C0HAH5_SALSA Loading...

small monomeric GTPase

AlphaFold DB , UniProt , Accession C0HAH5, Species SALSA (Salmo salar, Atlantic salmon), Gene RASK, 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	79.1	Confident	94	Very high	144 Å²	144	32.7 Å²	32.7	71%	0.709	16%	0.163	S	C	*	.				0	127.9	0	-177.7	-179.5	-72.1	0	0	107.1	Q43 T50 L52	M1-Q43 HydrophobicContact CE-CG 3.88Å; M1-Q43 HydrophobicContact SD-CG 4Å; M1-T50 HydrophobicContact CE-CG2 3.76Å; M1-L52 HydrophobicContact SD-CB 4.11Å
2	T	93.7	Very high	93.7	Very high	43 Å²	43	33.2 Å²	33.2	26%	0.264	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	131.8	-178.8	-48.7	0	0	0	0	109.4	Y4 E49 C51 L52	T2-Y4 HydrophobicContact CG2-CE1 4.12Å; T2-Y4 HydrophobicContact CG2-CE2 3.86Å; T2-E49 WeakPolarHBondContact CB-OE1 3.32Å; T2-E49 PolarHBondContact OG1-OE1 3.36Å; T2-C51 CarbonylContact O-C 3.53Å; T2-C51 WeakPolarHBondContact O-CA 3.49Å; T2-C51 VanDerWaalsContact O-CB 3.24Å; T2-C51 WeakPolarHBondContact O-CB 3.37Å; T2-L52 PolarHBondContact O-N 3.04Å
3	E	96.8	Very high	93.4	Very high	68 Å²	68	33.2 Å²	33.2	32%	0.318	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	142.3	173.4	-173.1	176	-155.5	0	0	109.5	R41 L52 D54 R167	E3-R41 IonicContact OE1-CZ 2.62Å; E3-R41 IonicContact OE1-NH2 3.38Å; E3-L52 CarbonylContact C-O 3.52Å; E3-L52 WeakPolarHBondContact CA-O 3.4Å; E3-L52 HydrophobicContact CG-CB 4.46Å; E3-L52 HydrophobicContact CG-CD2 4.3Å; E3-D54 HydrophobicContact CG-CB 4.35Å; E3-R167 PolarHBondContact O-NH2 2.69Å
4	Y	98	Very high	93.5	Very high	6 Å²	6	30.9 Å²	30.9	2%	0.024	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	118.1	175.1	-64.5	-73.7	0	0	0	109.9	T2 L6 C51 L52 L53 D54 V160 I163 R164	T2-Y4 HydrophobicContact CG2-CE1 4.12Å; T2-Y4 HydrophobicContact CG2-CE2 3.86Å; Y4-L6 PolarHBondContact O-N 2.83Å; Y4-C51 HydrophobicContact CD2-CB 3.77Å; Y4-C51 HydrophobicContact CE2-CB 3.57Å; Y4-L52 PolarHBondContact N-O 3.34Å; Y4-L53 HydrophobicContact CD2-CD2 4.42Å; Y4-D54 PolarHBondContact O-N 2.92Å; Y4-V160 HydrophobicContact CD1-CG1 4.42Å; Y4-V160 HydrophobicContact CD2-CG1 3.78Å; Y4-V160 HydrophobicContact CD2-CG2 4.2Å; Y4-V160 HydrophobicContact CE1-CG1 4.21Å; Y4-V160 HydrophobicContact CE2-CG1 3.54Å; Y4-V160 HydrophobicContact CG-CG1 4.22Å; Y4-V160 HydrophobicContact CG-CG2 4.27Å; Y4-I163 HydrophobicContact CD1-CB 4.31Å; Y4-I163 HydrophobicContact CD1-CD1 4.28Å; Y4-I163 HydrophobicContact CD1-CG2 3.84Å; Y4-I163 HydrophobicContact CE1-CB 4.46Å; Y4-I163 HydrophobicContact CE1-CG2 3.98Å; Y4-R164 HydrophobicContact CE1-CG 4.3Å; Y4-R164 WeakPolarHBondContact OH-CG 3.35Å; Y4-R164 PolarHBondContact OH-NE 3.46Å
5	K	97.4	Very high	93.5	Very high	84 Å²	84	29.7 Å²	29.7	37%	0.365	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	106.2	176.9	-61.4	178.6	179.2	-178.5	0	110.4	D54 E76 G77	K5-D54 CarbonylContact C-O 3.6Å; K5-D54 WeakPolarHBondContact CA-O 3.05Å; K5-D54 HydrophobicContact CG-CB 4.33Å; K5-E76 HydrophobicContact CB-CG 4.17Å; K5-E76 PolarHBondContact N-OE1 3.42Å; K5-E76 PolarHBondContact O-N 2.77Å; K5-G77 PolarHBondContact O-N 2.62Å
6	L	97.9	Very high	93.5	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.005	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	139	-178.4	-48.4	-174.1	0	0	0	109.3	Y4 L53 D54 I55 L56 F156 L159 V160 I163	Y4-L6 PolarHBondContact O-N 2.83Å; L6-L53 HydrophobicContact CD1-CD1 4.45Å; L6-L53 HydrophobicContact CD1-CD2 4.22Å; L6-D54 PolarHBondContact N-O 2.94Å; L6-I55 HydrophobicContact CB-CG1 4.39Å; L6-I55 HydrophobicContact CD1-CG1 4.41Å; L6-I55 WeakPolarHBondContact O-CA 3.33Å; L6-L56 PolarHBondContact O-N 3.36Å; L6-F156 HydrophobicContact CD1-CD1 3.95Å; L6-L159 HydrophobicContact CB-CD2 4.27Å; L6-L159 HydrophobicContact CD1-CD2 4.49Å; L6-L159 HydrophobicContact CD2-CD2 3.85Å; L6-L159 HydrophobicContact CD2-CG 4.11Å; L6-L159 HydrophobicContact CG-CD2 4.42Å; L6-V160 HydrophobicContact CD1-CG2 4.3Å; L6-V160 HydrophobicContact CD2-CG2 4.4Å; L6-I163 HydrophobicContact CD2-CD1 3.42Å; L6-I163 VanDerWaalsContact CD2-CD1 3.42Å
7	V	96.4	Very high	93.4	Very high	3 Å²	3	27.7 Å²	27.7	2%	0.018	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	130.3	176	-175.4	0	0	0	0	109.1	V9 L56 T58 Y71 G77 F78 L79	V7-V9 HydrophobicContact CG1-CG1 3.83Å; V7-L56 HydrophobicContact CG1-CD2 4.47Å; V7-L56 HydrophobicContact CG2-CB 4.36Å; V7-T58 HydrophobicContact CG1-CG2 3.84Å; V7-Y71 HydrophobicContact CG1-CD2 3.86Å; V7-Y71 HydrophobicContact CG1-CE2 4.33Å; V7-G77 PolarHBondContact N-O 3.26Å; V7-F78 HydrophobicContact CB-CD1 3.75Å; V7-F78 HydrophobicContact CB-CE1 3.83Å; V7-F78 HydrophobicContact CG1-CD1 4.21Å; V7-F78 HydrophobicContact CG1-CE1 4.24Å; V7-F78 HydrophobicContact CG2-CD1 4.41Å; V7-F78 HydrophobicContact CG2-CE1 4.02Å; V7-F78 CarbonylContact O-C 3.59Å; V7-F78 WeakPolarHBondContact O-CA 3.42Å; V7-L79 PolarHBondContact O-N 3.31Å
8	V	95.8	Very high	93.5	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	113.7	177.2	-166.6	0	0	0	0	108.8	K16 I55 L56 T58 L79 V81 F156	V8-K16 HydrophobicContact CB-CB 4.41Å; V8-K16 HydrophobicContact CG1-CB 3.66Å; V8-K16 HydrophobicContact CG1-CD 4.18Å; V8-K16 HydrophobicContact CG1-CG 3.87Å; V8-I55 HydrophobicContact CG2-CG2 3.88Å; V8-L56 PolarHBondContact N-O 3.05Å; V8-T58 PolarHBondContact O-OG1 3.33Å; V8-T58 VanDerWaalsContact O-OG1 3.04Å; V8-L79 HydrophobicContact CG1-CB 4.27Å; V8-L79 HydrophobicContact CG2-CD1 4.26Å; V8-V81 HydrophobicContact CG1-CG2 3.58Å; V8-F156 HydrophobicContact CG2-CE1 4.08Å; V8-F156 HydrophobicContact CG2-CZ 4.39Å
9	V	94.1	Very high	93.6	Very high	0 Å²	0	26 Å²	26	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	157.1	-178.7	-59	0	0	0	0	111.5	V7 Y71 F78 L79 V81 Y96 I100	V7-V9 HydrophobicContact CG1-CG1 3.83Å; V9-Y71 HydrophobicContact CG1-CE2 4.47Å; V9-F78 HydrophobicContact CG1-CD1 4.4Å; V9-L79 WeakPolarHBondContact CG2-O 3.48Å; V9-L79 PolarHBondContact N-O 3.38Å; V9-L79 VanDerWaalsContact O-O 3.1Å; V9-V81 PolarHBondContact O-N 2.61Å; V9-Y96 HydrophobicContact CB-CD1 4.13Å; V9-Y96 HydrophobicContact CG2-CD1 4.46Å; V9-Y96 HydrophobicContact CG2-CG 4.47Å; V9-I100 HydrophobicContact CG2-CD1 4.02Å
10	G	93.6	Very high	93.6	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	15%	0.151	C	C	.	.			trans	147	167.8	-178.1	0	0	0	0	0	112.1	K16 V81 Y96	G10-K16 WeakPolarHBondContact O-CE 3.41Å; G10-K16 PolarHBondContact O-NZ 2.75Å; G10-V81 WeakPolarHBondContact CA-O 3.23Å; G10-Y96 VanDerWaalsContact C-CZ 3.41Å; G10-Y96 PolarHBondContact O-OH 2.87Å
11	A	91.8	Very high	93.6	Very high	11 Å²	11	24.9 Å²	24.9	9%	0.091	15%	0.151	C	C	.	.	S	Bend	trans	-58.4	163.9	-176.9	0	0	0	0	0	113.1	V14 K16 Y96	A11-V14 HydrophobicContact CB-CG1 3.92Å; A11-V14 VanDerWaalsContact O-CG2 3.26Å; A11-V14 WeakPolarHBondContact O-CG2 3.44Å; A11-K16 PolarHBondContact O-NZ 2.94Å; A11-Y96 WeakPolarHBondContact CA-OH 3.47Å; A11-Y96 PolarHBondContact N-OH 3.15Å
12	G	89.8	Confident	94.3	Very high	38 Å²	38	18.5 Å²	18.5	39%	0.392	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	141.4	171.7	0	0	0	0	0	112.2	V14 G60	G12-V14 VanDerWaalsContact C-N 3.25Å; G12-V14 PolarHBondContact O-N 2.81Å; G12-V14 VanDerWaalsContact O-N 3.16Å; G12-G60 PolarHBondContact N-O 3.26Å
13	G	89.7	Confident	94.3	Very high	34 Å²	34	16.5 Å²	16.5	35%	0.351	11%	0.107	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.4	4.8	173.2	0	0	0	0	0	116.8	G15 K117	G13-G15 PolarHBondContact O-N 2.93Å; G13-K117 WeakPolarHBondContact O-CE 3.43Å; G13-K117 PolarHBondContact O-NZ 3.46Å
14	V	94.6	Very high	94.1	Very high	0 Å²	0	15 Å²	15	0%	0	10%	0.1	C	C	.	.	S	Bend	trans	-72.1	-16.4	176.5	-57.9	0	0	0	0	113.5	A11 G12 K16 V81 A83 N116	A11-V14 HydrophobicContact CB-CG1 3.92Å; A11-V14 VanDerWaalsContact O-CG2 3.26Å; A11-V14 WeakPolarHBondContact O-CG2 3.44Å; G12-V14 VanDerWaalsContact C-N 3.25Å; G12-V14 PolarHBondContact O-N 2.81Å; G12-V14 VanDerWaalsContact O-N 3.16Å; V14-K16 HydrophobicContact CG2-CD 4.31Å; V14-K16 HydrophobicContact CG2-CG 3.6Å; V14-V81 HydrophobicContact CB-CG1 4.35Å; V14-V81 HydrophobicContact CG2-CB 4.05Å; V14-V81 HydrophobicContact CG2-CG1 3.85Å; V14-A83 HydrophobicContact CB-CB 4.31Å; V14-A83 HydrophobicContact CG1-CB 4.4Å; V14-N116 PolarHBondContact O-ND2 2.91Å
15	G	93.8	Very high	93.7	Very high	13 Å²	13	20 Å²	20	13%	0.134	12%	0.124	C	C	.	.	S	Bend	trans	98	34.8	177.6	0	0	0	0	0	115	G13 A18 L19	G13-G15 PolarHBondContact O-N 2.93Å; G15-A18 PolarHBondContact O-N 3.06Å; G15-L19 WeakPolarHBondContact O-CG 3.37Å; G15-L19 PolarHBondContact O-N 2.92Å
16	K	94.1	Very high	93.2	Very high	9 Å²	9	19.9 Å²	19.9	4%	0.039	13%	0.128	C	C	.	.	H	α-helix	trans	-59.7	-56	175.3	-57.5	-171.8	-62.7	-76.6	0	111.6	V8 G10 A11 V14 A18 L19 T20 D57 T58 G60 V81	V8-K16 HydrophobicContact CB-CB 4.41Å; V8-K16 HydrophobicContact CG1-CB 3.66Å; V8-K16 HydrophobicContact CG1-CD 4.18Å; V8-K16 HydrophobicContact CG1-CG 3.87Å; G10-K16 WeakPolarHBondContact O-CE 3.41Å; G10-K16 PolarHBondContact O-NZ 2.75Å; A11-K16 PolarHBondContact O-NZ 2.94Å; V14-K16 HydrophobicContact CG2-CD 4.31Å; V14-K16 HydrophobicContact CG2-CG 3.6Å; K16-A18 VanDerWaalsContact C-N 3.31Å; K16-A18 PolarHBondContact O-N 2.91Å; K16-L19 WeakPolarHBondContact O-CB 3.33Å; K16-L19 PolarHBondContact O-N 2.86Å; K16-L19 VanDerWaalsContact O-N 3.12Å; K16-T20 PolarHBondContact O-N 3.22Å; K16-T20 PolarHBondContact O-OG1 2.74Å; K16-D57 VanDerWaalsContact CB-OD1 3.25Å; K16-D57 WeakPolarHBondContact CB-OD1 3.45Å; K16-T58 WeakPolarHBondContact CE-O 3.45Å; K16-G60 VanDerWaalsContact NZ-CA 3.32Å; K16-V81 HydrophobicContact CG-CB 4.29Å; K16-V81 HydrophobicContact CG-CG2 4.47Å
17	S	92.3	Very high	92.5	Very high	17 Å²	17	24.7 Å²	24.7	12%	0.119	15%	0.15	C	C	.	.	H	α-helix	trans	-57.9	-43.6	175.5	-36	0	0	0	0	111.7	L19 T20 I21 T35 D57	S17-L19 VanDerWaalsContact C-N 3.35Å; S17-L19 PolarHBondContact O-N 3.34Å; S17-T20 PolarHBondContact O-N 3.45Å; S17-I21 WeakPolarHBondContact O-CB 3.35Å; S17-I21 VanDerWaalsContact O-CG1 3.24Å; S17-I21 WeakPolarHBondContact O-CG1 3.32Å; S17-I21 PolarHBondContact O-N 3.37Å; S17-T35 PolarHBondContact OG-OG1 3.16Å; S17-D57 WeakPolarHBondContact CA-OD2 3.35Å; S17-D57 WeakPolarHBondContact CB-OD2 3.45Å; S17-D57 PolarHBondContact N-OD1 3.49Å; S17-D57 PolarHBondContact OG-OD2 2.91Å
18	A	93.6	Very high	91.7	Very high	22 Å²	22	27.1 Å²	27.1	18%	0.182	16%	0.16	C	C	.	.	H	α-helix	trans	-61.3	-40	177.5	0	0	0	0	0	112.6	G15 K16 Q22 F28 A146	G15-A18 PolarHBondContact O-N 3.06Å; K16-A18 VanDerWaalsContact C-N 3.31Å; K16-A18 PolarHBondContact O-N 2.91Å; A18-Q22 WeakPolarHBondContact O-CB 3.47Å; A18-Q22 PolarHBondContact O-N 3.41Å; A18-F28 HydrophobicContact CB-CE2 4.14Å; A18-A146 HydrophobicContact CB-CB 3.72Å
19	L	95.8	Very high	90.7	Very high	1 Å²	1	30 Å²	30	1%	0.005	18%	0.177	C	C	.	.	H	α-helix	trans	-66	-44.2	174.3	-74	170.2	0	0	0	111.6	G15 K16 S17 Q22 L23 V81 V114 N116 A146 V152 F156	G15-L19 WeakPolarHBondContact O-CG 3.37Å; G15-L19 PolarHBondContact O-N 2.92Å; K16-L19 WeakPolarHBondContact O-CB 3.33Å; K16-L19 PolarHBondContact O-N 2.86Å; K16-L19 VanDerWaalsContact O-N 3.12Å; S17-L19 VanDerWaalsContact C-N 3.35Å; S17-L19 PolarHBondContact O-N 3.34Å; L19-Q22 PolarHBondContact O-N 2.92Å; L19-L23 PolarHBondContact O-N 3.33Å; L19-V81 HydrophobicContact CD1-CG1 3.89Å; L19-V81 HydrophobicContact CD1-CG2 4.21Å; L19-V114 HydrophobicContact CD1-CG1 4.06Å; L19-N116 HydrophobicContact CD1-CB 4.34Å; L19-A146 HydrophobicContact CD2-CB 3.94Å; L19-A146 HydrophobicContact CG-CB 4.2Å; L19-V152 HydrophobicContact CD2-CG1 4.27Å; L19-V152 HydrophobicContact CD2-CG2 3.83Å; L19-F156 HydrophobicContact CB-CE2 4.32Å; L19-F156 HydrophobicContact CB-CZ 4.43Å
20	T	94.1	Very high	89.6	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-64.2	-51	179.5	-56.9	0	0	0	0	111.2	K16 S17 Q22 L23 I24 Y40 I55	K16-T20 PolarHBondContact O-N 3.22Å; K16-T20 PolarHBondContact O-OG1 2.74Å; S17-T20 PolarHBondContact O-N 3.45Å; T20-Q22 VanDerWaalsContact C-N 3.32Å; T20-Q22 PolarHBondContact O-N 2.99Å; T20-L23 WeakPolarHBondContact O-CB 3.24Å; T20-L23 PolarHBondContact O-N 3.41Å; T20-L23 VanDerWaalsContact O-N 3.15Å; T20-I24 HydrophobicContact CG2-CG1 4.32Å; T20-I24 VanDerWaalsContact O-CG1 3.23Å; T20-I24 WeakPolarHBondContact O-CG1 3.39Å; T20-I24 PolarHBondContact O-N 3.34Å; T20-Y40 HydrophobicContact CG2-CD2 3.35Å; T20-Y40 HydrophobicContact CG2-CE2 3.83Å; T20-Y40 HydrophobicContact CG2-CG 3.86Å; T20-I55 HydrophobicContact CG2-CB 4.36Å; T20-I55 HydrophobicContact CG2-CG2 3.81Å
21	I	92.8	Very high	88.4	Confident	29 Å²	29	44.6 Å²	44.6	15%	0.149	25%	0.25	C	S	.	.	H	α-helix	trans	-60.7	-42.9	177.5	-65.6	167.9	0	0	0	110.5	S17 L23 I24 Q25 V29	S17-I21 WeakPolarHBondContact O-CB 3.35Å; S17-I21 VanDerWaalsContact O-CG1 3.24Å; S17-I21 WeakPolarHBondContact O-CG1 3.32Å; S17-I21 PolarHBondContact O-N 3.37Å; I21-L23 VanDerWaalsContact C-N 3.29Å; I21-L23 PolarHBondContact O-N 3.16Å; I21-I24 PolarHBondContact O-N 3.41Å; I21-I24 VanDerWaalsContact O-N 3.13Å; I21-Q25 HydrophobicContact CG2-CB 4.36Å; I21-Q25 HydrophobicContact CG2-CG 4.45Å; I21-Q25 PolarHBondContact O-N 3.03Å; I21-V29 HydrophobicContact CG2-CG2 4.09Å
22	Q	94.8	Very high	86.9	Confident	10 Å²	10	50.7 Å²	50.7	5%	0.047	27%	0.272	C	S	.	.	H	α-helix	trans	-62.1	-38.5	177.6	-175.5	65.2	-75	0	0	111.6	A18 L19 T20 N26 H27 A146 R149 V152	A18-Q22 WeakPolarHBondContact O-CB 3.47Å; A18-Q22 PolarHBondContact O-N 3.41Å; L19-Q22 PolarHBondContact O-N 2.92Å; T20-Q22 VanDerWaalsContact C-N 3.32Å; T20-Q22 PolarHBondContact O-N 2.99Å; Q22-N26 WeakPolarHBondContact O-CA 3.21Å; Q22-N26 PolarHBondContact O-N 3.35Å; Q22-H27 WeakPolarHBondContact CA-O 3.37Å; Q22-A146 WeakPolarHBondContact CG-O 3.45Å; Q22-A146 PolarHBondContact NE2-O 2.76Å; Q22-R149 HydrophobicContact CG-CB 4.11Å; Q22-R149 HydrophobicContact CG-CG 3.99Å; Q22-V152 HydrophobicContact CB-CG1 4.45Å; Q22-V152 HydrophobicContact CG-CG1 4.43Å; Q22-V152 HydrophobicContact CG-CG2 4.13Å
23	L	94.6	Very high	85.6	Confident	1 Å²	1	55.5 Å²	55.5	1%	0.005	29%	0.288	C	S	.	.	H	α-helix	trans	-65.2	-45.4	172.6	-176.4	74.7	0	0	0	111.6	L19 T20 I21 K42 L53 I55 V152 E153 F156	L19-L23 PolarHBondContact O-N 3.33Å; T20-L23 WeakPolarHBondContact O-CB 3.24Å; T20-L23 PolarHBondContact O-N 3.41Å; T20-L23 VanDerWaalsContact O-N 3.15Å; I21-L23 VanDerWaalsContact C-N 3.29Å; I21-L23 PolarHBondContact O-N 3.16Å; L23-K42 PolarHBondContact O-NZ 3.26Å; L23-L53 HydrophobicContact CD2-CD1 4.17Å; L23-I55 HydrophobicContact CD2-CD1 3.44Å; L23-I55 VanDerWaalsContact CD2-CD1 3.44Å; L23-V152 HydrophobicContact CB-CG1 4.13Å; L23-E153 HydrophobicContact CD1-CG 3.79Å; L23-F156 HydrophobicContact CB-CD2 4.35Å; L23-F156 HydrophobicContact CB-CE2 4.12Å; L23-F156 HydrophobicContact CD1-CD2 4.16Å; L23-F156 HydrophobicContact CD2-CB 4.1Å; L23-F156 HydrophobicContact CD2-CD1 3.82Å; L23-F156 HydrophobicContact CD2-CD2 3.67Å; L23-F156 HydrophobicContact CD2-CE1 4.11Å; L23-F156 HydrophobicContact CD2-CE2 3.98Å; L23-F156 HydrophobicContact CD2-CG 3.59Å; L23-F156 HydrophobicContact CD2-CZ 4.19Å; L23-F156 HydrophobicContact CG-CD2 4.27Å
