A0A3Q0KDR2_SCHMA Loading...

Coiled-coil domain-containing protein 25

AlphaFold DB , UniProt , Accession A0A3Q0KDR2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 208 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	84	Confident	89.4	Confident	31 Å²	31	51 Å²	51	15%	0.153	25%	0.246	C	C	.	.				0	157.4	0	-176	175.2	49.9	0	0	111.1	L3 E20 E24 Q138 C139	M1-L3 HydrophobicContact CE-CD2 3.81Å; M1-L3 HydrophobicContact SD-CD2 4.3Å; M1-E20 HydrophobicContact CB-CB 4.12Å; M1-E20 WeakPolarHBondContact CB-OE2 3.27Å; M1-E20 VanDerWaalsContact CE-CD 3.46Å; M1-E20 HydrophobicContact CE-CG 4.34Å; M1-E20 WeakPolarHBondContact CE-OE1 3.36Å; M1-E20 WeakPolarHBondContact CE-OE2 3.34Å; M1-E20 PolarHBondContact N-OE2 3.21Å; M1-E20 VanDerWaalsContact N-OE2 3.09Å; M1-E20 WeakPolarHBondContact O-CB 3.43Å; M1-E20 PolarHBondContact O-N 3.36Å; M1-E24 PolarHBondContact N-OE1 2.64Å; M1-E24 WeakPolarHBondContact O-CG 3.33Å; M1-Q138 HydrophobicContact SD-CB 3.71Å; M1-Q138 HydrophobicContact SD-CG 4.16Å; M1-Q138 PolarHBondContact SD-OE1 2.66Å; M1-C139 WeakPolarHBondContact CG-O 3.38Å
2	V	87.9	Confident	89.3	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	135.1	167.8	178.7	0	0	0	0	110	Y17 E24 L28 C139 P142	V2-Y17 HydrophobicContact CG1-CD1 4.49Å; V2-E24 HydrophobicContact CG2-CB 4.21Å; V2-L28 HydrophobicContact CG1-CD1 4.18Å; V2-L28 HydrophobicContact CG1-CD2 4.14Å; V2-L28 HydrophobicContact CG2-CD1 4.14Å; V2-L28 HydrophobicContact CG2-CD2 4.3Å; V2-L28 HydrophobicContact CG2-CG 4.21Å; V2-C139 PolarHBondContact N-O 3.22Å; V2-C139 PolarHBondContact O-N 3.1Å; V2-P142 HydrophobicContact CB-CG 3.9Å; V2-P142 HydrophobicContact CG2-CG 3.63Å
3	L	91.9	Very high	89.5	Confident	9 Å²	9	53.2 Å²	53.2	5%	0.047	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	123.8	179.3	-60.7	175.8	0	0	0	109.2	M1 F5 Y17 M18 Q138	M1-L3 HydrophobicContact CE-CD2 3.81Å; M1-L3 HydrophobicContact SD-CD2 4.3Å; L3-F5 HydrophobicContact CB-CE2 3.68Å; L3-F5 HydrophobicContact CB-CZ 4.06Å; L3-F5 HydrophobicContact CD1-CZ 4.48Å; L3-Y17 CarbonylContact O-C 3.59Å; L3-Y17 WeakPolarHBondContact O-CA 3.25Å; L3-M18 HydrophobicContact CB-CB 4.35Å; L3-M18 HydrophobicContact CB-CE 4.41Å; L3-M18 HydrophobicContact CD1-CE 3.33Å; L3-M18 HydrophobicContact CG-CE 4.42Å; L3-M18 PolarHBondContact N-O 3.09Å; L3-M18 PolarHBondContact O-N 2.64Å; L3-Q138 HydrophobicContact CD2-CB 4.23Å; L3-Q138 HydrophobicContact CD2-CG 3.63Å
4	H	92.8	Very high	89.7	Confident	27 Å²	27	50.1 Å²	50.1	13%	0.125	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	137	174.4	-60.1	167.5	0	0	0	109.3	I16 Y17 K136 E137 C139	H4-I16 CarbonylContact C-O 3.52Å; H4-I16 WeakPolarHBondContact CA-O 3.41Å; H4-Y17 AromaticContact CD2-CD1 3.18Å; H4-Y17 WeakPolarHBondContact CD2-CD1 3.43Å; H4-Y17 AromaticContact CD2-CE1 3.53Å; H4-Y17 AromaticContact CE1-CE1 3.94Å; H4-Y17 AromaticContact NE2-CD1 3.36Å; H4-Y17 WeakPolarHBondContact NE2-CD1 3.31Å; H4-Y17 AromaticContact NE2-CE1 3.48Å; H4-Y17 WeakPolarHBondContact NE2-CE1 3.28Å; H4-K136 CarbonylContact O-C 3.54Å; H4-K136 VanDerWaalsContact O-CA 3.32Å; H4-K136 WeakPolarHBondContact O-CA 3.35Å; H4-E137 HydrophobicContact CB-CB 4.29Å; H4-E137 PolarHBondContact N-O 2.98Å; H4-E137 PolarHBondContact O-N 2.99Å; H4-C139 PolarHBondContact CE1-SG 2.89Å; H4-C139 PolarHBondContact ND1-SG 2.75Å; H4-C139 VanDerWaalsContact ND1-SG 3.4Å
5	F	93.4	Very high	89.9	Confident	2 Å²	2	52.4 Å²	52.4	1%	0.009	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	147.6	172.6	-51.3	-101.8	0	0	0	108.8	L3 I16 M18 L73 L132 K136	L3-F5 HydrophobicContact CB-CE2 3.68Å; L3-F5 HydrophobicContact CB-CZ 4.06Å; L3-F5 HydrophobicContact CD1-CZ 4.48Å; F5-I16 HydrophobicContact CB-CB 4.14Å; F5-I16 HydrophobicContact CD2-CG2 4.44Å; F5-I16 PolarHBondContact N-O 2.99Å; F5-I16 PolarHBondContact O-N 2.8Å; F5-M18 HydrophobicContact CE2-CB 3.99Å; F5-M18 HydrophobicContact CE2-CE 4.14Å; F5-M18 HydrophobicContact CZ-CE 4.04Å; F5-L73 HydrophobicContact CD2-CD2 3.86Å; F5-L73 HydrophobicContact CE1-CD1 4.13Å; F5-L73 HydrophobicContact CE2-CD1 4.47Å; F5-L73 HydrophobicContact CE2-CD2 3.82Å; F5-L73 HydrophobicContact CG-CD2 4.29Å; F5-L73 HydrophobicContact CZ-CD1 4.01Å; F5-L73 HydrophobicContact CZ-CD2 4.19Å; F5-L132 HydrophobicContact CD1-CB 4.23Å; F5-L132 WeakPolarHBondContact CD1-O 3.48Å; F5-K136 HydrophobicContact CD1-CB 3.89Å; F5-K136 HydrophobicContact CD1-CG 4.2Å; F5-K136 HydrophobicContact CE1-CB 3.75Å; F5-K136 HydrophobicContact CE1-CD 3.88Å; F5-K136 HydrophobicContact CE1-CG 3.68Å; F5-K136 HydrophobicContact CZ-CD 4.16Å; F5-K136 HydrophobicContact CZ-CG 4.06Å
6	K	92.3	Very high	90.2	Very high	62 Å²	62	49.1 Å²	49.1	27%	0.27	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	121.2	173.8	-64	167.9	179.3	153.9	0	108.8	F15 T135 E137	K6-F15 HydrophobicContact CD-CE1 4.22Å; K6-F15 HydrophobicContact CG-CD1 4.02Å; K6-F15 HydrophobicContact CG-CE1 3.87Å; K6-T135 HydrophobicContact CB-CG2 4.33Å; K6-T135 PolarHBondContact N-OG1 2.8Å; K6-T135 VanDerWaalsContact N-OG1 3.09Å; K6-T135 WeakPolarHBondContact O-CB 3.08Å; K6-T135 PolarHBondContact O-OG1 2.82Å; K6-E137 IonicContact NZ-OE1 3.04Å; K6-E137 PolarHBondContact NZ-OE1 2.8Å; K6-E137 IonicContact NZ-OE2 3.85Å
7	C	90.6	Very high	90.4	Very high	1 Å²	1	47.4 Å²	47.4	1%	0.007	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	100.8	173.9	-174.9	0	0	0	0	109.4	L9 P13 Y14 I16 D69	C7-L9 VanDerWaalsContact C-N 3.27Å; C7-L9 PolarHBondContact O-N 2.95Å; C7-P13 VanDerWaalsContact O-CA 3.29Å; C7-P13 WeakPolarHBondContact O-CA 3.39Å; C7-P13 WeakPolarHBondContact O-CB 3.44Å; C7-Y14 PolarHBondContact N-O 3.07Å; C7-Y14 PolarHBondContact O-N 3.27Å; C7-Y14 VanDerWaalsContact O-N 3.12Å; C7-I16 HydrophobicContact CB-CD1 3.97Å; C7-D69 PolarHBondContact SG-OD2 3.09Å
8	E	89.9	Confident	90.5	Very high	134 Å²	134	45 Å²	45	63%	0.626	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.2	10.2	-176.1	-61.2	179.1	167.8	0	0	113.5	V10 T135	E8-V10 PolarHBondContact O-N 3.27Å; E8-T135 HydrophobicContact CG-CG2 4.5Å
9	L	87.1	Confident	90.4	Very high	70 Å²	70	42.7 Å²	42.7	37%	0.366	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-26.5	176.9	-78.8	-179.9	0	0	0	113.5	C7 A65 D69	C7-L9 VanDerWaalsContact C-N 3.27Å; C7-L9 PolarHBondContact O-N 2.95Å; L9-A65 HydrophobicContact CD1-CB 3.84Å; L9-D69 WeakPolarHBondContact CD1-OD2 3.41Å
10	V	87.2	Confident	90.2	Very high	39 Å²	39	46.4 Å²	46.4	24%	0.236	23%	0.231	C	C	.	.	S	Bend	trans	-133	147.9	-174.3	-174.4	0	0	0	0	107.6	E8 P12 P13 Y14 P63 V66	E8-V10 PolarHBondContact O-N 3.27Å; V10-P12 CarbonylContact O-C 3.22Å; V10-P13 VanDerWaalsContact O-CA 3.31Å; V10-P13 WeakPolarHBondContact O-CA 3.27Å; V10-Y14 HydrophobicContact CB-CD2 4.37Å; V10-Y14 HydrophobicContact CB-CE2 4.01Å; V10-Y14 HydrophobicContact CG1-CE2 4.17Å; V10-Y14 HydrophobicContact CG2-CE2 4.28Å; V10-P63 HydrophobicContact CG2-CB 4.31Å; V10-P63 HydrophobicContact CG2-CG 3.9Å; V10-V66 HydrophobicContact CG2-CG2 3.88Å
11	Q	86.2	Confident	90.1	Very high	186 Å²	186	48 Å²	48	87%	0.869	24%	0.241	S	C	*	.	S	Bend	trans	-109.1	128.1	172.9	-63.9	-175.4	25.3	0	0	109.7
12	P	88.1	Confident	90.1	Very high	81 Å²	81	51.3 Å²	51.3	53%	0.526	25%	0.254	S	S	.	.	S	Bend	cis	-69.3	152.7	-6.2	23.9	-27.6	0	0	0	112.6	V10 K54	V10-P12 CarbonylContact O-C 3.22Å; P12-K54 HydrophobicContact CG-CD 4.15Å; P12-K54 WeakPolarHBondContact O-CE 3.24Å; P12-K54 PolarHBondContact O-NZ 3.04Å
13	P	91.5	Very high	90.1	Very high	49 Å²	49	56.4 Å²	56.4	32%	0.318	28%	0.278	S	S	.	.	P	Polyproline II helix	trans	-64.1	149.6	-176.5	27.9	-35.6	0	0	0	111.4	C7 V10	C7-P13 VanDerWaalsContact O-CA 3.29Å; C7-P13 WeakPolarHBondContact O-CA 3.39Å; C7-P13 WeakPolarHBondContact O-CB 3.44Å; V10-P13 VanDerWaalsContact O-CA 3.31Å; V10-P13 WeakPolarHBondContact O-CA 3.27Å
14	Y	92.8	Very high	89.8	Confident	10 Å²	10	58 Å²	58	4%	0.039	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	146.7	171.6	-70.1	-92.9	0	0	0	110.8	C7 V10 L51 L53 E57 V66	C7-Y14 PolarHBondContact N-O 3.07Å; C7-Y14 PolarHBondContact O-N 3.27Å; C7-Y14 VanDerWaalsContact O-N 3.12Å; V10-Y14 HydrophobicContact CB-CD2 4.37Å; V10-Y14 HydrophobicContact CB-CE2 4.01Å; V10-Y14 HydrophobicContact CG1-CE2 4.17Å; V10-Y14 HydrophobicContact CG2-CE2 4.28Å; Y14-L51 HydrophobicContact CD1-CD1 4.13Å; Y14-L51 HydrophobicContact CD1-CG 4.5Å; Y14-L51 HydrophobicContact CG-CD1 4.15Å; Y14-L53 HydrophobicContact CE1-CD2 4.42Å; Y14-E57 WeakPolarHBondContact CE1-OE1 3.4Å; Y14-E57 WeakPolarHBondContact CE1-OE2 3.45Å; Y14-E57 VanDerWaalsContact CZ-OE1 3.3Å; Y14-E57 VanDerWaalsContact OH-CD 3.32Å; Y14-E57 PolarHBondContact OH-OE1 3.37Å; Y14-E57 PolarHBondContact OH-OE2 3.24Å; Y14-V66 HydrophobicContact CD2-CG1 4.06Å; Y14-V66 HydrophobicContact CD2-CG2 3.91Å; Y14-V66 HydrophobicContact CE2-CG2 4.14Å; Y14-V66 HydrophobicContact CG-CG1 4.1Å
15	F	93.1	Very high	89.5	Confident	85 Å²	85	57.1 Å²	57.1	37%	0.373	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	131.2	174.4	-67.8	-87.4	0	0	0	109.7	K6 Y17 R52	K6-F15 HydrophobicContact CD-CE1 4.22Å; K6-F15 HydrophobicContact CG-CD1 4.02Å; K6-F15 HydrophobicContact CG-CE1 3.87Å; F15-Y17 HydrophobicContact CB-CE2 3.73Å; F15-R52 HydrophobicContact CB-CB 4.37Å; F15-R52 PolarHBondContact O-N 2.95Å
16	I	94.2	Very high	89.2	Confident	0 Å²	0	59 Å²	59	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	133.6	178.8	-58.1	166.5	0	0	0	107.8	H4 F5 C7 V49 Y50 L51 L73 L132	H4-I16 CarbonylContact C-O 3.52Å; H4-I16 WeakPolarHBondContact CA-O 3.41Å; F5-I16 HydrophobicContact CB-CB 4.14Å; F5-I16 HydrophobicContact CD2-CG2 4.44Å; F5-I16 PolarHBondContact N-O 2.99Å; F5-I16 PolarHBondContact O-N 2.8Å; C7-I16 HydrophobicContact CB-CD1 3.97Å; I16-V49 HydrophobicContact CG2-CG1 3.32Å; I16-Y50 CarbonylContact C-O 3.52Å; I16-Y50 VanDerWaalsContact CA-O 3.29Å; I16-Y50 WeakPolarHBondContact CA-O 3.46Å; I16-L51 HydrophobicContact CD1-CD1 4.49Å; I16-L51 HydrophobicContact CG1-CD1 3.72Å; I16-L73 HydrophobicContact CG2-CD2 3.92Å; I16-L132 HydrophobicContact CD1-CD2 4.27Å
17	Y	93.2	Very high	88.9	Confident	20 Å²	20	60.9 Å²	60.9	8%	0.078	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	139.4	-179.3	-56.7	-99.4	0	0	0	109.2	V2 L3 H4 F15 V49 Y50 R52	V2-Y17 HydrophobicContact CG1-CD1 4.49Å; L3-Y17 CarbonylContact O-C 3.59Å; L3-Y17 WeakPolarHBondContact O-CA 3.25Å; H4-Y17 AromaticContact CD2-CD1 3.18Å; H4-Y17 WeakPolarHBondContact CD2-CD1 3.43Å; H4-Y17 AromaticContact CD2-CE1 3.53Å; H4-Y17 AromaticContact CE1-CE1 3.94Å; H4-Y17 AromaticContact NE2-CD1 3.36Å; H4-Y17 WeakPolarHBondContact NE2-CD1 3.31Å; H4-Y17 AromaticContact NE2-CE1 3.48Å; H4-Y17 WeakPolarHBondContact NE2-CE1 3.28Å; F15-Y17 HydrophobicContact CB-CE2 3.73Å; Y17-V49 CarbonylContact O-C 3.53Å; Y17-V49 WeakPolarHBondContact O-CA 3.41Å; Y17-Y50 PolarHBondContact N-O 3.44Å; Y17-Y50 PolarHBondContact O-N 2.96Å; Y17-R52 HydrophobicContact CD2-CB 4.37Å; Y17-R52 HydrophobicContact CE2-CB 3.74Å; Y17-R52 PolarHBondContact OH-NH1 2.93Å
18	M	92.8	Very high	88.8	Confident	4 Å²	4	61.3 Å²	61.3	2%	0.02	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	127.9	177.6	-174.1	177.4	77.4	0	0	109.5	L3 F5 A47 H48 V49 L73 N77	L3-M18 HydrophobicContact CB-CB 4.35Å; L3-M18 HydrophobicContact CB-CE 4.41Å; L3-M18 HydrophobicContact CD1-CE 3.33Å; L3-M18 HydrophobicContact CG-CE 4.42Å; L3-M18 PolarHBondContact N-O 3.09Å; L3-M18 PolarHBondContact O-N 2.64Å; F5-M18 HydrophobicContact CE2-CB 3.99Å; F5-M18 HydrophobicContact CE2-CE 4.14Å; F5-M18 HydrophobicContact CZ-CE 4.04Å; M18-A47 HydrophobicContact CG-CB 3.89Å; M18-A47 HydrophobicContact SD-CB 3.85Å; M18-H48 WeakPolarHBondContact CA-O 3.46Å; M18-V49 HydrophobicContact CB-CG2 4.27Å; M18-V49 HydrophobicContact CG-CG2 3.93Å; M18-V49 HydrophobicContact SD-CG2 3.96Å; M18-L73 HydrophobicContact SD-CD2 4.43Å; M18-L73 HydrophobicContact SD-CG 4.26Å; M18-N77 HydrophobicContact SD-CB 4.02Å; M18-N77 PolarHBondContact SD-ND2 2.89Å
19	G	89.1	Confident	88.7	Confident	1 Å²	1	55.6 Å²	55.6	1%	0.01	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	141.3	171.8	0	0	0	0	0	110.4	N25	G19-N25 VanDerWaalsContact CA-OD1 3.24Å; G19-N25 WeakPolarHBondContact CA-OD1 3.29Å; G19-N25 PolarHBondContact N-OD1 3.42Å
20	E	86.9	Confident	88.8	Confident	116 Å²	116	60.6 Å²	60.6	54%	0.542	29%	0.291	S	S	.	.	S	Bend	trans	-70.2	-40.7	175.8	-179.5	177.4	-147.8	0	0	111.9	M1	M1-E20 HydrophobicContact CB-CB 4.12Å; M1-E20 WeakPolarHBondContact CB-OE2 3.27Å; M1-E20 VanDerWaalsContact CE-CD 3.46Å; M1-E20 HydrophobicContact CE-CG 4.34Å; M1-E20 WeakPolarHBondContact CE-OE1 3.36Å; M1-E20 WeakPolarHBondContact CE-OE2 3.34Å; M1-E20 PolarHBondContact N-OE2 3.21Å; M1-E20 VanDerWaalsContact N-OE2 3.09Å; M1-E20 WeakPolarHBondContact O-CB 3.43Å; M1-E20 PolarHBondContact O-N 3.36Å
21	D	86.8	Confident	88.8	Confident	82 Å²	82	62 Å²	62	44%	0.439	29%	0.292	S	S	.	.	S	Bend	trans	-134.7	174.2	178.4	-168.3	20.2	0	0	0	111.2	H23 E24 N25	D21-H23 PolarHBondContact O-N 3.28Å; D21-H23 IonicContact OD2-CD2 3.09Å; D21-E24 WeakPolarHBondContact CB-OE2 3.38Å; D21-E24 PolarHBondContact N-OE2 2.83Å; D21-E24 PolarHBondContact O-N 3.38Å; D21-N25 VanDerWaalsContact O-CG 3.25Å; D21-N25 PolarHBondContact O-N 3.37Å; D21-N25 PolarHBondContact O-ND2 3.5Å
22	K	85.2	Confident	88.9	Confident	99 Å²	99	53.3 Å²	53.3	43%	0.43	25%	0.252	S	S	.	.	H	α-helix	trans	-56.3	-29.1	-179.8	67.1	-171.2	177.9	-179.9	0	113.8	D26 A105	K22-D26 PolarHBondContact O-N 3.08Å; K22-D26 VanDerWaalsContact O-N 3.08Å; K22-A105 HydrophobicContact CB-CB 4.37Å; K22-A105 HydrophobicContact CD-CB 4.02Å; K22-A105 HydrophobicContact CG-CB 4.01Å
23	H	86.7	Confident	88.9	Confident	108 Å²	108	51 Å²	51	50%	0.5	23%	0.233	S	C	.	.	H	α-helix	trans	-71.1	-46.1	179.2	-67	-64.5	0	0	0	111.2	D21 N25 D26 E27	D21-H23 PolarHBondContact O-N 3.28Å; D21-H23 IonicContact OD2-CD2 3.09Å; H23-N25 VanDerWaalsContact C-N 3.31Å; H23-N25 PolarHBondContact O-N 3.38Å; H23-D26 PolarHBondContact O-N 2.79Å; H23-E27 PolarHBondContact O-N 2.79Å; H23-E27 VanDerWaalsContact O-N 3.09Å
24	E	86.5	Confident	88.7	Confident	42 Å²	42	49.8 Å²	49.8	20%	0.196	23%	0.225	C	C	.	.	H	α-helix	trans	-69.2	-31.5	174.3	-66.4	84.6	171.6	0	0	112.1	M1 V2 D21 D26 E27 L28	M1-E24 PolarHBondContact N-OE1 2.64Å; M1-E24 WeakPolarHBondContact O-CG 3.33Å; V2-E24 HydrophobicContact CG2-CB 4.21Å; D21-E24 WeakPolarHBondContact CB-OE2 3.38Å; D21-E24 PolarHBondContact N-OE2 2.83Å; D21-E24 PolarHBondContact O-N 3.38Å; E24-D26 VanDerWaalsContact C-N 3.33Å; E24-E27 PolarHBondContact O-N 3.37Å; E24-L28 WeakPolarHBondContact O-CB 3.35Å; E24-L28 WeakPolarHBondContact O-CG 3.38Å; E24-L28 PolarHBondContact O-N 3.28Å
