A0A096MNJ8_PAPAN Loading...

small monomeric GTPase

AlphaFold DB (P01112), UniProt , Accession A0A096MNJ8, Species PAPAN (Papio anubis, Olive baboon), Gene HRAS, Length 189 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	89.3	Confident	97.4	Very high	138 Å²	138	33.7 Å²	33.7	68%	0.68	17%	0.169	S	C	*	.				0	128.1	0	177.1	170.8	63.2	0	0	107.3	Q43 T50 L52	M1-Q43 HydrophobicContact SD-CG 3.83Å; M1-Q43 PolarHBondContact SD-NE2 3.27Å; M1-T50 HydrophobicContact CG-CG2 4.47Å; M1-T50 WeakPolarHBondContact CG-O 3.38Å; M1-T50 HydrophobicContact SD-CG2 3.79Å; M1-L52 HydrophobicContact CE-CB 3.82Å; M1-L52 HydrophobicContact SD-CB 4.28Å
2	T	96.6	Very high	97.2	Very high	51 Å²	51	33.3 Å²	33.3	31%	0.313	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	133.2	179.4	-49.1	0	0	0	0	109.6	Y4 E49 C51 L52	T2-Y4 HydrophobicContact CG2-CE1 4.02Å; T2-Y4 HydrophobicContact CG2-CE2 3.92Å; T2-E49 PolarHBondContact OG1-OE1 3.42Å; T2-C51 CarbonylContact O-C 3.48Å; T2-C51 VanDerWaalsContact O-CA 3.3Å; T2-C51 WeakPolarHBondContact O-CA 3.35Å; T2-C51 VanDerWaalsContact O-CB 3.31Å; T2-C51 WeakPolarHBondContact O-CB 3.48Å; T2-L52 PolarHBondContact O-N 3.07Å
3	E	98.4	Very high	97	Very high	68 Å²	68	32.7 Å²	32.7	32%	0.318	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	137.9	170.1	-176.5	176	-155.3	0	0	109	R41 L52 D54	E3-R41 IonicContact OE1-CZ 3.27Å; E3-R41 VanDerWaalsContact OE1-CZ 3.26Å; E3-R41 IonicContact OE1-NH1 3.57Å; E3-R41 IonicContact OE1-NH2 2.75Å; E3-R41 PolarHBondContact OE1-NH2 2.64Å; E3-L52 CarbonylContact C-O 3.28Å; E3-L52 WeakPolarHBondContact CA-O 3.35Å; E3-L52 HydrophobicContact CB-CB 4.41Å; E3-L52 HydrophobicContact CG-CB 4.43Å; E3-L52 HydrophobicContact CG-CD2 4.12Å; E3-L52 HydrophobicContact CG-CG 4.4Å; E3-D54 HydrophobicContact CG-CB 4.12Å
4	Y	98.7	Very high	97	Very high	8 Å²	8	30.4 Å²	30.4	3%	0.031	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	118.8	176.5	-65.9	-76.1	0	0	0	109.9	T2 L6 C51 L52 L53 D54 E76 V160 I163 R164	T2-Y4 HydrophobicContact CG2-CE1 4.02Å; T2-Y4 HydrophobicContact CG2-CE2 3.92Å; Y4-L6 PolarHBondContact O-N 3.23Å; Y4-C51 HydrophobicContact CD2-CB 3.77Å; Y4-C51 HydrophobicContact CE2-CB 3.54Å; Y4-L52 PolarHBondContact N-O 2.72Å; Y4-L53 HydrophobicContact CD2-CD2 4.44Å; Y4-D54 PolarHBondContact O-N 3.06Å; Y4-E76 WeakPolarHBondContact CA-OE2 3.37Å; Y4-V160 HydrophobicContact CD1-CG1 4.34Å; Y4-V160 HydrophobicContact CD2-CG1 3.75Å; Y4-V160 HydrophobicContact CD2-CG2 4.19Å; Y4-V160 HydrophobicContact CE1-CG1 4.17Å; Y4-V160 HydrophobicContact CE2-CG1 3.54Å; Y4-V160 HydrophobicContact CG-CG1 4.15Å; Y4-V160 HydrophobicContact CG-CG2 4.24Å; Y4-I163 HydrophobicContact CD1-CB 4.25Å; Y4-I163 HydrophobicContact CD1-CD1 4.27Å; Y4-I163 HydrophobicContact CD1-CG2 3.8Å; Y4-I163 HydrophobicContact CE1-CB 4.44Å; Y4-I163 HydrophobicContact CE1-CG2 3.98Å; Y4-R164 HydrophobicContact CE1-CG 4.18Å; Y4-R164 VanDerWaalsContact OH-CG 3.28Å; Y4-R164 WeakPolarHBondContact OH-CG 3.36Å; Y4-R164 PolarHBondContact OH-NE 3.37Å
5	K	98.7	Very high	97.1	Very high	88 Å²	88	29.4 Å²	29.4	38%	0.383	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	100.4	178.4	-63.4	-176.6	178.7	-176.1	0	110.5	D54 E76 G77	K5-D54 CarbonylContact C-O 3.54Å; K5-D54 WeakPolarHBondContact CA-O 3.36Å; K5-D54 HydrophobicContact CG-CB 4.37Å; K5-E76 HydrophobicContact CB-CB 4.48Å; K5-E76 HydrophobicContact CB-CG 4.19Å; K5-E76 PolarHBondContact N-OE2 3.2Å; K5-E76 PolarHBondContact O-N 3.01Å; K5-G77 PolarHBondContact O-N 3.26Å
6	L	98.9	Very high	97.1	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.005	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	139.3	-178.4	-47.6	-173.9	0	0	0	109.5	Y4 L53 D54 I55 L56 F156 L159 V160 I163	Y4-L6 PolarHBondContact O-N 3.23Å; L6-L53 HydrophobicContact CD1-CB 4.37Å; L6-L53 HydrophobicContact CD1-CD1 4.32Å; L6-L53 HydrophobicContact CD1-CD2 4.22Å; L6-D54 PolarHBondContact N-O 2.96Å; L6-I55 HydrophobicContact CB-CG1 4.38Å; L6-I55 HydrophobicContact CD1-CG1 4.33Å; L6-I55 WeakPolarHBondContact O-CA 3.47Å; L6-L56 PolarHBondContact O-N 3.21Å; L6-F156 HydrophobicContact CD1-CD1 3.89Å; L6-L159 HydrophobicContact CB-CD2 4.18Å; L6-L159 HydrophobicContact CD1-CD2 4.44Å; L6-L159 HydrophobicContact CD2-CD2 3.85Å; L6-L159 HydrophobicContact CD2-CG 4.1Å; L6-L159 HydrophobicContact CG-CD2 4.38Å; L6-V160 HydrophobicContact CD1-CG2 4.3Å; L6-V160 HydrophobicContact CD2-CG2 4.39Å; L6-I163 HydrophobicContact CD2-CD1 3.39Å
7	V	98.7	Very high	97.2	Very high	3 Å²	3	28.1 Å²	28.1	2%	0.018	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	130.6	175.2	-175.4	0	0	0	0	109.4	V9 L56 T58 Y71 G77 F78 L79	V7-V9 HydrophobicContact CG1-CG1 3.8Å; V7-L56 HydrophobicContact CG1-CD2 4.47Å; V7-L56 HydrophobicContact CG2-CB 4.29Å; V7-T58 HydrophobicContact CG1-CG2 3.65Å; V7-Y71 HydrophobicContact CG1-CD2 3.67Å; V7-Y71 HydrophobicContact CG1-CE2 4.16Å; V7-Y71 HydrophobicContact CG1-CG 4.24Å; V7-G77 PolarHBondContact N-O 2.75Å; V7-F78 HydrophobicContact CB-CD1 3.72Å; V7-F78 HydrophobicContact CB-CE1 3.83Å; V7-F78 HydrophobicContact CG1-CD1 4.23Å; V7-F78 HydrophobicContact CG1-CE1 4.31Å; V7-F78 HydrophobicContact CG2-CD1 4.39Å; V7-F78 HydrophobicContact CG2-CE1 4.02Å; V7-F78 CarbonylContact O-C 3.58Å; V7-F78 VanDerWaalsContact O-CA 3.3Å; V7-F78 WeakPolarHBondContact O-CA 3.46Å; V7-L79 PolarHBondContact O-N 2.98Å
8	V	98.7	Very high	97.2	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	112	178.2	-167.7	0	0	0	0	108.7	K16 I55 L56 T58 L79 V81 F156	V8-K16 HydrophobicContact CB-CB 4.43Å; V8-K16 HydrophobicContact CG1-CB 3.63Å; V8-K16 HydrophobicContact CG1-CD 4.16Å; V8-K16 HydrophobicContact CG1-CG 3.88Å; V8-I55 HydrophobicContact CG2-CG2 3.87Å; V8-L56 PolarHBondContact N-O 3.24Å; V8-T58 WeakPolarHBondContact O-CG2 3.45Å; V8-T58 PolarHBondContact O-OG1 3.21Å; V8-L79 HydrophobicContact CG1-CB 4.26Å; V8-L79 HydrophobicContact CG2-CD1 4.42Å; V8-V81 HydrophobicContact CG1-CG2 3.58Å; V8-F156 HydrophobicContact CG2-CE1 3.93Å; V8-F156 HydrophobicContact CG2-CZ 4.15Å
9	V	98.2	Very high	97.3	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	159.4	-178	-58.4	0	0	0	0	111.5	V7 K16 Y71 F78 L79 V81 Y96 I100	V7-V9 HydrophobicContact CG1-CG1 3.8Å; V9-K16 VanDerWaalsContact C-CD 3.47Å; V9-Y71 HydrophobicContact CG1-CE2 3.76Å; V9-F78 HydrophobicContact CG1-CD1 4.41Å; V9-L79 WeakPolarHBondContact CG2-O 3.35Å; V9-L79 PolarHBondContact N-O 2.89Å; V9-V81 PolarHBondContact O-N 3.45Å; V9-Y96 HydrophobicContact CB-CD1 3.83Å; V9-Y96 HydrophobicContact CB-CE1 4.18Å; V9-Y96 HydrophobicContact CG2-CD1 4.12Å; V9-Y96 HydrophobicContact CG2-CG 4.38Å; V9-I100 HydrophobicContact CG2-CD1 4.12Å
10	G	98	Very high	97.3	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	15%	0.148	C	C	.	.			trans	142.3	165.2	-178.5	0	0	0	0	0	112.3	K16 G60 V81 Y96	G10-K16 WeakPolarHBondContact O-CE 3.28Å; G10-K16 PolarHBondContact O-NZ 2.75Å; G10-G60 VanDerWaalsContact O-CA 3.29Å; G10-G60 WeakPolarHBondContact O-CA 3.2Å; G10-V81 WeakPolarHBondContact CA-O 3.49Å; G10-Y96 PolarHBondContact O-OH 2.95Å
11	A	96.8	Very high	97.2	Very high	14 Å²	14	24.9 Å²	24.9	12%	0.116	15%	0.147	C	C	.	.	S	Bend	trans	-56.8	164.6	-175.9	0	0	0	0	0	113.7	V14 K16 G60	A11-V14 HydrophobicContact CB-CG1 3.98Å; A11-V14 WeakPolarHBondContact O-CG1 3.45Å; A11-V14 VanDerWaalsContact O-CG2 3.26Å; A11-V14 WeakPolarHBondContact O-CG2 3.33Å; A11-K16 PolarHBondContact O-NZ 3.47Å; A11-G60 CarbonylContact C-O 3.58Å
12	G	95	Very high	97.6	Very high	28 Å²	28	18.8 Å²	18.8	29%	0.289	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	143.6	172.7	0	0	0	0	0	112.2	V14 G60	G12-V14 PolarHBondContact O-N 2.91Å; G12-V14 VanDerWaalsContact O-N 3.11Å; G12-G60 PolarHBondContact N-O 2.85Å
13	G	94.8	Very high	97.7	Very high	26 Å²	26	16.5 Å²	16.5	27%	0.268	10%	0.103	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.9	4.8	173.9	0	0	0	0	0	116.9	G15 Y32 K117	G13-G15 PolarHBondContact O-N 2.89Å; G13-Y32 PolarHBondContact N-OH 3.41Å; G13-Y32 VanDerWaalsContact N-OH 3.16Å; G13-K117 VanDerWaalsContact O-CE 3.32Å; G13-K117 WeakPolarHBondContact O-CE 3.31Å; G13-K117 PolarHBondContact O-NZ 3.31Å
14	V	97.4	Very high	97.6	Very high	1 Å²	1	15 Å²	15	1%	0.006	10%	0.097	C	C	.	.	S	Bend	trans	-72.8	-16.3	177.5	-57.5	0	0	0	0	113.5	A11 G12 K16 V81 A83 N116	A11-V14 HydrophobicContact CB-CG1 3.98Å; A11-V14 WeakPolarHBondContact O-CG1 3.45Å; A11-V14 VanDerWaalsContact O-CG2 3.26Å; A11-V14 WeakPolarHBondContact O-CG2 3.33Å; G12-V14 PolarHBondContact O-N 2.91Å; G12-V14 VanDerWaalsContact O-N 3.11Å; V14-K16 HydrophobicContact CG2-CD 4.32Å; V14-K16 HydrophobicContact CG2-CG 3.59Å; V14-V81 HydrophobicContact CB-CG1 4.31Å; V14-V81 HydrophobicContact CG2-CB 4.01Å; V14-V81 HydrophobicContact CG2-CG1 3.79Å; V14-A83 HydrophobicContact CB-CB 4.26Å; V14-A83 HydrophobicContact CG1-CB 4.41Å; V14-N116 PolarHBondContact O-ND2 2.84Å
15	G	97.8	Very high	97.4	Very high	15 Å²	15	19.8 Å²	19.8	16%	0.155	12%	0.12	C	C	.	.	S	Bend	trans	98	30.3	177.3	0	0	0	0	0	115.2	G13 A18 L19	G13-G15 PolarHBondContact O-N 2.89Å; G15-A18 PolarHBondContact O-N 2.97Å; G15-L19 WeakPolarHBondContact O-CG 3.3Å; G15-L19 PolarHBondContact O-N 3.04Å
16	K	98.1	Very high	97.1	Very high	10 Å²	10	19.8 Å²	19.8	4%	0.043	12%	0.124	C	C	.	.	H	α-helix	trans	-54.5	-55.4	174.6	-57	-169.7	-58.4	-73.5	0	111.7	V8 V9 G10 A11 V14 A18 L19 T20 D57 T58 G60 V81	V8-K16 HydrophobicContact CB-CB 4.43Å; V8-K16 HydrophobicContact CG1-CB 3.63Å; V8-K16 HydrophobicContact CG1-CD 4.16Å; V8-K16 HydrophobicContact CG1-CG 3.88Å; V9-K16 VanDerWaalsContact C-CD 3.47Å; G10-K16 WeakPolarHBondContact O-CE 3.28Å; G10-K16 PolarHBondContact O-NZ 2.75Å; A11-K16 PolarHBondContact O-NZ 3.47Å; V14-K16 HydrophobicContact CG2-CD 4.32Å; V14-K16 HydrophobicContact CG2-CG 3.59Å; K16-A18 VanDerWaalsContact C-N 3.35Å; K16-A18 PolarHBondContact O-N 2.87Å; K16-L19 WeakPolarHBondContact O-CB 3.36Å; K16-L19 PolarHBondContact O-N 2.74Å; K16-T20 PolarHBondContact O-N 2.7Å; K16-T20 PolarHBondContact O-OG1 2.95Å; K16-D57 WeakPolarHBondContact CB-OD1 3.33Å; K16-T58 WeakPolarHBondContact CE-O 3.23Å; K16-T58 PolarHBondContact NZ-O 3.3Å; K16-G60 VanDerWaalsContact NZ-CA 3.31Å; K16-V81 HydrophobicContact CG-CB 4.22Å; K16-V81 HydrophobicContact CG-CG2 4.38Å
17	S	97.5	Very high	96.8	Very high	26 Å²	26	24.7 Å²	24.7	18%	0.182	15%	0.146	C	C	.	.	H	α-helix	trans	-61.5	-41.4	177.4	-38.6	0	0	0	0	112.3	L19 T20 I21 T35 D57	S17-L19 VanDerWaalsContact C-N 3.34Å; S17-L19 PolarHBondContact O-N 2.87Å; S17-T20 PolarHBondContact O-N 3.03Å; S17-I21 WeakPolarHBondContact O-CB 3.46Å; S17-I21 VanDerWaalsContact O-CG1 3.26Å; S17-I21 WeakPolarHBondContact O-CG1 3.4Å; S17-I21 PolarHBondContact O-N 3.35Å; S17-T35 PolarHBondContact OG-OG1 3.29Å; S17-D57 WeakPolarHBondContact CA-OD2 3.36Å; S17-D57 WeakPolarHBondContact CB-OD2 3.23Å; S17-D57 PolarHBondContact N-OD1 3.04Å; S17-D57 PolarHBondContact OG-OD2 2.88Å
18	A	97.7	Very high	96.5	Very high	18 Å²	18	27.3 Å²	27.3	15%	0.149	16%	0.158	C	C	.	.	H	α-helix	trans	-62.2	-39.5	176.7	0	0	0	0	0	112.3	G15 K16 Q22 F28 A146	G15-A18 PolarHBondContact O-N 2.97Å; K16-A18 VanDerWaalsContact C-N 3.35Å; K16-A18 PolarHBondContact O-N 2.87Å; A18-Q22 WeakPolarHBondContact O-CB 3.42Å; A18-Q22 PolarHBondContact O-N 3.44Å; A18-F28 HydrophobicContact CB-CD2 4.37Å; A18-F28 HydrophobicContact CB-CE2 4.12Å; A18-A146 HydrophobicContact CB-CB 3.64Å
19	L	98.6	Very high	95.9	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.005	18%	0.175	C	C	.	.	H	α-helix	trans	-66	-46.1	173.7	-72.1	171.5	0	0	0	111.5	G15 K16 S17 Q22 L23 V81 V114 N116 T144 A146 V152 F156	G15-L19 WeakPolarHBondContact O-CG 3.3Å; G15-L19 PolarHBondContact O-N 3.04Å; K16-L19 WeakPolarHBondContact O-CB 3.36Å; K16-L19 PolarHBondContact O-N 2.74Å; S17-L19 VanDerWaalsContact C-N 3.34Å; S17-L19 PolarHBondContact O-N 2.87Å; L19-Q22 PolarHBondContact O-N 3.14Å; L19-L23 PolarHBondContact O-N 3.42Å; L19-V81 HydrophobicContact CD1-CG1 3.9Å; L19-V81 HydrophobicContact CD1-CG2 4.22Å; L19-V114 HydrophobicContact CD1-CG1 4.02Å; L19-N116 HydrophobicContact CD1-CB 4.2Å; L19-T144 HydrophobicContact CD2-CG2 4.41Å; L19-A146 HydrophobicContact CD2-CB 3.95Å; L19-A146 HydrophobicContact CG-CB 4.25Å; L19-V152 HydrophobicContact CD2-CG2 3.8Å; L19-F156 HydrophobicContact CB-CE2 4.31Å
20	T	98	Very high	95.2	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-61.7	-52.3	179	-57.8	0	0	0	0	110.8	K16 S17 Q22 L23 I24 Y40 I55 D57	K16-T20 PolarHBondContact O-N 2.7Å; K16-T20 PolarHBondContact O-OG1 2.95Å; S17-T20 PolarHBondContact O-N 3.03Å; T20-Q22 VanDerWaalsContact C-N 3.33Å; T20-Q22 PolarHBondContact O-N 3.31Å; T20-L23 WeakPolarHBondContact O-CB 3.36Å; T20-L23 PolarHBondContact O-N 3.45Å; T20-L23 VanDerWaalsContact O-N 3.14Å; T20-I24 HydrophobicContact CG2-CG1 4.21Å; T20-I24 WeakPolarHBondContact O-CG1 3.02Å; T20-I24 PolarHBondContact O-N 3.44Å; T20-Y40 HydrophobicContact CG2-CD2 3.42Å; T20-Y40 VanDerWaalsContact CG2-CD2 3.42Å; T20-Y40 HydrophobicContact CG2-CE2 3.89Å; T20-Y40 HydrophobicContact CG2-CG 3.98Å; T20-I55 HydrophobicContact CG2-CB 4.48Å; T20-I55 HydrophobicContact CG2-CG2 3.88Å; T20-D57 HydrophobicContact CG2-CB 4.47Å
21	I	96.3	Very high	94.6	Very high	26 Å²	26	44.8 Å²	44.8	13%	0.133	25%	0.247	C	C	.	.	H	α-helix	trans	-61.8	-41	178.9	-66.3	166.7	0	0	0	110.8	S17 L23 I24 Q25 V29	S17-I21 WeakPolarHBondContact O-CB 3.46Å; S17-I21 VanDerWaalsContact O-CG1 3.26Å; S17-I21 WeakPolarHBondContact O-CG1 3.4Å; S17-I21 PolarHBondContact O-N 3.35Å; I21-L23 VanDerWaalsContact C-N 3.31Å; I21-L23 PolarHBondContact O-N 2.95Å; I21-I24 PolarHBondContact O-N 3.11Å; I21-Q25 HydrophobicContact CG2-CB 4.29Å; I21-Q25 HydrophobicContact CG2-CG 4.35Å; I21-Q25 WeakPolarHBondContact O-CB 2.97Å; I21-Q25 PolarHBondContact O-N 3.41Å; I21-V29 HydrophobicContact CG2-CG2 4.29Å
22	Q	97.6	Very high	93.8	Very high	11 Å²	11	50.6 Å²	50.6	5%	0.051	27%	0.267	C	S	.	.	H	α-helix	trans	-61.9	-40.3	176.6	-177.4	67.3	-56.8	0	0	111.5	A18 L19 T20 N26 H27 A146 R149 V152	A18-Q22 WeakPolarHBondContact O-CB 3.42Å; A18-Q22 PolarHBondContact O-N 3.44Å; L19-Q22 PolarHBondContact O-N 3.14Å; T20-Q22 VanDerWaalsContact C-N 3.33Å; T20-Q22 PolarHBondContact O-N 3.31Å; Q22-N26 VanDerWaalsContact O-CA 3.26Å; Q22-N26 WeakPolarHBondContact O-CA 3.12Å; Q22-N26 PolarHBondContact O-N 3.5Å; Q22-N26 VanDerWaalsContact O-N 3.09Å; Q22-H27 WeakPolarHBondContact CA-O 3.4Å; Q22-H27 PolarHBondContact N-O 3.47Å; Q22-H27 VanDerWaalsContact OE1-C 3.24Å; Q22-H27 PolarHBondContact OE1-O 3.25Å; Q22-A146 WeakPolarHBondContact CG-O 3.43Å; Q22-A146 PolarHBondContact NE2-O 3.16Å; Q22-R149 HydrophobicContact CG-CB 4.3Å; Q22-R149 HydrophobicContact CG-CG 4.24Å; Q22-V152 HydrophobicContact CB-CG1 4.45Å; Q22-V152 HydrophobicContact CG-CG1 4.37Å; Q22-V152 HydrophobicContact CG-CG2 4.1Å
