 PolarHBondContact OG1-N 3.37Å; T28-R30 VanDerWaalsContact OG1-N 3.13Å; T28-R30 PolarHBondContact OG1-O 3.01Å
29	R	90.1	Very high	86.7	Confident	217 Å²	217	74.4 Å²	74.4	82%	0.819	35%	0.349	S	S	*	.	S	Bend	trans	59.3	10.9	-168.4	-52.8	-176.3	179.7	-172.5	-1.9	114	R25	R25-R29 PolarHBondContact NH1-O 3.46Å; R25-R29 WeakPolarHBondContact O-CA 3.13Å; R25-R29 PolarHBondContact O-N 3.04Å
30	R	86.6	Confident	86.4	Confident	182 Å²	182	78 Å²	78	69%	0.687	37%	0.366	S	S	*	.	S	Bend	trans	-115.1	155.8	179.3	-62.6	178	-177.8	-172.2	-0.5	109.8	R25 T28	R25-R30 WeakPolarHBondContact CA-O 3.48Å; T28-R30 PolarHBondContact O-N 3.18Å; T28-R30 VanDerWaalsContact O-N 3.13Å; T28-R30 PolarHBondContact OG1-N 3.37Å; T28-R30 VanDerWaalsContact OG1-N 3.13Å; T28-R30 PolarHBondContact OG1-O 3.01Å
31	F	84.7	Confident	86.2	Confident	54 Å²	54	79 Å²	79	24%	0.237	37%	0.372	C	S	.	.			trans	-104.5	131.3	166.6	178.4	-109.5	0	0	0	109.2	A21 W33 A149 C150	A21-F31 HydrophobicContact CB-CD2 4.27Å; A21-F31 HydrophobicContact CB-CE2 3.8Å; F31-W33 HydrophobicContact CD1-CD2 4.06Å; F31-W33 AromaticContact CD1-CE2 3.81Å; F31-W33 HydrophobicContact CD1-CG 4.38Å; F31-W33 HydrophobicContact CD1-CZ2 4.09Å; F31-W33 AromaticContact CE1-CD2 3.38Å; F31-W33 HydrophobicContact CE1-CD2 3.38Å; F31-W33 AromaticContact CE1-CE2 3.46Å; F31-W33 VanDerWaalsContact CE1-CE2 3.46Å; F31-W33 AromaticContact CE1-CE3 3.48Å; F31-W33 HydrophobicContact CE1-CE3 3.48Å; F31-W33 VanDerWaalsContact CE1-CE3 3.48Å; F31-W33 AromaticContact CE1-CG 3.98Å; F31-W33 HydrophobicContact CE1-CG 3.98Å; F31-W33 AromaticContact CE1-CH2 3.75Å; F31-W33 HydrophobicContact CE1-CH2 3.75Å; F31-W33 AromaticContact CE1-CZ2 3.66Å; F31-W33 HydrophobicContact CE1-CZ2 3.66Å; F31-W33 AromaticContact CE1-CZ3 3.66Å; F31-W33 HydrophobicContact CE1-CZ3 3.66Å; F31-W33 HydrophobicContact CZ-CD2 4.29Å; F31-W33 HydrophobicContact CZ-CE3 4.04Å; F31-W33 HydrophobicContact CZ-CZ3 4.19Å; F31-A149 HydrophobicContact CD2-CB 4.15Å; F31-A149 WeakPolarHBondContact CD2-O 3.49Å; F31-A149 HydrophobicContact CE2-CB 4.18Å; F31-C150 HydrophobicContact CD1-CB 3.82Å; F31-C150 HydrophobicContact CD2-CB 4.17Å; F31-C150 HydrophobicContact CE1-CB 3.69Å; F31-C150 HydrophobicContact CE2-CB 4.08Å; F31-C150 HydrophobicContact CG-CB 4.05Å; F31-C150 HydrophobicContact CZ-CB 3.85Å
32	I	82.5	Confident	86.2	Confident	90 Å²	90	82 Å²	82	46%	0.462	39%	0.389	S	S	.	.			trans	-116.9	122.4	178.2	-54.8	179.6	0	0	0	106.1	V24	V24-I32 HydrophobicContact CG1-CB 4.44Å; V24-I32 HydrophobicContact CG1-CD1 3.79Å; V24-I32 HydrophobicContact CG1-CG1 3.94Å
33	W	73.4	Confident	86.2	Confident	218 Å²	218	84.7 Å²	84.7	83%	0.826	40%	0.399	S	S	*	.	S	Bend	trans	-71.6	-33	-175.4	-67.8	94.5	0	0	0	112.9	F31	F31-W33 HydrophobicContact CD1-CD2 4.06Å; F31-W33 AromaticContact CD1-CE2 3.81Å; F31-W33 HydrophobicContact CD1-CG 4.38Å; F31-W33 HydrophobicContact CD1-CZ2 4.09Å; F31-W33 AromaticContact CE1-CD2 3.38Å; F31-W33 HydrophobicContact CE1-CD2 3.38Å; F31-W33 AromaticContact CE1-CE2 3.46Å; F31-W33 VanDerWaalsContact CE1-CE2 3.46Å; F31-W33 AromaticContact CE1-CE3 3.48Å; F31-W33 HydrophobicContact CE1-CE3 3.48Å; F31-W33 VanDerWaalsContact CE1-CE3 3.48Å; F31-W33 AromaticContact CE1-CG 3.98Å; F31-W33 HydrophobicContact CE1-CG 3.98Å; F31-W33 AromaticContact CE1-CH2 3.75Å; F31-W33 HydrophobicContact CE1-CH2 3.75Å; F31-W33 AromaticContact CE1-CZ2 3.66Å; F31-W33 HydrophobicContact CE1-CZ2 3.66Å; F31-W33 AromaticContact CE1-CZ3 3.66Å; F31-W33 HydrophobicContact CE1-CZ3 3.66Å; F31-W33 HydrophobicContact CZ-CD2 4.29Å; F31-W33 HydrophobicContact CZ-CE3 4.04Å; F31-W33 HydrophobicContact CZ-CZ3 4.19Å
34	E	76	Confident	86.1	Confident	172 Å²	172	91.6 Å²	91.6	80%	0.804	43%	0.425	S	S	*	.			trans	-93.5	115.1	-179.1	-68.3	178.9	-174.1	0	0	109.9
35	Y	71.8	Confident	86.1	Confident	73 Å²	73	93.1 Å²	93.1	29%	0.286	43%	0.431	S	S	.	.			trans	-140.1	141.3	168.5	-154.5	-88.7	0	0	0	109	S20 V24 P37 Y43 D60	S20-Y35 WeakPolarHBondContact OG-CD1 3.31Å; S20-Y35 WeakPolarHBondContact OG-CE1 3.44Å; V24-Y35 HydrophobicContact CG2-CD2 4.28Å; V24-Y35 HydrophobicContact CG2-CE2 3.87Å; Y35-P37 VanDerWaalsContact O-CD 3.3Å; Y35-P37 WeakPolarHBondContact O-CD 3.38Å; Y35-Y43 PolarHBondContact OH-OH 3.04Å; Y35-D60 PolarHBondContact OH-OD2 3.35Å
36	D	76	Confident	86.1	Confident	71 Å²	71	97 Å²	97	38%	0.38	45%	0.451	S	S	.	.			trans	-78.4	113.1	176.5	-172.2	-32.7	0	0	0	109.1	T38 L39	D36-T38 PolarHBondContact O-N 3.02Å; D36-T38 VanDerWaalsContact O-N 3.1Å; D36-T38 WeakPolarHBondContact OD1-CB 3.5Å; D36-T38 PolarHBondContact OD1-N 3.46Å; D36-T38 PolarHBondContact OD1-OG1 3.33Å; D36-L39 HydrophobicContact CB-CB 4.27Å; D36-L39 HydrophobicContact CB-CD1 3.59Å; D36-L39 HydrophobicContact CB-CG 3.71Å; D36-L39 PolarHBondContact O-N 3.48Å
37	P	72	Confident	85.9	Confident	87 Å²	87	97 Å²	97	57%	0.565	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-7.5	-175.3	30.5	-36.1	0	0	0	113.7	Y35	Y35-P37 VanDerWaalsContact O-CD 3.3Å; Y35-P37 WeakPolarHBondContact O-CD 3.38Å
38	T	73.9	Confident	85.8	Confident	90 Å²	90	98.9 Å²	98.9	55%	0.552	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.3	-9.8	-179.2	69.1	0	0	0	0	113.5	D36	D36-T38 PolarHBondContact O-N 3.02Å; D36-T38 VanDerWaalsContact O-N 3.1Å; D36-T38 WeakPolarHBondContact OD1-CB 3.5Å; D36-T38 PolarHBondContact OD1-N 3.46Å; D36-T38 PolarHBondContact OD1-OG1 3.33Å
39	L	82.4	Confident	85.9	Confident	90 Å²	90	96 Å²	96	47%	0.471	45%	0.452	S	S	.	.			trans	-90.4	113.2	-175.5	-66.4	-178.5	0	0	0	111.6	D36	D36-L39 HydrophobicContact CB-CB 4.27Å; D36-L39 HydrophobicContact CB-CD1 3.59Å; D36-L39 HydrophobicContact CB-CG 3.71Å; D36-L39 PolarHBondContact O-N 3.48Å
40	E	90.9	Very high	85.8	Confident	83 Å²	83	90.2 Å²	90.2	39%	0.388	44%	0.437	S	S	.	.			trans	-73.7	140.5	159.6	176	173.6	110.8	0	0	109.8	L59 D60 H73	E40-L59 HydrophobicContact CG-CD1 3.68Å; E40-D60 WeakPolarHBondContact CA-O 3.3Å; E40-D60 WeakPolarHBondContact CG-O 3.43Å; E40-H73 IonicContact OE1-CE1 3.05Å; E40-H73 PolarHBondContact OE1-CE1 2.96Å; E40-H73 VanDerWaalsContact OE1-CE1 3.27Å; E40-H73 IonicContact OE2-CD2 3.2Å; E40-H73 IonicContact OE2-CE1 2.87Å; E40-H73 PolarHBondContact OE2-CE1 3.39Å; E40-H73 IonicContact OE2-ND1 3.44Å; E40-H73 IonicContact OE2-NE2 3.34Å; E40-H73 PolarHBondContact OE2-NE2 3.04Å; E40-H73 VanDerWaalsContact OE2-NE2 3.08Å
41	S	92.3	Very high	85.9	Confident	36 Å²	36	89.3 Å²	89.3	25%	0.252	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	144.5	178.6	-77	0	0	0	0	112.7	Y43 D60	S41-Y43 VanDerWaalsContact CB-CE2 3.47Å; S41-Y43 VanDerWaalsContact CB-OH 3.29Å; S41-Y43 WeakPolarHBondContact CB-OH 3.48Å; S41-D60 PolarHBondContact N-O 2.94Å; S41-D60 PolarHBondContact O-N 3.32Å
42	T	95.5	Very high	86.1	Confident	85 Å²	85	91.5 Å²	91.5	52%	0.521	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	125.4	172.8	-58.6	0	0	0	0	110.2	I58 W76	T42-I58 CarbonylContact C-O 3.5Å; T42-I58 WeakPolarHBondContact CA-O 3.48Å; T42-W76 HydrophobicContact CG2-CZ2 4.43Å
43	Y	95.2	Very high	86.6	Confident	61 Å²	61	91 Å²	91	24%	0.239	46%	0.458	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	144.1	-179.3	-59.9	-83.5	0	0	0	111.1	V23 L27 Y35 S41 E57 I58 D60	V23-Y43 HydrophobicContact CG1-CD2 3.65Å; V23-Y43 HydrophobicContact CG1-CE2 3.92Å; V23-Y43 HydrophobicContact CG1-CG 4.35Å; L27-Y43 HydrophobicContact CD1-CD1 3.63Å; L27-Y43 HydrophobicContact CD1-CD2 4.09Å; L27-Y43 HydrophobicContact CD1-CE1 4.35Å; L27-Y43 HydrophobicContact CD1-CG 3.48Å; L27-Y43 VanDerWaalsContact CD1-CG 3.48Å; Y35-Y43 PolarHBondContact OH-OH 3.04Å; S41-Y43 VanDerWaalsContact CB-CE2 3.47Å; S41-Y43 VanDerWaalsContact CB-OH 3.29Å; S41-Y43 WeakPolarHBondContact CB-OH 3.48Å; Y43-E57 CarbonylContact O-C 3.55Å; Y43-E57 VanDerWaalsContact O-CA 3.3Å; Y43-E57 WeakPolarHBondContact O-CA 3.47Å; Y43-I58 PolarHBondContact N-O 2.96Å; Y43-I58 PolarHBondContact O-N 3.14Å; Y43-D60 HydrophobicContact CD2-CB 4.48Å; Y43-D60 HydrophobicContact CE2-CB 4.01Å
44	R	95.3	Very high	87.5	Confident	144 Å²	144	80.6 Å²	80.6	54%	0.543	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	125.8	171.6	-165.2	179.3	-173.3	89.3	5	109.4	E6 T55 M56 E57	E6-R44 IonicContact OE1-CZ 3.84Å; E6-R44 IonicContact OE1-NH1 3.11Å; E6-R44 PolarHBondContact OE1-NH1 3.33Å; E6-R44 IonicContact OE1-NH2 3.67Å; E6-R44 PolarHBondContact OE1-NH2 2.99Å; R44-T55 HydrophobicContact CG-CG2 3.95Å; R44-M56 CarbonylContact C-O 3.54Å; R44-M56 WeakPolarHBondContact CA-O 3.31Å; R44-E57 IonicContact NH1-OE1 3.48Å; R44-E57 PolarHBondContact NH1-OE1 2.97Å
45	H	93.9	Very high	88.4	Confident	48 Å²	48	72.6 Å²	72.6	22%	0.222	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	141.6	-178	-171.7	59	0	0	0	111.4	F26 L27 T55 M56	F26-H45 AromaticContact CE1-CD2 3.6Å; F26-H45 AromaticContact CZ-CD2 3.76Å; L27-H45 HydrophobicContact CD2-CB 3.43Å; L27-H45 VanDerWaalsContact CD2-CB 3.43Å; H45-T55 CarbonylContact O-C 3.56Å; H45-T55 WeakPolarHBondContact O-CA 3.32Å; H45-M56 HydrophobicContact CB-CE 4.49Å; H45-M56 PolarHBondContact N-O 3.47Å; H45-M56 PolarHBondContact O-N 3.14Å
46	Q	94.4	Very high	89.6	Confident	119 Å²	119	69.1 Å²	69.1	56%	0.556	37%	0.368	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115	127.1	171.6	-73.3	-172.4	-26.1	0	0	109.3	V54 T55	Q46-V54 WeakPolarHBondContact CA-O 3.3Å; Q46-T55 HydrophobicContact CG-CG2 4.04Å; Q46-T55 WeakPolarHBondContact CG-OG1 3.3Å; Q46-T55 PolarHBondContact NE2-OG1 3.08Å
47	A	91.8	Very high	90.6	Very high	14 Å²	14	67.5 Å²	67.5	12%	0.116	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	151.4	175.4	0	0	0	0	0	110	I49 V54 M56	A47-I49 HydrophobicContact CB-CG1 4.24Å; A47-V54 PolarHBondContact N-O 3.43Å; A47-V54 VanDerWaalsContact N-O 3.14Å; A47-V54 PolarHBondContact O-N 3.26Å; A47-M56 HydrophobicContact CB-CE 3.52Å
48	S	92.3	Very high	91.9	Very high	79 Å²	79	63.3 Å²	63.3	55%	0.552	33%	0.331	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.5	117.1	167.1	-175.2	0	0	0	0	108.2	E52	S48-E52 WeakPolarHBondContact CA-O 3.18Å
49	I	92.1	Very high	93	Very high	3 Å²	3	59.3 Å²	59.3	2%	0.015	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	112	-179.9	-53.4	174.4	0	0	0	107.3	A47 E52 V54 M56 H162 C165 R166 R169	A47-I49 HydrophobicContact CB-CG1 4.24Å; I49-E52 PolarHBondContact N-O 2.78Å; I49-E52 PolarHBondContact O-N 2.77Å; I49-V54 HydrophobicContact CB-CG2 4.28Å; I49-V54 HydrophobicContact CD1-CB 4.24Å; I49-V54 HydrophobicContact CD1-CG2 4.33Å; I49-M56 HydrophobicContact CD1-CE 4.34Å; I49-M56 HydrophobicContact CD1-SD 4.48Å; I49-H162 HydrophobicContact CD1-CB 4.45Å; I49-H162 HydrophobicContact CG2-CB 4.37Å; I49-C165 HydrophobicContact CD1-CB 3.66Å; I49-R166 HydrophobicContact CG2-CG 3.94Å; I49-R169 PolarHBondContact O-NH1 3.19Å; I49-R169 VanDerWaalsContact O-NH1 3.13Å
50	D	89.7	Confident	93.7	Very high	95 Å²	95	55 Å²	55	51%	0.508	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.3	53	-175.9	-43.3	-34.9	0	0	0	111.7	E52 R166	D50-E52 PolarHBondContact O-N 2.75Å; D50-R166 IonicContact OD1-CZ 3.27Å; D50-R166 IonicContact OD1-NE 2.82Å; D50-R166 PolarHBondContact OD1-NE 3.19Å; D50-R166 VanDerWaalsContact OD1-NE 3.11Å; D50-R166 IonicContact OD1-NH2 3.48Å; D50-R166 WeakPolarHBondContact OD2-CD 3.46Å; D50-R166 WeakPolarHBondContact OD2-CG 3.42Å; D50-R166 IonicContact OD2-NE 3.26Å; D50-R166 PolarHBondContact OD2-NE 3.39Å; D50-R166 VanDerWaalsContact OD2-NE 3.08Å
51	D	88.1	Confident	93.9	Very high	163 Å²	163	51 Å²	51	87%	0.872	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.9	5.6	-178.9	-57	-47.9	0	0	0	116.1
52	E	89.2	Confident	93.8	Very high	100 Å²	100	50.1 Å²	50.1	47%	0.467	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	133.1	172.7	-71.3	-169.5	-167	0	0	111.5	S48 I49 D50 V54 R169	S48-E52 WeakPolarHBondContact CA-O 3.18Å; I49-E52 PolarHBondContact N-O 2.78Å; I49-E52 PolarHBondContact O-N 2.77Å; D50-E52 PolarHBondContact O-N 2.75Å; E52-V54 PolarHBondContact O-N 2.77Å; E52-R169 IonicContact OE1-NH2 3.07Å; E52-R169 IonicContact OE2-CZ 3.68Å; E52-R169 IonicContact OE2-NE 2.7Å; E52-R169 IonicContact OE2-NH2 3.86Å; E52-R169 PolarHBondContact OE2-NH2 3.11Å
53	V	91.9	Very high	93.4	Very high	80 Å²	80	46.7 Å²	46.7	49%	0.485	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	112.7	171.8	-179.6	0	0	0	0	109.1
54	V	93.3	Very high	93.2	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	136.8	178.5	-175.6	0	0	0	0	109	V7 Q46 A47 I49 E52 M56	V7-V54 HydrophobicContact CB-CG1 4.49Å; V7-V54 HydrophobicContact CG2-CG1 4.02Å; Q46-V54 WeakPolarHBondContact CA-O 3.3Å; A47-V54 PolarHBondContact N-O 3.43Å; A47-V54 VanDerWaalsContact N-O 3.14Å; A47-V54 PolarHBondContact O-N 3.26Å; I49-V54 HydrophobicContact CB-CG2 4.28Å; I49-V54 HydrophobicContact CD1-CB 4.24Å; I49-V54 HydrophobicContact CD1-CG2 4.33Å; E52-V54 PolarHBondContact O-N 2.77Å; V54-M56 HydrophobicContact CG1-CG 4.49Å
55	T	95.4	Very high	93	Very high	3 Å²	3	44.4 Å²	44.4	2%	0.018	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	122.3	170	-53.8	0	0	0	0	109.5	P5 E6 V7 R44 H45 Q46	P5-T55 PolarHBondContact O-N 2.71Å; E6-T55 WeakPolarHBondContact CA-O 3.43Å; V7-T55 PolarHBondContact N-O 2.92Å; R44-T55 HydrophobicContact CG-CG2 3.95Å; H45-T55 CarbonylContact O-C 3.56Å; H45-T55 WeakPolarHBondContact O-CA 3.32Å; Q46-T55 HydrophobicContact CG-CG2 4.04Å; Q46-T55 WeakPolarHBondContact CG-OG1 3.3Å; Q46-T55 PolarHBondContact NE2-OG1 3.08Å
56	M	96.3	Very high	93	Very high	0 Å²	0	46 Å²	46	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	134.1	177	-67.6	163.6	-83.2	0	0	109.8	V7 L9 F26 R44 H45 A47 I49 V54 I58 C165	V7-M56 CarbonylContact O-C 3.6Å; V7-M56 VanDerWaalsContact O-CA 3.3Å; V7-M56 WeakPolarHBondContact O-CA 3.36Å; L9-M56 HydrophobicContact CD1-CG 4.39Å; L9-M56 HydrophobicContact CD1-SD 4.35Å; F26-M56 HydrophobicContact CE1-CE 4.13Å; F26-M56 HydrophobicContact CE1-SD 3.91Å; F26-M56 HydrophobicContact CZ-CE 3.83Å; F26-M56 HydrophobicContact CZ-SD 3.81Å; R44-M56 CarbonylContact C-O 3.54Å; R44-M56 WeakPolarHBondContact CA-O 3.31Å; H45-M56 HydrophobicContact CB-CE 4.49Å; H45-M56 PolarHBondContact N-O 3.47Å; H45-M56 PolarHBondContact O-N 3.14Å; A47-M56 HydrophobicContact CB-CE 3.52Å; I49-M56 HydrophobicContact CD1-CE 4.34Å; I49-M56 HydrophobicContact CD1-SD 4.48Å; V54-M56 HydrophobicContact CG1-CG 4.49Å; M56-I58 HydrophobicContact CB-CD1 4.38Å; M56-I58 HydrophobicContact CB-CG1 4.07Å; M56-C165 WeakPolarHBondContact CG-SG 3.34Å; M56-C165 PolarHBondContact SD-SG 2.94Å
