A0A5K4F705_SCHMA Loading...

Ras family protein AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4F705, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 162 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	54.5	Low	85.8	Confident	239 Å²	239	99.4 Å²	99.4	100%	1.177	52%	0.521	S	S	*	.				0	129.5	0	-63.3	-175.9	-54.5	0	0	107
2	A	75.3	Confident	86.4	Confident	100 Å²	100	91.1 Å²	91.1	83%	0.826	48%	0.477	S	S	*	.	P	Polyproline II helix	trans	-68.2	141.2	171.5	0	0	0	0	0	109
3	L	76.8	Confident	87	Confident	155 Å²	155	84.2 Å²	84.2	81%	0.812	44%	0.441	S	S	*	.	P	Polyproline II helix	trans	-63.1	148.6	170.5	-69.5	172.1	0	0	0	109.1	L5	L3-L5 PolarHBondContact O-N 3.38Å
4	P	84.5	Confident	87.5	Confident	119 Å²	119	78.4 Å²	78.4	77%	0.773	41%	0.412	S	S	*	.	P	Polyproline II helix	trans	-57.7	141.6	171.2	26.3	-33.3	0	0	0	109.4
5	L	87.4	Confident	87.7	Confident	70 Å²	70	75.4 Å²	75.4	37%	0.366	40%	0.398	S	S	.	.	P	Polyproline II helix	trans	-64.6	147.6	173.8	-60.6	178.4	0	0	0	109.4	L3 R7 K47 D54	L3-L5 PolarHBondContact O-N 3.38Å; L5-R7 PolarHBondContact O-N 2.84Å; L5-K47 HydrophobicContact CD1-CD 3.9Å; L5-K47 HydrophobicContact CD1-CG 4.04Å; L5-D54 HydrophobicContact CD1-CB 4.4Å; L5-D54 HydrophobicContact CD2-CB 4Å
6	E	92.3	Very high	87.8	Confident	145 Å²	145	71.4 Å²	71.4	68%	0.678	38%	0.381	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-57.7	137.2	164.7	-177.9	177.7	179.5	0	0	108.9	V55 E56	E6-V55 HydrophobicContact CB-CG1 4.38Å; E6-V55 WeakPolarHBondContact O-CA 3.27Å; E6-E56 PolarHBondContact O-N 3.04Å
7	R	94	Very high	87.9	Confident	108 Å²	108	72.2 Å²	72.2	41%	0.408	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	128.7	-179.2	-170.3	-178.1	-75.9	163.9	-2.6	110.1	L5 Y9 E56	L5-R7 PolarHBondContact O-N 2.84Å; R7-Y9 HydrophobicContact CB-CE2 4.27Å; R7-Y9 VanDerWaalsContact CD-OH 3.29Å; R7-Y9 WeakPolarHBondContact CD-OH 3.5Å; R7-Y9 HydrophobicContact CG-CE1 4.4Å; R7-Y9 HydrophobicContact CG-CE2 4.03Å; R7-Y9 PolarHBondContact NH1-OH 3.31Å; R7-E56 CarbonylContact C-O 3.6Å; R7-E56 WeakPolarHBondContact CA-O 3.32Å; R7-E56 HydrophobicContact CG-CB 4.3Å; R7-E56 VanDerWaalsContact CG-O 3.3Å; R7-E56 WeakPolarHBondContact CG-O 3.27Å; R7-E56 IonicContact CZ-OE1 3.13Å; R7-E56 IonicContact NE-OE1 2.79Å; R7-E56 PolarHBondContact NE-OE1 2.61Å; R7-E56 IonicContact NH2-OE1 2.68Å; R7-E56 PolarHBondContact NH2-OE1 3.28Å
8	I	95.1	Very high	88.2	Confident	40 Å²	40	68.2 Å²	68.2	21%	0.205	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	126.7	177.5	-57.6	175.3	0	0	0	108.3	L10 L50 V55 E56 V57 S58 D80	I8-L10 HydrophobicContact CG2-CD2 3.9Å; I8-L10 HydrophobicContact CG2-CG 4.25Å; I8-L50 HydrophobicContact CD1-CD1 3.94Å; I8-V55 HydrophobicContact CD1-CB 4.41Å; I8-V55 HydrophobicContact CD1-CG2 4.05Å; I8-E56 PolarHBondContact N-O 2.98Å; I8-V57 HydrophobicContact CB-CG2 4.45Å; I8-S58 PolarHBondContact O-N 2.96Å; I8-D80 WeakPolarHBondContact CA-OD2 3.35Å; I8-D80 HydrophobicContact CG2-CB 4.09Å
9	Y	94.5	Very high	88.5	Confident	99 Å²	99	65.4 Å²	65.4	39%	0.388	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	115.3	-179.9	-62.6	-92.2	0	0	0	111.1	R7 S58 C79 D80 G81	R7-Y9 HydrophobicContact CB-CE2 4.27Å; R7-Y9 VanDerWaalsContact CD-OH 3.29Å; R7-Y9 WeakPolarHBondContact CD-OH 3.5Å; R7-Y9 HydrophobicContact CG-CE1 4.4Å; R7-Y9 HydrophobicContact CG-CE2 4.03Å; R7-Y9 PolarHBondContact NH1-OH 3.31Å; Y9-S58 CarbonylContact C-O 3.59Å; Y9-S58 WeakPolarHBondContact CA-O 3.49Å; Y9-C79 CarbonylContact O-C 3.58Å; Y9-D80 WeakPolarHBondContact CD2-OD2 2.95Å; Y9-D80 PolarHBondContact N-OD2 2.92Å; Y9-D80 PolarHBondContact O-N 3.29Å; Y9-G81 PolarHBondContact O-N 3.06Å
10	L	95.4	Very high	88.8	Confident	18 Å²	18	62.7 Å²	62.7	9%	0.094	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	132.2	-179.9	-57.6	179.3	0	0	0	110.5	I8 V57 S58 V59 L60 G81 I83 I161	I8-L10 HydrophobicContact CG2-CD2 3.9Å; I8-L10 HydrophobicContact CG2-CG 4.25Å; L10-V57 HydrophobicContact CD1-CG1 3.69Å; L10-V57 HydrophobicContact CG-CG1 4.25Å; L10-S58 PolarHBondContact N-O 3.34Å; L10-V59 HydrophobicContact CB-CG2 4.47Å; L10-L60 PolarHBondContact O-N 2.89Å; L10-G81 WeakPolarHBondContact CA-O 3.41Å; L10-I83 HydrophobicContact CB-CD1 4.38Å; L10-I83 HydrophobicContact CD1-CD1 4.18Å; L10-I161 HydrophobicContact CD1-CG2 3.97Å; L10-I161 VanDerWaalsContact CD1-O 3.24Å; L10-I161 WeakPolarHBondContact CD1-O 3.24Å
11	G	93.7	Very high	88.9	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	124.2	173.2	0	0	0	0	0	112.3	G81 F82 I83	G11-G81 PolarHBondContact N-O 3.42Å; G11-F82 WeakPolarHBondContact O-CA 3.29Å; G11-I83 PolarHBondContact O-N 2.82Å
12	M	93.8	Very high	90.8	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	118.4	170.8	-62.4	-64.4	-68.6	0	0	110.3	K20 L23 V59 L60 T62 I83 V85	M12-K20 HydrophobicContact CB-CB 4.32Å; M12-K20 HydrophobicContact CB-CD 4.23Å; M12-K20 HydrophobicContact CE-CB 4.27Å; M12-L23 HydrophobicContact CE-CB 4.31Å; M12-L23 HydrophobicContact CE-CD1 4.44Å; M12-V59 HydrophobicContact CG-CG1 3.33Å; M12-V59 HydrophobicContact SD-CG1 3.93Å; M12-L60 PolarHBondContact N-O 2.9Å; M12-T62 PolarHBondContact O-OG1 3.09Å; M12-I83 HydrophobicContact CE-CB 4.5Å; M12-I83 HydrophobicContact CE-CG2 4.14Å; M12-I83 HydrophobicContact SD-CB 3.77Å; M12-I83 HydrophobicContact SD-CD1 3.54Å; M12-I83 VanDerWaalsContact SD-CD1 3.54Å; M12-I83 HydrophobicContact SD-CG1 4.29Å; M12-I83 HydrophobicContact SD-CG2 4.02Å; M12-V85 HydrophobicContact CE-CG2 3.64Å
13	L	93.9	Very high	91.7	Very high	1 Å²	1	45.9 Å²	45.9	1%	0.005	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	159.3	179.9	-57.3	-178	0	0	0	110.8	K20 I71 Y76 F82 I83 I84 V85 F100 I104	L13-K20 WeakPolarHBondContact O-CD 3.47Å; L13-I71 HydrophobicContact CD2-CB 4.06Å; L13-I71 HydrophobicContact CD2-CD1 3.65Å; L13-I71 HydrophobicContact CD2-CG1 4.42Å; L13-I71 HydrophobicContact CD2-CG2 3.38Å; L13-Y76 HydrophobicContact CD1-CE1 3.74Å; L13-Y76 HydrophobicContact CD2-CE1 4.23Å; L13-F82 HydrophobicContact CD1-CB 4.11Å; L13-F82 HydrophobicContact CD1-CD1 3.76Å; L13-F82 HydrophobicContact CD1-CG 4.08Å; L13-F82 HydrophobicContact CG-CD1 4.16Å; L13-I83 PolarHBondContact N-O 3.33Å; L13-I84 HydrophobicContact CB-CG1 4.2Å; L13-I84 HydrophobicContact CB-CG2 4.46Å; L13-I84 HydrophobicContact CD1-CG1 4.21Å; L13-V85 PolarHBondContact O-N 3.06Å; L13-F100 HydrophobicContact CB-CB 4.5Å; L13-F100 HydrophobicContact CB-CD1 3.9Å; L13-F100 HydrophobicContact CB-CE1 4.38Å; L13-F100 HydrophobicContact CB-CG 4.16Å; L13-F100 HydrophobicContact CD1-CB 4.25Å; L13-F100 HydrophobicContact CD1-CD1 4.37Å; L13-F100 HydrophobicContact CD2-CD1 4.39Å; L13-F100 HydrophobicContact CG-CD1 4.46Å; L13-I104 HydrophobicContact CD1-CD1 3.85Å; L13-I104 HydrophobicContact CD1-CG1 4.27Å
14	G	94	Very high	92.6	Very high	3 Å²	3	38.5 Å²	38.5	3%	0.031	21%	0.208	C	C	.	.			trans	133.1	154.8	-176.5	0	0	0	0	0	111.9	K20 V85 F100	G14-K20 PolarHBondContact O-NZ 2.83Å; G14-V85 WeakPolarHBondContact CA-O 3.39Å; G14-F100 VanDerWaalsContact C-CZ 3.42Å; G14-F100 VanDerWaalsContact CA-CE2 3.44Å
15	V	91	Very high	93	Very high	34 Å²	34	34.4 Å²	34.4	21%	0.206	18%	0.179	C	C	.	.			trans	-64	173.5	179	-59.3	0	0	0	0	111.8	V18 K20 S93 A96 F100	V15-V18 HydrophobicContact CG2-CG1 3.54Å; V15-V18 WeakPolarHBondContact O-CG2 3.49Å; V15-K20 PolarHBondContact O-NZ 3.3Å; V15-S93 VanDerWaalsContact CG2-CB 3.44Å; V15-A96 HydrophobicContact CG1-CB 3.49Å; V15-A96 VanDerWaalsContact CG1-CB 3.49Å; V15-F100 HydrophobicContact CG1-CE2 4.26Å; V15-F100 HydrophobicContact CG1-CZ 4.44Å
16	G	88.4	Confident	93.3	Very high	12 Å²	12	31.7 Å²	31.7	12%	0.124	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	151.8	173.8	0	0	0	0	0	112.5	V18 G64	G16-V18 PolarHBondContact O-N 3.39Å; G16-G64 PolarHBondContact N-O 3.21Å; G16-G64 VanDerWaalsContact N-O 3.1Å
17	T	89.3	Confident	93.5	Very high	84 Å²	84	25.1 Å²	25.1	52%	0.515	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.6	-0.5	169.3	78.3	0	0	0	0	117.9	G19 K121	T17-G19 PolarHBondContact O-N 3.05Å; T17-K121 VanDerWaalsContact O-CE 3.25Å; T17-K121 WeakPolarHBondContact O-CE 3.49Å; T17-K121 PolarHBondContact O-NZ 2.82Å
18	V	94	Very high	93.4	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	12%	0.117	C	C	.	.	S	Bend	trans	-67.3	-15.8	174.7	-58.8	0	0	0	0	113.4	V15 G16 K20 V85 N120	V15-V18 HydrophobicContact CG2-CG1 3.54Å; V15-V18 WeakPolarHBondContact O-CG2 3.49Å; G16-V18 PolarHBondContact O-N 3.39Å; V18-K20 HydrophobicContact CG2-CD 4.46Å; V18-K20 HydrophobicContact CG2-CG 3.69Å; V18-V85 HydrophobicContact CB-CG1 4.09Å; V18-V85 HydrophobicContact CG2-CB 3.85Å; V18-V85 HydrophobicContact CG2-CG1 3.75Å; V18-N120 PolarHBondContact O-ND2 3.22Å
19	G	94.1	Very high	93.2	Very high	16 Å²	16	24.5 Å²	24.5	17%	0.165	13%	0.13	C	C	.	.	S	Bend	trans	99	27.1	176.3	0	0	0	0	0	115.1	T17 S21 A22 L23	T17-G19 PolarHBondContact O-N 3.05Å; G19-S21 PolarHBondContact O-N 2.8Å; G19-A22 PolarHBondContact O-N 3.43Å; G19-L23 WeakPolarHBondContact O-CG 3.43Å; G19-L23 PolarHBondContact O-N 3.45Å
20	K	93.3	Very high	93.1	Very high	10 Å²	10	25.1 Å²	25.1	4%	0.043	14%	0.14	C	C	.	.	H	α-helix	trans	-51.5	-56	175	-59.9	-170.7	-59.7	-75.3	0	111.9	M12 L13 G14 V15 V18 A22 L23 T24 T62 V85	M12-K20 HydrophobicContact CB-CB 4.32Å; M12-K20 HydrophobicContact CB-CD 4.23Å; M12-K20 HydrophobicContact CE-CB 4.27Å; L13-K20 WeakPolarHBondContact O-CD 3.47Å; G14-K20 PolarHBondContact O-NZ 2.83Å; V15-K20 PolarHBondContact O-NZ 3.3Å; V18-K20 HydrophobicContact CG2-CD 4.46Å; V18-K20 HydrophobicContact CG2-CG 3.69Å; K20-A22 PolarHBondContact O-N 2.75Å; K20-L23 WeakPolarHBondContact O-CB 3.44Å; K20-L23 PolarHBondContact O-N 2.76Å; K20-L23 VanDerWaalsContact O-N 3.15Å; K20-T24 PolarHBondContact O-N 3.26Å; K20-T24 PolarHBondContact O-OG1 3.22Å; K20-T24 VanDerWaalsContact O-OG1 3.1Å; K20-T62 WeakPolarHBondContact CE-O 3.45Å; K20-V85 HydrophobicContact CG-CB 4.15Å; K20-V85 HydrophobicContact CG-CG2 4.17Å
21	S	91.4	Very high	92.8	Very high	26 Å²	26	29.6 Å²	29.6	18%	0.182	16%	0.161	C	C	.	.	H	α-helix	trans	-63.9	-38.9	179.7	-47.3	0	0	0	0	113.2	G19 L23 T24 L25 T39 D61	G19-S21 PolarHBondContact O-N 2.8Å; S21-L23 VanDerWaalsContact C-N 3.33Å; S21-L23 PolarHBondContact O-N 3.08Å; S21-T24 PolarHBondContact O-N 3.36Å; S21-L25 WeakPolarHBondContact O-CB 3.25Å; S21-L25 VanDerWaalsContact O-CG 3.31Å; S21-L25 WeakPolarHBondContact O-CG 3.33Å; S21-L25 PolarHBondContact O-N 3.3Å; S21-T39 PolarHBondContact OG-OG1 3.39Å; S21-D61 WeakPolarHBondContact CA-OD2 3.47Å; S21-D61 WeakPolarHBondContact CB-OD2 3.38Å; S21-D61 VanDerWaalsContact OG-CG 3.3Å; S21-D61 PolarHBondContact OG-OD1 2.95Å; S21-D61 PolarHBondContact OG-OD2 2.77Å
22	A	94	Very high	92.5	Very high	19 Å²	19	33.1 Å²	33.1	16%	0.157	18%	0.176	C	C	.	.	H	α-helix	trans	-62.9	-40.8	175	0	0	0	0	0	111.5	G19 K20 Q26 F32 A151	G19-A22 PolarHBondContact O-N 3.43Å; K20-A22 PolarHBondContact O-N 2.75Å; A22-Q26 WeakPolarHBondContact O-CB 3.26Å; A22-Q26 PolarHBondContact O-N 3.18Å; A22-F32 HydrophobicContact CB-CD2 4.39Å; A22-F32 HydrophobicContact CB-CE2 4.21Å; A22-A151 HydrophobicContact CB-CB 3.61Å
23	L	95.5	Very high	91.8	Very high	4 Å²	4	36.8 Å²	36.8	2%	0.021	20%	0.199	C	C	.	.	H	α-helix	trans	-65.5	-43.9	173.3	-72.5	169.4	0	0	0	111.5	M12 G19 K20 S21 Q26 F27 V85 V118 N120 A151 V157	M12-L23 HydrophobicContact CE-CB 4.31Å; M12-L23 HydrophobicContact CE-CD1 4.44Å; G19-L23 WeakPolarHBondContact O-CG 3.43Å; G19-L23 PolarHBondContact O-N 3.45Å; K20-L23 WeakPolarHBondContact O-CB 3.44Å; K20-L23 PolarHBondContact O-N 2.76Å; K20-L23 VanDerWaalsContact O-N 3.15Å; S21-L23 VanDerWaalsContact C-N 3.33Å; S21-L23 PolarHBondContact O-N 3.08Å; L23-Q26 PolarHBondContact O-N 3.11Å; L23-F27 VanDerWaalsContact O-CB 3.27Å; L23-F27 WeakPolarHBondContact O-CB 3.45Å; L23-F27 PolarHBondContact O-N 3.39Å; L23-V85 HydrophobicContact CD1-CG1 3.83Å; L23-V85 HydrophobicContact CD1-CG2 4.05Å; L23-V118 HydrophobicContact CD1-CG1 4.04Å; L23-N120 HydrophobicContact CD1-CB 4.2Å; L23-A151 HydrophobicContact CD2-CB 3.89Å; L23-A151 HydrophobicContact CG-CB 4.09Å; L23-V157 HydrophobicContact CD2-CG1 4.45Å; L23-V157 HydrophobicContact CD2-CG2 3.94Å