24	I	92.1	Very high	84.5	Confident	36 Å²	36	57.2 Å²	57.2	19%	0.185	29%	0.293	C	S	.	.	H	α-helix	trans	-76.3	-51	-171.3	-60.9	-67.3	0	0	0	111.9	T20 I21 Y40 K42 I55	T20-I24 HydrophobicContact CG2-CG1 4.32Å; T20-I24 VanDerWaalsContact O-CG1 3.23Å; T20-I24 WeakPolarHBondContact O-CG1 3.39Å; T20-I24 PolarHBondContact O-N 3.34Å; I21-I24 PolarHBondContact O-N 3.41Å; I21-I24 VanDerWaalsContact O-N 3.13Å; I24-Y40 HydrophobicContact CG1-CD1 4.39Å; I24-Y40 HydrophobicContact CG1-CG 4.26Å; I24-K42 HydrophobicContact CD1-CB 3.45Å; I24-K42 VanDerWaalsContact CD1-CB 3.45Å; I24-K42 HydrophobicContact CD1-CD 4.16Å; I24-K42 HydrophobicContact CD1-CG 4.38Å; I24-I55 HydrophobicContact CD1-CD1 4.23Å
25	Q	88.8	Confident	83	Confident	112 Å²	112	58.4 Å²	58.4	52%	0.523	30%	0.3	S	S	.	.	H	α-helix	trans	-103.9	-7.9	-167.5	-59.9	-177.8	-5.4	0	0	113.5	I21 H27	I21-Q25 HydrophobicContact CG2-CB 4.36Å; I21-Q25 HydrophobicContact CG2-CG 4.45Å; I21-Q25 PolarHBondContact O-N 3.03Å; Q25-H27 HydrophobicContact CB-CB 4.2Å; Q25-H27 PolarHBondContact O-N 3.29Å
26	N	88.2	Confident	81.7	Confident	81 Å²	81	65 Å²	65	43%	0.433	33%	0.331	S	S	.	.	S	Bend	trans	52.4	34.5	-170.3	-54.6	-63.8	0	0	0	112.4	Q22 R149	Q22-N26 WeakPolarHBondContact O-CA 3.21Å; Q22-N26 PolarHBondContact O-N 3.35Å; N26-R149 PolarHBondContact OD1-NH1 2.93Å; N26-R149 PolarHBondContact OD1-NH2 2.81Å
27	H	82.9	Confident	80.4	Confident	101 Å²	101	69.1 Å²	69.1	47%	0.468	35%	0.35	S	S	.	.			trans	-130.9	143.1	-178.6	-174.5	56	0	0	0	109.8	Q22 Q25	Q22-H27 WeakPolarHBondContact CA-O 3.37Å; Q25-H27 HydrophobicContact CB-CB 4.2Å; Q25-H27 PolarHBondContact O-N 3.29Å
28	F	79.8	Confident	80	Confident	54 Å²	54	71.9 Å²	71.9	24%	0.237	36%	0.364	C	S	.	.			trans	-106.6	122.5	172.5	-179.1	-109.2	0	0	0	108.6	A18 D30 A146 K147	A18-F28 HydrophobicContact CB-CE2 4.14Å; F28-D30 WeakPolarHBondContact CE1-OD1 3.48Å; F28-A146 HydrophobicContact CD2-CB 4.31Å; F28-A146 HydrophobicContact CE2-CB 4.18Å; F28-K147 HydrophobicContact CD1-CB 4.44Å; F28-K147 HydrophobicContact CD1-CG 4.13Å; F28-K147 HydrophobicContact CD2-CB 4.37Å; F28-K147 HydrophobicContact CE1-CB 4.12Å; F28-K147 HydrophobicContact CE1-CD 4.35Å; F28-K147 HydrophobicContact CE1-CG 3.89Å; F28-K147 HydrophobicContact CE2-CB 4.09Å; F28-K147 HydrophobicContact CZ-CB 3.97Å; F28-K147 HydrophobicContact CZ-CG 4.23Å
29	V	74.5	Confident	79.7	Confident	60 Å²	60	74.4 Å²	74.4	36%	0.364	38%	0.38	S	S	.	.			trans	-96.9	115.4	178	-175	0	0	0	0	107.9	I21 E31	I21-V29 HydrophobicContact CG2-CG2 4.09Å; V29-E31 WeakPolarHBondContact CG1-O 3.11Å
30	D	70.2	Confident	79.5	Confident	135 Å²	135	76.5 Å²	76.5	72%	0.722	39%	0.388	S	S	*	.			trans	-74.6	-29.1	178.2	-88	-49.9	0	0	0	112.3	F28	F28-D30 WeakPolarHBondContact CE1-OD1 3.48Å
31	E	68	Low	79.6	Confident	173 Å²	173	83.7 Å²	83.7	81%	0.808	42%	0.416	S	S	*	.	S	Bend	trans	-82.2	122.2	178.5	-68.8	-176.3	-180	0	0	111	V29	V29-E31 WeakPolarHBondContact CG1-O 3.11Å
32	Y	60.3	Low	79.6	Confident	139 Å²	139	84.5 Å²	84.5	55%	0.545	42%	0.418	S	S	.	.			trans	-98.5	107.1	-178.6	-177.8	-99.4	0	0	0	110.4	P34	Y32-P34 HydrophobicContact CD1-CG 4.24Å; Y32-P34 HydrophobicContact CE1-CB 4.13Å; Y32-P34 HydrophobicContact CE1-CG 3.81Å
33	D	63.9	Low	79.8	Confident	139 Å²	139	89.8 Å²	89.8	74%	0.743	44%	0.443	S	S	*	.			trans	-94.4	119.9	160.8	-163.9	-2.6	0	0	0	108.3	T35	D33-T35 PolarHBondContact O-N 3.26Å
34	P	64.9	Low	79.8	Confident	70 Å²	70	90.2 Å²	90.2	46%	0.455	45%	0.445	S	S	.	.			trans	-54	113.2	177.7	-24	31.7	0	0	0	112.3	Y32	Y32-P34 HydrophobicContact CD1-CG 4.24Å; Y32-P34 HydrophobicContact CE1-CB 4.13Å; Y32-P34 HydrophobicContact CE1-CG 3.81Å
35	T	63.1	Low	80.1	Confident	24 Å²	24	92.8 Å²	92.8	15%	0.147	46%	0.462	C	S	.	.			trans	-66.4	140.8	178.2	-49.3	0	0	0	0	111.7	S17 D33 D38 A59	S17-T35 PolarHBondContact OG-OG1 3.16Å; D33-T35 PolarHBondContact O-N 3.26Å; T35-D38 HydrophobicContact CG2-CB 4.33Å; T35-A59 WeakPolarHBondContact O-CA 3.47Å; T35-A59 WeakPolarHBondContact O-CB 3.46Å
36	I	67	Low	80.5	Confident	152 Å²	152	87.5 Å²	87.5	78%	0.779	44%	0.438	S	S	*	.	S	Bend	trans	-87.2	-66.5	168.6	-60.6	174.6	0	0	0	108.8	A59	I36-A59 WeakPolarHBondContact O-CB 3.47Å; I36-A59 PolarHBondContact O-N 3.44Å; I36-A59 VanDerWaalsContact O-N 3.07Å
37	E	67.9	Low	80.8	Confident	95 Å²	95	88.5 Å²	88.5	44%	0.444	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.4	128.3	172.7	-177.4	178.6	117.7	0	0	107.6	L56 D57	E37-L56 HydrophobicContact CG-CD1 3.69Å; E37-L56 HydrophobicContact CG-CG 4.25Å; E37-D57 WeakPolarHBondContact CA-O 3.35Å
38	D	82.9	Confident	81.4	Confident	76 Å²	76	87.1 Å²	87.1	41%	0.406	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	139.4	177.2	-80.7	-48.9	0	0	0	111.3	T35 Y40 D57	T35-D38 HydrophobicContact CG2-CB 4.33Å; D38-Y40 HydrophobicContact CB-CD2 4.34Å; D38-Y40 HydrophobicContact CB-CE2 3.5Å; D38-D57 PolarHBondContact N-O 2.99Å; D38-D57 VanDerWaalsContact N-O 3.08Å; D38-D57 PolarHBondContact O-N 3.22Å
39	S	87.8	Confident	82.1	Confident	74 Å²	74	88 Å²	88	52%	0.517	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	127.9	176	172.6	0	0	0	0	110.3	D54 I55	S39-D54 PolarHBondContact OG-OD1 2.85Å; S39-I55 WeakPolarHBondContact CA-O 3.26Å
40	Y	91.9	Very high	83.2	Confident	46 Å²	46	87.9 Å²	87.9	18%	0.18	46%	0.46	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	142.2	179.9	-59.1	-89	0	0	0	111	T20 I24 D38 I55 D57	T20-Y40 HydrophobicContact CG2-CD2 3.35Å; T20-Y40 HydrophobicContact CG2-CE2 3.83Å; T20-Y40 HydrophobicContact CG2-CG 3.86Å; I24-Y40 HydrophobicContact CG1-CD1 4.39Å; I24-Y40 HydrophobicContact CG1-CG 4.26Å; D38-Y40 HydrophobicContact CB-CD2 4.34Å; D38-Y40 HydrophobicContact CB-CE2 3.5Å; Y40-I55 PolarHBondContact N-O 2.85Å; Y40-I55 PolarHBondContact O-N 3.48Å; Y40-D57 HydrophobicContact CE2-CB 4.13Å
41	R	94.6	Very high	84.5	Confident	151 Å²	151	81.4 Å²	81.4	57%	0.57	43%	0.426	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.6	133.6	178	-67.9	-178.5	174	-160.2	-13	111.6	E3 L52 L53 D54	E3-R41 IonicContact OE1-CZ 2.62Å; E3-R41 IonicContact OE1-NH2 3.38Å; R41-L52 HydrophobicContact CB-CD1 4.32Å; R41-L53 VanDerWaalsContact CA-O 3.26Å; R41-L53 WeakPolarHBondContact CA-O 3.38Å; R41-D54 HydrophobicContact CG-CB 4.49Å; R41-D54 IonicContact CZ-OD2 3.26Å; R41-D54 IonicContact NE-OD1 2.73Å; R41-D54 PolarHBondContact NE-OD1 3.38Å; R41-D54 IonicContact NE-OD2 3.86Å; R41-D54 IonicContact NH2-OD1 3.58Å; R41-D54 IonicContact NH2-OD2 3.24Å; R41-D54 PolarHBondContact NH2-OD2 3.27Å
42	K	94.6	Very high	85.9	Confident	45 Å²	45	75.2 Å²	75.2	20%	0.196	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	128.5	174.6	-175.9	178.7	-176.8	-180	0	111.6	L23 I24 V44 L53	L23-K42 PolarHBondContact O-NZ 3.26Å; I24-K42 HydrophobicContact CD1-CB 3.45Å; I24-K42 VanDerWaalsContact CD1-CB 3.45Å; I24-K42 HydrophobicContact CD1-CD 4.16Å; I24-K42 HydrophobicContact CD1-CG 4.38Å; K42-V44 HydrophobicContact CD-CG1 3.9Å; K42-V44 HydrophobicContact CG-CG1 3.81Å; K42-L53 PolarHBondContact N-O 3.18Å; K42-L53 PolarHBondContact O-N 3.26Å
43	Q	96.9	Very high	87.7	Confident	121 Å²	121	68.6 Å²	68.6	57%	0.565	37%	0.372	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.3	129.2	169.1	-175	-179.7	-18.3	0	0	109.4	M1 T50 C51	M1-Q43 HydrophobicContact CE-CG 3.88Å; M1-Q43 HydrophobicContact SD-CG 4Å; Q43-T50 HydrophobicContact CG-CG2 3.86Å; Q43-T50 VanDerWaalsContact NE2-CG2 3.3Å; Q43-C51 WeakPolarHBondContact CA-O 3.42Å
44	V	96.5	Very high	89.3	Confident	11 Å²	11	63 Å²	63	7%	0.067	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	164.9	-179.1	-62.6	0	0	0	0	110.5	K42 I46 T50 C51 L53 Y157	K42-V44 HydrophobicContact CD-CG1 3.9Å; K42-V44 HydrophobicContact CG-CG1 3.81Å; V44-I46 HydrophobicContact CG2-CD1 3.73Å; V44-I46 HydrophobicContact CG2-CG1 3.77Å; V44-T50 WeakPolarHBondContact O-CA 3.45Å; V44-C51 PolarHBondContact N-O 3.22Å; V44-C51 PolarHBondContact O-N 3.46Å; V44-L53 HydrophobicContact CG1-CD1 4.32Å; V44-L53 HydrophobicContact CG2-CD1 3.85Å; V44-L53 HydrophobicContact CG2-CD2 4.06Å; V44-L53 HydrophobicContact CG2-CG 3.73Å; V44-Y157 HydrophobicContact CB-CE1 4.38Å; V44-Y157 HydrophobicContact CG1-CE1 4.4Å; V44-Y157 HydrophobicContact CG2-CE1 4.24Å
45	V	97	Very high	90.8	Very high	89 Å²	89	59.6 Å²	59.6	54%	0.539	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	115	171	-177.9	0	0	0	0	108.1	E49	V45-E49 WeakPolarHBondContact CA-O 3.35Å
46	I	96.7	Very high	92.2	Very high	1 Å²	1	59.7 Å²	59.7	1%	0.005	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	114.4	-179.6	-58.1	172.6	0	0	0	108.5	V44 G48 E49 L53 Y157 V160 R164	V44-I46 HydrophobicContact CG2-CD1 3.73Å; V44-I46 HydrophobicContact CG2-CG1 3.77Å; I46-G48 VanDerWaalsContact C-N 3.28Å; I46-G48 PolarHBondContact O-N 2.9Å; I46-E49 PolarHBondContact N-O 3.11Å; I46-E49 PolarHBondContact O-N 2.79Å; I46-L53 HydrophobicContact CD1-CD2 4.18Å; I46-Y157 HydrophobicContact CD1-CD1 3.39Å; I46-Y157 HydrophobicContact CD1-CE1 3.83Å; I46-Y157 HydrophobicContact CD1-CG 3.9Å; I46-Y157 HydrophobicContact CG1-CD1 3.7Å; I46-Y157 HydrophobicContact CG1-CD2 4.19Å; I46-Y157 HydrophobicContact CG1-CE1 3.88Å; I46-Y157 HydrophobicContact CG1-CE2 4.34Å; I46-Y157 HydrophobicContact CG1-CG 3.87Å; I46-Y157 HydrophobicContact CG2-CG 4.34Å; I46-V160 HydrophobicContact CD1-CB 3.89Å; I46-V160 HydrophobicContact CD1-CG1 3.92Å; I46-V160 HydrophobicContact CD1-CG2 3.73Å; I46-V160 HydrophobicContact CG2-CG1 4.48Å; I46-R164 PolarHBondContact O-NH1 3.46Å; I46-R164 PolarHBondContact O-NH2 3.38Å; I46-R164 VanDerWaalsContact O-NH2 3.15Å
47	D	95.8	Very high	93.3	Very high	102 Å²	102	52.4 Å²	52.4	55%	0.545	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.2	39.7	-178	-48.4	-38.6	0	0	0	112.6	E49 R161 R164	D47-E49 VanDerWaalsContact C-N 3.28Å; D47-E49 PolarHBondContact O-N 3.29Å; D47-R161 IonicContact OD1-CZ 2.77Å; D47-R161 IonicContact OD1-NE 3.73Å; D47-R161 PolarHBondContact OD1-NE 3.25Å; D47-R161 IonicContact OD1-NH2 2.61Å; D47-R161 PolarHBondContact OD1-NH2 3.11Å; D47-R161 IonicContact OD2-CZ 2.74Å; D47-R161 IonicContact OD2-NE 3.49Å; D47-R161 PolarHBondContact OD2-NE 3.02Å; D47-R161 IonicContact OD2-NH2 2.86Å; D47-R164 IonicContact OD2-NH1 3.73Å; D47-R164 PolarHBondContact OD2-NH1 3.46Å
48	G	94.9	Very high	94	Very high	72 Å²	72	48 Å²	48	74%	0.742	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.6	-8.8	179.7	0	0	0	0	0	115.4	I46	I46-G48 VanDerWaalsContact C-N 3.28Å; I46-G48 PolarHBondContact O-N 2.9Å
49	E	95.8	Very high	93.6	Very high	73 Å²	73	45.7 Å²	45.7	34%	0.341	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	129.9	175.8	-172.4	-167.8	168.8	0	0	110.8	T2 V45 I46 D47 R164	T2-E49 WeakPolarHBondContact CB-OE1 3.32Å; T2-E49 PolarHBondContact OG1-OE1 3.36Å; V45-E49 WeakPolarHBondContact CA-O 3.35Å; I46-E49 PolarHBondContact N-O 3.11Å; I46-E49 PolarHBondContact O-N 2.79Å; D47-E49 VanDerWaalsContact C-N 3.28Å; D47-E49 PolarHBondContact O-N 3.29Å; E49-R164 IonicContact OE2-CZ 3.34Å; E49-R164 IonicContact OE2-NE 3.32Å; E49-R164 PolarHBondContact OE2-NE 2.96Å; E49-R164 IonicContact OE2-NH2 3.51Å; E49-R164 PolarHBondContact OE2-NH2 3.03Å
50	T	97	Very high	92.4	Very high	57 Å²	57	43 Å²	43	35%	0.35	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	124	173.7	-53.1	0	0	0	0	110.6	M1 Q43 V44	M1-T50 HydrophobicContact CE-CG2 3.76Å; Q43-T50 HydrophobicContact CG-CG2 3.86Å; Q43-T50 VanDerWaalsContact NE2-CG2 3.3Å; V44-T50 WeakPolarHBondContact O-CA 3.45Å
51	C	97.1	Very high	90.9	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	160.4	179.6	61.4	0	0	0	0	112.4	T2 Y4 Q43 V44	T2-C51 CarbonylContact O-C 3.53Å; T2-C51 WeakPolarHBondContact O-CA 3.49Å; T2-C51 VanDerWaalsContact O-CB 3.24Å; T2-C51 WeakPolarHBondContact O-CB 3.37Å; Y4-C51 HydrophobicContact CD2-CB 3.77Å; Y4-C51 HydrophobicContact CE2-CB 3.57Å; Q43-C51 WeakPolarHBondContact CA-O 3.42Å; V44-C51 PolarHBondContact N-O 3.22Å; V44-C51 PolarHBondContact O-N 3.46Å
52	L	97.8	Very high	89.2	Confident	42 Å²	42	45.1 Å²	45.1	22%	0.22	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	123.8	172.5	-175.3	66.7	0	0	0	109	M1 T2 E3 Y4 R41	M1-L52 HydrophobicContact SD-CB 4.11Å; T2-L52 PolarHBondContact O-N 3.04Å; E3-L52 CarbonylContact C-O 3.52Å; E3-L52 WeakPolarHBondContact CA-O 3.4Å; E3-L52 HydrophobicContact CG-CB 4.46Å; E3-L52 HydrophobicContact CG-CD2 4.3Å; Y4-L52 PolarHBondContact N-O 3.34Å; R41-L52 HydrophobicContact CB-CD1 4.32Å
53	L	97.8	Very high	87.3	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	124.6	168.2	-50.9	-175.2	0	0	0	108.2	Y4 L6 L23 R41 K42 V44 I46 I55 Y157 V160	Y4-L53 HydrophobicContact CD2-CD2 4.42Å; L6-L53 HydrophobicContact CD1-CD1 4.45Å; L6-L53 HydrophobicContact CD1-CD2 4.22Å; L23-L53 HydrophobicContact CD2-CD1 4.17Å; R41-L53 VanDerWaalsContact CA-O 3.26Å; R41-L53 WeakPolarHBondContact CA-O 3.38Å; K42-L53 PolarHBondContact N-O 3.18Å; K42-L53 PolarHBondContact O-N 3.26Å; V44-L53 HydrophobicContact CG1-CD1 4.32Å; V44-L53 HydrophobicContact CG2-CD1 3.85Å; V44-L53 HydrophobicContact CG2-CD2 4.06Å; V44-L53 HydrophobicContact CG2-CG 3.73Å; I46-L53 HydrophobicContact CD1-CD2 4.18Å; L53-I55 HydrophobicContact CB-CD1 4.15Å; L53-I55 HydrophobicContact CB-CG1 3.97Å; L53-I55 HydrophobicContact CD1-CD1 4.41Å; L53-Y157 HydrophobicContact CD1-CE1 4.44Å; L53-V160 HydrophobicContact CD2-CG2 3.67Å
54	D	96.9	Very high	85.5	Confident	21 Å²	21	52.2 Å²	52.2	11%	0.112	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	100.1	169.3	-166.7	10.5	0	0	0	107.2	E3 Y4 K5 L6 S39 R41	E3-D54 HydrophobicContact CG-CB 4.35Å; Y4-D54 PolarHBondContact O-N 2.92Å; K5-D54 CarbonylContact C-O 3.6Å; K5-D54 WeakPolarHBondContact CA-O 3.05Å; K5-D54 HydrophobicContact CG-CB 4.33Å; L6-D54 PolarHBondContact N-O 2.94Å; S39-D54 PolarHBondContact OG-OD1 2.85Å; R41-D54 HydrophobicContact CG-CB 4.49Å; R41-D54 IonicContact CZ-OD2 3.26Å; R41-D54 IonicContact NE-OD1 2.73Å; R41-D54 PolarHBondContact NE-OD1 3.38Å; R41-D54 IonicContact NE-OD2 3.86Å; R41-D54 IonicContact NH2-OD1 3.58Å; R41-D54 IonicContact NH2-OD2 3.24Å; R41-D54 PolarHBondContact NH2-OD2 3.27Å