57	E	97.6	Very high	92.9	Very high	37 Å²	37	45.6 Å²	45.6	17%	0.173	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	119.9	158.8	-69.8	-175.4	175.3	0	0	107.4	E6 V7 K8 L9 Y43 R44 W76	E6-E57 VanDerWaalsContact OE1-OE1 3.14Å; V7-E57 PolarHBondContact O-N 3.3Å; K8-E57 CarbonylContact C-O 3.54Å; K8-E57 WeakPolarHBondContact CA-O 3.45Å; K8-E57 VanDerWaalsContact CE-OE2 3.31Å; K8-E57 WeakPolarHBondContact CE-OE2 3.38Å; K8-E57 HydrophobicContact CG-CB 4.26Å; L9-E57 PolarHBondContact N-O 3.39Å; Y43-E57 CarbonylContact O-C 3.55Å; Y43-E57 VanDerWaalsContact O-CA 3.3Å; Y43-E57 WeakPolarHBondContact O-CA 3.47Å; R44-E57 IonicContact NH1-OE1 3.48Å; R44-E57 PolarHBondContact NH1-OE1 2.97Å; E57-W76 HydrophobicContact CB-CH2 4.07Å; E57-W76 HydrophobicContact CB-CZ2 3.93Å
58	I	98.3	Very high	93.1	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	116.2	-173.6	-53.3	173.9	0	0	0	108	L9 V11 V23 F26 L27 T42 Y43 M56 F161	L9-I58 HydrophobicContact CB-CG1 4.45Å; L9-I58 HydrophobicContact CD1-CG1 4.46Å; L9-I58 CarbonylContact O-C 3.59Å; L9-I58 WeakPolarHBondContact O-CA 3.19Å; V11-I58 HydrophobicContact CG2-CG2 4.13Å; V23-I58 HydrophobicContact CG1-CG2 4.17Å; V23-I58 HydrophobicContact CG2-CG2 4.03Å; F26-I58 HydrophobicContact CD1-CD1 3.65Å; F26-I58 HydrophobicContact CE1-CD1 3.58Å; L27-I58 HydrophobicContact CD2-CD1 4.18Å; T42-I58 CarbonylContact C-O 3.5Å; T42-I58 WeakPolarHBondContact CA-O 3.48Å; Y43-I58 PolarHBondContact N-O 2.96Å; Y43-I58 PolarHBondContact O-N 3.14Å; M56-I58 HydrophobicContact CB-CD1 4.38Å; M56-I58 HydrophobicContact CB-CG1 4.07Å; I58-F161 HydrophobicContact CD1-CD1 4.1Å; I58-F161 HydrophobicContact CD1-CE1 4.08Å; I58-F161 HydrophobicContact CG2-CE1 3.93Å
59	L	97.9	Very high	93.2	Very high	5 Å²	5	53 Å²	53	3%	0.026	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	112.7	171.5	176.4	66.7	0	0	0	109.1	L9 A10 V11 E40 T61 H73 W76	L9-L59 PolarHBondContact O-N 2.97Å; A10-L59 HydrophobicContact CB-CB 4.35Å; A10-L59 HydrophobicContact CB-CD2 4.29Å; V11-L59 PolarHBondContact N-O 3.03Å; E40-L59 HydrophobicContact CG-CD1 3.68Å; L59-T61 HydrophobicContact CD2-CG2 4.17Å; L59-T61 HydrophobicContact CG-CG2 4.06Å; L59-H73 HydrophobicContact CD2-CB 3.6Å; L59-H73 WeakPolarHBondContact CD2-ND1 3.32Å; L59-W76 HydrophobicContact CB-CE3 4.17Å; L59-W76 HydrophobicContact CB-CH2 3.8Å; L59-W76 HydrophobicContact CB-CZ3 3.44Å; L59-W76 VanDerWaalsContact CB-CZ3 3.44Å; L59-W76 HydrophobicContact CD2-CE3 4.12Å; L59-W76 HydrophobicContact CD2-CZ3 4.23Å; L59-W76 HydrophobicContact CG-CZ3 4.48Å
60	D	96.3	Very high	93.4	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	110.8	167.6	-179.4	34.7	0	0	0	108.7	K19 S20 V23 Y35 E40 S41 Y43	K19-D60 WeakPolarHBondContact CB-OD1 3.33Å; S20-D60 WeakPolarHBondContact CA-OD1 3.42Å; S20-D60 VanDerWaalsContact CA-OD2 3.27Å; S20-D60 WeakPolarHBondContact CA-OD2 3.43Å; S20-D60 WeakPolarHBondContact CB-OD2 3.42Å; S20-D60 PolarHBondContact N-OD1 3.28Å; S20-D60 PolarHBondContact OG-OD1 3.08Å; S20-D60 PolarHBondContact OG-OD2 3.36Å; V23-D60 HydrophobicContact CG1-CB 4.49Å; V23-D60 HydrophobicContact CG2-CB 4.15Å; Y35-D60 PolarHBondContact OH-OD2 3.35Å; E40-D60 WeakPolarHBondContact CA-O 3.3Å; E40-D60 WeakPolarHBondContact CG-O 3.43Å; S41-D60 PolarHBondContact N-O 2.94Å; S41-D60 PolarHBondContact O-N 3.32Å; Y43-D60 HydrophobicContact CD2-CB 4.48Å; Y43-D60 HydrophobicContact CE2-CB 4.01Å
61	T	95.8	Very high	93.8	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	27%	0.271	C	S	.	.			trans	-87.5	157.4	179.1	85.6	0	0	0	0	110.3	V11 F12 K19 L59 E65	V11-T61 VanDerWaalsContact O-CG2 3.29Å; V11-T61 WeakPolarHBondContact O-CG2 3.42Å; V11-T61 PolarHBondContact O-OG1 3.44Å; V11-T61 VanDerWaalsContact O-OG1 3.11Å; F12-T61 HydrophobicContact CD1-CG2 4.19Å; F12-T61 HydrophobicContact CE1-CG2 4.06Å; F12-T61 HydrophobicContact CZ-CG2 4.49Å; K19-T61 WeakPolarHBondContact CE-O 3.48Å; L59-T61 HydrophobicContact CD2-CG2 4.17Å; L59-T61 HydrophobicContact CG-CG2 4.06Å; T61-E65 WeakPolarHBondContact CB-OE1 3.46Å; T61-E65 PolarHBondContact OG1-OE1 3.27Å
62	A	90.2	Very high	94.2	Very high	16 Å²	16	47 Å²	47	13%	0.132	24%	0.244	C	C	.	.			trans	-70.1	-33.6	176	0	0	0	0	0	112.4	K19 E65	K19-A62 PolarHBondContact NZ-O 3.12Å; A62-E65 WeakPolarHBondContact CA-OE1 3.18Å; A62-E65 PolarHBondContact N-OE1 3.45Å
63	G	86.9	Confident	94.6	Very high	13 Å²	13	43.6 Å²	43.6	13%	0.134	23%	0.228	C	C	.	.	S	Bend	trans	85.8	19.3	-172.5	0	0	0	0	0	113.9	G13 A15 K19 E65	G13-G63 VanDerWaalsContact O-CA 3.26Å; G13-G63 WeakPolarHBondContact O-CA 3.46Å; A15-G63 PolarHBondContact N-O 2.88Å; K19-G63 VanDerWaalsContact NZ-CA 3.32Å; G63-E65 VanDerWaalsContact CA-OE2 3.27Å; G63-E65 WeakPolarHBondContact CA-OE2 3.33Å; G63-E65 PolarHBondContact N-OE1 3.2Å; G63-E65 PolarHBondContact N-OE2 3.08Å
64	Q	89.9	Confident	94.8	Very high	144 Å²	144	39.9 Å²	39.9	67%	0.673	21%	0.205	S	C	*	.			trans	-129.1	15.5	174.8	-60.7	-171.1	-30.1	0	0	111.8	A15	A15-Q64 HydrophobicContact CB-CG 3.77Å
65	E	91.3	Very high	94.9	Very high	13 Å²	13	46.4 Å²	46.4	6%	0.061	23%	0.23	C	C	.	.			trans	-62.8	146.7	-177.2	-58.6	74.7	-152.2	0	0	110.8	T61 A62 G63 Q69 K70	T61-E65 WeakPolarHBondContact CB-OE1 3.46Å; T61-E65 PolarHBondContact OG1-OE1 3.27Å; A62-E65 WeakPolarHBondContact CA-OE1 3.18Å; A62-E65 PolarHBondContact N-OE1 3.45Å; G63-E65 VanDerWaalsContact CA-OE2 3.27Å; G63-E65 WeakPolarHBondContact CA-OE2 3.33Å; G63-E65 PolarHBondContact N-OE1 3.2Å; G63-E65 PolarHBondContact N-OE2 3.08Å; E65-Q69 HydrophobicContact CB-CB 3.84Å; E65-Q69 HydrophobicContact CG-CB 4.34Å; E65-K70 HydrophobicContact CB-CG 3.73Å; E65-K70 PolarHBondContact O-NZ 3.46Å
66	D	93.7	Very high	94.9	Very high	82 Å²	82	49.7 Å²	49.7	44%	0.439	24%	0.242	S	C	.	.			trans	-70.5	171.1	165.4	71.9	38.7	0	0	0	111.3	Q68 Q69 K70	D66-Q68 VanDerWaalsContact C-N 3.28Å; D66-Q68 PolarHBondContact O-N 3.08Å; D66-Q68 WeakPolarHBondContact OD1-CA 3.39Å; D66-Q68 WeakPolarHBondContact OD1-CB 3.32Å; D66-Q68 PolarHBondContact OD1-N 3.42Å; D66-Q69 PolarHBondContact O-N 3.3Å; D66-Q69 WeakPolarHBondContact OD1-CG 3.5Å; D66-Q69 PolarHBondContact OD1-N 2.87Å; D66-K70 WeakPolarHBondContact O-CG 3.39Å; D66-K70 PolarHBondContact O-N 3.46Å
67	I	93.6	Very high	94.9	Very high	111 Å²	111	49.7 Å²	49.7	57%	0.569	24%	0.242	S	C	*	.	H	α-helix	trans	-60.5	-39.5	-178.1	-65.3	170.2	0	0	0	111.2	K70 E71	I67-K70 PolarHBondContact O-N 3.28Å; I67-E71 HydrophobicContact CG2-CG 4.34Å; I67-E71 WeakPolarHBondContact O-CG 3.41Å; I67-E71 PolarHBondContact O-N 3.06Å
68	Q	95.6	Very high	94.8	Very high	153 Å²	153	50.3 Å²	50.3	72%	0.715	25%	0.246	S	C	*	.	H	α-helix	trans	-67.6	-41	-176.2	-63.1	-176.8	-4.6	0	0	111.7	D66 G72	D66-Q68 VanDerWaalsContact C-N 3.28Å; D66-Q68 PolarHBondContact O-N 3.08Å; D66-Q68 WeakPolarHBondContact OD1-CA 3.39Å; D66-Q68 WeakPolarHBondContact OD1-CB 3.32Å; D66-Q68 PolarHBondContact OD1-N 3.42Å; Q68-G72 PolarHBondContact O-N 3.34Å
69	Q	95.4	Very high	94.7	Very high	96 Å²	96	50.3 Å²	50.3	45%	0.449	25%	0.246	S	C	.	.	H	α-helix	trans	-61	-52.9	172.8	-72	178	-46.4	0	0	110.5	E65 D66 E71 G72 H73	E65-Q69 HydrophobicContact CB-CB 3.84Å; E65-Q69 HydrophobicContact CG-CB 4.34Å; D66-Q69 PolarHBondContact O-N 3.3Å; D66-Q69 WeakPolarHBondContact OD1-CG 3.5Å; D66-Q69 PolarHBondContact OD1-N 2.87Å; Q69-E71 VanDerWaalsContact C-N 3.31Å; Q69-E71 PolarHBondContact O-N 3.38Å; Q69-G72 WeakPolarHBondContact O-CA 3.43Å; Q69-G72 PolarHBondContact O-N 3.42Å; Q69-H73 PolarHBondContact O-CD2 3.37Å; Q69-H73 VanDerWaalsContact O-CG 3.32Å; Q69-H73 PolarHBondContact O-N 3.46Å; Q69-H73 PolarHBondContact O-NE2 3.35Å
70	K	96.1	Very high	94.8	Very high	47 Å²	47	50 Å²	50	20%	0.204	25%	0.245	C	C	.	.	H	α-helix	trans	-51.7	-49.5	176.9	-71.5	-174.7	176.9	105	0	111.8	F12 E65 D66 I67 G72 H73 M74 L98 L101	F12-K70 HydrophobicContact CE1-CB 4.37Å; F12-K70 HydrophobicContact CE1-CG 4.27Å; E65-K70 HydrophobicContact CB-CG 3.73Å; E65-K70 PolarHBondContact O-NZ 3.46Å; D66-K70 WeakPolarHBondContact O-CG 3.39Å; D66-K70 PolarHBondContact O-N 3.46Å; I67-K70 PolarHBondContact O-N 3.28Å; K70-G72 VanDerWaalsContact C-N 3.31Å; K70-G72 PolarHBondContact O-N 3.1Å; K70-H73 PolarHBondContact O-N 3.28Å; K70-M74 WeakPolarHBondContact O-CB 3.34Å; K70-M74 VanDerWaalsContact O-CG 3.22Å; K70-M74 WeakPolarHBondContact O-CG 3.36Å; K70-M74 PolarHBondContact O-N 3.45Å; K70-L98 HydrophobicContact CD-CD2 4.14Å; K70-L101 HydrophobicContact CB-CD2 4.07Å; K70-L101 HydrophobicContact CD-CD2 4.36Å
71	E	96.4	Very high	94.9	Very high	57 Å²	57	50.1 Å²	50.1	27%	0.266	25%	0.246	S	C	.	.	H	α-helix	trans	-62.9	-36.9	177.7	-69.1	-174.1	179.1	0	0	113	I67 Q69 M74 R75 L101 V105	I67-E71 HydrophobicContact CG2-CG 4.34Å; I67-E71 WeakPolarHBondContact O-CG 3.41Å; I67-E71 PolarHBondContact O-N 3.06Å; Q69-E71 VanDerWaalsContact C-N 3.31Å; Q69-E71 PolarHBondContact O-N 3.38Å; E71-M74 PolarHBondContact O-N 3Å; E71-R75 VanDerWaalsContact CB-NH2 3.34Å; E71-R75 WeakPolarHBondContact O-CG 3.36Å; E71-R75 PolarHBondContact O-N 2.95Å; E71-R75 PolarHBondContact O-NE 2.98Å; E71-R75 IonicContact OE2-CZ 3.05Å; E71-R75 IonicContact OE2-NH1 2.73Å; E71-R75 PolarHBondContact OE2-NH1 2.99Å; E71-R75 IonicContact OE2-NH2 2.66Å; E71-R75 PolarHBondContact OE2-NH2 3.39Å; E71-L101 HydrophobicContact CG-CD1 4.06Å; E71-V105 HydrophobicContact CB-CG2 3.98Å; E71-V105 HydrophobicContact CG-CG2 3.67Å
72	G	96.9	Very high	95	Very high	30 Å²	30	50.3 Å²	50.3	31%	0.309	25%	0.246	S	C	.	.	H	α-helix	trans	-59.9	-49.2	175.1	0	0	0	0	0	111.8	Q68 Q69 K70 M74 R75 W76	Q68-G72 PolarHBondContact O-N 3.34Å; Q69-G72 WeakPolarHBondContact O-CA 3.43Å; Q69-G72 PolarHBondContact O-N 3.42Å; K70-G72 VanDerWaalsContact C-N 3.31Å; K70-G72 PolarHBondContact O-N 3.1Å; G72-M74 VanDerWaalsContact C-N 3.34Å; G72-R75 PolarHBondContact O-N 3.34Å; G72-W76 PolarHBondContact O-N 2.96Å
73	H	97	Very high	95.4	Very high	28 Å²	28	49.6 Å²	49.6	13%	0.13	24%	0.24	C	C	.	.	H	α-helix	trans	-63.4	-40.3	175.4	-56.8	-45.2	0	0	0	111.8	F12 E40 L59 Q69 K70 W76 G77	F12-H73 HydrophobicContact CE1-CB 4.29Å; F12-H73 HydrophobicContact CZ-CB 3.67Å; E40-H73 IonicContact OE1-CE1 3.05Å; E40-H73 PolarHBondContact OE1-CE1 2.96Å; E40-H73 VanDerWaalsContact OE1-CE1 3.27Å; E40-H73 IonicContact OE2-CD2 3.2Å; E40-H73 IonicContact OE2-CE1 2.87Å; E40-H73 PolarHBondContact OE2-CE1 3.39Å; E40-H73 IonicContact OE2-ND1 3.44Å; E40-H73 IonicContact OE2-NE2 3.34Å; E40-H73 PolarHBondContact OE2-NE2 3.04Å; E40-H73 VanDerWaalsContact OE2-NE2 3.08Å; L59-H73 HydrophobicContact CD2-CB 3.6Å; L59-H73 WeakPolarHBondContact CD2-ND1 3.32Å; Q69-H73 PolarHBondContact O-CD2 3.37Å; Q69-H73 VanDerWaalsContact O-CG 3.32Å; Q69-H73 PolarHBondContact O-N 3.46Å; Q69-H73 PolarHBondContact O-NE2 3.35Å; K70-H73 PolarHBondContact O-N 3.28Å; H73-W76 PolarHBondContact O-N 3.27Å; H73-G77 PolarHBondContact O-N 2.87Å
74	M	96.6	Very high	96	Very high	3 Å²	3	49 Å²	49	2%	0.015	23%	0.234	C	C	.	.	H	α-helix	trans	-59.9	-48.5	172.9	-72.1	175.2	-178.8	0	0	110.7	F12 K70 E71 G72 W76 G77 F80 L98 L101 L102 V105 K106	F12-M74 HydrophobicContact CE2-CG 4Å; F12-M74 HydrophobicContact CZ-CE 4.37Å; F12-M74 HydrophobicContact CZ-CG 3.83Å; K70-M74 WeakPolarHBondContact O-CB 3.34Å; K70-M74 VanDerWaalsContact O-CG 3.22Å; K70-M74 WeakPolarHBondContact O-CG 3.36Å; K70-M74 PolarHBondContact O-N 3.45Å; E71-M74 PolarHBondContact O-N 3Å; G72-M74 VanDerWaalsContact C-N 3.34Å; M74-W76 VanDerWaalsContact C-N 3.25Å; M74-W76 PolarHBondContact O-N 3Å; M74-G77 PolarHBondContact O-N 2.97Å; M74-F80 HydrophobicContact CB-CE1 4.4Å; M74-F80 HydrophobicContact CG-CE1 4.31Å; M74-F80 VanDerWaalsContact O-CZ 3.32Å; M74-F80 WeakPolarHBondContact O-CZ 3.37Å; M74-L98 HydrophobicContact CE-CD2 4.45Å; M74-L101 HydrophobicContact CE-CB 4.16Å; M74-L101 HydrophobicContact CE-CD2 3.88Å; M74-L101 HydrophobicContact CE-CG 3.99Å; M74-L101 HydrophobicContact SD-CB 4.36Å; M74-L101 HydrophobicContact SD-CD2 4.11Å; M74-L101 HydrophobicContact SD-CG 3.8Å; M74-L102 HydrophobicContact CB-CD1 4.12Å; M74-L102 HydrophobicContact CE-CB 4.19Å; M74-L102 HydrophobicContact CG-CD1 3.81Å; M74-L102 HydrophobicContact SD-CB 4.15Å; M74-L102 HydrophobicContact SD-CD1 4.13Å; M74-V105 HydrophobicContact CB-CB 4.21Å; M74-V105 HydrophobicContact CB-CG1 3.78Å; M74-V105 HydrophobicContact CB-CG2 4.48Å; M74-V105 HydrophobicContact SD-CB 4.47Å; M74-V105 HydrophobicContact SD-CG2 4.17Å; M74-K106 WeakPolarHBondContact O-CE 3.4Å; M74-K106 PolarHBondContact O-NZ 2.89Å
75	R	95.6	Very high	96.4	Very high	137 Å²	137	42.6 Å²	42.6	52%	0.517	21%	0.205	S	C	.	.	H	α-helix	trans	-56.6	-40.2	175.6	-75.7	179.8	-77.3	-95.3	0.5	112	E71 G72 V105 K106	E71-R75 VanDerWaalsContact CB-NH2 3.34Å; E71-R75 WeakPolarHBondContact O-CG 3.36Å; E71-R75 PolarHBondContact O-N 2.95Å; E71-R75 PolarHBondContact O-NE 2.98Å; E71-R75 IonicContact OE2-CZ 3.05Å; E71-R75 IonicContact OE2-NH1 2.73Å; E71-R75 PolarHBondContact OE2-NH1 2.99Å; E71-R75 IonicContact OE2-NH2 2.66Å; E71-R75 PolarHBondContact OE2-NH2 3.39Å; G72-R75 PolarHBondContact O-N 3.34Å; R75-V105 HydrophobicContact CG-CG1 3.53Å; R75-K106 PolarHBondContact O-NZ 3.38Å
76	W	95.4	Very high	96.8	Very high	71 Å²	71	42 Å²	42	27%	0.269	20%	0.202	S	C	.	.	H	α-helix	trans	-68.1	-41.7	179.5	174.1	95.7	0	0	0	114.3	K8 L9 A10 T42 E57 L59 G72 H73 M74	K8-W76 HydrophobicContact CB-CD2 4.37Å; K8-W76 HydrophobicContact CB-CE3 4.24Å; K8-W76 HydrophobicContact CB-CH2 3.83Å; K8-W76 HydrophobicContact CB-CZ2 3.98Å; K8-W76 HydrophobicContact CB-CZ3 3.96Å; K8-W76 HydrophobicContact CD-CD2 4.11Å; K8-W76 HydrophobicContact CD-CG 4.44Å; K8-W76 HydrophobicContact CD-CZ2 3.93Å; K8-W76 WeakPolarHBondContact CD-O 3.44Å; K8-W76 HydrophobicContact CG-CH2 4.16Å; K8-W76 HydrophobicContact CG-CZ2 3.83Å; L9-W76 WeakPolarHBondContact O-CZ3 3.39Å; A10-W76 HydrophobicContact CB-CZ3 4.38Å; T42-W76 HydrophobicContact CG2-CZ2 4.43Å; E57-W76 HydrophobicContact CB-CH2 4.07Å; E57-W76 HydrophobicContact CB-CZ2 3.93Å; L59-W76 HydrophobicContact CB-CE3 4.17Å; L59-W76 HydrophobicContact CB-CH2 3.8Å; L59-W76 HydrophobicContact CB-CZ3 3.44Å; L59-W76 VanDerWaalsContact CB-CZ3 3.44Å; L59-W76 HydrophobicContact CD2-CE3 4.12Å; L59-W76 HydrophobicContact CD2-CZ3 4.23Å; L59-W76 HydrophobicContact CG-CZ3 4.48Å; G72-W76 PolarHBondContact O-N 2.96Å; H73-W76 PolarHBondContact O-N 3.27Å; M74-W76 VanDerWaalsContact C-N 3.25Å; M74-W76 PolarHBondContact O-N 3Å