23	L	97.9	Very high	93.4	Very high	2 Å²	2	55.6 Å²	55.6	1%	0.01	29%	0.288	C	S	.	.	H	α-helix	trans	-64.3	-48.2	172.8	179.8	70.8	0	0	0	111.4	L19 T20 I21 K42 L53 I55 V152 E153 F156 Y157	L19-L23 PolarHBondContact O-N 3.42Å; T20-L23 WeakPolarHBondContact O-CB 3.36Å; T20-L23 PolarHBondContact O-N 3.45Å; T20-L23 VanDerWaalsContact O-N 3.14Å; I21-L23 VanDerWaalsContact C-N 3.31Å; I21-L23 PolarHBondContact O-N 2.95Å; L23-K42 HydrophobicContact CG-CD 4.27Å; L23-K42 PolarHBondContact O-NZ 3.05Å; L23-L53 HydrophobicContact CD2-CD1 4.14Å; L23-I55 HydrophobicContact CD2-CD1 3.51Å; L23-V152 HydrophobicContact CB-CG1 3.94Å; L23-E153 HydrophobicContact CD1-CG 3.9Å; L23-F156 HydrophobicContact CB-CD2 4.29Å; L23-F156 HydrophobicContact CB-CE2 4.15Å; L23-F156 HydrophobicContact CD2-CB 3.97Å; L23-F156 HydrophobicContact CD2-CD1 3.89Å; L23-F156 HydrophobicContact CD2-CD2 3.6Å; L23-F156 HydrophobicContact CD2-CE1 4.25Å; L23-F156 HydrophobicContact CD2-CE2 3.98Å; L23-F156 HydrophobicContact CD2-CG 3.56Å; L23-F156 HydrophobicContact CD2-CZ 4.29Å; L23-F156 HydrophobicContact CG-CD2 4.34Å; L23-Y157 HydrophobicContact CD1-CE1 4.43Å
24	I	96.2	Very high	93.3	Very high	36 Å²	36	56.8 Å²	56.8	19%	0.185	29%	0.291	C	S	.	.	H	α-helix	trans	-73.4	-45.6	-170.9	-61	-65	0	0	0	111.9	T20 I21 Y40 K42 I55	T20-I24 HydrophobicContact CG2-CG1 4.21Å; T20-I24 WeakPolarHBondContact O-CG1 3.02Å; T20-I24 PolarHBondContact O-N 3.44Å; I21-I24 PolarHBondContact O-N 3.11Å; I24-Y40 HydrophobicContact CG1-CD1 4.2Å; I24-Y40 HydrophobicContact CG1-CG 4.07Å; I24-Y40 HydrophobicContact CG2-CD1 4.19Å; I24-K42 HydrophobicContact CD1-CB 3.55Å; I24-K42 HydrophobicContact CD1-CD 4.26Å; I24-K42 HydrophobicContact CD1-CG 4.43Å; I24-I55 HydrophobicContact CD1-CD1 4.11Å
25	Q	94	Very high	92.9	Very high	110 Å²	110	57.8 Å²	57.8	51%	0.514	30%	0.297	S	S	.	.	H	α-helix	trans	-110.8	-6.5	-167.2	-58.2	-177.7	-1.3	0	0	113.6	I21 H27	I21-Q25 HydrophobicContact CG2-CB 4.29Å; I21-Q25 HydrophobicContact CG2-CG 4.35Å; I21-Q25 WeakPolarHBondContact O-CB 2.97Å; I21-Q25 PolarHBondContact O-N 3.41Å; Q25-H27 HydrophobicContact CB-CB 4.2Å; Q25-H27 PolarHBondContact O-N 3.27Å
26	N	93.7	Very high	92.4	Very high	88 Å²	88	61.4 Å²	61.4	47%	0.471	31%	0.312	S	S	.	.	S	Bend	trans	52.3	36.5	-169.9	-53.1	-69.1	0	0	0	112.2	Q22 R149	Q22-N26 VanDerWaalsContact O-CA 3.26Å; Q22-N26 WeakPolarHBondContact O-CA 3.12Å; Q22-N26 PolarHBondContact O-N 3.5Å; Q22-N26 VanDerWaalsContact O-N 3.09Å; N26-R149 PolarHBondContact OD1-NH1 2.99Å; N26-R149 VanDerWaalsContact OD1-NH1 3.16Å; N26-R149 PolarHBondContact OD1-NH2 3.21Å; N26-R149 VanDerWaalsContact OD1-NH2 3.11Å
27	H	92.3	Very high	92.1	Very high	103 Å²	103	64.5 Å²	64.5	48%	0.477	33%	0.326	S	S	.	.			trans	-132.2	143	-179.7	-175.8	63.7	0	0	0	110.9	Q22 Q25	Q22-H27 WeakPolarHBondContact CA-O 3.4Å; Q22-H27 PolarHBondContact N-O 3.47Å; Q22-H27 VanDerWaalsContact OE1-C 3.24Å; Q22-H27 PolarHBondContact OE1-O 3.25Å; Q25-H27 HydrophobicContact CB-CB 4.2Å; Q25-H27 PolarHBondContact O-N 3.27Å
28	F	91.5	Very high	92	Very high	58 Å²	58	66.7 Å²	66.7	25%	0.254	34%	0.336	S	S	.	.			trans	-108.9	122	172.9	174	-101.8	0	0	0	109.6	A18 D30 A146 K147	A18-F28 HydrophobicContact CB-CD2 4.37Å; A18-F28 HydrophobicContact CB-CE2 4.12Å; F28-D30 HydrophobicContact CE1-CB 3.9Å; F28-D30 WeakPolarHBondContact CE1-OD1 3.47Å; F28-A146 HydrophobicContact CD2-CB 4.04Å; F28-A146 HydrophobicContact CE2-CB 4.15Å; F28-K147 HydrophobicContact CD1-CB 4.41Å; F28-K147 HydrophobicContact CD1-CG 4.19Å; F28-K147 HydrophobicContact CD2-CB 4.24Å; F28-K147 HydrophobicContact CE1-CB 4.3Å; F28-K147 HydrophobicContact CE1-CG 4.13Å; F28-K147 HydrophobicContact CE2-CB 4.12Å; F28-K147 HydrophobicContact CG-CB 4.38Å; F28-K147 HydrophobicContact CZ-CB 4.15Å; F28-K147 HydrophobicContact CZ-CG 4.44Å
29	V	86.6	Confident	92	Very high	59 Å²	59	69.4 Å²	69.4	36%	0.358	35%	0.354	S	S	.	.			trans	-95.9	118.8	174.4	-176.1	0	0	0	0	108.1	I21 E31	I21-V29 HydrophobicContact CG2-CG2 4.29Å; V29-E31 HydrophobicContact CG1-CB 4.45Å
30	D	82.8	Confident	91.9	Very high	133 Å²	133	71.6 Å²	71.6	71%	0.711	36%	0.362	S	S	*	.			trans	-81.3	-26.6	-176.9	-156.4	23.6	0	0	0	112.3	F28	F28-D30 HydrophobicContact CE1-CB 3.9Å; F28-D30 WeakPolarHBondContact CE1-OD1 3.47Å
31	E	86.2	Confident	91.9	Very high	175 Å²	175	78.6 Å²	78.6	82%	0.818	39%	0.388	S	S	*	.	S	Bend	trans	-73.1	133.1	175.9	-67.8	-178.6	-174.6	0	0	111	V29	V29-E31 HydrophobicContact CG1-CB 4.45Å
32	Y	79.9	Confident	92	Very high	137 Å²	137	79.3 Å²	79.3	54%	0.537	39%	0.391	S	S	.	.			trans	-98	115.4	177.1	176.7	-109.9	0	0	0	110.7	G13 P34	G13-Y32 PolarHBondContact N-OH 3.41Å; G13-Y32 VanDerWaalsContact N-OH 3.16Å; Y32-P34 HydrophobicContact CE1-CB 4.5Å; Y32-P34 HydrophobicContact CE1-CG 3.77Å
33	D	87.3	Confident	92	Very high	133 Å²	133	84.8 Å²	84.8	71%	0.711	42%	0.416	S	S	*	.			trans	-115.1	123.6	166.6	-170.6	10	0	0	0	109.1	T35	D33-T35 PolarHBondContact O-N 2.92Å; D33-T35 VanDerWaalsContact O-N 3.08Å
34	P	91.6	Very high	92	Very high	51 Å²	51	85.2 Å²	85.2	33%	0.331	42%	0.419	S	S	.	.			trans	-62.9	110.7	178.7	-20.7	31.1	0	0	0	113.2	Y32	Y32-P34 HydrophobicContact CE1-CB 4.5Å; Y32-P34 HydrophobicContact CE1-CG 3.77Å
35	T	89	Confident	92.1	Very high	22 Å²	22	87.8 Å²	87.8	14%	0.135	44%	0.436	C	S	.	.			trans	-64	141.1	173.1	-53.1	0	0	0	0	112.1	S17 D33 D38 A59	S17-T35 PolarHBondContact OG-OG1 3.29Å; D33-T35 PolarHBondContact O-N 2.92Å; D33-T35 VanDerWaalsContact O-N 3.08Å; T35-D38 HydrophobicContact CG2-CB 4.38Å; T35-D38 WeakPolarHBondContact CG2-OD2 3.36Å; T35-A59 WeakPolarHBondContact O-CA 3.45Å; T35-A59 WeakPolarHBondContact O-CB 3.43Å
36	I	88.3	Confident	92.3	Very high	91 Å²	91	82.6 Å²	82.6	47%	0.467	41%	0.412	S	S	.	.	S	Bend	trans	-89.2	-62	165.6	-61.1	-179	0	0	0	108.6	A59 Y64	I36-A59 VanDerWaalsContact O-CB 3.26Å; I36-A59 WeakPolarHBondContact O-CB 3.49Å; I36-A59 PolarHBondContact O-N 2.98Å; I36-Y64 HydrophobicContact CB-CE1 4.5Å; I36-Y64 HydrophobicContact CD1-CE1 4.27Å; I36-Y64 WeakPolarHBondContact CD1-OH 3.28Å; I36-Y64 HydrophobicContact CG1-CE1 4.11Å; I36-Y64 HydrophobicContact CG1-CE2 4.39Å; I36-Y64 HydrophobicContact CG2-CD1 4.1Å; I36-Y64 HydrophobicContact CG2-CE1 3.81Å
37	E	92.3	Very high	92.5	Very high	74 Å²	74	83.3 Å²	83.3	35%	0.346	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.6	131.2	174.3	-175.1	177.2	91.3	0	0	108.1	L56 D57	E37-L56 HydrophobicContact CG-CD1 3.63Å; E37-L56 HydrophobicContact CG-CD2 4.4Å; E37-L56 HydrophobicContact CG-CG 4.1Å; E37-D57 WeakPolarHBondContact CA-O 3.21Å
38	D	95.3	Very high	92.7	Very high	72 Å²	72	81.8 Å²	81.8	39%	0.385	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	145.2	172.6	-76	-54.3	0	0	0	110.1	T35 Y40 D57	T35-D38 HydrophobicContact CG2-CB 4.38Å; T35-D38 WeakPolarHBondContact CG2-OD2 3.36Å; D38-Y40 HydrophobicContact CB-CD2 4.34Å; D38-Y40 HydrophobicContact CB-CE2 3.5Å; D38-Y40 VanDerWaalsContact CB-CE2 3.5Å; D38-D57 HydrophobicContact CB-CB 4.46Å; D38-D57 PolarHBondContact N-O 3.42Å; D38-D57 PolarHBondContact O-N 2.77Å
39	S	96.3	Very high	93	Very high	75 Å²	75	82.5 Å²	82.5	52%	0.524	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	130.1	177.8	177.1	0	0	0	0	110.7	I55	S39-I55 WeakPolarHBondContact CA-O 3.44Å
40	Y	97.7	Very high	93.5	Very high	47 Å²	47	82.6 Å²	82.6	18%	0.184	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	146.3	179.9	-60.1	-90.8	0	0	0	111	T20 I24 D38 I55 D57	T20-Y40 HydrophobicContact CG2-CD2 3.42Å; T20-Y40 VanDerWaalsContact CG2-CD2 3.42Å; T20-Y40 HydrophobicContact CG2-CE2 3.89Å; T20-Y40 HydrophobicContact CG2-CG 3.98Å; I24-Y40 HydrophobicContact CG1-CD1 4.2Å; I24-Y40 HydrophobicContact CG1-CG 4.07Å; I24-Y40 HydrophobicContact CG2-CD1 4.19Å; D38-Y40 HydrophobicContact CB-CD2 4.34Å; D38-Y40 HydrophobicContact CB-CE2 3.5Å; D38-Y40 VanDerWaalsContact CB-CE2 3.5Å; Y40-I55 PolarHBondContact N-O 2.93Å; Y40-I55 PolarHBondContact O-N 2.98Å; Y40-D57 HydrophobicContact CE2-CB 4.33Å
41	R	97.9	Very high	94.3	Very high	147 Å²	147	76.3 Å²	76.3	56%	0.555	40%	0.399	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.4	131.5	177.5	-71	179.8	171.1	-143.6	-16	111.1	E3 L52 L53 D54	E3-R41 IonicContact OE1-CZ 3.27Å; E3-R41 VanDerWaalsContact OE1-CZ 3.26Å; E3-R41 IonicContact OE1-NH1 3.57Å; E3-R41 IonicContact OE1-NH2 2.75Å; E3-R41 PolarHBondContact OE1-NH2 2.64Å; R41-L52 HydrophobicContact CB-CD1 4.27Å; R41-L53 VanDerWaalsContact CA-O 3.26Å; R41-L53 WeakPolarHBondContact CA-O 3.43Å; R41-D54 WeakPolarHBondContact CG-OD1 3.44Å; R41-D54 IonicContact CZ-OD1 3.9Å; R41-D54 IonicContact CZ-OD2 3.65Å; R41-D54 IonicContact NE-OD1 2.75Å; R41-D54 PolarHBondContact NE-OD1 3.09Å; R41-D54 IonicContact NE-OD2 3.59Å; R41-D54 VanDerWaalsContact NH2-CG 3.35Å; R41-D54 IonicContact NH2-OD1 3.7Å; R41-D54 IonicContact NH2-OD2 3.74Å; R41-D54 PolarHBondContact NH2-OD2 3.28Å
42	K	97.5	Very high	94.8	Very high	42 Å²	42	69.6 Å²	69.6	18%	0.183	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	128	176.9	-171.6	-176.5	-176	-176.6	0	111.5	L23 I24 V44 L53	L23-K42 HydrophobicContact CG-CD 4.27Å; L23-K42 PolarHBondContact O-NZ 3.05Å; I24-K42 HydrophobicContact CD1-CB 3.55Å; I24-K42 HydrophobicContact CD1-CD 4.26Å; I24-K42 HydrophobicContact CD1-CG 4.43Å; K42-V44 HydrophobicContact CD-CG1 3.8Å; K42-V44 HydrophobicContact CG-CG1 3.85Å; K42-L53 PolarHBondContact N-O 3.11Å; K42-L53 PolarHBondContact O-N 3.05Å
43	Q	98.3	Very high	95.7	Very high	126 Å²	126	63 Å²	63	59%	0.589	34%	0.343	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81	129.4	169.4	-173.5	176.7	30	0	0	109.7	M1 T50 C51	M1-Q43 HydrophobicContact SD-CG 3.83Å; M1-Q43 PolarHBondContact SD-NE2 3.27Å; Q43-T50 HydrophobicContact CG-CG2 3.85Å; Q43-T50 VanDerWaalsContact NE2-CG2 3.31Å; Q43-C51 WeakPolarHBondContact CA-O 3.26Å
44	V	97.9	Very high	96.3	Very high	11 Å²	11	57.9 Å²	57.9	7%	0.067	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	164.1	-179.8	-62.5	0	0	0	0	110.7	K42 I46 T50 C51 L53 Y157	K42-V44 HydrophobicContact CD-CG1 3.8Å; K42-V44 HydrophobicContact CG-CG1 3.85Å; V44-I46 HydrophobicContact CG2-CD1 3.76Å; V44-I46 HydrophobicContact CG2-CG1 3.84Å; V44-T50 WeakPolarHBondContact O-CA 3.42Å; V44-C51 PolarHBondContact N-O 3.37Å; V44-C51 PolarHBondContact O-N 2.98Å; V44-L53 HydrophobicContact CG1-CD1 4.45Å; V44-L53 HydrophobicContact CG2-CD1 3.88Å; V44-L53 HydrophobicContact CG2-CD2 4.04Å; V44-L53 HydrophobicContact CG2-CG 3.76Å; V44-Y157 HydrophobicContact CB-CE1 4.26Å; V44-Y157 HydrophobicContact CG1-CE1 4.21Å; V44-Y157 HydrophobicContact CG2-CE1 4.1Å
45	V	98.1	Very high	96.6	Very high	89 Å²	89	55.4 Å²	55.4	54%	0.539	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	116	172.2	-177.8	0	0	0	0	108.3	E49	V45-E49 WeakPolarHBondContact CA-O 3.44Å
46	I	98.2	Very high	97.1	Very high	2 Å²	2	55.8 Å²	55.8	1%	0.01	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	117.1	179.8	-58.2	170.5	0	0	0	108.1	V44 G48 E49 L53 Y157 V160 R164	V44-I46 HydrophobicContact CG2-CD1 3.76Å; V44-I46 HydrophobicContact CG2-CG1 3.84Å; I46-G48 VanDerWaalsContact C-N 3.29Å; I46-G48 PolarHBondContact O-N 3.3Å; I46-E49 PolarHBondContact N-O 2.86Å; I46-E49 PolarHBondContact O-N 2.88Å; I46-L53 HydrophobicContact CD1-CD2 4.25Å; I46-Y157 HydrophobicContact CD1-CD1 3.42Å; I46-Y157 VanDerWaalsContact CD1-CD1 3.42Å; I46-Y157 HydrophobicContact CD1-CE1 4.04Å; I46-Y157 HydrophobicContact CD1-CG 3.8Å; I46-Y157 HydrophobicContact CG1-CD1 3.74Å; I46-Y157 HydrophobicContact CG1-CD2 4.2Å; I46-Y157 HydrophobicContact CG1-CE1 4.13Å; I46-Y157 HydrophobicContact CG1-CG 3.79Å; I46-V160 HydrophobicContact CD1-CB 3.82Å; I46-V160 HydrophobicContact CD1-CG1 3.89Å; I46-V160 HydrophobicContact CD1-CG2 3.72Å; I46-R164 PolarHBondContact O-NH1 3.01Å; I46-R164 PolarHBondContact O-NH2 3.31Å
47	D	97.2	Very high	97.4	Very high	102 Å²	102	51.4 Å²	51.4	55%	0.545	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.1	40.8	-177.9	-47.1	-37.7	0	0	0	112.5	E49 R161 R164	D47-E49 PolarHBondContact O-N 3.37Å; D47-R161 IonicContact OD1-CZ 3.57Å; D47-R161 IonicContact OD1-NE 3.26Å; D47-R161 PolarHBondContact OD1-NE 2.9Å; D47-R161 IonicContact OD1-NH2 3.04Å; D47-R161 PolarHBondContact OD1-NH2 3.33Å; D47-R161 WeakPolarHBondContact OD2-CG 3.42Å; D47-R161 IonicContact OD2-CZ 3.83Å; D47-R161 IonicContact OD2-NE 3.66Å; D47-R161 PolarHBondContact OD2-NE 3.13Å; D47-R161 IonicContact OD2-NH2 2.74Å; D47-R164 IonicContact OD2-NH1 2.87Å; D47-R164 PolarHBondContact OD2-NH1 2.56Å
48	G	96.8	Very high	97.6	Very high	72 Å²	72	48 Å²	48	74%	0.742	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.7	-9.9	-179.2	0	0	0	0	0	115.1	I46	I46-G48 VanDerWaalsContact C-N 3.29Å; I46-G48 PolarHBondContact O-N 3.3Å
49	E	97.1	Very high	97.5	Very high	72 Å²	72	44.8 Å²	44.8	34%	0.336	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	126.3	176.6	-172.6	-167.2	167.7	0	0	110.7	T2 V45 I46 D47 R164	T2-E49 PolarHBondContact OG1-OE1 3.42Å; V45-E49 WeakPolarHBondContact CA-O 3.44Å; I46-E49 PolarHBondContact N-O 2.86Å; I46-E49 PolarHBondContact O-N 2.88Å; D47-E49 PolarHBondContact O-N 3.37Å; E49-R164 IonicContact OE2-CZ 3.17Å; E49-R164 VanDerWaalsContact OE2-CZ 3.27Å; E49-R164 IonicContact OE2-NE 3.42Å; E49-R164 PolarHBondContact OE2-NE 3.41Å; E49-R164 IonicContact OE2-NH2 3.56Å; E49-R164 PolarHBondContact OE2-NH2 3.12Å
50	T	98.2	Very high	97.1	Very high	62 Å²	62	41.7 Å²	41.7	38%	0.38	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	128	170.9	-55.3	0	0	0	0	110	M1 Q43 V44	M1-T50 HydrophobicContact CG-CG2 4.47Å; M1-T50 WeakPolarHBondContact CG-O 3.38Å; M1-T50 HydrophobicContact SD-CG2 3.79Å; Q43-T50 HydrophobicContact CG-CG2 3.85Å; Q43-T50 VanDerWaalsContact NE2-CG2 3.31Å; V44-T50 WeakPolarHBondContact O-CA 3.42Å
51	C	98.4	Very high	96.5	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	162.7	178.8	63.5	0	0	0	0	112.1	T2 Y4 Q43 V44	T2-C51 CarbonylContact O-C 3.48Å; T2-C51 VanDerWaalsContact O-CA 3.3Å; T2-C51 WeakPolarHBondContact O-CA 3.35Å; T2-C51 VanDerWaalsContact O-CB 3.31Å; T2-C51 WeakPolarHBondContact O-CB 3.48Å; Y4-C51 HydrophobicContact CD2-CB 3.77Å; Y4-C51 HydrophobicContact CE2-CB 3.54Å; Q43-C51 WeakPolarHBondContact CA-O 3.26Å; V44-C51 PolarHBondContact N-O 3.37Å; V44-C51 PolarHBondContact O-N 2.98Å
52	L	98.7	Very high	95.8	Very high	34 Å²	34	40.4 Å²	40.4	18%	0.178	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	123.1	173.5	-177.8	66.6	0	0	0	108.9	M1 T2 E3 Y4 R41	M1-L52 HydrophobicContact CE-CB 3.82Å; M1-L52 HydrophobicContact SD-CB 4.28Å; T2-L52 PolarHBondContact O-N 3.07Å; E3-L52 CarbonylContact C-O 3.28Å; E3-L52 WeakPolarHBondContact CA-O 3.35Å; E3-L52 HydrophobicContact CB-CB 4.41Å; E3-L52 HydrophobicContact CG-CB 4.43Å; E3-L52 HydrophobicContact CG-CD2 4.12Å; E3-L52 HydrophobicContact CG-CG 4.4Å; Y4-L52 PolarHBondContact N-O 2.72Å; R41-L52 HydrophobicContact CB-CD1 4.27Å
53	L	98.7	Very high	95.2	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	121.9	168.5	-49	-173.2	0	0	0	108.1	Y4 L6 L23 R41 K42 V44 I46 I55 Y157 V160	Y4-L53 HydrophobicContact CD2-CD2 4.44Å; L6-L53 HydrophobicContact CD1-CB 4.37Å; L6-L53 HydrophobicContact CD1-CD1 4.32Å; L6-L53 HydrophobicContact CD1-CD2 4.22Å; L23-L53 HydrophobicContact CD2-CD1 4.14Å; R41-L53 VanDerWaalsContact CA-O 3.26Å; R41-L53 WeakPolarHBondContact CA-O 3.43Å; K42-L53 PolarHBondContact N-O 3.11Å; K42-L53 PolarHBondContact O-N 3.05Å; V44-L53 HydrophobicContact CG1-CD1 4.45Å; V44-L53 HydrophobicContact CG2-CD1 3.88Å; V44-L53 HydrophobicContact CG2-CD2 4.04Å; V44-L53 HydrophobicContact CG2-CG 3.76Å; I46-L53 HydrophobicContact CD1-CD2 4.25Å; L53-I55 HydrophobicContact CB-CD1 4.12Å; L53-I55 HydrophobicContact CB-CG1 3.92Å; L53-I55 HydrophobicContact CD1-CD1 4.41Å; L53-Y157 HydrophobicContact CD1-CE1 4.35Å; L53-V160 HydrophobicContact CD2-CG2 3.55Å