25	N	86.6	Confident	88.6	Confident	9 Å²	9	51.2 Å²	51.2	5%	0.048	23%	0.232	C	C	.	.	H	α-helix	trans	-59.8	-45.1	171	-68.6	-24.3	0	0	0	110.9	G19 D21 H23 E27 L28 I29 H48	G19-N25 VanDerWaalsContact CA-OD1 3.24Å; G19-N25 WeakPolarHBondContact CA-OD1 3.29Å; G19-N25 PolarHBondContact N-OD1 3.42Å; D21-N25 VanDerWaalsContact O-CG 3.25Å; D21-N25 PolarHBondContact O-N 3.37Å; D21-N25 PolarHBondContact O-ND2 3.5Å; H23-N25 VanDerWaalsContact C-N 3.31Å; H23-N25 PolarHBondContact O-N 3.38Å; N25-E27 VanDerWaalsContact C-N 3.34Å; N25-E27 PolarHBondContact O-N 2.83Å; N25-L28 PolarHBondContact O-N 3.29Å; N25-I29 WeakPolarHBondContact O-CG1 2.93Å; N25-I29 PolarHBondContact O-N 3.22Å; N25-H48 HydrophobicContact CB-CB 4.22Å
26	D	86.3	Confident	88.6	Confident	42 Å²	42	47.2 Å²	47.2	23%	0.225	22%	0.215	C	C	.	.	H	α-helix	trans	-65.1	-35.6	176	-82	-8.8	0	0	0	112.4	K22 H23 E24 I29 R30 K99 A105 G106	K22-D26 PolarHBondContact O-N 3.08Å; K22-D26 VanDerWaalsContact O-N 3.08Å; H23-D26 PolarHBondContact O-N 2.79Å; E24-D26 VanDerWaalsContact C-N 3.33Å; D26-I29 PolarHBondContact O-N 2.77Å; D26-R30 WeakPolarHBondContact O-CB 3.3Å; D26-R30 PolarHBondContact O-N 3.13Å; D26-K99 IonicContact OD1-NZ 3.88Å; D26-K99 PolarHBondContact OD1-NZ 2.86Å; D26-K99 IonicContact OD2-NZ 2.8Å; D26-K99 PolarHBondContact OD2-NZ 3.33Å; D26-A105 VanDerWaalsContact OD2-CA 3.22Å; D26-A105 WeakPolarHBondContact OD2-CA 3.43Å; D26-G106 PolarHBondContact OD1-N 2.92Å; D26-G106 PolarHBondContact OD2-N 3.48Å
27	E	86.7	Confident	88.6	Confident	101 Å²	101	47.3 Å²	47.3	47%	0.472	22%	0.215	S	C	.	.	H	α-helix	trans	-66.2	-42.1	173.6	-70.4	-173.3	169.7	0	0	112.6	H23 E24 N25 I29 R30 W31 L144	H23-E27 PolarHBondContact O-N 2.79Å; H23-E27 VanDerWaalsContact O-N 3.09Å; E24-E27 PolarHBondContact O-N 3.37Å; N25-E27 VanDerWaalsContact C-N 3.34Å; N25-E27 PolarHBondContact O-N 2.83Å; E27-I29 VanDerWaalsContact C-N 3.33Å; E27-R30 PolarHBondContact O-N 2.92Å; E27-R30 VanDerWaalsContact O-N 3.14Å; E27-W31 PolarHBondContact O-N 3.09Å; E27-L144 HydrophobicContact CB-CD1 4.21Å
28	L	88.2	Confident	88.7	Confident	9 Å²	9	46.7 Å²	46.7	5%	0.047	21%	0.213	C	C	.	.	H	α-helix	trans	-64	-38.1	173.6	-74.6	167.8	0	0	0	111.5	V2 E24 N25 R30 G32 Y50 L144	V2-L28 HydrophobicContact CG1-CD1 4.18Å; V2-L28 HydrophobicContact CG1-CD2 4.14Å; V2-L28 HydrophobicContact CG2-CD1 4.14Å; V2-L28 HydrophobicContact CG2-CD2 4.3Å; V2-L28 HydrophobicContact CG2-CG 4.21Å; E24-L28 WeakPolarHBondContact O-CB 3.35Å; E24-L28 WeakPolarHBondContact O-CG 3.38Å; E24-L28 PolarHBondContact O-N 3.28Å; N25-L28 PolarHBondContact O-N 3.29Å; L28-R30 VanDerWaalsContact C-N 3.34Å; L28-G32 WeakPolarHBondContact O-CA 3.47Å; L28-G32 PolarHBondContact O-N 3.48Å; L28-Y50 HydrophobicContact CB-CD2 4.1Å; L28-Y50 HydrophobicContact CB-CE2 3.59Å; L28-Y50 HydrophobicContact CD1-CD2 4.02Å; L28-Y50 HydrophobicContact CD1-CE2 3.91Å; L28-Y50 HydrophobicContact CG-CE2 4.34Å; L28-L144 HydrophobicContact CD2-CD1 3.72Å; L28-L144 HydrophobicContact CD2-CD2 3.9Å; L28-L144 HydrophobicContact CD2-CG 4.49Å; L28-L144 HydrophobicContact CG-CD1 4.08Å
29	I	88.7	Confident	88.8	Confident	14 Å²	14	46.5 Å²	46.5	7%	0.072	21%	0.212	C	C	.	.	H	α-helix	trans	-63.2	-43.9	171.2	-65.6	161.7	0	0	0	109.6	N25 D26 E27 W31 Y50 W94 V108	N25-I29 WeakPolarHBondContact O-CG1 2.93Å; N25-I29 PolarHBondContact O-N 3.22Å; D26-I29 PolarHBondContact O-N 2.77Å; E27-I29 VanDerWaalsContact C-N 3.33Å; I29-W31 PolarHBondContact O-N 3.41Å; I29-Y50 WeakPolarHBondContact CG1-OH 3.48Å; I29-W94 WeakPolarHBondContact O-CZ2 3.49Å; I29-W94 PolarHBondContact O-NE1 3.42Å; I29-V108 HydrophobicContact CD1-CG2 3.33Å; I29-V108 HydrophobicContact CG1-CG2 4.45Å
30	R	87.1	Confident	89.1	Confident	175 Å²	175	48.1 Å²	48.1	66%	0.66	22%	0.219	S	C	*	.	H	α-helix	trans	-67.1	-38.8	-175.8	-170.8	173.1	-175.6	163.8	3	113	D26 E27 L28 R148	D26-R30 WeakPolarHBondContact O-CB 3.3Å; D26-R30 PolarHBondContact O-N 3.13Å; E27-R30 PolarHBondContact O-N 2.92Å; E27-R30 VanDerWaalsContact O-N 3.14Å; L28-R30 VanDerWaalsContact C-N 3.34Å; R30-R148 PolarHBondContact O-NH1 3.43Å
31	W	88.6	Confident	89.4	Confident	69 Å²	69	42.6 Å²	42.6	26%	0.261	19%	0.193	S	C	.	.	H	α-helix	trans	-113.1	7.9	-173	-58	113.3	0	0	0	114.4	E27 I29 L144 R145 R148	E27-W31 PolarHBondContact O-N 3.09Å; I29-W31 PolarHBondContact O-N 3.41Å; W31-L144 HydrophobicContact CB-CB 3.71Å; W31-L144 HydrophobicContact CG-CB 4.26Å; W31-R145 HydrophobicContact CD2-CB 3.79Å; W31-R145 HydrophobicContact CD2-CG 4.1Å; W31-R145 HydrophobicContact CE3-CB 4.04Å; W31-R145 HydrophobicContact CE3-CG 3.91Å; W31-R145 HydrophobicContact CG-CB 4.24Å; W31-R145 HydrophobicContact CH2-CB 4.36Å; W31-R145 HydrophobicContact CH2-CG 3.68Å; W31-R145 HydrophobicContact CZ2-CB 4.11Å; W31-R145 HydrophobicContact CZ2-CG 3.85Å; W31-R145 HydrophobicContact CZ3-CB 4.33Å; W31-R145 HydrophobicContact CZ3-CG 3.71Å; W31-R148 WeakPolarHBondContact O-CD 3.24Å
32	G	87.4	Confident	89.6	Confident	3 Å²	3	41.7 Å²	41.7	3%	0.031	19%	0.188	C	C	.	.			trans	-59.3	156.7	174.4	0	0	0	0	0	112.6	L28 R148	L28-G32 WeakPolarHBondContact O-CA 3.47Å; L28-G32 PolarHBondContact O-N 3.48Å; G32-R148 PolarHBondContact O-NH1 3.46Å
33	W	89.7	Confident	89.7	Confident	32 Å²	32	41.7 Å²	41.7	12%	0.121	21%	0.207	C	C	.	.			trans	-87.2	146.2	178.9	-62.4	4.9	0	0	0	109.7	E35 D36 R52 W94 R151	W33-E35 PolarHBondContact O-N 3.5Å; W33-E35 VanDerWaalsContact O-N 3.11Å; W33-D36 WeakPolarHBondContact CB-OD2 3.26Å; W33-D36 PolarHBondContact N-OD2 2.95Å; W33-D36 WeakPolarHBondContact O-CB 3.44Å; W33-D36 PolarHBondContact O-N 2.94Å; W33-R52 VanDerWaalsContact CD2-CZ 3.48Å; W33-R52 HydrophobicContact CE3-CG 4.08Å; W33-R52 VanDerWaalsContact CZ3-CD 3.5Å; W33-R52 HydrophobicContact CZ3-CG 4.16Å; W33-W94 VanDerWaalsContact O-CB 3.25Å; W33-W94 WeakPolarHBondContact O-CB 3.3Å; W33-R151 HydrophobicContact CD2-CG 4.05Å; W33-R151 HydrophobicContact CE3-CG 4.06Å; W33-R151 HydrophobicContact CH2-CB 4.26Å; W33-R151 HydrophobicContact CH2-CG 4.06Å; W33-R151 HydrophobicContact CZ2-CB 3.87Å; W33-R151 HydrophobicContact CZ2-CG 4.03Å; W33-R151 HydrophobicContact CZ3-CG 4.05Å
34	P	87.1	Confident	89.8	Confident	24 Å²	24	38.5 Å²	38.5	16%	0.156	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-29.3	176.9	-22.1	31.1	0	0	0	114.1	E95	P34-E95 HydrophobicContact CB-CG 3.67Å; P34-E95 WeakPolarHBondContact CB-OE1 3.49Å
35	E	89.5	Confident	89.9	Confident	40 Å²	40	40.3 Å²	40.3	19%	0.187	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-16.1	177.7	-68.5	163	-147	0	0	113.2	W33 L53 R151	W33-E35 PolarHBondContact O-N 3.5Å; W33-E35 VanDerWaalsContact O-N 3.11Å; E35-L53 HydrophobicContact CB-CB 4.3Å; E35-L53 WeakPolarHBondContact O-CB 3.44Å; E35-L53 WeakPolarHBondContact O-CD1 3.3Å; E35-L53 WeakPolarHBondContact O-CG 3.32Å; E35-R151 IonicContact OE1-CZ 2.64Å; E35-R151 IonicContact OE1-NH2 3.52Å; E35-R151 PolarHBondContact OE1-NH2 3.38Å
36	D	93.1	Very high	90.1	Very high	2 Å²	2	40.5 Å²	40.5	1%	0.011	21%	0.212	C	C	.	.	P	Polyproline II helix	trans	-67.6	141.5	-176.8	-65.5	-19.8	0	0	0	110.4	W33 L51 R52 W94	W33-D36 WeakPolarHBondContact CB-OD2 3.26Å; W33-D36 PolarHBondContact N-OD2 2.95Å; W33-D36 WeakPolarHBondContact O-CB 3.44Å; W33-D36 PolarHBondContact O-N 2.94Å; D36-L51 CarbonylContact C-O 3.55Å; D36-L51 VanDerWaalsContact CA-O 3.31Å; D36-L51 WeakPolarHBondContact CA-O 3.37Å; D36-R52 VanDerWaalsContact OD1-CA 3.26Å; D36-R52 WeakPolarHBondContact OD1-CA 3.27Å; D36-R52 WeakPolarHBondContact OD1-CB 3.39Å; D36-R52 WeakPolarHBondContact OD1-CG 3.29Å; D36-R52 IonicContact OD1-CZ 3.48Å; D36-R52 IonicContact OD1-NE 2.88Å; D36-R52 PolarHBondContact OD1-NE 3.38Å; D36-R52 IonicContact OD1-NH2 2.71Å; D36-R52 IonicContact OD2-CZ 2.9Å; D36-R52 IonicContact OD2-NE 3.66Å; D36-R52 IonicContact OD2-NH2 3.84Å; D36-R52 PolarHBondContact OD2-NH2 3.34Å; D36-W94 HydrophobicContact CB-CB 4.37Å; D36-W94 WeakPolarHBondContact O-CB 3.21Å; D36-W94 PolarHBondContact O-N 2.9Å
37	V	94.4	Very high	90.3	Very high	2 Å²	2	39.3 Å²	39.3	1%	0.012	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	121.9	174.6	-176.5	0	0	0	0	108.8	F39 Y50 L51 L53 L59 Y91	V37-F39 HydrophobicContact CB-CE2 3.89Å; V37-F39 HydrophobicContact CB-CZ 4.41Å; V37-F39 HydrophobicContact CG1-CD2 4.25Å; V37-F39 HydrophobicContact CG1-CE2 3.53Å; V37-F39 HydrophobicContact CG1-CZ 3.75Å; V37-F39 WeakPolarHBondContact O-CD2 3.3Å; V37-F39 WeakPolarHBondContact O-CE2 2.91Å; V37-Y50 CarbonylContact O-C 3.5Å; V37-Y50 WeakPolarHBondContact O-CA 3.27Å; V37-L51 HydrophobicContact CB-CB 4.31Å; V37-L51 PolarHBondContact N-O 3.06Å; V37-L51 PolarHBondContact O-N 2.87Å; V37-L53 HydrophobicContact CG2-CD1 3.74Å; V37-L53 HydrophobicContact CG2-CD2 4.09Å; V37-L53 HydrophobicContact CG2-CG 3.92Å; V37-L59 HydrophobicContact CG1-CD1 3.99Å; V37-L59 HydrophobicContact CG2-CD1 4.2Å; V37-L59 HydrophobicContact CG2-CG 4.46Å; V37-Y91 HydrophobicContact CG1-CD2 4.11Å
38	W	95.2	Very high	90.6	Very high	6 Å²	6	34.8 Å²	34.8	2%	0.023	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	141.1	178.2	176.2	77.7	0	0	0	111.3	H40 H48 V49 Y50 V90 Y91 T92 L97 F110	W38-H40 HydrophobicContact CD2-CB 4.49Å; W38-H40 HydrophobicContact CE3-CB 4.29Å; W38-H40 HydrophobicContact CH2-CB 3.09Å; W38-H40 AromaticContact CH2-CG 3.65Å; W38-H40 HydrophobicContact CZ2-CB 3.29Å; W38-H40 AromaticContact CZ2-CG 3.75Å; W38-H40 HydrophobicContact CZ3-CB 3.6Å; W38-H48 AromaticContact CE2-ND1 3.98Å; W38-H48 AromaticContact CZ2-CE1 3.91Å; W38-H48 AromaticContact CZ2-NE2 3.83Å; W38-H48 AromaticContact NE1-CD2 3.93Å; W38-H48 AromaticContact NE1-CE1 3.9Å; W38-H48 AromaticContact NE1-CG 3.25Å; W38-H48 VanDerWaalsContact NE1-CG 3.25Å; W38-H48 AromaticContact NE1-ND1 3.24Å; W38-H48 PolarHBondContact NE1-ND1 2.91Å; W38-V49 CarbonylContact C-O 3.51Å; W38-V49 WeakPolarHBondContact CA-O 3.43Å; W38-Y50 HydrophobicContact CB-CD1 4.19Å; W38-Y50 HydrophobicContact CB-CE1 4.08Å; W38-Y50 AromaticContact CD1-CD1 3.96Å; W38-Y50 AromaticContact CD1-CE1 3.32Å; W38-Y50 AromaticContact CD1-CZ 3.32Å; W38-Y50 VanDerWaalsContact CD1-OH 3.27Å; W38-Y50 HydrophobicContact CG-CE1 4.04Å; W38-Y50 AromaticContact NE1-CZ 3.9Å; W38-Y50 PolarHBondContact NE1-OH 2.93Å; W38-V90 HydrophobicContact CH2-CG2 4.45Å; W38-V90 HydrophobicContact CZ3-CG2 3.9Å; W38-Y91 CarbonylContact O-C 3.56Å; W38-Y91 WeakPolarHBondContact O-CA 3.49Å; W38-Y91 WeakPolarHBondContact O-CB 3.22Å; W38-T92 HydrophobicContact CE3-CG2 4.26Å; W38-T92 PolarHBondContact N-O 3.48Å; W38-T92 PolarHBondContact O-N 2.83Å; W38-L97 HydrophobicContact CB-CD1 3.82Å; W38-L97 HydrophobicContact CB-CD2 4.24Å; W38-L97 HydrophobicContact CB-CG 4.45Å; W38-L97 HydrophobicContact CD2-CD1 4.32Å; W38-L97 HydrophobicContact CD2-CD2 3.81Å; W38-L97 HydrophobicContact CE3-CD2 3.8Å; W38-L97 HydrophobicContact CG-CD1 3.79Å; W38-L97 HydrophobicContact CG-CD2 4.07Å; W38-L97 HydrophobicContact CZ3-CD2 4.38Å; W38-F110 HydrophobicContact CE3-CE1 4.13Å; W38-F110 HydrophobicContact CH2-CE1 4.14Å; W38-F110 HydrophobicContact CH2-CZ 4.05Å; W38-F110 AromaticContact CZ3-CE1 3.55Å; W38-F110 HydrophobicContact CZ3-CE1 3.55Å; W38-F110 AromaticContact CZ3-CZ 3.62Å; W38-F110 HydrophobicContact CZ3-CZ 3.62Å
39	F	95.8	Very high	90.8	Very high	1 Å²	1	34.4 Å²	34.4	0%	0.004	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	141.7	179	-61.2	-105.3	0	0	0	111.4	V37 V49 L51 I67 C70 V74 V89 V90 Y91	V37-F39 HydrophobicContact CB-CE2 3.89Å; V37-F39 HydrophobicContact CB-CZ 4.41Å; V37-F39 HydrophobicContact CG1-CD2 4.25Å; V37-F39 HydrophobicContact CG1-CE2 3.53Å; V37-F39 HydrophobicContact CG1-CZ 3.75Å; V37-F39 WeakPolarHBondContact O-CD2 3.3Å; V37-F39 WeakPolarHBondContact O-CE2 2.91Å; F39-V49 HydrophobicContact CB-CB 4.27Å; F39-V49 PolarHBondContact N-O 3.46Å; F39-V49 PolarHBondContact O-N 3.32Å; F39-L51 HydrophobicContact CE2-CB 3.72Å; F39-L51 HydrophobicContact CE2-CD2 4.42Å; F39-L51 HydrophobicContact CZ-CD2 4.49Å; F39-I67 HydrophobicContact CE1-CG2 4.14Å; F39-C70 HydrophobicContact CD1-CB 3.94Å; F39-C70 HydrophobicContact CD2-CB 4.01Å; F39-C70 HydrophobicContact CE1-CB 3.86Å; F39-C70 HydrophobicContact CE2-CB 3.91Å; F39-C70 HydrophobicContact CG-CB 4.05Å; F39-C70 HydrophobicContact CZ-CB 3.84Å; F39-V74 HydrophobicContact CB-CG2 3.6Å; F39-V89 HydrophobicContact CB-CG1 4.36Å; F39-V89 HydrophobicContact CD1-CG1 4.31Å; F39-V90 WeakPolarHBondContact CA-O 3.44Å; F39-Y91 HydrophobicContact CD1-CD1 4.41Å; F39-Y91 AromaticContact CD1-CG 4Å; F39-Y91 HydrophobicContact CD1-CG 4Å; F39-Y91 VanDerWaalsContact CE1-CB 3.45Å; F39-Y91 HydrophobicContact CE1-CD1 4.19Å; F39-Y91 HydrophobicContact CE1-CD2 4.09Å; F39-Y91 AromaticContact CE1-CG 3.67Å; F39-Y91 HydrophobicContact CE1-CG 3.67Å; F39-Y91 HydrophobicContact CZ-CD2 4.37Å; F39-Y91 HydrophobicContact CZ-CG 4.33Å
40	H	94.5	Very high	91.1	Very high	35 Å²	35	33.9 Å²	33.9	16%	0.162	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	153.4	177.4	-175.7	-97.8	0	0	0	111.3	W38 L44 S46 H48 V89 V90	W38-H40 HydrophobicContact CD2-CB 4.49Å; W38-H40 HydrophobicContact CE3-CB 4.29Å; W38-H40 HydrophobicContact CH2-CB 3.09Å; W38-H40 AromaticContact CH2-CG 3.65Å; W38-H40 HydrophobicContact CZ2-CB 3.29Å; W38-H40 AromaticContact CZ2-CG 3.75Å; W38-H40 HydrophobicContact CZ3-CB 3.6Å; H40-L44 PolarHBondContact CE1-O 3.5Å; H40-L44 PolarHBondContact NE2-O 3Å; H40-S46 PolarHBondContact CD2-OG 2.92Å; H40-S46 PolarHBondContact NE2-N 2.97Å; H40-S46 PolarHBondContact NE2-O 3.49Å; H40-S46 PolarHBondContact NE2-OG 2.88Å; H40-H48 AromaticContact CD2-CD2 3.52Å; H40-H48 AromaticContact CD2-NE2 3.74Å; H40-V89 CarbonylContact O-C 3.53Å; H40-V89 WeakPolarHBondContact O-CA 3.41Å; H40-V89 WeakPolarHBondContact O-CG1 3.39Å; H40-V90 HydrophobicContact CB-CG2 4.19Å; H40-V90 PolarHBondContact N-O 3Å; H40-V90 VanDerWaalsContact O-CG2 3.27Å; H40-V90 WeakPolarHBondContact O-CG2 3.35Å; H40-V90 PolarHBondContact O-N 3.33Å
41	V	93.6	Very high	91.4	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	132.6	173.7	-179.9	0	0	0	0	110.6	A43 L44 S46 V74 V87 V89	V41-A43 PolarHBondContact O-N 3.42Å; V41-L44 HydrophobicContact CB-CB 4.31Å; V41-L44 HydrophobicContact CG1-CB 3.74Å; V41-L44 HydrophobicContact CG1-CD1 3.89Å; V41-L44 HydrophobicContact CG1-CG 4.09Å; V41-S46 WeakPolarHBondContact CB-OG 3.42Å; V41-S46 PolarHBondContact N-OG 3.48Å; V41-V74 HydrophobicContact CG2-CG1 3.74Å; V41-V87 HydrophobicContact CB-CG1 4.35Å; V41-V87 HydrophobicContact CG1-CG1 3.34Å; V41-V87 HydrophobicContact CG2-CG1 4.05Å; V41-V89 HydrophobicContact CG2-CG2 4.45Å
42	D	91.8	Very high	91.6	Very high	62 Å²	62	23.5 Å²	23.5	33%	0.332	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	130.7	174.4	-154.5	3	0	0	0	110.2	L44 T88 V90 K118	D42-L44 PolarHBondContact O-N 2.96Å; D42-T88 HydrophobicContact CB-CG2 4Å; D42-T88 WeakPolarHBondContact CB-O 3.47Å; D42-T88 PolarHBondContact N-O 3.24Å; D42-V90 HydrophobicContact CB-CG1 3.88Å; D42-K118 IonicContact OD2-NZ 3.24Å; D42-K118 PolarHBondContact OD2-NZ 3.44Å
43	A	85.6	Confident	91.8	Very high	100 Å²	100	23.6 Å²	23.6	83%	0.826	14%	0.143	S	C	*	.	T	Hydrogen-bonded Turn	trans	59	4.9	175.7	0	0	0	0	0	118.3	V41	V41-A43 PolarHBondContact O-N 3.42Å
