A0A087XFI2_POEFO Loading...

PRELI domain containing 3

AlphaFold DB , UniProt , Accession A0A087XFI2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 193 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	61.8	Low	85	Confident	150 Å²	150	78.8 Å²	78.8	74%	0.739	40%	0.397	S	S	*	.				0	118.1	0	-177.1	177.2	80.9	0	0	107.4	I129 I130 E142	M1-I129 HydrophobicContact CG-CG2 4.06Å; M1-I129 HydrophobicContact SD-CG2 4.27Å; M1-I130 VanDerWaalsContact CA-O 3.31Å; M1-I130 WeakPolarHBondContact CA-O 3.44Å; M1-E142 PolarHBondContact N-OE1 3.26Å
2	K	70.7	Confident	85.6	Confident	92 Å²	92	75 Å²	75	40%	0.4	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	129	-179.1	-163.1	169.6	179.9	178.9	0	109.1	I130 A146	K2-I130 PolarHBondContact N-O 2.84Å; K2-I130 PolarHBondContact O-N 3.09Å; K2-A146 HydrophobicContact CD-CB 4.01Å
3	I	80.4	Confident	86.3	Confident	107 Å²	107	71.4 Å²	71.4	55%	0.549	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	127.8	176	-55.3	173.2	0	0	0	106.7	T5 A128	I3-T5 HydrophobicContact CG2-CG2 4.08Å; I3-A128 WeakPolarHBondContact CA-O 3.39Å
4	W	81.9	Confident	86.9	Confident	48 Å²	48	67.4 Å²	67.4	18%	0.182	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	130	171.9	179.1	86.5	0	0	0	108.1	S6 Q126 E127 A128 I149 A153	W4-S6 VanDerWaalsContact CZ2-CB 3.43Å; W4-Q126 HydrophobicContact CZ3-CB 3.93Å; W4-E127 CarbonylContact O-C 3.53Å; W4-E127 WeakPolarHBondContact O-CA 3.33Å; W4-A128 HydrophobicContact CB-CB 4.43Å; W4-A128 HydrophobicContact CE3-CB 4.19Å; W4-A128 PolarHBondContact N-O 2.67Å; W4-A128 PolarHBondContact O-N 2.88Å; W4-I149 HydrophobicContact CD2-CG2 4.29Å; W4-I149 HydrophobicContact CE3-CG2 3.98Å; W4-I149 HydrophobicContact CZ3-CG2 4.28Å; W4-A153 HydrophobicContact CH2-CB 3.44Å; W4-A153 VanDerWaalsContact CH2-CB 3.44Å; W4-A153 HydrophobicContact CZ2-CB 4.14Å; W4-A153 HydrophobicContact CZ3-CB 4.2Å
5	T	86.8	Confident	87.3	Confident	88 Å²	88	69 Å²	69	54%	0.54	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	144.1	176.4	57.4	0	0	0	0	109.4	I3 Q126 E127	I3-T5 HydrophobicContact CG2-CG2 4.08Å; T5-Q126 CarbonylContact C-O 3.49Å; T5-Q126 VanDerWaalsContact CA-O 3.27Å; T5-Q126 WeakPolarHBondContact CA-O 3.38Å; T5-E127 HydrophobicContact CG2-CB 4.42Å; T5-E127 HydrophobicContact CG2-CG 4.06Å
6	S	89.1	Confident	87.6	Confident	30 Å²	30	67.3 Å²	67.3	21%	0.21	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	140.6	175.2	-166.5	0	0	0	0	110.7	W4 Q126 R157	W4-S6 VanDerWaalsContact CZ2-CB 3.43Å; S6-Q126 PolarHBondContact N-O 2.81Å; S6-Q126 PolarHBondContact O-N 2.84Å; S6-R157 PolarHBondContact OG-NH2 3.04Å
7	E	92.1	Very high	87.9	Confident	123 Å²	123	63.4 Å²	63.4	58%	0.575	32%	0.317	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.4	143.5	173.2	-169.6	172.9	83.5	0	0	109.6	I123 L124	E7-I123 HydrophobicContact CG-CG2 3.89Å; E7-L124 CarbonylContact C-O 3.55Å; E7-L124 WeakPolarHBondContact CA-O 3.47Å
8	H	92.3	Very high	88.2	Confident	52 Å²	52	60.4 Å²	60.4	24%	0.241	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	142.7	174.9	-174.2	65.4	0	0	0	110.4	F10 L124	H8-F10 AromaticContact CD2-CD1 3.99Å; H8-F10 AromaticContact CD2-CE1 3.74Å; H8-F10 AromaticContact CD2-CE2 3.83Å; H8-F10 AromaticContact CD2-CZ 3.67Å; H8-F10 AromaticContact NE2-CD1 3.98Å; H8-F10 AromaticContact NE2-CE1 3.86Å; H8-L124 PolarHBondContact N-O 2.85Å; H8-L124 PolarHBondContact O-N 2.79Å
9	I	93.8	Very high	88.5	Confident	65 Å²	65	62 Å²	62	33%	0.333	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	118.9	177.9	-58.7	172.3	0	0	0	108	K121 T122 I123	I9-K121 HydrophobicContact CG2-CB 4.1Å; I9-K121 HydrophobicContact CG2-CD 4.09Å; I9-T122 WeakPolarHBondContact CA-O 3.33Å; I9-I123 HydrophobicContact CG1-CG1 4.46Å
10	F	92.1	Very high	88.7	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	131.7	168.1	-67.7	-77.2	0	0	0	109.3	H8 H12 V17 Y112 K121 T122 L124 R157 M160	H8-F10 AromaticContact CD2-CD1 3.99Å; H8-F10 AromaticContact CD2-CE1 3.74Å; H8-F10 AromaticContact CD2-CE2 3.83Å; H8-F10 AromaticContact CD2-CZ 3.67Å; H8-F10 AromaticContact NE2-CD1 3.98Å; H8-F10 AromaticContact NE2-CE1 3.86Å; F10-H12 PolarHBondContact O-N 2.72Å; F10-V17 HydrophobicContact CB-CG2 3.99Å; F10-V17 HydrophobicContact CD2-CG1 4.19Å; F10-V17 HydrophobicContact CG-CG2 4.39Å; F10-Y112 HydrophobicContact CE2-CE1 4.07Å; F10-K121 WeakPolarHBondContact O-CA 3.07Å; F10-T122 PolarHBondContact N-O 2.94Å; F10-T122 PolarHBondContact O-N 2.9Å; F10-L124 HydrophobicContact CD2-CB 4.13Å; F10-L124 HydrophobicContact CE2-CB 3.72Å; F10-L124 HydrophobicContact CE2-CD2 3.61Å; F10-L124 HydrophobicContact CE2-CG 4.29Å; F10-L124 HydrophobicContact CZ-CD2 4.07Å; F10-R157 HydrophobicContact CZ-CG 4.4Å; F10-M160 HydrophobicContact CE1-CB 3.84Å; F10-M160 HydrophobicContact CZ-CB 4.01Å; F10-M160 HydrophobicContact CZ-CG 4.25Å
11	N	93.6	Very high	88.8	Confident	112 Å²	112	56.3 Å²	56.3	60%	0.599	28%	0.28	S	S	*	.	S	Bend	trans	-82.8	46.5	175.1	-65.3	-48.2	0	0	0	111.6	K121	N11-K121 VanDerWaalsContact OD1-CE 3.24Å; N11-K121 WeakPolarHBondContact OD1-CE 3.27Å
12	H	92.8	Very high	90.2	Very high	33 Å²	33	51.8 Å²	51.8	15%	0.153	26%	0.258	C	S	.	.	S	Bend	trans	-142.7	148	-178.6	-58.6	-78	0	0	0	109.7	F10 M16 V17 E120 K121 T122 E161 I164	F10-H12 PolarHBondContact O-N 2.72Å; H12-M16 HydrophobicContact CB-SD 4.33Å; H12-V17 HydrophobicContact CB-CG2 3.83Å; H12-E120 CarbonylContact C-O 3.59Å; H12-E120 WeakPolarHBondContact CA-O 3.47Å; H12-E120 PolarHBondContact N-O 3.34Å; H12-K121 CarbonylContact O-C 3.25Å; H12-T122 PolarHBondContact O-N 3.39Å; H12-T122 PolarHBondContact O-OG1 3.34Å; H12-E161 IonicContact CD2-OE1 2.81Å; H12-E161 IonicContact CD2-OE2 3.74Å; H12-E161 IonicContact CE1-OE2 3.9Å; H12-E161 IonicContact NE2-OE1 2.87Å; H12-E161 PolarHBondContact NE2-OE1 2.82Å; H12-E161 IonicContact NE2-OE2 2.7Å; H12-E161 PolarHBondContact NE2-OE2 3.36Å; H12-I164 HydrophobicContact CB-CD1 4.39Å
13	P	94.3	Very high	91	Very high	28 Å²	28	50.7 Å²	50.7	18%	0.182	26%	0.255	C	S	.	.			trans	-65.8	152	-179.2	26.3	-34.5	0	0	0	111.3	E15 M16 V17	P13-E15 PolarHBondContact O-N 3.13Å; P13-M16 HydrophobicContact CG-CB 3.98Å; P13-M16 HydrophobicContact CG-CE 4.5Å; P13-M16 WeakPolarHBondContact O-CB 3.39Å; P13-M16 PolarHBondContact O-N 3.36Å; P13-V17 PolarHBondContact O-N 3.46Å
14	W	94.9	Very high	91.4	Very high	15 Å²	15	47.4 Å²	47.4	6%	0.057	24%	0.236	C	C	.	.	H	α-helix	trans	-57.5	-36.6	-172.7	174	86.9	0	0	0	113.3	M16 V17 T18 V84 K89 F91 Y112 P114 T122	W14-M16 VanDerWaalsContact C-N 3.31Å; W14-M16 PolarHBondContact O-N 2.96Å; W14-V17 PolarHBondContact O-N 3.06Å; W14-T18 HydrophobicContact CZ2-CG2 4.37Å; W14-T18 PolarHBondContact NE1-OG1 3.48Å; W14-T18 VanDerWaalsContact O-CB 3.27Å; W14-T18 WeakPolarHBondContact O-CB 3.44Å; W14-T18 PolarHBondContact O-N 3.38Å; W14-T18 PolarHBondContact O-OG1 3.45Å; W14-V84 HydrophobicContact CH2-CG1 3.82Å; W14-V84 HydrophobicContact CZ2-CG1 4.04Å; W14-K89 HydrophobicContact CD2-CB 4Å; W14-K89 VanDerWaalsContact CE2-C 3.44Å; W14-K89 HydrophobicContact CE3-CB 4.03Å; W14-K89 HydrophobicContact CE3-CD 4.45Å; W14-K89 HydrophobicContact CE3-CG 4.21Å; W14-K89 HydrophobicContact CG-CB 4.44Å; W14-K89 HydrophobicContact CZ3-CB 4.35Å; W14-K89 HydrophobicContact CZ3-CG 4.39Å; W14-K89 PolarHBondContact NE1-O 2.88Å; W14-F91 HydrophobicContact CZ2-CB 4.04Å; W14-Y112 PolarHBondContact NE1-O 3.05Å; W14-P114 HydrophobicContact CB-CG 3.94Å; W14-P114 HydrophobicContact CG-CG 4.19Å; W14-T122 WeakPolarHBondContact CA-OG1 3.43Å; W14-T122 PolarHBondContact N-OG1 3.24Å; W14-T122 VanDerWaalsContact N-OG1 3.16Å
15	E	92.9	Very high	91.7	Very high	92 Å²	92	47.7 Å²	47.7	43%	0.43	24%	0.238	S	C	.	.	H	α-helix	trans	-62.4	-41.4	178.9	-64.3	77.7	-174.6	0	0	111	P13 K19 K89	P13-E15 PolarHBondContact O-N 3.13Å; E15-K19 WeakPolarHBondContact O-CB 3.22Å; E15-K19 PolarHBondContact O-N 2.88Å; E15-K89 WeakPolarHBondContact OE1-CE 3.45Å; E15-K89 IonicContact OE1-NZ 2.62Å; E15-K89 PolarHBondContact OE1-NZ 3.48Å
16	M	91.8	Very high	91.6	Very high	42 Å²	42	48.5 Å²	48.5	21%	0.207	24%	0.244	C	C	.	.	H	α-helix	trans	-70.8	-44	179.1	-173.4	174.8	-68.2	0	0	111.2	H12 P13 W14 K19 A20 I164 N168	H12-M16 HydrophobicContact CB-SD 4.33Å; P13-M16 HydrophobicContact CG-CB 3.98Å; P13-M16 HydrophobicContact CG-CE 4.5Å; P13-M16 WeakPolarHBondContact O-CB 3.39Å; P13-M16 PolarHBondContact O-N 3.36Å; W14-M16 VanDerWaalsContact C-N 3.31Å; W14-M16 PolarHBondContact O-N 2.96Å; M16-K19 PolarHBondContact O-N 3.28Å; M16-A20 WeakPolarHBondContact O-CB 3.44Å; M16-A20 PolarHBondContact O-N 2.82Å; M16-I164 HydrophobicContact CG-CG2 4.01Å; M16-I164 HydrophobicContact SD-CG2 3.6Å; M16-I164 VanDerWaalsContact SD-CG2 3.6Å; M16-N168 WeakPolarHBondContact CE-OD1 3.27Å; M16-N168 PolarHBondContact SD-OD1 3.38Å
17	V	93.9	Very high	91.5	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-63.3	-43.2	176.6	177.4	0	0	0	0	110.7	F10 H12 P13 W14 K19 A20 A21 Y112 T122 M160 I164	F10-V17 HydrophobicContact CB-CG2 3.99Å; F10-V17 HydrophobicContact CD2-CG1 4.19Å; F10-V17 HydrophobicContact CG-CG2 4.39Å; H12-V17 HydrophobicContact CB-CG2 3.83Å; P13-V17 PolarHBondContact O-N 3.46Å; W14-V17 PolarHBondContact O-N 3.06Å; V17-K19 PolarHBondContact O-N 2.96Å; V17-A20 PolarHBondContact O-N 3.3Å; V17-A21 WeakPolarHBondContact O-CB 3.28Å; V17-A21 PolarHBondContact O-N 2.97Å; V17-Y112 HydrophobicContact CG1-CD1 3.63Å; V17-Y112 HydrophobicContact CG1-CE1 3.88Å; V17-T122 HydrophobicContact CB-CG2 4.23Å; V17-T122 HydrophobicContact CG1-CG2 4.1Å; V17-T122 HydrophobicContact CG2-CG2 4.36Å; V17-M160 HydrophobicContact CG1-CE 3.83Å; V17-M160 WeakPolarHBondContact O-CE 3.35Å; V17-I164 HydrophobicContact CG2-CD1 4.24Å
18	T	93.4	Very high	91	Very high	11 Å²	11	45.4 Å²	45.4	7%	0.067	23%	0.234	C	C	.	.	H	α-helix	trans	-63.8	-44	178.1	-59.6	0	0	0	0	111.3	W14 A20 A21 M22 V84 F91	W14-T18 HydrophobicContact CZ2-CG2 4.37Å; W14-T18 PolarHBondContact NE1-OG1 3.48Å; W14-T18 VanDerWaalsContact O-CB 3.27Å; W14-T18 WeakPolarHBondContact O-CB 3.44Å; W14-T18 PolarHBondContact O-N 3.38Å; W14-T18 PolarHBondContact O-OG1 3.45Å; T18-A20 PolarHBondContact O-N 3.35Å; T18-A21 PolarHBondContact O-N 3.02Å; T18-M22 PolarHBondContact O-N 2.88Å; T18-V84 HydrophobicContact CG2-CG1 4.11Å; T18-V84 HydrophobicContact CG2-CG2 4.39Å; T18-F91 HydrophobicContact CG2-CB 4.24Å; T18-F91 HydrophobicContact CG2-CD1 4.35Å; T18-F91 HydrophobicContact CG2-CD2 4.38Å; T18-F91 HydrophobicContact CG2-CG 4.09Å
19	K	92.4	Very high	90.6	Very high	90 Å²	90	46.2 Å²	46.2	39%	0.391	24%	0.238	S	C	.	.	H	α-helix	trans	-60.7	-45	175	-172.2	-178.9	179.2	-171.2	0	111.5	E15 M16 V17 A21 M22 Q23 L167	E15-K19 WeakPolarHBondContact O-CB 3.22Å; E15-K19 PolarHBondContact O-N 2.88Å; M16-K19 PolarHBondContact O-N 3.28Å; V17-K19 PolarHBondContact O-N 2.96Å; K19-A21 VanDerWaalsContact C-N 3.35Å; K19-A21 PolarHBondContact O-N 2.91Å; K19-M22 PolarHBondContact O-N 3.39Å; K19-Q23 PolarHBondContact O-N 2.9Å; K19-L167 HydrophobicContact CB-CD1 4.34Å; K19-L167 HydrophobicContact CD-CD1 4.15Å; K19-L167 HydrophobicContact CD-CD2 4.25Å; K19-L167 HydrophobicContact CG-CD1 3.98Å
20	A	92.7	Very high	90	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-63	-40.1	176.7	0	0	0	0	0	112.1	M16 V17 T18 M22 Q23 K24 M160 V163 I164 L167	M16-A20 WeakPolarHBondContact O-CB 3.44Å; M16-A20 PolarHBondContact O-N 2.82Å; V17-A20 PolarHBondContact O-N 3.3Å; T18-A20 PolarHBondContact O-N 3.35Å; A20-M22 VanDerWaalsContact C-N 3.33Å; A20-M22 PolarHBondContact O-N 3.46Å; A20-Q23 CarbonylContact O-C 3.55Å; A20-Q23 VanDerWaalsContact O-C 3.25Å; A20-Q23 PolarHBondContact O-N 3.35Å; A20-Q23 VanDerWaalsContact O-N 3.1Å; A20-K24 WeakPolarHBondContact O-CA 3.32Å; A20-K24 PolarHBondContact O-N 3.32Å; A20-M160 HydrophobicContact CB-CE 3.76Å; A20-M160 HydrophobicContact CB-SD 4.44Å; A20-V163 HydrophobicContact CB-CB 4.28Å; A20-V163 HydrophobicContact CB-CG1 3.83Å; A20-I164 HydrophobicContact CB-CD1 4.33Å; A20-I164 HydrophobicContact CB-CG1 3.46Å; A20-I164 VanDerWaalsContact CB-CG1 3.46Å; A20-L167 HydrophobicContact CB-CD1 3.96Å
21	A	91.6	Very high	89.4	Confident	4 Å²	4	49 Å²	49	3%	0.033	26%	0.259	C	S	.	.	H	α-helix	trans	-65.5	-36.1	178.8	0	0	0	0	0	112.3	V17 T18 K19 Q23 K24 F91 M160	V17-A21 WeakPolarHBondContact O-CB 3.28Å; V17-A21 PolarHBondContact O-N 2.97Å; T18-A21 PolarHBondContact O-N 3.02Å; K19-A21 VanDerWaalsContact C-N 3.35Å; K19-A21 PolarHBondContact O-N 2.91Å; A21-Q23 VanDerWaalsContact C-N 3.29Å; A21-Q23 PolarHBondContact O-N 2.97Å; A21-K24 WeakPolarHBondContact O-CB 3.39Å; A21-K24 PolarHBondContact O-N 2.95Å; A21-F91 HydrophobicContact CB-CD1 4.32Å; A21-F91 HydrophobicContact CB-CE1 3.56Å; A21-F91 HydrophobicContact CB-CZ 4.32Å; A21-M160 HydrophobicContact CB-CE 3.86Å; A21-M160 HydrophobicContact CB-SD 4.04Å