54	D	98.5	Very high	94.5	Very high	24 Å²	24	42.8 Å²	42.8	13%	0.128	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	97.4	169.5	-169	22	0	0	0	107.2	E3 Y4 K5 L6 R41	E3-D54 HydrophobicContact CG-CB 4.12Å; Y4-D54 PolarHBondContact O-N 3.06Å; K5-D54 CarbonylContact C-O 3.54Å; K5-D54 WeakPolarHBondContact CA-O 3.36Å; K5-D54 HydrophobicContact CG-CB 4.37Å; L6-D54 PolarHBondContact N-O 2.96Å; R41-D54 WeakPolarHBondContact CG-OD1 3.44Å; R41-D54 IonicContact CZ-OD1 3.9Å; R41-D54 IonicContact CZ-OD2 3.65Å; R41-D54 IonicContact NE-OD1 2.75Å; R41-D54 PolarHBondContact NE-OD1 3.09Å; R41-D54 IonicContact NE-OD2 3.59Å; R41-D54 VanDerWaalsContact NH2-CG 3.35Å; R41-D54 IonicContact NH2-OD1 3.7Å; R41-D54 IonicContact NH2-OD2 3.74Å; R41-D54 PolarHBondContact NH2-OD2 3.28Å
55	I	98.8	Very high	93.9	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	120.5	-168.8	-52.2	178.1	0	0	0	108.7	L6 V8 T20 L23 I24 S39 Y40 L53 F156	L6-I55 HydrophobicContact CB-CG1 4.38Å; L6-I55 HydrophobicContact CD1-CG1 4.33Å; L6-I55 WeakPolarHBondContact O-CA 3.47Å; V8-I55 HydrophobicContact CG2-CG2 3.87Å; T20-I55 HydrophobicContact CG2-CB 4.48Å; T20-I55 HydrophobicContact CG2-CG2 3.88Å; L23-I55 HydrophobicContact CD2-CD1 3.51Å; I24-I55 HydrophobicContact CD1-CD1 4.11Å; S39-I55 WeakPolarHBondContact CA-O 3.44Å; Y40-I55 PolarHBondContact N-O 2.93Å; Y40-I55 PolarHBondContact O-N 2.98Å; L53-I55 HydrophobicContact CB-CD1 4.12Å; L53-I55 HydrophobicContact CB-CG1 3.92Å; L53-I55 HydrophobicContact CD1-CD1 4.41Å; I55-F156 HydrophobicContact CD1-CD1 3.91Å; I55-F156 HydrophobicContact CD1-CE1 3.77Å; I55-F156 HydrophobicContact CG1-CE1 4.44Å; I55-F156 HydrophobicContact CG2-CE1 3.88Å
56	L	98.1	Very high	93.3	Very high	29 Å²	29	44.8 Å²	44.8	15%	0.152	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	114.7	169.5	-164.7	75.7	0	0	0	109.8	L6 V7 V8 E37 T58 Y71	L6-L56 PolarHBondContact O-N 3.21Å; V7-L56 HydrophobicContact CG1-CD2 4.47Å; V7-L56 HydrophobicContact CG2-CB 4.29Å; V8-L56 PolarHBondContact N-O 3.24Å; E37-L56 HydrophobicContact CG-CD1 3.63Å; E37-L56 HydrophobicContact CG-CD2 4.4Å; E37-L56 HydrophobicContact CG-CG 4.1Å; L56-T58 HydrophobicContact CD2-CG2 4.24Å; L56-T58 HydrophobicContact CG-CG2 4.38Å; L56-Y71 HydrophobicContact CD2-CD1 4.37Å; L56-Y71 HydrophobicContact CD2-CG 4.04Å
57	D	96.3	Very high	92.7	Very high	0 Å²	0	48 Å²	48	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	127.9	169.4	-176.5	32.2	0	0	0	109.4	K16 S17 T20 E37 D38 Y40	K16-D57 WeakPolarHBondContact CB-OD1 3.33Å; S17-D57 WeakPolarHBondContact CA-OD2 3.36Å; S17-D57 WeakPolarHBondContact CB-OD2 3.23Å; S17-D57 PolarHBondContact N-OD1 3.04Å; S17-D57 PolarHBondContact OG-OD2 2.88Å; T20-D57 HydrophobicContact CG2-CB 4.47Å; E37-D57 WeakPolarHBondContact CA-O 3.21Å; D38-D57 HydrophobicContact CB-CB 4.46Å; D38-D57 PolarHBondContact N-O 3.42Å; D38-D57 PolarHBondContact O-N 2.77Å; Y40-D57 HydrophobicContact CE2-CB 4.33Å
58	T	95.9	Very high	92.5	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.006	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	159	-168.3	78.9	0	0	0	0	112.7	V7 V8 K16 L56 Y71	V7-T58 HydrophobicContact CG1-CG2 3.65Å; V8-T58 WeakPolarHBondContact O-CG2 3.45Å; V8-T58 PolarHBondContact O-OG1 3.21Å; K16-T58 WeakPolarHBondContact CE-O 3.23Å; K16-T58 PolarHBondContact NZ-O 3.3Å; L56-T58 HydrophobicContact CD2-CG2 4.24Å; L56-T58 HydrophobicContact CG-CG2 4.38Å; T58-Y71 HydrophobicContact CG2-CD1 3.87Å; T58-Y71 HydrophobicContact CG2-CD2 4.19Å; T58-Y71 HydrophobicContact CG2-CE1 3.69Å; T58-Y71 HydrophobicContact CG2-CE2 4.08Å; T58-Y71 HydrophobicContact CG2-CG 4.09Å
59	A	93.3	Very high	92.3	Very high	5 Å²	5	42.7 Å²	42.7	4%	0.041	23%	0.231	C	C	.	.			trans	-55.2	142	163.3	0	0	0	0	0	111.8	T35 I36 Y64	T35-A59 WeakPolarHBondContact O-CA 3.45Å; T35-A59 WeakPolarHBondContact O-CB 3.43Å; I36-A59 VanDerWaalsContact O-CB 3.26Å; I36-A59 WeakPolarHBondContact O-CB 3.49Å; I36-A59 PolarHBondContact O-N 2.98Å; A59-Y64 HydrophobicContact CB-CD2 3.6Å; A59-Y64 HydrophobicContact CB-CE2 4.49Å; A59-Y64 HydrophobicContact CB-CG 3.73Å
60	G	87	Confident	92.1	Very high	10 Å²	10	45.2 Å²	45.2	10%	0.103	24%	0.243	C	C	.	.			trans	-105.4	0.5	170	0	0	0	0	0	114.4	G10 A11 G12 K16	G10-G60 VanDerWaalsContact O-CA 3.29Å; G10-G60 WeakPolarHBondContact O-CA 3.2Å; A11-G60 CarbonylContact C-O 3.58Å; G12-G60 PolarHBondContact N-O 2.85Å; K16-G60 VanDerWaalsContact NZ-CA 3.31Å
61	Q	85.1	Confident	91.9	Very high	65 Å²	65	42.6 Å²	42.6	30%	0.304	23%	0.226	S	C	.	.	S	Bend	trans	-87.3	153.5	-179.1	-45.5	-177.2	58.7	0	0	110.4	E63 Y64 R68	Q61-E63 VanDerWaalsContact C-N 3.32Å; Q61-E63 VanDerWaalsContact CB-OE2 3.24Å; Q61-E63 WeakPolarHBondContact CB-OE2 3.34Å; Q61-Y64 HydrophobicContact CB-CD2 4.14Å; Q61-Y64 PolarHBondContact O-N 2.96Å; Q61-R68 PolarHBondContact O-NH2 3.35Å
62	E	84.4	Confident	91.8	Very high	102 Å²	102	42.6 Å²	42.6	48%	0.477	23%	0.226	S	C	.	.	G	3₁₀ helix	trans	-75.2	-24	-176.1	-72.2	-56.4	125.5	0	0	112.5	Y64 S65 R68	E62-Y64 PolarHBondContact O-N 2.93Å; E62-S65 WeakPolarHBondContact O-CB 3.36Å; E62-S65 PolarHBondContact O-N 2.81Å; E62-S65 PolarHBondContact O-OG 2.82Å; E62-R68 IonicContact OE1-CZ 2.74Å; E62-R68 IonicContact OE1-NH1 2.7Å; E62-R68 PolarHBondContact OE1-NH1 3.47Å; E62-R68 IonicContact OE1-NH2 2.93Å; E62-R68 PolarHBondContact OE1-NH2 3.28Å; E62-R68 IonicContact OE2-NH1 3.6Å; E62-R68 IonicContact OE2-NH2 3.93Å
63	E	84.9	Confident	91.7	Very high	147 Å²	147	48.3 Å²	48.3	69%	0.687	25%	0.245	S	C	*	.	G	3₁₀ helix	trans	-59.1	-27.8	175.9	-65.3	80.6	177.1	0	0	111.9	Q61	Q61-E63 VanDerWaalsContact C-N 3.32Å; Q61-E63 VanDerWaalsContact CB-OE2 3.24Å; Q61-E63 WeakPolarHBondContact CB-OE2 3.34Å
64	Y	83.8	Confident	91.6	Very high	71 Å²	71	52.3 Å²	52.3	28%	0.278	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-97.8	12.1	176.9	-57.8	-76.8	0	0	0	112.9	I36 A59 Q61 E62 A66 M67	I36-Y64 HydrophobicContact CB-CE1 4.5Å; I36-Y64 HydrophobicContact CD1-CE1 4.27Å; I36-Y64 WeakPolarHBondContact CD1-OH 3.28Å; I36-Y64 HydrophobicContact CG1-CE1 4.11Å; I36-Y64 HydrophobicContact CG1-CE2 4.39Å; I36-Y64 HydrophobicContact CG2-CD1 4.1Å; I36-Y64 HydrophobicContact CG2-CE1 3.81Å; A59-Y64 HydrophobicContact CB-CD2 3.6Å; A59-Y64 HydrophobicContact CB-CE2 4.49Å; A59-Y64 HydrophobicContact CB-CG 3.73Å; Q61-Y64 HydrophobicContact CB-CD2 4.14Å; Q61-Y64 PolarHBondContact O-N 2.96Å; E62-Y64 PolarHBondContact O-N 2.93Å; Y64-A66 PolarHBondContact O-N 2.87Å; Y64-M67 HydrophobicContact CD1-SD 4.01Å; Y64-M67 PolarHBondContact O-N 2.88Å
65	S	84.4	Confident	91.5	Very high	48 Å²	48	51.2 Å²	51.2	34%	0.336	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-59	-30.5	-179.8	58	0	0	0	0	113.2	E62 M67 R68	E62-S65 WeakPolarHBondContact O-CB 3.36Å; E62-S65 PolarHBondContact O-N 2.81Å; E62-S65 PolarHBondContact O-OG 2.82Å; S65-M67 PolarHBondContact O-N 3.4Å; S65-R68 WeakPolarHBondContact O-CB 3.48Å; S65-R68 VanDerWaalsContact O-CG 3.26Å; S65-R68 WeakPolarHBondContact O-CG 3.39Å; S65-R68 PolarHBondContact O-N 2.95Å
66	A	85.3	Confident	91.5	Very high	94 Å²	94	53.9 Å²	53.9	78%	0.777	28%	0.276	S	S	*	.	G	3₁₀ helix	trans	-66	-22.9	177.4	0	0	0	0	0	113.6	Y64	Y64-A66 PolarHBondContact O-N 2.87Å
67	M	86.9	Confident	91.5	Very high	70 Å²	70	52.5 Å²	52.5	35%	0.345	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-86.2	-12.9	179.2	-63.8	176.1	66.1	0	0	112.7	Y64 S65 D69 Q70	Y64-M67 HydrophobicContact CD1-SD 4.01Å; Y64-M67 PolarHBondContact O-N 2.88Å; S65-M67 PolarHBondContact O-N 3.4Å; M67-D69 VanDerWaalsContact C-N 3.31Å; M67-D69 PolarHBondContact O-N 3.23Å; M67-Q70 WeakPolarHBondContact O-CB 2.89Å; M67-Q70 PolarHBondContact O-N 3.07Å; M67-Q70 VanDerWaalsContact O-N 3.1Å
68	R	91.4	Very high	91.7	Very high	9 Å²	9	52.5 Å²	52.5	3%	0.034	27%	0.269	C	S	.	.	H	α-helix	trans	-60.1	-40.3	-172.4	-58.6	-170.8	174.3	155.7	4.2	113.2	Q61 E62 S65 Q70 Y71 M72 Y96	Q61-R68 PolarHBondContact O-NH2 3.35Å; E62-R68 IonicContact OE1-CZ 2.74Å; E62-R68 IonicContact OE1-NH1 2.7Å; E62-R68 PolarHBondContact OE1-NH1 3.47Å; E62-R68 IonicContact OE1-NH2 2.93Å; E62-R68 PolarHBondContact OE1-NH2 3.28Å; E62-R68 IonicContact OE2-NH1 3.6Å; E62-R68 IonicContact OE2-NH2 3.93Å; S65-R68 WeakPolarHBondContact O-CB 3.48Å; S65-R68 VanDerWaalsContact O-CG 3.26Å; S65-R68 WeakPolarHBondContact O-CG 3.39Å; S65-R68 PolarHBondContact O-N 2.95Å; R68-Q70 PolarHBondContact O-N 3.04Å; R68-Y71 VanDerWaalsContact CA-CZ 3.41Å; R68-Y71 HydrophobicContact CB-CE1 4.27Å; R68-Y71 HydrophobicContact CB-CE2 4.13Å; R68-Y71 HydrophobicContact CG-CE1 4.27Å; R68-Y71 WeakPolarHBondContact CG-OH 3.26Å; R68-Y71 VanDerWaalsContact O-CD2 3.23Å; R68-Y71 WeakPolarHBondContact O-CD2 3.45Å; R68-Y71 WeakPolarHBondContact O-CE2 3.48Å; R68-Y71 PolarHBondContact O-N 3.13Å; R68-M72 HydrophobicContact CB-CE 4.07Å; R68-M72 HydrophobicContact CB-SD 4.41Å; R68-M72 WeakPolarHBondContact O-CB 3.32Å; R68-M72 WeakPolarHBondContact O-CG 3.28Å; R68-M72 PolarHBondContact O-N 2.91Å; R68-Y96 PolarHBondContact NH2-OH 2.88Å; R68-Y96 VanDerWaalsContact NH2-OH 3.1Å
69	D	93.9	Very high	91.8	Very high	53 Å²	53	52.5 Å²	52.5	28%	0.283	27%	0.269	S	S	.	.	H	α-helix	trans	-63.3	-28.1	-179	-75.7	17.2	0	0	0	112.4	M67 R73 Q99 R102 V103	M67-D69 VanDerWaalsContact C-N 3.31Å; M67-D69 PolarHBondContact O-N 3.23Å; D69-R73 WeakPolarHBondContact O-CB 3.4Å; D69-R73 PolarHBondContact O-N 2.9Å; D69-R73 VanDerWaalsContact O-N 3.13Å; D69-Q99 PolarHBondContact OD1-NE2 3.43Å; D69-R102 IonicContact OD1-NH2 3.99Å; D69-V103 HydrophobicContact CB-CG2 4.04Å; D69-V103 WeakPolarHBondContact O-CG1 3.31Å; D69-V103 WeakPolarHBondContact OD1-CG2 3.46Å
70	Q	93.4	Very high	92.1	Very high	125 Å²	125	52.3 Å²	52.3	58%	0.584	27%	0.267	S	S	*	.	H	α-helix	trans	-67.1	-56.3	179.3	179.6	177.5	-43.1	0	0	111	M67 R68 M72 R73 T74	M67-Q70 WeakPolarHBondContact O-CB 2.89Å; M67-Q70 PolarHBondContact O-N 3.07Å; M67-Q70 VanDerWaalsContact O-N 3.1Å; R68-Q70 PolarHBondContact O-N 3.04Å; Q70-M72 VanDerWaalsContact C-N 3.33Å; Q70-M72 PolarHBondContact O-N 3.3Å; Q70-R73 WeakPolarHBondContact O-CB 3.2Å; Q70-R73 PolarHBondContact O-N 3.39Å; Q70-T74 PolarHBondContact O-N 3.27Å; Q70-T74 PolarHBondContact O-OG1 2.84Å
71	Y	94	Very high	92.6	Very high	8 Å²	8	51.8 Å²	51.8	3%	0.031	26%	0.262	C	S	.	.	H	α-helix	trans	-70.8	-30.4	-178.5	56.6	-118.5	0	0	0	112.9	V7 V9 L56 T58 R68 R73 T74 G75	V7-Y71 HydrophobicContact CG1-CD2 3.67Å; V7-Y71 HydrophobicContact CG1-CE2 4.16Å; V7-Y71 HydrophobicContact CG1-CG 4.24Å; V9-Y71 HydrophobicContact CG1-CE2 3.76Å; L56-Y71 HydrophobicContact CD2-CD1 4.37Å; L56-Y71 HydrophobicContact CD2-CG 4.04Å; T58-Y71 HydrophobicContact CG2-CD1 3.87Å; T58-Y71 HydrophobicContact CG2-CD2 4.19Å; T58-Y71 HydrophobicContact CG2-CE1 3.69Å; T58-Y71 HydrophobicContact CG2-CE2 4.08Å; T58-Y71 HydrophobicContact CG2-CG 4.09Å; R68-Y71 VanDerWaalsContact CA-CZ 3.41Å; R68-Y71 HydrophobicContact CB-CE1 4.27Å; R68-Y71 HydrophobicContact CB-CE2 4.13Å; R68-Y71 HydrophobicContact CG-CE1 4.27Å; R68-Y71 WeakPolarHBondContact CG-OH 3.26Å; R68-Y71 VanDerWaalsContact O-CD2 3.23Å; R68-Y71 WeakPolarHBondContact O-CD2 3.45Å; R68-Y71 WeakPolarHBondContact O-CE2 3.48Å; R68-Y71 PolarHBondContact O-N 3.13Å; Y71-R73 VanDerWaalsContact C-N 3.26Å; Y71-R73 PolarHBondContact O-N 2.95Å; Y71-T74 PolarHBondContact O-N 2.83Å; Y71-T74 PolarHBondContact O-OG1 2.98Å; Y71-G75 PolarHBondContact O-N 3.37Å
72	M	96.2	Very high	93.3	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-66.2	-32.4	175	-71.9	178	-177	0	0	111.4	R68 Q70 F78 Y96 Q99 I100 V103 K104	R68-M72 HydrophobicContact CB-CE 4.07Å; R68-M72 HydrophobicContact CB-SD 4.41Å; R68-M72 WeakPolarHBondContact O-CB 3.32Å; R68-M72 WeakPolarHBondContact O-CG 3.28Å; R68-M72 PolarHBondContact O-N 2.91Å; Q70-M72 VanDerWaalsContact C-N 3.33Å; Q70-M72 PolarHBondContact O-N 3.3Å; M72-F78 HydrophobicContact CB-CE1 4.3Å; M72-F78 HydrophobicContact CB-CZ 4.47Å; M72-F78 HydrophobicContact CG-CE1 4.08Å; M72-F78 WeakPolarHBondContact O-CZ 3.07Å; M72-Y96 HydrophobicContact CE-CD1 4.15Å; M72-Q99 HydrophobicContact CE-CB 4.14Å; M72-Q99 HydrophobicContact CE-CG 4.08Å; M72-Q99 HydrophobicContact SD-CB 3.99Å; M72-Q99 HydrophobicContact SD-CG 3.59Å; M72-Q99 VanDerWaalsContact SD-CG 3.59Å; M72-I100 HydrophobicContact CE-CG1 3.79Å; M72-I100 HydrophobicContact CG-CG1 3.91Å; M72-I100 HydrophobicContact SD-CB 4.44Å; M72-I100 HydrophobicContact SD-CG1 3.72Å; M72-V103 HydrophobicContact CB-CB 4Å; M72-V103 HydrophobicContact CB-CG1 3.74Å; M72-V103 HydrophobicContact CB-CG2 4.34Å; M72-V103 HydrophobicContact SD-CG2 4.42Å; M72-K104 WeakPolarHBondContact O-CE 3.34Å; M72-K104 PolarHBondContact O-NZ 2.93Å; M72-K104 VanDerWaalsContact O-NZ 3.11Å
73	R	96.6	Very high	94	Very high	154 Å²	154	43.9 Å²	43.9	58%	0.581	23%	0.226	S	C	*	.	H	α-helix	trans	-66.4	-41.7	175.2	-163.8	-178.9	-50	-72.8	-6.8	111.7	D69 Q70 Y71 V103 K104	D69-R73 WeakPolarHBondContact O-CB 3.4Å; D69-R73 PolarHBondContact O-N 2.9Å; D69-R73 VanDerWaalsContact O-N 3.13Å; Q70-R73 WeakPolarHBondContact O-CB 3.2Å; Q70-R73 PolarHBondContact O-N 3.39Å; Y71-R73 VanDerWaalsContact C-N 3.26Å; Y71-R73 PolarHBondContact O-N 2.95Å; R73-V103 HydrophobicContact CB-CG1 4.02Å; R73-K104 PolarHBondContact O-NZ 3.34Å
74	T	94.8	Very high	94.6	Very high	83 Å²	83	36.9 Å²	36.9	51%	0.509	19%	0.193	S	C	.	.	H	α-helix	trans	-88	-25.2	-173.9	54.2	0	0	0	0	114.9	Q70 Y71	Q70-T74 PolarHBondContact O-N 3.27Å; Q70-T74 PolarHBondContact O-OG1 2.84Å; Y71-T74 PolarHBondContact O-N 2.83Å; Y71-T74 PolarHBondContact O-OG1 2.98Å
75	G	98	Very high	95.3	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.01	19%	0.193	C	C	.	.			trans	-68	136.5	-179	0	0	0	0	0	113.5	Y71 K104	Y71-G75 PolarHBondContact O-N 3.37Å; G75-K104 WeakPolarHBondContact O-CE 3.33Å; G75-K104 PolarHBondContact O-NZ 3.25Å
76	E	98.4	Very high	96	Very high	57 Å²	57	36.7 Å²	36.7	27%	0.266	19%	0.193	S	C	.	.	S	Bend	trans	-86.7	-26.5	176	-70	178.5	110.4	0	0	112.9	Y4 K5 I163 K167	Y4-E76 WeakPolarHBondContact CA-OE2 3.37Å; K5-E76 HydrophobicContact CB-CB 4.48Å; K5-E76 HydrophobicContact CB-CG 4.19Å; K5-E76 PolarHBondContact N-OE2 3.2Å; K5-E76 PolarHBondContact O-N 3.01Å; E76-I163 HydrophobicContact CB-CD1 4.04Å; E76-I163 HydrophobicContact CB-CG1 4.42Å; E76-I163 HydrophobicContact CB-CG2 4.21Å; E76-K167 VanDerWaalsContact OE1-CE 3.23Å; E76-K167 WeakPolarHBondContact OE1-CE 3.44Å; E76-K167 IonicContact OE1-NZ 3.47Å; E76-K167 PolarHBondContact OE1-NZ 2.76Å
77	G	98.8	Very high	96.6	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154	159.2	172.9	0	0	0	0	0	112.3	K5 V7 P110	K5-G77 PolarHBondContact O-N 3.26Å; V7-G77 PolarHBondContact N-O 2.75Å; G77-P110 CarbonylContact C-O 3.56Å; G77-P110 WeakPolarHBondContact CA-O 3.4Å