55	I	96.3	Very high	83.9	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	121.7	-168.5	-52.8	175.9	0	0	0	108.7	L6 V8 T20 L23 I24 S39 Y40 L53 F156	L6-I55 HydrophobicContact CB-CG1 4.39Å; L6-I55 HydrophobicContact CD1-CG1 4.41Å; L6-I55 WeakPolarHBondContact O-CA 3.33Å; V8-I55 HydrophobicContact CG2-CG2 3.88Å; T20-I55 HydrophobicContact CG2-CB 4.36Å; T20-I55 HydrophobicContact CG2-CG2 3.81Å; L23-I55 HydrophobicContact CD2-CD1 3.44Å; L23-I55 VanDerWaalsContact CD2-CD1 3.44Å; I24-I55 HydrophobicContact CD1-CD1 4.23Å; S39-I55 WeakPolarHBondContact CA-O 3.26Å; Y40-I55 PolarHBondContact N-O 2.85Å; Y40-I55 PolarHBondContact O-N 3.48Å; L53-I55 HydrophobicContact CB-CD1 4.15Å; L53-I55 HydrophobicContact CB-CG1 3.97Å; L53-I55 HydrophobicContact CD1-CD1 4.41Å; I55-F156 HydrophobicContact CD1-CD1 3.95Å; I55-F156 HydrophobicContact CD1-CE1 3.85Å; I55-F156 HydrophobicContact CG2-CE1 3.99Å
56	L	93.6	Very high	82.2	Confident	25 Å²	25	55.4 Å²	55.4	13%	0.131	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	117.6	170.9	-167.5	74.4	0	0	0	110.2	L6 V7 V8 E37 T58 Y71	L6-L56 PolarHBondContact O-N 3.36Å; V7-L56 HydrophobicContact CG1-CD2 4.47Å; V7-L56 HydrophobicContact CG2-CB 4.36Å; V8-L56 PolarHBondContact N-O 3.05Å; E37-L56 HydrophobicContact CG-CD1 3.69Å; E37-L56 HydrophobicContact CG-CG 4.25Å; L56-T58 HydrophobicContact CD2-CG2 4.24Å; L56-T58 HydrophobicContact CG-CG2 4.42Å; L56-Y71 HydrophobicContact CD2-CD1 4.03Å; L56-Y71 HydrophobicContact CD2-CG 3.72Å
57	D	88.9	Confident	80.7	Confident	0 Å²	0	61.2 Å²	61.2	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	121.4	169.5	-175.3	40	0	0	0	109.6	K16 S17 E37 D38 Y40	K16-D57 VanDerWaalsContact CB-OD1 3.25Å; K16-D57 WeakPolarHBondContact CB-OD1 3.45Å; S17-D57 WeakPolarHBondContact CA-OD2 3.35Å; S17-D57 WeakPolarHBondContact CB-OD2 3.45Å; S17-D57 PolarHBondContact N-OD1 3.49Å; S17-D57 PolarHBondContact OG-OD2 2.91Å; E37-D57 WeakPolarHBondContact CA-O 3.35Å; D38-D57 PolarHBondContact N-O 2.99Å; D38-D57 VanDerWaalsContact N-O 3.08Å; D38-D57 PolarHBondContact O-N 3.22Å; Y40-D57 HydrophobicContact CE2-CB 4.13Å
58	T	83.2	Confident	79.6	Confident	3 Å²	3	57.7 Å²	57.7	2%	0.018	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	144	-174.1	72.9	0	0	0	0	111.4	V7 V8 K16 L56 G60 Y71	V7-T58 HydrophobicContact CG1-CG2 3.84Å; V8-T58 PolarHBondContact O-OG1 3.33Å; V8-T58 VanDerWaalsContact O-OG1 3.04Å; K16-T58 WeakPolarHBondContact CE-O 3.45Å; L56-T58 HydrophobicContact CD2-CG2 4.24Å; L56-T58 HydrophobicContact CG-CG2 4.42Å; T58-G60 PolarHBondContact O-N 3.18Å; T58-Y71 HydrophobicContact CG2-CD1 4.17Å; T58-Y71 HydrophobicContact CG2-CD2 4.19Å; T58-Y71 HydrophobicContact CG2-CE1 3.84Å; T58-Y71 HydrophobicContact CG2-CE2 3.95Å; T58-Y71 HydrophobicContact CG2-CG 4.33Å
59	A	74.7	Confident	78.9	Confident	27 Å²	27	56.9 Å²	56.9	22%	0.223	30%	0.3	C	S	.	.	P	Polyproline II helix	trans	-52.3	135	162.4	0	0	0	0	0	110.5	T35 I36 Q61	T35-A59 WeakPolarHBondContact O-CA 3.47Å; T35-A59 WeakPolarHBondContact O-CB 3.46Å; I36-A59 WeakPolarHBondContact O-CB 3.47Å; I36-A59 PolarHBondContact O-N 3.44Å; I36-A59 VanDerWaalsContact O-N 3.07Å; A59-Q61 PolarHBondContact O-N 3.41Å
60	G	62.3	Low	78.3	Confident	16 Å²	16	59.9 Å²	59.9	17%	0.165	32%	0.315	C	S	.	.			trans	-79.7	10.3	171	0	0	0	0	0	113.7	G12 K16 T58	G12-G60 PolarHBondContact N-O 3.26Å; K16-G60 VanDerWaalsContact NZ-CA 3.32Å; T58-G60 PolarHBondContact O-N 3.18Å
61	Q	61.4	Low	77.6	Confident	116 Å²	116	58 Å²	58	54%	0.542	30%	0.301	S	S	.	.			trans	-95	139.2	-175.9	-74.1	-177.3	-13.6	0	0	111.4	A59 E63	A59-Q61 PolarHBondContact O-N 3.41Å; Q61-E63 PolarHBondContact O-N 3.43Å
62	E	58.1	Low	77.2	Confident	126 Å²	126	58 Å²	58	59%	0.589	30%	0.301	S	S	*	.			trans	-81.3	3.3	-167.9	-66.1	-175.1	157.9	0	0	114.5	Y64 R68	E62-Y64 PolarHBondContact O-N 3.41Å; E62-R68 PolarHBondContact O-NH2 3.24Å
63	E	54.8	Low	76.8	Confident	140 Å²	140	63.9 Å²	63.9	65%	0.654	32%	0.321	S	S	*	.	S	Bend	trans	-82.5	-8.1	-154.6	-71	157.5	-158.9	0	0	115	Q61	Q61-E63 PolarHBondContact O-N 3.43Å
64	Y	59.1	Low	76.5	Confident	175 Å²	175	67.7 Å²	67.7	69%	0.686	34%	0.344	S	S	*	.			trans	-138	100.4	178.3	-66.2	-80.8	0	0	0	113.7	E62 R68	E62-Y64 PolarHBondContact O-N 3.41Å; Y64-R68 WeakPolarHBondContact O-CG 3.44Å
65	S	61.7	Low	76.4	Confident	88 Å²	88	66.8 Å²	66.8	62%	0.615	34%	0.339	S	S	*	.	H	α-helix	trans	-69.9	-37.6	-177.6	54.6	0	0	0	0	114.4	M67 R68 D69	S65-M67 PolarHBondContact O-N 2.83Å; S65-R68 PolarHBondContact O-N 2.86Å; S65-D69 PolarHBondContact O-N 3.21Å
66	A	62.5	Low	76.4	Confident	80 Å²	80	69.6 Å²	69.6	66%	0.661	35%	0.352	S	S	*	.	H	α-helix	trans	-67.7	-35.9	-174.7	0	0	0	0	0	113.8	R68	A66-R68 VanDerWaalsContact C-N 3.3Å
67	M	65.6	Low	76.6	Confident	123 Å²	123	68.4 Å²	68.4	61%	0.606	35%	0.346	S	S	*	.	H	α-helix	trans	-70	-29.2	176	-74	-178.7	151.6	0	0	111.9	S65 Q70 Y71	S65-M67 PolarHBondContact O-N 2.83Å; M67-Q70 WeakPolarHBondContact O-CB 3.21Å; M67-Q70 PolarHBondContact O-N 3.05Å; M67-Y71 WeakPolarHBondContact O-CD1 3.38Å
68	R	71.6	Confident	77.1	Confident	28 Å²	28	68.4 Å²	68.4	11%	0.106	35%	0.346	C	S	.	.	H	α-helix	trans	-65.7	-43.1	177.7	-58.6	-162	-122.2	179.5	8.8	113.7	E62 Y64 S65 A66 Q70 Y71 M72	E62-R68 PolarHBondContact O-NH2 3.24Å; Y64-R68 WeakPolarHBondContact O-CG 3.44Å; S65-R68 PolarHBondContact O-N 2.86Å; A66-R68 VanDerWaalsContact C-N 3.3Å; R68-Q70 PolarHBondContact O-N 3.38Å; R68-Y71 VanDerWaalsContact CA-CE1 3.42Å; R68-Y71 VanDerWaalsContact CA-CZ 3.44Å; R68-Y71 HydrophobicContact CB-CE1 4.06Å; R68-Y71 HydrophobicContact CB-CE2 4.2Å; R68-Y71 WeakPolarHBondContact CB-OH 3.49Å; R68-Y71 VanDerWaalsContact CD-OH 3.27Å; R68-Y71 WeakPolarHBondContact CD-OH 2.84Å; R68-Y71 HydrophobicContact CG-CE1 4Å; R68-Y71 WeakPolarHBondContact CG-OH 3.47Å; R68-Y71 VanDerWaalsContact O-CD2 3.32Å; R68-Y71 WeakPolarHBondContact O-CD2 3.27Å; R68-Y71 WeakPolarHBondContact O-CE2 3.3Å; R68-Y71 PolarHBondContact O-N 3.09Å; R68-M72 HydrophobicContact CB-CE 4.37Å; R68-M72 WeakPolarHBondContact O-CB 3.26Å; R68-M72 VanDerWaalsContact O-CG 3.32Å; R68-M72 WeakPolarHBondContact O-CG 3.49Å; R68-M72 PolarHBondContact O-N 3.43Å
69	D	81.4	Confident	77.8	Confident	54 Å²	54	68.3 Å²	68.3	29%	0.289	35%	0.345	S	S	.	.	H	α-helix	trans	-62	-28.8	179.8	-74.8	4.5	0	0	0	111.5	S65 R73 V103	S65-D69 PolarHBondContact O-N 3.21Å; D69-R73 WeakPolarHBondContact O-CB 3.45Å; D69-R73 PolarHBondContact O-N 3.25Å; D69-V103 HydrophobicContact CB-CG2 4.32Å; D69-V103 WeakPolarHBondContact O-CG1 3.29Å; D69-V103 WeakPolarHBondContact OD1-CG2 3.45Å
70	Q	82.4	Confident	78.9	Confident	137 Å²	137	67.1 Å²	67.1	64%	0.64	34%	0.335	S	S	*	.	H	α-helix	trans	-66.9	-53.8	178.8	-177.2	174.3	-32.1	0	0	111.9	M67 R68 M72 R73 T74	M67-Q70 WeakPolarHBondContact O-CB 3.21Å; M67-Q70 PolarHBondContact O-N 3.05Å; R68-Q70 PolarHBondContact O-N 3.38Å; Q70-M72 VanDerWaalsContact C-N 3.34Å; Q70-M72 PolarHBondContact O-N 3.28Å; Q70-R73 WeakPolarHBondContact O-CB 3.11Å; Q70-R73 PolarHBondContact O-N 3.22Å; Q70-T74 PolarHBondContact O-N 3.3Å; Q70-T74 VanDerWaalsContact O-N 3.12Å; Q70-T74 PolarHBondContact O-OG1 2.97Å
71	Y	83.1	Confident	80.6	Confident	17 Å²	17	66.3 Å²	66.3	7%	0.067	33%	0.327	C	S	.	.	H	α-helix	trans	-70.2	-31.8	-179.7	59.1	-117.8	0	0	0	112.9	V7 V9 L56 T58 M67 R68 R73 T74 G75	V7-Y71 HydrophobicContact CG1-CD2 3.86Å; V7-Y71 HydrophobicContact CG1-CE2 4.33Å; V9-Y71 HydrophobicContact CG1-CE2 4.47Å; L56-Y71 HydrophobicContact CD2-CD1 4.03Å; L56-Y71 HydrophobicContact CD2-CG 3.72Å; T58-Y71 HydrophobicContact CG2-CD1 4.17Å; T58-Y71 HydrophobicContact CG2-CD2 4.19Å; T58-Y71 HydrophobicContact CG2-CE1 3.84Å; T58-Y71 HydrophobicContact CG2-CE2 3.95Å; T58-Y71 HydrophobicContact CG2-CG 4.33Å; M67-Y71 WeakPolarHBondContact O-CD1 3.38Å; R68-Y71 VanDerWaalsContact CA-CE1 3.42Å; R68-Y71 VanDerWaalsContact CA-CZ 3.44Å; R68-Y71 HydrophobicContact CB-CE1 4.06Å; R68-Y71 HydrophobicContact CB-CE2 4.2Å; R68-Y71 WeakPolarHBondContact CB-OH 3.49Å; R68-Y71 VanDerWaalsContact CD-OH 3.27Å; R68-Y71 WeakPolarHBondContact CD-OH 2.84Å; R68-Y71 HydrophobicContact CG-CE1 4Å; R68-Y71 WeakPolarHBondContact CG-OH 3.47Å; R68-Y71 VanDerWaalsContact O-CD2 3.32Å; R68-Y71 WeakPolarHBondContact O-CD2 3.27Å; R68-Y71 WeakPolarHBondContact O-CE2 3.3Å; R68-Y71 PolarHBondContact O-N 3.09Å; Y71-R73 PolarHBondContact O-N 2.96Å; Y71-T74 PolarHBondContact O-N 2.96Å; Y71-T74 PolarHBondContact O-OG1 3.07Å; Y71-G75 PolarHBondContact O-N 2.73Å
72	M	87.4	Confident	82.3	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-65.7	-33.2	173.7	-70.9	-175.7	-172.8	0	0	110.9	R68 Q70 F78 Q99 I100 V103 K104	R68-M72 HydrophobicContact CB-CE 4.37Å; R68-M72 WeakPolarHBondContact O-CB 3.26Å; R68-M72 VanDerWaalsContact O-CG 3.32Å; R68-M72 WeakPolarHBondContact O-CG 3.49Å; R68-M72 PolarHBondContact O-N 3.43Å; Q70-M72 VanDerWaalsContact C-N 3.34Å; Q70-M72 PolarHBondContact O-N 3.28Å; M72-F78 HydrophobicContact CB-CE1 4.41Å; M72-F78 HydrophobicContact CG-CE1 4.26Å; M72-F78 WeakPolarHBondContact O-CZ 3.01Å; M72-Q99 HydrophobicContact CE-CB 4.07Å; M72-Q99 HydrophobicContact SD-CB 4.05Å; M72-I100 HydrophobicContact CE-CG1 4.41Å; M72-I100 HydrophobicContact CG-CG1 4.41Å; M72-I100 HydrophobicContact SD-CG1 4.18Å; M72-V103 HydrophobicContact CB-CB 3.9Å; M72-V103 HydrophobicContact CB-CG1 3.64Å; M72-V103 HydrophobicContact CB-CG2 4.23Å; M72-V103 HydrophobicContact SD-CB 4.5Å; M72-V103 HydrophobicContact SD-CG2 4.06Å; M72-K104 WeakPolarHBondContact O-CD 3.34Å; M72-K104 WeakPolarHBondContact O-CE 3.32Å; M72-K104 PolarHBondContact O-NZ 3.41Å
73	R	90.7	Very high	84.2	Confident	166 Å²	166	54.9 Å²	54.9	63%	0.626	27%	0.274	S	S	*	.	H	α-helix	trans	-72.1	-37	176.7	-166.5	179.5	-55.4	-119.3	-2.4	112.5	D69 Q70 Y71 V103 K104	D69-R73 WeakPolarHBondContact O-CB 3.45Å; D69-R73 PolarHBondContact O-N 3.25Å; Q70-R73 WeakPolarHBondContact O-CB 3.11Å; Q70-R73 PolarHBondContact O-N 3.22Å; Y71-R73 PolarHBondContact O-N 2.96Å; R73-V103 HydrophobicContact CB-CG1 4.06Å; R73-K104 VanDerWaalsContact C-NZ 3.3Å; R73-K104 PolarHBondContact O-NZ 2.93Å
74	T	90.1	Very high	86.3	Confident	80 Å²	80	48.2 Å²	48.2	49%	0.491	24%	0.243	S	C	.	.	H	α-helix	trans	-87.4	-27.1	-177.8	57.8	0	0	0	0	114.4	Q70 Y71	Q70-T74 PolarHBondContact O-N 3.3Å; Q70-T74 VanDerWaalsContact O-N 3.12Å; Q70-T74 PolarHBondContact O-OG1 2.97Å; Y71-T74 PolarHBondContact O-N 2.96Å; Y71-T74 PolarHBondContact O-OG1 3.07Å
75	G	94.8	Very high	88.1	Confident	1 Å²	1	42.3 Å²	42.3	1%	0.01	22%	0.223	C	C	.	.			trans	-66.9	132.8	-178.4	0	0	0	0	0	113.6	Y71 K104	Y71-G75 PolarHBondContact O-N 2.73Å; G75-K104 WeakPolarHBondContact O-CE 3.08Å; G75-K104 PolarHBondContact O-NZ 3.19Å
76	E	97.3	Very high	89.8	Confident	60 Å²	60	41 Å²	41	28%	0.28	21%	0.21	S	C	.	.	S	Bend	trans	-88.5	-25.7	-179	-65.2	-173.9	-95.6	0	0	113.3	K5 P110 I163 R167	K5-E76 HydrophobicContact CB-CG 4.17Å; K5-E76 PolarHBondContact N-OE1 3.42Å; K5-E76 PolarHBondContact O-N 2.77Å; E76-P110 WeakPolarHBondContact O-CG 3.42Å; E76-I163 HydrophobicContact CB-CD1 4.07Å; E76-I163 HydrophobicContact CB-CG1 4.48Å; E76-I163 HydrophobicContact CB-CG2 4.34Å; E76-R167 VanDerWaalsContact CD-NH2 3.29Å; E76-R167 IonicContact OE1-NH2 2.85Å; E76-R167 PolarHBondContact OE1-NH2 3.23Å; E76-R167 IonicContact OE2-CZ 3.36Å; E76-R167 IonicContact OE2-NE 3.7Å; E76-R167 PolarHBondContact OE2-NE 3.45Å; E76-R167 IonicContact OE2-NH2 3.48Å; E76-R167 PolarHBondContact OE2-NH2 2.98Å
77	G	97.9	Very high	91.4	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	157.7	172.9	0	0	0	0	0	112.1	K5 V7 P110	K5-G77 PolarHBondContact O-N 2.62Å; V7-G77 PolarHBondContact N-O 3.26Å; G77-P110 VanDerWaalsContact CA-O 3.26Å; G77-P110 WeakPolarHBondContact CA-O 3.4Å
78	F	98.1	Very high	92.9	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	127.9	-170.8	-58.5	-93.7	0	0	0	112.2	V7 V9 M72 I100 V109 P110 M111 V112	V7-F78 HydrophobicContact CB-CD1 3.75Å; V7-F78 HydrophobicContact CB-CE1 3.83Å; V7-F78 HydrophobicContact CG1-CD1 4.21Å; V7-F78 HydrophobicContact CG1-CE1 4.24Å; V7-F78 HydrophobicContact CG2-CD1 4.41Å; V7-F78 HydrophobicContact CG2-CE1 4.02Å; V7-F78 CarbonylContact O-C 3.59Å; V7-F78 WeakPolarHBondContact O-CA 3.42Å; V9-F78 HydrophobicContact CG1-CD1 4.4Å; M72-F78 HydrophobicContact CB-CE1 4.41Å; M72-F78 HydrophobicContact CG-CE1 4.26Å; M72-F78 WeakPolarHBondContact O-CZ 3.01Å; F78-I100 HydrophobicContact CB-CD1 3.71Å; F78-I100 HydrophobicContact CD1-CD1 3.66Å; F78-I100 HydrophobicContact CD1-CG1 3.84Å; F78-I100 HydrophobicContact CD1-CG2 4.34Å; F78-I100 HydrophobicContact CD2-CD1 4.31Å; F78-I100 HydrophobicContact CD2-CG2 3.61Å; F78-I100 HydrophobicContact CE1-CD1 4.42Å; F78-I100 HydrophobicContact CE1-CG1 4.11Å; F78-I100 HydrophobicContact CE1-CG2 4.32Å; F78-I100 HydrophobicContact CE2-CG2 3.6Å; F78-I100 HydrophobicContact CG-CD1 3.6Å; F78-I100 HydrophobicContact CG-CG1 4.08Å; F78-I100 HydrophobicContact CG-CG2 4.02Å; F78-I100 HydrophobicContact CZ-CG2 3.98Å; F78-V109 HydrophobicContact CD2-CG1 3.67Å; F78-V109 HydrophobicContact CE2-CG1 3.65Å; F78-P110 PolarHBondContact N-O 2.94Å; F78-M111 HydrophobicContact CB-CG 4.2Å; F78-M111 CarbonylContact O-C 3.56Å; F78-M111 WeakPolarHBondContact O-CA 3.24Å; F78-V112 PolarHBondContact O-N 2.97Å
79	L	98.2	Very high	94.1	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	115.3	163.9	-72.6	172.1	0	0	0	108.5	V7 V8 V9 V81 V112 V114 A155 F156 L159	V7-L79 PolarHBondContact O-N 3.31Å; V8-L79 HydrophobicContact CG1-CB 4.27Å; V8-L79 HydrophobicContact CG2-CD1 4.26Å; V9-L79 WeakPolarHBondContact CG2-O 3.48Å; V9-L79 PolarHBondContact N-O 3.38Å; V9-L79 VanDerWaalsContact O-O 3.1Å; L79-V81 HydrophobicContact CB-CG2 4.2Å; L79-V112 HydrophobicContact CD2-CB 3.86Å; L79-V112 HydrophobicContact CD2-CG1 4.12Å; L79-V114 HydrophobicContact CB-CG2 4.48Å; L79-V114 HydrophobicContact CD2-CG2 3.64Å; L79-A155 HydrophobicContact CD2-CB 4.3Å; L79-F156 HydrophobicContact CD1-CD1 3.45Å; L79-F156 VanDerWaalsContact CD1-CD1 3.45Å; L79-F156 HydrophobicContact CD1-CD2 4.19Å; L79-F156 HydrophobicContact CD1-CE1 3.32Å; L79-F156 HydrophobicContact CD1-CE2 4.09Å; L79-F156 HydrophobicContact CD1-CG 3.9Å; L79-F156 HydrophobicContact CD1-CZ 3.66Å; L79-L159 HydrophobicContact CD2-CB 4.31Å; L79-L159 HydrophobicContact CD2-CD2 4.21Å; L79-L159 HydrophobicContact CG-CD2 3.81Å