22	M	90.1	Very high	88.9	Confident	55 Å²	55	46.3 Å²	46.3	27%	0.271	25%	0.25	S	C	.	.	H	α-helix	trans	-66	-32.7	173	-71.2	-164.7	176.7	0	0	112.8	T18 K19 A20 L49 R53 V84	T18-M22 PolarHBondContact O-N 2.88Å; K19-M22 PolarHBondContact O-N 3.39Å; A20-M22 VanDerWaalsContact C-N 3.33Å; A20-M22 PolarHBondContact O-N 3.46Å; M22-L49 HydrophobicContact CE-CD2 3.85Å; M22-R53 PolarHBondContact O-NH1 3.47Å; M22-V84 HydrophobicContact CE-CG2 3.35Å
23	Q	88.4	Confident	88.5	Confident	70 Å²	70	45.8 Å²	45.8	33%	0.327	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.7	20.3	-179	-58.6	-174.5	11.2	0	0	113.2	K19 A20 A21 Y25 V163	K19-Q23 PolarHBondContact O-N 2.9Å; A20-Q23 CarbonylContact O-C 3.55Å; A20-Q23 VanDerWaalsContact O-C 3.25Å; A20-Q23 PolarHBondContact O-N 3.35Å; A20-Q23 VanDerWaalsContact O-N 3.1Å; A21-Q23 VanDerWaalsContact C-N 3.29Å; A21-Q23 PolarHBondContact O-N 2.97Å; Q23-Y25 PolarHBondContact O-N 3.42Å; Q23-Y25 VanDerWaalsContact O-N 3.09Å; Q23-V163 HydrophobicContact CB-CG1 4.3Å
24	K	88.7	Confident	88.1	Confident	37 Å²	37	50.5 Å²	50.5	16%	0.161	27%	0.266	C	S	.	.			trans	-56.4	-31.9	-173.6	-178.2	176.6	175.3	-175.3	0	112.5	A20 A21 N27 M160	A20-K24 WeakPolarHBondContact O-CA 3.32Å; A20-K24 PolarHBondContact O-N 3.32Å; A21-K24 WeakPolarHBondContact O-CB 3.39Å; A21-K24 PolarHBondContact O-N 2.95Å; K24-N27 WeakPolarHBondContact O-CB 3.44Å; K24-N27 PolarHBondContact O-ND2 3.28Å; K24-M160 HydrophobicContact CB-SD 4.48Å; K24-M160 HydrophobicContact CD-SD 4.3Å; K24-M160 HydrophobicContact CG-SD 4.37Å
25	Y	87.3	Confident	87.8	Confident	55 Å²	55	50.7 Å²	50.7	22%	0.216	27%	0.273	C	S	.	.			trans	-115.6	144.6	-179.1	-58.4	-73.3	0	0	0	111.3	Q23 N27 N30 V33 V36 L55	Q23-Y25 PolarHBondContact O-N 3.42Å; Q23-Y25 VanDerWaalsContact O-N 3.09Å; Y25-N27 WeakPolarHBondContact CD1-ND2 3.48Å; Y25-N27 VanDerWaalsContact CE1-ND2 3.32Å; Y25-N27 WeakPolarHBondContact CE1-ND2 3.48Å; Y25-N30 HydrophobicContact CE1-CB 3.94Å; Y25-V33 HydrophobicContact CD1-CB 3.8Å; Y25-V33 HydrophobicContact CD1-CG1 3.83Å; Y25-V33 HydrophobicContact CD1-CG2 4.14Å; Y25-V33 HydrophobicContact CD2-CG1 4.36Å; Y25-V33 HydrophobicContact CE1-CB 3.81Å; Y25-V33 HydrophobicContact CE1-CG1 4.03Å; Y25-V33 HydrophobicContact CE1-CG2 3.6Å; Y25-V33 HydrophobicContact CG-CB 4.49Å; Y25-V33 HydrophobicContact CG-CG1 4.02Å; Y25-V36 HydrophobicContact CD2-CG2 3.96Å; Y25-V36 HydrophobicContact CG-CG2 4.07Å; Y25-L55 HydrophobicContact CD2-CD2 4.26Å; Y25-L55 HydrophobicContact CE2-CD2 3.71Å
26	P	86.5	Confident	87.8	Confident	104 Å²	104	48.7 Å²	48.7	68%	0.675	27%	0.267	S	S	*	.	S	Bend	cis	-75.6	151	-3.5	31.3	-35.1	0	0	0	112.9
27	N	85.5	Confident	87.9	Confident	11 Å²	11	51.1 Å²	51.1	6%	0.059	28%	0.28	C	S	.	.			trans	-142.5	151.4	173.2	66	83.1	0	0	0	111.3	K24 Y25 M29 N30 A159 W162	K24-N27 WeakPolarHBondContact O-CB 3.44Å; K24-N27 PolarHBondContact O-ND2 3.28Å; Y25-N27 WeakPolarHBondContact CD1-ND2 3.48Å; Y25-N27 VanDerWaalsContact CE1-ND2 3.32Å; Y25-N27 WeakPolarHBondContact CE1-ND2 3.48Å; N27-M29 VanDerWaalsContact C-N 3.26Å; N27-M29 PolarHBondContact O-N 3.06Å; N27-M29 PolarHBondContact OD1-N 3.23Å; N27-N30 PolarHBondContact O-N 3.04Å; N27-N30 WeakPolarHBondContact OD1-CB 3.49Å; N27-N30 PolarHBondContact OD1-N 3.46Å; N27-N30 PolarHBondContact OD1-ND2 3.43Å; N27-N30 VanDerWaalsContact OD1-ND2 3.08Å; N27-A159 HydrophobicContact CB-CB 4.14Å; N27-A159 WeakPolarHBondContact OD1-CB 3.25Å; N27-W162 HydrophobicContact CB-CE3 4.25Å; N27-W162 HydrophobicContact CB-CZ3 4.43Å
28	P	81.2	Confident	87.9	Confident	78 Å²	78	54.6 Å²	54.6	51%	0.506	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-21.6	-177.3	26.2	-35	0	0	0	114.2	W162	P28-W162 HydrophobicContact CG-CD2 4.21Å; P28-W162 HydrophobicContact CG-CG 4.38Å
29	M	84.1	Confident	88	Confident	69 Å²	69	59.2 Å²	59.2	34%	0.34	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-24.4	-177	-54.9	-54.8	-176.4	0	0	112.8	N27 P31 E158 A159	N27-M29 VanDerWaalsContact C-N 3.26Å; N27-M29 PolarHBondContact O-N 3.06Å; N27-M29 PolarHBondContact OD1-N 3.23Å; M29-P31 VanDerWaalsContact C-CD 3.45Å; M29-P31 WeakPolarHBondContact O-CD 3.37Å; M29-E158 HydrophobicContact CE-CB 4.2Å; M29-E158 HydrophobicContact CG-CB 4.01Å; M29-E158 HydrophobicContact SD-CB 4.47Å; M29-A159 HydrophobicContact CB-CB 4.23Å; M29-A159 HydrophobicContact CG-CB 4.43Å
30	N	81.3	Confident	88.2	Confident	22 Å²	22	58 Å²	58	12%	0.118	32%	0.323	C	S	.	.			trans	-127.3	66	-178.7	-61.4	-72.5	0	0	0	111.1	Y25 N27 S32 V33	Y25-N30 HydrophobicContact CE1-CB 3.94Å; N27-N30 PolarHBondContact O-N 3.04Å; N27-N30 WeakPolarHBondContact OD1-CB 3.49Å; N27-N30 PolarHBondContact OD1-N 3.46Å; N27-N30 PolarHBondContact OD1-ND2 3.43Å; N27-N30 VanDerWaalsContact OD1-ND2 3.08Å; N30-S32 PolarHBondContact O-N 3.45Å; N30-V33 HydrophobicContact CB-CG2 4.36Å; N30-V33 PolarHBondContact O-N 3.11Å
31	P	80.4	Confident	88.4	Confident	101 Å²	101	63.8 Å²	63.8	66%	0.656	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-19.3	-179.3	29.5	-36.1	0	0	0	112.8	M29 V33	M29-P31 VanDerWaalsContact C-CD 3.45Å; M29-P31 WeakPolarHBondContact O-CD 3.37Å; P31-V33 PolarHBondContact O-N 3.4Å
32	S	81.9	Confident	88.6	Confident	56 Å²	56	66.9 Å²	66.9	39%	0.392	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-21	176.8	-60.3	0	0	0	0	113.6	N30 F34 T57 E58	N30-S32 PolarHBondContact O-N 3.45Å; S32-F34 PolarHBondContact O-N 2.94Å; S32-T57 CarbonylContact O-C 3.5Å; S32-T57 VanDerWaalsContact O-CA 3.27Å; S32-T57 WeakPolarHBondContact O-CA 3.18Å; S32-E58 WeakPolarHBondContact CB-O 3.45Å; S32-E58 PolarHBondContact O-N 3.02Å
33	V	84.8	Confident	88.9	Confident	21 Å²	21	70.2 Å²	70.2	13%	0.127	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	101.3	176.1	-173.2	0	0	0	0	108	Y25 N30 P31 V36 L55 T57	Y25-V33 HydrophobicContact CD1-CB 3.8Å; Y25-V33 HydrophobicContact CD1-CG1 3.83Å; Y25-V33 HydrophobicContact CD1-CG2 4.14Å; Y25-V33 HydrophobicContact CD2-CG1 4.36Å; Y25-V33 HydrophobicContact CE1-CB 3.81Å; Y25-V33 HydrophobicContact CE1-CG1 4.03Å; Y25-V33 HydrophobicContact CE1-CG2 3.6Å; Y25-V33 HydrophobicContact CG-CB 4.49Å; Y25-V33 HydrophobicContact CG-CG1 4.02Å; N30-V33 HydrophobicContact CB-CG2 4.36Å; N30-V33 PolarHBondContact O-N 3.11Å; P31-V33 PolarHBondContact O-N 3.4Å; V33-V36 HydrophobicContact CG1-CG2 3.94Å; V33-L55 HydrophobicContact CG1-CD2 4.44Å; V33-T57 HydrophobicContact CB-CG2 4.31Å; V33-T57 HydrophobicContact CG1-CG2 4.24Å; V33-T57 HydrophobicContact CG2-CG2 3.79Å
34	F	86.3	Confident	89.2	Confident	128 Å²	128	68.2 Å²	68.2	56%	0.561	37%	0.37	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.6	-16.2	-174.6	65	-96.1	0	0	0	113.4	S32 S56 E58	S32-F34 PolarHBondContact O-N 2.94Å; F34-S56 PolarHBondContact N-O 3.25Å; F34-E58 HydrophobicContact CD1-CB 4.14Å; F34-E58 HydrophobicContact CE1-CB 4.02Å
35	G	88.4	Confident	89.4	Confident	18 Å²	18	75.6 Å²	75.6	19%	0.186	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	138	179.2	0	0	0	0	0	112.3	S56	G35-S56 PolarHBondContact N-O 3.5Å; G35-S56 PolarHBondContact O-N 2.91Å
36	V	92.6	Very high	89.6	Confident	51 Å²	51	77.6 Å²	77.6	31%	0.309	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	112.8	172.7	-176.8	0	0	0	0	108.5	Y25 V33 L54 L55	Y25-V36 HydrophobicContact CD2-CG2 3.96Å; Y25-V36 HydrophobicContact CG-CG2 4.07Å; V33-V36 HydrophobicContact CG1-CG2 3.94Å; V36-L54 WeakPolarHBondContact CA-O 2.91Å; V36-L55 HydrophobicContact CG1-CG 4.38Å; V36-L55 HydrophobicContact CG2-CG 4.16Å
37	D	94.4	Very high	89.9	Confident	92 Å²	92	74.2 Å²	74.2	49%	0.492	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	135.9	179.8	-64.1	-52.9	0	0	0	110.2	R53 L54	D37-R53 CarbonylContact O-C 3.59Å; D37-R53 WeakPolarHBondContact O-CA 3.35Å; D37-L54 PolarHBondContact N-O 3.22Å; D37-L54 PolarHBondContact O-N 3.08Å
38	V	94.9	Very high	90.4	Very high	74 Å²	74	77.6 Å²	77.6	45%	0.448	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	110	171.5	-175.7	0	0	0	0	107.6	R41 R53	V38-R41 HydrophobicContact CG1-CB 4.14Å; V38-R53 HydrophobicContact CG2-CG 4.17Å
39	L	95.3	Very high	91	Very high	107 Å²	107	75.9 Å²	75.9	56%	0.56	40%	0.399	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.3	-40.2	-177.9	-60.3	-176.3	0	0	0	112.1	K52 L54	L39-K52 HydrophobicContact CB-CB 4.45Å; L39-K52 PolarHBondContact N-O 3.39Å; L39-L54 HydrophobicContact CD1-CB 4Å; L39-L54 HydrophobicContact CD2-CB 4.05Å; L39-L54 HydrophobicContact CG-CB 4Å
40	D	95.9	Very high	91.6	Very high	66 Å²	66	74.9 Å²	74.9	35%	0.353	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	145.4	179.9	-177.5	36.1	0	0	0	109.6	N42 S51 K52	D40-N42 PolarHBondContact OD2-ND2 3.3Å; D40-N42 VanDerWaalsContact OD2-ND2 3.08Å; D40-S51 WeakPolarHBondContact O-CA 3.41Å; D40-K52 HydrophobicContact CB-CB 4.27Å; D40-K52 HydrophobicContact CB-CD 4.38Å; D40-K52 PolarHBondContact N-O 3.41Å; D40-K52 PolarHBondContact O-N 2.99Å
41	R	96.3	Very high	92.3	Very high	120 Å²	120	74 Å²	74	45%	0.453	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	118.1	174.7	179.4	168.7	-74.5	167.9	-0.8	109.1	V38 L49 H50 S51	V38-R41 HydrophobicContact CG1-CB 4.14Å; R41-L49 HydrophobicContact CG-CD1 3.66Å; R41-H50 VanDerWaalsContact CA-O 3.31Å; R41-H50 WeakPolarHBondContact CA-O 3.37Å; R41-S51 PolarHBondContact NE-OG 3.09Å; R41-S51 PolarHBondContact NH2-OG 3.5Å
42	N	96.5	Very high	93.1	Very high	70 Å²	70	74.1 Å²	74.1	37%	0.374	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	159.8	-179	65.8	54.7	0	0	0	110.8	D40 H50	D40-N42 PolarHBondContact OD2-ND2 3.3Å; D40-N42 VanDerWaalsContact OD2-ND2 3.08Å; N42-H50 PolarHBondContact N-O 2.84Å; N42-H50 PolarHBondContact O-N 3.48Å; N42-H50 WeakPolarHBondContact OD1-CB 3.31Å
43	I	96.6	Very high	93.7	Very high	125 Å²	125	72 Å²	72	64%	0.641	36%	0.363	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.7	127.9	173.8	-59.9	173.2	0	0	0	106.3	R48 L49	I43-R48 WeakPolarHBondContact CA-O 3.39Å; I43-L49 HydrophobicContact CG1-CD1 3.96Å
44	D	93.8	Very high	94.1	Very high	28 Å²	28	72.8 Å²	72.8	15%	0.15	37%	0.366	C	S	.	.			trans	-78.6	173.1	177.5	71.1	15.8	0	0	0	112.5	Q46 G47 R48 H50	D44-Q46 VanDerWaalsContact CG-OE1 3.26Å; D44-Q46 PolarHBondContact O-N 2.89Å; D44-Q46 VanDerWaalsContact O-N 3.14Å; D44-Q46 WeakPolarHBondContact OD1-CA 3.4Å; D44-Q46 WeakPolarHBondContact OD1-CB 3.35Å; D44-Q46 PolarHBondContact OD1-N 3.1Å; D44-Q46 PolarHBondContact OD1-OE1 3.22Å; D44-Q46 PolarHBondContact OD2-OE1 2.96Å; D44-G47 PolarHBondContact O-N 3.46Å; D44-G47 PolarHBondContact OD1-N 3.27Å; D44-R48 PolarHBondContact N-O 3.44Å; D44-R48 PolarHBondContact OD1-N 3.48Å; D44-R48 IonicContact OD1-NE 3.77Å; D44-R48 WeakPolarHBondContact OD2-CB 3.33Å; D44-R48 IonicContact OD2-CZ 2.68Å; D44-R48 IonicContact OD2-NE 3.86Å; D44-R48 PolarHBondContact OD2-NE 3.36Å; D44-R48 IonicContact OD2-NH2 3.17Å; D44-R48 PolarHBondContact OD2-NH2 3.49Å; D44-H50 IonicContact OD2-CD2 3.53Å; D44-H50 IonicContact OD2-CE1 3.38Å; D44-H50 IonicContact OD2-NE2 2.66Å; D44-H50 PolarHBondContact OD2-NE2 3.29Å
45	Q	93.3	Very high	94.4	Very high	191 Å²	191	67 Å²	67	89%	0.893	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-22.2	179.7	-66	-179.4	-14.6	0	0	113	G47	Q45-G47 VanDerWaalsContact C-N 3.34Å
46	Q	91.9	Very high	94.5	Very high	98 Å²	98	66.8 Å²	66.8	46%	0.458	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-11.9	178.9	-64.5	74.7	23.6	0	0	112.3	D44 R48 K87	D44-Q46 VanDerWaalsContact CG-OE1 3.26Å; D44-Q46 PolarHBondContact O-N 2.89Å; D44-Q46 VanDerWaalsContact O-N 3.14Å; D44-Q46 WeakPolarHBondContact OD1-CA 3.4Å; D44-Q46 WeakPolarHBondContact OD1-CB 3.35Å; D44-Q46 PolarHBondContact OD1-N 3.1Å; D44-Q46 PolarHBondContact OD1-OE1 3.22Å; D44-Q46 PolarHBondContact OD2-OE1 2.96Å; Q46-R48 HydrophobicContact CB-CG 4.38Å; Q46-K87 PolarHBondContact O-NZ 3.07Å
47	G	92.8	Very high	94.2	Very high	33 Å²	33	64.8 Å²	64.8	34%	0.34	32%	0.324	S	S	.	.	S	Bend	trans	90.8	16.6	-178	0	0	0	0	0	114	D44 Q45	D44-G47 PolarHBondContact O-N 3.46Å; D44-G47 PolarHBondContact OD1-N 3.27Å; Q45-G47 VanDerWaalsContact C-N 3.34Å
48	R	95.1	Very high	93.4	Very high	81 Å²	81	65.4 Å²	65.4	31%	0.306	32%	0.324	S	S	.	.			trans	-88.2	138.1	177.1	-52.4	177.1	-66.3	-173.8	-0.4	109.9	I43 D44 Q46 H50 I83 V84 D85	I43-R48 WeakPolarHBondContact CA-O 3.39Å; D44-R48 PolarHBondContact N-O 3.44Å; D44-R48 PolarHBondContact OD1-N 3.48Å; D44-R48 IonicContact OD1-NE 3.77Å; D44-R48 WeakPolarHBondContact OD2-CB 3.33Å; D44-R48 IonicContact OD2-CZ 2.68Å; D44-R48 IonicContact OD2-NE 3.86Å; D44-R48 PolarHBondContact OD2-NE 3.36Å; D44-R48 IonicContact OD2-NH2 3.17Å; D44-R48 PolarHBondContact OD2-NH2 3.49Å; Q46-R48 HydrophobicContact CB-CG 4.38Å; R48-H50 PolarHBondContact O-CD2 3.29Å; R48-I83 HydrophobicContact CB-CG2 4.19Å; R48-V84 CarbonylContact C-O 3.51Å; R48-V84 VanDerWaalsContact CA-O 3.23Å; R48-V84 WeakPolarHBondContact CA-O 3.49Å; R48-V84 WeakPolarHBondContact CB-O 3.25Å; R48-D85 VanDerWaalsContact CD-OD2 3.26Å; R48-D85 WeakPolarHBondContact CD-OD2 3.27Å; R48-D85 HydrophobicContact CG-CB 3.99Å