78	F	98.9	Very high	97.2	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	129	-170.5	-53.9	-93.2	0	0	0	112.7	V7 V9 M72 I100 V109 P110 M111 V112	V7-F78 HydrophobicContact CB-CD1 3.72Å; V7-F78 HydrophobicContact CB-CE1 3.83Å; V7-F78 HydrophobicContact CG1-CD1 4.23Å; V7-F78 HydrophobicContact CG1-CE1 4.31Å; V7-F78 HydrophobicContact CG2-CD1 4.39Å; V7-F78 HydrophobicContact CG2-CE1 4.02Å; V7-F78 CarbonylContact O-C 3.58Å; V7-F78 VanDerWaalsContact O-CA 3.3Å; V7-F78 WeakPolarHBondContact O-CA 3.46Å; V9-F78 HydrophobicContact CG1-CD1 4.41Å; M72-F78 HydrophobicContact CB-CE1 4.3Å; M72-F78 HydrophobicContact CB-CZ 4.47Å; M72-F78 HydrophobicContact CG-CE1 4.08Å; M72-F78 WeakPolarHBondContact O-CZ 3.07Å; F78-I100 HydrophobicContact CB-CD1 3.79Å; F78-I100 HydrophobicContact CD1-CD1 3.76Å; F78-I100 HydrophobicContact CD1-CG1 4.01Å; F78-I100 HydrophobicContact CD2-CD1 4.17Å; F78-I100 HydrophobicContact CD2-CG1 4.43Å; F78-I100 HydrophobicContact CD2-CG2 3.67Å; F78-I100 HydrophobicContact CE1-CD1 4.47Å; F78-I100 HydrophobicContact CE1-CG1 4.24Å; F78-I100 HydrophobicContact CE2-CG2 3.62Å; F78-I100 HydrophobicContact CG-CD1 3.61Å; F78-I100 HydrophobicContact CG-CG1 4.14Å; F78-I100 HydrophobicContact CG-CG2 4.22Å; F78-I100 HydrophobicContact CZ-CG2 4.13Å; F78-V109 HydrophobicContact CD2-CG1 3.81Å; F78-V109 HydrophobicContact CE2-CG1 3.67Å; F78-P110 PolarHBondContact N-O 2.76Å; F78-M111 HydrophobicContact CB-CG 4.12Å; F78-M111 HydrophobicContact CD2-CG 4.35Å; F78-M111 CarbonylContact O-C 3.53Å; F78-M111 WeakPolarHBondContact O-CA 3.39Å; F78-V112 PolarHBondContact O-N 2.98Å
79	L	98.9	Very high	97.5	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	116.2	160.7	-68.4	-171.6	0	0	0	108.2	V7 V8 V9 V81 V112 V114 A155 F156 L159	V7-L79 PolarHBondContact O-N 2.98Å; V8-L79 HydrophobicContact CG1-CB 4.26Å; V8-L79 HydrophobicContact CG2-CD1 4.42Å; V9-L79 WeakPolarHBondContact CG2-O 3.35Å; V9-L79 PolarHBondContact N-O 2.89Å; L79-V81 HydrophobicContact CB-CG2 4.16Å; L79-V112 HydrophobicContact CD2-CB 3.78Å; L79-V112 HydrophobicContact CD2-CG1 4.29Å; L79-V112 HydrophobicContact CD2-CG2 4.44Å; L79-V114 HydrophobicContact CB-CG2 4.34Å; L79-V114 HydrophobicContact CD2-CG2 3.9Å; L79-A155 HydrophobicContact CD1-CB 4.46Å; L79-A155 HydrophobicContact CD2-CB 4.43Å; L79-F156 HydrophobicContact CD1-CD1 3.61Å; L79-F156 HydrophobicContact CD1-CD2 4.01Å; L79-F156 HydrophobicContact CD1-CE1 3.45Å; L79-F156 VanDerWaalsContact CD1-CE1 3.45Å; L79-F156 HydrophobicContact CD1-CE2 3.88Å; L79-F156 HydrophobicContact CD1-CG 3.89Å; L79-F156 HydrophobicContact CD1-CZ 3.6Å; L79-F156 HydrophobicContact CG-CE1 4.49Å; L79-L159 HydrophobicContact CD2-CB 3.95Å; L79-L159 HydrophobicContact CD2-CD2 3.8Å; L79-L159 HydrophobicContact CD2-CG 4.4Å; L79-L159 HydrophobicContact CG-CD2 3.81Å
80	C	98.8	Very high	97.8	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.007	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	97	176.7	-64.7	0	0	0	0	108.5	I93 V112 L113 V114	C80-I93 HydrophobicContact CB-CD1 4.17Å; C80-I93 HydrophobicContact CB-CG2 4.26Å; C80-V112 PolarHBondContact N-O 3.27Å; C80-L113 HydrophobicContact CB-CD1 4.46Å; C80-V114 PolarHBondContact O-N 3.11Å
81	V	98.9	Very high	98	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	127.3	-168.8	-169.2	0	0	0	0	111.3	V8 V9 G10 V14 K16 L19 L79 V114 N116	V8-V81 HydrophobicContact CG1-CG2 3.58Å; V9-V81 PolarHBondContact O-N 3.45Å; G10-V81 WeakPolarHBondContact CA-O 3.49Å; V14-V81 HydrophobicContact CB-CG1 4.31Å; V14-V81 HydrophobicContact CG2-CB 4.01Å; V14-V81 HydrophobicContact CG2-CG1 3.79Å; K16-V81 HydrophobicContact CG-CB 4.22Å; K16-V81 HydrophobicContact CG-CG2 4.38Å; L19-V81 HydrophobicContact CD1-CG1 3.9Å; L19-V81 HydrophobicContact CD1-CG2 4.22Å; L79-V81 HydrophobicContact CB-CG2 4.16Å; V81-V114 WeakPolarHBondContact CA-O 3.33Å; V81-V114 HydrophobicContact CB-CB 4.5Å; V81-V114 HydrophobicContact CG1-CB 4.46Å; V81-V114 HydrophobicContact CG1-CG1 4.32Å; V81-V114 HydrophobicContact CG2-CB 4.16Å; V81-N116 HydrophobicContact CG1-CB 3.97Å
82	F	98.9	Very high	98.2	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	165.6	163.5	73.3	-83.8	0	0	0	109.5	I84 S89 F90 I93 L113 V114 G115 N116 V125 A130 Y141	F82-I84 HydrophobicContact CE2-CG2 4.13Å; F82-S89 WeakPolarHBondContact CB-O 3.47Å; F82-F90 HydrophobicContact CB-CB 4.23Å; F82-F90 AromaticContact CD1-CD2 3.84Å; F82-F90 HydrophobicContact CD1-CD2 3.84Å; F82-F90 HydrophobicContact CD2-CB 3.73Å; F82-F90 AromaticContact CD2-CD2 3.91Å; F82-F90 HydrophobicContact CD2-CD2 3.91Å; F82-F90 HydrophobicContact CD2-CG 4.25Å; F82-F90 AromaticContact CE1-CD2 3.74Å; F82-F90 HydrophobicContact CE1-CD2 3.74Å; F82-F90 HydrophobicContact CE1-CE2 4.17Å; F82-F90 HydrophobicContact CE2-CB 4.27Å; F82-F90 AromaticContact CE2-CD2 3.83Å; F82-F90 HydrophobicContact CE2-CD2 3.83Å; F82-F90 HydrophobicContact CE2-CG 4.37Å; F82-F90 HydrophobicContact CG-CB 3.99Å; F82-F90 AromaticContact CG-CD2 3.92Å; F82-F90 HydrophobicContact CG-CD2 3.92Å; F82-F90 HydrophobicContact CG-CG 4.47Å; F82-F90 AromaticContact CZ-CD2 3.75Å; F82-F90 HydrophobicContact CZ-CD2 3.75Å; F82-F90 HydrophobicContact CZ-CE2 4.19Å; F82-I93 HydrophobicContact CB-CD1 4.14Å; F82-I93 HydrophobicContact CB-CG1 4.14Å; F82-I93 HydrophobicContact CD1-CG1 4.37Å; F82-L113 HydrophobicContact CD1-CD1 3.83Å; F82-L113 HydrophobicContact CD1-CG 4.35Å; F82-L113 HydrophobicContact CE1-CD1 3.93Å; F82-L113 HydrophobicContact CE1-CD2 4.25Å; F82-L113 HydrophobicContact CE1-CG 3.94Å; F82-V114 WeakPolarHBondContact CD1-O 3.46Å; F82-V114 PolarHBondContact N-O 2.75Å; F82-G115 VanDerWaalsContact CE1-CA 3.45Å; F82-G115 VanDerWaalsContact CZ-CA 3.44Å; F82-N116 PolarHBondContact O-N 3.16Å; F82-V125 HydrophobicContact CD2-CG2 4.49Å; F82-V125 HydrophobicContact CE2-CB 3.94Å; F82-V125 HydrophobicContact CE2-CG1 3.71Å; F82-V125 HydrophobicContact CE2-CG2 4.29Å; F82-V125 HydrophobicContact CZ-CG1 4.16Å; F82-A130 HydrophobicContact CE1-CB 4.19Å; F82-A130 HydrophobicContact CZ-CB 3.69Å; F82-Y141 AromaticContact CE1-CE2 3.83Å; F82-Y141 HydrophobicContact CE1-CE2 3.83Å; F82-Y141 AromaticContact CZ-CE2 3.9Å; F82-Y141 HydrophobicContact CZ-CE2 3.9Å
83	A	98.8	Very high	98.3	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.008	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	133.6	170.7	0	0	0	0	0	110	V14 N85 N86 S89 N116 K117	V14-A83 HydrophobicContact CB-CB 4.26Å; V14-A83 HydrophobicContact CG1-CB 4.41Å; A83-N85 WeakPolarHBondContact CB-OD1 3.3Å; A83-N85 PolarHBondContact O-N 3.11Å; A83-N86 HydrophobicContact CB-CB 4.28Å; A83-N86 PolarHBondContact O-N 3.33Å; A83-S89 PolarHBondContact N-OG 3.48Å; A83-S89 VanDerWaalsContact N-OG 3.1Å; A83-N116 WeakPolarHBondContact CA-O 3.36Å; A83-K117 HydrophobicContact CB-CD 3.93Å; A83-K117 HydrophobicContact CB-CG 4.17Å
84	I	98.8	Very high	98.4	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-16.9	-176.3	61.7	140.5	0	0	0	113.7	F82 N116 K117 R123 T124 V125	F82-I84 HydrophobicContact CE2-CG2 4.13Å; I84-N116 WeakPolarHBondContact CG1-O 3.34Å; I84-N116 PolarHBondContact N-O 3.47Å; I84-K117 WeakPolarHBondContact CD1-O 3.45Å; I84-K117 VanDerWaalsContact CG1-O 3.27Å; I84-K117 WeakPolarHBondContact CG1-O 3.35Å; I84-R123 HydrophobicContact CD1-CB 4.07Å; I84-R123 HydrophobicContact CD1-CG 4.19Å; I84-T124 PolarHBondContact O-N 3.04Å; I84-V125 PolarHBondContact O-N 3.42Å
85	N	98.5	Very high	98.4	Very high	54 Å²	54	32.6 Å²	32.6	29%	0.289	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.9	11.1	176.4	73.3	-35	0	0	0	113.6	A83 L120 A122 T124	A83-N85 WeakPolarHBondContact CB-OD1 3.3Å; A83-N85 PolarHBondContact O-N 3.11Å; N85-L120 HydrophobicContact CB-CD1 4.45Å; N85-L120 WeakPolarHBondContact ND2-CD1 3.36Å; N85-A122 VanDerWaalsContact CA-O 3.29Å; N85-A122 WeakPolarHBondContact CA-O 3.29Å; N85-A122 WeakPolarHBondContact CB-O 3.5Å; N85-T124 VanDerWaalsContact C-OG1 3.29Å
86	N	98.4	Very high	98.4	Very high	61 Å²	61	32.7 Å²	32.7	33%	0.326	16%	0.158	S	C	.	.			trans	-138.1	95.3	-179.2	-178.1	-18	0	0	0	110.6	A83 K88 S89 F90 T124	A83-N86 HydrophobicContact CB-CB 4.28Å; A83-N86 PolarHBondContact O-N 3.33Å; N86-K88 VanDerWaalsContact C-N 3.32Å; N86-K88 PolarHBondContact O-N 3.3Å; N86-K88 PolarHBondContact OD1-N 3.28Å; N86-S89 WeakPolarHBondContact CB-OG 3.47Å; N86-S89 PolarHBondContact O-N 3.22Å; N86-S89 PolarHBondContact O-OG 2.98Å; N86-S89 PolarHBondContact OD1-N 2.91Å; N86-F90 PolarHBondContact O-N 3.1Å; N86-T124 PolarHBondContact N-OG1 3.06Å
87	T	98.5	Very high	98.4	Very high	49 Å²	49	31.6 Å²	31.6	30%	0.301	15%	0.152	S	C	.	.	H	α-helix	trans	-59.7	-38.9	-179.7	-54.1	0	0	0	0	112.9	S89 F90 E91 T124	T87-S89 VanDerWaalsContact C-N 3.31Å; T87-S89 PolarHBondContact O-N 3.34Å; T87-F90 WeakPolarHBondContact O-CB 3.5Å; T87-F90 PolarHBondContact O-N 3.49Å; T87-F90 VanDerWaalsContact O-N 3.08Å; T87-E91 WeakPolarHBondContact O-CG 3.22Å; T87-E91 PolarHBondContact O-N 3.4Å; T87-T124 PolarHBondContact N-OG1 3.33Å; T87-T124 VanDerWaalsContact OG1-CB 3.29Å; T87-T124 WeakPolarHBondContact OG1-CB 3.41Å; T87-T124 PolarHBondContact OG1-O 2.84Å; T87-T124 PolarHBondContact OG1-OG1 3.34Å
88	K	98.4	Very high	98.3	Very high	111 Å²	111	34.9 Å²	34.9	48%	0.483	17%	0.167	S	C	.	.	H	α-helix	trans	-61.2	-40.9	177.5	-179.2	58.4	167.7	71.5	0	111.8	N86 F90 E91 D92	N86-K88 VanDerWaalsContact C-N 3.32Å; N86-K88 PolarHBondContact O-N 3.3Å; N86-K88 PolarHBondContact OD1-N 3.28Å; K88-F90 PolarHBondContact O-N 3.26Å; K88-E91 PolarHBondContact O-N 2.77Å; K88-D92 IonicContact NZ-OD1 3.77Å; K88-D92 PolarHBondContact NZ-OD1 3.24Å; K88-D92 IonicContact NZ-OD2 3.84Å; K88-D92 PolarHBondContact NZ-OD2 3.34Å; K88-D92 VanDerWaalsContact O-CG 3.23Å; K88-D92 PolarHBondContact O-N 2.98Å
89	S	98.5	Very high	98.2	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.007	17%	0.174	C	C	.	.	H	α-helix	trans	-64	-28.3	177.4	74.7	0	0	0	0	113.3	F82 A83 N86 T87	F82-S89 WeakPolarHBondContact CB-O 3.47Å; A83-S89 PolarHBondContact N-OG 3.48Å; A83-S89 VanDerWaalsContact N-OG 3.1Å; N86-S89 WeakPolarHBondContact CB-OG 3.47Å; N86-S89 PolarHBondContact O-N 3.22Å; N86-S89 PolarHBondContact O-OG 2.98Å; N86-S89 PolarHBondContact OD1-N 2.91Å; T87-S89 VanDerWaalsContact C-N 3.31Å; T87-S89 PolarHBondContact O-N 3.34Å
90	F	98.8	Very high	98.2	Very high	13 Å²	13	36.2 Å²	36.2	6%	0.057	17%	0.174	C	C	.	.	H	α-helix	trans	-75.1	-41.7	174.1	174.9	-108.7	0	0	0	111.8	F82 N86 T87 K88 D92 I93 L113 V125 Q129 A130 L133	F82-F90 HydrophobicContact CB-CB 4.23Å; F82-F90 AromaticContact CD1-CD2 3.84Å; F82-F90 HydrophobicContact CD1-CD2 3.84Å; F82-F90 HydrophobicContact CD2-CB 3.73Å; F82-F90 AromaticContact CD2-CD2 3.91Å; F82-F90 HydrophobicContact CD2-CD2 3.91Å; F82-F90 HydrophobicContact CD2-CG 4.25Å; F82-F90 AromaticContact CE1-CD2 3.74Å; F82-F90 HydrophobicContact CE1-CD2 3.74Å; F82-F90 HydrophobicContact CE1-CE2 4.17Å; F82-F90 HydrophobicContact CE2-CB 4.27Å; F82-F90 AromaticContact CE2-CD2 3.83Å; F82-F90 HydrophobicContact CE2-CD2 3.83Å; F82-F90 HydrophobicContact CE2-CG 4.37Å; F82-F90 HydrophobicContact CG-CB 3.99Å; F82-F90 AromaticContact CG-CD2 3.92Å; F82-F90 HydrophobicContact CG-CD2 3.92Å; F82-F90 HydrophobicContact CG-CG 4.47Å; F82-F90 AromaticContact CZ-CD2 3.75Å; F82-F90 HydrophobicContact CZ-CD2 3.75Å; F82-F90 HydrophobicContact CZ-CE2 4.19Å; N86-F90 PolarHBondContact O-N 3.1Å; T87-F90 WeakPolarHBondContact O-CB 3.5Å; T87-F90 PolarHBondContact O-N 3.49Å; T87-F90 VanDerWaalsContact O-N 3.08Å; K88-F90 PolarHBondContact O-N 3.26Å; F90-D92 VanDerWaalsContact C-N 3.27Å; F90-D92 PolarHBondContact O-N 2.65Å; F90-I93 VanDerWaalsContact O-CB 3.31Å; F90-I93 WeakPolarHBondContact O-CB 3.34Å; F90-I93 WeakPolarHBondContact O-CG1 3.2Å; F90-I93 PolarHBondContact O-N 2.88Å; F90-L113 HydrophobicContact CE2-CD2 4.33Å; F90-V125 HydrophobicContact CB-CG1 4.31Å; F90-V125 HydrophobicContact CB-CG2 3.77Å; F90-V125 HydrophobicContact CD1-CG1 3.94Å; F90-V125 HydrophobicContact CD1-CG2 4.34Å; F90-V125 HydrophobicContact CD2-CG1 3.9Å; F90-V125 HydrophobicContact CE1-CG1 4.19Å; F90-V125 HydrophobicContact CE2-CG1 4.14Å; F90-V125 HydrophobicContact CG-CG1 3.78Å; F90-V125 HydrophobicContact CG-CG2 4.1Å; F90-V125 HydrophobicContact CZ-CG1 4.27Å; F90-Q129 HydrophobicContact CE1-CG 3.9Å; F90-Q129 HydrophobicContact CZ-CG 4.11Å; F90-A130 HydrophobicContact CE2-CB 3.76Å; F90-A130 HydrophobicContact CZ-CB 4.29Å; F90-L133 HydrophobicContact CD2-CD2 4.3Å; F90-L133 HydrophobicContact CE1-CD2 4.24Å; F90-L133 HydrophobicContact CE2-CB 4.31Å; F90-L133 HydrophobicContact CE2-CD2 3.47Å; F90-L133 VanDerWaalsContact CE2-CD2 3.47Å; F90-L133 HydrophobicContact CZ-CB 3.88Å; F90-L133 HydrophobicContact CZ-CD2 3.44Å; F90-L133 VanDerWaalsContact CZ-CD2 3.44Å; F90-L133 HydrophobicContact CZ-CG 4.25Å
91	E	98.4	Very high	98.2	Very high	115 Å²	115	37.4 Å²	37.4	54%	0.537	18%	0.179	S	C	.	.	H	α-helix	trans	-60.9	-38.1	174.2	-67	167.2	177.7	0	0	111.8	T87 K88 I93 H94	T87-E91 WeakPolarHBondContact O-CG 3.22Å; T87-E91 PolarHBondContact O-N 3.4Å; K88-E91 PolarHBondContact O-N 2.77Å; E91-I93 PolarHBondContact O-N 3.19Å; E91-H94 PolarHBondContact O-N 3.14Å
92	D	97.7	Very high	98.1	Very high	15 Å²	15	45.2 Å²	45.2	8%	0.08	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-20.3	-179.2	-72	-23	0	0	0	114	K88 F90 H94 Q95 Y96	K88-D92 IonicContact NZ-OD1 3.77Å; K88-D92 PolarHBondContact NZ-OD1 3.24Å; K88-D92 IonicContact NZ-OD2 3.84Å; K88-D92 PolarHBondContact NZ-OD2 3.34Å; K88-D92 VanDerWaalsContact O-CG 3.23Å; K88-D92 PolarHBondContact O-N 2.98Å; F90-D92 VanDerWaalsContact C-N 3.27Å; F90-D92 PolarHBondContact O-N 2.65Å; D92-H94 PolarHBondContact O-N 2.76Å; D92-H94 VanDerWaalsContact O-N 3.16Å; D92-Q95 WeakPolarHBondContact O-CB 3.26Å; D92-Q95 PolarHBondContact O-N 2.67Å; D92-Y96 HydrophobicContact CB-CE2 4.39Å; D92-Y96 VanDerWaalsContact O-CD2 3.32Å; D92-Y96 WeakPolarHBondContact O-CD2 3.2Å; D92-Y96 PolarHBondContact O-N 3.16Å
93	I	98.5	Very high	98	Very high	1 Å²	1	46 Å²	46	1%	0.005	21%	0.213	C	C	.	.	H	α-helix	trans	-54.5	-36.3	175.7	-63.9	-55.7	0	0	0	111.5	C80 F82 F90 E91 Q95 Y96 R97 L113 Y137	C80-I93 HydrophobicContact CB-CD1 4.17Å; C80-I93 HydrophobicContact CB-CG2 4.26Å; F82-I93 HydrophobicContact CB-CD1 4.14Å; F82-I93 HydrophobicContact CB-CG1 4.14Å; F82-I93 HydrophobicContact CD1-CG1 4.37Å; F90-I93 VanDerWaalsContact O-CB 3.31Å; F90-I93 WeakPolarHBondContact O-CB 3.34Å; F90-I93 WeakPolarHBondContact O-CG1 3.2Å; F90-I93 PolarHBondContact O-N 2.88Å; E91-I93 PolarHBondContact O-N 3.19Å; I93-Q95 VanDerWaalsContact C-N 3.3Å; I93-Q95 PolarHBondContact O-N 3.39Å; I93-Y96 PolarHBondContact O-N 3.32Å; I93-R97 WeakPolarHBondContact O-CB 3.39Å; I93-R97 PolarHBondContact O-N 2.62Å; I93-L113 HydrophobicContact CB-CD1 4.44Å; I93-L113 HydrophobicContact CD1-CD1 4.36Å; I93-L113 HydrophobicContact CG1-CD1 4Å; I93-L113 HydrophobicContact CG2-CD1 3.72Å; I93-Y137 HydrophobicContact CG2-CE2 4.3Å