24	T	94	Very high	90.9	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-61.2	-50	178.3	-58.6	0	0	0	0	111.2	K20 S21 F27 M28 Y44 V59 D61	K20-T24 PolarHBondContact O-N 3.26Å; K20-T24 PolarHBondContact O-OG1 3.22Å; K20-T24 VanDerWaalsContact O-OG1 3.1Å; S21-T24 PolarHBondContact O-N 3.36Å; T24-F27 PolarHBondContact O-N 3.17Å; T24-M28 HydrophobicContact CG2-CG 4.11Å; T24-M28 VanDerWaalsContact O-CB 3.29Å; T24-M28 WeakPolarHBondContact O-CB 3.46Å; T24-M28 WeakPolarHBondContact O-CG 3.2Å; T24-M28 PolarHBondContact O-N 3.46Å; T24-Y44 HydrophobicContact CG2-CD2 3.53Å; T24-Y44 HydrophobicContact CG2-CE2 4.11Å; T24-Y44 HydrophobicContact CG2-CG 3.96Å; T24-V59 HydrophobicContact CG2-CB 4.06Å; T24-V59 HydrophobicContact CG2-CG1 3.8Å; T24-D61 HydrophobicContact CG2-CB 4.35Å
25	L	93	Very high	89.8	Confident	34 Å²	34	50.2 Å²	50.2	18%	0.178	27%	0.265	C	S	.	.	H	α-helix	trans	-64.8	-42.4	178.8	-67.3	175.3	0	0	0	111.9	S21 F27 M28 Y29 E31 V33 Y44	S21-L25 WeakPolarHBondContact O-CB 3.25Å; S21-L25 VanDerWaalsContact O-CG 3.31Å; S21-L25 WeakPolarHBondContact O-CG 3.33Å; S21-L25 PolarHBondContact O-N 3.3Å; L25-F27 VanDerWaalsContact C-N 3.29Å; L25-F27 PolarHBondContact O-N 3.17Å; L25-M28 PolarHBondContact O-N 2.58Å; L25-Y29 HydrophobicContact CD2-CD2 3.95Å; L25-Y29 HydrophobicContact CD2-CE2 3.99Å; L25-Y29 PolarHBondContact O-N 3.04Å; L25-E31 CarbonylContact C-O 3.57Å; L25-V33 HydrophobicContact CD1-CG2 4.15Å; L25-Y44 HydrophobicContact CD2-CD1 4.47Å; L25-Y44 HydrophobicContact CD2-CE1 3.84Å
26	Q	95.2	Very high	88.6	Confident	12 Å²	12	55.5 Å²	55.5	6%	0.056	28%	0.282	C	S	.	.	H	α-helix	trans	-61.8	-40.7	176.9	-173.6	67.7	-60.7	0	0	111.2	A22 L23 D30 E31 A151 N154 V157	A22-Q26 WeakPolarHBondContact O-CB 3.26Å; A22-Q26 PolarHBondContact O-N 3.18Å; L23-Q26 PolarHBondContact O-N 3.11Å; Q26-D30 VanDerWaalsContact O-CA 3.26Å; Q26-D30 WeakPolarHBondContact O-CA 3.32Å; Q26-D30 PolarHBondContact O-N 3.42Å; Q26-D30 VanDerWaalsContact OE1-CA 3.25Å; Q26-D30 PolarHBondContact OE1-O 3.32Å; Q26-E31 VanDerWaalsContact CA-O 3.24Å; Q26-E31 WeakPolarHBondContact CA-O 3.31Å; Q26-E31 PolarHBondContact N-O 3.22Å; Q26-E31 PolarHBondContact OE1-O 2.99Å; Q26-A151 WeakPolarHBondContact CG-O 3.45Å; Q26-A151 PolarHBondContact NE2-O 2.77Å; Q26-N154 HydrophobicContact CG-CB 4.09Å; Q26-V157 HydrophobicContact CB-CG1 4.22Å; Q26-V157 HydrophobicContact CG-CB 4.41Å; Q26-V157 HydrophobicContact CG-CG1 4.16Å; Q26-V157 HydrophobicContact CG-CG2 3.92Å
27	F	95.4	Very high	87.5	Confident	8 Å²	8	62.6 Å²	62.6	4%	0.035	31%	0.312	C	S	.	.	H	α-helix	trans	-67.6	-43	173.6	177	-105.5	0	0	0	113	L23 T24 L25 K46 V48 V57 V157 Q158 I161 L162	L23-F27 VanDerWaalsContact O-CB 3.27Å; L23-F27 WeakPolarHBondContact O-CB 3.45Å; L23-F27 PolarHBondContact O-N 3.39Å; T24-F27 PolarHBondContact O-N 3.17Å; L25-F27 VanDerWaalsContact C-N 3.29Å; L25-F27 PolarHBondContact O-N 3.17Å; F27-K46 HydrophobicContact CD1-CD 4.4Å; F27-K46 HydrophobicContact CE1-CB 4.39Å; F27-K46 HydrophobicContact CE1-CD 4.11Å; F27-K46 HydrophobicContact CZ-CD 4.3Å; F27-K46 VanDerWaalsContact O-CD 3.27Å; F27-K46 WeakPolarHBondContact O-CD 3.43Å; F27-K46 WeakPolarHBondContact O-CE 3.44Å; F27-K46 PolarHBondContact O-NZ 3.18Å; F27-V48 HydrophobicContact CZ-CG1 4.03Å; F27-V57 HydrophobicContact CE1-CG1 4.28Å; F27-V157 HydrophobicContact CB-CG1 3.8Å; F27-Q158 HydrophobicContact CE2-CG 4.44Å; F27-I161 HydrophobicContact CB-CD1 3.3Å; F27-I161 HydrophobicContact CD1-CD1 4.15Å; F27-I161 HydrophobicContact CD1-CG2 3.97Å; F27-I161 HydrophobicContact CD2-CB 4.19Å; F27-I161 HydrophobicContact CD2-CD1 3.96Å; F27-I161 HydrophobicContact CD2-CG2 4.13Å; F27-I161 HydrophobicContact CE1-CG2 3.86Å; F27-I161 HydrophobicContact CE2-CB 4.34Å; F27-I161 HydrophobicContact CE2-CG2 4.03Å; F27-I161 HydrophobicContact CG-CB 4.39Å; F27-I161 HydrophobicContact CG-CD1 3.54Å; F27-I161 HydrophobicContact CG-CG2 4.1Å; F27-I161 HydrophobicContact CZ-CG2 3.89Å; F27-L162 HydrophobicContact CE2-CD1 3.71Å; F27-L162 HydrophobicContact CE2-CD2 4.41Å; F27-L162 HydrophobicContact CE2-CG 3.82Å; F27-L162 HydrophobicContact CZ-CD1 3.83Å; F27-L162 HydrophobicContact CZ-CD2 3.93Å; F27-L162 HydrophobicContact CZ-CG 3.85Å
28	M	91.8	Very high	86.4	Confident	12 Å²	12	63.4 Å²	63.4	6%	0.059	32%	0.318	C	S	.	.	H	α-helix	trans	-71.4	-43.7	-174.4	-69.9	-70.9	168.7	0	0	111.6	T24 L25 Y44 K46 V59	T24-M28 HydrophobicContact CG2-CG 4.11Å; T24-M28 VanDerWaalsContact O-CB 3.29Å; T24-M28 WeakPolarHBondContact O-CB 3.46Å; T24-M28 WeakPolarHBondContact O-CG 3.2Å; T24-M28 PolarHBondContact O-N 3.46Å; L25-M28 PolarHBondContact O-N 2.58Å; M28-Y44 WeakPolarHBondContact CE-O 3.06Å; M28-Y44 HydrophobicContact CG-CG 4.35Å; M28-K46 HydrophobicContact CE-CB 4.31Å; M28-K46 HydrophobicContact SD-CB 3.43Å; M28-K46 WeakPolarHBondContact SD-CB 3.11Å; M28-V59 HydrophobicContact CE-CB 3.6Å; M28-V59 HydrophobicContact CE-CG2 3.33Å
29	Y	91.5	Very high	84.8	Confident	122 Å²	122	64.6 Å²	64.6	48%	0.478	33%	0.326	S	S	.	.	H	α-helix	trans	-128.5	-2.3	-164	-53.6	-57.9	0	0	0	115	L25 E31 Y44	L25-Y29 HydrophobicContact CD2-CD2 3.95Å; L25-Y29 HydrophobicContact CD2-CE2 3.99Å; L25-Y29 PolarHBondContact O-N 3.04Å; Y29-E31 PolarHBondContact O-N 3.14Å; Y29-Y44 AromaticContact CE2-CD1 3.98Å; Y29-Y44 HydrophobicContact CE2-CD1 3.98Å; Y29-Y44 HydrophobicContact CE2-CE1 4.34Å
30	D	92.3	Very high	83.3	Confident	112 Å²	112	72 Å²	72	60%	0.599	35%	0.353	S	S	*	.	S	Bend	trans	57.3	37.4	-171.5	-159.1	32.2	0	0	0	111.7	Q26 N154	Q26-D30 VanDerWaalsContact O-CA 3.26Å; Q26-D30 WeakPolarHBondContact O-CA 3.32Å; Q26-D30 PolarHBondContact O-N 3.42Å; Q26-D30 VanDerWaalsContact OE1-CA 3.25Å; Q26-D30 PolarHBondContact OE1-O 3.32Å; D30-N154 PolarHBondContact OD1-ND2 2.76Å
31	E	88.9	Confident	82.1	Confident	112 Å²	112	74.1 Å²	74.1	52%	0.523	37%	0.37	S	S	.	.			trans	-119.3	136.7	179.1	-67.6	-176.3	174.6	0	0	112.4	L25 Q26 Y29	L25-E31 CarbonylContact C-O 3.57Å; Q26-E31 VanDerWaalsContact CA-O 3.24Å; Q26-E31 WeakPolarHBondContact CA-O 3.31Å; Q26-E31 PolarHBondContact N-O 3.22Å; Q26-E31 PolarHBondContact OE1-O 2.99Å; Y29-E31 PolarHBondContact O-N 3.14Å
32	F	87.9	Confident	81.5	Confident	74 Å²	74	76.6 Å²	76.6	33%	0.325	38%	0.381	S	S	.	.			trans	-113	118.8	167.7	178.2	-101.6	0	0	0	110.2	A22 D34 A151 K152	A22-F32 HydrophobicContact CB-CD2 4.39Å; A22-F32 HydrophobicContact CB-CE2 4.21Å; F32-D34 HydrophobicContact CE1-CB 3.86Å; F32-A151 HydrophobicContact CD2-CB 4.22Å; F32-A151 WeakPolarHBondContact CD2-O 3.03Å; F32-A151 HydrophobicContact CE2-CB 4.31Å; F32-K152 HydrophobicContact CD1-CG 4.17Å; F32-K152 VanDerWaalsContact CD2-CA 3.47Å; F32-K152 HydrophobicContact CD2-CB 4.17Å; F32-K152 HydrophobicContact CE1-CB 4.25Å; F32-K152 HydrophobicContact CE1-CD 4.42Å; F32-K152 HydrophobicContact CE1-CG 3.91Å; F32-K152 HydrophobicContact CE2-CB 3.87Å; F32-K152 HydrophobicContact CE2-CG 4.44Å; F32-K152 HydrophobicContact CG-CB 4.46Å; F32-K152 HydrophobicContact CZ-CB 3.92Å; F32-K152 HydrophobicContact CZ-CD 4.48Å; F32-K152 HydrophobicContact CZ-CG 4.06Å
33	V	78.8	Confident	80.9	Confident	77 Å²	77	79 Å²	79	47%	0.467	40%	0.397	S	S	.	.			trans	-100.3	113.7	174.5	-174.3	0	0	0	0	108.5	L25	L25-V33 HydrophobicContact CD1-CG2 4.15Å
34	D	74.3	Confident	80.6	Confident	127 Å²	127	81 Å²	81	68%	0.679	41%	0.405	S	S	*	.			trans	-76.7	-28.4	-178.2	-156.5	22.7	0	0	0	112	F32 Y36	F32-D34 HydrophobicContact CE1-CB 3.86Å; D34-Y36 PolarHBondContact O-N 2.98Å
35	E	71.9	Confident	80.5	Confident	160 Å²	160	84.9 Å²	84.9	75%	0.748	43%	0.425	S	S	*	.	S	Bend	trans	-75.8	120	176.7	-69.4	-175.7	-177	0	0	110.8	E37	E35-E37 PolarHBondContact O-N 3.35Å
36	Y	64.7	Low	80.6	Confident	145 Å²	145	86.8 Å²	86.8	57%	0.569	43%	0.431	S	S	*	.			trans	-79.2	107	178.1	179	-107	0	0	0	111.1	D34 P38	D34-Y36 PolarHBondContact O-N 2.98Å; Y36-P38 HydrophobicContact CD1-CG 4.46Å; Y36-P38 HydrophobicContact CE1-CB 4.41Å; Y36-P38 HydrophobicContact CE1-CG 3.83Å
37	E	67.1	Low	80.5	Confident	161 Å²	161	93.1 Å²	93.1	75%	0.752	46%	0.459	S	S	*	.	P	Polyproline II helix	trans	-98.7	126.3	160.6	-66.3	-163	159.8	0	0	109.9	E35 T39	E35-E37 PolarHBondContact O-N 3.35Å; E37-T39 PolarHBondContact O-N 2.82Å; E37-T39 VanDerWaalsContact O-N 3.14Å
38	P	65.8	Low	80.4	Confident	100 Å²	100	93.6 Å²	93.6	65%	0.649	46%	0.462	S	S	*	.	P	Polyproline II helix	trans	-58.5	119	174.1	-23.7	32.4	0	0	0	111.7	Y36 K40	Y36-P38 HydrophobicContact CD1-CG 4.46Å; Y36-P38 HydrophobicContact CE1-CB 4.41Å; Y36-P38 HydrophobicContact CE1-CG 3.83Å; P38-K40 PolarHBondContact O-N 3.19Å
39	T	60.4	Low	80.4	Confident	26 Å²	26	96.7 Å²	96.7	16%	0.16	49%	0.485	C	S	.	.	P	Polyproline II helix	trans	-66	130.1	-177.4	-47.3	0	0	0	0	112.2	S21 E37 D61 A63	S21-T39 PolarHBondContact OG-OG1 3.39Å; E37-T39 PolarHBondContact O-N 2.82Å; E37-T39 VanDerWaalsContact O-N 3.14Å; T39-D61 HydrophobicContact CG2-CB 4.48Å; T39-D61 WeakPolarHBondContact CG2-OD2 3.5Å; T39-A63 WeakPolarHBondContact O-CB 3.25Å
40	K	62.6	Low	80.2	Confident	170 Å²	170	93.1 Å²	93.1	74%	0.739	47%	0.474	S	S	*	.	P	Polyproline II helix	trans	-81.2	143.1	156.8	-65.7	179.9	-176	172.3	0	107.2	P38 D42	P38-K40 PolarHBondContact O-N 3.19Å; K40-D42 PolarHBondContact O-N 2.96Å
41	S	67.1	Low	80	Confident	56 Å²	56	99.7 Å²	99.7	39%	0.392	49%	0.491	S	S	.	.			trans	-52.4	111	-179.4	178.6	0	0	0	0	110.7	D61	S41-D61 WeakPolarHBondContact CA-O 3.46Å
42	D	78.2	Confident	80	Confident	77 Å²	77	97.5 Å²	97.5	41%	0.412	50%	0.498	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	148.7	-174.3	-83.2	-39.1	0	0	0	110.3	K40 Y44 D61	K40-D42 PolarHBondContact O-N 2.96Å; D42-Y44 HydrophobicContact CB-CD2 4.43Å; D42-Y44 HydrophobicContact CB-CE2 3.66Å; D42-D61 PolarHBondContact N-O 3.47Å; D42-D61 PolarHBondContact O-N 2.81Å
43	S	82.8	Confident	80.1	Confident	71 Å²	71	100.4 Å²	100.4	50%	0.497	51%	0.512	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	122.1	177.4	177	0	0	0	0	109.5	S58 V59	S43-S58 PolarHBondContact OG-OG 3.46Å; S43-V59 WeakPolarHBondContact CA-O 3.38Å
44	Y	89.6	Confident	80.8	Confident	46 Å²	46	101.6 Å²	101.6	18%	0.18	52%	0.516	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	139.3	-179.5	-60.2	-94.9	0	0	0	109.8	T24 L25 M28 Y29 D42 S58 V59 D61	T24-Y44 HydrophobicContact CG2-CD2 3.53Å; T24-Y44 HydrophobicContact CG2-CE2 4.11Å; T24-Y44 HydrophobicContact CG2-CG 3.96Å; L25-Y44 HydrophobicContact CD2-CD1 4.47Å; L25-Y44 HydrophobicContact CD2-CE1 3.84Å; M28-Y44 WeakPolarHBondContact CE-O 3.06Å; M28-Y44 HydrophobicContact CG-CG 4.35Å; Y29-Y44 AromaticContact CE2-CD1 3.98Å; Y29-Y44 HydrophobicContact CE2-CD1 3.98Å; Y29-Y44 HydrophobicContact CE2-CE1 4.34Å; D42-Y44 HydrophobicContact CB-CD2 4.43Å; D42-Y44 HydrophobicContact CB-CE2 3.66Å; Y44-S58 CarbonylContact O-C 3.53Å; Y44-S58 VanDerWaalsContact O-CA 3.28Å; Y44-S58 WeakPolarHBondContact O-CA 3.46Å; Y44-V59 PolarHBondContact N-O 3.34Å; Y44-V59 PolarHBondContact O-N 2.97Å; Y44-D61 HydrophobicContact CD2-CB 4.31Å; Y44-D61 HydrophobicContact CE2-CB 4.01Å
45	L	92.2	Very high	81.7	Confident	80 Å²	80	96 Å²	96	42%	0.419	49%	0.486	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	127.3	-176.2	-69.5	164.2	0	0	0	110.7	E56 V57	L45-E56 HydrophobicContact CB-CG 4.36Å; L45-E56 HydrophobicContact CD2-CG 3.96Å; L45-V57 WeakPolarHBondContact CA-O 3.41Å
46	K	93.3	Very high	82.8	Confident	74 Å²	74	90 Å²	90	32%	0.322	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	134.6	172.3	-178.7	174.9	-171.6	175.3	0	111	F27 M28 V48 V57	F27-K46 HydrophobicContact CD1-CD 4.4Å; F27-K46 HydrophobicContact CE1-CB 4.39Å; F27-K46 HydrophobicContact CE1-CD 4.11Å; F27-K46 HydrophobicContact CZ-CD 4.3Å; F27-K46 VanDerWaalsContact O-CD 3.27Å; F27-K46 WeakPolarHBondContact O-CD 3.43Å; F27-K46 WeakPolarHBondContact O-CE 3.44Å; F27-K46 PolarHBondContact O-NZ 3.18Å; M28-K46 HydrophobicContact CE-CB 4.31Å; M28-K46 HydrophobicContact SD-CB 3.43Å; M28-K46 WeakPolarHBondContact SD-CB 3.11Å; K46-V48 HydrophobicContact CD-CG1 4.11Å; K46-V48 HydrophobicContact CG-CG1 3.93Å; K46-V57 PolarHBondContact N-O 3.15Å; K46-V57 PolarHBondContact O-N 2.89Å
47	K	94	Very high	84.3	Confident	146 Å²	146	83.1 Å²	83.1	64%	0.635	43%	0.431	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.3	129.2	168.8	-66.2	-177.2	-178.5	179.8	0	109.6	L5 V55	L5-K47 HydrophobicContact CD1-CD 3.9Å; L5-K47 HydrophobicContact CD1-CG 4.04Å; K47-V55 WeakPolarHBondContact CA-O 3.48Å