44	L	89.9	Confident	91.7	Very high	40 Å²	40	25.2 Å²	25.2	21%	0.209	15%	0.151	C	C	.	.	S	Bend	trans	-124.8	151.1	178.3	-59.2	174.7	0	0	0	111.5	H40 V41 D42 S46 Q80 L84	H40-L44 PolarHBondContact CE1-O 3.5Å; H40-L44 PolarHBondContact NE2-O 3Å; V41-L44 HydrophobicContact CB-CB 4.31Å; V41-L44 HydrophobicContact CG1-CB 3.74Å; V41-L44 HydrophobicContact CG1-CD1 3.89Å; V41-L44 HydrophobicContact CG1-CG 4.09Å; D42-L44 PolarHBondContact O-N 2.96Å; L44-S46 PolarHBondContact O-N 2.95Å; L44-Q80 HydrophobicContact CD1-CB 4.49Å; L44-Q80 HydrophobicContact CD2-CB 4.34Å; L44-L84 HydrophobicContact CD1-CD1 3.79Å
45	S	88.6	Confident	91.5	Very high	81 Å²	81	28.3 Å²	28.3	57%	0.566	16%	0.163	S	C	*	.			trans	-66.7	121.8	173.6	-167.6	0	0	0	0	110.1	S78 I79	S45-S78 PolarHBondContact O-OG 3.49Å; S45-I79 PolarHBondContact O-N 2.91Å
46	S	90.1	Very high	91.2	Very high	12 Å²	12	29.9 Å²	29.9	8%	0.084	19%	0.191	C	C	.	.	B	Isolated β-bridge	trans	-147.2	159.4	177.8	61.9	0	0	0	0	111.9	H40 V41 L44	H40-S46 PolarHBondContact CD2-OG 2.92Å; H40-S46 PolarHBondContact NE2-N 2.97Å; H40-S46 PolarHBondContact NE2-O 3.49Å; H40-S46 PolarHBondContact NE2-OG 2.88Å; V41-S46 WeakPolarHBondContact CB-OG 3.42Å; V41-S46 PolarHBondContact N-OG 3.48Å; L44-S46 PolarHBondContact O-N 2.95Å
47	A	91.3	Very high	90.9	Very high	17 Å²	17	31 Å²	31	14%	0.14	20%	0.196	C	C	.	.			trans	-62.5	147.7	171.8	0	0	0	0	0	110.9	M18 N77	M18-A47 HydrophobicContact CG-CB 3.89Å; M18-A47 HydrophobicContact SD-CB 3.85Å; A47-N77 HydrophobicContact CB-CB 3.73Å; A47-N77 PolarHBondContact N-O 2.87Å; A47-N77 VanDerWaalsContact N-O 3.1Å
48	H	91.7	Very high	90.6	Very high	7 Å²	7	33.6 Å²	33.6	3%	0.032	21%	0.212	C	C	.	.			trans	-85.5	123.7	172.8	-68.8	-168.8	0	0	0	109.1	M18 N25 W38 H40 Y50 G106	M18-H48 WeakPolarHBondContact CA-O 3.46Å; N25-H48 HydrophobicContact CB-CB 4.22Å; W38-H48 AromaticContact CE2-ND1 3.98Å; W38-H48 AromaticContact CZ2-CE1 3.91Å; W38-H48 AromaticContact CZ2-NE2 3.83Å; W38-H48 AromaticContact NE1-CD2 3.93Å; W38-H48 AromaticContact NE1-CE1 3.9Å; W38-H48 AromaticContact NE1-CG 3.25Å; W38-H48 VanDerWaalsContact NE1-CG 3.25Å; W38-H48 AromaticContact NE1-ND1 3.24Å; W38-H48 PolarHBondContact NE1-ND1 2.91Å; H40-H48 AromaticContact CD2-CD2 3.52Å; H40-H48 AromaticContact CD2-NE2 3.74Å; H48-Y50 HydrophobicContact CB-CE2 3.72Å; H48-Y50 PolarHBondContact ND1-OH 3.43Å; H48-G106 PolarHBondContact CE1-O 2.9Å; H48-G106 PolarHBondContact NE2-O 2.87Å
49	V	94.2	Very high	90.2	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	134.8	177	176.5	0	0	0	0	109	I16 Y17 M18 W38 F39 C70 L73 V74	I16-V49 HydrophobicContact CG2-CG1 3.32Å; Y17-V49 CarbonylContact O-C 3.53Å; Y17-V49 WeakPolarHBondContact O-CA 3.41Å; M18-V49 HydrophobicContact CB-CG2 4.27Å; M18-V49 HydrophobicContact CG-CG2 3.93Å; M18-V49 HydrophobicContact SD-CG2 3.96Å; W38-V49 CarbonylContact C-O 3.51Å; W38-V49 WeakPolarHBondContact CA-O 3.43Å; F39-V49 HydrophobicContact CB-CB 4.27Å; F39-V49 PolarHBondContact N-O 3.46Å; F39-V49 PolarHBondContact O-N 3.32Å; V49-C70 HydrophobicContact CG1-CB 4.5Å; V49-L73 HydrophobicContact CG1-CD2 4.15Å; V49-L73 HydrophobicContact CG2-CD2 4.16Å; V49-L73 HydrophobicContact CG2-CG 4.31Å; V49-V74 HydrophobicContact CB-CG2 3.55Å; V49-V74 HydrophobicContact CG1-CG2 4.42Å; V49-V74 HydrophobicContact CG2-CB 4.37Å; V49-V74 HydrophobicContact CG2-CG2 3.4Å; V49-V74 VanDerWaalsContact CG2-CG2 3.4Å
50	Y	93.9	Very high	89.8	Confident	3 Å²	3	40.5 Å²	40.5	1%	0.012	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	121.5	178.9	-59.4	-95.6	0	0	0	109.5	I16 Y17 L28 I29 V37 W38 H48 L97	I16-Y50 CarbonylContact C-O 3.52Å; I16-Y50 VanDerWaalsContact CA-O 3.29Å; I16-Y50 WeakPolarHBondContact CA-O 3.46Å; Y17-Y50 PolarHBondContact N-O 3.44Å; Y17-Y50 PolarHBondContact O-N 2.96Å; L28-Y50 HydrophobicContact CB-CD2 4.1Å; L28-Y50 HydrophobicContact CB-CE2 3.59Å; L28-Y50 HydrophobicContact CD1-CD2 4.02Å; L28-Y50 HydrophobicContact CD1-CE2 3.91Å; L28-Y50 HydrophobicContact CG-CE2 4.34Å; I29-Y50 WeakPolarHBondContact CG1-OH 3.48Å; V37-Y50 CarbonylContact O-C 3.5Å; V37-Y50 WeakPolarHBondContact O-CA 3.27Å; W38-Y50 HydrophobicContact CB-CD1 4.19Å; W38-Y50 HydrophobicContact CB-CE1 4.08Å; W38-Y50 AromaticContact CD1-CD1 3.96Å; W38-Y50 AromaticContact CD1-CE1 3.32Å; W38-Y50 AromaticContact CD1-CZ 3.32Å; W38-Y50 VanDerWaalsContact CD1-OH 3.27Å; W38-Y50 HydrophobicContact CG-CE1 4.04Å; W38-Y50 AromaticContact NE1-CZ 3.9Å; W38-Y50 PolarHBondContact NE1-OH 2.93Å; H48-Y50 HydrophobicContact CB-CE2 3.72Å; H48-Y50 PolarHBondContact ND1-OH 3.43Å; Y50-L97 HydrophobicContact CE1-CD1 4.37Å
51	L	94.5	Very high	89.6	Confident	1 Å²	1	43.3 Å²	43.3	1%	0.005	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	122.6	170	178.3	70.7	0	0	0	108.7	Y14 I16 D36 V37 F39 L53 V62 V66	Y14-L51 HydrophobicContact CD1-CD1 4.13Å; Y14-L51 HydrophobicContact CD1-CG 4.5Å; Y14-L51 HydrophobicContact CG-CD1 4.15Å; I16-L51 HydrophobicContact CD1-CD1 4.49Å; I16-L51 HydrophobicContact CG1-CD1 3.72Å; D36-L51 CarbonylContact C-O 3.55Å; D36-L51 VanDerWaalsContact CA-O 3.31Å; D36-L51 WeakPolarHBondContact CA-O 3.37Å; V37-L51 HydrophobicContact CB-CB 4.31Å; V37-L51 PolarHBondContact N-O 3.06Å; V37-L51 PolarHBondContact O-N 2.87Å; F39-L51 HydrophobicContact CE2-CB 3.72Å; F39-L51 HydrophobicContact CE2-CD2 4.42Å; F39-L51 HydrophobicContact CZ-CD2 4.49Å; L51-L53 HydrophobicContact CD2-CD2 4.09Å; L51-L53 HydrophobicContact CG-CD2 4.36Å; L51-V62 HydrophobicContact CD2-CG1 3.74Å; L51-V62 HydrophobicContact CD2-CG2 4.42Å; L51-V66 HydrophobicContact CD1-CG1 3.78Å; L51-V66 HydrophobicContact CD2-CG1 4Å
52	R	92.2	Very high	89.4	Confident	25 Å²	25	43.7 Å²	43.7	9%	0.094	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	115.3	175.8	-179.2	153.4	-71	168	3.9	111	F15 Y17 W33 D36 E147	F15-R52 HydrophobicContact CB-CB 4.37Å; F15-R52 PolarHBondContact O-N 2.95Å; Y17-R52 HydrophobicContact CD2-CB 4.37Å; Y17-R52 HydrophobicContact CE2-CB 3.74Å; Y17-R52 PolarHBondContact OH-NH1 2.93Å; W33-R52 VanDerWaalsContact CD2-CZ 3.48Å; W33-R52 HydrophobicContact CE3-CG 4.08Å; W33-R52 VanDerWaalsContact CZ3-CD 3.5Å; W33-R52 HydrophobicContact CZ3-CG 4.16Å; D36-R52 VanDerWaalsContact OD1-CA 3.26Å; D36-R52 WeakPolarHBondContact OD1-CA 3.27Å; D36-R52 WeakPolarHBondContact OD1-CB 3.39Å; D36-R52 WeakPolarHBondContact OD1-CG 3.29Å; D36-R52 IonicContact OD1-CZ 3.48Å; D36-R52 IonicContact OD1-NE 2.88Å; D36-R52 PolarHBondContact OD1-NE 3.38Å; D36-R52 IonicContact OD1-NH2 2.71Å; D36-R52 IonicContact OD2-CZ 2.9Å; D36-R52 IonicContact OD2-NE 3.66Å; D36-R52 IonicContact OD2-NH2 3.84Å; D36-R52 PolarHBondContact OD2-NH2 3.34Å; R52-E147 IonicContact NH1-OE2 2.7Å; R52-E147 PolarHBondContact NH1-OE2 2.87Å
53	L	92.2	Very high	89.4	Confident	6 Å²	6	43 Å²	43	3%	0.031	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-76.5	159.7	175.2	-59.9	-171.6	0	0	0	111.3	Y14 E35 V37 L51 E57 V62	Y14-L53 HydrophobicContact CE1-CD2 4.42Å; E35-L53 HydrophobicContact CB-CB 4.3Å; E35-L53 WeakPolarHBondContact O-CB 3.44Å; E35-L53 WeakPolarHBondContact O-CD1 3.3Å; E35-L53 WeakPolarHBondContact O-CG 3.32Å; V37-L53 HydrophobicContact CG2-CD1 3.74Å; V37-L53 HydrophobicContact CG2-CD2 4.09Å; V37-L53 HydrophobicContact CG2-CG 3.92Å; L51-L53 HydrophobicContact CD2-CD2 4.09Å; L51-L53 HydrophobicContact CG-CD2 4.36Å; L53-E57 HydrophobicContact CB-CB 4.32Å; L53-V62 HydrophobicContact CD1-CG2 4.5Å; L53-V62 HydrophobicContact CD2-CG2 3.28Å
54	K	87	Confident	89.7	Confident	65 Å²	65	41.7 Å²	41.7	28%	0.283	26%	0.256	S	S	.	.	P	Polyproline II helix	trans	-79.9	155.6	173.7	-62	161.8	-166.8	168.7	0	109.3	P12 G56 E57	P12-K54 HydrophobicContact CG-CD 4.15Å; P12-K54 WeakPolarHBondContact O-CE 3.24Å; P12-K54 PolarHBondContact O-NZ 3.04Å; K54-G56 PolarHBondContact O-N 3.26Å; K54-G56 VanDerWaalsContact O-N 3.08Å; K54-E57 HydrophobicContact CB-CB 4.33Å; K54-E57 WeakPolarHBondContact CB-OE2 3.36Å; K54-E57 PolarHBondContact N-OE2 2.93Å; K54-E57 VanDerWaalsContact N-OE2 3.13Å; K54-E57 VanDerWaalsContact O-CB 3.27Å; K54-E57 WeakPolarHBondContact O-CB 3.41Å; K54-E57 PolarHBondContact O-N 3.44Å
55	E	83	Confident	89.9	Confident	89 Å²	89	42.3 Å²	42.3	42%	0.416	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	118.3	179.5	-65.8	-175.6	174.6	0	0	110.2	R154 K158	E55-R154 IonicContact OE1-CZ 3.94Å; E55-R154 VanDerWaalsContact OE1-CZ 3.28Å; E55-R154 IonicContact OE1-NE 3.17Å; E55-R154 PolarHBondContact OE1-NE 3.36Å; E55-R154 VanDerWaalsContact OE1-NE 3.09Å; E55-R154 IonicContact OE1-NH2 3.43Å; E55-R154 PolarHBondContact OE1-NH2 2.8Å; E55-K158 IonicContact OE1-NZ 2.72Å; E55-K158 IonicContact OE2-NZ 3.28Å; E55-K158 PolarHBondContact OE2-NZ 3.18Å
56	G	83.1	Confident	90.1	Very high	74 Å²	74	38.4 Å²	38.4	76%	0.763	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	89.7	-3.3	179.4	0	0	0	0	0	115.8	K54	K54-G56 PolarHBondContact O-N 3.26Å; K54-G56 VanDerWaalsContact O-N 3.08Å
57	E	87.3	Confident	90.3	Very high	26 Å²	26	38.6 Å²	38.6	12%	0.121	24%	0.239	C	C	.	.			trans	-78.4	140.6	176.8	-168.2	178.8	177.3	0	0	111.1	Y14 L53 K54 D61	Y14-E57 WeakPolarHBondContact CE1-OE1 3.4Å; Y14-E57 WeakPolarHBondContact CE1-OE2 3.45Å; Y14-E57 VanDerWaalsContact CZ-OE1 3.3Å; Y14-E57 VanDerWaalsContact OH-CD 3.32Å; Y14-E57 PolarHBondContact OH-OE1 3.37Å; Y14-E57 PolarHBondContact OH-OE2 3.24Å; L53-E57 HydrophobicContact CB-CB 4.32Å; K54-E57 HydrophobicContact CB-CB 4.33Å; K54-E57 WeakPolarHBondContact CB-OE2 3.36Å; K54-E57 PolarHBondContact N-OE2 2.93Å; K54-E57 VanDerWaalsContact N-OE2 3.13Å; K54-E57 VanDerWaalsContact O-CB 3.27Å; K54-E57 WeakPolarHBondContact O-CB 3.41Å; K54-E57 PolarHBondContact O-N 3.44Å; E57-D61 HydrophobicContact CG-CB 3.57Å
58	T	87.4	Confident	90.4	Very high	56 Å²	56	41 Å²	41	34%	0.344	25%	0.248	S	C	.	.			trans	-103.1	168	174	70.1	0	0	0	0	111.1	D60 D61	T58-D60 PolarHBondContact O-N 2.82Å; T58-D61 WeakPolarHBondContact CA-OD2 3.31Å; T58-D61 WeakPolarHBondContact CB-OD2 3.29Å; T58-D61 PolarHBondContact N-OD2 2.8Å; T58-D61 WeakPolarHBondContact O-CB 3.3Å; T58-D61 PolarHBondContact O-N 3.17Å; T58-D61 VanDerWaalsContact O-N 3.1Å; T58-D61 PolarHBondContact OG1-OD2 2.74Å
59	L	86.9	Confident	90.5	Very high	16 Å²	16	41 Å²	41	8%	0.084	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-63.9	-25.6	-179.2	-176.4	154.3	0	0	0	111.9	V37 D61 Y91 K93 Q117	V37-L59 HydrophobicContact CG1-CD1 3.99Å; V37-L59 HydrophobicContact CG2-CD1 4.2Å; V37-L59 HydrophobicContact CG2-CG 4.46Å; L59-D61 VanDerWaalsContact C-N 3.33Å; L59-Y91 HydrophobicContact CD1-CD2 4.04Å; L59-Y91 HydrophobicContact CD1-CE2 4.22Å; L59-Y91 HydrophobicContact CD2-CD2 4.43Å; L59-Y91 HydrophobicContact CD2-CE2 3.78Å; L59-Y91 HydrophobicContact CG-CD2 4.5Å; L59-Y91 HydrophobicContact CG-CE2 4.29Å; L59-K93 HydrophobicContact CD1-CG 4.3Å; L59-Q117 VanDerWaalsContact CD2-CD 3.41Å
60	D	87.2	Confident	90.6	Very high	135 Å²	135	41 Å²	41	72%	0.722	25%	0.247	S	C	*	.	G	3₁₀ helix	trans	-77.2	-19.2	177.7	-57.2	-39	0	0	0	113	T58 V62	T58-D60 PolarHBondContact O-N 2.82Å; D60-V62 VanDerWaalsContact C-N 3.34Å
61	D	89.5	Confident	90.6	Very high	94 Å²	94	40.8 Å²	40.8	50%	0.503	25%	0.247	S	C	.	.	G	3₁₀ helix	trans	-82	-16.2	178.8	-61.2	-54.9	0	0	0	112.4	E57 T58 L59 P63	E57-D61 HydrophobicContact CG-CB 3.57Å; T58-D61 WeakPolarHBondContact CA-OD2 3.31Å; T58-D61 WeakPolarHBondContact CB-OD2 3.29Å; T58-D61 PolarHBondContact N-OD2 2.8Å; T58-D61 WeakPolarHBondContact O-CB 3.3Å; T58-D61 PolarHBondContact O-N 3.17Å; T58-D61 VanDerWaalsContact O-N 3.1Å; T58-D61 PolarHBondContact OG1-OD2 2.74Å; L59-D61 VanDerWaalsContact C-N 3.33Å; D61-P63 WeakPolarHBondContact O-CD 3.49Å
62	V	90.5	Very high	90.6	Very high	9 Å²	9	41.4 Å²	41.4	6%	0.055	25%	0.25	C	C	.	.	S	Bend	trans	-72.9	124.1	-177.5	-174.5	0	0	0	0	109.9	L51 L53 D60 A64 V66 I67	L51-V62 HydrophobicContact CD2-CG1 3.74Å; L51-V62 HydrophobicContact CD2-CG2 4.42Å; L53-V62 HydrophobicContact CD1-CG2 4.5Å; L53-V62 HydrophobicContact CD2-CG2 3.28Å; D60-V62 VanDerWaalsContact C-N 3.34Å; V62-A64 PolarHBondContact O-N 3.36Å; V62-V66 HydrophobicContact CG1-CB 4.03Å; V62-V66 HydrophobicContact CG1-CG1 4.16Å; V62-I67 HydrophobicContact CB-CD1 4.2Å; V62-I67 HydrophobicContact CB-CG1 4.31Å; V62-I67 HydrophobicContact CG1-CD1 4.25Å; V62-I67 HydrophobicContact CG1-CG1 3.81Å
63	P	92.4	Very high	90.7	Very high	47 Å²	47	40.3 Å²	40.3	31%	0.305	25%	0.246	S	C	.	.			trans	-60.3	135.9	178.6	-28.8	39.9	0	0	0	111.9	V10 D61 A65 V66 I67	V10-P63 HydrophobicContact CG2-CB 4.31Å; V10-P63 HydrophobicContact CG2-CG 3.9Å; D61-P63 WeakPolarHBondContact O-CD 3.49Å; P63-A65 PolarHBondContact O-N 3.42Å; P63-V66 HydrophobicContact CB-CG2 4.32Å; P63-V66 WeakPolarHBondContact O-CB 3.16Å; P63-V66 PolarHBondContact O-N 3.48Å; P63-I67 PolarHBondContact O-N 2.94Å
64	A	91.9	Very high	90.7	Very high	73 Å²	73	40 Å²	40	60%	0.603	24%	0.244	S	C	*	.	H	α-helix	trans	-54	-30	-179.5	0	0	0	0	0	113.1	V62 V66 I67 Q68	V62-A64 PolarHBondContact O-N 3.36Å; A64-V66 PolarHBondContact O-N 3.48Å; A64-I67 PolarHBondContact O-N 2.92Å; A64-Q68 WeakPolarHBondContact O-CB 3.3Å; A64-Q68 VanDerWaalsContact O-CG 3.24Å; A64-Q68 WeakPolarHBondContact O-CG 3.43Å; A64-Q68 PolarHBondContact O-N 3.1Å
65	A	92.2	Very high	91	Very high	52 Å²	52	37 Å²	37	43%	0.43	23%	0.231	S	C	.	.	H	α-helix	trans	-64.4	-36.3	175.4	0	0	0	0	0	113	L9 P63 Q68 D69	L9-A65 HydrophobicContact CD1-CB 3.84Å; P63-A65 PolarHBondContact O-N 3.42Å; A65-Q68 PolarHBondContact O-N 2.9Å; A65-D69 PolarHBondContact O-N 3.42Å
66	V	93.6	Very high	91.5	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-71.9	-39.6	176.4	-179.8	0	0	0	0	110.6	V10 Y14 L51 V62 P63 A64 Q68 D69 C70	V10-V66 HydrophobicContact CG2-CG2 3.88Å; Y14-V66 HydrophobicContact CD2-CG1 4.06Å; Y14-V66 HydrophobicContact CD2-CG2 3.91Å; Y14-V66 HydrophobicContact CE2-CG2 4.14Å; Y14-V66 HydrophobicContact CG-CG1 4.1Å; L51-V66 HydrophobicContact CD1-CG1 3.78Å; L51-V66 HydrophobicContact CD2-CG1 4Å; V62-V66 HydrophobicContact CG1-CB 4.03Å; V62-V66 HydrophobicContact CG1-CG1 4.16Å; P63-V66 HydrophobicContact CB-CG2 4.32Å; P63-V66 WeakPolarHBondContact O-CB 3.16Å; P63-V66 PolarHBondContact O-N 3.48Å; A64-V66 PolarHBondContact O-N 3.48Å; V66-Q68 VanDerWaalsContact C-N 3.33Å; V66-D69 WeakPolarHBondContact O-CB 3.41Å; V66-D69 PolarHBondContact O-N 3.29Å; V66-C70 PolarHBondContact O-N 3.48Å; V66-C70 PolarHBondContact O-SG 3.45Å
67	I	94.5	Very high	92	Very high	15 Å²	15	35.2 Å²	35.2	8%	0.077	21%	0.205	C	C	.	.	H	α-helix	trans	-60.9	-44	173.4	-68.8	170.8	0	0	0	110.3	F39 V62 P63 A64 C70 A71 Y91 I119	F39-I67 HydrophobicContact CE1-CG2 4.14Å; V62-I67 HydrophobicContact CB-CD1 4.2Å; V62-I67 HydrophobicContact CB-CG1 4.31Å; V62-I67 HydrophobicContact CG1-CD1 4.25Å; V62-I67 HydrophobicContact CG1-CG1 3.81Å; P63-I67 PolarHBondContact O-N 2.94Å; A64-I67 PolarHBondContact O-N 2.92Å; I67-C70 PolarHBondContact O-N 2.89Å; I67-A71 WeakPolarHBondContact O-CB 3.39Å; I67-A71 PolarHBondContact O-N 2.84Å; I67-Y91 HydrophobicContact CD1-CE2 4.44Å; I67-Y91 HydrophobicContact CG2-CE1 4.37Å; I67-I119 HydrophobicContact CG2-CD1 3.71Å