80	C	97.7	Very high	94.9	Very high	2 Å²	2	37.4 Å²	37.4	1%	0.014	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	98.2	176.6	-65	0	0	0	0	108.7	I93 V112 L113 V114	C80-I93 HydrophobicContact CB-CD1 4.18Å; C80-I93 HydrophobicContact CB-CG2 4.43Å; C80-V112 PolarHBondContact N-O 3.4Å; C80-L113 HydrophobicContact CB-CD1 4.37Å; C80-V114 PolarHBondContact O-N 3.26Å
81	V	98.1	Very high	95.5	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	127.2	-170.3	-169.1	0	0	0	0	111.2	V8 V9 G10 V14 K16 L19 L79 V114 N116	V8-V81 HydrophobicContact CG1-CG2 3.58Å; V9-V81 PolarHBondContact O-N 2.61Å; G10-V81 WeakPolarHBondContact CA-O 3.23Å; V14-V81 HydrophobicContact CB-CG1 4.35Å; V14-V81 HydrophobicContact CG2-CB 4.05Å; V14-V81 HydrophobicContact CG2-CG1 3.85Å; K16-V81 HydrophobicContact CG-CB 4.29Å; K16-V81 HydrophobicContact CG-CG2 4.47Å; L19-V81 HydrophobicContact CD1-CG1 3.89Å; L19-V81 HydrophobicContact CD1-CG2 4.21Å; L79-V81 HydrophobicContact CB-CG2 4.2Å; V81-V114 WeakPolarHBondContact CA-O 3.37Å; V81-V114 HydrophobicContact CB-CB 4.5Å; V81-V114 HydrophobicContact CG1-CB 4.43Å; V81-V114 HydrophobicContact CG1-CG1 4.32Å; V81-V114 HydrophobicContact CG2-CB 4.16Å; V81-N116 HydrophobicContact CG1-CB 3.98Å
82	F	98.3	Very high	96.1	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	167.5	164.8	72.9	-82.7	0	0	0	109.7	I84 S89 F90 I93 L113 V114 G115 N116 V125 A130 F141	F82-I84 HydrophobicContact CE2-CG2 4.19Å; F82-S89 WeakPolarHBondContact CB-O 3.4Å; F82-F90 HydrophobicContact CB-CB 4.36Å; F82-F90 AromaticContact CD1-CD2 3.89Å; F82-F90 HydrophobicContact CD1-CD2 3.89Å; F82-F90 HydrophobicContact CD2-CB 3.8Å; F82-F90 AromaticContact CD2-CD2 3.78Å; F82-F90 HydrophobicContact CD2-CD2 3.78Å; F82-F90 HydrophobicContact CD2-CG 4.23Å; F82-F90 AromaticContact CE1-CD2 3.8Å; F82-F90 HydrophobicContact CE1-CD2 3.8Å; F82-F90 HydrophobicContact CE1-CE2 4.14Å; F82-F90 HydrophobicContact CE2-CB 4.33Å; F82-F90 AromaticContact CE2-CD2 3.71Å; F82-F90 HydrophobicContact CE2-CD2 3.71Å; F82-F90 HydrophobicContact CE2-CE2 4.44Å; F82-F90 HydrophobicContact CE2-CG 4.35Å; F82-F90 HydrophobicContact CG-CB 4.14Å; F82-F90 AromaticContact CG-CD2 3.88Å; F82-F90 HydrophobicContact CG-CD2 3.88Å; F82-F90 AromaticContact CZ-CD2 3.72Å; F82-F90 HydrophobicContact CZ-CD2 3.72Å; F82-F90 HydrophobicContact CZ-CE2 4.07Å; F82-I93 HydrophobicContact CB-CD1 4.02Å; F82-I93 HydrophobicContact CB-CG1 4.05Å; F82-I93 HydrophobicContact CD1-CD1 4.49Å; F82-I93 HydrophobicContact CD1-CG1 4.27Å; F82-I93 HydrophobicContact CG-CG1 4.5Å; F82-L113 HydrophobicContact CD1-CD1 3.89Å; F82-L113 HydrophobicContact CD1-CG 4.37Å; F82-L113 HydrophobicContact CE1-CD1 3.98Å; F82-L113 HydrophobicContact CE1-CD2 4.24Å; F82-L113 HydrophobicContact CE1-CG 3.97Å; F82-V114 WeakPolarHBondContact CD1-O 3.16Å; F82-V114 PolarHBondContact N-O 3.11Å; F82-G115 VanDerWaalsContact CE1-CA 3.49Å; F82-N116 PolarHBondContact O-N 3.36Å; F82-V125 HydrophobicContact CE2-CB 4.07Å; F82-V125 HydrophobicContact CE2-CG1 3.81Å; F82-V125 HydrophobicContact CE2-CG2 4.39Å; F82-V125 HydrophobicContact CZ-CG1 4.34Å; F82-A130 HydrophobicContact CE1-CB 4.31Å; F82-A130 HydrophobicContact CZ-CB 3.75Å; F82-F141 AromaticContact CE1-CE2 3.9Å; F82-F141 HydrophobicContact CE1-CE2 3.9Å; F82-F141 AromaticContact CZ-CE2 3.97Å; F82-F141 HydrophobicContact CZ-CE2 3.97Å; F82-F141 HydrophobicContact CZ-CZ 4.4Å
83	A	97.9	Very high	96.5	Very high	1 Å²	1	37 Å²	37	1%	0.008	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	134	172.4	0	0	0	0	0	110.5	V14 N85 N86 S89 N116 K117	V14-A83 HydrophobicContact CB-CB 4.31Å; V14-A83 HydrophobicContact CG1-CB 4.4Å; A83-N85 WeakPolarHBondContact CB-OD1 3.36Å; A83-N85 PolarHBondContact O-N 2.92Å; A83-N85 VanDerWaalsContact O-N 3.08Å; A83-N86 HydrophobicContact CB-CB 4.24Å; A83-N86 PolarHBondContact O-N 3.06Å; A83-S89 PolarHBondContact N-OG 2.89Å; A83-S89 VanDerWaalsContact N-OG 3.08Å; A83-N116 WeakPolarHBondContact CA-O 3.47Å; A83-K117 HydrophobicContact CB-CD 4Å; A83-K117 HydrophobicContact CB-CG 4.25Å
84	I	98	Very high	96.8	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.005	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-16.8	-176.2	62.2	142.8	0	0	0	113.9	F82 N116 K117 C118 R123 T124 V125	F82-I84 HydrophobicContact CE2-CG2 4.19Å; I84-N116 WeakPolarHBondContact CG1-O 3.4Å; I84-N116 PolarHBondContact N-O 2.96Å; I84-K117 WeakPolarHBondContact CD1-O 3.46Å; I84-K117 VanDerWaalsContact CG1-O 3.29Å; I84-K117 WeakPolarHBondContact CG1-O 3.18Å; I84-C118 HydrophobicContact CD1-CB 4.49Å; I84-R123 HydrophobicContact CD1-CB 4.08Å; I84-R123 HydrophobicContact CD1-CG 4.2Å; I84-T124 PolarHBondContact O-N 2.64Å; I84-T124 PolarHBondContact O-OG1 3.28Å; I84-V125 PolarHBondContact O-N 2.94Å
85	N	97.5	Very high	96.9	Very high	51 Å²	51	34.4 Å²	34.4	27%	0.273	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.3	11.5	177	73.3	-33.9	0	0	0	113.2	A83 L120 S122 T124	A83-N85 WeakPolarHBondContact CB-OD1 3.36Å; A83-N85 PolarHBondContact O-N 2.92Å; A83-N85 VanDerWaalsContact O-N 3.08Å; N85-L120 WeakPolarHBondContact ND2-CD1 3.16Å; N85-S122 WeakPolarHBondContact CA-O 3.49Å; N85-S122 WeakPolarHBondContact CB-O 3.4Å; N85-T124 VanDerWaalsContact C-OG1 3.31Å
86	N	96.8	Very high	96.8	Very high	61 Å²	61	34.9 Å²	34.9	33%	0.326	17%	0.169	S	C	.	.			trans	-138.3	96.6	-179.8	-178.1	-14.8	0	0	0	110.6	A83 K88 S89 F90 T124	A83-N86 HydrophobicContact CB-CB 4.24Å; A83-N86 PolarHBondContact O-N 3.06Å; N86-K88 VanDerWaalsContact C-N 3.31Å; N86-K88 PolarHBondContact O-N 2.91Å; N86-K88 WeakPolarHBondContact OD1-CB 3.22Å; N86-K88 PolarHBondContact OD1-N 2.86Å; N86-K88 VanDerWaalsContact OD1-N 3.12Å; N86-S89 PolarHBondContact O-N 3.2Å; N86-S89 PolarHBondContact O-OG 3.47Å; N86-S89 PolarHBondContact OD1-N 3.01Å; N86-S89 VanDerWaalsContact OD1-N 3.09Å; N86-F90 PolarHBondContact O-N 3.24Å; N86-T124 PolarHBondContact N-OG1 3.13Å
87	T	97.3	Very high	96.7	Very high	59 Å²	59	33.5 Å²	33.5	36%	0.362	16%	0.161	S	C	.	.	H	α-helix	trans	-60.6	-37.9	180	-53.5	0	0	0	0	112.8	S89 F90 E91 T124	T87-S89 VanDerWaalsContact C-N 3.3Å; T87-S89 PolarHBondContact O-N 3.33Å; T87-F90 WeakPolarHBondContact O-CB 3.4Å; T87-F90 PolarHBondContact O-N 2.98Å; T87-E91 PolarHBondContact O-N 3Å; T87-E91 VanDerWaalsContact O-N 3.08Å; T87-T124 PolarHBondContact N-OG1 2.89Å; T87-T124 WeakPolarHBondContact OG1-CB 3.48Å; T87-T124 PolarHBondContact OG1-OG1 2.97Å
88	K	96.3	Very high	96.6	Very high	118 Å²	118	37 Å²	37	51%	0.513	18%	0.178	S	C	.	.	H	α-helix	trans	-60.6	-42.3	178.5	-179	54.9	178.4	144.2	0	111.4	N86 F90 E91 D92	N86-K88 VanDerWaalsContact C-N 3.31Å; N86-K88 PolarHBondContact O-N 2.91Å; N86-K88 WeakPolarHBondContact OD1-CB 3.22Å; N86-K88 PolarHBondContact OD1-N 2.86Å; N86-K88 VanDerWaalsContact OD1-N 3.12Å; K88-F90 PolarHBondContact O-N 2.86Å; K88-E91 PolarHBondContact O-N 3.16Å; K88-D92 WeakPolarHBondContact CE-OD1 3.47Å; K88-D92 IonicContact NZ-OD1 3.95Å; K88-D92 PolarHBondContact NZ-OD1 3.04Å; K88-D92 IonicContact NZ-OD2 3.88Å; K88-D92 PolarHBondContact O-N 2.95Å
89	S	96.4	Very high	96.3	Very high	1 Å²	1	38 Å²	38	1%	0.007	18%	0.182	C	C	.	.	H	α-helix	trans	-62.6	-28	176.7	75.1	0	0	0	0	113.7	F82 A83 N86 T87	F82-S89 WeakPolarHBondContact CB-O 3.4Å; A83-S89 PolarHBondContact N-OG 2.89Å; A83-S89 VanDerWaalsContact N-OG 3.08Å; N86-S89 PolarHBondContact O-N 3.2Å; N86-S89 PolarHBondContact O-OG 3.47Å; N86-S89 PolarHBondContact OD1-N 3.01Å; N86-S89 VanDerWaalsContact OD1-N 3.09Å; T87-S89 VanDerWaalsContact C-N 3.3Å; T87-S89 PolarHBondContact O-N 3.33Å
90	F	98.1	Very high	96.1	Very high	30 Å²	30	38 Å²	38	13%	0.132	18%	0.182	C	C	.	.	H	α-helix	trans	-76.2	-39.9	175.8	177.8	-109.5	0	0	0	111.9	F82 N86 T87 K88 D92 I93 V125 A130 L133	F82-F90 HydrophobicContact CB-CB 4.36Å; F82-F90 AromaticContact CD1-CD2 3.89Å; F82-F90 HydrophobicContact CD1-CD2 3.89Å; F82-F90 HydrophobicContact CD2-CB 3.8Å; F82-F90 AromaticContact CD2-CD2 3.78Å; F82-F90 HydrophobicContact CD2-CD2 3.78Å; F82-F90 HydrophobicContact CD2-CG 4.23Å; F82-F90 AromaticContact CE1-CD2 3.8Å; F82-F90 HydrophobicContact CE1-CD2 3.8Å; F82-F90 HydrophobicContact CE1-CE2 4.14Å; F82-F90 HydrophobicContact CE2-CB 4.33Å; F82-F90 AromaticContact CE2-CD2 3.71Å; F82-F90 HydrophobicContact CE2-CD2 3.71Å; F82-F90 HydrophobicContact CE2-CE2 4.44Å; F82-F90 HydrophobicContact CE2-CG 4.35Å; F82-F90 HydrophobicContact CG-CB 4.14Å; F82-F90 AromaticContact CG-CD2 3.88Å; F82-F90 HydrophobicContact CG-CD2 3.88Å; F82-F90 AromaticContact CZ-CD2 3.72Å; F82-F90 HydrophobicContact CZ-CD2 3.72Å; F82-F90 HydrophobicContact CZ-CE2 4.07Å; N86-F90 PolarHBondContact O-N 3.24Å; T87-F90 WeakPolarHBondContact O-CB 3.4Å; T87-F90 PolarHBondContact O-N 2.98Å; K88-F90 PolarHBondContact O-N 2.86Å; F90-D92 VanDerWaalsContact C-N 3.3Å; F90-D92 PolarHBondContact O-N 3.47Å; F90-I93 VanDerWaalsContact O-CB 3.31Å; F90-I93 WeakPolarHBondContact O-CB 3.43Å; F90-I93 WeakPolarHBondContact O-CG1 3.49Å; F90-I93 PolarHBondContact O-N 3.06Å; F90-V125 HydrophobicContact CB-CG1 4.33Å; F90-V125 HydrophobicContact CB-CG2 3.82Å; F90-V125 HydrophobicContact CD1-CG1 3.91Å; F90-V125 HydrophobicContact CD1-CG2 4.43Å; F90-V125 HydrophobicContact CD2-CG1 3.9Å; F90-V125 HydrophobicContact CE1-CG1 4.13Å; F90-V125 HydrophobicContact CE2-CG1 4.12Å; F90-V125 HydrophobicContact CG-CG1 3.78Å; F90-V125 HydrophobicContact CG-CG2 4.15Å; F90-V125 HydrophobicContact CZ-CG1 4.22Å; F90-A130 HydrophobicContact CE2-CB 3.9Å; F90-A130 HydrophobicContact CZ-CB 4.37Å; F90-L133 HydrophobicContact CD2-CD2 4.27Å; F90-L133 HydrophobicContact CE1-CD2 4.24Å; F90-L133 HydrophobicContact CE2-CB 4.36Å; F90-L133 HydrophobicContact CE2-CD2 3.48Å; F90-L133 VanDerWaalsContact CE2-CD2 3.48Å; F90-L133 HydrophobicContact CZ-CB 3.93Å; F90-L133 HydrophobicContact CZ-CD2 3.46Å; F90-L133 VanDerWaalsContact CZ-CD2 3.46Å; F90-L133 HydrophobicContact CZ-CG 4.3Å
91	E	96.2	Very high	96	Very high	113 Å²	113	38.5 Å²	38.5	53%	0.528	18%	0.184	S	C	.	.	H	α-helix	trans	-61.6	-39.8	173.7	-66.2	169.3	-179.8	0	0	111.6	T87 K88 I93 H94	T87-E91 PolarHBondContact O-N 3Å; T87-E91 VanDerWaalsContact O-N 3.08Å; K88-E91 PolarHBondContact O-N 3.16Å; E91-I93 PolarHBondContact O-N 3.15Å; E91-H94 PolarHBondContact O-N 3.33Å
92	D	95.1	Very high	95.8	Very high	31 Å²	31	46.1 Å²	46.1	17%	0.166	21%	0.213	C	C	.	.	H	α-helix	trans	-66.8	-17.3	-178.5	-65	-23.8	0	0	0	113.3	K88 F90 H94 H95 Y96	K88-D92 WeakPolarHBondContact CE-OD1 3.47Å; K88-D92 IonicContact NZ-OD1 3.95Å; K88-D92 PolarHBondContact NZ-OD1 3.04Å; K88-D92 IonicContact NZ-OD2 3.88Å; K88-D92 PolarHBondContact O-N 2.95Å; F90-D92 VanDerWaalsContact C-N 3.3Å; F90-D92 PolarHBondContact O-N 3.47Å; D92-H94 PolarHBondContact O-N 3.48Å; D92-H95 WeakPolarHBondContact O-CB 3.31Å; D92-H95 PolarHBondContact O-N 3.13Å; D92-Y96 HydrophobicContact CB-CD2 4.44Å; D92-Y96 HydrophobicContact CB-CE2 4.1Å; D92-Y96 WeakPolarHBondContact O-CD2 3.4Å; D92-Y96 PolarHBondContact O-N 3.06Å; D92-Y96 VanDerWaalsContact O-N 3.16Å
93	I	96.5	Very high	95.6	Very high	1 Å²	1	47.1 Å²	47.1	1%	0.005	22%	0.219	C	C	.	.	H	α-helix	trans	-55.2	-38.1	175.7	-66.8	-55.8	0	0	0	111.8	C80 F82 F90 E91 H95 Y96 R97 L113 L133 Y137	C80-I93 HydrophobicContact CB-CD1 4.18Å; C80-I93 HydrophobicContact CB-CG2 4.43Å; F82-I93 HydrophobicContact CB-CD1 4.02Å; F82-I93 HydrophobicContact CB-CG1 4.05Å; F82-I93 HydrophobicContact CD1-CD1 4.49Å; F82-I93 HydrophobicContact CD1-CG1 4.27Å; F82-I93 HydrophobicContact CG-CG1 4.5Å; F90-I93 VanDerWaalsContact O-CB 3.31Å; F90-I93 WeakPolarHBondContact O-CB 3.43Å; F90-I93 WeakPolarHBondContact O-CG1 3.49Å; F90-I93 PolarHBondContact O-N 3.06Å; E91-I93 PolarHBondContact O-N 3.15Å; I93-H95 VanDerWaalsContact C-N 3.28Å; I93-H95 PolarHBondContact O-N 3.43Å; I93-Y96 PolarHBondContact O-N 2.92Å; I93-R97 WeakPolarHBondContact O-CB 3.34Å; I93-R97 PolarHBondContact O-N 2.76Å; I93-L113 HydrophobicContact CB-CD1 4.5Å; I93-L113 HydrophobicContact CD1-CD1 4.28Å; I93-L113 HydrophobicContact CG1-CD1 4.06Å; I93-L113 HydrophobicContact CG2-CD1 3.7Å; I93-L133 HydrophobicContact CG2-CD2 4.37Å; I93-Y137 HydrophobicContact CG2-CE2 4.25Å
94	H	95.6	Very high	95.3	Very high	99 Å²	99	49.8 Å²	49.8	46%	0.458	23%	0.231	S	C	.	.	H	α-helix	trans	-59.7	-43.9	177.4	-175.8	67	0	0	0	110.9	E91 D92 R97 E98 Y137	E91-H94 PolarHBondContact O-N 3.33Å; D92-H94 PolarHBondContact O-N 3.48Å; H94-R97 PolarHBondContact O-N 2.97Å; H94-E98 IonicContact CE1-OE1 2.86Å; H94-E98 WeakPolarHBondContact O-CG 3.33Å; H94-E98 PolarHBondContact O-N 2.62Å; H94-Y137 WeakPolarHBondContact CB-OH 3.26Å; H94-Y137 AromaticContact ND1-CZ 3.96Å; H94-Y137 PolarHBondContact ND1-OH 2.8Å
95	H	93.3	Very high	95.2	Very high	93 Å²	93	57.1 Å²	57.1	43%	0.431	27%	0.27	S	S	.	.	H	α-helix	trans	-62.6	-47	179.2	-171.2	62.7	0	0	0	112.3	D92 I93 R97 E98 Q99	D92-H95 WeakPolarHBondContact O-CB 3.31Å; D92-H95 PolarHBondContact O-N 3.13Å; I93-H95 VanDerWaalsContact C-N 3.28Å; I93-H95 PolarHBondContact O-N 3.43Å; H95-R97 VanDerWaalsContact C-N 3.32Å; H95-R97 PolarHBondContact O-N 3.48Å; H95-E98 PolarHBondContact O-N 3.24Å; H95-Q99 PolarHBondContact CD2-NE2 2.9Å; H95-Q99 PolarHBondContact CE1-NE2 3.37Å; H95-Q99 PolarHBondContact NE2-NE2 3.15Å; H95-Q99 WeakPolarHBondContact O-CG 3.31Å; H95-Q99 PolarHBondContact O-N 3.24Å
96	Y	93.2	Very high	95	Very high	11 Å²	11	56.2 Å²	56.2	4%	0.043	27%	0.268	C	S	.	.	H	α-helix	trans	-59.9	-42.5	177	-72.2	-71	0	0	0	112.1	V9 G10 A11 D92 I93 Q99 I100	V9-Y96 HydrophobicContact CB-CD1 4.13Å; V9-Y96 HydrophobicContact CG2-CD1 4.46Å; V9-Y96 HydrophobicContact CG2-CG 4.47Å; G10-Y96 VanDerWaalsContact C-CZ 3.41Å; G10-Y96 PolarHBondContact O-OH 2.87Å; A11-Y96 WeakPolarHBondContact CA-OH 3.47Å; A11-Y96 PolarHBondContact N-OH 3.15Å; D92-Y96 HydrophobicContact CB-CD2 4.44Å; D92-Y96 HydrophobicContact CB-CE2 4.1Å; D92-Y96 WeakPolarHBondContact O-CD2 3.4Å; D92-Y96 PolarHBondContact O-N 3.06Å; D92-Y96 VanDerWaalsContact O-N 3.16Å; I93-Y96 PolarHBondContact O-N 2.92Å; Y96-Q99 PolarHBondContact O-N 3.23Å; Y96-I100 WeakPolarHBondContact O-CD1 3.41Å; Y96-I100 VanDerWaalsContact O-CG1 3.26Å; Y96-I100 WeakPolarHBondContact O-CG1 3.12Å; Y96-I100 PolarHBondContact O-N 2.99Å
97	R	95.1	Very high	94.7	Very high	31 Å²	31	60.1 Å²	60.1	12%	0.117	28%	0.284	C	S	.	.	H	α-helix	trans	-61.3	-49.2	177.9	179.1	-177	176	-84.3	16.1	112	I93 H94 H95 Q99 I100 K101 M111	I93-R97 WeakPolarHBondContact O-CB 3.34Å; I93-R97 PolarHBondContact O-N 2.76Å; H94-R97 PolarHBondContact O-N 2.97Å; H95-R97 VanDerWaalsContact C-N 3.32Å; H95-R97 PolarHBondContact O-N 3.48Å; R97-Q99 VanDerWaalsContact C-N 3.29Å; R97-Q99 PolarHBondContact O-N 2.97Å; R97-I100 PolarHBondContact O-N 3.36Å; R97-K101 VanDerWaalsContact CZ-NZ 3.35Å; R97-K101 WeakPolarHBondContact O-CG 3.21Å; R97-K101 PolarHBondContact O-N 2.77Å; R97-M111 HydrophobicContact CG-CE 4.11Å; R97-M111 HydrophobicContact CG-SD 4Å