94	H	98.1	Very high	98	Very high	93 Å²	93	48.9 Å²	48.9	43%	0.431	23%	0.225	S	C	.	.	H	α-helix	trans	-59.6	-43.4	178.1	-177.6	51.6	0	0	0	111.5	E91 D92 R97 E98 Y137	E91-H94 PolarHBondContact O-N 3.14Å; D92-H94 PolarHBondContact O-N 2.76Å; D92-H94 VanDerWaalsContact O-N 3.16Å; H94-R97 PolarHBondContact O-N 2.93Å; H94-E98 IonicContact CE1-OE1 3.73Å; H94-E98 IonicContact ND1-OE1 2.75Å; H94-E98 WeakPolarHBondContact O-CG 3.47Å; H94-E98 PolarHBondContact O-N 3.01Å; H94-Y137 PolarHBondContact ND1-OH 2.84Å; H94-Y137 VanDerWaalsContact ND1-OH 3.14Å
95	Q	96.2	Very high	97.9	Very high	111 Å²	111	56.1 Å²	56.1	52%	0.519	26%	0.264	S	S	.	.	H	α-helix	trans	-66.2	-44.3	179.7	-60.3	-177.7	5.9	0	0	111.7	D92 I93 R97 E98 Q99	D92-Q95 WeakPolarHBondContact O-CB 3.26Å; D92-Q95 PolarHBondContact O-N 2.67Å; I93-Q95 VanDerWaalsContact C-N 3.3Å; I93-Q95 PolarHBondContact O-N 3.39Å; Q95-R97 VanDerWaalsContact C-N 3.34Å; Q95-R97 PolarHBondContact O-N 3.41Å; Q95-E98 PolarHBondContact O-N 2.77Å; Q95-Q99 WeakPolarHBondContact O-CB 3.26Å; Q95-Q99 PolarHBondContact O-N 3.17Å
96	Y	97.3	Very high	97.7	Very high	3 Å²	3	55.4 Å²	55.4	1%	0.012	26%	0.263	C	S	.	.	H	α-helix	trans	-59.7	-44.4	175	-77.7	-78.7	0	0	0	111.5	V9 G10 R68 M72 D92 I93 Q99 I100	V9-Y96 HydrophobicContact CB-CD1 3.83Å; V9-Y96 HydrophobicContact CB-CE1 4.18Å; V9-Y96 HydrophobicContact CG2-CD1 4.12Å; V9-Y96 HydrophobicContact CG2-CG 4.38Å; G10-Y96 PolarHBondContact O-OH 2.95Å; R68-Y96 PolarHBondContact NH2-OH 2.88Å; R68-Y96 VanDerWaalsContact NH2-OH 3.1Å; M72-Y96 HydrophobicContact CE-CD1 4.15Å; D92-Y96 HydrophobicContact CB-CE2 4.39Å; D92-Y96 VanDerWaalsContact O-CD2 3.32Å; D92-Y96 WeakPolarHBondContact O-CD2 3.2Å; D92-Y96 PolarHBondContact O-N 3.16Å; I93-Y96 PolarHBondContact O-N 3.32Å; Y96-Q99 PolarHBondContact O-N 3.11Å; Y96-I100 WeakPolarHBondContact O-CD1 3.25Å; Y96-I100 VanDerWaalsContact O-CG1 3.25Å; Y96-I100 WeakPolarHBondContact O-CG1 3.42Å; Y96-I100 PolarHBondContact O-N 3.5Å
97	R	98	Very high	97.5	Very high	34 Å²	34	58.5 Å²	58.5	13%	0.128	28%	0.28	C	S	.	.	H	α-helix	trans	-60.3	-50.8	177.7	177.7	-179.1	179	-89.3	7	111.9	I93 H94 Q95 Q99 I100 K101 M111 Y137	I93-R97 WeakPolarHBondContact O-CB 3.39Å; I93-R97 PolarHBondContact O-N 2.62Å; H94-R97 PolarHBondContact O-N 2.93Å; Q95-R97 VanDerWaalsContact C-N 3.34Å; Q95-R97 PolarHBondContact O-N 3.41Å; R97-Q99 VanDerWaalsContact C-N 3.27Å; R97-Q99 PolarHBondContact O-N 2.92Å; R97-I100 PolarHBondContact O-N 2.96Å; R97-K101 HydrophobicContact CG-CD 4.07Å; R97-K101 WeakPolarHBondContact O-CG 2.86Å; R97-K101 PolarHBondContact O-N 2.92Å; R97-M111 HydrophobicContact CG-CE 4.05Å; R97-M111 HydrophobicContact CG-SD 4.12Å; R97-Y137 VanDerWaalsContact CD-CD2 3.45Å
98	E	97.7	Very high	97.3	Very high	69 Å²	69	59.5 Å²	59.5	32%	0.322	28%	0.283	S	S	.	.	H	α-helix	trans	-63.5	-36.9	-179.5	-66.7	-44.8	118.6	0	0	111.7	H94 Q95 K101 R102	H94-E98 IonicContact CE1-OE1 3.73Å; H94-E98 IonicContact ND1-OE1 2.75Å; H94-E98 WeakPolarHBondContact O-CG 3.47Å; H94-E98 PolarHBondContact O-N 3.01Å; Q95-E98 PolarHBondContact O-N 2.77Å; E98-K101 PolarHBondContact O-N 3.21Å; E98-K101 IonicContact OE2-NZ 2.56Å; E98-R102 VanDerWaalsContact O-CB 3.31Å; E98-R102 WeakPolarHBondContact O-CB 3.07Å; E98-R102 PolarHBondContact O-N 3.48Å
99	Q	97	Very high	97.3	Very high	29 Å²	29	54.7 Å²	54.7	14%	0.136	26%	0.263	C	S	.	.	H	α-helix	trans	-64.3	-45.4	174.8	-166.9	174	5.7	0	0	111.8	D69 M72 Q95 Y96 R97 K101 R102 V103	D69-Q99 PolarHBondContact OD1-NE2 3.43Å; M72-Q99 HydrophobicContact CE-CB 4.14Å; M72-Q99 HydrophobicContact CE-CG 4.08Å; M72-Q99 HydrophobicContact SD-CB 3.99Å; M72-Q99 HydrophobicContact SD-CG 3.59Å; M72-Q99 VanDerWaalsContact SD-CG 3.59Å; Q95-Q99 WeakPolarHBondContact O-CB 3.26Å; Q95-Q99 PolarHBondContact O-N 3.17Å; Y96-Q99 PolarHBondContact O-N 3.11Å; R97-Q99 VanDerWaalsContact C-N 3.27Å; R97-Q99 PolarHBondContact O-N 2.92Å; Q99-K101 PolarHBondContact O-N 2.88Å; Q99-R102 PolarHBondContact O-N 2.9Å; Q99-V103 HydrophobicContact CG-CG2 4.39Å; Q99-V103 WeakPolarHBondContact O-CB 3.4Å; Q99-V103 VanDerWaalsContact O-CG2 3.28Å; Q99-V103 WeakPolarHBondContact O-CG2 3.45Å; Q99-V103 PolarHBondContact O-N 2.97Å
100	I	98.2	Very high	97.3	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-56.9	-51.7	176.1	-72.5	162	0	0	0	110.3	V9 M72 F78 Y96 R97 R102 V103 K104 V109 M111	V9-I100 HydrophobicContact CG2-CD1 4.12Å; M72-I100 HydrophobicContact CE-CG1 3.79Å; M72-I100 HydrophobicContact CG-CG1 3.91Å; M72-I100 HydrophobicContact SD-CB 4.44Å; M72-I100 HydrophobicContact SD-CG1 3.72Å; F78-I100 HydrophobicContact CB-CD1 3.79Å; F78-I100 HydrophobicContact CD1-CD1 3.76Å; F78-I100 HydrophobicContact CD1-CG1 4.01Å; F78-I100 HydrophobicContact CD2-CD1 4.17Å; F78-I100 HydrophobicContact CD2-CG1 4.43Å; F78-I100 HydrophobicContact CD2-CG2 3.67Å; F78-I100 HydrophobicContact CE1-CD1 4.47Å; F78-I100 HydrophobicContact CE1-CG1 4.24Å; F78-I100 HydrophobicContact CE2-CG2 3.62Å; F78-I100 HydrophobicContact CG-CD1 3.61Å; F78-I100 HydrophobicContact CG-CG1 4.14Å; F78-I100 HydrophobicContact CG-CG2 4.22Å; F78-I100 HydrophobicContact CZ-CG2 4.13Å; Y96-I100 WeakPolarHBondContact O-CD1 3.25Å; Y96-I100 VanDerWaalsContact O-CG1 3.25Å; Y96-I100 WeakPolarHBondContact O-CG1 3.42Å; Y96-I100 PolarHBondContact O-N 3.5Å; R97-I100 PolarHBondContact O-N 2.96Å; I100-R102 VanDerWaalsContact C-N 3.33Å; I100-R102 PolarHBondContact O-N 2.85Å; I100-V103 PolarHBondContact O-N 3.45Å; I100-K104 HydrophobicContact CG2-CG 4.28Å; I100-K104 VanDerWaalsContact O-CB 3.28Å; I100-K104 WeakPolarHBondContact O-CB 3.26Å; I100-K104 WeakPolarHBondContact O-CG 3.47Å; I100-K104 PolarHBondContact O-N 3.18Å; I100-V109 HydrophobicContact CG2-CB 4.2Å; I100-V109 HydrophobicContact CG2-CG1 3.66Å; I100-V109 HydrophobicContact CG2-CG2 4.4Å; I100-M111 HydrophobicContact CD1-SD 4.24Å; I100-M111 HydrophobicContact CG2-SD 4.34Å
101	K	98.2	Very high	97.3	Very high	26 Å²	26	54.5 Å²	54.5	11%	0.113	26%	0.263	C	S	.	.	H	α-helix	trans	-58.5	-44.8	-179.6	-70.5	175.3	71.1	-141.3	0	112	R97 E98 Q99 K104 D105 S106 D107	R97-K101 HydrophobicContact CG-CD 4.07Å; R97-K101 WeakPolarHBondContact O-CG 2.86Å; R97-K101 PolarHBondContact O-N 2.92Å; E98-K101 PolarHBondContact O-N 3.21Å; E98-K101 IonicContact OE2-NZ 2.56Å; Q99-K101 PolarHBondContact O-N 2.88Å; K101-K104 PolarHBondContact O-N 3.42Å; K101-D105 WeakPolarHBondContact O-CA 3.09Å; K101-D105 PolarHBondContact O-N 3.4Å; K101-S106 WeakPolarHBondContact CA-O 3.36Å; K101-S106 WeakPolarHBondContact CB-O 3.4Å; K101-S106 PolarHBondContact O-N 3.34Å; K101-S106 VanDerWaalsContact O-N 3.12Å; K101-D107 WeakPolarHBondContact CE-OD1 3.3Å; K101-D107 IonicContact NZ-OD1 2.79Å; K101-D107 PolarHBondContact NZ-OD1 2.7Å
102	R	97.7	Very high	97.4	Very high	163 Å²	163	49 Å²	49	62%	0.615	24%	0.237	S	C	*	.	H	α-helix	trans	-62.4	-46.2	177.2	-175.9	-173.7	70.4	-162.2	2.9	112.1	D69 E98 Q99 I100 K104 D105	D69-R102 IonicContact OD1-NH2 3.99Å; E98-R102 VanDerWaalsContact O-CB 3.31Å; E98-R102 WeakPolarHBondContact O-CB 3.07Å; E98-R102 PolarHBondContact O-N 3.48Å; Q99-R102 PolarHBondContact O-N 2.9Å; I100-R102 VanDerWaalsContact C-N 3.33Å; I100-R102 PolarHBondContact O-N 2.85Å; R102-K104 VanDerWaalsContact C-N 3.33Å; R102-D105 PolarHBondContact O-N 2.91Å
103	V	97.5	Very high	97.4	Very high	18 Å²	18	48.3 Å²	48.3	11%	0.109	23%	0.233	C	C	.	.	H	α-helix	trans	-69.5	-33.7	-179.3	173.3	0	0	0	0	111.6	D69 M72 R73 Q99 I100 D105	D69-V103 HydrophobicContact CB-CG2 4.04Å; D69-V103 WeakPolarHBondContact O-CG1 3.31Å; D69-V103 WeakPolarHBondContact OD1-CG2 3.46Å; M72-V103 HydrophobicContact CB-CB 4Å; M72-V103 HydrophobicContact CB-CG1 3.74Å; M72-V103 HydrophobicContact CB-CG2 4.34Å; M72-V103 HydrophobicContact SD-CG2 4.42Å; R73-V103 HydrophobicContact CB-CG1 4.02Å; Q99-V103 HydrophobicContact CG-CG2 4.39Å; Q99-V103 WeakPolarHBondContact O-CB 3.4Å; Q99-V103 VanDerWaalsContact O-CG2 3.28Å; Q99-V103 WeakPolarHBondContact O-CG2 3.45Å; Q99-V103 PolarHBondContact O-N 2.97Å; I100-V103 PolarHBondContact O-N 3.45Å; V103-D105 VanDerWaalsContact C-N 3.32Å
104	K	97	Very high	97.4	Very high	61 Å²	61	48.2 Å²	48.2	27%	0.265	23%	0.233	S	C	.	.	H	α-helix	trans	-79.6	-13.4	175.1	-72.5	-55	-162.1	-173.2	0	114.4	M72 R73 G75 I100 K101 R102 S106 V109	M72-K104 WeakPolarHBondContact O-CE 3.34Å; M72-K104 PolarHBondContact O-NZ 2.93Å; M72-K104 VanDerWaalsContact O-NZ 3.11Å; R73-K104 PolarHBondContact O-NZ 3.34Å; G75-K104 WeakPolarHBondContact O-CE 3.33Å; G75-K104 PolarHBondContact O-NZ 3.25Å; I100-K104 HydrophobicContact CG2-CG 4.28Å; I100-K104 VanDerWaalsContact O-CB 3.28Å; I100-K104 WeakPolarHBondContact O-CB 3.26Å; I100-K104 WeakPolarHBondContact O-CG 3.47Å; I100-K104 PolarHBondContact O-N 3.18Å; K101-K104 PolarHBondContact O-N 3.42Å; R102-K104 VanDerWaalsContact C-N 3.33Å; K104-S106 PolarHBondContact O-N 3.38Å; K104-V109 HydrophobicContact CB-CG2 3.74Å; K104-V109 HydrophobicContact CG-CG1 4.04Å; K104-V109 HydrophobicContact CG-CG2 3.95Å
105	D	96.6	Very high	97.5	Very high	152 Å²	152	43.8 Å²	43.8	81%	0.813	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.5	46.5	-172.2	-164.1	32.2	0	0	0	111.6	K101 R102 V103	K101-D105 WeakPolarHBondContact O-CA 3.09Å; K101-D105 PolarHBondContact O-N 3.4Å; R102-D105 PolarHBondContact O-N 2.91Å; V103-D105 VanDerWaalsContact C-N 3.32Å
106	S	95.9	Very high	97.6	Very high	38 Å²	38	38.7 Å²	38.7	27%	0.266	19%	0.189	S	C	.	.			trans	-156.2	141	-176.4	-165.6	0	0	0	0	112.5	K101 K104 D108	K101-S106 WeakPolarHBondContact CA-O 3.36Å; K101-S106 WeakPolarHBondContact CB-O 3.4Å; K101-S106 PolarHBondContact O-N 3.34Å; K101-S106 VanDerWaalsContact O-N 3.12Å; K104-S106 PolarHBondContact O-N 3.38Å; S106-D108 PolarHBondContact OG-N 3.46Å; S106-D108 PolarHBondContact OG-O 2.99Å
107	D	93.6	Very high	97.6	Very high	127 Å²	127	41.3 Å²	41.3	68%	0.679	20%	0.2	S	C	*	.	S	Bend	trans	-80.9	-23.4	171.4	-73	-46.5	0	0	0	113.5	K101	K101-D107 WeakPolarHBondContact CE-OD1 3.3Å; K101-D107 IonicContact NZ-OD1 2.79Å; K101-D107 PolarHBondContact NZ-OD1 2.7Å
108	D	94.5	Very high	97.7	Very high	70 Å²	70	40.8 Å²	40.8	37%	0.374	20%	0.201	S	C	.	.			trans	-103.3	93.5	178.2	-175.8	23.5	0	0	0	109.4	S106 H166 R169	S106-D108 PolarHBondContact OG-N 3.46Å; S106-D108 PolarHBondContact OG-O 2.99Å; D108-H166 PolarHBondContact O-NE2 2.98Å; D108-H166 IonicContact OD2-CD2 3.74Å; D108-R169 IonicContact OD1-NH1 3.73Å; D108-R169 IonicContact OD2-NH1 3.81Å
109	V	98.3	Very high	97.7	Very high	9 Å²	9	40.2 Å²	40.2	6%	0.055	20%	0.201	C	C	.	.			trans	-124.1	129.5	177.1	-175	0	0	0	0	108.8	F78 I100 K104 M111	F78-V109 HydrophobicContact CD2-CG1 3.81Å; F78-V109 HydrophobicContact CE2-CG1 3.67Å; I100-V109 HydrophobicContact CG2-CB 4.2Å; I100-V109 HydrophobicContact CG2-CG1 3.66Å; I100-V109 HydrophobicContact CG2-CG2 4.4Å; K104-V109 HydrophobicContact CB-CG2 3.74Å; K104-V109 HydrophobicContact CG-CG1 4.04Å; K104-V109 HydrophobicContact CG-CG2 3.95Å; V109-M111 HydrophobicContact CB-CE 4.31Å; V109-M111 WeakPolarHBondContact O-CE 3.03Å; V109-M111 WeakPolarHBondContact O-CG 3.26Å; V109-M111 PolarHBondContact O-N 3.42Å; V109-M111 VanDerWaalsContact O-N 3.11Å
110	P	98.8	Very high	97.7	Very high	6 Å²	6	41.8 Å²	41.8	4%	0.039	21%	0.21	C	C	.	.			trans	-58.1	116.2	177.4	-26.7	36.1	0	0	0	111.8	G77 F78 L159 E162 I163 H166	G77-P110 CarbonylContact C-O 3.56Å; G77-P110 WeakPolarHBondContact CA-O 3.4Å; F78-P110 PolarHBondContact N-O 2.76Å; P110-L159 HydrophobicContact CB-CD1 4.46Å; P110-E162 HydrophobicContact CB-CB 4.09Å; P110-I163 HydrophobicContact CB-CG1 3.73Å; P110-I163 HydrophobicContact CG-CG1 4.11Å; P110-H166 HydrophobicContact CG-CB 3.55Å
111	M	98.9	Very high	97.5	Very high	4 Å²	4	47 Å²	47	2%	0.02	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	155.4	177.1	-59.4	176.1	-84.7	0	0	110.2	F78 R97 I100 V109 I139 P140	F78-M111 HydrophobicContact CB-CG 4.12Å; F78-M111 HydrophobicContact CD2-CG 4.35Å; F78-M111 CarbonylContact O-C 3.53Å; F78-M111 WeakPolarHBondContact O-CA 3.39Å; R97-M111 HydrophobicContact CG-CE 4.05Å; R97-M111 HydrophobicContact CG-SD 4.12Å; I100-M111 HydrophobicContact CD1-SD 4.24Å; I100-M111 HydrophobicContact CG2-SD 4.34Å; V109-M111 HydrophobicContact CB-CE 4.31Å; V109-M111 WeakPolarHBondContact O-CE 3.03Å; V109-M111 WeakPolarHBondContact O-CG 3.26Å; V109-M111 PolarHBondContact O-N 3.42Å; V109-M111 VanDerWaalsContact O-N 3.11Å; M111-I139 HydrophobicContact CB-CD1 4.03Å; M111-I139 HydrophobicContact CB-CG2 4.15Å; M111-I139 HydrophobicContact CE-CG2 4.47Å; M111-P140 WeakPolarHBondContact O-CD 3.31Å
112	V	98.9	Very high	97.3	Very high	0 Å²	0	49 Å²	49	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	129.3	166.5	174.8	0	0	0	0	107.9	F78 L79 C80 V114 P140 I142 T158 L159 E162	F78-V112 PolarHBondContact O-N 2.98Å; L79-V112 HydrophobicContact CD2-CB 3.78Å; L79-V112 HydrophobicContact CD2-CG1 4.29Å; L79-V112 HydrophobicContact CD2-CG2 4.44Å; C80-V112 PolarHBondContact N-O 3.27Å; V112-V114 HydrophobicContact CG1-CG2 4.04Å; V112-P140 HydrophobicContact CG1-CB 4.35Å; V112-P140 HydrophobicContact CG2-CB 4.32Å; V112-P140 HydrophobicContact CG2-CG 4.3Å; V112-I142 HydrophobicContact CG1-CD1 4.21Å; V112-I142 HydrophobicContact CG1-CG1 4.31Å; V112-T158 HydrophobicContact CG2-CG2 3.97Å; V112-L159 HydrophobicContact CG2-CB 3.92Å; V112-L159 HydrophobicContact CG2-CD1 4.1Å; V112-E162 HydrophobicContact CG2-CG 4.35Å
113	L	98.9	Very high	97.3	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	126.4	171.2	-177.1	62.1	0	0	0	109.1	C80 F82 F90 I93 A130 L133 A134 I139 P140 Y141 I142	C80-L113 HydrophobicContact CB-CD1 4.46Å; F82-L113 HydrophobicContact CD1-CD1 3.83Å; F82-L113 HydrophobicContact CD1-CG 4.35Å; F82-L113 HydrophobicContact CE1-CD1 3.93Å; F82-L113 HydrophobicContact CE1-CD2 4.25Å; F82-L113 HydrophobicContact CE1-CG 3.94Å; F90-L113 HydrophobicContact CE2-CD2 4.33Å; I93-L113 HydrophobicContact CB-CD1 4.44Å; I93-L113 HydrophobicContact CD1-CD1 4.36Å; I93-L113 HydrophobicContact CG1-CD1 4Å; I93-L113 HydrophobicContact CG2-CD1 3.72Å; L113-A130 HydrophobicContact CD2-CB 4.41Å; L113-A130 WeakPolarHBondContact CD2-O 3.24Å; L113-L133 HydrophobicContact CD2-CD2 4.34Å; L113-A134 HydrophobicContact CB-CB 4.17Å; L113-A134 HydrophobicContact CD2-CB 3.89Å; L113-I139 HydrophobicContact CB-CD1 4.04Å; L113-I139 HydrophobicContact CB-CG1 4.48Å; L113-P140 PolarHBondContact N-O 3.3Å; L113-Y141 HydrophobicContact CB-CD2 4.1Å; L113-Y141 HydrophobicContact CD2-CD2 3.9Å; L113-Y141 HydrophobicContact CD2-CE2 4.42Å; L113-Y141 HydrophobicContact CG-CD2 3.81Å; L113-Y141 HydrophobicContact CG-CE2 4.34Å; L113-Y141 WeakPolarHBondContact O-CA 3.1Å; L113-Y141 WeakPolarHBondContact O-CD2 3.46Å; L113-I142 PolarHBondContact O-N 3.09Å
114	V	99	Very high	97.4	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	115.4	-176.8	-179.3	0	0	0	0	110.6	L19 L79 C80 V81 F82 V112 I142 T144 A155	L19-V114 HydrophobicContact CD1-CG1 4.02Å; L79-V114 HydrophobicContact CB-CG2 4.34Å; L79-V114 HydrophobicContact CD2-CG2 3.9Å; C80-V114 PolarHBondContact O-N 3.11Å; V81-V114 WeakPolarHBondContact CA-O 3.33Å; V81-V114 HydrophobicContact CB-CB 4.5Å; V81-V114 HydrophobicContact CG1-CB 4.46Å; V81-V114 HydrophobicContact CG1-CG1 4.32Å; V81-V114 HydrophobicContact CG2-CB 4.16Å; F82-V114 WeakPolarHBondContact CD1-O 3.46Å; F82-V114 PolarHBondContact N-O 2.75Å; V112-V114 HydrophobicContact CG1-CG2 4.04Å; V114-I142 WeakPolarHBondContact CA-O 3.36Å; V114-T144 HydrophobicContact CG1-CG2 3.7Å; V114-T144 VanDerWaalsContact CG1-OG1 3.24Å; V114-T144 WeakPolarHBondContact CG1-OG1 3.33Å; V114-A155 HydrophobicContact CG2-CB 4.07Å