68	Q	93.6	Very high	92.2	Very high	69 Å²	69	34.1 Å²	34.1	32%	0.322	20%	0.2	S	C	.	.	H	α-helix	trans	-62.4	-41.3	175.9	-76.4	-71	-15.6	0	0	112.3	A64 A65 V66 C70 A71 Q72 I119	A64-Q68 WeakPolarHBondContact O-CB 3.3Å; A64-Q68 VanDerWaalsContact O-CG 3.24Å; A64-Q68 WeakPolarHBondContact O-CG 3.43Å; A64-Q68 PolarHBondContact O-N 3.1Å; A65-Q68 PolarHBondContact O-N 2.9Å; V66-Q68 VanDerWaalsContact C-N 3.33Å; Q68-C70 PolarHBondContact O-N 3.34Å; Q68-A71 PolarHBondContact O-N 2.85Å; Q68-Q72 WeakPolarHBondContact O-CB 3.38Å; Q68-Q72 VanDerWaalsContact O-CG 3.24Å; Q68-Q72 WeakPolarHBondContact O-CG 3.38Å; Q68-Q72 PolarHBondContact O-N 3.2Å; Q68-I119 HydrophobicContact CG-CD1 4.27Å
69	D	94.1	Very high	92.2	Very high	5 Å²	5	38 Å²	38	3%	0.027	22%	0.217	C	C	.	.	H	α-helix	trans	-58.5	-46.1	173.8	-86.7	23.3	0	0	0	112.3	C7 L9 A65 V66 Q72 L73 V128 R131 L132	C7-D69 PolarHBondContact SG-OD2 3.09Å; L9-D69 WeakPolarHBondContact CD1-OD2 3.41Å; A65-D69 PolarHBondContact O-N 3.42Å; V66-D69 WeakPolarHBondContact O-CB 3.41Å; V66-D69 PolarHBondContact O-N 3.29Å; D69-Q72 PolarHBondContact O-N 3.48Å; D69-L73 WeakPolarHBondContact O-CB 3.34Å; D69-L73 PolarHBondContact O-N 3.37Å; D69-V128 HydrophobicContact CB-CG1 4.25Å; D69-V128 WeakPolarHBondContact OD1-CG1 3.38Å; D69-R131 IonicContact OD1-CZ 2.66Å; D69-R131 IonicContact OD1-NH2 3.64Å; D69-R131 PolarHBondContact OD1-NH2 2.88Å; D69-R131 IonicContact OD2-CZ 3.84Å; D69-R131 IonicContact OD2-NE 2.64Å; D69-R131 IonicContact OD2-NH2 3.51Å; D69-R131 PolarHBondContact OD2-NH2 3.01Å; D69-L132 HydrophobicContact CB-CD1 4.16Å
70	C	94.8	Very high	92.3	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-62.5	-45.5	176.1	-61.8	0	0	0	0	110.9	F39 V49 V66 I67 Q68 Q72 L73 V74	F39-C70 HydrophobicContact CD1-CB 3.94Å; F39-C70 HydrophobicContact CD2-CB 4.01Å; F39-C70 HydrophobicContact CE1-CB 3.86Å; F39-C70 HydrophobicContact CE2-CB 3.91Å; F39-C70 HydrophobicContact CG-CB 4.05Å; F39-C70 HydrophobicContact CZ-CB 3.84Å; V49-C70 HydrophobicContact CG1-CB 4.5Å; V66-C70 PolarHBondContact O-N 3.48Å; V66-C70 PolarHBondContact O-SG 3.45Å; I67-C70 PolarHBondContact O-N 2.89Å; Q68-C70 PolarHBondContact O-N 3.34Å; C70-Q72 PolarHBondContact O-N 3.49Å; C70-L73 WeakPolarHBondContact O-CB 3.34Å; C70-L73 PolarHBondContact O-N 3.17Å; C70-L73 VanDerWaalsContact O-N 3.16Å; C70-V74 VanDerWaalsContact O-CG2 3.27Å; C70-V74 WeakPolarHBondContact O-CG2 3.47Å; C70-V74 PolarHBondContact O-N 2.9Å
71	A	94.9	Very high	92.3	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-63.7	-38.9	180	0	0	0	0	0	112.6	I67 Q68 K75 V89 I119 V121	I67-A71 WeakPolarHBondContact O-CB 3.39Å; I67-A71 PolarHBondContact O-N 2.84Å; Q68-A71 PolarHBondContact O-N 2.85Å; A71-K75 WeakPolarHBondContact O-CB 3.44Å; A71-K75 PolarHBondContact O-N 2.94Å; A71-V89 HydrophobicContact CB-CB 4.17Å; A71-V89 HydrophobicContact CB-CG1 4.16Å; A71-V89 HydrophobicContact CB-CG2 4.13Å; A71-I119 HydrophobicContact CB-CG2 3.9Å; A71-V121 HydrophobicContact CB-CG2 3.57Å
72	Q	94.1	Very high	92.2	Very high	14 Å²	14	33.6 Å²	33.6	7%	0.065	19%	0.192	C	C	.	.	H	α-helix	trans	-65.1	-38.6	173.5	-70.9	-73.5	-2.9	0	0	111.8	Q68 D69 C70 K75 E76 V121 K123 N125 V128	Q68-Q72 WeakPolarHBondContact O-CB 3.38Å; Q68-Q72 VanDerWaalsContact O-CG 3.24Å; Q68-Q72 WeakPolarHBondContact O-CG 3.38Å; Q68-Q72 PolarHBondContact O-N 3.2Å; D69-Q72 PolarHBondContact O-N 3.48Å; C70-Q72 PolarHBondContact O-N 3.49Å; Q72-K75 PolarHBondContact O-N 3.47Å; Q72-E76 PolarHBondContact O-N 2.95Å; Q72-V121 HydrophobicContact CG-CG1 4.42Å; Q72-V121 VanDerWaalsContact NE2-CG1 3.34Å; Q72-K123 PolarHBondContact NE2-O 3.49Å; Q72-K123 PolarHBondContact OE1-O 3.44Å; Q72-N125 HydrophobicContact CG-CB 4.38Å; Q72-V128 HydrophobicContact CB-CG1 3.99Å; Q72-V128 HydrophobicContact CG-CG1 4.27Å
73	L	94.2	Very high	92.2	Very high	2 Å²	2	41.9 Å²	41.9	1%	0.01	23%	0.228	C	C	.	.	H	α-helix	trans	-65.1	-44.7	177.4	-173.3	65.8	0	0	0	111.9	F5 I16 M18 V49 D69 C70 E76 N77 L132	F5-L73 HydrophobicContact CD2-CD2 3.86Å; F5-L73 HydrophobicContact CE1-CD1 4.13Å; F5-L73 HydrophobicContact CE2-CD1 4.47Å; F5-L73 HydrophobicContact CE2-CD2 3.82Å; F5-L73 HydrophobicContact CG-CD2 4.29Å; F5-L73 HydrophobicContact CZ-CD1 4.01Å; F5-L73 HydrophobicContact CZ-CD2 4.19Å; I16-L73 HydrophobicContact CG2-CD2 3.92Å; M18-L73 HydrophobicContact SD-CD2 4.43Å; M18-L73 HydrophobicContact SD-CG 4.26Å; V49-L73 HydrophobicContact CG1-CD2 4.15Å; V49-L73 HydrophobicContact CG2-CD2 4.16Å; V49-L73 HydrophobicContact CG2-CG 4.31Å; D69-L73 WeakPolarHBondContact O-CB 3.34Å; D69-L73 PolarHBondContact O-N 3.37Å; C70-L73 WeakPolarHBondContact O-CB 3.34Å; C70-L73 PolarHBondContact O-N 3.17Å; C70-L73 VanDerWaalsContact O-N 3.16Å; L73-E76 PolarHBondContact O-N 3.42Å; L73-N77 PolarHBondContact O-N 3.06Å; L73-N77 VanDerWaalsContact O-N 3.1Å; L73-N77 PolarHBondContact O-ND2 2.97Å; L73-L132 HydrophobicContact CB-CD1 4.16Å; L73-L132 HydrophobicContact CD1-CD1 4.47Å
74	V	93.8	Very high	92.1	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-63.2	-43.6	176.1	-177.4	0	0	0	0	110.4	F39 V41 V49 C70 E76 N77 S78	F39-V74 HydrophobicContact CB-CG2 3.6Å; V41-V74 HydrophobicContact CG2-CG1 3.74Å; V49-V74 HydrophobicContact CB-CG2 3.55Å; V49-V74 HydrophobicContact CG1-CG2 4.42Å; V49-V74 HydrophobicContact CG2-CB 4.37Å; V49-V74 HydrophobicContact CG2-CG2 3.4Å; V49-V74 VanDerWaalsContact CG2-CG2 3.4Å; C70-V74 VanDerWaalsContact O-CG2 3.27Å; C70-V74 WeakPolarHBondContact O-CG2 3.47Å; C70-V74 PolarHBondContact O-N 2.9Å; V74-E76 PolarHBondContact O-N 3.24Å; V74-N77 CarbonylContact O-C 3.34Å; V74-N77 PolarHBondContact O-N 3.15Å; V74-S78 PolarHBondContact O-N 2.75Å
75	K	93.2	Very high	92	Very high	1 Å²	1	45.3 Å²	45.3	0%	0.004	23%	0.233	C	C	.	.	H	α-helix	trans	-60.4	-44.7	178.2	-178.2	175.1	-178.6	166.8	0	112	A71 Q72 N77 S78 G81 C82 L84 V87 V121 E122	A71-K75 WeakPolarHBondContact O-CB 3.44Å; A71-K75 PolarHBondContact O-N 2.94Å; Q72-K75 PolarHBondContact O-N 3.47Å; K75-N77 VanDerWaalsContact C-N 3.31Å; K75-N77 PolarHBondContact O-N 2.88Å; K75-S78 PolarHBondContact O-N 3.18Å; K75-G81 WeakPolarHBondContact CE-O 3.19Å; K75-C82 VanDerWaalsContact O-CA 3.23Å; K75-C82 WeakPolarHBondContact O-CA 3.11Å; K75-C82 WeakPolarHBondContact O-CB 3.04Å; K75-C82 PolarHBondContact O-N 3.41Å; K75-L84 WeakPolarHBondContact CE-O 3.43Å; K75-L84 PolarHBondContact NZ-O 2.91Å; K75-V87 HydrophobicContact CD-CB 4.24Å; K75-V87 HydrophobicContact CD-CG2 4.36Å; K75-V121 HydrophobicContact CD-CB 4.04Å; K75-V121 HydrophobicContact CD-CG1 3.59Å; K75-V121 PolarHBondContact NZ-O 2.94Å; K75-E122 PolarHBondContact NZ-O 3.47Å
76	E	93.3	Very high	92	Very high	60 Å²	60	47.8 Å²	47.8	28%	0.28	24%	0.239	S	C	.	.	H	α-helix	trans	-64.1	-37.2	177.6	-177.8	68.2	166.3	0	0	111.9	Q72 L73 V74 S78 R124 I129	Q72-E76 PolarHBondContact O-N 2.95Å; L73-E76 PolarHBondContact O-N 3.42Å; V74-E76 PolarHBondContact O-N 3.24Å; E76-S78 VanDerWaalsContact C-N 3.26Å; E76-S78 PolarHBondContact O-N 2.71Å; E76-R124 IonicContact OE1-NH1 3.81Å; E76-R124 PolarHBondContact OE1-NH1 2.84Å; E76-R124 WeakPolarHBondContact OE2-CD 3.49Å; E76-R124 IonicContact OE2-CZ 3.98Å; E76-R124 IonicContact OE2-NE 3.5Å; E76-R124 IonicContact OE2-NH1 2.72Å; E76-R124 PolarHBondContact OE2-NH1 3.19Å; E76-I129 HydrophobicContact CB-CD1 3.71Å; E76-I129 HydrophobicContact CB-CG1 4.22Å; E76-I129 HydrophobicContact CG-CD1 3.84Å; E76-I129 HydrophobicContact CG-CG1 4.38Å; E76-I129 HydrophobicContact CG-CG2 4.15Å
77	N	92.2	Very high	92	Very high	66 Å²	66	48.1 Å²	48.1	35%	0.353	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	27.8	178.2	-63.4	-80.3	0	0	0	112.9	M18 A47 L73 V74 K75	M18-N77 HydrophobicContact SD-CB 4.02Å; M18-N77 PolarHBondContact SD-ND2 2.89Å; A47-N77 HydrophobicContact CB-CB 3.73Å; A47-N77 PolarHBondContact N-O 2.87Å; A47-N77 VanDerWaalsContact N-O 3.1Å; L73-N77 PolarHBondContact O-N 3.06Å; L73-N77 VanDerWaalsContact O-N 3.1Å; L73-N77 PolarHBondContact O-ND2 2.97Å; V74-N77 CarbonylContact O-C 3.34Å; V74-N77 PolarHBondContact O-N 3.15Å; K75-N77 VanDerWaalsContact C-N 3.31Å; K75-N77 PolarHBondContact O-N 2.88Å
78	S	91.1	Very high	92	Very high	3 Å²	3	49.5 Å²	49.5	2%	0.021	25%	0.25	C	C	.	.	B	Isolated β-bridge	trans	-106.3	132.9	168.7	180	0	0	0	0	110.6	S45 V74 K75 E76 Q80 G81 C82	S45-S78 PolarHBondContact O-OG 3.49Å; V74-S78 PolarHBondContact O-N 2.75Å; K75-S78 PolarHBondContact O-N 3.18Å; E76-S78 VanDerWaalsContact C-N 3.26Å; E76-S78 PolarHBondContact O-N 2.71Å; S78-Q80 VanDerWaalsContact C-N 3.3Å; S78-Q80 PolarHBondContact O-N 2.75Å; S78-G81 WeakPolarHBondContact OG-CA 3.34Å; S78-G81 PolarHBondContact OG-N 2.9Å; S78-C82 WeakPolarHBondContact O-CB 3.47Å; S78-C82 PolarHBondContact O-N 3.09Å; S78-C82 PolarHBondContact O-SG 2.75Å
79	I	88	Confident	92.1	Very high	136 Å²	136	46.2 Å²	46.2	70%	0.697	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-44.6	-178.1	-59.5	172.6	0	0	0	110.9	S45	S45-I79 PolarHBondContact O-N 2.91Å
80	Q	90	Very high	92.1	Very high	120 Å²	120	46.2 Å²	46.2	56%	0.561	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102.2	-37.9	-179.4	-68	178.8	-30.6	0	0	111.9	L44 S78 C82 K83	L44-Q80 HydrophobicContact CD1-CB 4.49Å; L44-Q80 HydrophobicContact CD2-CB 4.34Å; S78-Q80 VanDerWaalsContact C-N 3.3Å; S78-Q80 PolarHBondContact O-N 2.75Å; Q80-C82 PolarHBondContact O-N 3.44Å; Q80-K83 PolarHBondContact O-N 3.42Å
81	G	86.6	Confident	92.2	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-63.5	-25.7	-175.5	0	0	0	0	0	114.3	K75 S78 K83 L84	K75-G81 WeakPolarHBondContact CE-O 3.19Å; S78-G81 WeakPolarHBondContact OG-CA 3.34Å; S78-G81 PolarHBondContact OG-N 2.9Å; G81-K83 PolarHBondContact O-N 2.99Å; G81-L84 PolarHBondContact O-N 3.11Å
82	C	88.2	Confident	92.1	Very high	34 Å²	34	47.4 Å²	47.4	23%	0.23	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-63	-26.1	-179.6	63.2	0	0	0	0	113.9	K75 S78 Q80	K75-C82 VanDerWaalsContact O-CA 3.23Å; K75-C82 WeakPolarHBondContact O-CA 3.11Å; K75-C82 WeakPolarHBondContact O-CB 3.04Å; K75-C82 PolarHBondContact O-N 3.41Å; S78-C82 WeakPolarHBondContact O-CB 3.47Å; S78-C82 PolarHBondContact O-N 3.09Å; S78-C82 PolarHBondContact O-SG 2.75Å; Q80-C82 PolarHBondContact O-N 3.44Å
83	K	89	Confident	92.1	Very high	183 Å²	183	49.9 Å²	49.9	80%	0.796	25%	0.251	S	S	*	.	G	3₁₀ helix	trans	-99.7	-14	-178.3	-63.7	178.6	-174	175.3	0	113.6	Q80 G81	Q80-K83 PolarHBondContact O-N 3.42Å; G81-K83 PolarHBondContact O-N 2.99Å
84	L	90.6	Very high	92	Very high	88 Å²	88	52 Å²	52	46%	0.461	26%	0.259	S	S	.	.			trans	-87.1	145.4	-176.7	-65.3	173.6	0	0	0	110.8	L44 K75 G81 V87	L44-L84 HydrophobicContact CD1-CD1 3.79Å; K75-L84 WeakPolarHBondContact CE-O 3.43Å; K75-L84 PolarHBondContact NZ-O 2.91Å; G81-L84 PolarHBondContact O-N 3.11Å; L84-V87 HydrophobicContact CB-CG2 3.65Å; L84-V87 WeakPolarHBondContact O-CG2 3.32Å
85	N	90.5	Very high	92	Very high	104 Å²	104	57.9 Å²	57.9	56%	0.556	29%	0.286	S	S	*	.	S	Bend	trans	-87.8	159.1	165.9	-62.3	-34.8	0	0	0	109.4	V87 E122	N85-V87 VanDerWaalsContact C-N 3.33Å; N85-V87 PolarHBondContact O-N 3.19Å; N85-E122 CarbonylContact C-O 3.48Å; N85-E122 WeakPolarHBondContact CA-O 3.35Å; N85-E122 WeakPolarHBondContact CB-O 3.38Å
86	D	91.3	Very high	92	Very high	103 Å²	103	58.5 Å²	58.5	55%	0.551	29%	0.289	S	S	*	.	S	Bend	trans	56.5	43.8	174.6	-51.9	-42.2	0	0	0	113.6	T88 V120 V121 E122	D86-T88 PolarHBondContact O-N 3.43Å; D86-V120 HydrophobicContact CB-CG1 4.17Å; D86-V121 PolarHBondContact N-O 2.87Å; D86-E122 PolarHBondContact N-O 3.38Å; D86-E122 VanDerWaalsContact OD1-CA 3.32Å; D86-E122 WeakPolarHBondContact OD1-CA 3.33Å
87	V	93.1	Very high	91.9	Very high	8 Å²	8	56.4 Å²	56.4	5%	0.048	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	124.5	-179.7	178.3	0	0	0	0	109.2	V41 K75 L84 N85 V121	V41-V87 HydrophobicContact CB-CG1 4.35Å; V41-V87 HydrophobicContact CG1-CG1 3.34Å; V41-V87 HydrophobicContact CG2-CG1 4.05Å; K75-V87 HydrophobicContact CD-CB 4.24Å; K75-V87 HydrophobicContact CD-CG2 4.36Å; L84-V87 HydrophobicContact CB-CG2 3.65Å; L84-V87 WeakPolarHBondContact O-CG2 3.32Å; N85-V87 VanDerWaalsContact C-N 3.33Å; N85-V87 PolarHBondContact O-N 3.19Å; V87-V121 PolarHBondContact N-O 2.86Å; V87-V121 VanDerWaalsContact N-O 3.11Å; V87-V121 PolarHBondContact O-N 2.93Å
88	T	95.4	Very high	91.9	Very high	43 Å²	43	57.5 Å²	57.5	26%	0.264	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	123.4	175	-59.7	0	0	0	0	109.6	D42 D86 K118	D42-T88 HydrophobicContact CB-CG2 4Å; D42-T88 WeakPolarHBondContact CB-O 3.47Å; D42-T88 PolarHBondContact N-O 3.24Å; D86-T88 PolarHBondContact O-N 3.43Å; T88-K118 HydrophobicContact CG2-CB 4.04Å; T88-K118 HydrophobicContact CG2-CD 4Å; T88-K118 HydrophobicContact CG2-CG 4.43Å
89	V	95.2	Very high	91.8	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	128	172.2	177.8	0	0	0	0	107.9	F39 H40 V41 A71 K118 I119 V121	F39-V89 HydrophobicContact CB-CG1 4.36Å; F39-V89 HydrophobicContact CD1-CG1 4.31Å; H40-V89 CarbonylContact O-C 3.53Å; H40-V89 WeakPolarHBondContact O-CA 3.41Å; H40-V89 WeakPolarHBondContact O-CG1 3.39Å; V41-V89 HydrophobicContact CG2-CG2 4.45Å; A71-V89 HydrophobicContact CB-CB 4.17Å; A71-V89 HydrophobicContact CB-CG1 4.16Å; A71-V89 HydrophobicContact CB-CG2 4.13Å; V89-K118 WeakPolarHBondContact O-CA 3.33Å; V89-I119 HydrophobicContact CB-CG2 3.88Å; V89-I119 HydrophobicContact CG1-CG2 4.43Å; V89-I119 PolarHBondContact N-O 3.12Å; V89-I119 PolarHBondContact O-N 2.93Å; V89-V121 HydrophobicContact CG2-CG2 4.02Å
90	V	95.3	Very high	92	Very high	6 Å²	6	56.4 Å²	56.4	4%	0.036	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	142.7	172.7	-61.7	0	0	0	0	109.7	W38 F39 H40 D42 F110 V116 Q117 K118	W38-V90 HydrophobicContact CH2-CG2 4.45Å; W38-V90 HydrophobicContact CZ3-CG2 3.9Å; F39-V90 WeakPolarHBondContact CA-O 3.44Å; H40-V90 HydrophobicContact CB-CG2 4.19Å; H40-V90 PolarHBondContact N-O 3Å; H40-V90 VanDerWaalsContact O-CG2 3.27Å; H40-V90 WeakPolarHBondContact O-CG2 3.35Å; H40-V90 PolarHBondContact O-N 3.33Å; D42-V90 HydrophobicContact CB-CG1 3.88Å; V90-F110 HydrophobicContact CG2-CZ 4.46Å; V90-V116 HydrophobicContact CB-CG1 3.77Å; V90-V116 HydrophobicContact CG1-CG1 4.13Å; V90-Q117 WeakPolarHBondContact CA-O 3.18Å; V90-K118 HydrophobicContact CG1-CD 4.41Å; V90-K118 HydrophobicContact CG1-CG 4.19Å