77	G	96.2	Very high	97	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	19%	0.188	C	C	.	.			trans	-72.9	143.2	-173.1	0	0	0	0	0	114.4	H73 M74 F80 K106	H73-G77 PolarHBondContact O-N 2.87Å; M74-G77 PolarHBondContact O-N 2.97Å; G77-F80 WeakPolarHBondContact O-CZ 3.33Å; G77-K106 VanDerWaalsContact O-CE 3.3Å; G77-K106 WeakPolarHBondContact O-CE 3.32Å; G77-K106 PolarHBondContact O-NZ 3.08Å
78	D	95.6	Very high	97.2	Very high	50 Å²	50	36 Å²	36	27%	0.267	17%	0.172	S	C	.	.	S	Bend	trans	-88.1	-29.9	169.2	-65.7	-58.4	0	0	0	112.4	K8 P112 V168 K172	K8-D78 HydrophobicContact CB-CB 4.46Å; K8-D78 PolarHBondContact N-OD2 2.75Å; K8-D78 WeakPolarHBondContact O-CA 3.35Å; K8-D78 WeakPolarHBondContact O-CB 3.45Å; K8-D78 PolarHBondContact O-N 3.26Å; D78-P112 WeakPolarHBondContact O-CD 3.4Å; D78-V168 HydrophobicContact CB-CG1 3.68Å; D78-V168 HydrophobicContact CB-CG2 4.29Å; D78-K172 WeakPolarHBondContact OD1-CE 3.46Å; D78-K172 IonicContact OD1-NZ 3.97Å; D78-K172 PolarHBondContact OD1-NZ 2.66Å; D78-K172 IonicContact OD2-NZ 3.54Å; D78-K172 PolarHBondContact OD2-NZ 3.16Å
79	G	97.3	Very high	97.4	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	157.5	178.4	0	0	0	0	0	111.6	K8 L9 A10 P112	K8-G79 PolarHBondContact O-N 2.96Å; K8-G79 VanDerWaalsContact O-N 3.1Å; L9-G79 WeakPolarHBondContact CA-O 3.45Å; A10-G79 PolarHBondContact N-O 3.3Å; G79-P112 WeakPolarHBondContact CA-O 3.14Å
80	F	98.3	Very high	97.5	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	139.4	-169	-58.7	-84.7	0	0	0	111.4	A10 F12 M74 G77 L102 V111 P112 L113 V114 L164	A10-F80 HydrophobicContact CB-CD1 3.92Å; A10-F80 HydrophobicContact CB-CE1 3.92Å; A10-F80 WeakPolarHBondContact O-CA 3.42Å; F12-F80 HydrophobicContact CD2-CD1 4.01Å; F12-F80 AromaticContact CE2-CD1 3.68Å; F12-F80 HydrophobicContact CE2-CD1 3.68Å; F12-F80 AromaticContact CE2-CE1 3.97Å; F12-F80 HydrophobicContact CE2-CE1 3.97Å; M74-F80 HydrophobicContact CB-CE1 4.4Å; M74-F80 HydrophobicContact CG-CE1 4.31Å; M74-F80 VanDerWaalsContact O-CZ 3.32Å; M74-F80 WeakPolarHBondContact O-CZ 3.37Å; G77-F80 WeakPolarHBondContact O-CZ 3.33Å; F80-L102 HydrophobicContact CB-CD2 4.08Å; F80-L102 HydrophobicContact CD1-CD1 3.92Å; F80-L102 HydrophobicContact CD2-CD1 3.69Å; F80-L102 HydrophobicContact CD2-CD2 3.78Å; F80-L102 HydrophobicContact CD2-CG 4.35Å; F80-L102 HydrophobicContact CE1-CD1 3.84Å; F80-L102 HydrophobicContact CE2-CD1 3.63Å; F80-L102 HydrophobicContact CG-CD1 3.85Å; F80-L102 HydrophobicContact CG-CD2 3.82Å; F80-L102 HydrophobicContact CZ-CD1 3.69Å; F80-V111 HydrophobicContact CD2-CG1 3.31Å; F80-V111 HydrophobicContact CE2-CG1 3.27Å; F80-P112 PolarHBondContact N-O 3.34Å; F80-L113 HydrophobicContact CB-CD1 3.91Å; F80-L113 CarbonylContact O-C 3.57Å; F80-L113 VanDerWaalsContact O-CA 3.29Å; F80-L113 WeakPolarHBondContact O-CA 3.41Å; F80-V114 PolarHBondContact O-N 2.82Å; F80-L164 WeakPolarHBondContact O-CD2 3.14Å
81	I	98.8	Very high	97.7	Very high	2 Å²	2	26.9 Å²	26.9	1%	0.01	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	126.7	164.1	-59.5	174.6	0	0	0	106.2	A10 V11 F12 V83 V114 V116 F161 L164	A10-I81 PolarHBondContact O-N 3.42Å; V11-I81 WeakPolarHBondContact CA-O 3.45Å; V11-I81 HydrophobicContact CG1-CB 4.38Å; V11-I81 HydrophobicContact CG1-CG2 4.47Å; V11-I81 HydrophobicContact CG2-CB 4.4Å; V11-I81 HydrophobicContact CG2-CD1 4.39Å; F12-I81 PolarHBondContact N-O 2.75Å; I81-V83 HydrophobicContact CG2-CG2 3.76Å; I81-V114 WeakPolarHBondContact CA-O 3.44Å; I81-V116 HydrophobicContact CG2-CB 4.25Å; I81-V116 HydrophobicContact CG2-CG2 3.67Å; I81-F161 HydrophobicContact CD1-CD1 3.66Å; I81-F161 HydrophobicContact CD1-CD2 3.97Å; I81-F161 HydrophobicContact CD1-CE1 3.52Å; I81-F161 HydrophobicContact CD1-CE2 3.85Å; I81-F161 HydrophobicContact CD1-CG 3.89Å; I81-F161 HydrophobicContact CD1-CZ 3.63Å; I81-L164 HydrophobicContact CD1-CD2 4.13Å; I81-L164 HydrophobicContact CG1-CD2 3.44Å; I81-L164 VanDerWaalsContact CG1-CD2 3.44Å
82	I	98.6	Very high	97.8	Very high	3 Å²	3	24.9 Å²	24.9	2%	0.015	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	122.8	167.9	-62.2	171.8	0	0	0	107.5	F12 V95 L98 L113 V114 L115 V116	F12-I82 HydrophobicContact CB-CG1 4.42Å; F12-I82 WeakPolarHBondContact O-CA 3.29Å; I82-V95 HydrophobicContact CG2-CB 4.24Å; I82-V95 HydrophobicContact CG2-CG1 3.99Å; I82-V95 HydrophobicContact CG2-CG2 3.9Å; I82-L98 HydrophobicContact CD1-CB 4.04Å; I82-L98 HydrophobicContact CG2-CD1 4.08Å; I82-L113 HydrophobicContact CB-CD1 4.33Å; I82-L113 HydrophobicContact CD1-CD1 3.71Å; I82-L113 HydrophobicContact CD1-CD2 4.35Å; I82-L113 HydrophobicContact CG1-CD1 3.7Å; I82-V114 PolarHBondContact N-O 2.8Å; I82-L115 HydrophobicContact CB-CD1 4.48Å; I82-L115 HydrophobicContact CG2-CD1 4.49Å; I82-V116 PolarHBondContact O-N 3.1Å
83	V	98.8	Very high	97.8	Very high	1 Å²	1	29.2 Å²	29.2	1%	0.006	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	132.6	-176.5	-171.3	0	0	0	0	109.3	V11 F12 G13 V17 K19 L22 I81 V116 N118	V11-V83 HydrophobicContact CG1-CG2 3.71Å; F12-V83 PolarHBondContact O-N 3.13Å; G13-V83 WeakPolarHBondContact CA-O 3.19Å; V17-V83 HydrophobicContact CB-CG1 4.24Å; V17-V83 HydrophobicContact CG2-CB 3.89Å; V17-V83 HydrophobicContact CG2-CG1 3.77Å; K19-V83 HydrophobicContact CG-CB 4.31Å; K19-V83 HydrophobicContact CG-CG2 4.34Å; L22-V83 HydrophobicContact CD1-CB 4.44Å; L22-V83 HydrophobicContact CD1-CG1 3.65Å; L22-V83 HydrophobicContact CD1-CG2 3.85Å; I81-V83 HydrophobicContact CG2-CG2 3.76Å; V83-V116 WeakPolarHBondContact CA-O 3.27Å; V83-V116 HydrophobicContact CG1-CG1 4.45Å; V83-V116 HydrophobicContact CG2-CB 4.38Å; V83-N118 HydrophobicContact CG1-CB 3.84Å
84	Y	98.9	Very high	97.9	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	165.8	163.3	72.6	-87	0	0	0	110.1	I86 F92 V95 L115 V116 G117 N118 V128 F144	Y84-I86 HydrophobicContact CE2-CG2 3.95Å; Y84-F92 AromaticContact CD1-CD2 3.9Å; Y84-F92 HydrophobicContact CD1-CD2 3.9Å; Y84-F92 HydrophobicContact CD2-CB 3.94Å; Y84-F92 AromaticContact CD2-CD2 3.81Å; Y84-F92 HydrophobicContact CD2-CD2 3.81Å; Y84-F92 HydrophobicContact CD2-CG 4.34Å; Y84-F92 AromaticContact CE1-CD2 3.83Å; Y84-F92 HydrophobicContact CE1-CD2 3.83Å; Y84-F92 HydrophobicContact CE1-CE2 4.14Å; Y84-F92 AromaticContact CE2-CD2 3.76Å; Y84-F92 HydrophobicContact CE2-CD2 3.76Å; Y84-F92 HydrophobicContact CE2-CE2 4.47Å; Y84-F92 HydrophobicContact CG-CB 4.21Å; Y84-F92 AromaticContact CG-CD2 3.88Å; Y84-F92 HydrophobicContact CG-CD2 3.88Å; Y84-F92 AromaticContact CZ-CD2 3.77Å; Y84-V95 HydrophobicContact CD1-CG2 4.31Å; Y84-L115 HydrophobicContact CD1-CD1 3.86Å; Y84-L115 HydrophobicContact CD1-CG 4.37Å; Y84-L115 HydrophobicContact CE1-CD1 4.05Å; Y84-L115 HydrophobicContact CE1-CD2 4.24Å; Y84-L115 HydrophobicContact CE1-CG 4.05Å; Y84-V116 WeakPolarHBondContact CD1-O 3.43Å; Y84-V116 PolarHBondContact N-O 2.78Å; Y84-G117 VanDerWaalsContact CE1-CA 3.47Å; Y84-G117 VanDerWaalsContact CZ-CA 3.44Å; Y84-N118 PolarHBondContact O-N 2.75Å; Y84-V128 HydrophobicContact CE2-CB 4.06Å; Y84-V128 HydrophobicContact CE2-CG1 3.81Å; Y84-V128 HydrophobicContact CE2-CG2 4.39Å; Y84-F144 AromaticContact CE1-CE2 3.99Å; Y84-F144 HydrophobicContact CE1-CE2 3.99Å; Y84-F144 WeakPolarHBondContact OH-CE2 2.81Å; Y84-F144 WeakPolarHBondContact OH-CZ 3.12Å
85	D	98.6	Very high	97.9	Very high	10 Å²	10	31.6 Å²	31.6	5%	0.053	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	124.1	174.6	175.4	-7.5	0	0	0	108.6	V17 T87 D88 S91 K119	V17-D85 HydrophobicContact CB-CB 4.21Å; V17-D85 HydrophobicContact CG1-CB 4.11Å; D85-T87 PolarHBondContact O-N 2.93Å; D85-T87 WeakPolarHBondContact OD1-CA 3.47Å; D85-T87 WeakPolarHBondContact OD1-CB 3.39Å; D85-T87 PolarHBondContact OD1-N 2.93Å; D85-T87 PolarHBondContact OD1-OG1 2.86Å; D85-T87 PolarHBondContact OD2-OG1 3.31Å; D85-D88 HydrophobicContact CB-CB 4.16Å; D85-D88 PolarHBondContact O-N 3.34Å; D85-S91 PolarHBondContact N-OG 3.13Å; D85-S91 PolarHBondContact O-OG 2.72Å; D85-K119 WeakPolarHBondContact OD2-CD 3.24Å; D85-K119 WeakPolarHBondContact OD2-CE 3.37Å; D85-K119 IonicContact OD2-NZ 3.8Å; D85-K119 PolarHBondContact OD2-NZ 2.98Å
86	I	98.8	Very high	98	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-17.1	-178.8	66.2	155.8	0	0	0	113.1	Y84 N118 K119 R126 Q127 V128	Y84-I86 HydrophobicContact CE2-CG2 3.95Å; I86-N118 PolarHBondContact N-O 2.99Å; I86-K119 WeakPolarHBondContact CD1-O 3.47Å; I86-K119 WeakPolarHBondContact CG1-O 3.38Å; I86-R126 HydrophobicContact CD1-CB 4.34Å; I86-R126 HydrophobicContact CD1-CG 4.31Å; I86-Q127 PolarHBondContact O-N 3.26Å; I86-V128 PolarHBondContact O-N 2.91Å
87	T	98.8	Very high	98.1	Very high	24 Å²	24	27.8 Å²	27.8	15%	0.147	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.3	-2	179	74.8	0	0	0	0	113.4	D85 L122 V125 Q127	D85-T87 PolarHBondContact O-N 2.93Å; D85-T87 WeakPolarHBondContact OD1-CA 3.47Å; D85-T87 WeakPolarHBondContact OD1-CB 3.39Å; D85-T87 PolarHBondContact OD1-N 2.93Å; D85-T87 PolarHBondContact OD1-OG1 2.86Å; D85-T87 PolarHBondContact OD2-OG1 3.31Å; T87-L122 HydrophobicContact CG2-CB 3.58Å; T87-L122 HydrophobicContact CG2-CD1 4.06Å; T87-L122 HydrophobicContact CG2-CG 4.48Å; T87-V125 HydrophobicContact CG2-CG2 3.81Å; T87-Q127 WeakPolarHBondContact O-CG 3.46Å; T87-Q127 PolarHBondContact O-NE2 2.97Å; T87-Q127 PolarHBondContact O-OE1 3.28Å
88	D	98.6	Very high	98.1	Very high	45 Å²	45	28.5 Å²	28.5	24%	0.241	16%	0.157	C	C	.	.			trans	-127.7	98.6	176.9	176.4	7.5	0	0	0	110.4	K14 D85 G90 S91	K14-D88 IonicContact NZ-OD1 3.55Å; K14-D88 IonicContact NZ-OD2 2.76Å; K14-D88 PolarHBondContact NZ-OD2 2.79Å; D85-D88 HydrophobicContact CB-CB 4.16Å; D85-D88 PolarHBondContact O-N 3.34Å; D88-G90 PolarHBondContact O-N 2.86Å; D88-G90 WeakPolarHBondContact OD1-CA 3.38Å; D88-G90 PolarHBondContact OD1-N 3.27Å; D88-S91 WeakPolarHBondContact O-CB 3.28Å; D88-S91 PolarHBondContact O-N 3.07Å; D88-S91 PolarHBondContact O-OG 2.71Å; D88-S91 PolarHBondContact OD1-N 2.88Å
89	R	98.6	Very high	98.1	Very high	79 Å²	79	27.5 Å²	27.5	30%	0.298	15%	0.149	S	C	.	.	H	α-helix	trans	-55.3	-36.4	177.5	-178.4	65.3	-173.2	-149.4	22.1	113	S91 F92 E93 Q127 E132	R89-S91 VanDerWaalsContact C-N 3.27Å; R89-S91 PolarHBondContact O-N 2.66Å; R89-F92 WeakPolarHBondContact O-CB 3.38Å; R89-F92 PolarHBondContact O-N 2.73Å; R89-F92 VanDerWaalsContact O-N 3.13Å; R89-E93 IonicContact NE-OE1 3.48Å; R89-E93 PolarHBondContact NE-OE1 3.26Å; R89-E93 PolarHBondContact O-N 3.43Å; R89-E93 VanDerWaalsContact O-N 3.11Å; R89-Q127 HydrophobicContact CB-CB 4.4Å; R89-Q127 VanDerWaalsContact N-OE1 3.14Å; R89-E132 IonicContact CZ-OE1 3.78Å; R89-E132 IonicContact CZ-OE2 3.39Å; R89-E132 VanDerWaalsContact NH1-CD 3.26Å; R89-E132 IonicContact NH1-OE1 2.75Å; R89-E132 PolarHBondContact NH1-OE1 3.2Å; R89-E132 IonicContact NH1-OE2 3.1Å; R89-E132 PolarHBondContact NH1-OE2 2.91Å; R89-E132 VanDerWaalsContact NH1-OE2 3.1Å; R89-E132 IonicContact NH2-OE1 3.94Å; R89-E132 IonicContact NH2-OE2 2.83Å; R89-E132 PolarHBondContact NH2-OE2 3.03Å
90	G	98.5	Very high	98	Very high	23 Å²	23	31 Å²	31	24%	0.237	17%	0.171	C	C	.	.	H	α-helix	trans	-65	-32.7	179.8	0	0	0	0	0	112.3	D88 F92 E93 E94	D88-G90 PolarHBondContact O-N 2.86Å; D88-G90 WeakPolarHBondContact OD1-CA 3.38Å; D88-G90 PolarHBondContact OD1-N 3.27Å; G90-F92 VanDerWaalsContact C-N 3.31Å; G90-F92 PolarHBondContact O-N 3.21Å; G90-E93 PolarHBondContact O-N 3.41Å; G90-E94 PolarHBondContact O-N 3.05Å
91	S	98.6	Very high	97.8	Very high	2 Å²	2	32.2 Å²	32.2	1%	0.014	18%	0.177	C	C	.	.	H	α-helix	trans	-66.5	-32.5	174.6	77.8	0	0	0	0	113.1	D85 D88 R89	D85-S91 PolarHBondContact N-OG 3.13Å; D85-S91 PolarHBondContact O-OG 2.72Å; D88-S91 WeakPolarHBondContact O-CB 3.28Å; D88-S91 PolarHBondContact O-N 3.07Å; D88-S91 PolarHBondContact O-OG 2.71Å; D88-S91 PolarHBondContact OD1-N 2.88Å; R89-S91 VanDerWaalsContact C-N 3.27Å; R89-S91 PolarHBondContact O-N 2.66Å
92	F	98.8	Very high	97.7	Very high	15 Å²	15	32.3 Å²	32.3	7%	0.066	18%	0.178	C	C	.	.	H	α-helix	trans	-72.5	-38.4	175.6	179.4	-105.3	0	0	0	111.7	Y84 R89 G90 E94 V95 V128 E132 L136	Y84-F92 AromaticContact CD1-CD2 3.9Å; Y84-F92 HydrophobicContact CD1-CD2 3.9Å; Y84-F92 HydrophobicContact CD2-CB 3.94Å; Y84-F92 AromaticContact CD2-CD2 3.81Å; Y84-F92 HydrophobicContact CD2-CD2 3.81Å; Y84-F92 HydrophobicContact CD2-CG 4.34Å; Y84-F92 AromaticContact CE1-CD2 3.83Å; Y84-F92 HydrophobicContact CE1-CD2 3.83Å; Y84-F92 HydrophobicContact CE1-CE2 4.14Å; Y84-F92 AromaticContact CE2-CD2 3.76Å; Y84-F92 HydrophobicContact CE2-CD2 3.76Å; Y84-F92 HydrophobicContact CE2-CE2 4.47Å; Y84-F92 HydrophobicContact CG-CB 4.21Å; Y84-F92 AromaticContact CG-CD2 3.88Å; Y84-F92 HydrophobicContact CG-CD2 3.88Å; Y84-F92 AromaticContact CZ-CD2 3.77Å; R89-F92 WeakPolarHBondContact O-CB 3.38Å; R89-F92 PolarHBondContact O-N 2.73Å; R89-F92 VanDerWaalsContact O-N 3.13Å; G90-F92 VanDerWaalsContact C-N 3.31Å; G90-F92 PolarHBondContact O-N 3.21Å; F92-E94 PolarHBondContact O-N 3.43Å; F92-V95 VanDerWaalsContact O-CB 3.28Å; F92-V95 WeakPolarHBondContact O-CB 3.39Å; F92-V95 VanDerWaalsContact O-CG2 3.25Å; F92-V95 WeakPolarHBondContact O-CG2 3.48Å; F92-V95 PolarHBondContact O-N 3.28Å; F92-V95 VanDerWaalsContact O-N 3.15Å; F92-V128 HydrophobicContact CB-CG1 4.47Å; F92-V128 HydrophobicContact CB-CG2 3.81Å; F92-V128 HydrophobicContact CD1-CG1 4.2Å; F92-V128 HydrophobicContact CD2-CG1 3.86Å; F92-V128 HydrophobicContact CE1-CG1 4.39Å; F92-V128 HydrophobicContact CE2-CG1 4.07Å; F92-V128 HydrophobicContact CG-CG1 3.92Å; F92-V128 HydrophobicContact CG-CG2 4.12Å; F92-V128 HydrophobicContact CZ-CG1 4.32Å; F92-E132 HydrophobicContact CE1-CB 4.29Å; F92-E132 HydrophobicContact CZ-CB 4.01Å; F92-L136 HydrophobicContact CD2-CD2 4.24Å; F92-L136 HydrophobicContact CE1-CD2 4.33Å; F92-L136 HydrophobicContact CE2-CB 4.28Å; F92-L136 HydrophobicContact CE2-CD2 3.5Å; F92-L136 HydrophobicContact CZ-CB 3.98Å; F92-L136 HydrophobicContact CZ-CD2 3.56Å; F92-L136 HydrophobicContact CZ-CG 4.39Å