48	V	92.9	Very high	85.6	Confident	18 Å²	18	75.6 Å²	75.6	11%	0.109	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	148.6	179.9	-64.3	0	0	0	0	109.9	F27 K46 L50 D54 V55 V57 L162	F27-V48 HydrophobicContact CZ-CG1 4.03Å; K46-V48 HydrophobicContact CD-CG1 4.11Å; K46-V48 HydrophobicContact CG-CG1 3.93Å; V48-L50 HydrophobicContact CG2-CD1 4.21Å; V48-L50 HydrophobicContact CG2-CG 3.91Å; V48-D54 WeakPolarHBondContact O-CA 3.38Å; V48-V55 HydrophobicContact CG2-CG2 3.63Å; V48-V55 PolarHBondContact N-O 2.98Å; V48-V55 PolarHBondContact O-N 3.42Å; V48-V57 HydrophobicContact CG2-CB 4.38Å; V48-V57 HydrophobicContact CG2-CG2 3.49Å; V48-V57 VanDerWaalsContact CG2-CG2 3.49Å; V48-L162 HydrophobicContact CB-CD1 4.32Å; V48-L162 HydrophobicContact CG1-CD1 4.22Å; V48-L162 HydrophobicContact CG2-CD1 4.3Å; V48-L162 HydrophobicContact CG2-CD2 4.45Å
49	S	91.2	Very high	86.9	Confident	77 Å²	77	70.9 Å²	70.9	54%	0.538	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	106.7	170.1	-159.8	0	0	0	0	108.6	H53 D54	S49-H53 CarbonylContact C-O 3.58Å; S49-H53 WeakPolarHBondContact CA-O 3.46Å; S49-D54 WeakPolarHBondContact CB-OD1 3.44Å; S49-D54 PolarHBondContact OG-OD1 2.95Å
50	L	88.1	Confident	88.4	Confident	46 Å²	46	71.2 Å²	71.2	24%	0.241	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	116.4	177.2	-74	-179.4	0	0	0	109.4	I8 V48 G52 H53 V55 L162	I8-L50 HydrophobicContact CD1-CD1 3.94Å; V48-L50 HydrophobicContact CG2-CD1 4.21Å; V48-L50 HydrophobicContact CG2-CG 3.91Å; L50-G52 PolarHBondContact O-N 2.9Å; L50-G52 VanDerWaalsContact O-N 3.1Å; L50-H53 PolarHBondContact N-O 2.84Å; L50-H53 PolarHBondContact O-N 3.25Å; L50-V55 HydrophobicContact CB-CG2 4.3Å; L50-V55 HydrophobicContact CD1-CG2 3.59Å; L50-V55 HydrophobicContact CG-CG2 3.96Å; L50-L162 HydrophobicContact CD1-CD2 4.25Å; L50-L162 HydrophobicContact CD2-CB 4.02Å; L50-L162 HydrophobicContact CD2-CD1 3.79Å; L50-L162 HydrophobicContact CD2-CD2 4.23Å; L50-L162 HydrophobicContact CD2-CG 4.23Å
51	R	88.1	Confident	89.5	Confident	251 Å²	251	63.1 Å²	63.1	95%	0.947	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.4	34.6	178.1	-57	178.7	178.8	170	1.2	113.1
52	G	88.9	Confident	89.9	Confident	65 Å²	65	60.8 Å²	60.8	67%	0.67	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.5	3.5	-179.1	0	0	0	0	0	115.2	L50	L50-G52 PolarHBondContact O-N 2.9Å; L50-G52 VanDerWaalsContact O-N 3.1Å
53	H	90.2	Very high	89.7	Confident	136 Å²	136	58 Å²	58	63%	0.63	30%	0.302	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111	129.2	174.5	-63.7	-72.2	0	0	0	110.7	S49 L50 V55	S49-H53 CarbonylContact C-O 3.58Å; S49-H53 WeakPolarHBondContact CA-O 3.46Å; L50-H53 PolarHBondContact N-O 2.84Å; L50-H53 PolarHBondContact O-N 3.25Å; H53-V55 PolarHBondContact O-N 3.01Å
54	D	93.2	Very high	88.5	Confident	102 Å²	102	55.5 Å²	55.5	55%	0.545	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	124.7	173.4	-68.6	-14.2	0	0	0	109.4	L5 V48 S49	L5-D54 HydrophobicContact CD1-CB 4.4Å; L5-D54 HydrophobicContact CD2-CB 4Å; V48-D54 WeakPolarHBondContact O-CA 3.38Å; S49-D54 WeakPolarHBondContact CB-OD1 3.44Å; S49-D54 PolarHBondContact OG-OD1 2.95Å
55	V	94.3	Very high	86.8	Confident	8 Å²	8	59.7 Å²	59.7	5%	0.048	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	162.9	175.7	-58.7	0	0	0	0	109.9	E6 I8 K47 V48 L50 H53 V57	E6-V55 HydrophobicContact CB-CG1 4.38Å; E6-V55 WeakPolarHBondContact O-CA 3.27Å; I8-V55 HydrophobicContact CD1-CB 4.41Å; I8-V55 HydrophobicContact CD1-CG2 4.05Å; K47-V55 WeakPolarHBondContact CA-O 3.48Å; V48-V55 HydrophobicContact CG2-CG2 3.63Å; V48-V55 PolarHBondContact N-O 2.98Å; V48-V55 PolarHBondContact O-N 3.42Å; L50-V55 HydrophobicContact CB-CG2 4.3Å; L50-V55 HydrophobicContact CD1-CG2 3.59Å; L50-V55 HydrophobicContact CG-CG2 3.96Å; H53-V55 PolarHBondContact O-N 3.01Å; V55-V57 HydrophobicContact CG2-CG2 4.12Å
56	E	95	Very high	84.9	Confident	35 Å²	35	63 Å²	63	16%	0.164	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	116.7	169.8	-164.9	170.9	81.2	0	0	109.6	E6 R7 I8 L45	E6-E56 PolarHBondContact O-N 3.04Å; R7-E56 CarbonylContact C-O 3.6Å; R7-E56 WeakPolarHBondContact CA-O 3.32Å; R7-E56 HydrophobicContact CG-CB 4.3Å; R7-E56 VanDerWaalsContact CG-O 3.3Å; R7-E56 WeakPolarHBondContact CG-O 3.27Å; R7-E56 IonicContact CZ-OE1 3.13Å; R7-E56 IonicContact NE-OE1 2.79Å; R7-E56 PolarHBondContact NE-OE1 2.61Å; R7-E56 IonicContact NH2-OE1 2.68Å; R7-E56 PolarHBondContact NH2-OE1 3.28Å; I8-E56 PolarHBondContact N-O 2.98Å; L45-E56 HydrophobicContact CB-CG 4.36Å; L45-E56 HydrophobicContact CD2-CG 3.96Å
57	V	95.1	Very high	82.6	Confident	0 Å²	0	63.7 Å²	63.7	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	122	177.7	174.1	0	0	0	0	108.5	I8 L10 F27 L45 K46 V48 V55 V59 L162	I8-V57 HydrophobicContact CB-CG2 4.45Å; L10-V57 HydrophobicContact CD1-CG1 3.69Å; L10-V57 HydrophobicContact CG-CG1 4.25Å; F27-V57 HydrophobicContact CE1-CG1 4.28Å; L45-V57 WeakPolarHBondContact CA-O 3.41Å; K46-V57 PolarHBondContact N-O 3.15Å; K46-V57 PolarHBondContact O-N 2.89Å; V48-V57 HydrophobicContact CG2-CB 4.38Å; V48-V57 HydrophobicContact CG2-CG2 3.49Å; V48-V57 VanDerWaalsContact CG2-CG2 3.49Å; V55-V57 HydrophobicContact CG2-CG2 4.12Å; V57-V59 HydrophobicContact CG1-CG2 4Å; V57-L162 HydrophobicContact CG1-CD2 4.35Å; V57-L162 HydrophobicContact CG2-CD2 3.84Å
58	S	94.2	Very high	80.3	Confident	4 Å²	4	67.7 Å²	67.7	3%	0.028	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	113.4	173.1	-176	0	0	0	0	109.3	I8 Y9 L10 S43 Y44	I8-S58 PolarHBondContact O-N 2.96Å; Y9-S58 CarbonylContact C-O 3.59Å; Y9-S58 WeakPolarHBondContact CA-O 3.49Å; L10-S58 PolarHBondContact N-O 3.34Å; S43-S58 PolarHBondContact OG-OG 3.46Å; Y44-S58 CarbonylContact O-C 3.53Å; Y44-S58 VanDerWaalsContact O-CA 3.28Å; Y44-S58 WeakPolarHBondContact O-CA 3.46Å
59	V	93.5	Very high	78	Confident	0 Å²	0	69.2 Å²	69.2	0%	0	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	115.7	175	-178.4	0	0	0	0	108.6	L10 M12 T24 M28 S43 Y44 V57 D61 I161	L10-V59 HydrophobicContact CB-CG2 4.47Å; M12-V59 HydrophobicContact CG-CG1 3.33Å; M12-V59 HydrophobicContact SD-CG1 3.93Å; T24-V59 HydrophobicContact CG2-CB 4.06Å; T24-V59 HydrophobicContact CG2-CG1 3.8Å; M28-V59 HydrophobicContact CE-CB 3.6Å; M28-V59 HydrophobicContact CE-CG2 3.33Å; S43-V59 WeakPolarHBondContact CA-O 3.38Å; Y44-V59 PolarHBondContact N-O 3.34Å; Y44-V59 PolarHBondContact O-N 2.97Å; V57-V59 HydrophobicContact CG1-CG2 4Å; V59-D61 PolarHBondContact O-N 2.86Å; V59-I161 HydrophobicContact CG2-CG2 4.34Å
60	L	92	Very high	76.5	Confident	34 Å²	34	66.9 Å²	66.9	18%	0.178	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	101.8	169.7	179.4	66.6	0	0	0	108.5	L10 M12 T62 I71 A75	L10-L60 PolarHBondContact O-N 2.89Å; M12-L60 PolarHBondContact N-O 2.9Å; L60-T62 HydrophobicContact CD2-CG2 4.21Å; L60-T62 HydrophobicContact CG-CG2 3.89Å; L60-I71 HydrophobicContact CD2-CG1 4.3Å; L60-A75 HydrophobicContact CD2-CB 3.54Å
61	D	85	Confident	75.6	Confident	0 Å²	0	65.7 Å²	65.7	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	127.8	174	-172.4	19.1	0	0	0	109.9	S21 T24 T39 S41 D42 Y44 V59	S21-D61 WeakPolarHBondContact CA-OD2 3.47Å; S21-D61 WeakPolarHBondContact CB-OD2 3.38Å; S21-D61 VanDerWaalsContact OG-CG 3.3Å; S21-D61 PolarHBondContact OG-OD1 2.95Å; S21-D61 PolarHBondContact OG-OD2 2.77Å; T24-D61 HydrophobicContact CG2-CB 4.35Å; T39-D61 HydrophobicContact CG2-CB 4.48Å; T39-D61 WeakPolarHBondContact CG2-OD2 3.5Å; S41-D61 WeakPolarHBondContact CA-O 3.46Å; D42-D61 PolarHBondContact N-O 3.47Å; D42-D61 PolarHBondContact O-N 2.81Å; Y44-D61 HydrophobicContact CD2-CB 4.31Å; Y44-D61 HydrophobicContact CE2-CB 4.01Å; V59-D61 PolarHBondContact O-N 2.86Å
62	T	76.9	Confident	75.1	Confident	6 Å²	6	57.8 Å²	57.8	4%	0.037	33%	0.325	C	S	.	.			trans	-118.3	145.9	-170.5	67.9	0	0	0	0	112.3	M12 K20 L60 G64 I71	M12-T62 PolarHBondContact O-OG1 3.09Å; K20-T62 WeakPolarHBondContact CE-O 3.45Å; L60-T62 HydrophobicContact CD2-CG2 4.21Å; L60-T62 HydrophobicContact CG-CG2 3.89Å; T62-G64 PolarHBondContact O-N 3.08Å; T62-I71 HydrophobicContact CG2-CB 3.81Å; T62-I71 HydrophobicContact CG2-CG1 4.48Å
63	A	72.4	Confident	75	Confident	19 Å²	19	59.3 Å²	59.3	16%	0.157	31%	0.314	C	S	.	.			trans	-59.8	129.9	171.5	0	0	0	0	0	109.1	T39 Q65 A69	T39-A63 WeakPolarHBondContact O-CB 3.25Å; A63-Q65 PolarHBondContact O-N 3.4Å; A63-A69 HydrophobicContact CB-CB 4.16Å
64	G	58.6	Low	74.8	Confident	18 Å²	18	57.2 Å²	57.2	19%	0.186	31%	0.312	C	S	.	.	S	Bend	trans	-75.8	20.8	179.4	0	0	0	0	0	115	G16 T62	G16-G64 PolarHBondContact N-O 3.21Å; G16-G64 VanDerWaalsContact N-O 3.1Å; T62-G64 PolarHBondContact O-N 3.08Å
65	Q	54.6	Low	74.5	Confident	135 Å²	135	52.8 Å²	52.8	63%	0.631	29%	0.289	S	S	*	.			trans	-116.4	113.7	179.5	-68.7	-68	-22.4	0	0	108.4	A63 S67	A63-Q65 PolarHBondContact O-N 3.4Å; Q65-S67 PolarHBondContact O-N 2.83Å
66	E	51.1	Low	74.3	Confident	148 Å²	148	53 Å²	53	69%	0.692	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-18.6	-174.4	-61.5	-176.6	165.9	0	0	113.5
67	S	46.4	Very low	74.1	Confident	89 Å²	89	57.5 Å²	57.5	62%	0.622	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.2	-20.1	-161.1	-33.2	0	0	0	0	115.4	Q65	Q65-S67 PolarHBondContact O-N 2.83Å
68	Y	44.3	Very low	73.8	Confident	230 Å²	230	61.8 Å²	61.8	90%	0.902	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-147.7	-13.8	-170.2	-90.7	-83.4	0	0	0	118
69	A	46	Very low	73.8	Confident	51 Å²	51	61.9 Å²	61.9	42%	0.421	33%	0.331	S	S	.	.	S	Bend	trans	-156.7	26	-178.9	0	0	0	0	0	113.9	A63	A63-A69 HydrophobicContact CB-CB 4.16Å
70	G	59.4	Low	73.9	Confident	27 Å²	27	65.4 Å²	65.4	28%	0.278	35%	0.35	S	S	.	.	S	Bend	trans	-69.8	172.4	179	0	0	0	0	0	113.2	T72	G70-T72 PolarHBondContact O-N 3.28Å; G70-T72 VanDerWaalsContact O-N 3.16Å
71	I	67.9	Low	74.1	Confident	22 Å²	22	63.9 Å²	63.9	11%	0.113	34%	0.343	C	S	.	.	P	Polyproline II helix	trans	-50.8	121.7	172.7	-175.7	169	0	0	0	110.2	L13 L60 T62 A75 Y76 F82	L13-I71 HydrophobicContact CD2-CB 4.06Å; L13-I71 HydrophobicContact CD2-CD1 3.65Å; L13-I71 HydrophobicContact CD2-CG1 4.42Å; L13-I71 HydrophobicContact CD2-CG2 3.38Å; L60-I71 HydrophobicContact CD2-CG1 4.3Å; T62-I71 HydrophobicContact CG2-CB 3.81Å; T62-I71 HydrophobicContact CG2-CG1 4.48Å; I71-A75 HydrophobicContact CD1-CB 3.9Å; I71-A75 HydrophobicContact CG1-CB 3.38Å; I71-Y76 HydrophobicContact CB-CD2 4.46Å; I71-Y76 HydrophobicContact CB-CE2 4.13Å; I71-Y76 HydrophobicContact CD1-CD1 4.49Å; I71-Y76 HydrophobicContact CD1-CD2 4.3Å; I71-Y76 HydrophobicContact CD1-CE2 4.43Å; I71-Y76 HydrophobicContact CD1-CG 4.35Å; I71-Y76 HydrophobicContact CG1-CD2 4.04Å; I71-Y76 HydrophobicContact CG1-CE2 4.17Å; I71-Y76 HydrophobicContact CG2-CD2 3.91Å; I71-Y76 HydrophobicContact CG2-CE1 4.41Å; I71-Y76 HydrophobicContact CG2-CE2 3.14Å; I71-Y76 VanDerWaalsContact CG2-CZ 3.43Å; I71-Y76 WeakPolarHBondContact CG2-OH 3.1Å; I71-F82 HydrophobicContact CD1-CD1 4.32Å; I71-F82 HydrophobicContact CD1-CE1 3.76Å
72	T	78.9	Confident	74.6	Confident	85 Å²	85	64 Å²	64	52%	0.521	34%	0.343	S	S	.	.	P	Polyproline II helix	trans	-68.5	155.6	-178.5	60.9	0	0	0	0	110.4	G70 T74 A75 Y76	G70-T72 PolarHBondContact O-N 3.28Å; G70-T72 VanDerWaalsContact O-N 3.16Å; T72-T74 PolarHBondContact O-N 3.47Å; T72-T74 VanDerWaalsContact O-N 3.14Å; T72-A75 WeakPolarHBondContact O-CB 3.23Å; T72-A75 PolarHBondContact O-N 3.34Å; T72-A75 PolarHBondContact OG1-N 2.9Å; T72-A75 VanDerWaalsContact OG1-N 3.13Å; T72-Y76 PolarHBondContact O-N 2.8Å
73	E	85.4	Confident	75.5	Confident	96 Å²	96	64 Å²	64	45%	0.449	34%	0.342	S	S	.	.	H	α-helix	trans	-55.9	-31.9	171.6	-63.8	-157.1	154.7	0	0	111.9	Y76 R77 K103 L107	E73-Y76 PolarHBondContact O-N 3.03Å; E73-R77 VanDerWaalsContact O-CG 3.3Å; E73-R77 WeakPolarHBondContact O-CG 3.4Å; E73-R77 PolarHBondContact O-N 2.82Å; E73-K103 IonicContact OE1-NZ 2.79Å; E73-K103 PolarHBondContact OE1-NZ 2.79Å; E73-L107 HydrophobicContact CB-CD1 4.14Å; E73-L107 HydrophobicContact CG-CD1 4.18Å
74	T	86.3	Confident	76.7	Confident	93 Å²	93	63 Å²	63	57%	0.571	34%	0.335	S	S	*	.	H	α-helix	trans	-58.6	-50.4	171.7	-55.6	0	0	0	0	111.1	T72 Y76 R77 T78	T72-T74 PolarHBondContact O-N 3.47Å; T72-T74 VanDerWaalsContact O-N 3.14Å; T74-Y76 VanDerWaalsContact C-N 3.34Å; T74-Y76 PolarHBondContact O-N 2.92Å; T74-R77 CarbonylContact O-C 3.53Å; T74-R77 WeakPolarHBondContact O-CA 3.32Å; T74-R77 WeakPolarHBondContact O-CB 3.26Å; T74-R77 PolarHBondContact O-N 2.64Å; T74-T78 HydrophobicContact CG2-CG2 4.14Å; T74-T78 WeakPolarHBondContact O-CG2 3.33Å; T74-T78 PolarHBondContact O-N 3.1Å; T74-T78 PolarHBondContact O-OG1 2.52Å