91	Y	95.3	Very high	91.8	Very high	21 Å²	21	58.8 Å²	58.8	8%	0.082	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	143.3	172.8	63.3	-79.2	0	0	0	112.2	V37 W38 F39 L59 I67 Q117 I119	V37-Y91 HydrophobicContact CG1-CD2 4.11Å; W38-Y91 CarbonylContact O-C 3.56Å; W38-Y91 WeakPolarHBondContact O-CA 3.49Å; W38-Y91 WeakPolarHBondContact O-CB 3.22Å; F39-Y91 HydrophobicContact CD1-CD1 4.41Å; F39-Y91 AromaticContact CD1-CG 4Å; F39-Y91 HydrophobicContact CD1-CG 4Å; F39-Y91 VanDerWaalsContact CE1-CB 3.45Å; F39-Y91 HydrophobicContact CE1-CD1 4.19Å; F39-Y91 HydrophobicContact CE1-CD2 4.09Å; F39-Y91 AromaticContact CE1-CG 3.67Å; F39-Y91 HydrophobicContact CE1-CG 3.67Å; F39-Y91 HydrophobicContact CZ-CD2 4.37Å; F39-Y91 HydrophobicContact CZ-CG 4.33Å; L59-Y91 HydrophobicContact CD1-CD2 4.04Å; L59-Y91 HydrophobicContact CD1-CE2 4.22Å; L59-Y91 HydrophobicContact CD2-CD2 4.43Å; L59-Y91 HydrophobicContact CD2-CE2 3.78Å; L59-Y91 HydrophobicContact CG-CD2 4.5Å; L59-Y91 HydrophobicContact CG-CE2 4.29Å; I67-Y91 HydrophobicContact CD1-CE2 4.44Å; I67-Y91 HydrophobicContact CG2-CE1 4.37Å; Y91-Q117 HydrophobicContact CD1-CB 4.16Å; Y91-Q117 HydrophobicContact CD2-CB 4.09Å; Y91-Q117 HydrophobicContact CE1-CB 3.64Å; Y91-Q117 HydrophobicContact CE2-CB 3.58Å; Y91-Q117 HydrophobicContact CE2-CG 4.22Å; Y91-Q117 HydrophobicContact CG-CB 4.35Å; Y91-Q117 VanDerWaalsContact CZ-OE1 3.27Å; Y91-Q117 PolarHBondContact N-O 3.2Å; Y91-Q117 PolarHBondContact O-N 2.98Å; Y91-Q117 PolarHBondContact OH-OE1 3.08Å; Y91-I119 HydrophobicContact CD1-CG2 4.18Å; Y91-I119 HydrophobicContact CE1-CB 3.99Å; Y91-I119 HydrophobicContact CE1-CG2 4.05Å
92	T	94.5	Very high	92	Very high	3 Å²	3	66.2 Å²	66.2	2%	0.018	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	159.3	-177.9	-162.1	0	0	0	0	110.1	W38 N96 L97 F110 A115	W38-T92 HydrophobicContact CE3-CG2 4.26Å; W38-T92 PolarHBondContact N-O 3.48Å; W38-T92 PolarHBondContact O-N 2.83Å; T92-N96 HydrophobicContact CG2-CB 4.23Å; T92-N96 WeakPolarHBondContact OG1-CB 3.39Å; T92-N96 PolarHBondContact OG1-ND2 2.97Å; T92-L97 HydrophobicContact CG2-CD2 3.68Å; T92-F110 HydrophobicContact CG2-CD1 3.96Å; T92-F110 HydrophobicContact CG2-CE1 3.92Å; T92-A115 PolarHBondContact OG1-O 2.94Å
93	K	93.8	Very high	92.1	Very high	67 Å²	67	66.6 Å²	66.6	29%	0.291	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	148.9	175.4	-66.6	-169.9	-179.3	-173.4	0	110.6	L59 E95 N96	L59-K93 HydrophobicContact CD1-CG 4.3Å; K93-E95 PolarHBondContact O-N 3.09Å; K93-N96 WeakPolarHBondContact O-CB 3.25Å; K93-N96 PolarHBondContact O-N 3.27Å
94	W	92.6	Very high	92	Very high	47 Å²	47	63.9 Å²	63.9	18%	0.178	32%	0.324	C	S	.	.	G	3₁₀ helix	trans	-53.6	-37.6	177.1	-178.7	93.8	0	0	0	112.3	I29 W33 D36 N96 L97	I29-W94 WeakPolarHBondContact O-CZ2 3.49Å; I29-W94 PolarHBondContact O-NE1 3.42Å; W33-W94 VanDerWaalsContact O-CB 3.25Å; W33-W94 WeakPolarHBondContact O-CB 3.3Å; D36-W94 HydrophobicContact CB-CB 4.37Å; D36-W94 WeakPolarHBondContact O-CB 3.21Å; D36-W94 PolarHBondContact O-N 2.9Å; W94-N96 PolarHBondContact O-N 3.28Å; W94-N96 VanDerWaalsContact O-N 3.11Å; W94-L97 WeakPolarHBondContact O-CB 3.01Å; W94-L97 WeakPolarHBondContact O-CG 3.21Å; W94-L97 PolarHBondContact O-N 2.94Å
95	E	91.8	Very high	91.8	Very high	122 Å²	122	61.5 Å²	61.5	57%	0.57	32%	0.317	S	S	*	.	G	3₁₀ helix	trans	-57.1	-25.2	176	-69.2	179.5	166.7	0	0	114.2	P34 K93	P34-E95 HydrophobicContact CB-CG 3.67Å; P34-E95 WeakPolarHBondContact CB-OE1 3.49Å; K93-E95 PolarHBondContact O-N 3.09Å
96	N	93.7	Very high	91.5	Very high	15 Å²	15	57.3 Å²	57.3	8%	0.08	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-87.8	-7.1	179.4	-168.9	38.6	0	0	0	112.9	T92 K93 W94 F110 H111 N112	T92-N96 HydrophobicContact CG2-CB 4.23Å; T92-N96 WeakPolarHBondContact OG1-CB 3.39Å; T92-N96 PolarHBondContact OG1-ND2 2.97Å; K93-N96 WeakPolarHBondContact O-CB 3.25Å; K93-N96 PolarHBondContact O-N 3.27Å; W94-N96 PolarHBondContact O-N 3.28Å; W94-N96 VanDerWaalsContact O-N 3.11Å; N96-F110 CarbonylContact O-C 3.55Å; N96-F110 WeakPolarHBondContact O-CA 3.48Å; N96-H111 PolarHBondContact O-N 2.8Å; N96-N112 PolarHBondContact ND2-O 2.9Å; N96-N112 PolarHBondContact OD1-N 2.88Å; N96-N112 PolarHBondContact OD1-O 2.64Å
97	L	92.6	Very high	91.4	Very high	16 Å²	16	57 Å²	57	8%	0.084	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	133.4	178.5	-56.5	179.6	0	0	0	110.6	W38 Y50 T92 W94 V108 F110 H111	W38-L97 HydrophobicContact CB-CD1 3.82Å; W38-L97 HydrophobicContact CB-CD2 4.24Å; W38-L97 HydrophobicContact CB-CG 4.45Å; W38-L97 HydrophobicContact CD2-CD1 4.32Å; W38-L97 HydrophobicContact CD2-CD2 3.81Å; W38-L97 HydrophobicContact CE3-CD2 3.8Å; W38-L97 HydrophobicContact CG-CD1 3.79Å; W38-L97 HydrophobicContact CG-CD2 4.07Å; W38-L97 HydrophobicContact CZ3-CD2 4.38Å; Y50-L97 HydrophobicContact CE1-CD1 4.37Å; T92-L97 HydrophobicContact CG2-CD2 3.68Å; W94-L97 WeakPolarHBondContact O-CB 3.01Å; W94-L97 WeakPolarHBondContact O-CG 3.21Å; W94-L97 PolarHBondContact O-N 2.94Å; L97-V108 HydrophobicContact CB-CG1 4.02Å; L97-V108 HydrophobicContact CD2-CG1 3.91Å; L97-V108 HydrophobicContact CG-CG1 4.42Å; L97-F110 HydrophobicContact CD2-CD1 4.05Å; L97-F110 HydrophobicContact CD2-CE1 3.88Å; L97-H111 PolarHBondContact O-CD2 3.47Å; L97-H111 PolarHBondContact O-NE2 3.39Å
98	K	92.2	Very high	91.2	Very high	88 Å²	88	58 Å²	58	38%	0.383	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	114.3	178.3	-179.2	-177.1	179.9	-175.7	0	109.7	T100 S109	K98-T100 HydrophobicContact CG-CG2 4.46Å; K98-S109 WeakPolarHBondContact CA-O 3.35Å; K98-S109 WeakPolarHBondContact CB-OG 3.33Å; K98-S109 WeakPolarHBondContact CG-OG 3.31Å; K98-S109 PolarHBondContact N-O 2.87Å; K98-S109 PolarHBondContact O-N 3.49Å; K98-S109 PolarHBondContact O-OG 3.24Å
99	K	89	Confident	91.1	Very high	72 Å²	72	57.3 Å²	57.3	31%	0.313	30%	0.297	S	S	.	.			trans	-108.2	121.1	170.9	-174.6	74.9	-179.6	-157.6	0	109	D26 M103 D104 Q107	D26-K99 IonicContact OD1-NZ 3.88Å; D26-K99 PolarHBondContact OD1-NZ 2.86Å; D26-K99 IonicContact OD2-NZ 2.8Å; D26-K99 PolarHBondContact OD2-NZ 3.33Å; K99-M103 HydrophobicContact CD-CB 4.37Å; K99-D104 PolarHBondContact NZ-O 3.02Å; K99-Q107 WeakPolarHBondContact CD-O 3.13Å; K99-Q107 WeakPolarHBondContact CE-O 3.46Å; K99-Q107 PolarHBondContact NZ-O 3.14Å
100	T	90.4	Very high	91	Very high	44 Å²	44	59.8 Å²	59.8	27%	0.27	31%	0.308	S	S	.	.			trans	-101.7	154.8	170.5	56	0	0	0	0	110	K98 D102 M103	K98-T100 HydrophobicContact CG-CG2 4.46Å; T100-D102 PolarHBondContact O-N 3.28Å; T100-M103 HydrophobicContact CG2-CE 4.38Å; T100-M103 WeakPolarHBondContact O-CB 3.49Å; T100-M103 PolarHBondContact O-N 3.48Å; T100-M103 VanDerWaalsContact O-N 3.09Å; T100-M103 VanDerWaalsContact OG1-CE 3.3Å; T100-M103 WeakPolarHBondContact OG1-CE 3.42Å; T100-M103 VanDerWaalsContact OG1-CG 3.29Å; T100-M103 WeakPolarHBondContact OG1-CG 3.21Å; T100-M103 PolarHBondContact OG1-SD 2.72Å; T100-M103 VanDerWaalsContact OG1-SD 3.37Å
101	N	87.5	Confident	90.9	Very high	171 Å²	171	65.3 Å²	65.3	91%	0.914	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-23.3	180	-67.6	-20.6	0	0	0	112.9	M103	N101-M103 VanDerWaalsContact C-N 3.26Å; N101-M103 PolarHBondContact O-N 3.09Å
102	D	90.7	Very high	90.8	Very high	156 Å²	156	68.1 Å²	68.1	83%	0.834	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-4.9	177.9	-49.5	-50.4	0	0	0	113.5	T100	T100-D102 PolarHBondContact O-N 3.28Å
103	M	89.2	Confident	90.7	Very high	41 Å²	41	73.9 Å²	73.9	20%	0.202	38%	0.38	C	S	.	.	S	Bend	trans	-91.4	136.4	-179.1	-75	170.7	-174.6	0	0	111.3	K99 T100 N101 Q107 S109	K99-M103 HydrophobicContact CD-CB 4.37Å; T100-M103 HydrophobicContact CG2-CE 4.38Å; T100-M103 WeakPolarHBondContact O-CB 3.49Å; T100-M103 PolarHBondContact O-N 3.48Å; T100-M103 VanDerWaalsContact O-N 3.09Å; T100-M103 VanDerWaalsContact OG1-CE 3.3Å; T100-M103 WeakPolarHBondContact OG1-CE 3.42Å; T100-M103 VanDerWaalsContact OG1-CG 3.29Å; T100-M103 WeakPolarHBondContact OG1-CG 3.21Å; T100-M103 PolarHBondContact OG1-SD 2.72Å; T100-M103 VanDerWaalsContact OG1-SD 3.37Å; N101-M103 VanDerWaalsContact C-N 3.26Å; N101-M103 PolarHBondContact O-N 3.09Å; M103-Q107 HydrophobicContact CB-CB 4.14Å; M103-Q107 HydrophobicContact CB-CG 4.22Å; M103-Q107 HydrophobicContact CG-CG 4.21Å; M103-S109 WeakPolarHBondContact CE-OG 3.48Å
104	D	88.3	Confident	90.7	Very high	126 Å²	126	80 Å²	80	67%	0.674	41%	0.407	S	S	*	.	P	Polyproline II helix	trans	-60.7	159.1	177.5	-74.1	-38.9	0	0	0	112.2	K99 G106 Q107	K99-D104 PolarHBondContact NZ-O 3.02Å; D104-G106 PolarHBondContact O-N 2.85Å; D104-Q107 HydrophobicContact CB-CB 4.46Å; D104-Q107 VanDerWaalsContact O-CB 3.3Å; D104-Q107 WeakPolarHBondContact O-CB 3.41Å; D104-Q107 PolarHBondContact O-N 3.43Å
105	A	86.5	Confident	90.6	Very high	38 Å²	38	80 Å²	80	31%	0.314	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	128.3	177.8	0	0	0	0	0	111.4	K22 D26 Q107	K22-A105 HydrophobicContact CB-CB 4.37Å; K22-A105 HydrophobicContact CD-CB 4.02Å; K22-A105 HydrophobicContact CG-CB 4.01Å; D26-A105 VanDerWaalsContact OD2-CA 3.22Å; D26-A105 WeakPolarHBondContact OD2-CA 3.43Å; A105-Q107 VanDerWaalsContact C-N 3.29Å; A105-Q107 PolarHBondContact O-N 2.71Å
106	G	84.2	Confident	90.7	Very high	16 Å²	16	75.2 Å²	75.2	17%	0.165	40%	0.396	C	S	.	.	T	Hydrogen-bonded Turn	trans	83	-15.7	-173.2	0	0	0	0	0	115.6	D26 H48 D104	D26-G106 PolarHBondContact OD1-N 2.92Å; D26-G106 PolarHBondContact OD2-N 3.48Å; H48-G106 PolarHBondContact CE1-O 2.9Å; H48-G106 PolarHBondContact NE2-O 2.87Å; D104-G106 PolarHBondContact O-N 2.85Å
107	Q	87.8	Confident	90.8	Very high	97 Å²	97	77.9 Å²	77.9	45%	0.453	41%	0.408	S	S	.	.			trans	-74.1	132.3	174.3	-175.2	-178.7	11	0	0	110.6	K99 M103 D104 A105	K99-Q107 WeakPolarHBondContact CD-O 3.13Å; K99-Q107 WeakPolarHBondContact CE-O 3.46Å; K99-Q107 PolarHBondContact NZ-O 3.14Å; M103-Q107 HydrophobicContact CB-CB 4.14Å; M103-Q107 HydrophobicContact CB-CG 4.22Å; M103-Q107 HydrophobicContact CG-CG 4.21Å; D104-Q107 HydrophobicContact CB-CB 4.46Å; D104-Q107 VanDerWaalsContact O-CB 3.3Å; D104-Q107 WeakPolarHBondContact O-CB 3.41Å; D104-Q107 PolarHBondContact O-N 3.43Å; A105-Q107 VanDerWaalsContact C-N 3.29Å; A105-Q107 PolarHBondContact O-N 2.71Å
108	V	90.1	Very high	90.9	Very high	28 Å²	28	83.1 Å²	83.1	17%	0.17	43%	0.43	C	S	.	.			trans	-134.5	142.7	-179.7	-176.8	0	0	0	0	109.7	I29 L97	I29-V108 HydrophobicContact CD1-CG2 3.33Å; I29-V108 HydrophobicContact CG1-CG2 4.45Å; L97-V108 HydrophobicContact CB-CG1 4.02Å; L97-V108 HydrophobicContact CD2-CG1 3.91Å; L97-V108 HydrophobicContact CG-CG1 4.42Å
109	S	91.9	Very high	91	Very high	30 Å²	30	80.2 Å²	80.2	21%	0.21	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	172.6	169.4	69	0	0	0	0	110.5	K98 M103	K98-S109 WeakPolarHBondContact CA-O 3.35Å; K98-S109 WeakPolarHBondContact CB-OG 3.33Å; K98-S109 WeakPolarHBondContact CG-OG 3.31Å; K98-S109 PolarHBondContact N-O 2.87Å; K98-S109 PolarHBondContact O-N 3.49Å; K98-S109 PolarHBondContact O-OG 3.24Å; M103-S109 WeakPolarHBondContact CE-OG 3.48Å
110	F	93.8	Very high	91.2	Very high	51 Å²	51	80.7 Å²	80.7	22%	0.224	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	144.3	178.2	-51.6	-62.9	0	0	0	111	W38 V90 T92 N96 L97 V116	W38-F110 HydrophobicContact CE3-CE1 4.13Å; W38-F110 HydrophobicContact CH2-CE1 4.14Å; W38-F110 HydrophobicContact CH2-CZ 4.05Å; W38-F110 AromaticContact CZ3-CE1 3.55Å; W38-F110 HydrophobicContact CZ3-CE1 3.55Å; W38-F110 AromaticContact CZ3-CZ 3.62Å; W38-F110 HydrophobicContact CZ3-CZ 3.62Å; V90-F110 HydrophobicContact CG2-CZ 4.46Å; T92-F110 HydrophobicContact CG2-CD1 3.96Å; T92-F110 HydrophobicContact CG2-CE1 3.92Å; N96-F110 CarbonylContact O-C 3.55Å; N96-F110 WeakPolarHBondContact O-CA 3.48Å; L97-F110 HydrophobicContact CD2-CD1 4.05Å; L97-F110 HydrophobicContact CD2-CE1 3.88Å; F110-V116 HydrophobicContact CB-CG2 4.18Å; F110-V116 HydrophobicContact CD1-CG2 3.96Å; F110-V116 HydrophobicContact CD2-CG2 3.78Å; F110-V116 HydrophobicContact CE1-CG2 4.32Å; F110-V116 HydrophobicContact CE2-CG2 4.15Å; F110-V116 HydrophobicContact CG-CG2 3.68Å; F110-V116 HydrophobicContact CZ-CG2 4.4Å
111	H	93.1	Very high	91.3	Very high	123 Å²	123	78.7 Å²	78.7	57%	0.569	42%	0.415	S	S	*	.	S	Bend	trans	-68	-44.9	170.4	-76.5	-71.7	0	0	0	111	N96 L97	N96-H111 PolarHBondContact O-N 2.8Å; L97-H111 PolarHBondContact O-CD2 3.47Å; L97-H111 PolarHBondContact O-NE2 3.39Å
112	N	93.6	Very high	91.5	Very high	80 Å²	80	76.9 Å²	76.9	43%	0.428	40%	0.401	S	S	.	.			trans	-133.4	110.6	178.3	-174.9	-0.6	0	0	0	110.6	N96 K114 A115	N96-N112 PolarHBondContact ND2-O 2.9Å; N96-N112 PolarHBondContact OD1-N 2.88Å; N96-N112 PolarHBondContact OD1-O 2.64Å; N112-K114 PolarHBondContact O-N 3.34Å; N112-K114 WeakPolarHBondContact OD1-CB 3.36Å; N112-K114 PolarHBondContact OD1-N 2.79Å; N112-A115 HydrophobicContact CB-CB 4.34Å; N112-A115 PolarHBondContact O-N 3.16Å; N112-A115 VanDerWaalsContact O-N 3.12Å
113	N	92.7	Very high	91.5	Very high	123 Å²	123	76.2 Å²	76.2	66%	0.658	39%	0.391	S	S	*	.	G	3₁₀ helix	trans	-62.5	-23.7	177.5	-68.4	-28.8	0	0	0	113.1	A115 V116	N113-A115 VanDerWaalsContact C-N 3.3Å; N113-A115 PolarHBondContact O-N 2.92Å; N113-V116 PolarHBondContact O-N 3.11Å
114	K	92.6	Very high	91.5	Very high	197 Å²	197	81 Å²	81	86%	0.857	41%	0.406	S	S	*	.	G	3₁₀ helix	trans	-74.2	-20.8	177.8	-60.5	-176.4	179.1	-178.8	0	113.2	N112 V116	N112-K114 PolarHBondContact O-N 3.34Å; N112-K114 WeakPolarHBondContact OD1-CB 3.36Å; N112-K114 PolarHBondContact OD1-N 2.79Å; K114-V116 VanDerWaalsContact C-N 3.25Å
115	A	91.8	Very high	91.6	Very high	47 Å²	47	78.2 Å²	78.2	39%	0.388	39%	0.391	S	S	.	.	G	3₁₀ helix	trans	-86.8	3.5	176.9	0	0	0	0	0	112.6	T92 N112 N113	T92-A115 PolarHBondContact OG1-O 2.94Å; N112-A115 HydrophobicContact CB-CB 4.34Å; N112-A115 PolarHBondContact O-N 3.16Å; N112-A115 VanDerWaalsContact O-N 3.12Å; N113-A115 VanDerWaalsContact C-N 3.3Å; N113-A115 PolarHBondContact O-N 2.92Å
116	V	93.6	Very high	91.8	Very high	21 Å²	21	77.9 Å²	77.9	13%	0.127	39%	0.392	C	S	.	.			trans	-91.2	119.5	175.2	-176.9	0	0	0	0	108.5	V90 F110 N113 K114	V90-V116 HydrophobicContact CB-CG1 3.77Å; V90-V116 HydrophobicContact CG1-CG1 4.13Å; F110-V116 HydrophobicContact CB-CG2 4.18Å; F110-V116 HydrophobicContact CD1-CG2 3.96Å; F110-V116 HydrophobicContact CD2-CG2 3.78Å; F110-V116 HydrophobicContact CE1-CG2 4.32Å; F110-V116 HydrophobicContact CE2-CG2 4.15Å; F110-V116 HydrophobicContact CG-CG2 3.68Å; F110-V116 HydrophobicContact CZ-CG2 4.4Å; N113-V116 PolarHBondContact O-N 3.11Å; K114-V116 VanDerWaalsContact C-N 3.25Å
117	Q	94.3	Very high	92.2	Very high	70 Å²	70	82.6 Å²	82.6	33%	0.327	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	154.5	173.2	-62.3	-168.5	15.5	0	0	109.9	L59 V90 Y91	L59-Q117 VanDerWaalsContact CD2-CD 3.41Å; V90-Q117 WeakPolarHBondContact CA-O 3.18Å; Y91-Q117 HydrophobicContact CD1-CB 4.16Å; Y91-Q117 HydrophobicContact CD2-CB 4.09Å; Y91-Q117 HydrophobicContact CE1-CB 3.64Å; Y91-Q117 HydrophobicContact CE2-CB 3.58Å; Y91-Q117 HydrophobicContact CE2-CG 4.22Å; Y91-Q117 HydrophobicContact CG-CB 4.35Å; Y91-Q117 VanDerWaalsContact CZ-OE1 3.27Å; Y91-Q117 PolarHBondContact N-O 3.2Å; Y91-Q117 PolarHBondContact O-N 2.98Å; Y91-Q117 PolarHBondContact OH-OE1 3.08Å
118	K	94.8	Very high	92.4	Very high	127 Å²	127	78.8 Å²	78.8	55%	0.552	40%	0.396	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.2	136.7	-177.5	-56.7	-161.1	175.1	-160.9	0	109.9	D42 T88 V89 V90	D42-K118 IonicContact OD2-NZ 3.24Å; D42-K118 PolarHBondContact OD2-NZ 3.44Å; T88-K118 HydrophobicContact CG2-CB 4.04Å; T88-K118 HydrophobicContact CG2-CD 4Å; T88-K118 HydrophobicContact CG2-CG 4.43Å; V89-K118 WeakPolarHBondContact O-CA 3.33Å; V90-K118 HydrophobicContact CG1-CD 4.41Å; V90-K118 HydrophobicContact CG1-CG 4.19Å