93	E	98.4	Very high	97.4	Very high	120 Å²	120	34.6 Å²	34.6	56%	0.561	19%	0.188	S	C	*	.	H	α-helix	trans	-65.6	-25.8	176.9	-70	172	180	0	0	112.9	R89 G90 V95 P97	R89-E93 IonicContact NE-OE1 3.48Å; R89-E93 PolarHBondContact NE-OE1 3.26Å; R89-E93 PolarHBondContact O-N 3.43Å; R89-E93 VanDerWaalsContact O-N 3.11Å; G90-E93 PolarHBondContact O-N 3.41Å; E93-V95 VanDerWaalsContact C-N 3.27Å; E93-V95 PolarHBondContact O-N 2.83Å; E93-P97 WeakPolarHBondContact O-CD 3.45Å
94	E	97.6	Very high	97.1	Very high	80 Å²	80	40.7 Å²	40.7	37%	0.374	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-14.1	174.5	-75	-175.2	-155.8	0	0	114.2	K14 G90 F92 P97 L98	K14-E94 WeakPolarHBondContact CB-OE2 3.37Å; K14-E94 WeakPolarHBondContact CD-OE1 3.46Å; G90-E94 PolarHBondContact O-N 3.05Å; F92-E94 PolarHBondContact O-N 3.43Å; E94-P97 WeakPolarHBondContact O-CD 3.37Å; E94-L98 WeakPolarHBondContact O-CG 3.29Å; E94-L98 PolarHBondContact O-N 3.46Å
95	V	98.3	Very high	96.9	Very high	1 Å²	1	42.3 Å²	42.3	1%	0.006	23%	0.227	C	C	.	.	H	α-helix	trans	-64.2	-46.4	-178.1	175.7	0	0	0	0	111.8	I82 Y84 F92 E93 L98 R99 L115 L136 M140	I82-V95 HydrophobicContact CG2-CB 4.24Å; I82-V95 HydrophobicContact CG2-CG1 3.99Å; I82-V95 HydrophobicContact CG2-CG2 3.9Å; Y84-V95 HydrophobicContact CD1-CG2 4.31Å; F92-V95 VanDerWaalsContact O-CB 3.28Å; F92-V95 WeakPolarHBondContact O-CB 3.39Å; F92-V95 VanDerWaalsContact O-CG2 3.25Å; F92-V95 WeakPolarHBondContact O-CG2 3.48Å; F92-V95 PolarHBondContact O-N 3.28Å; F92-V95 VanDerWaalsContact O-N 3.15Å; E93-V95 VanDerWaalsContact C-N 3.27Å; E93-V95 PolarHBondContact O-N 2.83Å; V95-L98 PolarHBondContact O-N 3.08Å; V95-R99 PolarHBondContact O-N 3.26Å; V95-L115 HydrophobicContact CG1-CD1 3.65Å; V95-L115 HydrophobicContact CG2-CD1 4.05Å; V95-L136 HydrophobicContact CB-CD2 3.95Å; V95-L136 HydrophobicContact CG1-CD2 3.69Å; V95-M140 HydrophobicContact CG1-CE 3.81Å; V95-M140 HydrophobicContact CG1-SD 4.05Å
96	A	96.7	Very high	96.4	Very high	47 Å²	47	43.8 Å²	43.8	39%	0.388	23%	0.233	S	C	.	.	H	α-helix	trans	-66.8	-43.3	-177.1	0	0	0	0	0	113.3	L98 R99 T100	A96-L98 PolarHBondContact O-N 3.21Å; A96-R99 PolarHBondContact O-N 3.39Å; A96-T100 PolarHBondContact O-N 2.95Å; A96-T100 PolarHBondContact O-OG1 3.4Å
97	P	96.8	Very high	95.6	Very high	81 Å²	81	52.5 Å²	52.5	53%	0.526	27%	0.27	S	S	.	.	H	α-helix	trans	-56.7	-45	169	-27.5	34.8	0	0	0	113.5	E93 E94 R99 T100 L101	E93-P97 WeakPolarHBondContact O-CD 3.45Å; E94-P97 WeakPolarHBondContact O-CD 3.37Å; P97-R99 VanDerWaalsContact C-N 3.34Å; P97-R99 PolarHBondContact O-N 3.47Å; P97-T100 PolarHBondContact O-N 3.29Å; P97-L101 PolarHBondContact O-N 3.37Å
98	L	96.8	Very high	94.2	Very high	16 Å²	16	55.8 Å²	55.8	8%	0.084	29%	0.292	C	S	.	.	H	α-helix	trans	-61.7	-41.9	177.1	-76.5	170.4	0	0	0	111.9	F12 K70 M74 I82 E94 V95 A96 T100 L101 L102	F12-L98 HydrophobicContact CB-CD1 4.35Å; K70-L98 HydrophobicContact CD-CD2 4.14Å; M74-L98 HydrophobicContact CE-CD2 4.45Å; I82-L98 HydrophobicContact CD1-CB 4.04Å; I82-L98 HydrophobicContact CG2-CD1 4.08Å; E94-L98 WeakPolarHBondContact O-CG 3.29Å; E94-L98 PolarHBondContact O-N 3.46Å; V95-L98 PolarHBondContact O-N 3.08Å; A96-L98 PolarHBondContact O-N 3.21Å; L98-T100 VanDerWaalsContact C-N 3.35Å; L98-L101 PolarHBondContact O-N 3.01Å; L98-L102 WeakPolarHBondContact O-CB 3.3Å; L98-L102 PolarHBondContact O-N 3.3Å
99	R	95.5	Very high	92.8	Very high	28 Å²	28	60 Å²	60	11%	0.106	31%	0.308	C	S	.	.	H	α-helix	trans	-61.4	-43.7	174.9	172.9	58.2	-174.7	-120.3	-6.4	111.8	V95 A96 P97 L102 E103 L113 M140	V95-R99 PolarHBondContact O-N 3.26Å; A96-R99 PolarHBondContact O-N 3.39Å; P97-R99 VanDerWaalsContact C-N 3.34Å; P97-R99 PolarHBondContact O-N 3.47Å; R99-L102 WeakPolarHBondContact O-CB 3.3Å; R99-L102 PolarHBondContact O-N 3.28Å; R99-E103 IonicContact CZ-OE1 3.27Å; R99-E103 IonicContact NE-OE1 3.63Å; R99-E103 PolarHBondContact NE-OE1 2.8Å; R99-E103 IonicContact NH2-OE1 3.3Å; R99-E103 PolarHBondContact NH2-OE1 3.4Å; R99-E103 PolarHBondContact O-N 3.46Å; R99-L113 VanDerWaalsContact NH1-CD2 3.27Å; R99-M140 HydrophobicContact CB-SD 3.74Å; R99-M140 HydrophobicContact CG-CG 4.08Å; R99-M140 HydrophobicContact CG-SD 3.73Å; R99-M140 PolarHBondContact NH1-O 3.27Å; R99-M140 PolarHBondContact NH2-O 3.34Å
100	T	94.6	Very high	91.6	Very high	75 Å²	75	61 Å²	61	46%	0.46	32%	0.319	S	S	.	.	H	α-helix	trans	-60.8	-49.6	179.8	-58.8	0	0	0	0	110.6	A96 P97 L98 L102 E103 E104	A96-T100 PolarHBondContact O-N 2.95Å; A96-T100 PolarHBondContact O-OG1 3.4Å; P97-T100 PolarHBondContact O-N 3.29Å; L98-T100 VanDerWaalsContact C-N 3.35Å; T100-L102 VanDerWaalsContact C-N 3.29Å; T100-L102 PolarHBondContact O-N 2.82Å; T100-E103 PolarHBondContact O-N 3.26Å; T100-E104 WeakPolarHBondContact O-CG 3.43Å; T100-E104 PolarHBondContact O-N 3.47Å; T100-E104 VanDerWaalsContact O-N 3.12Å
101	L	95.3	Very high	91	Very high	25 Å²	25	60.3 Å²	60.3	13%	0.131	31%	0.311	C	S	.	.	H	α-helix	trans	-59.1	-40.9	176.6	-176.8	62.7	0	0	0	111.8	K70 E71 M74 P97 L98 E103 E104 V105	K70-L101 HydrophobicContact CB-CD2 4.07Å; K70-L101 HydrophobicContact CD-CD2 4.36Å; E71-L101 HydrophobicContact CG-CD1 4.06Å; M74-L101 HydrophobicContact CE-CB 4.16Å; M74-L101 HydrophobicContact CE-CD2 3.88Å; M74-L101 HydrophobicContact CE-CG 3.99Å; M74-L101 HydrophobicContact SD-CB 4.36Å; M74-L101 HydrophobicContact SD-CD2 4.11Å; M74-L101 HydrophobicContact SD-CG 3.8Å; P97-L101 PolarHBondContact O-N 3.37Å; L98-L101 PolarHBondContact O-N 3.01Å; L101-E103 VanDerWaalsContact C-N 3.35Å; L101-E103 PolarHBondContact O-N 2.87Å; L101-E104 PolarHBondContact O-N 2.69Å; L101-V105 HydrophobicContact CD1-CG2 4.37Å; L101-V105 WeakPolarHBondContact O-CG2 3.48Å; L101-V105 PolarHBondContact O-N 2.7Å
102	L	95.2	Very high	90.8	Very high	4 Å²	4	60.7 Å²	60.7	2%	0.021	31%	0.313	C	S	.	.	H	α-helix	trans	-60	-43	177.3	-178.6	64.8	0	0	0	112.3	M74 F80 L98 R99 T100 E104 V105 K106 V111	M74-L102 HydrophobicContact CB-CD1 4.12Å; M74-L102 HydrophobicContact CE-CB 4.19Å; M74-L102 HydrophobicContact CG-CD1 3.81Å; M74-L102 HydrophobicContact SD-CB 4.15Å; M74-L102 HydrophobicContact SD-CD1 4.13Å; F80-L102 HydrophobicContact CB-CD2 4.08Å; F80-L102 HydrophobicContact CD1-CD1 3.92Å; F80-L102 HydrophobicContact CD2-CD1 3.69Å; F80-L102 HydrophobicContact CD2-CD2 3.78Å; F80-L102 HydrophobicContact CD2-CG 4.35Å; F80-L102 HydrophobicContact CE1-CD1 3.84Å; F80-L102 HydrophobicContact CE2-CD1 3.63Å; F80-L102 HydrophobicContact CG-CD1 3.85Å; F80-L102 HydrophobicContact CG-CD2 3.82Å; F80-L102 HydrophobicContact CZ-CD1 3.69Å; L98-L102 WeakPolarHBondContact O-CB 3.3Å; L98-L102 PolarHBondContact O-N 3.3Å; R99-L102 WeakPolarHBondContact O-CB 3.3Å; R99-L102 PolarHBondContact O-N 3.28Å; T100-L102 VanDerWaalsContact C-N 3.29Å; T100-L102 PolarHBondContact O-N 2.82Å; L102-E104 VanDerWaalsContact C-N 3.33Å; L102-V105 PolarHBondContact O-N 2.87Å; L102-K106 HydrophobicContact CD1-CG 4Å; L102-K106 VanDerWaalsContact O-CB 3.32Å; L102-K106 WeakPolarHBondContact O-CB 2.78Å; L102-K106 PolarHBondContact O-N 2.78Å; L102-V111 HydrophobicContact CD1-CG1 4.45Å; L102-V111 HydrophobicContact CD2-CB 4.36Å; L102-V111 HydrophobicContact CD2-CG1 4.28Å; L102-V111 HydrophobicContact CG-CG1 4.5Å; L102-V111 HydrophobicContact CG-CG2 4.48Å
103	E	92.7	Very high	90.7	Very high	50 Å²	50	60.4 Å²	60.4	23%	0.234	31%	0.313	C	S	.	.	H	α-helix	trans	-68.8	-29.6	177.6	-71	-171.6	-177.6	0	0	113.6	R99 T100 L101 K106 K109	R99-E103 IonicContact CZ-OE1 3.27Å; R99-E103 IonicContact NE-OE1 3.63Å; R99-E103 PolarHBondContact NE-OE1 2.8Å; R99-E103 IonicContact NH2-OE1 3.3Å; R99-E103 PolarHBondContact NH2-OE1 3.4Å; R99-E103 PolarHBondContact O-N 3.46Å; T100-E103 PolarHBondContact O-N 3.26Å; L101-E103 VanDerWaalsContact C-N 3.35Å; L101-E103 PolarHBondContact O-N 2.87Å; E103-K106 VanDerWaalsContact O-O 3.11Å; E103-K109 HydrophobicContact CB-CG 4.5Å; E103-K109 IonicContact OE2-NZ 2.69Å
104	E	92.8	Very high	90.7	Very high	130 Å²	130	54.9 Å²	54.9	61%	0.607	29%	0.287	S	S	*	.	H	α-helix	trans	-70	-43.6	175	-70.7	178	167.1	0	0	111	T100 L101 L102	T100-E104 WeakPolarHBondContact O-CG 3.43Å; T100-E104 PolarHBondContact O-N 3.47Å; T100-E104 VanDerWaalsContact O-N 3.12Å; L101-E104 PolarHBondContact O-N 2.69Å; L102-E104 VanDerWaalsContact C-N 3.33Å
105	V	94.2	Very high	90.8	Very high	34 Å²	34	51 Å²	51	21%	0.206	27%	0.269	C	S	.	.	H	α-helix	trans	-72.4	-38.9	-179.8	175.9	0	0	0	0	111.9	E71 M74 R75 L101 L102	E71-V105 HydrophobicContact CB-CG2 3.98Å; E71-V105 HydrophobicContact CG-CG2 3.67Å; M74-V105 HydrophobicContact CB-CB 4.21Å; M74-V105 HydrophobicContact CB-CG1 3.78Å; M74-V105 HydrophobicContact CB-CG2 4.48Å; M74-V105 HydrophobicContact SD-CB 4.47Å; M74-V105 HydrophobicContact SD-CG2 4.17Å; R75-V105 HydrophobicContact CG-CG1 3.53Å; L101-V105 HydrophobicContact CD1-CG2 4.37Å; L101-V105 WeakPolarHBondContact O-CG2 3.48Å; L101-V105 PolarHBondContact O-N 2.7Å; L102-V105 PolarHBondContact O-N 2.87Å
106	K	89.9	Confident	90.8	Very high	41 Å²	41	51.1 Å²	51.1	18%	0.178	27%	0.269	C	S	.	.	S	Bend	trans	-101.2	119.9	-175.4	-70.5	-73.8	-174.5	-170.9	0	112.6	M74 R75 G77 L102 E103 P108 V111	M74-K106 WeakPolarHBondContact O-CE 3.4Å; M74-K106 PolarHBondContact O-NZ 2.89Å; R75-K106 PolarHBondContact O-NZ 3.38Å; G77-K106 VanDerWaalsContact O-CE 3.3Å; G77-K106 WeakPolarHBondContact O-CE 3.32Å; G77-K106 PolarHBondContact O-NZ 3.08Å; L102-K106 HydrophobicContact CD1-CG 4Å; L102-K106 VanDerWaalsContact O-CB 3.32Å; L102-K106 WeakPolarHBondContact O-CB 2.78Å; L102-K106 PolarHBondContact O-N 2.78Å; E103-K106 VanDerWaalsContact O-O 3.11Å; K106-P108 CarbonylContact O-C 3.53Å; K106-V111 HydrophobicContact CB-CG2 3.22Å; K106-V111 HydrophobicContact CG-CG1 4.28Å; K106-V111 HydrophobicContact CG-CG2 3.66Å
107	K	80.6	Confident	90.9	Very high	182 Å²	182	48.9 Å²	48.9	79%	0.791	25%	0.251	S	S	*	.	S	Bend	trans	-118.5	128.3	169.2	-65.9	-178.1	-177.7	175.7	0	110
108	P	69.8	Low	91	Very high	93 Å²	93	45.2 Å²	45.2	60%	0.604	23%	0.227	S	C	*	.	S	Bend	cis	-73.3	154.8	2.1	31.3	-35.1	0	0	0	113.5	K106 N110	K106-P108 CarbonylContact O-C 3.53Å; P108-N110 PolarHBondContact O-N 2.92Å
109	K	69.4	Low	91.1	Very high	133 Å²	133	47 Å²	47	58%	0.578	23%	0.234	S	C	*	.	S	Bend	trans	-58.8	-8.8	-174.3	-67.5	-169.7	169.5	-157.3	0	116.1	E103 V111	E103-K109 HydrophobicContact CB-CG 4.5Å; E103-K109 IonicContact OE2-NZ 2.69Å; K109-V111 PolarHBondContact O-N 3.46Å
110	N	72.8	Confident	91.1	Very high	100 Å²	100	47.5 Å²	47.5	54%	0.535	24%	0.242	S	C	.	.			trans	-90	93	176.6	-158.5	3.9	0	0	0	108	P108 R171	P108-N110 PolarHBondContact O-N 2.92Å; N110-R171 PolarHBondContact O-NH1 3.44Å; N110-R171 VanDerWaalsContact OD1-CZ 3.25Å; N110-R171 PolarHBondContact OD1-NH1 3.04Å; N110-R171 PolarHBondContact OD1-NH2 3.01Å; N110-R171 VanDerWaalsContact OD1-NH2 3.11Å
111	V	85.9	Confident	91.3	Very high	10 Å²	10	47 Å²	47	6%	0.061	24%	0.236	C	C	.	.			trans	-104.4	137.7	176.1	-169.5	0	0	0	0	110.5	F80 L102 K106 K109 L113 R171	F80-V111 HydrophobicContact CD2-CG1 3.31Å; F80-V111 HydrophobicContact CE2-CG1 3.27Å; L102-V111 HydrophobicContact CD1-CG1 4.45Å; L102-V111 HydrophobicContact CD2-CB 4.36Å; L102-V111 HydrophobicContact CD2-CG1 4.28Å; L102-V111 HydrophobicContact CG-CG1 4.5Å; L102-V111 HydrophobicContact CG-CG2 4.48Å; K106-V111 HydrophobicContact CB-CG2 3.22Å; K106-V111 HydrophobicContact CG-CG1 4.28Å; K106-V111 HydrophobicContact CG-CG2 3.66Å; K109-V111 PolarHBondContact O-N 3.46Å; V111-L113 PolarHBondContact O-N 2.86Å; V111-R171 VanDerWaalsContact CA-NH1 3.3Å; V111-R171 PolarHBondContact O-NH1 2.83Å
112	P	95.2	Very high	91.3	Very high	10 Å²	10	48.4 Å²	48.4	7%	0.065	24%	0.244	C	C	.	.			trans	-56.9	122.4	171.5	-25.8	35.8	0	0	0	110.9	D78 G79 F80 L164 E167 V168	D78-P112 WeakPolarHBondContact O-CD 3.4Å; G79-P112 WeakPolarHBondContact CA-O 3.14Å; F80-P112 PolarHBondContact N-O 3.34Å; P112-L164 HydrophobicContact CB-CD1 3.67Å; P112-E167 HydrophobicContact CB-CB 4.37Å; P112-E167 HydrophobicContact CB-CG 3.87Å; P112-E167 HydrophobicContact CG-CG 4.28Å; P112-V168 HydrophobicContact CB-CG2 3.69Å; P112-V168 HydrophobicContact CG-CB 4.44Å; P112-V168 HydrophobicContact CG-CG2 3.78Å
113	L	97.2	Very high	91.4	Very high	9 Å²	9	52.9 Å²	52.9	5%	0.047	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	143.8	-178.8	177.3	66.7	0	0	0	109	F80 I82 R99 V111 M140 C142	F80-L113 HydrophobicContact CB-CD1 3.91Å; F80-L113 CarbonylContact O-C 3.57Å; F80-L113 VanDerWaalsContact O-CA 3.29Å; F80-L113 WeakPolarHBondContact O-CA 3.41Å; I82-L113 HydrophobicContact CB-CD1 4.33Å; I82-L113 HydrophobicContact CD1-CD1 3.71Å; I82-L113 HydrophobicContact CD1-CD2 4.35Å; I82-L113 HydrophobicContact CG1-CD1 3.7Å; R99-L113 VanDerWaalsContact NH1-CD2 3.27Å; V111-L113 PolarHBondContact O-N 2.86Å; L113-M140 HydrophobicContact CD2-CB 4.48Å; L113-M140 HydrophobicContact CD2-CE 4.27Å; L113-M140 HydrophobicContact CD2-SD 4.16Å; L113-C142 HydrophobicContact CB-CB 3.93Å; L113-C142 HydrophobicContact CD2-CB 4.08Å; L113-C142 HydrophobicContact CG-CB 3.96Å; L113-C142 VanDerWaalsContact O-CB 3.28Å; L113-C142 WeakPolarHBondContact O-CB 3.11Å
114	V	98.6	Very high	91.7	Very high	3 Å²	3	57.6 Å²	57.6	2%	0.018	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	132.2	163.6	176.2	0	0	0	0	108.1	F80 I81 I82 V116 A143 Y145 A160 L164	F80-V114 PolarHBondContact O-N 2.82Å; I81-V114 WeakPolarHBondContact CA-O 3.44Å; I82-V114 PolarHBondContact N-O 2.8Å; V114-V116 HydrophobicContact CG1-CG2 4.03Å; V114-A143 HydrophobicContact CG2-CB 4.32Å; V114-Y145 HydrophobicContact CG1-CD2 3.62Å; V114-Y145 HydrophobicContact CG1-CE2 3.92Å; V114-A160 HydrophobicContact CG1-CB 4.3Å; V114-L164 HydrophobicContact CG2-CB 3.77Å; V114-L164 HydrophobicContact CG2-CD1 4.22Å; V114-L164 HydrophobicContact CG2-CG 4.47Å