98	E	94.8	Very high	94.5	Very high	75 Å²	75	60.5 Å²	60.5	35%	0.35	28%	0.284	S	S	.	.	H	α-helix	trans	-62.6	-38.5	-179.9	-68.4	-50.5	114.2	0	0	111.7	H94 H95 K101 R102	H94-E98 IonicContact CE1-OE1 2.86Å; H94-E98 WeakPolarHBondContact O-CG 3.33Å; H94-E98 PolarHBondContact O-N 2.62Å; H95-E98 PolarHBondContact O-N 3.24Å; E98-K101 PolarHBondContact O-N 2.8Å; E98-R102 WeakPolarHBondContact O-CB 3.17Å; E98-R102 PolarHBondContact O-N 3.2Å
99	Q	91.6	Very high	94.6	Very high	19 Å²	19	55.5 Å²	55.5	9%	0.089	26%	0.263	C	S	.	.	H	α-helix	trans	-61.5	-47.3	173.5	-72.7	-172.8	-6.1	0	0	112.1	M72 H95 Y96 R97 K101 R102 V103	M72-Q99 HydrophobicContact CE-CB 4.07Å; M72-Q99 HydrophobicContact SD-CB 4.05Å; H95-Q99 PolarHBondContact CD2-NE2 2.9Å; H95-Q99 PolarHBondContact CE1-NE2 3.37Å; H95-Q99 PolarHBondContact NE2-NE2 3.15Å; H95-Q99 WeakPolarHBondContact O-CG 3.31Å; H95-Q99 PolarHBondContact O-N 3.24Å; Y96-Q99 PolarHBondContact O-N 3.23Å; R97-Q99 VanDerWaalsContact C-N 3.29Å; R97-Q99 PolarHBondContact O-N 2.97Å; Q99-K101 VanDerWaalsContact C-N 3.34Å; Q99-K101 PolarHBondContact O-N 2.81Å; Q99-R102 PolarHBondContact O-N 2.77Å; Q99-V103 WeakPolarHBondContact O-CG2 3.46Å; Q99-V103 PolarHBondContact O-N 3.13Å
100	I	94.3	Very high	94.7	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-58.2	-48.7	178.2	-69.4	160.2	0	0	0	110.3	V9 M72 F78 Y96 R97 R102 V103 K104 V109 M111	V9-I100 HydrophobicContact CG2-CD1 4.02Å; M72-I100 HydrophobicContact CE-CG1 4.41Å; M72-I100 HydrophobicContact CG-CG1 4.41Å; M72-I100 HydrophobicContact SD-CG1 4.18Å; F78-I100 HydrophobicContact CB-CD1 3.71Å; F78-I100 HydrophobicContact CD1-CD1 3.66Å; F78-I100 HydrophobicContact CD1-CG1 3.84Å; F78-I100 HydrophobicContact CD1-CG2 4.34Å; F78-I100 HydrophobicContact CD2-CD1 4.31Å; F78-I100 HydrophobicContact CD2-CG2 3.61Å; F78-I100 HydrophobicContact CE1-CD1 4.42Å; F78-I100 HydrophobicContact CE1-CG1 4.11Å; F78-I100 HydrophobicContact CE1-CG2 4.32Å; F78-I100 HydrophobicContact CE2-CG2 3.6Å; F78-I100 HydrophobicContact CG-CD1 3.6Å; F78-I100 HydrophobicContact CG-CG1 4.08Å; F78-I100 HydrophobicContact CG-CG2 4.02Å; F78-I100 HydrophobicContact CZ-CG2 3.98Å; Y96-I100 WeakPolarHBondContact O-CD1 3.41Å; Y96-I100 VanDerWaalsContact O-CG1 3.26Å; Y96-I100 WeakPolarHBondContact O-CG1 3.12Å; Y96-I100 PolarHBondContact O-N 2.99Å; R97-I100 PolarHBondContact O-N 3.36Å; I100-R102 VanDerWaalsContact C-N 3.34Å; I100-R102 PolarHBondContact O-N 3.4Å; I100-V103 PolarHBondContact O-N 2.84Å; I100-K104 HydrophobicContact CG2-CG 4.19Å; I100-K104 VanDerWaalsContact O-CB 3.29Å; I100-K104 WeakPolarHBondContact O-CB 3.3Å; I100-K104 VanDerWaalsContact O-CG 3.32Å; I100-K104 WeakPolarHBondContact O-CG 3.43Å; I100-K104 PolarHBondContact O-N 2.61Å; I100-V109 HydrophobicContact CG2-CB 4.35Å; I100-V109 HydrophobicContact CG2-CG1 3.76Å; I100-M111 HydrophobicContact CB-CE 4.06Å; I100-M111 HydrophobicContact CD1-SD 4.31Å; I100-M111 HydrophobicContact CG2-CE 3.64Å
101	K	95.3	Very high	94.7	Very high	14 Å²	14	54.6 Å²	54.6	6%	0.061	26%	0.26	C	S	.	.	H	α-helix	trans	-58.6	-46.2	179.2	-74.5	-168.3	158.9	-159.9	0	112.4	R97 E98 Q99 K104 D105 S106 E107 M111	R97-K101 VanDerWaalsContact CZ-NZ 3.35Å; R97-K101 WeakPolarHBondContact O-CG 3.21Å; R97-K101 PolarHBondContact O-N 2.77Å; E98-K101 PolarHBondContact O-N 2.8Å; Q99-K101 VanDerWaalsContact C-N 3.34Å; Q99-K101 PolarHBondContact O-N 2.81Å; K101-K104 PolarHBondContact O-N 3.16Å; K101-D105 WeakPolarHBondContact O-CA 3.45Å; K101-D105 PolarHBondContact O-N 3.36Å; K101-S106 PolarHBondContact O-N 3.3Å; K101-E107 WeakPolarHBondContact CE-O 3.35Å; K101-E107 PolarHBondContact NZ-O 2.86Å; K101-E107 IonicContact NZ-OE2 3.51Å; K101-E107 PolarHBondContact NZ-OE2 3.24Å; K101-M111 HydrophobicContact CG-CE 4.18Å
102	R	94.5	Very high	94.8	Very high	160 Å²	160	49.2 Å²	49.2	60%	0.604	24%	0.235	S	C	*	.	H	α-helix	trans	-60.2	-46.3	178	-174.6	-174.2	69.6	-149.1	0.4	111.9	E98 Q99 I100 D105	E98-R102 WeakPolarHBondContact O-CB 3.17Å; E98-R102 PolarHBondContact O-N 3.2Å; Q99-R102 PolarHBondContact O-N 2.77Å; I100-R102 VanDerWaalsContact C-N 3.34Å; I100-R102 PolarHBondContact O-N 3.4Å; R102-D105 PolarHBondContact O-N 2.86Å
103	V	93	Very high	95	Very high	21 Å²	21	47.7 Å²	47.7	13%	0.127	23%	0.227	C	C	.	.	H	α-helix	trans	-71.4	-34.4	-179.1	175.9	0	0	0	0	111.8	D69 M72 R73 Q99 I100 D105	D69-V103 HydrophobicContact CB-CG2 4.32Å; D69-V103 WeakPolarHBondContact O-CG1 3.29Å; D69-V103 WeakPolarHBondContact OD1-CG2 3.45Å; M72-V103 HydrophobicContact CB-CB 3.9Å; M72-V103 HydrophobicContact CB-CG1 3.64Å; M72-V103 HydrophobicContact CB-CG2 4.23Å; M72-V103 HydrophobicContact SD-CB 4.5Å; M72-V103 HydrophobicContact SD-CG2 4.06Å; R73-V103 HydrophobicContact CB-CG1 4.06Å; Q99-V103 WeakPolarHBondContact O-CG2 3.46Å; Q99-V103 PolarHBondContact O-N 3.13Å; I100-V103 PolarHBondContact O-N 2.84Å; V103-D105 VanDerWaalsContact C-N 3.3Å
104	K	93.6	Very high	95.1	Very high	57 Å²	57	47.7 Å²	47.7	25%	0.248	23%	0.226	C	C	.	.	H	α-helix	trans	-77.2	-15	175.7	-72.8	-53.9	-159.6	-165.4	0	114.4	M72 R73 G75 I100 K101 S106 V109	M72-K104 WeakPolarHBondContact O-CD 3.34Å; M72-K104 WeakPolarHBondContact O-CE 3.32Å; M72-K104 PolarHBondContact O-NZ 3.41Å; R73-K104 VanDerWaalsContact C-NZ 3.3Å; R73-K104 PolarHBondContact O-NZ 2.93Å; G75-K104 WeakPolarHBondContact O-CE 3.08Å; G75-K104 PolarHBondContact O-NZ 3.19Å; I100-K104 HydrophobicContact CG2-CG 4.19Å; I100-K104 VanDerWaalsContact O-CB 3.29Å; I100-K104 WeakPolarHBondContact O-CB 3.3Å; I100-K104 VanDerWaalsContact O-CG 3.32Å; I100-K104 WeakPolarHBondContact O-CG 3.43Å; I100-K104 PolarHBondContact O-N 2.61Å; K101-K104 PolarHBondContact O-N 3.16Å; K104-S106 PolarHBondContact O-N 3.44Å; K104-V109 HydrophobicContact CB-CG2 3.64Å; K104-V109 HydrophobicContact CG-CG1 4.09Å; K104-V109 HydrophobicContact CG-CG2 3.78Å
105	D	94.3	Very high	95.2	Very high	154 Å²	154	43 Å²	43	82%	0.824	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.2	45.6	-170	-166.3	32.1	0	0	0	111.1	K101 R102 V103	K101-D105 WeakPolarHBondContact O-CA 3.45Å; K101-D105 PolarHBondContact O-N 3.36Å; R102-D105 PolarHBondContact O-N 2.86Å; V103-D105 VanDerWaalsContact C-N 3.3Å
106	S	93.2	Very high	95.5	Very high	33 Å²	33	38.7 Å²	38.7	23%	0.231	19%	0.185	C	C	.	.			trans	-154.7	136.4	-173.9	-161.2	0	0	0	0	113.2	K101 K104 V109	K101-S106 PolarHBondContact O-N 3.3Å; K104-S106 PolarHBondContact O-N 3.44Å; S106-V109 WeakPolarHBondContact O-CG2 3.29Å
107	E	91.9	Very high	95.7	Very high	142 Å²	142	41 Å²	41	66%	0.664	20%	0.195	S	C	*	.	S	Bend	trans	-81	-22.8	174.9	-68.5	-58.7	124.4	0	0	113.5	K101	K101-E107 WeakPolarHBondContact CE-O 3.35Å; K101-E107 PolarHBondContact NZ-O 2.86Å; K101-E107 IonicContact NZ-OE2 3.51Å; K101-E107 PolarHBondContact NZ-OE2 3.24Å
108	D	93.1	Very high	95.8	Very high	67 Å²	67	40.7 Å²	40.7	36%	0.358	20%	0.198	S	C	.	.			trans	-109.9	74.6	-175.2	-170.8	24	0	0	0	108.4	Y166	D108-Y166 HydrophobicContact CB-CE2 4.31Å; D108-Y166 WeakPolarHBondContact O-CD2 3.27Å; D108-Y166 WeakPolarHBondContact O-CE2 3.48Å
109	V	97	Very high	95.8	Very high	13 Å²	13	39.8 Å²	39.8	8%	0.079	20%	0.195	C	C	.	.			trans	-106.4	131.7	177.1	-179.4	0	0	0	0	108.2	F78 I100 K104 S106 M111	F78-V109 HydrophobicContact CD2-CG1 3.67Å; F78-V109 HydrophobicContact CE2-CG1 3.65Å; I100-V109 HydrophobicContact CG2-CB 4.35Å; I100-V109 HydrophobicContact CG2-CG1 3.76Å; K104-V109 HydrophobicContact CB-CG2 3.64Å; K104-V109 HydrophobicContact CG-CG1 4.09Å; K104-V109 HydrophobicContact CG-CG2 3.78Å; S106-V109 WeakPolarHBondContact O-CG2 3.29Å; V109-M111 HydrophobicContact CB-CE 3.69Å; V109-M111 HydrophobicContact CG1-CE 4.08Å; V109-M111 HydrophobicContact CG2-CE 4.49Å; V109-M111 WeakPolarHBondContact O-CG 2.94Å; V109-M111 PolarHBondContact O-N 3.42Å; V109-M111 VanDerWaalsContact O-N 3.16Å
110	P	98.4	Very high	96	Very high	8 Å²	8	41.6 Å²	41.6	5%	0.052	21%	0.205	C	C	.	.			trans	-58.5	118.3	176.3	-25.5	35.2	0	0	0	111.7	E76 G77 F78 L159 E162 I163 Y166	E76-P110 WeakPolarHBondContact O-CG 3.42Å; G77-P110 VanDerWaalsContact CA-O 3.26Å; G77-P110 WeakPolarHBondContact CA-O 3.4Å; F78-P110 PolarHBondContact N-O 2.94Å; P110-L159 HydrophobicContact CB-CD1 4.35Å; P110-E162 HydrophobicContact CB-CB 4.07Å; P110-I163 HydrophobicContact CB-CG1 3.73Å; P110-I163 HydrophobicContact CG-CG1 4.06Å; P110-Y166 HydrophobicContact CG-CD1 4.08Å; P110-Y166 HydrophobicContact CG-CG 3.83Å
111	M	98.6	Very high	95.9	Very high	4 Å²	4	47.7 Å²	47.7	2%	0.02	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	156.5	176.4	-52	-176.7	-156.3	0	0	110.9	F78 R97 I100 K101 V109 I139 P140	F78-M111 HydrophobicContact CB-CG 4.2Å; F78-M111 CarbonylContact O-C 3.56Å; F78-M111 WeakPolarHBondContact O-CA 3.24Å; R97-M111 HydrophobicContact CG-CE 4.11Å; R97-M111 HydrophobicContact CG-SD 4Å; I100-M111 HydrophobicContact CB-CE 4.06Å; I100-M111 HydrophobicContact CD1-SD 4.31Å; I100-M111 HydrophobicContact CG2-CE 3.64Å; K101-M111 HydrophobicContact CG-CE 4.18Å; V109-M111 HydrophobicContact CB-CE 3.69Å; V109-M111 HydrophobicContact CG1-CE 4.08Å; V109-M111 HydrophobicContact CG2-CE 4.49Å; V109-M111 WeakPolarHBondContact O-CG 2.94Å; V109-M111 PolarHBondContact O-N 3.42Å; V109-M111 VanDerWaalsContact O-N 3.16Å; M111-I139 HydrophobicContact CB-CD1 4.18Å; M111-I139 HydrophobicContact CB-CG2 4.2Å; M111-P140 WeakPolarHBondContact O-CD 3.26Å
112	V	98.8	Very high	95.8	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	131.6	168.6	171	0	0	0	0	108.4	F78 L79 C80 V114 P140 I142 L159 E162	F78-V112 PolarHBondContact O-N 2.97Å; L79-V112 HydrophobicContact CD2-CB 3.86Å; L79-V112 HydrophobicContact CD2-CG1 4.12Å; C80-V112 PolarHBondContact N-O 3.4Å; V112-V114 HydrophobicContact CG1-CG2 4.12Å; V112-P140 HydrophobicContact CG1-CB 4.39Å; V112-P140 HydrophobicContact CG2-CB 4.23Å; V112-P140 HydrophobicContact CG2-CG 4.14Å; V112-I142 HydrophobicContact CG1-CD1 4.21Å; V112-I142 HydrophobicContact CG1-CG1 4.49Å; V112-L159 HydrophobicContact CG2-CB 3.97Å; V112-L159 HydrophobicContact CG2-CD1 4.15Å; V112-E162 HydrophobicContact CG2-CG 4.31Å
113	L	98.8	Very high	95.9	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	128.7	172.9	-176	64.5	0	0	0	109.6	C80 F82 I93 A130 L133 A134 I139 P140 F141 I142	C80-L113 HydrophobicContact CB-CD1 4.37Å; F82-L113 HydrophobicContact CD1-CD1 3.89Å; F82-L113 HydrophobicContact CD1-CG 4.37Å; F82-L113 HydrophobicContact CE1-CD1 3.98Å; F82-L113 HydrophobicContact CE1-CD2 4.24Å; F82-L113 HydrophobicContact CE1-CG 3.97Å; I93-L113 HydrophobicContact CB-CD1 4.5Å; I93-L113 HydrophobicContact CD1-CD1 4.28Å; I93-L113 HydrophobicContact CG1-CD1 4.06Å; I93-L113 HydrophobicContact CG2-CD1 3.7Å; L113-A130 WeakPolarHBondContact CD2-O 3.46Å; L113-L133 HydrophobicContact CD2-CD2 4.42Å; L113-A134 HydrophobicContact CB-CB 4.35Å; L113-A134 HydrophobicContact CD2-CB 3.93Å; L113-I139 HydrophobicContact CB-CD1 4.05Å; L113-I139 HydrophobicContact CB-CG1 4.46Å; L113-P140 PolarHBondContact N-O 3.01Å; L113-F141 HydrophobicContact CB-CB 4.49Å; L113-F141 HydrophobicContact CB-CD2 4.1Å; L113-F141 HydrophobicContact CD2-CD2 3.84Å; L113-F141 HydrophobicContact CD2-CE2 4.43Å; L113-F141 HydrophobicContact CG-CD2 3.81Å; L113-F141 HydrophobicContact CG-CE2 4.41Å; L113-F141 WeakPolarHBondContact O-CA 3.38Å; L113-F141 WeakPolarHBondContact O-CD2 3.33Å; L113-I142 PolarHBondContact O-N 3.41Å
114	V	98.8	Very high	96.1	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	118.1	-177.6	-178.6	0	0	0	0	110.7	L19 L79 C80 V81 F82 V112 I142 T144 A155	L19-V114 HydrophobicContact CD1-CG1 4.06Å; L79-V114 HydrophobicContact CB-CG2 4.48Å; L79-V114 HydrophobicContact CD2-CG2 3.64Å; C80-V114 PolarHBondContact O-N 3.26Å; V81-V114 WeakPolarHBondContact CA-O 3.37Å; V81-V114 HydrophobicContact CB-CB 4.5Å; V81-V114 HydrophobicContact CG1-CB 4.43Å; V81-V114 HydrophobicContact CG1-CG1 4.32Å; V81-V114 HydrophobicContact CG2-CB 4.16Å; F82-V114 WeakPolarHBondContact CD1-O 3.16Å; F82-V114 PolarHBondContact N-O 3.11Å; V112-V114 HydrophobicContact CG1-CG2 4.12Å; V114-I142 WeakPolarHBondContact CA-O 3.15Å; V114-T144 HydrophobicContact CG1-CG2 3.77Å; V114-T144 VanDerWaalsContact CG1-OG1 3.3Å; V114-T144 WeakPolarHBondContact CG1-OG1 3.34Å; V114-A155 HydrophobicContact CG2-CB 4.1Å
115	G	98.6	Very high	96.3	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	96	171.8	0	0	0	0	0	110.4	F82 I142 E143 T144	F82-G115 VanDerWaalsContact CE1-CA 3.49Å; G115-I142 PolarHBondContact N-O 3.19Å; G115-E143 CarbonylContact O-C 3.36Å; G115-E143 VanDerWaalsContact O-CA 3.31Å; G115-E143 WeakPolarHBondContact O-CA 2.85Å; G115-T144 PolarHBondContact O-N 3.32Å
116	N	98.3	Very high	96.4	Very high	3 Å²	3	43.2 Å²	43.2	2%	0.016	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	166.5	-176.3	-165	30	0	0	0	112.7	V14 L19 V81 F82 A83 I84 T144 A146	V14-N116 PolarHBondContact O-ND2 2.91Å; L19-N116 HydrophobicContact CD1-CB 4.34Å; V81-N116 HydrophobicContact CG1-CB 3.98Å; F82-N116 PolarHBondContact O-N 3.36Å; A83-N116 WeakPolarHBondContact CA-O 3.47Å; I84-N116 WeakPolarHBondContact CG1-O 3.4Å; I84-N116 PolarHBondContact N-O 2.96Å; N116-T144 CarbonylContact C-O 3.45Å; N116-T144 VanDerWaalsContact CA-O 3.29Å; N116-T144 WeakPolarHBondContact CA-O 3.42Å; N116-T144 PolarHBondContact OD1-O 3.32Å; N116-T144 PolarHBondContact OD1-OG1 3.12Å; N116-T144 VanDerWaalsContact OD1-OG1 3.13Å; N116-A146 PolarHBondContact OD1-N 3.01Å
117	K	97.3	Very high	96.5	Very high	59 Å²	59	43.8 Å²	43.8	26%	0.257	24%	0.239	S	C	.	.			trans	66.3	33.3	-179.6	-44.8	-170.8	-172.2	-177.4	0	113.4	G13 A83 I84 D119 L120 T144	G13-K117 WeakPolarHBondContact O-CE 3.43Å; G13-K117 PolarHBondContact O-NZ 3.46Å; A83-K117 HydrophobicContact CB-CD 4Å; A83-K117 HydrophobicContact CB-CG 4.25Å; I84-K117 WeakPolarHBondContact CD1-O 3.46Å; I84-K117 VanDerWaalsContact CG1-O 3.29Å; I84-K117 WeakPolarHBondContact CG1-O 3.18Å; K117-D119 WeakPolarHBondContact CA-OD1 3.31Å; K117-D119 PolarHBondContact O-N 3.16Å; K117-D119 VanDerWaalsContact O-N 3.09Å; K117-L120 HydrophobicContact CB-CD1 3.87Å; K117-L120 HydrophobicContact CB-CG 4.16Å; K117-L120 HydrophobicContact CD-CD1 3.99Å; K117-L120 PolarHBondContact O-N 2.95Å; K117-T144 PolarHBondContact N-O 3.36Å