119	I	94.4	Very high	92.5	Very high	27 Å²	27	77.9 Å²	77.9	14%	0.138	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	132.9	174.2	-165.7	165.2	0	0	0	109.6	I67 Q68 A71 V89 Y91	I67-I119 HydrophobicContact CG2-CD1 3.71Å; Q68-I119 HydrophobicContact CG-CD1 4.27Å; A71-I119 HydrophobicContact CB-CG2 3.9Å; V89-I119 HydrophobicContact CB-CG2 3.88Å; V89-I119 HydrophobicContact CG1-CG2 4.43Å; V89-I119 PolarHBondContact N-O 3.12Å; V89-I119 PolarHBondContact O-N 2.93Å; Y91-I119 HydrophobicContact CD1-CG2 4.18Å; Y91-I119 HydrophobicContact CE1-CB 3.99Å; Y91-I119 HydrophobicContact CE1-CG2 4.05Å
120	V	94.5	Very high	92.6	Very high	81 Å²	81	82.9 Å²	82.9	49%	0.491	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	123	178.2	-178	0	0	0	0	108.7	D86	D86-V120 HydrophobicContact CB-CG1 4.17Å
121	V	92.7	Very high	92.6	Very high	2 Å²	2	84.7 Å²	84.7	1%	0.012	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	98.5	176.1	-176	0	0	0	0	108.7	A71 Q72 K75 D86 V87 V89	A71-V121 HydrophobicContact CB-CG2 3.57Å; Q72-V121 HydrophobicContact CG-CG1 4.42Å; Q72-V121 VanDerWaalsContact NE2-CG1 3.34Å; K75-V121 HydrophobicContact CD-CB 4.04Å; K75-V121 HydrophobicContact CD-CG1 3.59Å; K75-V121 PolarHBondContact NZ-O 2.94Å; D86-V121 PolarHBondContact N-O 2.87Å; V87-V121 PolarHBondContact N-O 2.86Å; V87-V121 VanDerWaalsContact N-O 3.11Å; V87-V121 PolarHBondContact O-N 2.93Å; V89-V121 HydrophobicContact CG2-CG2 4.02Å
122	E	90.3	Very high	92.6	Very high	134 Å²	134	78.8 Å²	78.8	63%	0.626	39%	0.387	S	S	*	.			trans	-56.1	-61	-175.7	-61.8	-178.4	176.6	0	0	111.8	K75 N85 D86	K75-E122 PolarHBondContact NZ-O 3.47Å; N85-E122 CarbonylContact C-O 3.48Å; N85-E122 WeakPolarHBondContact CA-O 3.35Å; N85-E122 WeakPolarHBondContact CB-O 3.38Å; D86-E122 PolarHBondContact N-O 3.38Å; D86-E122 VanDerWaalsContact OD1-CA 3.32Å; D86-E122 WeakPolarHBondContact OD1-CA 3.33Å
123	K	90.8	Very high	92.5	Very high	142 Å²	142	78.7 Å²	78.7	62%	0.617	39%	0.386	S	S	*	.	S	Bend	trans	-131.8	152.8	-176.7	-64.3	-176.5	-174.2	174.5	0	111.2	Q72 N125	Q72-K123 PolarHBondContact NE2-O 3.49Å; Q72-K123 PolarHBondContact OE1-O 3.44Å; K123-N125 PolarHBondContact O-N 2.68Å
124	R	89.6	Confident	92.5	Very high	140 Å²	140	81.6 Å²	81.6	53%	0.528	39%	0.393	S	S	.	.			trans	-64.2	122.3	172.6	179.8	179.5	67.2	170.8	2.2	109.7	E76 I129	E76-R124 IonicContact OE1-NH1 3.81Å; E76-R124 PolarHBondContact OE1-NH1 2.84Å; E76-R124 WeakPolarHBondContact OE2-CD 3.49Å; E76-R124 IonicContact OE2-CZ 3.98Å; E76-R124 IonicContact OE2-NE 3.5Å; E76-R124 IonicContact OE2-NH1 2.72Å; E76-R124 PolarHBondContact OE2-NH1 3.19Å; R124-I129 HydrophobicContact CG-CD1 3.48Å; R124-I129 VanDerWaalsContact CG-CD1 3.48Å
125	N	91.3	Very high	92.5	Very high	68 Å²	68	73.1 Å²	73.1	36%	0.364	36%	0.358	S	S	.	.			trans	-95	100.8	173.4	-169.5	-27.3	0	0	0	110.5	Q72 K123 D127 V128 I129	Q72-N125 HydrophobicContact CG-CB 4.38Å; K123-N125 PolarHBondContact O-N 2.68Å; N125-D127 VanDerWaalsContact C-N 3.26Å; N125-D127 PolarHBondContact O-N 3.19Å; N125-D127 PolarHBondContact OD1-N 3.32Å; N125-D127 VanDerWaalsContact OD1-N 3.08Å; N125-V128 HydrophobicContact CB-CB 4.19Å; N125-V128 HydrophobicContact CB-CG2 4Å; N125-V128 PolarHBondContact O-N 3.08Å; N125-V128 PolarHBondContact OD1-N 3.25Å; N125-I129 PolarHBondContact O-N 2.98Å
126	G	90.3	Very high	92.5	Very high	31 Å²	31	74.6 Å²	74.6	32%	0.32	36%	0.355	S	S	.	.	H	α-helix	trans	-63.8	-27.5	-178.6	0	0	0	0	0	114.1	K130	G126-K130 WeakPolarHBondContact O-CB 3.26Å; G126-K130 WeakPolarHBondContact O-CG 3.42Å; G126-K130 PolarHBondContact O-N 3.4Å
127	D	92.4	Very high	92.4	Very high	116 Å²	116	77.9 Å²	77.9	62%	0.62	37%	0.369	S	S	*	.	H	α-helix	trans	-74.9	-38.1	-178.9	-63.6	-31.7	0	0	0	111.5	N125 K130 R131	N125-D127 VanDerWaalsContact C-N 3.26Å; N125-D127 PolarHBondContact O-N 3.19Å; N125-D127 PolarHBondContact OD1-N 3.32Å; N125-D127 VanDerWaalsContact OD1-N 3.08Å; D127-K130 PolarHBondContact O-N 3.29Å; D127-R131 WeakPolarHBondContact O-CB 3.46Å; D127-R131 PolarHBondContact O-N 3.49Å
128	V	91.8	Very high	92.2	Very high	16 Å²	16	80.3 Å²	80.3	10%	0.097	38%	0.381	C	S	.	.	H	α-helix	trans	-61	-48.6	172.3	171.6	0	0	0	0	110.5	D69 Q72 N125 K130 R131 L132	D69-V128 HydrophobicContact CB-CG1 4.25Å; D69-V128 WeakPolarHBondContact OD1-CG1 3.38Å; Q72-V128 HydrophobicContact CB-CG1 3.99Å; Q72-V128 HydrophobicContact CG-CG1 4.27Å; N125-V128 HydrophobicContact CB-CB 4.19Å; N125-V128 HydrophobicContact CB-CG2 4Å; N125-V128 PolarHBondContact O-N 3.08Å; N125-V128 PolarHBondContact OD1-N 3.25Å; V128-K130 PolarHBondContact O-N 3.41Å; V128-R131 WeakPolarHBondContact O-CB 3.41Å; V128-R131 PolarHBondContact O-N 2.78Å; V128-L132 HydrophobicContact CG1-CD1 4.13Å; V128-L132 WeakPolarHBondContact O-CG 3.41Å; V128-L132 PolarHBondContact O-N 2.88Å
129	I	92.2	Very high	91.7	Very high	9 Å²	9	76 Å²	76	5%	0.046	37%	0.366	C	S	.	.	H	α-helix	trans	-62.9	-43.9	179.6	-66.4	160.8	0	0	0	110.9	E76 R124 N125 R131 L132 N133	E76-I129 HydrophobicContact CB-CD1 3.71Å; E76-I129 HydrophobicContact CB-CG1 4.22Å; E76-I129 HydrophobicContact CG-CD1 3.84Å; E76-I129 HydrophobicContact CG-CG1 4.38Å; E76-I129 HydrophobicContact CG-CG2 4.15Å; R124-I129 HydrophobicContact CG-CD1 3.48Å; R124-I129 VanDerWaalsContact CG-CD1 3.48Å; N125-I129 PolarHBondContact O-N 2.98Å; I129-R131 VanDerWaalsContact C-N 3.32Å; I129-R131 PolarHBondContact O-N 3.36Å; I129-L132 PolarHBondContact O-N 3.46Å; I129-N133 WeakPolarHBondContact CG2-ND2 3.27Å; I129-N133 VanDerWaalsContact O-CB 3.32Å; I129-N133 WeakPolarHBondContact O-CB 3.33Å; I129-N133 PolarHBondContact O-N 3.46Å; I129-N133 PolarHBondContact O-ND2 2.97Å
130	K	93.3	Very high	90.8	Very high	135 Å²	135	81.5 Å²	81.5	59%	0.587	39%	0.391	S	S	*	.	H	α-helix	trans	-60.9	-40.6	175.4	-76.4	171	-172.3	172	0	111.8	G126 D127 V128 K134	G126-K130 WeakPolarHBondContact O-CB 3.26Å; G126-K130 WeakPolarHBondContact O-CG 3.42Å; G126-K130 PolarHBondContact O-N 3.4Å; D127-K130 PolarHBondContact O-N 3.29Å; V128-K130 PolarHBondContact O-N 3.41Å; K130-K134 WeakPolarHBondContact O-CG 3.33Å; K130-K134 PolarHBondContact O-N 3.24Å
131	R	94	Very high	90	Very high	89 Å²	89	86 Å²	86	34%	0.336	41%	0.407	S	S	.	.	H	α-helix	trans	-61.9	-50.3	176.1	179.3	-180	63.8	-147.7	-6.1	111.1	D69 D127 V128 I129 N133 K134	D69-R131 IonicContact OD1-CZ 2.66Å; D69-R131 IonicContact OD1-NH2 3.64Å; D69-R131 PolarHBondContact OD1-NH2 2.88Å; D69-R131 IonicContact OD2-CZ 3.84Å; D69-R131 IonicContact OD2-NE 2.64Å; D69-R131 IonicContact OD2-NH2 3.51Å; D69-R131 PolarHBondContact OD2-NH2 3.01Å; D127-R131 WeakPolarHBondContact O-CB 3.46Å; D127-R131 PolarHBondContact O-N 3.49Å; V128-R131 WeakPolarHBondContact O-CB 3.41Å; V128-R131 PolarHBondContact O-N 2.78Å; I129-R131 VanDerWaalsContact C-N 3.32Å; I129-R131 PolarHBondContact O-N 3.36Å; R131-N133 VanDerWaalsContact C-N 3.35Å; R131-N133 PolarHBondContact O-N 3.44Å; R131-K134 WeakPolarHBondContact O-CB 3.27Å; R131-K134 PolarHBondContact O-N 2.89Å
132	L	92.6	Very high	89.3	Confident	0 Å²	0	87.3 Å²	87.3	0%	0	42%	0.415	C	S	.	.	H	α-helix	trans	-63.4	-41.3	179.6	-67.6	173.1	0	0	0	111.6	F5 I16 D69 L73 V128 I129 K134 T135 K136	F5-L132 HydrophobicContact CD1-CB 4.23Å; F5-L132 WeakPolarHBondContact CD1-O 3.48Å; I16-L132 HydrophobicContact CD1-CD2 4.27Å; D69-L132 HydrophobicContact CB-CD1 4.16Å; L73-L132 HydrophobicContact CB-CD1 4.16Å; L73-L132 HydrophobicContact CD1-CD1 4.47Å; V128-L132 HydrophobicContact CG1-CD1 4.13Å; V128-L132 WeakPolarHBondContact O-CG 3.41Å; V128-L132 PolarHBondContact O-N 2.88Å; I129-L132 PolarHBondContact O-N 3.46Å; L132-K134 PolarHBondContact O-N 2.78Å; L132-T135 PolarHBondContact O-N 2.8Å; L132-T135 PolarHBondContact O-OG1 3.13Å; L132-T135 VanDerWaalsContact O-OG1 3.06Å; L132-K136 PolarHBondContact O-N 3.41Å
133	N	92.2	Very high	89	Confident	78 Å²	78	85.6 Å²	85.6	42%	0.417	41%	0.41	S	S	.	.	H	α-helix	trans	-63	-23.3	178.2	-79.3	-32.2	0	0	0	113.7	I129 R131 T135 K136	I129-N133 WeakPolarHBondContact CG2-ND2 3.27Å; I129-N133 VanDerWaalsContact O-CB 3.32Å; I129-N133 WeakPolarHBondContact O-CB 3.33Å; I129-N133 PolarHBondContact O-N 3.46Å; I129-N133 PolarHBondContact O-ND2 2.97Å; R131-N133 VanDerWaalsContact C-N 3.35Å; R131-N133 PolarHBondContact O-N 3.44Å; N133-T135 VanDerWaalsContact C-N 3.31Å; N133-K136 WeakPolarHBondContact O-CB 3.49Å; N133-K136 PolarHBondContact O-N 3.08Å
134	K	92.9	Very high	88.6	Confident	183 Å²	183	79.4 Å²	79.4	80%	0.796	38%	0.384	S	S	*	.	H	α-helix	trans	-69.5	-28.9	172.9	-71.8	175	-177.2	-175.8	0	112.8	K130 R131 L132	K130-K134 WeakPolarHBondContact O-CG 3.33Å; K130-K134 PolarHBondContact O-N 3.24Å; R131-K134 WeakPolarHBondContact O-CB 3.27Å; R131-K134 PolarHBondContact O-N 2.89Å; L132-K134 PolarHBondContact O-N 2.78Å
135	T	92.2	Very high	88.5	Confident	20 Å²	20	79.1 Å²	79.1	12%	0.123	38%	0.383	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.9	10.3	179.5	64.1	0	0	0	0	112.8	K6 E8 L132 N133 E137	K6-T135 HydrophobicContact CB-CG2 4.33Å; K6-T135 PolarHBondContact N-OG1 2.8Å; K6-T135 VanDerWaalsContact N-OG1 3.09Å; K6-T135 WeakPolarHBondContact O-CB 3.08Å; K6-T135 PolarHBondContact O-OG1 2.82Å; E8-T135 HydrophobicContact CG-CG2 4.5Å; L132-T135 PolarHBondContact O-N 2.8Å; L132-T135 PolarHBondContact O-OG1 3.13Å; L132-T135 VanDerWaalsContact O-OG1 3.06Å; N133-T135 VanDerWaalsContact C-N 3.31Å; T135-E137 PolarHBondContact O-N 2.9Å
136	K	92	Very high	88.3	Confident	77 Å²	77	76.3 Å²	76.3	34%	0.335	37%	0.37	S	S	.	.			trans	-71.4	116.8	-179.7	-177.3	-179.7	178.1	175.9	0	110.7	H4 F5 L132 N133	H4-K136 CarbonylContact O-C 3.54Å; H4-K136 VanDerWaalsContact O-CA 3.32Å; H4-K136 WeakPolarHBondContact O-CA 3.35Å; F5-K136 HydrophobicContact CD1-CB 3.89Å; F5-K136 HydrophobicContact CD1-CG 4.2Å; F5-K136 HydrophobicContact CE1-CB 3.75Å; F5-K136 HydrophobicContact CE1-CD 3.88Å; F5-K136 HydrophobicContact CE1-CG 3.68Å; F5-K136 HydrophobicContact CZ-CD 4.16Å; F5-K136 HydrophobicContact CZ-CG 4.06Å; L132-K136 PolarHBondContact O-N 3.41Å; N133-K136 WeakPolarHBondContact O-CB 3.49Å; N133-K136 PolarHBondContact O-N 3.08Å
137	E	92	Very high	88.1	Confident	91 Å²	91	78 Å²	78	43%	0.425	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	134	171	-70.3	172.5	-165.6	0	0	109.2	H4 K6 T135	H4-E137 HydrophobicContact CB-CB 4.29Å; H4-E137 PolarHBondContact N-O 2.98Å; H4-E137 PolarHBondContact O-N 2.99Å; K6-E137 IonicContact NZ-OE1 3.04Å; K6-E137 PolarHBondContact NZ-OE1 2.8Å; K6-E137 IonicContact NZ-OE2 3.85Å; T135-E137 PolarHBondContact O-N 2.9Å
138	Q	89.3	Confident	87.8	Confident	121 Å²	121	74.8 Å²	74.8	57%	0.565	35%	0.349	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.7	115.3	-178.4	-61.5	-167.6	10.6	0	0	109.7	M1 L3	M1-Q138 HydrophobicContact SD-CB 3.71Å; M1-Q138 HydrophobicContact SD-CG 4.16Å; M1-Q138 PolarHBondContact SD-OE1 2.66Å; L3-Q138 HydrophobicContact CD2-CB 4.23Å; L3-Q138 HydrophobicContact CD2-CG 3.63Å
139	C	84.8	Confident	87.7	Confident	37 Å²	37	78.2 Å²	78.2	25%	0.25	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	107.4	177.4	-67.8	0	0	0	0	109.5	M1 V2 H4	M1-C139 WeakPolarHBondContact CG-O 3.38Å; V2-C139 PolarHBondContact N-O 3.22Å; V2-C139 PolarHBondContact O-N 3.1Å; H4-C139 PolarHBondContact CE1-SG 2.89Å; H4-C139 PolarHBondContact ND1-SG 2.75Å; H4-C139 VanDerWaalsContact ND1-SG 3.4Å
140	Q	76.2	Confident	87.6	Confident	142 Å²	142	84.9 Å²	84.9	66%	0.664	39%	0.392	S	S	*	.	S	Bend	trans	-69.4	-36.4	-178.4	-66.1	-175.7	11.1	0	0	112.4
141	H	76.7	Confident	87.4	Confident	175 Å²	175	79.2 Å²	79.2	81%	0.81	37%	0.367	S	S	*	.	S	Bend	trans	-132.9	75.7	-178.8	-60.9	-60	0	0	0	111.3	D143	H141-D143 PolarHBondContact O-N 2.69Å
142	P	78.5	Confident	87.1	Confident	30 Å²	30	77.2 Å²	77.2	20%	0.195	36%	0.363	C	S	.	.			trans	-72.5	124.2	176.6	31.8	-34.7	0	0	0	110.2	V2 L144	V2-P142 HydrophobicContact CB-CG 3.9Å; V2-P142 HydrophobicContact CG2-CG 3.63Å; P142-L144 HydrophobicContact CB-CD2 3.86Å; P142-L144 HydrophobicContact CB-CG 3.93Å; P142-L144 HydrophobicContact CG-CD1 4.35Å; P142-L144 HydrophobicContact CG-CD2 4.29Å; P142-L144 HydrophobicContact CG-CG 4.03Å; P142-L144 PolarHBondContact O-N 3.09Å
143	D	84.7	Confident	87.1	Confident	98 Å²	98	80.8 Å²	80.8	52%	0.524	39%	0.385	S	S	.	.			trans	-78.6	63.8	171.3	-176.7	18.1	0	0	0	110.4	H141 R145 G146 E147	H141-D143 PolarHBondContact O-N 2.69Å; D143-R145 PolarHBondContact O-N 3.39Å; D143-G146 PolarHBondContact O-N 2.81Å; D143-G146 WeakPolarHBondContact OD1-CA 2.95Å; D143-G146 PolarHBondContact OD1-N 2.92Å; D143-E147 PolarHBondContact O-N 3.02Å
144	L	82.7	Confident	87	Confident	11 Å²	11	82.2 Å²	82.2	6%	0.058	38%	0.384	C	S	.	.	H	α-helix	trans	-58.7	-37.4	-176.3	-61	175.2	0	0	0	111.6	E27 L28 W31 P142 R148	E27-L144 HydrophobicContact CB-CD1 4.21Å; L28-L144 HydrophobicContact CD2-CD1 3.72Å; L28-L144 HydrophobicContact CD2-CD2 3.9Å; L28-L144 HydrophobicContact CD2-CG 4.49Å; L28-L144 HydrophobicContact CG-CD1 4.08Å; W31-L144 HydrophobicContact CB-CB 3.71Å; W31-L144 HydrophobicContact CG-CB 4.26Å; P142-L144 HydrophobicContact CB-CD2 3.86Å; P142-L144 HydrophobicContact CB-CG 3.93Å; P142-L144 HydrophobicContact CG-CD1 4.35Å; P142-L144 HydrophobicContact CG-CD2 4.29Å; P142-L144 HydrophobicContact CG-CG 4.03Å; P142-L144 PolarHBondContact O-N 3.09Å; L144-R148 PolarHBondContact O-N 2.79Å
145	R	85.6	Confident	86.8	Confident	134 Å²	134	75.2 Å²	75.2	51%	0.506	36%	0.356	S	S	.	.	H	α-helix	trans	-63.3	-51.4	176	179.3	175.8	178.5	-173.3	-2.5	111	W31 D143 E147 R148 E149	W31-R145 HydrophobicContact CD2-CB 3.79Å; W31-R145 HydrophobicContact CD2-CG 4.1Å; W31-R145 HydrophobicContact CE3-CB 4.04Å; W31-R145 HydrophobicContact CE3-CG 3.91Å; W31-R145 HydrophobicContact CG-CB 4.24Å; W31-R145 HydrophobicContact CH2-CB 4.36Å; W31-R145 HydrophobicContact CH2-CG 3.68Å; W31-R145 HydrophobicContact CZ2-CB 4.11Å; W31-R145 HydrophobicContact CZ2-CG 3.85Å; W31-R145 HydrophobicContact CZ3-CB 4.33Å; W31-R145 HydrophobicContact CZ3-CG 3.71Å; D143-R145 PolarHBondContact O-N 3.39Å; R145-E147 VanDerWaalsContact C-N 3.3Å; R145-E147 PolarHBondContact O-N 3.4Å; R145-R148 PolarHBondContact O-N 2.97Å; R145-E149 HydrophobicContact CG-CG 4.43Å; R145-E149 IonicContact CZ-OE1 3.89Å; R145-E149 IonicContact NE-OE1 3.01Å; R145-E149 PolarHBondContact NE-OE1 3.1Å; R145-E149 IonicContact NH2-OE1 3.65Å; R145-E149 PolarHBondContact NH2-OE1 2.91Å; R145-E149 VanDerWaalsContact NH2-OE1 3.17Å; R145-E149 WeakPolarHBondContact O-CG 3.39Å; R145-E149 PolarHBondContact O-N 3.46Å
146	G	87	Confident	86.7	Confident	9 Å²	9	81 Å²	81	9%	0.093	38%	0.379	C	S	.	.	H	α-helix	trans	-62.6	-36.7	178.8	0	0	0	0	0	112.6	D143 K150	D143-G146 PolarHBondContact O-N 2.81Å; D143-G146 WeakPolarHBondContact OD1-CA 2.95Å; D143-G146 PolarHBondContact OD1-N 2.92Å; G146-K150 VanDerWaalsContact O-CB 3.3Å; G146-K150 WeakPolarHBondContact O-CB 3.47Å; G146-K150 WeakPolarHBondContact O-CD 3.21Å; G146-K150 WeakPolarHBondContact O-CG 3.36Å; G146-K150 PolarHBondContact O-N 3.18Å