115	L	98.8	Very high	91.9	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	132.9	171.1	-179.3	63.3	0	0	0	109.3	I82 Y84 V95 L136 A137 M140 A143 F144 Y145	I82-L115 HydrophobicContact CB-CD1 4.48Å; I82-L115 HydrophobicContact CG2-CD1 4.49Å; Y84-L115 HydrophobicContact CD1-CD1 3.86Å; Y84-L115 HydrophobicContact CD1-CG 4.37Å; Y84-L115 HydrophobicContact CE1-CD1 4.05Å; Y84-L115 HydrophobicContact CE1-CD2 4.24Å; Y84-L115 HydrophobicContact CE1-CG 4.05Å; V95-L115 HydrophobicContact CG1-CD1 3.65Å; V95-L115 HydrophobicContact CG2-CD1 4.05Å; L115-L136 HydrophobicContact CD2-CB 4.36Å; L115-L136 HydrophobicContact CD2-CD2 4.26Å; L115-L136 HydrophobicContact CD2-CG 4.34Å; L115-A137 HydrophobicContact CB-CB 4.38Å; L115-A137 HydrophobicContact CD2-CB 4.07Å; L115-M140 HydrophobicContact CB-CE 4.25Å; L115-M140 HydrophobicContact CD1-CE 4.31Å; L115-M140 HydrophobicContact CD2-CE 3.93Å; L115-M140 HydrophobicContact CG-CE 4.39Å; L115-A143 PolarHBondContact N-O 3.26Å; L115-F144 HydrophobicContact CB-CD2 4.12Å; L115-F144 HydrophobicContact CD2-CD2 3.91Å; L115-F144 HydrophobicContact CD2-CE2 4.29Å; L115-F144 HydrophobicContact CG-CD2 3.88Å; L115-F144 HydrophobicContact CG-CE2 4.3Å; L115-F144 WeakPolarHBondContact O-CA 3.37Å; L115-Y145 PolarHBondContact O-N 2.96Å
116	V	98.9	Very high	92.1	Very high	3 Å²	3	56.1 Å²	56.1	2%	0.018	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	119.7	179.7	176.4	0	0	0	0	110.7	L22 I81 I82 V83 Y84 V114 Y145 C147 A160	L22-V116 HydrophobicContact CD1-CG1 3.98Å; I81-V116 HydrophobicContact CG2-CB 4.25Å; I81-V116 HydrophobicContact CG2-CG2 3.67Å; I82-V116 PolarHBondContact O-N 3.1Å; V83-V116 WeakPolarHBondContact CA-O 3.27Å; V83-V116 HydrophobicContact CG1-CG1 4.45Å; V83-V116 HydrophobicContact CG2-CB 4.38Å; Y84-V116 WeakPolarHBondContact CD1-O 3.43Å; Y84-V116 PolarHBondContact N-O 2.78Å; V114-V116 HydrophobicContact CG1-CG2 4.03Å; V116-Y145 CarbonylContact C-O 3.55Å; V116-Y145 VanDerWaalsContact CA-O 3.31Å; V116-Y145 WeakPolarHBondContact CA-O 3.43Å; V116-C147 WeakPolarHBondContact CG1-SG 3.32Å; V116-A160 HydrophobicContact CG2-CB 4.22Å
117	G	98.8	Very high	92.6	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	103.6	165.4	0	0	0	0	0	109.9	Y84 Y145 E146 C147	Y84-G117 VanDerWaalsContact CE1-CA 3.47Å; Y84-G117 VanDerWaalsContact CZ-CA 3.44Å; G117-Y145 PolarHBondContact N-O 3.31Å; G117-E146 CarbonylContact O-C 3.52Å; G117-E146 VanDerWaalsContact O-CA 3.24Å; G117-E146 WeakPolarHBondContact O-CA 3.3Å; G117-C147 PolarHBondContact O-N 3.4Å
118	N	98.6	Very high	93.4	Very high	4 Å²	4	50.9 Å²	50.9	2%	0.021	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	166	-177.6	-168.3	30.2	0	0	0	112.1	V17 L22 V83 Y84 I86 C147 A149	V17-N118 PolarHBondContact O-ND2 2.82Å; L22-N118 HydrophobicContact CD1-CB 4.2Å; V83-N118 HydrophobicContact CG1-CB 3.84Å; Y84-N118 PolarHBondContact O-N 2.75Å; I86-N118 PolarHBondContact N-O 2.99Å; N118-C147 CarbonylContact C-O 3.53Å; N118-C147 VanDerWaalsContact CA-O 3.28Å; N118-C147 WeakPolarHBondContact CA-O 3.44Å; N118-C147 PolarHBondContact OD1-O 3.21Å; N118-A149 PolarHBondContact OD1-N 3.07Å
119	K	97.6	Very high	94.8	Very high	53 Å²	53	48.8 Å²	48.8	23%	0.23	25%	0.248	C	C	.	.			trans	68.7	36.8	179.3	-45	-168.7	-165.1	167.9	0	113.5	G16 D85 I86 D121 L122 C147	G16-K119 WeakPolarHBondContact O-CE 3.38Å; G16-K119 PolarHBondContact O-NZ 3.06Å; D85-K119 WeakPolarHBondContact OD2-CD 3.24Å; D85-K119 WeakPolarHBondContact OD2-CE 3.37Å; D85-K119 IonicContact OD2-NZ 3.8Å; D85-K119 PolarHBondContact OD2-NZ 2.98Å; I86-K119 WeakPolarHBondContact CD1-O 3.47Å; I86-K119 WeakPolarHBondContact CG1-O 3.38Å; K119-D121 WeakPolarHBondContact CA-OD1 3.37Å; K119-D121 PolarHBondContact O-N 3.11Å; K119-D121 VanDerWaalsContact O-N 3.09Å; K119-L122 HydrophobicContact CB-CD1 4.11Å; K119-L122 HydrophobicContact CB-CG 4.37Å; K119-L122 HydrophobicContact CD-CD1 4.16Å; K119-L122 WeakPolarHBondContact O-CB 3.41Å; K119-L122 PolarHBondContact O-N 3.33Å; K119-C147 PolarHBondContact N-O 2.93Å
120	S	97.5	Very high	96.2	Very high	38 Å²	38	44.4 Å²	44.4	27%	0.266	23%	0.232	S	C	.	.	G	3₁₀ helix	trans	-60.8	-15.7	176.5	63.4	0	0	0	0	114.4	L122 C147 S148	S120-L122 PolarHBondContact O-N 2.56Å; S120-C147 PolarHBondContact N-O 3.4Å; S120-C147 VanDerWaalsContact N-O 3.11Å; S120-C147 PolarHBondContact OG-O 3.21Å; S120-S148 PolarHBondContact OG-N 3.09Å
121	D	96.8	Very high	97.4	Very high	66 Å²	66	45.7 Å²	45.7	35%	0.353	24%	0.235	S	C	.	.	G	3₁₀ helix	trans	-65.1	-20.2	169.6	57.3	-71.3	0	0	0	113.4	K119 D123 S148 C150 A151	K119-D121 WeakPolarHBondContact CA-OD1 3.37Å; K119-D121 PolarHBondContact O-N 3.11Å; K119-D121 VanDerWaalsContact O-N 3.09Å; D121-D123 VanDerWaalsContact C-N 3.34Å; D121-D123 PolarHBondContact O-N 2.92Å; D121-S148 VanDerWaalsContact CG-OG 3.25Å; D121-S148 WeakPolarHBondContact OD1-CB 3.27Å; D121-S148 PolarHBondContact OD1-OG 3.11Å; D121-C150 PolarHBondContact OD2-SG 3.24Å; D121-A151 HydrophobicContact CB-CB 4.31Å
122	L	97.1	Very high	98	Very high	54 Å²	54	46.8 Å²	46.8	28%	0.283	24%	0.24	S	C	.	.	G	3₁₀ helix	trans	-96.6	35.4	-178.9	-57.7	-178.4	0	0	0	112.9	T87 K119 S120 H124 V125 R126	T87-L122 HydrophobicContact CG2-CB 3.58Å; T87-L122 HydrophobicContact CG2-CD1 4.06Å; T87-L122 HydrophobicContact CG2-CG 4.48Å; K119-L122 HydrophobicContact CB-CD1 4.11Å; K119-L122 HydrophobicContact CB-CG 4.37Å; K119-L122 HydrophobicContact CD-CD1 4.16Å; K119-L122 WeakPolarHBondContact O-CB 3.41Å; K119-L122 PolarHBondContact O-N 3.33Å; S120-L122 PolarHBondContact O-N 2.56Å; L122-H124 PolarHBondContact O-N 2.66Å; L122-H124 VanDerWaalsContact O-N 3.13Å; L122-V125 HydrophobicContact CB-CG2 3.89Å; L122-V125 VanDerWaalsContact O-CG2 3.3Å; L122-V125 WeakPolarHBondContact O-CG2 3.38Å; L122-V125 PolarHBondContact O-N 2.79Å; L122-R126 PolarHBondContact O-N 2.95Å
123	D	97	Very high	98.2	Very high	97 Å²	97	46.3 Å²	46.3	52%	0.519	24%	0.236	S	C	.	.	G	3₁₀ helix	trans	-56.3	-33.9	-175.3	-166.2	63.8	0	0	0	113.7	D121 V125 R126	D121-D123 VanDerWaalsContact C-N 3.34Å; D121-D123 PolarHBondContact O-N 2.92Å; D123-V125 PolarHBondContact O-N 2.87Å; D123-V125 VanDerWaalsContact O-N 3.11Å; D123-R126 WeakPolarHBondContact O-CB 3.35Å; D123-R126 PolarHBondContact O-N 2.94Å; D123-R126 IonicContact OD1-CZ 2.79Å; D123-R126 IonicContact OD1-NE 3.76Å; D123-R126 PolarHBondContact OD1-NE 3.11Å; D123-R126 IonicContact OD1-NH2 3.69Å; D123-R126 PolarHBondContact OD1-NH2 3.21Å
124	H	97.8	Very high	98.2	Very high	150 Å²	150	51 Å²	51	69%	0.694	26%	0.258	S	S	*	.	G	3₁₀ helix	trans	-61.7	-17.4	177.1	64	-74.5	0	0	0	115	L122	L122-H124 PolarHBondContact O-N 2.66Å; L122-H124 VanDerWaalsContact O-N 3.13Å
125	V	98.3	Very high	98.2	Very high	73 Å²	73	57.3 Å²	57.3	44%	0.442	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-123.1	21.4	175.9	-70	0	0	0	0	111.9	T87 L122 D123 Q127	T87-V125 HydrophobicContact CG2-CG2 3.81Å; L122-V125 HydrophobicContact CB-CG2 3.89Å; L122-V125 VanDerWaalsContact O-CG2 3.3Å; L122-V125 WeakPolarHBondContact O-CG2 3.38Å; L122-V125 PolarHBondContact O-N 2.79Å; D123-V125 PolarHBondContact O-N 2.87Å; D123-V125 VanDerWaalsContact O-N 3.11Å; V125-Q127 PolarHBondContact O-N 3.24Å
126	R	98.6	Very high	98.2	Very high	60 Å²	60	58.2 Å²	58.2	23%	0.226	29%	0.286	C	S	.	.			trans	-57.3	132.8	177.1	178.2	-177.5	-71.8	-90.6	10.2	111.3	I86 L122 D123 V128 T130 E146	I86-R126 HydrophobicContact CD1-CB 4.34Å; I86-R126 HydrophobicContact CD1-CG 4.31Å; L122-R126 PolarHBondContact O-N 2.95Å; D123-R126 WeakPolarHBondContact O-CB 3.35Å; D123-R126 PolarHBondContact O-N 2.94Å; D123-R126 IonicContact OD1-CZ 2.79Å; D123-R126 IonicContact OD1-NE 3.76Å; D123-R126 PolarHBondContact OD1-NE 3.11Å; D123-R126 IonicContact OD1-NH2 3.69Å; D123-R126 PolarHBondContact OD1-NH2 3.21Å; R126-V128 VanDerWaalsContact CD-O 3.29Å; R126-V128 WeakPolarHBondContact CD-O 3.45Å; R126-V128 WeakPolarHBondContact CG-O 3.41Å; R126-V128 PolarHBondContact NH1-O 3.3Å; R126-T130 PolarHBondContact NH1-OG1 3.45Å; R126-E146 IonicContact CZ-OE1 2.74Å; R126-E146 IonicContact CZ-OE2 3.91Å; R126-E146 IonicContact NH1-OE1 3.99Å; R126-E146 PolarHBondContact NH1-OE1 2.98Å; R126-E146 IonicContact NH1-OE2 3.6Å; R126-E146 PolarHBondContact NH1-OE2 3.11Å; R126-E146 IonicContact NH2-OE1 2.66Å; R126-E146 IonicContact NH2-OE2 3.87Å; R126-E146 PolarHBondContact NH2-OE2 3.49Å
127	Q	98.8	Very high	98.2	Very high	112 Å²	112	58.2 Å²	58.2	52%	0.523	29%	0.286	S	S	.	.			trans	-110.4	-22.5	172	-62.1	-173.9	14.1	0	0	112.7	I86 T87 R89 V125	I86-Q127 PolarHBondContact O-N 3.26Å; T87-Q127 WeakPolarHBondContact O-CG 3.46Å; T87-Q127 PolarHBondContact O-NE2 2.97Å; T87-Q127 PolarHBondContact O-OE1 3.28Å; R89-Q127 HydrophobicContact CB-CB 4.4Å; R89-Q127 VanDerWaalsContact N-OE1 3.14Å; V125-Q127 PolarHBondContact O-N 3.24Å
128	V	98.8	Very high	98.1	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	32%	0.316	C	S	.	.	S	Bend	trans	-113.2	109.2	-179.9	-175.1	0	0	0	0	109	Y84 I86 F92 R126 E132	Y84-V128 HydrophobicContact CE2-CB 4.06Å; Y84-V128 HydrophobicContact CE2-CG1 3.81Å; Y84-V128 HydrophobicContact CE2-CG2 4.39Å; I86-V128 PolarHBondContact O-N 2.91Å; F92-V128 HydrophobicContact CB-CG1 4.47Å; F92-V128 HydrophobicContact CB-CG2 3.81Å; F92-V128 HydrophobicContact CD1-CG1 4.2Å; F92-V128 HydrophobicContact CD2-CG1 3.86Å; F92-V128 HydrophobicContact CE1-CG1 4.39Å; F92-V128 HydrophobicContact CE2-CG1 4.07Å; F92-V128 HydrophobicContact CG-CG1 3.92Å; F92-V128 HydrophobicContact CG-CG2 4.12Å; F92-V128 HydrophobicContact CZ-CG1 4.32Å; R126-V128 VanDerWaalsContact CD-O 3.29Å; R126-V128 WeakPolarHBondContact CD-O 3.45Å; R126-V128 WeakPolarHBondContact CG-O 3.41Å; R126-V128 PolarHBondContact NH1-O 3.3Å; V128-E132 HydrophobicContact CG1-CB 4.18Å
129	P	98.6	Very high	98	Very high	50 Å²	50	68.2 Å²	68.2	33%	0.325	35%	0.346	S	S	.	.			trans	-58.6	144.7	171.6	-21.6	33	0	0	0	111.7	E131 E132	P129-E131 WeakPolarHBondContact CB-OE2 3.31Å; P129-E131 PolarHBondContact O-N 3.23Å; P129-E132 HydrophobicContact CB-CG 4.42Å; P129-E132 VanDerWaalsContact CD-OE1 3.26Å; P129-E132 WeakPolarHBondContact CD-OE1 3.33Å; P129-E132 HydrophobicContact CG-CG 4.36Å; P129-E132 WeakPolarHBondContact O-CB 3.28Å; P129-E132 PolarHBondContact O-N 3.35Å
130	T	98.4	Very high	97.8	Very high	41 Å²	41	66.3 Å²	66.3	25%	0.252	34%	0.338	S	S	.	.	H	α-helix	trans	-55.9	-37.3	179.2	-53.8	0	0	0	0	111.4	R126 E132 G133 E134 F144 E146	R126-T130 PolarHBondContact NH1-OG1 3.45Å; T130-E132 PolarHBondContact O-N 3.49Å; T130-G133 PolarHBondContact O-N 3.02Å; T130-G133 VanDerWaalsContact O-N 3.07Å; T130-E134 HydrophobicContact CG2-CG 4.47Å; T130-E134 PolarHBondContact O-N 2.95Å; T130-F144 HydrophobicContact CG2-CE1 4.04Å; T130-E146 HydrophobicContact CG2-CG 4.28Å; T130-E146 PolarHBondContact OG1-OE1 2.95Å; T130-E146 PolarHBondContact OG1-OE2 3.13Å
131	E	98.6	Very high	97.7	Very high	126 Å²	126	68.3 Å²	68.3	59%	0.589	36%	0.357	S	S	*	.	H	α-helix	trans	-63.2	-29	179.3	-58.1	84	175	0	0	112.8	P129 R135	P129-E131 WeakPolarHBondContact CB-OE2 3.31Å; P129-E131 PolarHBondContact O-N 3.23Å; E131-R135 VanDerWaalsContact O-CB 3.27Å; E131-R135 WeakPolarHBondContact O-CB 3.36Å; E131-R135 PolarHBondContact O-N 3.04Å
132	E	98.6	Very high	97.7	Very high	34 Å²	34	66.2 Å²	66.2	16%	0.159	35%	0.347	C	S	.	.	H	α-helix	trans	-70.1	-39.6	174.5	-68	-158.9	-118.1	0	0	111.5	R89 F92 V128 P129 T130 R135 L136	R89-E132 IonicContact CZ-OE1 3.78Å; R89-E132 IonicContact CZ-OE2 3.39Å; R89-E132 VanDerWaalsContact NH1-CD 3.26Å; R89-E132 IonicContact NH1-OE1 2.75Å; R89-E132 PolarHBondContact NH1-OE1 3.2Å; R89-E132 IonicContact NH1-OE2 3.1Å; R89-E132 PolarHBondContact NH1-OE2 2.91Å; R89-E132 VanDerWaalsContact NH1-OE2 3.1Å; R89-E132 IonicContact NH2-OE1 3.94Å; R89-E132 IonicContact NH2-OE2 2.83Å; R89-E132 PolarHBondContact NH2-OE2 3.03Å; F92-E132 HydrophobicContact CE1-CB 4.29Å; F92-E132 HydrophobicContact CZ-CB 4.01Å; V128-E132 HydrophobicContact CG1-CB 4.18Å; P129-E132 HydrophobicContact CB-CG 4.42Å; P129-E132 VanDerWaalsContact CD-OE1 3.26Å; P129-E132 WeakPolarHBondContact CD-OE1 3.33Å; P129-E132 HydrophobicContact CG-CG 4.36Å; P129-E132 WeakPolarHBondContact O-CB 3.28Å; P129-E132 PolarHBondContact O-N 3.35Å; T130-E132 PolarHBondContact O-N 3.49Å; E132-R135 IonicContact OE2-NH2 3.36Å; E132-R135 PolarHBondContact OE2-NH2 2.64Å; E132-L136 WeakPolarHBondContact O-CB 3.47Å; E132-L136 PolarHBondContact O-N 2.64Å
133	G	98.6	Very high	97.7	Very high	0 Å²	0	65.2 Å²	65.2	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-63.8	-45.9	174.1	0	0	0	0	0	112.2	T130 L136 A137	T130-G133 PolarHBondContact O-N 3.02Å; T130-G133 VanDerWaalsContact O-N 3.07Å; G133-L136 PolarHBondContact O-N 3.26Å; G133-A137 WeakPolarHBondContact O-CB 3.29Å; G133-A137 PolarHBondContact O-N 2.83Å
134	E	98.6	Very high	97.8	Very high	108 Å²	108	62.5 Å²	62.5	51%	0.505	33%	0.33	S	S	.	.	H	α-helix	trans	-59.4	-47.3	175.5	-70.4	178.5	162.5	0	0	112	T130 A137 A138 F144	T130-E134 HydrophobicContact CG2-CG 4.47Å; T130-E134 PolarHBondContact O-N 2.95Å; E134-A137 PolarHBondContact O-N 2.73Å; E134-A138 WeakPolarHBondContact O-CB 3.32Å; E134-A138 PolarHBondContact O-N 3.21Å; E134-F144 HydrophobicContact CB-CD1 4.38Å; E134-F144 HydrophobicContact CG-CD1 3.6Å; E134-F144 HydrophobicContact CG-CE1 3.77Å
135	R	98.7	Very high	97.8	Very high	134 Å²	134	57.7 Å²	57.7	51%	0.506	31%	0.306	S	S	.	.	H	α-helix	trans	-60.7	-47.8	178	-176	-179.5	65.8	-135.5	-6.3	111.3	E131 E132 A137 A138 E139	E131-R135 VanDerWaalsContact O-CB 3.27Å; E131-R135 WeakPolarHBondContact O-CB 3.36Å; E131-R135 PolarHBondContact O-N 3.04Å; E132-R135 IonicContact OE2-NH2 3.36Å; E132-R135 PolarHBondContact OE2-NH2 2.64Å; R135-A137 VanDerWaalsContact C-N 3.33Å; R135-A137 PolarHBondContact O-N 3.02Å; R135-A138 WeakPolarHBondContact O-CB 3.41Å; R135-A138 PolarHBondContact O-N 3.33Å; R135-E139 WeakPolarHBondContact O-CG 3.22Å; R135-E139 PolarHBondContact O-N 3.02Å
136	L	98.2	Very high	97.8	Very high	20 Å²	20	56 Å²	56	11%	0.105	29%	0.294	C	S	.	.	H	α-helix	trans	-63.3	-40	179.6	-177.4	60.6	0	0	0	111.7	F92 V95 L115 E132 G133 E139 M140	F92-L136 HydrophobicContact CD2-CD2 4.24Å; F92-L136 HydrophobicContact CE1-CD2 4.33Å; F92-L136 HydrophobicContact CE2-CB 4.28Å; F92-L136 HydrophobicContact CE2-CD2 3.5Å; F92-L136 HydrophobicContact CZ-CB 3.98Å; F92-L136 HydrophobicContact CZ-CD2 3.56Å; F92-L136 HydrophobicContact CZ-CG 4.39Å; V95-L136 HydrophobicContact CB-CD2 3.95Å; V95-L136 HydrophobicContact CG1-CD2 3.69Å; L115-L136 HydrophobicContact CD2-CB 4.36Å; L115-L136 HydrophobicContact CD2-CD2 4.26Å; L115-L136 HydrophobicContact CD2-CG 4.34Å; E132-L136 WeakPolarHBondContact O-CB 3.47Å; E132-L136 PolarHBondContact O-N 2.64Å; G133-L136 PolarHBondContact O-N 3.26Å; L136-E139 PolarHBondContact O-N 2.82Å; L136-M140 HydrophobicContact CD1-CG 4.47Å; L136-M140 HydrophobicContact CD1-SD 4.49Å; L136-M140 HydrophobicContact CD2-CE 4.4Å; L136-M140 HydrophobicContact CG-CE 3.88Å; L136-M140 HydrophobicContact CG-SD 4.45Å; L136-M140 WeakPolarHBondContact O-CG 3.5Å; L136-M140 PolarHBondContact O-N 3.25Å