49	L	95.6	Very high	92	Very high	43 Å²	43	64.7 Å²	64.7	23%	0.225	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	115.1	179.1	-179.7	68.3	0	0	0	109.6	M22 R41 I43 I83 V84	M22-L49 HydrophobicContact CE-CD2 3.85Å; R41-L49 HydrophobicContact CG-CD1 3.66Å; I43-L49 HydrophobicContact CG1-CD1 3.96Å; L49-I83 WeakPolarHBondContact O-CA 3.4Å; L49-V84 HydrophobicContact CB-CB 4.19Å; L49-V84 PolarHBondContact N-O 2.97Å; L49-V84 PolarHBondContact O-N 2.77Å
50	H	96.2	Very high	90.2	Very high	47 Å²	47	62.1 Å²	62.1	22%	0.218	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	132.5	171.1	-62.8	-104.5	0	0	0	108.7	R41 N42 D44 R48 S82	R41-H50 VanDerWaalsContact CA-O 3.31Å; R41-H50 WeakPolarHBondContact CA-O 3.37Å; N42-H50 PolarHBondContact N-O 2.84Å; N42-H50 PolarHBondContact O-N 3.48Å; N42-H50 WeakPolarHBondContact OD1-CB 3.31Å; D44-H50 IonicContact OD2-CD2 3.53Å; D44-H50 IonicContact OD2-CE1 3.38Å; D44-H50 IonicContact OD2-NE2 2.66Å; D44-H50 PolarHBondContact OD2-NE2 3.29Å; R48-H50 PolarHBondContact O-CD2 3.29Å; H50-S82 CarbonylContact C-O 3.59Å; H50-S82 WeakPolarHBondContact CA-O 3.48Å
51	S	96	Very high	88.4	Confident	3 Å²	3	60.2 Å²	60.2	2%	0.021	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	134	173	-60.6	0	0	0	0	110	D40 R41 S81 S82	D40-S51 WeakPolarHBondContact O-CA 3.41Å; R41-S51 PolarHBondContact NE-OG 3.09Å; R41-S51 PolarHBondContact NH2-OG 3.5Å; S51-S81 CarbonylContact O-C 3.6Å; S51-S81 WeakPolarHBondContact O-CA 3.49Å; S51-S82 WeakPolarHBondContact CB-OG 3.22Å; S51-S82 PolarHBondContact N-O 2.89Å; S51-S82 PolarHBondContact O-N 3.01Å
52	K	95.8	Very high	86.6	Confident	104 Å²	104	56.2 Å²	56.2	45%	0.452	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	124.9	169	-67	179.2	-179.3	170.4	0	108.5	L39 D40 E80	L39-K52 HydrophobicContact CB-CB 4.45Å; L39-K52 PolarHBondContact N-O 3.39Å; D40-K52 HydrophobicContact CB-CB 4.27Å; D40-K52 HydrophobicContact CB-CD 4.38Å; D40-K52 PolarHBondContact N-O 3.41Å; D40-K52 PolarHBondContact O-N 2.99Å; K52-E80 CarbonylContact C-O 3.53Å; K52-E80 WeakPolarHBondContact CA-O 3.43Å
53	R	95.5	Very high	84.8	Confident	13 Å²	13	57.7 Å²	57.7	5%	0.049	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	147.2	179.9	-57.9	-166.8	-74.7	-171.1	-0.3	110.3	M22 D37 V38 L55 E80	M22-R53 PolarHBondContact O-NH1 3.47Å; D37-R53 CarbonylContact O-C 3.59Å; D37-R53 WeakPolarHBondContact O-CA 3.35Å; V38-R53 HydrophobicContact CG2-CG 4.17Å; R53-L55 HydrophobicContact CB-CD1 4.15Å; R53-E80 HydrophobicContact CB-CB 4.33Å; R53-E80 IonicContact CZ-OE1 2.72Å; R53-E80 PolarHBondContact N-O 2.8Å; R53-E80 IonicContact NE-OE1 3.51Å; R53-E80 PolarHBondContact NE-OE1 3Å; R53-E80 IonicContact NH2-OE1 3.97Å; R53-E80 PolarHBondContact NH2-OE1 2.82Å; R53-E80 IonicContact NH2-OE2 2.97Å; R53-E80 PolarHBondContact O-N 3.38Å
54	L	94.3	Very high	83	Confident	36 Å²	36	55.3 Å²	55.3	19%	0.188	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	121.4	169.7	-177.1	66.6	0	0	0	107.8	V36 D37 L39 Y77 I98	V36-L54 WeakPolarHBondContact CA-O 2.91Å; D37-L54 PolarHBondContact N-O 3.22Å; D37-L54 PolarHBondContact O-N 3.08Å; L39-L54 HydrophobicContact CD1-CB 4Å; L39-L54 HydrophobicContact CD2-CB 4.05Å; L39-L54 HydrophobicContact CG-CB 4Å; L54-Y77 HydrophobicContact CD1-CD1 4.43Å; L54-Y77 HydrophobicContact CD2-CD1 4.49Å; L54-I98 HydrophobicContact CD1-CD1 3.66Å
55	L	91.9	Very high	81.4	Confident	8 Å²	8	55.3 Å²	55.3	4%	0.042	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	126.6	174.4	-68.3	75.5	0	0	0	108.3	Y25 V33 V36 R53 T57 Y77 I78 E80	Y25-L55 HydrophobicContact CD2-CD2 4.26Å; Y25-L55 HydrophobicContact CE2-CD2 3.71Å; V33-L55 HydrophobicContact CG1-CD2 4.44Å; V36-L55 HydrophobicContact CG1-CG 4.38Å; V36-L55 HydrophobicContact CG2-CG 4.16Å; R53-L55 HydrophobicContact CB-CD1 4.15Å; L55-T57 HydrophobicContact CB-CG2 4.44Å; L55-Y77 WeakPolarHBondContact O-CA 3.4Å; L55-I78 HydrophobicContact CB-CB 4.25Å; L55-I78 PolarHBondContact N-O 3.38Å; L55-I78 PolarHBondContact O-N 3.4Å; L55-E80 HydrophobicContact CD1-CB 3.65Å
56	S	90.1	Very high	80	Confident	13 Å²	13	50.5 Å²	50.5	9%	0.091	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	117.5	172.7	-61.5	0	0	0	0	108.6	F34 G35 Y77	F34-S56 PolarHBondContact N-O 3.25Å; G35-S56 PolarHBondContact N-O 3.5Å; G35-S56 PolarHBondContact O-N 2.91Å; S56-Y77 WeakPolarHBondContact OG-CE1 3.32Å
57	T	85.3	Confident	78.6	Confident	8 Å²	8	50.5 Å²	50.5	5%	0.049	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	138.4	-175.2	65.8	0	0	0	0	110.4	S32 V33 L55 C75 T76 I78	S32-T57 CarbonylContact O-C 3.5Å; S32-T57 VanDerWaalsContact O-CA 3.27Å; S32-T57 WeakPolarHBondContact O-CA 3.18Å; V33-T57 HydrophobicContact CB-CG2 4.31Å; V33-T57 HydrophobicContact CG1-CG2 4.24Å; V33-T57 HydrophobicContact CG2-CG2 3.79Å; L55-T57 HydrophobicContact CB-CG2 4.44Å; T57-C75 CarbonylContact O-C 3.56Å; T57-C75 WeakPolarHBondContact O-CA 3.46Å; T57-T76 PolarHBondContact N-O 2.99Å; T57-T76 PolarHBondContact O-N 3.38Å; T57-T76 PolarHBondContact O-OG1 3.06Å; T57-T76 PolarHBondContact OG1-O 3.36Å; T57-T76 PolarHBondContact OG1-OG1 3.44Å; T57-I78 HydrophobicContact CG2-CD1 4.01Å
58	E	78.7	Confident	77.1	Confident	105 Å²	105	54.5 Å²	54.5	49%	0.491	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	100	169.6	-167.4	172.8	-166.6	0	0	108.3	S32 F34 T74	S32-E58 WeakPolarHBondContact CB-O 3.45Å; S32-E58 PolarHBondContact O-N 3.02Å; F34-E58 HydrophobicContact CD1-CB 4.14Å; F34-E58 HydrophobicContact CE1-CB 4.02Å; E58-T74 WeakPolarHBondContact CA-O 3.31Å; E58-T74 PolarHBondContact OE1-OG1 2.97Å
59	W	65.6	Low	75.4	Confident	60 Å²	60	52.1 Å²	52.1	23%	0.227	29%	0.29	C	S	.	.			trans	-98.1	124.8	-176.8	-145.8	73.9	0	0	0	110.8	L61 P62 T74 M145 T148	W59-L61 VanDerWaalsContact C-N 3.28Å; W59-L61 HydrophobicContact CE3-CD2 3.97Å; W59-L61 HydrophobicContact CE3-CG 4.47Å; W59-L61 HydrophobicContact CZ3-CD2 4.3Å; W59-L61 PolarHBondContact O-N 2.72Å; W59-P62 HydrophobicContact CH2-CG 4.27Å; W59-P62 HydrophobicContact CZ3-CG 4.08Å; W59-T74 PolarHBondContact N-O 2.8Å; W59-T74 VanDerWaalsContact N-O 3.09Å; W59-M145 HydrophobicContact CH2-SD 4.22Å; W59-T148 HydrophobicContact CH2-CG2 4.1Å; W59-T148 HydrophobicContact CZ2-CG2 3.47Å; W59-T148 VanDerWaalsContact CZ2-CG2 3.47Å
60	G	57.3	Low	73.6	Confident	53 Å²	53	51.9 Å²	51.9	55%	0.546	30%	0.297	S	S	.	.			trans	-71.4	86.1	168.1	0	0	0	0	0	109.4
61	L	58.1	Low	71.6	Confident	25 Å²	25	58.1 Å²	58.1	13%	0.131	33%	0.332	C	S	.	.			trans	-47.5	134.1	173	-70.9	168.8	0	0	0	109.7	W59 V65 K66 I69 F100	W59-L61 VanDerWaalsContact C-N 3.28Å; W59-L61 HydrophobicContact CE3-CD2 3.97Å; W59-L61 HydrophobicContact CE3-CG 4.47Å; W59-L61 HydrophobicContact CZ3-CD2 4.3Å; W59-L61 PolarHBondContact O-N 2.72Å; L61-V65 HydrophobicContact CB-CB 4.3Å; L61-V65 HydrophobicContact CB-CG1 4.35Å; L61-V65 HydrophobicContact CD1-CG1 4.33Å; L61-V65 HydrophobicContact CD2-CB 4.5Å; L61-V65 HydrophobicContact CD2-CG1 3.84Å; L61-V65 HydrophobicContact CG-CG1 4.41Å; L61-K66 HydrophobicContact CB-CD 4.47Å; L61-K66 HydrophobicContact CB-CG 3.65Å; L61-K66 VanDerWaalsContact O-CD 3.27Å; L61-K66 WeakPolarHBondContact O-CD 3.23Å; L61-K66 WeakPolarHBondContact O-CE 3.43Å; L61-K66 WeakPolarHBondContact O-CG 3.46Å; L61-I69 HydrophobicContact CD1-CD1 4.45Å; L61-F100 HydrophobicContact CD1-CE2 4.35Å; L61-F100 HydrophobicContact CD1-CZ 4.42Å
62	P	59.1	Low	69.7	Low	36 Å²	36	61.9 Å²	61.9	23%	0.234	36%	0.355	C	S	.	.			trans	-50.4	144.2	172.9	-27.3	30	0	0	0	109.7	W59 I64 V65 K66 V144	W59-P62 HydrophobicContact CH2-CG 4.27Å; W59-P62 HydrophobicContact CZ3-CG 4.08Å; P62-I64 PolarHBondContact O-N 3.18Å; P62-V65 HydrophobicContact CB-CG2 4.37Å; P62-V65 HydrophobicContact CG-CG2 4.45Å; P62-V65 WeakPolarHBondContact O-CA 3.39Å; P62-V65 WeakPolarHBondContact O-CB 3.42Å; P62-V65 PolarHBondContact O-N 3.2Å; P62-K66 PolarHBondContact O-N 2.98Å; P62-V144 HydrophobicContact CG-CG1 4.44Å
63	S	58.9	Low	67.9	Low	102 Å²	102	67.6 Å²	67.6	71%	0.713	37%	0.374	S	S	*	.	H	α-helix	trans	-53.6	-31.7	-172.7	-47	0	0	0	0	113.4	K66 S67	S63-K66 PolarHBondContact O-N 3.42Å; S63-S67 PolarHBondContact O-N 2.99Å
64	I	58.5	Low	66.6	Low	75 Å²	75	69.4 Å²	69.4	39%	0.385	39%	0.386	S	S	.	.	H	α-helix	trans	-64.4	-40	174.3	-73.1	164.1	0	0	0	112.2	P62 S67 L68 Y140 L141	P62-I64 PolarHBondContact O-N 3.18Å; I64-S67 PolarHBondContact O-OG 2.87Å; I64-S67 VanDerWaalsContact O-OG 3.04Å; I64-L68 HydrophobicContact CG2-CD1 4.32Å; I64-L68 WeakPolarHBondContact O-CD1 3.39Å; I64-L68 WeakPolarHBondContact O-CG 3.49Å; I64-L68 PolarHBondContact O-N 3.49Å; I64-Y140 HydrophobicContact CD1-CE1 3.85Å; I64-L141 HydrophobicContact CG2-CD2 4.22Å
65	V	59.9	Low	65.9	Low	28 Å²	28	69.3 Å²	69.3	17%	0.17	39%	0.388	C	S	.	.	H	α-helix	trans	-75.8	-37.2	178.7	-176.2	0	0	0	0	110	L61 P62 S67 L68 I69 L141	L61-V65 HydrophobicContact CB-CB 4.3Å; L61-V65 HydrophobicContact CB-CG1 4.35Å; L61-V65 HydrophobicContact CD1-CG1 4.33Å; L61-V65 HydrophobicContact CD2-CB 4.5Å; L61-V65 HydrophobicContact CD2-CG1 3.84Å; L61-V65 HydrophobicContact CG-CG1 4.41Å; P62-V65 HydrophobicContact CB-CG2 4.37Å; P62-V65 HydrophobicContact CG-CG2 4.45Å; P62-V65 WeakPolarHBondContact O-CA 3.39Å; P62-V65 WeakPolarHBondContact O-CB 3.42Å; P62-V65 PolarHBondContact O-N 3.2Å; V65-S67 VanDerWaalsContact C-N 3.34Å; V65-S67 PolarHBondContact O-N 3.36Å; V65-L68 PolarHBondContact O-N 3.34Å; V65-I69 HydrophobicContact CG1-CD1 3.38Å; V65-I69 HydrophobicContact CG1-CG1 4.08Å; V65-I69 WeakPolarHBondContact O-CB 3.42Å; V65-I69 VanDerWaalsContact O-CG1 3.3Å; V65-I69 WeakPolarHBondContact O-CG1 3.44Å; V65-I69 PolarHBondContact O-N 2.79Å; V65-L141 HydrophobicContact CG2-CD2 4.26Å
66	K	63.3	Low	65.4	Low	90 Å²	90	69.8 Å²	69.8	39%	0.391	39%	0.392	S	S	.	.	H	α-helix	trans	-60.8	-40.5	172	-71.2	-179.3	172.4	171.2	0	112.6	L61 P62 S63 L68 G70	L61-K66 HydrophobicContact CB-CD 4.47Å; L61-K66 HydrophobicContact CB-CG 3.65Å; L61-K66 VanDerWaalsContact O-CD 3.27Å; L61-K66 WeakPolarHBondContact O-CD 3.23Å; L61-K66 WeakPolarHBondContact O-CE 3.43Å; L61-K66 WeakPolarHBondContact O-CG 3.46Å; P62-K66 PolarHBondContact O-N 2.98Å; S63-K66 PolarHBondContact O-N 3.42Å; K66-L68 VanDerWaalsContact C-N 3.31Å; K66-L68 PolarHBondContact O-N 3.42Å; K66-G70 PolarHBondContact O-N 3Å
67	S	62.7	Low	65.4	Low	98 Å²	98	74 Å²	74	69%	0.685	41%	0.406	S	S	*	.	H	α-helix	trans	-70	-28.2	179	75.3	0	0	0	0	112.9	S63 I64 V65	S63-S67 PolarHBondContact O-N 2.99Å; I64-S67 PolarHBondContact O-OG 2.87Å; I64-S67 VanDerWaalsContact O-OG 3.04Å; V65-S67 VanDerWaalsContact C-N 3.34Å; V65-S67 PolarHBondContact O-N 3.36Å
68	L	61.9	Low	65.6	Low	117 Å²	117	75.8 Å²	75.8	61%	0.613	42%	0.415	S	S	*	.	H	α-helix	trans	-80.6	-38.8	176.6	-75.1	165.8	0	0	0	113.3	I64 V65 K66	I64-L68 HydrophobicContact CG2-CD1 4.32Å; I64-L68 WeakPolarHBondContact O-CD1 3.39Å; I64-L68 WeakPolarHBondContact O-CG 3.49Å; I64-L68 PolarHBondContact O-N 3.49Å; V65-L68 PolarHBondContact O-N 3.34Å; K66-L68 VanDerWaalsContact C-N 3.31Å; K66-L68 PolarHBondContact O-N 3.42Å
69	I	59.4	Low	66.4	Low	31 Å²	31	75 Å²	75	16%	0.159	41%	0.411	C	S	.	.	H	α-helix	trans	-90.7	-16.4	-172.9	-59.7	-177.9	0	0	0	111.7	L61 V65 V72 F100 M103	L61-I69 HydrophobicContact CD1-CD1 4.45Å; V65-I69 HydrophobicContact CG1-CD1 3.38Å; V65-I69 HydrophobicContact CG1-CG1 4.08Å; V65-I69 WeakPolarHBondContact O-CB 3.42Å; V65-I69 VanDerWaalsContact O-CG1 3.3Å; V65-I69 WeakPolarHBondContact O-CG1 3.44Å; V65-I69 PolarHBondContact O-N 2.79Å; I69-V72 HydrophobicContact CG2-CB 4.32Å; I69-V72 HydrophobicContact CG2-CG2 3.92Å; I69-V72 WeakPolarHBondContact O-CG2 3.29Å; I69-F100 HydrophobicContact CD1-CD1 3.91Å; I69-F100 HydrophobicContact CD1-CE1 3.79Å; I69-F100 HydrophobicContact CD1-CZ 4.42Å; I69-F100 HydrophobicContact CG2-CE1 3.71Å; I69-F100 HydrophobicContact CG2-CZ 4.18Å; I69-M103 HydrophobicContact CD1-CE 4.38Å; I69-M103 HydrophobicContact CD1-SD 3.55Å; I69-M103 VanDerWaalsContact CD1-SD 3.55Å; I69-M103 HydrophobicContact CG1-CE 4.09Å; I69-M103 HydrophobicContact CG1-SD 3.78Å
70	G	56.1	Low	67.8	Low	38 Å²	38	72.6 Å²	72.6	39%	0.392	40%	0.402	S	S	.	.			trans	76.1	176.9	-172.3	0	0	0	0	0	111.7	K66 V72	K66-G70 PolarHBondContact O-N 3Å; G70-V72 PolarHBondContact O-N 3.33Å
71	N	55.4	Low	69.6	Low	177 Å²	177	71.8 Å²	71.8	95%	0.947	39%	0.388	S	S	*	.	S	Bend	trans	-74.1	50.7	-174.1	-128.1	38	0	0	0	112.6
72	V	55.4	Low	71.4	Confident	83 Å²	83	70.8 Å²	70.8	50%	0.503	38%	0.384	S	S	.	.			trans	-81.3	148.6	-179.5	-163.4	0	0	0	0	109	I69 G70 T74	I69-V72 HydrophobicContact CG2-CB 4.32Å; I69-V72 HydrophobicContact CG2-CG2 3.92Å; I69-V72 WeakPolarHBondContact O-CG2 3.29Å; G70-V72 PolarHBondContact O-N 3.33Å; V72-T74 PolarHBondContact O-N 3.16Å