75	A	87.1	Confident	78.5	Confident	8 Å²	8	62.2 Å²	62.2	7%	0.066	33%	0.326	C	S	.	.	H	α-helix	trans	-62.4	-39.3	178.7	0	0	0	0	0	112.5	L60 I71 T72 R77 T78 C79	L60-A75 HydrophobicContact CD2-CB 3.54Å; I71-A75 HydrophobicContact CD1-CB 3.9Å; I71-A75 HydrophobicContact CG1-CB 3.38Å; T72-A75 WeakPolarHBondContact O-CB 3.23Å; T72-A75 PolarHBondContact O-N 3.34Å; T72-A75 PolarHBondContact OG1-N 2.9Å; T72-A75 VanDerWaalsContact OG1-N 3.13Å; A75-R77 PolarHBondContact O-N 3.49Å; A75-T78 PolarHBondContact O-N 3.46Å; A75-C79 WeakPolarHBondContact O-CB 3.35Å; A75-C79 PolarHBondContact O-N 2.64Å; A75-C79 PolarHBondContact O-SG 3.22Å
76	Y	90.2	Very high	80.6	Confident	12 Å²	12	55.8 Å²	55.8	5%	0.047	30%	0.296	C	S	.	.	H	α-helix	trans	-57.6	-37.4	169.5	-83.8	-75.5	0	0	0	112.9	L13 I71 T72 E73 T74 F82 K103 I104 L107 R108	L13-Y76 HydrophobicContact CD1-CE1 3.74Å; L13-Y76 HydrophobicContact CD2-CE1 4.23Å; I71-Y76 HydrophobicContact CB-CD2 4.46Å; I71-Y76 HydrophobicContact CB-CE2 4.13Å; I71-Y76 HydrophobicContact CD1-CD1 4.49Å; I71-Y76 HydrophobicContact CD1-CD2 4.3Å; I71-Y76 HydrophobicContact CD1-CE2 4.43Å; I71-Y76 HydrophobicContact CD1-CG 4.35Å; I71-Y76 HydrophobicContact CG1-CD2 4.04Å; I71-Y76 HydrophobicContact CG1-CE2 4.17Å; I71-Y76 HydrophobicContact CG2-CD2 3.91Å; I71-Y76 HydrophobicContact CG2-CE1 4.41Å; I71-Y76 HydrophobicContact CG2-CE2 3.14Å; I71-Y76 VanDerWaalsContact CG2-CZ 3.43Å; I71-Y76 WeakPolarHBondContact CG2-OH 3.1Å; T72-Y76 PolarHBondContact O-N 2.8Å; E73-Y76 PolarHBondContact O-N 3.03Å; T74-Y76 VanDerWaalsContact C-N 3.34Å; T74-Y76 PolarHBondContact O-N 2.92Å; Y76-F82 HydrophobicContact CD1-CE1 4.12Å; Y76-F82 HydrophobicContact CD1-CZ 4.11Å; Y76-F82 WeakPolarHBondContact O-CZ 3.48Å; Y76-K103 HydrophobicContact CD1-CG 4.49Å; Y76-K103 HydrophobicContact CD2-CG 4.23Å; Y76-K103 HydrophobicContact CE1-CB 4.31Å; Y76-K103 HydrophobicContact CE1-CG 4.04Å; Y76-K103 HydrophobicContact CE2-CG 3.69Å; Y76-I104 HydrophobicContact CD1-CG1 3.84Å; Y76-I104 HydrophobicContact CE1-CG1 3.69Å; Y76-L107 VanDerWaalsContact CB-CD1 3.42Å; Y76-L107 HydrophobicContact CD2-CD1 4.01Å; Y76-L107 HydrophobicContact CG-CD1 3.8Å; Y76-R108 WeakPolarHBondContact O-CD 3.16Å; Y76-R108 WeakPolarHBondContact O-CG 3.28Å; Y76-R108 PolarHBondContact O-NH1 2.95Å
77	R	90.4	Very high	82.8	Confident	131 Å²	131	48.8 Å²	48.8	49%	0.494	26%	0.264	S	S	.	.	H	α-helix	trans	-75.3	-31.7	179.3	-72	180	-165.8	-76.8	7	113.5	E73 T74 A75 L107 R108	E73-R77 VanDerWaalsContact O-CG 3.3Å; E73-R77 WeakPolarHBondContact O-CG 3.4Å; E73-R77 PolarHBondContact O-N 2.82Å; T74-R77 CarbonylContact O-C 3.53Å; T74-R77 WeakPolarHBondContact O-CA 3.32Å; T74-R77 WeakPolarHBondContact O-CB 3.26Å; T74-R77 PolarHBondContact O-N 2.64Å; A75-R77 PolarHBondContact O-N 3.49Å; R77-L107 HydrophobicContact CG-CB 4.33Å; R77-L107 PolarHBondContact NH1-O 2.97Å; R77-R108 PolarHBondContact O-NH1 2.78Å
78	T	90.4	Very high	85.3	Confident	90 Å²	90	44.6 Å²	44.6	55%	0.552	23%	0.234	S	C	*	.	H	α-helix	trans	-109.3	-18.6	-167.3	60.5	0	0	0	0	115.4	T74 A75	T74-T78 HydrophobicContact CG2-CG2 4.14Å; T74-T78 WeakPolarHBondContact O-CG2 3.33Å; T74-T78 PolarHBondContact O-N 3.1Å; T74-T78 PolarHBondContact O-OG1 2.52Å; A75-T78 PolarHBondContact O-N 3.46Å
79	C	93.7	Very high	87.9	Confident	5 Å²	5	34.9 Å²	34.9	3%	0.034	20%	0.199	C	C	.	.			trans	-63.8	142.8	174.8	-71	0	0	0	0	110.9	Y9 A75 G81 F82 R108	Y9-C79 CarbonylContact O-C 3.58Å; A75-C79 WeakPolarHBondContact O-CB 3.35Å; A75-C79 PolarHBondContact O-N 2.64Å; A75-C79 PolarHBondContact O-SG 3.22Å; C79-G81 VanDerWaalsContact C-N 3.32Å; C79-F82 HydrophobicContact CB-CE1 3.74Å; C79-F82 HydrophobicContact CB-CZ 3.76Å; C79-R108 PolarHBondContact O-NH1 2.93Å; C79-R108 PolarHBondContact O-NH2 3.5Å
80	D	94.7	Very high	90.4	Very high	75 Å²	75	35 Å²	35	40%	0.401	19%	0.192	S	C	.	.	S	Bend	trans	-74.7	-24.6	176.7	-60.5	-55.4	0	0	0	111.7	I8 Y9 P114	I8-D80 WeakPolarHBondContact CA-OD2 3.35Å; I8-D80 HydrophobicContact CG2-CB 4.09Å; Y9-D80 WeakPolarHBondContact CD2-OD2 2.95Å; Y9-D80 PolarHBondContact N-OD2 2.92Å; Y9-D80 PolarHBondContact O-N 3.29Å; D80-P114 WeakPolarHBondContact O-CD 3.09Å
81	G	95.6	Very high	92.2	Very high	2 Å²	2	36.7 Å²	36.7	2%	0.021	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.1	169.8	175.5	0	0	0	0	0	113.2	Y9 L10 G11 C79 P114	Y9-G81 PolarHBondContact O-N 3.06Å; L10-G81 WeakPolarHBondContact CA-O 3.41Å; G11-G81 PolarHBondContact N-O 3.42Å; C79-G81 VanDerWaalsContact C-N 3.32Å; G81-P114 VanDerWaalsContact CA-O 3.28Å; G81-P114 WeakPolarHBondContact CA-O 3.36Å
82	F	95.5	Very high	93.6	Very high	3 Å²	3	38.5 Å²	38.5	1%	0.013	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	143.7	179.7	-61.6	-75.6	0	0	0	112.6	G11 L13 I71 Y76 C79 I104 V113 P114 I115 I116	G11-F82 WeakPolarHBondContact O-CA 3.29Å; L13-F82 HydrophobicContact CD1-CB 4.11Å; L13-F82 HydrophobicContact CD1-CD1 3.76Å; L13-F82 HydrophobicContact CD1-CG 4.08Å; L13-F82 HydrophobicContact CG-CD1 4.16Å; I71-F82 HydrophobicContact CD1-CD1 4.32Å; I71-F82 HydrophobicContact CD1-CE1 3.76Å; Y76-F82 HydrophobicContact CD1-CE1 4.12Å; Y76-F82 HydrophobicContact CD1-CZ 4.11Å; Y76-F82 WeakPolarHBondContact O-CZ 3.48Å; C79-F82 HydrophobicContact CB-CE1 3.74Å; C79-F82 HydrophobicContact CB-CZ 3.76Å; F82-I104 HydrophobicContact CB-CD1 3.99Å; F82-I104 HydrophobicContact CD2-CD1 3.76Å; F82-I104 HydrophobicContact CD2-CG1 4.04Å; F82-I104 HydrophobicContact CD2-CG2 4.33Å; F82-I104 HydrophobicContact CE2-CD1 4.49Å; F82-I104 HydrophobicContact CE2-CG1 4.28Å; F82-I104 HydrophobicContact CE2-CG2 4.35Å; F82-I104 HydrophobicContact CG-CD1 3.86Å; F82-I104 HydrophobicContact CG-CG1 4.38Å; F82-V113 HydrophobicContact CD2-CG2 3.78Å; F82-V113 HydrophobicContact CE2-CG2 3.73Å; F82-P114 PolarHBondContact N-O 3.21Å; F82-I115 HydrophobicContact CB-CG1 4.45Å; F82-I115 VanDerWaalsContact O-CA 3.31Å; F82-I115 WeakPolarHBondContact O-CA 3.35Å; F82-I116 PolarHBondContact O-N 3.25Å
83	I	97.1	Very high	94.4	Very high	4 Å²	4	34.5 Å²	34.5	2%	0.021	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	114.4	171.7	-60.7	153	0	0	0	106.6	L10 G11 M12 L13 V85 V118 I161	L10-I83 HydrophobicContact CB-CD1 4.38Å; L10-I83 HydrophobicContact CD1-CD1 4.18Å; G11-I83 PolarHBondContact O-N 2.82Å; M12-I83 HydrophobicContact CE-CB 4.5Å; M12-I83 HydrophobicContact CE-CG2 4.14Å; M12-I83 HydrophobicContact SD-CB 3.77Å; M12-I83 HydrophobicContact SD-CD1 3.54Å; M12-I83 VanDerWaalsContact SD-CD1 3.54Å; M12-I83 HydrophobicContact SD-CG1 4.29Å; M12-I83 HydrophobicContact SD-CG2 4.02Å; L13-I83 PolarHBondContact N-O 3.33Å; I83-V85 HydrophobicContact CG2-CG2 3.93Å; I83-V118 HydrophobicContact CG2-CB 4.27Å; I83-V118 HydrophobicContact CG2-CG2 3.59Å; I83-I161 HydrophobicContact CD1-CB 4.14Å; I83-I161 HydrophobicContact CD1-CG1 3.95Å; I83-I161 HydrophobicContact CD1-CG2 4.09Å
84	I	96.5	Very high	95.1	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	111.7	179.6	-50.1	175.6	0	0	0	108.2	L13 V97 F100 M101 I104 I115 I116 V118	L13-I84 HydrophobicContact CB-CG1 4.2Å; L13-I84 HydrophobicContact CB-CG2 4.46Å; L13-I84 HydrophobicContact CD1-CG1 4.21Å; I84-V97 HydrophobicContact CG2-CB 4.37Å; I84-V97 HydrophobicContact CG2-CG1 4.01Å; I84-V97 HydrophobicContact CG2-CG2 4.13Å; I84-F100 HydrophobicContact CD1-CB 4.16Å; I84-F100 HydrophobicContact CG2-CB 4.16Å; I84-F100 HydrophobicContact CG2-CD2 4.06Å; I84-F100 HydrophobicContact CG2-CG 4.33Å; I84-M101 HydrophobicContact CD1-CG 3.81Å; I84-M101 HydrophobicContact CD1-SD 3.38Å; I84-M101 WeakPolarHBondContact CD1-SD 3.18Å; I84-I104 HydrophobicContact CD1-CD1 4.05Å; I84-I115 HydrophobicContact CD1-CG2 3.8Å; I84-I115 HydrophobicContact CG1-CG2 4.1Å; I84-I116 PolarHBondContact N-O 3.37Å; I84-V118 PolarHBondContact O-N 3.38Å
85	V	97.5	Very high	95.6	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	130.8	-174.1	-169.8	0	0	0	0	110.4	M12 L13 G14 V18 K20 L23 I83 V118 N120	M12-V85 HydrophobicContact CE-CG2 3.64Å; L13-V85 PolarHBondContact O-N 3.06Å; G14-V85 WeakPolarHBondContact CA-O 3.39Å; V18-V85 HydrophobicContact CB-CG1 4.09Å; V18-V85 HydrophobicContact CG2-CB 3.85Å; V18-V85 HydrophobicContact CG2-CG1 3.75Å; K20-V85 HydrophobicContact CG-CB 4.15Å; K20-V85 HydrophobicContact CG-CG2 4.17Å; L23-V85 HydrophobicContact CD1-CG1 3.83Å; L23-V85 HydrophobicContact CD1-CG2 4.05Å; I83-V85 HydrophobicContact CG2-CG2 3.93Å; V85-V118 WeakPolarHBondContact CA-O 3.05Å; V85-V118 HydrophobicContact CG1-CG1 4.37Å; V85-V118 HydrophobicContact CG2-CB 4.31Å; V85-N120 HydrophobicContact CG1-CB 3.9Å
86	F	98.1	Very high	96	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	164.7	163.3	74.8	-84.7	0	0	0	110	I88 F94 V97 L117 V118 G119 N120 V130 A135 Y146	F86-I88 HydrophobicContact CE2-CG2 4.23Å; F86-F94 HydrophobicContact CB-CB 4.38Å; F86-F94 AromaticContact CD1-CD2 3.95Å; F86-F94 HydrophobicContact CD1-CD2 3.95Å; F86-F94 HydrophobicContact CD2-CB 3.82Å; F86-F94 AromaticContact CD2-CD2 3.92Å; F86-F94 HydrophobicContact CD2-CD2 3.92Å; F86-F94 HydrophobicContact CD2-CG 4.3Å; F86-F94 AromaticContact CE1-CD2 3.89Å; F86-F94 HydrophobicContact CE1-CD2 3.89Å; F86-F94 HydrophobicContact CE1-CE2 4.29Å; F86-F94 HydrophobicContact CE2-CB 4.35Å; F86-F94 AromaticContact CE2-CD2 3.89Å; F86-F94 HydrophobicContact CE2-CD2 3.89Å; F86-F94 HydrophobicContact CE2-CG 4.44Å; F86-F94 HydrophobicContact CG-CB 4.15Å; F86-F94 AromaticContact CG-CD2 3.95Å; F86-F94 HydrophobicContact CG-CD2 3.95Å; F86-F94 AromaticContact CZ-CD2 3.88Å; F86-F94 HydrophobicContact CZ-CD2 3.88Å; F86-F94 HydrophobicContact CZ-CE2 4.32Å; F86-V97 HydrophobicContact CB-CG2 4.17Å; F86-V97 HydrophobicContact CD1-CG2 4.38Å; F86-L117 HydrophobicContact CD1-CD1 3.8Å; F86-L117 HydrophobicContact CD1-CG 4.25Å; F86-L117 HydrophobicContact CE1-CD1 3.99Å; F86-L117 HydrophobicContact CE1-CD2 4.2Å; F86-L117 HydrophobicContact CE1-CG 3.93Å; F86-V118 VanDerWaalsContact CD1-O 3.25Å; F86-V118 WeakPolarHBondContact CD1-O 3.19Å; F86-V118 PolarHBondContact N-O 3.19Å; F86-G119 VanDerWaalsContact CE1-CA 3.45Å; F86-G119 VanDerWaalsContact CZ-CA 3.46Å; F86-N120 PolarHBondContact O-N 2.82Å; F86-V130 HydrophobicContact CD2-CG2 4.33Å; F86-V130 HydrophobicContact CE2-CB 3.97Å; F86-V130 HydrophobicContact CE2-CG1 3.77Å; F86-V130 HydrophobicContact CE2-CG2 4.16Å; F86-V130 HydrophobicContact CZ-CG1 4.3Å; F86-A135 HydrophobicContact CE1-CB 4.34Å; F86-A135 HydrophobicContact CZ-CB 3.76Å; F86-Y146 AromaticContact CE1-CE2 3.76Å; F86-Y146 HydrophobicContact CE1-CE2 3.76Å; F86-Y146 AromaticContact CZ-CE2 3.81Å; F86-Y146 HydrophobicContact CZ-CE2 3.81Å
87	S	98.2	Very high	96.2	Very high	2 Å²	2	31.8 Å²	31.8	1%	0.014	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	131	172.6	-177.6	0	0	0	0	109.6	T89 D90 S93 K121	S87-T89 PolarHBondContact O-N 3.1Å; S87-T89 PolarHBondContact OG-N 2.87Å; S87-T89 PolarHBondContact OG-OG1 2.86Å; S87-D90 PolarHBondContact O-N 3.33Å; S87-S93 PolarHBondContact N-OG 3.21Å; S87-S93 PolarHBondContact O-OG 3.46Å; S87-K121 VanDerWaalsContact OG-CD 3.29Å; S87-K121 WeakPolarHBondContact OG-CD 3.37Å; S87-K121 WeakPolarHBondContact OG-CE 3.39Å
88	I	98.7	Very high	96.5	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-17.8	176.1	66	153.5	0	0	0	112.9	F86 N120 K121 V122 R128 N129 V130	F86-I88 HydrophobicContact CE2-CG2 4.23Å; I88-N120 WeakPolarHBondContact CG1-O 3.24Å; I88-N120 PolarHBondContact N-O 3.14Å; I88-K121 WeakPolarHBondContact CD1-O 3.5Å; I88-K121 WeakPolarHBondContact CG1-O 3.46Å; I88-V122 HydrophobicContact CD1-CB 4.38Å; I88-V122 HydrophobicContact CD1-CG1 4.16Å; I88-V122 HydrophobicContact CG2-CG1 4.23Å; I88-R128 HydrophobicContact CB-CG 4.49Å; I88-R128 HydrophobicContact CD1-CB 4.23Å; I88-R128 HydrophobicContact CD1-CG 4.36Å; I88-R128 CarbonylContact O-C 3.53Å; I88-R128 WeakPolarHBondContact O-CA 3.45Å; I88-N129 PolarHBondContact O-N 3.49Å; I88-V130 PolarHBondContact O-N 2.84Å
89	T	98.4	Very high	96.6	Very high	27 Å²	27	27.9 Å²	27.9	17%	0.166	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-6.1	178.8	71.3	0	0	0	0	113.5	S87 L124 Q127 N129	S87-T89 PolarHBondContact O-N 3.1Å; S87-T89 PolarHBondContact OG-N 2.87Å; S87-T89 PolarHBondContact OG-OG1 2.86Å; T89-L124 HydrophobicContact CG2-CB 3.73Å; T89-L124 HydrophobicContact CG2-CD1 4.09Å; T89-Q127 WeakPolarHBondContact CA-O 3.49Å; T89-Q127 HydrophobicContact CG2-CB 3.9Å; T89-N129 PolarHBondContact O-ND2 3.06Å
90	D	97.6	Very high	96.6	Very high	52 Å²	52	28.7 Å²	28.7	28%	0.278	15%	0.154	S	C	.	.			trans	-132.6	100.7	-174.2	179	6.7	0	0	0	110.6	S87 A92 S93 F94	S87-D90 PolarHBondContact O-N 3.33Å; D90-A92 VanDerWaalsContact C-N 3.27Å; D90-A92 PolarHBondContact O-N 2.8Å; D90-A92 WeakPolarHBondContact OD1-CB 3.29Å; D90-A92 PolarHBondContact OD1-N 2.92Å; D90-S93 WeakPolarHBondContact O-CB 3.43Å; D90-S93 PolarHBondContact O-N 3.16Å; D90-S93 PolarHBondContact O-OG 3.38Å; D90-S93 PolarHBondContact OD1-N 3.4Å; D90-S93 WeakPolarHBondContact OD2-CB 3.43Å; D90-F94 PolarHBondContact O-N 3.37Å