147	E	86.9	Confident	86.8	Confident	67 Å²	67	81.9 Å²	81.9	31%	0.313	39%	0.387	S	S	.	.	H	α-helix	trans	-61.4	-46.7	173.5	-74.7	-169.1	-180	0	0	112.3	R52 D143 R145 K150 R151	R52-E147 IonicContact NH1-OE2 2.7Å; R52-E147 PolarHBondContact NH1-OE2 2.87Å; D143-E147 PolarHBondContact O-N 3.02Å; R145-E147 VanDerWaalsContact C-N 3.3Å; R145-E147 PolarHBondContact O-N 3.4Å; E147-K150 PolarHBondContact O-N 3.23Å; E147-R151 WeakPolarHBondContact O-CB 3.47Å; E147-R151 PolarHBondContact O-N 2.87Å
148	R	87.1	Confident	86.8	Confident	49 Å²	49	82.6 Å²	82.6	19%	0.185	39%	0.389	C	S	.	.	H	α-helix	trans	-64.4	-46.3	177.4	-178.4	169.1	172.5	169.4	4.3	111.9	R30 W31 G32 L144 R145 K150 R151 D152	R30-R148 PolarHBondContact O-NH1 3.43Å; W31-R148 WeakPolarHBondContact O-CD 3.24Å; G32-R148 PolarHBondContact O-NH1 3.46Å; L144-R148 PolarHBondContact O-N 2.79Å; R145-R148 PolarHBondContact O-N 2.97Å; R148-K150 VanDerWaalsContact C-N 3.33Å; R148-K150 PolarHBondContact O-N 2.52Å; R148-R151 PolarHBondContact O-N 2.86Å; R148-D152 IonicContact NE-OD2 2.75Å; R148-D152 WeakPolarHBondContact O-CB 3.48Å; R148-D152 PolarHBondContact O-N 3.28Å
149	E	89.1	Confident	86.9	Confident	88 Å²	88	82.7 Å²	82.7	41%	0.411	39%	0.389	S	S	.	.	H	α-helix	trans	-62.3	-39.6	178.7	-72.9	179.5	-178.1	0	0	111.9	R145 T153	R145-E149 HydrophobicContact CG-CG 4.43Å; R145-E149 IonicContact CZ-OE1 3.89Å; R145-E149 IonicContact NE-OE1 3.01Å; R145-E149 PolarHBondContact NE-OE1 3.1Å; R145-E149 IonicContact NH2-OE1 3.65Å; R145-E149 PolarHBondContact NH2-OE1 2.91Å; R145-E149 VanDerWaalsContact NH2-OE1 3.17Å; R145-E149 WeakPolarHBondContact O-CG 3.39Å; R145-E149 PolarHBondContact O-N 3.46Å; E149-T153 VanDerWaalsContact O-CB 3.27Å; E149-T153 WeakPolarHBondContact O-CB 3.27Å; E149-T153 PolarHBondContact O-N 2.77Å; E149-T153 PolarHBondContact O-OG1 3.37Å
150	K	90.1	Very high	87.3	Confident	148 Å²	148	88.3 Å²	88.3	64%	0.643	41%	0.41	S	S	*	.	H	α-helix	trans	-63.2	-44.7	173.4	-75.4	168.4	-173	167.6	0	111.7	G146 E147 R148 T153 R154	G146-K150 VanDerWaalsContact O-CB 3.3Å; G146-K150 WeakPolarHBondContact O-CB 3.47Å; G146-K150 WeakPolarHBondContact O-CD 3.21Å; G146-K150 WeakPolarHBondContact O-CG 3.36Å; G146-K150 PolarHBondContact O-N 3.18Å; E147-K150 PolarHBondContact O-N 3.23Å; R148-K150 VanDerWaalsContact C-N 3.33Å; R148-K150 PolarHBondContact O-N 2.52Å; K150-T153 PolarHBondContact O-N 2.8Å; K150-R154 WeakPolarHBondContact O-CB 3.4Å; K150-R154 PolarHBondContact O-N 3.43Å
151	R	88.1	Confident	88.1	Confident	17 Å²	17	84.4 Å²	84.4	6%	0.064	40%	0.402	C	S	.	.	H	α-helix	trans	-62.6	-48.4	177.3	178.8	-114.2	179.1	-154.3	1.1	111.2	W33 E35 E147 R148 T153 R154 I155	W33-R151 HydrophobicContact CD2-CG 4.05Å; W33-R151 HydrophobicContact CE3-CG 4.06Å; W33-R151 HydrophobicContact CH2-CB 4.26Å; W33-R151 HydrophobicContact CH2-CG 4.06Å; W33-R151 HydrophobicContact CZ2-CB 3.87Å; W33-R151 HydrophobicContact CZ2-CG 4.03Å; W33-R151 HydrophobicContact CZ3-CG 4.05Å; E35-R151 IonicContact OE1-CZ 2.64Å; E35-R151 IonicContact OE1-NH2 3.52Å; E35-R151 PolarHBondContact OE1-NH2 3.38Å; E147-R151 WeakPolarHBondContact O-CB 3.47Å; E147-R151 PolarHBondContact O-N 2.87Å; R148-R151 PolarHBondContact O-N 2.86Å; R151-T153 VanDerWaalsContact C-N 3.33Å; R151-T153 PolarHBondContact O-N 2.88Å; R151-R154 WeakPolarHBondContact O-CB 3.41Å; R151-R154 PolarHBondContact O-N 2.84Å; R151-R154 VanDerWaalsContact O-N 3.15Å; R151-I155 HydrophobicContact CG-CD1 4.08Å; R151-I155 VanDerWaalsContact NE-CD1 3.26Å; R151-I155 WeakPolarHBondContact O-CG1 3.29Å; R151-I155 PolarHBondContact O-N 2.98Å
152	D	89	Confident	88.9	Confident	47 Å²	47	79.1 Å²	79.1	25%	0.251	39%	0.388	S	S	.	.	H	α-helix	trans	-65.3	-37.5	179.8	-68.9	-11.8	0	0	0	111.6	R148 I155 K156	R148-D152 IonicContact NE-OD2 2.75Å; R148-D152 WeakPolarHBondContact O-CB 3.48Å; R148-D152 PolarHBondContact O-N 3.28Å; D152-I155 PolarHBondContact O-N 2.81Å; D152-K156 WeakPolarHBondContact O-CB 3.45Å; D152-K156 VanDerWaalsContact O-CG 3.27Å; D152-K156 WeakPolarHBondContact O-CG 3.45Å; D152-K156 PolarHBondContact O-N 2.78Å
153	T	91.2	Very high	89.7	Confident	74 Å²	74	82.3 Å²	82.3	45%	0.454	40%	0.403	S	S	.	.	H	α-helix	trans	-65.3	-42.1	172.7	-58.4	0	0	0	0	111.5	E149 K150 R151 K156 N157	E149-T153 VanDerWaalsContact O-CB 3.27Å; E149-T153 WeakPolarHBondContact O-CB 3.27Å; E149-T153 PolarHBondContact O-N 2.77Å; E149-T153 PolarHBondContact O-OG1 3.37Å; K150-T153 PolarHBondContact O-N 2.8Å; R151-T153 VanDerWaalsContact C-N 3.33Å; R151-T153 PolarHBondContact O-N 2.88Å; T153-K156 PolarHBondContact O-N 2.7Å; T153-N157 VanDerWaalsContact O-CB 3.29Å; T153-N157 WeakPolarHBondContact O-CB 3.38Å; T153-N157 PolarHBondContact O-N 3.5Å; T153-N157 PolarHBondContact O-ND2 3.44Å
154	R	90.8	Very high	90.1	Very high	108 Å²	108	80.4 Å²	80.4	41%	0.408	40%	0.401	S	S	.	.	H	α-helix	trans	-60.5	-46.4	175.7	-178	175.7	73.9	-146.3	1.7	111.3	E55 K150 R151 N157 K158	E55-R154 IonicContact OE1-CZ 3.94Å; E55-R154 VanDerWaalsContact OE1-CZ 3.28Å; E55-R154 IonicContact OE1-NE 3.17Å; E55-R154 PolarHBondContact OE1-NE 3.36Å; E55-R154 VanDerWaalsContact OE1-NE 3.09Å; E55-R154 IonicContact OE1-NH2 3.43Å; E55-R154 PolarHBondContact OE1-NH2 2.8Å; K150-R154 WeakPolarHBondContact O-CB 3.4Å; K150-R154 PolarHBondContact O-N 3.43Å; R151-R154 WeakPolarHBondContact O-CB 3.41Å; R151-R154 PolarHBondContact O-N 2.84Å; R151-R154 VanDerWaalsContact O-N 3.15Å; R154-N157 PolarHBondContact O-N 2.83Å; R154-K158 HydrophobicContact CG-CD 4.46Å; R154-K158 WeakPolarHBondContact O-CB 3.44Å; R154-K158 WeakPolarHBondContact O-CG 3.46Å; R154-K158 PolarHBondContact O-N 3.34Å
155	I	88.7	Confident	90.7	Very high	37 Å²	37	82.7 Å²	82.7	19%	0.19	42%	0.422	C	S	.	.	H	α-helix	trans	-63.5	-50.2	178.5	-69	170.6	0	0	0	110.4	R151 D152 N157 K158 E159	R151-I155 HydrophobicContact CG-CD1 4.08Å; R151-I155 VanDerWaalsContact NE-CD1 3.26Å; R151-I155 WeakPolarHBondContact O-CG1 3.29Å; R151-I155 PolarHBondContact O-N 2.98Å; D152-I155 PolarHBondContact O-N 2.81Å; I155-N157 VanDerWaalsContact C-N 3.29Å; I155-N157 PolarHBondContact O-N 3.12Å; I155-K158 WeakPolarHBondContact O-CB 3.37Å; I155-K158 PolarHBondContact O-N 2.99Å; I155-K158 VanDerWaalsContact O-N 3.1Å; I155-E159 HydrophobicContact CG2-CG 4.32Å; I155-E159 WeakPolarHBondContact O-CG 3.44Å; I155-E159 PolarHBondContact O-N 3.31Å
156	K	91	Very high	91.1	Very high	140 Å²	140	82.2 Å²	82.2	61%	0.609	42%	0.423	S	S	*	.	H	α-helix	trans	-57.5	-41.4	176.9	-74.9	175.4	-178.7	177	0	112.7	D152 T153 E159 K160	D152-K156 WeakPolarHBondContact O-CB 3.45Å; D152-K156 VanDerWaalsContact O-CG 3.27Å; D152-K156 WeakPolarHBondContact O-CG 3.45Å; D152-K156 PolarHBondContact O-N 2.78Å; T153-K156 PolarHBondContact O-N 2.7Å; K156-E159 PolarHBondContact O-N 2.77Å; K156-K160 VanDerWaalsContact O-CB 3.26Å; K156-K160 WeakPolarHBondContact O-CB 3.34Å; K156-K160 PolarHBondContact O-N 2.83Å
157	N	92.8	Very high	91.5	Very high	97 Å²	97	88 Å²	88	52%	0.519	45%	0.446	S	S	.	.	H	α-helix	trans	-67	-41	177.2	-73.7	-17.2	0	0	0	111.7	T153 R154 I155 A161	T153-N157 VanDerWaalsContact O-CB 3.29Å; T153-N157 WeakPolarHBondContact O-CB 3.38Å; T153-N157 PolarHBondContact O-N 3.5Å; T153-N157 PolarHBondContact O-ND2 3.44Å; R154-N157 PolarHBondContact O-N 2.83Å; I155-N157 VanDerWaalsContact C-N 3.29Å; I155-N157 PolarHBondContact O-N 3.12Å; N157-A161 VanDerWaalsContact O-CB 3.24Å; N157-A161 WeakPolarHBondContact O-CB 3.32Å; N157-A161 PolarHBondContact O-N 3.17Å
158	K	91.6	Very high	91.8	Very high	105 Å²	105	91.1 Å²	91.1	46%	0.457	46%	0.458	S	S	.	.	H	α-helix	trans	-61.3	-47.1	173.3	-76.7	-179.2	178.1	-172.6	0	111.4	E55 R154 I155 A161 A162	E55-K158 IonicContact OE1-NZ 2.72Å; E55-K158 IonicContact OE2-NZ 3.28Å; E55-K158 PolarHBondContact OE2-NZ 3.18Å; R154-K158 HydrophobicContact CG-CD 4.46Å; R154-K158 WeakPolarHBondContact O-CB 3.44Å; R154-K158 WeakPolarHBondContact O-CG 3.46Å; R154-K158 PolarHBondContact O-N 3.34Å; I155-K158 WeakPolarHBondContact O-CB 3.37Å; I155-K158 PolarHBondContact O-N 2.99Å; I155-K158 VanDerWaalsContact O-N 3.1Å; K158-A161 PolarHBondContact O-N 3.48Å; K158-A162 WeakPolarHBondContact O-CB 3.44Å; K158-A162 PolarHBondContact O-N 3.1Å
159	E	91.4	Very high	92.1	Very high	123 Å²	123	91.8 Å²	91.8	58%	0.575	47%	0.47	S	S	*	.	H	α-helix	trans	-62.5	-45.1	177.6	-71.6	178.1	159.9	0	0	112	I155 K156 A161 A162 L163	I155-E159 HydrophobicContact CG2-CG 4.32Å; I155-E159 WeakPolarHBondContact O-CG 3.44Å; I155-E159 PolarHBondContact O-N 3.31Å; K156-E159 PolarHBondContact O-N 2.77Å; E159-A161 PolarHBondContact O-N 3.25Å; E159-A162 PolarHBondContact O-N 3.37Å; E159-L163 WeakPolarHBondContact O-CB 3.29Å; E159-L163 PolarHBondContact O-N 3.22Å
160	K	93.5	Very high	92.4	Very high	156 Å²	156	91.8 Å²	91.8	68%	0.678	47%	0.471	S	S	*	.	H	α-helix	trans	-62.6	-42.4	176.1	-174.1	-179.9	179.8	-177.6	0	111.6	K156 L163 A164	K156-K160 VanDerWaalsContact O-CB 3.26Å; K156-K160 WeakPolarHBondContact O-CB 3.34Å; K156-K160 PolarHBondContact O-N 2.83Å; K160-L163 PolarHBondContact O-N 3.42Å; K160-A164 VanDerWaalsContact O-CB 3.3Å; K160-A164 WeakPolarHBondContact O-CB 3.31Å; K160-A164 PolarHBondContact O-N 3.3Å
161	A	94.4	Very high	92.6	Very high	60 Å²	60	88.9 Å²	88.9	50%	0.496	46%	0.462	S	S	.	.	H	α-helix	trans	-64.7	-42.8	176	0	0	0	0	0	111.6	N157 K158 E159 A164 A165	N157-A161 VanDerWaalsContact O-CB 3.24Å; N157-A161 WeakPolarHBondContact O-CB 3.32Å; N157-A161 PolarHBondContact O-N 3.17Å; K158-A161 PolarHBondContact O-N 3.48Å; E159-A161 PolarHBondContact O-N 3.25Å; A161-A164 PolarHBondContact O-N 3Å; A161-A165 VanDerWaalsContact O-CB 3.31Å; A161-A165 WeakPolarHBondContact O-CB 3.35Å; A161-A165 PolarHBondContact O-N 3Å
162	A	93.6	Very high	92.9	Very high	63 Å²	63	92.8 Å²	92.8	52%	0.521	48%	0.481	S	S	.	.	H	α-helix	trans	-62.8	-43.1	175.9	0	0	0	0	0	111.9	K158 E159 A165 K166	K158-A162 WeakPolarHBondContact O-CB 3.44Å; K158-A162 PolarHBondContact O-N 3.1Å; E159-A162 PolarHBondContact O-N 3.37Å; A162-A165 PolarHBondContact O-N 3.43Å; A162-K166 WeakPolarHBondContact O-CB 3.36Å; A162-K166 PolarHBondContact O-N 3.02Å
163	L	93.7	Very high	93.1	Very high	97 Å²	97	93.4 Å²	93.4	51%	0.508	49%	0.492	S	S	.	.	H	α-helix	trans	-66.2	-41.5	176.2	-174.2	67	0	0	0	112.1	E159 K160 K166 K167	E159-L163 WeakPolarHBondContact O-CB 3.29Å; E159-L163 PolarHBondContact O-N 3.22Å; K160-L163 PolarHBondContact O-N 3.42Å; L163-K166 PolarHBondContact O-N 3.43Å; L163-K167 WeakPolarHBondContact O-CG 3.23Å; L163-K167 PolarHBondContact O-N 3.48Å
164	A	94.7	Very high	93.1	Very high	59 Å²	59	96.4 Å²	96.4	49%	0.488	50%	0.501	S	S	.	.	H	α-helix	trans	-65.1	-41	176.1	0	0	0	0	0	111.9	K160 A161 K167 K168	K160-A164 VanDerWaalsContact O-CB 3.3Å; K160-A164 WeakPolarHBondContact O-CB 3.31Å; K160-A164 PolarHBondContact O-N 3.3Å; A161-A164 PolarHBondContact O-N 3Å; A164-K167 PolarHBondContact O-N 3.3Å; A164-K168 WeakPolarHBondContact O-CB 3.46Å; A164-K168 PolarHBondContact O-N 3.48Å
165	A	94.6	Very high	93.2	Very high	59 Å²	59	97.7 Å²	97.7	49%	0.488	51%	0.51	S	S	.	.	H	α-helix	trans	-62.3	-45.9	174.4	0	0	0	0	0	111.5	A161 A162 K168 S169	A161-A165 VanDerWaalsContact O-CB 3.31Å; A161-A165 WeakPolarHBondContact O-CB 3.35Å; A161-A165 PolarHBondContact O-N 3Å; A162-A165 PolarHBondContact O-N 3.43Å; A165-K168 PolarHBondContact O-N 3.49Å; A165-S169 PolarHBondContact O-N 3.3Å; A165-S169 PolarHBondContact O-OG 3.16Å
166	K	94.1	Very high	93.4	Very high	123 Å²	123	100 Å²	100	54%	0.535	53%	0.525	S	S	.	.	H	α-helix	trans	-59.6	-47.1	175.8	-177.7	175.8	174.5	178.7	0	112.1	A162 L163 K168 S169 E170	A162-K166 WeakPolarHBondContact O-CB 3.36Å; A162-K166 PolarHBondContact O-N 3.02Å; L163-K166 PolarHBondContact O-N 3.43Å; K166-K168 VanDerWaalsContact C-N 3.34Å; K166-K168 PolarHBondContact O-N 3.25Å; K166-S169 WeakPolarHBondContact CA-OG 3.44Å; K166-S169 PolarHBondContact O-N 3Å; K166-S169 PolarHBondContact O-OG 3.47Å; K166-E170 WeakPolarHBondContact CE-OE1 3.44Å; K166-E170 WeakPolarHBondContact CG-OE1 3.24Å; K166-E170 WeakPolarHBondContact O-CB 3.36Å; K166-E170 VanDerWaalsContact O-CG 3.3Å; K166-E170 WeakPolarHBondContact O-CG 3.42Å; K166-E170 PolarHBondContact O-N 2.89Å
167	K	94.6	Very high	93.4	Very high	132 Å²	132	102.7 Å²	102.7	57%	0.574	53%	0.531	S	S	*	.	H	α-helix	trans	-61.5	-40.5	176.3	-75.3	-178.6	178.6	-174.4	0	112.3	L163 A164 E170 L171	L163-K167 WeakPolarHBondContact O-CG 3.23Å; L163-K167 PolarHBondContact O-N 3.48Å; A164-K167 PolarHBondContact O-N 3.3Å; K167-E170 PolarHBondContact O-N 3.05Å; K167-L171 WeakPolarHBondContact O-CB 3.4Å; K167-L171 PolarHBondContact O-N 3.44Å
168	K	94.7	Very high	93.3	Very high	131 Å²	131	100.9 Å²	100.9	57%	0.57	53%	0.53	S	S	*	.	H	α-helix	trans	-64	-46.9	177	-176.5	179.9	170.7	-175.9	0	111.1	A164 A165 K166 E170 L171 E172	A164-K168 WeakPolarHBondContact O-CB 3.46Å; A164-K168 PolarHBondContact O-N 3.48Å; A165-K168 PolarHBondContact O-N 3.49Å; K166-K168 VanDerWaalsContact C-N 3.34Å; K166-K168 PolarHBondContact O-N 3.25Å; K168-E170 PolarHBondContact O-N 2.88Å; K168-L171 PolarHBondContact O-N 3.28Å; K168-E172 WeakPolarHBondContact CE-OE1 3.44Å; K168-E172 IonicContact NZ-OE1 3.44Å; K168-E172 WeakPolarHBondContact O-CB 3.45Å; K168-E172 WeakPolarHBondContact O-CG 3.49Å; K168-E172 PolarHBondContact O-N 2.9Å
169	S	93.4	Very high	93.2	Very high	63 Å²	63	97.9 Å²	97.9	44%	0.441	53%	0.525	S	S	.	.	H	α-helix	trans	-64.5	-38.1	177.7	57.2	0	0	0	0	112.8	A165 K166 A173	A165-S169 PolarHBondContact O-N 3.3Å; A165-S169 PolarHBondContact O-OG 3.16Å; K166-S169 WeakPolarHBondContact CA-OG 3.44Å; K166-S169 PolarHBondContact O-N 3Å; K166-S169 PolarHBondContact O-OG 3.47Å; S169-A173 VanDerWaalsContact O-CB 3.3Å; S169-A173 WeakPolarHBondContact O-CB 3.48Å; S169-A173 PolarHBondContact O-N 3.47Å
170	E	94.3	Very high	93.1	Very high	89 Å²	89	96.7 Å²	96.7	42%	0.416	52%	0.519	S	S	.	.	H	α-helix	trans	-65.6	-42.3	175.9	-75.1	171.4	178.4	0	0	111.6	K166 K167 K168 A173 Q174	K166-E170 WeakPolarHBondContact CE-OE1 3.44Å; K166-E170 WeakPolarHBondContact CG-OE1 3.24Å; K166-E170 WeakPolarHBondContact O-CB 3.36Å; K166-E170 VanDerWaalsContact O-CG 3.3Å; K166-E170 WeakPolarHBondContact O-CG 3.42Å; K166-E170 PolarHBondContact O-N 2.89Å; K167-E170 PolarHBondContact O-N 3.05Å; K168-E170 PolarHBondContact O-N 2.88Å; E170-A173 PolarHBondContact O-N 3.39Å; E170-Q174 WeakPolarHBondContact O-CB 3.35Å; E170-Q174 VanDerWaalsContact O-CG 3.28Å; E170-Q174 WeakPolarHBondContact O-CG 3.36Å; E170-Q174 PolarHBondContact O-N 3.29Å