73	R	59.5	Low	73.2	Confident	224 Å²	224	71.6 Å²	71.6	85%	0.845	39%	0.386	S	S	*	.			trans	-42.6	126.8	-179.1	-64.6	-178.3	177.4	-172.2	-1.3	110.9	C75	R73-C75 PolarHBondContact O-N 3.43Å; R73-C75 VanDerWaalsContact O-N 3.16Å
74	T	68.1	Low	75	Confident	51 Å²	51	67.4 Å²	67.4	31%	0.313	36%	0.355	S	S	.	.			trans	-70.5	-0.5	-177.4	39.5	0	0	0	0	114.3	E58 W59 V72	E58-T74 WeakPolarHBondContact CA-O 3.31Å; E58-T74 PolarHBondContact OE1-OG1 2.97Å; W59-T74 PolarHBondContact N-O 2.8Å; W59-T74 VanDerWaalsContact N-O 3.09Å; V72-T74 PolarHBondContact O-N 3.16Å
75	C	77.8	Confident	76.7	Confident	33 Å²	33	65 Å²	65	22%	0.223	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	120.3	-178.8	-171.9	0	0	0	0	110.8	T57 R73	T57-C75 CarbonylContact O-C 3.56Å; T57-C75 WeakPolarHBondContact O-CA 3.46Å; R73-C75 PolarHBondContact O-N 3.43Å; R73-C75 VanDerWaalsContact O-N 3.16Å
76	T	83	Confident	78.3	Confident	19 Å²	19	67.3 Å²	67.3	12%	0.117	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	144.1	174.2	47.3	0	0	0	0	110.5	T57 T99 F100	T57-T76 PolarHBondContact N-O 2.99Å; T57-T76 PolarHBondContact O-N 3.38Å; T57-T76 PolarHBondContact O-OG1 3.06Å; T57-T76 PolarHBondContact OG1-O 3.36Å; T57-T76 PolarHBondContact OG1-OG1 3.44Å; T76-T99 HydrophobicContact CG2-CG2 4.35Å; T76-F100 HydrophobicContact CG2-CD2 3.89Å; T76-F100 HydrophobicContact CG2-CE2 3.85Å
77	Y	88.6	Confident	79.6	Confident	100 Å²	100	70.5 Å²	70.5	39%	0.392	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	134.6	178.9	-60.3	-73.1	0	0	0	110.4	L54 L55 S56 I98 T99	L54-Y77 HydrophobicContact CD1-CD1 4.43Å; L54-Y77 HydrophobicContact CD2-CD1 4.49Å; L55-Y77 WeakPolarHBondContact O-CA 3.4Å; S56-Y77 WeakPolarHBondContact OG-CE1 3.32Å; Y77-I98 PolarHBondContact O-N 3.25Å; Y77-T99 WeakPolarHBondContact CD2-OG1 3.37Å; Y77-T99 PolarHBondContact N-OG1 3.21Å; Y77-T99 PolarHBondContact O-N 3.02Å
78	I	90.9	Very high	81	Confident	47 Å²	47	72.4 Å²	72.4	24%	0.241	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	126.8	177.1	-58.6	167.6	0	0	0	107.3	L55 T57	L55-I78 HydrophobicContact CB-CB 4.25Å; L55-I78 PolarHBondContact N-O 3.38Å; L55-I78 PolarHBondContact O-N 3.4Å; T57-I78 HydrophobicContact CG2-CD1 4.01Å
79	Q	94.3	Very high	82.5	Confident	87 Å²	87	70.9 Å²	70.9	41%	0.407	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	132.5	169.4	-174.8	176.6	-54.9	0	0	108.4	S95 S96 I98	Q79-S95 WeakPolarHBondContact O-CA 3.16Å; Q79-S96 PolarHBondContact N-O 3.29Å; Q79-S96 PolarHBondContact O-N 2.82Å; Q79-I98 HydrophobicContact CB-CD1 3.72Å; Q79-I98 HydrophobicContact CB-CG1 3.86Å
80	E	95.1	Very high	84.2	Confident	10 Å²	10	72 Å²	72	5%	0.047	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	134.6	174.8	-171.2	-168.4	84.3	0	0	109.5	K52 R53 L55 L93 Q94	K52-E80 CarbonylContact C-O 3.53Å; K52-E80 WeakPolarHBondContact CA-O 3.43Å; R53-E80 HydrophobicContact CB-CB 4.33Å; R53-E80 IonicContact CZ-OE1 2.72Å; R53-E80 PolarHBondContact N-O 2.8Å; R53-E80 IonicContact NE-OE1 3.51Å; R53-E80 PolarHBondContact NE-OE1 3Å; R53-E80 IonicContact NH2-OE1 3.97Å; R53-E80 PolarHBondContact NH2-OE1 2.82Å; R53-E80 IonicContact NH2-OE2 2.97Å; R53-E80 PolarHBondContact O-N 3.38Å; L55-E80 HydrophobicContact CD1-CB 3.65Å; E80-L93 HydrophobicContact CG-CD1 4.12Å; E80-L93 HydrophobicContact CG-CD2 3.69Å; E80-L93 HydrophobicContact CG-CG 3.73Å; E80-Q94 CarbonylContact C-O 3.58Å; E80-Q94 VanDerWaalsContact CA-O 3.31Å; E80-Q94 WeakPolarHBondContact CA-O 3.09Å
81	S	95.8	Very high	86.1	Confident	36 Å²	36	70.2 Å²	70.2	25%	0.252	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	124.9	175.5	-62.4	0	0	0	0	108.6	S51 Q94	S51-S81 CarbonylContact O-C 3.6Å; S51-S81 WeakPolarHBondContact O-CA 3.49Å; S81-Q94 PolarHBondContact N-O 2.85Å; S81-Q94 PolarHBondContact O-N 2.83Å
82	S	96.1	Very high	88	Confident	4 Å²	4	63.6 Å²	63.6	3%	0.028	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	142.8	-177.1	74.5	0	0	0	0	111.8	H50 S51 E92	H50-S82 CarbonylContact C-O 3.59Å; H50-S82 WeakPolarHBondContact CA-O 3.48Å; S51-S82 WeakPolarHBondContact CB-OG 3.22Å; S51-S82 PolarHBondContact N-O 2.89Å; S51-S82 PolarHBondContact O-N 3.01Å; S82-E92 CarbonylContact C-O 3.53Å; S82-E92 WeakPolarHBondContact CA-O 3.18Å
83	I	96.5	Very high	89.9	Confident	54 Å²	54	60.1 Å²	60.1	28%	0.277	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	123.3	177.8	-53.5	178.5	0	0	0	107.8	R48 L49 F91 E92	R48-I83 HydrophobicContact CB-CG2 4.19Å; L49-I83 WeakPolarHBondContact O-CA 3.4Å; I83-F91 WeakPolarHBondContact O-CA 3.49Å; I83-E92 PolarHBondContact N-O 2.84Å; I83-E92 PolarHBondContact O-N 2.66Å
84	V	96.4	Very high	91.6	Very high	13 Å²	13	53.8 Å²	53.8	8%	0.079	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	118.4	174.4	-172.3	0	0	0	0	108.3	W14 T18 M22 R48 L49 P86 F91	W14-V84 HydrophobicContact CH2-CG1 3.82Å; W14-V84 HydrophobicContact CZ2-CG1 4.04Å; T18-V84 HydrophobicContact CG2-CG1 4.11Å; T18-V84 HydrophobicContact CG2-CG2 4.39Å; M22-V84 HydrophobicContact CE-CG2 3.35Å; R48-V84 CarbonylContact C-O 3.51Å; R48-V84 VanDerWaalsContact CA-O 3.23Å; R48-V84 WeakPolarHBondContact CA-O 3.49Å; R48-V84 WeakPolarHBondContact CB-O 3.25Å; L49-V84 HydrophobicContact CB-CB 4.19Å; L49-V84 PolarHBondContact N-O 2.97Å; L49-V84 PolarHBondContact O-N 2.77Å; V84-P86 WeakPolarHBondContact O-CD 3.46Å; V84-F91 HydrophobicContact CB-CD2 4.23Å; V84-F91 HydrophobicContact CG2-CD2 3.34Å; V84-F91 HydrophobicContact CG2-CE2 3.62Å; V84-F91 HydrophobicContact CG2-CG 4.38Å
85	D	95.4	Very high	92.7	Very high	25 Å²	25	52 Å²	52	13%	0.134	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	106.4	170.5	-165.7	-34.1	0	0	0	109.6	R48 K87 E88 K89 M90	R48-D85 VanDerWaalsContact CD-OD2 3.26Å; R48-D85 WeakPolarHBondContact CD-OD2 3.27Å; R48-D85 HydrophobicContact CG-CB 3.99Å; D85-K87 VanDerWaalsContact C-N 3.3Å; D85-K87 WeakPolarHBondContact OD1-CB 3.47Å; D85-K87 PolarHBondContact OD1-N 3.14Å; D85-E88 HydrophobicContact CB-CB 4.31Å; D85-E88 PolarHBondContact OD1-N 3.01Å; D85-E88 VanDerWaalsContact OD1-N 3.1Å; D85-K89 VanDerWaalsContact O-CA 3.29Å; D85-K89 WeakPolarHBondContact O-CA 3.26Å; D85-K89 PolarHBondContact O-N 3.41Å; D85-M90 HydrophobicContact CB-CB 4.34Å; D85-M90 PolarHBondContact N-O 3.35Å; D85-M90 PolarHBondContact O-N 2.77Å
86	P	92.4	Very high	93.4	Very high	77 Å²	77	52.6 Å²	52.6	50%	0.5	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-19.7	178.8	30.2	-34.6	0	0	0	113.3	V84	V84-P86 WeakPolarHBondContact O-CD 3.46Å
87	K	91.3	Very high	93.6	Very high	156 Å²	156	53.1 Å²	53.1	68%	0.678	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-48.6	-179.8	-66.3	174.4	179	163.4	0	110.4	Q46 D85 K89	Q46-K87 PolarHBondContact O-NZ 3.07Å; D85-K87 VanDerWaalsContact C-N 3.3Å; D85-K87 WeakPolarHBondContact OD1-CB 3.47Å; D85-K87 PolarHBondContact OD1-N 3.14Å; K87-K89 VanDerWaalsContact C-N 3.27Å; K87-K89 PolarHBondContact O-N 2.93Å
88	E	91.4	Very high	93.6	Very high	138 Å²	138	52.4 Å²	52.4	65%	0.645	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.6	-1.1	178.4	-63.9	-61.7	136.5	0	0	113	D85 M90	D85-E88 HydrophobicContact CB-CB 4.31Å; D85-E88 PolarHBondContact OD1-N 3.01Å; D85-E88 VanDerWaalsContact OD1-N 3.1Å; E88-M90 VanDerWaalsContact C-N 3.29Å; E88-M90 HydrophobicContact CB-CB 4.46Å; E88-M90 PolarHBondContact O-N 2.85Å
89	K	93.1	Very high	93.1	Very high	85 Å²	85	51.8 Å²	51.8	37%	0.37	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.1	53.4	-172.8	-62	-167.1	178.9	-157.2	0	111.7	W14 E15 D85 K87 P114	W14-K89 HydrophobicContact CD2-CB 4Å; W14-K89 VanDerWaalsContact CE2-C 3.44Å; W14-K89 HydrophobicContact CE3-CB 4.03Å; W14-K89 HydrophobicContact CE3-CD 4.45Å; W14-K89 HydrophobicContact CE3-CG 4.21Å; W14-K89 HydrophobicContact CG-CB 4.44Å; W14-K89 HydrophobicContact CZ3-CB 4.35Å; W14-K89 HydrophobicContact CZ3-CG 4.39Å; W14-K89 PolarHBondContact NE1-O 2.88Å; E15-K89 WeakPolarHBondContact OE1-CE 3.45Å; E15-K89 IonicContact OE1-NZ 2.62Å; E15-K89 PolarHBondContact OE1-NZ 3.48Å; D85-K89 VanDerWaalsContact O-CA 3.29Å; D85-K89 WeakPolarHBondContact O-CA 3.26Å; D85-K89 PolarHBondContact O-N 3.41Å; K87-K89 VanDerWaalsContact C-N 3.27Å; K87-K89 PolarHBondContact O-N 2.93Å; K89-P114 HydrophobicContact CB-CG 3.7Å; K89-P114 HydrophobicContact CD-CG 3.98Å; K89-P114 WeakPolarHBondContact O-CD 3.19Å
90	M	94.7	Very high	92.2	Very high	56 Å²	56	49.7 Å²	49.7	28%	0.276	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	131.1	-178.6	-169.3	-176.7	-40.9	0	0	109.6	D85 E88 T111 K113	D85-M90 HydrophobicContact CB-CB 4.34Å; D85-M90 PolarHBondContact N-O 3.35Å; D85-M90 PolarHBondContact O-N 2.77Å; E88-M90 VanDerWaalsContact C-N 3.29Å; E88-M90 HydrophobicContact CB-CB 4.46Å; E88-M90 PolarHBondContact O-N 2.85Å; M90-T111 HydrophobicContact CG-CG2 4.42Å; M90-K113 HydrophobicContact CG-CG 4.15Å
91	F	96.3	Very high	91.4	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	114.3	171.2	173.6	-125.1	0	0	0	109.1	W14 T18 A21 I83 V84 L93 Y112	W14-F91 HydrophobicContact CZ2-CB 4.04Å; T18-F91 HydrophobicContact CG2-CB 4.24Å; T18-F91 HydrophobicContact CG2-CD1 4.35Å; T18-F91 HydrophobicContact CG2-CD2 4.38Å; T18-F91 HydrophobicContact CG2-CG 4.09Å; A21-F91 HydrophobicContact CB-CD1 4.32Å; A21-F91 HydrophobicContact CB-CE1 3.56Å; A21-F91 HydrophobicContact CB-CZ 4.32Å; I83-F91 WeakPolarHBondContact O-CA 3.49Å; V84-F91 HydrophobicContact CB-CD2 4.23Å; V84-F91 HydrophobicContact CG2-CD2 3.34Å; V84-F91 HydrophobicContact CG2-CE2 3.62Å; V84-F91 HydrophobicContact CG2-CG 4.38Å; F91-L93 HydrophobicContact CE1-CD1 4.23Å; F91-L93 HydrophobicContact CZ-CB 4.34Å; F91-L93 HydrophobicContact CZ-CD1 3.85Å; F91-Y112 HydrophobicContact CB-CD2 4.47Å; F91-Y112 AromaticContact CD1-CD2 3.32Å; F91-Y112 HydrophobicContact CD1-CD2 3.32Å; F91-Y112 AromaticContact CD1-CE2 3.77Å; F91-Y112 HydrophobicContact CD1-CE2 3.77Å; F91-Y112 AromaticContact CD1-CG 3.95Å; F91-Y112 HydrophobicContact CD1-CG 3.95Å; F91-Y112 AromaticContact CE1-CD2 3.9Å; F91-Y112 HydrophobicContact CE1-CD2 3.9Å; F91-Y112 AromaticContact CE1-CE2 3.84Å; F91-Y112 HydrophobicContact CE1-CE2 3.84Å; F91-Y112 HydrophobicContact CG-CD2 4.21Å; F91-Y112 PolarHBondContact N-O 2.9Å; F91-Y112 PolarHBondContact O-N 3.41Å
92	E	95.9	Very high	90.4	Very high	38 Å²	38	55.8 Å²	55.8	18%	0.178	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	137.1	177.5	-169.8	177.3	110.5	0	0	109.3	S82 I83 Q94 K109 L110	S82-E92 CarbonylContact C-O 3.53Å; S82-E92 WeakPolarHBondContact CA-O 3.18Å; I83-E92 PolarHBondContact N-O 2.84Å; I83-E92 PolarHBondContact O-N 2.66Å; E92-Q94 PolarHBondContact OE1-NE2 3.35Å; E92-K109 VanDerWaalsContact CD-NZ 3.34Å; E92-K109 IonicContact OE1-NZ 3.49Å; E92-K109 PolarHBondContact OE1-NZ 2.91Å; E92-K109 WeakPolarHBondContact OE2-CE 3.49Å; E92-K109 IonicContact OE2-NZ 2.76Å; E92-K109 PolarHBondContact OE2-NZ 2.9Å; E92-L110 CarbonylContact C-O 3.58Å; E92-L110 WeakPolarHBondContact CA-O 3.45Å
93	L	95.1	Very high	89.3	Confident	10 Å²	10	58.9 Å²	58.9	5%	0.052	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	125.6	179.3	-174.2	150.6	0	0	0	108.9	E80 F91 S95 K109 L110	E80-L93 HydrophobicContact CG-CD1 4.12Å; E80-L93 HydrophobicContact CG-CD2 3.69Å; E80-L93 HydrophobicContact CG-CG 3.73Å; F91-L93 HydrophobicContact CE1-CD1 4.23Å; F91-L93 HydrophobicContact CZ-CB 4.34Å; F91-L93 HydrophobicContact CZ-CD1 3.85Å; L93-S95 WeakPolarHBondContact CD2-OG 3.42Å; L93-K109 CarbonylContact O-C 3.47Å; L93-K109 WeakPolarHBondContact O-CA 3.36Å; L93-L110 HydrophobicContact CB-CB 4.39Å; L93-L110 HydrophobicContact CD2-CD1 3.95Å; L93-L110 PolarHBondContact N-O 3.18Å; L93-L110 PolarHBondContact O-N 3.45Å
94	Q	94.8	Very high	88.3	Confident	90 Å²	90	57.9 Å²	57.9	42%	0.421	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	126.8	178.6	-63.4	-177.5	6.7	0	0	108.8	E80 S81 E92 E108 K109	E80-Q94 CarbonylContact C-O 3.58Å; E80-Q94 VanDerWaalsContact CA-O 3.31Å; E80-Q94 WeakPolarHBondContact CA-O 3.09Å; S81-Q94 PolarHBondContact N-O 2.85Å; S81-Q94 PolarHBondContact O-N 2.83Å; E92-Q94 PolarHBondContact OE1-NE2 3.35Å; Q94-E108 CarbonylContact C-O 2.94Å; Q94-E108 WeakPolarHBondContact CA-O 3.38Å; Q94-K109 HydrophobicContact CG-CG 4.34Å
95	S	92.8	Very high	87.7	Confident	14 Å²	14	58 Å²	58	10%	0.098	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	129.6	-178.6	-63.5	0	0	0	0	110	Q79 L93 E108	Q79-S95 WeakPolarHBondContact O-CA 3.16Å; L93-S95 WeakPolarHBondContact CD2-OG 3.42Å; S95-E108 PolarHBondContact N-O 3.25Å; S95-E108 PolarHBondContact O-N 2.93Å
96	S	91	Very high	87.2	Confident	45 Å²	45	58.2 Å²	58.2	32%	0.315	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	139.2	176.4	-58.3	0	0	0	0	110.2	Q79 V106 D107	Q79-S96 PolarHBondContact N-O 3.29Å; Q79-S96 PolarHBondContact O-N 2.82Å; S96-V106 WeakPolarHBondContact CA-O 3.39Å; S96-D107 WeakPolarHBondContact CB-OD1 3.34Å; S96-D107 PolarHBondContact OG-OD1 2.62Å