115	G	98.9	Very high	97.4	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	94.4	171.1	0	0	0	0	0	110.4	F82 I142 E143 T144	F82-G115 VanDerWaalsContact CE1-CA 3.45Å; F82-G115 VanDerWaalsContact CZ-CA 3.44Å; G115-I142 PolarHBondContact N-O 3.42Å; G115-E143 CarbonylContact O-C 3.6Å; G115-E143 WeakPolarHBondContact O-CA 3.41Å; G115-T144 PolarHBondContact O-N 3.5Å
116	N	98.8	Very high	97.5	Very high	3 Å²	3	42 Å²	42	2%	0.016	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	167	-178.2	-169.2	28.9	0	0	0	112.7	V14 L19 V81 F82 A83 I84 T144 A146	V14-N116 PolarHBondContact O-ND2 2.84Å; L19-N116 HydrophobicContact CD1-CB 4.2Å; V81-N116 HydrophobicContact CG1-CB 3.97Å; F82-N116 PolarHBondContact O-N 3.16Å; A83-N116 WeakPolarHBondContact CA-O 3.36Å; I84-N116 WeakPolarHBondContact CG1-O 3.34Å; I84-N116 PolarHBondContact N-O 3.47Å; N116-T144 CarbonylContact C-O 3.52Å; N116-T144 VanDerWaalsContact CA-O 3.28Å; N116-T144 WeakPolarHBondContact CA-O 3.28Å; N116-T144 WeakPolarHBondContact CA-OG1 3.32Å; N116-T144 PolarHBondContact OD1-O 3.49Å; N116-T144 PolarHBondContact OD1-OG1 3.35Å; N116-A146 PolarHBondContact OD1-N 2.99Å
117	K	98.2	Very high	97.6	Very high	58 Å²	58	42.3 Å²	42.3	25%	0.252	25%	0.247	S	C	.	.			trans	66.8	33	-179	-45.5	-170.1	-172.3	-178.5	0	113	G13 A83 I84 D119 L120 T144	G13-K117 VanDerWaalsContact O-CE 3.32Å; G13-K117 WeakPolarHBondContact O-CE 3.31Å; G13-K117 PolarHBondContact O-NZ 3.31Å; A83-K117 HydrophobicContact CB-CD 3.93Å; A83-K117 HydrophobicContact CB-CG 4.17Å; I84-K117 WeakPolarHBondContact CD1-O 3.45Å; I84-K117 VanDerWaalsContact CG1-O 3.27Å; I84-K117 WeakPolarHBondContact CG1-O 3.35Å; K117-D119 WeakPolarHBondContact CA-OD1 3.41Å; K117-D119 PolarHBondContact O-N 2.96Å; K117-D119 VanDerWaalsContact O-N 3.1Å; K117-L120 HydrophobicContact CB-CD1 3.75Å; K117-L120 HydrophobicContact CB-CG 4.02Å; K117-L120 HydrophobicContact CD-CD1 3.89Å; K117-L120 HydrophobicContact CG-CD1 4.43Å; K117-L120 WeakPolarHBondContact O-CB 3.34Å; K117-L120 PolarHBondContact O-N 3.27Å; K117-T144 PolarHBondContact N-O 3.1Å
118	C	98.4	Very high	97.8	Very high	23 Å²	23	45.6 Å²	45.6	16%	0.155	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-11.2	179.5	73.6	0	0	0	0	113.7	L120 E143 T144	C118-L120 VanDerWaalsContact C-N 3.28Å; C118-E143 HydrophobicContact CB-CB 4.14Å; C118-T144 PolarHBondContact N-O 2.74Å; C118-T144 PolarHBondContact SG-O 3.21Å
119	D	97.8	Very high	98	Very high	58 Å²	58	46.7 Å²	46.7	31%	0.31	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-18.6	170.2	60.2	-73.8	0	0	0	113.6	K117 S145 K147 T148	K117-D119 WeakPolarHBondContact CA-OD1 3.41Å; K117-D119 PolarHBondContact O-N 2.96Å; K117-D119 VanDerWaalsContact O-N 3.1Å; D119-S145 WeakPolarHBondContact CB-OG 3.47Å; D119-S145 VanDerWaalsContact OD1-CB 3.28Å; D119-S145 WeakPolarHBondContact OD1-CB 3.2Å; D119-S145 PolarHBondContact OD1-OG 3.29Å; D119-K147 WeakPolarHBondContact OD2-CD 3.36Å; D119-T148 HydrophobicContact CB-CG2 4.01Å
120	L	96.7	Very high	98	Very high	62 Å²	62	46.3 Å²	46.3	33%	0.325	25%	0.251	S	S	.	.			trans	-81	132	179.7	-60.1	-177.5	0	0	0	111.1	N85 K117 C118 A122	N85-L120 HydrophobicContact CB-CD1 4.45Å; N85-L120 WeakPolarHBondContact ND2-CD1 3.36Å; K117-L120 HydrophobicContact CB-CD1 3.75Å; K117-L120 HydrophobicContact CB-CG 4.02Å; K117-L120 HydrophobicContact CD-CD1 3.89Å; K117-L120 HydrophobicContact CG-CD1 4.43Å; K117-L120 WeakPolarHBondContact O-CB 3.34Å; K117-L120 PolarHBondContact O-N 3.27Å; C118-L120 VanDerWaalsContact C-N 3.28Å; L120-A122 VanDerWaalsContact C-N 3.27Å; L120-A122 PolarHBondContact O-N 3.43Å
121	A	94.6	Very high	98	Very high	108 Å²	108	48.9 Å²	48.9	89%	0.893	26%	0.262	S	S	*	.	S	Bend	trans	-69.2	-25.1	173.9	0	0	0	0	0	113.2	R123	A121-R123 PolarHBondContact O-N 3.39Å
122	A	94.5	Very high	98	Very high	68 Å²	68	52.1 Å²	52.1	56%	0.562	28%	0.28	S	S	*	.			trans	-76.9	56.9	-177.4	0	0	0	0	0	112.5	N85 L120	N85-A122 VanDerWaalsContact CA-O 3.29Å; N85-A122 WeakPolarHBondContact CA-O 3.29Å; N85-A122 WeakPolarHBondContact CB-O 3.5Å; L120-A122 VanDerWaalsContact C-N 3.27Å; L120-A122 PolarHBondContact O-N 3.43Å
123	R	98.1	Very high	98	Very high	64 Å²	64	54 Å²	54	24%	0.242	29%	0.289	C	S	.	.			trans	-72.4	133.4	178	-178.7	175.8	-71.5	-99.5	10.6	110.8	I84 A121 V125 S127 E143	I84-R123 HydrophobicContact CD1-CB 4.07Å; I84-R123 HydrophobicContact CD1-CG 4.19Å; A121-R123 PolarHBondContact O-N 3.39Å; R123-V125 VanDerWaalsContact CD-O 3.26Å; R123-V125 WeakPolarHBondContact CD-O 3.49Å; R123-V125 WeakPolarHBondContact CG-O 3.26Å; R123-V125 PolarHBondContact NH1-O 2.97Å; R123-S127 PolarHBondContact NH1-OG 3.44Å; R123-E143 IonicContact CZ-OE1 2.65Å; R123-E143 IonicContact CZ-OE2 3.48Å; R123-E143 IonicContact NH1-OE1 2.77Å; R123-E143 PolarHBondContact NH1-OE1 3.32Å; R123-E143 IonicContact NH1-OE2 2.85Å; R123-E143 IonicContact NH2-OE1 3.41Å; R123-E143 PolarHBondContact NH2-OE1 3.31Å; R123-E143 IonicContact NH2-OE2 3.25Å; R123-E143 PolarHBondContact NH2-OE2 3.16Å
124	T	98.3	Very high	98	Very high	70 Å²	70	54 Å²	54	43%	0.429	29%	0.289	S	S	.	.			trans	-120.6	-11.2	171.2	68.5	0	0	0	0	112.8	I84 N85 N86 T87	I84-T124 PolarHBondContact O-N 3.04Å; N85-T124 VanDerWaalsContact C-OG1 3.29Å; N86-T124 PolarHBondContact N-OG1 3.06Å; T87-T124 PolarHBondContact N-OG1 3.33Å; T87-T124 VanDerWaalsContact OG1-CB 3.29Å; T87-T124 WeakPolarHBondContact OG1-CB 3.41Å; T87-T124 PolarHBondContact OG1-O 2.84Å; T87-T124 PolarHBondContact OG1-OG1 3.34Å
125	V	98.4	Very high	98	Very high	0 Å²	0	62 Å²	62	0%	0	32%	0.32	C	S	.	.	S	Bend	trans	-118.3	113.4	174.4	-177.2	0	0	0	0	108.9	F82 I84 F90 R123 A130	F82-V125 HydrophobicContact CD2-CG2 4.49Å; F82-V125 HydrophobicContact CE2-CB 3.94Å; F82-V125 HydrophobicContact CE2-CG1 3.71Å; F82-V125 HydrophobicContact CE2-CG2 4.29Å; F82-V125 HydrophobicContact CZ-CG1 4.16Å; I84-V125 PolarHBondContact O-N 3.42Å; F90-V125 HydrophobicContact CB-CG1 4.31Å; F90-V125 HydrophobicContact CB-CG2 3.77Å; F90-V125 HydrophobicContact CD1-CG1 3.94Å; F90-V125 HydrophobicContact CD1-CG2 4.34Å; F90-V125 HydrophobicContact CD2-CG1 3.9Å; F90-V125 HydrophobicContact CE1-CG1 4.19Å; F90-V125 HydrophobicContact CE2-CG1 4.14Å; F90-V125 HydrophobicContact CG-CG1 3.78Å; F90-V125 HydrophobicContact CG-CG2 4.1Å; F90-V125 HydrophobicContact CZ-CG1 4.27Å; R123-V125 VanDerWaalsContact CD-O 3.26Å; R123-V125 WeakPolarHBondContact CD-O 3.49Å; R123-V125 WeakPolarHBondContact CG-O 3.26Å; R123-V125 PolarHBondContact NH1-O 2.97Å; V125-A130 HydrophobicContact CG1-CB 4.34Å
126	E	98.1	Very high	97.9	Very high	113 Å²	113	66 Å²	66	53%	0.528	35%	0.348	S	S	.	.			trans	-70.3	140.5	-179.4	-68.3	-54.6	132.8	0	0	111.5	R128 Q129 A130	E126-R128 PolarHBondContact O-N 3.41Å; E126-R128 VanDerWaalsContact O-N 3.13Å; E126-Q129 HydrophobicContact CB-CB 4.33Å; E126-Q129 WeakPolarHBondContact O-CB 3.44Å; E126-Q129 PolarHBondContact O-N 3.02Å; E126-A130 PolarHBondContact O-N 2.78Å; E126-A130 VanDerWaalsContact O-N 3.14Å
127	S	97.9	Very high	97.9	Very high	45 Å²	45	67.7 Å²	67.7	32%	0.315	35%	0.354	S	S	.	.	H	α-helix	trans	-55.3	-36.5	179.8	-53	0	0	0	0	112	R123 A130 Q131 E143	R123-S127 PolarHBondContact NH1-OG 3.44Å; S127-A130 PolarHBondContact O-N 3.24Å; S127-Q131 WeakPolarHBondContact O-CB 3.32Å; S127-Q131 PolarHBondContact O-N 3.41Å; S127-E143 VanDerWaalsContact CB-OE1 3.26Å; S127-E143 WeakPolarHBondContact CB-OE1 3.24Å; S127-E143 PolarHBondContact OG-OE1 3.34Å
128	R	98.3	Very high	97.9	Very high	197 Å²	197	68.1 Å²	68.1	74%	0.743	37%	0.374	S	S	*	.	H	α-helix	trans	-63.3	-43.6	176.1	-176.3	176.4	178.6	173.5	1.3	112.1	E126 Q131 D132	E126-R128 PolarHBondContact O-N 3.41Å; E126-R128 VanDerWaalsContact O-N 3.13Å; R128-Q131 PolarHBondContact O-N 3.17Å; R128-D132 IonicContact NE-OD2 4Å; R128-D132 WeakPolarHBondContact O-CB 3.47Å; R128-D132 VanDerWaalsContact O-CG 3.26Å; R128-D132 PolarHBondContact O-N 2.95Å
129	Q	98.1	Very high	97.9	Very high	93 Å²	93	68 Å²	68	44%	0.435	37%	0.372	S	S	.	.	H	α-helix	trans	-61.8	-45.8	179	-177.3	-174	11.9	0	0	111.1	F90 E126 D132 L133	F90-Q129 HydrophobicContact CE1-CG 3.9Å; F90-Q129 HydrophobicContact CZ-CG 4.11Å; E126-Q129 HydrophobicContact CB-CB 4.33Å; E126-Q129 WeakPolarHBondContact O-CB 3.44Å; E126-Q129 PolarHBondContact O-N 3.02Å; Q129-D132 PolarHBondContact O-N 3.42Å; Q129-L133 PolarHBondContact O-N 3.32Å
130	A	98.7	Very high	97.9	Very high	0 Å²	0	66.7 Å²	66.7	0%	0	37%	0.367	C	S	.	.	H	α-helix	trans	-67.6	-38.3	177.6	0	0	0	0	0	112.5	F82 F90 L113 V125 E126 S127 L133 A134 Y141	F82-A130 HydrophobicContact CE1-CB 4.19Å; F82-A130 HydrophobicContact CZ-CB 3.69Å; F90-A130 HydrophobicContact CE2-CB 3.76Å; F90-A130 HydrophobicContact CZ-CB 4.29Å; L113-A130 HydrophobicContact CD2-CB 4.41Å; L113-A130 WeakPolarHBondContact CD2-O 3.24Å; V125-A130 HydrophobicContact CG1-CB 4.34Å; E126-A130 PolarHBondContact O-N 2.78Å; E126-A130 VanDerWaalsContact O-N 3.14Å; S127-A130 PolarHBondContact O-N 3.24Å; A130-L133 PolarHBondContact O-N 2.98Å; A130-A134 WeakPolarHBondContact O-CB 3.31Å; A130-A134 PolarHBondContact O-N 3.08Å; A130-Y141 HydrophobicContact CB-CD1 4.43Å; A130-Y141 HydrophobicContact CB-CD2 4.16Å; A130-Y141 HydrophobicContact CB-CE1 3.87Å; A130-Y141 HydrophobicContact CB-CE2 3.57Å; A130-Y141 WeakPolarHBondContact CB-OH 3.24Å
131	Q	98.7	Very high	98	Very high	61 Å²	61	65.1 Å²	65.1	29%	0.285	36%	0.357	S	S	.	.	H	α-helix	trans	-63.1	-41.2	175	-176.5	62.1	73.9	0	0	112.4	S127 R128 A134 R135 Y141	S127-Q131 WeakPolarHBondContact O-CB 3.32Å; S127-Q131 PolarHBondContact O-N 3.41Å; R128-Q131 PolarHBondContact O-N 3.17Å; Q131-A134 PolarHBondContact O-N 2.92Å; Q131-R135 WeakPolarHBondContact O-CB 3.37Å; Q131-R135 VanDerWaalsContact O-CG 3.29Å; Q131-R135 WeakPolarHBondContact O-CG 3.48Å; Q131-R135 PolarHBondContact O-N 2.9Å; Q131-Y141 HydrophobicContact CB-CD1 4.12Å
132	D	98.8	Very high	98.2	Very high	72 Å²	72	61.1 Å²	61.1	39%	0.385	32%	0.32	S	S	.	.	H	α-helix	trans	-67.7	-39.7	177.7	-71.4	-23.1	0	0	0	111	R128 Q129 R135 S136	R128-D132 IonicContact NE-OD2 4Å; R128-D132 WeakPolarHBondContact O-CB 3.47Å; R128-D132 VanDerWaalsContact O-CG 3.26Å; R128-D132 PolarHBondContact O-N 2.95Å; Q129-D132 PolarHBondContact O-N 3.42Å; D132-R135 PolarHBondContact O-N 2.88Å; D132-R135 IonicContact OD1-NH1 3.73Å; D132-S136 PolarHBondContact O-N 3.31Å
133	L	98.6	Very high	98.5	Very high	38 Å²	38	59.9 Å²	59.9	20%	0.199	30%	0.303	C	S	.	.	H	α-helix	trans	-60.4	-50.8	172.2	-174.4	68.8	0	0	0	111.4	F90 L113 Q129 A130 R135 S136 Y137	F90-L133 HydrophobicContact CD2-CD2 4.3Å; F90-L133 HydrophobicContact CE1-CD2 4.24Å; F90-L133 HydrophobicContact CE2-CB 4.31Å; F90-L133 HydrophobicContact CE2-CD2 3.47Å; F90-L133 VanDerWaalsContact CE2-CD2 3.47Å; F90-L133 HydrophobicContact CZ-CB 3.88Å; F90-L133 HydrophobicContact CZ-CD2 3.44Å; F90-L133 VanDerWaalsContact CZ-CD2 3.44Å; F90-L133 HydrophobicContact CZ-CG 4.25Å; L113-L133 HydrophobicContact CD2-CD2 4.34Å; Q129-L133 PolarHBondContact O-N 3.32Å; A130-L133 PolarHBondContact O-N 2.98Å; L133-R135 VanDerWaalsContact C-N 3.29Å; L133-R135 PolarHBondContact O-N 3.23Å; L133-S136 WeakPolarHBondContact O-CB 3.48Å; L133-S136 PolarHBondContact O-N 3.36Å; L133-S136 VanDerWaalsContact O-N 3.07Å; L133-S136 PolarHBondContact O-OG 2.9Å; L133-Y137 HydrophobicContact CD1-CE1 4.03Å; L133-Y137 HydrophobicContact CD1-CE2 3.89Å; L133-Y137 HydrophobicContact CD2-CE2 4.02Å; L133-Y137 HydrophobicContact CG-CD2 4.19Å; L133-Y137 HydrophobicContact CG-CE2 3.77Å; L133-Y137 PolarHBondContact O-N 2.67Å
134	A	98.8	Very high	98.5	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-59.2	-40.5	179.4	0	0	0	0	0	112.3	L113 A130 Q131 S136 Y137 G138 I139	L113-A134 HydrophobicContact CB-CB 4.17Å; L113-A134 HydrophobicContact CD2-CB 3.89Å; A130-A134 WeakPolarHBondContact O-CB 3.31Å; A130-A134 PolarHBondContact O-N 3.08Å; Q131-A134 PolarHBondContact O-N 2.92Å; A134-S136 PolarHBondContact O-N 2.87Å; A134-Y137 CarbonylContact O-C 3.57Å; A134-Y137 PolarHBondContact O-N 2.96Å; A134-Y137 VanDerWaalsContact O-N 3.16Å; A134-G138 PolarHBondContact O-N 2.99Å; A134-I139 CarbonylContact C-O 3.58Å; A134-I139 HydrophobicContact CB-CG1 4.25Å; A134-I139 WeakPolarHBondContact CB-O 3.5Å; A134-I139 PolarHBondContact O-N 2.98Å
135	R	98.6	Very high	98.5	Very high	170 Å²	170	53.5 Å²	53.5	64%	0.642	27%	0.271	S	S	*	.	H	α-helix	trans	-60.4	-44.3	173.3	-77.1	173.8	-176.4	-178.2	0.1	112	Q131 D132 L133 Y137 G138	Q131-R135 WeakPolarHBondContact O-CB 3.37Å; Q131-R135 VanDerWaalsContact O-CG 3.29Å; Q131-R135 WeakPolarHBondContact O-CG 3.48Å; Q131-R135 PolarHBondContact O-N 2.9Å; D132-R135 PolarHBondContact O-N 2.88Å; D132-R135 IonicContact OD1-NH1 3.73Å; L133-R135 VanDerWaalsContact C-N 3.29Å; L133-R135 PolarHBondContact O-N 3.23Å; R135-Y137 PolarHBondContact O-N 2.91Å; R135-G138 PolarHBondContact O-N 3.03Å
136	S	98.2	Very high	98.5	Very high	84 Å²	84	53.6 Å²	53.6	59%	0.587	27%	0.272	S	S	*	.	H	α-helix	trans	-63.7	-26.9	176.9	77	0	0	0	0	113.1	D132 L133 A134	D132-S136 PolarHBondContact O-N 3.31Å; L133-S136 WeakPolarHBondContact O-CB 3.48Å; L133-S136 PolarHBondContact O-N 3.36Å; L133-S136 VanDerWaalsContact O-N 3.07Å; L133-S136 PolarHBondContact O-OG 2.9Å; A134-S136 PolarHBondContact O-N 2.87Å
137	Y	98.1	Very high	98.5	Very high	38 Å²	38	53.9 Å²	53.9	15%	0.149	27%	0.271	C	S	.	.	H	α-helix	trans	-87.5	-9.2	174.5	-68.3	-11.6	0	0	0	113.6	I93 H94 R97 L133 A134 R135 I139	I93-Y137 HydrophobicContact CG2-CE2 4.3Å; H94-Y137 PolarHBondContact ND1-OH 2.84Å; H94-Y137 VanDerWaalsContact ND1-OH 3.14Å; R97-Y137 VanDerWaalsContact CD-CD2 3.45Å; L133-Y137 HydrophobicContact CD1-CE1 4.03Å; L133-Y137 HydrophobicContact CD1-CE2 3.89Å; L133-Y137 HydrophobicContact CD2-CE2 4.02Å; L133-Y137 HydrophobicContact CG-CD2 4.19Å; L133-Y137 HydrophobicContact CG-CE2 3.77Å; L133-Y137 PolarHBondContact O-N 2.67Å; A134-Y137 CarbonylContact O-C 3.57Å; A134-Y137 PolarHBondContact O-N 2.96Å; A134-Y137 VanDerWaalsContact O-N 3.16Å; R135-Y137 PolarHBondContact O-N 2.91Å; Y137-I139 VanDerWaalsContact C-N 3.32Å; Y137-I139 HydrophobicContact CD2-CD1 4.32Å
138	G	97.7	Very high	98.5	Very high	66 Å²	66	55.5 Å²	55.5	68%	0.68	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.4	27.6	-176.1	0	0	0	0	0	113.7	A134 R135	A134-G138 PolarHBondContact O-N 2.99Å; R135-G138 PolarHBondContact O-N 3.03Å
139	I	98.7	Very high	98.4	Very high	20 Å²	20	51.2 Å²	51.2	10%	0.103	26%	0.263	C	S	.	.			trans	-122.5	157	-176.7	68.4	176.6	0	0	0	112.6	M111 L113 A134 Y137	M111-I139 HydrophobicContact CB-CD1 4.03Å; M111-I139 HydrophobicContact CB-CG2 4.15Å; M111-I139 HydrophobicContact CE-CG2 4.47Å; L113-I139 HydrophobicContact CB-CD1 4.04Å; L113-I139 HydrophobicContact CB-CG1 4.48Å; A134-I139 CarbonylContact C-O 3.58Å; A134-I139 HydrophobicContact CB-CG1 4.25Å; A134-I139 WeakPolarHBondContact CB-O 3.5Å; A134-I139 PolarHBondContact O-N 2.98Å; Y137-I139 VanDerWaalsContact C-N 3.32Å; Y137-I139 HydrophobicContact CD2-CD1 4.32Å