171	L	94.4	Very high	92.8	Very high	87 Å²	87	91.9 Å²	91.9	46%	0.455	51%	0.509	S	S	.	.	H	α-helix	trans	-68.4	-38.1	177.5	-175.9	136.8	0	0	0	112.2	K167 K168 Q174 K175	K167-L171 WeakPolarHBondContact O-CB 3.4Å; K167-L171 PolarHBondContact O-N 3.44Å; K168-L171 PolarHBondContact O-N 3.28Å; L171-Q174 PolarHBondContact O-N 3.5Å; L171-K175 HydrophobicContact CD2-CD 3.93Å; L171-K175 VanDerWaalsContact CD2-CE 3.43Å; L171-K175 WeakPolarHBondContact O-CB 3.46Å; L171-K175 VanDerWaalsContact O-CG 3.31Å; L171-K175 WeakPolarHBondContact O-CG 2.84Å; L171-K175 PolarHBondContact O-N 2.85Å
172	E	93.5	Very high	92.4	Very high	99 Å²	99	93.6 Å²	93.6	46%	0.463	51%	0.506	S	S	.	.	H	α-helix	trans	-65.4	-44.5	172.9	-74.9	173.3	-178.4	0	0	111.4	K168 Q174 K175 V176	K168-E172 WeakPolarHBondContact CE-OE1 3.44Å; K168-E172 IonicContact NZ-OE1 3.44Å; K168-E172 WeakPolarHBondContact O-CB 3.45Å; K168-E172 WeakPolarHBondContact O-CG 3.49Å; K168-E172 PolarHBondContact O-N 2.9Å; E172-Q174 VanDerWaalsContact C-N 3.35Å; E172-Q174 PolarHBondContact O-N 3.33Å; E172-K175 PolarHBondContact O-N 2.99Å; E172-V176 WeakPolarHBondContact O-CG2 3.24Å; E172-V176 PolarHBondContact O-N 3Å
173	A	93.6	Very high	91.8	Very high	60 Å²	60	99.3 Å²	99.3	50%	0.496	52%	0.519	S	S	.	.	H	α-helix	trans	-62.2	-39.7	175.1	0	0	0	0	0	112.4	S169 E170 V176 R177	S169-A173 VanDerWaalsContact O-CB 3.3Å; S169-A173 WeakPolarHBondContact O-CB 3.48Å; S169-A173 PolarHBondContact O-N 3.47Å; E170-A173 PolarHBondContact O-N 3.39Å; A173-V176 PolarHBondContact O-N 2.84Å; A173-R177 VanDerWaalsContact O-CB 3.32Å; A173-R177 WeakPolarHBondContact O-CB 3.32Å; A173-R177 PolarHBondContact O-N 3.11Å
174	Q	92.2	Very high	91.3	Very high	136 Å²	136	103.9 Å²	103.9	64%	0.636	53%	0.53	S	S	*	.	H	α-helix	trans	-64.6	-42.1	174.1	-76.7	177.6	15.1	0	0	112.1	E170 L171 E172 R177 A178	E170-Q174 WeakPolarHBondContact O-CB 3.35Å; E170-Q174 VanDerWaalsContact O-CG 3.28Å; E170-Q174 WeakPolarHBondContact O-CG 3.36Å; E170-Q174 PolarHBondContact O-N 3.29Å; L171-Q174 PolarHBondContact O-N 3.5Å; E172-Q174 VanDerWaalsContact C-N 3.35Å; E172-Q174 PolarHBondContact O-N 3.33Å; Q174-R177 PolarHBondContact O-N 3.48Å; Q174-A178 VanDerWaalsContact O-CB 3.29Å; Q174-A178 WeakPolarHBondContact O-CB 3.48Å; Q174-A178 PolarHBondContact O-N 3.29Å
175	K	93.2	Very high	90.5	Very high	136 Å²	136	102.9 Å²	102.9	59%	0.591	52%	0.519	S	S	*	.	H	α-helix	trans	-63.1	-43.5	176.1	-77.4	176.2	176.2	179.9	0	112.2	L171 E172 A178 A179	L171-K175 HydrophobicContact CD2-CD 3.93Å; L171-K175 VanDerWaalsContact CD2-CE 3.43Å; L171-K175 WeakPolarHBondContact O-CB 3.46Å; L171-K175 VanDerWaalsContact O-CG 3.31Å; L171-K175 WeakPolarHBondContact O-CG 2.84Å; L171-K175 PolarHBondContact O-N 2.85Å; E172-K175 PolarHBondContact O-N 2.99Å; K175-A178 PolarHBondContact O-N 3.17Å; K175-A179 WeakPolarHBondContact O-CB 3.47Å; K175-A179 PolarHBondContact O-N 3.06Å
176	V	92.5	Very high	89.3	Confident	84 Å²	84	108 Å²	108	51%	0.509	53%	0.527	S	S	.	.	H	α-helix	trans	-61.9	-47.2	175.6	172.8	0	0	0	0	110.2	E172 A173 A178 A179 E180	E172-V176 WeakPolarHBondContact O-CG2 3.24Å; E172-V176 PolarHBondContact O-N 3Å; A173-V176 PolarHBondContact O-N 2.84Å; V176-A178 PolarHBondContact O-N 3.21Å; V176-A179 PolarHBondContact O-N 3.24Å; V176-E180 WeakPolarHBondContact O-CG 3.21Å; V176-E180 PolarHBondContact O-N 3.27Å
177	R	91.6	Very high	88.1	Confident	197 Å²	197	108 Å²	108	74%	0.743	53%	0.533	S	S	*	.	H	α-helix	trans	-61.9	-40.4	177.8	-169.1	176.3	-171.8	174.5	-0.6	112.8	A173 Q174 A181	A173-R177 VanDerWaalsContact O-CB 3.32Å; A173-R177 WeakPolarHBondContact O-CB 3.32Å; A173-R177 PolarHBondContact O-N 3.11Å; Q174-R177 PolarHBondContact O-N 3.48Å; R177-A181 WeakPolarHBondContact O-CB 3.1Å; R177-A181 PolarHBondContact O-N 3.28Å
178	A	90.3	Very high	86.7	Confident	59 Å²	59	110.3 Å²	110.3	49%	0.488	54%	0.538	S	S	.	.	H	α-helix	trans	-67	-42.7	176.4	0	0	0	0	0	111.7	Q174 K175 V176 E180 A181 E182	Q174-A178 VanDerWaalsContact O-CB 3.29Å; Q174-A178 WeakPolarHBondContact O-CB 3.48Å; Q174-A178 PolarHBondContact O-N 3.29Å; K175-A178 PolarHBondContact O-N 3.17Å; V176-A178 PolarHBondContact O-N 3.21Å; A178-E180 PolarHBondContact O-N 2.77Å; A178-A181 PolarHBondContact O-N 3.09Å; A178-E182 WeakPolarHBondContact O-CB 3.15Å; A178-E182 PolarHBondContact O-N 2.96Å
179	A	89.1	Confident	85.1	Confident	42 Å²	42	110 Å²	110	35%	0.347	54%	0.542	S	S	.	.	H	α-helix	trans	-65.9	-35.8	176.8	0	0	0	0	0	112.5	K175 V176 K183	K175-A179 WeakPolarHBondContact O-CB 3.47Å; K175-A179 PolarHBondContact O-N 3.06Å; V176-A179 PolarHBondContact O-N 3.24Å; A179-K183 VanDerWaalsContact O-CG 3.27Å; A179-K183 WeakPolarHBondContact O-CG 3.46Å; A179-K183 PolarHBondContact O-N 2.66Å; A179-K183 VanDerWaalsContact O-N 3.09Å
180	E	88.5	Confident	83.6	Confident	99 Å²	99	113.7 Å²	113.7	46%	0.463	55%	0.551	S	S	.	*	H	α-helix	trans	-68.6	-41.5	172.3	-73.9	-178.7	180	0	0	112.3	V176 A178 K183 R184	V176-E180 WeakPolarHBondContact O-CG 3.21Å; V176-E180 PolarHBondContact O-N 3.27Å; A178-E180 PolarHBondContact O-N 2.77Å; E180-K183 PolarHBondContact O-N 3.31Å; E180-R184 WeakPolarHBondContact O-CG 3.47Å; E180-R184 PolarHBondContact O-N 3.47Å
181	A	88.2	Confident	82.4	Confident	55 Å²	55	112.1 Å²	112.1	46%	0.455	55%	0.547	S	S	.	.	H	α-helix	trans	-63.5	-42.2	175.3	0	0	0	0	0	111.5	R177 A178 K183 R184 S185	R177-A181 WeakPolarHBondContact O-CB 3.1Å; R177-A181 PolarHBondContact O-N 3.28Å; A178-A181 PolarHBondContact O-N 3.09Å; A181-K183 PolarHBondContact O-N 3.2Å; A181-R184 CarbonylContact O-C 3.56Å; A181-R184 PolarHBondContact O-N 2.87Å; A181-R184 VanDerWaalsContact O-N 3.13Å; A181-S185 WeakPolarHBondContact O-CB 3.32Å; A181-S185 PolarHBondContact O-N 3.36Å
182	E	85.6	Confident	81.1	Confident	95 Å²	95	116.2 Å²	116.2	44%	0.444	56%	0.564	S	S	.	*	H	α-helix	trans	-63.4	-41.6	176.7	-170.8	-177	-175	0	0	111.6	A178 R184 S185 R188	A178-E182 WeakPolarHBondContact O-CB 3.15Å; A178-E182 PolarHBondContact O-N 2.96Å; E182-R184 VanDerWaalsContact C-N 3.26Å; E182-R184 PolarHBondContact O-N 3.44Å; E182-S185 WeakPolarHBondContact CA-OG 3.45Å; E182-S185 PolarHBondContact O-N 3.04Å; E182-S185 PolarHBondContact O-OG 2.96Å; E182-R188 IonicContact OE1-CZ 3.59Å; E182-R188 IonicContact OE1-NE 3.4Å; E182-R188 IonicContact OE1-NH2 3.75Å; E182-R188 PolarHBondContact OE1-NH2 2.72Å
183	K	81.5	Confident	80	Confident	184 Å²	184	116.7 Å²	116.7	80%	0.8	58%	0.578	S	S	*	*	H	α-helix	trans	-64.2	-29.4	173.8	-73.9	173.9	-174.4	179.8	0	113.2	A179 E180 A181	A179-K183 VanDerWaalsContact O-CG 3.27Å; A179-K183 WeakPolarHBondContact O-CG 3.46Å; A179-K183 PolarHBondContact O-N 2.66Å; A179-K183 VanDerWaalsContact O-N 3.09Å; E180-K183 PolarHBondContact O-N 3.31Å; A181-K183 PolarHBondContact O-N 3.2Å
184	R	82.3	Confident	78.7	Confident	193 Å²	193	121.6 Å²	121.6	73%	0.728	59%	0.588	S	S	*	*	H	α-helix	trans	-83.9	-24.5	175.2	-71.7	177.4	-175.8	177.7	4.9	112.7	E180 A181 E182	E180-R184 WeakPolarHBondContact O-CG 3.47Å; E180-R184 PolarHBondContact O-N 3.47Å; A181-R184 CarbonylContact O-C 3.56Å; A181-R184 PolarHBondContact O-N 2.87Å; A181-R184 VanDerWaalsContact O-N 3.13Å; E182-R184 VanDerWaalsContact C-N 3.26Å; E182-R184 PolarHBondContact O-N 3.44Å
185	S	78.3	Confident	77.5	Confident	38 Å²	38	119.9 Å²	119.9	27%	0.266	58%	0.581	S	S	.	*			trans	-73.8	130.2	179.9	71.5	0	0	0	0	110.3	A181 E182 D187	A181-S185 WeakPolarHBondContact O-CB 3.32Å; A181-S185 PolarHBondContact O-N 3.36Å; E182-S185 WeakPolarHBondContact CA-OG 3.45Å; E182-S185 PolarHBondContact O-N 3.04Å; E182-S185 PolarHBondContact O-OG 2.96Å; S185-D187 PolarHBondContact O-N 3.32Å
186	Y	69.1	Low	76.2	Confident	165 Å²	165	124.3 Å²	124.3	65%	0.647	59%	0.594	S	S	*	*			trans	-82.7	10.7	172.6	-65.3	-70.4	0	0	0	112.3	R188 L189 F190	Y186-R188 PolarHBondContact O-N 2.88Å; Y186-R188 VanDerWaalsContact O-N 3.08Å; Y186-L189 HydrophobicContact CD1-CD1 3.44Å; Y186-L189 VanDerWaalsContact CD1-CD1 3.44Å; Y186-L189 HydrophobicContact CD1-CG 4.37Å; Y186-L189 HydrophobicContact CE1-CD1 4.24Å; Y186-L189 HydrophobicContact CG-CD1 4.19Å; Y186-L189 WeakPolarHBondContact O-CA 3.42Å; Y186-L189 VanDerWaalsContact O-CB 3.27Å; Y186-L189 WeakPolarHBondContact O-CB 3.44Å; Y186-L189 PolarHBondContact O-N 2.92Å; Y186-F190 WeakPolarHBondContact O-CD2 3.38Å; Y186-F190 PolarHBondContact O-N 3.49Å
187	D	69.1	Low	75.1	Confident	123 Å²	123	125.7 Å²	125.7	66%	0.658	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.7	-31.2	-175.1	-67.4	-8.5	0	0	0	112.5	S185 L189 F190	S185-D187 PolarHBondContact O-N 3.32Å; D187-L189 VanDerWaalsContact C-N 3.27Å; D187-L189 PolarHBondContact O-N 3.22Å; D187-F190 PolarHBondContact O-N 3.21Å
188	R	64.8	Low	73.8	Confident	181 Å²	181	123.8 Å²	123.8	68%	0.683	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72	-16	175	-63.2	-177.7	179.8	-173.9	-1.8	114.2	E182 Y186	E182-R188 IonicContact OE1-CZ 3.59Å; E182-R188 IonicContact OE1-NE 3.4Å; E182-R188 IonicContact OE1-NH2 3.75Å; E182-R188 PolarHBondContact OE1-NH2 2.72Å; Y186-R188 PolarHBondContact O-N 2.88Å; Y186-R188 VanDerWaalsContact O-N 3.08Å
189	L	61.7	Low	72.2	Confident	126 Å²	126	129 Å²	129	66%	0.66	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.9	-29.6	172.4	-62.6	-179.1	0	0	0	111.5	Y186 D187 V191	Y186-L189 HydrophobicContact CD1-CD1 3.44Å; Y186-L189 VanDerWaalsContact CD1-CD1 3.44Å; Y186-L189 HydrophobicContact CD1-CG 4.37Å; Y186-L189 HydrophobicContact CE1-CD1 4.24Å; Y186-L189 HydrophobicContact CG-CD1 4.19Å; Y186-L189 WeakPolarHBondContact O-CA 3.42Å; Y186-L189 VanDerWaalsContact O-CB 3.27Å; Y186-L189 WeakPolarHBondContact O-CB 3.44Å; Y186-L189 PolarHBondContact O-N 2.92Å; D187-L189 VanDerWaalsContact C-N 3.27Å; D187-L189 PolarHBondContact O-N 3.22Å; L189-V191 VanDerWaalsContact C-N 3.34Å; L189-V191 PolarHBondContact O-N 2.98Å
190	F	62.5	Low	70.6	Confident	140 Å²	140	133.6 Å²	133.6	61%	0.614	64%	0.64	S	S	*	*			trans	-93.1	54.4	-176.8	-65.5	-74.6	0	0	0	112.8	Y186 D187 M195	Y186-F190 WeakPolarHBondContact O-CD2 3.38Å; Y186-F190 PolarHBondContact O-N 3.49Å; D187-F190 PolarHBondContact O-N 3.21Å; F190-M195 VanDerWaalsContact C-CE 3.42Å; F190-M195 HydrophobicContact CB-CE 3.42Å; F190-M195 VanDerWaalsContact CB-CE 3.42Å; F190-M195 HydrophobicContact CD1-CE 3.6Å; F190-M195 HydrophobicContact CG-CE 3.99Å; F190-M195 WeakPolarHBondContact O-CE 3.2Å
191	V	68.9	Low	69	Low	55 Å²	55	132.8 Å²	132.8	33%	0.333	66%	0.659	S	S	.	*			trans	-85.1	114.6	173	-174.4	0	0	0	0	108.7	L189 S193 K194 M195	L189-V191 VanDerWaalsContact C-N 3.34Å; L189-V191 PolarHBondContact O-N 2.98Å; V191-S193 VanDerWaalsContact CG1-OG 3.25Å; V191-S193 WeakPolarHBondContact CG1-OG 3.45Å; V191-S193 PolarHBondContact O-N 3.31Å; V191-S193 VanDerWaalsContact O-N 3.09Å; V191-K194 HydrophobicContact CB-CB 4.34Å; V191-K194 HydrophobicContact CB-CD 4.44Å; V191-K194 HydrophobicContact CB-CG 4.31Å; V191-K194 HydrophobicContact CG1-CG 4.5Å; V191-K194 CarbonylContact O-C 3.54Å; V191-K194 WeakPolarHBondContact O-CA 3.46Å; V191-K194 PolarHBondContact O-N 2.88Å; V191-M195 PolarHBondContact O-N 3.18Å
192	E	67.2	Low	67.3	Low	174 Å²	174	139.6 Å²	139.6	81%	0.813	67%	0.674	S	S	*	*	G	3₁₀ helix	trans	-53.3	-33	-176.7	-154.9	171.1	-157.2	0	0	112.8	K194 M195	E192-K194 VanDerWaalsContact C-N 3.29Å; E192-K194 PolarHBondContact O-N 3.45Å; E192-M195 PolarHBondContact O-N 3.45Å
193	S	69.9	Low	65.8	Low	108 Å²	108	142.7 Å²	142.7	76%	0.755	69%	0.694	S	S	*	*	G	3₁₀ helix	trans	-71.9	-16.8	175	66	0	0	0	0	115.2	V191	V191-S193 VanDerWaalsContact CG1-OG 3.25Å; V191-S193 WeakPolarHBondContact CG1-OG 3.45Å; V191-S193 PolarHBondContact O-N 3.31Å; V191-S193 VanDerWaalsContact O-N 3.09Å
194	K	66.2	Low	64.6	Low	164 Å²	164	138.3 Å²	138.3	71%	0.713	69%	0.686	S	S	*	*	G	3₁₀ helix	trans	-102.7	-9.6	173.6	-64.6	-173.1	-180	179.8	0	112.4	V191 E192 R196	V191-K194 HydrophobicContact CB-CB 4.34Å; V191-K194 HydrophobicContact CB-CD 4.44Å; V191-K194 HydrophobicContact CB-CG 4.31Å; V191-K194 HydrophobicContact CG1-CG 4.5Å; V191-K194 CarbonylContact O-C 3.54Å; V191-K194 WeakPolarHBondContact O-CA 3.46Å; V191-K194 PolarHBondContact O-N 2.88Å; E192-K194 VanDerWaalsContact C-N 3.29Å; E192-K194 PolarHBondContact O-N 3.45Å; K194-R196 PolarHBondContact O-N 2.93Å
195	M	66.2	Low	63.3	Low	100 Å²	100	136.7 Å²	136.7	49%	0.493	69%	0.692	S	S	.	*			trans	-74.4	121.3	170.1	-63.1	-166.4	-162.8	0	0	108	F190 V191 E192	F190-M195 VanDerWaalsContact C-CE 3.42Å; F190-M195 HydrophobicContact CB-CE 3.42Å; F190-M195 VanDerWaalsContact CB-CE 3.42Å; F190-M195 HydrophobicContact CD1-CE 3.6Å; F190-M195 HydrophobicContact CG-CE 3.99Å; F190-M195 WeakPolarHBondContact O-CE 3.2Å; V191-M195 PolarHBondContact O-N 3.18Å; E192-M195 PolarHBondContact O-N 3.45Å
196	R	67.8	Low	62.1	Low	229 Å²	229	141.7 Å²	141.7	86%	0.864	72%	0.716	S	S	*	*			trans	-111.6	130.4	166.9	-66.8	-176.3	178.3	-175.7	-1.6	106.3	K194 N198	K194-R196 PolarHBondContact O-N 2.93Å; R196-N198 PolarHBondContact O-N 3.46Å
197	T	68.2	Low	61.3	Low	112 Å²	112	143.6 Å²	143.6	69%	0.687	73%	0.728	S	S	*	*			trans	-61.4	126.8	167.1	45.1	0	0	0	0	107.7	E199	T197-E199 PolarHBondContact O-N 2.95Å
198	N	65.2	Low	60.2	Low	158 Å²	158	149.2 Å²	149.2	85%	0.845	75%	0.753	S	S	*	*			trans	-77.8	14	169.7	44.1	-42.6	0	0	0	112.2	R196 D200	R196-N198 PolarHBondContact O-N 3.46Å; N198-D200 PolarHBondContact O-N 3.27Å
199	E	56.9	Low	60	Low	168 Å²	168	147.6 Å²	147.6	79%	0.785	76%	0.756	S	S	*	*			trans	-78.9	61.4	168.2	-161.1	179.1	-179.4	0	0	109.3	T197	T197-E199 PolarHBondContact O-N 2.95Å
200	D	54.6	Low	59.9	Low	138 Å²	138	148.7 Å²	148.7	74%	0.738	76%	0.761	S	S	*	*			trans	-72.4	117.8	148.4	-67.3	-37.9	0	0	0	103.7	N198 Y202	N198-D200 PolarHBondContact O-N 3.27Å; D200-Y202 PolarHBondContact O-N 3.4Å
201	G	55.3	Low	59.7	Low	83 Å²	83	149.2 Å²	149.2	86%	0.856	77%	0.77	S	S	*	*	S	Bend	trans	-64.3	49.9	-174.4	0	0	0	0	0	115.1
202	Y	53	Low	59.2	Low	198 Å²	198	154.8 Å²	154.8	78%	0.776	80%	0.795	S	S	*	*			trans	-122.6	75.2	178.1	-114.5	-90	0	0	0	107.3	D200 S204	D200-Y202 PolarHBondContact O-N 3.4Å; Y202-S204 PolarHBondContact O-N 3.39Å
203	D	54.1	Low	58.7	Low	160 Å²	160	153.6 Å²	153.6	86%	0.856	79%	0.794	S	S	*	*			trans	-76.7	65.2	166.8	-145.6	15	0	0	0	107.5	D205	D203-D205 PolarHBondContact O-N 3.32Å; D203-D205 VanDerWaalsContact O-N 3.09Å
204	S	55.9	Low	58	Low	92 Å²	92	156.6 Å²	156.6	64%	0.643	80%	0.797	S	S	*	*			trans	-84.2	67.6	172	66.2	0	0	0	0	108.8	Y202 D206	Y202-S204 PolarHBondContact O-N 3.39Å; S204-D206 PolarHBondContact O-N 3.08Å
205	D	53.8	Low	57.4	Low	158 Å²	158	156.1 Å²	156.1	85%	0.845	80%	0.803	S	S	*	*			trans	-77.3	69.7	164.6	-145.6	19.9	0	0	0	107.3	D203	D203-D205 PolarHBondContact O-N 3.32Å; D203-D205 VanDerWaalsContact O-N 3.09Å
206	D	53.4	Low	56.7	Low	143 Å²	143	160.4 Å²	160.4	77%	0.765	83%	0.827	S	S	*	*			trans	-144.1	71.9	174.7	-158.4	28	0	0	0	109.4	S204	S204-D206 PolarHBondContact O-N 3.08Å
207	F	53.1	Low	55.8	Low	205 Å²	205	154.7 Å²	154.7	90%	0.899	82%	0.824	S	S	*	*			trans	-146.5	109.7	156.6	-153.6	-101	0	0	0	110.4
208	M	46	Very low	54.6	Low	241 Å²	241	158.5 Å²	158.5	100%	1.187	84%	0.836	S	S	*	*			trans	-56.7	0	161.5	-70.1	-170.9	-172.4	0	0	112.5

Retrieved 208 of 208 residues in 79.1 ms (Link to these results)

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