97	N	88.3	Confident	87.1	Confident	30 Å²	30	57.4 Å²	57.4	16%	0.16	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	132.6	175.3	67.9	-66.4	0	0	0	111.5	T99 T101 V104 S105 V106	N97-T99 PolarHBondContact ND2-O 3.06Å; N97-T101 PolarHBondContact O-OG1 2.9Å; N97-V104 PolarHBondContact ND2-O 3.43Å; N97-S105 WeakPolarHBondContact OD1-CA 3.24Å; N97-V106 PolarHBondContact N-O 3.44Å; N97-V106 PolarHBondContact OD1-N 3.08Å; N97-V106 PolarHBondContact OD1-O 3.06Å
98	I	87.2	Confident	87.1	Confident	85 Å²	85	52.4 Å²	52.4	44%	0.436	27%	0.272	S	S	.	.			trans	-89.1	-38.6	174.1	-59.2	162.5	0	0	0	110.2	L54 Y77 Q79 T101	L54-I98 HydrophobicContact CD1-CD1 3.66Å; Y77-I98 PolarHBondContact O-N 3.25Å; Q79-I98 HydrophobicContact CB-CD1 3.72Å; Q79-I98 HydrophobicContact CB-CG1 3.86Å; I98-T101 PolarHBondContact O-OG1 3Å
99	T	81.3	Confident	87.2	Confident	34 Å²	34	49.1 Å²	49.1	21%	0.209	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	140.8	179.4	-42.6	0	0	0	0	110.2	T76 Y77 N97 T101	T76-T99 HydrophobicContact CG2-CG2 4.35Å; Y77-T99 WeakPolarHBondContact CD2-OG1 3.37Å; Y77-T99 PolarHBondContact N-OG1 3.21Å; Y77-T99 PolarHBondContact O-N 3.02Å; N97-T99 PolarHBondContact ND2-O 3.06Å; T99-T101 PolarHBondContact O-N 3.49Å
100	F	74.8	Confident	87.3	Confident	44 Å²	44	45.5 Å²	45.5	19%	0.193	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.4	16.2	178.7	-57.3	-68.1	0	0	0	116.4	L61 I69 T76 N102 M103 V104	L61-F100 HydrophobicContact CD1-CE2 4.35Å; L61-F100 HydrophobicContact CD1-CZ 4.42Å; I69-F100 HydrophobicContact CD1-CD1 3.91Å; I69-F100 HydrophobicContact CD1-CE1 3.79Å; I69-F100 HydrophobicContact CD1-CZ 4.42Å; I69-F100 HydrophobicContact CG2-CE1 3.71Å; I69-F100 HydrophobicContact CG2-CZ 4.18Å; T76-F100 HydrophobicContact CG2-CD2 3.89Å; T76-F100 HydrophobicContact CG2-CE2 3.85Å; F100-N102 WeakPolarHBondContact CA-OD1 3.23Å; F100-N102 PolarHBondContact O-N 3.22Å; F100-N102 PolarHBondContact O-OD1 3.44Å; F100-M103 PolarHBondContact O-N 3.2Å; F100-V104 CarbonylContact C-O 3.59Å; F100-V104 PolarHBondContact O-N 3.08Å; F100-V104 VanDerWaalsContact O-O 3.08Å
101	T	79.1	Confident	87.4	Confident	55 Å²	55	43.8 Å²	43.8	34%	0.337	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-22.4	177.5	-38.9	0	0	0	0	113.2	N97 I98 T99 M103 V104	N97-T101 PolarHBondContact O-OG1 2.9Å; I98-T101 PolarHBondContact O-OG1 3Å; T99-T101 PolarHBondContact O-N 3.49Å; T101-M103 VanDerWaalsContact C-N 3.28Å; T101-M103 PolarHBondContact O-N 3.31Å; T101-V104 WeakPolarHBondContact CA-O 3.46Å
102	N	73.7	Confident	87.3	Confident	119 Å²	119	44 Å²	44	64%	0.636	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-24.5	173.3	63.7	-38.7	0	0	0	113.5	F100	F100-N102 WeakPolarHBondContact CA-OD1 3.23Å; F100-N102 PolarHBondContact O-N 3.22Å; F100-N102 PolarHBondContact O-OD1 3.44Å
103	M	73.1	Confident	87.3	Confident	68 Å²	68	46.9 Å²	46.9	34%	0.335	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.4	-49.2	178.4	-62.6	-176.3	-178.2	0	0	111.5	I69 F100 T101 K133	I69-M103 HydrophobicContact CD1-CE 4.38Å; I69-M103 HydrophobicContact CD1-SD 3.55Å; I69-M103 VanDerWaalsContact CD1-SD 3.55Å; I69-M103 HydrophobicContact CG1-CE 4.09Å; I69-M103 HydrophobicContact CG1-SD 3.78Å; F100-M103 PolarHBondContact O-N 3.2Å; T101-M103 VanDerWaalsContact C-N 3.28Å; T101-M103 PolarHBondContact O-N 3.31Å; M103-K133 PolarHBondContact O-N 2.75Å
104	V	76.1	Confident	87.3	Confident	33 Å²	33	48.2 Å²	48.2	20%	0.2	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	123.6	-177.3	-173.4	0	0	0	0	109.5	N97 F100 T101 V106 I130 S131 V132 M145	N97-V104 PolarHBondContact ND2-O 3.43Å; F100-V104 CarbonylContact C-O 3.59Å; F100-V104 PolarHBondContact O-N 3.08Å; F100-V104 VanDerWaalsContact O-O 3.08Å; T101-V104 WeakPolarHBondContact CA-O 3.46Å; V104-V106 HydrophobicContact CG1-CG2 4.11Å; V104-I130 HydrophobicContact CG1-CG2 4.47Å; V104-S131 WeakPolarHBondContact CA-O 3.37Å; V104-V132 HydrophobicContact CG1-CG2 4.26Å; V104-V132 HydrophobicContact CG2-CG1 4.49Å; V104-V132 HydrophobicContact CG2-CG2 4.26Å; V104-M145 HydrophobicContact CG1-CE 4.1Å
105	S	83.7	Confident	87.2	Confident	17 Å²	17	45.6 Å²	45.6	12%	0.119	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	129.5	169.1	-159.8	0	0	0	0	108.6	N97 D107 S131	N97-S105 WeakPolarHBondContact OD1-CA 3.24Å; S105-D107 PolarHBondContact OG-OD2 3.21Å; S105-S131 PolarHBondContact N-O 3.23Å; S105-S131 PolarHBondContact O-N 2.92Å
106	V	84.9	Confident	87.1	Confident	29 Å²	29	50.3 Å²	50.3	18%	0.176	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	115.5	172.7	-176.8	0	0	0	0	106.6	S96 N97 V104 I129 M145 I149	S96-V106 WeakPolarHBondContact CA-O 3.39Å; N97-V106 PolarHBondContact N-O 3.44Å; N97-V106 PolarHBondContact OD1-N 3.08Å; N97-V106 PolarHBondContact OD1-O 3.06Å; V104-V106 HydrophobicContact CG1-CG2 4.11Å; V106-I129 WeakPolarHBondContact CA-O 3.4Å; V106-M145 HydrophobicContact CG2-CE 3.99Å; V106-I149 HydrophobicContact CG1-CD1 3.69Å
107	D	90	Very high	87.2	Confident	60 Å²	60	56.3 Å²	56.3	32%	0.321	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	111.5	176.6	-64.5	-74.8	0	0	0	107.6	S96 S105 A128 I129	S96-D107 WeakPolarHBondContact CB-OD1 3.34Å; S96-D107 PolarHBondContact OG-OD1 2.62Å; S105-D107 PolarHBondContact OG-OD2 3.21Å; D107-A128 CarbonylContact O-C 3.53Å; D107-A128 WeakPolarHBondContact O-CA 3.41Å; D107-I129 HydrophobicContact CB-CB 4.5Å; D107-I129 PolarHBondContact N-O 3.09Å; D107-I129 PolarHBondContact O-N 2.83Å
108	E	91.9	Very high	87.3	Confident	51 Å²	51	57.1 Å²	57.1	24%	0.238	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	132.2	-180	-160	-171.4	-179.4	0	0	109.8	Q94 S95 L110 Q126 E127 A128	Q94-E108 CarbonylContact C-O 2.94Å; Q94-E108 WeakPolarHBondContact CA-O 3.38Å; S95-E108 PolarHBondContact N-O 3.25Å; S95-E108 PolarHBondContact O-N 2.93Å; E108-L110 HydrophobicContact CB-CD1 4.32Å; E108-L110 VanDerWaalsContact CD-CD1 3.45Å; E108-L110 HydrophobicContact CG-CD1 3.6Å; E108-Q126 PolarHBondContact OE1-NE2 2.84Å; E108-E127 CarbonylContact C-O 3.58Å; E108-E127 WeakPolarHBondContact CA-O 3.44Å; E108-A128 HydrophobicContact CG-CB 4.21Å
109	K	94.2	Very high	87.4	Confident	68 Å²	68	57.4 Å²	57.4	30%	0.296	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	124.9	173.5	-179	175.1	177.4	161.3	0	109.1	E92 L93 Q94 Q126 E127	E92-K109 VanDerWaalsContact CD-NZ 3.34Å; E92-K109 IonicContact OE1-NZ 3.49Å; E92-K109 PolarHBondContact OE1-NZ 2.91Å; E92-K109 WeakPolarHBondContact OE2-CE 3.49Å; E92-K109 IonicContact OE2-NZ 2.76Å; E92-K109 PolarHBondContact OE2-NZ 2.9Å; L93-K109 CarbonylContact O-C 3.47Å; L93-K109 WeakPolarHBondContact O-CA 3.36Å; Q94-K109 HydrophobicContact CG-CG 4.34Å; K109-Q126 CarbonylContact O-C 3.53Å; K109-Q126 WeakPolarHBondContact O-CA 3.36Å; K109-E127 HydrophobicContact CB-CB 4.49Å; K109-E127 PolarHBondContact N-O 3.1Å; K109-E127 PolarHBondContact O-N 3.1Å
110	L	94.8	Very high	87.9	Confident	9 Å²	9	61.7 Å²	61.7	5%	0.047	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	134.8	175.3	-64.8	79.6	0	0	0	108.7	E92 L93 E108 Y112 L124 T125 Q126	E92-L110 CarbonylContact C-O 3.58Å; E92-L110 WeakPolarHBondContact CA-O 3.45Å; L93-L110 HydrophobicContact CB-CB 4.39Å; L93-L110 HydrophobicContact CD2-CD1 3.95Å; L93-L110 PolarHBondContact N-O 3.18Å; L93-L110 PolarHBondContact O-N 3.45Å; E108-L110 HydrophobicContact CB-CD1 4.32Å; E108-L110 VanDerWaalsContact CD-CD1 3.45Å; E108-L110 HydrophobicContact CG-CD1 3.6Å; L110-Y112 HydrophobicContact CB-CE2 3.96Å; L110-Y112 HydrophobicContact CD2-CE2 4.37Å; L110-L124 HydrophobicContact CB-CD1 3.96Å; L110-L124 HydrophobicContact CD2-CD1 4.14Å; L110-L124 HydrophobicContact CG-CD1 4.31Å; L110-T125 CarbonylContact C-O 3.57Å; L110-T125 WeakPolarHBondContact CA-O 3.46Å; L110-Q126 HydrophobicContact CD2-CG 4.27Å; L110-Q126 HydrophobicContact CG-CG 4.12Å
111	T	95.8	Very high	88.8	Confident	20 Å²	20	62.8 Å²	62.8	12%	0.123	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	124.7	176.1	-54.4	0	0	0	0	109.1	M90 K113 L124 T125	M90-T111 HydrophobicContact CG-CG2 4.42Å; T111-K113 HydrophobicContact CG2-CD 4.34Å; T111-K113 HydrophobicContact CG2-CG 4.16Å; T111-L124 WeakPolarHBondContact O-CA 3.46Å; T111-T125 PolarHBondContact N-O 2.95Å; T111-T125 PolarHBondContact O-N 3.22Å
112	Y	95.3	Very high	89.5	Confident	6 Å²	6	60.1 Å²	60.1	2%	0.024	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	124.3	176.7	-58.7	-101.1	0	0	0	109.5	F10 W14 V17 F91 L110 T122 I123 L124	F10-Y112 HydrophobicContact CE2-CE1 4.07Å; W14-Y112 PolarHBondContact NE1-O 3.05Å; V17-Y112 HydrophobicContact CG1-CD1 3.63Å; V17-Y112 HydrophobicContact CG1-CE1 3.88Å; F91-Y112 HydrophobicContact CB-CD2 4.47Å; F91-Y112 AromaticContact CD1-CD2 3.32Å; F91-Y112 HydrophobicContact CD1-CD2 3.32Å; F91-Y112 AromaticContact CD1-CE2 3.77Å; F91-Y112 HydrophobicContact CD1-CE2 3.77Å; F91-Y112 AromaticContact CD1-CG 3.95Å; F91-Y112 HydrophobicContact CD1-CG 3.95Å; F91-Y112 AromaticContact CE1-CD2 3.9Å; F91-Y112 HydrophobicContact CE1-CD2 3.9Å; F91-Y112 AromaticContact CE1-CE2 3.84Å; F91-Y112 HydrophobicContact CE1-CE2 3.84Å; F91-Y112 HydrophobicContact CG-CD2 4.21Å; F91-Y112 PolarHBondContact N-O 2.9Å; F91-Y112 PolarHBondContact O-N 3.41Å; L110-Y112 HydrophobicContact CB-CE2 3.96Å; L110-Y112 HydrophobicContact CD2-CE2 4.37Å; Y112-T122 HydrophobicContact CD1-CG2 4.39Å; Y112-I123 WeakPolarHBondContact CA-O 3.31Å; Y112-L124 HydrophobicContact CD1-CB 4.05Å; Y112-L124 HydrophobicContact CD1-CD1 3.94Å; Y112-L124 HydrophobicContact CD1-CG 4.45Å; Y112-L124 HydrophobicContact CD2-CD1 4.18Å; Y112-L124 HydrophobicContact CE1-CB 4.06Å; Y112-L124 HydrophobicContact CE1-CD1 3.62Å; Y112-L124 HydrophobicContact CE1-CD2 3.96Å; Y112-L124 HydrophobicContact CE1-CG 4.07Å; Y112-L124 HydrophobicContact CE2-CD1 3.87Å; Y112-L124 HydrophobicContact CG-CD1 4.22Å
113	K	95.4	Very high	90.6	Very high	98 Å²	98	55.8 Å²	55.8	43%	0.426	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	149.5	177.5	-67.6	-177.3	-179	-175.6	0	110.6	M90 T111 T122 I123	M90-K113 HydrophobicContact CG-CG 4.15Å; T111-K113 HydrophobicContact CG2-CD 4.34Å; T111-K113 HydrophobicContact CG2-CG 4.16Å; K113-T122 CarbonylContact O-C 3.59Å; K113-T122 WeakPolarHBondContact O-CA 3.27Å; K113-T122 WeakPolarHBondContact O-CG2 3.42Å; K113-I123 PolarHBondContact N-O 3.21Å; K113-I123 PolarHBondContact O-N 2.85Å
114	P	95.4	Very high	91.6	Very high	37 Å²	37	52.7 Å²	52.7	24%	0.24	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.2	145.4	167.7	-22.3	30.1	0	0	0	111.2	W14 K89	W14-P114 HydrophobicContact CB-CG 3.94Å; W14-P114 HydrophobicContact CG-CG 4.19Å; K89-P114 HydrophobicContact CB-CG 3.7Å; K89-P114 HydrophobicContact CD-CG 3.98Å; K89-P114 WeakPolarHBondContact O-CD 3.19Å
115	H	92.6	Very high	92.5	Very high	36 Å²	36	53.5 Å²	53.5	17%	0.167	28%	0.28	C	S	.	.			trans	-67.1	133.1	173.3	-171.1	-80.8	0	0	0	109.3	E117 D118 K121 I123	H115-E117 IonicContact CE1-OE2 3Å; H115-E117 PolarHBondContact ND1-N 3.08Å; H115-E117 PolarHBondContact O-N 2.7Å; H115-D118 HydrophobicContact CB-CB 4.47Å; H115-D118 WeakPolarHBondContact CB-O 3.41Å; H115-D118 PolarHBondContact ND1-N 2.87Å; H115-D118 CarbonylContact O-C 3.47Å; H115-D118 PolarHBondContact O-N 2.88Å; H115-K121 HydrophobicContact CB-CB 3.84Å; H115-K121 PolarHBondContact N-O 2.97Å; H115-I123 HydrophobicContact CB-CD1 4.24Å; H115-I123 HydrophobicContact CB-CG1 4.08Å
116	P	90.9	Very high	92.9	Very high	113 Å²	113	53.1 Å²	53.1	73%	0.734	28%	0.276	S	S	*	.	S	Bend	trans	-63.4	-28.9	-172.9	24.1	-33.6	0	0	0	113.1
117	E	92.2	Very high	93.2	Very high	171 Å²	171	55.7 Å²	55.7	80%	0.799	29%	0.286	S	S	*	.	S	Bend	trans	-95.7	-19.9	179	-53.5	-178.8	157.4	0	0	113.6	H115	H115-E117 IonicContact CE1-OE2 3Å; H115-E117 PolarHBondContact ND1-N 3.08Å; H115-E117 PolarHBondContact O-N 2.7Å
118	D	91.4	Very high	93.1	Very high	47 Å²	47	52.8 Å²	52.8	25%	0.251	27%	0.271	S	S	.	.			trans	-143.1	93.7	-171.3	-170.7	-6.1	0	0	0	111	H115 E120 K121	H115-D118 HydrophobicContact CB-CB 4.47Å; H115-D118 WeakPolarHBondContact CB-O 3.41Å; H115-D118 PolarHBondContact ND1-N 2.87Å; H115-D118 CarbonylContact O-C 3.47Å; H115-D118 PolarHBondContact O-N 2.88Å; D118-E120 PolarHBondContact O-N 2.68Å; D118-E120 PolarHBondContact OD1-N 3.39Å; D118-K121 HydrophobicContact CB-CB 4.49Å; D118-K121 HydrophobicContact CB-CD 4.28Å; D118-K121 HydrophobicContact CB-CG 4.32Å; D118-K121 PolarHBondContact O-N 3.45Å; D118-K121 WeakPolarHBondContact OD2-CD 3.26Å; D118-K121 VanDerWaalsContact OD2-CE 3.23Å; D118-K121 WeakPolarHBondContact OD2-CE 3.49Å; D118-K121 IonicContact OD2-NZ 3.84Å; D118-K121 PolarHBondContact OD2-NZ 3.23Å