137	A	98	Very high	97.7	Very high	2 Å²	2	53.4 Å²	53.4	2%	0.017	29%	0.285	C	S	.	.	H	α-helix	trans	-65.6	-38.4	176.7	0	0	0	0	0	112.9	L115 G133 E134 R135 M140 A141 C142 F144	L115-A137 HydrophobicContact CB-CB 4.38Å; L115-A137 HydrophobicContact CD2-CB 4.07Å; G133-A137 WeakPolarHBondContact O-CB 3.29Å; G133-A137 PolarHBondContact O-N 2.83Å; E134-A137 PolarHBondContact O-N 2.73Å; R135-A137 VanDerWaalsContact C-N 3.33Å; R135-A137 PolarHBondContact O-N 3.02Å; A137-M140 CarbonylContact O-C 3.56Å; A137-M140 PolarHBondContact O-N 2.86Å; A137-A141 PolarHBondContact O-N 2.95Å; A137-C142 PolarHBondContact O-N 2.98Å; A137-F144 HydrophobicContact CB-CB 3.57Å; A137-F144 HydrophobicContact CB-CG 4.27Å
138	A	97.6	Very high	97.6	Very high	76 Å²	76	48.2 Å²	48.2	63%	0.628	26%	0.261	S	S	*	.	H	α-helix	trans	-62.9	-44.5	173.8	0	0	0	0	0	111.6	E134 R135 M140 A141	E134-A138 WeakPolarHBondContact O-CB 3.32Å; E134-A138 PolarHBondContact O-N 3.21Å; R135-A138 WeakPolarHBondContact O-CB 3.41Å; R135-A138 PolarHBondContact O-N 3.33Å; A138-M140 VanDerWaalsContact C-N 3.29Å; A138-M140 PolarHBondContact O-N 3.26Å; A138-A141 PolarHBondContact O-N 2.82Å; A138-A141 VanDerWaalsContact O-N 3.11Å
139	E	95.6	Very high	97.4	Very high	139 Å²	139	48.4 Å²	48.4	65%	0.65	26%	0.262	S	S	*	.	H	α-helix	trans	-59.6	-38.9	174.5	-72.1	172.2	-168	0	0	112.1	R135 L136 A141	R135-E139 WeakPolarHBondContact O-CG 3.22Å; R135-E139 PolarHBondContact O-N 3.02Å; L136-E139 PolarHBondContact O-N 2.82Å; E139-A141 VanDerWaalsContact C-N 3.3Å; E139-A141 PolarHBondContact O-N 3.28Å
140	M	94.4	Very high	97.2	Very high	13 Å²	13	48 Å²	48	6%	0.064	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-3.7	177.6	-67.2	-169.7	-57.9	0	0	114.3	V95 R99 L113 L115 L136 A137 A138 C142	V95-M140 HydrophobicContact CG1-CE 3.81Å; V95-M140 HydrophobicContact CG1-SD 4.05Å; R99-M140 HydrophobicContact CB-SD 3.74Å; R99-M140 HydrophobicContact CG-CG 4.08Å; R99-M140 HydrophobicContact CG-SD 3.73Å; R99-M140 PolarHBondContact NH1-O 3.27Å; R99-M140 PolarHBondContact NH2-O 3.34Å; L113-M140 HydrophobicContact CD2-CB 4.48Å; L113-M140 HydrophobicContact CD2-CE 4.27Å; L113-M140 HydrophobicContact CD2-SD 4.16Å; L115-M140 HydrophobicContact CB-CE 4.25Å; L115-M140 HydrophobicContact CD1-CE 4.31Å; L115-M140 HydrophobicContact CD2-CE 3.93Å; L115-M140 HydrophobicContact CG-CE 4.39Å; L136-M140 HydrophobicContact CD1-CG 4.47Å; L136-M140 HydrophobicContact CD1-SD 4.49Å; L136-M140 HydrophobicContact CD2-CE 4.4Å; L136-M140 HydrophobicContact CG-CE 3.88Å; L136-M140 HydrophobicContact CG-SD 4.45Å; L136-M140 WeakPolarHBondContact O-CG 3.5Å; L136-M140 PolarHBondContact O-N 3.25Å; A137-M140 CarbonylContact O-C 3.56Å; A137-M140 PolarHBondContact O-N 2.86Å; A138-M140 VanDerWaalsContact C-N 3.29Å; A138-M140 PolarHBondContact O-N 3.26Å; M140-C142 PolarHBondContact O-N 3.46Å
141	A	94.2	Very high	96.9	Very high	80 Å²	80	48.6 Å²	48.6	66%	0.661	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.3	50.2	-173.4	0	0	0	0	0	113	A137 A138 E139	A137-A141 PolarHBondContact O-N 2.95Å; A138-A141 PolarHBondContact O-N 2.82Å; A138-A141 VanDerWaalsContact O-N 3.11Å; E139-A141 VanDerWaalsContact C-N 3.3Å; E139-A141 PolarHBondContact O-N 3.28Å
142	C	96.4	Very high	96.5	Very high	22 Å²	22	44 Å²	44	15%	0.149	25%	0.249	C	C	.	.			trans	-130.8	162.4	-179.9	67.5	0	0	0	0	112	L113 A137 M140	L113-C142 HydrophobicContact CB-CB 3.93Å; L113-C142 HydrophobicContact CD2-CB 4.08Å; L113-C142 HydrophobicContact CG-CB 3.96Å; L113-C142 VanDerWaalsContact O-CB 3.28Å; L113-C142 WeakPolarHBondContact O-CB 3.11Å; A137-C142 PolarHBondContact O-N 2.98Å; M140-C142 PolarHBondContact O-N 3.46Å
143	A	97.9	Very high	95.4	Very high	33 Å²	33	51.8 Å²	51.8	27%	0.273	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	152	172.9	0	0	0	0	0	110.7	V114 L115 Y145 E163	V114-A143 HydrophobicContact CG2-CB 4.32Å; L115-A143 PolarHBondContact N-O 3.26Å; A143-Y145 HydrophobicContact CB-CE2 3.94Å; A143-E163 HydrophobicContact CB-CG 4.25Å
144	F	98.6	Very high	94.6	Very high	39 Å²	39	55.1 Å²	55.1	17%	0.171	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	138.9	179.1	177.1	-121.6	0	0	0	110.9	Y84 L115 T130 E134 A137 E146	Y84-F144 AromaticContact CE1-CE2 3.99Å; Y84-F144 HydrophobicContact CE1-CE2 3.99Å; Y84-F144 WeakPolarHBondContact OH-CE2 2.81Å; Y84-F144 WeakPolarHBondContact OH-CZ 3.12Å; L115-F144 HydrophobicContact CB-CD2 4.12Å; L115-F144 HydrophobicContact CD2-CD2 3.91Å; L115-F144 HydrophobicContact CD2-CE2 4.29Å; L115-F144 HydrophobicContact CG-CD2 3.88Å; L115-F144 HydrophobicContact CG-CE2 4.3Å; L115-F144 WeakPolarHBondContact O-CA 3.37Å; T130-F144 HydrophobicContact CG2-CE1 4.04Å; E134-F144 HydrophobicContact CB-CD1 4.38Å; E134-F144 HydrophobicContact CG-CD1 3.6Å; E134-F144 HydrophobicContact CG-CE1 3.77Å; A137-F144 HydrophobicContact CB-CB 3.57Å; A137-F144 HydrophobicContact CB-CG 4.27Å; F144-E146 HydrophobicContact CE1-CG 3.85Å; F144-E146 HydrophobicContact CE2-CG 4.25Å; F144-E146 HydrophobicContact CZ-CG 3.4Å
145	Y	98.6	Very high	94.2	Very high	49 Å²	49	51.3 Å²	51.3	19%	0.192	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	134.2	172.7	-62.7	-91.1	0	0	0	109.9	V114 L115 V116 G117 A143 V156 E159 A160 E163	V114-Y145 HydrophobicContact CG1-CD2 3.62Å; V114-Y145 HydrophobicContact CG1-CE2 3.92Å; L115-Y145 PolarHBondContact O-N 2.96Å; V116-Y145 CarbonylContact C-O 3.55Å; V116-Y145 VanDerWaalsContact CA-O 3.31Å; V116-Y145 WeakPolarHBondContact CA-O 3.43Å; G117-Y145 PolarHBondContact N-O 3.31Å; A143-Y145 HydrophobicContact CB-CE2 3.94Å; Y145-V156 HydrophobicContact CD1-CG1 3.84Å; Y145-V156 HydrophobicContact CG-CG1 4.37Å; Y145-E159 HydrophobicContact CE1-CB 4.46Å; Y145-E159 HydrophobicContact CE1-CG 4.01Å; Y145-A160 HydrophobicContact CD2-CB 3.82Å; Y145-A160 HydrophobicContact CE2-CB 4.26Å; Y145-A160 HydrophobicContact CG-CB 4.09Å; Y145-E163 HydrophobicContact CE2-CB 4.39Å; Y145-E163 WeakPolarHBondContact OH-CB 3.36Å
146	E	97.8	Very high	94.2	Very high	39 Å²	39	47.2 Å²	47.2	18%	0.182	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	132.2	157.8	-67.5	-159.8	149.7	0	0	109.6	G117 R126 T130 F144	G117-E146 CarbonylContact O-C 3.52Å; G117-E146 VanDerWaalsContact O-CA 3.24Å; G117-E146 WeakPolarHBondContact O-CA 3.3Å; R126-E146 IonicContact CZ-OE1 2.74Å; R126-E146 IonicContact CZ-OE2 3.91Å; R126-E146 IonicContact NH1-OE1 3.99Å; R126-E146 PolarHBondContact NH1-OE1 2.98Å; R126-E146 IonicContact NH1-OE2 3.6Å; R126-E146 PolarHBondContact NH1-OE2 3.11Å; R126-E146 IonicContact NH2-OE1 2.66Å; R126-E146 IonicContact NH2-OE2 3.87Å; R126-E146 PolarHBondContact NH2-OE2 3.49Å; T130-E146 HydrophobicContact CG2-CG 4.28Å; T130-E146 PolarHBondContact OG1-OE1 2.95Å; T130-E146 PolarHBondContact OG1-OE2 3.13Å; F144-E146 HydrophobicContact CE1-CG 3.85Å; F144-E146 HydrophobicContact CE2-CG 4.25Å; F144-E146 HydrophobicContact CZ-CG 3.4Å
147	C	97.4	Very high	94.1	Very high	4 Å²	4	46.3 Å²	46.3	3%	0.027	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	166.5	-179.1	65.9	0	0	0	0	112.1	L22 V116 G117 N118 K119 S120 V156 V157	L22-C147 WeakPolarHBondContact CD2-SG 3.39Å; V116-C147 WeakPolarHBondContact CG1-SG 3.32Å; G117-C147 PolarHBondContact O-N 3.4Å; N118-C147 CarbonylContact C-O 3.53Å; N118-C147 VanDerWaalsContact CA-O 3.28Å; N118-C147 WeakPolarHBondContact CA-O 3.44Å; N118-C147 PolarHBondContact OD1-O 3.21Å; K119-C147 PolarHBondContact N-O 2.93Å; S120-C147 PolarHBondContact N-O 3.4Å; S120-C147 VanDerWaalsContact N-O 3.11Å; S120-C147 PolarHBondContact OG-O 3.21Å; C147-V156 HydrophobicContact CB-CB 4.18Å; C147-V156 HydrophobicContact CB-CG1 3.96Å; C147-V157 HydrophobicContact CB-CG2 4.03Å
148	S	96.9	Very high	94	Very high	4 Å²	4	47.7 Å²	47.7	3%	0.028	31%	0.306	C	S	.	.			trans	-122.8	118.3	168.8	173.6	0	0	0	0	109.3	S120 D121 C150 A151 D152	S120-S148 PolarHBondContact OG-N 3.09Å; D121-S148 VanDerWaalsContact CG-OG 3.25Å; D121-S148 WeakPolarHBondContact OD1-CB 3.27Å; D121-S148 PolarHBondContact OD1-OG 3.11Å; S148-C150 PolarHBondContact O-N 3.27Å; S148-C150 PolarHBondContact OG-N 2.95Å; S148-C150 PolarHBondContact OG-SG 3.28Å; S148-A151 CarbonylContact O-C 3.34Å; S148-A151 PolarHBondContact O-N 2.79Å; S148-A151 PolarHBondContact OG-N 2.88Å; S148-D152 WeakPolarHBondContact O-CB 3.47Å; S148-D152 PolarHBondContact O-N 2.92Å
149	A	94.5	Very high	94	Very high	3 Å²	3	47.2 Å²	47.2	3%	0.025	29%	0.29	C	S	.	.	S	Bend	trans	-60.1	-27.6	171.5	0	0	0	0	0	112.4	A21 L22 R25 F31 N118	A21-A149 HydrophobicContact CB-CB 3.72Å; L22-A149 HydrophobicContact CD2-CB 3.92Å; L22-A149 HydrophobicContact CG-CB 4.27Å; R25-A149 VanDerWaalsContact CZ-O 3.24Å; R25-A149 PolarHBondContact NE-O 3.02Å; R25-A149 PolarHBondContact NH2-O 3.31Å; F31-A149 HydrophobicContact CD2-CB 4.15Å; F31-A149 WeakPolarHBondContact CD2-O 3.49Å; F31-A149 HydrophobicContact CE2-CB 4.18Å; N118-A149 PolarHBondContact OD1-N 3.07Å
150	C	93.6	Very high	94.1	Very high	43 Å²	43	40.7 Å²	40.7	29%	0.291	26%	0.261	S	S	.	.	S	Bend	trans	-88	-30	-178.7	79.5	0	0	0	0	112.8	R25 F31 D121 S148	R25-C150 VanDerWaalsContact NH2-C 3.31Å; R25-C150 PolarHBondContact NH2-O 2.9Å; F31-C150 HydrophobicContact CD1-CB 3.82Å; F31-C150 HydrophobicContact CD2-CB 4.17Å; F31-C150 HydrophobicContact CE1-CB 3.69Å; F31-C150 HydrophobicContact CE2-CB 4.08Å; F31-C150 HydrophobicContact CG-CB 4.05Å; F31-C150 HydrophobicContact CZ-CB 3.85Å; D121-C150 PolarHBondContact OD2-SG 3.24Å; S148-C150 PolarHBondContact O-N 3.27Å; S148-C150 PolarHBondContact OG-N 2.95Å; S148-C150 PolarHBondContact OG-SG 3.28Å
151	A	91.4	Very high	94.3	Very high	53 Å²	53	40.3 Å²	40.3	44%	0.438	26%	0.259	S	S	.	.			trans	-126.2	54.8	-176.1	0	0	0	0	0	112.7	D121 S148 E153	D121-A151 HydrophobicContact CB-CB 4.31Å; S148-A151 CarbonylContact O-C 3.34Å; S148-A151 PolarHBondContact O-N 2.79Å; S148-A151 PolarHBondContact OG-N 2.88Å; A151-E153 PolarHBondContact O-N 2.89Å
152	D	90.3	Very high	94.4	Very high	30 Å²	30	38.3 Å²	38.3	16%	0.16	24%	0.235	C	C	.	.			trans	-89.1	58.8	-178.7	-170.4	37.4	0	0	0	113.2	R25 S148 G154 G155 V156 V157	R25-D152 HydrophobicContact CG-CB 4.2Å; S148-D152 WeakPolarHBondContact O-CB 3.47Å; S148-D152 PolarHBondContact O-N 2.92Å; D152-G154 VanDerWaalsContact C-N 3.28Å; D152-G154 PolarHBondContact O-N 3.26Å; D152-G155 PolarHBondContact OD1-N 2.78Å; D152-V156 PolarHBondContact OD1-N 3Å; D152-V157 HydrophobicContact CB-CG2 4.05Å; D152-V157 PolarHBondContact OD1-N 2.81Å; D152-V157 WeakPolarHBondContact OD2-CB 3.19Å; D152-V157 WeakPolarHBondContact OD2-CG2 3.29Å; D152-V157 PolarHBondContact OD2-N 3.26Å
153	E	75.4	Confident	94.5	Very high	196 Å²	196	40 Å²	40	92%	0.916	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-27.5	-178.9	-64.4	-173	177.2	0	0	112.9	A151	A151-E153 PolarHBondContact O-N 2.89Å
154	G	81.7	Confident	94.5	Very high	70 Å²	70	38.5 Å²	38.5	72%	0.722	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.1	-4.3	-179.4	0	0	0	0	0	115.3	D152 V156	D152-G154 VanDerWaalsContact C-N 3.28Å; D152-G154 PolarHBondContact O-N 3.26Å; G154-V156 VanDerWaalsContact C-N 3.25Å; G154-V156 PolarHBondContact O-N 2.87Å
155	G	92	Very high	94.3	Very high	28 Å²	28	36.6 Å²	36.6	29%	0.289	22%	0.22	S	C	.	.			trans	66.1	26.2	-175.9	0	0	0	0	0	113.9	D152 V157 A158 E159	D152-G155 PolarHBondContact OD1-N 2.78Å; G155-V157 VanDerWaalsContact C-N 3.27Å; G155-V157 PolarHBondContact O-N 2.81Å; G155-A158 PolarHBondContact O-N 2.79Å; G155-E159 PolarHBondContact O-N 2.83Å; G155-E159 VanDerWaalsContact O-N 3.08Å
156	V	96.7	Very high	94.2	Very high	48 Å²	48	37 Å²	37	29%	0.291	22%	0.221	S	C	.	.	H	α-helix	trans	-64.9	-36.2	-177.8	-176.5	0	0	0	0	110.3	Y145 C147 D152 G154 A158 E159 A160	Y145-V156 HydrophobicContact CD1-CG1 3.84Å; Y145-V156 HydrophobicContact CG-CG1 4.37Å; C147-V156 HydrophobicContact CB-CB 4.18Å; C147-V156 HydrophobicContact CB-CG1 3.96Å; D152-V156 PolarHBondContact OD1-N 3Å; G154-V156 VanDerWaalsContact C-N 3.25Å; G154-V156 PolarHBondContact O-N 2.87Å; V156-A158 VanDerWaalsContact C-N 3.34Å; V156-A158 PolarHBondContact O-N 3.11Å; V156-E159 PolarHBondContact O-N 2.92Å; V156-A160 PolarHBondContact O-N 2.84Å
157	V	97.2	Very high	94.1	Very high	2 Å²	2	36.8 Å²	36.8	1%	0.012	22%	0.22	C	C	.	.	H	α-helix	trans	-59.7	-48.3	175.3	179.8	0	0	0	0	109.8	L22 R25 F26 C147 D152 G155 E159 A160 F161	L22-V157 HydrophobicContact CB-CG1 4.39Å; L22-V157 HydrophobicContact CD2-CB 4.45Å; L22-V157 HydrophobicContact CD2-CG1 3.98Å; L22-V157 HydrophobicContact CD2-CG2 3.63Å; L22-V157 WeakPolarHBondContact O-CG1 3.19Å; R25-V157 HydrophobicContact CB-CG1 4.37Å; R25-V157 HydrophobicContact CG-CB 4.19Å; R25-V157 HydrophobicContact CG-CG1 4.19Å; R25-V157 HydrophobicContact CG-CG2 4.12Å; F26-V157 HydrophobicContact CB-CG1 4.19Å; C147-V157 HydrophobicContact CB-CG2 4.03Å; D152-V157 HydrophobicContact CB-CG2 4.05Å; D152-V157 PolarHBondContact OD1-N 2.81Å; D152-V157 WeakPolarHBondContact OD2-CB 3.19Å; D152-V157 WeakPolarHBondContact OD2-CG2 3.29Å; D152-V157 PolarHBondContact OD2-N 3.26Å; G155-V157 VanDerWaalsContact C-N 3.27Å; G155-V157 PolarHBondContact O-N 2.81Å; V157-E159 VanDerWaalsContact C-N 3.31Å; V157-E159 PolarHBondContact O-N 3.27Å; V157-A160 PolarHBondContact O-N 3.38Å; V157-F161 HydrophobicContact CG1-CD2 4.29Å; V157-F161 HydrophobicContact CG1-CE2 4.12Å; V157-F161 WeakPolarHBondContact O-CD2 3.38Å; V157-F161 PolarHBondContact O-N 3.32Å
158	A	96.3	Very high	93.9	Very high	30 Å²	30	36.7 Å²	36.7	25%	0.248	22%	0.219	C	C	.	.	H	α-helix	trans	-61.6	-40.4	178.8	0	0	0	0	0	112.3	F26 G155 V156 A160 F161 H162	F26-A158 HydrophobicContact CD2-CB 4.14Å; F26-A158 HydrophobicContact CE2-CB 4.32Å; G155-A158 PolarHBondContact O-N 2.79Å; V156-A158 VanDerWaalsContact C-N 3.34Å; V156-A158 PolarHBondContact O-N 3.11Å; A158-A160 PolarHBondContact O-N 3.44Å; A158-F161 PolarHBondContact O-N 2.91Å; A158-H162 WeakPolarHBondContact O-CB 3.47Å; A158-H162 PolarHBondContact O-N 2.7Å