91	I	97.9	Very high	96.6	Very high	64 Å²	64	25.3 Å²	25.3	33%	0.328	14%	0.136	S	C	.	.	H	α-helix	trans	-64.9	-29.7	179.7	-163.9	169	0	0	0	112.9	S93 F94 Y95 N129 V130	I91-S93 VanDerWaalsContact C-N 3.32Å; I91-S93 PolarHBondContact O-N 2.92Å; I91-F94 PolarHBondContact O-N 2.93Å; I91-Y95 HydrophobicContact CD1-CE2 4.11Å; I91-Y95 WeakPolarHBondContact CD1-OH 3.43Å; I91-Y95 HydrophobicContact CG1-CD2 4.4Å; I91-Y95 HydrophobicContact CG1-CE1 4.33Å; I91-Y95 HydrophobicContact CG1-CE2 3.82Å; I91-Y95 PolarHBondContact O-N 2.86Å; I91-N129 HydrophobicContact CB-CB 4.41Å; I91-V130 HydrophobicContact CB-CG2 4.26Å; I91-V130 HydrophobicContact CG1-CG2 4.35Å
92	A	97.2	Very high	96.5	Very high	59 Å²	59	31.2 Å²	31.2	49%	0.488	16%	0.163	S	C	.	.	H	α-helix	trans	-67	-38.8	177	0	0	0	0	0	110.6	D90 F94 Y95 A96	D90-A92 VanDerWaalsContact C-N 3.27Å; D90-A92 PolarHBondContact O-N 2.8Å; D90-A92 WeakPolarHBondContact OD1-CB 3.29Å; D90-A92 PolarHBondContact OD1-N 2.92Å; A92-F94 PolarHBondContact O-N 3.23Å; A92-Y95 PolarHBondContact O-N 3.49Å; A92-A96 PolarHBondContact O-N 3.23Å
93	S	97	Very high	96.3	Very high	2 Å²	2	34.2 Å²	34.2	1%	0.014	18%	0.176	C	C	.	.	H	α-helix	trans	-61.2	-32.9	173.7	77.7	0	0	0	0	113.2	V15 S87 D90 I91	V15-S93 VanDerWaalsContact CG2-CB 3.44Å; S87-S93 PolarHBondContact N-OG 3.21Å; S87-S93 PolarHBondContact O-OG 3.46Å; D90-S93 WeakPolarHBondContact O-CB 3.43Å; D90-S93 PolarHBondContact O-N 3.16Å; D90-S93 PolarHBondContact O-OG 3.38Å; D90-S93 PolarHBondContact OD1-N 3.4Å; D90-S93 WeakPolarHBondContact OD2-CB 3.43Å; I91-S93 VanDerWaalsContact C-N 3.32Å; I91-S93 PolarHBondContact O-N 2.92Å
94	F	98.4	Very high	96.1	Very high	9 Å²	9	34 Å²	34	4%	0.039	18%	0.175	C	C	.	.	H	α-helix	trans	-73.1	-40.7	175.8	177.6	-109.4	0	0	0	112.1	F86 D90 I91 A92 A96 V97 L117 V130 E134 A135 Y138	F86-F94 HydrophobicContact CB-CB 4.38Å; F86-F94 AromaticContact CD1-CD2 3.95Å; F86-F94 HydrophobicContact CD1-CD2 3.95Å; F86-F94 HydrophobicContact CD2-CB 3.82Å; F86-F94 AromaticContact CD2-CD2 3.92Å; F86-F94 HydrophobicContact CD2-CD2 3.92Å; F86-F94 HydrophobicContact CD2-CG 4.3Å; F86-F94 AromaticContact CE1-CD2 3.89Å; F86-F94 HydrophobicContact CE1-CD2 3.89Å; F86-F94 HydrophobicContact CE1-CE2 4.29Å; F86-F94 HydrophobicContact CE2-CB 4.35Å; F86-F94 AromaticContact CE2-CD2 3.89Å; F86-F94 HydrophobicContact CE2-CD2 3.89Å; F86-F94 HydrophobicContact CE2-CG 4.44Å; F86-F94 HydrophobicContact CG-CB 4.15Å; F86-F94 AromaticContact CG-CD2 3.95Å; F86-F94 HydrophobicContact CG-CD2 3.95Å; F86-F94 AromaticContact CZ-CD2 3.88Å; F86-F94 HydrophobicContact CZ-CD2 3.88Å; F86-F94 HydrophobicContact CZ-CE2 4.32Å; D90-F94 PolarHBondContact O-N 3.37Å; I91-F94 PolarHBondContact O-N 2.93Å; A92-F94 PolarHBondContact O-N 3.23Å; F94-A96 VanDerWaalsContact C-N 3.31Å; F94-A96 PolarHBondContact O-N 2.94Å; F94-V97 HydrophobicContact CD2-CG2 4.45Å; F94-V97 WeakPolarHBondContact O-CB 3.48Å; F94-V97 WeakPolarHBondContact O-CG2 3.25Å; F94-V97 PolarHBondContact O-N 3.06Å; F94-L117 HydrophobicContact CE2-CD2 4.43Å; F94-V130 HydrophobicContact CB-CG1 4.25Å; F94-V130 HydrophobicContact CB-CG2 3.71Å; F94-V130 HydrophobicContact CD1-CG1 4Å; F94-V130 HydrophobicContact CD2-CG1 4.04Å; F94-V130 HydrophobicContact CE1-CG1 4.36Å; F94-V130 HydrophobicContact CE2-CG1 4.4Å; F94-V130 HydrophobicContact CG-CG1 3.82Å; F94-V130 HydrophobicContact CG-CG2 4.2Å; F94-E134 HydrophobicContact CE1-CG 3.68Å; F94-E134 HydrophobicContact CZ-CG 4.1Å; F94-A135 HydrophobicContact CE2-CB 3.93Å; F94-A135 HydrophobicContact CZ-CB 4.37Å; F94-Y138 HydrophobicContact CE2-CG 4.41Å; F94-Y138 HydrophobicContact CZ-CD2 4.4Å; F94-Y138 HydrophobicContact CZ-CG 4.05Å
95	Y	97	Very high	95.8	Very high	129 Å²	129	36.3 Å²	36.3	51%	0.506	19%	0.194	S	C	.	.	H	α-helix	trans	-64.4	-35.5	175.5	-66	-30.6	0	0	0	113	I91 A92 V97 N98	I91-Y95 HydrophobicContact CD1-CE2 4.11Å; I91-Y95 WeakPolarHBondContact CD1-OH 3.43Å; I91-Y95 HydrophobicContact CG1-CD2 4.4Å; I91-Y95 HydrophobicContact CG1-CE1 4.33Å; I91-Y95 HydrophobicContact CG1-CE2 3.82Å; I91-Y95 PolarHBondContact O-N 2.86Å; A92-Y95 PolarHBondContact O-N 3.49Å; Y95-V97 PolarHBondContact O-N 3.2Å; Y95-V97 VanDerWaalsContact O-N 3.15Å; Y95-N98 PolarHBondContact O-N 3.38Å
96	A	95.6	Very high	95.6	Very high	13 Å²	13	42.5 Å²	42.5	11%	0.107	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-14.1	175.6	0	0	0	0	0	114.1	V15 A92 F94 N98 D99 F100	V15-A96 HydrophobicContact CG1-CB 3.49Å; V15-A96 VanDerWaalsContact CG1-CB 3.49Å; A92-A96 PolarHBondContact O-N 3.23Å; F94-A96 VanDerWaalsContact C-N 3.31Å; F94-A96 PolarHBondContact O-N 2.94Å; A96-N98 PolarHBondContact O-N 2.83Å; A96-D99 PolarHBondContact O-N 3.05Å; A96-D99 VanDerWaalsContact O-N 3.12Å; A96-F100 HydrophobicContact CB-CE2 4.44Å; A96-F100 WeakPolarHBondContact O-CD2 2.99Å
97	V	96	Very high	95.3	Very high	1 Å²	1	43.3 Å²	43.3	1%	0.006	23%	0.231	C	C	.	.	H	α-helix	trans	-55.5	-35.2	174.5	173	0	0	0	0	111.3	I84 F86 F94 Y95 D99 F100 M101 L117 Y138	I84-V97 HydrophobicContact CG2-CB 4.37Å; I84-V97 HydrophobicContact CG2-CG1 4.01Å; I84-V97 HydrophobicContact CG2-CG2 4.13Å; F86-V97 HydrophobicContact CB-CG2 4.17Å; F86-V97 HydrophobicContact CD1-CG2 4.38Å; F94-V97 HydrophobicContact CD2-CG2 4.45Å; F94-V97 WeakPolarHBondContact O-CB 3.48Å; F94-V97 WeakPolarHBondContact O-CG2 3.25Å; F94-V97 PolarHBondContact O-N 3.06Å; Y95-V97 PolarHBondContact O-N 3.2Å; Y95-V97 VanDerWaalsContact O-N 3.15Å; V97-D99 VanDerWaalsContact C-N 3.33Å; V97-D99 PolarHBondContact O-N 3Å; V97-F100 PolarHBondContact O-N 3.41Å; V97-M101 HydrophobicContact CG1-CG 4.28Å; V97-M101 WeakPolarHBondContact O-CG 3.28Å; V97-M101 PolarHBondContact O-N 3.2Å; V97-L117 HydrophobicContact CB-CD1 4.5Å; V97-L117 HydrophobicContact CG1-CD1 3.7Å; V97-L117 HydrophobicContact CG2-CD1 3.92Å; V97-Y138 HydrophobicContact CG1-CE1 3.63Å
98	N	95.3	Very high	94.9	Very high	54 Å²	54	46.1 Å²	46.1	29%	0.289	24%	0.241	S	C	.	.	H	α-helix	trans	-61.7	-39.8	178.7	-77.4	-42	0	0	0	112.8	Y95 A96 F100 M101 E102 Y138	Y95-N98 PolarHBondContact O-N 3.38Å; A96-N98 PolarHBondContact O-N 2.83Å; N98-F100 VanDerWaalsContact C-N 3.3Å; N98-F100 PolarHBondContact O-N 2.97Å; N98-M101 PolarHBondContact O-N 3.43Å; N98-M101 VanDerWaalsContact O-N 3.16Å; N98-E102 WeakPolarHBondContact O-CB 3.46Å; N98-E102 WeakPolarHBondContact O-CG 3.31Å; N98-E102 PolarHBondContact O-N 3.32Å; N98-Y138 WeakPolarHBondContact OD1-CE2 3.1Å; N98-Y138 PolarHBondContact OD1-OH 3.1Å
99	D	93.7	Very high	94.1	Very high	85 Å²	85	50.9 Å²	50.9	46%	0.455	27%	0.267	S	S	.	.	H	α-helix	trans	-64.3	-39.9	-177.7	-55.2	-29.1	0	0	0	110.6	A96 V97 K103	A96-D99 PolarHBondContact O-N 3.05Å; A96-D99 VanDerWaalsContact O-N 3.12Å; V97-D99 VanDerWaalsContact C-N 3.33Å; V97-D99 PolarHBondContact O-N 3Å; D99-K103 WeakPolarHBondContact O-CB 3.49Å; D99-K103 PolarHBondContact O-N 2.85Å
100	F	93.6	Very high	92.9	Very high	21 Å²	21	52.5 Å²	52.5	9%	0.092	27%	0.274	C	S	.	.	H	α-helix	trans	-65.6	-44.1	173.3	-61.9	-69.7	0	0	0	112.1	L13 G14 V15 I84 A96 V97 N98 E102 K103 I104	L13-F100 HydrophobicContact CB-CB 4.5Å; L13-F100 HydrophobicContact CB-CD1 3.9Å; L13-F100 HydrophobicContact CB-CE1 4.38Å; L13-F100 HydrophobicContact CB-CG 4.16Å; L13-F100 HydrophobicContact CD1-CB 4.25Å; L13-F100 HydrophobicContact CD1-CD1 4.37Å; L13-F100 HydrophobicContact CD2-CD1 4.39Å; L13-F100 HydrophobicContact CG-CD1 4.46Å; G14-F100 VanDerWaalsContact C-CZ 3.42Å; G14-F100 VanDerWaalsContact CA-CE2 3.44Å; V15-F100 HydrophobicContact CG1-CE2 4.26Å; V15-F100 HydrophobicContact CG1-CZ 4.44Å; I84-F100 HydrophobicContact CD1-CB 4.16Å; I84-F100 HydrophobicContact CG2-CB 4.16Å; I84-F100 HydrophobicContact CG2-CD2 4.06Å; I84-F100 HydrophobicContact CG2-CG 4.33Å; A96-F100 HydrophobicContact CB-CE2 4.44Å; A96-F100 WeakPolarHBondContact O-CD2 2.99Å; V97-F100 PolarHBondContact O-N 3.41Å; N98-F100 VanDerWaalsContact C-N 3.3Å; N98-F100 PolarHBondContact O-N 2.97Å; F100-E102 VanDerWaalsContact C-N 3.35Å; F100-E102 PolarHBondContact O-N 2.81Å; F100-K103 PolarHBondContact O-N 3.15Å; F100-I104 VanDerWaalsContact O-CG1 3.31Å; F100-I104 WeakPolarHBondContact O-CG1 3.49Å; F100-I104 PolarHBondContact O-N 3.12Å
101	M	93.8	Very high	91.8	Very high	5 Å²	5	53.3 Å²	53.3	3%	0.025	30%	0.295	C	S	.	.	H	α-helix	trans	-61.5	-42.8	177.6	-72.2	-66.9	-69.9	0	0	111.7	I84 V97 N98 I104 A105 I115 K142 I144	I84-M101 HydrophobicContact CD1-CG 3.81Å; I84-M101 HydrophobicContact CD1-SD 3.38Å; I84-M101 WeakPolarHBondContact CD1-SD 3.18Å; V97-M101 HydrophobicContact CG1-CG 4.28Å; V97-M101 WeakPolarHBondContact O-CG 3.28Å; V97-M101 PolarHBondContact O-N 3.2Å; N98-M101 PolarHBondContact O-N 3.43Å; N98-M101 VanDerWaalsContact O-N 3.16Å; M101-I104 PolarHBondContact O-N 2.85Å; M101-A105 WeakPolarHBondContact O-CB 3.26Å; M101-A105 PolarHBondContact O-N 2.82Å; M101-I115 HydrophobicContact CE-CD1 4.15Å; M101-I115 HydrophobicContact SD-CD1 3.93Å; M101-I115 HydrophobicContact SD-CG2 4.08Å; M101-K142 HydrophobicContact CE-CB 4Å; M101-K142 HydrophobicContact CE-CD 4.12Å; M101-K142 HydrophobicContact CE-CG 4.14Å; M101-I144 HydrophobicContact CE-CD1 4.26Å; M101-I144 HydrophobicContact CE-CG2 4.41Å; M101-I144 HydrophobicContact SD-CD1 4.28Å
102	E	92.8	Very high	91	Very high	125 Å²	125	57.5 Å²	57.5	58%	0.584	31%	0.312	S	S	*	.	H	α-helix	trans	-65.4	-41.1	176.3	-73	179.1	-172.5	0	0	111.7	N98 F100 I104 A105 L106	N98-E102 WeakPolarHBondContact O-CB 3.46Å; N98-E102 WeakPolarHBondContact O-CG 3.31Å; N98-E102 PolarHBondContact O-N 3.32Å; F100-E102 VanDerWaalsContact C-N 3.35Å; F100-E102 PolarHBondContact O-N 2.81Å; E102-I104 PolarHBondContact O-N 2.82Å; E102-A105 WeakPolarHBondContact O-CB 3.46Å; E102-A105 PolarHBondContact O-N 2.93Å; E102-L106 PolarHBondContact O-N 3.32Å
103	K	91.2	Very high	90.7	Very high	66 Å²	66	55 Å²	55	29%	0.287	29%	0.291	S	S	.	.	H	α-helix	trans	-64.3	-39.2	175.6	-170	63.9	174.8	175.2	0	112.1	E73 Y76 D99 F100 L106 L107	E73-K103 IonicContact OE1-NZ 2.79Å; E73-K103 PolarHBondContact OE1-NZ 2.79Å; Y76-K103 HydrophobicContact CD1-CG 4.49Å; Y76-K103 HydrophobicContact CD2-CG 4.23Å; Y76-K103 HydrophobicContact CE1-CB 4.31Å; Y76-K103 HydrophobicContact CE1-CG 4.04Å; Y76-K103 HydrophobicContact CE2-CG 3.69Å; D99-K103 WeakPolarHBondContact O-CB 3.49Å; D99-K103 PolarHBondContact O-N 2.85Å; F100-K103 PolarHBondContact O-N 3.15Å; K103-L106 PolarHBondContact O-N 2.97Å; K103-L107 HydrophobicContact CD-CD1 4.27Å; K103-L107 HydrophobicContact CG-CD1 4.39Å; K103-L107 WeakPolarHBondContact O-CG 3.34Å; K103-L107 PolarHBondContact O-N 2.86Å
104	I	93	Very high	90.6	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-61.8	-48.8	171.9	-65.3	165.8	0	0	0	109.6	L13 Y76 F82 I84 F100 M101 E102 L106 L107 R108 I110 V113 I115	L13-I104 HydrophobicContact CD1-CD1 3.85Å; L13-I104 HydrophobicContact CD1-CG1 4.27Å; Y76-I104 HydrophobicContact CD1-CG1 3.84Å; Y76-I104 HydrophobicContact CE1-CG1 3.69Å; F82-I104 HydrophobicContact CB-CD1 3.99Å; F82-I104 HydrophobicContact CD2-CD1 3.76Å; F82-I104 HydrophobicContact CD2-CG1 4.04Å; F82-I104 HydrophobicContact CD2-CG2 4.33Å; F82-I104 HydrophobicContact CE2-CD1 4.49Å; F82-I104 HydrophobicContact CE2-CG1 4.28Å; F82-I104 HydrophobicContact CE2-CG2 4.35Å; F82-I104 HydrophobicContact CG-CD1 3.86Å; F82-I104 HydrophobicContact CG-CG1 4.38Å; I84-I104 HydrophobicContact CD1-CD1 4.05Å; F100-I104 VanDerWaalsContact O-CG1 3.31Å; F100-I104 WeakPolarHBondContact O-CG1 3.49Å; F100-I104 PolarHBondContact O-N 3.12Å; M101-I104 PolarHBondContact O-N 2.85Å; E102-I104 PolarHBondContact O-N 2.82Å; I104-L106 PolarHBondContact O-N 2.84Å; I104-L107 PolarHBondContact O-N 2.91Å; I104-R108 HydrophobicContact CG2-CB 4.11Å; I104-R108 WeakPolarHBondContact O-CA 3.37Å; I104-R108 WeakPolarHBondContact O-CB 3.16Å; I104-R108 PolarHBondContact O-N 3.18Å; I104-R108 VanDerWaalsContact O-O 3.14Å; I104-I110 HydrophobicContact CG2-CG1 4.3Å; I104-V113 HydrophobicContact CG2-CG1 3.82Å; I104-I115 HydrophobicContact CD1-CD1 3.87Å; I104-I115 HydrophobicContact CD1-CG1 4.35Å; I104-I115 HydrophobicContact CG2-CD1 4.1Å