140	P	98.8	Very high	98.5	Very high	32 Å²	32	51.9 Å²	51.9	21%	0.208	27%	0.267	C	S	.	.			trans	-64.9	149.6	173.3	-21.5	34.5	0	0	0	112.6	M111 V112 L113 T158 E162	M111-P140 WeakPolarHBondContact O-CD 3.31Å; V112-P140 HydrophobicContact CG1-CB 4.35Å; V112-P140 HydrophobicContact CG2-CB 4.32Å; V112-P140 HydrophobicContact CG2-CG 4.3Å; L113-P140 PolarHBondContact N-O 3.3Å; P140-T158 HydrophobicContact CB-CG2 3.74Å; P140-T158 HydrophobicContact CG-CG2 3.74Å; P140-E162 HydrophobicContact CG-CG 3.84Å
141	Y	98.9	Very high	98.5	Very high	28 Å²	28	52.4 Å²	52.4	11%	0.11	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	130.7	168.8	174.6	-124.6	0	0	0	109.8	F82 L113 A130 Q131 E143	F82-Y141 AromaticContact CE1-CE2 3.83Å; F82-Y141 HydrophobicContact CE1-CE2 3.83Å; F82-Y141 AromaticContact CZ-CE2 3.9Å; F82-Y141 HydrophobicContact CZ-CE2 3.9Å; L113-Y141 HydrophobicContact CB-CD2 4.1Å; L113-Y141 HydrophobicContact CD2-CD2 3.9Å; L113-Y141 HydrophobicContact CD2-CE2 4.42Å; L113-Y141 HydrophobicContact CG-CD2 3.81Å; L113-Y141 HydrophobicContact CG-CE2 4.34Å; L113-Y141 WeakPolarHBondContact O-CA 3.1Å; L113-Y141 WeakPolarHBondContact O-CD2 3.46Å; A130-Y141 HydrophobicContact CB-CD1 4.43Å; A130-Y141 HydrophobicContact CB-CD2 4.16Å; A130-Y141 HydrophobicContact CB-CE1 3.87Å; A130-Y141 HydrophobicContact CB-CE2 3.57Å; A130-Y141 WeakPolarHBondContact CB-OH 3.24Å; Q131-Y141 HydrophobicContact CB-CD1 4.12Å; Y141-E143 HydrophobicContact CE1-CG 3.72Å; Y141-E143 HydrophobicContact CE2-CG 4.31Å; Y141-E143 VanDerWaalsContact CZ-CG 3.45Å; Y141-E143 WeakPolarHBondContact OH-CG 3.36Å; Y141-E143 PolarHBondContact OH-OE1 2.99Å
142	I	98.9	Very high	98.5	Very high	25 Å²	25	49.5 Å²	49.5	13%	0.128	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	127.3	177.4	-63.5	177	0	0	0	109.2	V112 L113 V114 G115 T144 D154 A155 T158	V112-I142 HydrophobicContact CG1-CD1 4.21Å; V112-I142 HydrophobicContact CG1-CG1 4.31Å; L113-I142 PolarHBondContact O-N 3.09Å; V114-I142 WeakPolarHBondContact CA-O 3.36Å; G115-I142 PolarHBondContact N-O 3.42Å; I142-T144 HydrophobicContact CG2-CG2 3.93Å; I142-D154 HydrophobicContact CD1-CB 4.25Å; I142-D154 WeakPolarHBondContact CD1-O 3.48Å; I142-D154 HydrophobicContact CG2-CB 4.34Å; I142-A155 HydrophobicContact CG2-CB 4.24Å; I142-T158 HydrophobicContact CD1-CG2 3.99Å; I142-T158 WeakPolarHBondContact CD1-OG1 3.36Å
143	E	98.8	Very high	98.4	Very high	41 Å²	41	48.9 Å²	48.9	19%	0.192	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	137.5	168.1	-71	-161.6	174.1	0	0	110.8	G115 C118 R123 S127 Y141	G115-E143 CarbonylContact O-C 3.6Å; G115-E143 WeakPolarHBondContact O-CA 3.41Å; C118-E143 HydrophobicContact CB-CB 4.14Å; R123-E143 IonicContact CZ-OE1 2.65Å; R123-E143 IonicContact CZ-OE2 3.48Å; R123-E143 IonicContact NH1-OE1 2.77Å; R123-E143 PolarHBondContact NH1-OE1 3.32Å; R123-E143 IonicContact NH1-OE2 2.85Å; R123-E143 IonicContact NH2-OE1 3.41Å; R123-E143 PolarHBondContact NH2-OE1 3.31Å; R123-E143 IonicContact NH2-OE2 3.25Å; R123-E143 PolarHBondContact NH2-OE2 3.16Å; S127-E143 VanDerWaalsContact CB-OE1 3.26Å; S127-E143 WeakPolarHBondContact CB-OE1 3.24Å; S127-E143 PolarHBondContact OG-OE1 3.34Å; Y141-E143 HydrophobicContact CE1-CG 3.72Å; Y141-E143 HydrophobicContact CE2-CG 4.31Å; Y141-E143 VanDerWaalsContact CZ-CG 3.45Å; Y141-E143 WeakPolarHBondContact OH-CG 3.36Å; Y141-E143 PolarHBondContact OH-OE1 2.99Å
144	T	98.9	Very high	98.4	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	27%	0.267	C	S	.	.			trans	-133.1	153.1	-176.6	59.4	0	0	0	0	111.7	L19 V114 G115 N116 K117 C118 I142 Q150 G151 A155	L19-T144 HydrophobicContact CD2-CG2 4.41Å; V114-T144 HydrophobicContact CG1-CG2 3.7Å; V114-T144 VanDerWaalsContact CG1-OG1 3.24Å; V114-T144 WeakPolarHBondContact CG1-OG1 3.33Å; G115-T144 PolarHBondContact O-N 3.5Å; N116-T144 CarbonylContact C-O 3.52Å; N116-T144 VanDerWaalsContact CA-O 3.28Å; N116-T144 WeakPolarHBondContact CA-O 3.28Å; N116-T144 WeakPolarHBondContact CA-OG1 3.32Å; N116-T144 PolarHBondContact OD1-O 3.49Å; N116-T144 PolarHBondContact OD1-OG1 3.35Å; K117-T144 PolarHBondContact N-O 3.1Å; C118-T144 PolarHBondContact N-O 2.74Å; C118-T144 PolarHBondContact SG-O 3.21Å; I142-T144 HydrophobicContact CG2-CG2 3.93Å; T144-Q150 CarbonylContact C-O 3.55Å; T144-Q150 VanDerWaalsContact CA-O 3.24Å; T144-Q150 WeakPolarHBondContact CA-O 3.21Å; T144-G151 WeakPolarHBondContact CG2-O 3.36Å; T144-A155 HydrophobicContact CG2-CB 3.96Å
145	S	98.6	Very high	98.4	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	27%	0.268	C	S	.	.			trans	-129.6	109.7	161.3	173.9	0	0	0	0	107.8	D119 K147 T148 R149 Q150	D119-S145 WeakPolarHBondContact CB-OG 3.47Å; D119-S145 VanDerWaalsContact OD1-CB 3.28Å; D119-S145 WeakPolarHBondContact OD1-CB 3.2Å; D119-S145 PolarHBondContact OD1-OG 3.29Å; S145-K147 PolarHBondContact O-N 3.3Å; S145-K147 PolarHBondContact OG-N 3.4Å; S145-T148 VanDerWaalsContact CB-OG1 3.23Å; S145-T148 WeakPolarHBondContact CB-OG1 3.42Å; S145-T148 PolarHBondContact O-N 3.22Å; S145-T148 PolarHBondContact OG-N 3.14Å; S145-T148 PolarHBondContact OG-OG1 2.65Å; S145-R149 CarbonylContact O-C 3.33Å; S145-R149 VanDerWaalsContact O-CA 3.31Å; S145-R149 WeakPolarHBondContact O-CA 3.29Å; S145-R149 PolarHBondContact O-N 3.07Å; S145-Q150 PolarHBondContact N-O 3.33Å; S145-Q150 PolarHBondContact O-N 3.28Å
146	A	98.4	Very high	98.5	Very high	3 Å²	3	43.5 Å²	43.5	3%	0.025	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-35.6	168	0	0	0	0	0	111.2	A18 L19 Q22 F28 N116	A18-A146 HydrophobicContact CB-CB 3.64Å; L19-A146 HydrophobicContact CD2-CB 3.95Å; L19-A146 HydrophobicContact CG-CB 4.25Å; Q22-A146 WeakPolarHBondContact CG-O 3.43Å; Q22-A146 PolarHBondContact NE2-O 3.16Å; F28-A146 HydrophobicContact CD2-CB 4.04Å; F28-A146 HydrophobicContact CE2-CB 4.15Å; N116-A146 PolarHBondContact OD1-N 2.99Å
147	K	97.7	Very high	98.5	Very high	118 Å²	118	40.9 Å²	40.9	51%	0.513	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-47.1	-179	-174.9	176.2	-176.3	170.4	0	113.1	F28 D119 S145	F28-K147 HydrophobicContact CD1-CB 4.41Å; F28-K147 HydrophobicContact CD1-CG 4.19Å; F28-K147 HydrophobicContact CD2-CB 4.24Å; F28-K147 HydrophobicContact CE1-CB 4.3Å; F28-K147 HydrophobicContact CE1-CG 4.13Å; F28-K147 HydrophobicContact CE2-CB 4.12Å; F28-K147 HydrophobicContact CG-CB 4.38Å; F28-K147 HydrophobicContact CZ-CB 4.15Å; F28-K147 HydrophobicContact CZ-CG 4.44Å; D119-K147 WeakPolarHBondContact OD2-CD 3.36Å; S145-K147 PolarHBondContact O-N 3.3Å; S145-K147 PolarHBondContact OG-N 3.4Å
148	T	97.7	Very high	98.5	Very high	79 Å²	79	40.3 Å²	40.3	49%	0.485	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.2	0.1	-176.7	70	0	0	0	0	113.6	D119 S145 Q150	D119-T148 HydrophobicContact CB-CG2 4.01Å; S145-T148 VanDerWaalsContact CB-OG1 3.23Å; S145-T148 WeakPolarHBondContact CB-OG1 3.42Å; S145-T148 PolarHBondContact O-N 3.22Å; S145-T148 PolarHBondContact OG-N 3.14Å; S145-T148 PolarHBondContact OG-OG1 2.65Å; T148-Q150 PolarHBondContact O-N 3.04Å; T148-Q150 WeakPolarHBondContact OG1-CB 3.49Å; T148-Q150 PolarHBondContact OG1-N 2.81Å
149	R	97.6	Very high	98.6	Very high	108 Å²	108	37.1 Å²	37.1	41%	0.408	18%	0.183	S	C	.	.			trans	68.2	-1.9	-172.5	-167.8	175.5	172.4	174	0.6	114.5	Q22 N26 S145 G151 V152 E153	Q22-R149 HydrophobicContact CG-CB 4.3Å; Q22-R149 HydrophobicContact CG-CG 4.24Å; N26-R149 PolarHBondContact OD1-NH1 2.99Å; N26-R149 VanDerWaalsContact OD1-NH1 3.16Å; N26-R149 PolarHBondContact OD1-NH2 3.21Å; N26-R149 VanDerWaalsContact OD1-NH2 3.11Å; S145-R149 CarbonylContact O-C 3.33Å; S145-R149 VanDerWaalsContact O-CA 3.31Å; S145-R149 WeakPolarHBondContact O-CA 3.29Å; S145-R149 PolarHBondContact O-N 3.07Å; R149-G151 PolarHBondContact O-N 3.47Å; R149-V152 WeakPolarHBondContact O-CG2 3.43Å; R149-V152 PolarHBondContact O-N 2.91Å; R149-E153 IonicContact CZ-OE1 3.35Å; R149-E153 IonicContact NE-OE1 3.89Å; R149-E153 IonicContact NH2-OE1 3.85Å; R149-E153 PolarHBondContact NH2-OE1 3.29Å
150	Q	98.6	Very high	98.6	Very high	107 Å²	107	36.2 Å²	36.2	50%	0.5	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	129.7	179.3	179.9	179.2	-30.3	0	0	111.3	T144 S145 T148 V152	T144-Q150 CarbonylContact C-O 3.55Å; T144-Q150 VanDerWaalsContact CA-O 3.24Å; T144-Q150 WeakPolarHBondContact CA-O 3.21Å; S145-Q150 PolarHBondContact N-O 3.33Å; S145-Q150 PolarHBondContact O-N 3.28Å; T148-Q150 PolarHBondContact O-N 3.04Å; T148-Q150 WeakPolarHBondContact OG1-CB 3.49Å; T148-Q150 PolarHBondContact OG1-N 2.81Å; Q150-V152 PolarHBondContact O-N 3.42Å
151	G	98.5	Very high	98.6	Very high	10 Å²	10	38.3 Å²	38.3	10%	0.103	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.8	-2.1	173.9	0	0	0	0	0	115.8	T144 R149 D154 A155	T144-G151 WeakPolarHBondContact CG2-O 3.36Å; R149-G151 PolarHBondContact O-N 3.47Å; G151-D154 PolarHBondContact O-N 3.01Å; G151-A155 WeakPolarHBondContact O-CB 3.28Å; G151-A155 PolarHBondContact O-N 3.27Å
152	V	98.7	Very high	98.6	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.006	18%	0.183	C	C	.	.	H	α-helix	trans	-61.6	-54.9	-175.2	176.9	0	0	0	0	110.3	L19 Q22 L23 R149 Q150 D154 A155 F156	L19-V152 HydrophobicContact CD2-CG2 3.8Å; Q22-V152 HydrophobicContact CB-CG1 4.45Å; Q22-V152 HydrophobicContact CG-CG1 4.37Å; Q22-V152 HydrophobicContact CG-CG2 4.1Å; L23-V152 HydrophobicContact CB-CG1 3.94Å; R149-V152 WeakPolarHBondContact O-CG2 3.43Å; R149-V152 PolarHBondContact O-N 2.91Å; Q150-V152 PolarHBondContact O-N 3.42Å; V152-D154 VanDerWaalsContact C-N 3.32Å; V152-D154 PolarHBondContact O-N 2.94Å; V152-A155 PolarHBondContact O-N 3.29Å; V152-F156 HydrophobicContact CG1-CD2 4.4Å; V152-F156 HydrophobicContact CG1-CE2 4.31Å; V152-F156 VanDerWaalsContact O-CD2 3.3Å; V152-F156 WeakPolarHBondContact O-CD2 3.48Å; V152-F156 PolarHBondContact O-N 2.9Å
153	E	98.5	Very high	98.6	Very high	58 Å²	58	37.2 Å²	37.2	27%	0.271	18%	0.177	S	C	.	.	H	α-helix	trans	-62.2	-41.4	176.9	-71.4	-173.5	-162.5	0	0	111.7	L23 R149 A155 F156 Y157	L23-E153 HydrophobicContact CD1-CG 3.9Å; R149-E153 IonicContact CZ-OE1 3.35Å; R149-E153 IonicContact NE-OE1 3.89Å; R149-E153 IonicContact NH2-OE1 3.85Å; R149-E153 PolarHBondContact NH2-OE1 3.29Å; E153-A155 VanDerWaalsContact C-N 3.3Å; E153-A155 PolarHBondContact O-N 3.24Å; E153-F156 PolarHBondContact O-N 3.29Å; E153-Y157 HydrophobicContact CB-CD2 4.12Å; E153-Y157 HydrophobicContact CB-CE2 3.73Å; E153-Y157 HydrophobicContact CG-CE2 4.17Å; E153-Y157 VanDerWaalsContact O-CB 3.26Å; E153-Y157 WeakPolarHBondContact O-CB 3.45Å; E153-Y157 WeakPolarHBondContact O-CD1 3.41Å; E153-Y157 PolarHBondContact O-N 3.27Å; E153-Y157 WeakPolarHBondContact OE2-CE2 3.23Å; E153-Y157 PolarHBondContact OE2-OH 2.85Å
154	D	98.7	Very high	98.5	Very high	94 Å²	94	37 Å²	37	50%	0.503	17%	0.174	S	C	.	.	H	α-helix	trans	-58	-41.8	179.1	-61.9	-39.1	0	0	0	111.9	I142 G151 V152 T158	I142-D154 HydrophobicContact CD1-CB 4.25Å; I142-D154 WeakPolarHBondContact CD1-O 3.48Å; I142-D154 HydrophobicContact CG2-CB 4.34Å; G151-D154 PolarHBondContact O-N 3.01Å; V152-D154 VanDerWaalsContact C-N 3.32Å; V152-D154 PolarHBondContact O-N 2.94Å; D154-T158 WeakPolarHBondContact O-CB 3.27Å; D154-T158 PolarHBondContact O-N 2.75Å; D154-T158 PolarHBondContact O-OG1 2.82Å
155	A	98.9	Very high	98.5	Very high	1 Å²	1	41 Å²	41	1%	0.008	19%	0.193	C	C	.	.	H	α-helix	trans	-60.7	-54.7	178.3	0	0	0	0	0	111.9	L79 V114 I142 T144 G151 V152 E153 L159	L79-A155 HydrophobicContact CD1-CB 4.46Å; L79-A155 HydrophobicContact CD2-CB 4.43Å; V114-A155 HydrophobicContact CG2-CB 4.07Å; I142-A155 HydrophobicContact CG2-CB 4.24Å; T144-A155 HydrophobicContact CG2-CB 3.96Å; G151-A155 WeakPolarHBondContact O-CB 3.28Å; G151-A155 PolarHBondContact O-N 3.27Å; V152-A155 PolarHBondContact O-N 3.29Å; E153-A155 VanDerWaalsContact C-N 3.3Å; E153-A155 PolarHBondContact O-N 3.24Å; A155-L159 PolarHBondContact O-N 2.88Å; A155-L159 VanDerWaalsContact O-N 3.11Å
156	F	98.9	Very high	98.4	Very high	1 Å²	1	42.1 Å²	42.1	0%	0.004	20%	0.198	C	C	.	.	H	α-helix	trans	-68	-39.3	-178.5	-73.5	-86.5	0	0	0	112.3	L6 V8 L19 L23 I55 L79 V152 E153 L159 V160	L6-F156 HydrophobicContact CD1-CD1 3.89Å; V8-F156 HydrophobicContact CG2-CE1 3.93Å; V8-F156 HydrophobicContact CG2-CZ 4.15Å; L19-F156 HydrophobicContact CB-CE2 4.31Å; L23-F156 HydrophobicContact CB-CD2 4.29Å; L23-F156 HydrophobicContact CB-CE2 4.15Å; L23-F156 HydrophobicContact CD2-CB 3.97Å; L23-F156 HydrophobicContact CD2-CD1 3.89Å; L23-F156 HydrophobicContact CD2-CD2 3.6Å; L23-F156 HydrophobicContact CD2-CE1 4.25Å; L23-F156 HydrophobicContact CD2-CE2 3.98Å; L23-F156 HydrophobicContact CD2-CG 3.56Å; L23-F156 HydrophobicContact CD2-CZ 4.29Å; L23-F156 HydrophobicContact CG-CD2 4.34Å; I55-F156 HydrophobicContact CD1-CD1 3.91Å; I55-F156 HydrophobicContact CD1-CE1 3.77Å; I55-F156 HydrophobicContact CG1-CE1 4.44Å; I55-F156 HydrophobicContact CG2-CE1 3.88Å; L79-F156 HydrophobicContact CD1-CD1 3.61Å; L79-F156 HydrophobicContact CD1-CD2 4.01Å; L79-F156 HydrophobicContact CD1-CE1 3.45Å; L79-F156 VanDerWaalsContact CD1-CE1 3.45Å; L79-F156 HydrophobicContact CD1-CE2 3.88Å; L79-F156 HydrophobicContact CD1-CG 3.89Å; L79-F156 HydrophobicContact CD1-CZ 3.6Å; L79-F156 HydrophobicContact CG-CE1 4.49Å; V152-F156 HydrophobicContact CG1-CD2 4.4Å; V152-F156 HydrophobicContact CG1-CE2 4.31Å; V152-F156 VanDerWaalsContact O-CD2 3.3Å; V152-F156 WeakPolarHBondContact O-CD2 3.48Å; V152-F156 PolarHBondContact O-N 2.9Å; E153-F156 PolarHBondContact O-N 3.29Å; F156-L159 PolarHBondContact O-N 3.38Å; F156-V160 PolarHBondContact O-N 3.16Å; F156-V160 VanDerWaalsContact O-N 3.13Å
157	Y	98.8	Very high	98.3	Very high	29 Å²	29	45.6 Å²	45.6	11%	0.114	21%	0.213	C	C	.	.	H	α-helix	trans	-73.8	-35	-178.4	-62.1	-4.9	0	0	0	111.7	L23 V44 I46 L53 E153 L159 V160 R161	L23-Y157 HydrophobicContact CD1-CE1 4.43Å; V44-Y157 HydrophobicContact CB-CE1 4.26Å; V44-Y157 HydrophobicContact CG1-CE1 4.21Å; V44-Y157 HydrophobicContact CG2-CE1 4.1Å; I46-Y157 HydrophobicContact CD1-CD1 3.42Å; I46-Y157 VanDerWaalsContact CD1-CD1 3.42Å; I46-Y157 HydrophobicContact CD1-CE1 4.04Å; I46-Y157 HydrophobicContact CD1-CG 3.8Å; I46-Y157 HydrophobicContact CG1-CD1 3.74Å; I46-Y157 HydrophobicContact CG1-CD2 4.2Å; I46-Y157 HydrophobicContact CG1-CE1 4.13Å; I46-Y157 HydrophobicContact CG1-CG 3.79Å; L53-Y157 HydrophobicContact CD1-CE1 4.35Å; E153-Y157 HydrophobicContact CB-CD2 4.12Å; E153-Y157 HydrophobicContact CB-CE2 3.73Å; E153-Y157 HydrophobicContact CG-CE2 4.17Å; E153-Y157 VanDerWaalsContact O-CB 3.26Å; E153-Y157 WeakPolarHBondContact O-CB 3.45Å; E153-Y157 WeakPolarHBondContact O-CD1 3.41Å; E153-Y157 PolarHBondContact O-N 3.27Å; E153-Y157 WeakPolarHBondContact OE2-CE2 3.23Å; E153-Y157 PolarHBondContact OE2-OH 2.85Å; Y157-L159 VanDerWaalsContact C-N 3.3Å; Y157-L159 PolarHBondContact O-N 3.01Å; Y157-V160 PolarHBondContact O-N 3.11Å; Y157-R161 WeakPolarHBondContact O-CG 3.33Å; Y157-R161 PolarHBondContact O-N 2.69Å