159	E	97.2	Very high	93.7	Very high	66 Å²	66	38.7 Å²	38.7	31%	0.308	23%	0.226	S	C	.	.	H	α-helix	trans	-64.4	-38.7	178.9	-170.8	54.5	-153.8	0	0	112.5	Y145 G155 V156 V157 F161 H162 E163 R166	Y145-E159 HydrophobicContact CE1-CB 4.46Å; Y145-E159 HydrophobicContact CE1-CG 4.01Å; G155-E159 PolarHBondContact O-N 2.83Å; G155-E159 VanDerWaalsContact O-N 3.08Å; V156-E159 PolarHBondContact O-N 2.92Å; V157-E159 VanDerWaalsContact C-N 3.31Å; V157-E159 PolarHBondContact O-N 3.27Å; E159-F161 VanDerWaalsContact C-N 3.35Å; E159-F161 PolarHBondContact O-N 2.74Å; E159-H162 PolarHBondContact O-N 3.46Å; E159-E163 VanDerWaalsContact O-CB 3.3Å; E159-E163 WeakPolarHBondContact O-CB 3.49Å; E159-E163 PolarHBondContact O-N 2.66Å; E159-R166 IonicContact OE1-CZ 2.63Å; E159-R166 IonicContact OE1-NH1 2.75Å; E159-R166 PolarHBondContact OE1-NH1 3.48Å; E159-R166 IonicContact OE1-NH2 2.77Å; E159-R166 PolarHBondContact OE1-NH2 3.26Å; E159-R166 IonicContact OE2-NH1 2.78Å; E159-R166 IonicContact OE2-NH2 3.22Å
160	A	98.2	Very high	93.5	Very high	3 Å²	3	44.9 Å²	44.9	3%	0.025	25%	0.249	C	C	.	.	H	α-helix	trans	-60.1	-41.9	175.9	0	0	0	0	0	112.7	V114 V116 Y145 V156 V157 A158 L164	V114-A160 HydrophobicContact CG1-CB 4.3Å; V116-A160 HydrophobicContact CG2-CB 4.22Å; Y145-A160 HydrophobicContact CD2-CB 3.82Å; Y145-A160 HydrophobicContact CE2-CB 4.26Å; Y145-A160 HydrophobicContact CG-CB 4.09Å; V156-A160 PolarHBondContact O-N 2.84Å; V157-A160 PolarHBondContact O-N 3.38Å; A158-A160 PolarHBondContact O-N 3.44Å; A160-L164 PolarHBondContact O-N 3.05Å
161	F	97.9	Very high	93.2	Very high	5 Å²	5	44.3 Å²	44.3	2%	0.022	24%	0.241	C	C	.	.	H	α-helix	trans	-71.3	-39.2	176.1	-80	-97.2	0	0	0	112.2	L9 V11 V23 F26 I58 I81 V157 A158 E159 C165	L9-F161 HydrophobicContact CD1-CD1 4.01Å; V11-F161 HydrophobicContact CG2-CE1 4.2Å; V11-F161 HydrophobicContact CG2-CZ 4.21Å; V23-F161 HydrophobicContact CG2-CE1 4.48Å; V23-F161 HydrophobicContact CG2-CZ 4.02Å; F26-F161 HydrophobicContact CB-CD2 4.02Å; F26-F161 HydrophobicContact CB-CE2 4.03Å; F26-F161 HydrophobicContact CB-CG 4.43Å; F26-F161 HydrophobicContact CB-CZ 4.46Å; F26-F161 HydrophobicContact CD1-CB 4.23Å; F26-F161 AromaticContact CD1-CD1 3.82Å; F26-F161 HydrophobicContact CD1-CD1 3.82Å; F26-F161 HydrophobicContact CD1-CD2 4.3Å; F26-F161 HydrophobicContact CD1-CE1 4.23Å; F26-F161 AromaticContact CD1-CG 3.86Å; F26-F161 HydrophobicContact CD1-CG 3.86Å; F26-F161 HydrophobicContact CD2-CB 3.95Å; F26-F161 HydrophobicContact CD2-CD2 4.18Å; F26-F161 HydrophobicContact CD2-CG 4.1Å; F26-F161 HydrophobicContact CE1-CB 4.02Å; F26-F161 HydrophobicContact CE1-CD1 4.01Å; F26-F161 HydrophobicContact CE1-CG 4.09Å; F26-F161 HydrophobicContact CE2-CB 3.71Å; F26-F161 HydrophobicContact CE2-CG 4.3Å; F26-F161 HydrophobicContact CG-CB 4.19Å; F26-F161 HydrophobicContact CG-CD1 4.26Å; F26-F161 AromaticContact CG-CD2 3.9Å; F26-F161 HydrophobicContact CG-CD2 3.9Å; F26-F161 HydrophobicContact CG-CE2 4.33Å; F26-F161 AromaticContact CG-CG 3.86Å; F26-F161 HydrophobicContact CG-CG 3.86Å; F26-F161 HydrophobicContact CZ-CB 3.74Å; F26-F161 HydrophobicContact CZ-CG 4.28Å; I58-F161 HydrophobicContact CD1-CD1 4.1Å; I58-F161 HydrophobicContact CD1-CE1 4.08Å; I58-F161 HydrophobicContact CG2-CE1 3.93Å; I81-F161 HydrophobicContact CD1-CD1 3.66Å; I81-F161 HydrophobicContact CD1-CD2 3.97Å; I81-F161 HydrophobicContact CD1-CE1 3.52Å; I81-F161 HydrophobicContact CD1-CE2 3.85Å; I81-F161 HydrophobicContact CD1-CG 3.89Å; I81-F161 HydrophobicContact CD1-CZ 3.63Å; V157-F161 HydrophobicContact CG1-CD2 4.29Å; V157-F161 HydrophobicContact CG1-CE2 4.12Å; V157-F161 WeakPolarHBondContact O-CD2 3.38Å; V157-F161 PolarHBondContact O-N 3.32Å; A158-F161 PolarHBondContact O-N 2.91Å; E159-F161 VanDerWaalsContact C-N 3.35Å; E159-F161 PolarHBondContact O-N 2.74Å; F161-C165 PolarHBondContact O-N 3.4Å; F161-C165 VanDerWaalsContact O-N 3.08Å; F161-C165 PolarHBondContact O-SG 3.34Å; F161-C165 VanDerWaalsContact O-SG 3.37Å
162	H	97.1	Very high	92.9	Very high	37 Å²	37	45.9 Å²	45.9	17%	0.171	24%	0.238	C	C	.	.	H	α-helix	trans	-66.3	-43.4	177.2	-69.4	170.5	0	0	0	112	F26 I49 A158 E159 L164 C165 R166	F26-H162 AromaticContact CE2-CD2 3.91Å; F26-H162 AromaticContact CE2-NE2 3.71Å; I49-H162 HydrophobicContact CD1-CB 4.45Å; I49-H162 HydrophobicContact CG2-CB 4.37Å; A158-H162 WeakPolarHBondContact O-CB 3.47Å; A158-H162 PolarHBondContact O-N 2.7Å; E159-H162 PolarHBondContact O-N 3.46Å; H162-L164 VanDerWaalsContact C-N 3.34Å; H162-L164 PolarHBondContact O-N 3.29Å; H162-C165 WeakPolarHBondContact O-CA 3.41Å; H162-C165 VanDerWaalsContact O-CB 3.28Å; H162-C165 WeakPolarHBondContact O-CB 3.36Å; H162-C165 PolarHBondContact O-N 2.9Å; H162-C165 VanDerWaalsContact O-N 3.08Å; H162-R166 WeakPolarHBondContact O-CG 3.3Å; H162-R166 PolarHBondContact O-N 3.1Å
163	E	97.5	Very high	92.7	Very high	58 Å²	58	47 Å²	47	27%	0.271	25%	0.252	S	S	.	.	H	α-helix	trans	-61.6	-44.1	178.8	-177.4	55.6	-155.7	0	0	111.4	A143 Y145 E159 C165 R166 E167	A143-E163 HydrophobicContact CB-CG 4.25Å; Y145-E163 HydrophobicContact CE2-CB 4.39Å; Y145-E163 WeakPolarHBondContact OH-CB 3.36Å; E159-E163 VanDerWaalsContact O-CB 3.3Å; E159-E163 WeakPolarHBondContact O-CB 3.49Å; E159-E163 PolarHBondContact O-N 2.66Å; E163-C165 VanDerWaalsContact C-N 3.3Å; E163-C165 PolarHBondContact O-N 3.08Å; E163-R166 WeakPolarHBondContact O-CB 3.25Å; E163-R166 PolarHBondContact O-N 2.99Å; E163-R166 IonicContact OE2-CZ 3.21Å; E163-R166 IonicContact OE2-NH1 2.77Å; E163-R166 PolarHBondContact OE2-NH1 2.88Å; E163-E167 PolarHBondContact O-N 3.01Å
164	L	97.7	Very high	93	Very high	1 Å²	1	42 Å²	42	1%	0.005	23%	0.234	C	C	.	.	H	α-helix	trans	-59.9	-41.5	173.2	-176.6	57.7	0	0	0	112	L9 F80 I81 P112 V114 A160 H162 E167 V168	L9-L164 HydrophobicContact CD1-CD2 4.37Å; L9-L164 HydrophobicContact CD2-CD2 3.68Å; L9-L164 HydrophobicContact CD2-CG 3.78Å; L9-L164 HydrophobicContact CG-CD2 4.43Å; F80-L164 WeakPolarHBondContact O-CD2 3.14Å; I81-L164 HydrophobicContact CD1-CD2 4.13Å; I81-L164 HydrophobicContact CG1-CD2 3.44Å; I81-L164 VanDerWaalsContact CG1-CD2 3.44Å; P112-L164 HydrophobicContact CB-CD1 3.67Å; V114-L164 HydrophobicContact CG2-CB 3.77Å; V114-L164 HydrophobicContact CG2-CD1 4.22Å; V114-L164 HydrophobicContact CG2-CG 4.47Å; A160-L164 PolarHBondContact O-N 3.05Å; H162-L164 VanDerWaalsContact C-N 3.34Å; H162-L164 PolarHBondContact O-N 3.29Å; L164-E167 PolarHBondContact O-N 3.22Å; L164-V168 HydrophobicContact CD1-CG2 4.43Å; L164-V168 VanDerWaalsContact O-CG2 3.32Å; L164-V168 WeakPolarHBondContact O-CG2 3.22Å; L164-V168 PolarHBondContact O-N 3.41Å
165	C	96.1	Very high	92.8	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-61	-44.5	175.2	-79.4	0	0	0	0	112.7	I49 M56 F161 H162 E163 E167 V168 R169	I49-C165 HydrophobicContact CD1-CB 3.66Å; M56-C165 WeakPolarHBondContact CG-SG 3.34Å; M56-C165 PolarHBondContact SD-SG 2.94Å; F161-C165 PolarHBondContact O-N 3.4Å; F161-C165 VanDerWaalsContact O-N 3.08Å; F161-C165 PolarHBondContact O-SG 3.34Å; F161-C165 VanDerWaalsContact O-SG 3.37Å; H162-C165 WeakPolarHBondContact O-CA 3.41Å; H162-C165 VanDerWaalsContact O-CB 3.28Å; H162-C165 WeakPolarHBondContact O-CB 3.36Å; H162-C165 PolarHBondContact O-N 2.9Å; H162-C165 VanDerWaalsContact O-N 3.08Å; E163-C165 VanDerWaalsContact C-N 3.3Å; E163-C165 PolarHBondContact O-N 3.08Å; C165-E167 VanDerWaalsContact C-N 3.29Å; C165-E167 PolarHBondContact O-N 2.98Å; C165-V168 PolarHBondContact O-N 2.93Å; C165-R169 WeakPolarHBondContact O-CB 3.32Å; C165-R169 VanDerWaalsContact O-CG 3.31Å; C165-R169 WeakPolarHBondContact O-CG 3.42Å; C165-R169 PolarHBondContact O-N 2.95Å
166	R	95.4	Very high	91.9	Very high	58 Å²	58	44.7 Å²	44.7	22%	0.219	23%	0.23	C	C	.	.	H	α-helix	trans	-58.4	-46	175.3	-67	-173.6	-162.5	103	1.9	110.1	I49 D50 E159 H162 E163 R169 R170	I49-R166 HydrophobicContact CG2-CG 3.94Å; D50-R166 IonicContact OD1-CZ 3.27Å; D50-R166 IonicContact OD1-NE 2.82Å; D50-R166 PolarHBondContact OD1-NE 3.19Å; D50-R166 VanDerWaalsContact OD1-NE 3.11Å; D50-R166 IonicContact OD1-NH2 3.48Å; D50-R166 WeakPolarHBondContact OD2-CD 3.46Å; D50-R166 WeakPolarHBondContact OD2-CG 3.42Å; D50-R166 IonicContact OD2-NE 3.26Å; D50-R166 PolarHBondContact OD2-NE 3.39Å; D50-R166 VanDerWaalsContact OD2-NE 3.08Å; E159-R166 IonicContact OE1-CZ 2.63Å; E159-R166 IonicContact OE1-NH1 2.75Å; E159-R166 PolarHBondContact OE1-NH1 3.48Å; E159-R166 IonicContact OE1-NH2 2.77Å; E159-R166 PolarHBondContact OE1-NH2 3.26Å; E159-R166 IonicContact OE2-NH1 2.78Å; E159-R166 IonicContact OE2-NH2 3.22Å; H162-R166 WeakPolarHBondContact O-CG 3.3Å; H162-R166 PolarHBondContact O-N 3.1Å; E163-R166 WeakPolarHBondContact O-CB 3.25Å; E163-R166 PolarHBondContact O-N 2.99Å; E163-R166 IonicContact OE2-CZ 3.21Å; E163-R166 IonicContact OE2-NH1 2.77Å; E163-R166 PolarHBondContact OE2-NH1 2.88Å; R166-R169 PolarHBondContact O-N 2.87Å; R166-R170 WeakPolarHBondContact O-CB 3.26Å; R166-R170 PolarHBondContact O-N 3.42Å
167	E	94.8	Very high	90.8	Very high	33 Å²	33	49.7 Å²	49.7	15%	0.154	25%	0.248	C	C	.	.	H	α-helix	trans	-65.7	-42.4	-178.1	-176.4	58.3	-167.9	0	0	112.6	P112 E163 L164 C165 R170 R171	P112-E167 HydrophobicContact CB-CB 4.37Å; P112-E167 HydrophobicContact CB-CG 3.87Å; P112-E167 HydrophobicContact CG-CG 4.28Å; E163-E167 PolarHBondContact O-N 3.01Å; L164-E167 PolarHBondContact O-N 3.22Å; C165-E167 VanDerWaalsContact C-N 3.29Å; C165-E167 PolarHBondContact O-N 2.98Å; E167-R170 VanDerWaalsContact CD-NH2 3.28Å; E167-R170 PolarHBondContact O-N 2.74Å; E167-R170 IonicContact OE1-CZ 3.99Å; E167-R170 IonicContact OE1-NE 3.08Å; E167-R170 IonicContact OE1-NH2 2.71Å; E167-R170 PolarHBondContact OE1-NH2 3.37Å; E167-R170 IonicContact OE2-CZ 3.52Å; E167-R170 VanDerWaalsContact OE2-CZ 3.3Å; E167-R170 IonicContact OE2-NE 2.92Å; E167-R170 PolarHBondContact OE2-NE 2.99Å; E167-R170 IonicContact OE2-NH2 3.43Å; E167-R170 PolarHBondContact OE2-NH2 2.99Å; E167-R171 WeakPolarHBondContact O-CG 3.28Å; E167-R171 PolarHBondContact O-N 3.35Å; E167-R171 VanDerWaalsContact O-N 3.08Å; E167-R171 IonicContact OE1-CZ 2.79Å; E167-R171 IonicContact OE1-NE 2.71Å; E167-R171 PolarHBondContact OE1-NE 2.99Å; E167-R171 IonicContact OE1-NH2 3.08Å; E167-R171 PolarHBondContact OE1-NH2 3.13Å
168	V	94.4	Very high	89.5	Confident	2 Å²	2	52.4 Å²	52.4	1%	0.012	27%	0.27	C	S	.	.	H	α-helix	trans	-59.5	-48.9	173.2	172.2	0	0	0	0	110.9	V7 L9 D78 P112 L164 C165 R170 R171 K172	V7-V168 HydrophobicContact CG1-CB 4.03Å; V7-V168 HydrophobicContact CG1-CG1 3.85Å; V7-V168 HydrophobicContact CG1-CG2 4.13Å; V7-V168 HydrophobicContact CG2-CG1 4.08Å; L9-V168 HydrophobicContact CD2-CG2 4.4Å; D78-V168 HydrophobicContact CB-CG1 3.68Å; D78-V168 HydrophobicContact CB-CG2 4.29Å; P112-V168 HydrophobicContact CB-CG2 3.69Å; P112-V168 HydrophobicContact CG-CB 4.44Å; P112-V168 HydrophobicContact CG-CG2 3.78Å; L164-V168 HydrophobicContact CD1-CG2 4.43Å; L164-V168 VanDerWaalsContact O-CG2 3.32Å; L164-V168 WeakPolarHBondContact O-CG2 3.22Å; L164-V168 PolarHBondContact O-N 3.41Å; C165-V168 PolarHBondContact O-N 2.93Å; V168-R170 PolarHBondContact O-N 2.87Å; V168-R171 PolarHBondContact O-N 2.93Å; V168-K172 HydrophobicContact CG1-CD 4.13Å; V168-K172 HydrophobicContact CG1-CG 4.43Å; V168-K172 WeakPolarHBondContact O-CG 3.45Å; V168-K172 PolarHBondContact O-N 3.2Å
169	R	91.6	Very high	88.1	Confident	47 Å²	47	60.8 Å²	60.8	18%	0.177	30%	0.295	C	S	.	.	H	α-helix	trans	-60.3	-44.9	180	-75.5	169.5	62.7	-154	-5.5	111.3	V7 I49 E52 C165 R166 R171 K172 A173	V7-R169 HydrophobicContact CG2-CG 4.25Å; I49-R169 PolarHBondContact O-NH1 3.19Å; I49-R169 VanDerWaalsContact O-NH1 3.13Å; E52-R169 IonicContact OE1-NH2 3.07Å; E52-R169 IonicContact OE2-CZ 3.68Å; E52-R169 IonicContact OE2-NE 2.7Å; E52-R169 IonicContact OE2-NH2 3.86Å; E52-R169 PolarHBondContact OE2-NH2 3.11Å; C165-R169 WeakPolarHBondContact O-CB 3.32Å; C165-R169 VanDerWaalsContact O-CG 3.31Å; C165-R169 WeakPolarHBondContact O-CG 3.42Å; C165-R169 PolarHBondContact O-N 2.95Å; R166-R169 PolarHBondContact O-N 2.87Å; R169-R171 VanDerWaalsContact C-N 3.35Å; R169-R171 PolarHBondContact O-N 3Å; R169-K172 PolarHBondContact O-N 2.79Å; R169-A173 WeakPolarHBondContact O-CB 3.27Å; R169-A173 PolarHBondContact O-N 3.07Å
170	R	90.3	Very high	86.7	Confident	132 Å²	132	66.8 Å²	66.8	50%	0.498	32%	0.315	S	S	.	.	H	α-helix	trans	-57.1	-46.7	177.5	-169.1	-175	69.7	84.2	-0.9	111.3	R166 E167 V168 A173 V174	R166-R170 WeakPolarHBondContact O-CB 3.26Å; R166-R170 PolarHBondContact O-N 3.42Å; E167-R170 VanDerWaalsContact CD-NH2 3.28Å; E167-R170 PolarHBondContact O-N 2.74Å; E167-R170 IonicContact OE1-CZ 3.99Å; E167-R170 IonicContact OE1-NE 3.08Å; E167-R170 IonicContact OE1-NH2 2.71Å; E167-R170 PolarHBondContact OE1-NH2 3.37Å; E167-R170 IonicContact OE2-CZ 3.52Å; E167-R170 VanDerWaalsContact OE2-CZ 3.3Å; E167-R170 IonicContact OE2-NE 2.92Å; E167-R170 PolarHBondContact OE2-NE 2.99Å; E167-R170 IonicContact OE2-NH2 3.43Å; E167-R170 PolarHBondContact OE2-NH2 2.99Å; V168-R170 PolarHBondContact O-N 2.87Å; R170-A173 PolarHBondContact O-N 3.07Å; R170-V174 WeakPolarHBondContact O-CG2 3.37Å; R170-V174 PolarHBondContact O-N 3.32Å; R170-V174 VanDerWaalsContact O-N 3.1Å
171	R	88.1	Confident	85.3	Confident	31 Å²	31	76.1 Å²	76.1	12%	0.117	35%	0.35	C	S	.	.	H	α-helix	trans	-68.3	-42.4	179.4	-66.8	-167.8	-162.8	-169.7	-0.9	112.8	N110 V111 E167 V168 R169 A173 V174 Q175	N110-R171 PolarHBondContact O-NH1 3.44Å; N110-R171 VanDerWaalsContact OD1-CZ 3.25Å; N110-R171 PolarHBondContact OD1-NH1 3.04Å; N110-R171 PolarHBondContact OD1-NH2 3.01Å; N110-R171 VanDerWaalsContact OD1-NH2 3.11Å; V111-R171 VanDerWaalsContact CA-NH1 3.3Å; V111-R171 PolarHBondContact O-NH1 2.83Å; E167-R171 WeakPolarHBondContact O-CG 3.28Å; E167-R171 PolarHBondContact O-N 3.35Å; E167-R171 VanDerWaalsContact O-N 3.08Å; E167-R171 IonicContact OE1-CZ 2.79Å; E167-R171 IonicContact OE1-NE 2.71Å; E167-R171 PolarHBondContact OE1-NE 2.99Å; E167-R171 IonicContact OE1-NH2 3.08Å; E167-R171 PolarHBondContact OE1-NH2 3.13Å; V168-R171 PolarHBondContact O-N 2.93Å; R169-R171 VanDerWaalsContact C-N 3.35Å; R169-R171 PolarHBondContact O-N 3Å; R171-A173 VanDerWaalsContact C-N 3.29Å; R171-A173 PolarHBondContact O-N 2.68Å; R171-V174 PolarHBondContact O-N 3.45Å; R171-Q175 WeakPolarHBondContact O-CG 3.32Å; R171-Q175 PolarHBondContact O-N 3.35Å