105	A	92.1	Very high	90.5	Very high	49 Å²	49	59.5 Å²	59.5	41%	0.405	32%	0.32	S	S	.	.	H	α-helix	trans	-55.2	-35.8	178.7	0	0	0	0	0	113.9	M101 E102 L107 R108 I110	M101-A105 WeakPolarHBondContact O-CB 3.26Å; M101-A105 PolarHBondContact O-N 2.82Å; E102-A105 WeakPolarHBondContact O-CB 3.46Å; E102-A105 PolarHBondContact O-N 2.93Å; A105-L107 VanDerWaalsContact C-N 3.33Å; A105-R108 CarbonylContact C-O 3.59Å; A105-R108 VanDerWaalsContact O-O 3.13Å; A105-I110 HydrophobicContact CB-CD1 3.29Å; A105-I110 HydrophobicContact CB-CG1 3.93Å
106	L	92.1	Very high	90.6	Very high	130 Å²	130	54.5 Å²	54.5	68%	0.681	30%	0.302	S	S	*	.	H	α-helix	trans	-70.8	-31.1	-179.8	-173.8	67	0	0	0	112.4	E102 K103 I104	E102-L106 PolarHBondContact O-N 3.32Å; K103-L106 PolarHBondContact O-N 2.97Å; I104-L106 PolarHBondContact O-N 2.84Å
107	L	92	Very high	90.7	Very high	17 Å²	17	53.9 Å²	53.9	9%	0.089	30%	0.297	C	S	.	.	H	α-helix	trans	-109.6	-18.9	-169.7	-59.9	179.7	0	0	0	113.5	E73 Y76 R77 K103 I104 A105	E73-L107 HydrophobicContact CB-CD1 4.14Å; E73-L107 HydrophobicContact CG-CD1 4.18Å; Y76-L107 VanDerWaalsContact CB-CD1 3.42Å; Y76-L107 HydrophobicContact CD2-CD1 4.01Å; Y76-L107 HydrophobicContact CG-CD1 3.8Å; R77-L107 HydrophobicContact CG-CB 4.33Å; R77-L107 PolarHBondContact NH1-O 2.97Å; K103-L107 HydrophobicContact CD-CD1 4.27Å; K103-L107 HydrophobicContact CG-CD1 4.39Å; K103-L107 WeakPolarHBondContact O-CG 3.34Å; K103-L107 PolarHBondContact O-N 2.86Å; I104-L107 PolarHBondContact O-N 2.91Å; A105-L107 VanDerWaalsContact C-N 3.33Å
108	R	90.6	Very high	90.8	Very high	60 Å²	60	53.9 Å²	53.9	23%	0.226	30%	0.297	C	S	.	.	S	Bend	trans	-140	151	-175.8	-59.9	-64.3	-72.5	-82.3	4.2	109.9	Y76 R77 C79 I104 A105 I110 V113	Y76-R108 WeakPolarHBondContact O-CD 3.16Å; Y76-R108 WeakPolarHBondContact O-CG 3.28Å; Y76-R108 PolarHBondContact O-NH1 2.95Å; R77-R108 PolarHBondContact O-NH1 2.78Å; C79-R108 PolarHBondContact O-NH1 2.93Å; C79-R108 PolarHBondContact O-NH2 3.5Å; I104-R108 HydrophobicContact CG2-CB 4.11Å; I104-R108 WeakPolarHBondContact O-CA 3.37Å; I104-R108 WeakPolarHBondContact O-CB 3.16Å; I104-R108 PolarHBondContact O-N 3.18Å; I104-R108 VanDerWaalsContact O-O 3.14Å; A105-R108 CarbonylContact C-O 3.59Å; A105-R108 VanDerWaalsContact O-O 3.13Å; R108-I110 PolarHBondContact O-N 2.83Å; R108-V113 HydrophobicContact CB-CG1 4.07Å
109	D	81.5	Confident	91	Very high	101 Å²	101	51.3 Å²	51.3	54%	0.54	28%	0.283	S	S	.	.			trans	-74.5	111.3	163.7	-174.2	-10.5	0	0	0	108.8	G111 H112	D109-G111 PolarHBondContact O-N 2.84Å; D109-G111 VanDerWaalsContact O-N 3.12Å; D109-G111 PolarHBondContact OD1-N 2.98Å; D109-G111 VanDerWaalsContact OD1-N 3.11Å; D109-H112 HydrophobicContact CB-CB 4.41Å; D109-H112 PolarHBondContact O-N 3.01Å; D109-H112 IonicContact OD1-ND1 3.8Å; D109-H112 IonicContact OD2-CE1 3.18Å; D109-H112 PolarHBondContact OD2-CE1 3.48Å; D109-H112 IonicContact OD2-ND1 2.79Å; D109-H112 PolarHBondContact OD2-ND1 2.94Å
110	I	72.2	Confident	91.2	Very high	61 Å²	61	47.5 Å²	47.5	31%	0.313	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-55.9	-30.5	-177.7	-65.1	165.6	0	0	0	111.2	I104 A105 R108 H112 I115	I104-I110 HydrophobicContact CG2-CG1 4.3Å; A105-I110 HydrophobicContact CB-CD1 3.29Å; A105-I110 HydrophobicContact CB-CG1 3.93Å; R108-I110 PolarHBondContact O-N 2.83Å; I110-H112 PolarHBondContact O-N 2.91Å; I110-H112 VanDerWaalsContact O-N 3.16Å; I110-I115 HydrophobicContact CG2-CD1 4.17Å
111	G	74.4	Confident	91.4	Very high	69 Å²	69	49 Å²	49	71%	0.711	27%	0.269	S	S	*	.	G	3₁₀ helix	trans	-67.1	-13.1	178	0	0	0	0	0	114.5	D109	D109-G111 PolarHBondContact O-N 2.84Å; D109-G111 VanDerWaalsContact O-N 3.12Å; D109-G111 PolarHBondContact OD1-N 2.98Å; D109-G111 VanDerWaalsContact OD1-N 3.11Å
112	H	80.9	Confident	91.7	Very high	151 Å²	151	50 Å²	50	70%	0.699	28%	0.276	S	S	*	.	G	3₁₀ helix	trans	-117	-3.7	-173	-68.4	88.3	0	0	0	113.9	D109 I110	D109-H112 HydrophobicContact CB-CB 4.41Å; D109-H112 PolarHBondContact O-N 3.01Å; D109-H112 IonicContact OD1-ND1 3.8Å; D109-H112 IonicContact OD2-CE1 3.18Å; D109-H112 PolarHBondContact OD2-CE1 3.48Å; D109-H112 IonicContact OD2-ND1 2.79Å; D109-H112 PolarHBondContact OD2-ND1 2.94Å; I110-H112 PolarHBondContact O-N 2.91Å; I110-H112 VanDerWaalsContact O-N 3.16Å
113	V	92.4	Very high	91.9	Very high	8 Å²	8	46.7 Å²	46.7	5%	0.048	26%	0.262	C	S	.	.	S	Bend	trans	-119	119.5	177.6	63.4	0	0	0	0	110.3	F82 I104 R108 I115	F82-V113 HydrophobicContact CD2-CG2 3.78Å; F82-V113 HydrophobicContact CE2-CG2 3.73Å; I104-V113 HydrophobicContact CG2-CG1 3.82Å; R108-V113 HydrophobicContact CB-CG1 4.07Å; V113-I115 HydrophobicContact CG1-CD1 4.48Å; V113-I115 HydrophobicContact CG1-CG1 4.49Å; V113-I115 PolarHBondContact O-N 3.4Å
114	P	94.9	Very high	92.2	Very high	92 Å²	92	45.7 Å²	45.7	60%	0.597	26%	0.26	S	S	*	.			trans	-57.4	133.3	173.7	-25.7	33.8	0	0	0	112.2	D80 G81 F82	D80-P114 WeakPolarHBondContact O-CD 3.09Å; G81-P114 VanDerWaalsContact CA-O 3.28Å; G81-P114 WeakPolarHBondContact CA-O 3.36Å; F82-P114 PolarHBondContact N-O 3.21Å
115	I	96.2	Very high	92.4	Very high	12 Å²	12	48.6 Å²	48.6	6%	0.062	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	133.7	176.7	-57.7	171.1	0	0	0	108.6	F82 I84 M101 I104 I110 V113 I144	F82-I115 HydrophobicContact CB-CG1 4.45Å; F82-I115 VanDerWaalsContact O-CA 3.31Å; F82-I115 WeakPolarHBondContact O-CA 3.35Å; I84-I115 HydrophobicContact CD1-CG2 3.8Å; I84-I115 HydrophobicContact CG1-CG2 4.1Å; M101-I115 HydrophobicContact CE-CD1 4.15Å; M101-I115 HydrophobicContact SD-CD1 3.93Å; M101-I115 HydrophobicContact SD-CG2 4.08Å; I104-I115 HydrophobicContact CD1-CD1 3.87Å; I104-I115 HydrophobicContact CD1-CG1 4.35Å; I104-I115 HydrophobicContact CG2-CD1 4.1Å; I110-I115 HydrophobicContact CG2-CD1 4.17Å; V113-I115 HydrophobicContact CG1-CD1 4.48Å; V113-I115 HydrophobicContact CG1-CG1 4.49Å; V113-I115 PolarHBondContact O-N 3.4Å; I115-I144 HydrophobicContact CB-CG2 3.91Å; I115-I144 HydrophobicContact CG2-CD1 4.2Å; I115-I144 HydrophobicContact CG2-CG2 4.26Å
116	I	97.6	Very high	92.7	Very high	25 Å²	25	53 Å²	53	13%	0.128	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	131	170.5	-56.4	176.1	0	0	0	108.6	F82 I84 V118 I147	F82-I116 PolarHBondContact O-N 3.25Å; I84-I116 PolarHBondContact N-O 3.37Å; I116-V118 HydrophobicContact CG2-CG2 3.91Å; I116-I147 HydrophobicContact CG2-CD1 3.98Å; I116-I147 HydrophobicContact CG2-CG1 4.16Å
117	L	98.4	Very high	92.9	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	125.2	168.3	-178.9	65.7	0	0	0	109.6	F86 F94 V97 Y138 A139 I144 E145 Y146 I147	F86-L117 HydrophobicContact CD1-CD1 3.8Å; F86-L117 HydrophobicContact CD1-CG 4.25Å; F86-L117 HydrophobicContact CE1-CD1 3.99Å; F86-L117 HydrophobicContact CE1-CD2 4.2Å; F86-L117 HydrophobicContact CE1-CG 3.93Å; F94-L117 HydrophobicContact CE2-CD2 4.43Å; V97-L117 HydrophobicContact CB-CD1 4.5Å; V97-L117 HydrophobicContact CG1-CD1 3.7Å; V97-L117 HydrophobicContact CG2-CD1 3.92Å; L117-Y138 HydrophobicContact CD2-CD1 3.83Å; L117-Y138 HydrophobicContact CD2-CE1 4.39Å; L117-A139 HydrophobicContact CD2-CB 4.07Å; L117-I144 HydrophobicContact CB-CD1 3.92Å; L117-I144 HydrophobicContact CB-CG1 4.48Å; L117-E145 WeakPolarHBondContact CB-O 3.37Å; L117-E145 PolarHBondContact N-O 2.99Å; L117-Y146 HydrophobicContact CB-CD2 4.26Å; L117-Y146 HydrophobicContact CD2-CD2 3.91Å; L117-Y146 HydrophobicContact CD2-CE2 4.49Å; L117-Y146 HydrophobicContact CG-CD2 3.93Å; L117-Y146 HydrophobicContact CG-CE2 4.5Å; L117-Y146 WeakPolarHBondContact O-CA 3.45Å; L117-Y146 WeakPolarHBondContact O-CD2 3.28Å; L117-I147 PolarHBondContact O-N 3.31Å
118	V	98.8	Very high	93.3	Very high	1 Å²	1	53.9 Å²	53.9	1%	0.006	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	117.9	-178.2	175.6	0	0	0	0	111.2	L23 I83 I84 V85 F86 I116 I147 T149 G160	L23-V118 HydrophobicContact CD1-CG1 4.04Å; I83-V118 HydrophobicContact CG2-CB 4.27Å; I83-V118 HydrophobicContact CG2-CG2 3.59Å; I84-V118 PolarHBondContact O-N 3.38Å; V85-V118 WeakPolarHBondContact CA-O 3.05Å; V85-V118 HydrophobicContact CG1-CG1 4.37Å; V85-V118 HydrophobicContact CG2-CB 4.31Å; F86-V118 VanDerWaalsContact CD1-O 3.25Å; F86-V118 WeakPolarHBondContact CD1-O 3.19Å; F86-V118 PolarHBondContact N-O 3.19Å; I116-V118 HydrophobicContact CG2-CG2 3.91Å; V118-I147 CarbonylContact C-O 3.46Å; V118-I147 VanDerWaalsContact CA-O 3.31Å; V118-I147 WeakPolarHBondContact CA-O 3.47Å; V118-T149 HydrophobicContact CG1-CG2 3.68Å; V118-T149 WeakPolarHBondContact CG1-OG1 3.46Å; V118-G160 WeakPolarHBondContact CG2-O 3.47Å
119	G	98.8	Very high	93.6	Very high	0 Å²	0	56 Å²	56	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	96	169.9	0	0	0	0	0	110.7	F86 I147 E148 T149	F86-G119 VanDerWaalsContact CE1-CA 3.45Å; F86-G119 VanDerWaalsContact CZ-CA 3.46Å; G119-I147 PolarHBondContact N-O 3.18Å; G119-E148 CarbonylContact O-C 3.36Å; G119-E148 WeakPolarHBondContact O-CA 3.2Å; G119-T149 PolarHBondContact O-N 3.41Å
120	N	98.7	Very high	94.4	Very high	4 Å²	4	51.2 Å²	51.2	2%	0.021	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	167.4	-176	-168.6	25.9	0	0	0	112.6	V18 L23 V85 F86 I88 T149 A151	V18-N120 PolarHBondContact O-ND2 3.22Å; L23-N120 HydrophobicContact CD1-CB 4.2Å; V85-N120 HydrophobicContact CG1-CB 3.9Å; F86-N120 PolarHBondContact O-N 2.82Å; I88-N120 WeakPolarHBondContact CG1-O 3.24Å; I88-N120 PolarHBondContact N-O 3.14Å; N120-T149 CarbonylContact C-O 3.59Å; N120-T149 WeakPolarHBondContact CA-O 3.39Å; N120-T149 WeakPolarHBondContact CA-OG1 3.47Å; N120-T149 PolarHBondContact OD1-O 3.42Å; N120-T149 PolarHBondContact OD1-OG1 2.94Å; N120-A151 PolarHBondContact OD1-N 3.25Å
121	K	98	Very high	95.6	Very high	52 Å²	52	51 Å²	51	23%	0.226	29%	0.292	C	S	.	.			trans	72.1	36.5	177.7	-44.3	-166.1	-166.1	178.9	0	114.6	T17 S87 I88 D123 L124 T149	T17-K121 VanDerWaalsContact O-CE 3.25Å; T17-K121 WeakPolarHBondContact O-CE 3.49Å; T17-K121 PolarHBondContact O-NZ 2.82Å; S87-K121 VanDerWaalsContact OG-CD 3.29Å; S87-K121 WeakPolarHBondContact OG-CD 3.37Å; S87-K121 WeakPolarHBondContact OG-CE 3.39Å; I88-K121 WeakPolarHBondContact CD1-O 3.5Å; I88-K121 WeakPolarHBondContact CG1-O 3.46Å; K121-D123 WeakPolarHBondContact CA-OD1 3.37Å; K121-D123 PolarHBondContact O-N 2.91Å; K121-L124 HydrophobicContact CB-CD1 4.28Å; K121-L124 HydrophobicContact CB-CG 4.46Å; K121-L124 HydrophobicContact CD-CD1 4.23Å; K121-L124 WeakPolarHBondContact O-CB 3.33Å; K121-L124 PolarHBondContact O-N 3.16Å; K121-T149 PolarHBondContact N-O 3.3Å
122	V	98.5	Very high	96.8	Very high	27 Å²	27	53.1 Å²	53.1	16%	0.164	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-66.2	-14.4	177.6	-59	0	0	0	0	114.8	I88 L124 A125 E148 T149	I88-V122 HydrophobicContact CD1-CB 4.38Å; I88-V122 HydrophobicContact CD1-CG1 4.16Å; I88-V122 HydrophobicContact CG2-CG1 4.23Å; V122-L124 PolarHBondContact O-N 3.4Å; V122-A125 PolarHBondContact O-N 2.96Å; V122-E148 HydrophobicContact CG1-CB 3.66Å; V122-E148 HydrophobicContact CG1-CG 4.08Å; V122-T149 WeakPolarHBondContact CG2-O 3.47Å; V122-T149 PolarHBondContact N-O 3.1Å; V122-T149 VanDerWaalsContact N-O 3.11Å
123	D	98.1	Very high	97.6	Very high	55 Å²	55	55 Å²	55	29%	0.294	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-62.3	-20.2	166.5	59.2	-72.2	0	0	0	113	K121 S150 K152 T153	K121-D123 WeakPolarHBondContact CA-OD1 3.37Å; K121-D123 PolarHBondContact O-N 2.91Å; D123-S150 VanDerWaalsContact CG-OG 3.26Å; D123-S150 WeakPolarHBondContact OD1-CB 3.29Å; D123-S150 PolarHBondContact OD1-OG 2.95Å; D123-K152 WeakPolarHBondContact OD2-CD 3.34Å; D123-T153 HydrophobicContact CB-CG2 4Å
124	L	97.7	Very high	97.8	Very high	46 Å²	46	57.5 Å²	57.5	24%	0.241	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-99.8	36.8	175.7	-55.2	-178	0	0	0	112.3	T89 K121 V122 N126 Q127	T89-L124 HydrophobicContact CG2-CB 3.73Å; T89-L124 HydrophobicContact CG2-CD1 4.09Å; K121-L124 HydrophobicContact CB-CD1 4.28Å; K121-L124 HydrophobicContact CB-CG 4.46Å; K121-L124 HydrophobicContact CD-CD1 4.23Å; K121-L124 WeakPolarHBondContact O-CB 3.33Å; K121-L124 PolarHBondContact O-N 3.16Å; V122-L124 PolarHBondContact O-N 3.4Å; L124-N126 PolarHBondContact O-N 3.37Å; L124-Q127 HydrophobicContact CB-CB 4.44Å; L124-Q127 WeakPolarHBondContact O-CA 3.39Å; L124-Q127 PolarHBondContact O-N 3.43Å
125	A	96.6	Very high	98	Very high	61 Å²	61	53.1 Å²	53.1	50%	0.504	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-54.9	-28.1	-176.6	0	0	0	0	0	114.3	V122 Q127 R128	V122-A125 PolarHBondContact O-N 2.96Å; A125-Q127 PolarHBondContact O-N 2.68Å; A125-R128 WeakPolarHBondContact O-CB 3.4Å; A125-R128 PolarHBondContact O-N 3.47Å