118	C	97.1	Very high	96.8	Very high	26 Å²	26	43.8 Å²	43.8	18%	0.176	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-10.8	178.5	70	0	0	0	0	114.2	I84 L120 E143 T144 Q150	I84-C118 HydrophobicContact CD1-CB 4.49Å; C118-L120 VanDerWaalsContact C-N 3.32Å; C118-E143 HydrophobicContact CB-CB 4.19Å; C118-T144 PolarHBondContact N-O 2.78Å; C118-T144 VanDerWaalsContact N-O 3.13Å; C118-T144 PolarHBondContact SG-O 2.78Å; C118-Q150 PolarHBondContact SG-OE1 3.42Å; C118-Q150 VanDerWaalsContact SG-OE1 3.33Å
119	D	96.6	Very high	97	Very high	55 Å²	55	45.1 Å²	45.1	29%	0.294	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-18	171.5	58.2	-74.1	0	0	0	113.9	K117 S145 T148	K117-D119 WeakPolarHBondContact CA-OD1 3.31Å; K117-D119 PolarHBondContact O-N 3.16Å; K117-D119 VanDerWaalsContact O-N 3.09Å; D119-S145 WeakPolarHBondContact OD1-CB 3.32Å; D119-S145 PolarHBondContact OD1-OG 3.03Å; D119-T148 HydrophobicContact CB-CG2 4.06Å
120	L	94.3	Very high	97.1	Very high	57 Å²	57	44.6 Å²	44.6	30%	0.298	24%	0.238	S	C	.	.			trans	-81.5	136.7	-179	-63.4	-179	0	0	0	111.5	N85 K117 C118 S122	N85-L120 WeakPolarHBondContact ND2-CD1 3.16Å; K117-L120 HydrophobicContact CB-CD1 3.87Å; K117-L120 HydrophobicContact CB-CG 4.16Å; K117-L120 HydrophobicContact CD-CD1 3.99Å; K117-L120 PolarHBondContact O-N 2.95Å; C118-L120 VanDerWaalsContact C-N 3.32Å; L120-S122 VanDerWaalsContact C-N 3.28Å; L120-S122 PolarHBondContact O-N 2.92Å
121	P	92.3	Very high	97	Very high	129 Å²	129	48.3 Å²	48.3	84%	0.838	26%	0.255	S	S	*	.	S	Bend	trans	-73.7	-20.3	177.7	30.1	-35.3	0	0	0	113	R123	P121-R123 PolarHBondContact O-N 3.27Å
122	S	93.4	Very high	97	Very high	66 Å²	66	51.4 Å²	51.4	46%	0.462	27%	0.271	S	S	.	.			trans	-80.9	53.1	-176.8	49.2	0	0	0	0	113.1	N85 L120 T124	N85-S122 WeakPolarHBondContact CA-O 3.49Å; N85-S122 WeakPolarHBondContact CB-O 3.4Å; L120-S122 VanDerWaalsContact C-N 3.28Å; L120-S122 PolarHBondContact O-N 2.92Å; S122-T124 PolarHBondContact O-N 3.09Å
123	R	96.9	Very high	97	Very high	80 Å²	80	53.1 Å²	53.1	30%	0.302	28%	0.281	S	S	.	.			trans	-67.3	129.2	176.9	-179.1	178.9	-74.4	-98.8	11.3	110.9	I84 P121 V125 T127 E143	I84-R123 HydrophobicContact CD1-CB 4.08Å; I84-R123 HydrophobicContact CD1-CG 4.2Å; P121-R123 PolarHBondContact O-N 3.27Å; R123-V125 VanDerWaalsContact CD-O 3.31Å; R123-V125 WeakPolarHBondContact CD-O 3.47Å; R123-V125 WeakPolarHBondContact CG-O 3.29Å; R123-V125 PolarHBondContact NH1-O 2.87Å; R123-T127 PolarHBondContact NH1-OG1 3.4Å; R123-T127 VanDerWaalsContact NH1-OG1 3.16Å; R123-T127 PolarHBondContact NH2-OG1 3.08Å; R123-E143 IonicContact CZ-OE1 2.69Å; R123-E143 VanDerWaalsContact CZ-OE1 3.3Å; R123-E143 IonicContact NH1-OE1 3.84Å; R123-E143 PolarHBondContact NH1-OE1 2.79Å; R123-E143 VanDerWaalsContact NH2-CD 3.26Å; R123-E143 IonicContact NH2-OE1 3.62Å; R123-E143 PolarHBondContact NH2-OE1 2.99Å; R123-E143 IonicContact NH2-OE2 2.64Å; R123-E143 PolarHBondContact NH2-OE2 2.88Å
124	T	97.1	Very high	97	Very high	71 Å²	71	53.3 Å²	53.3	44%	0.436	28%	0.282	S	S	.	.			trans	-117.5	-12.9	172.2	67.7	0	0	0	0	113	I84 N85 N86 T87 S122	I84-T124 PolarHBondContact O-N 2.64Å; I84-T124 PolarHBondContact O-OG1 3.28Å; N85-T124 VanDerWaalsContact C-OG1 3.31Å; N86-T124 PolarHBondContact N-OG1 3.13Å; T87-T124 PolarHBondContact N-OG1 2.89Å; T87-T124 WeakPolarHBondContact OG1-CB 3.48Å; T87-T124 PolarHBondContact OG1-OG1 2.97Å; S122-T124 PolarHBondContact O-N 3.09Å
125	V	97.1	Very high	97	Very high	1 Å²	1	61.5 Å²	61.5	1%	0.006	31%	0.313	C	S	.	.	S	Bend	trans	-115.8	116.9	175	-176.7	0	0	0	0	109.2	F82 I84 F90 R123	F82-V125 HydrophobicContact CE2-CB 4.07Å; F82-V125 HydrophobicContact CE2-CG1 3.81Å; F82-V125 HydrophobicContact CE2-CG2 4.39Å; F82-V125 HydrophobicContact CZ-CG1 4.34Å; I84-V125 PolarHBondContact O-N 2.94Å; F90-V125 HydrophobicContact CB-CG1 4.33Å; F90-V125 HydrophobicContact CB-CG2 3.82Å; F90-V125 HydrophobicContact CD1-CG1 3.91Å; F90-V125 HydrophobicContact CD1-CG2 4.43Å; F90-V125 HydrophobicContact CD2-CG1 3.9Å; F90-V125 HydrophobicContact CE1-CG1 4.13Å; F90-V125 HydrophobicContact CE2-CG1 4.12Å; F90-V125 HydrophobicContact CG-CG1 3.78Å; F90-V125 HydrophobicContact CG-CG2 4.15Å; F90-V125 HydrophobicContact CZ-CG1 4.22Å; R123-V125 VanDerWaalsContact CD-O 3.31Å; R123-V125 WeakPolarHBondContact CD-O 3.47Å; R123-V125 WeakPolarHBondContact CG-O 3.29Å; R123-V125 PolarHBondContact NH1-O 2.87Å
126	D	96.8	Very high	96.9	Very high	93 Å²	93	65.6 Å²	65.6	50%	0.497	34%	0.341	S	S	.	.			trans	-71.6	143	-179.2	-70.5	-28	0	0	0	111.2	K128 Q129 A130	D126-K128 PolarHBondContact O-N 2.98Å; D126-K128 VanDerWaalsContact O-N 3.16Å; D126-Q129 HydrophobicContact CB-CB 4.45Å; D126-Q129 HydrophobicContact CB-CG 4.06Å; D126-Q129 WeakPolarHBondContact O-CB 3.47Å; D126-Q129 PolarHBondContact O-N 2.91Å; D126-A130 PolarHBondContact O-N 3.07Å; D126-A130 VanDerWaalsContact O-N 3.14Å
127	T	96.8	Very high	96.9	Very high	45 Å²	45	67.3 Å²	67.3	28%	0.276	35%	0.348	S	S	.	.	H	α-helix	trans	-53.9	-38.1	175.5	-54.8	0	0	0	0	111.4	R123 A130 Q131 F141 E143	R123-T127 PolarHBondContact NH1-OG1 3.4Å; R123-T127 VanDerWaalsContact NH1-OG1 3.16Å; R123-T127 PolarHBondContact NH2-OG1 3.08Å; T127-A130 PolarHBondContact O-N 3.3Å; T127-Q131 HydrophobicContact CG2-CG 4.41Å; T127-Q131 WeakPolarHBondContact O-CB 3.39Å; T127-Q131 VanDerWaalsContact O-CG 3.22Å; T127-Q131 WeakPolarHBondContact O-CG 3.31Å; T127-Q131 PolarHBondContact O-N 2.59Å; T127-F141 HydrophobicContact CG2-CE1 4.12Å; T127-E143 PolarHBondContact OG1-OE1 2.86Å
128	K	97.5	Very high	96.9	Very high	143 Å²	143	67.5 Å²	67.5	62%	0.622	37%	0.367	S	S	*	.	H	α-helix	trans	-63.3	-44	177.7	-172.9	-178.6	176.8	-173.5	0	112	D126 A130 Q131 D132	D126-K128 PolarHBondContact O-N 2.98Å; D126-K128 VanDerWaalsContact O-N 3.16Å; K128-A130 VanDerWaalsContact C-N 3.34Å; K128-A130 PolarHBondContact O-N 3.13Å; K128-Q131 PolarHBondContact O-N 2.88Å; K128-D132 WeakPolarHBondContact O-CB 3.47Å; K128-D132 PolarHBondContact O-N 3.21Å
129	Q	97.3	Very high	96.9	Very high	95 Å²	95	67.5 Å²	67.5	44%	0.444	37%	0.365	S	S	.	.	H	α-helix	trans	-61.7	-44.2	178.4	-67.6	173.1	-51.3	0	0	111.1	D126 D132 L133	D126-Q129 HydrophobicContact CB-CB 4.45Å; D126-Q129 HydrophobicContact CB-CG 4.06Å; D126-Q129 WeakPolarHBondContact O-CB 3.47Å; D126-Q129 PolarHBondContact O-N 2.91Å; Q129-D132 PolarHBondContact O-N 3.37Å; Q129-L133 PolarHBondContact O-N 3.22Å
130	A	97.9	Very high	97	Very high	1 Å²	1	66.4 Å²	66.4	1%	0.008	36%	0.361	C	S	.	.	H	α-helix	trans	-67.1	-38.4	177.8	0	0	0	0	0	112.6	F82 F90 L113 D126 T127 K128 L133 A134 F141	F82-A130 HydrophobicContact CE1-CB 4.31Å; F82-A130 HydrophobicContact CZ-CB 3.75Å; F90-A130 HydrophobicContact CE2-CB 3.9Å; F90-A130 HydrophobicContact CZ-CB 4.37Å; L113-A130 WeakPolarHBondContact CD2-O 3.46Å; D126-A130 PolarHBondContact O-N 3.07Å; D126-A130 VanDerWaalsContact O-N 3.14Å; T127-A130 PolarHBondContact O-N 3.3Å; K128-A130 VanDerWaalsContact C-N 3.34Å; K128-A130 PolarHBondContact O-N 3.13Å; A130-L133 PolarHBondContact O-N 3.37Å; A130-A134 WeakPolarHBondContact O-CB 3.45Å; A130-A134 PolarHBondContact O-N 2.86Å; A130-F141 HydrophobicContact CB-CD1 4.41Å; A130-F141 HydrophobicContact CB-CD2 4.22Å; A130-F141 HydrophobicContact CB-CE1 3.83Å; A130-F141 HydrophobicContact CB-CE2 3.63Å; A130-F141 HydrophobicContact CB-CZ 3.38Å
131	Q	98.2	Very high	97.2	Very high	87 Å²	87	65.4 Å²	65.4	41%	0.407	35%	0.354	S	S	.	.	H	α-helix	trans	-63.8	-42.1	172.9	-75.4	172.2	-6.7	0	0	112.4	T127 K128 L133 A134 R135 F141	T127-Q131 HydrophobicContact CG2-CG 4.41Å; T127-Q131 WeakPolarHBondContact O-CB 3.39Å; T127-Q131 VanDerWaalsContact O-CG 3.22Å; T127-Q131 WeakPolarHBondContact O-CG 3.31Å; T127-Q131 PolarHBondContact O-N 2.59Å; K128-Q131 PolarHBondContact O-N 2.88Å; Q131-L133 VanDerWaalsContact C-N 3.34Å; Q131-A134 PolarHBondContact O-N 3.32Å; Q131-R135 WeakPolarHBondContact O-CB 3.37Å; Q131-R135 VanDerWaalsContact O-CG 3.31Å; Q131-R135 WeakPolarHBondContact O-CG 3.39Å; Q131-R135 PolarHBondContact O-N 2.99Å; Q131-F141 HydrophobicContact CG-CD1 3.57Å; Q131-F141 HydrophobicContact CG-CE1 3.98Å
132	D	98.4	Very high	97.5	Very high	68 Å²	68	59.7 Å²	59.7	36%	0.364	32%	0.317	S	S	.	.	H	α-helix	trans	-62.2	-42.5	176.9	-71.1	-20.4	0	0	0	111.1	K128 Q129 R135 S136	K128-D132 WeakPolarHBondContact O-CB 3.47Å; K128-D132 PolarHBondContact O-N 3.21Å; Q129-D132 PolarHBondContact O-N 3.37Å; D132-R135 PolarHBondContact O-N 3.39Å; D132-R135 IonicContact OD1-CZ 2.78Å; D132-R135 IonicContact OD1-NE 3.3Å; D132-R135 IonicContact OD1-NH2 3.88Å; D132-R135 PolarHBondContact OD1-NH2 3.2Å; D132-S136 PolarHBondContact O-N 2.89Å
133	L	98.1	Very high	97.8	Very high	37 Å²	37	58.2 Å²	58.2	19%	0.194	30%	0.303	C	S	.	.	H	α-helix	trans	-64.5	-45.5	175.5	-172.7	67.1	0	0	0	112.3	F90 I93 L113 Q129 A130 Q131 R135 S136 Y137	F90-L133 HydrophobicContact CD2-CD2 4.27Å; F90-L133 HydrophobicContact CE1-CD2 4.24Å; F90-L133 HydrophobicContact CE2-CB 4.36Å; F90-L133 HydrophobicContact CE2-CD2 3.48Å; F90-L133 VanDerWaalsContact CE2-CD2 3.48Å; F90-L133 HydrophobicContact CZ-CB 3.93Å; F90-L133 HydrophobicContact CZ-CD2 3.46Å; F90-L133 VanDerWaalsContact CZ-CD2 3.46Å; F90-L133 HydrophobicContact CZ-CG 4.3Å; I93-L133 HydrophobicContact CG2-CD2 4.37Å; L113-L133 HydrophobicContact CD2-CD2 4.42Å; Q129-L133 PolarHBondContact O-N 3.22Å; A130-L133 PolarHBondContact O-N 3.37Å; Q131-L133 VanDerWaalsContact C-N 3.34Å; L133-R135 VanDerWaalsContact C-N 3.3Å; L133-R135 PolarHBondContact O-N 3.12Å; L133-S136 PolarHBondContact O-N 3.36Å; L133-S136 PolarHBondContact O-OG 2.96Å; L133-Y137 HydrophobicContact CD1-CD2 4.43Å; L133-Y137 HydrophobicContact CD1-CE1 4.18Å; L133-Y137 HydrophobicContact CD1-CE2 3.71Å; L133-Y137 HydrophobicContact CD2-CE2 4.06Å; L133-Y137 HydrophobicContact CG-CD2 4.15Å; L133-Y137 HydrophobicContact CG-CE2 3.66Å; L133-Y137 PolarHBondContact O-N 2.88Å; L133-Y137 VanDerWaalsContact O-N 3.08Å
134	A	98.2	Very high	97.9	Very high	3 Å²	3	54.4 Å²	54.4	3%	0.025	29%	0.288	C	S	.	.	H	α-helix	trans	-63.3	-39.2	178.2	0	0	0	0	0	112	L113 A130 Q131 Y137 G138 I139 F141	L113-A134 HydrophobicContact CB-CB 4.35Å; L113-A134 HydrophobicContact CD2-CB 3.93Å; A130-A134 WeakPolarHBondContact O-CB 3.45Å; A130-A134 PolarHBondContact O-N 2.86Å; Q131-A134 PolarHBondContact O-N 3.32Å; A134-Y137 CarbonylContact O-C 3.57Å; A134-Y137 PolarHBondContact O-N 3.2Å; A134-G138 PolarHBondContact O-N 3.01Å; A134-I139 HydrophobicContact CB-CG1 4.36Å; A134-I139 WeakPolarHBondContact CB-O 3.44Å; A134-I139 PolarHBondContact O-N 2.74Å; A134-F141 HydrophobicContact CB-CB 3.57Å
135	R	98.1	Very high	97.9	Very high	172 Å²	172	51 Å²	51	65%	0.649	27%	0.267	S	S	*	.	H	α-helix	trans	-62.6	-43.1	173.7	-77.6	-169.4	-71.9	-166.6	-3.6	112.4	Q131 D132 L133 Y137 G138	Q131-R135 WeakPolarHBondContact O-CB 3.37Å; Q131-R135 VanDerWaalsContact O-CG 3.31Å; Q131-R135 WeakPolarHBondContact O-CG 3.39Å; Q131-R135 PolarHBondContact O-N 2.99Å; D132-R135 PolarHBondContact O-N 3.39Å; D132-R135 IonicContact OD1-CZ 2.78Å; D132-R135 IonicContact OD1-NE 3.3Å; D132-R135 IonicContact OD1-NH2 3.88Å; D132-R135 PolarHBondContact OD1-NH2 3.2Å; L133-R135 VanDerWaalsContact C-N 3.3Å; L133-R135 PolarHBondContact O-N 3.12Å; R135-Y137 PolarHBondContact O-N 2.97Å; R135-G138 PolarHBondContact O-N 3.48Å; R135-G138 VanDerWaalsContact O-N 3.11Å
136	S	97.9	Very high	97.8	Very high	86 Å²	86	51.2 Å²	51.2	60%	0.601	27%	0.269	S	S	*	.	H	α-helix	trans	-65.7	-28.7	178	76.1	0	0	0	0	112.3	D132 L133	D132-S136 PolarHBondContact O-N 2.89Å; L133-S136 PolarHBondContact O-N 3.36Å; L133-S136 PolarHBondContact O-OG 2.96Å
137	Y	97.4	Very high	97.7	Very high	39 Å²	39	52.4 Å²	52.4	15%	0.153	27%	0.27	C	S	.	.	H	α-helix	trans	-84.9	-14.1	173.2	-65.6	-18.6	0	0	0	114.5	I93 H94 L133 A134 R135 I139	I93-Y137 HydrophobicContact CG2-CE2 4.25Å; H94-Y137 WeakPolarHBondContact CB-OH 3.26Å; H94-Y137 AromaticContact ND1-CZ 3.96Å; H94-Y137 PolarHBondContact ND1-OH 2.8Å; L133-Y137 HydrophobicContact CD1-CD2 4.43Å; L133-Y137 HydrophobicContact CD1-CE1 4.18Å; L133-Y137 HydrophobicContact CD1-CE2 3.71Å; L133-Y137 HydrophobicContact CD2-CE2 4.06Å; L133-Y137 HydrophobicContact CG-CD2 4.15Å; L133-Y137 HydrophobicContact CG-CE2 3.66Å; L133-Y137 PolarHBondContact O-N 2.88Å; L133-Y137 VanDerWaalsContact O-N 3.08Å; A134-Y137 CarbonylContact O-C 3.57Å; A134-Y137 PolarHBondContact O-N 3.2Å; R135-Y137 PolarHBondContact O-N 2.97Å; Y137-I139 HydrophobicContact CD2-CD1 4.23Å
138	G	97.3	Very high	97.7	Very high	64 Å²	64	54.1 Å²	54.1	66%	0.66	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.1	30.6	-176.2	0	0	0	0	0	113.6	A134 R135	A134-G138 PolarHBondContact O-N 3.01Å; R135-G138 PolarHBondContact O-N 3.48Å; R135-G138 VanDerWaalsContact O-N 3.11Å
139	I	98.3	Very high	97.6	Very high	25 Å²	25	52.4 Å²	52.4	13%	0.128	27%	0.269	C	S	.	.			trans	-121.8	156.4	-177.2	67.1	178.5	0	0	0	111.5	M111 L113 A134 Y137	M111-I139 HydrophobicContact CB-CD1 4.18Å; M111-I139 HydrophobicContact CB-CG2 4.2Å; L113-I139 HydrophobicContact CB-CD1 4.05Å; L113-I139 HydrophobicContact CB-CG1 4.46Å; A134-I139 HydrophobicContact CB-CG1 4.36Å; A134-I139 WeakPolarHBondContact CB-O 3.44Å; A134-I139 PolarHBondContact O-N 2.74Å; Y137-I139 HydrophobicContact CD2-CD1 4.23Å
140	P	98.5	Very high	97.6	Very high	33 Å²	33	52.4 Å²	52.4	21%	0.214	27%	0.269	C	S	.	.			trans	-65.1	150.5	174.4	-20.8	33.5	0	0	0	112.5	M111 V112 L113 E162	M111-P140 WeakPolarHBondContact O-CD 3.26Å; V112-P140 HydrophobicContact CG1-CB 4.39Å; V112-P140 HydrophobicContact CG2-CB 4.23Å; V112-P140 HydrophobicContact CG2-CG 4.14Å; L113-P140 PolarHBondContact N-O 3.01Å; P140-E162 HydrophobicContact CG-CG 3.91Å
141	F	98.6	Very high	97.6	Very high	36 Å²	36	58 Å²	58	16%	0.158	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	131.7	170.7	171.4	-119.7	0	0	0	111.2	F82 L113 T127 A130 Q131 A134 E143	F82-F141 AromaticContact CE1-CE2 3.9Å; F82-F141 HydrophobicContact CE1-CE2 3.9Å; F82-F141 AromaticContact CZ-CE2 3.97Å; F82-F141 HydrophobicContact CZ-CE2 3.97Å; F82-F141 HydrophobicContact CZ-CZ 4.4Å; L113-F141 HydrophobicContact CB-CB 4.49Å; L113-F141 HydrophobicContact CB-CD2 4.1Å; L113-F141 HydrophobicContact CD2-CD2 3.84Å; L113-F141 HydrophobicContact CD2-CE2 4.43Å; L113-F141 HydrophobicContact CG-CD2 3.81Å; L113-F141 HydrophobicContact CG-CE2 4.41Å; L113-F141 WeakPolarHBondContact O-CA 3.38Å; L113-F141 WeakPolarHBondContact O-CD2 3.33Å; T127-F141 HydrophobicContact CG2-CE1 4.12Å; A130-F141 HydrophobicContact CB-CD1 4.41Å; A130-F141 HydrophobicContact CB-CD2 4.22Å; A130-F141 HydrophobicContact CB-CE1 3.83Å; A130-F141 HydrophobicContact CB-CE2 3.63Å; A130-F141 HydrophobicContact CB-CZ 3.38Å; Q131-F141 HydrophobicContact CG-CD1 3.57Å; Q131-F141 HydrophobicContact CG-CE1 3.98Å; A134-F141 HydrophobicContact CB-CB 3.57Å; F141-E143 HydrophobicContact CE1-CG 3.73Å; F141-E143 HydrophobicContact CE2-CG 4.23Å; F141-E143 HydrophobicContact CZ-CG 3.36Å