172	K	86.3	Confident	84.1	Confident	87 Å²	87	78.7 Å²	78.7	38%	0.378	37%	0.368	S	S	.	.	H	α-helix	trans	-59.2	-40.4	174.5	-73.7	-175	179.5	-177.4	0	111.3	E6 D78 V168 R169 G176	E6-K172 PolarHBondContact O-NZ 2.91Å; D78-K172 WeakPolarHBondContact OD1-CE 3.46Å; D78-K172 IonicContact OD1-NZ 3.97Å; D78-K172 PolarHBondContact OD1-NZ 2.66Å; D78-K172 IonicContact OD2-NZ 3.54Å; D78-K172 PolarHBondContact OD2-NZ 3.16Å; V168-K172 HydrophobicContact CG1-CD 4.13Å; V168-K172 HydrophobicContact CG1-CG 4.43Å; V168-K172 WeakPolarHBondContact O-CG 3.45Å; V168-K172 PolarHBondContact O-N 3.2Å; R169-K172 PolarHBondContact O-N 2.79Å; K172-G176 PolarHBondContact O-N 3.28Å
173	A	85.2	Confident	83	Confident	54 Å²	54	79.9 Å²	79.9	45%	0.446	38%	0.381	S	S	.	.	H	α-helix	trans	-65.1	-43	177.1	0	0	0	0	0	112.9	R169 R170 R171 G176 K177	R169-A173 WeakPolarHBondContact O-CB 3.27Å; R169-A173 PolarHBondContact O-N 3.07Å; R170-A173 PolarHBondContact O-N 3.07Å; R171-A173 VanDerWaalsContact C-N 3.29Å; R171-A173 PolarHBondContact O-N 2.68Å; A173-G176 PolarHBondContact O-N 2.92Å; A173-K177 WeakPolarHBondContact O-CG 3.4Å; A173-K177 PolarHBondContact O-N 2.91Å
174	V	82.5	Confident	81.8	Confident	89 Å²	89	80.8 Å²	80.8	54%	0.539	39%	0.39	S	S	.	.	H	α-helix	trans	-64	-46.6	177.1	173	0	0	0	0	111.2	R170 R171 G176 K177 A178	R170-V174 WeakPolarHBondContact O-CG2 3.37Å; R170-V174 PolarHBondContact O-N 3.32Å; R170-V174 VanDerWaalsContact O-N 3.1Å; R171-V174 PolarHBondContact O-N 3.45Å; V174-G176 VanDerWaalsContact C-N 3.35Å; V174-G176 PolarHBondContact O-N 3.31Å; V174-K177 PolarHBondContact O-N 3.06Å; V174-A178 PolarHBondContact O-N 3.45Å
175	Q	76.6	Confident	80.6	Confident	120 Å²	120	84.8 Å²	84.8	56%	0.561	42%	0.415	S	S	*	.	H	α-helix	trans	-62.6	-41.2	177.7	-69.6	178.6	11.4	0	0	111.9	R171 K177 A178 R179	R171-Q175 WeakPolarHBondContact O-CG 3.32Å; R171-Q175 PolarHBondContact O-N 3.35Å; Q175-K177 PolarHBondContact O-N 2.95Å; Q175-A178 PolarHBondContact O-N 3.46Å; Q175-R179 WeakPolarHBondContact O-CB 3.33Å; Q175-R179 PolarHBondContact O-N 3.42Å
176	G	73.7	Confident	79.6	Confident	36 Å²	36	90.4 Å²	90.4	37%	0.371	44%	0.441	S	S	.	.	H	α-helix	trans	-59.9	-43.4	174.9	0	0	0	0	0	112.9	K172 A173 V174 R180	K172-G176 PolarHBondContact O-N 3.28Å; A173-G176 PolarHBondContact O-N 2.92Å; V174-G176 VanDerWaalsContact C-N 3.35Å; V174-G176 PolarHBondContact O-N 3.31Å; G176-R180 WeakPolarHBondContact O-CG 3.46Å; G176-R180 PolarHBondContact O-N 3.17Å; G176-R180 VanDerWaalsContact O-N 3.1Å
177	K	72.7	Confident	78.7	Confident	153 Å²	153	91.7 Å²	91.7	67%	0.665	46%	0.455	S	S	*	.	H	α-helix	trans	-65.4	-43.6	176	-72.8	178.9	-177	178.9	0	112	A173 V174 Q175 R180 R181	A173-K177 WeakPolarHBondContact O-CG 3.4Å; A173-K177 PolarHBondContact O-N 2.91Å; V174-K177 PolarHBondContact O-N 3.06Å; Q175-K177 PolarHBondContact O-N 2.95Å; K177-R180 PolarHBondContact O-N 3.23Å; K177-R181 WeakPolarHBondContact O-CG 3.37Å; K177-R181 PolarHBondContact O-N 3.25Å
178	A	69.3	Low	77.8	Confident	58 Å²	58	96.9 Å²	96.9	48%	0.479	48%	0.477	S	S	.	.	H	α-helix	trans	-61.3	-44.5	177.4	0	0	0	0	0	112	V174 Q175 R180 R181 S182	V174-A178 PolarHBondContact O-N 3.45Å; Q175-A178 PolarHBondContact O-N 3.46Å; A178-R180 PolarHBondContact O-N 2.98Å; A178-R181 PolarHBondContact O-N 3.04Å; A178-S182 PolarHBondContact O-N 3.45Å
179	R	67.4	Low	76.9	Confident	207 Å²	207	103.1 Å²	103.1	78%	0.781	51%	0.506	S	S	*	.	H	α-helix	trans	-64.3	-38.6	178.1	-156.5	173.4	99.7	159.4	5.2	112.5	Q175 S183	Q175-R179 WeakPolarHBondContact O-CB 3.33Å; Q175-R179 PolarHBondContact O-N 3.42Å; R179-S183 PolarHBondContact O-N 3.03Å; R179-S183 PolarHBondContact O-OG 2.93Å
180	R	69.1	Low	76.2	Confident	192 Å²	192	103.6 Å²	103.6	73%	0.725	52%	0.52	S	S	*	.	H	α-helix	trans	-65.9	-41.1	174.3	-75.3	177.4	66.6	126.7	0.4	112.8	G176 K177 A178 S183 T184	G176-R180 WeakPolarHBondContact O-CG 3.46Å; G176-R180 PolarHBondContact O-N 3.17Å; G176-R180 VanDerWaalsContact O-N 3.1Å; K177-R180 PolarHBondContact O-N 3.23Å; A178-R180 PolarHBondContact O-N 2.98Å; R180-S183 WeakPolarHBondContact CA-OG 3.42Å; R180-S183 PolarHBondContact O-OG 3.48Å; R180-T184 WeakPolarHBondContact O-CB 3.26Å; R180-T184 PolarHBondContact O-N 3.34Å; R180-T184 VanDerWaalsContact O-N 3.09Å; R180-T184 PolarHBondContact O-OG1 3.03Å
181	R	67.7	Low	75.8	Confident	199 Å²	199	101.6 Å²	101.6	75%	0.751	52%	0.518	S	S	*	.	H	α-helix	trans	-64.3	-47.3	175.2	-70.9	179.3	103.2	177.8	5.7	111.1	K177 A178 T184 T185	K177-R181 WeakPolarHBondContact O-CG 3.37Å; K177-R181 PolarHBondContact O-N 3.25Å; A178-R181 PolarHBondContact O-N 3.04Å; R181-T184 PolarHBondContact O-N 3.23Å; R181-T185 PolarHBondContact O-N 3.01Å; R181-T185 PolarHBondContact O-OG1 2.88Å
182	S	72.8	Confident	75.4	Confident	59 Å²	59	105.4 Å²	105.4	41%	0.413	54%	0.541	S	S	.	.	H	α-helix	trans	-58	-50.7	177.5	179.2	0	0	0	0	112	A178 T184 T185 H186	A178-S182 PolarHBondContact O-N 3.45Å; S182-T184 VanDerWaalsContact C-N 3.35Å; S182-T184 PolarHBondContact O-N 3.27Å; S182-T185 PolarHBondContact O-N 3.35Å; S182-H186 PolarHBondContact O-N 3.35Å; S182-H186 PolarHBondContact O-ND1 3.12Å; S182-H186 PolarHBondContact OG-CE1 3.25Å; S182-H186 VanDerWaalsContact OG-CE1 3.3Å; S182-H186 PolarHBondContact OG-ND1 3.3Å
183	S	75	Confident	75.1	Confident	62 Å²	62	108.2 Å²	108.2	43%	0.434	55%	0.553	S	S	.	*	H	α-helix	trans	-59.5	-41.2	177.9	45.5	0	0	0	0	113.1	R179 R180 T185 H186 V187	R179-S183 PolarHBondContact O-N 3.03Å; R179-S183 PolarHBondContact O-OG 2.93Å; R180-S183 WeakPolarHBondContact CA-OG 3.42Å; R180-S183 PolarHBondContact O-OG 3.48Å; S183-T185 PolarHBondContact O-N 2.82Å; S183-H186 PolarHBondContact O-N 2.67Å; S183-V187 WeakPolarHBondContact O-CG2 3.44Å; S183-V187 PolarHBondContact O-N 2.94Å
184	T	70.7	Confident	74.7	Confident	76 Å²	76	112.1 Å²	112.1	47%	0.466	56%	0.564	S	S	.	*	H	α-helix	trans	-63.9	-39.5	176.7	-51.4	0	0	0	0	112	R180 R181 S182 V187 K188	R180-T184 WeakPolarHBondContact O-CB 3.26Å; R180-T184 PolarHBondContact O-N 3.34Å; R180-T184 VanDerWaalsContact O-N 3.09Å; R180-T184 PolarHBondContact O-OG1 3.03Å; R181-T184 PolarHBondContact O-N 3.23Å; S182-T184 VanDerWaalsContact C-N 3.35Å; S182-T184 PolarHBondContact O-N 3.27Å; T184-V187 PolarHBondContact O-N 3.02Å; T184-K188 WeakPolarHBondContact O-CG 3.43Å; T184-K188 PolarHBondContact O-N 3.44Å
185	T	73.4	Confident	74.5	Confident	85 Å²	85	112.7 Å²	112.7	52%	0.521	56%	0.563	S	S	.	*	H	α-helix	trans	-63.9	-45.1	176.2	-56.4	0	0	0	0	111.6	R181 S182 S183 V187 K188 Q189	R181-T185 PolarHBondContact O-N 3.01Å; R181-T185 PolarHBondContact O-OG1 2.88Å; S182-T185 PolarHBondContact O-N 3.35Å; S183-T185 PolarHBondContact O-N 2.82Å; T185-V187 PolarHBondContact O-N 2.83Å; T185-K188 PolarHBondContact O-N 2.82Å; T185-Q189 WeakPolarHBondContact O-CB 3.49Å; T185-Q189 PolarHBondContact O-N 3.42Å
186	H	74.5	Confident	74.7	Confident	118 Å²	118	111.5 Å²	111.5	55%	0.546	56%	0.564	S	S	.	*	H	α-helix	trans	-62.8	-41	177.9	-72	86.5	0	0	0	112	S182 S183 Q189 A190	S182-H186 PolarHBondContact O-N 3.35Å; S182-H186 PolarHBondContact O-ND1 3.12Å; S182-H186 PolarHBondContact OG-CE1 3.25Å; S182-H186 VanDerWaalsContact OG-CE1 3.3Å; S182-H186 PolarHBondContact OG-ND1 3.3Å; S183-H186 PolarHBondContact O-N 2.67Å; H186-Q189 PolarHBondContact O-N 3.01Å; H186-A190 WeakPolarHBondContact O-CB 3.43Å; H186-A190 PolarHBondContact O-N 3.43Å
187	V	77.5	Confident	74.5	Confident	85 Å²	85	117.1 Å²	117.1	52%	0.515	58%	0.578	S	S	.	*	H	α-helix	trans	-63.8	-46.4	176	172.5	0	0	0	0	111.2	S183 T184 T185 Q189 A190 I191	S183-V187 WeakPolarHBondContact O-CG2 3.44Å; S183-V187 PolarHBondContact O-N 2.94Å; T184-V187 PolarHBondContact O-N 3.02Å; T185-V187 PolarHBondContact O-N 2.83Å; V187-Q189 VanDerWaalsContact C-N 3.31Å; V187-Q189 PolarHBondContact O-N 3.1Å; V187-A190 PolarHBondContact O-N 3.36Å; V187-I191 HydrophobicContact CG1-CD1 3.83Å; V187-I191 HydrophobicContact CG1-CG1 4.47Å; V187-I191 WeakPolarHBondContact O-CG1 3.49Å; V187-I191 PolarHBondContact O-N 2.75Å
188	K	76.3	Confident	74.4	Confident	142 Å²	142	116.3 Å²	116.3	62%	0.617	58%	0.58	S	S	*	*	H	α-helix	trans	-59.2	-42.3	176.3	-77.6	-177.3	175.2	-172.4	0	112.2	T184 T185 I191 N192	T184-K188 WeakPolarHBondContact O-CG 3.43Å; T184-K188 PolarHBondContact O-N 3.44Å; T185-K188 PolarHBondContact O-N 2.82Å; K188-I191 PolarHBondContact O-N 2.95Å; K188-N192 PolarHBondContact O-N 2.68Å
189	Q	75.1	Confident	74.1	Confident	134 Å²	134	119.1 Å²	119.1	63%	0.626	60%	0.596	S	S	*	*	H	α-helix	trans	-67.5	-37.7	179.3	-159.9	175.1	10.6	0	0	112	T185 H186 V187 K193	T185-Q189 WeakPolarHBondContact O-CB 3.49Å; T185-Q189 PolarHBondContact O-N 3.42Å; H186-Q189 PolarHBondContact O-N 3.01Å; V187-Q189 VanDerWaalsContact C-N 3.31Å; V187-Q189 PolarHBondContact O-N 3.1Å; Q189-K193 WeakPolarHBondContact O-CB 3.36Å; Q189-K193 PolarHBondContact O-N 2.76Å; Q189-K193 VanDerWaalsContact O-N 3.14Å
190	A	76.7	Confident	73.5	Confident	56 Å²	56	115.9 Å²	115.9	46%	0.463	61%	0.605	S	S	.	*	H	α-helix	trans	-65.6	-43.2	174.7	0	0	0	0	0	112.4	H186 V187 K193 M194	H186-A190 WeakPolarHBondContact O-CB 3.43Å; H186-A190 PolarHBondContact O-N 3.43Å; V187-A190 PolarHBondContact O-N 3.36Å; A190-K193 PolarHBondContact O-N 3.37Å; A190-M194 PolarHBondContact O-N 3.27Å
191	I	81.9	Confident	73.7	Confident	90 Å²	90	112.1 Å²	112.1	46%	0.462	60%	0.599	S	S	.	*	H	α-helix	trans	-62.8	-48.2	177.2	-68.1	169	0	0	0	110.8	V187 K188 K193 M194 L195	V187-I191 HydrophobicContact CG1-CD1 3.83Å; V187-I191 HydrophobicContact CG1-CG1 4.47Å; V187-I191 WeakPolarHBondContact O-CG1 3.49Å; V187-I191 PolarHBondContact O-N 2.75Å; K188-I191 PolarHBondContact O-N 2.95Å; I191-K193 VanDerWaalsContact C-N 3.26Å; I191-K193 PolarHBondContact O-N 3.37Å; I191-M194 PolarHBondContact O-N 3.21Å; I191-M194 VanDerWaalsContact O-N 3.12Å; I191-L195 HydrophobicContact CG2-CD1 3.97Å; I191-L195 HydrophobicContact CG2-CG 4.37Å; I191-L195 WeakPolarHBondContact O-CG 3.34Å; I191-L195 PolarHBondContact O-N 3.11Å
192	N	80.2	Confident	74.1	Confident	111 Å²	111	107.5 Å²	107.5	59%	0.594	59%	0.591	S	S	*	*	H	α-helix	trans	-57.8	-40.8	177.4	-91.6	11	0	0	0	112	K188 M194 L195 T196	K188-N192 PolarHBondContact O-N 2.68Å; N192-M194 VanDerWaalsContact C-N 3.33Å; N192-M194 PolarHBondContact O-N 3.04Å; N192-L195 PolarHBondContact O-N 3.4Å; N192-T196 WeakPolarHBondContact O-CG2 3.42Å; N192-T196 PolarHBondContact O-N 3.46Å; N192-T196 PolarHBondContact O-OG1 3.13Å; N192-T196 VanDerWaalsContact O-OG1 3.12Å
193	K	78.9	Confident	74.1	Confident	146 Å²	146	110.2 Å²	110.2	64%	0.635	60%	0.601	S	S	*	*	H	α-helix	trans	-67.8	-31.6	179.2	-160.8	174.2	-174.8	177.8	0	112.9	Q189 A190 I191 T196	Q189-K193 WeakPolarHBondContact O-CB 3.36Å; Q189-K193 PolarHBondContact O-N 2.76Å; Q189-K193 VanDerWaalsContact O-N 3.14Å; A190-K193 PolarHBondContact O-N 3.37Å; I191-K193 VanDerWaalsContact C-N 3.26Å; I191-K193 PolarHBondContact O-N 3.37Å; K193-T196 WeakPolarHBondContact CA-OG1 3.13Å; K193-T196 PolarHBondContact O-OG1 3.5Å
194	M	76.1	Confident	74.1	Confident	137 Å²	137	113.1 Å²	113.1	68%	0.675	61%	0.611	S	S	*	*	H	α-helix	trans	-70.1	-46.8	171.6	-82.2	-174.7	176.3	0	0	111.6	A190 I191 N192 T196 K197 I198	A190-M194 PolarHBondContact O-N 3.27Å; I191-M194 PolarHBondContact O-N 3.21Å; I191-M194 VanDerWaalsContact O-N 3.12Å; N192-M194 VanDerWaalsContact C-N 3.33Å; N192-M194 PolarHBondContact O-N 3.04Å; M194-T196 VanDerWaalsContact C-N 3.31Å; M194-T196 PolarHBondContact O-N 3.18Å; M194-K197 PolarHBondContact O-N 2.92Å; M194-K197 VanDerWaalsContact O-N 3.08Å; M194-I198 WeakPolarHBondContact O-CG1 3.39Å; M194-I198 PolarHBondContact O-N 3.38Å
195	L	80.1	Confident	74.3	Confident	100 Å²	100	115.4 Å²	115.4	52%	0.524	62%	0.62	S	S	.	*	H	α-helix	trans	-60	-41.6	179.8	-68.6	172.4	0	0	0	111.7	I191 N192 K197 I198 S199	I191-L195 HydrophobicContact CG2-CD1 3.97Å; I191-L195 HydrophobicContact CG2-CG 4.37Å; I191-L195 WeakPolarHBondContact O-CG 3.34Å; I191-L195 PolarHBondContact O-N 3.11Å; N192-L195 PolarHBondContact O-N 3.4Å; L195-K197 PolarHBondContact O-N 2.88Å; L195-I198 PolarHBondContact O-N 3.15Å; L195-S199 PolarHBondContact O-N 3.48Å
196	T	79.4	Confident	74.3	Confident	95 Å²	95	117.4 Å²	117.4	58%	0.583	63%	0.627	S	S	*	*	H	α-helix	trans	-65.3	-24.3	176.7	49.8	0	0	0	0	114.2	N192 K193 M194 S200	N192-T196 WeakPolarHBondContact O-CG2 3.42Å; N192-T196 PolarHBondContact O-N 3.46Å; N192-T196 PolarHBondContact O-OG1 3.13Å; N192-T196 VanDerWaalsContact O-OG1 3.12Å; K193-T196 WeakPolarHBondContact CA-OG1 3.13Å; K193-T196 PolarHBondContact O-OG1 3.5Å; M194-T196 VanDerWaalsContact C-N 3.31Å; M194-T196 PolarHBondContact O-N 3.18Å; T196-S200 PolarHBondContact O-OG 3.32Å
197	K	70.6	Confident	74.3	Confident	154 Å²	154	117.4 Å²	117.4	67%	0.67	63%	0.633	S	S	*	*	H	α-helix	trans	-83.7	-18.8	177.3	-83.3	-173	173.1	-168.6	0	113.6	M194 L195 S200	M194-K197 PolarHBondContact O-N 2.92Å; M194-K197 VanDerWaalsContact O-N 3.08Å; L195-K197 PolarHBondContact O-N 2.88Å; K197-S200 PolarHBondContact O-OG 3.5Å
198	I	70	Confident	74.1	Confident	137 Å²	137	119.8 Å²	119.8	70%	0.703	64%	0.642	S	S	*	*	H	α-helix	trans	-88.5	-26	179.5	-63.3	166	0	0	0	110.4	M194 L195 S200	M194-I198 WeakPolarHBondContact O-CG1 3.39Å; M194-I198 PolarHBondContact O-N 3.38Å; L195-I198 PolarHBondContact O-N 3.15Å; I198-S200 VanDerWaalsContact C-N 3.33Å
199	S	63.6	Low	73.9	Confident	116 Å²	116	118 Å²	118	81%	0.811	64%	0.644	S	S	*	*			trans	-87.5	7.9	176.8	-63.4	0	0	0	0	114.8	L195	L195-S199 PolarHBondContact O-N 3.48Å
200	S	54.5	Low	73.8	Confident	140 Å²	140	116.5 Å²	116.5	98%	0.979	65%	0.645	S	S	*	*			trans	-124.2	0	178.9	57.5	0	0	0	0	110.1	T196 K197 I198	T196-S200 PolarHBondContact O-OG 3.32Å; K197-S200 PolarHBondContact O-OG 3.5Å; I198-S200 VanDerWaalsContact C-N 3.33Å

Retrieved 200 of 200 residues in 408.3 ms (Link to these results)

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