126	N	97.7	Very high	98.1	Very high	142 Å²	142	58.6 Å²	58.6	76%	0.759	29%	0.291	S	S	*	.	G	3₁₀ helix	trans	-70.9	-14.1	175.1	64.7	-28.7	0	0	0	114.2	L124	L124-N126 PolarHBondContact O-N 3.37Å
127	Q	98.1	Very high	98.1	Very high	103 Å²	103	60.2 Å²	60.2	48%	0.481	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	-109.3	13.1	177.4	-59.2	176	40.4	0	0	111.9	T89 L124 A125 N129	T89-Q127 WeakPolarHBondContact CA-O 3.49Å; T89-Q127 HydrophobicContact CG2-CB 3.9Å; L124-Q127 HydrophobicContact CB-CB 4.44Å; L124-Q127 WeakPolarHBondContact O-CA 3.39Å; L124-Q127 PolarHBondContact O-N 3.43Å; A125-Q127 PolarHBondContact O-N 2.68Å; Q127-N129 PolarHBondContact O-N 3.16Å
128	R	98.5	Very high	98.1	Very high	62 Å²	62	60.8 Å²	60.8	23%	0.234	30%	0.302	C	S	.	.			trans	-62.2	124.4	-177.1	179.8	179.2	-73.2	-90.4	8.2	111.1	I88 A125 V130 E148	I88-R128 HydrophobicContact CB-CG 4.49Å; I88-R128 HydrophobicContact CD1-CB 4.23Å; I88-R128 HydrophobicContact CD1-CG 4.36Å; I88-R128 CarbonylContact O-C 3.53Å; I88-R128 WeakPolarHBondContact O-CA 3.45Å; A125-R128 WeakPolarHBondContact O-CB 3.4Å; A125-R128 PolarHBondContact O-N 3.47Å; R128-V130 WeakPolarHBondContact CD-O 3.38Å; R128-V130 WeakPolarHBondContact CG-O 3.31Å; R128-V130 PolarHBondContact NH1-O 2.68Å; R128-E148 IonicContact CZ-OE1 3.26Å; R128-E148 VanDerWaalsContact CZ-OE1 3.26Å; R128-E148 IonicContact CZ-OE2 3.95Å; R128-E148 IonicContact NH1-OE1 2.77Å; R128-E148 PolarHBondContact NH1-OE1 3.29Å; R128-E148 IonicContact NH2-OE1 2.86Å; R128-E148 PolarHBondContact NH2-OE1 2.99Å; R128-E148 IonicContact NH2-OE2 2.9Å; R128-E148 PolarHBondContact NH2-OE2 2.93Å
129	N	98.1	Very high	98.1	Very high	105 Å²	105	60.9 Å²	60.9	56%	0.561	30%	0.303	S	S	*	.			trans	-111.8	-12.8	172.4	-73	-49.4	0	0	0	113	I88 T89 I91 Q127	I88-N129 PolarHBondContact O-N 3.49Å; T89-N129 PolarHBondContact O-ND2 3.06Å; I91-N129 HydrophobicContact CB-CB 4.41Å; Q127-N129 PolarHBondContact O-N 3.16Å
130	V	98.3	Very high	98.1	Very high	0 Å²	0	63.7 Å²	63.7	0%	0	33%	0.326	C	S	.	.	S	Bend	trans	-112.8	118	174.8	-174.6	0	0	0	0	109.3	F86 I88 I91 F94 R128 A135	F86-V130 HydrophobicContact CD2-CG2 4.33Å; F86-V130 HydrophobicContact CE2-CB 3.97Å; F86-V130 HydrophobicContact CE2-CG1 3.77Å; F86-V130 HydrophobicContact CE2-CG2 4.16Å; F86-V130 HydrophobicContact CZ-CG1 4.3Å; I88-V130 PolarHBondContact O-N 2.84Å; I91-V130 HydrophobicContact CB-CG2 4.26Å; I91-V130 HydrophobicContact CG1-CG2 4.35Å; F94-V130 HydrophobicContact CB-CG1 4.25Å; F94-V130 HydrophobicContact CB-CG2 3.71Å; F94-V130 HydrophobicContact CD1-CG1 4Å; F94-V130 HydrophobicContact CD2-CG1 4.04Å; F94-V130 HydrophobicContact CE1-CG1 4.36Å; F94-V130 HydrophobicContact CE2-CG1 4.4Å; F94-V130 HydrophobicContact CG-CG1 3.82Å; F94-V130 HydrophobicContact CG-CG2 4.2Å; R128-V130 WeakPolarHBondContact CD-O 3.38Å; R128-V130 WeakPolarHBondContact CG-O 3.31Å; R128-V130 PolarHBondContact NH1-O 2.68Å; V130-A135 HydrophobicContact CG1-CB 4.35Å
131	S	97.9	Very high	98	Very high	57 Å²	57	72 Å²	72	40%	0.399	36%	0.357	S	S	.	.			trans	-70.6	145.5	179.8	77.2	0	0	0	0	111.1	R133 E134 A135	S131-R133 PolarHBondContact O-N 2.79Å; S131-E134 PolarHBondContact O-N 2.9Å; S131-E134 VanDerWaalsContact O-N 3.16Å; S131-E134 VanDerWaalsContact OG-CB 3.23Å; S131-E134 WeakPolarHBondContact OG-CB 3.37Å; S131-E134 PolarHBondContact OG-N 3.49Å; S131-E134 VanDerWaalsContact OG-N 3.09Å; S131-A135 PolarHBondContact O-N 2.76Å
132	Q	97.8	Very high	97.8	Very high	113 Å²	113	73.5 Å²	73.5	53%	0.528	36%	0.364	S	S	.	.	H	α-helix	trans	-54.2	-39.8	174.8	-80.7	177.1	-2.7	0	0	112.1	F136 E148	Q132-F136 VanDerWaalsContact O-CB 3.26Å; Q132-F136 WeakPolarHBondContact O-CB 3.15Å; Q132-F136 PolarHBondContact O-N 3.02Å; Q132-E148 WeakPolarHBondContact CG-OE1 3.5Å; Q132-E148 PolarHBondContact NE2-OE2 3.4Å
133	R	98.1	Very high	97.7	Very high	189 Å²	189	79.4 Å²	79.4	71%	0.713	40%	0.395	S	S	*	.	H	α-helix	trans	-63.4	-45.2	179	-179.4	175.2	179.6	169.4	2.4	112.2	S131 A135 F136 D137	S131-R133 PolarHBondContact O-N 2.79Å; R133-A135 PolarHBondContact O-N 2.97Å; R133-F136 PolarHBondContact O-N 3.49Å; R133-D137 WeakPolarHBondContact CG-OD2 3.48Å; R133-D137 IonicContact NE-OD2 3.59Å; R133-D137 VanDerWaalsContact O-CB 3.28Å; R133-D137 WeakPolarHBondContact O-CB 3.36Å; R133-D137 PolarHBondContact O-N 2.74Å
134	E	97.7	Very high	97.6	Very high	62 Å²	62	78 Å²	78	29%	0.29	39%	0.386	S	S	.	.	H	α-helix	trans	-61.6	-44.9	-179.7	-178.3	179.9	-158.7	0	0	111.7	F94 S131 Y138	F94-E134 HydrophobicContact CE1-CG 3.68Å; F94-E134 HydrophobicContact CZ-CG 4.1Å; S131-E134 PolarHBondContact O-N 2.9Å; S131-E134 VanDerWaalsContact O-N 3.16Å; S131-E134 VanDerWaalsContact OG-CB 3.23Å; S131-E134 WeakPolarHBondContact OG-CB 3.37Å; S131-E134 PolarHBondContact OG-N 3.49Å; S131-E134 VanDerWaalsContact OG-N 3.09Å; E134-Y138 WeakPolarHBondContact O-CB 3.46Å; E134-Y138 PolarHBondContact O-N 3.38Å
135	A	98.5	Very high	97.6	Very high	0 Å²	0	81.4 Å²	81.4	0%	0	40%	0.401	C	S	.	.	H	α-helix	trans	-67.1	-41.6	177.4	0	0	0	0	0	112.4	F86 F94 V130 S131 R133 Y138 A139 Y146	F86-A135 HydrophobicContact CE1-CB 4.34Å; F86-A135 HydrophobicContact CZ-CB 3.76Å; F94-A135 HydrophobicContact CE2-CB 3.93Å; F94-A135 HydrophobicContact CZ-CB 4.37Å; V130-A135 HydrophobicContact CG1-CB 4.35Å; S131-A135 PolarHBondContact O-N 2.76Å; R133-A135 PolarHBondContact O-N 2.97Å; A135-Y138 WeakPolarHBondContact O-CB 3.48Å; A135-Y138 PolarHBondContact O-N 2.93Å; A135-A139 PolarHBondContact O-N 3.43Å; A135-Y146 HydrophobicContact CB-CD1 4.39Å; A135-Y146 HydrophobicContact CB-CD2 4.29Å; A135-Y146 HydrophobicContact CB-CE1 3.8Å; A135-Y146 HydrophobicContact CB-CE2 3.69Å; A135-Y146 WeakPolarHBondContact CB-OH 3.31Å
136	F	98.5	Very high	97.6	Very high	126 Å²	126	80.4 Å²	80.4	55%	0.553	39%	0.385	S	S	*	.	H	α-helix	trans	-62.9	-49	175.4	-177.5	-90.6	0	0	0	112	Q132 R133 Y138 A139 A140 Y146	Q132-F136 VanDerWaalsContact O-CB 3.26Å; Q132-F136 WeakPolarHBondContact O-CB 3.15Å; Q132-F136 PolarHBondContact O-N 3.02Å; R133-F136 PolarHBondContact O-N 3.49Å; F136-Y138 PolarHBondContact O-N 3.2Å; F136-A139 PolarHBondContact O-N 3.39Å; F136-A140 WeakPolarHBondContact O-CB 3.3Å; F136-A140 PolarHBondContact O-N 3.13Å; F136-Y146 HydrophobicContact CB-CD1 4.24Å
137	D	98.5	Very high	97.7	Very high	59 Å²	59	74.4 Å²	74.4	32%	0.316	35%	0.352	S	S	.	.	H	α-helix	trans	-62	-35	179.2	-71.9	-16	0	0	0	110.8	R133 R141	R133-D137 WeakPolarHBondContact CG-OD2 3.48Å; R133-D137 IonicContact NE-OD2 3.59Å; R133-D137 VanDerWaalsContact O-CB 3.28Å; R133-D137 WeakPolarHBondContact O-CB 3.36Å; R133-D137 PolarHBondContact O-N 2.74Å; D137-R141 WeakPolarHBondContact O-CG 3.19Å; D137-R141 PolarHBondContact O-N 2.88Å; D137-R141 PolarHBondContact O-NH1 3.08Å; D137-R141 VanDerWaalsContact O-NH1 3.14Å
138	Y	98.4	Very high	97.7	Very high	12 Å²	12	70.9 Å²	70.9	5%	0.047	34%	0.336	C	S	.	.	H	α-helix	trans	-63.9	-52.9	172.8	178.1	-85.5	0	0	0	112.2	F94 V97 N98 L117 E134 A135 F136 A140 R141 K142	F94-Y138 HydrophobicContact CE2-CG 4.41Å; F94-Y138 HydrophobicContact CZ-CD2 4.4Å; F94-Y138 HydrophobicContact CZ-CG 4.05Å; V97-Y138 HydrophobicContact CG1-CE1 3.63Å; N98-Y138 WeakPolarHBondContact OD1-CE2 3.1Å; N98-Y138 PolarHBondContact OD1-OH 3.1Å; L117-Y138 HydrophobicContact CD2-CD1 3.83Å; L117-Y138 HydrophobicContact CD2-CE1 4.39Å; E134-Y138 WeakPolarHBondContact O-CB 3.46Å; E134-Y138 PolarHBondContact O-N 3.38Å; A135-Y138 WeakPolarHBondContact O-CB 3.48Å; A135-Y138 PolarHBondContact O-N 2.93Å; F136-Y138 PolarHBondContact O-N 3.2Å; Y138-A140 VanDerWaalsContact C-N 3.31Å; Y138-A140 PolarHBondContact O-N 2.79Å; Y138-R141 PolarHBondContact O-N 2.95Å; Y138-R141 VanDerWaalsContact O-N 3.16Å; Y138-K142 HydrophobicContact CD1-CG 4.29Å; Y138-K142 HydrophobicContact CE1-CG 3.79Å; Y138-K142 HydrophobicContact CE2-CG 4.42Å; Y138-K142 PolarHBondContact O-N 2.97Å; Y138-K142 VanDerWaalsContact O-N 3.09Å; Y138-K142 WeakPolarHBondContact OH-CE 3.28Å
139	A	98.1	Very high	97.7	Very high	3 Å²	3	67.9 Å²	67.9	3%	0.025	33%	0.325	C	S	.	.	H	α-helix	trans	-60.8	-41.6	-178.8	0	0	0	0	0	111.8	L117 A135 F136 R141 K142 N143 I144	L117-A139 HydrophobicContact CD2-CB 4.07Å; A135-A139 PolarHBondContact O-N 3.43Å; F136-A139 PolarHBondContact O-N 3.39Å; A139-R141 PolarHBondContact O-N 3.09Å; A139-K142 CarbonylContact O-C 3.53Å; A139-K142 PolarHBondContact O-N 3.16Å; A139-K142 VanDerWaalsContact O-N 3.1Å; A139-N143 PolarHBondContact O-N 2.95Å; A139-I144 HydrophobicContact CB-CG1 3.96Å; A139-I144 PolarHBondContact O-N 3.14Å; A139-I144 VanDerWaalsContact O-N 3.08Å
140	A	97.6	Very high	97.7	Very high	60 Å²	60	62.9 Å²	62.9	50%	0.496	30%	0.298	S	S	.	.	H	α-helix	trans	-59.3	-43.3	174.7	0	0	0	0	0	112.4	F136 Y138 K142 N143	F136-A140 WeakPolarHBondContact O-CB 3.3Å; F136-A140 PolarHBondContact O-N 3.13Å; Y138-A140 VanDerWaalsContact C-N 3.31Å; Y138-A140 PolarHBondContact O-N 2.79Å; A140-K142 VanDerWaalsContact C-N 3.28Å; A140-K142 PolarHBondContact O-N 2.87Å; A140-N143 PolarHBondContact O-N 3.41Å
141	R	97	Very high	97.7	Very high	178 Å²	178	63 Å²	63	67%	0.672	30%	0.299	S	S	*	.	H	α-helix	trans	-64.7	-31	175.4	-75.4	-171.4	-55.9	-89.3	4.9	113.2	D137 Y138 A139	D137-R141 WeakPolarHBondContact O-CG 3.19Å; D137-R141 PolarHBondContact O-N 2.88Å; D137-R141 PolarHBondContact O-NH1 3.08Å; D137-R141 VanDerWaalsContact O-NH1 3.14Å; Y138-R141 PolarHBondContact O-N 2.95Å; Y138-R141 VanDerWaalsContact O-N 3.16Å; A139-R141 PolarHBondContact O-N 3.09Å
142	K	95.2	Very high	97.7	Very high	83 Å²	83	65.5 Å²	65.5	36%	0.361	30%	0.303	S	S	.	.	H	α-helix	trans	-88.2	-4.4	177.7	-64.9	-62.3	-172.4	172.8	0	113.2	M101 Y138 A139 A140 I144	M101-K142 HydrophobicContact CE-CB 4Å; M101-K142 HydrophobicContact CE-CD 4.12Å; M101-K142 HydrophobicContact CE-CG 4.14Å; Y138-K142 HydrophobicContact CD1-CG 4.29Å; Y138-K142 HydrophobicContact CE1-CG 3.79Å; Y138-K142 HydrophobicContact CE2-CG 4.42Å; Y138-K142 PolarHBondContact O-N 2.97Å; Y138-K142 VanDerWaalsContact O-N 3.09Å; Y138-K142 WeakPolarHBondContact OH-CE 3.28Å; A139-K142 CarbonylContact O-C 3.53Å; A139-K142 PolarHBondContact O-N 3.16Å; A139-K142 VanDerWaalsContact O-N 3.1Å; A140-K142 VanDerWaalsContact C-N 3.28Å; A140-K142 PolarHBondContact O-N 2.87Å; K142-I144 VanDerWaalsContact C-N 3.33Å; K142-I144 HydrophobicContact CB-CD1 4.09Å; K142-I144 HydrophobicContact CB-CG1 4.02Å; K142-I144 HydrophobicContact CB-CG2 4.44Å
143	N	95.1	Very high	97.6	Very high	152 Å²	152	64.2 Å²	64.2	81%	0.813	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.2	45.3	-175	-167.6	53.6	0	0	0	112.7	A139 A140	A139-N143 PolarHBondContact O-N 2.95Å; A140-N143 PolarHBondContact O-N 3.41Å
144	I	96.4	Very high	97.6	Very high	24 Å²	24	58.3 Å²	58.3	12%	0.123	29%	0.286	C	S	.	.			trans	-125.3	159.1	177.1	64.5	180	0	0	0	110.2	M101 I115 L117 A139 K142	M101-I144 HydrophobicContact CE-CD1 4.26Å; M101-I144 HydrophobicContact CE-CG2 4.41Å; M101-I144 HydrophobicContact SD-CD1 4.28Å; I115-I144 HydrophobicContact CB-CG2 3.91Å; I115-I144 HydrophobicContact CG2-CD1 4.2Å; I115-I144 HydrophobicContact CG2-CG2 4.26Å; L117-I144 HydrophobicContact CB-CD1 3.92Å; L117-I144 HydrophobicContact CB-CG1 4.48Å; A139-I144 HydrophobicContact CB-CG1 3.96Å; A139-I144 PolarHBondContact O-N 3.14Å; A139-I144 VanDerWaalsContact O-N 3.08Å; K142-I144 VanDerWaalsContact C-N 3.33Å; K142-I144 HydrophobicContact CB-CD1 4.09Å; K142-I144 HydrophobicContact CB-CG1 4.02Å; K142-I144 HydrophobicContact CB-CG2 4.44Å
145	E	96.7	Very high	97.6	Very high	119 Å²	119	59.5 Å²	59.5	56%	0.556	29%	0.291	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.8	147.1	176.2	-169.8	168.3	-177.7	0	0	111.2	L117 I147	L117-E145 WeakPolarHBondContact CB-O 3.37Å; L117-E145 PolarHBondContact N-O 2.99Å; E145-I147 HydrophobicContact CG-CD1 4.24Å; E145-I147 HydrophobicContact CG-CG1 4.02Å
146	Y	98.5	Very high	97.6	Very high	39 Å²	39	62 Å²	62	15%	0.153	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	125.7	173.6	173.7	-124.9	0	0	0	110.8	F86 L117 A135 F136 E148	F86-Y146 AromaticContact CE1-CE2 3.76Å; F86-Y146 HydrophobicContact CE1-CE2 3.76Å; F86-Y146 AromaticContact CZ-CE2 3.81Å; F86-Y146 HydrophobicContact CZ-CE2 3.81Å; L117-Y146 HydrophobicContact CB-CD2 4.26Å; L117-Y146 HydrophobicContact CD2-CD2 3.91Å; L117-Y146 HydrophobicContact CD2-CE2 4.49Å; L117-Y146 HydrophobicContact CG-CD2 3.93Å; L117-Y146 HydrophobicContact CG-CE2 4.5Å; L117-Y146 WeakPolarHBondContact O-CA 3.45Å; L117-Y146 WeakPolarHBondContact O-CD2 3.28Å; A135-Y146 HydrophobicContact CB-CD1 4.39Å; A135-Y146 HydrophobicContact CB-CD2 4.29Å; A135-Y146 HydrophobicContact CB-CE1 3.8Å; A135-Y146 HydrophobicContact CB-CE2 3.69Å; A135-Y146 WeakPolarHBondContact CB-OH 3.31Å; F136-Y146 HydrophobicContact CB-CD1 4.24Å; Y146-E148 HydrophobicContact CE1-CG 3.89Å; Y146-E148 HydrophobicContact CE2-CG 4.3Å; Y146-E148 WeakPolarHBondContact OH-CG 3.43Å; Y146-E148 PolarHBondContact OH-OE1 3.04Å