142	I	98.6	Very high	97.6	Very high	9 Å²	9	53.9 Å²	53.9	5%	0.046	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	126.2	179.6	-61.8	172.3	0	0	0	109	V112 L113 V114 G115 T144 R151 D154 A155	V112-I142 HydrophobicContact CG1-CD1 4.21Å; V112-I142 HydrophobicContact CG1-CG1 4.49Å; L113-I142 PolarHBondContact O-N 3.41Å; V114-I142 WeakPolarHBondContact CA-O 3.15Å; G115-I142 PolarHBondContact N-O 3.19Å; I142-T144 HydrophobicContact CG2-CG2 3.81Å; I142-R151 HydrophobicContact CG2-CB 4.02Å; I142-D154 HydrophobicContact CD1-CB 4.29Å; I142-D154 WeakPolarHBondContact CD1-O 3.5Å; I142-D154 HydrophobicContact CG2-CB 4.44Å; I142-A155 HydrophobicContact CG2-CB 4.42Å
143	E	98.4	Very high	97.5	Very high	35 Å²	35	53.6 Å²	53.6	16%	0.164	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	133.9	167.1	-67.8	-166.8	157.7	0	0	109.8	G115 C118 R123 T127 F141	G115-E143 CarbonylContact O-C 3.36Å; G115-E143 VanDerWaalsContact O-CA 3.31Å; G115-E143 WeakPolarHBondContact O-CA 2.85Å; C118-E143 HydrophobicContact CB-CB 4.19Å; R123-E143 IonicContact CZ-OE1 2.69Å; R123-E143 VanDerWaalsContact CZ-OE1 3.3Å; R123-E143 IonicContact NH1-OE1 3.84Å; R123-E143 PolarHBondContact NH1-OE1 2.79Å; R123-E143 VanDerWaalsContact NH2-CD 3.26Å; R123-E143 IonicContact NH2-OE1 3.62Å; R123-E143 PolarHBondContact NH2-OE1 2.99Å; R123-E143 IonicContact NH2-OE2 2.64Å; R123-E143 PolarHBondContact NH2-OE2 2.88Å; T127-E143 PolarHBondContact OG1-OE1 2.86Å; F141-E143 HydrophobicContact CE1-CG 3.73Å; F141-E143 HydrophobicContact CE2-CG 4.23Å; F141-E143 HydrophobicContact CZ-CG 3.36Å
144	T	98.5	Very high	97.5	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	156.6	-175.5	63	0	0	0	0	111.8	V114 G115 N116 K117 C118 I142 Q150 R151 A155	V114-T144 HydrophobicContact CG1-CG2 3.77Å; V114-T144 VanDerWaalsContact CG1-OG1 3.3Å; V114-T144 WeakPolarHBondContact CG1-OG1 3.34Å; G115-T144 PolarHBondContact O-N 3.32Å; N116-T144 CarbonylContact C-O 3.45Å; N116-T144 VanDerWaalsContact CA-O 3.29Å; N116-T144 WeakPolarHBondContact CA-O 3.42Å; N116-T144 PolarHBondContact OD1-O 3.32Å; N116-T144 PolarHBondContact OD1-OG1 3.12Å; N116-T144 VanDerWaalsContact OD1-OG1 3.13Å; K117-T144 PolarHBondContact N-O 3.36Å; C118-T144 PolarHBondContact N-O 2.78Å; C118-T144 VanDerWaalsContact N-O 3.13Å; C118-T144 PolarHBondContact SG-O 2.78Å; I142-T144 HydrophobicContact CG2-CG2 3.81Å; T144-Q150 WeakPolarHBondContact CA-O 3.25Å; T144-R151 HydrophobicContact CG2-CB 4.4Å; T144-R151 WeakPolarHBondContact CG2-O 3.47Å; T144-A155 HydrophobicContact CG2-CB 4.02Å
145	S	97.8	Very high	97.6	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	27%	0.274	C	S	.	.	B	Isolated β-bridge	trans	-131.8	109.9	164.1	169.5	0	0	0	0	108.6	D119 K147 T148 R149 Q150	D119-S145 WeakPolarHBondContact OD1-CB 3.32Å; D119-S145 PolarHBondContact OD1-OG 3.03Å; S145-K147 PolarHBondContact O-N 3.48Å; S145-K147 PolarHBondContact OG-N 3.47Å; S145-T148 WeakPolarHBondContact CB-OG1 3.43Å; S145-T148 PolarHBondContact O-N 3.14Å; S145-T148 PolarHBondContact OG-N 3.43Å; S145-T148 VanDerWaalsContact OG-N 3.07Å; S145-T148 PolarHBondContact OG-OG1 2.94Å; S145-R149 CarbonylContact O-C 3.59Å; S145-R149 VanDerWaalsContact O-CA 3.27Å; S145-R149 WeakPolarHBondContact O-CA 3.45Å; S145-R149 PolarHBondContact O-N 3.43Å; S145-Q150 PolarHBondContact N-O 3.32Å; S145-Q150 PolarHBondContact O-N 3.01Å; S145-Q150 VanDerWaalsContact O-N 3.15Å
146	A	95.9	Very high	97.6	Very high	4 Å²	4	46.6 Å²	46.6	3%	0.033	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-33.2	170.3	0	0	0	0	0	111.5	A18 L19 Q22 F28 N116	A18-A146 HydrophobicContact CB-CB 3.72Å; L19-A146 HydrophobicContact CD2-CB 3.94Å; L19-A146 HydrophobicContact CG-CB 4.2Å; Q22-A146 WeakPolarHBondContact CG-O 3.45Å; Q22-A146 PolarHBondContact NE2-O 2.76Å; F28-A146 HydrophobicContact CD2-CB 4.31Å; F28-A146 HydrophobicContact CE2-CB 4.18Å; N116-A146 PolarHBondContact OD1-N 3.01Å
147	K	95.1	Very high	97.6	Very high	119 Å²	119	44.1 Å²	44.1	52%	0.517	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-46.2	-179.3	-175.1	174.1	-175.8	173.3	0	113	F28 S145	F28-K147 HydrophobicContact CD1-CB 4.44Å; F28-K147 HydrophobicContact CD1-CG 4.13Å; F28-K147 HydrophobicContact CD2-CB 4.37Å; F28-K147 HydrophobicContact CE1-CB 4.12Å; F28-K147 HydrophobicContact CE1-CD 4.35Å; F28-K147 HydrophobicContact CE1-CG 3.89Å; F28-K147 HydrophobicContact CE2-CB 4.09Å; F28-K147 HydrophobicContact CZ-CB 3.97Å; F28-K147 HydrophobicContact CZ-CG 4.23Å; S145-K147 PolarHBondContact O-N 3.48Å; S145-K147 PolarHBondContact OG-N 3.47Å
148	T	95.6	Very high	97.6	Very high	80 Å²	80	43.2 Å²	43.2	49%	0.491	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.3	1.1	-177.6	63.4	0	0	0	0	113.2	D119 S145 Q150	D119-T148 HydrophobicContact CB-CG2 4.06Å; S145-T148 WeakPolarHBondContact CB-OG1 3.43Å; S145-T148 PolarHBondContact O-N 3.14Å; S145-T148 PolarHBondContact OG-N 3.43Å; S145-T148 VanDerWaalsContact OG-N 3.07Å; S145-T148 PolarHBondContact OG-OG1 2.94Å; T148-Q150 PolarHBondContact O-N 2.87Å; T148-Q150 VanDerWaalsContact O-N 3.13Å; T148-Q150 WeakPolarHBondContact OG1-CB 3.05Å; T148-Q150 PolarHBondContact OG1-N 2.95Å
149	R	95.8	Very high	97.7	Very high	107 Å²	107	40.1 Å²	40.1	40%	0.404	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.8	10.4	-171.1	-167.8	172	167.7	-164.9	-2.5	113.9	Q22 N26 S145 R151 V152 E153	Q22-R149 HydrophobicContact CG-CB 4.11Å; Q22-R149 HydrophobicContact CG-CG 3.99Å; N26-R149 PolarHBondContact OD1-NH1 2.93Å; N26-R149 PolarHBondContact OD1-NH2 2.81Å; S145-R149 CarbonylContact O-C 3.59Å; S145-R149 VanDerWaalsContact O-CA 3.27Å; S145-R149 WeakPolarHBondContact O-CA 3.45Å; S145-R149 PolarHBondContact O-N 3.43Å; R149-R151 PolarHBondContact O-N 3.39Å; R149-V152 PolarHBondContact O-N 3.03Å; R149-E153 IonicContact CZ-OE1 3.46Å; R149-E153 IonicContact NE-OE1 3.62Å; R149-E153 IonicContact NH2-OE1 3.37Å; R149-E153 PolarHBondContact NH2-OE1 3.08Å
150	Q	97.8	Very high	97.7	Very high	95 Å²	95	39 Å²	39	44%	0.444	18%	0.182	S	C	.	.	B	Isolated β-bridge	trans	-58.4	117.3	179.4	-177.6	176	3.7	0	0	110.7	C118 T144 S145 T148 V152	C118-Q150 PolarHBondContact SG-OE1 3.42Å; C118-Q150 VanDerWaalsContact SG-OE1 3.33Å; T144-Q150 WeakPolarHBondContact CA-O 3.25Å; S145-Q150 PolarHBondContact N-O 3.32Å; S145-Q150 PolarHBondContact O-N 3.01Å; S145-Q150 VanDerWaalsContact O-N 3.15Å; T148-Q150 PolarHBondContact O-N 2.87Å; T148-Q150 VanDerWaalsContact O-N 3.13Å; T148-Q150 WeakPolarHBondContact OG1-CB 3.05Å; T148-Q150 PolarHBondContact OG1-N 2.95Å; Q150-V152 PolarHBondContact O-N 3.41Å
151	R	97.9	Very high	97.7	Very high	119 Å²	119	41.8 Å²	41.8	45%	0.449	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.7	22.1	173.2	-55.7	-169.6	76.1	-173.5	-0.6	115.5	I142 T144 R149 D154 A155	I142-R151 HydrophobicContact CG2-CB 4.02Å; T144-R151 HydrophobicContact CG2-CB 4.4Å; T144-R151 WeakPolarHBondContact CG2-O 3.47Å; R149-R151 PolarHBondContact O-N 3.39Å; R151-D154 HydrophobicContact CB-CB 4.12Å; R151-D154 WeakPolarHBondContact CG-OD2 3.38Å; R151-D154 IonicContact CZ-OD2 3.7Å; R151-D154 IonicContact NE-OD2 2.91Å; R151-D154 PolarHBondContact NE-OD2 2.84Å; R151-D154 IonicContact NH2-OD2 2.96Å; R151-D154 PolarHBondContact NH2-OD2 3.4Å; R151-D154 PolarHBondContact O-N 3.23Å; R151-A155 PolarHBondContact O-N 3.03Å
152	V	97.6	Very high	97.7	Very high	1 Å²	1	42.3 Å²	42.3	1%	0.006	19%	0.192	C	C	.	.	H	α-helix	trans	-61.6	-50.3	176.8	176.7	0	0	0	0	110	L19 Q22 L23 R149 Q150 D154 A155 F156	L19-V152 HydrophobicContact CD2-CG1 4.27Å; L19-V152 HydrophobicContact CD2-CG2 3.83Å; Q22-V152 HydrophobicContact CB-CG1 4.45Å; Q22-V152 HydrophobicContact CG-CG1 4.43Å; Q22-V152 HydrophobicContact CG-CG2 4.13Å; L23-V152 HydrophobicContact CB-CG1 4.13Å; R149-V152 PolarHBondContact O-N 3.03Å; Q150-V152 PolarHBondContact O-N 3.41Å; V152-D154 PolarHBondContact O-N 2.87Å; V152-A155 WeakPolarHBondContact O-CB 3.07Å; V152-A155 PolarHBondContact O-N 3.37Å; V152-F156 HydrophobicContact CG1-CD2 4.39Å; V152-F156 HydrophobicContact CG1-CE2 4.1Å; V152-F156 VanDerWaalsContact O-CD2 3.3Å; V152-F156 WeakPolarHBondContact O-CD2 3.45Å
153	E	97.2	Very high	97.7	Very high	61 Å²	61	42 Å²	42	29%	0.285	19%	0.19	S	C	.	.	H	α-helix	trans	-60.7	-42.7	177.7	-71.5	174.1	-167.6	0	0	112.2	L23 R149 A155 F156 Y157	L23-E153 HydrophobicContact CD1-CG 3.79Å; R149-E153 IonicContact CZ-OE1 3.46Å; R149-E153 IonicContact NE-OE1 3.62Å; R149-E153 IonicContact NH2-OE1 3.37Å; R149-E153 PolarHBondContact NH2-OE1 3.08Å; E153-A155 PolarHBondContact O-N 3.42Å; E153-F156 PolarHBondContact O-N 2.98Å; E153-Y157 HydrophobicContact CB-CD2 4.29Å; E153-Y157 HydrophobicContact CB-CE2 3.99Å; E153-Y157 HydrophobicContact CG-CE2 4.49Å; E153-Y157 WeakPolarHBondContact O-CB 3.37Å; E153-Y157 WeakPolarHBondContact O-CD1 3.32Å; E153-Y157 PolarHBondContact O-N 2.99Å
154	D	98.1	Very high	97.6	Very high	64 Å²	64	42.2 Å²	42.2	34%	0.342	19%	0.19	S	C	.	.	H	α-helix	trans	-53.3	-41.6	177.6	-66.3	-5	0	0	0	112	I142 R151 V152 S158	I142-D154 HydrophobicContact CD1-CB 4.29Å; I142-D154 WeakPolarHBondContact CD1-O 3.5Å; I142-D154 HydrophobicContact CG2-CB 4.44Å; R151-D154 HydrophobicContact CB-CB 4.12Å; R151-D154 WeakPolarHBondContact CG-OD2 3.38Å; R151-D154 IonicContact CZ-OD2 3.7Å; R151-D154 IonicContact NE-OD2 2.91Å; R151-D154 PolarHBondContact NE-OD2 2.84Å; R151-D154 IonicContact NH2-OD2 2.96Å; R151-D154 PolarHBondContact NH2-OD2 3.4Å; R151-D154 PolarHBondContact O-N 3.23Å; V152-D154 PolarHBondContact O-N 2.87Å; D154-S158 WeakPolarHBondContact O-CB 3.37Å; D154-S158 PolarHBondContact O-N 3.43Å
155	A	98.4	Very high	97.5	Very high	1 Å²	1	46.1 Å²	46.1	1%	0.008	21%	0.21	C	C	.	.	H	α-helix	trans	-61.8	-52.2	-179.4	0	0	0	0	0	112.1	L79 V114 I142 T144 R151 V152 E153 L159	L79-A155 HydrophobicContact CD2-CB 4.3Å; V114-A155 HydrophobicContact CG2-CB 4.1Å; I142-A155 HydrophobicContact CG2-CB 4.42Å; T144-A155 HydrophobicContact CG2-CB 4.02Å; R151-A155 PolarHBondContact O-N 3.03Å; V152-A155 WeakPolarHBondContact O-CB 3.07Å; V152-A155 PolarHBondContact O-N 3.37Å; E153-A155 PolarHBondContact O-N 3.42Å; A155-L159 PolarHBondContact O-N 3.43Å
156	F	98.4	Very high	97.4	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-68.4	-39.1	179.4	-69.1	-90.5	0	0	0	112	L6 V8 L19 L23 I55 L79 V152 E153 L159 V160	L6-F156 HydrophobicContact CD1-CD1 3.95Å; V8-F156 HydrophobicContact CG2-CE1 4.08Å; V8-F156 HydrophobicContact CG2-CZ 4.39Å; L19-F156 HydrophobicContact CB-CE2 4.32Å; L19-F156 HydrophobicContact CB-CZ 4.43Å; L23-F156 HydrophobicContact CB-CD2 4.35Å; L23-F156 HydrophobicContact CB-CE2 4.12Å; L23-F156 HydrophobicContact CD1-CD2 4.16Å; L23-F156 HydrophobicContact CD2-CB 4.1Å; L23-F156 HydrophobicContact CD2-CD1 3.82Å; L23-F156 HydrophobicContact CD2-CD2 3.67Å; L23-F156 HydrophobicContact CD2-CE1 4.11Å; L23-F156 HydrophobicContact CD2-CE2 3.98Å; L23-F156 HydrophobicContact CD2-CG 3.59Å; L23-F156 HydrophobicContact CD2-CZ 4.19Å; L23-F156 HydrophobicContact CG-CD2 4.27Å; I55-F156 HydrophobicContact CD1-CD1 3.95Å; I55-F156 HydrophobicContact CD1-CE1 3.85Å; I55-F156 HydrophobicContact CG2-CE1 3.99Å; L79-F156 HydrophobicContact CD1-CD1 3.45Å; L79-F156 VanDerWaalsContact CD1-CD1 3.45Å; L79-F156 HydrophobicContact CD1-CD2 4.19Å; L79-F156 HydrophobicContact CD1-CE1 3.32Å; L79-F156 HydrophobicContact CD1-CE2 4.09Å; L79-F156 HydrophobicContact CD1-CG 3.9Å; L79-F156 HydrophobicContact CD1-CZ 3.66Å; V152-F156 HydrophobicContact CG1-CD2 4.39Å; V152-F156 HydrophobicContact CG1-CE2 4.1Å; V152-F156 VanDerWaalsContact O-CD2 3.3Å; V152-F156 WeakPolarHBondContact O-CD2 3.45Å; E153-F156 PolarHBondContact O-N 2.98Å; F156-L159 WeakPolarHBondContact O-CB 3.49Å; F156-L159 PolarHBondContact O-N 2.96Å; F156-V160 PolarHBondContact O-N 2.98Å; F156-V160 VanDerWaalsContact O-N 3.09Å
157	Y	98.4	Very high	97.3	Very high	35 Å²	35	51.8 Å²	51.8	14%	0.137	23%	0.231	C	C	.	.	H	α-helix	trans	-72.7	-35.9	-178	-65.2	0.7	0	0	0	111.4	V44 I46 L53 E153 L159 V160 R161	V44-Y157 HydrophobicContact CB-CE1 4.38Å; V44-Y157 HydrophobicContact CG1-CE1 4.4Å; V44-Y157 HydrophobicContact CG2-CE1 4.24Å; I46-Y157 HydrophobicContact CD1-CD1 3.39Å; I46-Y157 HydrophobicContact CD1-CE1 3.83Å; I46-Y157 HydrophobicContact CD1-CG 3.9Å; I46-Y157 HydrophobicContact CG1-CD1 3.7Å; I46-Y157 HydrophobicContact CG1-CD2 4.19Å; I46-Y157 HydrophobicContact CG1-CE1 3.88Å; I46-Y157 HydrophobicContact CG1-CE2 4.34Å; I46-Y157 HydrophobicContact CG1-CG 3.87Å; I46-Y157 HydrophobicContact CG2-CG 4.34Å; L53-Y157 HydrophobicContact CD1-CE1 4.44Å; E153-Y157 HydrophobicContact CB-CD2 4.29Å; E153-Y157 HydrophobicContact CB-CE2 3.99Å; E153-Y157 HydrophobicContact CG-CE2 4.49Å; E153-Y157 WeakPolarHBondContact O-CB 3.37Å; E153-Y157 WeakPolarHBondContact O-CD1 3.32Å; E153-Y157 PolarHBondContact O-N 2.99Å; Y157-L159 VanDerWaalsContact C-N 3.27Å; Y157-L159 PolarHBondContact O-N 3.3Å; Y157-V160 PolarHBondContact O-N 3.38Å; Y157-R161 WeakPolarHBondContact O-CG 3.39Å; Y157-R161 PolarHBondContact O-N 2.97Å
158	S	98.6	Very high	97.2	Very high	19 Å²	19	51.4 Å²	51.4	13%	0.133	23%	0.234	C	C	.	.	H	α-helix	trans	-59.5	-40.5	170.6	-168.3	0	0	0	0	111.2	D154 R161 E162	D154-S158 WeakPolarHBondContact O-CB 3.37Å; D154-S158 PolarHBondContact O-N 3.43Å; S158-R161 WeakPolarHBondContact O-CB 3.05Å; S158-R161 PolarHBondContact O-N 3.45Å; S158-E162 PolarHBondContact O-N 3.31Å
159	L	98.6	Very high	97	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-65.5	-40.4	177.4	-178.1	60.6	0	0	0	112.3	L6 L79 P110 V112 A155 F156 Y157 R161 E162 I163	L6-L159 HydrophobicContact CB-CD2 4.27Å; L6-L159 HydrophobicContact CD1-CD2 4.49Å; L6-L159 HydrophobicContact CD2-CD2 3.85Å; L6-L159 HydrophobicContact CD2-CG 4.11Å; L6-L159 HydrophobicContact CG-CD2 4.42Å; L79-L159 HydrophobicContact CD2-CB 4.31Å; L79-L159 HydrophobicContact CD2-CD2 4.21Å; L79-L159 HydrophobicContact CG-CD2 3.81Å; P110-L159 HydrophobicContact CB-CD1 4.35Å; V112-L159 HydrophobicContact CG2-CB 3.97Å; V112-L159 HydrophobicContact CG2-CD1 4.15Å; A155-L159 PolarHBondContact O-N 3.43Å; F156-L159 WeakPolarHBondContact O-CB 3.49Å; F156-L159 PolarHBondContact O-N 2.96Å; Y157-L159 VanDerWaalsContact C-N 3.27Å; Y157-L159 PolarHBondContact O-N 3.3Å; L159-R161 VanDerWaalsContact C-N 3.27Å; L159-R161 PolarHBondContact O-N 2.84Å; L159-E162 PolarHBondContact O-N 3.07Å; L159-I163 HydrophobicContact CG-CD1 4.36Å; L159-I163 WeakPolarHBondContact O-CG1 3.19Å; L159-I163 PolarHBondContact O-N 3.06Å