119	P	87.9	Confident	92.9	Very high	90 Å²	90	53.9 Å²	53.9	58%	0.584	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-17.8	-177.3	-25.4	35.2	0	0	0	115	K121	P119-K121 PolarHBondContact O-N 2.81Å
120	E	92.1	Very high	92.4	Very high	125 Å²	125	50.7 Å²	50.7	58%	0.584	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-3.3	176.8	-63.4	-62.4	121.5	0	0	112.8	H12 D118	H12-E120 CarbonylContact C-O 3.59Å; H12-E120 WeakPolarHBondContact CA-O 3.47Å; H12-E120 PolarHBondContact N-O 3.34Å; D118-E120 PolarHBondContact O-N 2.68Å; D118-E120 PolarHBondContact OD1-N 3.39Å
121	K	94	Very high	91.7	Very high	66 Å²	66	51.8 Å²	51.8	29%	0.287	27%	0.272	S	S	.	.	S	Bend	trans	-115.4	150.9	176.7	-62.1	-175.4	179.4	123.2	0	111.1	I9 F10 N11 H12 H115 D118 P119	I9-K121 HydrophobicContact CG2-CB 4.1Å; I9-K121 HydrophobicContact CG2-CD 4.09Å; F10-K121 WeakPolarHBondContact O-CA 3.07Å; N11-K121 VanDerWaalsContact OD1-CE 3.24Å; N11-K121 WeakPolarHBondContact OD1-CE 3.27Å; H12-K121 CarbonylContact O-C 3.25Å; H115-K121 HydrophobicContact CB-CB 3.84Å; H115-K121 PolarHBondContact N-O 2.97Å; D118-K121 HydrophobicContact CB-CB 4.49Å; D118-K121 HydrophobicContact CB-CD 4.28Å; D118-K121 HydrophobicContact CB-CG 4.32Å; D118-K121 PolarHBondContact O-N 3.45Å; D118-K121 WeakPolarHBondContact OD2-CD 3.26Å; D118-K121 VanDerWaalsContact OD2-CE 3.23Å; D118-K121 WeakPolarHBondContact OD2-CE 3.49Å; D118-K121 IonicContact OD2-NZ 3.84Å; D118-K121 PolarHBondContact OD2-NZ 3.23Å; P119-K121 PolarHBondContact O-N 2.81Å
122	T	94.9	Very high	90.7	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	125.8	177.8	-54.7	0	0	0	0	110.2	I9 F10 H12 W14 V17 Y112 K113	I9-T122 WeakPolarHBondContact CA-O 3.33Å; F10-T122 PolarHBondContact N-O 2.94Å; F10-T122 PolarHBondContact O-N 2.9Å; H12-T122 PolarHBondContact O-N 3.39Å; H12-T122 PolarHBondContact O-OG1 3.34Å; W14-T122 WeakPolarHBondContact CA-OG1 3.43Å; W14-T122 PolarHBondContact N-OG1 3.24Å; W14-T122 VanDerWaalsContact N-OG1 3.16Å; V17-T122 HydrophobicContact CB-CG2 4.23Å; V17-T122 HydrophobicContact CG1-CG2 4.1Å; V17-T122 HydrophobicContact CG2-CG2 4.36Å; Y112-T122 HydrophobicContact CD1-CG2 4.39Å; K113-T122 CarbonylContact O-C 3.59Å; K113-T122 WeakPolarHBondContact O-CA 3.27Å; K113-T122 WeakPolarHBondContact O-CG2 3.42Å
123	I	95.6	Very high	89.7	Confident	27 Å²	27	57 Å²	57	14%	0.138	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	125.9	170.7	-58.1	174.7	0	0	0	108.3	E7 I9 Y112 K113 H115	E7-I123 HydrophobicContact CG-CG2 3.89Å; I9-I123 HydrophobicContact CG1-CG1 4.46Å; Y112-I123 WeakPolarHBondContact CA-O 3.31Å; K113-I123 PolarHBondContact N-O 3.21Å; K113-I123 PolarHBondContact O-N 2.85Å; H115-I123 HydrophobicContact CB-CD1 4.24Å; H115-I123 HydrophobicContact CB-CG1 4.08Å
124	L	94.6	Very high	88.2	Confident	4 Å²	4	56.5 Å²	56.5	2%	0.021	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	117.2	166.9	166	59.2	0	0	0	108.9	E7 H8 F10 L110 T111 Y112 Q126	E7-L124 CarbonylContact C-O 3.55Å; E7-L124 WeakPolarHBondContact CA-O 3.47Å; H8-L124 PolarHBondContact N-O 2.85Å; H8-L124 PolarHBondContact O-N 2.79Å; F10-L124 HydrophobicContact CD2-CB 4.13Å; F10-L124 HydrophobicContact CE2-CB 3.72Å; F10-L124 HydrophobicContact CE2-CD2 3.61Å; F10-L124 HydrophobicContact CE2-CG 4.29Å; F10-L124 HydrophobicContact CZ-CD2 4.07Å; L110-L124 HydrophobicContact CB-CD1 3.96Å; L110-L124 HydrophobicContact CD2-CD1 4.14Å; L110-L124 HydrophobicContact CG-CD1 4.31Å; T111-L124 WeakPolarHBondContact O-CA 3.46Å; Y112-L124 HydrophobicContact CD1-CB 4.05Å; Y112-L124 HydrophobicContact CD1-CD1 3.94Å; Y112-L124 HydrophobicContact CD1-CG 4.45Å; Y112-L124 HydrophobicContact CD2-CD1 4.18Å; Y112-L124 HydrophobicContact CE1-CB 4.06Å; Y112-L124 HydrophobicContact CE1-CD1 3.62Å; Y112-L124 HydrophobicContact CE1-CD2 3.96Å; Y112-L124 HydrophobicContact CE1-CG 4.07Å; Y112-L124 HydrophobicContact CE2-CD1 3.87Å; Y112-L124 HydrophobicContact CG-CD1 4.22Å; L124-Q126 HydrophobicContact CD1-CG 3.76Å; L124-Q126 HydrophobicContact CD2-CG 3.87Å; L124-Q126 HydrophobicContact CG-CG 3.7Å
125	T	94.1	Very high	86.7	Confident	50 Å²	50	57.2 Å²	57.2	31%	0.307	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	123.7	167.4	-48	0	0	0	0	108.8	L110 T111	L110-T125 CarbonylContact C-O 3.57Å; L110-T125 WeakPolarHBondContact CA-O 3.46Å; T111-T125 PolarHBondContact N-O 2.95Å; T111-T125 PolarHBondContact O-N 3.22Å
126	Q	92.4	Very high	85	Confident	9 Å²	9	61.6 Å²	61.6	4%	0.042	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	132.3	177.5	-54.6	-175.4	-100.1	0	0	109.5	W4 T5 S6 E108 K109 L110 L124	W4-Q126 HydrophobicContact CZ3-CB 3.93Å; T5-Q126 CarbonylContact C-O 3.49Å; T5-Q126 VanDerWaalsContact CA-O 3.27Å; T5-Q126 WeakPolarHBondContact CA-O 3.38Å; S6-Q126 PolarHBondContact N-O 2.81Å; S6-Q126 PolarHBondContact O-N 2.84Å; E108-Q126 PolarHBondContact OE1-NE2 2.84Å; K109-Q126 CarbonylContact O-C 3.53Å; K109-Q126 WeakPolarHBondContact O-CA 3.36Å; L110-Q126 HydrophobicContact CD2-CG 4.27Å; L110-Q126 HydrophobicContact CG-CG 4.12Å; L124-Q126 HydrophobicContact CD1-CG 3.76Å; L124-Q126 HydrophobicContact CD2-CG 3.87Å; L124-Q126 HydrophobicContact CG-CG 3.7Å
127	E	91.8	Very high	83.8	Confident	82 Å²	82	61.3 Å²	61.3	38%	0.383	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	130.6	175.7	-55.3	-177.3	108.4	0	0	108.1	W4 T5 E108 K109	W4-E127 CarbonylContact O-C 3.53Å; W4-E127 WeakPolarHBondContact O-CA 3.33Å; T5-E127 HydrophobicContact CG2-CB 4.42Å; T5-E127 HydrophobicContact CG2-CG 4.06Å; E108-E127 CarbonylContact C-O 3.58Å; E108-E127 WeakPolarHBondContact CA-O 3.44Å; K109-E127 HydrophobicContact CB-CB 4.49Å; K109-E127 PolarHBondContact N-O 3.1Å; K109-E127 PolarHBondContact O-N 3.1Å
128	A	87.9	Confident	82.6	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	129	178.2	0	0	0	0	0	110.1	I3 W4 D107 E108 I149	I3-A128 WeakPolarHBondContact CA-O 3.39Å; W4-A128 HydrophobicContact CB-CB 4.43Å; W4-A128 HydrophobicContact CE3-CB 4.19Å; W4-A128 PolarHBondContact N-O 2.67Å; W4-A128 PolarHBondContact O-N 2.88Å; D107-A128 CarbonylContact O-C 3.53Å; D107-A128 WeakPolarHBondContact O-CA 3.41Å; E108-A128 HydrophobicContact CG-CB 4.21Å; A128-I149 HydrophobicContact CB-CD1 4.11Å; A128-I149 HydrophobicContact CB-CG2 4.07Å
129	I	87.2	Confident	81.6	Confident	74 Å²	74	57.6 Å²	57.6	38%	0.379	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	117.8	176.1	-56.4	176.1	0	0	0	107.7	M1 V106 D107	M1-I129 HydrophobicContact CG-CG2 4.06Å; M1-I129 HydrophobicContact SD-CG2 4.27Å; V106-I129 WeakPolarHBondContact CA-O 3.4Å; D107-I129 HydrophobicContact CB-CB 4.5Å; D107-I129 PolarHBondContact N-O 3.09Å; D107-I129 PolarHBondContact O-N 2.83Å
130	I	83.2	Confident	80.8	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	123.3	177.7	-48.1	172.6	0	0	0	108.5	M1 K2 V104 V132 M145 A146 I149	M1-I130 VanDerWaalsContact CA-O 3.31Å; M1-I130 WeakPolarHBondContact CA-O 3.44Å; K2-I130 PolarHBondContact N-O 2.84Å; K2-I130 PolarHBondContact O-N 3.09Å; V104-I130 HydrophobicContact CG1-CG2 4.47Å; I130-V132 HydrophobicContact CG2-CG2 4.35Å; I130-M145 HydrophobicContact CD1-CB 4.1Å; I130-M145 HydrophobicContact CG2-CB 4.12Å; I130-A146 HydrophobicContact CD1-CB 3.97Å; I130-I149 HydrophobicContact CD1-CD1 3.48Å; I130-I149 VanDerWaalsContact CD1-CD1 3.48Å; I130-I149 HydrophobicContact CD1-CG1 4.42Å; I130-I149 HydrophobicContact CG1-CD1 3.59Å
131	S	81.2	Confident	79.8	Confident	32 Å²	32	54.8 Å²	54.8	22%	0.224	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	114.9	177.2	-168.5	0	0	0	0	110	V104 S105	V104-S131 WeakPolarHBondContact CA-O 3.37Å; S105-S131 PolarHBondContact N-O 3.23Å; S105-S131 PolarHBondContact O-N 2.92Å
132	V	75.4	Confident	78.7	Confident	17 Å²	17	53 Å²	53	10%	0.103	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	126.8	176.8	179.5	0	0	0	0	108.7	V104 I130 V135 E142	V104-V132 HydrophobicContact CG1-CG2 4.26Å; V104-V132 HydrophobicContact CG2-CG1 4.49Å; V104-V132 HydrophobicContact CG2-CG2 4.26Å; I130-V132 HydrophobicContact CG2-CG2 4.35Å; V132-V135 HydrophobicContact CG1-CG2 3.28Å; V132-E142 HydrophobicContact CB-CG 4.13Å; V132-E142 HydrophobicContact CG2-CG 3.62Å
133	K	73.6	Confident	77.6	Confident	118 Å²	118	54.4 Å²	54.4	51%	0.513	33%	0.325	S	S	.	.			trans	-120.2	142.5	-176.7	-63.3	178.5	-175.8	171.8	0	110.5	M103 V135	M103-K133 PolarHBondContact O-N 2.75Å; K133-V135 PolarHBondContact O-N 2.85Å
134	G	63.7	Low	76.6	Confident	88 Å²	88	55.1 Å²	55.1	91%	0.907	33%	0.331	S	S	*	.	S	Bend	trans	78.4	13.1	166.3	0	0	0	0	0	117.2
135	V	63.8	Low	75.6	Confident	53 Å²	53	56.6 Å²	56.6	32%	0.321	34%	0.338	S	S	.	.			trans	-128.2	136.8	178.8	-68.7	0	0	0	0	112	V132 K133 L137 S138 L141	V132-V135 HydrophobicContact CG1-CG2 3.28Å; K133-V135 PolarHBondContact O-N 2.85Å; V135-L137 PolarHBondContact O-N 2.99Å; V135-S138 PolarHBondContact O-N 2.88Å; V135-L141 HydrophobicContact CB-CD1 4.33Å; V135-L141 HydrophobicContact CG2-CD1 3.7Å
136	S	57.4	Low	74.6	Confident	127 Å²	127	54.6 Å²	54.6	89%	0.888	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-11.6	-177.9	50.1	0	0	0	0	114.4
137	L	65.1	Low	73.8	Confident	108 Å²	108	59.5 Å²	59.5	57%	0.565	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.8	32.7	177.2	-66.1	170.6	0	0	0	112.4	V135 S139 Y140 L141	V135-L137 PolarHBondContact O-N 2.99Å; L137-S139 VanDerWaalsContact C-N 3.29Å; L137-S139 PolarHBondContact O-N 2.79Å; L137-Y140 PolarHBondContact O-N 3.33Å; L137-L141 PolarHBondContact O-N 2.79Å; L137-L141 VanDerWaalsContact O-N 3.14Å
138	S	67.1	Low	73	Confident	48 Å²	48	57.2 Å²	57.2	34%	0.336	35%	0.345	S	S	.	.	H	α-helix	trans	-52	-43.4	-174.7	55.7	0	0	0	0	113.2	V135 Y140 L141 E142	V135-S138 PolarHBondContact O-N 2.88Å; S138-Y140 PolarHBondContact O-N 2.89Å; S138-L141 PolarHBondContact O-N 2.97Å; S138-E142 VanDerWaalsContact O-CB 3.3Å; S138-E142 WeakPolarHBondContact O-CB 3.38Å; S138-E142 WeakPolarHBondContact O-CG 3.32Å; S138-E142 PolarHBondContact O-N 2.81Å
139	S	70.8	Confident	72.5	Confident	92 Å²	92	58 Å²	58	64%	0.643	35%	0.349	S	S	*	.	H	α-helix	trans	-66.5	-38.5	-178.6	59.5	0	0	0	0	114.1	L137 G143	L137-S139 VanDerWaalsContact C-N 3.29Å; L137-S139 PolarHBondContact O-N 2.79Å; S139-G143 PolarHBondContact O-N 3.22Å
140	Y	72.1	Confident	72	Confident	136 Å²	136	57.1 Å²	57.1	53%	0.533	35%	0.35	S	S	.	.	H	α-helix	trans	-68.6	-45.5	177.2	178.9	-100.9	0	0	0	110.9	I64 L137 S138 G143 V144	I64-Y140 HydrophobicContact CD1-CE1 3.85Å; L137-Y140 PolarHBondContact O-N 3.33Å; S138-Y140 PolarHBondContact O-N 2.89Å; Y140-G143 WeakPolarHBondContact O-CA 3.45Å; Y140-G143 PolarHBondContact O-N 3.4Å; Y140-G143 VanDerWaalsContact O-N 3.12Å; Y140-V144 HydrophobicContact CD1-CG2 4.3Å; Y140-V144 HydrophobicContact CE1-CG2 3.88Å; Y140-V144 HydrophobicContact CE2-CG2 4.48Å; Y140-V144 WeakPolarHBondContact O-CG2 3.03Å; Y140-V144 PolarHBondContact O-N 2.76Å
141	L	69.2	Low	71.8	Confident	20 Å²	20	60.5 Å²	60.5	11%	0.105	37%	0.37	C	S	.	.	H	α-helix	trans	-64.9	-41	177.3	-71.1	170.3	0	0	0	111.8	I64 V65 V135 L137 S138 G143 V144 M145	I64-L141 HydrophobicContact CG2-CD2 4.22Å; V65-L141 HydrophobicContact CG2-CD2 4.26Å; V135-L141 HydrophobicContact CB-CD1 4.33Å; V135-L141 HydrophobicContact CG2-CD1 3.7Å; L137-L141 PolarHBondContact O-N 2.79Å; L137-L141 VanDerWaalsContact O-N 3.14Å; S138-L141 PolarHBondContact O-N 2.97Å; L141-G143 VanDerWaalsContact C-N 3.25Å; L141-G143 PolarHBondContact O-N 2.78Å; L141-V144 PolarHBondContact O-N 3.13Å; L141-M145 WeakPolarHBondContact O-CB 3.05Å; L141-M145 VanDerWaalsContact O-CG 3.25Å; L141-M145 WeakPolarHBondContact O-CG 3.34Å; L141-M145 PolarHBondContact O-N 3.23Å
142	E	71.8	Confident	71.7	Confident	29 Å²	29	61.7 Å²	61.7	14%	0.136	37%	0.374	C	S	.	.	H	α-helix	trans	-58.5	-38.4	171.4	-77.4	179	173.1	0	0	111.6	M1 V132 S138 A146	M1-E142 PolarHBondContact N-OE1 3.26Å; V132-E142 HydrophobicContact CB-CG 4.13Å; V132-E142 HydrophobicContact CG2-CG 3.62Å; S138-E142 VanDerWaalsContact O-CB 3.3Å; S138-E142 WeakPolarHBondContact O-CB 3.38Å; S138-E142 WeakPolarHBondContact O-CG 3.32Å; S138-E142 PolarHBondContact O-N 2.81Å; E142-A146 VanDerWaalsContact O-CB 3.25Å; E142-A146 WeakPolarHBondContact O-CB 3.49Å; E142-A146 PolarHBondContact O-N 2.78Å
143	G	72.9	Confident	71.8	Confident	28 Å²	28	61.1 Å²	61.1	29%	0.289	37%	0.371	S	S	.	.	H	α-helix	trans	-63.3	-49.3	174.4	0	0	0	0	0	113.3	S139 Y140 L141 A146 N147	S139-G143 PolarHBondContact O-N 3.22Å; Y140-G143 WeakPolarHBondContact O-CA 3.45Å; Y140-G143 PolarHBondContact O-N 3.4Å; Y140-G143 VanDerWaalsContact O-N 3.12Å; L141-G143 VanDerWaalsContact C-N 3.25Å; L141-G143 PolarHBondContact O-N 2.78Å; G143-A146 PolarHBondContact O-N 2.89Å; G143-N147 PolarHBondContact O-N 3.42Å; G143-N147 VanDerWaalsContact O-N 3.1Å