158	T	98.9	Very high	98.1	Very high	25 Å²	25	45 Å²	45	15%	0.153	22%	0.215	C	C	.	.	H	α-helix	trans	-62.7	-40	171	-61.3	0	0	0	0	110.9	V112 P140 I142 D154 V160 R161 E162	V112-T158 HydrophobicContact CG2-CG2 3.97Å; P140-T158 HydrophobicContact CB-CG2 3.74Å; P140-T158 HydrophobicContact CG-CG2 3.74Å; I142-T158 HydrophobicContact CD1-CG2 3.99Å; I142-T158 WeakPolarHBondContact CD1-OG1 3.36Å; D154-T158 WeakPolarHBondContact O-CB 3.27Å; D154-T158 PolarHBondContact O-N 2.75Å; D154-T158 PolarHBondContact O-OG1 2.82Å; T158-V160 VanDerWaalsContact C-N 3.32Å; T158-V160 PolarHBondContact O-N 2.96Å; T158-R161 WeakPolarHBondContact O-CA 3.42Å; T158-R161 WeakPolarHBondContact O-CB 3.43Å; T158-R161 PolarHBondContact O-N 2.94Å; T158-R161 VanDerWaalsContact O-N 3.07Å; T158-E162 PolarHBondContact O-N 3.37Å
159	L	98.9	Very high	97.8	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-61.8	-40	175.1	-177.1	61.4	0	0	0	112.4	L6 L79 P110 V112 A155 F156 Y157 R161 E162 I163	L6-L159 HydrophobicContact CB-CD2 4.18Å; L6-L159 HydrophobicContact CD1-CD2 4.44Å; L6-L159 HydrophobicContact CD2-CD2 3.85Å; L6-L159 HydrophobicContact CD2-CG 4.1Å; L6-L159 HydrophobicContact CG-CD2 4.38Å; L79-L159 HydrophobicContact CD2-CB 3.95Å; L79-L159 HydrophobicContact CD2-CD2 3.8Å; L79-L159 HydrophobicContact CD2-CG 4.4Å; L79-L159 HydrophobicContact CG-CD2 3.81Å; P110-L159 HydrophobicContact CB-CD1 4.46Å; V112-L159 HydrophobicContact CG2-CB 3.92Å; V112-L159 HydrophobicContact CG2-CD1 4.1Å; A155-L159 PolarHBondContact O-N 2.88Å; A155-L159 VanDerWaalsContact O-N 3.11Å; F156-L159 PolarHBondContact O-N 3.38Å; Y157-L159 VanDerWaalsContact C-N 3.3Å; Y157-L159 PolarHBondContact O-N 3.01Å; L159-R161 VanDerWaalsContact C-N 3.3Å; L159-R161 PolarHBondContact O-N 3.47Å; L159-E162 PolarHBondContact O-N 2.9Å; L159-I163 HydrophobicContact CG-CD1 4.38Å; L159-I163 WeakPolarHBondContact O-CG1 3.49Å; L159-I163 PolarHBondContact O-N 2.92Å
160	V	98.9	Very high	97.3	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-60.2	-41.2	172.9	172	0	0	0	0	111.3	Y4 L6 I46 L53 F156 Y157 T158 I163 R164	Y4-V160 HydrophobicContact CD1-CG1 4.34Å; Y4-V160 HydrophobicContact CD2-CG1 3.75Å; Y4-V160 HydrophobicContact CD2-CG2 4.19Å; Y4-V160 HydrophobicContact CE1-CG1 4.17Å; Y4-V160 HydrophobicContact CE2-CG1 3.54Å; Y4-V160 HydrophobicContact CG-CG1 4.15Å; Y4-V160 HydrophobicContact CG-CG2 4.24Å; L6-V160 HydrophobicContact CD1-CG2 4.3Å; L6-V160 HydrophobicContact CD2-CG2 4.39Å; I46-V160 HydrophobicContact CD1-CB 3.82Å; I46-V160 HydrophobicContact CD1-CG1 3.89Å; I46-V160 HydrophobicContact CD1-CG2 3.72Å; L53-V160 HydrophobicContact CD2-CG2 3.55Å; F156-V160 PolarHBondContact O-N 3.16Å; F156-V160 VanDerWaalsContact O-N 3.13Å; Y157-V160 PolarHBondContact O-N 3.11Å; T158-V160 VanDerWaalsContact C-N 3.32Å; T158-V160 PolarHBondContact O-N 2.96Å; V160-I163 PolarHBondContact O-N 3.1Å; V160-R164 WeakPolarHBondContact O-CG 3.49Å; V160-R164 PolarHBondContact O-N 3.41Å
161	R	98.8	Very high	96.8	Very high	76 Å²	76	49.1 Å²	49.1	29%	0.287	23%	0.23	S	C	.	.	H	α-helix	trans	-63.3	-40.8	175.4	-66.9	173.2	-173	123.3	-2.7	111.9	D47 Y157 T158 L159 R164 Q165	D47-R161 IonicContact OD1-CZ 3.57Å; D47-R161 IonicContact OD1-NE 3.26Å; D47-R161 PolarHBondContact OD1-NE 2.9Å; D47-R161 IonicContact OD1-NH2 3.04Å; D47-R161 PolarHBondContact OD1-NH2 3.33Å; D47-R161 WeakPolarHBondContact OD2-CG 3.42Å; D47-R161 IonicContact OD2-CZ 3.83Å; D47-R161 IonicContact OD2-NE 3.66Å; D47-R161 PolarHBondContact OD2-NE 3.13Å; D47-R161 IonicContact OD2-NH2 2.74Å; Y157-R161 WeakPolarHBondContact O-CG 3.33Å; Y157-R161 PolarHBondContact O-N 2.69Å; T158-R161 WeakPolarHBondContact O-CA 3.42Å; T158-R161 WeakPolarHBondContact O-CB 3.43Å; T158-R161 PolarHBondContact O-N 2.94Å; T158-R161 VanDerWaalsContact O-N 3.07Å; L159-R161 VanDerWaalsContact C-N 3.3Å; L159-R161 PolarHBondContact O-N 3.47Å; R161-R164 WeakPolarHBondContact O-CB 3.08Å; R161-R164 PolarHBondContact O-N 3.2Å; R161-Q165 WeakPolarHBondContact O-CG 3.35Å; R161-Q165 PolarHBondContact O-N 3.05Å
162	E	98.8	Very high	96.1	Very high	29 Å²	29	54.6 Å²	54.6	14%	0.136	26%	0.256	C	S	.	.	H	α-helix	trans	-62.8	-41.7	174.4	-67.7	-52	119.5	0	0	111.8	P110 V112 P140 T158 L159 R164 Q165 H166	P110-E162 HydrophobicContact CB-CB 4.09Å; V112-E162 HydrophobicContact CG2-CG 4.35Å; P140-E162 HydrophobicContact CG-CG 3.84Å; T158-E162 PolarHBondContact O-N 3.37Å; L159-E162 PolarHBondContact O-N 2.9Å; E162-R164 PolarHBondContact O-N 3.03Å; E162-Q165 PolarHBondContact O-N 2.6Å; E162-H166 WeakPolarHBondContact O-CB 3.44Å; E162-H166 PolarHBondContact O-N 3.42Å
163	I	98.7	Very high	94.9	Very high	1 Å²	1	59 Å²	59	1%	0.005	29%	0.285	C	S	.	.	H	α-helix	trans	-62.2	-44	175.1	-64	164.8	0	0	0	110.9	Y4 L6 E76 P110 L159 V160 H166 K167	Y4-I163 HydrophobicContact CD1-CB 4.25Å; Y4-I163 HydrophobicContact CD1-CD1 4.27Å; Y4-I163 HydrophobicContact CD1-CG2 3.8Å; Y4-I163 HydrophobicContact CE1-CB 4.44Å; Y4-I163 HydrophobicContact CE1-CG2 3.98Å; L6-I163 HydrophobicContact CD2-CD1 3.39Å; E76-I163 HydrophobicContact CB-CD1 4.04Å; E76-I163 HydrophobicContact CB-CG1 4.42Å; E76-I163 HydrophobicContact CB-CG2 4.21Å; P110-I163 HydrophobicContact CB-CG1 3.73Å; P110-I163 HydrophobicContact CG-CG1 4.11Å; L159-I163 HydrophobicContact CG-CD1 4.38Å; L159-I163 WeakPolarHBondContact O-CG1 3.49Å; L159-I163 PolarHBondContact O-N 2.92Å; V160-I163 PolarHBondContact O-N 3.1Å; I163-H166 PolarHBondContact O-N 2.79Å; I163-K167 HydrophobicContact CG2-CD 4.19Å; I163-K167 HydrophobicContact CG2-CG 4.5Å; I163-K167 WeakPolarHBondContact O-CG 3.47Å; I163-K167 PolarHBondContact O-N 2.96Å
164	R	98.1	Very high	93.6	Very high	38 Å²	38	61.5 Å²	61.5	14%	0.143	31%	0.307	C	S	.	.	H	α-helix	trans	-59.3	-48.8	176.1	-73.3	170.3	174.3	173.7	-4.1	111.1	Y4 I46 D47 E49 V160 R161 E162 K167 L168	Y4-R164 HydrophobicContact CE1-CG 4.18Å; Y4-R164 VanDerWaalsContact OH-CG 3.28Å; Y4-R164 WeakPolarHBondContact OH-CG 3.36Å; Y4-R164 PolarHBondContact OH-NE 3.37Å; I46-R164 PolarHBondContact O-NH1 3.01Å; I46-R164 PolarHBondContact O-NH2 3.31Å; D47-R164 IonicContact OD2-NH1 2.87Å; D47-R164 PolarHBondContact OD2-NH1 2.56Å; E49-R164 IonicContact OE2-CZ 3.17Å; E49-R164 VanDerWaalsContact OE2-CZ 3.27Å; E49-R164 IonicContact OE2-NE 3.42Å; E49-R164 PolarHBondContact OE2-NE 3.41Å; E49-R164 IonicContact OE2-NH2 3.56Å; E49-R164 PolarHBondContact OE2-NH2 3.12Å; V160-R164 WeakPolarHBondContact O-CG 3.49Å; V160-R164 PolarHBondContact O-N 3.41Å; R161-R164 WeakPolarHBondContact O-CB 3.08Å; R161-R164 PolarHBondContact O-N 3.2Å; E162-R164 PolarHBondContact O-N 3.03Å; R164-K167 PolarHBondContact O-N 3.29Å; R164-L168 WeakPolarHBondContact O-CG 3.29Å; R164-L168 PolarHBondContact O-N 3.08Å
165	Q	97.5	Very high	92.2	Very high	83 Å²	83	63.6 Å²	63.6	39%	0.388	32%	0.318	S	S	.	.	H	α-helix	trans	-61.6	-45.7	178.8	-72.3	-177.7	33.1	0	0	112.1	R161 E162 K167 L168 R169	R161-Q165 WeakPolarHBondContact O-CG 3.35Å; R161-Q165 PolarHBondContact O-N 3.05Å; E162-Q165 PolarHBondContact O-N 2.6Å; Q165-K167 VanDerWaalsContact C-N 3.35Å; Q165-K167 PolarHBondContact O-N 2.75Å; Q165-L168 WeakPolarHBondContact O-CB 2.93Å; Q165-L168 PolarHBondContact O-N 3.25Å; Q165-L168 VanDerWaalsContact O-N 3.14Å; Q165-R169 WeakPolarHBondContact O-CG 3.26Å; Q165-R169 PolarHBondContact O-N 3.2Å
166	H	97.3	Very high	90.4	Very high	23 Å²	23	72.7 Å²	72.7	11%	0.106	36%	0.36	C	S	.	.	H	α-helix	trans	-61.7	-40.6	177.1	165.1	-96.8	0	0	0	112.2	D108 P110 E162 I163 L168 R169 K170	D108-H166 PolarHBondContact O-NE2 2.98Å; D108-H166 IonicContact OD2-CD2 3.74Å; P110-H166 HydrophobicContact CG-CB 3.55Å; E162-H166 WeakPolarHBondContact O-CB 3.44Å; E162-H166 PolarHBondContact O-N 3.42Å; I163-H166 PolarHBondContact O-N 2.79Å; H166-L168 VanDerWaalsContact C-N 3.32Å; H166-L168 PolarHBondContact O-N 2.97Å; H166-R169 PolarHBondContact O-N 2.61Å; H166-K170 PolarHBondContact CE1-NZ 3.37Å; H166-K170 VanDerWaalsContact CE1-NZ 3.27Å; H166-K170 WeakPolarHBondContact NE2-CE 3.26Å; H166-K170 PolarHBondContact NE2-NZ 3.39Å; H166-K170 PolarHBondContact O-N 3.1Å; H166-K170 VanDerWaalsContact O-N 3.11Å
167	K	95.7	Very high	88.3	Confident	77 Å²	77	76.5 Å²	76.5	34%	0.335	39%	0.387	S	S	.	.	H	α-helix	trans	-60.9	-40.6	172.9	-74.5	178.8	179.9	-179.2	0	111.8	E76 I163 R164 Q165 K170 L171	E76-K167 VanDerWaalsContact OE1-CE 3.23Å; E76-K167 WeakPolarHBondContact OE1-CE 3.44Å; E76-K167 IonicContact OE1-NZ 3.47Å; E76-K167 PolarHBondContact OE1-NZ 2.76Å; I163-K167 HydrophobicContact CG2-CD 4.19Å; I163-K167 HydrophobicContact CG2-CG 4.5Å; I163-K167 WeakPolarHBondContact O-CG 3.47Å; I163-K167 PolarHBondContact O-N 2.96Å; R164-K167 PolarHBondContact O-N 3.29Å; Q165-K167 VanDerWaalsContact C-N 3.35Å; Q165-K167 PolarHBondContact O-N 2.75Å; K167-K170 PolarHBondContact O-N 2.88Å; K167-L171 WeakPolarHBondContact O-CG 3.29Å; K167-L171 PolarHBondContact O-N 3.18Å
168	L	93.7	Very high	85.8	Confident	106 Å²	106	77.7 Å²	77.7	56%	0.555	41%	0.408	S	S	*	.	H	α-helix	trans	-65.8	-42.2	176.9	-68.7	171	0	0	0	112.6	R164 Q165 H166 K170 L171 N172	R164-L168 WeakPolarHBondContact O-CG 3.29Å; R164-L168 PolarHBondContact O-N 3.08Å; Q165-L168 WeakPolarHBondContact O-CB 2.93Å; Q165-L168 PolarHBondContact O-N 3.25Å; Q165-L168 VanDerWaalsContact O-N 3.14Å; H166-L168 VanDerWaalsContact C-N 3.32Å; H166-L168 PolarHBondContact O-N 2.97Å; L168-K170 VanDerWaalsContact C-N 3.29Å; L168-K170 PolarHBondContact O-N 2.85Å; L168-L171 PolarHBondContact O-N 2.91Å; L168-N172 PolarHBondContact O-N 3.37Å
169	R	90.8	Very high	83.4	Confident	111 Å²	111	82.5 Å²	82.5	42%	0.419	44%	0.44	S	S	.	.	H	α-helix	trans	-62.2	-35.7	176.5	-67.1	173.5	-161.4	151.4	5.4	112.2	D108 Q165 H166 N172	D108-R169 IonicContact OD1-NH1 3.73Å; D108-R169 IonicContact OD2-NH1 3.81Å; Q165-R169 WeakPolarHBondContact O-CG 3.26Å; Q165-R169 PolarHBondContact O-N 3.2Å; H166-R169 PolarHBondContact O-N 2.61Å; R169-N172 CarbonylContact O-C 3.51Å; R169-N172 VanDerWaalsContact O-C 3.28Å
170	K	87.8	Confident	80.7	Confident	135 Å²	135	85.5 Å²	85.5	59%	0.587	47%	0.47	S	S	*	.	H	α-helix	trans	-70.9	-29.2	175.9	-76.3	-171.8	166.9	172.7	0	113.9	H166 K167 L168	H166-K170 PolarHBondContact CE1-NZ 3.37Å; H166-K170 VanDerWaalsContact CE1-NZ 3.27Å; H166-K170 WeakPolarHBondContact NE2-CE 3.26Å; H166-K170 PolarHBondContact NE2-NZ 3.39Å; H166-K170 PolarHBondContact O-N 3.1Å; H166-K170 VanDerWaalsContact O-N 3.11Å; K167-K170 PolarHBondContact O-N 2.88Å; L168-K170 VanDerWaalsContact C-N 3.29Å; L168-K170 PolarHBondContact O-N 2.85Å
171	L	87	Confident	77.9	Confident	134 Å²	134	91.2 Å²	91.2	70%	0.702	51%	0.509	S	S	*	.	H	α-helix	trans	-80.5	-34.1	177	-69	170.6	0	0	0	112.3	K167 L168 P173	K167-L171 WeakPolarHBondContact O-CG 3.29Å; K167-L171 PolarHBondContact O-N 3.18Å; L168-L171 PolarHBondContact O-N 2.91Å; L171-P173 VanDerWaalsContact C-CD 3.47Å; L171-P173 WeakPolarHBondContact O-CD 3.16Å
172	N	83.7	Confident	75.3	Confident	124 Å²	124	96.6 Å²	96.6	66%	0.663	54%	0.539	S	S	*	.	S	Bend	trans	-120.5	72.1	179.3	-61.9	-32.7	0	0	0	109.3	L168 R169	L168-N172 PolarHBondContact O-N 3.37Å; R169-N172 CarbonylContact O-C 3.51Å; R169-N172 VanDerWaalsContact O-C 3.28Å
173	P	75	Confident	72.5	Confident	93 Å²	93	99.7 Å²	99.7	60%	0.604	56%	0.564	S	S	*	*			trans	-56.7	139.5	175.1	24.7	-32.3	0	0	0	108.8	L171 D175	L171-P173 VanDerWaalsContact C-CD 3.47Å; L171-P173 WeakPolarHBondContact O-CD 3.16Å; P173-D175 PolarHBondContact O-N 3.02Å
174	P	69.9	Low	69.7	Low	112 Å²	112	105.3 Å²	105.3	73%	0.727	60%	0.602	S	S	*	*			trans	-54.4	132.9	172.7	23.6	-31.4	0	0	0	108.1	E176	P174-E176 PolarHBondContact O-N 3.49Å
175	D	70.2	Confident	66.9	Low	137 Å²	137	113 Å²	113	73%	0.733	64%	0.637	S	S	*	*			trans	-59.6	111.5	178	-160.9	1.8	0	0	0	107.4	P173 S177	P173-D175 PolarHBondContact O-N 3.02Å; D175-S177 PolarHBondContact O-N 3.06Å; D175-S177 PolarHBondContact OD1-OG 2.83Å; D175-S177 PolarHBondContact OD2-OG 2.99Å
176	E	61.9	Low	64.3	Low	192 Å²	192	114.1 Å²	114.1	90%	0.897	65%	0.652	S	S	*	*			trans	-68.3	7.7	178	-70.3	-160.4	143.3	0	0	112	P174 G178	P174-E176 PolarHBondContact O-N 3.49Å; E176-G178 PolarHBondContact O-N 3.14Å
177	S	53	Low	61.7	Low	82 Å²	82	118.8 Å²	118.8	57%	0.573	68%	0.682	S	S	*	*			trans	-70.8	42.3	169.7	68.1	0	0	0	0	113.3	D175	D175-S177 PolarHBondContact O-N 3.06Å; D175-S177 PolarHBondContact OD1-OG 2.83Å; D175-S177 PolarHBondContact OD2-OG 2.99Å
178	G	47.7	Very low	59.2	Low	53 Å²	53	123.1 Å²	123.1	55%	0.546	71%	0.708	S	S	.	*	S	Bend	trans	-66.8	131.4	154.1	0	0	0	0	0	108.2	E176 G180	E176-G178 PolarHBondContact O-N 3.14Å; G178-G180 PolarHBondContact O-N 2.95Å
179	P	47.1	Very low	56.8	Low	127 Å²	127	126.5 Å²	126.5	83%	0.825	74%	0.741	S	S	*	*	P	Polyproline II helix	trans	-58.5	117	-170.6	22.5	-30.9	0	0	0	109.5	C181	P179-C181 PolarHBondContact O-N 3.13Å
180	G	42.9	Very low	55.1	Low	62 Å²	62	127.3 Å²	127.3	64%	0.639	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-46.1	120.3	171.2	0	0	0	0	0	108.8	G178 M182	G178-G180 PolarHBondContact O-N 2.95Å; G180-M182 PolarHBondContact O-N 2.86Å
181	C	40.6	Very low	53.4	Low	121 Å²	121	126.9 Å²	126.9	82%	0.818	77%	0.766	S	S	*	*			trans	-62.7	82.7	170.4	179.6	0	0	0	0	108.1	P179 S183	P179-C181 PolarHBondContact O-N 3.13Å; C181-S183 PolarHBondContact O-N 3.18Å
182	M	42.9	Very low	51.5	Low	188 Å²	188	126.5 Å²	126.5	93%	0.926	77%	0.77	S	S	*	*			trans	-77.8	68.1	168.4	-78	-158.1	-83.6	0	0	108.8	G180	G180-M182 PolarHBondContact O-N 2.86Å
183	S	41.4	Very low	49.6	Very low	94 Å²	94	126.6 Å²	126.6	66%	0.657	78%	0.776	S	S	*	*			trans	-167.8	83.2	163.3	-178.5	0	0	0	0	111.8	C181	C181-S183 PolarHBondContact O-N 3.18Å
184	C	38.9	Very low	48	Very low	119 Å²	119	128.8 Å²	128.8	80%	0.804	79%	0.787	S	S	*	*			trans	-157.3	59.6	145.7	-101.1	0	0	0	0	108.6	C186	C184-C186 PolarHBondContact O-N 2.88Å
185	K	39.7	Very low	46.6	Very low	201 Å²	201	129.9 Å²	129.9	87%	0.874	79%	0.791	S	S	*	*			trans	-74.3	86	155.4	-82	-172.8	176.5	-178.7	0	106.5	V187	K185-V187 VanDerWaalsContact C-N 3.3Å; K185-V187 PolarHBondContact O-N 3.42Å
186	C	42.3	Very low	44.9	Very low	105 Å²	105	129.4 Å²	129.4	71%	0.709	80%	0.795	S	S	*	*			trans	-60.4	100	160.8	-71.3	0	0	0	0	107.1	C184 L188	C184-C186 PolarHBondContact O-N 2.88Å; C186-L188 VanDerWaalsContact C-N 3.33Å; C186-L188 PolarHBondContact O-N 3.44Å; C186-L188 VanDerWaalsContact O-N 3.09Å
187	V	43.8	Very low	43.6	Very low	121 Å²	121	124.5 Å²	124.5	73%	0.733	79%	0.787	S	S	*	*			trans	-70.6	97	165.2	-177.9	0	0	0	0	105.5	K185 S189	K185-V187 VanDerWaalsContact C-N 3.3Å; K185-V187 PolarHBondContact O-N 3.42Å; V187-S189 PolarHBondContact O-N 3.29Å
188	L	43.1	Very low	42.8	Very low	169 Å²	169	128.1 Å²	128.1	89%	0.885	81%	0.805	S	S	*	*			trans	-77.3	97.6	161.7	-78.8	157.2	0	0	0	106.2	C186	C186-L188 VanDerWaalsContact C-N 3.33Å; C186-L188 PolarHBondContact O-N 3.44Å; C186-L188 VanDerWaalsContact O-N 3.09Å
189	S	43.6	Very low	42.4	Very low	177 Å²	177	134.9 Å²	134.9	100%	1.238	83%	0.828	S	S	*	*			trans	-80.1	0	156.7	-62.1	0	0	0	0	110	V187	V187-S189 PolarHBondContact O-N 3.29Å

Retrieved 189 of 189 residues in 63.1 ms (Link to these results)

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