160	V	98.4	Very high	96.6	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-59.4	-40.6	173.7	171.4	0	0	0	0	111.2	Y4 L6 I46 L53 F156 Y157 I163 R164	Y4-V160 HydrophobicContact CD1-CG1 4.42Å; Y4-V160 HydrophobicContact CD2-CG1 3.78Å; Y4-V160 HydrophobicContact CD2-CG2 4.2Å; Y4-V160 HydrophobicContact CE1-CG1 4.21Å; Y4-V160 HydrophobicContact CE2-CG1 3.54Å; Y4-V160 HydrophobicContact CG-CG1 4.22Å; Y4-V160 HydrophobicContact CG-CG2 4.27Å; L6-V160 HydrophobicContact CD1-CG2 4.3Å; L6-V160 HydrophobicContact CD2-CG2 4.4Å; I46-V160 HydrophobicContact CD1-CB 3.89Å; I46-V160 HydrophobicContact CD1-CG1 3.92Å; I46-V160 HydrophobicContact CD1-CG2 3.73Å; I46-V160 HydrophobicContact CG2-CG1 4.48Å; L53-V160 HydrophobicContact CD2-CG2 3.67Å; F156-V160 PolarHBondContact O-N 2.98Å; F156-V160 VanDerWaalsContact O-N 3.09Å; Y157-V160 PolarHBondContact O-N 3.38Å; V160-I163 PolarHBondContact O-N 3.39Å; V160-R164 WeakPolarHBondContact O-CG 3.42Å; V160-R164 PolarHBondContact O-N 3.2Å
161	R	98.4	Very high	96	Very high	92 Å²	92	52.4 Å²	52.4	35%	0.347	24%	0.237	S	C	.	.	H	α-helix	trans	-63.1	-42.5	175	-66.9	173.9	-170.9	126	-2	111.9	D47 Y157 S158 L159 I163 R164 L165	D47-R161 IonicContact OD1-CZ 2.77Å; D47-R161 IonicContact OD1-NE 3.73Å; D47-R161 PolarHBondContact OD1-NE 3.25Å; D47-R161 IonicContact OD1-NH2 2.61Å; D47-R161 PolarHBondContact OD1-NH2 3.11Å; D47-R161 IonicContact OD2-CZ 2.74Å; D47-R161 IonicContact OD2-NE 3.49Å; D47-R161 PolarHBondContact OD2-NE 3.02Å; D47-R161 IonicContact OD2-NH2 2.86Å; Y157-R161 WeakPolarHBondContact O-CG 3.39Å; Y157-R161 PolarHBondContact O-N 2.97Å; S158-R161 WeakPolarHBondContact O-CB 3.05Å; S158-R161 PolarHBondContact O-N 3.45Å; L159-R161 VanDerWaalsContact C-N 3.27Å; L159-R161 PolarHBondContact O-N 2.84Å; R161-I163 VanDerWaalsContact C-N 3.34Å; R161-I163 PolarHBondContact O-N 3.04Å; R161-R164 WeakPolarHBondContact O-CB 3.32Å; R161-R164 PolarHBondContact O-N 2.59Å; R161-L165 WeakPolarHBondContact O-CG 3.35Å; R161-L165 PolarHBondContact O-N 2.85Å
162	E	98.4	Very high	95.3	Very high	48 Å²	48	49.1 Å²	49.1	22%	0.224	23%	0.232	C	C	.	.	H	α-helix	trans	-60.9	-41.3	174.3	-68.9	-53.7	125.5	0	0	112.1	P110 V112 P140 S158 L159 R164 L165 Y166	P110-E162 HydrophobicContact CB-CB 4.07Å; V112-E162 HydrophobicContact CG2-CG 4.31Å; P140-E162 HydrophobicContact CG-CG 3.91Å; S158-E162 PolarHBondContact O-N 3.31Å; L159-E162 PolarHBondContact O-N 3.07Å; E162-R164 PolarHBondContact O-N 3.34Å; E162-L165 PolarHBondContact O-N 3.01Å; E162-Y166 WeakPolarHBondContact O-CB 3.37Å; E162-Y166 PolarHBondContact O-N 3.08Å
163	I	98.1	Very high	94.4	Very high	2 Å²	2	55.8 Å²	55.8	1%	0.01	26%	0.261	C	S	.	.	H	α-helix	trans	-62.7	-43.8	175.3	-63.7	165.4	0	0	0	110.8	Y4 L6 E76 P110 L159 V160 R161 Y166 R167	Y4-I163 HydrophobicContact CD1-CB 4.31Å; Y4-I163 HydrophobicContact CD1-CD1 4.28Å; Y4-I163 HydrophobicContact CD1-CG2 3.84Å; Y4-I163 HydrophobicContact CE1-CB 4.46Å; Y4-I163 HydrophobicContact CE1-CG2 3.98Å; L6-I163 HydrophobicContact CD2-CD1 3.42Å; L6-I163 VanDerWaalsContact CD2-CD1 3.42Å; E76-I163 HydrophobicContact CB-CD1 4.07Å; E76-I163 HydrophobicContact CB-CG1 4.48Å; E76-I163 HydrophobicContact CB-CG2 4.34Å; P110-I163 HydrophobicContact CB-CG1 3.73Å; P110-I163 HydrophobicContact CG-CG1 4.06Å; L159-I163 HydrophobicContact CG-CD1 4.36Å; L159-I163 WeakPolarHBondContact O-CG1 3.19Å; L159-I163 PolarHBondContact O-N 3.06Å; V160-I163 PolarHBondContact O-N 3.39Å; R161-I163 VanDerWaalsContact C-N 3.34Å; R161-I163 PolarHBondContact O-N 3.04Å; I163-Y166 PolarHBondContact O-N 3.36Å; I163-R167 HydrophobicContact CG2-CG 4.42Å; I163-R167 WeakPolarHBondContact O-CG 3.15Å; I163-R167 PolarHBondContact O-N 3.37Å
164	R	97.2	Very high	93.2	Very high	40 Å²	40	59.1 Å²	59.1	15%	0.151	28%	0.277	C	S	.	.	H	α-helix	trans	-58.8	-48.1	175.7	-72.4	169.5	172.6	172.1	-3.9	111.1	Y4 I46 D47 E49 V160 R161 E162 Y166 R167 L168	Y4-R164 HydrophobicContact CE1-CG 4.3Å; Y4-R164 WeakPolarHBondContact OH-CG 3.35Å; Y4-R164 PolarHBondContact OH-NE 3.46Å; I46-R164 PolarHBondContact O-NH1 3.46Å; I46-R164 PolarHBondContact O-NH2 3.38Å; I46-R164 VanDerWaalsContact O-NH2 3.15Å; D47-R164 IonicContact OD2-NH1 3.73Å; D47-R164 PolarHBondContact OD2-NH1 3.46Å; E49-R164 IonicContact OE2-CZ 3.34Å; E49-R164 IonicContact OE2-NE 3.32Å; E49-R164 PolarHBondContact OE2-NE 2.96Å; E49-R164 IonicContact OE2-NH2 3.51Å; E49-R164 PolarHBondContact OE2-NH2 3.03Å; V160-R164 WeakPolarHBondContact O-CG 3.42Å; V160-R164 PolarHBondContact O-N 3.2Å; R161-R164 WeakPolarHBondContact O-CB 3.32Å; R161-R164 PolarHBondContact O-N 2.59Å; E162-R164 PolarHBondContact O-N 3.34Å; R164-Y166 VanDerWaalsContact C-N 3.34Å; R164-Y166 PolarHBondContact O-N 3.39Å; R164-R167 PolarHBondContact O-N 3.3Å; R164-L168 WeakPolarHBondContact O-CG 3.15Å; R164-L168 PolarHBondContact O-N 3.08Å
165	L	96.2	Very high	91.7	Very high	81 Å²	81	64 Å²	64	42%	0.424	30%	0.298	S	S	.	.	H	α-helix	trans	-59.9	-43.5	177.6	-71.3	174.6	0	0	0	111.9	R161 E162 L168 K169	R161-L165 WeakPolarHBondContact O-CG 3.35Å; R161-L165 PolarHBondContact O-N 2.85Å; E162-L165 PolarHBondContact O-N 3.01Å; L165-L168 PolarHBondContact O-N 3.48Å; L165-K169 WeakPolarHBondContact O-CG 3.44Å; L165-K169 PolarHBondContact O-N 2.95Å
166	Y	95.9	Very high	89.8	Confident	43 Å²	43	72.3 Å²	72.3	17%	0.169	33%	0.333	C	S	.	.	H	α-helix	trans	-62.3	-46.4	177.4	175.9	-104.6	0	0	0	112.7	D108 P110 E162 I163 R164 L168 K169 K170	D108-Y166 HydrophobicContact CB-CE2 4.31Å; D108-Y166 WeakPolarHBondContact O-CD2 3.27Å; D108-Y166 WeakPolarHBondContact O-CE2 3.48Å; P110-Y166 HydrophobicContact CG-CD1 4.08Å; P110-Y166 HydrophobicContact CG-CG 3.83Å; E162-Y166 WeakPolarHBondContact O-CB 3.37Å; E162-Y166 PolarHBondContact O-N 3.08Å; I163-Y166 PolarHBondContact O-N 3.36Å; R164-Y166 VanDerWaalsContact C-N 3.34Å; R164-Y166 PolarHBondContact O-N 3.39Å; Y166-L168 VanDerWaalsContact C-N 3.32Å; Y166-L168 PolarHBondContact O-N 3.08Å; Y166-K169 PolarHBondContact O-N 3.04Å; Y166-K170 HydrophobicContact CE1-CD 3.77Å; Y166-K170 HydrophobicContact CE1-CG 4.47Å; Y166-K170 VanDerWaalsContact CZ-CE 3.48Å; Y166-K170 PolarHBondContact O-N 3.36Å; Y166-K170 WeakPolarHBondContact OH-CE 3.42Å; Y166-K170 PolarHBondContact OH-NZ 3.34Å
167	R	94.3	Very high	87.6	Confident	81 Å²	81	76.8 Å²	76.8	31%	0.306	36%	0.361	S	S	.	.	H	α-helix	trans	-59.8	-42	176.6	-71.5	178.4	-179.5	175.9	3.6	111.3	E3 E76 I163 R164 K170 L171	E3-R167 PolarHBondContact O-NH2 2.69Å; E76-R167 VanDerWaalsContact CD-NH2 3.29Å; E76-R167 IonicContact OE1-NH2 2.85Å; E76-R167 PolarHBondContact OE1-NH2 3.23Å; E76-R167 IonicContact OE2-CZ 3.36Å; E76-R167 IonicContact OE2-NE 3.7Å; E76-R167 PolarHBondContact OE2-NE 3.45Å; E76-R167 IonicContact OE2-NH2 3.48Å; E76-R167 PolarHBondContact OE2-NH2 2.98Å; I163-R167 HydrophobicContact CG2-CG 4.42Å; I163-R167 WeakPolarHBondContact O-CG 3.15Å; I163-R167 PolarHBondContact O-N 3.37Å; R164-R167 PolarHBondContact O-N 3.3Å; R167-K170 PolarHBondContact O-N 3.09Å; R167-L171 WeakPolarHBondContact O-CG 3.43Å; R167-L171 PolarHBondContact O-N 3.18Å
168	L	92.4	Very high	85.3	Confident	111 Å²	111	80.9 Å²	80.9	58%	0.581	39%	0.392	S	S	*	.	H	α-helix	trans	-62.9	-44.4	176	-70.5	171	0	0	0	112.5	R164 L165 Y166 K170 L171 S172	R164-L168 WeakPolarHBondContact O-CG 3.15Å; R164-L168 PolarHBondContact O-N 3.08Å; L165-L168 PolarHBondContact O-N 3.48Å; Y166-L168 VanDerWaalsContact C-N 3.32Å; Y166-L168 PolarHBondContact O-N 3.08Å; L168-K170 VanDerWaalsContact C-N 3.31Å; L168-K170 PolarHBondContact O-N 3.22Å; L168-L171 PolarHBondContact O-N 3.18Å; L168-S172 PolarHBondContact O-N 3.31Å; L168-S172 VanDerWaalsContact O-N 3.16Å
169	K	91.1	Very high	83.3	Confident	98 Å²	98	91.1 Å²	91.1	43%	0.426	43%	0.427	S	S	.	.	H	α-helix	trans	-60.3	-41	176.5	-72.9	174.4	-173.6	173.1	0	111.7	L165 Y166 S172 K173	L165-K169 WeakPolarHBondContact O-CG 3.44Å; L165-K169 PolarHBondContact O-N 2.95Å; Y166-K169 PolarHBondContact O-N 3.04Å; K169-S172 PolarHBondContact O-N 3.16Å; K169-S172 PolarHBondContact O-OG 3.46Å; K169-K173 PolarHBondContact O-N 3.24Å
170	K	87.4	Confident	81.1	Confident	105 Å²	105	97 Å²	97	46%	0.457	47%	0.467	S	S	.	.	H	α-helix	trans	-61.5	-48.1	177.4	-89.9	-170.5	158.5	173.4	0	112.5	Y166 R167 L168 S172 K173 E174	Y166-K170 HydrophobicContact CE1-CD 3.77Å; Y166-K170 HydrophobicContact CE1-CG 4.47Å; Y166-K170 VanDerWaalsContact CZ-CE 3.48Å; Y166-K170 PolarHBondContact O-N 3.36Å; Y166-K170 WeakPolarHBondContact OH-CE 3.42Å; Y166-K170 PolarHBondContact OH-NZ 3.34Å; R167-K170 PolarHBondContact O-N 3.09Å; L168-K170 VanDerWaalsContact C-N 3.31Å; L168-K170 PolarHBondContact O-N 3.22Å; K170-S172 VanDerWaalsContact C-N 3.3Å; K170-S172 PolarHBondContact O-N 2.99Å; K170-K173 PolarHBondContact O-N 3.04Å; K170-K173 VanDerWaalsContact O-N 3.11Å; K170-E174 PolarHBondContact O-N 3.37Å
171	L	86.3	Confident	79	Confident	100 Å²	100	102.5 Å²	102.5	52%	0.524	50%	0.5	S	S	.	.	H	α-helix	trans	-56.6	-44.7	177.3	-70	165.5	0	0	0	111.6	R167 L168 K173 E174 E175	R167-L171 WeakPolarHBondContact O-CG 3.43Å; R167-L171 PolarHBondContact O-N 3.18Å; L168-L171 PolarHBondContact O-N 3.18Å; L171-K173 PolarHBondContact O-N 2.76Å; L171-E174 PolarHBondContact O-N 2.79Å; L171-E175 PolarHBondContact O-N 3.47Å
172	S	82.9	Confident	76.9	Confident	49 Å²	49	107.2 Å²	107.2	34%	0.343	52%	0.523	S	S	.	.	H	α-helix	trans	-65.5	-22.7	179.9	76.1	0	0	0	0	114.9	L168 K169 K170 K176	L168-S172 PolarHBondContact O-N 3.31Å; L168-S172 VanDerWaalsContact O-N 3.16Å; K169-S172 PolarHBondContact O-N 3.16Å; K169-S172 PolarHBondContact O-OG 3.46Å; K170-S172 VanDerWaalsContact C-N 3.3Å; K170-S172 PolarHBondContact O-N 2.99Å; S172-K176 WeakPolarHBondContact O-CG 3.4Å
173	K	77	Confident	74.8	Confident	142 Å²	142	112.6 Å²	112.6	62%	0.617	55%	0.553	S	S	*	*	H	α-helix	trans	-81.6	-37.8	177.2	-74.8	180	-179.8	177.5	0	111.3	K169 K170 L171 K176	K169-K173 PolarHBondContact O-N 3.24Å; K170-K173 PolarHBondContact O-N 3.04Å; K170-K173 VanDerWaalsContact O-N 3.11Å; L171-K173 PolarHBondContact O-N 2.76Å; K173-K176 PolarHBondContact O-N 3.47Å
174	E	72.6	Confident	72.6	Confident	131 Å²	131	121.8 Å²	121.8	61%	0.612	59%	0.593	S	S	*	*	H	α-helix	trans	-68.2	-34.5	179.3	-69.5	177.3	-179.8	0	0	112.4	K170 L171 K176 T177	K170-E174 PolarHBondContact O-N 3.37Å; L171-E174 PolarHBondContact O-N 2.79Å; E174-K176 VanDerWaalsContact C-N 3.26Å; E174-K176 PolarHBondContact O-N 3.04Å; E174-T177 PolarHBondContact O-N 3.16Å; E174-T177 PolarHBondContact O-OG1 3.45Å
175	E	66	Low	70.3	Confident	167 Å²	167	129.4 Å²	129.4	78%	0.78	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.2	-23.9	175.5	-69.2	178.8	149.2	0	0	113.4	L171	L171-E175 PolarHBondContact O-N 3.47Å
176	K	60.5	Low	68.2	Low	174 Å²	174	131 Å²	131	76%	0.757	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89	-10.4	-179.1	-70.7	-180	-178.6	179.8	0	114	S172 K173 E174 P178	S172-K176 WeakPolarHBondContact O-CG 3.4Å; K173-K176 PolarHBondContact O-N 3.47Å; E174-K176 VanDerWaalsContact C-N 3.26Å; E174-K176 PolarHBondContact O-N 3.04Å; K176-P178 WeakPolarHBondContact O-CD 3.47Å
177	T	50.2	Low	66.3	Low	95 Å²	95	135.3 Å²	135.3	58%	0.583	67%	0.674	S	S	*	*	S	Bend	trans	-76.7	116.9	172.2	18.2	0	0	0	0	110.3	E174 R179	E174-T177 PolarHBondContact O-N 3.16Å; E174-T177 PolarHBondContact O-OG1 3.45Å; T177-R179 PolarHBondContact O-N 3.32Å; T177-R179 VanDerWaalsContact O-N 3.11Å
178	P	50.7	Low	64.4	Low	120 Å²	120	137.1 Å²	137.1	78%	0.779	69%	0.694	S	S	*	*			trans	-62.6	120.2	177.2	24.9	-31.4	0	0	0	108.8	K176 C180	K176-P178 WeakPolarHBondContact O-CD 3.47Å; P178-C180 PolarHBondContact O-N 3.18Å
179	R	56.8	Low	61.9	Low	235 Å²	235	143.8 Å²	143.8	89%	0.887	73%	0.725	S	S	*	*			trans	-59.4	104.8	168.7	-79	-178.2	176.4	178.2	0.4	107.3	T177 V181	T177-R179 PolarHBondContact O-N 3.32Å; T177-R179 VanDerWaalsContact O-N 3.11Å; R179-V181 PolarHBondContact O-N 3.22Å
180	C	53	Low	60.5	Low	123 Å²	123	146.1 Å²	146.1	83%	0.831	74%	0.74	S	S	*	*			trans	-66.3	92.6	169.2	-158.8	0	0	0	0	106.9	P178 K182	P178-C180 PolarHBondContact O-N 3.18Å; C180-K182 PolarHBondContact O-N 3.47Å
181	V	54.8	Low	59.1	Low	115 Å²	115	148.3 Å²	148.3	70%	0.697	76%	0.755	S	S	*	*			trans	-64.4	101.3	174.9	-176.5	0	0	0	0	105.9	R179 L183	R179-V181 PolarHBondContact O-N 3.22Å; V181-L183 VanDerWaalsContact C-N 3.26Å; V181-L183 PolarHBondContact O-N 3.12Å
182	K	54.3	Low	57.6	Low	192 Å²	192	150.9 Å²	150.9	84%	0.835	77%	0.768	S	S	*	*			trans	-61	95.2	167.9	-73.4	-176.4	178.4	179.4	0	107.1	C180 K184	C180-K182 PolarHBondContact O-N 3.47Å; K182-K184 PolarHBondContact O-N 3.04Å
183	L	54	Low	56.1	Low	161 Å²	161	156.9 Å²	156.9	84%	0.843	79%	0.793	S	S	*	*			trans	-55.6	104.1	165.8	-86.7	140.9	0	0	0	106.8	V181 K185	V181-L183 VanDerWaalsContact C-N 3.26Å; V181-L183 PolarHBondContact O-N 3.12Å; L183-K185 PolarHBondContact O-N 2.69Å
184	K	50.4	Low	54.8	Low	194 Å²	194	157.9 Å²	157.9	84%	0.843	80%	0.804	S	S	*	*			trans	-59.2	113.2	167.1	-72.8	-176.5	177.3	-178.8	0	105.9	K182 C186	K182-K184 PolarHBondContact O-N 3.04Å; K184-C186 PolarHBondContact O-N 2.67Å
185	K	49.2	Very low	53.6	Low	200 Å²	200	159.7 Å²	159.7	87%	0.87	82%	0.817	S	S	*	*			trans	-58.9	104.9	166.7	-84.2	-177.9	172.4	-178.3	0	107.1	L183 V187	L183-K185 PolarHBondContact O-N 2.69Å; K185-V187 PolarHBondContact O-N 3.23Å; K185-V187 VanDerWaalsContact O-N 3.16Å
186	C	52	Low	52.7	Low	115 Å²	115	159.1 Å²	159.1	78%	0.777	82%	0.819	S	S	*	*			trans	-63.4	107.7	159.1	-79.2	0	0	0	0	106.9	K184 V188	K184-C186 PolarHBondContact O-N 2.67Å; C186-V188 HydrophobicContact CB-CG2 4.45Å; C186-V188 PolarHBondContact O-N 3.27Å
187	V	57.1	Low	52.1	Low	134 Å²	134	158 Å²	158	81%	0.812	82%	0.824	S	S	*	*			trans	-78.5	109.1	160.4	179.5	0	0	0	0	105.3	K185	K185-V187 PolarHBondContact O-N 3.23Å; K185-V187 VanDerWaalsContact O-N 3.16Å
188	V	53.9	Low	52.3	Low	119 Å²	119	163.3 Å²	163.3	72%	0.721	84%	0.844	S	S	*	*			trans	-100.7	124.7	167.7	177.6	0	0	0	0	106.7	C186	C186-V188 HydrophobicContact CB-CG2 4.45Å; C186-V188 PolarHBondContact O-N 3.27Å
189	M	40.7	Very low	52.4	Low	251 Å²	251	167.2 Å²	167.2	100%	1.236	85%	0.85	S	S	*	*			trans	69.2	0	169	-74.6	177.1	160.5	0	0	118.1

Retrieved 189 of 189 residues in 565.2 ms (Link to these results)

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