144	V	73.9	Confident	72.3	Confident	43 Å²	43	56.9 Å²	56.9	26%	0.261	36%	0.361	S	S	.	.	H	α-helix	trans	-61.1	-47.5	177.5	174	0	0	0	0	110.7	P62 Y140 L141 A146 N147 T148	P62-V144 HydrophobicContact CG-CG1 4.44Å; Y140-V144 HydrophobicContact CD1-CG2 4.3Å; Y140-V144 HydrophobicContact CE1-CG2 3.88Å; Y140-V144 HydrophobicContact CE2-CG2 4.48Å; Y140-V144 WeakPolarHBondContact O-CG2 3.03Å; Y140-V144 PolarHBondContact O-N 2.76Å; L141-V144 PolarHBondContact O-N 3.13Å; V144-A146 PolarHBondContact O-N 3.31Å; V144-N147 PolarHBondContact O-N 3.21Å; V144-T148 PolarHBondContact O-N 2.9Å; V144-T148 PolarHBondContact O-OG1 2.78Å
145	M	72.3	Confident	73.4	Confident	34 Å²	34	56.7 Å²	56.7	17%	0.167	34%	0.335	C	S	.	.	H	α-helix	trans	-62.7	-42.8	179.4	-70.7	-62.2	-71.1	0	0	111.9	W59 V104 V106 I130 L141 N147 T148 I149	W59-M145 HydrophobicContact CH2-SD 4.22Å; V104-M145 HydrophobicContact CG1-CE 4.1Å; V106-M145 HydrophobicContact CG2-CE 3.99Å; I130-M145 HydrophobicContact CD1-CB 4.1Å; I130-M145 HydrophobicContact CG2-CB 4.12Å; L141-M145 WeakPolarHBondContact O-CB 3.05Å; L141-M145 VanDerWaalsContact O-CG 3.25Å; L141-M145 WeakPolarHBondContact O-CG 3.34Å; L141-M145 PolarHBondContact O-N 3.23Å; M145-N147 VanDerWaalsContact C-N 3.3Å; M145-N147 PolarHBondContact O-N 3.16Å; M145-T148 PolarHBondContact O-N 2.86Å; M145-T148 VanDerWaalsContact O-N 3.13Å; M145-I149 WeakPolarHBondContact O-CG1 3.48Å; M145-I149 PolarHBondContact O-N 3.28Å
146	A	73.4	Confident	74.4	Confident	8 Å²	8	54.7 Å²	54.7	7%	0.066	33%	0.325	C	S	.	.	H	α-helix	trans	-60.9	-39.7	175.9	0	0	0	0	0	112.2	K2 I130 E142 G143 V144 T148 I149 S150	K2-A146 HydrophobicContact CD-CB 4.01Å; I130-A146 HydrophobicContact CD1-CB 3.97Å; E142-A146 VanDerWaalsContact O-CB 3.25Å; E142-A146 WeakPolarHBondContact O-CB 3.49Å; E142-A146 PolarHBondContact O-N 2.78Å; G143-A146 PolarHBondContact O-N 2.89Å; V144-A146 PolarHBondContact O-N 3.31Å; A146-T148 VanDerWaalsContact C-N 3.31Å; A146-T148 PolarHBondContact O-N 2.88Å; A146-I149 PolarHBondContact O-N 2.9Å; A146-S150 PolarHBondContact O-N 2.78Å
147	N	76.4	Confident	75.8	Confident	112 Å²	112	51.4 Å²	51.4	60%	0.599	29%	0.293	S	S	*	.	H	α-helix	trans	-66.7	-36	176.2	-161.5	31.7	0	0	0	111.7	G143 V144 M145 T151	G143-N147 PolarHBondContact O-N 3.42Å; G143-N147 VanDerWaalsContact O-N 3.1Å; V144-N147 PolarHBondContact O-N 3.21Å; M145-N147 VanDerWaalsContact C-N 3.3Å; M145-N147 PolarHBondContact O-N 3.16Å; N147-T151 PolarHBondContact O-N 2.76Å; N147-T151 PolarHBondContact O-OG1 3.49Å
148	T	75.1	Confident	77	Confident	35 Å²	35	51.4 Å²	51.4	22%	0.215	29%	0.29	C	S	.	.	H	α-helix	trans	-69.6	-39.4	175.2	-46.5	0	0	0	0	112.6	W59 V144 M145 A146 T151 N152	W59-T148 HydrophobicContact CH2-CG2 4.1Å; W59-T148 HydrophobicContact CZ2-CG2 3.47Å; W59-T148 VanDerWaalsContact CZ2-CG2 3.47Å; V144-T148 PolarHBondContact O-N 2.9Å; V144-T148 PolarHBondContact O-OG1 2.78Å; M145-T148 PolarHBondContact O-N 2.86Å; M145-T148 VanDerWaalsContact O-N 3.13Å; A146-T148 VanDerWaalsContact C-N 3.31Å; A146-T148 PolarHBondContact O-N 2.88Å; T148-T151 PolarHBondContact O-N 2.8Å; T148-N152 WeakPolarHBondContact O-CB 3.38Å; T148-N152 PolarHBondContact O-N 2.76Å; T148-N152 PolarHBondContact O-ND2 2.8Å
149	I	76.5	Confident	78	Confident	16 Å²	16	49.1 Å²	49.1	8%	0.082	27%	0.274	C	S	.	.	H	α-helix	trans	-62	-44.8	173.9	-68.9	-177.4	0	0	0	110.6	W4 V106 A128 I130 M145 A146 T151 N152 A153	W4-I149 HydrophobicContact CD2-CG2 4.29Å; W4-I149 HydrophobicContact CE3-CG2 3.98Å; W4-I149 HydrophobicContact CZ3-CG2 4.28Å; V106-I149 HydrophobicContact CG1-CD1 3.69Å; A128-I149 HydrophobicContact CB-CD1 4.11Å; A128-I149 HydrophobicContact CB-CG2 4.07Å; I130-I149 HydrophobicContact CD1-CD1 3.48Å; I130-I149 VanDerWaalsContact CD1-CD1 3.48Å; I130-I149 HydrophobicContact CD1-CG1 4.42Å; I130-I149 HydrophobicContact CG1-CD1 3.59Å; M145-I149 WeakPolarHBondContact O-CG1 3.48Å; M145-I149 PolarHBondContact O-N 3.28Å; A146-I149 PolarHBondContact O-N 2.9Å; I149-T151 VanDerWaalsContact C-N 3.31Å; I149-T151 PolarHBondContact O-N 2.8Å; I149-N152 CarbonylContact O-C 3.59Å; I149-N152 PolarHBondContact O-N 3.33Å; I149-N152 VanDerWaalsContact O-N 3.13Å; I149-A153 WeakPolarHBondContact O-CB 3.39Å; I149-A153 PolarHBondContact O-N 3.33Å
150	S	77.8	Confident	79	Confident	56 Å²	56	44.8 Å²	44.8	39%	0.392	24%	0.244	S	C	.	.	H	α-helix	trans	-56.9	-45.3	175.2	-174.1	0	0	0	0	111.9	A146 N152 A153 G154	A146-S150 PolarHBondContact O-N 2.78Å; S150-N152 PolarHBondContact O-N 2.81Å; S150-A153 PolarHBondContact O-N 3.49Å; S150-G154 PolarHBondContact O-N 3.13Å
151	T	78.3	Confident	79.9	Confident	70 Å²	70	40.6 Å²	40.6	43%	0.429	23%	0.229	S	C	.	.	H	α-helix	trans	-63.1	-42.2	175.8	-55.7	0	0	0	0	111.9	N147 T148 I149 A153 G154 K155	N147-T151 PolarHBondContact O-N 2.76Å; N147-T151 PolarHBondContact O-OG1 3.49Å; T148-T151 PolarHBondContact O-N 2.8Å; I149-T151 VanDerWaalsContact C-N 3.31Å; I149-T151 PolarHBondContact O-N 2.8Å; T151-A153 VanDerWaalsContact C-N 3.35Å; T151-G154 PolarHBondContact O-N 2.84Å; T151-K155 PolarHBondContact O-N 3.49Å; T151-K155 VanDerWaalsContact O-N 3.13Å
152	N	78.4	Confident	80.9	Confident	58 Å²	58	44.3 Å²	44.3	31%	0.31	24%	0.242	S	C	.	.	H	α-helix	trans	-68	-33.5	178.4	-72.4	-13.7	0	0	0	112.2	T148 I149 S150 G154 K155 G156	T148-N152 WeakPolarHBondContact O-CB 3.38Å; T148-N152 PolarHBondContact O-N 2.76Å; T148-N152 PolarHBondContact O-ND2 2.8Å; I149-N152 CarbonylContact O-C 3.59Å; I149-N152 PolarHBondContact O-N 3.33Å; I149-N152 VanDerWaalsContact O-N 3.13Å; S150-N152 PolarHBondContact O-N 2.81Å; N152-G154 VanDerWaalsContact C-N 3.34Å; N152-K155 PolarHBondContact O-N 2.85Å; N152-G156 PolarHBondContact O-N 3.37Å
153	A	79.1	Confident	81.9	Confident	5 Å²	5	43 Å²	43	4%	0.041	24%	0.235	C	C	.	.	H	α-helix	trans	-63.2	-42.1	173.8	0	0	0	0	0	111.1	W4 I149 S150 T151 G156 R157	W4-A153 HydrophobicContact CH2-CB 3.44Å; W4-A153 VanDerWaalsContact CH2-CB 3.44Å; W4-A153 HydrophobicContact CZ2-CB 4.14Å; W4-A153 HydrophobicContact CZ3-CB 4.2Å; I149-A153 WeakPolarHBondContact O-CB 3.39Å; I149-A153 PolarHBondContact O-N 3.33Å; S150-A153 PolarHBondContact O-N 3.49Å; T151-A153 VanDerWaalsContact C-N 3.35Å; A153-G156 PolarHBondContact O-N 3.28Å; A153-R157 WeakPolarHBondContact O-CG 3.18Å; A153-R157 PolarHBondContact O-N 2.87Å
154	G	83.8	Confident	82.7	Confident	28 Å²	28	41.6 Å²	41.6	29%	0.289	22%	0.222	S	C	.	.	H	α-helix	trans	-57.7	-52.6	172.3	0	0	0	0	0	112.5	S150 T151 N152 G156 R157 E158	S150-G154 PolarHBondContact O-N 3.13Å; T151-G154 PolarHBondContact O-N 2.84Å; N152-G154 VanDerWaalsContact C-N 3.34Å; G154-G156 PolarHBondContact O-N 2.79Å; G154-R157 WeakPolarHBondContact O-CB 3.49Å; G154-R157 PolarHBondContact O-N 2.92Å; G154-R157 VanDerWaalsContact O-N 3.09Å; G154-E158 PolarHBondContact O-N 2.8Å; G154-E158 VanDerWaalsContact O-N 3.1Å
155	K	85.8	Confident	83.5	Confident	85 Å²	85	48.1 Å²	48.1	37%	0.37	24%	0.241	S	C	.	.	H	α-helix	trans	-58.8	-35	175.1	-67.9	178	178.4	-178.1	0	112.8	T151 N152 A159	T151-K155 PolarHBondContact O-N 3.49Å; T151-K155 VanDerWaalsContact O-N 3.13Å; N152-K155 PolarHBondContact O-N 2.85Å; K155-A159 VanDerWaalsContact O-CB 3.25Å; K155-A159 WeakPolarHBondContact O-CB 3.33Å; K155-A159 PolarHBondContact O-N 2.98Å
156	G	84.6	Confident	84.4	Confident	10 Å²	10	50.2 Å²	50.2	10%	0.103	25%	0.248	C	C	.	.	H	α-helix	trans	-62.7	-41.5	176.4	0	0	0	0	0	112.3	N152 A153 G154 M160	N152-G156 PolarHBondContact O-N 3.37Å; A153-G156 PolarHBondContact O-N 3.28Å; G154-G156 PolarHBondContact O-N 2.79Å; G156-M160 VanDerWaalsContact O-CG 3.26Å; G156-M160 WeakPolarHBondContact O-CG 3.27Å; G156-M160 PolarHBondContact O-N 2.85Å; G156-M160 VanDerWaalsContact O-N 3.08Å
157	R	88.4	Confident	85.1	Confident	58 Å²	58	49.9 Å²	49.9	22%	0.219	25%	0.245	C	C	.	.	H	α-helix	trans	-67.7	-45.8	176.9	-65.6	165.2	-166.2	-178.1	0.4	111.5	S6 F10 A153 G154 A159 M160 E161	S6-R157 PolarHBondContact OG-NH2 3.04Å; F10-R157 HydrophobicContact CZ-CG 4.4Å; A153-R157 WeakPolarHBondContact O-CG 3.18Å; A153-R157 PolarHBondContact O-N 2.87Å; G154-R157 WeakPolarHBondContact O-CB 3.49Å; G154-R157 PolarHBondContact O-N 2.92Å; G154-R157 VanDerWaalsContact O-N 3.09Å; R157-A159 VanDerWaalsContact C-N 3.33Å; R157-A159 PolarHBondContact O-N 3.27Å; R157-M160 WeakPolarHBondContact O-CB 3.45Å; R157-M160 PolarHBondContact O-N 3.02Å; R157-E161 PolarHBondContact O-N 2.63Å
158	E	88.9	Confident	85.8	Confident	108 Å²	108	46.8 Å²	46.8	51%	0.505	23%	0.228	S	C	.	.	H	α-helix	trans	-62.4	-40.7	176.8	-69.3	177.2	-172.5	0	0	112.3	M29 G154 M160 E161 W162	M29-E158 HydrophobicContact CE-CB 4.2Å; M29-E158 HydrophobicContact CG-CB 4.01Å; M29-E158 HydrophobicContact SD-CB 4.47Å; G154-E158 PolarHBondContact O-N 2.8Å; G154-E158 VanDerWaalsContact O-N 3.1Å; E158-M160 VanDerWaalsContact C-N 3.34Å; E158-M160 PolarHBondContact O-N 2.75Å; E158-E161 PolarHBondContact O-N 3.03Å; E158-W162 WeakPolarHBondContact O-CB 3.43Å; E158-W162 PolarHBondContact O-N 3.45Å
159	A	88.8	Confident	86.4	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-61.1	-43.5	174.5	0	0	0	0	0	111.9	N27 M29 K155 R157 W162 V163	N27-A159 HydrophobicContact CB-CB 4.14Å; N27-A159 WeakPolarHBondContact OD1-CB 3.25Å; M29-A159 HydrophobicContact CB-CB 4.23Å; M29-A159 HydrophobicContact CG-CB 4.43Å; K155-A159 VanDerWaalsContact O-CB 3.25Å; K155-A159 WeakPolarHBondContact O-CB 3.33Å; K155-A159 PolarHBondContact O-N 2.98Å; R157-A159 VanDerWaalsContact C-N 3.33Å; R157-A159 PolarHBondContact O-N 3.27Å; A159-W162 PolarHBondContact O-N 2.75Å; A159-V163 WeakPolarHBondContact O-CG2 3.33Å; A159-V163 PolarHBondContact O-N 3.44Å
160	M	90.9	Very high	87	Confident	1 Å²	1	50.7 Å²	50.7	1%	0.005	25%	0.253	C	S	.	.	H	α-helix	trans	-61.2	-48.6	177.1	-75.8	-65.5	-62.3	0	0	111.5	F10 V17 A20 A21 K24 G156 R157 E158 W162 V163 I164	F10-M160 HydrophobicContact CE1-CB 3.84Å; F10-M160 HydrophobicContact CZ-CB 4.01Å; F10-M160 HydrophobicContact CZ-CG 4.25Å; V17-M160 HydrophobicContact CG1-CE 3.83Å; V17-M160 WeakPolarHBondContact O-CE 3.35Å; A20-M160 HydrophobicContact CB-CE 3.76Å; A20-M160 HydrophobicContact CB-SD 4.44Å; A21-M160 HydrophobicContact CB-CE 3.86Å; A21-M160 HydrophobicContact CB-SD 4.04Å; K24-M160 HydrophobicContact CB-SD 4.48Å; K24-M160 HydrophobicContact CD-SD 4.3Å; K24-M160 HydrophobicContact CG-SD 4.37Å; G156-M160 VanDerWaalsContact O-CG 3.26Å; G156-M160 WeakPolarHBondContact O-CG 3.27Å; G156-M160 PolarHBondContact O-N 2.85Å; G156-M160 VanDerWaalsContact O-N 3.08Å; R157-M160 WeakPolarHBondContact O-CB 3.45Å; R157-M160 PolarHBondContact O-N 3.02Å; E158-M160 VanDerWaalsContact C-N 3.34Å; E158-M160 PolarHBondContact O-N 2.75Å; M160-W162 VanDerWaalsContact C-N 3.29Å; M160-W162 PolarHBondContact O-N 2.82Å; M160-V163 PolarHBondContact O-N 3Å; M160-I164 WeakPolarHBondContact O-CB 3.45Å; M160-I164 VanDerWaalsContact O-CG1 3.22Å; M160-I164 WeakPolarHBondContact O-CG1 3.41Å; M160-I164 PolarHBondContact O-N 2.87Å
161	E	91.2	Very high	87.4	Confident	49 Å²	49	51.8 Å²	51.8	23%	0.229	25%	0.253	C	S	.	.	H	α-helix	trans	-59	-40.5	176.4	-75.6	-65	159.7	0	0	112.3	H12 R157 E158 I164 R165	H12-E161 IonicContact CD2-OE1 2.81Å; H12-E161 IonicContact CD2-OE2 3.74Å; H12-E161 IonicContact CE1-OE2 3.9Å; H12-E161 IonicContact NE2-OE1 2.87Å; H12-E161 PolarHBondContact NE2-OE1 2.82Å; H12-E161 IonicContact NE2-OE2 2.7Å; H12-E161 PolarHBondContact NE2-OE2 3.36Å; R157-E161 PolarHBondContact O-N 2.63Å; E158-E161 PolarHBondContact O-N 3.03Å; E161-I164 PolarHBondContact O-N 3.47Å; E161-R165 VanDerWaalsContact O-CG 3.31Å; E161-R165 WeakPolarHBondContact O-CG 3.39Å; E161-R165 PolarHBondContact O-N 2.78Å
162	W	91.6	Very high	87.8	Confident	98 Å²	98	54.9 Å²	54.9	37%	0.371	26%	0.263	S	S	.	.	H	α-helix	trans	-62.8	-45.3	176	-178.2	87.4	0	0	0	112.2	N27 P28 E158 A159 M160 R165 R166	N27-W162 HydrophobicContact CB-CE3 4.25Å; N27-W162 HydrophobicContact CB-CZ3 4.43Å; P28-W162 HydrophobicContact CG-CD2 4.21Å; P28-W162 HydrophobicContact CG-CG 4.38Å; E158-W162 WeakPolarHBondContact O-CB 3.43Å; E158-W162 PolarHBondContact O-N 3.45Å; A159-W162 PolarHBondContact O-N 2.75Å; M160-W162 VanDerWaalsContact C-N 3.29Å; M160-W162 PolarHBondContact O-N 2.82Å; W162-R165 PolarHBondContact O-N 2.99Å; W162-R166 PolarHBondContact O-N 2.8Å; W162-R166 VanDerWaalsContact O-N 3.08Å
163	V	91.1	Very high	88.3	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-65.9	-40	177.7	175.8	0	0	0	0	111.2	A20 Q23 A159 M160 R165 R166 L167	A20-V163 HydrophobicContact CB-CB 4.28Å; A20-V163 HydrophobicContact CB-CG1 3.83Å; Q23-V163 HydrophobicContact CB-CG1 4.3Å; A159-V163 WeakPolarHBondContact O-CG2 3.33Å; A159-V163 PolarHBondContact O-N 3.44Å; M160-V163 PolarHBondContact O-N 3Å; V163-R165 PolarHBondContact O-N 2.95Å; V163-R166 WeakPolarHBondContact O-CB 3.48Å; V163-R166 PolarHBondContact O-N 2.78Å; V163-L167 HydrophobicContact CG1-CD1 4.05Å; V163-L167 HydrophobicContact CG1-CG 4.32Å; V163-L167 WeakPolarHBondContact O-CG 3.4Å; V163-L167 PolarHBondContact O-N 2.99Å