147	I	98.6	Very high	97.6	Very high	16 Å²	16	56.1 Å²	56.1	8%	0.082	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	127.8	-179.4	-56.1	180	0	0	0	109.5	I116 L117 V118 G119 E145 T149 N156 Q159	I116-I147 HydrophobicContact CG2-CD1 3.98Å; I116-I147 HydrophobicContact CG2-CG1 4.16Å; L117-I147 PolarHBondContact O-N 3.31Å; V118-I147 CarbonylContact C-O 3.46Å; V118-I147 VanDerWaalsContact CA-O 3.31Å; V118-I147 WeakPolarHBondContact CA-O 3.47Å; G119-I147 PolarHBondContact N-O 3.18Å; E145-I147 HydrophobicContact CG-CD1 4.24Å; E145-I147 HydrophobicContact CG-CG1 4.02Å; I147-T149 HydrophobicContact CG2-CG2 3.95Å; I147-N156 HydrophobicContact CG2-CB 4Å; I147-Q159 VanDerWaalsContact CD1-C 3.49Å; I147-Q159 HydrophobicContact CD1-CB 4.18Å; I147-Q159 WeakPolarHBondContact CD1-O 3.44Å; I147-Q159 HydrophobicContact CG2-CB 4.41Å
148	E	98.7	Very high	97.4	Very high	29 Å²	29	58.9 Å²	58.9	14%	0.136	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	131.2	170.1	-78	-155.1	156	0	0	110.8	G119 V122 R128 Q132 Y146 N156	G119-E148 CarbonylContact O-C 3.36Å; G119-E148 WeakPolarHBondContact O-CA 3.2Å; V122-E148 HydrophobicContact CG1-CB 3.66Å; V122-E148 HydrophobicContact CG1-CG 4.08Å; R128-E148 IonicContact CZ-OE1 3.26Å; R128-E148 VanDerWaalsContact CZ-OE1 3.26Å; R128-E148 IonicContact CZ-OE2 3.95Å; R128-E148 IonicContact NH1-OE1 2.77Å; R128-E148 PolarHBondContact NH1-OE1 3.29Å; R128-E148 IonicContact NH2-OE1 2.86Å; R128-E148 PolarHBondContact NH2-OE1 2.99Å; R128-E148 IonicContact NH2-OE2 2.9Å; R128-E148 PolarHBondContact NH2-OE2 2.93Å; Q132-E148 WeakPolarHBondContact CG-OE1 3.5Å; Q132-E148 PolarHBondContact NE2-OE2 3.4Å; Y146-E148 HydrophobicContact CE1-CG 3.89Å; Y146-E148 HydrophobicContact CE2-CG 4.3Å; Y146-E148 WeakPolarHBondContact OH-CG 3.43Å; Y146-E148 PolarHBondContact OH-OE1 3.04Å; E148-N156 VanDerWaalsContact O-CB 3.28Å; E148-N156 WeakPolarHBondContact O-CB 3.48Å; E148-N156 PolarHBondContact O-ND2 2.78Å
149	T	98.8	Very high	97.3	Very high	0 Å²	0	63.1 Å²	63.1	0%	0	31%	0.31	C	S	.	.			trans	-131.6	159.6	-174.9	61.5	0	0	0	0	112.7	V118 G119 N120 K121 V122 I147 H155 N156	V118-T149 HydrophobicContact CG1-CG2 3.68Å; V118-T149 WeakPolarHBondContact CG1-OG1 3.46Å; G119-T149 PolarHBondContact O-N 3.41Å; N120-T149 CarbonylContact C-O 3.59Å; N120-T149 WeakPolarHBondContact CA-O 3.39Å; N120-T149 WeakPolarHBondContact CA-OG1 3.47Å; N120-T149 PolarHBondContact OD1-O 3.42Å; N120-T149 PolarHBondContact OD1-OG1 2.94Å; K121-T149 PolarHBondContact N-O 3.3Å; V122-T149 WeakPolarHBondContact CG2-O 3.47Å; V122-T149 PolarHBondContact N-O 3.1Å; V122-T149 VanDerWaalsContact N-O 3.11Å; I147-T149 HydrophobicContact CG2-CG2 3.95Å; T149-H155 CarbonylContact C-O 3.55Å; T149-H155 VanDerWaalsContact CA-O 3.26Å; T149-H155 WeakPolarHBondContact CA-O 3.42Å; T149-N156 HydrophobicContact CG2-CB 4.12Å; T149-N156 WeakPolarHBondContact CG2-O 3.39Å
150	S	98.4	Very high	97.2	Very high	0 Å²	0	63.1 Å²	63.1	0%	0	31%	0.31	C	S	.	.	B	Isolated β-bridge	trans	-134.5	112.5	160.8	173.5	0	0	0	0	108.8	D123 K152 T153 N154 H155	D123-S150 VanDerWaalsContact CG-OG 3.26Å; D123-S150 WeakPolarHBondContact OD1-CB 3.29Å; D123-S150 PolarHBondContact OD1-OG 2.95Å; S150-K152 PolarHBondContact O-N 3.22Å; S150-K152 PolarHBondContact OG-N 2.94Å; S150-T153 VanDerWaalsContact CB-OG1 3.25Å; S150-T153 WeakPolarHBondContact CB-OG1 3.32Å; S150-T153 PolarHBondContact O-N 3.48Å; S150-T153 PolarHBondContact OG-N 3.39Å; S150-T153 VanDerWaalsContact OG-N 3.17Å; S150-T153 PolarHBondContact OG-OG1 2.96Å; S150-N154 WeakPolarHBondContact O-CA 3.35Å; S150-N154 PolarHBondContact O-N 3.35Å; S150-N154 VanDerWaalsContact O-N 3.08Å; S150-H155 PolarHBondContact N-O 3.27Å; S150-H155 PolarHBondContact O-N 3.3Å
151	A	97.3	Very high	97.1	Very high	3 Å²	3	60.6 Å²	60.6	3%	0.025	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-34.2	168.2	0	0	0	0	0	111.6	A22 L23 Q26 F32 N120	A22-A151 HydrophobicContact CB-CB 3.61Å; L23-A151 HydrophobicContact CD2-CB 3.89Å; L23-A151 HydrophobicContact CG-CB 4.09Å; Q26-A151 WeakPolarHBondContact CG-O 3.45Å; Q26-A151 PolarHBondContact NE2-O 2.77Å; F32-A151 HydrophobicContact CD2-CB 4.22Å; F32-A151 WeakPolarHBondContact CD2-O 3.03Å; F32-A151 HydrophobicContact CE2-CB 4.31Å; N120-A151 PolarHBondContact OD1-N 3.25Å
152	K	97.1	Very high	96.8	Very high	108 Å²	108	55.6 Å²	55.6	47%	0.47	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-42	-177.1	-175.5	175.9	-175.4	168.8	0	113.4	F32 D123 S150	F32-K152 HydrophobicContact CD1-CG 4.17Å; F32-K152 VanDerWaalsContact CD2-CA 3.47Å; F32-K152 HydrophobicContact CD2-CB 4.17Å; F32-K152 HydrophobicContact CE1-CB 4.25Å; F32-K152 HydrophobicContact CE1-CD 4.42Å; F32-K152 HydrophobicContact CE1-CG 3.91Å; F32-K152 HydrophobicContact CE2-CB 3.87Å; F32-K152 HydrophobicContact CE2-CG 4.44Å; F32-K152 HydrophobicContact CG-CB 4.46Å; F32-K152 HydrophobicContact CZ-CB 3.92Å; F32-K152 HydrophobicContact CZ-CD 4.48Å; F32-K152 HydrophobicContact CZ-CG 4.06Å; D123-K152 WeakPolarHBondContact OD2-CD 3.34Å; S150-K152 PolarHBondContact O-N 3.22Å; S150-K152 PolarHBondContact OG-N 2.94Å
153	T	97.1	Very high	96.9	Very high	87 Å²	87	54.2 Å²	54.2	53%	0.534	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.1	7.9	-175.8	63.2	0	0	0	0	113.3	D123 S150 H155	D123-T153 HydrophobicContact CB-CG2 4Å; S150-T153 VanDerWaalsContact CB-OG1 3.25Å; S150-T153 WeakPolarHBondContact CB-OG1 3.32Å; S150-T153 PolarHBondContact O-N 3.48Å; S150-T153 PolarHBondContact OG-N 3.39Å; S150-T153 VanDerWaalsContact OG-N 3.17Å; S150-T153 PolarHBondContact OG-OG1 2.96Å; T153-H155 PolarHBondContact O-N 3.16Å; T153-H155 WeakPolarHBondContact OG1-CB 3.19Å
154	N	97.4	Very high	97	Very high	65 Å²	65	49.1 Å²	49.1	35%	0.348	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.8	28.4	-171	-160	7.1	0	0	0	112.9	Q26 D30 S150 N156 V157	Q26-N154 HydrophobicContact CG-CB 4.09Å; D30-N154 PolarHBondContact OD1-ND2 2.76Å; S150-N154 WeakPolarHBondContact O-CA 3.35Å; S150-N154 PolarHBondContact O-N 3.35Å; S150-N154 VanDerWaalsContact O-N 3.08Å; N154-N156 PolarHBondContact O-N 3.46Å; N154-V157 VanDerWaalsContact OD1-CB 3.32Å; N154-V157 WeakPolarHBondContact OD1-CB 3.48Å; N154-V157 WeakPolarHBondContact OD1-CG2 3.36Å
155	H	98.4	Very high	97	Very high	87 Å²	87	50.4 Å²	50.4	40%	0.403	25%	0.248	S	C	.	.	B	Isolated β-bridge	trans	-77.6	120.6	-179.8	-175.8	72.3	0	0	0	110.1	T149 S150 T153 V157	T149-H155 CarbonylContact C-O 3.55Å; T149-H155 VanDerWaalsContact CA-O 3.26Å; T149-H155 WeakPolarHBondContact CA-O 3.42Å; S150-H155 PolarHBondContact N-O 3.27Å; S150-H155 PolarHBondContact O-N 3.3Å; T153-H155 PolarHBondContact O-N 3.16Å; T153-H155 WeakPolarHBondContact OG1-CB 3.19Å; H155-V157 PolarHBondContact O-N 3.03Å; H155-V157 VanDerWaalsContact O-N 3.08Å
156	N	98.2	Very high	97	Very high	53 Å²	53	46.4 Å²	46.4	28%	0.283	23%	0.23	S	C	.	.	S	Bend	trans	54.8	18.6	178.3	-63.1	-20.4	0	0	0	115.8	I147 E148 T149 N154 Q158 Q159 G160	I147-N156 HydrophobicContact CG2-CB 4Å; E148-N156 VanDerWaalsContact O-CB 3.28Å; E148-N156 WeakPolarHBondContact O-CB 3.48Å; E148-N156 PolarHBondContact O-ND2 2.78Å; T149-N156 HydrophobicContact CG2-CB 4.12Å; T149-N156 WeakPolarHBondContact CG2-O 3.39Å; N154-N156 PolarHBondContact O-N 3.46Å; N156-Q158 VanDerWaalsContact C-N 3.34Å; N156-Q158 PolarHBondContact O-N 2.93Å; N156-Q159 VanDerWaalsContact CA-OE1 3.27Å; N156-Q159 PolarHBondContact O-N 2.99Å; N156-G160 PolarHBondContact O-N 3.28Å
157	V	97.6	Very high	96.9	Very high	1 Å²	1	46.9 Å²	46.9	1%	0.006	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-41.8	-174.9	173.1	0	0	0	0	111.6	L23 Q26 F27 N154 H155 G160 I161	L23-V157 HydrophobicContact CD2-CG1 4.45Å; L23-V157 HydrophobicContact CD2-CG2 3.94Å; Q26-V157 HydrophobicContact CB-CG1 4.22Å; Q26-V157 HydrophobicContact CG-CB 4.41Å; Q26-V157 HydrophobicContact CG-CG1 4.16Å; Q26-V157 HydrophobicContact CG-CG2 3.92Å; F27-V157 HydrophobicContact CB-CG1 3.8Å; N154-V157 VanDerWaalsContact OD1-CB 3.32Å; N154-V157 WeakPolarHBondContact OD1-CB 3.48Å; N154-V157 WeakPolarHBondContact OD1-CG2 3.36Å; H155-V157 PolarHBondContact O-N 3.03Å; H155-V157 VanDerWaalsContact O-N 3.08Å; V157-G160 PolarHBondContact O-N 3.2Å; V157-I161 HydrophobicContact CG1-CD1 4.07Å; V157-I161 PolarHBondContact O-N 3.11Å
158	Q	95.5	Very high	96.8	Very high	118 Å²	118	48.9 Å²	48.9	55%	0.551	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-46.1	176.7	-176.1	172	-9.8	0	0	111.6	F27 N156 G160 I161 L162	F27-Q158 HydrophobicContact CE2-CG 4.44Å; N156-Q158 VanDerWaalsContact C-N 3.34Å; N156-Q158 PolarHBondContact O-N 2.93Å; Q158-G160 VanDerWaalsContact C-N 3.31Å; Q158-G160 PolarHBondContact O-N 3.12Å; Q158-I161 PolarHBondContact O-N 3.44Å; Q158-L162 HydrophobicContact CG-CD1 3.94Å; Q158-L162 WeakPolarHBondContact O-CB 3.3Å; Q158-L162 PolarHBondContact O-N 3.18Å
159	Q	95.7	Very high	96.7	Very high	100 Å²	100	50.4 Å²	50.4	47%	0.467	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-37.2	178	-65.1	81.7	-8.7	0	0	111.4	I147 N156 I161	I147-Q159 VanDerWaalsContact CD1-C 3.49Å; I147-Q159 HydrophobicContact CD1-CB 4.18Å; I147-Q159 WeakPolarHBondContact CD1-O 3.44Å; I147-Q159 HydrophobicContact CG2-CB 4.41Å; N156-Q159 VanDerWaalsContact CA-OE1 3.27Å; N156-Q159 PolarHBondContact O-N 2.99Å; Q159-I161 PolarHBondContact O-N 2.79Å
160	G	96.5	Very high	96.5	Very high	3 Å²	3	54.2 Å²	54.2	3%	0.031	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-10.6	177.5	0	0	0	0	0	114.8	V118 N156 V157 Q158	V118-G160 WeakPolarHBondContact CG2-O 3.47Å; N156-G160 PolarHBondContact O-N 3.28Å; V157-G160 PolarHBondContact O-N 3.2Å; Q158-G160 VanDerWaalsContact C-N 3.31Å; Q158-G160 PolarHBondContact O-N 3.12Å
161	I	94.3	Very high	96.4	Very high	7 Å²	7	58.8 Å²	58.8	4%	0.036	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.4	-28.2	-176.3	-68.8	165.6	0	0	0	112.9	L10 F27 V59 I83 V157 Q158 Q159	L10-I161 HydrophobicContact CD1-CG2 3.97Å; L10-I161 VanDerWaalsContact CD1-O 3.24Å; L10-I161 WeakPolarHBondContact CD1-O 3.24Å; F27-I161 HydrophobicContact CB-CD1 3.3Å; F27-I161 HydrophobicContact CD1-CD1 4.15Å; F27-I161 HydrophobicContact CD1-CG2 3.97Å; F27-I161 HydrophobicContact CD2-CB 4.19Å; F27-I161 HydrophobicContact CD2-CD1 3.96Å; F27-I161 HydrophobicContact CD2-CG2 4.13Å; F27-I161 HydrophobicContact CE1-CG2 3.86Å; F27-I161 HydrophobicContact CE2-CB 4.34Å; F27-I161 HydrophobicContact CE2-CG2 4.03Å; F27-I161 HydrophobicContact CG-CB 4.39Å; F27-I161 HydrophobicContact CG-CD1 3.54Å; F27-I161 HydrophobicContact CG-CG2 4.1Å; F27-I161 HydrophobicContact CZ-CG2 3.89Å; V59-I161 HydrophobicContact CG2-CG2 4.34Å; I83-I161 HydrophobicContact CD1-CB 4.14Å; I83-I161 HydrophobicContact CD1-CG1 3.95Å; I83-I161 HydrophobicContact CD1-CG2 4.09Å; V157-I161 HydrophobicContact CG1-CD1 4.07Å; V157-I161 PolarHBondContact O-N 3.11Å; Q158-I161 PolarHBondContact O-N 3.44Å; Q159-I161 PolarHBondContact O-N 2.79Å
162	L	91.2	Very high	96.3	Very high	73 Å²	73	63.8 Å²	63.8	38%	0.382	32%	0.319	S	S	.	.			trans	-121.3	0	-175.5	-61.7	-179.4	0	0	0	112.5	F27 V48 L50 V57 Q158	F27-L162 HydrophobicContact CE2-CD1 3.71Å; F27-L162 HydrophobicContact CE2-CD2 4.41Å; F27-L162 HydrophobicContact CE2-CG 3.82Å; F27-L162 HydrophobicContact CZ-CD1 3.83Å; F27-L162 HydrophobicContact CZ-CD2 3.93Å; F27-L162 HydrophobicContact CZ-CG 3.85Å; V48-L162 HydrophobicContact CB-CD1 4.32Å; V48-L162 HydrophobicContact CG1-CD1 4.22Å; V48-L162 HydrophobicContact CG2-CD1 4.3Å; V48-L162 HydrophobicContact CG2-CD2 4.45Å; L50-L162 HydrophobicContact CD1-CD2 4.25Å; L50-L162 HydrophobicContact CD2-CB 4.02Å; L50-L162 HydrophobicContact CD2-CD1 3.79Å; L50-L162 HydrophobicContact CD2-CD2 4.23Å; L50-L162 HydrophobicContact CD2-CG 4.23Å; V57-L162 HydrophobicContact CG1-CD2 4.35Å; V57-L162 HydrophobicContact CG2-CD2 3.84Å; Q158-L162 HydrophobicContact CG-CD1 3.94Å; Q158-L162 WeakPolarHBondContact O-CB 3.3Å; Q158-L162 PolarHBondContact O-N 3.18Å

Retrieved 162 of 162 residues in 90.8 ms (Link to these results)

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