164	I	90.7	Very high	88.7	Confident	0 Å²	0	64.2 Å²	64.2	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-60.8	-46.5	177	-69.8	166.1	0	0	0	110.7	H12 M16 V17 A20 M160 E161 R166 L167 N168	H12-I164 HydrophobicContact CB-CD1 4.39Å; M16-I164 HydrophobicContact CG-CG2 4.01Å; M16-I164 HydrophobicContact SD-CG2 3.6Å; M16-I164 VanDerWaalsContact SD-CG2 3.6Å; V17-I164 HydrophobicContact CG2-CD1 4.24Å; A20-I164 HydrophobicContact CB-CD1 4.33Å; A20-I164 HydrophobicContact CB-CG1 3.46Å; A20-I164 VanDerWaalsContact CB-CG1 3.46Å; M160-I164 WeakPolarHBondContact O-CB 3.45Å; M160-I164 VanDerWaalsContact O-CG1 3.22Å; M160-I164 WeakPolarHBondContact O-CG1 3.41Å; M160-I164 PolarHBondContact O-N 2.87Å; E161-I164 PolarHBondContact O-N 3.47Å; I164-R166 VanDerWaalsContact C-N 3.31Å; I164-R166 PolarHBondContact O-N 2.74Å; I164-L167 PolarHBondContact O-N 3.13Å; I164-N168 PolarHBondContact O-N 3.21Å
165	R	90.6	Very high	88.8	Confident	179 Å²	179	64.5 Å²	64.5	68%	0.675	31%	0.307	S	S	*	.	H	α-helix	trans	-59.3	-42.3	176	-71.9	174.6	-172.1	-169.6	1.9	112.2	E161 W162 V163 N168 A169	E161-R165 VanDerWaalsContact O-CG 3.31Å; E161-R165 WeakPolarHBondContact O-CG 3.39Å; E161-R165 PolarHBondContact O-N 2.78Å; W162-R165 PolarHBondContact O-N 2.99Å; V163-R165 PolarHBondContact O-N 2.95Å; R165-N168 PolarHBondContact O-N 3.48Å; R165-A169 PolarHBondContact O-N 2.86Å; R165-A169 VanDerWaalsContact O-N 3.11Å
166	R	90.8	Very high	88.8	Confident	79 Å²	79	62.9 Å²	62.9	30%	0.298	31%	0.309	S	S	.	.	H	α-helix	trans	-61	-47.3	175.8	-169.4	-176.5	78.5	-159.5	-3.7	111.3	W162 V163 I164 N168 A169 E170	W162-R166 PolarHBondContact O-N 2.8Å; W162-R166 VanDerWaalsContact O-N 3.08Å; V163-R166 WeakPolarHBondContact O-CB 3.48Å; V163-R166 PolarHBondContact O-N 2.78Å; I164-R166 VanDerWaalsContact C-N 3.31Å; I164-R166 PolarHBondContact O-N 2.74Å; R166-N168 VanDerWaalsContact C-N 3.32Å; R166-N168 PolarHBondContact O-N 3.03Å; R166-A169 PolarHBondContact O-N 2.99Å; R166-E170 IonicContact NE-OE1 3.74Å; R166-E170 WeakPolarHBondContact O-CG 3.3Å; R166-E170 PolarHBondContact O-N 3.48Å
167	L	89.6	Confident	88.9	Confident	1 Å²	1	66.4 Å²	66.4	1%	0.005	33%	0.329	C	S	.	.	H	α-helix	trans	-61.7	-39	178.8	-75.3	174.4	0	0	0	112.6	K19 A20 V163 I164 E170 I171	K19-L167 HydrophobicContact CB-CD1 4.34Å; K19-L167 HydrophobicContact CD-CD1 4.15Å; K19-L167 HydrophobicContact CD-CD2 4.25Å; K19-L167 HydrophobicContact CG-CD1 3.98Å; A20-L167 HydrophobicContact CB-CD1 3.96Å; V163-L167 HydrophobicContact CG1-CD1 4.05Å; V163-L167 HydrophobicContact CG1-CG 4.32Å; V163-L167 WeakPolarHBondContact O-CG 3.4Å; V163-L167 PolarHBondContact O-N 2.99Å; I164-L167 PolarHBondContact O-N 3.13Å; L167-E170 PolarHBondContact O-N 2.95Å; L167-I171 WeakPolarHBondContact O-CD1 3.43Å; L167-I171 VanDerWaalsContact O-CG1 3.25Å; L167-I171 WeakPolarHBondContact O-CG1 3.4Å; L167-I171 PolarHBondContact O-N 2.86Å
168	N	89.3	Confident	88.6	Confident	47 Å²	47	66 Å²	66	25%	0.251	34%	0.338	S	S	.	.	H	α-helix	trans	-65.2	-43.3	176.5	-76.4	-23.3	0	0	0	112	M16 I164 R165 R166 E170 I171 E172	M16-N168 WeakPolarHBondContact CE-OD1 3.27Å; M16-N168 PolarHBondContact SD-OD1 3.38Å; I164-N168 PolarHBondContact O-N 3.21Å; R165-N168 PolarHBondContact O-N 3.48Å; R166-N168 VanDerWaalsContact C-N 3.32Å; R166-N168 PolarHBondContact O-N 3.03Å; N168-E170 VanDerWaalsContact C-N 3.35Å; N168-E170 PolarHBondContact O-N 3.43Å; N168-I171 PolarHBondContact O-N 3.1Å; N168-E172 WeakPolarHBondContact O-CG 3.41Å; N168-E172 PolarHBondContact O-N 2.88Å
169	A	89.3	Confident	88.2	Confident	54 Å²	54	68.1 Å²	68.1	45%	0.446	34%	0.341	S	S	.	.	H	α-helix	trans	-60.5	-43.2	175.6	0	0	0	0	0	112.1	R165 R166 I171 E172 E173	R165-A169 PolarHBondContact O-N 2.86Å; R165-A169 VanDerWaalsContact O-N 3.11Å; R166-A169 PolarHBondContact O-N 2.99Å; A169-I171 VanDerWaalsContact C-N 3.35Å; A169-I171 PolarHBondContact O-N 3.47Å; A169-E172 PolarHBondContact O-N 3.5Å; A169-E173 WeakPolarHBondContact O-CB 3.43Å; A169-E173 PolarHBondContact O-N 3.06Å
170	E	88.3	Confident	87.3	Confident	79 Å²	79	70 Å²	70	37%	0.369	36%	0.361	S	S	.	.	H	α-helix	trans	-61.4	-41.6	175.8	-71.8	172.1	-161.8	0	0	111.9	R166 L167 N168 E173 L174	R166-E170 IonicContact NE-OE1 3.74Å; R166-E170 WeakPolarHBondContact O-CG 3.3Å; R166-E170 PolarHBondContact O-N 3.48Å; L167-E170 PolarHBondContact O-N 2.95Å; N168-E170 VanDerWaalsContact C-N 3.35Å; N168-E170 PolarHBondContact O-N 3.43Å; E170-E173 PolarHBondContact O-N 3.39Å; E170-L174 WeakPolarHBondContact O-CB 3.44Å; E170-L174 WeakPolarHBondContact O-CG 3.47Å; E170-L174 PolarHBondContact O-N 3.46Å
171	I	86.3	Confident	85.9	Confident	79 Å²	79	74.7 Å²	74.7	41%	0.405	39%	0.39	S	S	.	.	H	α-helix	trans	-65.3	-42.6	177.7	-69.3	165.1	0	0	0	110.9	L167 N168 A169 L174 A175	L167-I171 WeakPolarHBondContact O-CD1 3.43Å; L167-I171 VanDerWaalsContact O-CG1 3.25Å; L167-I171 WeakPolarHBondContact O-CG1 3.4Å; L167-I171 PolarHBondContact O-N 2.86Å; N168-I171 PolarHBondContact O-N 3.1Å; A169-I171 VanDerWaalsContact C-N 3.35Å; A169-I171 PolarHBondContact O-N 3.47Å; I171-L174 PolarHBondContact O-N 2.83Å; I171-A175 WeakPolarHBondContact O-CB 3.39Å; I171-A175 PolarHBondContact O-N 3.15Å
172	E	87.6	Confident	84.3	Confident	135 Å²	135	79.2 Å²	79.2	63%	0.631	41%	0.414	S	S	*	.	H	α-helix	trans	-63.8	-42.1	177.6	-75.2	-179.5	-179.7	0	0	112.2	N168 A169 A175 A176	N168-E172 WeakPolarHBondContact O-CG 3.41Å; N168-E172 PolarHBondContact O-N 2.88Å; A169-E172 PolarHBondContact O-N 3.5Å; E172-A175 PolarHBondContact O-N 2.85Å; E172-A176 WeakPolarHBondContact O-CB 3.31Å; E172-A176 PolarHBondContact O-N 3.3Å
173	E	88	Confident	82.5	Confident	135 Å²	135	84.9 Å²	84.9	63%	0.631	44%	0.436	S	S	*	.	H	α-helix	trans	-64.7	-44.2	176.8	-173	179.2	-177.3	0	0	111.7	A169 E170 A175 A176 T177	A169-E173 WeakPolarHBondContact O-CB 3.43Å; A169-E173 PolarHBondContact O-N 3.06Å; E170-E173 PolarHBondContact O-N 3.39Å; E173-A175 VanDerWaalsContact C-N 3.34Å; E173-A175 PolarHBondContact O-N 2.88Å; E173-A176 PolarHBondContact O-N 2.95Å; E173-T177 WeakPolarHBondContact O-CB 3.45Å; E173-T177 PolarHBondContact O-N 3.28Å; E173-T177 PolarHBondContact O-OG1 2.95Å
174	L	86.9	Confident	80.4	Confident	123 Å²	123	90.1 Å²	90.1	64%	0.644	47%	0.467	S	S	*	.	H	α-helix	trans	-61.3	-43.3	174.1	-73.8	169.7	0	0	0	111.4	E170 I171 T177 A178	E170-L174 WeakPolarHBondContact O-CB 3.44Å; E170-L174 WeakPolarHBondContact O-CG 3.47Å; E170-L174 PolarHBondContact O-N 3.46Å; I171-L174 PolarHBondContact O-N 2.83Å; L174-T177 PolarHBondContact O-N 3.04Å; L174-A178 WeakPolarHBondContact O-CB 3.47Å; L174-A178 PolarHBondContact O-N 2.87Å
175	A	86.1	Confident	78.2	Confident	34 Å²	34	95 Å²	95	28%	0.281	50%	0.499	S	S	.	.	H	α-helix	trans	-65.7	-38.8	176.7	0	0	0	0	0	112.1	I171 E172 E173 R179	I171-A175 WeakPolarHBondContact O-CB 3.39Å; I171-A175 PolarHBondContact O-N 3.15Å; E172-A175 PolarHBondContact O-N 2.85Å; E173-A175 VanDerWaalsContact C-N 3.34Å; E173-A175 PolarHBondContact O-N 2.88Å; A175-R179 WeakPolarHBondContact O-CB 3.45Å; A175-R179 VanDerWaalsContact O-CG 3.28Å; A175-R179 WeakPolarHBondContact O-CG 3.25Å; A175-R179 PolarHBondContact O-N 2.88Å; A175-R179 PolarHBondContact O-NE 3.04Å
176	A	86.3	Confident	76.2	Confident	51 Å²	51	96.4 Å²	96.4	42%	0.421	52%	0.516	S	S	.	.	H	α-helix	trans	-63.9	-45	174.9	0	0	0	0	0	111.5	E172 E173 R179 G180	E172-A176 WeakPolarHBondContact O-CB 3.31Å; E172-A176 PolarHBondContact O-N 3.3Å; E173-A176 PolarHBondContact O-N 2.95Å; A176-R179 PolarHBondContact O-N 3.29Å; A176-G180 PolarHBondContact O-N 3.37Å
177	T	87.1	Confident	74.4	Confident	84 Å²	84	96.7 Å²	96.7	52%	0.515	54%	0.536	S	S	.	.	H	α-helix	trans	-60.9	-48.4	176.2	-56.7	0	0	0	0	111.1	E173 L174 R179 G180 T181	E173-T177 WeakPolarHBondContact O-CB 3.45Å; E173-T177 PolarHBondContact O-N 3.28Å; E173-T177 PolarHBondContact O-OG1 2.95Å; L174-T177 PolarHBondContact O-N 3.04Å; T177-R179 VanDerWaalsContact C-N 3.33Å; T177-R179 PolarHBondContact O-N 2.95Å; T177-G180 WeakPolarHBondContact O-CA 3.25Å; T177-G180 PolarHBondContact O-N 3.12Å; T177-T181 PolarHBondContact O-N 3.45Å; T177-T181 PolarHBondContact O-OG1 3.2Å; T177-T181 VanDerWaalsContact O-OG1 3.05Å
178	A	81.4	Confident	72.6	Confident	50 Å²	50	101.5 Å²	101.5	41%	0.413	58%	0.575	S	S	.	*	H	α-helix	trans	-60.2	-41.7	178.4	0	0	0	0	0	112.2	L174 G180 T181 I182	L174-A178 WeakPolarHBondContact O-CB 3.47Å; L174-A178 PolarHBondContact O-N 2.87Å; A178-G180 VanDerWaalsContact C-N 3.32Å; A178-G180 PolarHBondContact O-N 3.02Å; A178-T181 PolarHBondContact O-N 2.84Å; A178-I182 WeakPolarHBondContact O-CD1 3.37Å; A178-I182 VanDerWaalsContact O-CG1 3.27Å; A178-I182 WeakPolarHBondContact O-CG1 3.18Å; A178-I182 PolarHBondContact O-N 3.23Å; A178-I182 VanDerWaalsContact O-N 3.13Å
179	R	80.3	Confident	70.7	Confident	152 Å²	152	104.1 Å²	104.1	57%	0.574	60%	0.604	S	S	*	*	H	α-helix	trans	-64	-34.7	174	-74.7	-177.8	-67.5	-118.7	0.9	112.7	A175 A176 T177 R183	A175-R179 WeakPolarHBondContact O-CB 3.45Å; A175-R179 VanDerWaalsContact O-CG 3.28Å; A175-R179 WeakPolarHBondContact O-CG 3.25Å; A175-R179 PolarHBondContact O-N 2.88Å; A175-R179 PolarHBondContact O-NE 3.04Å; A176-R179 PolarHBondContact O-N 3.29Å; T177-R179 VanDerWaalsContact C-N 3.33Å; T177-R179 PolarHBondContact O-N 2.95Å; R179-R183 PolarHBondContact O-N 3.5Å
180	G	70.8	Confident	68.9	Low	41 Å²	41	107.9 Å²	107.9	42%	0.423	62%	0.62	S	S	.	*	H	α-helix	trans	-66.3	-44	174.3	0	0	0	0	0	112.6	A176 T177 A178 I182 R183	A176-G180 PolarHBondContact O-N 3.37Å; T177-G180 WeakPolarHBondContact O-CA 3.25Å; T177-G180 PolarHBondContact O-N 3.12Å; A178-G180 VanDerWaalsContact C-N 3.32Å; A178-G180 PolarHBondContact O-N 3.02Å; G180-I182 PolarHBondContact O-N 3.45Å; G180-R183 PolarHBondContact O-N 2.85Å
181	T	60.8	Low	66.7	Low	99 Å²	99	110.9 Å²	110.9	61%	0.607	64%	0.644	S	S	*	*	H	α-helix	trans	-64.8	-38.8	178.6	-47.9	0	0	0	0	112.2	T177 A178 R183 T184	T177-T181 PolarHBondContact O-N 3.45Å; T177-T181 PolarHBondContact O-OG1 3.2Å; T177-T181 VanDerWaalsContact O-OG1 3.05Å; A178-T181 PolarHBondContact O-N 2.84Å; T181-R183 VanDerWaalsContact C-N 3.25Å; T181-R183 PolarHBondContact O-N 2.72Å; T181-T184 PolarHBondContact O-N 3.14Å
182	I	56.7	Low	64.6	Low	144 Å²	144	115.6 Å²	115.6	74%	0.738	67%	0.665	S	S	*	*	H	α-helix	trans	-67.5	-24.9	178.2	-65.1	164	0	0	0	112.2	A178 G180 T184	A178-I182 WeakPolarHBondContact O-CD1 3.37Å; A178-I182 VanDerWaalsContact O-CG1 3.27Å; A178-I182 WeakPolarHBondContact O-CG1 3.18Å; A178-I182 PolarHBondContact O-N 3.23Å; A178-I182 VanDerWaalsContact O-N 3.13Å; G180-I182 PolarHBondContact O-N 3.45Å; I182-T184 VanDerWaalsContact C-N 3.35Å
183	R	54.6	Low	62.2	Low	217 Å²	217	122.6 Å²	122.6	82%	0.819	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.5	-2.9	-179.5	-80	-175.9	173.8	-175.9	-0.7	114.9	R179 G180 T181 P185	R179-R183 PolarHBondContact O-N 3.5Å; G180-R183 PolarHBondContact O-N 2.85Å; T181-R183 VanDerWaalsContact C-N 3.25Å; T181-R183 PolarHBondContact O-N 2.72Å; R183-P185 WeakPolarHBondContact O-CD 3.3Å
184	T	46.9	Very low	60.9	Low	109 Å²	109	122 Å²	122	67%	0.669	70%	0.696	S	S	*	*	S	Bend	trans	-93.2	96.1	171.9	-42.3	0	0	0	0	107.3	T181 I182 M186	T181-T184 PolarHBondContact O-N 3.14Å; I182-T184 VanDerWaalsContact C-N 3.35Å; T184-M186 PolarHBondContact O-N 3.28Å
185	P	44.8	Very low	59.5	Low	102 Å²	102	121.9 Å²	121.9	66%	0.662	70%	0.699	S	S	*	*			trans	-61.3	135.6	171.8	28.5	-33.4	0	0	0	107.3	R183 A187	R183-P185 WeakPolarHBondContact O-CD 3.3Å; P185-A187 PolarHBondContact O-N 3.41Å
186	M	49.3	Very low	58.1	Low	209 Å²	209	126.8 Å²	126.8	100%	1.03	72%	0.722	S	S	*	*			trans	-57.9	85.1	164.4	-120.7	-173.2	175.6	0	0	107.4	T184	T184-M186 PolarHBondContact O-N 3.28Å
187	A	51.5	Low	56.4	Low	86 Å²	86	131.3 Å²	131.3	71%	0.711	74%	0.74	S	S	*	*			trans	-91.7	123.7	174.7	0	0	0	0	0	108.2	P185	P185-A187 PolarHBondContact O-N 3.41Å
188	A	52.2	Low	54.5	Low	101 Å²	101	134.3 Å²	134.3	84%	0.835	75%	0.754	S	S	*	*			trans	78.5	93.1	161.6	0	0	0	0	0	118
189	A	50.3	Low	52.7	Low	103 Å²	103	139.9 Å²	139.9	85%	0.851	78%	0.777	S	S	*	*			trans	-145.3	63.4	133.8	0	0	0	0	0	109.8
190	V	50.6	Low	50.7	Low	132 Å²	132	139 Å²	139	80%	0.8	79%	0.791	S	S	*	*			trans	-128.8	95.5	156.7	-176.5	0	0	0	0	106.2
191	T	42.8	Very low	49.2	Very low	142 Å²	142	146.5 Å²	146.5	87%	0.871	82%	0.82	S	S	*	*			trans	-127.8	106.4	156.7	42	0	0	0	0	107.3
192	E	40.8	Very low	48.2	Very low	179 Å²	179	150.5 Å²	150.5	84%	0.836	84%	0.837	S	S	*	*			trans	-57.9	131	162.4	-66	172.8	122.8	0	0	110.4
193	K	38.2	Very low	47.5	Very low	282 Å²	282	151.1 Å²	151.1	100%	1.226	85%	0.846	S	S	*	*				-179.8	0	117.6	-101.4	-177.7	178.7	-179.4	0	111.1

Retrieved 193 of 193 residues in 324.1 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).